smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CCCOC(=O)C1CCC1 32227655 697619536 /nfs/dbraw/zinc/61/95/36/697619536.db2.gz ASTHAOSLVNKWLC-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CCC(=O)Oc1cccc(CC)c1 33364584 697619582 /nfs/dbraw/zinc/61/95/82/697619582.db2.gz IHWMLAOSOIZYLB-UHFFFAOYSA-N 0 0 178.231 2.564 10 0 AFAERN CCN(CC)C(=S)SC(C)C 32161932 697619598 /nfs/dbraw/zinc/61/95/98/697619598.db2.gz AIFGNPOVOGXDOJ-UHFFFAOYSA-N 0 0 191.365 2.755 10 0 AFAERN CC[C@H](C)C(=O)O[C@H](C)C(C)C 33608160 697619602 /nfs/dbraw/zinc/61/96/02/697619602.db2.gz AVTPHFBHRSGVRP-DTWKUNHWSA-N 0 0 172.268 2.620 10 0 AFAERN O=C(OC1CCC1)c1cccc(F)c1 32148396 697619608 /nfs/dbraw/zinc/61/96/08/697619608.db2.gz OFDGRTXRTLNHKH-UHFFFAOYSA-N 0 0 194.205 2.535 10 0 AFAERN CCCCOC(=O)c1cccc(F)c1 32148188 697619739 /nfs/dbraw/zinc/61/97/39/697619739.db2.gz GLHICILXOGJFNN-UHFFFAOYSA-N 0 0 196.221 2.783 10 0 AFAERN CCC(=O)O[C@@H](C)Cc1ccccc1 34256419 697620107 /nfs/dbraw/zinc/62/01/07/697620107.db2.gz QTYQSMTXASOWLJ-JTQLQIEISA-N 0 0 192.258 2.571 10 0 AFAERN CCC(=O)O[C@H](C)Cc1ccccc1 34256421 697620124 /nfs/dbraw/zinc/62/01/24/697620124.db2.gz QTYQSMTXASOWLJ-SNVBAGLBSA-N 0 0 192.258 2.571 10 0 AFAERN CCCCC[C@H](C)Nc1cccnn1 52831108 697621581 /nfs/dbraw/zinc/62/15/81/697621581.db2.gz PUMSGGLCJPBJBY-JTQLQIEISA-N 0 0 193.294 2.857 10 0 AFAERN CCCCC[C@@H](C)Nc1cccnn1 52831106 697621723 /nfs/dbraw/zinc/62/17/23/697621723.db2.gz PUMSGGLCJPBJBY-SNVBAGLBSA-N 0 0 193.294 2.857 10 0 AFAERN CC/C=C(\C)C(=O)OCCCC 59171980 697623278 /nfs/dbraw/zinc/62/32/78/697623278.db2.gz BRXFENMLKWDJKF-VQHVLOKHSA-N 0 0 170.252 2.686 10 0 AFAERN CCCCNc1ccc(N(C)C)cc1 58341144 697623570 /nfs/dbraw/zinc/62/35/70/697623570.db2.gz FNZUEVNNDKNKAK-UHFFFAOYSA-N 0 0 192.306 2.965 10 0 AFAERN O=C(CCC1CC1)Oc1ccccc1 59062005 697623629 /nfs/dbraw/zinc/62/36/29/697623629.db2.gz BDJANGYYBXNYAF-UHFFFAOYSA-N 0 0 190.242 2.782 10 0 AFAERN CC/C=C(\C)C(=O)Oc1ccccc1 77949116 697626466 /nfs/dbraw/zinc/62/64/66/697626466.db2.gz WIYYSBUBWCKNDC-JXMROGBWSA-N 0 0 190.242 2.948 10 0 AFAERN Cc1cc(OCC2CC2)ccc1C=O 85873683 697628851 /nfs/dbraw/zinc/62/88/51/697628851.db2.gz FEIJFHBXMFYREV-UHFFFAOYSA-N 0 0 190.242 2.596 10 0 AFAERN CC(=O)O[C@H](C)c1cccc(C)c1C 113145649 697636243 /nfs/dbraw/zinc/63/62/43/697636243.db2.gz BILXNWVOHDAWEE-SNVBAGLBSA-N 0 0 192.258 2.928 10 0 AFAERN CC/C=C(/C)C(=O)OCCCC 113690893 697636517 /nfs/dbraw/zinc/63/65/17/697636517.db2.gz BRXFENMLKWDJKF-CLFYSBASSA-N 0 0 170.252 2.686 10 0 AFAERN CSCCC(F)=C(F)F 115039849 697637079 /nfs/dbraw/zinc/63/70/79/697637079.db2.gz DSAWRUBGAKYYSL-UHFFFAOYSA-N 0 0 156.172 2.817 10 0 AFAERN CC(C)OC(=O)N1CCCCC[C@H]1C 127441087 697641233 /nfs/dbraw/zinc/64/12/33/697641233.db2.gz FXTFMEBNOWDCDN-SNVBAGLBSA-N 0 0 199.294 2.796 10 0 AFAERN CC(C)OC(=O)N[C@H](C)C(C)(C)C 127792687 697641259 /nfs/dbraw/zinc/64/12/59/697641259.db2.gz DGLGVCZDITYUBR-MRVPVSSYSA-N 0 0 187.283 2.556 10 0 AFAERN CC(C)OC(=O)N1CC[C@@H](C(C)C)C1 127784754 697641289 /nfs/dbraw/zinc/64/12/89/697641289.db2.gz SIEOQEJZTCMKNG-SNVBAGLBSA-N 0 0 199.294 2.509 10 0 AFAERN CC(C)OC(=O)N1CCCCC[C@@H]1C 127441316 697641371 /nfs/dbraw/zinc/64/13/71/697641371.db2.gz FXTFMEBNOWDCDN-JTQLQIEISA-N 0 0 199.294 2.796 10 0 AFAERN CC(C)OC(=O)N1CC[C@H](C(C)C)C1 127784986 697641506 /nfs/dbraw/zinc/64/15/06/697641506.db2.gz SIEOQEJZTCMKNG-JTQLQIEISA-N 0 0 199.294 2.509 10 0 AFAERN CCN(C(=O)OC)c1ccc(C)cc1 135966110 697645291 /nfs/dbraw/zinc/64/52/91/697645291.db2.gz SVXNBQQFXAWXEL-UHFFFAOYSA-N 0 0 193.246 2.588 10 0 AFAERN CC/C=C(/C)C(=O)OCC(C)C 138279775 697647881 /nfs/dbraw/zinc/64/78/81/697647881.db2.gz BFCHWYBPIIFERM-TWGQIWQCSA-N 0 0 170.252 2.542 10 0 AFAERN CCc1ccccc1OC(=O)C(C)C 140185201 697648490 /nfs/dbraw/zinc/64/84/90/697648490.db2.gz SDEMPBFBLUWMEO-UHFFFAOYSA-N 0 0 192.258 2.810 10 0 AFAERN Cc1cc(OCCCF)ccc1C=O 143915499 697650588 /nfs/dbraw/zinc/65/05/88/697650588.db2.gz QZJHAYVFJMTFFM-UHFFFAOYSA-N 0 0 196.221 2.546 10 0 AFAERN CCCOC(=O)Cc1ccc(C)s1 146214835 697652163 /nfs/dbraw/zinc/65/21/63/697652163.db2.gz QSFULBSDLCQYQM-UHFFFAOYSA-N 0 0 198.287 2.552 10 0 AFAERN CC/C=C(\C)C(=O)OCC(C)C 146554417 697652253 /nfs/dbraw/zinc/65/22/53/697652253.db2.gz BFCHWYBPIIFERM-RMKNXTFCSA-N 0 0 170.252 2.542 10 0 AFAERN CCCC(=O)Oc1ccccc1CC 147083526 697652676 /nfs/dbraw/zinc/65/26/76/697652676.db2.gz IAJNFGSAQDDBSS-UHFFFAOYSA-N 0 0 192.258 2.955 10 0 AFAERN O=C(/C=C/C1CC1)Oc1ccccc1 146850095 697653119 /nfs/dbraw/zinc/65/31/19/697653119.db2.gz WNWUIJMRJMFDHN-CMDGGOBGSA-N 0 0 188.226 2.558 10 0 AFAERN O=C(Oc1ccc(F)cc1)C1CCC1 147650024 697653376 /nfs/dbraw/zinc/65/33/76/697653376.db2.gz HYKDFXYXORYNQU-UHFFFAOYSA-N 0 0 194.205 2.531 10 0 AFAERN CCC/C(C)=C/C(=O)OC(C)C 148033522 697654226 /nfs/dbraw/zinc/65/42/26/697654226.db2.gz GOIZTMIJGKULNA-VQHVLOKHSA-N 0 0 170.252 2.684 10 0 AFAERN C/C=C(\C)C(=O)OCC(C)(C)CC 148621253 697655214 /nfs/dbraw/zinc/65/52/14/697655214.db2.gz OFUOLNQPFROLJO-RMKNXTFCSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(/C)C(=O)OCC(C)(C)CC 148621057 697655483 /nfs/dbraw/zinc/65/54/83/697655483.db2.gz OFUOLNQPFROLJO-TWGQIWQCSA-N 0 0 184.279 2.932 10 0 AFAERN CC(C)COC(=O)[C@H](C)CC(C)C 165490341 697670506 /nfs/dbraw/zinc/67/05/06/697670506.db2.gz JOOUNQSVQQQQFA-SNVBAGLBSA-N 0 0 186.295 2.868 10 0 AFAERN C=C(C)COC(=O)[C@H]1CCCC[C@H]1C 166382912 697672028 /nfs/dbraw/zinc/67/20/28/697672028.db2.gz AIFDDOBZKPFINS-MNOVXSKESA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)COC(=O)[C@@H](C)CC(C)C 165490211 697670169 /nfs/dbraw/zinc/67/01/69/697670169.db2.gz JOOUNQSVQQQQFA-JTQLQIEISA-N 0 0 186.295 2.868 10 0 AFAERN CCC[C@@H](CC)OC(=O)C(C)C 165642044 697670840 /nfs/dbraw/zinc/67/08/40/697670840.db2.gz VZZDUJNRNFKSFD-SECBINFHSA-N 0 0 172.268 2.764 10 0 AFAERN CCC[C@H](CC)OC(=O)C(C)C 165642177 697671319 /nfs/dbraw/zinc/67/13/19/697671319.db2.gz VZZDUJNRNFKSFD-VIFPVBQESA-N 0 0 172.268 2.764 10 0 AFAERN C=C(C)COC(=O)[C@@H]1CCCC[C@@H]1C 166383249 697672036 /nfs/dbraw/zinc/67/20/36/697672036.db2.gz AIFDDOBZKPFINS-WDEREUQCSA-N 0 0 196.290 2.932 10 0 AFAERN C=C(C)COC(=O)[C@@H]1CCCC[C@H]1C 166383129 697672243 /nfs/dbraw/zinc/67/22/43/697672243.db2.gz AIFDDOBZKPFINS-GHMZBOCLSA-N 0 0 196.290 2.932 10 0 AFAERN C=C(C)COC(=O)[C@H]1CCCC[C@@H]1C 166383021 697672282 /nfs/dbraw/zinc/67/22/82/697672282.db2.gz AIFDDOBZKPFINS-QWRGUYRKSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)C(=O)OC[C@@H]1CC=CCC1 166920866 697674889 /nfs/dbraw/zinc/67/48/89/697674889.db2.gz AODAHPNNCNMSFZ-SNVBAGLBSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)=CC(=O)OC[C@H]1CC=CCC1 166921021 697674845 /nfs/dbraw/zinc/67/48/45/697674845.db2.gz DYWXDXIAZQYIFJ-NSHDSACASA-N 0 0 194.274 2.852 10 0 AFAERN CCC(=O)O[C@@H]1CCCC[C@@H]1CC 169048821 697677898 /nfs/dbraw/zinc/67/78/98/697677898.db2.gz SRRFZBHANZUHJW-VHSXEESVSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)CC(=O)OCc1cccs1 196362200 697679877 /nfs/dbraw/zinc/67/98/77/697679877.db2.gz IWVUSNOWQJFUDU-UHFFFAOYSA-N 0 0 198.287 2.837 10 0 AFAERN O=C(Oc1ccccc1)C1=CCCC1 197267602 697680363 /nfs/dbraw/zinc/68/03/63/697680363.db2.gz SNUIZFDEZJPWNB-UHFFFAOYSA-N 0 0 188.226 2.702 10 0 AFAERN C=C1CCC(C(=O)N(CC)CC)CC1 217690520 697685283 /nfs/dbraw/zinc/68/52/83/697685283.db2.gz DGYLOJMVAVGZJJ-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN CC/C(C)=C/C(=O)NC1CCCCC1 219207615 697685822 /nfs/dbraw/zinc/68/58/22/697685822.db2.gz CHGXBRZWMDDDPZ-MDZDMXLPSA-N 0 0 195.306 2.792 10 0 AFAERN CC(C)C1=C[C@H]2CCC[C@H]12 222339794 697686419 /nfs/dbraw/zinc/68/64/19/697686419.db2.gz IOGDQRKNZKNYGN-BDAKNGLRSA-N 0 0 136.238 2.999 10 0 AFAERN CCCOC(=O)[C@@H]1CC=CC[C@H]1C 225523529 697690786 /nfs/dbraw/zinc/69/07/86/697690786.db2.gz LACJQPGZRQDXNL-NXEZZACHSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)(C)CC(C)(C)C(=O)N1CCC1 226085575 697692335 /nfs/dbraw/zinc/69/23/35/697692335.db2.gz XBRKEEUBQZSTIT-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC1(C)CCCC[C@H]1c1cc(N)n[nH]1 226594966 697692728 /nfs/dbraw/zinc/69/27/28/697692728.db2.gz QJJAFHZGIHCSCT-QMMMGPOBSA-N 0 0 193.294 2.676 10 0 AFAERN Cc1c(N)n[nH]c1[C@@H]1CCCC1(C)C 226595595 697692814 /nfs/dbraw/zinc/69/28/14/697692814.db2.gz RBOLNDUDWMFDRJ-QMMMGPOBSA-N 0 0 193.294 2.594 10 0 AFAERN CC1(C)CCCC[C@@H]1c1cc(N)n[nH]1 226594961 697693107 /nfs/dbraw/zinc/69/31/07/697693107.db2.gz QJJAFHZGIHCSCT-MRVPVSSYSA-N 0 0 193.294 2.676 10 0 AFAERN Cc1c(N)n[nH]c1[C@H]1CCCC1(C)C 226595602 697693111 /nfs/dbraw/zinc/69/31/11/697693111.db2.gz RBOLNDUDWMFDRJ-MRVPVSSYSA-N 0 0 193.294 2.594 10 0 AFAERN CC1(CNC(=O)OC(C)(C)C)CCC1 226824917 697694657 /nfs/dbraw/zinc/69/46/57/697694657.db2.gz MIHUNJMKZBOKGE-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CC(C)OC(=O)NCCC1=CCCC1 228652086 697699483 /nfs/dbraw/zinc/69/94/83/697699483.db2.gz PWICVDWYYNBXRT-UHFFFAOYSA-N 0 0 197.278 2.621 10 0 AFAERN CC(C)=CC(=O)O[C@H](C)C(C)C 230624612 697703078 /nfs/dbraw/zinc/70/30/78/697703078.db2.gz KJAJVDYSLRBEOK-SECBINFHSA-N 0 0 170.252 2.540 10 0 AFAERN CC[C@H](C)CC(=O)OCC(F)(F)F 230616300 697703112 /nfs/dbraw/zinc/70/31/12/697703112.db2.gz GRRBUOLEDHAGQX-LURJTMIESA-N 0 0 198.184 2.528 10 0 AFAERN CCC[C@H]1C[C@@H]1Nc1cccc(F)n1 231662825 697704965 /nfs/dbraw/zinc/70/49/65/697704965.db2.gz ZKWSXIGTUMOHKU-IUCAKERBSA-N 0 0 194.253 2.821 10 0 AFAERN CCC[C@@H]1C[C@H]1Nc1cccc(F)n1 231662828 697705029 /nfs/dbraw/zinc/70/50/29/697705029.db2.gz ZKWSXIGTUMOHKU-RKDXNWHRSA-N 0 0 194.253 2.821 10 0 AFAERN CCC[C@H]1C[C@H]1Nc1cccc(F)n1 231662832 697705240 /nfs/dbraw/zinc/70/52/40/697705240.db2.gz ZKWSXIGTUMOHKU-DTWKUNHWSA-N 0 0 194.253 2.821 10 0 AFAERN C/C=C\C(=O)N(C)[C@@H]1CCCC[C@H]1C 252672967 697715232 /nfs/dbraw/zinc/71/52/32/697715232.db2.gz FSARUWJXQNUYFV-HQPPDGJXSA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)c1nccn1C[Si](C)(C)C 306148392 697721160 /nfs/dbraw/zinc/72/11/60/697721160.db2.gz BFQHLMGDLVGLTD-UHFFFAOYSA-N 0 0 196.370 2.884 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)OC1CCC1 306478991 697728458 /nfs/dbraw/zinc/72/84/58/697728458.db2.gz DKEPGCZZTJZMBL-WPRPVWTQSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)OC1CCC1 306478990 697728540 /nfs/dbraw/zinc/72/85/40/697728540.db2.gz DKEPGCZZTJZMBL-WCBMZHEXSA-N 0 0 182.263 2.518 10 0 AFAERN Cc1nc([C@@H]2C[C@@H]2C)cs1 306490077 697728825 /nfs/dbraw/zinc/72/88/25/697728825.db2.gz USAJCSPJYLWMCC-CAHLUQPWSA-N 0 0 153.250 2.575 10 0 AFAERN Cc1nc([C@@H]2C[C@H]2C)cs1 306490080 697728869 /nfs/dbraw/zinc/72/88/69/697728869.db2.gz USAJCSPJYLWMCC-IYSWYEEDSA-N 0 0 153.250 2.575 10 0 AFAERN Cc1nc([C@H]2C[C@H]2C)cs1 306490081 697728961 /nfs/dbraw/zinc/72/89/61/697728961.db2.gz USAJCSPJYLWMCC-VDTYLAMSSA-N 0 0 153.250 2.575 10 0 AFAERN Cc1nc([C@H]2C[C@@H]2C)cs1 306490078 697728969 /nfs/dbraw/zinc/72/89/69/697728969.db2.gz USAJCSPJYLWMCC-FSPLSTOPSA-N 0 0 153.250 2.575 10 0 AFAERN CC(C)C(=O)NC(C)(C)C(C)(C)C 306530562 697729881 /nfs/dbraw/zinc/72/98/81/697729881.db2.gz HGQUDEFHWCJENL-UHFFFAOYSA-N 0 0 185.311 2.583 10 0 AFAERN CC1CC(OC(=O)C2(C)CCC2)C1 306757676 697732922 /nfs/dbraw/zinc/73/29/22/697732922.db2.gz NRSRQUPBZDYGDB-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN CCCN(C)C/C(Cl)=C/Cl 306784672 697733967 /nfs/dbraw/zinc/73/39/67/697733967.db2.gz IDWRZMTVVGQNNV-ALCCZGGFSA-N 0 0 182.094 2.647 10 0 AFAERN CSCCSCCCCF 307514286 697745247 /nfs/dbraw/zinc/74/52/47/697745247.db2.gz GIOJLUGNELXPSG-UHFFFAOYSA-N 0 0 182.329 2.832 10 0 AFAERN CCN(CC)C/C(Cl)=C/Cl 307524360 697745831 /nfs/dbraw/zinc/74/58/31/697745831.db2.gz GFMDCAWVYCBXEJ-ALCCZGGFSA-N 0 0 182.094 2.647 10 0 AFAERN Cc1ccc(N(C)CCF)cc1C 307665654 697748309 /nfs/dbraw/zinc/74/83/09/697748309.db2.gz AZYYRPKEAXXDHS-UHFFFAOYSA-N 0 0 181.254 2.709 10 0 AFAERN CCN(C/C(Cl)=C/Cl)C1CC1 307666116 697748617 /nfs/dbraw/zinc/74/86/17/697748617.db2.gz CXBFNRGOSDVSHR-ALCCZGGFSA-N 0 0 194.105 2.790 10 0 AFAERN CC(C)=CC(=O)O[C@@H]1CC[C@@H](C)C1 307683518 697749077 /nfs/dbraw/zinc/74/90/77/697749077.db2.gz UOCNZRZSSVSWGZ-NXEZZACHSA-N 0 0 182.263 2.684 10 0 AFAERN CN(C/C(Cl)=C/Cl)CC1CC1 307683313 697749188 /nfs/dbraw/zinc/74/91/88/697749188.db2.gz GXSQITHLXNSXQO-YWEYNIOJSA-N 0 0 194.105 2.647 10 0 AFAERN CC(C)=CC(=O)O[C@H]1CC[C@H](C)C1 307683519 697749808 /nfs/dbraw/zinc/74/98/08/697749808.db2.gz UOCNZRZSSVSWGZ-UWVGGRQHSA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)=CC(=O)O[C@@H]1CC[C@H](C)C1 307683520 697749877 /nfs/dbraw/zinc/74/98/77/697749877.db2.gz UOCNZRZSSVSWGZ-VHSXEESVSA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)=CC(=O)O[C@H]1CC[C@@H](C)C1 307683521 697749946 /nfs/dbraw/zinc/74/99/46/697749946.db2.gz UOCNZRZSSVSWGZ-ZJUUUORDSA-N 0 0 182.263 2.684 10 0 AFAERN CC[C@H](C)OC(=O)CC1CCC1 308028947 697755394 /nfs/dbraw/zinc/75/53/94/697755394.db2.gz IEPSJLSPIWFIFL-QMMMGPOBSA-N 0 0 170.252 2.518 10 0 AFAERN CC/C=C/COC(=O)CC(C)C 308065957 697756040 /nfs/dbraw/zinc/75/60/40/697756040.db2.gz YQKSZSNHPSBSMF-AATRIKPKSA-N 0 0 170.252 2.542 10 0 AFAERN C[C@H](C(=O)OC1CCC1)C(C)(C)C 308133104 697757603 /nfs/dbraw/zinc/75/76/03/697757603.db2.gz CIYCERZWHDDTHU-MRVPVSSYSA-N 0 0 184.279 2.764 10 0 AFAERN C[C@@H](C(=O)OC1CCC1)C(C)(C)C 308133105 697757761 /nfs/dbraw/zinc/75/77/61/697757761.db2.gz CIYCERZWHDDTHU-QMMMGPOBSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)CCC(=O)O[C@H](C)C(F)F 308136573 697757766 /nfs/dbraw/zinc/75/77/66/697757766.db2.gz FQJRXUGOTYUAFB-SSDOTTSWSA-N 0 0 194.221 2.619 10 0 AFAERN CC(C)C(C)N=Nc1ccccn1 308140449 697758255 /nfs/dbraw/zinc/75/82/55/697758255.db2.gz IBFAQBDIMONNHH-UHFFFAOYSA-N 0 0 177.251 2.525 10 0 AFAERN C[C@H](C(=O)OCC(C)(C)C)C1CC1 308161111 697758831 /nfs/dbraw/zinc/75/88/31/697758831.db2.gz VBGQVRKJGDBLGI-QMMMGPOBSA-N 0 0 184.279 2.622 10 0 AFAERN C[C@@H](C(=O)OCC(C)(C)C)C1CC1 308161109 697758925 /nfs/dbraw/zinc/75/89/25/697758925.db2.gz VBGQVRKJGDBLGI-MRVPVSSYSA-N 0 0 184.279 2.622 10 0 AFAERN CCC1(C(=O)O[C@H](C)C2CC2)CC1 308210366 697760346 /nfs/dbraw/zinc/76/03/46/697760346.db2.gz GDEVWAJQLLGAGA-MRVPVSSYSA-N 0 0 182.263 2.518 10 0 AFAERN CCCC[C@@H](CC)C(=O)OC1CC1 308210781 697760380 /nfs/dbraw/zinc/76/03/80/697760380.db2.gz GJSJHGBXPHODPF-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN CCC[C@H](CC)OC(=O)[C@@H]1C[C@@H]1C 308211754 697760384 /nfs/dbraw/zinc/76/03/84/697760384.db2.gz GTSNMOMBRLHHDE-LPEHRKFASA-N 0 0 184.279 2.764 10 0 AFAERN CCC[C@H](CC)OC(=O)[C@H]1C[C@H]1C 308211755 697760430 /nfs/dbraw/zinc/76/04/30/697760430.db2.gz GTSNMOMBRLHHDE-UTLUCORTSA-N 0 0 184.279 2.764 10 0 AFAERN CCCC[C@H](C)OC(=O)[C@@H]1C[C@H]1C 308212098 697760594 /nfs/dbraw/zinc/76/05/94/697760594.db2.gz GVKWUWWLIAWOKF-KXUCPTDWSA-N 0 0 184.279 2.764 10 0 AFAERN CCC[C@H](CC)OC(=O)[C@@H]1C[C@H]1C 308211753 697760606 /nfs/dbraw/zinc/76/06/06/697760606.db2.gz GTSNMOMBRLHHDE-KXUCPTDWSA-N 0 0 184.279 2.764 10 0 AFAERN CCCC[C@H](C)OC(=O)[C@@H]1C[C@@H]1C 308212099 697760661 /nfs/dbraw/zinc/76/06/61/697760661.db2.gz GVKWUWWLIAWOKF-LPEHRKFASA-N 0 0 184.279 2.764 10 0 AFAERN CCC/C=C/C(=O)O[C@@H]1C=CCC1 308215718 697761021 /nfs/dbraw/zinc/76/10/21/697761021.db2.gz JGORCAKVWKCXPM-WXLQGSQKSA-N 0 0 180.247 2.605 10 0 AFAERN CCC[C@H](C)Sc1cccc[n+]1[O-] 308213115 697761073 /nfs/dbraw/zinc/76/10/73/697761073.db2.gz HLGCEHONMHAZRV-VIFPVBQESA-N 0 0 197.303 2.601 10 0 AFAERN C/C(=C\C(C)(C)C)C(=O)OC1CC1 308216629 697760994 /nfs/dbraw/zinc/76/09/94/697760994.db2.gz ANAALKIHNVLZRA-BQYQJAHWSA-N 0 0 182.263 2.684 10 0 AFAERN CCC[C@H](C)C(=O)OC1(C)CCC1 308215706 697761123 /nfs/dbraw/zinc/76/11/23/697761123.db2.gz JFRNWLSEQZDAQT-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)[C@@H](C)OC(=O)c1ccsc1 308256616 697761468 /nfs/dbraw/zinc/76/14/68/697761468.db2.gz LBENPGKKDPSMKT-MRVPVSSYSA-N 0 0 198.287 2.949 10 0 AFAERN CC(C)[C@H](C)OC(=O)c1ccsc1 308256617 697761663 /nfs/dbraw/zinc/76/16/63/697761663.db2.gz LBENPGKKDPSMKT-QMMMGPOBSA-N 0 0 198.287 2.949 10 0 AFAERN CC1(CCOC(=O)C2CCC2)CC1 308265174 697762145 /nfs/dbraw/zinc/76/21/45/697762145.db2.gz PJPNTSNXOUODFN-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CCCCC(=O)OC[C@H]1CC1(C)C 308286219 697764893 /nfs/dbraw/zinc/76/48/93/697764893.db2.gz BBFPLTZPWGCSHG-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN C/C=C(\C)C(=O)OCC1CCCC1 308286120 697764911 /nfs/dbraw/zinc/76/49/11/697764911.db2.gz DOWFIEJUUYGIFU-YCRREMRBSA-N 0 0 182.263 2.686 10 0 AFAERN C/C=C(/C)C(=O)OCC1CCCC1 308286119 697764926 /nfs/dbraw/zinc/76/49/26/697764926.db2.gz DOWFIEJUUYGIFU-OQFOIZHKSA-N 0 0 182.263 2.686 10 0 AFAERN CCCCC(=O)OC[C@@H]1CC1(C)C 308286220 697764968 /nfs/dbraw/zinc/76/49/68/697764968.db2.gz BBFPLTZPWGCSHG-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN C/C=C/C=C\C(=O)OC[C@H](C)CC 308287518 697765303 /nfs/dbraw/zinc/76/53/03/697765303.db2.gz FDHSLNMVFCDGJZ-OCDIGVQLSA-N 0 0 182.263 2.708 10 0 AFAERN CC[C@H](C)CC(=O)O[C@@H](C)C1CC1 308288499 697765575 /nfs/dbraw/zinc/76/55/75/697765575.db2.gz FQUNFWYTTBHGOH-IUCAKERBSA-N 0 0 184.279 2.764 10 0 AFAERN C[C@H](OC(=O)CC1CC1)C1CCC1 308286843 697765627 /nfs/dbraw/zinc/76/56/27/697765627.db2.gz ZHKNOGGMIWWGRJ-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN CCC(C)(C)C(=O)O[C@@H](C)C1CC1 308290747 697766078 /nfs/dbraw/zinc/76/60/78/697766078.db2.gz GWXPOAJTEJRAIV-QMMMGPOBSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@@H](C)COC(=O)C=C1CCC1 308289738 697766108 /nfs/dbraw/zinc/76/61/08/697766108.db2.gz GJKVZBXUUODQLV-SECBINFHSA-N 0 0 182.263 2.686 10 0 AFAERN CC1(CN=Nc2ccccc2)CC1 308289399 697766231 /nfs/dbraw/zinc/76/62/31/697766231.db2.gz GDVSYAMWNNKBAN-UHFFFAOYSA-N 0 0 174.247 2.884 10 0 AFAERN C[C@H](OC(=O)C1CC1)c1cccs1 308334341 697768141 /nfs/dbraw/zinc/76/81/41/697768141.db2.gz MWKHFLVQURXEGF-ZETCQYMHSA-N 0 0 196.271 2.762 10 0 AFAERN C[C@H](OC(=O)C1CCC1)C1CCC1 308334986 697768150 /nfs/dbraw/zinc/76/81/50/697768150.db2.gz NIQGEZPJAMEFOI-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@@H](OC(=O)C1CC1)c1cccs1 308334340 697768163 /nfs/dbraw/zinc/76/81/63/697768163.db2.gz MWKHFLVQURXEGF-SSDOTTSWSA-N 0 0 196.271 2.762 10 0 AFAERN CCCCCCOC(=O)[C@H]1C[C@H]1C 308398540 697769598 /nfs/dbraw/zinc/76/95/98/697769598.db2.gz FWMNBKPKJDFWAA-ZJUUUORDSA-N 0 0 184.279 2.766 10 0 AFAERN CC/C=C(/C)C(=O)OCC1(C)CC1 308403847 697769651 /nfs/dbraw/zinc/76/96/51/697769651.db2.gz IMCNVKDXJWFDCO-UITAMQMPSA-N 0 0 182.263 2.686 10 0 AFAERN O=C(CC1=CCCCC1)OC1CC1 308414985 697770228 /nfs/dbraw/zinc/77/02/28/697770228.db2.gz QFPQVTIWPQUPMD-UHFFFAOYSA-N 0 0 180.247 2.583 10 0 AFAERN CCCCC(=O)OCCC(C)(F)F 308423973 697770982 /nfs/dbraw/zinc/77/09/82/697770982.db2.gz PZUXAEZPJWHPPN-UHFFFAOYSA-N 0 0 194.221 2.765 10 0 AFAERN CCC(CC)C(=O)OC[C@@H]1C[C@@H]1C 308443351 697772148 /nfs/dbraw/zinc/77/21/48/697772148.db2.gz ZVMNFYQRWVWJLJ-WPRPVWTQSA-N 0 0 184.279 2.622 10 0 AFAERN CCC(CC)C(=O)OC[C@H]1C[C@@H]1C 308443032 697772268 /nfs/dbraw/zinc/77/22/68/697772268.db2.gz ZVMNFYQRWVWJLJ-WCBMZHEXSA-N 0 0 184.279 2.622 10 0 AFAERN CCCCOC(=O)C[C@H](C)C1CC1 308452398 697772674 /nfs/dbraw/zinc/77/26/74/697772674.db2.gz DXKRRPQRXQYFKD-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN CC/C=C/COC(=O)C1(C)CCC1 308481175 697773391 /nfs/dbraw/zinc/77/33/91/697773391.db2.gz NKABUSPMWBCHQO-SNAWJCMRSA-N 0 0 182.263 2.686 10 0 AFAERN CC/C=C\COC(=O)C1(C)CCC1 308481170 697773558 /nfs/dbraw/zinc/77/35/58/697773558.db2.gz NKABUSPMWBCHQO-PLNGDYQASA-N 0 0 182.263 2.686 10 0 AFAERN CC/C=C\COC(=O)[C@H]1CC1(C)C 308485906 697773857 /nfs/dbraw/zinc/77/38/57/697773857.db2.gz PCQDVOYUVBETPP-SSJHQANKSA-N 0 0 182.263 2.542 10 0 AFAERN CC/C=C\COC(=O)CCC(C)C 308498694 697774373 /nfs/dbraw/zinc/77/43/73/697774373.db2.gz VLHZSJYUDJHTRT-WAYWQWQTSA-N 0 0 184.279 2.932 10 0 AFAERN CC(C)[C@H](F)c1nc([C@@H]2C[C@H]2C)no1 350139833 697782598 /nfs/dbraw/zinc/78/25/98/697782598.db2.gz APPYIGSMRYNDCQ-PRJMDXOYSA-N 0 0 198.241 2.860 10 0 AFAERN CC(C)[C@H](F)c1nc([C@H]2C[C@@H]2C)no1 350139832 697782730 /nfs/dbraw/zinc/78/27/30/697782730.db2.gz APPYIGSMRYNDCQ-FXQIFTODSA-N 0 0 198.241 2.860 10 0 AFAERN CC(C)[C@H](F)c1nc(CC2CC2)no1 349967011 697782762 /nfs/dbraw/zinc/78/27/62/697782762.db2.gz CRKZPMRVWHFQAR-VIFPVBQESA-N 0 0 198.241 2.689 10 0 AFAERN CC(C)[C@@H](F)c1nc(C2(C)CC2)no1 351180067 697782779 /nfs/dbraw/zinc/78/27/79/697782779.db2.gz XUPGMUYHZVEMNH-SSDOTTSWSA-N 0 0 198.241 2.788 10 0 AFAERN CC(C)[C@@H](F)c1nc(CC2CC2)no1 349967010 697782934 /nfs/dbraw/zinc/78/29/34/697782934.db2.gz CRKZPMRVWHFQAR-SECBINFHSA-N 0 0 198.241 2.689 10 0 AFAERN CC(C)[C@H](F)c1nc([C@@H]2C[C@@H]2C)no1 350139834 697782969 /nfs/dbraw/zinc/78/29/69/697782969.db2.gz APPYIGSMRYNDCQ-RNJXMRFFSA-N 0 0 198.241 2.860 10 0 AFAERN C/C=C/COC(=O)[C@@H]1C[C@H]1CCC 378665668 697783271 /nfs/dbraw/zinc/78/32/71/697783271.db2.gz AOUCSMQNLMPDMU-OTIHIVFHSA-N 0 0 182.263 2.542 10 0 AFAERN C/C=C\COC(=O)[C@@H]1C[C@H]1CCC 378665669 697783417 /nfs/dbraw/zinc/78/34/17/697783417.db2.gz AOUCSMQNLMPDMU-QBNQYXCASA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)C[C@@H](C)OC(=O)[C@@H]1C[C@H]1C 378676137 697783456 /nfs/dbraw/zinc/78/34/56/697783456.db2.gz PHIKDXXYJCGRCI-OPRDCNLKSA-N 0 0 184.279 2.620 10 0 AFAERN CCC[C@@H](C)COC(=O)[C@H]1C[C@@H]1C 378713907 697784715 /nfs/dbraw/zinc/78/47/15/697784715.db2.gz WQDBODPLPKAGNE-UTLUCORTSA-N 0 0 184.279 2.622 10 0 AFAERN CCC1(COC(=O)CC(C)C)CC1 378729690 697785282 /nfs/dbraw/zinc/78/52/82/697785282.db2.gz CPFLDAMJYVFFQW-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CCC1(COC(=O)C=C(C)C)CC1 378747599 697785835 /nfs/dbraw/zinc/78/58/35/697785835.db2.gz MQJPXMLODHPIHE-UHFFFAOYSA-N 0 0 182.263 2.686 10 0 AFAERN CCC1(COC(=O)CC2CC2)CC1 378750772 697785904 /nfs/dbraw/zinc/78/59/04/697785904.db2.gz OKHPGQPLIBORHA-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CCC[C@@H](CC)OC(=O)[C@@H]1C[C@H]1C 378773578 697786500 /nfs/dbraw/zinc/78/65/00/697786500.db2.gz GTSNMOMBRLHHDE-OPRDCNLKSA-N 0 0 184.279 2.764 10 0 AFAERN CON(C)C[C@@H](C)C1CCCCC1 378774748 697786532 /nfs/dbraw/zinc/78/65/32/697786532.db2.gz DOWGVIUORZBYHH-SNVBAGLBSA-N 0 0 185.311 2.696 10 0 AFAERN CCC[C@@H](CC)OC(=O)[C@H]1C[C@@H]1C 378773576 697786716 /nfs/dbraw/zinc/78/67/16/697786716.db2.gz GTSNMOMBRLHHDE-AEJSXWLSSA-N 0 0 184.279 2.764 10 0 AFAERN CCCC[C@@H](C)OC(=O)[C@H]1C[C@@H]1C 378773683 697786722 /nfs/dbraw/zinc/78/67/22/697786722.db2.gz GVKWUWWLIAWOKF-AEJSXWLSSA-N 0 0 184.279 2.764 10 0 AFAERN CCCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1C 378773686 697786738 /nfs/dbraw/zinc/78/67/38/697786738.db2.gz GVKWUWWLIAWOKF-OPRDCNLKSA-N 0 0 184.279 2.764 10 0 AFAERN CON(C)C[C@H](C)C1CCCCC1 378774747 697786847 /nfs/dbraw/zinc/78/68/47/697786847.db2.gz DOWGVIUORZBYHH-JTQLQIEISA-N 0 0 185.311 2.696 10 0 AFAERN Clc1ccc(C=NOC2CCC2)o1 378847517 697788744 /nfs/dbraw/zinc/78/87/44/697788744.db2.gz AXKLYWQFMWGYKS-UHFFFAOYSA-N 0 0 199.637 2.836 10 0 AFAERN CCOCSCc1ccco1 378849153 697789444 /nfs/dbraw/zinc/78/94/44/697789444.db2.gz CPICEVWWKCCFLD-UHFFFAOYSA-N 0 0 172.249 2.507 10 0 AFAERN CCOCSCCC(F)(F)F 378851499 697789587 /nfs/dbraw/zinc/78/95/87/697789587.db2.gz FYSAURKRZDNHDV-UHFFFAOYSA-N 0 0 188.214 2.666 10 0 AFAERN COCC[C@H](C)SCCSC 378930291 697795354 /nfs/dbraw/zinc/79/53/54/697795354.db2.gz WDHVPVXERGHXGA-QMMMGPOBSA-N 0 0 194.365 2.508 10 0 AFAERN CCC1(COC(=O)C(C)(C)C)CC1 378871760 697793848 /nfs/dbraw/zinc/79/38/48/697793848.db2.gz PIUWVSFTYFIEMP-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)(C)C(C)(C)C(=O)OC1CC1 378872992 697793856 /nfs/dbraw/zinc/79/38/56/697793856.db2.gz SNAQCHWTIZJVCW-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN C[C@@H]1CN(C/C(Cl)=C\Cl)[C@@H]1C 378875219 697794493 /nfs/dbraw/zinc/79/44/93/697794493.db2.gz YMTWJVWORUWPSZ-UKXUDTIWSA-N 0 0 194.105 2.646 10 0 AFAERN C[C@H]1[C@H](C)CN1C/C(Cl)=C\Cl 378875218 697794658 /nfs/dbraw/zinc/79/46/58/697794658.db2.gz YMTWJVWORUWPSZ-HUIYDGNLSA-N 0 0 194.105 2.646 10 0 AFAERN COCCSC(C)(C)C(C)C 378944660 697795044 /nfs/dbraw/zinc/79/50/44/697795044.db2.gz KYZBYSPLYDXQDO-UHFFFAOYSA-N 0 0 176.325 2.801 10 0 AFAERN COCC[C@@H](C)SCCSC 378930290 697795337 /nfs/dbraw/zinc/79/53/37/697795337.db2.gz WDHVPVXERGHXGA-MRVPVSSYSA-N 0 0 194.365 2.508 10 0 AFAERN CCN(CC)C/C(Cl)=C\Cl 378962860 697795788 /nfs/dbraw/zinc/79/57/88/697795788.db2.gz GFMDCAWVYCBXEJ-FNORWQNLSA-N 0 0 182.094 2.647 10 0 AFAERN Cl/C=C(\Cl)CN1CC=CCC1 378970914 697795956 /nfs/dbraw/zinc/79/59/56/697795956.db2.gz HJIDQAQAAZJCAP-VURMDHGXSA-N 0 0 192.089 2.567 10 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/nfs/dbraw/zinc/85/25/78/697852578.db2.gz VCNQRMPGVOBVJC-KXTMECRCSA-N 0 0 192.205 2.540 10 0 AFAERN CCC/C=C\C(=O)O[C@@H](C)C(F)F 379376787 697852614 /nfs/dbraw/zinc/85/26/14/697852614.db2.gz VCNQRMPGVOBVJC-RBSILHGTSA-N 0 0 192.205 2.540 10 0 AFAERN CCC/C=C/C(=O)O[C@@H](C)C(F)F 379376789 697852738 /nfs/dbraw/zinc/85/27/38/697852738.db2.gz VCNQRMPGVOBVJC-XPPMVYLVSA-N 0 0 192.205 2.540 10 0 AFAERN CCC[C@@H](CC)OC(=O)CC1CC1 379377687 697853350 /nfs/dbraw/zinc/85/33/50/697853350.db2.gz YMPYHSZCVUVCEX-SNVBAGLBSA-N 0 0 184.279 2.908 10 0 AFAERN CCC[C@H](CC)OC(=O)CC1CC1 379377686 697853364 /nfs/dbraw/zinc/85/33/64/697853364.db2.gz YMPYHSZCVUVCEX-JTQLQIEISA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)CCC(=O)OCC(C)(C)F 379378250 697853784 /nfs/dbraw/zinc/85/37/84/697853784.db2.gz ADQPJKDPWKBZPU-UHFFFAOYSA-N 0 0 190.258 2.714 10 0 AFAERN C/C=C\COC(=O)[C@H](C)C(C)(C)C 379379729 697855423 /nfs/dbraw/zinc/85/54/23/697855423.db2.gz BFUWZYGMZPFJLU-NMTCXDENSA-N 0 0 184.279 2.788 10 0 AFAERN C/C=C/COC(=O)[C@@H](C)C(C)(C)C 379379731 697855504 /nfs/dbraw/zinc/85/55/04/697855504.db2.gz BFUWZYGMZPFJLU-XCODYQFDSA-N 0 0 184.279 2.788 10 0 AFAERN CC1CC(OC(=O)CC2CCC2)C1 379379806 697855545 /nfs/dbraw/zinc/85/55/45/697855545.db2.gz CMMLPNNYMPVDCU-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN C/C=C/COC(=O)[C@H](C)C(C)(C)C 379379730 697855625 /nfs/dbraw/zinc/85/56/25/697855625.db2.gz BFUWZYGMZPFJLU-UCUJLANTSA-N 0 0 184.279 2.788 10 0 AFAERN C/C=C\COC(=O)[C@@H](C)C(C)(C)C 379379728 697855641 /nfs/dbraw/zinc/85/56/41/697855641.db2.gz BFUWZYGMZPFJLU-ATJFRQLMSA-N 0 0 184.279 2.788 10 0 AFAERN CC(C)[C@H](C)C(=O)OCC1(C)CC1 379379993 697855991 /nfs/dbraw/zinc/85/59/91/697855991.db2.gz BNDFNZRURSQPKO-VIFPVBQESA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)[C@@H](C)C(=O)OCC1(C)CC1 379379990 697856052 /nfs/dbraw/zinc/85/60/52/697856052.db2.gz BNDFNZRURSQPKO-SECBINFHSA-N 0 0 184.279 2.622 10 0 AFAERN CCCOC(=O)CC1(C)CCCC1 379381099 697857114 /nfs/dbraw/zinc/85/71/14/697857114.db2.gz GIVRWBLUEIWTNY-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN CCC(=O)OCCCCC(F)(F)F 379381018 697857201 /nfs/dbraw/zinc/85/72/01/697857201.db2.gz CRPVZNUTXVLHTJ-UHFFFAOYSA-N 0 0 198.184 2.672 10 0 AFAERN CCCC[C@H](C)OC(=O)C1(C)CC1 379381318 697857445 /nfs/dbraw/zinc/85/74/45/697857445.db2.gz GTCMODYDFSKXCG-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN CCCC[C@@H](C)OC(=O)C1(C)CC1 379381317 697857876 /nfs/dbraw/zinc/85/78/76/697857876.db2.gz GTCMODYDFSKXCG-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN CC[C@H](C)CC(=O)O[C@H](C)C(F)F 379381996 697858165 /nfs/dbraw/zinc/85/81/65/697858165.db2.gz HTCAUOMKRBWWGU-NKWVEPMBSA-N 0 0 194.221 2.619 10 0 AFAERN CC[C@@H](C)CC(=O)O[C@@H](C)C(F)F 379381998 697858220 /nfs/dbraw/zinc/85/82/20/697858220.db2.gz HTCAUOMKRBWWGU-RQJHMYQMSA-N 0 0 194.221 2.619 10 0 AFAERN CC[C@H](C)CC(=O)O[C@@H](C)C(F)F 379381989 697858217 /nfs/dbraw/zinc/85/82/17/697858217.db2.gz HTCAUOMKRBWWGU-BQBZGAKWSA-N 0 0 194.221 2.619 10 0 AFAERN CC[C@@H](C)CC(=O)O[C@H](C)C(F)F 379381997 697858285 /nfs/dbraw/zinc/85/82/85/697858285.db2.gz HTCAUOMKRBWWGU-RNFRBKRXSA-N 0 0 194.221 2.619 10 0 AFAERN CCC(C)N=Nc1ccc(C)cn1 379382926 697858788 /nfs/dbraw/zinc/85/87/88/697858788.db2.gz FTCZPYLTIRTCGG-UHFFFAOYSA-N 0 0 177.251 2.588 10 0 AFAERN CCCC1(C(=O)OC2CCC2)CC1 379383844 697859922 /nfs/dbraw/zinc/85/99/22/697859922.db2.gz LPCHKLDZJMHEET-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CC(C)CC(=O)OC[C@H]1CC1(C)C 379386645 697861869 /nfs/dbraw/zinc/86/18/69/697861869.db2.gz YMJWQFUWTHPGEO-SECBINFHSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)CC(=O)OC[C@@H]1CC1(C)C 379386646 697862067 /nfs/dbraw/zinc/86/20/67/697862067.db2.gz YMJWQFUWTHPGEO-VIFPVBQESA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)C(C)(C)C(=O)OCCCF 379387110 697862465 /nfs/dbraw/zinc/86/24/65/697862465.db2.gz GRCWZSBFRDUJBV-UHFFFAOYSA-N 0 0 190.258 2.571 10 0 AFAERN CC1CC(OC(=O)CCC2CC2)C1 379386947 697862684 /nfs/dbraw/zinc/86/26/84/697862684.db2.gz ZKZRNFKQBVLUOW-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)=CC(=O)O[C@H](C)C1CCC1 379387458 697862940 /nfs/dbraw/zinc/86/29/40/697862940.db2.gz HKDTXBGBAFZBGZ-SECBINFHSA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)=CC(=O)O[C@@H](C)C1CCC1 379387459 697862871 /nfs/dbraw/zinc/86/28/71/697862871.db2.gz HKDTXBGBAFZBGZ-VIFPVBQESA-N 0 0 182.263 2.684 10 0 AFAERN CC1CC(C(=O)O[C@@H](C)C(C)C)C1 379389204 697864673 /nfs/dbraw/zinc/86/46/73/697864673.db2.gz KZXAMOBJQPMQKL-KYHHOPLUSA-N 0 0 184.279 2.620 10 0 AFAERN CC1CC(C(=O)O[C@H](C)C(C)C)C1 379389203 697864841 /nfs/dbraw/zinc/86/48/41/697864841.db2.gz KZXAMOBJQPMQKL-HWOCKDDLSA-N 0 0 184.279 2.620 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@@H](C)C1CC1 379389799 697865114 /nfs/dbraw/zinc/86/51/14/697865114.db2.gz MJSSNIFJNXWWHW-IUCAKERBSA-N 0 0 184.279 2.620 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@H](C)C1CC1 379389797 697865183 /nfs/dbraw/zinc/86/51/83/697865183.db2.gz MJSSNIFJNXWWHW-BDAKNGLRSA-N 0 0 184.279 2.620 10 0 AFAERN CC(C)[C@@H](C)OC(=O)[C@@H](C)C1CC1 379389798 697865356 /nfs/dbraw/zinc/86/53/56/697865356.db2.gz MJSSNIFJNXWWHW-DTWKUNHWSA-N 0 0 184.279 2.620 10 0 AFAERN CC(C)[C@@H](C)OC(=O)[C@H](C)C1CC1 379389800 697865440 /nfs/dbraw/zinc/86/54/40/697865440.db2.gz MJSSNIFJNXWWHW-RKDXNWHRSA-N 0 0 184.279 2.620 10 0 AFAERN CCC(CC)C(=O)OCC1(C)CC1 379390069 697865723 /nfs/dbraw/zinc/86/57/23/697865723.db2.gz MXFOSRVPEWHYPD-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)CCC(=O)OC[C@@H]1C[C@H]1C 379391109 697866863 /nfs/dbraw/zinc/86/68/63/697866863.db2.gz OXASEEIHZZQQIU-ZJUUUORDSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)CCC(=O)OC[C@H]1C[C@H]1C 379391106 697866565 /nfs/dbraw/zinc/86/65/65/697866565.db2.gz OXASEEIHZZQQIU-NXEZZACHSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)CCC(=O)OC[C@@H]1C[C@@H]1C 379391107 697866572 /nfs/dbraw/zinc/86/65/72/697866572.db2.gz OXASEEIHZZQQIU-UWVGGRQHSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)C(=O)O[C@H](C)c1ccco1 379391427 697866592 /nfs/dbraw/zinc/86/65/92/697866592.db2.gz PPFIEKNOIPAPBB-MRVPVSSYSA-N 0 0 182.219 2.540 10 0 AFAERN CC(C)C(=O)O[C@@H](C)c1ccco1 379391428 697866810 /nfs/dbraw/zinc/86/68/10/697866810.db2.gz PPFIEKNOIPAPBB-QMMMGPOBSA-N 0 0 182.219 2.540 10 0 AFAERN CC(C)CCC(=O)OC[C@H]1C[C@@H]1C 379391108 697866926 /nfs/dbraw/zinc/86/69/26/697866926.db2.gz OXASEEIHZZQQIU-VHSXEESVSA-N 0 0 184.279 2.622 10 0 AFAERN CCC[C@@H](C)OC(=O)[C@@H]1CC1(C)C 379391718 697867199 /nfs/dbraw/zinc/86/71/99/697867199.db2.gz QHQFFTABKKNOAT-BDAKNGLRSA-N 0 0 184.279 2.764 10 0 AFAERN CCC[C@H](C)OC(=O)[C@@H]1CC1(C)C 379391719 697867272 /nfs/dbraw/zinc/86/72/72/697867272.db2.gz QHQFFTABKKNOAT-IUCAKERBSA-N 0 0 184.279 2.764 10 0 AFAERN C[C@@H]1CC[C@H](CC(=O)OC2CC2)C1 379392461 697867842 /nfs/dbraw/zinc/86/78/42/697867842.db2.gz RYGMDQGYIDXDBK-BDAKNGLRSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)[C@@H](C)OC(=O)C1CC=CC1 379393002 697868212 /nfs/dbraw/zinc/86/82/12/697868212.db2.gz SZTHZJKCNQBHEC-SECBINFHSA-N 0 0 182.263 2.540 10 0 AFAERN C[C@@H]1CC[C@@H](CC(=O)OC2CC2)C1 379392464 697868345 /nfs/dbraw/zinc/86/83/45/697868345.db2.gz RYGMDQGYIDXDBK-RKDXNWHRSA-N 0 0 182.263 2.518 10 0 AFAERN CCC(CC)C(=O)OCC(C)(C)F 379392748 697868401 /nfs/dbraw/zinc/86/84/01/697868401.db2.gz SPDFNEFEADIWOU-UHFFFAOYSA-N 0 0 190.258 2.714 10 0 AFAERN C[C@H]1CC[C@@H](CC(=O)OC2CC2)C1 379392462 697868466 /nfs/dbraw/zinc/86/84/66/697868466.db2.gz RYGMDQGYIDXDBK-DTWKUNHWSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)[C@H](C)OC(=O)C1CC=CC1 379393003 697868498 /nfs/dbraw/zinc/86/84/98/697868498.db2.gz SZTHZJKCNQBHEC-VIFPVBQESA-N 0 0 182.263 2.540 10 0 AFAERN C[C@H]1CC[C@H](CC(=O)OC2CC2)C1 379392463 697868527 /nfs/dbraw/zinc/86/85/27/697868527.db2.gz RYGMDQGYIDXDBK-IUCAKERBSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)(C)COC(=O)[C@@H]1CC1(C)C 379394195 697869902 /nfs/dbraw/zinc/86/99/02/697869902.db2.gz WQWHWXTXXLGSIM-QMMMGPOBSA-N 0 0 184.279 2.622 10 0 AFAERN CC[C@@H](C)C(=O)OC[C@@H](C)C1CC1 379395009 697870247 /nfs/dbraw/zinc/87/02/47/697870247.db2.gz YNQTWYZVHJIBBF-RKDXNWHRSA-N 0 0 184.279 2.622 10 0 AFAERN CC[C@H](C)C(=O)OC[C@H](C)C1CC1 379395008 697870277 /nfs/dbraw/zinc/87/02/77/697870277.db2.gz YNQTWYZVHJIBBF-IUCAKERBSA-N 0 0 184.279 2.622 10 0 AFAERN CC[C@H](C)C(=O)OC[C@@H](C)C1CC1 379395007 697870496 /nfs/dbraw/zinc/87/04/96/697870496.db2.gz YNQTWYZVHJIBBF-DTWKUNHWSA-N 0 0 184.279 2.622 10 0 AFAERN CC[C@@H](C)C(=O)OC[C@H](C)C1CC1 379395006 697870504 /nfs/dbraw/zinc/87/05/04/697870504.db2.gz YNQTWYZVHJIBBF-BDAKNGLRSA-N 0 0 184.279 2.622 10 0 AFAERN CON(CCC(C)C)CC(C)(C)C 379396354 697871656 /nfs/dbraw/zinc/87/16/56/697871656.db2.gz FXUMUVAPFDIABH-UHFFFAOYSA-N 0 0 187.327 2.942 10 0 AFAERN CC1(C)CC(CC(=O)OC2CC2)C1 379397181 697872133 /nfs/dbraw/zinc/87/21/33/697872133.db2.gz LUBVXEHBKZNFNB-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)CCOC(=O)C=C1CCC1 379397975 697872776 /nfs/dbraw/zinc/87/27/76/697872776.db2.gz FCHIGLZLQARULG-UHFFFAOYSA-N 0 0 182.263 2.686 10 0 AFAERN CCC(=O)OCC(C(C)C)C(C)C 379397784 697872897 /nfs/dbraw/zinc/87/28/97/697872897.db2.gz PDFDKNZMROJROA-UHFFFAOYSA-N 0 0 186.295 2.868 10 0 AFAERN CC(C)=CCOC(=O)C1CC(C)C1 379398482 697873305 /nfs/dbraw/zinc/87/33/05/697873305.db2.gz FRXXDYIKDGLHTE-UHFFFAOYSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)=CC(=O)OC[C@H]1CC1(C)C 379399246 697874083 /nfs/dbraw/zinc/87/40/83/697874083.db2.gz GPMLZJSQKSFHQU-SECBINFHSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)=C(C)C(=O)OCCC(C)C 379399067 697873860 /nfs/dbraw/zinc/87/38/60/697873860.db2.gz GKODVJJUQQUTOX-UHFFFAOYSA-N 0 0 184.279 2.932 10 0 AFAERN CC(C)=CC(=O)OC[C@@H]1CC1(C)C 379399247 697873921 /nfs/dbraw/zinc/87/39/21/697873921.db2.gz GPMLZJSQKSFHQU-VIFPVBQESA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)(C)CC(=O)OCCC1CC1 379399267 697874000 /nfs/dbraw/zinc/87/40/00/697874000.db2.gz GRCVXDCRWNRKHJ-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)(C)CC(=O)OC1(C)CCC1 379399584 697874443 /nfs/dbraw/zinc/87/44/43/697874443.db2.gz HHDBJGBLFIHEAA-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)[C@H](C)C(=O)OCC(C)(C)F 379399751 697874523 /nfs/dbraw/zinc/87/45/23/697874523.db2.gz HPCYVDZOKPGFIO-QMMMGPOBSA-N 0 0 190.258 2.570 10 0 AFAERN CC(C)[C@@H](C)C(=O)OCC(C)(C)F 379399750 697874619 /nfs/dbraw/zinc/87/46/19/697874619.db2.gz HPCYVDZOKPGFIO-MRVPVSSYSA-N 0 0 190.258 2.570 10 0 AFAERN CC(C)CCOC(=O)CCC(F)F 379400662 697875319 /nfs/dbraw/zinc/87/53/19/697875319.db2.gz JDKYWWPJNRTVOI-UHFFFAOYSA-N 0 0 194.221 2.621 10 0 AFAERN CCCCNC(=O)/C=C\C(C)(C)C 379400844 697875526 /nfs/dbraw/zinc/87/55/26/697875526.db2.gz JOPRKLSBUKRUGJ-FPLPWBNLSA-N 0 0 183.295 2.505 10 0 AFAERN C[C@H](OC(=O)C(C)(C)C)C1CCC1 379402153 697876960 /nfs/dbraw/zinc/87/69/60/697876960.db2.gz MKQPQYJXGYJBEV-QMMMGPOBSA-N 0 0 184.279 2.764 10 0 AFAERN CCC[C@H](C)OC(=O)/C=C/C(C)C 379402926 697877455 /nfs/dbraw/zinc/87/74/55/697877455.db2.gz OCVXGPPPHLFOJY-JARNTUPDSA-N 0 0 184.279 2.930 10 0 AFAERN CCC[C@@H](C)OC(=O)/C=C/C(C)C 379402927 697877531 /nfs/dbraw/zinc/87/75/31/697877531.db2.gz OCVXGPPPHLFOJY-QROSGCPLSA-N 0 0 184.279 2.930 10 0 AFAERN CCC[C@H](C)OC(=O)/C=C\C(C)C 379402924 697877614 /nfs/dbraw/zinc/87/76/14/697877614.db2.gz OCVXGPPPHLFOJY-DMEOUFDRSA-N 0 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/nfs/dbraw/zinc/11/50/10/698115010.db2.gz GCGXPJZLQMDHTA-CSKARUKUSA-N 0 0 182.263 2.852 10 0 AFAERN C[C@H](C(=O)OCCC1CC1)C1CCC1 838385664 698118507 /nfs/dbraw/zinc/11/85/07/698118507.db2.gz ASWFBUNAZSBEBH-VIFPVBQESA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H](C(=O)OCCC1CC1)C1CCC1 838385663 698118542 /nfs/dbraw/zinc/11/85/42/698118542.db2.gz ASWFBUNAZSBEBH-SECBINFHSA-N 0 0 196.290 2.766 10 0 AFAERN C=C=CCNC(=O)[C@H](C)CC(C)(C)C 848114687 698125317 /nfs/dbraw/zinc/12/53/17/698125317.db2.gz OYTDPCAGCGJJDS-SNVBAGLBSA-N 0 0 195.306 2.516 10 0 AFAERN C=C=CCNC(=O)[C@@H](C)CC(C)(C)C 848114685 698125575 /nfs/dbraw/zinc/12/55/75/698125575.db2.gz OYTDPCAGCGJJDS-JTQLQIEISA-N 0 0 195.306 2.516 10 0 AFAERN CNc1ccc(O[C@@H]2CC2(F)F)cc1 853067504 698127421 /nfs/dbraw/zinc/12/74/21/698127421.db2.gz YEYHUUHBYRJJKY-SECBINFHSA-N 0 0 199.200 2.515 10 0 AFAERN CNc1ccc(O[C@H]2CC2(F)F)cc1 853067505 698127481 /nfs/dbraw/zinc/12/74/81/698127481.db2.gz YEYHUUHBYRJJKY-VIFPVBQESA-N 0 0 199.200 2.515 10 0 AFAERN CC/C(C)=C\C(=O)OCC(C)(F)F 861221194 698135489 /nfs/dbraw/zinc/13/54/89/698135489.db2.gz DECOWPQUQUMZRA-ALCCZGGFSA-N 0 0 192.205 2.541 10 0 AFAERN CC/C(C)=C/C(=O)OCC(C)(F)F 861221195 698135517 /nfs/dbraw/zinc/13/55/17/698135517.db2.gz DECOWPQUQUMZRA-FNORWQNLSA-N 0 0 192.205 2.541 10 0 AFAERN CCOCSC[C@H]1C[C@@H]2C[C@@H]2C1 863355846 698137442 /nfs/dbraw/zinc/13/74/42/698137442.db2.gz ZQOJZMSCTFMHKT-ILWJIGKKSA-N 0 0 186.320 2.760 10 0 AFAERN CCC(=O)OC1CCC2(CC1)CC2 870799137 698140494 /nfs/dbraw/zinc/14/04/94/698140494.db2.gz VUTKNSHUWUCWBH-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CC/C=C(\F)C(=O)N1[C@@H](C)CC[C@H]1C 866541462 698138417 /nfs/dbraw/zinc/13/84/17/698138417.db2.gz MPSFGTJNFVQWTO-LVCLGHRLSA-N 0 0 199.269 2.649 10 0 AFAERN CC/C=C(/F)C(=O)N1[C@H](C)CC[C@H]1C 866541464 698138557 /nfs/dbraw/zinc/13/85/57/698138557.db2.gz MPSFGTJNFVQWTO-SDEVKPEUSA-N 0 0 199.269 2.649 10 0 AFAERN CC/C=C(/F)C(=O)N1[C@@H](C)CC[C@H]1C 866541463 698138786 /nfs/dbraw/zinc/13/87/86/698138786.db2.gz MPSFGTJNFVQWTO-NGFMRJIMSA-N 0 0 199.269 2.649 10 0 AFAERN CC/C=C(\F)C(=O)N1[C@H](C)CC[C@H]1C 866541461 698138903 /nfs/dbraw/zinc/13/89/03/698138903.db2.gz MPSFGTJNFVQWTO-JVEIXEQUSA-N 0 0 199.269 2.649 10 0 AFAERN CCc1noc([C@@H]2C[C@H]2C(C)(C)C)n1 866848156 698139657 /nfs/dbraw/zinc/13/96/57/698139657.db2.gz MTPUHRWQPVWEBV-HTQZYQBOSA-N 0 0 194.278 2.782 10 0 AFAERN O=C(OCC1CC1)[C@]12CCCC[C@H]1C2 869703102 698140087 /nfs/dbraw/zinc/14/00/87/698140087.db2.gz AMARGYYUWYDFHL-JQWIXIFHSA-N 0 0 194.274 2.520 10 0 AFAERN O=C(OCC1CC1)[C@@]12CCCC[C@@H]1C2 869703104 698140109 /nfs/dbraw/zinc/14/01/09/698140109.db2.gz AMARGYYUWYDFHL-ZYHUDNBSSA-N 0 0 194.274 2.520 10 0 AFAERN O=C(OC1CCC2(CC1)CC2)C1CC1 870796654 698140471 /nfs/dbraw/zinc/14/04/71/698140471.db2.gz AZCKWWIRKXRARV-UHFFFAOYSA-N 0 0 194.274 2.662 10 0 AFAERN CC(C)C(=O)OC1CCC2(CC1)CC2 870796792 698140536 /nfs/dbraw/zinc/14/05/36/698140536.db2.gz DAEYOIKSBLNVJJ-UHFFFAOYSA-N 0 0 196.290 2.908 10 0 AFAERN C=C/C=C/CCOC(=O)[C@@H](C)CC 883944330 698146926 /nfs/dbraw/zinc/14/69/26/698146926.db2.gz GZUCMAYELZUHKF-FGEFZZPRSA-N 0 0 182.263 2.708 10 0 AFAERN CC[C@@H](C)C(=O)OCc1cc(C)co1 893752727 698156385 /nfs/dbraw/zinc/15/63/85/698156385.db2.gz NLXJFPQEDXIVMT-SECBINFHSA-N 0 0 196.246 2.677 10 0 AFAERN C/C=C(\C)C(=O)NC[C@]1(C)CC1(C)C 893378612 698154951 /nfs/dbraw/zinc/15/49/51/698154951.db2.gz HDIZYQYAFKAEPT-LZGFCCKTSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C(/C)C(=O)NC[C@]1(C)CC1(C)C 893378614 698155005 /nfs/dbraw/zinc/15/50/05/698155005.db2.gz HDIZYQYAFKAEPT-PWWFUAJNSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C(/C)C(=O)NC[C@@]1(C)CC1(C)C 893378613 698155189 /nfs/dbraw/zinc/15/51/89/698155189.db2.gz HDIZYQYAFKAEPT-OJIASSBASA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C(\C)C(=O)NC[C@@]1(C)CC1(C)C 893378615 698155213 /nfs/dbraw/zinc/15/52/13/698155213.db2.gz HDIZYQYAFKAEPT-UVMWJGKXSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C(\C)C(=O)OCc1cc(C)co1 893747408 698156197 /nfs/dbraw/zinc/15/61/97/698156197.db2.gz VCANEPREAAMRRY-RUDMXATFSA-N 0 0 194.230 2.597 10 0 AFAERN CCCCC(=O)OCc1cc(C)co1 893752390 698156285 /nfs/dbraw/zinc/15/62/85/698156285.db2.gz DVWMBVVTYNWXFS-UHFFFAOYSA-N 0 0 196.246 2.821 10 0 AFAERN CC[C@H](C)C(=O)OCc1cc(C)co1 893752728 698156332 /nfs/dbraw/zinc/15/63/32/698156332.db2.gz NLXJFPQEDXIVMT-VIFPVBQESA-N 0 0 196.246 2.677 10 0 AFAERN CCCC(=O)OC[C@@]12CCC[C@@H]1C2 893625176 698156344 /nfs/dbraw/zinc/15/63/44/698156344.db2.gz HJMZMDKCIDFPSG-KOLCDFICSA-N 0 0 182.263 2.520 10 0 AFAERN C/C=C(/C)C(=O)OCc1cc(C)co1 893747409 698156502 /nfs/dbraw/zinc/15/65/02/698156502.db2.gz VCANEPREAAMRRY-WTKPLQERSA-N 0 0 194.230 2.597 10 0 AFAERN Cc1coc(COC(=O)C(C)(C)C)c1 893755167 698156816 /nfs/dbraw/zinc/15/68/16/698156816.db2.gz ZGNFVCTVIFVOSM-UHFFFAOYSA-N 0 0 196.246 2.677 10 0 AFAERN CC(C)=CC(=O)OCc1cc(C)co1 893754665 698156826 /nfs/dbraw/zinc/15/68/26/698156826.db2.gz QRCWSQBKNLVSIN-UHFFFAOYSA-N 0 0 194.230 2.597 10 0 AFAERN CC(C)C(=O)OCC[C@@H]1CC[C@H]2C[C@@H]12 893792643 698156853 /nfs/dbraw/zinc/15/68/53/698156853.db2.gz DDDPGGTURHPBAI-DCAQKATOSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)C(=O)OCC[C@@H]1CC[C@@H]2C[C@H]12 893792645 698156875 /nfs/dbraw/zinc/15/68/75/698156875.db2.gz DDDPGGTURHPBAI-HBNTYKKESA-N 0 0 196.290 2.622 10 0 AFAERN Cc1coc(COC(=O)CC(C)C)c1 893756528 698156893 /nfs/dbraw/zinc/15/68/93/698156893.db2.gz SUZOFHMJVIXEMY-UHFFFAOYSA-N 0 0 196.246 2.677 10 0 AFAERN Cc1coc(CN2CCC[C@H](F)C2)c1 895150875 698159059 /nfs/dbraw/zinc/15/90/59/698159059.db2.gz OKPQELCJTMYRLJ-JTQLQIEISA-N 0 0 197.253 2.522 10 0 AFAERN CC(C)CC(=O)NC1CCC=CCC1 895204123 698159074 /nfs/dbraw/zinc/15/90/74/698159074.db2.gz FUKURMYQEBKOSV-UHFFFAOYSA-N 0 0 195.306 2.648 10 0 AFAERN Cc1coc(CN2CCC[C@@H](F)C2)c1 895150878 698159221 /nfs/dbraw/zinc/15/92/21/698159221.db2.gz OKPQELCJTMYRLJ-SNVBAGLBSA-N 0 0 197.253 2.522 10 0 AFAERN CCCCC(=O)NC1CCC=CCC1 895204112 698159306 /nfs/dbraw/zinc/15/93/06/698159306.db2.gz FJQIXUYKFWHONE-UHFFFAOYSA-N 0 0 195.306 2.792 10 0 AFAERN C/C=C(/C)C(=O)NC1CCC=CCC1 895214325 698159667 /nfs/dbraw/zinc/15/96/67/698159667.db2.gz CFBGTWMWJRVBNH-KMKOMSMNSA-N 0 0 193.290 2.568 10 0 AFAERN CC[C@@H](C)C(=O)NC1CCC=CCC1 895207371 698159694 /nfs/dbraw/zinc/15/96/94/698159694.db2.gz JTLMAEPFFZYCRU-SNVBAGLBSA-N 0 0 195.306 2.648 10 0 AFAERN C/C=C(\C)C(=O)NC1CCC=CCC1 895214327 698159886 /nfs/dbraw/zinc/15/98/86/698159886.db2.gz CFBGTWMWJRVBNH-XCVCLJGOSA-N 0 0 193.290 2.568 10 0 AFAERN CC[C@H](C)C(=O)NC1CCC=CCC1 895207370 698159857 /nfs/dbraw/zinc/15/98/57/698159857.db2.gz JTLMAEPFFZYCRU-JTQLQIEISA-N 0 0 195.306 2.648 10 0 AFAERN c1csc(N[C@@H]2C[C@H]3CCC[C@H]32)n1 897177994 698162974 /nfs/dbraw/zinc/16/29/74/698162974.db2.gz YUCWSHNDSPGXJA-IWSPIJDZSA-N 0 0 194.303 2.744 10 0 AFAERN c1csc(N[C@@H]2C[C@H]3CCC[C@@H]32)n1 897177993 698163012 /nfs/dbraw/zinc/16/30/12/698163012.db2.gz YUCWSHNDSPGXJA-HRDYMLBCSA-N 0 0 194.303 2.744 10 0 AFAERN c1csc(N[C@@H]2C[C@@H]3CCC[C@H]32)n1 897177992 698163026 /nfs/dbraw/zinc/16/30/26/698163026.db2.gz YUCWSHNDSPGXJA-DJLDLDEBSA-N 0 0 194.303 2.744 10 0 AFAERN c1csc(N2CC[C@H]3CCC[C@H]32)n1 897289246 698163065 /nfs/dbraw/zinc/16/30/65/698163065.db2.gz MQEKCHDZKMRIQI-RKDXNWHRSA-N 0 0 194.303 2.522 10 0 AFAERN c1csc(N[C@@H]2C[C@@H]3CCC[C@@H]32)n1 897177995 698163080 /nfs/dbraw/zinc/16/30/80/698163080.db2.gz YUCWSHNDSPGXJA-XHNCKOQMSA-N 0 0 194.303 2.744 10 0 AFAERN c1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]32)nc1 897182072 698163097 /nfs/dbraw/zinc/16/30/97/698163097.db2.gz SKXZJWDHUWOKLS-GARJFASQSA-N 0 0 188.274 2.682 10 0 AFAERN c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)nc1 897182073 698163114 /nfs/dbraw/zinc/16/31/14/698163114.db2.gz SKXZJWDHUWOKLS-GMTAPVOTSA-N 0 0 188.274 2.682 10 0 AFAERN c1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)nc1 897182075 698163141 /nfs/dbraw/zinc/16/31/41/698163141.db2.gz SKXZJWDHUWOKLS-OUAUKWLOSA-N 0 0 188.274 2.682 10 0 AFAERN c1ccc(N[C@@H]2C[C@@H]3CCC[C@H]32)nc1 897182074 698163164 /nfs/dbraw/zinc/16/31/64/698163164.db2.gz SKXZJWDHUWOKLS-HBNTYKKESA-N 0 0 188.274 2.682 10 0 AFAERN C[C@@H]1CC=CC[C@H]1Nc1nccs1 897392833 698163632 /nfs/dbraw/zinc/16/36/32/698163632.db2.gz PYXOVGDWCAJRDU-RKDXNWHRSA-N 0 0 194.303 2.910 10 0 AFAERN Cc1cnn(CC[C@@H]2C[C@H]2C2CC2)c1 902263857 698166204 /nfs/dbraw/zinc/16/62/04/698166204.db2.gz GTCUWVQDKVXJOQ-NEPJUHHUSA-N 0 0 190.290 2.628 10 0 AFAERN C[C@@H](SC1=NCCS1)C1CC1 915588156 698169248 /nfs/dbraw/zinc/16/92/48/698169248.db2.gz NJNAZWDAZIWBNG-ZCFIWIBFSA-N 0 0 187.333 2.621 10 0 AFAERN CC/C=C(\C)C(=O)N1CCC(C)CC1 914686963 698169276 /nfs/dbraw/zinc/16/92/76/698169276.db2.gz AELBHKWUXFKBNB-VZUCSPMQSA-N 0 0 195.306 2.601 10 0 AFAERN CC/C=C(/C)C(=O)N1CCC(C)CC1 914687015 698169293 /nfs/dbraw/zinc/16/92/93/698169293.db2.gz AELBHKWUXFKBNB-WZUFQYTHSA-N 0 0 195.306 2.601 10 0 AFAERN C[C@H](SC1=NCCS1)C1CC1 915588155 698169309 /nfs/dbraw/zinc/16/93/09/698169309.db2.gz NJNAZWDAZIWBNG-LURJTMIESA-N 0 0 187.333 2.621 10 0 AFAERN CC/C=C\CCn1nc(Cl)nc1C 918576856 698170022 /nfs/dbraw/zinc/17/00/22/698170022.db2.gz HCDFIHLPHRFMGE-PLNGDYQASA-N 0 0 199.685 2.596 10 0 AFAERN CC/C=C/CCn1nc(Cl)nc1C 918576857 698170118 /nfs/dbraw/zinc/17/01/18/698170118.db2.gz HCDFIHLPHRFMGE-SNAWJCMRSA-N 0 0 199.685 2.596 10 0 AFAERN CC(C)=CCCn1nc(Cl)nc1C 918560052 698170121 /nfs/dbraw/zinc/17/01/21/698170121.db2.gz CNBWFIDYAPNQKT-UHFFFAOYSA-N 0 0 199.685 2.596 10 0 AFAERN Cc1nc(Cl)nn1[C@H]1C=CCCC1 918582300 698170692 /nfs/dbraw/zinc/17/06/92/698170692.db2.gz DKLQDUOLSMTJGB-QMMMGPOBSA-N 0 0 197.669 2.521 10 0 AFAERN Cc1nc(Cl)nn1[C@@H]1C=CCCC1 918582298 698170740 /nfs/dbraw/zinc/17/07/40/698170740.db2.gz DKLQDUOLSMTJGB-MRVPVSSYSA-N 0 0 197.669 2.521 10 0 AFAERN CC(C)OC(=O)[C@H]1CC[C@H]2C[C@H]2CC1 924376586 698172760 /nfs/dbraw/zinc/17/27/60/698172760.db2.gz MHOLVLGIDIKGOE-RTCCRHLQSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)OC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1 924376575 698172765 /nfs/dbraw/zinc/17/27/65/698172765.db2.gz MHOLVLGIDIKGOE-JGPRNRPPSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)CNC(=O)C[C@@H]1CC=CCC1 929193330 698179719 /nfs/dbraw/zinc/17/97/19/698179719.db2.gz YJFZJSNAZMLQHV-LLVKDONJSA-N 0 0 195.306 2.505 10 0 AFAERN CC(C)=CCCN1CC[C@@H]1C(F)F 931425134 698182097 /nfs/dbraw/zinc/18/20/97/698182097.db2.gz JIHLNPQZUMVZIM-SECBINFHSA-N 0 0 189.249 2.682 10 0 AFAERN CC(C)(C)CC(C)(C)C(=O)NC1CC1 929192885 698179781 /nfs/dbraw/zinc/17/97/81/698179781.db2.gz YOKMRXIFEUJFRA-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CNC(=O)C[C@H]1CC=CCC1 929193331 698179820 /nfs/dbraw/zinc/17/98/20/698179820.db2.gz YJFZJSNAZMLQHV-NSHDSACASA-N 0 0 195.306 2.505 10 0 AFAERN CCC[C@H](C)NC(=O)C1(C)CC=CC1 929717512 698180294 /nfs/dbraw/zinc/18/02/94/698180294.db2.gz HWLABMORJMUXNL-JTQLQIEISA-N 0 0 195.306 2.648 10 0 AFAERN CCC[C@@H](C)NC(=O)C1(C)CC=CC1 929717513 698180449 /nfs/dbraw/zinc/18/04/49/698180449.db2.gz HWLABMORJMUXNL-SNVBAGLBSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)=CCCN1CC[C@H]1C(F)F 931425135 698182114 /nfs/dbraw/zinc/18/21/14/698182114.db2.gz JIHLNPQZUMVZIM-VIFPVBQESA-N 0 0 189.249 2.682 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1CCC[C@@H]1O 55230421 325603295 /nfs/dbraw/zinc/60/32/95/325603295.db2.gz ALCTVITYEKBQAS-RYUDHWBXSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccc([C@@H]2CCC[C@H]2O)c(C)c1 55236245 325603317 /nfs/dbraw/zinc/60/33/17/325603317.db2.gz BQENCKHCYNWADA-QWHCGFSZSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1ccc([C@H]2CCC[C@H]2O)s1 84020186 325609156 /nfs/dbraw/zinc/60/91/56/325609156.db2.gz IYUCXKXLXLWATB-DTWKUNHWSA-N 0 0 182.288 2.685 10 0 AFAERN OCC1(c2ccc(F)cc2)CCCC1 84355598 325609520 /nfs/dbraw/zinc/60/95/20/325609520.db2.gz NWEIBHXKMVVRDL-UHFFFAOYSA-N 0 0 194.249 2.630 10 0 AFAERN c1cc(-c2cnc(C3CC3)o2)ccn1 527531537 325646653 /nfs/dbraw/zinc/64/66/53/325646653.db2.gz GTSXBSRZVQPCMI-UHFFFAOYSA-N 0 0 186.214 2.614 10 0 AFAERN Cc1coc(-c2cnc(C3CC3)o2)n1 527532223 325646699 /nfs/dbraw/zinc/64/66/99/325646699.db2.gz KSYYSGHOTGRRPX-UHFFFAOYSA-N 0 0 190.202 2.515 10 0 AFAERN Cc1nccn1CC1CC(C)(C)C1 528426428 325658153 /nfs/dbraw/zinc/65/81/53/325658153.db2.gz KKZVDJLLJDSFFY-UHFFFAOYSA-N 0 0 178.279 2.628 10 0 AFAERN Fc1ccccc1N1CCCCC1 82712993 132177712 /nfs/dbraw/zinc/17/77/12/132177712.db2.gz PJAFWEJWFNBOLF-UHFFFAOYSA-N 0 0 179.238 2.816 10 0 AFAERN Fc1cc(F)cc(N2CCCCC2)c1 82712998 132177752 /nfs/dbraw/zinc/17/77/52/132177752.db2.gz RMSGTWFYPRLJNB-UHFFFAOYSA-N 0 0 197.228 2.955 10 0 AFAERN CC(C)N1C=CCc2ccccc21 100268246 132177755 /nfs/dbraw/zinc/17/77/55/132177755.db2.gz RKZCLWSRQDPWFH-UHFFFAOYSA-N 0 0 173.259 2.971 10 0 AFAERN CN1CC(C)(C)Cc2ccccc21 5138507 132180963 /nfs/dbraw/zinc/18/09/63/132180963.db2.gz UBABTTHJZBCRCI-UHFFFAOYSA-N 0 0 175.275 2.705 10 0 AFAERN CN1C(=S)CSc2ccccc21 5549816 132181054 /nfs/dbraw/zinc/18/10/54/132181054.db2.gz MYEVHRBQACPKKF-UHFFFAOYSA-N 0 0 195.312 2.556 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C)CCN2C 5330995 132181104 /nfs/dbraw/zinc/18/11/04/132181104.db2.gz MZAUVMGTJZLMKG-JTQLQIEISA-N 0 0 175.275 2.938 10 0 AFAERN C[C@@H]1Cc2cccc3c2N(CCC3)C1 5330362 132181240 /nfs/dbraw/zinc/18/12/40/132181240.db2.gz FYVKFMKDYHGTLH-SNVBAGLBSA-N 0 0 187.286 2.631 10 0 AFAERN Cc1ccc2c(c1)[C@H](C)CCN2C 5330991 132181296 /nfs/dbraw/zinc/18/12/96/132181296.db2.gz MZAUVMGTJZLMKG-SNVBAGLBSA-N 0 0 175.275 2.938 10 0 AFAERN C[C@@H]1CCc2cccc3c2N1CCC3 5330342 132181302 /nfs/dbraw/zinc/18/13/02/132181302.db2.gz GJVLHWSVEFLKJC-SNVBAGLBSA-N 0 0 187.286 2.774 10 0 AFAERN C[C@H]1CCc2cccc3c2N1CCC3 5330425 132181351 /nfs/dbraw/zinc/18/13/51/132181351.db2.gz GJVLHWSVEFLKJC-JTQLQIEISA-N 0 0 187.286 2.774 10 0 AFAERN CCN1CC[C@@H](OC)c2ccccc21 5312076 132181578 /nfs/dbraw/zinc/18/15/78/132181578.db2.gz JBUKATYCBGLWIP-GFCCVEGCSA-N 0 0 191.274 2.604 10 0 AFAERN C[C@H]1Cc2cccc3c2N(CCC3)C1 5330444 132181627 /nfs/dbraw/zinc/18/16/27/132181627.db2.gz FYVKFMKDYHGTLH-JTQLQIEISA-N 0 0 187.286 2.631 10 0 AFAERN CCN1CC[C@H](OC)c2ccccc21 5312059 132181634 /nfs/dbraw/zinc/18/16/34/132181634.db2.gz JBUKATYCBGLWIP-LBPRGKRZSA-N 0 0 191.274 2.604 10 0 AFAERN Cc1cccc(N2CCCCC2)c1 5331041 132181649 /nfs/dbraw/zinc/18/16/49/132181649.db2.gz FWKITFSPALLPLM-UHFFFAOYSA-N 0 0 175.275 2.985 10 0 AFAERN Fc1ccc(N2CCCCC2)cc1 34540688 132187700 /nfs/dbraw/zinc/18/77/00/132187700.db2.gz KEZRLEQDBNGXKA-UHFFFAOYSA-N 0 0 179.238 2.816 10 0 AFAERN C[C@H]1CCCN(c2cccc(N)c2)C1 36720263 132188478 /nfs/dbraw/zinc/18/84/78/132188478.db2.gz QAEGODBPJYCKPC-JTQLQIEISA-N 0 0 190.290 2.505 10 0 AFAERN C[C@H]1CCCCN1c1cccc(N)c1 36720257 132188574 /nfs/dbraw/zinc/18/85/74/132188574.db2.gz JEFHBWGOGQYJCI-JTQLQIEISA-N 0 0 190.290 2.648 10 0 AFAERN C[C@@H]1CCCN(c2cccc(N)c2)C1 36720262 132188610 /nfs/dbraw/zinc/18/86/10/132188610.db2.gz QAEGODBPJYCKPC-SNVBAGLBSA-N 0 0 190.290 2.505 10 0 AFAERN C[C@@H]1CCCCN1c1cccc(N)c1 36720256 132188789 /nfs/dbraw/zinc/18/87/89/132188789.db2.gz JEFHBWGOGQYJCI-SNVBAGLBSA-N 0 0 190.290 2.648 10 0 AFAERN NN1Cc2ccccc2-c2ccccc21 39207975 132189530 /nfs/dbraw/zinc/18/95/30/132189530.db2.gz GCWVJHBEKIEJSN-UHFFFAOYSA-N 0 0 196.253 2.547 10 0 AFAERN CC(=O)N1C=C[C@@H](C)c2ccccc21 39126140 132191321 /nfs/dbraw/zinc/19/13/21/132191321.db2.gz BVJLFGCAKSYHFW-SECBINFHSA-N 0 0 187.242 2.670 10 0 AFAERN CC(=O)N1C=C[C@H](C)c2ccccc21 39126141 132191325 /nfs/dbraw/zinc/19/13/25/132191325.db2.gz BVJLFGCAKSYHFW-VIFPVBQESA-N 0 0 187.242 2.670 10 0 AFAERN CCN1CCNc2cc(C)c(C)cc21 57923438 132193260 /nfs/dbraw/zinc/19/32/60/132193260.db2.gz JCJPQOSZUWAUQW-UHFFFAOYSA-N 0 0 190.290 2.555 10 0 AFAERN CCN1c2ccccc2NCC1(C)C 57923288 132193594 /nfs/dbraw/zinc/19/35/94/132193594.db2.gz QVCCOGJKZNZGLL-UHFFFAOYSA-N 0 0 190.290 2.717 10 0 AFAERN CC[C@@H]1CNc2ccccc2N1CC 57923281 132193685 /nfs/dbraw/zinc/19/36/85/132193685.db2.gz RGZBPEYHQLWNEX-SNVBAGLBSA-N 0 0 190.290 2.717 10 0 AFAERN CC1=CON(c2ccccc2)CC1 346110 132193729 /nfs/dbraw/zinc/19/37/29/132193729.db2.gz YGESUQYEAIMFSC-UHFFFAOYSA-N 0 0 175.231 2.732 10 0 AFAERN C1=CC[C@@H](Nc2ccccn2)CC1 80120882 133420148 /nfs/dbraw/zinc/42/01/48/133420148.db2.gz HDRDWVLDOJIEGQ-SNVBAGLBSA-N 0 0 174.247 2.602 10 0 AFAERN O=Cc1cc2cccccc-2c1 39263082 136408390 /nfs/dbraw/zinc/40/83/90/136408390.db2.gz MOIKTCZDRKBPGR-UHFFFAOYSA-N 0 0 156.184 2.604 10 0 AFAERN C[C@@H](NC(=O)C(C)(C)C)C1CCCC1 78676811 136409557 /nfs/dbraw/zinc/40/95/57/136409557.db2.gz SPRPWDORNHNBJH-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1ccc(-c2ccc(O)cc2)o1 188712 342931318 /nfs/dbraw/zinc/93/13/18/342931318.db2.gz UOXBXKKHDDIQIU-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN Cc1ccc(F)cc1-n1cccc1 1519703 342946170 /nfs/dbraw/zinc/94/61/70/342946170.db2.gz SSIUCIUVWSANLQ-UHFFFAOYSA-N 0 0 175.206 2.925 10 0 AFAERN c1cncc(NC2CCCCC2)c1 1512295 342946199 /nfs/dbraw/zinc/94/61/99/342946199.db2.gz VQCUNLULNARQRI-UHFFFAOYSA-N 0 0 176.263 2.826 10 0 AFAERN Cc1ccc(F)c(-n2cccc2)c1 1519667 342946223 /nfs/dbraw/zinc/94/62/23/342946223.db2.gz VMTZXNDSXIKMLW-UHFFFAOYSA-N 0 0 175.206 2.925 10 0 AFAERN CCC(=O)[C@@H](C)[C@H](C)CC 2002566 342965833 /nfs/dbraw/zinc/96/58/33/342965833.db2.gz IRIIDIBXOJRBDH-SFYZADRCSA-N 0 0 142.242 2.648 10 0 AFAERN CC(C)C/C=C(\CO)C(C)C 2006900 342966197 /nfs/dbraw/zinc/96/61/97/342966197.db2.gz VUGJPGPMYGKRPW-UXBLZVDNSA-N 0 0 156.269 2.607 10 0 AFAERN Cc1cccc2c1C[C@H](C)C2 2003563 342966225 /nfs/dbraw/zinc/96/62/25/342966225.db2.gz GBDOKROGRPXCLR-MRVPVSSYSA-N 0 0 146.233 2.730 10 0 AFAERN C[C@@H]1Cc2ccccc2[C@@H]1C 2018205 342966851 /nfs/dbraw/zinc/96/68/51/342966851.db2.gz DIUGYPAVPJILFZ-RKDXNWHRSA-N 0 0 146.233 2.982 10 0 AFAERN Cc1ccc(N2CCCC2)cc1 2563876 342976866 /nfs/dbraw/zinc/97/68/66/342976866.db2.gz STRWKFUEXQHMFW-UHFFFAOYSA-N 0 0 161.248 2.595 10 0 AFAERN CC[C@@H](OC)c1ccc(OC)cc1 3033134 342980399 /nfs/dbraw/zinc/98/03/99/342980399.db2.gz LRPQHVAGARYGFO-LLVKDONJSA-N 0 0 180.247 2.793 10 0 AFAERN Cc1csc(-n2c(C)ccc2C)n1 3389661 342982383 /nfs/dbraw/zinc/98/23/83/342982383.db2.gz SYVILSLNYNVMFF-UHFFFAOYSA-N 0 0 192.287 2.859 10 0 AFAERN CC(C)O/C=C1\CCC[C@@H](C)C1=O 4831071 342996151 /nfs/dbraw/zinc/99/61/51/342996151.db2.gz QNWIKZBTPZIPSV-YIXGCBLDSA-N 0 0 182.263 2.684 10 0 AFAERN CCc1ccc(C)c(CC)c1N 5140311 342999130 /nfs/dbraw/zinc/99/91/30/342999130.db2.gz OXYMEFWXAVMOEB-UHFFFAOYSA-N 0 0 163.264 2.702 10 0 AFAERN Cc1ccc(N)cc1NC(C)(C)C 5419945 343002409 /nfs/dbraw/zinc/00/24/09/343002409.db2.gz LQIOQITTZDEHKW-UHFFFAOYSA-N 0 0 178.279 2.788 10 0 AFAERN Cc1c(N)cccc1NC(C)(C)C 5419404 343002414 /nfs/dbraw/zinc/00/24/14/343002414.db2.gz BSKTXZVFRLLJML-UHFFFAOYSA-N 0 0 178.279 2.788 10 0 AFAERN CC1=CC[C@@H]([C@@H](C)CCO)CC1 5457628 343002993 /nfs/dbraw/zinc/00/29/93/343002993.db2.gz JTVKFAPEIBMMHX-WDEREUQCSA-N 0 0 168.280 2.751 10 0 AFAERN CC1=CCC(C)(C)C(=O)CC1 5457406 343003121 /nfs/dbraw/zinc/00/31/21/343003121.db2.gz SKKTZNHVYFHGDC-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN CC1=CC[C@H]([C@H](C)CCO)CC1 5457544 343003127 /nfs/dbraw/zinc/00/31/27/343003127.db2.gz JTVKFAPEIBMMHX-MNOVXSKESA-N 0 0 168.280 2.751 10 0 AFAERN CC1(C)C[C@H](O)c2ccccc2S1 5482225 343003462 /nfs/dbraw/zinc/00/34/62/343003462.db2.gz ZWHQAURZECDBDR-VIFPVBQESA-N 0 0 194.299 2.994 10 0 AFAERN CC1(C)C[C@@H](O)c2ccccc2S1 5482236 343003486 /nfs/dbraw/zinc/00/34/86/343003486.db2.gz ZWHQAURZECDBDR-SECBINFHSA-N 0 0 194.299 2.994 10 0 AFAERN ClC1=NO[C@H](c2ccccc2)C1 5518751 343004293 /nfs/dbraw/zinc/00/42/93/343004293.db2.gz RQKHDLVXQFONPI-QMMMGPOBSA-N 0 0 181.622 2.700 10 0 AFAERN CCCCC[C@H](O)c1ccco1 5513288 343004312 /nfs/dbraw/zinc/00/43/12/343004312.db2.gz DWNAWEKBEBTKDE-VIFPVBQESA-N 0 0 168.236 2.893 10 0 AFAERN CCCC[C@@H](CC)C(C)=O 5821715 343008927 /nfs/dbraw/zinc/00/89/27/343008927.db2.gz PPKSOKLRYCVQPM-SECBINFHSA-N 0 0 142.242 2.792 10 0 AFAERN CCCC[C@H](C)CC(C)=O 5821997 343008946 /nfs/dbraw/zinc/00/89/46/343008946.db2.gz YLMJOCWAOWDKBL-QMMMGPOBSA-N 0 0 142.242 2.792 10 0 AFAERN CCOC(=O)[C@H](C)C1CCCCC1 5857310 343009187 /nfs/dbraw/zinc/00/91/87/343009187.db2.gz PZUDDXJZNSJESK-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CC[C@]1(c2ccccc2)CCC(=O)O1 5923960 343009884 /nfs/dbraw/zinc/00/98/84/343009884.db2.gz WXXZXKBYBHWQHW-GFCCVEGCSA-N 0 0 190.242 2.629 10 0 AFAERN C[C@H](O)[C@@H](C)CC1CCCCC1 6020447 343011135 /nfs/dbraw/zinc/01/11/35/343011135.db2.gz UNFLPVPOSGWAPY-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)[C@@H]1CCCC(C)(C)C1 6021148 343011144 /nfs/dbraw/zinc/01/11/44/343011144.db2.gz BVUYQSFBRKUJNK-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN COc1ccc(Cl)c(Cl)c1O 6018063 343011174 /nfs/dbraw/zinc/01/11/74/343011174.db2.gz HPJJNGSXKRZHMO-UHFFFAOYSA-N 0 0 193.029 2.708 10 0 AFAERN CC(=O)[C@@H](C(C)C)[C@@H](C(C)=O)C(C)C 6036010 343011557 /nfs/dbraw/zinc/01/15/57/343011557.db2.gz YNJBURGZLQLQNE-VXGBXAGGSA-N 0 0 198.306 2.709 10 0 AFAERN CC(=O)O[C@H](C)C1CCCCC1 6036060 343011576 /nfs/dbraw/zinc/01/15/76/343011576.db2.gz JAVZALBKNIHSLL-MRVPVSSYSA-N 0 0 170.252 2.518 10 0 AFAERN CC(C)[C@@H]1CCC(=O)[C@H](C)C1 6031345 343011578 /nfs/dbraw/zinc/01/15/78/343011578.db2.gz PSNQKTODENQMIO-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@@H]1CCC(=O)[C@@H](C)C1 6037948 343011988 /nfs/dbraw/zinc/01/19/88/343011988.db2.gz PSNQKTODENQMIO-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1c(O)cccc1C(C)C 6069052 343012451 /nfs/dbraw/zinc/01/24/51/343012451.db2.gz NKXINWNCBKRRIC-UHFFFAOYSA-N 0 0 150.221 2.824 10 0 AFAERN CCOC(=O)[C@@H](C)C1CCCCC1 5856646 343009168 /nfs/dbraw/zinc/00/91/68/343009168.db2.gz PZUDDXJZNSJESK-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN CC1(C)[C@]2(C)CC[C@@H](C2)[C@@]1(C)O 6782537 343016454 /nfs/dbraw/zinc/01/64/54/343016454.db2.gz QPNYENSVFYUWIZ-JMJZKYOTSA-N 0 0 168.280 2.584 10 0 AFAERN CCCC[C@@H](NO)c1ccccc1 8700237 343020069 /nfs/dbraw/zinc/02/00/69/343020069.db2.gz NZAFEZYPQXJNKN-LLVKDONJSA-N 0 0 179.263 2.897 10 0 AFAERN CNc1cc(C)c2ccccc2n1 10637315 343022652 /nfs/dbraw/zinc/02/26/52/343022652.db2.gz QXIYZJMIWUAYDH-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN Cc1cccc2c1NC[C@H](C)C2 11633168 343023536 /nfs/dbraw/zinc/02/35/36/343023536.db2.gz ABSMMYREZSOMJM-MRVPVSSYSA-N 0 0 161.248 2.599 10 0 AFAERN Cc1cc(C)c2c(c1)NC[C@@H](C)C2 11633173 343023549 /nfs/dbraw/zinc/02/35/49/343023549.db2.gz ITIPUILVMZPVFY-VIFPVBQESA-N 0 0 175.275 2.908 10 0 AFAERN Cc1ccc2c(c1C)NC[C@H](C)C2 11633216 343024048 /nfs/dbraw/zinc/02/40/48/343024048.db2.gz QYIRYIFBMUCUAK-MRVPVSSYSA-N 0 0 175.275 2.908 10 0 AFAERN CC[C@@H]1CNc2c(cccc2OC)C1 11633243 343024049 /nfs/dbraw/zinc/02/40/49/343024049.db2.gz IJBBZWJLRXKMFU-VIFPVBQESA-N 0 0 191.274 2.689 10 0 AFAERN CC[C@@H]1CNc2c(C)cccc2C1 11633229 343024063 /nfs/dbraw/zinc/02/40/63/343024063.db2.gz GHZATUZKVORYKC-JTQLQIEISA-N 0 0 175.275 2.989 10 0 AFAERN CCc1cc(CC)nc(CC)c1 13234150 343033664 /nfs/dbraw/zinc/03/36/64/343033664.db2.gz XVMNXGCQCHNBEN-UHFFFAOYSA-N 0 0 163.264 2.769 10 0 AFAERN CCCCCc1ccc(CO)cc1 13527333 343035616 /nfs/dbraw/zinc/03/56/16/343035616.db2.gz BLJFSKSNWKPEOR-UHFFFAOYSA-N 0 0 178.275 2.912 10 0 AFAERN C[C@H]1CCCc2ccc(O)cc21 14724261 343040292 /nfs/dbraw/zinc/04/02/92/343040292.db2.gz LANVOUZWYFDRQJ-QMMMGPOBSA-N 0 0 162.232 2.832 10 0 AFAERN CCCC[C@@H]1OC(=O)[C@@H]2CCCC[C@@H]12 14917021 343040304 /nfs/dbraw/zinc/04/03/04/343040304.db2.gz TZRMFZSOOVBPPN-MXWKQRLJSA-N 0 0 196.290 2.908 10 0 endogenous,in-man AFAERN Cc1cc(F)c2c(Cl)n[nH]c2c1 14983873 343040671 /nfs/dbraw/zinc/04/06/71/343040671.db2.gz WHTOELFTCYAXAO-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN CCc1ccccc1[C@H]1CCC[C@@H]1O 15440829 343041771 /nfs/dbraw/zinc/04/17/71/343041771.db2.gz HPMFTPFDSMPWNL-OLZOCXBDSA-N 0 0 190.286 2.877 10 0 AFAERN CC[C@H]1CCC[C@]2(CCCCO2)O1 15204948 343041778 /nfs/dbraw/zinc/04/17/78/343041778.db2.gz XEIORBGGNNMWTB-QWRGUYRKSA-N 0 0 184.279 2.862 10 0 AFAERN Cc1cc(C)cc([C@@H]2CCC[C@@H]2O)c1 15440819 343041779 /nfs/dbraw/zinc/04/17/79/343041779.db2.gz RTFUOQYIAKJGKU-STQMWFEESA-N 0 0 190.286 2.932 10 0 AFAERN Cc1cccc([C@H]2CCC[C@H]2O)c1 15440903 343042099 /nfs/dbraw/zinc/04/20/99/343042099.db2.gz YMIRSVURTBQGSK-VXGBXAGGSA-N 0 0 176.259 2.623 10 0 AFAERN Cc1ccc([C@H]2CCC[C@H]2O)cc1F 15440856 343042319 /nfs/dbraw/zinc/04/23/19/343042319.db2.gz AWXPGMQDSFFUOI-ZYHUDNBSSA-N 0 0 194.249 2.763 10 0 AFAERN CC(C)n1ccc2cc(CO)ccc21 20550520 343074383 /nfs/dbraw/zinc/07/43/83/343074383.db2.gz ZJMHGJXCPMYWJN-UHFFFAOYSA-N 0 0 189.258 2.715 10 0 AFAERN CCc1ccc(N2CCCC2)cc1 21995210 343077160 /nfs/dbraw/zinc/07/71/60/343077160.db2.gz BKHRSNWMLQPFSY-UHFFFAOYSA-N 0 0 175.275 2.849 10 0 AFAERN CCCCNc1nc(C)cs1 20566183 343074408 /nfs/dbraw/zinc/07/44/08/343074408.db2.gz GYOTWOYOGBNQAV-UHFFFAOYSA-N 0 0 170.281 2.664 10 0 AFAERN CC(C)[C@H](O)c1ccc(F)cc1 32006497 343095794 /nfs/dbraw/zinc/09/57/94/343095794.db2.gz NVTZVRJGHWXKET-JTQLQIEISA-N 0 0 168.211 2.515 10 0 AFAERN CC[C@H]1CNc2cc(N)ccc2S1 26509624 343088652 /nfs/dbraw/zinc/08/86/52/343088652.db2.gz QPNXKCVASYRILF-QMMMGPOBSA-N 0 0 194.303 2.565 10 0 AFAERN CC[C@H](C)n1cc[nH]c1=S 26515508 343089223 /nfs/dbraw/zinc/08/92/23/343089223.db2.gz GSUIHDQFYWLDKW-LURJTMIESA-N 0 0 156.254 2.517 10 0 AFAERN CC[C@@H](C)n1cc[nH]c1=S 26515506 343089233 /nfs/dbraw/zinc/08/92/33/343089233.db2.gz GSUIHDQFYWLDKW-ZCFIWIBFSA-N 0 0 156.254 2.517 10 0 AFAERN Cc1cnn([C@H]2CCCC[C@H]2C)c1N 26516521 343089577 /nfs/dbraw/zinc/08/95/77/343089577.db2.gz KMNFSBDKMIDZEZ-SCZZXKLOSA-N 0 0 193.294 2.525 10 0 AFAERN CCCC(=O)c1ccc2n[nH]cc2c1 31893124 343094160 /nfs/dbraw/zinc/09/41/60/343094160.db2.gz ABVKOMJDTBBSQC-UHFFFAOYSA-N 0 0 188.230 2.546 10 0 AFAERN COc1cc(C)c(C)c(C)c1 32162415 343098931 /nfs/dbraw/zinc/09/89/31/343098931.db2.gz ZUOSUPPLZLEAMB-UHFFFAOYSA-N 0 0 150.221 2.620 10 0 AFAERN c1cc2c3c(cccc3c1)COC2 32180995 343099757 /nfs/dbraw/zinc/09/97/57/343099757.db2.gz OMRSFKWMIDIMKJ-UHFFFAOYSA-N 0 0 170.211 2.870 10 0 AFAERN Cc1cccc(OC(=O)C(C)(C)C)c1 32180550 343099762 /nfs/dbraw/zinc/09/97/62/343099762.db2.gz CHJUBXZEBVYVQV-UHFFFAOYSA-N 0 0 192.258 2.947 10 0 AFAERN CC1(c2ccc(O)cc2)CCC1 32170928 343099778 /nfs/dbraw/zinc/09/97/78/343099778.db2.gz YJVBYTWPIVBJHZ-UHFFFAOYSA-N 0 0 162.232 2.834 10 0 AFAERN C[C@@]1(O)CCCCC12CCCC2 32171799 343099787 /nfs/dbraw/zinc/09/97/87/343099787.db2.gz FMWYGDCRQTUHJN-SNVBAGLBSA-N 0 0 168.280 2.872 10 0 biogenic,in-vitro AFAERN Cc1cccc(OC(=O)C(C)C)c1 32180485 343099794 /nfs/dbraw/zinc/09/97/94/343099794.db2.gz CGXNGUPLQGZMAC-UHFFFAOYSA-N 0 0 178.231 2.556 10 0 AFAERN C[C@H]1CSc2ccccc21 32172950 343099796 /nfs/dbraw/zinc/09/97/96/343099796.db2.gz PXUVIKWTMKACRQ-ZETCQYMHSA-N 0 0 150.246 2.896 10 0 AFAERN Cc1cc(C)cc(OC(=O)C2CC2)c1 32180015 343099799 /nfs/dbraw/zinc/09/97/99/343099799.db2.gz TYGXPZHSCQEDFV-UHFFFAOYSA-N 0 0 190.242 2.619 10 0 AFAERN Cc1cc(C)c2c(c1)CCCC2=O 32189150 343100229 /nfs/dbraw/zinc/10/02/29/343100229.db2.gz SOPWTZMYDFACMR-UHFFFAOYSA-N 0 0 174.243 2.822 10 0 AFAERN Cc1ccc(C)c2c1C(=O)C[C@H]2C 32198400 343100644 /nfs/dbraw/zinc/10/06/44/343100644.db2.gz FSBIQEDMEKAAMA-SECBINFHSA-N 0 0 174.243 2.993 10 0 AFAERN Cc1ccc(C)c2c1C(=O)C[C@@H]2C 32198404 343100656 /nfs/dbraw/zinc/10/06/56/343100656.db2.gz FSBIQEDMEKAAMA-VIFPVBQESA-N 0 0 174.243 2.993 10 0 AFAERN Cc1ccc(C)c([C@@H](O)C(C)C)c1 32007201 343096203 /nfs/dbraw/zinc/09/62/03/343096203.db2.gz JTJZTXWESMBZAL-LBPRGKRZSA-N 0 0 178.275 2.993 10 0 AFAERN CC(C)[C@@H](O)Cc1ccccc1Cl 32009725 343097175 /nfs/dbraw/zinc/09/71/75/343097175.db2.gz OJHDEHWWYSLVGI-NSHDSACASA-N 0 0 198.693 2.899 10 0 AFAERN CCc1cc2ccc(C)cc2nc1N 32099278 343097711 /nfs/dbraw/zinc/09/77/11/343097711.db2.gz CBSNZCXGLQGRMO-UHFFFAOYSA-N 0 0 186.258 2.688 10 0 AFAERN C/C=C/[C@H](O)CCCCC 33951748 343108080 /nfs/dbraw/zinc/10/80/80/343108080.db2.gz ZIWXVGHUDKNNSH-IYNCYZAOSA-N 0 0 142.242 2.504 10 0 AFAERN CCCCCC1=N[C@@H](C)CN=C1C 33951737 343108082 /nfs/dbraw/zinc/10/80/82/343108082.db2.gz WGZOVGGCHYCMNG-VIFPVBQESA-N 0 0 180.295 2.871 10 0 AFAERN CCCCCC1=NC[C@@H](C)N=C1C 33951721 343108086 /nfs/dbraw/zinc/10/80/86/343108086.db2.gz GWJHFKSBVJBUAR-SECBINFHSA-N 0 0 180.295 2.871 10 0 AFAERN C[C@H]1CCC[C@](O)(C(C)(C)C)C1 33952961 343108095 /nfs/dbraw/zinc/10/80/95/343108095.db2.gz PYDPNWPNDMTDCF-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC/C=C/C=C/C(C)=O 33950831 343108109 /nfs/dbraw/zinc/10/81/09/343108109.db2.gz KGVVLDOJDFWSCL-BLHCBFLLSA-N 0 0 152.237 2.878 10 0 AFAERN C[C@H]1CCC[C@@](O)(C(C)(C)C)C1 33952963 343108126 /nfs/dbraw/zinc/10/81/26/343108126.db2.gz PYDPNWPNDMTDCF-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C/c1ccc(C)o1 33951630 343108130 /nfs/dbraw/zinc/10/81/30/343108130.db2.gz QXSXKNKKQRKGJB-ONEGZZNKSA-N 0 0 122.167 2.621 10 0 AFAERN C/C=C(/C)C(=O)OC[C@H](C)CC 33949624 343108131 /nfs/dbraw/zinc/10/81/31/343108131.db2.gz DEJJNOHKWLTTKE-WSQKDGNHSA-N 0 0 170.252 2.542 10 0 AFAERN C/C=C/[C@@H](O)CCCCC 33951747 343108137 /nfs/dbraw/zinc/10/81/37/343108137.db2.gz ZIWXVGHUDKNNSH-ILFKPUCNSA-N 0 0 142.242 2.504 10 0 AFAERN CC[C@H](C)C[C@H](C)CCCO 33605484 343105574 /nfs/dbraw/zinc/10/55/74/343105574.db2.gz JOWDWXPTKVUHBV-VHSXEESVSA-N 0 0 158.285 2.831 10 0 AFAERN Cc1cc(CO)cc(C(C)(C)C)c1 33608744 343105935 /nfs/dbraw/zinc/10/59/35/343105935.db2.gz QOKKZXRTROQJFO-UHFFFAOYSA-N 0 0 178.275 2.785 10 0 AFAERN CO/C=C(\C)c1ccccc1 33650196 343106350 /nfs/dbraw/zinc/10/63/50/343106350.db2.gz ULUXLULNGFEVHJ-CMDGGOBGSA-N 0 0 148.205 2.694 10 0 AFAERN Oc1cc(Cl)ccc1C1CC1 34099043 343110323 /nfs/dbraw/zinc/11/03/23/343110323.db2.gz BUDSFJXHYBEWIJ-UHFFFAOYSA-N 0 0 168.623 2.923 10 0 AFAERN Cc1ccc(C)c2ncc(O)cc12 34115575 343110878 /nfs/dbraw/zinc/11/08/78/343110878.db2.gz QSYKSJLVDHZYPZ-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN CCN(CC)[P@@]1(=O)CC=C(C)C1 34111673 343110889 /nfs/dbraw/zinc/11/08/89/343110889.db2.gz POVOZGZDRWNCNN-GFCCVEGCSA-N 0 0 187.223 2.566 10 0 AFAERN C/C=C(\OC)c1ccccc1 34179352 343112737 /nfs/dbraw/zinc/11/27/37/343112737.db2.gz QDKIWMYIJVIPNE-KMKOMSMNSA-N 0 0 148.205 2.694 10 0 AFAERN O=Cc1cccnc1Nc1ccccc1 34202109 343113259 /nfs/dbraw/zinc/11/32/59/343113259.db2.gz HZSLRVHPUHYYFP-UHFFFAOYSA-N 0 0 198.225 2.638 10 0 AFAERN CCOC(=O)/C(C)=C/CC(C)C 34240060 343114430 /nfs/dbraw/zinc/11/44/30/343114430.db2.gz JCWIGMSIWFQAMN-VQHVLOKHSA-N 0 0 170.252 2.542 10 0 AFAERN CCCC[C@@H](O)c1cccs1 34263227 343114916 /nfs/dbraw/zinc/11/49/16/343114916.db2.gz CLCAGDACKZCZCM-MRVPVSSYSA-N 0 0 170.277 2.972 10 0 AFAERN CC(C)[C@H](O)/C=C/c1ccccc1 34060814 343109250 /nfs/dbraw/zinc/10/92/50/343109250.db2.gz DBZFJCXQJLIGCS-IDVQTMNDSA-N 0 0 176.259 2.717 10 0 AFAERN C[C@@]12CC=CC[C@@H]1C(=O)CCC2 34265526 343114931 /nfs/dbraw/zinc/11/49/31/343114931.db2.gz VTQOEYKHCBSWSN-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN OCC/C=C/c1ccc(Cl)cc1 34257260 343114933 /nfs/dbraw/zinc/11/49/33/343114933.db2.gz LLXGJQSYUTVTAP-HNQUOIGGSA-N 0 0 182.650 2.736 10 0 AFAERN Cc1ccc(C)c(Cl)c1O 34333839 343116759 /nfs/dbraw/zinc/11/67/59/343116759.db2.gz IWTHPYQNDPLHIX-UHFFFAOYSA-N 0 0 156.612 2.662 10 0 AFAERN Cc1nc(/C=C/c2ccccc2)no1 34353745 343117181 /nfs/dbraw/zinc/11/71/81/343117181.db2.gz FUVDZQFKRKLVKZ-BQYQJAHWSA-N 0 0 186.214 2.548 10 0 AFAERN CC1(C)CCC(CCO)CC1 34414127 343118856 /nfs/dbraw/zinc/11/88/56/343118856.db2.gz SVNRZNYAUYWNBY-UHFFFAOYSA-N 0 0 156.269 2.585 10 0 AFAERN CCOC(=O)CCC(C1CC1)C1CC1 34414969 343118872 /nfs/dbraw/zinc/11/88/72/343118872.db2.gz DMUMHMVXHUGRDS-UHFFFAOYSA-N 0 0 196.290 2.766 10 0 AFAERN c1cc2c(ccc3c[nH]cc32)cn1 34413348 343118910 /nfs/dbraw/zinc/11/89/10/343118910.db2.gz KAEVCDYEZDMIKI-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN Cc1c(CO)ccc2ccccc12 34447608 343119400 /nfs/dbraw/zinc/11/94/00/343119400.db2.gz CAZAKZQHCQEODF-UHFFFAOYSA-N 0 0 172.227 2.641 10 0 AFAERN CSc1cc(-c2ccco2)on1 34260339 343114964 /nfs/dbraw/zinc/11/49/64/343114964.db2.gz RVAQKHRKGPLZEY-UHFFFAOYSA-N 0 0 181.216 2.657 10 0 AFAERN C[C@@]12CC=CC[C@H]1C(=O)CCC2 34265527 343114965 /nfs/dbraw/zinc/11/49/65/343114965.db2.gz VTQOEYKHCBSWSN-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Clc1c[nH]nc1-c1ccccc1 34256665 343114986 /nfs/dbraw/zinc/11/49/86/343114986.db2.gz IOUPHQSPQSPNIO-UHFFFAOYSA-N 0 0 178.622 2.730 10 0 AFAERN COc1cc(O)cc(Cl)c1Cl 34259044 343114991 /nfs/dbraw/zinc/11/49/91/343114991.db2.gz VLVWNAYQOZYPNB-UHFFFAOYSA-N 0 0 193.029 2.708 10 0 AFAERN CC(C)c1ccc2c(c1)NCC2 34276255 343115369 /nfs/dbraw/zinc/11/53/69/343115369.db2.gz QZEQZIPFKWYJFS-UHFFFAOYSA-N 0 0 161.248 2.778 10 0 AFAERN CCCC(C)(C)CC(=O)OCC 34266748 343115376 /nfs/dbraw/zinc/11/53/76/343115376.db2.gz ZDAFYPGTJKATQZ-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN Cc1ccc(-c2nc(C)c[nH]2)cc1 34278645 343115693 /nfs/dbraw/zinc/11/56/93/343115693.db2.gz SLBOPPAMJWJICL-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN Nc1cc(F)c(F)c(Cl)c1Cl 34283289 343115768 /nfs/dbraw/zinc/11/57/68/343115768.db2.gz FRMOYVMCHSMLIZ-UHFFFAOYSA-N 0 0 197.999 2.854 10 0 AFAERN CCCCOCc1ccccc1 34285997 343115809 /nfs/dbraw/zinc/11/58/09/343115809.db2.gz GKSVLTDJDPSPLO-UHFFFAOYSA-N 0 0 163.240 2.817 10 0 AFAERN Cl/C=C/CNc1ccccc1 34567198 343122222 /nfs/dbraw/zinc/12/22/22/343122222.db2.gz DCONTOYFBUTBAX-QPJJXVBHSA-N 0 0 167.639 2.851 10 0 AFAERN COc1c(C(C)=O)ccc(C)c1C 34567735 343122230 /nfs/dbraw/zinc/12/22/30/343122230.db2.gz IEVYYSXLWYFCBH-UHFFFAOYSA-N 0 0 178.231 2.515 10 0 AFAERN CC[C@H](O)c1ccc([C@@H](O)CC)cc1 34618921 343123739 /nfs/dbraw/zinc/12/37/39/343123739.db2.gz ZLSGKEYZOMEBHR-RYUDHWBXSA-N 0 0 194.274 2.573 10 0 AFAERN C=C=CCCOCc1ccccc1 34618216 343123741 /nfs/dbraw/zinc/12/37/41/343123741.db2.gz PIJNBZANVYLWRA-UHFFFAOYSA-N 0 0 174.243 2.934 10 0 AFAERN Cc1cccc(Cc2ccc(O)cc2)n1 34638766 343124061 /nfs/dbraw/zinc/12/40/61/343124061.db2.gz PZZQGSSIWCISSG-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN COc1c(C)ccc(Cl)c1C 34742795 343124421 /nfs/dbraw/zinc/12/44/21/343124421.db2.gz GPXXVGQEHCGCTR-UHFFFAOYSA-N 0 0 170.639 2.965 10 0 AFAERN CC(C)c1cc(O)ccc1N=O 34727829 343124435 /nfs/dbraw/zinc/12/44/35/343124435.db2.gz CBFNVMRJXHRYSY-UHFFFAOYSA-N 0 0 165.192 2.914 10 0 AFAERN C[C@]1(O)CCCCc2ccccc21 34742148 343124451 /nfs/dbraw/zinc/12/44/51/343124451.db2.gz ZWZAXGQBIQTXDS-LBPRGKRZSA-N 0 0 176.259 2.621 10 0 AFAERN OCC/C=C/C1CCCCC1 34448542 343119441 /nfs/dbraw/zinc/11/94/41/343119441.db2.gz YKKJHHKZYSPQEY-XBXARRHUSA-N 0 0 154.253 2.505 10 0 AFAERN C[C@@H]1C[C@@H](c2ccccc2)CO1 34540025 343121581 /nfs/dbraw/zinc/12/15/81/343121581.db2.gz TUUOALULEYRGIX-MWLCHTKSSA-N 0 0 162.232 2.579 10 0 AFAERN Cc1ccc(OC(C)C)c([C@@H](C)O)c1 35630153 343134988 /nfs/dbraw/zinc/13/49/88/343134988.db2.gz IYNRSOWCEASLKF-SNVBAGLBSA-N 0 0 194.274 2.836 10 0 AFAERN Cc1ccc(C)n1CC1CCC1 35651151 343135497 /nfs/dbraw/zinc/13/54/97/343135497.db2.gz QMNKMXVHARYCOY-UHFFFAOYSA-N 0 0 163.264 2.905 10 0 AFAERN CC(C)[C@H](C)n1cccc1 35651169 343135514 /nfs/dbraw/zinc/13/55/14/343135514.db2.gz NVCAJSXZCMUOSI-VIFPVBQESA-N 0 0 137.226 2.705 10 0 AFAERN CC[C@H](C)c1cccc2c1OCC2=O 35652506 343135535 /nfs/dbraw/zinc/13/55/35/343135535.db2.gz GLLDBQUEHZCHFS-QMMMGPOBSA-N 0 0 190.242 2.775 10 0 AFAERN Cc1ccc(C)n1[C@H](C)[C@H]1CCCO1 35736542 343137957 /nfs/dbraw/zinc/13/79/57/343137957.db2.gz JALQRBQTRIEJDE-VXGBXAGGSA-N 0 0 193.290 2.845 10 0 AFAERN Cc1cnn(C2CCCCCC2)c1N 34964033 343126776 /nfs/dbraw/zinc/12/67/76/343126776.db2.gz KIAHBMQMDQUPBU-UHFFFAOYSA-N 0 0 193.294 2.669 10 0 AFAERN CCC(C)(C)n1cc[nH]c1=S 34964262 343126788 /nfs/dbraw/zinc/12/67/88/343126788.db2.gz XHRFRGTZTHKOJI-UHFFFAOYSA-N 0 0 170.281 2.691 10 0 AFAERN Cc1cnc(-n2c(C)ccc2C)s1 35120338 343128284 /nfs/dbraw/zinc/12/82/84/343128284.db2.gz ZZLJDGRHADOPRU-UHFFFAOYSA-N 0 0 192.287 2.859 10 0 AFAERN CCC(=O)c1cc(OC)ccc1Cl 36181652 343141736 /nfs/dbraw/zinc/14/17/36/343141736.db2.gz BITXODCLGQGRSW-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CC(C)Oc1ccc(Cl)cc1O 36193313 343141737 /nfs/dbraw/zinc/14/17/37/343141737.db2.gz FCCNMQQWEVSKNC-UHFFFAOYSA-N 0 0 186.638 2.833 10 0 AFAERN C[C@H](c1ccco1)n1cc[nH]c1=S 35739531 343138139 /nfs/dbraw/zinc/13/81/39/343138139.db2.gz SKEJBQLXLAQDKL-SSDOTTSWSA-N 0 0 194.259 2.748 10 0 AFAERN CC[C@H](C)Nc1ccc(N(C)C)cc1 36335359 343144539 /nfs/dbraw/zinc/14/45/39/343144539.db2.gz UGXYINOQDDOOFQ-JTQLQIEISA-N 0 0 192.306 2.963 10 0 AFAERN O=C1c2ccccc2CCC[C@H]1F 36466585 343146344 /nfs/dbraw/zinc/14/63/44/343146344.db2.gz PCDWTHLRANYQRB-SNVBAGLBSA-N 0 0 178.206 2.544 10 0 AFAERN CCCC/C(C)=C/CCO 36466180 343146345 /nfs/dbraw/zinc/14/63/45/343146345.db2.gz ALBGDUNSWUFLEV-VQHVLOKHSA-N 0 0 142.242 2.505 10 0 AFAERN CCCCCC1=CCC[C@@H]1O 36466274 343146354 /nfs/dbraw/zinc/14/63/54/343146354.db2.gz WSTAVRJAAUOVKA-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H](O)C[C@@H](C)OC1=CCCCC1 36466697 343146357 /nfs/dbraw/zinc/14/63/57/343146357.db2.gz QJJMGPBBUHGQSJ-NXEZZACHSA-N 0 0 184.279 2.620 10 0 AFAERN C[C@H]1CCCC[C@@]1(O)c1ccco1 36459060 343146361 /nfs/dbraw/zinc/14/63/61/343146361.db2.gz IVQIAFCLNSZEFQ-ONGXEEELSA-N 0 0 180.247 2.677 10 0 AFAERN CCOC(=O)/C(F)=C\c1ccccc1 36466879 343146363 /nfs/dbraw/zinc/14/63/63/343146363.db2.gz YLDYYTGJNSYKME-CSKARUKUSA-N 0 0 194.205 2.560 10 0 AFAERN CCOC(=O)/C(C)=C/[C@@H](C)CC 36466492 343146384 /nfs/dbraw/zinc/14/63/84/343146384.db2.gz RERDVRSWGQYAKI-INTFFVIUSA-N 0 0 170.252 2.542 10 0 AFAERN CCC[S@@](=O)c1ccc(C)cc1 36466665 343146389 /nfs/dbraw/zinc/14/63/89/343146389.db2.gz PAKKXSULXNLYDV-LBPRGKRZSA-N 0 0 182.288 2.513 10 0 AFAERN O=C1c2ccccc2CCC[C@@H]1F 36466584 343146400 /nfs/dbraw/zinc/14/64/00/343146400.db2.gz PCDWTHLRANYQRB-JTQLQIEISA-N 0 0 178.206 2.544 10 0 AFAERN C[C@H]1CCCC[C@]1(O)c1ccco1 36459058 343146404 /nfs/dbraw/zinc/14/64/04/343146404.db2.gz IVQIAFCLNSZEFQ-GXSJLCMTSA-N 0 0 180.247 2.677 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1ccc(F)cc1 36940582 343155395 /nfs/dbraw/zinc/15/53/95/343155395.db2.gz YOHJXBBXASAQHA-GMSGAONNSA-N 0 0 178.206 2.664 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1ccc(F)cc1 36940580 343155400 /nfs/dbraw/zinc/15/54/00/343155400.db2.gz YOHJXBBXASAQHA-XVKPBYJWSA-N 0 0 178.206 2.664 10 0 AFAERN Cc1cc(N)ccc1NCC(C)C 36950099 343155986 /nfs/dbraw/zinc/15/59/86/343155986.db2.gz FWSNPFJDXKBFHL-UHFFFAOYSA-N 0 0 178.279 2.645 10 0 AFAERN CC[C@H](C)N(C)c1ccc(F)cc1N 37109467 343159780 /nfs/dbraw/zinc/15/97/80/343159780.db2.gz WWALYZHRTBPZSI-QMMMGPOBSA-N 0 0 196.269 2.643 10 0 AFAERN CC[C@H](C)N(C)c1cccc(N)c1 37109457 343159813 /nfs/dbraw/zinc/15/98/13/343159813.db2.gz HOPNVKDKSDZELA-VIFPVBQESA-N 0 0 178.279 2.504 10 0 AFAERN CC[C@H](C)Nc1ccc(O)cc1 37132005 343161150 /nfs/dbraw/zinc/16/11/50/343161150.db2.gz DOZHZJYZGJFQEP-QMMMGPOBSA-N 0 0 165.236 2.603 10 0 AFAERN Cc1ccc(NCC2CCC2)c(N)c1 37180410 343162002 /nfs/dbraw/zinc/16/20/02/343162002.db2.gz HTHKUZYGKQMGFC-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CCC(=O)CCc1cccc(F)c1 36988254 343157364 /nfs/dbraw/zinc/15/73/64/343157364.db2.gz XFVBWVVGXCNCBF-UHFFFAOYSA-N 0 0 180.222 2.737 10 0 AFAERN CCC(=O)CCc1ccc(F)cc1 36988256 343157489 /nfs/dbraw/zinc/15/74/89/343157489.db2.gz PFCUOXHHCCQRKK-UHFFFAOYSA-N 0 0 180.222 2.737 10 0 AFAERN CN(c1cccc(N)c1)C1CCCC1 37083993 343159168 /nfs/dbraw/zinc/15/91/68/343159168.db2.gz OYKNGVVQSGWKHA-UHFFFAOYSA-N 0 0 190.290 2.648 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1 37350570 343165844 /nfs/dbraw/zinc/16/58/44/343165844.db2.gz LVSHNLMZNIDNCN-INTQDDNPSA-N 0 0 184.279 2.559 10 0 AFAERN CC(C)[C@](C)(O)c1ccc(F)cc1 37379304 343166784 /nfs/dbraw/zinc/16/67/84/343166784.db2.gz QAHCKRABYRZGMO-NSHDSACASA-N 0 0 182.238 2.689 10 0 AFAERN CC(C)[C@@](C)(O)c1ccc(F)cc1 37379307 343166785 /nfs/dbraw/zinc/16/67/85/343166785.db2.gz QAHCKRABYRZGMO-LLVKDONJSA-N 0 0 182.238 2.689 10 0 AFAERN CC[C@@](C)(O)Cc1ccc(F)cc1 37463587 343169062 /nfs/dbraw/zinc/16/90/62/343169062.db2.gz DSEIERVRFUSZCA-LLVKDONJSA-N 0 0 182.238 2.529 10 0 AFAERN Cc1ccc(C[C@@](C)(O)C(C)C)cc1 37463630 343169235 /nfs/dbraw/zinc/16/92/35/343169235.db2.gz POSRRLYQXPFRRZ-CYBMUJFWSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1cc(C)cc([C@H](O)C2CC2)c1 37746068 343177592 /nfs/dbraw/zinc/17/75/92/343177592.db2.gz ULOPQUPKWVSXRQ-GFCCVEGCSA-N 0 0 176.259 2.747 10 0 AFAERN CC[C@H](C)[C@@](C)(O)c1ccccc1 37745637 343177599 /nfs/dbraw/zinc/17/75/99/343177599.db2.gz JJYZAAGVSUZICR-CMPLNLGQSA-N 0 0 178.275 2.940 10 0 AFAERN CC[C@H](N)c1nc2cc(C)ccc2o1 37746369 343177609 /nfs/dbraw/zinc/17/76/09/343177609.db2.gz FVPVTCWFALGUDW-QMMMGPOBSA-N 0 0 190.246 2.546 10 0 AFAERN CC[C@H](C)[C@@](C)(O)C1CCCC1 37745629 343177615 /nfs/dbraw/zinc/17/76/15/343177615.db2.gz QDIQWQKMKNPHGY-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](N)c1nc2cc(C)ccc2o1 37746370 343177617 /nfs/dbraw/zinc/17/76/17/343177617.db2.gz FVPVTCWFALGUDW-MRVPVSSYSA-N 0 0 190.246 2.546 10 0 AFAERN Cc1cc(C)cc([C@H](O)C(C)C)c1 37746052 343177632 /nfs/dbraw/zinc/17/76/32/343177632.db2.gz RVGZPWJPWCVEEY-GFCCVEGCSA-N 0 0 178.275 2.993 10 0 AFAERN Cc1ccc(NCC(F)F)c(F)c1 37755833 343177983 /nfs/dbraw/zinc/17/79/83/343177983.db2.gz IQGJGMODRVBKBO-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN Cc1cccc2c1SC[C@H](C)C2=O 37665864 343173422 /nfs/dbraw/zinc/17/34/22/343173422.db2.gz HPDOBEYMIBWHBZ-QMMMGPOBSA-N 0 0 192.283 2.920 10 0 AFAERN CC(C)SCc1ccccc1N 37685273 343173712 /nfs/dbraw/zinc/17/37/12/343173712.db2.gz UGMUCBHETNRWBO-UHFFFAOYSA-N 0 0 181.304 2.910 10 0 AFAERN Cc1ccc(-c2ncc[nH]2)cc1F 37974124 343182920 /nfs/dbraw/zinc/18/29/20/343182920.db2.gz PFALPCCDRDYSGB-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN Cc1cc(C)cc(CC(=O)C2CC2)c1 38077183 343184059 /nfs/dbraw/zinc/18/40/59/343184059.db2.gz BQVDXSRORCCTBO-UHFFFAOYSA-N 0 0 188.270 2.825 10 0 AFAERN CCc1ccc(C(=O)CSC)cc1 38064022 343184158 /nfs/dbraw/zinc/18/41/58/343184158.db2.gz RBFYRIYNLYBWRB-UHFFFAOYSA-N 0 0 194.299 2.795 10 0 AFAERN Cc1cc(C)cc(C[C@@H](O)C2CC2)c1 38077265 343184640 /nfs/dbraw/zinc/18/46/40/343184640.db2.gz IBWZKJCGYIHNPF-CYBMUJFWSA-N 0 0 190.286 2.617 10 0 AFAERN CC[C@@H](CO)Nc1ccc(Cl)cc1 38119631 343184894 /nfs/dbraw/zinc/18/48/94/343184894.db2.gz ZQKFJZUKWZLRSZ-VIFPVBQESA-N 0 0 199.681 2.523 10 0 AFAERN C[C@H]1C[C@H]1C(=O)Cc1ccc(F)cc1 38126378 343185274 /nfs/dbraw/zinc/18/52/74/343185274.db2.gz OWIHSITZCZWFPH-GZMMTYOYSA-N 0 0 192.233 2.593 10 0 AFAERN C[C@H]1C[C@H]1C(=O)Cc1cccs1 38126083 343185276 /nfs/dbraw/zinc/18/52/76/343185276.db2.gz FDJGTLKURVGCSM-IONNQARKSA-N 0 0 180.272 2.516 10 0 AFAERN C[C@H]1C[C@H]1C(=O)Cc1ccsc1 38125608 343185278 /nfs/dbraw/zinc/18/52/78/343185278.db2.gz UGPUCMBLDCQVEO-IONNQARKSA-N 0 0 180.272 2.516 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)Cc1ccc(F)cc1 38126376 343185280 /nfs/dbraw/zinc/18/52/80/343185280.db2.gz OWIHSITZCZWFPH-KWQFWETISA-N 0 0 192.233 2.593 10 0 AFAERN C[C@H]1C[C@H]1C(=O)Cc1cccc(F)c1 38126732 343185312 /nfs/dbraw/zinc/18/53/12/343185312.db2.gz UOUQCQJVJZNLPF-GZMMTYOYSA-N 0 0 192.233 2.593 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)Cc1cccs1 38126081 343185325 /nfs/dbraw/zinc/18/53/25/343185325.db2.gz FDJGTLKURVGCSM-CBAPKCEASA-N 0 0 180.272 2.516 10 0 AFAERN C[C@H]1Cc2c(Cl)cccc2[C@H]1O 38312448 343186989 /nfs/dbraw/zinc/18/69/89/343186989.db2.gz LEUQQJLHGVCNQW-WKEGUHRASA-N 0 0 182.650 2.566 10 0 AFAERN CC(=O)c1ccccc1-c1ccccn1 38297914 343186997 /nfs/dbraw/zinc/18/69/97/343186997.db2.gz JTROGWFWKYVJRD-UHFFFAOYSA-N 0 0 197.237 2.951 10 0 AFAERN Cc1cnc([C@H](O)C(C)(C)C)c(C)c1 38325186 343187479 /nfs/dbraw/zinc/18/74/79/343187479.db2.gz ASAUETSFEMISFS-NSHDSACASA-N 0 0 193.290 2.778 10 0 AFAERN CC(C)Sc1ccccc1C=O 38363316 343187771 /nfs/dbraw/zinc/18/77/71/343187771.db2.gz UGPQFYISFDNTAZ-UHFFFAOYSA-N 0 0 180.272 3.000 10 0 AFAERN COC(=O)[C@H](C)[C@@H](C)c1ccccc1 38416498 343188279 /nfs/dbraw/zinc/18/82/79/343188279.db2.gz RTBLGSDOURZOPN-NXEZZACHSA-N 0 0 192.258 2.599 10 0 AFAERN C/C(=C\CO)c1ccc(C)cc1C 38523260 343188625 /nfs/dbraw/zinc/18/86/25/343188625.db2.gz XBMJBHITAKUVJZ-UXBLZVDNSA-N 0 0 176.259 2.699 10 0 AFAERN CC1CCC(n2ccnc2)CC1 38522863 343188750 /nfs/dbraw/zinc/18/87/50/343188750.db2.gz GUKBVVHZUNVTGA-UHFFFAOYSA-N 0 0 164.252 2.634 10 0 AFAERN Cc1ccc(-c2cc(C)no2)cc1 38583226 343189895 /nfs/dbraw/zinc/18/98/95/343189895.db2.gz XRXUUGGPAJLQRU-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1ccc(-c2cccnc2)c(O)c1 38212656 343185664 /nfs/dbraw/zinc/18/56/64/343185664.db2.gz UFWBJLZTXPGTLU-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN O=C1CCC[C@H]1CC1CCCC1 38220429 343185739 /nfs/dbraw/zinc/18/57/39/343185739.db2.gz ZNBUWHBIAFKSNM-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN COC(=O)/C(C)=C/c1ccc(C)cc1 38266461 343186335 /nfs/dbraw/zinc/18/63/35/343186335.db2.gz SYANPFVYQBHFPH-CSKARUKUSA-N 0 0 190.242 2.571 10 0 AFAERN CC(C)[C@@H](O)/C=C/c1ccccc1 38282389 343186493 /nfs/dbraw/zinc/18/64/93/343186493.db2.gz DBZFJCXQJLIGCS-BCPZQOPPSA-N 0 0 176.259 2.717 10 0 AFAERN Cc1ccc([C@@]2(C)CCC(=O)O2)cc1 38266468 343186507 /nfs/dbraw/zinc/18/65/07/343186507.db2.gz SXSKLDSQMFZPAR-GFCCVEGCSA-N 0 0 190.242 2.547 10 0 AFAERN Cc1cccc([C@]23CCC(=O)[C@H]2C3)c1 38276440 343186509 /nfs/dbraw/zinc/18/65/09/343186509.db2.gz OJELCSKJFJDVSK-DGCLKSJQSA-N 0 0 186.254 2.616 10 0 AFAERN C[C@@]1(Cl)CCc2ccccc2C1=O 38283448 343186522 /nfs/dbraw/zinc/18/65/22/343186522.db2.gz NGABYHGSKDOQKJ-LLVKDONJSA-N 0 0 194.661 2.813 10 0 AFAERN C=CC[C@H](CC)C(=O)CCC 38292503 343186527 /nfs/dbraw/zinc/18/65/27/343186527.db2.gz KQVITHXADANQKX-VIFPVBQESA-N 0 0 154.253 2.958 10 0 AFAERN CCC(=O)c1c(C)cccc1C 38282224 343186592 /nfs/dbraw/zinc/18/65/92/343186592.db2.gz WLBLYVXBQNJTEU-UHFFFAOYSA-N 0 0 162.232 2.896 10 0 AFAERN C[C@H]1Cc2c(Cl)cccc2[C@@H]1O 38312444 343186900 /nfs/dbraw/zinc/18/69/00/343186900.db2.gz LEUQQJLHGVCNQW-QUBYGPBYSA-N 0 0 182.650 2.566 10 0 AFAERN CC(=O)O[C@@H](C)/C=C\c1ccccc1 38811914 343191092 /nfs/dbraw/zinc/19/10/92/343191092.db2.gz DSWDNUYFUXOVBI-QROTZFDESA-N 0 0 190.242 2.651 10 0 AFAERN CC(C)=CC[C@H](C)CCCO 38864839 343191504 /nfs/dbraw/zinc/19/15/04/343191504.db2.gz QHCKHMNWDOGGNV-SNVBAGLBSA-N 0 0 156.269 2.751 10 0 AFAERN Cc1cc2ccncc2s1 38873449 343191521 /nfs/dbraw/zinc/19/15/21/343191521.db2.gz UFCFTDIPQQTTNA-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN C/C=C/C[C@H](O)c1ccccc1 38864971 343191522 /nfs/dbraw/zinc/19/15/22/343191522.db2.gz GTPNDSIWHNAACI-VUDBWIFFSA-N 0 0 162.232 2.686 10 0 AFAERN CC(C)=CC[C@@H](C)CCCO 38864837 343191524 /nfs/dbraw/zinc/19/15/24/343191524.db2.gz QHCKHMNWDOGGNV-JTQLQIEISA-N 0 0 156.269 2.751 10 0 AFAERN Cc1ncn(Cc2ccccc2)c1C 38892756 343191902 /nfs/dbraw/zinc/19/19/02/343191902.db2.gz MOHDDALAXSGGQZ-UHFFFAOYSA-N 0 0 186.258 2.548 10 0 AFAERN Cc1cccc2[nH]c(C(C)C)nc12 38995994 343192666 /nfs/dbraw/zinc/19/26/66/343192666.db2.gz PCTHPRWIRUPGAC-UHFFFAOYSA-N 0 0 174.247 2.995 10 0 AFAERN CC1(C)CCCc2cc(CO)ccc21 39018051 343192893 /nfs/dbraw/zinc/19/28/93/343192893.db2.gz HSYZYPHWRFFLCM-UHFFFAOYSA-N 0 0 190.286 2.793 10 0 AFAERN Cc1ncccc1CC(C)C 39051887 343194082 /nfs/dbraw/zinc/19/40/82/343194082.db2.gz OENODJPDTAXGNG-UHFFFAOYSA-N 0 0 149.237 2.589 10 0 AFAERN O=C(Cl)[C@H]1CC[C@H]2CCC[C@@H]12 39056348 343194686 /nfs/dbraw/zinc/19/46/86/343194686.db2.gz OQILNGGRRHAVQS-PRJMDXOYSA-N 0 0 172.655 2.578 10 0 AFAERN CC/C(=C\C(=O)OC)c1ccccc1 38672276 343190055 /nfs/dbraw/zinc/19/00/55/343190055.db2.gz ROEVDKBMXAIMTK-MDZDMXLPSA-N 0 0 190.242 2.653 10 0 AFAERN CC(C)n1ccc(=S)cc1 39103207 343198610 /nfs/dbraw/zinc/19/86/10/343198610.db2.gz NOZFKKVPOVNMFA-UHFFFAOYSA-N 0 0 153.250 2.798 10 0 AFAERN CC(C)[C@@H]1Cc2ccccc2N1 39103783 343198966 /nfs/dbraw/zinc/19/89/66/343198966.db2.gz GWNZOQHSRQLOIF-NSHDSACASA-N 0 0 161.248 2.679 10 0 AFAERN CC(C)c1c[nH]c(=S)s1 39103610 343198967 /nfs/dbraw/zinc/19/89/67/343198967.db2.gz DZEXDJPDIOHNDQ-UHFFFAOYSA-N 0 0 159.279 2.555 10 0 AFAERN Cc1nc(C)c(C(C)C)nc1C 39103953 343199038 /nfs/dbraw/zinc/19/90/38/343199038.db2.gz NRXVFTHLMODNEQ-UHFFFAOYSA-N 0 0 164.252 2.525 10 0 AFAERN Cc1nn2ccccc2c1C(C)C 39104728 343199322 /nfs/dbraw/zinc/19/93/22/343199322.db2.gz GEMCVCNHIAFWIO-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN C[C@H]1CC[C@H](Oc2ccc(O)cc2)C1 39112201 343199675 /nfs/dbraw/zinc/19/96/75/343199675.db2.gz IMCAYXFRKBPIOH-CABZTGNLSA-N 0 0 192.258 2.960 10 0 AFAERN CCC(CC)c1cnc(C)c(C)n1 39114118 343200485 /nfs/dbraw/zinc/20/04/85/343200485.db2.gz HONJRKJERIOOIX-UHFFFAOYSA-N 0 0 178.279 2.997 10 0 AFAERN CCCCCSc1cc[n+]([O-])cc1 39117098 343201663 /nfs/dbraw/zinc/20/16/63/343201663.db2.gz XOUPGTSTCBPUBI-UHFFFAOYSA-N 0 0 197.303 2.602 10 0 AFAERN CCc1cc(C(C)=O)ccc1F 39071876 343196309 /nfs/dbraw/zinc/19/63/09/343196309.db2.gz SUDNYIIMGQPMSS-UHFFFAOYSA-N 0 0 166.195 2.591 10 0 AFAERN Cc1ccc2ncccc2c1F 39088879 343197708 /nfs/dbraw/zinc/19/77/08/343197708.db2.gz VJQLIGCPWCIGEJ-UHFFFAOYSA-N 0 0 161.179 2.682 10 0 AFAERN Cc1cc2occ(C)c2cc1O 39136402 343204204 /nfs/dbraw/zinc/20/42/04/343204204.db2.gz IMABOBLFKQOVOD-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1cccc(CC(C)C)c1N 39136112 343204207 /nfs/dbraw/zinc/20/42/07/343204207.db2.gz LEXUXYNIWQTLQP-UHFFFAOYSA-N 0 0 163.264 2.776 10 0 AFAERN Cc1cccc(Cc2ccncc2)c1 39189608 343205604 /nfs/dbraw/zinc/20/56/04/343205604.db2.gz DZPJCZVXGZYGTH-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN Cc1cccc(Cc2cccnc2)c1 39208552 343206106 /nfs/dbraw/zinc/20/61/06/343206106.db2.gz IPAQTJCAEKQEMW-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN CC(C)=CCC(CO)=C(C)C 39205653 343206161 /nfs/dbraw/zinc/20/61/61/343206161.db2.gz ANCLCXLWDBALHX-UHFFFAOYSA-N 0 0 154.253 2.671 10 0 AFAERN CCCC[C@H]1OCCC(C)(C)O1 39209479 343206175 /nfs/dbraw/zinc/20/61/75/343206175.db2.gz HSTBLNQCXFPDKK-VIFPVBQESA-N 0 0 172.268 2.718 10 0 AFAERN Clc1ncc(-c2ccsc2)cn1 39213310 343206426 /nfs/dbraw/zinc/20/64/26/343206426.db2.gz MPWTVPSTJZXWKZ-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN FC(F)(F)/C=C/c1cccnc1 39270100 343209372 /nfs/dbraw/zinc/20/93/72/343209372.db2.gz VZUHAARILCZHPP-ONEGZZNKSA-N 0 0 173.137 2.657 10 0 AFAERN CC1(C)CCCCC(=O)C1 39270296 343209385 /nfs/dbraw/zinc/20/93/85/343209385.db2.gz RQSOYFCJVXBPSR-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN C=C=CP(=O)(OCC)OCC 39271796 343209509 /nfs/dbraw/zinc/20/95/09/343209509.db2.gz HSTDWLTWVXEIPZ-UHFFFAOYSA-N 0 0 176.152 2.551 10 0 AFAERN CCP(=O)(CC)c1ccccc1 39280425 343209743 /nfs/dbraw/zinc/20/97/43/343209743.db2.gz NTWZKDSMPFHONS-UHFFFAOYSA-N 0 0 182.203 2.715 10 0 AFAERN CCC(=O)c1ccc2ccccc2n1 39284394 343209749 /nfs/dbraw/zinc/20/97/49/343209749.db2.gz SBYYJKFRUVIVEG-UHFFFAOYSA-N 0 0 185.226 2.828 10 0 AFAERN Cc1cc(C=O)c2cccc(C)c2n1 39280938 343209768 /nfs/dbraw/zinc/20/97/68/343209768.db2.gz RNPRFQJSXWYDFS-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN CCOC(=O)c1cccc(C(C)C)c1 39277288 343209775 /nfs/dbraw/zinc/20/97/75/343209775.db2.gz CSIYGOAYHWKJDD-UHFFFAOYSA-N 0 0 192.258 2.987 10 0 AFAERN O=C1C=CS[C@@H](c2ccccc2)C1 39278509 343209791 /nfs/dbraw/zinc/20/97/91/343209791.db2.gz DSOGSTMUZHTXLS-LLVKDONJSA-N 0 0 190.267 2.947 10 0 AFAERN Cc1cc(C)c2nc(C)cc(C=O)c2c1 39280940 343209809 /nfs/dbraw/zinc/20/98/09/343209809.db2.gz ZUVHUDSCWLQLCI-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN CC(C)c1cc(Cl)n2nccc2n1 39214637 343206535 /nfs/dbraw/zinc/20/65/35/343206535.db2.gz GRQIXJHNWSPHKI-UHFFFAOYSA-N 0 0 195.653 2.506 10 0 AFAERN C(=C/c1cccnc1)\c1cccnc1 39214411 343206544 /nfs/dbraw/zinc/20/65/44/343206544.db2.gz LJUIBUKIAISMFU-AATRIKPKSA-N 0 0 182.226 2.647 10 0 AFAERN CC(C)Cc1cccc(O)c1 39223143 343206791 /nfs/dbraw/zinc/20/67/91/343206791.db2.gz ZKSISJGIJFEBMS-UHFFFAOYSA-N 0 0 150.221 2.591 10 0 AFAERN C[C@H]1CC(=O)c2c(F)ccc(F)c21 39222160 343206824 /nfs/dbraw/zinc/20/68/24/343206824.db2.gz VPUZXEGGNFLNNF-YFKPBYRVSA-N 0 0 182.169 2.655 10 0 AFAERN O=C1C=C2c3ccccc3C[C@H]2CC1 39240497 343207525 /nfs/dbraw/zinc/20/75/25/343207525.db2.gz JROFGDQDOURIRX-SNVBAGLBSA-N 0 0 184.238 2.605 10 0 AFAERN CC(=O)[C@@H](C)Nc1c(C)cccc1C 39236715 343207530 /nfs/dbraw/zinc/20/75/30/343207530.db2.gz NWWCCJJNIZLMSD-SNVBAGLBSA-N 0 0 191.274 2.693 10 0 AFAERN O=C1CCC[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]12 39254039 343208545 /nfs/dbraw/zinc/20/85/45/343208545.db2.gz JYNUEKHIJHFMJO-WDCWCFNPSA-N 0 0 176.259 2.568 10 0 AFAERN Cc1ccc2nc(C)c(Cl)nc2c1 39270978 343209330 /nfs/dbraw/zinc/20/93/30/343209330.db2.gz OSXHMCWHYOPKTN-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN Cc1cccc(-c2ccc(CO)cn2)c1 39927630 343214096 /nfs/dbraw/zinc/21/40/96/343214096.db2.gz MBHAPTLMXSFBBY-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN CC(=O)CC[C@@H](C)C(C)C 39347582 343211286 /nfs/dbraw/zinc/21/12/86/343211286.db2.gz WQCPCHUHFFYMFU-MRVPVSSYSA-N 0 0 142.242 2.648 10 0 AFAERN C/C=C/CCCCCCCO 39383363 343211540 /nfs/dbraw/zinc/21/15/40/343211540.db2.gz USAHNNPOSAWOSH-NSCUHMNNSA-N 0 0 156.269 2.895 10 0 AFAERN COc1cc2c(cc1Cl)CCC2 39383432 343211658 /nfs/dbraw/zinc/21/16/58/343211658.db2.gz ARBRBZWJNAZCFN-UHFFFAOYSA-N 0 0 182.650 2.837 10 0 AFAERN O=C1OCc2c1ccc1ccccc21 39398523 343211895 /nfs/dbraw/zinc/21/18/95/343211895.db2.gz XFEIBWHNFQLPAF-UHFFFAOYSA-N 0 0 184.194 2.510 10 0 AFAERN Cc1ccc([C@H](O)c2ccccc2)o1 40216524 343215791 /nfs/dbraw/zinc/21/57/91/343215791.db2.gz YZEUHKZUSVTLNV-GFCCVEGCSA-N 0 0 188.226 2.670 10 0 AFAERN CC(C)c1nc(-c2ccccc2)n[nH]1 40175766 343215894 /nfs/dbraw/zinc/21/58/94/343215894.db2.gz OWNSTUUIDTWHBY-UHFFFAOYSA-N 0 0 187.246 2.595 10 0 AFAERN Fc1sccc1Br 40710686 343221287 /nfs/dbraw/zinc/22/12/87/343221287.db2.gz PWTOFGDQGZBIMR-UHFFFAOYSA-N 0 0 181.029 2.650 10 0 AFAERN Cc1ccc(-c2ccc(F)cc2N)o1 41048895 343227293 /nfs/dbraw/zinc/22/72/93/343227293.db2.gz SHWRPFMBYHOPLT-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN CCCC(=O)Oc1ccc(F)cc1 40889911 343223642 /nfs/dbraw/zinc/22/36/42/343223642.db2.gz FLZFDURJALRUIM-UHFFFAOYSA-N 0 0 182.194 2.531 10 0 AFAERN CC(C)c1n[nH]c(CC2CCCC2)n1 41057059 343229273 /nfs/dbraw/zinc/22/92/73/343229273.db2.gz UTOGJXQRTSKHKG-UHFFFAOYSA-N 0 0 193.294 2.661 10 0 AFAERN Cc1cccc([C@@H](O)C2CC2)c1C 41199611 343231546 /nfs/dbraw/zinc/23/15/46/343231546.db2.gz MVSPOIQESCMFMR-LBPRGKRZSA-N 0 0 176.259 2.747 10 0 AFAERN Cc1cc(C)c([C@@H](C)CO)c(C)c1 41200559 343231588 /nfs/dbraw/zinc/23/15/88/343231588.db2.gz DBXMHCIEGUDLGH-NSHDSACASA-N 0 0 178.275 2.708 10 0 AFAERN CCc1ccc2c(c1)C(=O)C[C@@H]2C 41198857 343231592 /nfs/dbraw/zinc/23/15/92/343231592.db2.gz JYDWZDLJJNYUOV-QMMMGPOBSA-N 0 0 174.243 2.939 10 0 AFAERN CCC(=O)CCC1CCCC1 42375090 343241177 /nfs/dbraw/zinc/24/11/77/343241177.db2.gz AIQFWXRKSMVAMG-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN Cc1c(C=O)cnn1C1CCCCC1 42355305 343241180 /nfs/dbraw/zinc/24/11/80/343241180.db2.gz CHHBSVCQTYFIHV-UHFFFAOYSA-N 0 0 192.262 2.509 10 0 AFAERN CC[C@H](C)[C@H](C)n1cn[nH]c1=S 42557502 343247444 /nfs/dbraw/zinc/24/74/44/343247444.db2.gz HFEUHPHSRUZIBN-BQBZGAKWSA-N 0 0 185.296 2.548 10 0 AFAERN CC[C@H](C)[C@@H](C)n1cn[nH]c1=S 42557496 343247502 /nfs/dbraw/zinc/24/75/02/343247502.db2.gz HFEUHPHSRUZIBN-NKWVEPMBSA-N 0 0 185.296 2.548 10 0 AFAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/[N+](=O)[O-])o1 42905165 343250241 /nfs/dbraw/zinc/25/02/41/343250241.db2.gz MMIPIXGOTWQMIU-HZMPTLLJSA-N 0 0 193.202 2.650 10 0 AFAERN C[C@@H]1C[C@H]1c1ccc(/C=C/[N+](=O)[O-])o1 42905171 343250467 /nfs/dbraw/zinc/25/04/67/343250467.db2.gz MMIPIXGOTWQMIU-JSRGBMGHSA-N 0 0 193.202 2.650 10 0 AFAERN COCC(=O)c1ccccc1C(C)C 43504873 343252741 /nfs/dbraw/zinc/25/27/41/343252741.db2.gz NRZJOQXHFOXZLO-UHFFFAOYSA-N 0 0 192.258 2.639 10 0 AFAERN Cc1ccc(C(=O)c2ccoc2C)o1 43608959 343256423 /nfs/dbraw/zinc/25/64/23/343256423.db2.gz KESGACCVVAHBRB-UHFFFAOYSA-N 0 0 190.198 2.720 10 0 AFAERN Cc1cc(C(=O)c2ccco2)c(C)o1 43606704 343256583 /nfs/dbraw/zinc/25/65/83/343256583.db2.gz CETDNJDNAIZIKQ-UHFFFAOYSA-N 0 0 190.198 2.720 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@H]2C)c(C)o1 43609444 343256586 /nfs/dbraw/zinc/25/65/86/343256586.db2.gz SEPVTAZGJSHZOH-MUWHJKNJSA-N 0 0 178.231 2.735 10 0 AFAERN Cc1ccc(C(N)c2ccc(C)o2)o1 43609893 343256599 /nfs/dbraw/zinc/25/65/99/343256599.db2.gz QIZRZJJSSHIGRX-UHFFFAOYSA-N 0 0 191.230 2.538 10 0 AFAERN Cc1cc(C(=O)c2ccoc2)c(C)o1 43609289 343256631 /nfs/dbraw/zinc/25/66/31/343256631.db2.gz JQVJGHWMMSDCKE-UHFFFAOYSA-N 0 0 190.198 2.720 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@@H]2C)c(C)o1 43609436 343256635 /nfs/dbraw/zinc/25/66/35/343256635.db2.gz SEPVTAZGJSHZOH-IMTBSYHQSA-N 0 0 178.231 2.735 10 0 AFAERN Cc1cccnc1C(=O)CC(C)C 43616270 343257000 /nfs/dbraw/zinc/25/70/00/343257000.db2.gz ZZEIFHBCEYOIQI-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1cc(C)c2c(c1C)O[C@@H](C)C2=O 43633090 343257438 /nfs/dbraw/zinc/25/74/38/343257438.db2.gz PPDDERFXUBAEEB-VIFPVBQESA-N 0 0 190.242 2.575 10 0 AFAERN CCc1ccc(-c2cc(N)on2)s1 43640201 343257776 /nfs/dbraw/zinc/25/77/76/343257776.db2.gz FTLIYJYZPGGWDI-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CCC[C@@H]1CCCCCC1=O 43650070 343258138 /nfs/dbraw/zinc/25/81/38/343258138.db2.gz ZNKCSGMUBTZFAM-SECBINFHSA-N 0 0 154.253 2.936 10 0 AFAERN C/C=C/C[C@H]1C[C@H](C)CCC1=O 43651930 343258447 /nfs/dbraw/zinc/25/84/47/343258447.db2.gz JZOLPGOBEAKTEV-OKWQPMOJSA-N 0 0 166.264 2.958 10 0 AFAERN C/C=C/C[C@H]1C[C@@H](C)CCC1=O 43651934 343258506 /nfs/dbraw/zinc/25/85/06/343258506.db2.gz JZOLPGOBEAKTEV-OHINUGQQSA-N 0 0 166.264 2.958 10 0 AFAERN CCC[C@@H]1CC[C@H](O)[C@H](C)C1 43661062 343258806 /nfs/dbraw/zinc/25/88/06/343258806.db2.gz INOPXYFZMODIBL-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H]1C[C@@H](CC)CC[C@@H]1O 43660772 343258817 /nfs/dbraw/zinc/25/88/17/343258817.db2.gz APCJGJRKDIPDKO-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O 43661223 343258822 /nfs/dbraw/zinc/25/88/22/343258822.db2.gz RAHOWIIWWZHXET-BBBLOLIVSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@@H](C)Nc1cncc(Cl)n1 43537082 343254747 /nfs/dbraw/zinc/25/47/47/343254747.db2.gz UAIZMTHQQBGZDR-SSDOTTSWSA-N 0 0 199.685 2.586 10 0 AFAERN Oc1csc(Nc2ccccc2)n1 44176296 343261417 /nfs/dbraw/zinc/26/14/17/343261417.db2.gz WHKPJEBTRHSJSZ-UHFFFAOYSA-N 0 0 192.243 2.592 10 0 AFAERN Cc1ccsc1C(=O)C(C)C 44415612 343265443 /nfs/dbraw/zinc/26/54/43/343265443.db2.gz XIMNIGHGEMYQHB-UHFFFAOYSA-N 0 0 168.261 2.895 10 0 AFAERN CC[C@@H]1CCC(=O)[C@H](CC)C1 44468772 343265760 /nfs/dbraw/zinc/26/57/60/343265760.db2.gz RJFKUVSNSOEKPD-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H]1C[C@H](CC)CCC1=O 44468778 343265779 /nfs/dbraw/zinc/26/57/79/343265779.db2.gz RJFKUVSNSOEKPD-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H]1CCC(=O)[C@H](CC)C1 44468775 343265792 /nfs/dbraw/zinc/26/57/92/343265792.db2.gz RJFKUVSNSOEKPD-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H]1CCC(=O)[C@@H](CC)C1 44468781 343265799 /nfs/dbraw/zinc/26/57/99/343265799.db2.gz RJFKUVSNSOEKPD-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN Fc1cccc(F)c1NC1CCC1 44480561 343266768 /nfs/dbraw/zinc/26/67/68/343266768.db2.gz CXNOZYYIAGWXOD-UHFFFAOYSA-N 0 0 183.201 2.929 10 0 AFAERN Cc1cc(Cl)cc2sc(=O)[nH]c12 44676017 343268038 /nfs/dbraw/zinc/26/80/38/343268038.db2.gz SVFLGWFTUVQKNU-UHFFFAOYSA-N 0 0 199.662 2.551 10 0 AFAERN COc1c(F)cccc1C(C)C 44699984 343268075 /nfs/dbraw/zinc/26/80/75/343268075.db2.gz BBXZCGPULRBMHB-UHFFFAOYSA-N 0 0 168.211 2.958 10 0 AFAERN Cc1ccc(Cl)c2[nH]c(=O)sc12 45235711 343271625 /nfs/dbraw/zinc/27/16/25/343271625.db2.gz BFMGXUFLDNPPJP-UHFFFAOYSA-N 0 0 199.662 2.551 10 0 AFAERN CC[C@H](O)c1nc2ccccc2s1 45237067 343271687 /nfs/dbraw/zinc/27/16/87/343271687.db2.gz VCCWOBVVQHFRGS-QMMMGPOBSA-N 0 0 193.271 2.740 10 0 AFAERN Cc1nc2c(Cl)ccc(N)c2s1 45236969 343271757 /nfs/dbraw/zinc/27/17/57/343271757.db2.gz MGNVYFCGOBMTKC-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN CCc1nc2cccc(O)c2s1 45236742 343271764 /nfs/dbraw/zinc/27/17/64/343271764.db2.gz NKIQLYRMTAIUSW-UHFFFAOYSA-N 0 0 179.244 2.564 10 0 AFAERN Cc1ccc2nc(F)sc2c1 45237889 343271807 /nfs/dbraw/zinc/27/18/07/343271807.db2.gz TXVVFXGDVSZTRI-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN Cc1nc2ccc(Cl)c(N)c2s1 45237827 343271808 /nfs/dbraw/zinc/27/18/08/343271808.db2.gz YKYDADRMPATXIQ-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN Cc1cnc(C2CCCCC2)cn1 45814407 343272333 /nfs/dbraw/zinc/27/23/33/343272333.db2.gz YTBFGVVZOQOLHK-UHFFFAOYSA-N 0 0 176.263 2.833 10 0 AFAERN Cc1ccc(-c2ccccc2)c(N)n1 47207245 343273155 /nfs/dbraw/zinc/27/31/55/343273155.db2.gz WQVWRJMULMPCHG-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccc(N)c(-c2ccccc2)n1 47207253 343273178 /nfs/dbraw/zinc/27/31/78/343273178.db2.gz UEOVSTVTINQETC-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccc2[nH]cc(Cl)c2n1 44712876 343268386 /nfs/dbraw/zinc/26/83/86/343268386.db2.gz SRRDNVZWZKHKIS-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN Cc1nccc2c(Cl)c[nH]c12 44713155 343268745 /nfs/dbraw/zinc/26/87/45/343268745.db2.gz QENLCYJBJNMRDP-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 in-vitro AFAERN Cc1nc2c(C(C)C)cccc2[nH]1 45074651 343271364 /nfs/dbraw/zinc/27/13/64/343271364.db2.gz CIIJRIOZLWEWJW-UHFFFAOYSA-N 0 0 174.247 2.995 10 0 AFAERN Cc1n[nH]c(C)c1NCC1CCCC1 50271574 343280709 /nfs/dbraw/zinc/28/07/09/343280709.db2.gz SYYJKHPJAFMWGH-UHFFFAOYSA-N 0 0 193.294 2.629 10 0 AFAERN Cc1nc(C2CCCC2)c(N)s1 50308166 343281110 /nfs/dbraw/zinc/28/11/10/343281110.db2.gz NYPYWQJTINSJSQ-UHFFFAOYSA-N 0 0 182.292 2.691 10 0 AFAERN CCC(CC)c1ncsc1N 50308041 343281134 /nfs/dbraw/zinc/28/11/34/343281134.db2.gz SHEFAUQPUWXZEM-UHFFFAOYSA-N 0 0 170.281 2.629 10 0 AFAERN CCc1nc(C2CCCC2)sc1N 50309458 343281484 /nfs/dbraw/zinc/28/14/84/343281484.db2.gz TUKDNFZRZVWKTB-UHFFFAOYSA-N 0 0 196.319 2.945 10 0 AFAERN CC(C)c1nc2c(s1)C(=O)CCC2 50329673 343281799 /nfs/dbraw/zinc/28/17/99/343281799.db2.gz MCNNHMLJBFEHMB-UHFFFAOYSA-N 0 0 195.287 2.786 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)C1=CCCCCC1 50329626 343281859 /nfs/dbraw/zinc/28/18/59/343281859.db2.gz YLBIGJYJACQQPB-YUSALJHKSA-N 0 0 180.291 2.894 10 0 AFAERN Cc1ccc(-c2coc(N)n2)c(C)c1 50266278 343280645 /nfs/dbraw/zinc/28/06/45/343280645.db2.gz MGIFGHVXWKPYIV-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cccnc1N[C@@H]1CC1(C)C 51041192 343288344 /nfs/dbraw/zinc/28/83/44/343288344.db2.gz RBYYXLYDBJEVGM-SECBINFHSA-N 0 0 176.263 2.600 10 0 AFAERN CCc1ccc(C(=O)[C@H]2C[C@@H]2C)o1 51726202 343292273 /nfs/dbraw/zinc/29/22/73/343292273.db2.gz HXFSATPSBPDGIN-CBAPKCEASA-N 0 0 178.231 2.681 10 0 AFAERN Cc1cccc(OCCCCCO)c1 51020435 343287918 /nfs/dbraw/zinc/28/79/18/343287918.db2.gz GQMMWTJAWCSJFK-UHFFFAOYSA-N 0 0 194.274 2.536 10 0 AFAERN Cc1cccnc1N[C@H]1CC1(C)C 51041193 343288293 /nfs/dbraw/zinc/28/82/93/343288293.db2.gz RBYYXLYDBJEVGM-VIFPVBQESA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccnc1NCC1CCCC1 51040900 343288312 /nfs/dbraw/zinc/28/83/12/343288312.db2.gz PCUAPEHXEYJQAU-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN CCC(CC)Nc1ncccc1C 51040837 343288325 /nfs/dbraw/zinc/28/83/25/343288325.db2.gz UCDXLISYXJHIJC-UHFFFAOYSA-N 0 0 178.279 2.991 10 0 AFAERN CCC(CC)Nc1ccnc(Cl)n1 51849336 343294609 /nfs/dbraw/zinc/29/46/09/343294609.db2.gz HSTRCRSARVLMFU-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN CC(C)[C@H](C)Nc1ccnc(Cl)n1 51849161 343294616 /nfs/dbraw/zinc/29/46/16/343294616.db2.gz DRKKVXZMKIAMFG-ZETCQYMHSA-N 0 0 199.685 2.586 10 0 AFAERN Cc1ccccc1NCc1ccc[nH]1 51788019 343293780 /nfs/dbraw/zinc/29/37/80/343293780.db2.gz WEQCAFOHLQWENY-UHFFFAOYSA-N 0 0 186.258 2.935 10 0 AFAERN CC[C@H](C)N(C)c1cc(F)ccc1N 52120074 343300428 /nfs/dbraw/zinc/30/04/28/343300428.db2.gz RIFJPHWPOFSTGR-QMMMGPOBSA-N 0 0 196.269 2.643 10 0 AFAERN Cc1cccc(CC(=O)C2CCC2)c1 52136298 343301054 /nfs/dbraw/zinc/30/10/54/343301054.db2.gz OZPHJSIHWPOEOK-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN Cc1cccc(CC(=O)[C@@H]2C[C@@H]2C)c1 52136303 343301057 /nfs/dbraw/zinc/30/10/57/343301057.db2.gz AQTQEKXRPOFJGJ-CMPLNLGQSA-N 0 0 188.270 2.763 10 0 AFAERN C[C@H]1C[C@H]1Nc1ccc(Cl)cc1N 52273666 343303283 /nfs/dbraw/zinc/30/32/83/343303283.db2.gz RJMADUBQZVTDHE-QUBYGPBYSA-N 0 0 196.681 2.743 10 0 AFAERN C[C@H]1C[C@@H]1Nc1ccc(Cl)cc1N 52273663 343303292 /nfs/dbraw/zinc/30/32/92/343303292.db2.gz RJMADUBQZVTDHE-WKEGUHRASA-N 0 0 196.681 2.743 10 0 AFAERN C[C@H]1C[C@@H]1Nc1ccc(N)cc1Cl 52273409 343303440 /nfs/dbraw/zinc/30/34/40/343303440.db2.gz HLNFIRSSMXTDIR-WKEGUHRASA-N 0 0 196.681 2.743 10 0 AFAERN Cc1ccc(C)n1[C@@H]1C[C@H]1C 52297847 343305207 /nfs/dbraw/zinc/30/52/07/343305207.db2.gz RFEVZGPZHOUBHS-GMSGAONNSA-N 0 0 149.237 2.686 10 0 AFAERN Cc1ccc(NC#N)cc1Cl 52832023 343307906 /nfs/dbraw/zinc/30/79/06/343307906.db2.gz INGNDFNQEXHKNW-UHFFFAOYSA-N 0 0 166.611 2.541 10 0 AFAERN C[C@@H](NC#N)c1ccc(Cl)s1 52832695 343308550 /nfs/dbraw/zinc/30/85/50/343308550.db2.gz UAJITIKCTCGCAI-RXMQYKEDSA-N 0 0 186.667 2.533 10 0 AFAERN S=C1N=NC(C2CCCCCC2)N1 53715275 343315239 /nfs/dbraw/zinc/31/52/39/343315239.db2.gz LLVFAVHNDWWATI-UHFFFAOYSA-N 0 0 197.307 2.531 10 0 AFAERN Cc1ccc(N)cc1NCC1CCC1 53734888 343315505 /nfs/dbraw/zinc/31/55/05/343315505.db2.gz OJSGIUJGHWSGFO-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN Cc1ccc(CC(=O)C(F)F)cc1C 53139033 343312878 /nfs/dbraw/zinc/31/28/78/343312878.db2.gz QCIFVAZGHJTCEP-UHFFFAOYSA-N 0 0 198.212 2.680 10 0 AFAERN Cc1cnc(-c2ccc(O)cc2)s1 54158990 343318947 /nfs/dbraw/zinc/31/89/47/343318947.db2.gz BFWVXBNECQZVHY-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN O[C@@H](CC1CCCC1)c1ccccn1 53782947 343316413 /nfs/dbraw/zinc/31/64/13/343316413.db2.gz XHORNSFDXPSLIZ-LBPRGKRZSA-N 0 0 191.274 2.695 10 0 AFAERN CC(C)(C)[C@@H](O)CC1CCCC1 53784872 343316600 /nfs/dbraw/zinc/31/66/00/343316600.db2.gz CHMYBVFCTCQASU-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)c1cnc(C2CCCC2)s1 54160680 343318920 /nfs/dbraw/zinc/31/89/20/343318920.db2.gz WQDWZASWDGUUTC-ZETCQYMHSA-N 0 0 197.303 2.854 10 0 AFAERN CC(=O)c1cnc(CC(C)C)s1 54159107 343318928 /nfs/dbraw/zinc/31/89/28/343318928.db2.gz ACGFZDMLUJJWHZ-UHFFFAOYSA-N 0 0 183.276 2.544 10 0 AFAERN Cc1cnc(-c2ccccc2O)s1 54158992 343318930 /nfs/dbraw/zinc/31/89/30/343318930.db2.gz WHLUYKCRNJNZDU-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CC[C@H](C)CNc1ccc(N)cc1F 54466737 343324501 /nfs/dbraw/zinc/32/45/01/343324501.db2.gz LKSWQESLPXKCHM-QMMMGPOBSA-N 0 0 196.269 2.866 10 0 AFAERN CSC[C@@H](O)c1ccc(C)c(C)c1 54494915 343325219 /nfs/dbraw/zinc/32/52/19/343325219.db2.gz ZWSQGVNCDIDQRA-LLVKDONJSA-N 0 0 196.315 2.700 10 0 AFAERN CC[C@H](C)n1nc(C)c([C@H](C)O)c1C 54723239 343328138 /nfs/dbraw/zinc/32/81/38/343328138.db2.gz QPXDMXJMDSPAEN-XVKPBYJWSA-N 0 0 196.294 2.524 10 0 AFAERN O=C1CCCCc2c(F)ccc(F)c21 54741775 343328153 /nfs/dbraw/zinc/32/81/53/343328153.db2.gz PKFMAGGQAPNNGI-UHFFFAOYSA-N 0 0 196.196 2.874 10 0 AFAERN O[C@H]1CCCCc2c(F)cc(F)cc21 54743019 343328154 /nfs/dbraw/zinc/32/81/54/343328154.db2.gz YPLBFIJCHVWCMR-NSHDSACASA-N 0 0 198.212 2.725 10 0 AFAERN O=C1CCC[C@@H]1SC1CCCC1 57406963 343337192 /nfs/dbraw/zinc/33/71/92/343337192.db2.gz NEXUNAADYWJYNH-JTQLQIEISA-N 0 0 184.304 2.784 10 0 AFAERN Cc1nc(NC(C)(C)C)sc1C 57382551 343337193 /nfs/dbraw/zinc/33/71/93/343337193.db2.gz IIBCMJJUQHDZRD-UHFFFAOYSA-N 0 0 184.308 2.970 10 0 AFAERN O=C1CCC[C@H]1SC1CCCC1 57406961 343337228 /nfs/dbraw/zinc/33/72/28/343337228.db2.gz NEXUNAADYWJYNH-SNVBAGLBSA-N 0 0 184.304 2.784 10 0 AFAERN Cc1cc(C2(O)CCCC2)ccc1F 55190195 343334576 /nfs/dbraw/zinc/33/45/76/343334576.db2.gz YKRVRHNHDIYCFV-UHFFFAOYSA-N 0 0 194.249 2.896 10 0 AFAERN CSCC(=O)c1ccc(F)c(C)c1 55200658 343334852 /nfs/dbraw/zinc/33/48/52/343334852.db2.gz HCNWWOIJXTWXDH-UHFFFAOYSA-N 0 0 198.262 2.680 10 0 AFAERN CCC[C@@H](O)c1cc(C)ccc1F 55202173 343334856 /nfs/dbraw/zinc/33/48/56/343334856.db2.gz LQVRNUSEUSETPI-LLVKDONJSA-N 0 0 182.238 2.968 10 0 AFAERN CC[C@@H](O)c1cc(C)ccc1F 55202043 343334858 /nfs/dbraw/zinc/33/48/58/343334858.db2.gz BHKBTHCGINZALZ-SNVBAGLBSA-N 0 0 168.211 2.578 10 0 AFAERN Cc1ccc(F)c([C@H]2CCC[C@@H]2O)c1 55230433 343334860 /nfs/dbraw/zinc/33/48/60/343334860.db2.gz HYYOQTGVIVQANJ-SKDRFNHKSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccc(F)c([C@@H]2CCC[C@@H]2O)c1 55230431 343334864 /nfs/dbraw/zinc/33/48/64/343334864.db2.gz HYYOQTGVIVQANJ-CABZTGNLSA-N 0 0 194.249 2.763 10 0 AFAERN CCC[C@H](O)c1cc(C)ccc1F 55202171 343334872 /nfs/dbraw/zinc/33/48/72/343334872.db2.gz LQVRNUSEUSETPI-NSHDSACASA-N 0 0 182.238 2.968 10 0 AFAERN CSCC(=O)c1cc(C)ccc1F 55200659 343334873 /nfs/dbraw/zinc/33/48/73/343334873.db2.gz WSDZDUAIEWVANQ-UHFFFAOYSA-N 0 0 198.262 2.680 10 0 AFAERN Cc1ccc(F)cc1[C@@H]1CCC[C@@H]1O 55230402 343334882 /nfs/dbraw/zinc/33/48/82/343334882.db2.gz WWVFFCISPSNXAU-JQWIXIFHSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccc(F)cc1[C@@H]1CCC[C@H]1O 55230407 343334885 /nfs/dbraw/zinc/33/48/85/343334885.db2.gz WWVFFCISPSNXAU-CMPLNLGQSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccc(F)cc1[C@H]1CCCC1=O 55230585 343334886 /nfs/dbraw/zinc/33/48/86/343334886.db2.gz FUSMKNXUBFAANK-SNVBAGLBSA-N 0 0 192.233 2.971 10 0 AFAERN Cc1ccc(F)c(C(=O)C(C)C)c1 55199437 343334889 /nfs/dbraw/zinc/33/48/89/343334889.db2.gz QVBGRQVWVODDNW-UHFFFAOYSA-N 0 0 180.222 2.973 10 0 AFAERN Cc1ccc(F)cc1[C@@H]1CCCC1=O 55230583 343334890 /nfs/dbraw/zinc/33/48/90/343334890.db2.gz FUSMKNXUBFAANK-JTQLQIEISA-N 0 0 192.233 2.971 10 0 AFAERN CSCC(=O)c1ccc(F)cc1C 55200654 343334891 /nfs/dbraw/zinc/33/48/91/343334891.db2.gz XFOHJPOZHGLQKM-UHFFFAOYSA-N 0 0 198.262 2.680 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1CCCC1=O 55230591 343334892 /nfs/dbraw/zinc/33/48/92/343334892.db2.gz KZEOLOKPGMPPEG-NSHDSACASA-N 0 0 192.233 2.971 10 0 AFAERN Cc1ccc(F)c([C@H]2CCCC2=O)c1 55230604 343334897 /nfs/dbraw/zinc/33/48/97/343334897.db2.gz ZIEBPVYGJZMTBL-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN Cc1ccc(F)c([C@@H]2CCCC2=O)c1 55230602 343334903 /nfs/dbraw/zinc/33/49/03/343334903.db2.gz ZIEBPVYGJZMTBL-VIFPVBQESA-N 0 0 192.233 2.971 10 0 AFAERN Cc1ccc(F)c([C@H]2CCC[C@H]2O)c1 55230439 343334905 /nfs/dbraw/zinc/33/49/05/343334905.db2.gz HYYOQTGVIVQANJ-BXKDBHETSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1cc(F)ccc1C(=O)C1CC1 55199550 343334906 /nfs/dbraw/zinc/33/49/06/343334906.db2.gz TWRGVTRKIWTKFY-UHFFFAOYSA-N 0 0 178.206 2.727 10 0 AFAERN Cc1ccc(F)c([C@@H]2CCC[C@H]2O)c1 55230437 343334909 /nfs/dbraw/zinc/33/49/09/343334909.db2.gz HYYOQTGVIVQANJ-JOYOIKCWSA-N 0 0 194.249 2.763 10 0 AFAERN CC1=CC(C)=C(C)C1 59054076 343341760 /nfs/dbraw/zinc/34/17/60/343341760.db2.gz VUUBHKAISCUGQO-UHFFFAOYSA-N 0 0 108.184 2.673 10 0 AFAERN Cc1cc(N)ccc1N1CCC[C@H]1C 58006518 343338596 /nfs/dbraw/zinc/33/85/96/343338596.db2.gz RIQIZQDKBSHOIF-SNVBAGLBSA-N 0 0 190.290 2.566 10 0 AFAERN Cc1cc(N)ccc1N1CCC[C@@H]1C 58006516 343338632 /nfs/dbraw/zinc/33/86/32/343338632.db2.gz RIQIZQDKBSHOIF-JTQLQIEISA-N 0 0 190.290 2.566 10 0 AFAERN CC(C)(C)[C@H]1CCCC[C@H]1NO 59322230 343344177 /nfs/dbraw/zinc/34/41/77/343344177.db2.gz IYQMOLNCWHGDRW-DTWKUNHWSA-N 0 0 171.284 2.570 10 0 AFAERN CC1(C)C(=O)C[C@@H]1c1ccc(F)cc1 59322787 343344178 /nfs/dbraw/zinc/34/41/78/343344178.db2.gz XKBMIUKESRBDQK-SNVBAGLBSA-N 0 0 192.233 2.908 10 0 AFAERN CCc1c(C)cc(C)cc1OC 59380994 343344522 /nfs/dbraw/zinc/34/45/22/343344522.db2.gz PWOOJRYURNQLKW-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN c1ccc2[nH]c(CC3CCC3)nc2c1 59378810 343344524 /nfs/dbraw/zinc/34/45/24/343344524.db2.gz MSLVRYQKGGCBJY-UHFFFAOYSA-N 0 0 186.258 2.906 10 0 AFAERN Cc1cc(Cl)ccc1F 59436346 343344825 /nfs/dbraw/zinc/34/48/25/343344825.db2.gz ZFXBMATUCMIPGX-UHFFFAOYSA-N 0 0 143.568 2.661 10 0 AFAERN CSc1ccc(C)cc1 59447908 343345009 /nfs/dbraw/zinc/34/50/09/343345009.db2.gz KUGVRYANZWYEIT-UHFFFAOYSA-N 0 0 137.227 2.591 10 0 AFAERN CC(C)(C)[C@@H]1CCCC[C@@H]1CO 59491103 343345024 /nfs/dbraw/zinc/34/50/24/343345024.db2.gz WFGPPQBQYDPUBM-NXEZZACHSA-N 0 0 170.296 2.831 10 0 AFAERN Cc1cc2c(C)coc2cc1N 59512689 343345472 /nfs/dbraw/zinc/34/54/72/343345472.db2.gz NEXBQJHBYYOROW-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN Fc1ccc(C(F)(F)F)c(Cl)n1 59545113 343345772 /nfs/dbraw/zinc/34/57/72/343345772.db2.gz SZHLWGZPMBCQSN-UHFFFAOYSA-N 0 0 199.534 2.893 10 0 AFAERN COc1cc(Cl)cc(N)c1Cl 59595306 343346166 /nfs/dbraw/zinc/34/61/66/343346166.db2.gz JHZWCHORDSEJQD-UHFFFAOYSA-N 0 0 192.045 2.584 10 0 AFAERN COc1ccc(Cl)c(Cl)c1N 59595321 343346188 /nfs/dbraw/zinc/34/61/88/343346188.db2.gz NGQZFSHSIJZJNX-UHFFFAOYSA-N 0 0 192.045 2.584 10 0 AFAERN CC[C@@H](C)CCCC[C@H](C)O 59625055 343346580 /nfs/dbraw/zinc/34/65/80/343346580.db2.gz GCOBJHFUTQUABB-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN CCc1cccc2ccn(C)c12 59623766 343346601 /nfs/dbraw/zinc/34/66/01/343346601.db2.gz PNBISRBPZVZDNJ-UHFFFAOYSA-N 0 0 159.232 2.741 10 0 AFAERN O=Cc1ccn(CCc2ccccc2)c1 59679279 343346727 /nfs/dbraw/zinc/34/67/27/343346727.db2.gz LYKSUKBIPGQUEA-UHFFFAOYSA-N 0 0 199.253 2.543 10 0 AFAERN Cc1ccc(COc2ccccc2)cn1 59679492 343346856 /nfs/dbraw/zinc/34/68/56/343346856.db2.gz IQSXVDXLJOKRRO-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN C[C@H]1Cc2ccc(Cl)cc2[C@@H]1O 59960726 343349288 /nfs/dbraw/zinc/34/92/88/343349288.db2.gz LJHBBMMDFPVHLF-QUBYGPBYSA-N 0 0 182.650 2.566 10 0 AFAERN CC[C@H](C)Nc1ccc(C)c(N)c1 61700796 343360900 /nfs/dbraw/zinc/36/09/00/343360900.db2.gz AHMHOEPSOWLIFP-VIFPVBQESA-N 0 0 178.279 2.788 10 0 AFAERN Cc1cc(N)c(C)c(Cl)c1 60237649 343352161 /nfs/dbraw/zinc/35/21/61/343352161.db2.gz QYAKLJJTQHCHLJ-UHFFFAOYSA-N 0 0 155.628 2.539 10 0 AFAERN O=Cc1cc2c(s1)CCCCC2 62351351 343373695 /nfs/dbraw/zinc/37/36/95/343373695.db2.gz JTMBMVIPERPPNW-UHFFFAOYSA-N 0 0 180.272 2.830 10 0 AFAERN CCNc1n[nH]c2c1CCCCCC2 62668026 343377440 /nfs/dbraw/zinc/37/74/40/343377440.db2.gz XIGOXRGTNAVDBU-UHFFFAOYSA-N 0 0 193.294 2.501 10 0 AFAERN CCCNc1n[nH]c2c1CCC[C@H]2C 62668324 343377442 /nfs/dbraw/zinc/37/74/42/343377442.db2.gz IUKLAVUWMQYBGV-MRVPVSSYSA-N 0 0 193.294 2.671 10 0 AFAERN CCCNc1n[nH]c2c1CCCCC2 62668341 343377461 /nfs/dbraw/zinc/37/74/61/343377461.db2.gz SRQSLKAOGXCOAS-UHFFFAOYSA-N 0 0 193.294 2.501 10 0 AFAERN CC(C)CNc1cc(C(C)(C)C)[nH]n1 62669364 343377463 /nfs/dbraw/zinc/37/74/63/343377463.db2.gz HYAUOFZFHLNTPO-UHFFFAOYSA-N 0 0 195.310 2.775 10 0 AFAERN CC(=O)c1cnc(-c2ccoc2)s1 63046776 343397690 /nfs/dbraw/zinc/39/76/90/343397690.db2.gz PDAFJUALSMWMJH-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN Cc1ccc(-c2ccccc2N)cn1 62948312 343387173 /nfs/dbraw/zinc/38/71/73/343387173.db2.gz VUKWIUJELJJBNL-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC1(C)CCCN1c1cccc(N)c1 63066329 343399597 /nfs/dbraw/zinc/39/95/97/343399597.db2.gz FHZVZOPVHQMAAV-UHFFFAOYSA-N 0 0 190.290 2.648 10 0 AFAERN Cc1cc2cccc(Cl)c2nc1N 63117236 343403060 /nfs/dbraw/zinc/40/30/60/343403060.db2.gz SRRCMVBHCUCFPA-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN O[C@@H](c1ccoc1)c1ccccc1F 68890742 343412788 /nfs/dbraw/zinc/41/27/88/343412788.db2.gz FHEGYNLZRIRWQH-NSHDSACASA-N 0 0 192.189 2.500 10 0 AFAERN Nc1ccccc1-c1ccoc1 68978186 343418067 /nfs/dbraw/zinc/41/80/67/343418067.db2.gz APJLSXSTHCPILQ-UHFFFAOYSA-N 0 0 159.188 2.529 10 0 AFAERN O=C1CCCCC[C@H]1C1CCOCC1 68958308 343418092 /nfs/dbraw/zinc/41/80/92/343418092.db2.gz RULWBOPSODQGRC-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN O[C@H](c1ccoc1)c1ccccc1F 68890741 343412803 /nfs/dbraw/zinc/41/28/03/343412803.db2.gz FHEGYNLZRIRWQH-LLVKDONJSA-N 0 0 192.189 2.500 10 0 AFAERN Cc1[nH]c(C(=O)C2CCC2)c(C)c1C 68944221 343415740 /nfs/dbraw/zinc/41/57/40/343415740.db2.gz ZWUJOVQWZPOABV-UHFFFAOYSA-N 0 0 191.274 2.923 10 0 AFAERN Cc1[nH]c(C(=O)C2CC2)c(C)c1C 68944275 343415747 /nfs/dbraw/zinc/41/57/47/343415747.db2.gz WVRRAZPUSITNGE-UHFFFAOYSA-N 0 0 177.247 2.533 10 0 AFAERN CCCC(=O)c1[nH]c(C)c(C)c1C 68944198 343415769 /nfs/dbraw/zinc/41/57/69/343415769.db2.gz FAJFKXMUTOVMQO-UHFFFAOYSA-N 0 0 179.263 2.923 10 0 AFAERN Cc1[nH]c(C(=O)[C@@H]2C[C@@H]2C)c(C)c1C 68944247 343415779 /nfs/dbraw/zinc/41/57/79/343415779.db2.gz OKOMKGZCNPYXPX-QUBYGPBYSA-N 0 0 191.274 2.779 10 0 AFAERN O[C@@H]1CCC[C@H]1c1cccc(F)c1F 69640987 343431589 /nfs/dbraw/zinc/43/15/89/343431589.db2.gz ZOICUMJUAORKNY-OIBJUYFYSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1ccoc1C(=O)[C@H]1CCCS1 69984729 343464283 /nfs/dbraw/zinc/46/42/83/343464283.db2.gz KXHKRSIEOMOBEQ-MRVPVSSYSA-N 0 0 196.271 2.666 10 0 AFAERN CSCCC(=O)c1cccc(C)c1 69984397 343464284 /nfs/dbraw/zinc/46/42/84/343464284.db2.gz HMKZPJZZVOILOK-UHFFFAOYSA-N 0 0 194.299 2.931 10 0 AFAERN O=C(c1ccccc1)[C@H]1CCSC1 69983947 343464285 /nfs/dbraw/zinc/46/42/85/343464285.db2.gz JTTMYEMKEPGFKS-JTQLQIEISA-N 0 0 192.283 2.622 10 0 AFAERN O=C(C1CCCC1)[C@H]1CCCS1 69985108 343464286 /nfs/dbraw/zinc/46/42/86/343464286.db2.gz SLBUPGMAOLVTIZ-SECBINFHSA-N 0 0 184.304 2.641 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2CCCS2)o1 69984776 343464288 /nfs/dbraw/zinc/46/42/88/343464288.db2.gz DNIAJVWCBZGDAX-VIFPVBQESA-N 0 0 196.271 2.666 10 0 AFAERN CSCCC(=O)c1ccccc1C 69984203 343464289 /nfs/dbraw/zinc/46/42/89/343464289.db2.gz RMAXKBBAGKGLGD-UHFFFAOYSA-N 0 0 194.299 2.931 10 0 AFAERN Cc1occc1C(=O)[C@@H]1CCCS1 69984814 343464290 /nfs/dbraw/zinc/46/42/90/343464290.db2.gz YNSFZBQLBFHUTA-VIFPVBQESA-N 0 0 196.271 2.666 10 0 AFAERN Cc1cnc(N)c(-c2cccs2)c1 69943262 343458866 /nfs/dbraw/zinc/45/88/66/343458866.db2.gz RRPGSLBIQZJHPP-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCc1ccc2nc(NC)ccc2c1 70055508 343470960 /nfs/dbraw/zinc/47/09/60/343470960.db2.gz KFTFRJHCUILYCU-UHFFFAOYSA-N 0 0 186.258 2.839 10 0 AFAERN Cc1cc(Cl)c2nc(N)ccc2c1 70055469 343471035 /nfs/dbraw/zinc/47/10/35/343471035.db2.gz AYBZXFXRAFHYMG-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCCc1ccc2nc(N)ccc2c1 70055423 343471139 /nfs/dbraw/zinc/47/11/39/343471139.db2.gz IYVAZKLWGRDKAZ-UHFFFAOYSA-N 0 0 186.258 2.770 10 0 AFAERN CNc1ccc2c(C)cc(C)cc2n1 70055163 343471190 /nfs/dbraw/zinc/47/11/90/343471190.db2.gz HJPCHTSTZHNFSM-UHFFFAOYSA-N 0 0 186.258 2.893 10 0 AFAERN CC(=O)N(C)[C@@H](C)c1ccc(C)s1 70227474 343482219 /nfs/dbraw/zinc/48/22/19/343482219.db2.gz BERCHFARTVBSTK-QMMMGPOBSA-N 0 0 197.303 2.596 10 0 AFAERN Cc1ccccc1OCCOC(C)C 70233593 343484858 /nfs/dbraw/zinc/48/48/58/343484858.db2.gz BBMGRRNSEJKNBU-UHFFFAOYSA-N 0 0 194.274 2.799 10 0 AFAERN Fc1cccc(OC/C=C/Cl)c1 70233503 343484860 /nfs/dbraw/zinc/48/48/60/343484860.db2.gz URYMBKCNROOEGI-GORDUTHDSA-N 0 0 186.613 2.957 10 0 AFAERN CCCc1nc2c(F)cccc2[nH]1 70235121 343485498 /nfs/dbraw/zinc/48/54/98/343485498.db2.gz MALBKFQMAMQGGH-UHFFFAOYSA-N 0 0 178.210 2.655 10 0 AFAERN CC[C@@H]1CCC[C@@](N)(C(F)(F)F)C1 70563868 343492398 /nfs/dbraw/zinc/49/23/98/343492398.db2.gz VBQLNRGHXHJTOR-SFYZADRCSA-N 0 0 195.228 2.846 10 0 AFAERN CC[C@H]1CCC[C@](N)(C(F)(F)F)C1 70563867 343492400 /nfs/dbraw/zinc/49/24/00/343492400.db2.gz VBQLNRGHXHJTOR-JGVFFNPUSA-N 0 0 195.228 2.846 10 0 AFAERN CC[C@H]1CCC[C@@](O)(CC)C1 70563589 343492402 /nfs/dbraw/zinc/49/24/02/343492402.db2.gz NFZFRJRGMKKHQL-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@H]1CCC[C@@](O)(CC)C1 70563588 343492404 /nfs/dbraw/zinc/49/24/04/343492404.db2.gz NFZFRJRGMKKHQL-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@H]1CCC[C@](N)(C(F)(F)F)C1 70563866 343492413 /nfs/dbraw/zinc/49/24/13/343492413.db2.gz VBQLNRGHXHJTOR-HTQZYQBOSA-N 0 0 195.228 2.846 10 0 AFAERN CC[C@@H]1CCC[C@](O)(C(F)(F)F)C1 70563758 343492415 /nfs/dbraw/zinc/49/24/15/343492415.db2.gz JWNCJLTXYMBCIN-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@H]1CCC[C@](O)(C(F)(F)F)C1 70563759 343492418 /nfs/dbraw/zinc/49/24/18/343492418.db2.gz JWNCJLTXYMBCIN-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@H]1CCC[C@]2(CC(=O)CCO2)C1 70563889 343492424 /nfs/dbraw/zinc/49/24/24/343492424.db2.gz ITDXONTYMDQVFG-CMPLNLGQSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@H]1CCC[C@](O)(CC)C1 70563587 343492447 /nfs/dbraw/zinc/49/24/47/343492447.db2.gz NFZFRJRGMKKHQL-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@H]1CCC[C@](O)(CC)C1 70563586 343492453 /nfs/dbraw/zinc/49/24/53/343492453.db2.gz NFZFRJRGMKKHQL-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@H](CC1CC1)Nc1ccccc1N 70531640 343488461 /nfs/dbraw/zinc/48/84/61/343488461.db2.gz RHLXXTGJZPMYIY-SECBINFHSA-N 0 0 190.290 2.869 10 0 AFAERN CC[NH2+][C@H](C)c1ccc([S-])cc1 70621093 343504735 /nfs/dbraw/zinc/50/47/35/343504735.db2.gz ZUAHGHZOFYZPGI-MRVPVSSYSA-N 0 0 181.304 2.646 10 0 AFAERN CC[C@@H]1CC[C@@H](n2ncc(C)c2N)C1 70644320 343515596 /nfs/dbraw/zinc/51/55/96/343515596.db2.gz QPNPZIDJXAGMOU-NXEZZACHSA-N 0 0 193.294 2.525 10 0 AFAERN CCC[C@H]1CCCCC(=O)C1 70740229 343528038 /nfs/dbraw/zinc/52/80/38/343528038.db2.gz GYFQVEPWRKPQEC-VIFPVBQESA-N 0 0 154.253 2.936 10 0 AFAERN CCCC(=O)CCC1CC1 70739385 343528061 /nfs/dbraw/zinc/52/80/61/343528061.db2.gz FTGCYZBZSVPACT-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN O=C1CCCC[C@@H](C2CC2)C1 70740382 343528064 /nfs/dbraw/zinc/52/80/64/343528064.db2.gz FYIOOOWISHBKQR-SECBINFHSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@@H]1CC[C@@](O)(C2CCCC2)C1 70764440 343529174 /nfs/dbraw/zinc/52/91/74/343529174.db2.gz BBQCFGZJBAFGLB-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1CC[C@](O)(C2CCCC2)C1 70764438 343529294 /nfs/dbraw/zinc/52/92/94/343529294.db2.gz BBQCFGZJBAFGLB-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN O[C@@H]1CC[C@H](c2ccc(F)cc2F)C1 70771636 343530637 /nfs/dbraw/zinc/53/06/37/343530637.db2.gz XOSQTQSGTMJUTA-IONNQARKSA-N 0 0 198.212 2.593 10 0 AFAERN CC(C)(C)CC[C@@H]1CC[C@H](O)C1 70771844 343530639 /nfs/dbraw/zinc/53/06/39/343530639.db2.gz JZIJGPIWQRNDCY-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc([C@H]2CC[C@@H](O)C2)cc1C 70771351 343530719 /nfs/dbraw/zinc/53/07/19/343530719.db2.gz OASXJAJUDDMATL-QWHCGFSZSA-N 0 0 190.286 2.932 10 0 AFAERN O[C@H]1CC[C@@H](c2cccc(F)c2F)C1 70771401 343530721 /nfs/dbraw/zinc/53/07/21/343530721.db2.gz ZIALWEVFNFDIMJ-SFYZADRCSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CC[C@@H](c2ccc(F)c(F)c2)C1 70772637 343531171 /nfs/dbraw/zinc/53/11/71/343531171.db2.gz IJUMUFZMZMNRFG-APPZFPTMSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@@H]1CCC[C@@H](c2ccccc2F)C1 70773796 343531175 /nfs/dbraw/zinc/53/11/75/343531175.db2.gz BHJNYEBLVKQQRV-NXEZZACHSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@@H]1CCC[C@H](c2ccccc2F)C1 70773798 343531179 /nfs/dbraw/zinc/53/11/79/343531179.db2.gz BHJNYEBLVKQQRV-VHSXEESVSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@H]1CC[C@H](c2c(F)cccc2F)C1 70772677 343531180 /nfs/dbraw/zinc/53/11/80/343531180.db2.gz TTYNNUWRWSUYLC-YUMQZZPRSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1cccc(C[C@@H]2CC[C@H](O)C2)c1 70772478 343531181 /nfs/dbraw/zinc/53/11/81/343531181.db2.gz KNRWETOYZALXGX-STQMWFEESA-N 0 0 190.286 2.699 10 0 AFAERN O[C@@H]1CC[C@H](c2c(F)cccc2F)C1 70772684 343531182 /nfs/dbraw/zinc/53/11/82/343531182.db2.gz TTYNNUWRWSUYLC-JGVFFNPUSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@@H]1CCC[C@@H](c2ccc(F)cc2)C1 70773968 343531208 /nfs/dbraw/zinc/53/12/08/343531208.db2.gz PMNQIPKKMAEXAM-ZYHUDNBSSA-N 0 0 194.249 2.844 10 0 AFAERN Cc1ccccc1C[C@@H]1CC[C@H](O)C1 70772759 343531259 /nfs/dbraw/zinc/53/12/59/343531259.db2.gz DIAQDTROWJHDQC-AAEUAGOBSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1cccc(C[C@H]2CC[C@H](O)C2)c1 70772481 343531308 /nfs/dbraw/zinc/53/13/08/343531308.db2.gz KNRWETOYZALXGX-OLZOCXBDSA-N 0 0 190.286 2.699 10 0 AFAERN O[C@@H]1CCCC[C@@H](c2ccoc2)C1 70776501 343531649 /nfs/dbraw/zinc/53/16/49/343531649.db2.gz YBAKLYJBRJKORB-MWLCHTKSSA-N 0 0 180.247 2.688 10 0 AFAERN O[C@H]1CCC[C@@H](Cc2ccsc2)C1 70774639 343531652 /nfs/dbraw/zinc/53/16/52/343531652.db2.gz XQVBAIHCSZRADH-ONGXEEELSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@H]1CCC[C@H](Cc2ccsc2)C1 70774642 343531656 /nfs/dbraw/zinc/53/16/56/343531656.db2.gz XQVBAIHCSZRADH-KOLCDFICSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@@H]1CCC[C@H](Cc2ccsc2)C1 70774650 343531667 /nfs/dbraw/zinc/53/16/67/343531667.db2.gz XQVBAIHCSZRADH-MWLCHTKSSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@H]1CCCC[C@@H](c2ccoc2)C1 70776495 343531848 /nfs/dbraw/zinc/53/18/48/343531848.db2.gz YBAKLYJBRJKORB-KOLCDFICSA-N 0 0 180.247 2.688 10 0 AFAERN CCC(C)(C)c1nc2cc[nH]cc-2n1 70801651 343532884 /nfs/dbraw/zinc/53/28/84/343532884.db2.gz XUTRCXNCNHMLBX-UHFFFAOYSA-N 0 0 189.262 2.646 10 0 AFAERN c1ccc2c(c1)C[C@H](C1CC1)CN2 70709347 343526439 /nfs/dbraw/zinc/52/64/39/343526439.db2.gz FUJYVRYILFWQMC-NSHDSACASA-N 0 0 173.259 2.681 10 0 AFAERN c1ccc2c(c1)C[C@@H](C1CC1)CN2 70709350 343526634 /nfs/dbraw/zinc/52/66/34/343526634.db2.gz FUJYVRYILFWQMC-LLVKDONJSA-N 0 0 173.259 2.681 10 0 AFAERN C[C@@H]1CCC[C@H]1n1cc[nH]c1=S 70833335 343535350 /nfs/dbraw/zinc/53/53/50/343535350.db2.gz USOOFOBRLIEMGA-HTQZYQBOSA-N 0 0 182.292 2.907 10 0 AFAERN Cc1n[nH]c(=S)n1[C@H]1CCC[C@H]1C 70833397 343535366 /nfs/dbraw/zinc/53/53/66/343535366.db2.gz HOQNNUKEEGDHNS-SVRRBLITSA-N 0 0 197.307 2.610 10 0 AFAERN Cc1n[nH]c(=S)n1[C@@H]1CCC[C@H]1C 70833394 343535377 /nfs/dbraw/zinc/53/53/77/343535377.db2.gz HOQNNUKEEGDHNS-HTRCEHHLSA-N 0 0 197.307 2.610 10 0 AFAERN C[C@H]1CCC[C@H]1n1cc[nH]c1=S 70833337 343535381 /nfs/dbraw/zinc/53/53/81/343535381.db2.gz USOOFOBRLIEMGA-JGVFFNPUSA-N 0 0 182.292 2.907 10 0 AFAERN CC[C@@H](C)c1nc([C@@H](C)O)cs1 70843996 343537794 /nfs/dbraw/zinc/53/77/94/343537794.db2.gz XGTIVOPREVKMIN-RNFRBKRXSA-N 0 0 185.292 2.710 10 0 AFAERN CC[C@@H](C)c1nc([C@H](C)O)cs1 70844011 343537795 /nfs/dbraw/zinc/53/77/95/343537795.db2.gz XGTIVOPREVKMIN-RQJHMYQMSA-N 0 0 185.292 2.710 10 0 AFAERN Cc1n[nH]c(=S)n1[C@@H]1CCC[C@@H]1C 70833387 343535326 /nfs/dbraw/zinc/53/53/26/343535326.db2.gz HOQNNUKEEGDHNS-POYBYMJQSA-N 0 0 197.307 2.610 10 0 AFAERN CC[C@H](C)c1nc2c(N)cccc2o1 71477720 343553046 /nfs/dbraw/zinc/55/30/46/343553046.db2.gz KEJYYXYRBUPRBB-ZETCQYMHSA-N 0 0 190.246 2.924 10 0 AFAERN Cc1ccncc1N[C@@H](C)C1(C)CC1 70958325 343544362 /nfs/dbraw/zinc/54/43/62/343544362.db2.gz NZUSCLQTTKDINF-JTQLQIEISA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccncc1NCc1ccoc1 70958608 343544887 /nfs/dbraw/zinc/54/48/87/343544887.db2.gz YARIZYBDBQDWLD-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1ccncc1NCC1CCCC1 70958496 343544917 /nfs/dbraw/zinc/54/49/17/343544917.db2.gz XXRDHWMNDVJHOB-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN CC(C)(C)OCc1c(N)cccc1F 70962132 343544922 /nfs/dbraw/zinc/54/49/22/343544922.db2.gz RGEBOBRMIHUJKQ-UHFFFAOYSA-N 0 0 197.253 2.723 10 0 AFAERN C[C@@H]1CCC[C@@H](n2cnnc2Cl)C1 71053555 343550120 /nfs/dbraw/zinc/55/01/20/343550120.db2.gz IJHBQMXHXQRFER-HTQZYQBOSA-N 0 0 199.685 2.683 10 0 AFAERN CC(C)c1nnc(Cl)n1[C@@H]1C[C@@H]1C 71055459 343550892 /nfs/dbraw/zinc/55/08/92/343550892.db2.gz TVWNAYYQOOCGPM-NKWVEPMBSA-N 0 0 199.685 2.636 10 0 AFAERN Cc1cccc2c1OC(=O)CC2(C)C 72191334 343559916 /nfs/dbraw/zinc/55/99/16/343559916.db2.gz NVBIWLJQMCJZHL-UHFFFAOYSA-N 0 0 190.242 2.582 10 0 AFAERN CCc1ccc2[nH]c(C(C)=O)cc2c1 75393388 343576561 /nfs/dbraw/zinc/57/65/61/343576561.db2.gz NYXQTUQBMMMHDU-UHFFFAOYSA-N 0 0 187.242 2.933 10 0 AFAERN CO[C@H](C)Cc1cccc(Cl)c1 77905629 343581925 /nfs/dbraw/zinc/58/19/25/343581925.db2.gz CUCQRYQYMJFTJE-MRVPVSSYSA-N 0 0 184.666 2.917 10 0 AFAERN CC(C)c1cnn(-c2ccccc2)c1 75838912 343578313 /nfs/dbraw/zinc/57/83/13/343578313.db2.gz VGMIDGDWMXAJFZ-UHFFFAOYSA-N 0 0 186.258 2.996 10 0 AFAERN Cc1cccc2c1C(=O)CCS2 82397704 343601420 /nfs/dbraw/zinc/60/14/20/343601420.db2.gz UNNHSPSJYVQYMD-UHFFFAOYSA-N 0 0 178.256 2.674 10 0 AFAERN Cc1cc(-c2ccc(N)nc2)cs1 83446722 343619635 /nfs/dbraw/zinc/61/96/35/343619635.db2.gz ODFLSXGZPVKUNA-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN OCc1csc(C2CCCCC2)n1 83942683 343628523 /nfs/dbraw/zinc/62/85/23/343628523.db2.gz JXIPNUGIGXCVDS-UHFFFAOYSA-N 0 0 197.303 2.683 10 0 AFAERN Nc1cc(-c2cccs2)ccc1O 84934929 343638580 /nfs/dbraw/zinc/63/85/80/343638580.db2.gz VZURGIRDABRTGX-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN C[C@H](CO)C12CC3CC(CC(C3)C1)C2 84348492 343634696 /nfs/dbraw/zinc/63/46/96/343634696.db2.gz SHTQGIUWCSSHLR-HIVKSXORSA-N 0 0 194.318 2.831 10 0 AFAERN CCNc1cc(C(F)(F)F)ccn1 85486119 343644157 /nfs/dbraw/zinc/64/41/57/343644157.db2.gz CYNMEOSRAMVTBL-UHFFFAOYSA-N 0 0 190.168 2.532 10 0 AFAERN CN(c1ccc(F)cc1)C(F)(F)F 95074366 343679063 /nfs/dbraw/zinc/67/90/63/343679063.db2.gz YGVFJOJVQAISAU-UHFFFAOYSA-N 0 0 193.143 2.782 10 0 AFAERN C[C@H](O)c1cccc2sccc12 89195316 343672353 /nfs/dbraw/zinc/67/23/53/343672353.db2.gz ABRRCYJJDUJSIN-ZETCQYMHSA-N 0 0 178.256 2.955 10 0 AFAERN CCCC/C=C\C[C@@H](O)CC 90216546 343675127 /nfs/dbraw/zinc/67/51/27/343675127.db2.gz MXQZMRCGLIWKRV-DMEOUFDRSA-N 0 0 156.269 2.894 10 0 AFAERN Cc1ccccc1/C=C/C(C)(C)O 90398670 343675140 /nfs/dbraw/zinc/67/51/40/343675140.db2.gz GMMXUPKBPGLUFT-CMDGGOBGSA-N 0 0 176.259 2.779 10 0 AFAERN CCCOP(C)(=O)OCCC 90449231 343675750 /nfs/dbraw/zinc/67/57/50/343675750.db2.gz NRMHUSQXOMWJGD-UHFFFAOYSA-N 0 0 180.184 2.663 10 0 AFAERN CCC(=C=O)c1ccccc1C 90412220 343675766 /nfs/dbraw/zinc/67/57/66/343675766.db2.gz JEHLIKQKSNHVSL-UHFFFAOYSA-N 0 0 160.216 2.620 10 0 AFAERN Oc1ccc2ccc(F)c(F)c2c1F 90557793 343676498 /nfs/dbraw/zinc/67/64/98/343676498.db2.gz XKDLQKJOTBECCW-UHFFFAOYSA-N 0 0 198.143 2.963 10 0 AFAERN Cc1ccc(S[C@H](C)O)cc1C 91365351 343677435 /nfs/dbraw/zinc/67/74/35/343677435.db2.gz RTUMJXMQAXRDIM-SECBINFHSA-N 0 0 182.288 2.734 10 0 AFAERN CCCC/C=C\[C@@H](O)C(F)(F)F 95611831 343684390 /nfs/dbraw/zinc/68/43/90/343684390.db2.gz NESSQZCQGNUABZ-KXTMECRCSA-N 0 0 182.185 2.656 10 0 AFAERN CCc1c(O)cccc1Cl 95711060 343685987 /nfs/dbraw/zinc/68/59/87/343685987.db2.gz UYGIWNGEPBDGOP-UHFFFAOYSA-N 0 0 156.612 2.608 10 0 AFAERN CCCCCC[C@H]1C[C@H]1C(=O)OC 95931734 343691054 /nfs/dbraw/zinc/69/10/54/343691054.db2.gz XUNYOLFFGUIJSI-VHSXEESVSA-N 0 0 184.279 2.766 10 0 AFAERN CCc1cc2c(Cl)ccnc2[nH]1 95936960 343691757 /nfs/dbraw/zinc/69/17/57/343691757.db2.gz WJFOZMMMGNISOH-UHFFFAOYSA-N 0 0 180.638 2.779 10 0 AFAERN C1=Cc2cccc3c2C1=CC3 96327908 343696854 /nfs/dbraw/zinc/69/68/54/343696854.db2.gz ARJAVXFVSSDOEG-UHFFFAOYSA-N 0 0 140.185 2.653 10 0 AFAERN CCC/C(C)=C(/C)C(=O)OCC 96378918 343696927 /nfs/dbraw/zinc/69/69/27/343696927.db2.gz JMZRJEFOCFGIET-HJWRWDBZSA-N 0 0 170.252 2.686 10 0 AFAERN CC1=CC[C@H](C)CC1 96330997 343696935 /nfs/dbraw/zinc/69/69/35/343696935.db2.gz KMGDYKOGDOVDCW-QMMMGPOBSA-N 0 0 110.200 2.753 10 0 AFAERN Cc1n[nH]cc1-c1ccc(F)cc1 98208065 343707242 /nfs/dbraw/zinc/70/72/42/343707242.db2.gz XUVCYVPANABQRL-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 in-vitro AFAERN C1CCC[C@@H]2C[C@@H]2CC1 96662622 343700232 /nfs/dbraw/zinc/70/02/32/343700232.db2.gz FYECUAIUGWFPJF-DTORHVGOSA-N 0 0 124.227 2.977 10 0 AFAERN CC[C@@H]1SCc2ccccc2[C@@H]1O 97827284 343703471 /nfs/dbraw/zinc/70/34/71/343703471.db2.gz JEYIFWCOGGSPAY-QWRGUYRKSA-N 0 0 194.299 2.745 10 0 AFAERN C[C@H]1C[C@]1(C)C(=O)[C@@]1(C)C[C@H]1C 100333020 343715680 /nfs/dbraw/zinc/71/56/80/343715680.db2.gz YCIGVALQYWWMLE-OEIWMXHLSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccc2cnc(C)cc2c1 104685005 343735355 /nfs/dbraw/zinc/73/53/55/343735355.db2.gz OUSUBDOSELFGLT-UHFFFAOYSA-N 0 0 157.216 2.852 10 0 AFAERN CCCCN1C[C@@H]1c1ccccc1 104839624 343735774 /nfs/dbraw/zinc/73/57/74/343735774.db2.gz WDZMBYZWOSXOIZ-PZORYLMUSA-N 0 0 175.275 2.843 10 0 AFAERN CC(=O)Cc1cc(C(C)C)ccc1O 107355090 343749783 /nfs/dbraw/zinc/74/97/83/343749783.db2.gz QALPWSDWVWEUAR-UHFFFAOYSA-N 0 0 192.258 2.647 10 0 AFAERN CC(C)n1ccc2cc(N)ccc21 108253478 343750823 /nfs/dbraw/zinc/75/08/23/343750823.db2.gz KOTSNSOZDLEYLF-UHFFFAOYSA-N 0 0 174.247 2.804 10 0 AFAERN Cc1ccc(Oc2cnccn2)cc1 113248407 343757809 /nfs/dbraw/zinc/75/78/09/343757809.db2.gz CUNRSPKUXZXFOM-UHFFFAOYSA-N 0 0 186.214 2.577 10 0 AFAERN COc1cc2cc(C(C)C)[nH]c2cn1 115937612 343767797 /nfs/dbraw/zinc/76/77/97/343767797.db2.gz XXPBEIDUDFPWCQ-UHFFFAOYSA-N 0 0 190.246 2.695 10 0 AFAERN C[C@@H]1CC[C@H]2CCC[C@H]12 111359624 343754185 /nfs/dbraw/zinc/75/41/85/343754185.db2.gz XWDLMQDCTIPQFS-IWSPIJDZSA-N 0 0 124.227 2.833 10 0 AFAERN C[C@@H]1CC[C@@H]2CCC[C@@H]21 111359628 343754192 /nfs/dbraw/zinc/75/41/92/343754192.db2.gz XWDLMQDCTIPQFS-HRDYMLBCSA-N 0 0 124.227 2.833 10 0 AFAERN C1=CC2(C=C1)CCCC2 111349863 343754208 /nfs/dbraw/zinc/75/42/08/343754208.db2.gz FHTXZDURQDIVCD-UHFFFAOYSA-N 0 0 120.195 2.673 10 0 AFAERN C/C=C/c1cc(C)ccc1O 111343750 343754227 /nfs/dbraw/zinc/75/42/27/343754227.db2.gz WPHPAOKIUGOXMM-ONEGZZNKSA-N 0 0 148.205 2.734 10 0 AFAERN COC(=O)c1ccccc1C(C)(C)C 117116636 343772467 /nfs/dbraw/zinc/77/24/67/343772467.db2.gz FYUGIEMMGZXLBS-UHFFFAOYSA-N 0 0 192.258 2.771 10 0 AFAERN Cc1ccccc1-c1cnccc1CO 117053402 343772468 /nfs/dbraw/zinc/77/24/68/343772468.db2.gz CUKYLMLRGMLUTB-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN CC(C)C[C@@]1(O)CCCc2occc21 126832346 343798033 /nfs/dbraw/zinc/79/80/33/343798033.db2.gz WWRATFOPSBSODD-LBPRGKRZSA-N 0 0 194.274 2.850 10 0 AFAERN COc1cccc(SC)c1C(C)=O 126887207 343799038 /nfs/dbraw/zinc/79/90/38/343799038.db2.gz MOWVNRVLPNSBTK-UHFFFAOYSA-N 0 0 196.271 2.620 10 0 AFAERN CC(C)OC(=O)N1[C@@H](C)CCC[C@@H]1C 126901815 343799509 /nfs/dbraw/zinc/79/95/09/343799509.db2.gz ZVHCAYYVMFILKM-UWVGGRQHSA-N 0 0 199.294 2.794 10 0 AFAERN Cc1ccc(-c2ccc(N)c(F)c2)o1 127089131 343804150 /nfs/dbraw/zinc/80/41/50/343804150.db2.gz SMILJVNZTAMHTE-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN CC(C)OC(=O)N1CC[C@H](C)C[C@@H]1C 127270652 343808346 /nfs/dbraw/zinc/80/83/46/343808346.db2.gz CAGVRJAXYMXJQD-UWVGGRQHSA-N 0 0 199.294 2.652 10 0 AFAERN CC(C)OC(=O)N1CC[C@@H](C)C[C@H]1C 127269952 343808350 /nfs/dbraw/zinc/80/83/50/343808350.db2.gz CAGVRJAXYMXJQD-NXEZZACHSA-N 0 0 199.294 2.652 10 0 AFAERN CCCCCCNC(=O)OC(C)C 127442046 343811964 /nfs/dbraw/zinc/81/19/64/343811964.db2.gz RRMXHSJZXYBKQI-UHFFFAOYSA-N 0 0 187.283 2.701 10 0 AFAERN C[C@@H]1CCc2[nH]c(C(C)(C)C)nc2C1 127527173 343813325 /nfs/dbraw/zinc/81/33/25/343813325.db2.gz LLKHSOYGTDQHGU-MRVPVSSYSA-N 0 0 192.306 2.832 10 0 AFAERN CC(C)OC(=O)N[C@@H]1CCCC1(C)C 127566290 343814064 /nfs/dbraw/zinc/81/40/64/343814064.db2.gz FJDDPPFJYQWLNK-SECBINFHSA-N 0 0 199.294 2.700 10 0 AFAERN CC(C)(C)C(=O)C[C@@H]1CCCCO1 128024518 343823793 /nfs/dbraw/zinc/82/37/93/343823793.db2.gz CMYLISOFKCQHTN-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H]1CCNc2c(F)cccc2N1 128081164 343824302 /nfs/dbraw/zinc/82/43/02/343824302.db2.gz MSCWZKZWMDKJCE-QMMMGPOBSA-N 0 0 194.253 2.832 10 0 AFAERN CCCC(=O)[C@@H]1COc2ccccc21 128803672 343837918 /nfs/dbraw/zinc/83/79/18/343837918.db2.gz XWXXGNDNYZDNPN-SNVBAGLBSA-N 0 0 190.242 2.532 10 0 AFAERN CC(C)[C@H](O)CC1=CCCCC1 128331203 343828897 /nfs/dbraw/zinc/82/88/97/343828897.db2.gz ZSWRIOVNBJGVEU-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)[C@@H](O)CC1=CCCCC1 128331421 343828903 /nfs/dbraw/zinc/82/89/03/343828903.db2.gz ZSWRIOVNBJGVEU-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN CCC1(NC(=O)OC(C)(C)C)CCC1 129046198 343843141 /nfs/dbraw/zinc/84/31/41/343843141.db2.gz QSFDBQWZTSKETO-UHFFFAOYSA-N 0 0 199.294 2.844 10 0 AFAERN Cc1ccc2c(c1)[C@@](O)(C1CC1)CC2 129396796 343849517 /nfs/dbraw/zinc/84/95/17/343849517.db2.gz AYLITPMLTNSHEC-ZDUSSCGKSA-N 0 0 188.270 2.539 10 0 AFAERN CC1(C)CC[C@@H](n2cc[nH]c2=S)C1 129712908 343855251 /nfs/dbraw/zinc/85/52/51/343855251.db2.gz PPDDGRWUDXNNRS-MRVPVSSYSA-N 0 0 196.319 2.923 10 0 AFAERN Nc1ccc(F)c(NC2CCCC2)c1 129727399 343855252 /nfs/dbraw/zinc/85/52/52/343855252.db2.gz IOUNHFJQIZMCLX-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN C[C@@H]1CC[C@@H](n2cc[nH]c2=S)C1 129712292 343855273 /nfs/dbraw/zinc/85/52/73/343855273.db2.gz FFXDRBOMWZDXTL-HTQZYQBOSA-N 0 0 182.292 2.533 10 0 AFAERN Cc1ccc(C=O)c(-c2cccnc2)c1 129705192 343855278 /nfs/dbraw/zinc/85/52/78/343855278.db2.gz SAQKNOHCCIOBHL-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CC1(C)CC[C@H](n2cc[nH]c2=S)C1 129712680 343855467 /nfs/dbraw/zinc/85/54/67/343855467.db2.gz PPDDGRWUDXNNRS-QMMMGPOBSA-N 0 0 196.319 2.923 10 0 AFAERN CC1(C)CC[C@@H](n2cnnc2Cl)C1 129932398 343859490 /nfs/dbraw/zinc/85/94/90/343859490.db2.gz UUPGCYWDMQWRMA-SSDOTTSWSA-N 0 0 199.685 2.683 10 0 AFAERN CSCC[C@@H]1CCCCCC1=O 129598388 343853740 /nfs/dbraw/zinc/85/37/40/343853740.db2.gz JUCAOHCBVVPGLI-VIFPVBQESA-N 0 0 186.320 2.889 10 0 AFAERN O[C@@H](C1=CCCCCC1)C(F)F 129619814 343854274 /nfs/dbraw/zinc/85/42/74/343854274.db2.gz RUAHVCDZOVRPLD-QMMMGPOBSA-N 0 0 176.206 2.503 10 0 AFAERN O[C@H](C1=CCCCCC1)C(F)F 129620009 343854285 /nfs/dbraw/zinc/85/42/85/343854285.db2.gz RUAHVCDZOVRPLD-MRVPVSSYSA-N 0 0 176.206 2.503 10 0 AFAERN CC1(C)CC[C@H](Nc2nncs2)C1 129694762 343854733 /nfs/dbraw/zinc/85/47/33/343854733.db2.gz GVZHBNLUPUCQBA-ZETCQYMHSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1cccc2cc(N)c(Cl)nc12 130154882 343863455 /nfs/dbraw/zinc/86/34/55/343863455.db2.gz DJWAUEAZGOKSQN-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN O[C@@H](Cc1ccoc1)c1ccsc1 130305089 343866320 /nfs/dbraw/zinc/86/63/20/343866320.db2.gz LDMSBFMCRZGRDM-JTQLQIEISA-N 0 0 194.255 2.617 10 0 AFAERN O[C@@H](Cc1ccoc1)c1cccs1 130313070 343866335 /nfs/dbraw/zinc/86/63/35/343866335.db2.gz TXGIMEUAHPTKHP-VIFPVBQESA-N 0 0 194.255 2.617 10 0 AFAERN CCCCc1ccc2c(c1)C(=O)CO2 130287546 343866345 /nfs/dbraw/zinc/86/63/45/343866345.db2.gz RMRNCKMNJNRCCS-UHFFFAOYSA-N 0 0 190.242 2.604 10 0 AFAERN O[C@H](Cc1ccco1)c1ccsc1 130305771 343866347 /nfs/dbraw/zinc/86/63/47/343866347.db2.gz TYNGOFKNDDVUAF-SNVBAGLBSA-N 0 0 194.255 2.617 10 0 AFAERN O[C@H](Cc1ccoc1)c1ccsc1 130305309 343866361 /nfs/dbraw/zinc/86/63/61/343866361.db2.gz LDMSBFMCRZGRDM-SNVBAGLBSA-N 0 0 194.255 2.617 10 0 AFAERN O[C@@H](Cc1ccco1)c1cccs1 130313269 343866368 /nfs/dbraw/zinc/86/63/68/343866368.db2.gz OECDBWADMGEBLX-VIFPVBQESA-N 0 0 194.255 2.617 10 0 AFAERN O[C@H](Cc1ccoc1)c1cccs1 130312859 343866386 /nfs/dbraw/zinc/86/63/86/343866386.db2.gz TXGIMEUAHPTKHP-SECBINFHSA-N 0 0 194.255 2.617 10 0 AFAERN O[C@@H](Cc1ccco1)[C@@H]1CC=CCC1 130389655 343868281 /nfs/dbraw/zinc/86/82/81/343868281.db2.gz VEPOPZDMCFEULX-PWSUYJOCSA-N 0 0 192.258 2.539 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)Cc2ccoc2)C1 130639297 343871696 /nfs/dbraw/zinc/87/16/96/343871696.db2.gz OSZWKENXUVBUON-MWLCHTKSSA-N 0 0 192.258 2.827 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)Cc2ccoc2)C1 130639501 343871697 /nfs/dbraw/zinc/87/16/97/343871697.db2.gz OSZWKENXUVBUON-GXSJLCMTSA-N 0 0 192.258 2.827 10 0 AFAERN c1coc(-c2cccc3c2CCN3)c1 130902518 343877154 /nfs/dbraw/zinc/87/71/54/343877154.db2.gz DCSYDYWWNGFYPT-UHFFFAOYSA-N 0 0 185.226 2.915 10 0 AFAERN c1cc2c(cc1C1CC1)NCC2 130911073 343877829 /nfs/dbraw/zinc/87/78/29/343877829.db2.gz GTLFWXPQIIZCDL-UHFFFAOYSA-N 0 0 159.232 2.532 10 0 AFAERN c1cc(-c2ccc3c(c2)NCC3)co1 130912421 343877839 /nfs/dbraw/zinc/87/78/39/343877839.db2.gz QEOZDJHEAGFATO-UHFFFAOYSA-N 0 0 185.226 2.915 10 0 AFAERN Cc1ccc2c(c1)[C@@H](O)CC[C@@H]2C 130994955 343878875 /nfs/dbraw/zinc/87/88/75/343878875.db2.gz JZFULYCSKNGSPI-CABZTGNLSA-N 0 0 176.259 2.926 10 0 AFAERN C[C@H]1CC[C@H](O)c2cc(F)cc(F)c21 131011530 343878877 /nfs/dbraw/zinc/87/88/77/343878877.db2.gz PMVJMYCMIIFHBL-WKEGUHRASA-N 0 0 198.212 2.896 10 0 AFAERN C[C@@H]1CC[C@@H](O)c2cc(F)cc(F)c21 131011701 343878881 /nfs/dbraw/zinc/87/88/81/343878881.db2.gz PMVJMYCMIIFHBL-LHLIQPBNSA-N 0 0 198.212 2.896 10 0 AFAERN C[C@H]1CC[C@@H](O)c2cc(F)ccc21 131009396 343878886 /nfs/dbraw/zinc/87/88/86/343878886.db2.gz TYKTYYKMYAYLAZ-WRWORJQWSA-N 0 0 180.222 2.756 10 0 AFAERN C[C@@H]1CC[C@H](O)c2cc(F)cc(F)c21 131011333 343878887 /nfs/dbraw/zinc/87/88/87/343878887.db2.gz PMVJMYCMIIFHBL-LDWIPMOCSA-N 0 0 198.212 2.896 10 0 AFAERN Cc1sc(CCC(C)C)nc1N 131880491 343890436 /nfs/dbraw/zinc/89/04/36/343890436.db2.gz VTZKENQCRCTRFO-UHFFFAOYSA-N 0 0 184.308 2.622 10 0 AFAERN Cc1sc(C2CCCC2)nc1N 131874158 343890437 /nfs/dbraw/zinc/89/04/37/343890437.db2.gz BLHFFVLADIUMEA-UHFFFAOYSA-N 0 0 182.292 2.691 10 0 AFAERN c1ccc(CCc2nccs2)cc1 131881156 343890439 /nfs/dbraw/zinc/89/04/39/343890439.db2.gz KEWBUOMVBFMGNS-UHFFFAOYSA-N 0 0 189.283 2.928 10 0 AFAERN c1csc([C@H]2CCCS2)n1 131872783 343890447 /nfs/dbraw/zinc/89/04/47/343890447.db2.gz MCUBDWRFNACVCO-ZCFIWIBFSA-N 0 0 171.290 2.711 10 0 AFAERN Cc1ccnc(-c2nccs2)c1 131875196 343890469 /nfs/dbraw/zinc/89/04/69/343890469.db2.gz OYCAMLRLAYZLAB-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN c1csc([C@@H]2CCCS2)n1 131872587 343890473 /nfs/dbraw/zinc/89/04/73/343890473.db2.gz MCUBDWRFNACVCO-LURJTMIESA-N 0 0 171.290 2.711 10 0 AFAERN Cc1sc([C@H]2CC[C@@H](C)C2)nc1N 131899000 343890842 /nfs/dbraw/zinc/89/08/42/343890842.db2.gz UKGMPPSGBRWIFV-SVRRBLITSA-N 0 0 196.319 2.937 10 0 AFAERN CC[C@@H](NO)c1ccc(Cl)cc1 132084117 343893951 /nfs/dbraw/zinc/89/39/51/343893951.db2.gz ZEAOJEDBSBUEDV-SECBINFHSA-N 0 0 185.654 2.770 10 0 AFAERN C[C@@H]1CC[C@H](NO)c2ccccc21 132195341 343895581 /nfs/dbraw/zinc/89/55/81/343895581.db2.gz QTSITMSYTWXHBN-KCJUWKMLSA-N 0 0 177.247 2.604 10 0 AFAERN Cc1cc([C@@]2(O)C[C@H]2C)ccc1Cl 132199121 343895618 /nfs/dbraw/zinc/89/56/18/343895618.db2.gz DVOKTPYPNBMGBS-LDYMZIIASA-N 0 0 196.677 2.876 10 0 AFAERN CCSc1ccc(C(C)=O)o1 131583767 343886526 /nfs/dbraw/zinc/88/65/26/343886526.db2.gz JCEKWLIUPTXOGT-UHFFFAOYSA-N 0 0 170.233 2.594 10 0 AFAERN Brc1nccc2ccoc12 203156831 166008942 /nfs/dbraw/zinc/00/89/42/166008942.db2.gz NDWOLHJLWDHUQL-UHFFFAOYSA-N 0 0 198.019 2.590 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)[C@@H](C)CN2 132539440 343900173 /nfs/dbraw/zinc/90/01/73/343900173.db2.gz LQBNFBOMCMZIQT-UWVGGRQHSA-N 0 0 190.290 2.857 10 0 AFAERN Brc1cnccc1C1CC1 96135142 166009761 /nfs/dbraw/zinc/00/97/61/166009761.db2.gz NFGZNLNEMJTRSD-UHFFFAOYSA-N 0 0 198.063 2.722 10 0 AFAERN Brc1ccc2ccccn12 71477134 166009851 /nfs/dbraw/zinc/00/98/51/166009851.db2.gz WGQGGEAQSAQDAR-UHFFFAOYSA-N 0 0 196.047 2.702 10 0 AFAERN Brc1cccc2conc12 82384705 166009853 /nfs/dbraw/zinc/00/98/53/166009853.db2.gz HYKDTRJGVLLISH-UHFFFAOYSA-N 0 0 198.019 2.590 10 0 AFAERN C1=Cn2c(nc3ccccc32)C=COC1 45238595 166081971 /nfs/dbraw/zinc/08/19/71/166081971.db2.gz RJOTUXGUVOYSCN-UHFFFAOYSA-N 0 0 198.225 2.508 10 0 AFAERN CC(C)N(C)c1cccc(Cl)c1N 132663714 343902418 /nfs/dbraw/zinc/90/24/18/343902418.db2.gz QOEWUPDHUMCECH-UHFFFAOYSA-N 0 0 198.697 2.767 10 0 AFAERN C(=C1CCc2ccccc21)c1c[nH]cn1 100377600 166044090 /nfs/dbraw/zinc/04/40/90/166044090.db2.gz FXLOWXDBTSZJFZ-XFFZJAGNSA-N 0 0 196.253 2.897 10 0 in-vivo AFAERN C(=C\C1CC1)\c1ccncc1 39050885 166044113 /nfs/dbraw/zinc/04/41/13/166044113.db2.gz NWRFDKWRINYLSO-ARJAWSKDSA-N 0 0 145.205 2.505 10 0 AFAERN C(=C/c1ccccc1)\C1=NCCS1 6568086 166044594 /nfs/dbraw/zinc/04/45/94/166044594.db2.gz BHXRULBFMDQOMX-VOTSOKGWSA-N 0 0 189.283 2.845 10 0 AFAERN C(=C1CCc2ccccc21)c1c[nH]cn1 13535873 166045076 /nfs/dbraw/zinc/04/50/76/166045076.db2.gz FXLOWXDBTSZJFZ-YRNVUSSQSA-N 0 0 196.253 2.897 10 0 in-vivo AFAERN C(=C/c1cnccn1)\c1ccccc1 34574061 166045118 /nfs/dbraw/zinc/04/51/18/166045118.db2.gz UCDVGYTWCYDSRU-VOTSOKGWSA-N 0 0 182.226 2.647 10 0 AFAERN C(=Cc1cc[nH]n1)c1ccccc1 34549881 166045155 /nfs/dbraw/zinc/04/51/55/166045155.db2.gz NFLQSIIRRGMWIY-VOTSOKGWSA-N 0 0 170.215 2.580 10 0 AFAERN C(=C1CC1)c1ccc2c(c1)OCCO2 39135177 166045266 /nfs/dbraw/zinc/04/52/66/166045266.db2.gz YKSNAGBZHHYNJJ-UHFFFAOYSA-N 0 0 188.226 2.635 10 0 AFAERN C(=C1CC1)c1ccccc1 68575717 166045318 /nfs/dbraw/zinc/04/53/18/166045318.db2.gz VXAOEHNEGSMNAU-UHFFFAOYSA-N 0 0 130.190 2.864 10 0 AFAERN C(=C\c1cccnn1)\c1ccccc1 4759408 166046685 /nfs/dbraw/zinc/04/66/85/166046685.db2.gz CNYDPKJPMBRDPE-HJWRWDBZSA-N 0 0 182.226 2.647 10 0 AFAERN C(=C\c1ncccn1)\c1ccccc1 108139058 166046821 /nfs/dbraw/zinc/04/68/21/166046821.db2.gz JVOZXKIBCDWEKA-FPLPWBNLSA-N 0 0 182.226 2.647 10 0 AFAERN C(=C\c1csnn1)\c1ccccc1 33371991 166046905 /nfs/dbraw/zinc/04/69/05/166046905.db2.gz LLWUWMROYZSXNO-SREVYHEPSA-N 0 0 188.255 2.709 10 0 AFAERN C(=C\c1ccco1)\c1ccccn1 4821934 166047130 /nfs/dbraw/zinc/04/71/30/166047130.db2.gz UQKAWCFMOSMMKN-SREVYHEPSA-N 0 0 171.199 2.845 10 0 AFAERN C(=Cc1cccs1)c1cc[nH]n1 12340075 166047175 /nfs/dbraw/zinc/04/71/75/166047175.db2.gz FOHWAQGURRYJFK-ARJAWSKDSA-N 0 0 176.244 2.642 10 0 AFAERN C(=C\[C@@H]1CCCO1)\c1ccccc1 83253024 166047516 /nfs/dbraw/zinc/04/75/16/166047516.db2.gz MZGMTIBYFDHKAS-LAUAKBEESA-N 0 0 174.243 2.879 10 0 AFAERN C/C(=C(\C)[N+](=O)[O-])c1ccccc1 13546058 166047625 /nfs/dbraw/zinc/04/76/25/166047625.db2.gz SMLHUHINFZJSHO-HJWRWDBZSA-N 0 0 177.203 2.714 10 0 AFAERN C(=C\[C@H]1CCCO1)\c1ccccc1 83253026 166047873 /nfs/dbraw/zinc/04/78/73/166047873.db2.gz MZGMTIBYFDHKAS-JLVNDZCYSA-N 0 0 174.243 2.879 10 0 AFAERN C/C(=C/c1cc(C)ccc1C)[N+](=O)[O-] 83253438 166048616 /nfs/dbraw/zinc/04/86/16/166048616.db2.gz CQEQATGRIJNIQI-YFHOEESVSA-N 0 0 191.230 2.941 10 0 AFAERN C/C(=C\C1CCCCC1)[N+](=O)[O-] 36458844 166048823 /nfs/dbraw/zinc/04/88/23/166048823.db2.gz FGOQMEFBZWBDIX-BQYQJAHWSA-N 0 0 169.224 2.747 10 0 AFAERN C/C(=C/c1ccc(C)cc1C)[N+](=O)[O-] 83253436 166048920 /nfs/dbraw/zinc/04/89/20/166048920.db2.gz QPSQQDLITMILFU-YFHOEESVSA-N 0 0 191.230 2.941 10 0 AFAERN C/C(=C/c1cccc(Cl)c1)[N+](=O)[O-] 83253508 166049383 /nfs/dbraw/zinc/04/93/83/166049383.db2.gz PSURUZUUDGZDKD-ALCCZGGFSA-N 0 0 197.621 2.978 10 0 AFAERN C/C(=C\C(C)(C)C)[C@@H]1CCC(=O)O1 104845806 166049389 /nfs/dbraw/zinc/04/93/89/166049389.db2.gz KGAAZLIAEYZWQV-FLOXNTQESA-N 0 0 182.263 2.684 10 0 AFAERN C/C(=C/c1cc(F)ccc1F)[N+](=O)[O-] 83253462 166049832 /nfs/dbraw/zinc/04/98/32/166049832.db2.gz IEJLYPNEPQXFCV-XQRVVYSFSA-N 0 0 199.156 2.602 10 0 AFAERN C/C(=C/c1ccc(F)c(F)c1)[N+](=O)[O-] 83253510 166049855 /nfs/dbraw/zinc/04/98/55/166049855.db2.gz FCUKZKHRCMMVHW-XQRVVYSFSA-N 0 0 199.156 2.602 10 0 AFAERN C/C(=C\C(C)(C)C)[C@H]1CCC(=O)O1 104845808 166049902 /nfs/dbraw/zinc/04/99/02/166049902.db2.gz KGAAZLIAEYZWQV-FCZSHJHJSA-N 0 0 182.263 2.684 10 0 AFAERN C/C(=C\c1sccc1C)[N+](=O)[O-] 33369176 166050829 /nfs/dbraw/zinc/05/08/29/166050829.db2.gz XAIOJTJIVZHGIA-FNORWQNLSA-N 0 0 183.232 2.694 10 0 AFAERN C/C(=C\c1ccc(Cl)cc1)CO 39341078 166052165 /nfs/dbraw/zinc/05/21/65/166052165.db2.gz MGRIOFUMFJJBRY-SOFGYWHQSA-N 0 0 182.650 2.736 10 0 AFAERN Nc1c(Cl)cccc1N1CCCC1 132661121 343902480 /nfs/dbraw/zinc/90/24/80/343902480.db2.gz QVWWLXQXPKQOQG-UHFFFAOYSA-N 0 0 196.681 2.522 10 0 AFAERN CC(=O)CC(=S)Nc1ccccc1 256090986 166057889 /nfs/dbraw/zinc/05/78/89/166057889.db2.gz CNQHMZRCUWDALI-FPLPWBNLSA-N 0 0 193.271 2.888 10 0 AFAERN CCC(=O)c1ccc(F)cc1 100239583 166058652 /nfs/dbraw/zinc/05/86/52/166058652.db2.gz GDGVMGGZOJTNRI-MBXJOHMKSA-N 0 0 152.168 2.745 10 0 AFAERN C/C=C(\C)c1ccccc1O 38864599 166058714 /nfs/dbraw/zinc/05/87/14/166058714.db2.gz AQHANRVDTSURKY-FPYGCLRLSA-N 0 0 148.205 2.815 10 0 AFAERN C/C=C(\C)c1cccnc1 39050627 166058811 /nfs/dbraw/zinc/05/88/11/166058811.db2.gz SFBZRYNUSRYNQU-FPYGCLRLSA-N 0 0 133.194 2.505 10 0 AFAERN C/C=C(\CC)CCC(C)=O 39069041 166058812 /nfs/dbraw/zinc/05/88/12/166058812.db2.gz YCXZIPISEIJTLL-RUDMXATFSA-N 0 0 140.226 2.712 10 0 AFAERN C/C=C(\C)c1ccccn1 38612069 166059043 /nfs/dbraw/zinc/05/90/43/166059043.db2.gz DZSTWBUQYOAZRZ-FPYGCLRLSA-N 0 0 133.194 2.505 10 0 AFAERN C/C=C(\CC)c1cnc(N)c(C)c1 5302131 166059081 /nfs/dbraw/zinc/05/90/81/166059081.db2.gz AXGLKLAPXZPDOZ-RUDMXATFSA-N 0 0 176.263 2.786 10 0 AFAERN C/C=C(/CC)N(C)c1ccccn1 15782533 166059140 /nfs/dbraw/zinc/05/91/40/166059140.db2.gz QTAOALJOWKWGPS-WMZJFQQLSA-N 0 0 176.263 2.832 10 0 AFAERN CCC(=O)N(C(C)C)C(C)C 100231824 166059233 /nfs/dbraw/zinc/05/92/33/166059233.db2.gz RXLSEDPUPVKRLL-RMKNXTFCSA-N 0 0 157.257 2.525 10 0 AFAERN C/C=C(\C)c1ccc2c(c1)OCO2 70632471 166059362 /nfs/dbraw/zinc/05/93/62/166059362.db2.gz NYYWZLDGBLUOCH-FPYGCLRLSA-N 0 0 176.215 2.839 10 0 AFAERN C/C=C(\C)c1ccccc1CO 39120338 166059459 /nfs/dbraw/zinc/05/94/59/166059459.db2.gz LWPJGCPYLIAPGS-YCRREMRBSA-N 0 0 162.232 2.602 10 0 AFAERN C/C=C(\CC)c1ccccn1 39051241 166059475 /nfs/dbraw/zinc/05/94/75/166059475.db2.gz XMKMOTKAUSZHEU-YCRREMRBSA-N 0 0 147.221 2.895 10 0 AFAERN C/C=C(\CC)n1cccc1 39078155 166059600 /nfs/dbraw/zinc/05/96/00/166059600.db2.gz WOUNSETZKRZRGY-YCRREMRBSA-N 0 0 135.210 2.759 10 0 AFAERN C/C=C(\C)c1ccncc1 39051388 166059990 /nfs/dbraw/zinc/05/99/90/166059990.db2.gz IZPRGUKGMVPTEH-FPYGCLRLSA-N 0 0 133.194 2.505 10 0 AFAERN C/C=C(\C)c1cccc(C)n1 39050910 166060072 /nfs/dbraw/zinc/06/00/72/166060072.db2.gz FOPMNBQFTDAQJB-XBXARRHUSA-N 0 0 147.221 2.813 10 0 AFAERN C/C=C(\CCCCC)[N+](=O)[O-] 34098142 166060137 /nfs/dbraw/zinc/06/01/37/166060137.db2.gz QMUNAGXCFPYYRM-XBXARRHUSA-N 0 0 157.213 2.747 10 0 AFAERN C/C=C(\C)c1ncccc1C 39052073 166060142 /nfs/dbraw/zinc/06/01/42/166060142.db2.gz NVIBCEQWJLPKAB-XBXARRHUSA-N 0 0 147.221 2.813 10 0 AFAERN C/C=C/C=C/c1ccccn1 39050881 166060652 /nfs/dbraw/zinc/06/06/52/166060652.db2.gz KCWKODUGOSBCLW-AOGGBPEJSA-N 0 0 145.205 2.671 10 0 AFAERN C/C=C/C=C/C(OCC)OCC 2510128 166060746 /nfs/dbraw/zinc/06/07/46/166060746.db2.gz PDAPABBBKRHCMD-NUXDXBQRSA-N 0 0 170.252 2.518 10 0 AFAERN C/C=C/C=C/NC(=O)OC(C)(C)C 100098232 166060772 /nfs/dbraw/zinc/06/07/72/166060772.db2.gz XUKALTRSOXMVKA-BSWSSELBSA-N 0 0 183.251 2.601 10 0 AFAERN C/C=C/C=C/c1nc(C2(C)CC2)no1 335459977 166060875 /nfs/dbraw/zinc/06/08/75/166060875.db2.gz XCBAKRYWAQJNJF-VNKDHWASSA-N 0 0 190.246 2.710 10 0 AFAERN C/C=C/C=C/C=C/C=C/C(=O)OCC 44200755 166060901 /nfs/dbraw/zinc/06/09/01/166060901.db2.gz HKORLWQCJABOCZ-BAHSQIKPSA-N 0 0 192.258 2.794 10 0 AFAERN C/C=C/C1CCC(C(C)=O)CC1 39071918 166060966 /nfs/dbraw/zinc/06/09/66/166060966.db2.gz LZPSKOZCPOTHSY-ONEGZZNKSA-N 0 0 166.264 2.958 10 0 AFAERN C/C=C/C=C/c1nc([C@@H]2C[C@H]2C)no1 335728363 166061071 /nfs/dbraw/zinc/06/10/71/166061071.db2.gz KUEIMFDLGYYKKG-DMGUWCFESA-N 0 0 190.246 2.782 10 0 AFAERN C/C=C/C=C/C(=O)OCCCCC 28954875 166061076 /nfs/dbraw/zinc/06/10/76/166061076.db2.gz FVEPKSQVIMVXPG-WJDMQLPWSA-N 0 0 182.263 2.852 10 0 AFAERN C/C=C/C=C/C=C/C=C/C1OCCO1 44230546 166061369 /nfs/dbraw/zinc/06/13/69/166061369.db2.gz WNRYZMDFDFDULB-GAXCVXDLSA-N 0 0 192.258 2.604 10 0 AFAERN C/C=C/C=C/C=C/C 96332215 166061705 /nfs/dbraw/zinc/06/17/05/166061705.db2.gz CGMDPTNRMYIZTM-NKYSMPERSA-N 0 0 108.184 2.695 10 0 AFAERN C/C=C/C1=CCCC1 70632461 166061726 /nfs/dbraw/zinc/06/17/26/166061726.db2.gz UNVIKEGMBXZASW-GORDUTHDSA-N 0 0 108.184 2.673 10 0 AFAERN C/C=C/C=C/CNC(=O)OC(C)(C)C 34236210 166061802 /nfs/dbraw/zinc/06/18/02/166061802.db2.gz AUXWNCZOSDYHHJ-BSWSSELBSA-N 0 0 197.278 2.643 10 0 AFAERN C/C=C/C=C/c1nc(C2CC2)no1 306550617 166061806 /nfs/dbraw/zinc/06/18/06/166061806.db2.gz HWFPNWRODYTUBY-MQQKCMAXSA-N 0 0 176.219 2.536 10 0 AFAERN C/C=C/C=C/c1nc([C@@H]2C[C@@H]2C)no1 335728366 166061893 /nfs/dbraw/zinc/06/18/93/166061893.db2.gz KUEIMFDLGYYKKG-VEOWUFTMSA-N 0 0 190.246 2.782 10 0 AFAERN C/C=C/C[C@@H](CC)C(C)=O 38004201 166062447 /nfs/dbraw/zinc/06/24/47/166062447.db2.gz RBYKBTJYPPAYDR-OTQAPUNGSA-N 0 0 140.226 2.568 10 0 AFAERN C/C=C/C[C@@H]1CCCCC[C@@H]1O 43658813 166062649 /nfs/dbraw/zinc/06/26/49/166062649.db2.gz LQNCZEFJMZPPLY-NTYHVHHESA-N 0 0 168.280 2.894 10 0 AFAERN C/C=C/C[S@@](=O)c1ccc(C)cc1 307202027 166062664 /nfs/dbraw/zinc/06/26/64/166062664.db2.gz CZAJQMJEZUAPSO-ITDFMYJTSA-N 0 0 194.299 2.679 10 0 AFAERN C/C=C/C[C@@H]1Cc2ccccc2[C@@H]1O 43659105 166062681 /nfs/dbraw/zinc/06/26/81/166062681.db2.gz PPZJSSZQCXHTQD-FTYDKLPRSA-N 0 0 188.270 2.859 10 0 AFAERN C/C=C/CSc1ccccc1N 19430168 166062832 /nfs/dbraw/zinc/06/28/32/166062832.db2.gz MATOWBGIVGXPKI-NSCUHMNNSA-N 0 0 179.288 2.937 10 0 AFAERN C/C=C/COc1ccccc1C(C)=O 19488703 166062859 /nfs/dbraw/zinc/06/28/59/166062859.db2.gz OKMTUYOYXFZNTH-ONEGZZNKSA-N 0 0 190.242 2.844 10 0 AFAERN C/C=C/CSc1ccc(N)cc1 37182574 166062942 /nfs/dbraw/zinc/06/29/42/166062942.db2.gz CRBRXWHQABQFHZ-NSCUHMNNSA-N 0 0 179.288 2.937 10 0 AFAERN C/C=C/COc1ccc(NC)cc1 38056634 166063109 /nfs/dbraw/zinc/06/31/09/166063109.db2.gz GKVPYVAVPSMBDS-ONEGZZNKSA-N 0 0 177.247 2.683 10 0 AFAERN C/C=C/C[C@H]1Cc2ccccc2[C@@H]1O 43659106 166063237 /nfs/dbraw/zinc/06/32/37/166063237.db2.gz PPZJSSZQCXHTQD-XTGUKYSCSA-N 0 0 188.270 2.859 10 0 AFAERN C/C=C/COc1cccc(O)c1C 36896648 166063239 /nfs/dbraw/zinc/06/32/39/166063239.db2.gz FAXQMLPIXTVYTG-ONEGZZNKSA-N 0 0 178.231 2.656 10 0 AFAERN C/C=C/C[C@H](CC)C(C)=O 38004200 166063420 /nfs/dbraw/zinc/06/34/20/166063420.db2.gz RBYKBTJYPPAYDR-DNQSNQRASA-N 0 0 140.226 2.568 10 0 AFAERN C/C=C/COc1ccc(C(C)=O)cc1 19503867 166063512 /nfs/dbraw/zinc/06/35/12/166063512.db2.gz REUVZTCTXBQZKJ-ONEGZZNKSA-N 0 0 190.242 2.844 10 0 AFAERN C/C=C/C[C@H]1CCCC[C@@H]1O 5132864 166063558 /nfs/dbraw/zinc/06/35/58/166063558.db2.gz GTEBPPNLRMXSKB-AQHVTNBVSA-N 0 0 154.253 2.504 10 0 AFAERN C/C=C/C[C@@H]1CCCCC1=O 38312199 166063579 /nfs/dbraw/zinc/06/35/79/166063579.db2.gz RNJOUKUODKCLQA-GKQMSVHHSA-N 0 0 152.237 2.712 10 0 AFAERN C/C=C/C[S@@](=O)C1CCCCC1 306699873 166063620 /nfs/dbraw/zinc/06/36/20/166063620.db2.gz FIFSQQINACYOJO-QAVQXKDTSA-N 0 0 186.320 2.644 10 0 AFAERN C/C=C/COc1cccc(C(C)=O)c1 19429807 166063625 /nfs/dbraw/zinc/06/36/25/166063625.db2.gz KOCWXCMGQZBQDA-ONEGZZNKSA-N 0 0 190.242 2.844 10 0 AFAERN C/C=C/C[C@H]1CCCCC1=O 38312200 166063758 /nfs/dbraw/zinc/06/37/58/166063758.db2.gz RNJOUKUODKCLQA-HPOULIHZSA-N 0 0 152.237 2.712 10 0 AFAERN C/C=C/COc1ccccc1C 70234514 166063877 /nfs/dbraw/zinc/06/38/77/166063877.db2.gz YALGDKSHRQTYBL-ONEGZZNKSA-N 0 0 162.232 2.950 10 0 AFAERN C/C=C/C[C@H]1CCCCC[C@@H]1O 43658814 166063948 /nfs/dbraw/zinc/06/39/48/166063948.db2.gz LQNCZEFJMZPPLY-ZNRGBCAMSA-N 0 0 168.280 2.894 10 0 AFAERN C/C=C/C[C@@H]1CCCC[C@@H]1O 43658122 166064091 /nfs/dbraw/zinc/06/40/91/166064091.db2.gz GTEBPPNLRMXSKB-NBYFHADBSA-N 0 0 154.253 2.504 10 0 AFAERN C/C=C/C[S@](=O)c1ccc(F)cc1 306296960 166064520 /nfs/dbraw/zinc/06/45/20/166064520.db2.gz AWZPWAJQJMNAAX-IBUXWKBASA-N 0 0 198.262 2.509 10 0 AFAERN C/C=C/[C@H](C)c1cccc(OC)c1N 75580225 166064527 /nfs/dbraw/zinc/06/45/27/166064527.db2.gz QKCBCUOWVGMRAE-DNQSNQRASA-N 0 0 191.274 2.957 10 0 AFAERN C/C=C/[C@@H](C)c1ccc(N)c(N)c1 75566826 166064544 /nfs/dbraw/zinc/06/45/44/166064544.db2.gz NZROXTMNTSIHAL-MPJRPATESA-N 0 0 176.263 2.531 10 0 AFAERN C/C=C/C[S@@](=O)c1cccc(C)c1 306165058 166064611 /nfs/dbraw/zinc/06/46/11/166064611.db2.gz HXWHXPDWYGQAJW-ITDFMYJTSA-N 0 0 194.299 2.679 10 0 AFAERN C/C=C/[C@H](C)/C=C/CC(C)=O 256269849 166064626 /nfs/dbraw/zinc/06/46/26/166064626.db2.gz LACAINMQBHYHMA-IRUBRMGNSA-N 0 0 152.237 2.734 10 0 AFAERN C/C=C/[C@H](C)c1cc(N)ccc1N 75566861 166064748 /nfs/dbraw/zinc/06/47/48/166064748.db2.gz BNOXRDDVFSIQKS-RTMURIBGSA-N 0 0 176.263 2.531 10 0 AFAERN C/C=C/C[S@](=O)c1ccccc1F 307676070 166064837 /nfs/dbraw/zinc/06/48/37/166064837.db2.gz GQJUKKVYPUCFFL-IBUXWKBASA-N 0 0 198.262 2.509 10 0 AFAERN C/C=C/[C@H](C)CCC 110491854 166064884 /nfs/dbraw/zinc/06/48/84/166064884.db2.gz SVGLFIBXFVQUQY-JQTRYQTASA-N 0 0 112.216 2.999 10 0 AFAERN C/C=C/C[S@@](=O)c1ccc(F)cc1 306296961 166064971 /nfs/dbraw/zinc/06/49/71/166064971.db2.gz AWZPWAJQJMNAAX-YWVDXFKGSA-N 0 0 198.262 2.509 10 0 AFAERN C/C=C/[C@@H](C)CCC 110491857 166065071 /nfs/dbraw/zinc/06/50/71/166065071.db2.gz SVGLFIBXFVQUQY-YZCDNWJKSA-N 0 0 112.216 2.999 10 0 AFAERN C/C=C/Cc1cc(C(C)=O)ccc1O 75579709 166065097 /nfs/dbraw/zinc/06/50/97/166065097.db2.gz NMRNPDCDZPTMAN-ONEGZZNKSA-N 0 0 190.242 2.713 10 0 AFAERN C/C=C/[C@@H](C)c1cccc(N)c1N 75566824 166065111 /nfs/dbraw/zinc/06/51/11/166065111.db2.gz ZLCMQQZKLDNILU-RYEJSQLPSA-N 0 0 176.263 2.531 10 0 AFAERN C/C=C/[C@H](C)C1(O)CCCCC1 39184886 166065155 /nfs/dbraw/zinc/06/51/55/166065155.db2.gz ZFDOSEMNRBALSQ-HTZNOQTFSA-N 0 0 168.280 2.894 10 0 AFAERN C/C=C/Cc1ccc(C)nc1 5132865 166065219 /nfs/dbraw/zinc/06/52/19/166065219.db2.gz BLUFNCNDYMJKFL-ONEGZZNKSA-N 0 0 147.221 2.509 10 0 AFAERN C/C=C/Cc1cncc(C)c1 95932485 166065294 /nfs/dbraw/zinc/06/52/94/166065294.db2.gz WXMFRFCRUHOFJY-ONEGZZNKSA-N 0 0 147.221 2.509 10 0 AFAERN C/C=C/[C@H](C)c1ccc(OC)cc1N 39284806 166065303 /nfs/dbraw/zinc/06/53/03/166065303.db2.gz MYSXDMXJOIONEL-MOVJSRMASA-N 0 0 191.274 2.957 10 0 AFAERN C/C=C/C[S@](=O)c1ccc(C)cc1 307202030 166065342 /nfs/dbraw/zinc/06/53/42/166065342.db2.gz CZAJQMJEZUAPSO-OOPCZODUSA-N 0 0 194.299 2.679 10 0 AFAERN C/C=C/[C@H](C)c1ccccc1N 39243915 166065354 /nfs/dbraw/zinc/06/53/54/166065354.db2.gz DRKYYPQOKWVVPM-SWTNXBIASA-N 0 0 161.248 2.948 10 0 AFAERN C/C=C/[C@@H](C)Nc1cccc(N)c1 75566834 166065383 /nfs/dbraw/zinc/06/53/83/166065383.db2.gz SHMCXPYQLQBBBL-HYYFJVDXSA-N 0 0 176.263 2.645 10 0 AFAERN C/C=C/[C@@H](C)Nc1ccccc1N 75566831 166065386 /nfs/dbraw/zinc/06/53/86/166065386.db2.gz WPSMOUULWVVSHD-BSPAPZMXSA-N 0 0 176.263 2.645 10 0 AFAERN C/C=C/Cc1ccccc1C=O 75544647 166065394 /nfs/dbraw/zinc/06/53/94/166065394.db2.gz OOOUVUDEKGQYKH-NSCUHMNNSA-N 0 0 160.216 2.618 10 0 AFAERN C/C=C/[C@@H](C)c1cccc(OC)c1N 75580224 166065400 /nfs/dbraw/zinc/06/54/00/166065400.db2.gz QKCBCUOWVGMRAE-OTQAPUNGSA-N 0 0 191.274 2.957 10 0 AFAERN C/C=C/[C@@H](C)C1(O)CCCCC1 39184885 166065402 /nfs/dbraw/zinc/06/54/02/166065402.db2.gz ZFDOSEMNRBALSQ-KFEJWOFMSA-N 0 0 168.280 2.894 10 0 AFAERN C/C=C/[C@H](C)Nc1cccc(N)c1 75566836 166065404 /nfs/dbraw/zinc/06/54/04/166065404.db2.gz SHMCXPYQLQBBBL-SGRBOOSSSA-N 0 0 176.263 2.645 10 0 AFAERN C/C=C/Cc1cccc2c1NCC2 39202239 166065419 /nfs/dbraw/zinc/06/54/19/166065419.db2.gz WBWVRQXXOFLVPE-NSCUHMNNSA-N 0 0 173.259 2.773 10 0 AFAERN C/C=C/[C@H](C)Nc1ccccc1N 75566832 166065434 /nfs/dbraw/zinc/06/54/34/166065434.db2.gz WPSMOUULWVVSHD-SWTNXBIASA-N 0 0 176.263 2.645 10 0 AFAERN C/C=C/C[S@](=O)C1CCCCC1 306699871 166065457 /nfs/dbraw/zinc/06/54/57/166065457.db2.gz FIFSQQINACYOJO-JDGPPOGSSA-N 0 0 186.320 2.644 10 0 AFAERN C/C=C/[C@@H](C)c1ccc(N)cc1 39284793 166065515 /nfs/dbraw/zinc/06/55/15/166065515.db2.gz AJCDZBVPKZCLIC-CDAZIORVSA-N 0 0 161.248 2.948 10 0 AFAERN C/C=C/[C@H](C)c1ccc(N)cc1 39284794 166065625 /nfs/dbraw/zinc/06/56/25/166065625.db2.gz AJCDZBVPKZCLIC-NWALNABHSA-N 0 0 161.248 2.948 10 0 AFAERN C/C=C/C[S@@](=O)c1ccccc1F 307676071 166065698 /nfs/dbraw/zinc/06/56/98/166065698.db2.gz GQJUKKVYPUCFFL-YWVDXFKGSA-N 0 0 198.262 2.509 10 0 AFAERN C/C=C/Cc1cc(OC)ccc1O 75568459 166065701 /nfs/dbraw/zinc/06/57/01/166065701.db2.gz JYOKKTWBLABNEX-ONEGZZNKSA-N 0 0 178.231 2.519 10 0 AFAERN C/C=C/[C@@H](C)c1ccccc1N 39243914 166065790 /nfs/dbraw/zinc/06/57/90/166065790.db2.gz DRKYYPQOKWVVPM-BSPAPZMXSA-N 0 0 161.248 2.948 10 0 AFAERN C/C=C/[C@@H](C)c1ccc(OC)cc1N 39284805 166065818 /nfs/dbraw/zinc/06/58/18/166065818.db2.gz MYSXDMXJOIONEL-XNPJLODASA-N 0 0 191.274 2.957 10 0 AFAERN C/C=C/[C@@H](C)c1ccc(N)cc1N 75566839 166065834 /nfs/dbraw/zinc/06/58/34/166065834.db2.gz PGEYCPOFLJFDQR-MPJRPATESA-N 0 0 176.263 2.531 10 0 AFAERN C/C=C/[C@H](C)c1ccc(N)c(N)c1 75566829 166065859 /nfs/dbraw/zinc/06/58/59/166065859.db2.gz NZROXTMNTSIHAL-RTMURIBGSA-N 0 0 176.263 2.531 10 0 AFAERN C/C=C/Cn1cnc2ccccc21 36448145 166065899 /nfs/dbraw/zinc/06/58/99/166065899.db2.gz LKWYEPWVDIBOIN-NSCUHMNNSA-N 0 0 172.231 2.612 10 0 AFAERN C/C=C/C[S@](=O)c1cccc(C)c1 306165061 166066033 /nfs/dbraw/zinc/06/60/33/166066033.db2.gz HXWHXPDWYGQAJW-OOPCZODUSA-N 0 0 194.299 2.679 10 0 AFAERN C/C=C/N(C(C)=O)c1cccs1 39126046 166066042 /nfs/dbraw/zinc/06/60/42/166066042.db2.gz FYWKCUZPSUMHBI-ZZXKWVIFSA-N 0 0 181.260 2.635 10 0 AFAERN C/C=C/[C@H](C)c1ccc(N)cc1N 75566842 166066164 /nfs/dbraw/zinc/06/61/64/166066164.db2.gz PGEYCPOFLJFDQR-RTMURIBGSA-N 0 0 176.263 2.531 10 0 AFAERN CC=CNc1ccc(F)cc1 100129743 166066174 /nfs/dbraw/zinc/06/61/74/166066174.db2.gz LEUPUDFHGYTTLS-FARCUNLSSA-N 0 0 151.184 2.771 10 0 AFAERN C/C=C/[C@@H](C)c1cc(N)ccc1N 75566858 166066225 /nfs/dbraw/zinc/06/62/25/166066225.db2.gz BNOXRDDVFSIQKS-MPJRPATESA-N 0 0 176.263 2.531 10 0 AFAERN C/C=C/[C@H](C)c1cccc(N)c1N 75566825 166066275 /nfs/dbraw/zinc/06/62/75/166066275.db2.gz ZLCMQQZKLDNILU-WGAJWPLOSA-N 0 0 176.263 2.531 10 0 AFAERN C/C=C/c1cccc(C)c1O 33946419 166066326 /nfs/dbraw/zinc/06/63/26/166066326.db2.gz QXHZECWIBHLKMB-HWKANZROSA-N 0 0 148.205 2.734 10 0 AFAERN C/C=C/c1cc(OC)ccc1OC 34527985 166066373 /nfs/dbraw/zinc/06/63/73/166066373.db2.gz PPIXTBBFLDNSNH-SNAWJCMRSA-N 0 0 178.231 2.737 10 0 AFAERN C/C=C/c1ccc(CC)cn1 5140315 166066425 /nfs/dbraw/zinc/06/64/25/166066425.db2.gz XIROPQMVYMULAL-HWKANZROSA-N 0 0 147.221 2.677 10 0 AFAERN C/C=C/c1cc(C)c(O)c(OC)c1 64633628 166066443 /nfs/dbraw/zinc/06/64/43/166066443.db2.gz WNRFSDIWIBKOKJ-SNAWJCMRSA-N 0 0 178.231 2.742 10 0 in-vitro AFAERN C/C=C/c1ccc(C=O)cc1 38861958 166066509 /nfs/dbraw/zinc/06/65/09/166066509.db2.gz KWWVKYPHFGKMCB-NSCUHMNNSA-N 0 0 146.189 2.532 10 0 AFAERN C/C=C/c1ccc(C(C)=O)cc1 34408160 166066544 /nfs/dbraw/zinc/06/65/44/166066544.db2.gz PIXKUBMUBIEAPI-ONEGZZNKSA-N 0 0 160.216 2.922 10 0 AFAERN C/C=C/c1ccc(O)c(OC)c1C 64633631 166066971 /nfs/dbraw/zinc/06/69/71/166066971.db2.gz HHZIHDLTDXMWGF-SNAWJCMRSA-N 0 0 178.231 2.742 10 0 in-vitro AFAERN C/C=C/c1ccc2cccnc2c1O 33798877 166066983 /nfs/dbraw/zinc/06/69/83/166066983.db2.gz MWNGBZCMWYKIDR-DUXPYHPUSA-N 0 0 185.226 2.974 10 0 AFAERN C/C=C1/OC(C)(C)O/C1=C/C 201031865 166067169 /nfs/dbraw/zinc/06/71/69/166067169.db2.gz SSDGBVWTNFKWTG-KQQUZDAGSA-N 0 0 154.209 2.577 10 0 AFAERN CC=Cc1c(C(C)C)n[nH]c1C 39103961 166067181 /nfs/dbraw/zinc/06/71/81/166067181.db2.gz BCRSPDVDDLTZGC-AATRIKPKSA-N 0 0 164.252 2.875 10 0 AFAERN C/C=C/c1cccc(C(C)=O)c1 22005053 166067202 /nfs/dbraw/zinc/06/72/02/166067202.db2.gz AJSWIQAQUQHNJK-HWKANZROSA-N 0 0 160.216 2.922 10 0 AFAERN C/C=C/c1ccncc1Br 115986449 166067214 /nfs/dbraw/zinc/06/72/14/166067214.db2.gz UFRAJSFHIHQQOZ-NSCUHMNNSA-N 0 0 198.063 2.877 10 0 AFAERN CC=Cc1cccc(C(C)=O)c1O 34599329 166067228 /nfs/dbraw/zinc/06/72/28/166067228.db2.gz CJRXEXHMOLQBPB-HWKANZROSA-N 0 0 176.215 2.628 10 0 AFAERN C/C=C1/C(=O)O[C@]2(C)CC[C@H]1C2(C)C 39112379 166067261 /nfs/dbraw/zinc/06/72/61/166067261.db2.gz OLRUQJLTFXSSQO-GAVOXZQTSA-N 0 0 194.274 2.684 10 0 AFAERN C/C=C/c1ccc(O)c(OCC)c1 1995175 166067272 /nfs/dbraw/zinc/06/72/72/166067272.db2.gz CITAIFOMEIPORB-HWKANZROSA-N 0 0 178.231 2.824 10 0 AFAERN C/C=C/c1cccc(C)c1N 38879698 166067303 /nfs/dbraw/zinc/06/73/03/166067303.db2.gz KDXGJZMDTXIFPH-HWKANZROSA-N 0 0 147.221 2.610 10 0 AFAERN C/C=C/c1ccccc1C=O 39351704 166067307 /nfs/dbraw/zinc/06/73/07/166067307.db2.gz GMCCYLYNCRYFNB-GORDUTHDSA-N 0 0 146.189 2.532 10 0 AFAERN C/C=C/c1cc(OC)cc(OC)c1 70632591 166067380 /nfs/dbraw/zinc/06/73/80/166067380.db2.gz HWURLGUTRCHSDL-SNAWJCMRSA-N 0 0 178.231 2.737 10 0 AFAERN C/C=C/c1ccc(NC2COC2)cc1 306462910 166067557 /nfs/dbraw/zinc/06/75/57/166067557.db2.gz HEWOIQYGVUVKHW-NSCUHMNNSA-N 0 0 189.258 2.530 10 0 AFAERN C/C=C1/COC[C@@H]1/C=C/CC 256068706 166067641 /nfs/dbraw/zinc/06/76/41/166067641.db2.gz SLSNLZBBFFXGBN-CKHBKBMWSA-N 0 0 152.237 2.545 10 0 AFAERN C/C=C/c1cccc(OC)c1OC 1764654 166067651 /nfs/dbraw/zinc/06/76/51/166067651.db2.gz FVUIKLBBHVVLFZ-GQCTYLIASA-N 0 0 178.231 2.737 10 0 AFAERN C/C=C\C1=CC[C@@H](C(C)=O)CC1 39071671 166068195 /nfs/dbraw/zinc/06/81/95/166068195.db2.gz RUAJLMPLRCGEKX-DLRQAJBASA-N 0 0 164.248 2.878 10 0 AFAERN C/C=C\C(C)=C\C 83333151 166068273 /nfs/dbraw/zinc/06/82/73/166068273.db2.gz KOXWOWPVSGRFCZ-XGXWUAJZSA-N 0 0 96.173 2.529 10 0 AFAERN C/C=C\C=C\NC(=O)OC(C)(C)C 39094439 166068318 /nfs/dbraw/zinc/06/83/18/166068318.db2.gz XUKALTRSOXMVKA-IGTJQSIKSA-N 0 0 183.251 2.601 10 0 AFAERN C/C=C\C1=CC[C@H](C(C)=O)CC1 39071669 166068574 /nfs/dbraw/zinc/06/85/74/166068574.db2.gz RUAJLMPLRCGEKX-BYCRGOAPSA-N 0 0 164.248 2.878 10 0 AFAERN C/C=C\n1ccccc1=S 39124543 166069228 /nfs/dbraw/zinc/06/92/28/166069228.db2.gz HPRINGPUCCRNTQ-KXFIGUGUSA-N 0 0 151.234 2.708 10 0 AFAERN CC=Cc1ccccc1C(C)=O 16999035 166069245 /nfs/dbraw/zinc/06/92/45/166069245.db2.gz PLMSVTIBKTZMRJ-UTCJRWHESA-N 0 0 160.216 2.922 10 0 AFAERN C/C=C\[C@H](CC)NC(=O)OC(C)(C)C 39091261 166069355 /nfs/dbraw/zinc/06/93/55/166069355.db2.gz KUJYSYCIKDBIGR-XZLDQRQTSA-N 0 0 199.294 2.866 10 0 AFAERN C/C=C\c1ccc(C=O)cc1 39061580 166069571 /nfs/dbraw/zinc/06/95/71/166069571.db2.gz KWWVKYPHFGKMCB-IHWYPQMZSA-N 0 0 146.189 2.532 10 0 AFAERN C/C=C\c1cccc(F)c1O 39125517 166069819 /nfs/dbraw/zinc/06/98/19/166069819.db2.gz FZLMTUYDVLFUJR-RQOWECAXSA-N 0 0 152.168 2.564 10 0 AFAERN C/C=C\c1ccc(C(C)=O)cc1 39071035 166069946 /nfs/dbraw/zinc/06/99/46/166069946.db2.gz PIXKUBMUBIEAPI-ARJAWSKDSA-N 0 0 160.216 2.922 10 0 AFAERN C/C=C\c1cc(F)ccc1O 36419363 166069998 /nfs/dbraw/zinc/06/99/98/166069998.db2.gz LHNNAFLUVYGFLN-IHWYPQMZSA-N 0 0 152.168 2.564 10 0 AFAERN C/C=C\c1ccccc1C=O 39061572 166070254 /nfs/dbraw/zinc/07/02/54/166070254.db2.gz GMCCYLYNCRYFNB-DJWKRKHSSA-N 0 0 146.189 2.532 10 0 AFAERN C/C=C\c1ccc(CC)cn1 38615273 166070279 /nfs/dbraw/zinc/07/02/79/166070279.db2.gz XIROPQMVYMULAL-HYXAFXHYSA-N 0 0 147.221 2.677 10 0 AFAERN C/C=C\[C@H](C)c1ccncc1 39054502 166070738 /nfs/dbraw/zinc/07/07/38/166070738.db2.gz VFLUBTSIHBLVIM-TYRPZCRBSA-N 0 0 147.221 2.761 10 0 AFAERN C1=C(c2ccc3c(c2)OCO3)CC1 70632526 166071086 /nfs/dbraw/zinc/07/10/86/166071086.db2.gz LXFLNCNYVKEVTH-UHFFFAOYSA-N 0 0 174.199 2.593 10 0 AFAERN C1=C(c2ccc3c(c2)OCO3)CCC1 34599535 166071588 /nfs/dbraw/zinc/07/15/88/166071588.db2.gz PCMWDTKSSMPQSY-UHFFFAOYSA-N 0 0 188.226 2.983 10 0 AFAERN C1=C2Cc3ccoc3C=C2N=N1 39136322 166073420 /nfs/dbraw/zinc/07/34/20/166073420.db2.gz UZOCKAXZFUDYRP-UHFFFAOYSA-N 0 0 158.160 2.526 10 0 AFAERN C1=C(c2nc(CC3CC3)no2)CCC1 336011555 166073435 /nfs/dbraw/zinc/07/34/35/166073435.db2.gz GECYPTNZRPOVGU-UHFFFAOYSA-N 0 0 190.246 2.589 10 0 AFAERN C1=CC2=C3CC=CN2C(=C1)CC3 100231902 166073637 /nfs/dbraw/zinc/07/36/37/166073637.db2.gz PGJBXCUWGMHYLJ-UHFFFAOYSA-N 0 0 157.216 2.707 10 0 AFAERN C1=CC2=Nc3c(ccc4[nH]cnc34)C2=C1 100289476 166073659 /nfs/dbraw/zinc/07/36/59/166073659.db2.gz CHJWEZLHUBZRJN-UHFFFAOYSA-N 0 0 193.209 2.602 10 0 AFAERN C1=CC2=Nc3ccc4[nH]cnc4c3C2=C1 100285276 166073706 /nfs/dbraw/zinc/07/37/06/166073706.db2.gz SIKYZXVXUGWBJL-UHFFFAOYSA-N 0 0 193.209 2.602 10 0 AFAERN C1=Cc2nc3ccccc3n2C=CC1 100179292 166074075 /nfs/dbraw/zinc/07/40/75/166074075.db2.gz DNSKIVPTNVTNHG-UHFFFAOYSA-N 0 0 182.226 2.843 10 0 AFAERN C1=CC2(CC2)c2ccccc2N1 211286681 166074140 /nfs/dbraw/zinc/07/41/40/166074140.db2.gz MGPGOKLCKKSJDS-UHFFFAOYSA-N 0 0 157.216 2.657 10 0 AFAERN C1=C2Cc3occc3C=C2N=N1 95932778 166074220 /nfs/dbraw/zinc/07/42/20/166074220.db2.gz FFOJRUBWKCKHIF-UHFFFAOYSA-N 0 0 158.160 2.526 10 0 AFAERN C1=CC(=Cc2ccc[nH]2)C=C1 1709999 166074245 /nfs/dbraw/zinc/07/42/45/166074245.db2.gz XYKGGDCSLYGRGE-UHFFFAOYSA-N 0 0 143.189 2.524 10 0 AFAERN C1=C2C(=Nc3ccccc32)CC1 39095510 166074555 /nfs/dbraw/zinc/07/45/55/166074555.db2.gz DNBLHHKTWUDMHE-UHFFFAOYSA-N 0 0 155.200 2.950 10 0 AFAERN C1=C2C=C3CCCC[C@H]3O[C@@H]2CC1 211629976 166074607 /nfs/dbraw/zinc/07/46/07/166074607.db2.gz NXMIIJQVMZVOAE-VXGBXAGGSA-N 0 0 176.259 2.974 10 0 AFAERN C1=C2CC(=C1)n1c(nc3ccccc31)N2 95923105 166074890 /nfs/dbraw/zinc/07/48/90/166074890.db2.gz SIXBDPANPRAZMT-UHFFFAOYSA-N 0 0 195.225 2.590 10 0 AFAERN C1=CCc2ccccc2C=C1 2508018 166075374 /nfs/dbraw/zinc/07/53/74/166075374.db2.gz XHVULKQHRQZNMW-UHFFFAOYSA-N 0 0 142.201 2.812 10 0 in-vitro AFAERN C1=CCn2cnc3cccc(c32)C=C1 95932781 166075409 /nfs/dbraw/zinc/07/54/09/166075409.db2.gz JNARJLNDSUTKBU-UHFFFAOYSA-N 0 0 182.226 2.619 10 0 AFAERN C1=CCc2nc3ccccc3n2C=C1 95923002 166075872 /nfs/dbraw/zinc/07/58/72/166075872.db2.gz OSCLAXDRBOHJGJ-UHFFFAOYSA-N 0 0 182.226 2.619 10 0 AFAERN C1=CCCC=C=CCCC=1 111338707 166075935 /nfs/dbraw/zinc/07/59/35/166075935.db2.gz ADAQQPDXZURMQF-UHFFFAOYSA-N 0 0 132.206 2.983 10 0 AFAERN C1=CC[C@@H](Cn2cccc2)CC1 45630958 166075995 /nfs/dbraw/zinc/07/59/95/166075995.db2.gz ZIFVOFKYAULMLI-LLVKDONJSA-N 0 0 161.248 2.844 10 0 AFAERN C1=CCC[C@H]2S[C@@H]2CC1 17109725 166076243 /nfs/dbraw/zinc/07/62/43/166076243.db2.gz FWVKDFMTBJUULG-HTQZYQBOSA-N 0 0 140.251 2.601 10 0 AFAERN C1=CC[C@H](Cn2cccc2)CC1 45630956 166076301 /nfs/dbraw/zinc/07/63/01/166076301.db2.gz ZIFVOFKYAULMLI-NSHDSACASA-N 0 0 161.248 2.844 10 0 AFAERN C[C@H]1CC[C@H](NO)c2ccccc21 132195546 343895633 /nfs/dbraw/zinc/89/56/33/343895633.db2.gz QTSITMSYTWXHBN-KWQFWETISA-N 0 0 177.247 2.604 10 0 AFAERN C1=COc2ccc3ncsc3c2C1 45237869 166077342 /nfs/dbraw/zinc/07/73/42/166077342.db2.gz UEOHHBQJKCZWAX-UHFFFAOYSA-N 0 0 189.239 2.745 10 0 AFAERN C1=COc2ccc3scnc3c2C1 45237870 166077486 /nfs/dbraw/zinc/07/74/86/166077486.db2.gz HAOAWNPZCWBFIN-UHFFFAOYSA-N 0 0 189.239 2.745 10 0 AFAERN C1=C[C@@H](Oc2cccnc2)CCC1 39089897 166077816 /nfs/dbraw/zinc/07/78/16/166077816.db2.gz XYFUEZQHNAJPLH-SNVBAGLBSA-N 0 0 175.231 2.569 10 0 AFAERN C1=CO[C@H](c2ccccc2)C1 34599009 166077823 /nfs/dbraw/zinc/07/78/23/166077823.db2.gz PQHIJMWKRKSDNQ-JTQLQIEISA-N 0 0 146.189 2.662 10 0 AFAERN C1=COC2=C(C1)C[C@@H]1N=CSC1=C2 45237873 166077871 /nfs/dbraw/zinc/07/78/71/166077871.db2.gz OMRXDLSNVVEFLM-QMMMGPOBSA-N 0 0 191.255 2.606 10 0 AFAERN C1=C[C@H](OCc2ccccc2)OCC1 22004150 166077896 /nfs/dbraw/zinc/07/78/96/166077896.db2.gz GHVRWVGYTRQXAV-LBPRGKRZSA-N 0 0 190.242 2.506 10 0 AFAERN C1=C[C@@H]2CCC3CC[C@@H]1C32 104926116 166077906 /nfs/dbraw/zinc/07/79/06/166077906.db2.gz VVQPGPGAEHQIBD-LGUIWLBCSA-N 0 0 134.222 2.609 10 0 AFAERN C1=CNc2ccccc2C=C1 2511481 166077932 /nfs/dbraw/zinc/07/79/32/166077932.db2.gz DQFQCHIDRBIESA-UHFFFAOYSA-N 0 0 143.189 2.639 10 0 in-vitro AFAERN ON[C@@H](c1cccs1)C1CCCC1 132188044 343895640 /nfs/dbraw/zinc/89/56/40/343895640.db2.gz GLFLSBIECKVANW-SNVBAGLBSA-N 0 0 197.303 2.958 10 0 AFAERN C1=CSc2ccccc2O1 38892336 166078212 /nfs/dbraw/zinc/07/82/12/166078212.db2.gz IBJUOHSSKYWIIN-UHFFFAOYSA-N 0 0 150.202 2.642 10 0 AFAERN ON[C@H](c1cccs1)C1CCCC1 132188257 343895693 /nfs/dbraw/zinc/89/56/93/343895693.db2.gz GLFLSBIECKVANW-JTQLQIEISA-N 0 0 197.303 2.958 10 0 AFAERN C1=COC2=C(C1)C[C@H]1N=CSC1=C2 45237872 166078268 /nfs/dbraw/zinc/07/82/68/166078268.db2.gz OMRXDLSNVVEFLM-MRVPVSSYSA-N 0 0 191.255 2.606 10 0 AFAERN C1=CSc2nc3ccccc3n2C1 73823626 166078338 /nfs/dbraw/zinc/07/83/38/166078338.db2.gz FNEVBZKIDMDGBH-UHFFFAOYSA-N 0 0 188.255 2.656 10 0 AFAERN C1=COC2=C(C1)CCCC2 24191668 166078440 /nfs/dbraw/zinc/07/84/40/166078440.db2.gz ZXJUGAOBVOUBLB-UHFFFAOYSA-N 0 0 136.194 2.749 10 0 AFAERN C1=C[C@@H]2CC[C@H]3CC[C@H]1[C@@H]23 254832929 166078448 /nfs/dbraw/zinc/07/84/48/166078448.db2.gz VVQPGPGAEHQIBD-FIRGSJFUSA-N 0 0 134.222 2.609 10 0 AFAERN C1=CO[C@@H](c2ccccc2)C1 81952339 166078456 /nfs/dbraw/zinc/07/84/56/166078456.db2.gz PQHIJMWKRKSDNQ-SNVBAGLBSA-N 0 0 146.189 2.662 10 0 AFAERN C1=C[C@@H](Sc2cccnn2)CCC1 307297066 166078463 /nfs/dbraw/zinc/07/84/63/166078463.db2.gz PHOAPHFKXUHHKN-SECBINFHSA-N 0 0 192.287 2.677 10 0 AFAERN C1=CSc2ccccc2C1 38482075 166078530 /nfs/dbraw/zinc/07/85/30/166078530.db2.gz JWSWGVMVRLVNAA-UHFFFAOYSA-N 0 0 148.230 2.849 10 0 AFAERN C1=C[C@@H](OCc2ccccc2)OCC1 22004145 166078598 /nfs/dbraw/zinc/07/85/98/166078598.db2.gz GHVRWVGYTRQXAV-GFCCVEGCSA-N 0 0 190.242 2.506 10 0 AFAERN C1=C[C@H]2CCC3CC[C@H]1C32 104926111 166079088 /nfs/dbraw/zinc/07/90/88/166079088.db2.gz VVQPGPGAEHQIBD-DKEVHCRPSA-N 0 0 134.222 2.609 10 0 AFAERN C1=C[C@H]2C[C@@H]1C[C@H]2c1ccncc1 39242469 166079093 /nfs/dbraw/zinc/07/90/93/166079093.db2.gz PKLSXHWGONEQNK-USWWRNFRSA-N 0 0 171.243 2.761 10 0 AFAERN C1=C[C@H](Sc2cccnn2)CCC1 307297067 166079216 /nfs/dbraw/zinc/07/92/16/166079216.db2.gz PHOAPHFKXUHHKN-VIFPVBQESA-N 0 0 192.287 2.677 10 0 AFAERN C1=C[C@H](Oc2cccnc2)CCC1 39089896 166079358 /nfs/dbraw/zinc/07/93/58/166079358.db2.gz XYFUEZQHNAJPLH-JTQLQIEISA-N 0 0 175.231 2.569 10 0 AFAERN C1=Cc2ccccc2CS1 1558218 166079392 /nfs/dbraw/zinc/07/93/92/166079392.db2.gz HCKPQVQJKBSTHP-UHFFFAOYSA-N 0 0 148.230 2.904 10 0 AFAERN C1=Cc2cc3ccccc3nc2OC1 34060940 166079463 /nfs/dbraw/zinc/07/94/63/166079463.db2.gz DBPBGOHOTZAVCG-UHFFFAOYSA-N 0 0 183.210 2.640 10 0 AFAERN C1=Cc2cccn2C=CS1 39079997 166079525 /nfs/dbraw/zinc/07/95/25/166079525.db2.gz WYDMYMBETMEKPZ-UHFFFAOYSA-N 0 0 149.218 2.634 10 0 AFAERN C1=Cc2c([nH]c3ccccc23)C1 45803046 166080019 /nfs/dbraw/zinc/08/00/19/166080019.db2.gz VEOOYKXXDYLCBG-UHFFFAOYSA-N 0 0 155.200 2.737 10 0 AFAERN C1=C[C@H]2C[C@@H]2CC/C=C/1 222337843 166080050 /nfs/dbraw/zinc/08/00/50/166080050.db2.gz PEFROSYSFIJWPM-FTTGQJTNSA-N 0 0 120.195 2.529 10 0 AFAERN C1=Cc2ccsc2SC1 39249576 166080102 /nfs/dbraw/zinc/08/01/02/166080102.db2.gz DHKAFWKGBLDISJ-UHFFFAOYSA-N 0 0 154.259 2.867 10 0 AFAERN C1=Cc2ccccc2SC1 38891496 166080154 /nfs/dbraw/zinc/08/01/54/166080154.db2.gz ONJRTQUWKRDCTA-UHFFFAOYSA-N 0 0 148.230 2.806 10 0 AFAERN C1=C[C@H]2C[C@@H]1C[C@@H]2c1ccncc1 39242470 166080262 /nfs/dbraw/zinc/08/02/62/166080262.db2.gz PKLSXHWGONEQNK-ADEWGFFLSA-N 0 0 171.243 2.761 10 0 AFAERN C1=Cn2c(nc3ccccc32)SC1 95931719 166080464 /nfs/dbraw/zinc/08/04/64/166080464.db2.gz XGIRELGQSVHYNJ-UHFFFAOYSA-N 0 0 188.255 2.613 10 0 AFAERN C1=Cn2c(nc3ccccc32)CS1 95931166 166080528 /nfs/dbraw/zinc/08/05/28/166080528.db2.gz YQXZTIISAXLRLZ-UHFFFAOYSA-N 0 0 188.255 2.711 10 0 AFAERN C1=Cn2c(nc3ccccc32)NS1 95931156 166080804 /nfs/dbraw/zinc/08/08/04/166080804.db2.gz GSAWZLAARZEUOJ-UHFFFAOYSA-N 0 0 189.243 2.538 10 0 AFAERN C1=NCCc2c1sc1c2CCCC1 20921175 166080897 /nfs/dbraw/zinc/08/08/97/166080897.db2.gz JVKWRULEAAEFQV-UHFFFAOYSA-N 0 0 191.299 2.602 10 0 AFAERN C1=Cc2nc3ccccc3n2C=COC1 95923095 166081332 /nfs/dbraw/zinc/08/13/32/166081332.db2.gz ZAYPKRMJIJBEBS-UHFFFAOYSA-N 0 0 198.225 2.508 10 0 AFAERN c1cc2cc3occc3cc2[nH]1 39136311 166081367 /nfs/dbraw/zinc/08/13/67/166081367.db2.gz HYNMBMPMHWWUDT-UHFFFAOYSA-N 0 0 157.172 2.691 10 0 AFAERN C1=Cn2cnc3cccc(c32)SC1 90751083 166081392 /nfs/dbraw/zinc/08/13/92/166081392.db2.gz YWVIAPBSNGHNLN-UHFFFAOYSA-N 0 0 188.255 2.613 10 0 AFAERN C1=Cc2nc3ccccc3n2CS1 95931161 166081509 /nfs/dbraw/zinc/08/15/09/166081509.db2.gz LFOXVMDLWVJQIS-UHFFFAOYSA-N 0 0 188.255 2.711 10 0 AFAERN C1=[NH+]C=C(c2nc3ccccc3[nH]2)CC1 45238348 166081752 /nfs/dbraw/zinc/08/17/52/166081752.db2.gz QVHVNMYXGXTEML-UHFFFAOYSA-N 0 0 197.241 2.768 10 0 AFAERN C1=Cn2cccc3cc-3cc2C1 39080791 166081756 /nfs/dbraw/zinc/08/17/56/166081756.db2.gz NRHXQIMLCXIEPV-UHFFFAOYSA-N 0 0 155.200 2.620 10 0 AFAERN C1=Cc2sccc2SC1 34144123 166081809 /nfs/dbraw/zinc/08/18/09/166081809.db2.gz ZWPJFUYDBVTBQI-UHFFFAOYSA-N 0 0 154.259 2.867 10 0 AFAERN C1=Cc2nc3ccccc3n2SC1 95931716 166081933 /nfs/dbraw/zinc/08/19/33/166081933.db2.gz OSHRMSIYJKYTPX-UHFFFAOYSA-N 0 0 188.255 2.559 10 0 AFAERN C1CC(=C2CCC2)C1 2033808 166083485 /nfs/dbraw/zinc/08/34/85/166083485.db2.gz ANQVAFUCYRTKOQ-UHFFFAOYSA-N 0 0 108.184 2.651 10 0 AFAERN CC(C)[C@@H](C)Nc1ccc(CO)cc1 132335064 343896879 /nfs/dbraw/zinc/89/68/79/343896879.db2.gz VLNCFEQEXIDPPS-SNVBAGLBSA-N 0 0 193.290 2.635 10 0 AFAERN C1CCC(OC2CCCC2)C1 2024034 166087029 /nfs/dbraw/zinc/08/70/29/166087029.db2.gz BOTLEXFFFSMRLQ-UHFFFAOYSA-N 0 0 154.253 2.888 10 0 AFAERN C1CCC2(C1)CCC2 2583677 166088827 /nfs/dbraw/zinc/08/88/27/166088827.db2.gz IWDANOJGJIFBEL-UHFFFAOYSA-N 0 0 110.200 2.731 10 0 AFAERN C1CCCC2(CC1)OCCS2 2040936 166089093 /nfs/dbraw/zinc/08/90/93/166089093.db2.gz YMBFOROXKKKJEE-UHFFFAOYSA-N 0 0 172.293 2.800 10 0 AFAERN C1CCC(c2nnc(C3CCC3)[nH]2)C1 41058420 166089106 /nfs/dbraw/zinc/08/91/06/166089106.db2.gz BNZSTYCAFVOLCT-UHFFFAOYSA-N 0 0 191.278 2.730 10 0 AFAERN C1CCC(c2noc3c2CCN3)CC1 3704119 166089723 /nfs/dbraw/zinc/08/97/23/166089723.db2.gz JJLXFQJTOPAJGH-UHFFFAOYSA-N 0 0 192.262 2.690 10 0 AFAERN C1CCC(c2nnc(C3CC3)[nH]2)CC1 41057769 166089754 /nfs/dbraw/zinc/08/97/54/166089754.db2.gz XGCAUVKWOJDQHH-UHFFFAOYSA-N 0 0 191.278 2.730 10 0 AFAERN C1CCC2(C1)SCCS2 2040937 166089769 /nfs/dbraw/zinc/08/97/69/166089769.db2.gz PQILQFSSQOQLEJ-UHFFFAOYSA-N 0 0 160.307 2.737 10 0 AFAERN C1CCC2=C(C1)CCCO2 24191626 166090324 /nfs/dbraw/zinc/09/03/24/166090324.db2.gz IHWFTSTYHBZNIR-UHFFFAOYSA-N 0 0 138.210 2.625 10 0 AFAERN C1CC[C@@H]2C[C@H]2[C@H]2C[C@H]2C1 254352993 166093171 /nfs/dbraw/zinc/09/31/71/166093171.db2.gz RYKKPRYFAPLJIH-KYXWUPHJSA-N 0 0 136.238 2.833 10 0 AFAERN C1CC[C@H]2CSC[C@@H]2C1 37625733 166093925 /nfs/dbraw/zinc/09/39/25/166093925.db2.gz SJXUGVWKLLOJDR-YUMQZZPRSA-N 0 0 142.267 2.540 10 0 AFAERN C1CC[C@H]2CSC[C@H]2C1 37625736 166094679 /nfs/dbraw/zinc/09/46/79/166094679.db2.gz SJXUGVWKLLOJDR-OCAPTIKFSA-N 0 0 142.267 2.540 10 0 AFAERN C1CC[C@@H]2CC[C@H](C1)P2 84403429 166094897 /nfs/dbraw/zinc/09/48/97/166094897.db2.gz RTWRUXIOIPQRRE-OCAPTIKFSA-N 0 0 142.182 2.770 10 0 AFAERN C1CSCCSCCSC1 392002 166102242 /nfs/dbraw/zinc/10/22/42/166102242.db2.gz OSUBRKJCBHXEAK-UHFFFAOYSA-N 0 0 194.390 2.590 10 0 AFAERN C1CSC2(S1)SCCS2 5134368 166102736 /nfs/dbraw/zinc/10/27/36/166102736.db2.gz OIXFQRVSKVVDFW-UHFFFAOYSA-N 0 0 196.387 2.558 10 0 AFAERN C1C[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C1 100043491 166106368 /nfs/dbraw/zinc/10/63/68/166106368.db2.gz LPSXSORODABQKT-UTINFBMNSA-N 0 0 136.238 2.833 10 0 AFAERN C=C(c1ccccc1)N(CC)C(C)=O 39125806 166138856 /nfs/dbraw/zinc/13/88/56/166138856.db2.gz QQKZBPNNSFVTGN-UHFFFAOYSA-N 0 0 189.258 2.526 10 0 AFAERN C=C(Cl)c1c(C=O)[nH]c(C)c1C 75576365 166139285 /nfs/dbraw/zinc/13/92/85/166139285.db2.gz FBDYDSRJHGIRLC-UHFFFAOYSA-N 0 0 183.638 2.654 10 0 AFAERN CC(=O)C1=CCC(C)(C)C1 39068817 166139383 /nfs/dbraw/zinc/13/93/83/166139383.db2.gz YYPSTLAIXGDCKY-UHFFFAOYSA-N 0 0 138.210 2.805 10 0 AFAERN C=C(OC(C)C)c1ccc(O)cc1 95932517 166139755 /nfs/dbraw/zinc/13/97/55/166139755.db2.gz MZTDMGAIFICFLX-UHFFFAOYSA-N 0 0 178.231 2.788 10 0 AFAERN C=C(c1ccccn1)c1ccccn1 38865673 166139795 /nfs/dbraw/zinc/13/97/95/166139795.db2.gz VXXRMBQHVJKWIC-UHFFFAOYSA-N 0 0 182.226 2.538 10 0 AFAERN C=C(Cl)c1ccccc1 1845955 166139823 /nfs/dbraw/zinc/13/98/23/166139823.db2.gz XHAFIUUYXQFJEW-UHFFFAOYSA-N 0 0 138.597 2.896 10 0 AFAERN C=C(F)c1ccc(C(C)=O)cc1 39071570 166139955 /nfs/dbraw/zinc/13/99/55/166139955.db2.gz HOXKLYUWYXSHNF-UHFFFAOYSA-N 0 0 164.179 2.829 10 0 AFAERN C=C(c1ccccc1F)N1CCCC1 100431883 166140035 /nfs/dbraw/zinc/14/00/35/166140035.db2.gz XTYGGJMBSGWZOC-UHFFFAOYSA-N 0 0 191.249 2.892 10 0 AFAERN CC(=O)c1cc(C(C)C)ccn1 100221314 166140048 /nfs/dbraw/zinc/14/00/48/166140048.db2.gz ONAQLFOBYCQKJQ-UHFFFAOYSA-N 0 0 163.220 2.734 10 0 AFAERN C=C(c1ccco1)c1ccccc1N 75576867 166140525 /nfs/dbraw/zinc/14/05/25/166140525.db2.gz WSXIGRORQZXNDC-UHFFFAOYSA-N 0 0 185.226 2.923 10 0 AFAERN C=C/C=C/N(C)c1ccccc1 33845839 166141018 /nfs/dbraw/zinc/14/10/18/166141018.db2.gz SFFZHSLIAJLTOU-ONNFQVAWSA-N 0 0 159.232 2.823 10 0 AFAERN C=C/C=C/NC(=S)c1ccccc1 56679130 166141074 /nfs/dbraw/zinc/14/10/74/166141074.db2.gz BOFQEACMHOVKHH-YCRREMRBSA-N 0 0 189.283 2.651 10 0 AFAERN C=C/C(C)=C/[C@@H]1O[C@H]1C(C)C 39103159 166141085 /nfs/dbraw/zinc/14/10/85/166141085.db2.gz NLVHMTVVFURSCD-OKJFYCPLSA-N 0 0 152.237 2.542 10 0 AFAERN C=C/C=C/CCC 2528335 166141240 /nfs/dbraw/zinc/14/12/40/166141240.db2.gz OGQVROWWFUXRST-FNORWQNLSA-N 0 0 96.173 2.529 10 0 AFAERN C=C/C=C/c1ccc(C=O)cc1 39063284 166141368 /nfs/dbraw/zinc/14/13/68/166141368.db2.gz YBSAODGYDYQURH-ONEGZZNKSA-N 0 0 158.200 2.698 10 0 AFAERN C=C/C=C/c1cccc(C=O)c1 39063286 166141422 /nfs/dbraw/zinc/14/14/22/166141422.db2.gz SBYMTSUZXZRCHG-HWKANZROSA-N 0 0 158.200 2.698 10 0 AFAERN C=C/C(C)=C/CCC(C)(C)O 33843063 166141431 /nfs/dbraw/zinc/14/14/31/166141431.db2.gz IJFKZRMIRAVXRK-VQHVLOKHSA-N 0 0 154.253 2.670 10 0 in-man,metabolite AFAERN C=C/C(C)=C\C[C@@H]1OC1(C)C 5132227 166141595 /nfs/dbraw/zinc/14/15/95/166141595.db2.gz LIMXJCIGROLRED-XZLDQRQTSA-N 0 0 152.237 2.686 10 0 AFAERN C=C/C(C)=C\C[C@H]1OC1(C)C 5132221 166141628 /nfs/dbraw/zinc/14/16/28/166141628.db2.gz LIMXJCIGROLRED-JGAIRUGNSA-N 0 0 152.237 2.686 10 0 AFAERN C=C/C(C)=C\c1ccc[nH]1 104713545 166141639 /nfs/dbraw/zinc/14/16/39/166141639.db2.gz LMMSBSUEAFOJPO-FPLPWBNLSA-N 0 0 133.194 2.604 10 0 AFAERN C=C/C(C)=C/C[C@@H]1OC1(C)C 15120741 166141720 /nfs/dbraw/zinc/14/17/20/166141720.db2.gz LIMXJCIGROLRED-ORZBULNSSA-N 0 0 152.237 2.686 10 0 AFAERN C=C/C=C/c1ccc2c(c1)OCO2 256013691 166141731 /nfs/dbraw/zinc/14/17/31/166141731.db2.gz YMKOKJHNRULRFW-ONEGZZNKSA-N 0 0 174.199 2.615 10 0 AFAERN C=C/C(C)=C/c1cccnc1 39051444 166141824 /nfs/dbraw/zinc/14/18/24/166141824.db2.gz BLNUCURBRRRVOU-VQHVLOKHSA-N 0 0 145.205 2.671 10 0 AFAERN C=C/C=C\c1ccc(C=O)cc1 39063288 166141908 /nfs/dbraw/zinc/14/19/08/166141908.db2.gz YBSAODGYDYQURH-ARJAWSKDSA-N 0 0 158.200 2.698 10 0 AFAERN C=C/C=C/c1ccccc1C=O 75543743 166141928 /nfs/dbraw/zinc/14/19/28/166141928.db2.gz CMFAYGXRJXBNMM-ZZXKWVIFSA-N 0 0 158.200 2.698 10 0 AFAERN C=C/C=C/Cc1ccc(O)cc1 75544588 166142022 /nfs/dbraw/zinc/14/20/22/166142022.db2.gz NMFQQJCSOTXRLN-ONEGZZNKSA-N 0 0 160.216 2.677 10 0 AFAERN C=C/C(C)=C\c1cccnc1 39051445 166142038 /nfs/dbraw/zinc/14/20/38/166142038.db2.gz BLNUCURBRRRVOU-CLFYSBASSA-N 0 0 145.205 2.671 10 0 AFAERN C=C/C=C(\C)CCC 2564062 166142041 /nfs/dbraw/zinc/14/20/41/166142041.db2.gz AHWGKLXMXHPYBI-SOFGYWHQSA-N 0 0 110.200 2.919 10 0 AFAERN C=C/C(C)=C/[C@H]1O[C@@H]1C(C)C 39103160 166142097 /nfs/dbraw/zinc/14/20/97/166142097.db2.gz NLVHMTVVFURSCD-IZRRHEBBSA-N 0 0 152.237 2.542 10 0 AFAERN C=C/C(C)=C/[C@@H]1O[C@@H]1C(C)C 39103158 166142129 /nfs/dbraw/zinc/14/21/29/166142129.db2.gz NLVHMTVVFURSCD-JSJQHLISSA-N 0 0 152.237 2.542 10 0 AFAERN C=C/C=C\c1ccccc1C=O 39063218 166142165 /nfs/dbraw/zinc/14/21/65/166142165.db2.gz CMFAYGXRJXBNMM-UTCJRWHESA-N 0 0 158.200 2.698 10 0 AFAERN C=C/C=C(\C)C(C)C 2564160 166142174 /nfs/dbraw/zinc/14/21/74/166142174.db2.gz AHWBOJHBQWURGT-SOFGYWHQSA-N 0 0 110.200 2.775 10 0 AFAERN C=C/C(C)=C/C[C@H]1OC1(C)C 15120742 166142264 /nfs/dbraw/zinc/14/22/64/166142264.db2.gz LIMXJCIGROLRED-BNICOGTQSA-N 0 0 152.237 2.686 10 0 AFAERN C=C/C(C)=C\c1ccccn1 39051447 166142368 /nfs/dbraw/zinc/14/23/68/166142368.db2.gz IJXKZKAKNUUZLQ-HJWRWDBZSA-N 0 0 145.205 2.671 10 0 AFAERN C=C/C(C)=C/c1ccccn1 39051446 166142371 /nfs/dbraw/zinc/14/23/71/166142371.db2.gz IJXKZKAKNUUZLQ-CMDGGOBGSA-N 0 0 145.205 2.671 10 0 AFAERN C=C/C=C\N(C)c1ccccc1 39081341 166142461 /nfs/dbraw/zinc/14/24/61/166142461.db2.gz SFFZHSLIAJLTOU-WMZJFQQLSA-N 0 0 159.232 2.823 10 0 AFAERN C=C/C=C\c1cccc(C=O)c1 39063289 166142578 /nfs/dbraw/zinc/14/25/78/166142578.db2.gz SBYMTSUZXZRCHG-HYXAFXHYSA-N 0 0 158.200 2.698 10 0 AFAERN C=C/C(C)=C/c1ccncc1 39051442 166142797 /nfs/dbraw/zinc/14/27/97/166142797.db2.gz QQVNSGRPKSVMPH-CMDGGOBGSA-N 0 0 145.205 2.671 10 0 AFAERN C=C/C(C)=C/[C@H]1O[C@H]1C(C)C 39103161 166142819 /nfs/dbraw/zinc/14/28/19/166142819.db2.gz NLVHMTVVFURSCD-ZQMPTTJKSA-N 0 0 152.237 2.542 10 0 AFAERN C=C/C(C)=C\CCC(C)(C)O 5179011 166142885 /nfs/dbraw/zinc/14/28/85/166142885.db2.gz IJFKZRMIRAVXRK-CLFYSBASSA-N 0 0 154.253 2.670 10 0 AFAERN C=C/C(C)=C\c1ccncc1 39051443 166142950 /nfs/dbraw/zinc/14/29/50/166142950.db2.gz QQVNSGRPKSVMPH-HJWRWDBZSA-N 0 0 145.205 2.671 10 0 AFAERN C=C/C=C\c1ccc(O)cc1 39059007 166143047 /nfs/dbraw/zinc/14/30/47/166143047.db2.gz QPFTUXZQTWMAOU-ARJAWSKDSA-N 0 0 146.189 2.591 10 0 AFAERN C=C/C=C\NC(=S)c1ccccc1 5283004 166143063 /nfs/dbraw/zinc/14/30/63/166143063.db2.gz BOFQEACMHOVKHH-OQFOIZHKSA-N 0 0 189.283 2.651 10 0 AFAERN Cc1ccc2ccccc2n1 148386203 166144951 /nfs/dbraw/zinc/14/49/51/166144951.db2.gz XBTOQLNLAASWDJ-UHFFFAOYSA-N 0 0 143.189 2.639 10 0 AFAERN Cc1ccnc2ccccc12 39051502 166145240 /nfs/dbraw/zinc/14/52/40/166145240.db2.gz ZBSARQBOJOXXST-UHFFFAOYSA-N 0 0 143.189 2.639 10 0 AFAERN C=C1SC(=O)Nc2ccccc21 34723076 166150666 /nfs/dbraw/zinc/15/06/66/166150666.db2.gz BNOSDMJAKUBWAN-UHFFFAOYSA-N 0 0 177.228 2.936 10 0 AFAERN C=C1OCC(C)(C)[C@@H](C(C)C)O1 39104455 166150739 /nfs/dbraw/zinc/15/07/39/166150739.db2.gz OANOQXDRMOYWSF-SECBINFHSA-N 0 0 170.252 2.555 10 0 AFAERN C=C1OCC[C@@H](c2ccccc2)O1 45817325 166150902 /nfs/dbraw/zinc/15/09/02/166150902.db2.gz KXDRLOHAGONQRJ-NSHDSACASA-N 0 0 176.215 2.636 10 0 AFAERN C=C=C1CCCO[C@H]1C(C)C 39103166 166150938 /nfs/dbraw/zinc/15/09/38/166150938.db2.gz DRYTXEJMDZEQPU-JTQLQIEISA-N 0 0 152.237 2.533 10 0 AFAERN C=C1c2ccccc2NC(=O)N1CC 72416044 166151333 /nfs/dbraw/zinc/15/13/33/166151333.db2.gz TYSYFCCQOTVONF-UHFFFAOYSA-N 0 0 188.230 2.525 10 0 AFAERN C=C=C1CCCO[C@@H]1C(C)C 39103165 166151428 /nfs/dbraw/zinc/15/14/28/166151428.db2.gz DRYTXEJMDZEQPU-SNVBAGLBSA-N 0 0 152.237 2.533 10 0 AFAERN C=C1OCC(C)(C)[C@H](C(C)C)O1 39104456 166151764 /nfs/dbraw/zinc/15/17/64/166151764.db2.gz OANOQXDRMOYWSF-VIFPVBQESA-N 0 0 170.252 2.555 10 0 AFAERN C=C1OCC[C@H](c2ccccc2)O1 39120212 166151811 /nfs/dbraw/zinc/15/18/11/166151811.db2.gz KXDRLOHAGONQRJ-LLVKDONJSA-N 0 0 176.215 2.636 10 0 AFAERN Cc1nc2ccccc2s1 100299496 166151838 /nfs/dbraw/zinc/15/18/38/166151838.db2.gz UCIRJYREYJDVKS-UHFFFAOYSA-N 0 0 149.218 2.675 10 0 AFAERN C=C=CCc1ccc(OC)cc1 39089443 166152245 /nfs/dbraw/zinc/15/22/45/166152245.db2.gz WYEXLOMOCNQJAV-UHFFFAOYSA-N 0 0 160.216 2.579 10 0 AFAERN C=C=Cn1c(C)nc2ccccc21 95922618 166152272 /nfs/dbraw/zinc/15/22/72/166152272.db2.gz AASJRPYHIYUCDB-UHFFFAOYSA-N 0 0 170.215 2.600 10 0 AFAERN C=C=CO[C@@H]1C=CCCCC1 39089164 166152320 /nfs/dbraw/zinc/15/23/20/166152320.db2.gz YISKMSJOBNTRQJ-SNVBAGLBSA-N 0 0 150.221 2.800 10 0 AFAERN C=C=Cc1nc2ccccc2o1 39128749 166152361 /nfs/dbraw/zinc/15/23/61/166152361.db2.gz GMZAHDYZADFMBU-UHFFFAOYSA-N 0 0 157.172 2.626 10 0 AFAERN C=C=CO[C@]1(C)C=CCCC1 39089136 166152577 /nfs/dbraw/zinc/15/25/77/166152577.db2.gz FQOAOCVSVBWWSS-SNVBAGLBSA-N 0 0 150.221 2.800 10 0 AFAERN C=C=CO[C@H]1C=CCCCC1 39089163 166152727 /nfs/dbraw/zinc/15/27/27/166152727.db2.gz YISKMSJOBNTRQJ-JTQLQIEISA-N 0 0 150.221 2.800 10 0 AFAERN C=C=Cc1ccc(C(C)=O)cc1 38338403 166152792 /nfs/dbraw/zinc/15/27/92/166152792.db2.gz FMJXOWKUEVYMGW-UHFFFAOYSA-N 0 0 158.200 2.687 10 0 AFAERN C=C=Cn1ccc2ccccc21 38265467 166152807 /nfs/dbraw/zinc/15/28/07/166152807.db2.gz DYGQCVHHKHFTAE-UHFFFAOYSA-N 0 0 155.200 2.897 10 0 AFAERN C=C=CO[C@@]1(C)C=CCCC1 39089137 166152836 /nfs/dbraw/zinc/15/28/36/166152836.db2.gz FQOAOCVSVBWWSS-JTQLQIEISA-N 0 0 150.221 2.800 10 0 AFAERN C=C=CC[C@H](C)NC(=O)OC(C)(C)C 39091192 166152885 /nfs/dbraw/zinc/15/28/85/166152885.db2.gz OVUKIYXABLUGTK-VIFPVBQESA-N 0 0 197.278 2.631 10 0 AFAERN C=CC(=O)Nc1cc(Cl)ccc1F 36334483 166155895 /nfs/dbraw/zinc/15/58/95/166155895.db2.gz IJYOUUAAEINMCW-UHFFFAOYSA-N 0 0 199.612 2.604 10 0 AFAERN C=CC(=O)N[C@@H](CC)c1cccs1 49530997 166157648 /nfs/dbraw/zinc/15/76/48/166157648.db2.gz WVQQICVLVZFQQM-QMMMGPOBSA-N 0 0 195.287 2.501 10 0 AFAERN C=CC(=O)N[C@H](CC)c1cccs1 49530998 166157720 /nfs/dbraw/zinc/15/77/20/166157720.db2.gz WVQQICVLVZFQQM-MRVPVSSYSA-N 0 0 195.287 2.501 10 0 AFAERN C=CC(=O)Oc1ccc(CCC)cc1 14968982 166158693 /nfs/dbraw/zinc/15/86/93/166158693.db2.gz UCAXSSLSIVOWFR-UHFFFAOYSA-N 0 0 190.242 2.731 10 0 AFAERN C=CC(=O)OCCCCC(C)C 38656211 166159724 /nfs/dbraw/zinc/15/97/24/166159724.db2.gz BUIZICPOJVBQGZ-UHFFFAOYSA-N 0 0 170.252 2.542 10 0 AFAERN C=CC(=O)OC(C)(C)C(C)(C)C 35569626 166159796 /nfs/dbraw/zinc/15/97/96/166159796.db2.gz LSMMPNJVETUZFD-UHFFFAOYSA-N 0 0 170.252 2.540 10 0 AFAERN C=CC(=O)Nc1cccc(Cl)c1F 36334309 166159798 /nfs/dbraw/zinc/15/97/98/166159798.db2.gz TYNXIOCTUMLQRW-UHFFFAOYSA-N 0 0 199.612 2.604 10 0 AFAERN C=CC1=CCCO[C@@H]1C(C)C 39103127 166161462 /nfs/dbraw/zinc/16/14/62/166161462.db2.gz DJIOHSOZVLOCIM-SNVBAGLBSA-N 0 0 152.237 2.544 10 0 AFAERN C=CC1=CCCCC1 60055309 166162075 /nfs/dbraw/zinc/16/20/75/166162075.db2.gz SDRZFSPCVYEJTP-UHFFFAOYSA-N 0 0 108.184 2.673 10 0 AFAERN C=CC1=CCCO[C@H]1C(C)C 39103128 166162305 /nfs/dbraw/zinc/16/23/05/166162305.db2.gz DJIOHSOZVLOCIM-JTQLQIEISA-N 0 0 152.237 2.544 10 0 AFAERN c1cc2c(ccc3ncsc32)[nH]1 45237691 166082048 /nfs/dbraw/zinc/08/20/48/166082048.db2.gz GCUXYXLUBFFJLB-UHFFFAOYSA-N 0 0 174.228 2.555 10 0 AFAERN C1=[NH+]C2=Cc3ccccc3C2=C1 104675942 166082262 /nfs/dbraw/zinc/08/22/62/166082262.db2.gz CNAFOLPGHNAMBW-UHFFFAOYSA-N 0 0 153.184 2.509 10 0 AFAERN Cc1cnccc1[C@H](O)C1CCCC1 132821670 343905317 /nfs/dbraw/zinc/90/53/17/343905317.db2.gz LZOMCSXXAIGGHZ-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN C=CN1CSc2ccccc21 100232436 166210068 /nfs/dbraw/zinc/21/00/68/166210068.db2.gz DCMJWQZHGVOBOT-UHFFFAOYSA-N 0 0 163.245 2.700 10 0 AFAERN C=CNc1ccc(C)nc1Cl 238520014 166210869 /nfs/dbraw/zinc/21/08/69/166210869.db2.gz DPPDIFVXILJGLS-UHFFFAOYSA-N 0 0 168.627 2.599 10 0 AFAERN C=COc1cc(C=C)ccc1F 39089087 166211392 /nfs/dbraw/zinc/21/13/92/166211392.db2.gz TVSXJNYHKFBVMR-UHFFFAOYSA-N 0 0 164.179 2.991 10 0 AFAERN C=COc1cccc2cccnc12 33866014 166211537 /nfs/dbraw/zinc/21/15/37/166211537.db2.gz ZBSVEJZLCNGXHU-UHFFFAOYSA-N 0 0 171.199 2.757 10 0 AFAERN C=COc1cc(C)cc(C)c1 34617052 166211565 /nfs/dbraw/zinc/21/15/65/166211565.db2.gz LUDKCOOBVGFODY-UHFFFAOYSA-N 0 0 148.205 2.826 10 0 AFAERN C=COc1cccc(Cl)c1 85503282 166211733 /nfs/dbraw/zinc/21/17/33/166211733.db2.gz CCQRJBRMSLFVFP-UHFFFAOYSA-N 0 0 154.596 2.862 10 0 AFAERN C=COc1ccccc1C 37633573 166211953 /nfs/dbraw/zinc/21/19/53/166211953.db2.gz TWWWGBSUPNNTMJ-UHFFFAOYSA-N 0 0 134.178 2.517 10 0 AFAERN C=COc1nc2ccccc2n1C=C 95923373 166211988 /nfs/dbraw/zinc/21/19/88/166211988.db2.gz REGGVQSERYWKPE-UHFFFAOYSA-N 0 0 186.214 2.659 10 0 AFAERN C=CO[C@@H](C)c1ccccc1 38415794 166211989 /nfs/dbraw/zinc/21/19/89/166211989.db2.gz CRWWEKKKSYEDEL-VIFPVBQESA-N 0 0 148.205 2.908 10 0 AFAERN C=COCCCCCCOC=C 2557031 166212008 /nfs/dbraw/zinc/21/20/08/166212008.db2.gz JOSFJABFAXRZJQ-UHFFFAOYSA-N 0 0 170.252 2.867 10 0 AFAERN C=COCC1CCCCC1 34732055 166212033 /nfs/dbraw/zinc/21/20/33/166212033.db2.gz BIUZXWXXSCLGNK-UHFFFAOYSA-N 0 0 140.226 2.727 10 0 AFAERN C=COc1ccc(C)cc1 32302072 166212048 /nfs/dbraw/zinc/21/20/48/166212048.db2.gz YXHRYLHTQVXZIK-UHFFFAOYSA-N 0 0 134.178 2.517 10 0 AFAERN C=COCCCc1ccccc1 39252416 166212096 /nfs/dbraw/zinc/21/20/96/166212096.db2.gz KVLBWFMQNBRDFO-UHFFFAOYSA-N 0 0 162.232 2.779 10 0 AFAERN C=CO[C@@H]1CCC2=C1CCC2 39089101 166212121 /nfs/dbraw/zinc/21/21/21/166212121.db2.gz MAJAYAFILCPWKI-SNVBAGLBSA-N 0 0 150.221 2.789 10 0 AFAERN C=COc1ccc2ncccc2c1 5480686 166212134 /nfs/dbraw/zinc/21/21/34/166212134.db2.gz STBBGXCELOSTPW-UHFFFAOYSA-N 0 0 171.199 2.757 10 0 AFAERN C=COC/C=C/c1ccccc1 85503439 166212155 /nfs/dbraw/zinc/21/21/55/166212155.db2.gz BRNKJOZWDVEPAQ-RMKNXTFCSA-N 0 0 160.216 2.860 10 0 AFAERN C=COc1cnc2ccccc2c1 33865928 166212158 /nfs/dbraw/zinc/21/21/58/166212158.db2.gz JQCWZQDHPSCDDN-UHFFFAOYSA-N 0 0 171.199 2.757 10 0 AFAERN C=COc1ccc(C)c(C)c1 39208708 166212166 /nfs/dbraw/zinc/21/21/66/166212166.db2.gz CURIHACLVYJLCL-UHFFFAOYSA-N 0 0 148.205 2.826 10 0 AFAERN C=COCCCCCC 1702394 166212168 /nfs/dbraw/zinc/21/21/68/166212168.db2.gz YAOJJEJGPZRYJF-UHFFFAOYSA-N 0 0 128.215 2.727 10 0 AFAERN C=CO[C@H](C)c1ccccc1 38415795 166212214 /nfs/dbraw/zinc/21/22/14/166212214.db2.gz CRWWEKKKSYEDEL-SECBINFHSA-N 0 0 148.205 2.908 10 0 AFAERN C=CO[C@H]1CCC2=C1CCC2 39089102 166212215 /nfs/dbraw/zinc/21/22/15/166212215.db2.gz MAJAYAFILCPWKI-JTQLQIEISA-N 0 0 150.221 2.789 10 0 AFAERN C=C[P@](=O)(CC)c1ccccc1 21998567 166221943 /nfs/dbraw/zinc/22/19/43/166221943.db2.gz FTRXXAVDMIJODA-LBPRGKRZSA-N 0 0 180.187 2.838 10 0 AFAERN C=C[P@@](=O)(CC)c1ccccc1 21998573 166222028 /nfs/dbraw/zinc/22/20/28/166222028.db2.gz FTRXXAVDMIJODA-GFCCVEGCSA-N 0 0 180.187 2.838 10 0 AFAERN C=Cc1ccc(-c2ccccc2)nn1 114836024 166222256 /nfs/dbraw/zinc/22/22/56/166222256.db2.gz XJNJBLRUTKNADX-UHFFFAOYSA-N 0 0 182.226 2.787 10 0 AFAERN C=Cc1ccc(Cl)c(N)c1 75540617 166222316 /nfs/dbraw/zinc/22/23/16/166222316.db2.gz RVGRVAFPWFVYQV-UHFFFAOYSA-N 0 0 153.612 2.565 10 0 AFAERN C=Cc1ccc(CC)s1 39299436 166222526 /nfs/dbraw/zinc/22/25/26/166222526.db2.gz MBQLPYNORVSNSN-UHFFFAOYSA-N 0 0 138.235 2.954 10 0 AFAERN C=Cc1ccc(C(=O)C(F)F)cc1 39054986 166222585 /nfs/dbraw/zinc/22/25/85/166222585.db2.gz SSZGNINRZBIWJR-UHFFFAOYSA-N 0 0 182.169 2.777 10 0 AFAERN C=Cc1cc2cc(OC)ccc2[nH]1 36472192 166222679 /nfs/dbraw/zinc/22/26/79/166222679.db2.gz YCEHKOJSKAMBOS-UHFFFAOYSA-N 0 0 173.215 2.820 10 0 AFAERN C=Cc1cc2ccc(F)cc2[nH]1 45802881 166222720 /nfs/dbraw/zinc/22/27/20/166222720.db2.gz YFDJASJVEOFERL-UHFFFAOYSA-N 0 0 161.179 2.950 10 0 AFAERN C=Cc1ccc(F)cc1NC 39088452 166222761 /nfs/dbraw/zinc/22/27/61/166222761.db2.gz SKTCQCUGOUBOMB-UHFFFAOYSA-N 0 0 151.184 2.510 10 0 AFAERN C=Cc1ccc(OC(C)(C)C)nc1 39089980 166222784 /nfs/dbraw/zinc/22/27/84/166222784.db2.gz QOXPZRFVNCVWBY-UHFFFAOYSA-N 0 0 177.247 2.902 10 0 AFAERN C=Cc1cc2cccc(F)c2[nH]1 45802879 166222790 /nfs/dbraw/zinc/22/27/90/166222790.db2.gz ZRCCSVCRBVQEIX-UHFFFAOYSA-N 0 0 161.179 2.950 10 0 AFAERN C=Cc1ccc2c(c1CC)COC2=O 113484958 166222875 /nfs/dbraw/zinc/22/28/75/166222875.db2.gz DUNYZCPJPCVANG-UHFFFAOYSA-N 0 0 188.226 2.562 10 0 AFAERN C=Cc1cccc(C(C)C)n1 39051633 166223045 /nfs/dbraw/zinc/22/30/45/166223045.db2.gz TUYMCSPNQBOELA-UHFFFAOYSA-N 0 0 147.221 2.848 10 0 AFAERN C=Cc1cccc2c1nc(CC)n2C 45238563 166223134 /nfs/dbraw/zinc/22/31/34/166223134.db2.gz KENLVABOPOJBMK-UHFFFAOYSA-N 0 0 186.258 2.779 10 0 AFAERN C=Cc1ccc(C(C)=O)c(C)c1 39070967 166223150 /nfs/dbraw/zinc/22/31/50/166223150.db2.gz JNCXOWYOFMGWFL-UHFFFAOYSA-N 0 0 160.216 2.841 10 0 AFAERN C=Cc1ccc(Br)o1 82762119 166223199 /nfs/dbraw/zinc/22/31/99/166223199.db2.gz HPBWTSLTALSBFI-UHFFFAOYSA-N 0 0 173.009 2.685 10 0 AFAERN C=Cc1ccc(OC)c(OCC)c1 38212636 166223227 /nfs/dbraw/zinc/22/32/27/166223227.db2.gz JHKSRHLIASTZOH-UHFFFAOYSA-N 0 0 178.231 2.737 10 0 AFAERN C=Cc1ccc2cnccc2c1 116421567 166223229 /nfs/dbraw/zinc/22/32/29/166223229.db2.gz NSHHIKUNMOYGBM-UHFFFAOYSA-N 0 0 155.200 2.878 10 0 AFAERN C=Cc1ccc2c(c1Cl)COC2=O 113484396 166223254 /nfs/dbraw/zinc/22/32/54/166223254.db2.gz QOPMBVMNOKGOSY-UHFFFAOYSA-N 0 0 194.617 2.653 10 0 AFAERN C=Cc1ccc(OCC)c(OC)c1 70632481 166223295 /nfs/dbraw/zinc/22/32/95/166223295.db2.gz ZQFAUZWIGMLATP-UHFFFAOYSA-N 0 0 178.231 2.737 10 0 AFAERN C=Cc1ccc(O)c(Cl)c1 39125565 166223328 /nfs/dbraw/zinc/22/33/28/166223328.db2.gz YRAPVNJUDMVTFR-UHFFFAOYSA-N 0 0 154.596 2.689 10 0 AFAERN C=Cc1ccc(OC)cc1C 22003264 166223333 /nfs/dbraw/zinc/22/33/33/166223333.db2.gz LEISXXKFNHMJKW-UHFFFAOYSA-N 0 0 148.205 2.647 10 0 AFAERN C=Cc1cc2ccccc2[nH]1 34596277 166223363 /nfs/dbraw/zinc/22/33/63/166223363.db2.gz LSSICPJTIPBTDD-UHFFFAOYSA-N 0 0 143.189 2.811 10 0 AFAERN C=Cc1ccc(OC)c(Cl)c1 38301598 166223364 /nfs/dbraw/zinc/22/33/64/166223364.db2.gz VEAQVEYNUAWUMC-UHFFFAOYSA-N 0 0 168.623 2.992 10 0 AFAERN C=Cc1ccc(Br)c(N)c1 39189572 166223378 /nfs/dbraw/zinc/22/33/78/166223378.db2.gz MXUCYHZZARBQGP-UHFFFAOYSA-N 0 0 198.063 2.674 10 0 AFAERN C=Cc1cccc2c1COC(C)(C)O2 39119994 166223380 /nfs/dbraw/zinc/22/33/80/166223380.db2.gz XZPQBLFUXUKEJB-UHFFFAOYSA-N 0 0 190.242 2.975 10 0 AFAERN C=Cc1cccc(OCC)c1 38218568 166223397 /nfs/dbraw/zinc/22/33/97/166223397.db2.gz LXOOIXRLEJSMKX-UHFFFAOYSA-N 0 0 148.205 2.728 10 0 AFAERN C=Cc1ccc2ncc(C)nc2c1 39134583 166223484 /nfs/dbraw/zinc/22/34/84/166223484.db2.gz ZZWQVENAEOXJRU-UHFFFAOYSA-N 0 0 170.215 2.581 10 0 AFAERN C=Cc1cccc(OCC)c1OC 34604344 166223488 /nfs/dbraw/zinc/22/34/88/166223488.db2.gz IWHXHUIREGNCMK-UHFFFAOYSA-N 0 0 178.231 2.737 10 0 AFAERN C=Cc1cccn1C(C)(C)C 39079960 166223720 /nfs/dbraw/zinc/22/37/20/166223720.db2.gz ZUABWJBYTPYZMM-UHFFFAOYSA-N 0 0 149.237 2.886 10 0 AFAERN C=Cc1nc(-c2ccc(C)cc2)no1 34295368 166224133 /nfs/dbraw/zinc/22/41/33/166224133.db2.gz WRDMIWJKLQSHEV-UHFFFAOYSA-N 0 0 186.214 2.688 10 0 AFAERN C=Cc1nc2c(o1)-c1ccccc1C2=O 39112586 166224220 /nfs/dbraw/zinc/22/42/20/166224220.db2.gz LEMOPUZXQLXFFU-UHFFFAOYSA-N 0 0 197.193 2.529 10 0 AFAERN C=Cc1ccccc1[C@H](O)CC 34179481 166224478 /nfs/dbraw/zinc/22/44/78/166224478.db2.gz HSOHTOBAYQBMOX-LLVKDONJSA-N 0 0 162.232 2.773 10 0 AFAERN C=Cc1nc2ccccc2s1 45238190 166224491 /nfs/dbraw/zinc/22/44/91/166224491.db2.gz BNNNAVQJVYKEHQ-UHFFFAOYSA-N 0 0 161.229 2.939 10 0 AFAERN C=Cn1c(CC)nc2ccccc21 95924250 166224514 /nfs/dbraw/zinc/22/45/14/166224514.db2.gz MUINYCGPKUFGIG-UHFFFAOYSA-N 0 0 172.231 2.699 10 0 AFAERN C=Cc1nc2ccccc2nc1C 39134296 166224552 /nfs/dbraw/zinc/22/45/52/166224552.db2.gz BRLFOTQTAACVPJ-UHFFFAOYSA-N 0 0 170.215 2.581 10 0 AFAERN C=Cn1cc(C(C)=O)c2ccccc21 90750876 166224554 /nfs/dbraw/zinc/22/45/54/166224554.db2.gz SAHMZWUKZCYVCW-UHFFFAOYSA-N 0 0 185.226 2.944 10 0 AFAERN C=Cc1nc2cc(C)c(C)cc2[nH]1 59268075 166224559 /nfs/dbraw/zinc/22/45/59/166224559.db2.gz ZBROKEOFSJLGFN-UHFFFAOYSA-N 0 0 172.231 2.823 10 0 AFAERN C=Cn1ccnc1-c1ccccc1 1840979 166224576 /nfs/dbraw/zinc/22/45/76/166224576.db2.gz HAWZITGJTUAVQW-UHFFFAOYSA-N 0 0 170.215 2.651 10 0 AFAERN C=Cn1ccc2ccccc21 24769735 166224646 /nfs/dbraw/zinc/22/46/46/166224646.db2.gz RCSKFKICHQAKEZ-UHFFFAOYSA-N 0 0 143.189 2.742 10 0 AFAERN C=Cn1ccc(/C=C\C)c1 39078030 166224671 /nfs/dbraw/zinc/22/46/71/166224671.db2.gz BYGGDXLPDYBCAL-HYXAFXHYSA-N 0 0 133.194 2.622 10 0 AFAERN C=Cn1cccc1C(C)C 39078205 166224685 /nfs/dbraw/zinc/22/46/85/166224685.db2.gz WMGJTUTVLDPVRW-UHFFFAOYSA-N 0 0 135.210 2.712 10 0 AFAERN C=Cn1ccc(C(C)C)c1 39078193 166224703 /nfs/dbraw/zinc/22/47/03/166224703.db2.gz DNJHXCNSCBXCKB-UHFFFAOYSA-N 0 0 135.210 2.712 10 0 AFAERN C=Cc1cnc(C)c(CC)c1 38886802 166224705 /nfs/dbraw/zinc/22/47/05/166224705.db2.gz SFIFMPZUHOERJV-UHFFFAOYSA-N 0 0 147.221 2.595 10 0 AFAERN C=Cc1cn(C)c2ccccc12 34265374 166224795 /nfs/dbraw/zinc/22/47/95/166224795.db2.gz MXLDILMYRIVLKC-UHFFFAOYSA-N 0 0 157.216 2.821 10 0 AFAERN C=Cn1c(=S)[nH]c2ccccc21 39192224 166224821 /nfs/dbraw/zinc/22/48/21/166224821.db2.gz USBQLULIADULSV-UHFFFAOYSA-N 0 0 176.244 2.799 10 0 AFAERN C=Cc1cnn(-c2ccccc2)c1 34599242 166224869 /nfs/dbraw/zinc/22/48/69/166224869.db2.gz JKEMTSULTWYJCT-UHFFFAOYSA-N 0 0 170.215 2.515 10 0 AFAERN C=Cc1[nH]cc(C)c2cccc(=O)c1-2 75576870 166224870 /nfs/dbraw/zinc/22/48/70/166224870.db2.gz CYNMRDUCRUHDJV-UHFFFAOYSA-N 0 0 185.226 2.892 10 0 AFAERN C=Cn1c(C)cc2c1CCCC2 39081560 166224877 /nfs/dbraw/zinc/22/48/77/166224877.db2.gz AQXISSQTRVZXMO-UHFFFAOYSA-N 0 0 161.248 2.776 10 0 AFAERN C=Cc1cn2cc(Cl)ccc2n1 89201660 166224885 /nfs/dbraw/zinc/22/48/85/166224885.db2.gz APEHVIMDCDTKRK-UHFFFAOYSA-N 0 0 178.622 2.631 10 0 AFAERN C=Cn1c(SC)nc2ccccc21 95924526 166224887 /nfs/dbraw/zinc/22/48/87/166224887.db2.gz JUJQETPAYVUZKY-UHFFFAOYSA-N 0 0 190.271 2.859 10 0 AFAERN C=Cc1ccccc1[C@@H](O)CC 34179480 166224888 /nfs/dbraw/zinc/22/48/88/166224888.db2.gz HSOHTOBAYQBMOX-NSHDSACASA-N 0 0 162.232 2.773 10 0 AFAERN C=Cc1nc(-c2ccc(F)cc2)no1 70580967 166224915 /nfs/dbraw/zinc/22/49/15/166224915.db2.gz VIXYAQIHQDOFHQ-UHFFFAOYSA-N 0 0 190.177 2.519 10 0 AFAERN C=Cn1cnc2cc(C)c(C)cc21 95922456 166225994 /nfs/dbraw/zinc/22/59/94/166225994.db2.gz VHOOEHAVNHNUPK-UHFFFAOYSA-N 0 0 172.231 2.754 10 0 AFAERN C=S(=C)(C)c1ccc(C(C)=O)cc1 59796814 166226138 /nfs/dbraw/zinc/22/61/38/166226138.db2.gz ZHIFURQDTKCQBT-UHFFFAOYSA-N 0 0 194.299 2.547 10 0 AFAERN C=Cn1nc(Cl)c2ccccc21 196415652 166226275 /nfs/dbraw/zinc/22/62/75/166226275.db2.gz AMTNZCHJSDVJOT-UHFFFAOYSA-N 0 0 178.622 2.790 10 0 AFAERN CC(=C1CCCCC1)[N+](=O)[O-] 104839661 166229684 /nfs/dbraw/zinc/22/96/84/166229684.db2.gz QVIOQWKDMKDIQK-UHFFFAOYSA-N 0 0 155.197 2.501 10 0 AFAERN Cc1csc(NC2CC=CC2)n1 133321182 343915810 /nfs/dbraw/zinc/91/58/10/343915810.db2.gz RODAFESCECSTPI-UHFFFAOYSA-N 0 0 180.276 2.582 10 0 AFAERN CC(=N)Nc1nc2ccccc2s1 45238194 166231121 /nfs/dbraw/zinc/23/11/21/166231121.db2.gz BZXNIUUOAOQIAR-UHFFFAOYSA-N 0 0 191.259 2.705 10 0 AFAERN CC(=C=C(C)c1ccccc1)CO 37628868 166231518 /nfs/dbraw/zinc/23/15/18/166231518.db2.gz NHYHEWQCOPRFGD-UHFFFAOYSA-N 0 0 174.243 2.627 10 0 AFAERN CC(=N)Nc1nsc2ccccc12 28712983 166231771 /nfs/dbraw/zinc/23/17/71/166231771.db2.gz WCGVLARAYQQKEY-UHFFFAOYSA-N 0 0 191.259 2.705 10 0 AFAERN CC(=O)C(C)(C)SC(F)(F)F 39399336 166234475 /nfs/dbraw/zinc/23/44/75/166234475.db2.gz ZBZRXDUUJBXPEP-UHFFFAOYSA-N 0 0 186.198 2.607 10 0 AFAERN CC(=O)C1(c2ccccc2Cl)CC1 71506936 166234615 /nfs/dbraw/zinc/23/46/15/166234615.db2.gz YNZOTKYHKBBCCC-UHFFFAOYSA-N 0 0 194.661 2.961 10 0 AFAERN Cc1cccnc1NC1CC=CC1 133340321 343916343 /nfs/dbraw/zinc/91/63/43/343916343.db2.gz AOAMKAKCJMCLME-UHFFFAOYSA-N 0 0 174.247 2.521 10 0 AFAERN CC(=O)C(C)(C)c1cccs1 71496351 166234742 /nfs/dbraw/zinc/23/47/42/166234742.db2.gz VIBSASKDBHVGDT-UHFFFAOYSA-N 0 0 168.261 2.615 10 0 AFAERN CC(=O)C1(c2cccc(Cl)c2)CC1 11884134 166234873 /nfs/dbraw/zinc/23/48/73/166234873.db2.gz KGIRTJGHZVKVBS-UHFFFAOYSA-N 0 0 194.661 2.961 10 0 AFAERN CC(=O)C(F)(F)c1cc(C)cc(C)c1 216649432 166234920 /nfs/dbraw/zinc/23/49/20/166234920.db2.gz AAGFYDBTNJVJHR-UHFFFAOYSA-N 0 0 198.212 2.984 10 0 AFAERN CC(=O)C(F)(F)CC=C(C)C 17558741 166235053 /nfs/dbraw/zinc/23/50/53/166235053.db2.gz HNGWAGXENVVKQW-UHFFFAOYSA-N 0 0 162.179 2.567 10 0 AFAERN CC(=O)C/C=C(\C)C(C)C 39069061 166235254 /nfs/dbraw/zinc/23/52/54/166235254.db2.gz KHDNNGOUYXXVKI-VMPITWQZSA-N 0 0 140.226 2.568 10 0 AFAERN CC(=O)C(C)(C)c1ccccc1F 11885928 166235324 /nfs/dbraw/zinc/23/53/24/166235324.db2.gz VLWNYZUHXXBGFI-UHFFFAOYSA-N 0 0 180.222 2.692 10 0 AFAERN CC(=O)C1(c2ccc(C)cc2C)CC1 71500226 166235355 /nfs/dbraw/zinc/23/53/55/166235355.db2.gz XSGRHIMDFNIFEK-UHFFFAOYSA-N 0 0 188.270 2.924 10 0 AFAERN CC(=O)C1(c2cccc(C)c2)CC1 71496819 166235466 /nfs/dbraw/zinc/23/54/66/166235466.db2.gz BAIHGXRHGHVDOV-UHFFFAOYSA-N 0 0 174.243 2.616 10 0 AFAERN CC(=O)C1(Cc2cccc(C)c2)CC1 71500219 166235474 /nfs/dbraw/zinc/23/54/74/166235474.db2.gz JZULAXCBDWPGSO-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN CC(=O)C1(Cc2ccccc2C)CC1 71500217 166235524 /nfs/dbraw/zinc/23/55/24/166235524.db2.gz VPWVRRTVUSZUPF-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN CC(=O)C1(Cc2ccc(C)cc2)CC1 71500220 166235591 /nfs/dbraw/zinc/23/55/91/166235591.db2.gz RHKRHRYRNUCLQT-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN CC(=O)C(C)(C)c1ccc(F)c(F)c1 71507681 166235592 /nfs/dbraw/zinc/23/55/92/166235592.db2.gz ZOLKTMBHWAZMMN-UHFFFAOYSA-N 0 0 198.212 2.831 10 0 AFAERN CC(=O)C1(c2ccc(F)cc2)CCC1 11885525 166235602 /nfs/dbraw/zinc/23/56/02/166235602.db2.gz WQCKCFWIHAPNQC-UHFFFAOYSA-N 0 0 192.233 2.836 10 0 AFAERN CC(=O)C(C)(C)c1ccccc1C 71497056 166235606 /nfs/dbraw/zinc/23/56/06/166235606.db2.gz PFVJXJBTUGHAEB-UHFFFAOYSA-N 0 0 176.259 2.862 10 0 AFAERN CC(=O)C1(Cc2ccccc2)CC1 71482976 166235610 /nfs/dbraw/zinc/23/56/10/166235610.db2.gz USYWOKBUZMAGIH-UHFFFAOYSA-N 0 0 174.243 2.598 10 0 AFAERN CC(=O)C1(Cc2ccc(F)cc2)CC1 71506076 166235611 /nfs/dbraw/zinc/23/56/11/166235611.db2.gz YZOZBUHEYRTETG-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN CC(=O)C(C)(C)c1ccc(F)cc1F 71507682 166235629 /nfs/dbraw/zinc/23/56/29/166235629.db2.gz PZAIUCRLUPUSPV-UHFFFAOYSA-N 0 0 198.212 2.831 10 0 AFAERN CC(=O)C1(c2ccc(Cl)cc2)CC1 11883725 166235631 /nfs/dbraw/zinc/23/56/31/166235631.db2.gz ASFHBXWIBSPACX-UHFFFAOYSA-N 0 0 194.661 2.961 10 0 AFAERN CC(=O)C(C)(C)c1cccc(C)c1 71497057 166235651 /nfs/dbraw/zinc/23/56/51/166235651.db2.gz XEAKQIOJWBAMOA-UHFFFAOYSA-N 0 0 176.259 2.862 10 0 AFAERN CC(=O)C1(c2cc(C)ccc2C)CC1 71500225 166235660 /nfs/dbraw/zinc/23/56/60/166235660.db2.gz ZXVFEWBTRVRVSV-UHFFFAOYSA-N 0 0 188.270 2.924 10 0 AFAERN CC(=O)C1(c2ccccc2F)CCC1 11885972 166235666 /nfs/dbraw/zinc/23/56/66/166235666.db2.gz BCUNPINROJTXGK-UHFFFAOYSA-N 0 0 192.233 2.836 10 0 AFAERN CC(=O)C(F)(F)c1c(C)cccc1C 216649357 166235693 /nfs/dbraw/zinc/23/56/93/166235693.db2.gz BZYDPCYUAIFJAA-UHFFFAOYSA-N 0 0 198.212 2.984 10 0 AFAERN CC(=O)C(C)(C)c1cc(F)ccc1F 71507680 166235695 /nfs/dbraw/zinc/23/56/95/166235695.db2.gz QXBGXBAHTHHQKH-UHFFFAOYSA-N 0 0 198.212 2.831 10 0 AFAERN CC(=O)C(C)(C)Cc1ccccc1 5196306 166235718 /nfs/dbraw/zinc/23/57/18/166235718.db2.gz UBNAVIPKORDBNB-UHFFFAOYSA-N 0 0 176.259 2.844 10 0 AFAERN CC(=O)C1(C)CCC(C)CC1 39070063 166235738 /nfs/dbraw/zinc/23/57/38/166235738.db2.gz WYZQFSCFZQBHMM-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)C1(c2ccc(C)cc2)CC1 71496821 166235742 /nfs/dbraw/zinc/23/57/42/166235742.db2.gz USNDIAMZJWCEJK-UHFFFAOYSA-N 0 0 174.243 2.616 10 0 AFAERN CC(=O)C1(Cc2ccccc2F)CC1 71506075 166235771 /nfs/dbraw/zinc/23/57/71/166235771.db2.gz LHIASGZZLXPCKH-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN CC(=O)C(C)(C)C(=O)c1cccs1 77296025 166235772 /nfs/dbraw/zinc/23/57/72/166235772.db2.gz ATBRNDVSTWONOF-UHFFFAOYSA-N 0 0 196.271 2.546 10 0 AFAERN CC(=O)C1(c2ccccc2C)CC1 71496817 166235775 /nfs/dbraw/zinc/23/57/75/166235775.db2.gz RBFHTSVLKHOWFC-UHFFFAOYSA-N 0 0 174.243 2.616 10 0 AFAERN CC(=O)C1(C(=O)C2CCCCC2)CC1 38804751 166235797 /nfs/dbraw/zinc/23/57/97/166235797.db2.gz BTFMJGBGELJYDV-UHFFFAOYSA-N 0 0 194.274 2.505 10 0 AFAERN CC(=O)C/C=C(/C)C(C)C 39069060 166235800 /nfs/dbraw/zinc/23/58/00/166235800.db2.gz KHDNNGOUYXXVKI-YVMONPNESA-N 0 0 140.226 2.568 10 0 AFAERN CC(=O)C1C(C)(C)CC1(C)C 17417380 166236893 /nfs/dbraw/zinc/23/68/93/166236893.db2.gz COBIQFGVKUDFNG-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)C1C[C@@H](C)C[C@@H](C)C1 59555606 166237084 /nfs/dbraw/zinc/23/70/84/166237084.db2.gz BYAGTDRBAUXTFK-JWHQNHQBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)CC(C)(C)c1ccc(O)cc1 32171588 166240253 /nfs/dbraw/zinc/24/02/53/166240253.db2.gz KJUFIUUAJYKALT-UHFFFAOYSA-N 0 0 192.258 2.649 10 0 AFAERN CC(=O)CC(C)(C)C1CCC1 18677763 166240305 /nfs/dbraw/zinc/24/03/05/166240305.db2.gz ZSNWFXNHXDJVRJ-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)CC1=C(C)CCCC1 62715709 166240623 /nfs/dbraw/zinc/24/06/23/166240623.db2.gz USOVIQAFCYXTPU-UHFFFAOYSA-N 0 0 152.237 2.856 10 0 AFAERN CC(=O)CCCc1cccs1 39234921 166241142 /nfs/dbraw/zinc/24/11/42/166241142.db2.gz NFJBNDICBIWFMP-UHFFFAOYSA-N 0 0 168.261 2.660 10 0 AFAERN CC(=O)CCCc1ccccc1C 41199542 166241152 /nfs/dbraw/zinc/24/11/52/166241152.db2.gz ANPOAGZGOXZZQV-UHFFFAOYSA-N 0 0 176.259 2.907 10 0 AFAERN CC(=O)CCCc1cccc(F)c1 70738649 166241166 /nfs/dbraw/zinc/24/11/66/166241166.db2.gz WJPIIGDRGAGWFX-UHFFFAOYSA-N 0 0 180.222 2.737 10 0 AFAERN CC(=O)CCCSC(C)(C)C 35229131 166241209 /nfs/dbraw/zinc/24/12/09/166241209.db2.gz ZEMZKEZHBLZTMN-UHFFFAOYSA-N 0 0 174.309 2.887 10 0 AFAERN CC(=O)CCO[C@@H](C)c1ccccc1 38301826 166241501 /nfs/dbraw/zinc/24/15/01/166241501.db2.gz IZNRHBLYQYBFJL-NSHDSACASA-N 0 0 192.258 2.743 10 0 AFAERN CC(=O)CC[C@@]1(C)CCC[C@@H](C)C1=O 38866462 166241542 /nfs/dbraw/zinc/24/15/42/166241542.db2.gz GYZPXJLBSDPMEF-BXKDBHETSA-N 0 0 196.290 2.751 10 0 AFAERN CC(=O)CC[C@]12O[C@@]1(C)CCC2(C)C 39112551 166241556 /nfs/dbraw/zinc/24/15/56/166241556.db2.gz BFZKUEKXBDCNMD-NWDGAFQWSA-N 0 0 196.290 2.703 10 0 AFAERN CC(=O)CC[C@H]1CC(=O)CC(C)(C)C1 104843512 166241561 /nfs/dbraw/zinc/24/15/61/166241561.db2.gz QXVWORRBFARWGE-JTQLQIEISA-N 0 0 196.290 2.751 10 0 AFAERN CC(=O)CCOc1ccccc1Cl 32009682 166241592 /nfs/dbraw/zinc/24/15/92/166241592.db2.gz VEFJBPCPYBLKIE-UHFFFAOYSA-N 0 0 198.649 2.698 10 0 AFAERN CC(=O)CC[C@@H]1CC(=O)CC(C)(C)C1 104843509 166241602 /nfs/dbraw/zinc/24/16/02/166241602.db2.gz QXVWORRBFARWGE-SNVBAGLBSA-N 0 0 196.290 2.751 10 0 AFAERN CC(=O)CCOC[C@@H]1CC=CC[C@@H]1C 50160500 166241707 /nfs/dbraw/zinc/24/17/07/166241707.db2.gz HKGFKFSDRHANQN-JQWIXIFHSA-N 0 0 196.290 2.584 10 0 AFAERN CC(=O)CCOc1ccc(C)c(C)c1 20439987 166241748 /nfs/dbraw/zinc/24/17/48/166241748.db2.gz GPYLGVQWZIQBQG-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN CC(=O)CCCc1ccc(F)cc1 41201197 166241848 /nfs/dbraw/zinc/24/18/48/166241848.db2.gz FFTBNDONHJKBQS-UHFFFAOYSA-N 0 0 180.222 2.737 10 0 AFAERN CC(=O)CCOc1cccc(Cl)c1 32009683 166241896 /nfs/dbraw/zinc/24/18/96/166241896.db2.gz NBJOQEARSDFIPO-UHFFFAOYSA-N 0 0 198.649 2.698 10 0 AFAERN CC(=O)CCOc1cc(C)ccc1C 20439983 166241929 /nfs/dbraw/zinc/24/19/29/166241929.db2.gz DHHPDTSTXNHOCH-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN CC(=O)CC[C@]1(C)CCCCC1=O 21988039 166241940 /nfs/dbraw/zinc/24/19/40/166241940.db2.gz GDDZYAPRXGBEDK-NSHDSACASA-N 0 0 182.263 2.505 10 0 AFAERN CC(=O)CCCSCC(C)C 35229284 166241968 /nfs/dbraw/zinc/24/19/68/166241968.db2.gz REMKOJULGDNAQE-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CC(=O)CC[C@]1(C)CCC[C@H](C)C1=O 104840714 166242040 /nfs/dbraw/zinc/24/20/40/166242040.db2.gz GYZPXJLBSDPMEF-CABZTGNLSA-N 0 0 196.290 2.751 10 0 AFAERN CC(=O)CCCc1ccccc1F 41201194 166242068 /nfs/dbraw/zinc/24/20/68/166242068.db2.gz RDWPMEJLLXBNTD-UHFFFAOYSA-N 0 0 180.222 2.737 10 0 AFAERN CC(=O)CCCc1ccc(C)cc1 34115635 166242072 /nfs/dbraw/zinc/24/20/72/166242072.db2.gz WWJAYKIWBLNTKT-UHFFFAOYSA-N 0 0 176.259 2.907 10 0 AFAERN CC(=O)CC[C@H](C)C(C)C 39069163 166242077 /nfs/dbraw/zinc/24/20/77/166242077.db2.gz WQCPCHUHFFYMFU-QMMMGPOBSA-N 0 0 142.242 2.648 10 0 AFAERN CC(=O)CCOC[C@H]1CC=CC[C@H]1C 50160497 166242121 /nfs/dbraw/zinc/24/21/21/166242121.db2.gz HKGFKFSDRHANQN-ZYHUDNBSSA-N 0 0 196.290 2.584 10 0 AFAERN CC(=O)CC[C@]1(C)CCC[C@@H](C)C1=O 104840711 166242169 /nfs/dbraw/zinc/24/21/69/166242169.db2.gz GYZPXJLBSDPMEF-SKDRFNHKSA-N 0 0 196.290 2.751 10 0 AFAERN CC(=O)CC[C@@]1(C)CCC[C@H](C)C1=O 104840717 166242176 /nfs/dbraw/zinc/24/21/76/166242176.db2.gz GYZPXJLBSDPMEF-JOYOIKCWSA-N 0 0 196.290 2.751 10 0 AFAERN CC(=O)CCCc1cccc(C)c1 38416118 166242205 /nfs/dbraw/zinc/24/22/05/166242205.db2.gz ROQYQFZCEOJUIW-UHFFFAOYSA-N 0 0 176.259 2.907 10 0 AFAERN CC(=O)CCCSCc1ccco1 34165533 166242229 /nfs/dbraw/zinc/24/22/29/166242229.db2.gz VXWAPDWXURUMTC-UHFFFAOYSA-N 0 0 198.287 2.882 10 0 AFAERN CC(=O)CCOc1cc(C)cc(C)c1 20439992 166242255 /nfs/dbraw/zinc/24/22/55/166242255.db2.gz PZISJEJZEVENKL-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN Cc1cccc(NC2CC=CC2)n1 133327375 343916367 /nfs/dbraw/zinc/91/63/67/343916367.db2.gz AQPSJUGITQEJPT-UHFFFAOYSA-N 0 0 174.247 2.521 10 0 AFAERN CC(=O)CCOc1ccc(Cl)cc1 32009685 166242419 /nfs/dbraw/zinc/24/24/19/166242419.db2.gz DSFXJBXTXFSSAV-UHFFFAOYSA-N 0 0 198.649 2.698 10 0 AFAERN CC(=O)CC[C@@]1(C)CCCCC1=O 21988037 166242426 /nfs/dbraw/zinc/24/24/26/166242426.db2.gz GDDZYAPRXGBEDK-LLVKDONJSA-N 0 0 182.263 2.505 10 0 AFAERN CC(=O)CCOC[C@H]1CC=CC[C@@H]1C 50160498 166242463 /nfs/dbraw/zinc/24/24/63/166242463.db2.gz HKGFKFSDRHANQN-CMPLNLGQSA-N 0 0 196.290 2.584 10 0 AFAERN CC(=O)CCOc1c(C)cccc1C 32008554 166242520 /nfs/dbraw/zinc/24/25/20/166242520.db2.gz DGMUWARJATYMMY-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN CC(=O)CCOC[C@@H]1CC=CC[C@H]1C 50160499 166242533 /nfs/dbraw/zinc/24/25/33/166242533.db2.gz HKGFKFSDRHANQN-PWSUYJOCSA-N 0 0 196.290 2.584 10 0 AFAERN CC(=O)CC[C@@]12O[C@]1(C)CCC2(C)C 39112552 166242554 /nfs/dbraw/zinc/24/25/54/166242554.db2.gz BFZKUEKXBDCNMD-NEPJUHHUSA-N 0 0 196.290 2.703 10 0 AFAERN CC(=O)CCSc1cccs1 37315319 166242627 /nfs/dbraw/zinc/24/26/27/166242627.db2.gz KHMNRQAWPIDFNF-UHFFFAOYSA-N 0 0 186.301 2.819 10 0 AFAERN CC(=O)CCOCC1CCCCC1 52155029 166242707 /nfs/dbraw/zinc/24/27/07/166242707.db2.gz BPGPJAZENPJCEY-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CC(=O)CCc1cccc2[nH]ccc12 82391742 166243412 /nfs/dbraw/zinc/24/34/12/166243412.db2.gz ZOPBPIZFFLJOAR-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN CC(=O)CCc1cccc(C)c1C 70738763 166243699 /nfs/dbraw/zinc/24/36/99/166243699.db2.gz KXBSWEZJRRWDPK-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN CC(=O)CCn1ccc2ccccc21 70162266 166243729 /nfs/dbraw/zinc/24/37/29/166243729.db2.gz WBWJRYLBGSVTTH-UHFFFAOYSA-N 0 0 187.242 2.620 10 0 AFAERN CC(=O)CO[C@@H]1C[C@@H](C)CC(C)(C)C1 37348582 166244071 /nfs/dbraw/zinc/24/40/71/166244071.db2.gz VDOUDBACCDZOGV-MWLCHTKSSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)CCc1cc(C)cc(C)c1 38076935 166244246 /nfs/dbraw/zinc/24/42/46/166244246.db2.gz MOPZWSUIDMTVJQ-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN CC(=O)CCc1ccc(C)c(C)c1 11631236 166244297 /nfs/dbraw/zinc/24/42/97/166244297.db2.gz GPSPVUZFEGRSEV-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN CC(=O)CCc1c(C)cccc1C 74307874 166244330 /nfs/dbraw/zinc/24/43/30/166244330.db2.gz QZDBKSCHXHWOMD-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN CC(=O)CCc1ccccc1C 37479114 166244357 /nfs/dbraw/zinc/24/43/57/166244357.db2.gz MBYZVRLALPKNQV-UHFFFAOYSA-N 0 0 162.232 2.517 10 0 AFAERN CC(=O)CCc1ccc(F)c(C)c1 11631239 166244394 /nfs/dbraw/zinc/24/43/94/166244394.db2.gz QQKIDHLQIMAMHW-UHFFFAOYSA-N 0 0 180.222 2.656 10 0 AFAERN CC(=O)CCc1cc(C)ccc1C 11631237 166244681 /nfs/dbraw/zinc/24/46/81/166244681.db2.gz UMHKQXYTPPVLTR-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN CC(=O)CCc1ccc(C)cc1C 58518995 166245094 /nfs/dbraw/zinc/24/50/94/166245094.db2.gz CRTAWUUYVWYERJ-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN CC(=O)CCc1ccc(O)c(Cl)c1 62153316 166245121 /nfs/dbraw/zinc/24/51/21/166245121.db2.gz YTUGWCNLGZNXDA-UHFFFAOYSA-N 0 0 198.649 2.567 10 0 AFAERN CC(=O)CO[C@@H]1C[C@H](C)CC(C)(C)C1 37348584 166245234 /nfs/dbraw/zinc/24/52/34/166245234.db2.gz VDOUDBACCDZOGV-GXSJLCMTSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)CCc1cc2ccccc2o1 34159988 166245504 /nfs/dbraw/zinc/24/55/04/166245504.db2.gz IWDRKHYEKJWUDI-UHFFFAOYSA-N 0 0 188.226 2.954 10 0 AFAERN CC(=O)COc1cccc(C(C)C)c1 35182024 166245779 /nfs/dbraw/zinc/24/57/79/166245779.db2.gz KVEGMMGROBHAMU-UHFFFAOYSA-N 0 0 192.258 2.778 10 0 AFAERN CC(=O)COc1cc(C)ccc1Cl 47819817 166245781 /nfs/dbraw/zinc/24/57/81/166245781.db2.gz HIKIUSDWZGJPFP-UHFFFAOYSA-N 0 0 198.649 2.616 10 0 AFAERN CC(=O)COc1ccc(C)c(Cl)c1 335231905 166245793 /nfs/dbraw/zinc/24/57/93/166245793.db2.gz AQJATVLXLPTDAR-UHFFFAOYSA-N 0 0 198.649 2.616 10 0 AFAERN CC(=O)CO[C@H]1C[C@H](C)CC(C)(C)C1 37348580 166245841 /nfs/dbraw/zinc/24/58/41/166245841.db2.gz VDOUDBACCDZOGV-ONGXEEELSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)COc1ccccc1C(C)C 35184642 166245860 /nfs/dbraw/zinc/24/58/60/166245860.db2.gz VOVBRCDFBSBESS-UHFFFAOYSA-N 0 0 192.258 2.778 10 0 AFAERN CC(=O)COc1ccc(Cl)cc1C 15016917 166245875 /nfs/dbraw/zinc/24/58/75/166245875.db2.gz VTEMWEPAEPCECX-UHFFFAOYSA-N 0 0 198.649 2.616 10 0 AFAERN CC(=O)CO[C@H]1C[C@@H](C)CC(C)(C)C1 37348578 166245915 /nfs/dbraw/zinc/24/59/15/166245915.db2.gz VDOUDBACCDZOGV-KOLCDFICSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)COc1c(C)ccc(C)c1C 35224903 166245958 /nfs/dbraw/zinc/24/59/58/166245958.db2.gz MXWDXGWSXGXTOF-UHFFFAOYSA-N 0 0 192.258 2.580 10 0 AFAERN CC(=O)COc1cc(C)cc(C)c1C 36324610 166246058 /nfs/dbraw/zinc/24/60/58/166246058.db2.gz LYHXTRGFLXGDBM-UHFFFAOYSA-N 0 0 192.258 2.580 10 0 AFAERN CC(=O)Cc1c[nH]c2ccc(C)cc12 20269413 166246622 /nfs/dbraw/zinc/24/66/22/166246622.db2.gz NABSNMMKSSNXOG-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC(=O)Cc1c[nH]c2cccc(C)c12 20269412 166246697 /nfs/dbraw/zinc/24/66/97/166246697.db2.gz NOFFVBLLCAXGAT-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC(=O)Cc1cc(C)c(C)cc1C 2579043 166246701 /nfs/dbraw/zinc/24/67/01/166246701.db2.gz RKULWTODEPNJTK-UHFFFAOYSA-N 0 0 176.259 2.743 10 0 AFAERN CC(=O)Cc1ccc(F)c(Cl)c1 43502043 166246712 /nfs/dbraw/zinc/24/67/12/166246712.db2.gz POBCKMYLQOVXRM-UHFFFAOYSA-N 0 0 186.613 2.611 10 0 AFAERN CC(=O)Cc1cc(C)n(C(C)C)c1C 82588732 166246731 /nfs/dbraw/zinc/24/67/31/166246731.db2.gz CLAATMDSWGUDTM-UHFFFAOYSA-N 0 0 193.290 2.817 10 0 AFAERN CC(=O)Cc1cc(F)cc(Cl)c1 43502045 166246897 /nfs/dbraw/zinc/24/68/97/166246897.db2.gz LJXLOVAOPPCEFB-UHFFFAOYSA-N 0 0 186.613 2.611 10 0 AFAERN CC(=O)Cc1c(C)[nH]c2ccccc12 82588131 166247437 /nfs/dbraw/zinc/24/74/37/166247437.db2.gz RLNKQRKEZNQJLK-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC(=O)Cc1c(C)cc(C)cc1C 2386132 166247523 /nfs/dbraw/zinc/24/75/23/166247523.db2.gz MBIXGEBUUSDULP-UHFFFAOYSA-N 0 0 176.259 2.743 10 0 AFAERN CC(=O)Cc1cc2ccccc2o1 82868178 166247972 /nfs/dbraw/zinc/24/79/72/166247972.db2.gz IQJDUGGHJYAOTJ-UHFFFAOYSA-N 0 0 174.199 2.564 10 0 AFAERN CC(=O)Cc1c[nH]c2c(C)cccc12 20269415 166248065 /nfs/dbraw/zinc/24/80/65/166248065.db2.gz JUIQZJAYUCVDTM-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC(=O)C[C@H]1CCCCCCC1=O 34329798 166248224 /nfs/dbraw/zinc/24/82/24/166248224.db2.gz REGAJTKYVCJGQB-SNVBAGLBSA-N 0 0 182.263 2.505 10 0 AFAERN CC(=O)Cc1cc(C)n(C2CC2)c1C 82588493 166248262 /nfs/dbraw/zinc/24/82/62/166248262.db2.gz BFBCZERCUPZGSH-UHFFFAOYSA-N 0 0 191.274 2.571 10 0 AFAERN CC(=O)Cc1ccc2ccccc2c1 19844371 166248284 /nfs/dbraw/zinc/24/82/84/166248284.db2.gz OKQHKXIGCVUSRM-UHFFFAOYSA-N 0 0 184.238 2.971 10 0 AFAERN CC(=O)Cc1cc(F)ccc1Cl 43502039 166248294 /nfs/dbraw/zinc/24/82/94/166248294.db2.gz CJPSJVYKVKDSFE-UHFFFAOYSA-N 0 0 186.613 2.611 10 0 AFAERN CC(=O)Cc1c[nH]c2cc(C)ccc12 20269414 166248346 /nfs/dbraw/zinc/24/83/46/166248346.db2.gz CKSXAMNTZIRDOD-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC(=O)Cc1ccc(C)c(Cl)c1 43501980 166248481 /nfs/dbraw/zinc/24/84/81/166248481.db2.gz DZSTYGXRCZESLS-UHFFFAOYSA-N 0 0 182.650 2.780 10 0 AFAERN CC(=O)Cc1csc(Cl)c1 83272292 166249066 /nfs/dbraw/zinc/24/90/66/166249066.db2.gz FZRXPFBOEHLEDB-UHFFFAOYSA-N 0 0 174.652 2.533 10 0 AFAERN CC(=O)Cc1sccc1Cl 83272293 166249073 /nfs/dbraw/zinc/24/90/73/166249073.db2.gz HVMVYMZYAGHAOI-UHFFFAOYSA-N 0 0 174.652 2.533 10 0 AFAERN CC(=O)Cn1c(C)cc2ccccc21 50129607 166249095 /nfs/dbraw/zinc/24/90/95/166249095.db2.gz OYRCMYARWFYUKL-UHFFFAOYSA-N 0 0 187.242 2.539 10 0 AFAERN CC(=O)Cc1cccc2ccoc12 82868188 166249227 /nfs/dbraw/zinc/24/92/27/166249227.db2.gz HEJZOJQMQBQWOU-UHFFFAOYSA-N 0 0 174.199 2.564 10 0 in-vitro AFAERN CC(=O)Cn1ccc2c(C)cccc21 50130105 166249399 /nfs/dbraw/zinc/24/93/99/166249399.db2.gz ZZYFPDLSZGXLCK-UHFFFAOYSA-N 0 0 187.242 2.539 10 0 AFAERN CC(=O)Cn1ccc2ccc(C)cc21 50130059 166249460 /nfs/dbraw/zinc/24/94/60/166249460.db2.gz SGCSWOGVWXQJMQ-UHFFFAOYSA-N 0 0 187.242 2.539 10 0 AFAERN CC(=O)Cc1cccc2ccccc12 1601985 166249852 /nfs/dbraw/zinc/24/98/52/166249852.db2.gz FGMOPLPOIRMOJW-UHFFFAOYSA-N 0 0 184.238 2.971 10 0 in-vitro AFAERN CC(=O)Cc1cccc2occc12 82868190 166250034 /nfs/dbraw/zinc/25/00/34/166250034.db2.gz QOASYUORERLZBU-UHFFFAOYSA-N 0 0 174.199 2.564 10 0 AFAERN CC(=O)Cc1ccc2occc2c1 82868189 166250277 /nfs/dbraw/zinc/25/02/77/166250277.db2.gz NKGQJFUMMXXUQW-UHFFFAOYSA-N 0 0 174.199 2.564 10 0 AFAERN CC(=O)Cc1ccccc1C(C)C 38337765 166250343 /nfs/dbraw/zinc/25/03/43/166250343.db2.gz LCPZJVWQCUVMKF-UHFFFAOYSA-N 0 0 176.259 2.942 10 0 AFAERN CC(=O)Cn1cc(C)c2ccccc21 50130422 166250435 /nfs/dbraw/zinc/25/04/35/166250435.db2.gz YJPGRBQWAAKDRD-UHFFFAOYSA-N 0 0 187.242 2.539 10 0 AFAERN CC(=O)N(C1=CC=CC1)C1=CC=CC1 39126013 166253189 /nfs/dbraw/zinc/25/31/89/166253189.db2.gz PWOLKFZLTOSTBD-UHFFFAOYSA-N 0 0 187.242 2.523 10 0 AFAERN CC(=O)N(c1cccc(C)c1)C(C)C 335925906 166255643 /nfs/dbraw/zinc/25/56/43/166255643.db2.gz MFQJOMZSOQRMKJ-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CC(=O)N1CCCC[C@H]1C1CCCC1 39112493 166258165 /nfs/dbraw/zinc/25/81/65/166258165.db2.gz KIEPQLZNUHLTQL-LBPRGKRZSA-N 0 0 195.306 2.578 10 0 AFAERN CC(=O)N1CCCC[C@@H]1C1CCCC1 39112492 166258491 /nfs/dbraw/zinc/25/84/91/166258491.db2.gz KIEPQLZNUHLTQL-GFCCVEGCSA-N 0 0 195.306 2.578 10 0 AFAERN CC(=O)N1c2ccccc2[C@@H](C)[C@@H]1C 36387581 166268061 /nfs/dbraw/zinc/26/80/61/166268061.db2.gz BOWUEFKWRRCZBS-IUCAKERBSA-N 0 0 189.258 2.545 10 0 AFAERN CC(=O)NC(C)(C)C1CCC(C)CC1 500424 166268244 /nfs/dbraw/zinc/26/82/44/166268244.db2.gz MDGYIWOSJQTJJU-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC(=O)N1c2ccccc2[C@H](C)[C@H]1C 36387582 166268818 /nfs/dbraw/zinc/26/88/18/166268818.db2.gz BOWUEFKWRRCZBS-RKDXNWHRSA-N 0 0 189.258 2.545 10 0 AFAERN CC(=O)NC(=C(C)C)c1ccccc1 173616 166268821 /nfs/dbraw/zinc/26/88/21/166268821.db2.gz LXLYLKODCRUNIR-UHFFFAOYSA-N 0 0 189.258 2.574 10 0 AFAERN CC(=O)NC1CCC(CC(C)C)CC1 198490055 166269354 /nfs/dbraw/zinc/26/93/54/166269354.db2.gz SKIRKEBDRRGASC-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC(=O)NCC(C)(C)C1=CCCCC1 336076211 166271124 /nfs/dbraw/zinc/27/11/24/166271124.db2.gz JBOBEWOMKOWHBZ-UHFFFAOYSA-N 0 0 195.306 2.649 10 0 AFAERN CC(=O)Nc1ccc(F)c(C2CC2)c1 336497203 166284408 /nfs/dbraw/zinc/28/44/08/166284408.db2.gz UZTCVNGXXRQWPX-UHFFFAOYSA-N 0 0 193.221 2.662 10 0 AFAERN CC(=O)Nc1ccc(CC(C)C)cc1 39278676 166284578 /nfs/dbraw/zinc/28/45/78/166284578.db2.gz NWZUSUQDDYIIBM-UHFFFAOYSA-N 0 0 191.274 2.844 10 0 AFAERN CC(=O)O/C=C(/C)c1ccccc1 5132243 166287674 /nfs/dbraw/zinc/28/76/74/166287674.db2.gz CLCGEEANBAUENX-HJWRWDBZSA-N 0 0 176.215 2.611 10 0 AFAERN CC(=O)OC[C@H](C)[C@@H]1CC=C(C)CC1 14588971 166288140 /nfs/dbraw/zinc/28/81/40/166288140.db2.gz QUHIXSUMNSRNNP-CMPLNLGQSA-N 0 0 196.290 2.932 10 0 endogenous,in-man AFAERN CC(=O)OC[C@@H](C)[C@@H]1CC=C(C)CC1 14588972 166288447 /nfs/dbraw/zinc/28/84/47/166288447.db2.gz QUHIXSUMNSRNNP-ZYHUDNBSSA-N 0 0 196.290 2.932 10 0 endogenous,in-man AFAERN CC(=O)OCc1ccc(C)cc1Cl 88314989 166288793 /nfs/dbraw/zinc/28/87/93/166288793.db2.gz GWAFOHDRAYRWLW-UHFFFAOYSA-N 0 0 198.649 2.712 10 0 AFAERN CC(=O)OC[C@H](C)[C@H]1CC=C(C)CC1 14588969 166288914 /nfs/dbraw/zinc/28/89/14/166288914.db2.gz QUHIXSUMNSRNNP-JQWIXIFHSA-N 0 0 196.290 2.932 10 0 endogenous,in-man AFAERN CC(=O)OC[C@@H](C)[C@H]1CC=C(C)CC1 14588970 166289186 /nfs/dbraw/zinc/28/91/86/166289186.db2.gz QUHIXSUMNSRNNP-PWSUYJOCSA-N 0 0 196.290 2.932 10 0 endogenous,in-man AFAERN CC(=O)OC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C 5166162 166289359 /nfs/dbraw/zinc/28/93/59/166289359.db2.gz UWHRPSXEBAXLDR-DCAQKATOSA-N 0 0 196.290 2.622 10 0 AFAERN CC(=O)O[C@@H]1CCC[C@H]1C1CCCC1 39112537 166290075 /nfs/dbraw/zinc/29/00/75/166290075.db2.gz HKSQPMQIIVMTRG-NWDGAFQWSA-N 0 0 196.290 2.908 10 0 AFAERN CC(=O)O[C@@H]1C=C(C)[C@@H]2C[C@H]1C2(C)C 5767636 166290174 /nfs/dbraw/zinc/29/01/74/166290174.db2.gz OZBFUQLOVFXDNK-HBNTYKKESA-N 0 0 194.274 2.540 10 0 AFAERN CC(=O)O[C@@H]1CCC[C@@H]1C1CCCC1 39112535 166290403 /nfs/dbraw/zinc/29/04/03/166290403.db2.gz HKSQPMQIIVMTRG-VXGBXAGGSA-N 0 0 196.290 2.908 10 0 AFAERN CC(=O)O[C@@H]1CCCc2ccccc21 32167254 166290979 /nfs/dbraw/zinc/29/09/79/166290979.db2.gz XAEPSGWPSVIKND-GFCCVEGCSA-N 0 0 190.242 2.627 10 0 AFAERN CC(=O)O[C@H](C)CCCC(C)C 1843705 166291553 /nfs/dbraw/zinc/29/15/53/166291553.db2.gz JNRDWRMJYGDQQE-SECBINFHSA-N 0 0 172.268 2.764 10 0 endogenous,in-man AFAERN CC(=O)O[C@@H](C)CCCC(C)C 1843706 166291572 /nfs/dbraw/zinc/29/15/72/166291572.db2.gz JNRDWRMJYGDQQE-VIFPVBQESA-N 0 0 172.268 2.764 10 0 endogenous,in-man AFAERN CC(=O)O[C@@H]1C[C@H]2C[C@]1(C)CC2(C)C 44709744 166291602 /nfs/dbraw/zinc/29/16/02/166291602.db2.gz LHDGZUJXYWVZNA-HOSYDEDBSA-N 0 0 196.290 2.764 10 0 AFAERN CC(=O)O[C@H]1C[C@H]2C[C@]1(C)CC2(C)C 44709745 166292179 /nfs/dbraw/zinc/29/21/79/166292179.db2.gz LHDGZUJXYWVZNA-JBLDHEPKSA-N 0 0 196.290 2.764 10 0 AFAERN CC(=O)O[C@H]1C=C(C)[C@@H]2C[C@H]1C2(C)C 5767405 166292652 /nfs/dbraw/zinc/29/26/52/166292652.db2.gz OZBFUQLOVFXDNK-AXFHLTTASA-N 0 0 194.274 2.540 10 0 AFAERN CC(=O)O[C@H]1CCC[C@H]1C1CCCC1 39112538 166293485 /nfs/dbraw/zinc/29/34/85/166293485.db2.gz HKSQPMQIIVMTRG-RYUDHWBXSA-N 0 0 196.290 2.908 10 0 AFAERN CC(=O)O[C@H](C)c1ccc(C)cc1 5832751 166293589 /nfs/dbraw/zinc/29/35/89/166293589.db2.gz HOKHCDLSYKTSOU-SECBINFHSA-N 0 0 178.231 2.619 10 0 AFAERN CC(=O)O[C@H]1CCCc2ccccc21 32167257 166293746 /nfs/dbraw/zinc/29/37/46/166293746.db2.gz XAEPSGWPSVIKND-LBPRGKRZSA-N 0 0 190.242 2.627 10 0 AFAERN CC(=O)O[C@H]1CCC[C@@H]1C1CCCC1 39112536 166293969 /nfs/dbraw/zinc/29/39/69/166293969.db2.gz HKSQPMQIIVMTRG-NEPJUHHUSA-N 0 0 196.290 2.908 10 0 AFAERN CC(=O)Oc1ccc2cc(C)oc2c1 71261202 166294613 /nfs/dbraw/zinc/29/46/13/166294613.db2.gz JSMBJYBJBSYGIN-UHFFFAOYSA-N 0 0 190.198 2.667 10 0 AFAERN CC(=O)Sc1ccc(C(C)=O)cc1 3130063 166294926 /nfs/dbraw/zinc/29/49/26/166294926.db2.gz MAEWWWATFUBMRN-UHFFFAOYSA-N 0 0 194.255 2.528 10 0 AFAERN CC(=O)[C@@H](C)CCC(C)C 37947246 166295031 /nfs/dbraw/zinc/29/50/31/166295031.db2.gz HOLXQPDPTQSXMM-QMMMGPOBSA-N 0 0 142.242 2.648 10 0 AFAERN CC(=O)[C@@H](C)CC1CCCC1 42375092 166295144 /nfs/dbraw/zinc/29/51/44/166295144.db2.gz NFWXPOMXOKYZAC-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)Sc1cc(C)oc1C 6069856 166295949 /nfs/dbraw/zinc/29/59/49/166295949.db2.gz LULNJORVPBVGRB-UHFFFAOYSA-N 0 0 170.233 2.535 10 0 endogenous,in-man AFAERN CC(=O)Oc1ccccc1C(C)(C)C 40889471 166296326 /nfs/dbraw/zinc/29/63/26/166296326.db2.gz QUZNDYXTWNKBJY-UHFFFAOYSA-N 0 0 192.258 2.909 10 0 AFAERN CC(=O)Sc1ccccc1C 1621640 166296417 /nfs/dbraw/zinc/29/64/17/166296417.db2.gz NGPKWOGMRQWAKJ-UHFFFAOYSA-N 0 0 166.245 2.634 10 0 AFAERN CC(=O)[C@@H](C)CC=C(C)C 6020449 166296502 /nfs/dbraw/zinc/29/65/02/166296502.db2.gz GFFWTYGLHZTFHM-QMMMGPOBSA-N 0 0 140.226 2.568 10 0 AFAERN CC(=O)Oc1cccc(C(C)C)c1 32145274 166296840 /nfs/dbraw/zinc/29/68/40/166296840.db2.gz FZYWCPJQIBXOOC-UHFFFAOYSA-N 0 0 178.231 2.735 10 0 AFAERN CC(=O)[C@@H](C)Cc1ccc(F)c(C)c1 82530799 166297317 /nfs/dbraw/zinc/29/73/17/166297317.db2.gz UPHRBJVXBZMGDY-QMMMGPOBSA-N 0 0 194.249 2.902 10 0 AFAERN CC(=O)[C@@H](C)Cc1ccsc1 37947320 166297892 /nfs/dbraw/zinc/29/78/92/166297892.db2.gz ZRLFKBQUTAQMDF-ZETCQYMHSA-N 0 0 168.261 2.516 10 0 AFAERN CC(=O)[C@@H](C)Sc1ccoc1C 39365143 166297921 /nfs/dbraw/zinc/29/79/21/166297921.db2.gz AOEYNSLUBHRZPA-MRVPVSSYSA-N 0 0 184.260 2.658 10 0 endogenous,in-man AFAERN CC(=O)[C@@H](C)Cc1cc(F)ccc1F 43458964 166297960 /nfs/dbraw/zinc/29/79/60/166297960.db2.gz QFSIDSPFXHDCDH-ZETCQYMHSA-N 0 0 198.212 2.732 10 0 AFAERN CC(=O)[C@@H](C)Cc1ccc(F)cc1 37947300 166298161 /nfs/dbraw/zinc/29/81/61/166298161.db2.gz KRVCZEQMZGAPIV-QMMMGPOBSA-N 0 0 180.222 2.593 10 0 AFAERN CC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 35182334 166298282 /nfs/dbraw/zinc/29/82/82/166298282.db2.gz MFUWRZJXYIJSRV-LLVKDONJSA-N 0 0 192.258 2.660 10 0 AFAERN CC(=O)[C@@H](C)Sc1cccs1 37353067 166298316 /nfs/dbraw/zinc/29/83/16/166298316.db2.gz QBXLTLWFTGBDNJ-SSDOTTSWSA-N 0 0 186.301 2.818 10 0 AFAERN CC(=O)[C@@H](C)Cc1cccs1 37947268 166298350 /nfs/dbraw/zinc/29/83/50/166298350.db2.gz HXHKEKHIUGGSQU-ZETCQYMHSA-N 0 0 168.261 2.516 10 0 AFAERN CC(=O)[C@@H](C)Oc1cc(C)ccc1C 35182278 166298410 /nfs/dbraw/zinc/29/84/10/166298410.db2.gz IRFZRSYVQSVNFP-LLVKDONJSA-N 0 0 192.258 2.660 10 0 AFAERN CC(=O)[C@@H](C)Oc1cccc(C)c1C 35184352 166298581 /nfs/dbraw/zinc/29/85/81/166298581.db2.gz PBXXYBYVYMBRFW-LLVKDONJSA-N 0 0 192.258 2.660 10 0 AFAERN CC(=O)[C@@H](C)CCOc1ccccc1 43458339 166298643 /nfs/dbraw/zinc/29/86/43/166298643.db2.gz VKJZFBRURAFJNE-JTQLQIEISA-N 0 0 192.258 2.681 10 0 AFAERN CC(=O)[C@@H](C)Cc1ccc(F)c(F)c1 82531166 166298713 /nfs/dbraw/zinc/29/87/13/166298713.db2.gz RARQAWMNRKZDHP-ZETCQYMHSA-N 0 0 198.212 2.732 10 0 AFAERN CC(=O)[C@@H](C)OCC1CCCCC1 52154983 166298763 /nfs/dbraw/zinc/29/87/63/166298763.db2.gz XISZAGNNDYBCEG-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)[C@@H](C)Cc1ccc(C)cc1 37947299 166298806 /nfs/dbraw/zinc/29/88/06/166298806.db2.gz OFGOKCJCACKAAT-JTQLQIEISA-N 0 0 176.259 2.763 10 0 AFAERN CC(=O)[C@@H](C)Cc1ccccc1C 37947305 166298832 /nfs/dbraw/zinc/29/88/32/166298832.db2.gz CMUYXLYESOVYAL-JTQLQIEISA-N 0 0 176.259 2.763 10 0 AFAERN CC(=O)[C@@H](C)Cc1cccc(F)c1F 37947322 166299098 /nfs/dbraw/zinc/29/90/98/166299098.db2.gz NYQRRLMSSUTUFM-ZETCQYMHSA-N 0 0 198.212 2.732 10 0 AFAERN CC(=O)[C@@H](C)Cc1cccc(F)c1 37947296 166299303 /nfs/dbraw/zinc/29/93/03/166299303.db2.gz SEAHDZPWBVJCSR-QMMMGPOBSA-N 0 0 180.222 2.593 10 0 AFAERN CC(=O)[C@@H](C)Cc1ccccc1F 37947253 166299584 /nfs/dbraw/zinc/29/95/84/166299584.db2.gz DFYMLGPQEDYGSW-QMMMGPOBSA-N 0 0 180.222 2.593 10 0 AFAERN CC(=O)[C@@H](C)Oc1ccc(C)cc1C 35181824 166299587 /nfs/dbraw/zinc/29/95/87/166299587.db2.gz FZGAIFWDEAKLTO-LLVKDONJSA-N 0 0 192.258 2.660 10 0 AFAERN CC(=O)[C@@H](C)Cc1cccc(C)c1 37947303 166299815 /nfs/dbraw/zinc/29/98/15/166299815.db2.gz BERBTJKDGIXYNZ-JTQLQIEISA-N 0 0 176.259 2.763 10 0 AFAERN CC(=O)[C@@H](C)c1ccc(C)cc1 39278758 166299847 /nfs/dbraw/zinc/29/98/47/166299847.db2.gz LVHKNIUWZMJFCW-SECBINFHSA-N 0 0 162.232 2.688 10 0 AFAERN CC(=O)[C@@H]1CCC(C)=C[C@@H]1C 39069834 166300268 /nfs/dbraw/zinc/30/02/68/166300268.db2.gz LXWLBFXNZBZRMK-WCBMZHEXSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@@H]1CCCc2ccccc21 39223152 166300304 /nfs/dbraw/zinc/30/03/04/166300304.db2.gz GQABVRJAGAAIPJ-NSHDSACASA-N 0 0 174.243 2.696 10 0 AFAERN CC(=O)[C@@H]1CCCCC1(C)C 32215973 166300530 /nfs/dbraw/zinc/30/05/30/166300530.db2.gz VXHOFFZAGUMFCK-VIFPVBQESA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)[C@@H]1CC[C@@]12[C@@H](C)C2(C)C 256315344 166300586 /nfs/dbraw/zinc/30/05/86/166300586.db2.gz RHAJEHXGSXLFCD-ATZCPNFKSA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1cc(C)ccc1C 49669992 166300604 /nfs/dbraw/zinc/30/06/04/166300604.db2.gz XJMYRBMAXZYKIL-QWHCGFSZSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@@H]1CCC(C)=CC1(C)C 33604991 166300663 /nfs/dbraw/zinc/30/06/63/166300663.db2.gz APIYGDOSJKQKKZ-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1cc(C)cc(C)c1 43392868 166300833 /nfs/dbraw/zinc/30/08/33/166300833.db2.gz MAXFDVYOPDKYSH-QWHCGFSZSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@@H]1C(C)=C1C(C)(C)C 39069901 166300958 /nfs/dbraw/zinc/30/09/58/166300958.db2.gz RUHAATKCKWUNIX-QMMMGPOBSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@@H]1CC=C(C)C[C@H]1C 39069866 166301071 /nfs/dbraw/zinc/30/10/71/166301071.db2.gz NSSYDXAUQCDKLI-PSASIEDQSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@@H]1CCC(C)=C[C@H]1C 39069880 166301207 /nfs/dbraw/zinc/30/12/07/166301207.db2.gz LXWLBFXNZBZRMK-PSASIEDQSA-N 0 0 152.237 2.568 10 0 biogenic,in-vitro AFAERN CC(=O)[C@@H]1CC(C)=C[C@@H](C)C1 39069882 166301259 /nfs/dbraw/zinc/30/12/59/166301259.db2.gz VIDGHUHIWGQCGJ-XCBNKYQSSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1C1CCCCC1 51689995 166301367 /nfs/dbraw/zinc/30/13/67/166301367.db2.gz CGOMMZCHKYMGAL-WDEREUQCSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@@H]1CC(C)=C[C@H](C)C1 39069881 166301416 /nfs/dbraw/zinc/30/14/16/166301416.db2.gz VIDGHUHIWGQCGJ-XVKPBYJWSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1C 34973112 166301462 /nfs/dbraw/zinc/30/14/62/166301462.db2.gz JKNKCMGUBLVWTP-QWHCGFSZSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@@H]1C=CCCCCC1 39069857 166301488 /nfs/dbraw/zinc/30/14/88/166301488.db2.gz NSNVIOQKEVYPCM-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CC(=O)[C@@H]1CC[C@]12[C@@H](C)C2(C)C 256315347 166301813 /nfs/dbraw/zinc/30/18/13/166301813.db2.gz RHAJEHXGSXLFCD-QXEWZRGKSA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)[C@@H]1CC=C(C)CC1(C)C 163665654 166301868 /nfs/dbraw/zinc/30/18/68/166301868.db2.gz SVJSKSJVELSWBO-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)[C@@H]1C(C)=CC[C@@H]2[C@H]1C2(C)C 38613961 166301950 /nfs/dbraw/zinc/30/19/50/166301950.db2.gz XCBVDXSSPNIVAO-OUAUKWLOSA-N 0 0 178.275 2.814 10 0 AFAERN CC(=O)[C@@H]1CC[C@@]12[C@H](C)C2(C)C 256315351 166301988 /nfs/dbraw/zinc/30/19/88/166301988.db2.gz RHAJEHXGSXLFCD-WCABBAIRSA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 34973113 166302438 /nfs/dbraw/zinc/30/24/38/166302438.db2.gz JUUDEMFZBQQLQO-YUMQZZPRSA-N 0 0 196.196 2.657 10 0 AFAERN CC(=O)[C@@H]1CC[C@]12[C@H](C)C2(C)C 256315354 166302576 /nfs/dbraw/zinc/30/25/76/166302576.db2.gz RHAJEHXGSXLFCD-YWVKMMECSA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)[C@@H]1C(C)=CC[C@H]2[C@@H]1C2(C)C 38613958 166302599 /nfs/dbraw/zinc/30/25/99/166302599.db2.gz XCBVDXSSPNIVAO-DCAQKATOSA-N 0 0 178.275 2.814 10 0 AFAERN CC(=O)[C@@]12CC=C(C)C[C@H]1CC2 45796490 166302890 /nfs/dbraw/zinc/30/28/90/166302890.db2.gz PPYMWTUPDCPULD-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(C)c1 50544438 166302907 /nfs/dbraw/zinc/30/29/07/166302907.db2.gz GFDQTXXFMCLFJU-WDEREUQCSA-N 0 0 192.233 2.827 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1cc(C)ccc1C 49669990 166303027 /nfs/dbraw/zinc/30/30/27/166303027.db2.gz XJMYRBMAXZYKIL-STQMWFEESA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1cccc(C)c1C 43314013 166303351 /nfs/dbraw/zinc/30/33/51/166303351.db2.gz MJHWLQXEXASXGZ-QWHCGFSZSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@@H]1[C@@H](C)CC=C(C)[C@@H]1C 39071912 166303447 /nfs/dbraw/zinc/30/34/47/166303447.db2.gz DGZGWNBRUJDNFX-ATZCPNFKSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@@]12CC=C(C)C[C@@H]1CC2 45796472 166303513 /nfs/dbraw/zinc/30/35/13/166303513.db2.gz PPYMWTUPDCPULD-QWRGUYRKSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@@H]1[C@@H](C)CC=CC1(C)C 39071904 166303543 /nfs/dbraw/zinc/30/35/43/166303543.db2.gz XTGNEGKUZLEJRU-WPRPVWTQSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@@]1(c2ccccc2)C[C@@H]1C 11833037 166303577 /nfs/dbraw/zinc/30/35/77/166303577.db2.gz QSCZLZCAPYPNHE-JOYOIKCWSA-N 0 0 174.243 2.553 10 0 AFAERN CC(=O)[C@@]1(c2ccc(F)cc2)C[C@@H]1C 11885491 166303623 /nfs/dbraw/zinc/30/36/23/166303623.db2.gz WHWPBZHCILXQOZ-QPUJVOFHSA-N 0 0 192.233 2.692 10 0 AFAERN CC(=O)[C@@]1(c2ccccc2)C[C@H]1C 11833035 166303667 /nfs/dbraw/zinc/30/36/67/166303667.db2.gz QSCZLZCAPYPNHE-BXKDBHETSA-N 0 0 174.243 2.553 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1C1CCCCC1 51689997 166303669 /nfs/dbraw/zinc/30/36/69/166303669.db2.gz CGOMMZCHKYMGAL-QWRGUYRKSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1C 50568844 166303673 /nfs/dbraw/zinc/30/36/73/166303673.db2.gz PHQUGSSBYMTMFU-NWDGAFQWSA-N 0 0 192.233 2.827 10 0 AFAERN CC(=O)[C@@]1(C)CC=C(C)CC1 5457663 166303691 /nfs/dbraw/zinc/30/36/91/166303691.db2.gz BIUSXTISNNLMOR-JTQLQIEISA-N 0 0 152.237 2.712 10 0 endogenous,in-man AFAERN CC(=O)[C@@]12CC=CC[C@@]1(C)CC2 45796496 166303773 /nfs/dbraw/zinc/30/37/73/166303773.db2.gz SIJBYQIYLPNWHH-QWRGUYRKSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1ccc(C)cc1C 34973110 166303784 /nfs/dbraw/zinc/30/37/84/166303784.db2.gz JKNKCMGUBLVWTP-STQMWFEESA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@@]1(c2ccc(F)cc2)C[C@H]1C 11885488 166303788 /nfs/dbraw/zinc/30/37/88/166303788.db2.gz WHWPBZHCILXQOZ-PRHODGIISA-N 0 0 192.233 2.692 10 0 AFAERN CC(=O)[C@@H]1[C@@H](C)CC=C(C)[C@H]1C 39071916 166303844 /nfs/dbraw/zinc/30/38/44/166303844.db2.gz DGZGWNBRUJDNFX-IQJOONFLSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1cccc(C)c1C 43314011 166303848 /nfs/dbraw/zinc/30/38/48/166303848.db2.gz MJHWLQXEXASXGZ-STQMWFEESA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1sccc1C 34973036 166304076 /nfs/dbraw/zinc/30/40/76/166304076.db2.gz IEUYKOCXZMOIQA-DTWKUNHWSA-N 0 0 180.272 2.749 10 0 AFAERN CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C 6037313 166304101 /nfs/dbraw/zinc/30/41/01/166304101.db2.gz WLTIDHLMFJRJHE-WPRPVWTQSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@@H]1[C@H](C)CC=C(C)[C@@H]1C 39071910 166304162 /nfs/dbraw/zinc/30/41/62/166304162.db2.gz DGZGWNBRUJDNFX-WCABBAIRSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C 6030600 166304203 /nfs/dbraw/zinc/30/42/03/166304203.db2.gz WLTIDHLMFJRJHE-SCZZXKLOSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@@]12CC=CC[C@]1(C)CC2 45796471 166304296 /nfs/dbraw/zinc/30/42/96/166304296.db2.gz SIJBYQIYLPNWHH-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@@]1(c2ccccc2F)C[C@H]1C 11885933 166304375 /nfs/dbraw/zinc/30/43/75/166304375.db2.gz IESUYHVRKBNJJW-PRHODGIISA-N 0 0 192.233 2.692 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 20594408 166304452 /nfs/dbraw/zinc/30/44/52/166304452.db2.gz CICIMYVQJPMEDK-IUCAKERBSA-N 0 0 196.196 2.657 10 0 AFAERN CC(=O)[C@@]12CC=C(C(C)C)[C@@H]1C2 39103951 166304489 /nfs/dbraw/zinc/30/44/89/166304489.db2.gz RUJCTPMFFRHSIO-QWRGUYRKSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 20594406 166304524 /nfs/dbraw/zinc/30/45/24/166304524.db2.gz CICIMYVQJPMEDK-DTWKUNHWSA-N 0 0 196.196 2.657 10 0 AFAERN CC(=O)[C@@]1(c2ccccc2F)C[C@@H]1C 11885936 166304589 /nfs/dbraw/zinc/30/45/89/166304589.db2.gz IESUYHVRKBNJJW-QPUJVOFHSA-N 0 0 192.233 2.692 10 0 AFAERN CC(=O)[C@@H]1[C@H](C)CC=CC1(C)C 39071902 166304673 /nfs/dbraw/zinc/30/46/73/166304673.db2.gz XTGNEGKUZLEJRU-SCZZXKLOSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 34973116 166304786 /nfs/dbraw/zinc/30/47/86/166304786.db2.gz JUUDEMFZBQQLQO-JGVFFNPUSA-N 0 0 196.196 2.657 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1C 50568843 166304796 /nfs/dbraw/zinc/30/47/96/166304796.db2.gz PHQUGSSBYMTMFU-RYUDHWBXSA-N 0 0 192.233 2.827 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1cc(C)cc(C)c1 43392866 166304806 /nfs/dbraw/zinc/30/48/06/166304806.db2.gz MAXFDVYOPDKYSH-STQMWFEESA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1sccc1C 34973037 166304844 /nfs/dbraw/zinc/30/48/44/166304844.db2.gz IEUYKOCXZMOIQA-IUCAKERBSA-N 0 0 180.272 2.749 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1ccc(F)c(C)c1 50544437 166304868 /nfs/dbraw/zinc/30/48/68/166304868.db2.gz GFDQTXXFMCLFJU-QWRGUYRKSA-N 0 0 192.233 2.827 10 0 AFAERN CC(=O)[C@H](C)CC=C(C)C 6036180 166304978 /nfs/dbraw/zinc/30/49/78/166304978.db2.gz GFFWTYGLHZTFHM-MRVPVSSYSA-N 0 0 140.226 2.568 10 0 AFAERN CC(=O)[C@H](C)Cc1ccc(F)c(F)c1 82531167 166305011 /nfs/dbraw/zinc/30/50/11/166305011.db2.gz RARQAWMNRKZDHP-SSDOTTSWSA-N 0 0 198.212 2.732 10 0 AFAERN CC(=O)[C@H](C)CCOc1ccccc1 43458340 166305045 /nfs/dbraw/zinc/30/50/45/166305045.db2.gz VKJZFBRURAFJNE-SNVBAGLBSA-N 0 0 192.258 2.681 10 0 AFAERN CC(=O)[C@H](C)Cc1cccc(C)c1 37947302 166305185 /nfs/dbraw/zinc/30/51/85/166305185.db2.gz BERBTJKDGIXYNZ-SNVBAGLBSA-N 0 0 176.259 2.763 10 0 AFAERN CC(=O)[C@H](C)CC1CCCC1 42375093 166305306 /nfs/dbraw/zinc/30/53/06/166305306.db2.gz NFWXPOMXOKYZAC-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)[C@H](C)Cc1cccc(F)c1 37947297 166305593 /nfs/dbraw/zinc/30/55/93/166305593.db2.gz SEAHDZPWBVJCSR-MRVPVSSYSA-N 0 0 180.222 2.593 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1 37350567 166305595 /nfs/dbraw/zinc/30/55/95/166305595.db2.gz LVSHNLMZNIDNCN-DVVUODLYSA-N 0 0 184.279 2.559 10 0 AFAERN CC(=O)[C@H](C)Oc1ccc(C)c(C)c1 35182333 166305735 /nfs/dbraw/zinc/30/57/35/166305735.db2.gz MFUWRZJXYIJSRV-NSHDSACASA-N 0 0 192.258 2.660 10 0 AFAERN CC(=O)[C@H](C)Cc1ccc(F)cc1 37947301 166305796 /nfs/dbraw/zinc/30/57/96/166305796.db2.gz KRVCZEQMZGAPIV-MRVPVSSYSA-N 0 0 180.222 2.593 10 0 AFAERN CC(=O)[C@H](C)Cc1cccc(F)c1F 37947323 166305905 /nfs/dbraw/zinc/30/59/05/166305905.db2.gz NYQRRLMSSUTUFM-SSDOTTSWSA-N 0 0 198.212 2.732 10 0 AFAERN CC(=O)[C@H](C)Cc1ccccc1C 37947304 166305948 /nfs/dbraw/zinc/30/59/48/166305948.db2.gz CMUYXLYESOVYAL-SNVBAGLBSA-N 0 0 176.259 2.763 10 0 AFAERN CC(=O)[C@H](C)Oc1ccc(C)cc1C 35181823 166306160 /nfs/dbraw/zinc/30/61/60/166306160.db2.gz FZGAIFWDEAKLTO-NSHDSACASA-N 0 0 192.258 2.660 10 0 AFAERN CC(=O)[C@H](C)Cc1ccccc1F 37947254 166306229 /nfs/dbraw/zinc/30/62/29/166306229.db2.gz DFYMLGPQEDYGSW-MRVPVSSYSA-N 0 0 180.222 2.593 10 0 AFAERN CC(=O)[C@H](C)OC[C@H]1CC=CC[C@@H]1C 50160246 166306286 /nfs/dbraw/zinc/30/62/86/166306286.db2.gz PHHKYJDWCGPOIR-ZMLRMANQSA-N 0 0 196.290 2.583 10 0 AFAERN CC(=O)[C@H](C)Sc1ccoc1C 39365142 166306297 /nfs/dbraw/zinc/30/62/97/166306297.db2.gz AOEYNSLUBHRZPA-QMMMGPOBSA-N 0 0 184.260 2.658 10 0 endogenous,in-man AFAERN CC(=O)[C@H](C)Cc1ccc(C)cc1 37947298 166306452 /nfs/dbraw/zinc/30/64/52/166306452.db2.gz OFGOKCJCACKAAT-SNVBAGLBSA-N 0 0 176.259 2.763 10 0 AFAERN CC(=O)[C@H](C)OCC1CCCCC1 52154981 166306800 /nfs/dbraw/zinc/30/68/00/166306800.db2.gz XISZAGNNDYBCEG-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)[C@H](C)c1ccc(C)cc1 39278757 166306841 /nfs/dbraw/zinc/30/68/41/166306841.db2.gz LVHKNIUWZMJFCW-VIFPVBQESA-N 0 0 162.232 2.688 10 0 AFAERN CC(=O)[C@H](C)Oc1cc(C)ccc1C 35182277 166306938 /nfs/dbraw/zinc/30/69/38/166306938.db2.gz IRFZRSYVQSVNFP-NSHDSACASA-N 0 0 192.258 2.660 10 0 AFAERN CC(=O)[C@H](C)Cc1ccc(F)c(C)c1 82530798 166306988 /nfs/dbraw/zinc/30/69/88/166306988.db2.gz UPHRBJVXBZMGDY-MRVPVSSYSA-N 0 0 194.249 2.902 10 0 AFAERN CC(=O)[C@H](C)Cc1cc(F)ccc1F 43458965 166307025 /nfs/dbraw/zinc/30/70/25/166307025.db2.gz QFSIDSPFXHDCDH-SSDOTTSWSA-N 0 0 198.212 2.732 10 0 AFAERN CC(=O)[C@H](C)Sc1cccs1 37353065 166307066 /nfs/dbraw/zinc/30/70/66/166307066.db2.gz QBXLTLWFTGBDNJ-ZETCQYMHSA-N 0 0 186.301 2.818 10 0 AFAERN CC(=O)[C@H](C)CCC(C)C 37947245 166307195 /nfs/dbraw/zinc/30/71/95/166307195.db2.gz HOLXQPDPTQSXMM-MRVPVSSYSA-N 0 0 142.242 2.648 10 0 AFAERN CC(=O)[C@H](C)Cc1cccs1 37947269 166307331 /nfs/dbraw/zinc/30/73/31/166307331.db2.gz HXHKEKHIUGGSQU-SSDOTTSWSA-N 0 0 168.261 2.516 10 0 AFAERN CC(=O)[C@H](C)O[C@H]1CCC[C@@H](C)C1 37350563 166307542 /nfs/dbraw/zinc/30/75/42/166307542.db2.gz LVSHNLMZNIDNCN-MIMYLULJSA-N 0 0 184.279 2.559 10 0 AFAERN CC(=O)[C@H](C)Oc1cccc(C)c1C 35184351 166307567 /nfs/dbraw/zinc/30/75/67/166307567.db2.gz PBXXYBYVYMBRFW-NSHDSACASA-N 0 0 192.258 2.660 10 0 AFAERN CC(=O)[C@H](C)Cc1ccsc1 37947321 166307586 /nfs/dbraw/zinc/30/75/86/166307586.db2.gz ZRLFKBQUTAQMDF-SSDOTTSWSA-N 0 0 168.261 2.516 10 0 AFAERN CC(=O)[C@H](C)OC[C@@H]1CC=CC[C@@H]1C 50160248 166307648 /nfs/dbraw/zinc/30/76/48/166307648.db2.gz PHHKYJDWCGPOIR-DLOVCJGASA-N 0 0 196.290 2.583 10 0 AFAERN CC(=O)[C@H]1CC(C)=C[C@@H](C)C1 39069884 166308266 /nfs/dbraw/zinc/30/82/66/166308266.db2.gz VIDGHUHIWGQCGJ-GMSGAONNSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@H]1C(C)=C1C(C)(C)C 39069902 166309172 /nfs/dbraw/zinc/30/91/72/166309172.db2.gz RUHAATKCKWUNIX-MRVPVSSYSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@H]1CCC(C)=CC1(C)C 33604992 166309482 /nfs/dbraw/zinc/30/94/82/166309482.db2.gz APIYGDOSJKQKKZ-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)[C@H]1CCC(C)=C[C@@H]1C 39069879 166309576 /nfs/dbraw/zinc/30/95/76/166309576.db2.gz LXWLBFXNZBZRMK-WPRPVWTQSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@H]1CC(C)=C[C@H](C)C1 39069883 166309654 /nfs/dbraw/zinc/30/96/54/166309654.db2.gz VIDGHUHIWGQCGJ-OIBJUYFYSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@H]1CC=C(C)CC1(C)C 163665534 166309972 /nfs/dbraw/zinc/30/99/72/166309972.db2.gz SVJSKSJVELSWBO-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)[C@H]1CCCCC1(C)C 32215976 166310096 /nfs/dbraw/zinc/31/00/96/166310096.db2.gz VXHOFFZAGUMFCK-SECBINFHSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)[C@H]1CCCc2ccccc21 39223153 166310204 /nfs/dbraw/zinc/31/02/04/166310204.db2.gz GQABVRJAGAAIPJ-LLVKDONJSA-N 0 0 174.243 2.696 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1cc(C)ccc1C 49669987 166310637 /nfs/dbraw/zinc/31/06/37/166310637.db2.gz XJMYRBMAXZYKIL-OLZOCXBDSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C 6037314 166310650 /nfs/dbraw/zinc/31/06/50/166310650.db2.gz WLTIDHLMFJRJHE-WCBMZHEXSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1C 50568842 166310729 /nfs/dbraw/zinc/31/07/29/166310729.db2.gz PHQUGSSBYMTMFU-VXGBXAGGSA-N 0 0 192.233 2.827 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1ccc(F)cc1C 50568841 166310747 /nfs/dbraw/zinc/31/07/47/166310747.db2.gz PHQUGSSBYMTMFU-NEPJUHHUSA-N 0 0 192.233 2.827 10 0 AFAERN CC(=O)[C@H]1C[C@@]2(C)C=C[C@@H]1CC2 39071665 166310863 /nfs/dbraw/zinc/31/08/63/166310863.db2.gz ZPUCCDOQISFGGG-MXWKQRLJSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 34973118 166310894 /nfs/dbraw/zinc/31/08/94/166310894.db2.gz JUUDEMFZBQQLQO-HTQZYQBOSA-N 0 0 196.196 2.657 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1cc(C)cc(C)c1 43392862 166310924 /nfs/dbraw/zinc/31/09/24/166310924.db2.gz MAXFDVYOPDKYSH-OLZOCXBDSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1sccc1C 34973034 166311016 /nfs/dbraw/zinc/31/10/16/166311016.db2.gz IEUYKOCXZMOIQA-BDAKNGLRSA-N 0 0 180.272 2.749 10 0 AFAERN CC(=O)[C@]1(C)C(C)=CC[C@@H]1C 39069809 166311032 /nfs/dbraw/zinc/31/10/32/166311032.db2.gz YLUCERCIXNHCOG-WCBMZHEXSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1ccc(F)c(C)c1 50544435 166311074 /nfs/dbraw/zinc/31/10/74/166311074.db2.gz GFDQTXXFMCLFJU-MNOVXSKESA-N 0 0 192.233 2.827 10 0 AFAERN CC(=O)[C@H]1[C@H](C)C(C)=CC[C@H]1C 39071914 166311242 /nfs/dbraw/zinc/31/12/42/166311242.db2.gz DGZGWNBRUJDNFX-FXPVBKGRSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1ccc(F)c(C)c1 50544436 166311247 /nfs/dbraw/zinc/31/12/47/166311247.db2.gz GFDQTXXFMCLFJU-GHMZBOCLSA-N 0 0 192.233 2.827 10 0 AFAERN CC(=O)[C@]1(C)CCCC[C@H]1C 39070067 166311437 /nfs/dbraw/zinc/31/14/37/166311437.db2.gz HYKXDAINNKOBKZ-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1C1CCCCC1 51689996 166311527 /nfs/dbraw/zinc/31/15/27/166311527.db2.gz CGOMMZCHKYMGAL-GHMZBOCLSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1sccc1C 34973032 166311736 /nfs/dbraw/zinc/31/17/36/166311736.db2.gz IEUYKOCXZMOIQA-RKDXNWHRSA-N 0 0 180.272 2.749 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1cccc(C)c1C 43314009 166311794 /nfs/dbraw/zinc/31/17/94/166311794.db2.gz MJHWLQXEXASXGZ-CHWSQXEVSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@H]1[C@H](C)C=CCC1(C)C 6030601 166311797 /nfs/dbraw/zinc/31/17/97/166311797.db2.gz WLTIDHLMFJRJHE-PSASIEDQSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@H]1[C@@H](C)CC=CC1(C)C 39071908 166311802 /nfs/dbraw/zinc/31/18/02/166311802.db2.gz XTGNEGKUZLEJRU-WCBMZHEXSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1cc(C)ccc1C 49669989 166311873 /nfs/dbraw/zinc/31/18/73/166311873.db2.gz XJMYRBMAXZYKIL-CHWSQXEVSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@]1(C)CC=C(C)CC1 5457565 166311929 /nfs/dbraw/zinc/31/19/29/166311929.db2.gz BIUSXTISNNLMOR-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 endogenous,in-man AFAERN CC(=O)[C@H]1C[C@H]1c1ccc(C)cc1C 34973107 166311965 /nfs/dbraw/zinc/31/19/65/166311965.db2.gz JKNKCMGUBLVWTP-OLZOCXBDSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1ccc(C)cc1C 34973109 166311969 /nfs/dbraw/zinc/31/19/69/166311969.db2.gz JKNKCMGUBLVWTP-CHWSQXEVSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 20594407 166312017 /nfs/dbraw/zinc/31/20/17/166312017.db2.gz CICIMYVQJPMEDK-RKDXNWHRSA-N 0 0 196.196 2.657 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 20594409 166312039 /nfs/dbraw/zinc/31/20/39/166312039.db2.gz CICIMYVQJPMEDK-BDAKNGLRSA-N 0 0 196.196 2.657 10 0 AFAERN CC(=O)[C@H]1[C@H](C)CC=CC1(C)C 39071906 166312142 /nfs/dbraw/zinc/31/21/42/166312142.db2.gz XTGNEGKUZLEJRU-PSASIEDQSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 34973115 166312202 /nfs/dbraw/zinc/31/22/02/166312202.db2.gz JUUDEMFZBQQLQO-SFYZADRCSA-N 0 0 196.196 2.657 10 0 AFAERN CC(=O)[C@]1(C)CCCC1(C)C 39070091 166312375 /nfs/dbraw/zinc/31/23/75/166312375.db2.gz TUPJGSPDSBPZTJ-JTQLQIEISA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)[C@]1(C)CC=CC1(C)C 165216637 166312447 /nfs/dbraw/zinc/31/24/47/166312447.db2.gz KXXFMBXPMIMYTI-JTQLQIEISA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1cccc(C)c1C 43314007 166312502 /nfs/dbraw/zinc/31/25/02/166312502.db2.gz MJHWLQXEXASXGZ-OLZOCXBDSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)[C@H]1C[C@H]1C1CCCCC1 51689998 166312515 /nfs/dbraw/zinc/31/25/15/166312515.db2.gz CGOMMZCHKYMGAL-MNOVXSKESA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1cc(C)cc(C)c1 43392864 166312582 /nfs/dbraw/zinc/31/25/82/166312582.db2.gz MAXFDVYOPDKYSH-CHWSQXEVSA-N 0 0 188.270 2.996 10 0 AFAERN CC(=O)c1c(F)ccc2cccnc12 75844380 166313061 /nfs/dbraw/zinc/31/30/61/166313061.db2.gz JWZKIUJMHMFNOW-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1c(C)csc1C 59665460 166313214 /nfs/dbraw/zinc/31/32/14/166313214.db2.gz SUKAGUJHEYULJZ-UHFFFAOYSA-N 0 0 154.234 2.568 10 0 AFAERN CC(=O)c1c(C)sc(C)c1C 165521358 166313265 /nfs/dbraw/zinc/31/32/65/166313265.db2.gz HRYFTWOJIZZSKE-UHFFFAOYSA-N 0 0 168.261 2.876 10 0 AFAERN CC(=O)c1c(C)[nH]c2cccc(C)c12 82879613 166313308 /nfs/dbraw/zinc/31/33/08/166313308.db2.gz LZGVBJVDZGNAOX-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1c(C(C)C)c[nH]c1C 45796530 166313375 /nfs/dbraw/zinc/31/33/75/166313375.db2.gz IUHURASDMYARKH-UHFFFAOYSA-N 0 0 165.236 2.649 10 0 AFAERN CC(=O)[C@]12CC=C(C)C[C@@H]1CC2 45796492 166313377 /nfs/dbraw/zinc/31/33/77/166313377.db2.gz PPYMWTUPDCPULD-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)c1c(C)[nH]c2cc(F)ccc12 82588444 166313413 /nfs/dbraw/zinc/31/34/13/166313413.db2.gz WRZISGBXOSJKKX-UHFFFAOYSA-N 0 0 191.205 2.818 10 0 AFAERN CC(=O)c1c(O)cc(C)cc1Cl 75576771 166313473 /nfs/dbraw/zinc/31/34/73/166313473.db2.gz RNPRNDPIGSQCEC-UHFFFAOYSA-N 0 0 184.622 2.557 10 0 AFAERN CC(=O)c1c(C)cc2sccn12 39931934 166313526 /nfs/dbraw/zinc/31/35/26/166313526.db2.gz KOYHGHNLHUGWBE-UHFFFAOYSA-N 0 0 179.244 2.512 10 0 AFAERN CC(=O)c1c(C)cc(C)c(Cl)c1O 75600989 166313532 /nfs/dbraw/zinc/31/35/32/166313532.db2.gz AMRDVOOFQTZZAF-UHFFFAOYSA-N 0 0 198.649 2.865 10 0 AFAERN CC(=O)c1c(F)cccc1OC(C)C 19871336 166313549 /nfs/dbraw/zinc/31/35/49/166313549.db2.gz NBQXPVPJCCIQGI-UHFFFAOYSA-N 0 0 196.221 2.816 10 0 AFAERN CC(=O)[C@]1(c2ccccc2F)C[C@@H]1C 11885945 166313567 /nfs/dbraw/zinc/31/35/67/166313567.db2.gz IESUYHVRKBNJJW-UFBFGSQYSA-N 0 0 192.233 2.692 10 0 AFAERN CC(=O)c1[nH]c2cccc(F)c2c1C 82389700 166313612 /nfs/dbraw/zinc/31/36/12/166313612.db2.gz LQBHMMOCIWCCMZ-UHFFFAOYSA-N 0 0 191.205 2.818 10 0 AFAERN CC(=O)c1[nH]ccc1-c1ccccc1 98101530 166313670 /nfs/dbraw/zinc/31/36/70/166313670.db2.gz DVBIYQAFFAMWIE-UHFFFAOYSA-N 0 0 185.226 2.884 10 0 AFAERN CC(=O)c1c(C)[nH]c2ccc(F)cc12 19725050 166313688 /nfs/dbraw/zinc/31/36/88/166313688.db2.gz GAQFYSXBXAQEHW-UHFFFAOYSA-N 0 0 191.205 2.818 10 0 AFAERN CC(=O)[C@]12CC=CC[C@]1(C)CC2 45796498 166313765 /nfs/dbraw/zinc/31/37/65/166313765.db2.gz SIJBYQIYLPNWHH-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@]1(c2ccccc2)C[C@@H]1C 11833042 166313784 /nfs/dbraw/zinc/31/37/84/166313784.db2.gz QSCZLZCAPYPNHE-CABZTGNLSA-N 0 0 174.243 2.553 10 0 AFAERN CC(=O)[C@]1(c2ccccc2)C[C@H]1C 11833040 166313837 /nfs/dbraw/zinc/31/38/37/166313837.db2.gz QSCZLZCAPYPNHE-SKDRFNHKSA-N 0 0 174.243 2.553 10 0 AFAERN CC(=O)c1c(C)oc2c1CCCC2 77090257 166313845 /nfs/dbraw/zinc/31/38/45/166313845.db2.gz WLIPFHFMKZVIHI-UHFFFAOYSA-N 0 0 178.231 2.669 10 0 AFAERN CC(=O)c1[nH]c2cccc(C)c2c1C 82391743 166313873 /nfs/dbraw/zinc/31/38/73/166313873.db2.gz FHEFOCKQRLIQFK-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)[C@]12CC=CC[C@@]1(C)CC2 45796494 166313881 /nfs/dbraw/zinc/31/38/81/166313881.db2.gz SIJBYQIYLPNWHH-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@]1(c2ccccc2F)C[C@H]1C 11885942 166313891 /nfs/dbraw/zinc/31/38/91/166313891.db2.gz IESUYHVRKBNJJW-PELKAZGASA-N 0 0 192.233 2.692 10 0 AFAERN CC(=O)[C@]12CC=C(C)C[C@H]1CC2 45796488 166313956 /nfs/dbraw/zinc/31/39/56/166313956.db2.gz PPYMWTUPDCPULD-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@]12CC=C(C(C)C)[C@H]1C2 39103950 166314013 /nfs/dbraw/zinc/31/40/13/166314013.db2.gz RUJCTPMFFRHSIO-GHMZBOCLSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)c1c(C)[nH]c(C(C)C)c1C 173792 166314124 /nfs/dbraw/zinc/31/41/24/166314124.db2.gz UJWCMBRFXYGICF-UHFFFAOYSA-N 0 0 179.263 2.958 10 0 AFAERN CC(=O)c1c(C)cc(O)c(C)c1C 71456292 166314147 /nfs/dbraw/zinc/31/41/47/166314147.db2.gz OTNFKWQSUOOHPN-UHFFFAOYSA-N 0 0 178.231 2.520 10 0 AFAERN CC(=O)[C@]1(c2ccc(F)cc2)C[C@H]1C 11885494 166314167 /nfs/dbraw/zinc/31/41/67/166314167.db2.gz WHWPBZHCILXQOZ-PELKAZGASA-N 0 0 192.233 2.692 10 0 AFAERN CC(=O)c1[nH]c2cc(F)ccc2c1C 82389699 166314238 /nfs/dbraw/zinc/31/42/38/166314238.db2.gz HUHZHORGZWODDQ-UHFFFAOYSA-N 0 0 191.205 2.818 10 0 AFAERN CC(=O)c1c(C)[nH]c2cccc(F)c12 82389698 166314369 /nfs/dbraw/zinc/31/43/69/166314369.db2.gz UTEINKXBNSTITJ-UHFFFAOYSA-N 0 0 191.205 2.818 10 0 AFAERN CC(=O)c1c(C)c(Cl)cc(C)c1O 71457021 166314548 /nfs/dbraw/zinc/31/45/48/166314548.db2.gz QJCDTPXWTGHLNC-UHFFFAOYSA-N 0 0 198.649 2.865 10 0 AFAERN CC(=O)c1c(C)[nH]c2c(C)cccc12 71493488 166314657 /nfs/dbraw/zinc/31/46/57/166314657.db2.gz IXQJHYYJMXRLSD-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1[nH]c2ccc(C)cc2c1C 39641950 166314693 /nfs/dbraw/zinc/31/46/93/166314693.db2.gz JTZZDDRWPDNGSI-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)[C@]1(c2ccc(F)cc2)C[C@@H]1C 11885497 166314745 /nfs/dbraw/zinc/31/47/45/166314745.db2.gz WHWPBZHCILXQOZ-UFBFGSQYSA-N 0 0 192.233 2.692 10 0 AFAERN CC(=O)c1c(C)[nH]c2ccc(C)cc12 19725028 166315071 /nfs/dbraw/zinc/31/50/71/166315071.db2.gz WZZVUNFBXMLSSK-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1c(F)ccc2cnccc12 82778692 166315233 /nfs/dbraw/zinc/31/52/33/166315233.db2.gz MAEXHMDANSWZQD-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1c(C)[nH]c2c(F)cccc12 71493491 166315367 /nfs/dbraw/zinc/31/53/67/166315367.db2.gz UHJOSUKCDAONBB-UHFFFAOYSA-N 0 0 191.205 2.818 10 0 AFAERN CC(=O)c1cc(-c2cccs2)no1 57488803 166315559 /nfs/dbraw/zinc/31/55/59/166315559.db2.gz YKXLYYFLLAZZBQ-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CC(=O)c1cc(C(F)(F)F)cs1 82387655 166315606 /nfs/dbraw/zinc/31/56/06/166315606.db2.gz ZJJRRGFMYGIYES-UHFFFAOYSA-N 0 0 194.177 2.970 10 0 AFAERN CC(=O)c1c[nH]c2ccc(C)c(C)c12 82391745 166315621 /nfs/dbraw/zinc/31/56/21/166315621.db2.gz AVMUDDXEUPEOKL-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1cc(C(C)C)n(C)c1C 77267859 166315623 /nfs/dbraw/zinc/31/56/23/166315623.db2.gz OKEJKEYCYHGLAA-UHFFFAOYSA-N 0 0 179.263 2.660 10 0 AFAERN CC(=O)c1c[nH]c(C2CCCCC2)n1 75393269 166315680 /nfs/dbraw/zinc/31/56/80/166315680.db2.gz RNKUOPADPVXETR-UHFFFAOYSA-N 0 0 192.262 2.660 10 0 AFAERN CC(=O)c1cc(C)cc2cccnc12 82778865 166315937 /nfs/dbraw/zinc/31/59/37/166315937.db2.gz WMWKXNGERVZIHR-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1cc(C(C)C)[nH]c1C 77261723 166315994 /nfs/dbraw/zinc/31/59/94/166315994.db2.gz XGUGGFMUTFCVRV-UHFFFAOYSA-N 0 0 165.236 2.649 10 0 AFAERN CC(=O)c1c[nH]c2cccc(C)c12 36947467 166316119 /nfs/dbraw/zinc/31/61/19/166316119.db2.gz UGCIWYUQKIRYOA-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CC(=O)c1cc(C)c(C)c2ncoc12 41652747 166316328 /nfs/dbraw/zinc/31/63/28/166316328.db2.gz ZGRUMUPXRLFTDC-UHFFFAOYSA-N 0 0 189.214 2.647 10 0 AFAERN CC(=O)c1cc(C(C)(C)C)n(C)c1C 77278297 166316339 /nfs/dbraw/zinc/31/63/39/166316339.db2.gz NYEBVKDUQRIOBX-UHFFFAOYSA-N 0 0 193.290 2.834 10 0 AFAERN CC(=O)c1cc(C)c(F)cc1Cl 34618641 166316363 /nfs/dbraw/zinc/31/63/63/166316363.db2.gz JSDFREXEQHEXSG-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN CC(=O)c1cc(C(C)C)co1 83268241 166316377 /nfs/dbraw/zinc/31/63/77/166316377.db2.gz LVARGUJHTWKMAH-UHFFFAOYSA-N 0 0 152.193 2.606 10 0 AFAERN CC(=O)c1c(O)ccc2c(C)coc12 205418683 166316521 /nfs/dbraw/zinc/31/65/21/166316521.db2.gz LDFAFOGEMOPKSN-UHFFFAOYSA-N 0 0 190.198 2.649 10 0 AFAERN CC(=O)c1c[nH]c2c(C)ccc(C)c12 82391746 166316558 /nfs/dbraw/zinc/31/65/58/166316558.db2.gz RFFMKGORWINPLC-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1cc(C)c(C)c(O)c1C 75568439 166316648 /nfs/dbraw/zinc/31/66/48/166316648.db2.gz MLUGKMCGRSIPQH-UHFFFAOYSA-N 0 0 178.231 2.520 10 0 AFAERN CC(=O)c1c[nH]c2c(C)c(C)ccc12 82588133 166316805 /nfs/dbraw/zinc/31/68/05/166316805.db2.gz WRSDASPPKBJXMK-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1c[nH]c2c(F)cccc12 71487607 166316859 /nfs/dbraw/zinc/31/68/59/166316859.db2.gz ZFIROPGEDNPFSG-UHFFFAOYSA-N 0 0 177.178 2.510 10 0 AFAERN CC(=O)c1cc(C)c(C)c(C)c1O 75568474 166316862 /nfs/dbraw/zinc/31/68/62/166316862.db2.gz YCXPOHGBOSVPEP-UHFFFAOYSA-N 0 0 178.231 2.520 10 0 AFAERN CC(=O)c1cc(C(F)(F)F)co1 82398049 166316943 /nfs/dbraw/zinc/31/69/43/166316943.db2.gz KOSGNVDXXDKMOE-UHFFFAOYSA-N 0 0 178.109 2.501 10 0 AFAERN CC(=O)c1cc(C(C)(C)C)[nH]c1C 77267869 166316960 /nfs/dbraw/zinc/31/69/60/166316960.db2.gz OVMPFHLNAJIXFY-UHFFFAOYSA-N 0 0 179.263 2.823 10 0 AFAERN CC(=O)c1cc(C)c(C(C)C)o1 39071974 166317007 /nfs/dbraw/zinc/31/70/07/166317007.db2.gz CCKUJBOEGLUXPU-UHFFFAOYSA-N 0 0 166.220 2.914 10 0 AFAERN CC(=O)c1c[nH]c(-c2ccccc2)c1 5283764 166317106 /nfs/dbraw/zinc/31/71/06/166317106.db2.gz ARUITDCTKODANA-UHFFFAOYSA-N 0 0 185.226 2.884 10 0 AFAERN CC(=O)c1c[nH]c2cc(C)c(C)cc12 82391749 166317173 /nfs/dbraw/zinc/31/71/73/166317173.db2.gz ZJITUMBZTWUWQA-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1cc(C)cc2cnccc12 82778687 166317219 /nfs/dbraw/zinc/31/72/19/166317219.db2.gz HIYPICGVUCMREG-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1c[nH]c2cccc(F)c12 82398459 166317288 /nfs/dbraw/zinc/31/72/88/166317288.db2.gz VZLRGKISWAFVBR-UHFFFAOYSA-N 0 0 177.178 2.510 10 0 AFAERN CC(=O)c1c[nH]c2cc(C)cc(C)c12 82391747 166317540 /nfs/dbraw/zinc/31/75/40/166317540.db2.gz BVJLWVBIZPDRDF-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1cc(-c2cccs2)on1 57488828 166317655 /nfs/dbraw/zinc/31/76/55/166317655.db2.gz DCMAHCCTHUDJPY-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CC(=O)c1cc(-c2ccc[nH]2)[nH]c1C 77274105 166317704 /nfs/dbraw/zinc/31/77/04/166317704.db2.gz YBAOTCNIIICDJQ-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN CC(=O)c1cc(C)c(F)c(F)c1F 75838783 166317751 /nfs/dbraw/zinc/31/77/51/166317751.db2.gz RWQVCLPHVZHKRJ-UHFFFAOYSA-N 0 0 188.148 2.615 10 0 AFAERN CC(=O)c1cc(-c2cc[nH]c2)[nH]c1C 77274109 166317760 /nfs/dbraw/zinc/31/77/60/166317760.db2.gz XVNOSLLWGIACAX-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN CC(=O)c1cc(C)cc(Cl)c1 43501982 166317832 /nfs/dbraw/zinc/31/78/32/166317832.db2.gz MXOVFHVTKQDYHA-UHFFFAOYSA-N 0 0 168.623 2.851 10 0 AFAERN CC(=O)c1c[nH]c2c(C)cc(C)cc12 82391748 166317857 /nfs/dbraw/zinc/31/78/57/166317857.db2.gz SZWQJCPHAXJTSC-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1cc(CC(C)C)n(C)c1C 77278294 166319099 /nfs/dbraw/zinc/31/90/99/166319099.db2.gz WMOSEBBXWJEHND-UHFFFAOYSA-N 0 0 193.290 2.735 10 0 AFAERN CC(=O)c1cc(F)c2ncccc2c1 82778864 166319276 /nfs/dbraw/zinc/31/92/76/166319276.db2.gz NZCVNBCKSTZRGJ-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1cc(C)nc2ccccc12 34406192 166319315 /nfs/dbraw/zinc/31/93/15/166319315.db2.gz NAMJJRIVHWLVEA-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1cc(Cl)cc(C(C)=O)c1 75844378 166319761 /nfs/dbraw/zinc/31/97/61/166319761.db2.gz OMKWTTTVEGGLCO-UHFFFAOYSA-N 0 0 196.633 2.745 10 0 AFAERN CC(=O)c1cc(CC(C)C)[nH]c1C 77267866 166320052 /nfs/dbraw/zinc/32/00/52/166320052.db2.gz IXXJEFNPWAXLFB-UHFFFAOYSA-N 0 0 179.263 2.724 10 0 AFAERN CC(=O)c1cc(F)cc2cnccc12 82778691 166320093 /nfs/dbraw/zinc/32/00/93/166320093.db2.gz ORZFSEBTSWXHBF-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1cc(Cl)cc(C)c1F 75925121 166320100 /nfs/dbraw/zinc/32/01/00/166320100.db2.gz BEPMQZBOVPSKQL-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN CC(=O)c1cc(Cl)c2ocnc2c1 41652525 166320152 /nfs/dbraw/zinc/32/01/52/166320152.db2.gz YXOBGAHQWZNNDU-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN CC(=O)c1cc(Cl)cc2ncoc12 41652764 166320622 /nfs/dbraw/zinc/32/06/22/166320622.db2.gz SFSPRZVVTUKJKZ-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN CC(=O)c1cc(Cl)cc(N(C)C)c1 82716767 166320728 /nfs/dbraw/zinc/32/07/28/166320728.db2.gz DCPWCZVHVFWXPO-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN CC(=O)c1ccc(-c2ccccn2)o1 82708579 166321133 /nfs/dbraw/zinc/32/11/33/166321133.db2.gz WQNCOUZNLBWANU-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN CC(=O)c1cc2cc(C)ccc2[nH]1 39416402 166321162 /nfs/dbraw/zinc/32/11/62/166321162.db2.gz NBXQMIOMSVTMCR-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CC(=O)c1cc2c(C)nc(C)cc2o1 82391029 166321493 /nfs/dbraw/zinc/32/14/93/166321493.db2.gz ROPFZQYLBAESKD-UHFFFAOYSA-N 0 0 189.214 2.647 10 0 AFAERN CC(=O)c1cc2c(C)cc(C)nc2o1 82391078 166321505 /nfs/dbraw/zinc/32/15/05/166321505.db2.gz NZIZXWRQHIWXKU-UHFFFAOYSA-N 0 0 189.214 2.647 10 0 AFAERN CC(=O)c1cc2c(s1)CCS2 82392998 166321671 /nfs/dbraw/zinc/32/16/71/166321671.db2.gz SJMILVVZUIXQFC-UHFFFAOYSA-N 0 0 184.285 2.599 10 0 AFAERN CC(=O)c1cc2c(cc1Cl)CCN2 82386142 166321708 /nfs/dbraw/zinc/32/17/08/166321708.db2.gz DAJTZACZKZKYDV-UHFFFAOYSA-N 0 0 195.649 2.511 10 0 AFAERN CC(=O)c1cc2cc(N)ccc2s1 82320440 166321729 /nfs/dbraw/zinc/32/17/29/166321729.db2.gz NCQCUEHTHHOKGL-UHFFFAOYSA-N 0 0 191.255 2.686 10 0 AFAERN CC(=O)c1ccc(C(F)F)c(F)c1 95631347 166321760 /nfs/dbraw/zinc/32/17/60/166321760.db2.gz FEOBYQFYRHDMDM-UHFFFAOYSA-N 0 0 188.148 2.966 10 0 AFAERN CC(=O)c1ccc(C)c2ccncc12 82778686 166321764 /nfs/dbraw/zinc/32/17/64/166321764.db2.gz RXQDEEXHVWOVQY-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1cc2cccc(C)c2[nH]1 62718498 166321779 /nfs/dbraw/zinc/32/17/79/166321779.db2.gz QPWNRZNCHVXQJE-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CC(=O)c1cc2cc(C)cc(C)c2[nH]1 82320100 166321806 /nfs/dbraw/zinc/32/18/06/166321806.db2.gz MTZAYBDUNNPIBO-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1cc2c(cc1Cl)NCC2 82386131 166321832 /nfs/dbraw/zinc/32/18/32/166321832.db2.gz PZNGOSCEOFHTJE-UHFFFAOYSA-N 0 0 195.649 2.511 10 0 AFAERN CC(=O)c1cc2c(o1)CCC[C@H]2C 82397833 166321927 /nfs/dbraw/zinc/32/19/27/166321927.db2.gz WVYXKCLLYWWHGB-SSDOTTSWSA-N 0 0 178.231 2.922 10 0 AFAERN CC(=O)c1ccc(C(F)(F)F)o1 82398050 166321943 /nfs/dbraw/zinc/32/19/43/166321943.db2.gz UWHUKIXZNHOTBU-UHFFFAOYSA-N 0 0 178.109 2.501 10 0 AFAERN CC(=O)c1cc2cc(F)cc(F)c2o1 82386109 166322006 /nfs/dbraw/zinc/32/20/06/166322006.db2.gz QEKDZIAYTMQGHJ-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN CC(=O)c1cc2c(F)cccc2o1 82397983 166322039 /nfs/dbraw/zinc/32/20/39/166322039.db2.gz VDLBAIVUUGDRDR-UHFFFAOYSA-N 0 0 178.162 2.775 10 0 AFAERN CC(=O)c1cc2c(o1)CCC[C@@H]2C 82397834 166322131 /nfs/dbraw/zinc/32/21/31/166322131.db2.gz WVYXKCLLYWWHGB-ZETCQYMHSA-N 0 0 178.231 2.922 10 0 AFAERN CC(=O)c1cc2ccc(C)cc2[nH]1 82320106 166322142 /nfs/dbraw/zinc/32/21/42/166322142.db2.gz UWNWAJWHYGRLEF-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CC(=O)c1cc2cc(C)oc2cc1O 75579512 166322502 /nfs/dbraw/zinc/32/25/02/166322502.db2.gz ICIOTADVTJVRGE-UHFFFAOYSA-N 0 0 190.198 2.649 10 0 AFAERN CC(=O)c1ccc(C)c(Cl)c1O 82885250 166322548 /nfs/dbraw/zinc/32/25/48/166322548.db2.gz RHXSSYHTIPBZBL-UHFFFAOYSA-N 0 0 184.622 2.557 10 0 AFAERN CC(=O)c1cc2ccc(C)nc2s1 82389538 166322573 /nfs/dbraw/zinc/32/25/73/166322573.db2.gz YVBXJRMZGHIKIF-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN CC(=O)c1cc2sccc2nc1C 5921511 166322600 /nfs/dbraw/zinc/32/26/00/166322600.db2.gz FZTMXYZXRFDJBE-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN CC(=O)c1ccc(-c2ccncc2)o1 82708611 166322690 /nfs/dbraw/zinc/32/26/90/166322690.db2.gz ZRTZZUSWSPVUCL-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN CC(=O)c1cc2c(F)cc(F)cc2o1 75926873 166322711 /nfs/dbraw/zinc/32/27/11/166322711.db2.gz YZDAOWWUMMLUNZ-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN CC(=O)c1cc2c(C)cc(C)cc2[nH]1 82320108 166322734 /nfs/dbraw/zinc/32/27/34/166322734.db2.gz NUSSYDZDSSAGRB-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1ccc(C(C)(C)C)cc1O 34214781 166322838 /nfs/dbraw/zinc/32/28/38/166322838.db2.gz OAUPGHMBSLFFGE-UHFFFAOYSA-N 0 0 192.258 2.892 10 0 AFAERN CC(=O)c1cc2c(F)c(F)ccc2o1 75926876 166323162 /nfs/dbraw/zinc/32/31/62/166323162.db2.gz FFHFWMVMTRPASG-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN CC(=O)c1cc2c(Cl)cncc2o1 82386158 166323213 /nfs/dbraw/zinc/32/32/13/166323213.db2.gz IXBZVBLPVRZTRZ-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN CC(=O)c1ccc(SC(C)C)cn1 64033970 166323653 /nfs/dbraw/zinc/32/36/53/166323653.db2.gz WMZYRZQDVMUJTR-UHFFFAOYSA-N 0 0 195.287 2.785 10 0 AFAERN CC(=O)c1ccc(F)c2ccncc12 82778685 166324066 /nfs/dbraw/zinc/32/40/66/166324066.db2.gz IUYUAOTUTRKBPT-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1ccc(F)c2cnccc12 82778693 166324169 /nfs/dbraw/zinc/32/41/69/166324169.db2.gz VDGCZANYWZAJRM-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1ccc([C@H](C)F)cc1 39072034 166324267 /nfs/dbraw/zinc/32/42/67/166324267.db2.gz TXOQEVFBLHQIOM-ZETCQYMHSA-N 0 0 166.195 2.920 10 0 AFAERN CC(=O)c1ccc(Cl)c(C(C)=O)c1 12649199 166324910 /nfs/dbraw/zinc/32/49/10/166324910.db2.gz VOVNNNCSELMNSO-UHFFFAOYSA-N 0 0 196.633 2.745 10 0 AFAERN CC(=O)c1ccc(N(C)C(C)C)cc1 19871083 166324926 /nfs/dbraw/zinc/32/49/26/166324926.db2.gz GRHHCTKPWTUZPH-UHFFFAOYSA-N 0 0 191.274 2.734 10 0 AFAERN CC(=O)c1ccc2c(c1)CCCS2 39435815 166325172 /nfs/dbraw/zinc/32/51/72/166325172.db2.gz DUKBBJXWVAXOQT-UHFFFAOYSA-N 0 0 192.283 2.928 10 0 AFAERN CC(=O)c1ccc([C@H](O)C(C)C)cc1 83259812 166325183 /nfs/dbraw/zinc/32/51/83/166325183.db2.gz YOUODLUMPRHZCA-GFCCVEGCSA-N 0 0 192.258 2.579 10 0 AFAERN CC(=O)c1ccc2c(c1)C[C@@H](C)S2 82891653 166325196 /nfs/dbraw/zinc/32/51/96/166325196.db2.gz ZIUXLRWYQLLZDB-SSDOTTSWSA-N 0 0 192.283 2.926 10 0 AFAERN CC(=O)c1ccc2c(C)ccnc2c1 82778760 166325270 /nfs/dbraw/zinc/32/52/70/166325270.db2.gz JLOOQJWTCKNWEJ-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1ccc2c(c1)C(C)(C)CO2 34450119 166325278 /nfs/dbraw/zinc/32/52/78/166325278.db2.gz WNHBIMBVWYTQOM-UHFFFAOYSA-N 0 0 190.242 2.559 10 0 AFAERN CC(=O)c1ccc2c(c1)CCS2 39192287 166325279 /nfs/dbraw/zinc/32/52/79/166325279.db2.gz XLEUTZYFNVJGGH-UHFFFAOYSA-N 0 0 178.256 2.537 10 0 AFAERN CC(=O)c1ccc2c(c1)CC[C@@H](C)O2 82882754 166325292 /nfs/dbraw/zinc/32/52/92/166325292.db2.gz ANPAUKPGHLCPSB-MRVPVSSYSA-N 0 0 190.242 2.603 10 0 AFAERN CC(=O)c1ccc2[nH]cc(C)c2c1 72416134 166325296 /nfs/dbraw/zinc/32/52/96/166325296.db2.gz IUMDHFIAFFWXJX-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CC(=O)c1ccc2c(C)c[nH]c2c1 82399726 166325303 /nfs/dbraw/zinc/32/53/03/166325303.db2.gz BLQWYCAKZAXZLU-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CC(=O)c1ccc(NC(C)C)c(F)c1 71507061 166325345 /nfs/dbraw/zinc/32/53/45/166325345.db2.gz FNOJJDUXGKOSHC-UHFFFAOYSA-N 0 0 195.237 2.849 10 0 AFAERN CC(=O)c1ccc2c(c1)CC(C)(C)O2 51754463 166325433 /nfs/dbraw/zinc/32/54/33/166325433.db2.gz ZEANFBXNKPZPIO-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN CC(=O)c1ccc(OC(C)C)cc1C 39321380 166325481 /nfs/dbraw/zinc/32/54/81/166325481.db2.gz LYORXGGJDWDZGO-UHFFFAOYSA-N 0 0 192.258 2.985 10 0 AFAERN CC(=O)c1ccc(OC(C)C)c(C)c1 36194262 166325557 /nfs/dbraw/zinc/32/55/57/166325557.db2.gz KHCGOVURRWYPDW-UHFFFAOYSA-N 0 0 192.258 2.985 10 0 AFAERN CC(=O)c1ccc2c(c1)CC[C@H](C)O2 82882757 166325596 /nfs/dbraw/zinc/32/55/96/166325596.db2.gz ANPAUKPGHLCPSB-QMMMGPOBSA-N 0 0 190.242 2.603 10 0 AFAERN CC(=O)c1ccc(Cl)c(N(C)C)c1 82716765 166325617 /nfs/dbraw/zinc/32/56/17/166325617.db2.gz WUWDEVDGFJJXPV-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN CC(=O)c1ccc(Cc2ccco2)o1 32175225 166325630 /nfs/dbraw/zinc/32/56/30/166325630.db2.gz PGQDWYALUAAWQJ-UHFFFAOYSA-N 0 0 190.198 2.666 10 0 AFAERN CC(=O)c1ccc([C@@H](C)F)cc1 39072036 166325780 /nfs/dbraw/zinc/32/57/80/166325780.db2.gz TXOQEVFBLHQIOM-SSDOTTSWSA-N 0 0 166.195 2.920 10 0 AFAERN CC(=O)c1ccc2[nH]c(C)c(C)c2c1 82391744 166325789 /nfs/dbraw/zinc/32/57/89/166325789.db2.gz IREVZLKPAGSMAH-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1ccc2c(C)c(C)[nH]c2c1 82391738 166325810 /nfs/dbraw/zinc/32/58/10/166325810.db2.gz DATZVOOBLNELHC-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC(=O)c1ccc(NC2CC2)c(F)c1 71506264 166325892 /nfs/dbraw/zinc/32/58/92/166325892.db2.gz VAWVVVLDDPFJGV-UHFFFAOYSA-N 0 0 193.221 2.603 10 0 AFAERN CC(=O)c1ccc2c(c1)C[C@H](C)S2 82891654 166326069 /nfs/dbraw/zinc/32/60/69/166326069.db2.gz ZIUXLRWYQLLZDB-ZETCQYMHSA-N 0 0 192.283 2.926 10 0 AFAERN CC(=O)c1ccc([C@@H](O)C(C)C)cc1 83259811 166326164 /nfs/dbraw/zinc/32/61/64/166326164.db2.gz YOUODLUMPRHZCA-LBPRGKRZSA-N 0 0 192.258 2.579 10 0 AFAERN CC(=O)c1ccc(Cl)c(C)c1F 39017930 166326168 /nfs/dbraw/zinc/32/61/68/166326168.db2.gz FHUKROURONCBGL-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN CC(=O)c1ccc2c(c1)C(C)(C)CN2 82318946 166326250 /nfs/dbraw/zinc/32/62/50/166326250.db2.gz JSGXXHDRGVMRRY-UHFFFAOYSA-N 0 0 189.258 2.592 10 0 AFAERN CC(=O)c1ccc2cc(C)ccc2n1 83276316 166326721 /nfs/dbraw/zinc/32/67/21/166326721.db2.gz GJZHDJPXIBZJCR-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1cccc2c(C)ccnc12 82778759 166326937 /nfs/dbraw/zinc/32/69/37/166326937.db2.gz FYSUFAHBOBLCGX-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1cccc2occc12 39070992 166326940 /nfs/dbraw/zinc/32/69/40/166326940.db2.gz WEZAXHMVRAICCS-UHFFFAOYSA-N 0 0 160.172 2.635 10 0 AFAERN CC(=O)c1ccc2nccc(C)c2c1 82778758 166327030 /nfs/dbraw/zinc/32/70/30/166327030.db2.gz SZRYKYOLBOMGIB-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1ccc2ccc(C)nc2c1 82778740 166327038 /nfs/dbraw/zinc/32/70/38/166327038.db2.gz YWWSCWVMMGAPRT-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1ccc2snc(C)c2c1 34447802 166327100 /nfs/dbraw/zinc/32/71/00/166327100.db2.gz RXSZRHZZDWISGW-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN CC(=O)c1ccc2cccc(C)c2n1 83276315 166327243 /nfs/dbraw/zinc/32/72/43/166327243.db2.gz LQFMEUUGDIVJBJ-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1cccc2c1[C@@H](C)CC2 22005083 166327330 /nfs/dbraw/zinc/32/73/30/166327330.db2.gz PGKTWEKQDICPGB-QMMMGPOBSA-N 0 0 174.243 2.939 10 0 AFAERN CC(=O)c1ccc2c(c1)OC(C)(C)C2 82882744 166327556 /nfs/dbraw/zinc/32/75/56/166327556.db2.gz WYJBYZHFBUPZBN-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN CC(=O)c1ccc2oc(C)cc2c1 82868184 166327582 /nfs/dbraw/zinc/32/75/82/166327582.db2.gz ZUQXSDKKEKNWGA-UHFFFAOYSA-N 0 0 174.199 2.944 10 0 AFAERN CC(=O)c1cccc2c1O[C@@H](C)CC2 82882747 166327605 /nfs/dbraw/zinc/32/76/05/166327605.db2.gz XTCJUSKOYBOMEO-QMMMGPOBSA-N 0 0 190.242 2.603 10 0 AFAERN CC(=O)c1ccc2cc(F)ccc2n1 26507356 166327632 /nfs/dbraw/zinc/32/76/32/166327632.db2.gz AKOGQEAIXMHSPG-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1cccc2ccc(C)nc12 82778739 166327655 /nfs/dbraw/zinc/32/76/55/166327655.db2.gz HNUWYLCUGPLQAK-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1ccc2c(c1)O[C@@H](C)CC2 82882749 166327756 /nfs/dbraw/zinc/32/77/56/166327756.db2.gz YXXMRZRYLIDHMC-QMMMGPOBSA-N 0 0 190.242 2.603 10 0 AFAERN CC(=O)c1cccc(C)c1OC(C)C 41205933 166327819 /nfs/dbraw/zinc/32/78/19/166327819.db2.gz SMFPPZXXDQYKGJ-UHFFFAOYSA-N 0 0 192.258 2.985 10 0 AFAERN CC(=O)c1cccc2cc(C)oc12 82868181 166327829 /nfs/dbraw/zinc/32/78/29/166327829.db2.gz GAXHQQRNDHWCJJ-UHFFFAOYSA-N 0 0 174.199 2.944 10 0 AFAERN CC(=O)c1ccc2c(c1)O[C@H](C)CC2 82882748 166328051 /nfs/dbraw/zinc/32/80/51/166328051.db2.gz YXXMRZRYLIDHMC-MRVPVSSYSA-N 0 0 190.242 2.603 10 0 AFAERN CC(=O)c1ccc2occ(C)c2c1 82868185 166328071 /nfs/dbraw/zinc/32/80/71/166328071.db2.gz MALDGAWMEAJDQB-UHFFFAOYSA-N 0 0 174.199 2.944 10 0 AFAERN CC(=O)c1cccc2c1C[C@@H](C)C2 22005093 166328076 /nfs/dbraw/zinc/32/80/76/166328076.db2.gz ICQCWHGVCJELGF-QMMMGPOBSA-N 0 0 174.243 2.624 10 0 AFAERN CC(=O)c1ccc2sccc2c1O 33816619 166328109 /nfs/dbraw/zinc/32/81/09/166328109.db2.gz YUOYLURWXNTBHJ-UHFFFAOYSA-N 0 0 192.239 2.810 10 0 AFAERN CC(=O)c1cccc2c1[C@H](C)CC2 22005077 166328228 /nfs/dbraw/zinc/32/82/28/166328228.db2.gz PGKTWEKQDICPGB-MRVPVSSYSA-N 0 0 174.243 2.939 10 0 AFAERN CC(=O)c1ccc2cc(C)[nH]c2c1 82399728 166328244 /nfs/dbraw/zinc/32/82/44/166328244.db2.gz SOFYSJMTLAOOEV-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CC(=O)c1cccc2c1C[C@H](C)C2 22005089 166328285 /nfs/dbraw/zinc/32/82/85/166328285.db2.gz ICQCWHGVCJELGF-MRVPVSSYSA-N 0 0 174.243 2.624 10 0 AFAERN CC(=O)c1cccc2cnc(C)cc12 82778699 166328358 /nfs/dbraw/zinc/32/83/58/166328358.db2.gz GNXZMIZBWFQDTR-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1cccc2occ(C)c12 82868187 166328440 /nfs/dbraw/zinc/32/84/40/166328440.db2.gz CLPQZIDKSITKPI-UHFFFAOYSA-N 0 0 174.199 2.944 10 0 AFAERN CC(=O)c1cccc(C(C)C)c1O 41200378 166328465 /nfs/dbraw/zinc/32/84/65/166328465.db2.gz UFDZOCDZIJSGPL-UHFFFAOYSA-N 0 0 178.231 2.718 10 0 AFAERN CC(=O)c1ccc2oc(C)cc2c1O 75579511 166328468 /nfs/dbraw/zinc/32/84/68/166328468.db2.gz BHMMCUKKCPAQID-UHFFFAOYSA-N 0 0 190.198 2.649 10 0 AFAERN CC(=O)c1cccc2cncc(C)c12 82778700 166328506 /nfs/dbraw/zinc/32/85/06/166328506.db2.gz FHEOGQGKHIJBIM-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1ccc2cccc(F)c2n1 26507361 166328571 /nfs/dbraw/zinc/32/85/71/166328571.db2.gz BRSXOOXBGUNNKJ-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1cccc2c1O[C@H](C)CC2 82882745 166328738 /nfs/dbraw/zinc/32/87/38/166328738.db2.gz XTCJUSKOYBOMEO-MRVPVSSYSA-N 0 0 190.242 2.603 10 0 AFAERN CC(=O)c1cnc(-c2ccco2)s1 41206184 166329240 /nfs/dbraw/zinc/32/92/40/166329240.db2.gz DJEARDMDCHAAQL-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CC(=O)c1cn(C)c2cc(F)ccc12 71492572 166329245 /nfs/dbraw/zinc/32/92/45/166329245.db2.gz STHCMNUGFUHWAX-UHFFFAOYSA-N 0 0 191.205 2.520 10 0 AFAERN CC(=O)c1cn(C)c2c(F)cccc12 71492569 166329347 /nfs/dbraw/zinc/32/93/47/166329347.db2.gz XHEKQQSLWUBRKG-UHFFFAOYSA-N 0 0 191.205 2.520 10 0 AFAERN CC(=O)c1cn(C)c2ccc(F)cc12 71492558 166329395 /nfs/dbraw/zinc/32/93/95/166329395.db2.gz FUBFHBUTJGNXGH-UHFFFAOYSA-N 0 0 191.205 2.520 10 0 AFAERN CC(=O)c1cn(C)c2c(C)cccc12 71492566 166329492 /nfs/dbraw/zinc/32/94/92/166329492.db2.gz PHIDJIUDVLROLI-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN C[C@@H](Cn1cccc1)C1CC1 133585960 343922800 /nfs/dbraw/zinc/92/28/00/343922800.db2.gz JTNXBLXADMGEAQ-VIFPVBQESA-N 0 0 149.237 2.534 10 0 AFAERN CC(=O)c1ccsc1NC(C)C 306443410 166329705 /nfs/dbraw/zinc/32/97/05/166329705.db2.gz MQNVZPNOCZIIMK-UHFFFAOYSA-N 0 0 183.276 2.771 10 0 AFAERN CC(=O)c1ccnc(Cl)c1Cl 95761699 166329821 /nfs/dbraw/zinc/32/98/21/166329821.db2.gz IXDANMREKXUWMK-UHFFFAOYSA-N 0 0 190.029 2.591 10 0 AFAERN CC(=O)c1cnc(C2CCC2)s1 83123376 166330054 /nfs/dbraw/zinc/33/00/54/166330054.db2.gz KXFFDDSTFWQEMO-UHFFFAOYSA-N 0 0 181.260 2.613 10 0 AFAERN CC(=O)c1cn(C)c2cccc(F)c12 83277783 166330220 /nfs/dbraw/zinc/33/02/20/166330220.db2.gz CMEBTCZNCUHHJG-UHFFFAOYSA-N 0 0 191.205 2.520 10 0 AFAERN CC(=O)c1ccccc1OC1CCC1 50520673 166330528 /nfs/dbraw/zinc/33/05/28/166330528.db2.gz DZKVHFPWFYCPNF-UHFFFAOYSA-N 0 0 190.242 2.821 10 0 AFAERN CC(=O)c1cccn1C=C(C)C 39071416 166330718 /nfs/dbraw/zinc/33/07/18/166330718.db2.gz INPDUHMRCHDTIC-UHFFFAOYSA-N 0 0 163.220 2.571 10 0 AFAERN CC(=O)c1cccn1-c1ccccc1 39381285 166330830 /nfs/dbraw/zinc/33/08/30/166330830.db2.gz DMHWPHCHFKLNDN-UHFFFAOYSA-N 0 0 185.226 2.680 10 0 AFAERN CC(=O)c1cccn1Cc1ccccc1 85832621 166330929 /nfs/dbraw/zinc/33/09/29/166330929.db2.gz ZXKCNDMXROKKRO-UHFFFAOYSA-N 0 0 199.253 2.739 10 0 AFAERN CC(=O)c1ccn(Cc2ccccc2)c1 15014477 166331057 /nfs/dbraw/zinc/33/10/57/166331057.db2.gz JCALYQSLZRAAAB-UHFFFAOYSA-N 0 0 199.253 2.739 10 0 AFAERN CC(=O)c1ccccc1N(C)C(C)C 19871085 166331066 /nfs/dbraw/zinc/33/10/66/166331066.db2.gz NNBZEZLAYNOGIQ-UHFFFAOYSA-N 0 0 191.274 2.734 10 0 AFAERN CC(=O)c1cn(C)c2cccc(C)c12 83276932 166331155 /nfs/dbraw/zinc/33/11/55/166331155.db2.gz JAQQLIALSBBJEK-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN CC(=O)c1cnc(C)n1C1CCCC1 39112262 166331191 /nfs/dbraw/zinc/33/11/91/166331191.db2.gz XFYQJXUMNZFNQR-UHFFFAOYSA-N 0 0 192.262 2.509 10 0 AFAERN CC(=O)c1cn(C)c2cc(C)ccc12 82588136 166331387 /nfs/dbraw/zinc/33/13/87/166331387.db2.gz ZGLUAUXLPYCUHZ-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN CC(=O)c1nc(C2CC2)c(C)s1 300823051 166331688 /nfs/dbraw/zinc/33/16/88/166331688.db2.gz ZLWCXBPIXFYBSP-UHFFFAOYSA-N 0 0 181.260 2.532 10 0 AFAERN CC(=O)c1nc2c(s1)CCCCC2 45205953 166331711 /nfs/dbraw/zinc/33/17/11/166331711.db2.gz MNUGWVLBHYSXMD-UHFFFAOYSA-N 0 0 195.287 2.615 10 0 AFAERN CC(=O)c1csc(CC(C)C)n1 70848641 166331800 /nfs/dbraw/zinc/33/18/00/166331800.db2.gz DRZBYMYLCRCPAX-UHFFFAOYSA-N 0 0 183.276 2.544 10 0 AFAERN CC(=O)c1nc2cc(Cl)ccc2o1 82908363 166332043 /nfs/dbraw/zinc/33/20/43/166332043.db2.gz SVBSRYMASKDTDI-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN CC(=O)c1coc2cccc(F)c12 75883024 166332133 /nfs/dbraw/zinc/33/21/33/166332133.db2.gz DOKJFSYYSCCCCU-UHFFFAOYSA-N 0 0 178.162 2.775 10 0 AFAERN CC(=O)c1nc2c(F)cccc2s1 45236323 166332158 /nfs/dbraw/zinc/33/21/58/166332158.db2.gz IVHDDEIYAHIBKM-UHFFFAOYSA-N 0 0 195.218 2.638 10 0 AFAERN CC(=O)c1nc(C)cc2ccccc12 82778736 166332192 /nfs/dbraw/zinc/33/21/92/166332192.db2.gz MUFQUFVPOPNUFG-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1cnn(C2CCCC2)c1C 40927498 166332234 /nfs/dbraw/zinc/33/22/34/166332234.db2.gz YWOIQPRPPXCZPZ-UHFFFAOYSA-N 0 0 192.262 2.509 10 0 AFAERN CC(=O)c1nc2ccc(Cl)cc2o1 75844537 166332317 /nfs/dbraw/zinc/33/23/17/166332317.db2.gz BHCFYJVCGDRFMN-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN CC(=O)c1conc1-c1ccccc1 39419262 166332336 /nfs/dbraw/zinc/33/23/36/166332336.db2.gz MIGXFRJDFMHZTL-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN CC(=O)c1coc2c(F)ccc(F)c12 75883023 166332466 /nfs/dbraw/zinc/33/24/66/166332466.db2.gz NKJQYLFBQPDAAD-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN CC(=O)c1nc2ccc(C)cc2s1 45237607 166332568 /nfs/dbraw/zinc/33/25/68/166332568.db2.gz SNBFYAIPAYKHHZ-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN CC(=O)c1cnc2ccccc2c1C 39320747 166332623 /nfs/dbraw/zinc/33/26/23/166332623.db2.gz FBXBMGNVOLRDBM-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1coc2c(F)cc(F)cc12 75883021 166332689 /nfs/dbraw/zinc/33/26/89/166332689.db2.gz NIUHFYDAYJTKJD-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN CC(=O)c1cnoc1-c1cccs1 71506266 166332733 /nfs/dbraw/zinc/33/27/33/166332733.db2.gz NORLLSMHSIFAOR-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CC(=O)c1nc(-c2ccco2)cs1 71026765 166333003 /nfs/dbraw/zinc/33/30/03/166333003.db2.gz MMTVXQGNEXVJSR-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CC(=O)c1cnccc1-c1ccccc1 39407013 166333267 /nfs/dbraw/zinc/33/32/67/166333267.db2.gz PXSWQYVVRGOOJP-UHFFFAOYSA-N 0 0 197.237 2.951 10 0 AFAERN CC(=O)c1cnoc1-c1ccccc1 71499986 166333291 /nfs/dbraw/zinc/33/32/91/166333291.db2.gz GAWMEALSAGEDJR-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN CC(=O)c1cncc(-c2ccccc2)c1 41208983 166333336 /nfs/dbraw/zinc/33/33/36/166333336.db2.gz SNFAKZIKXPWSQC-UHFFFAOYSA-N 0 0 197.237 2.951 10 0 AFAERN CC(=O)c1csc(-c2ccco2)n1 71506267 166333376 /nfs/dbraw/zinc/33/33/76/166333376.db2.gz UVGLPUQGTBWCOO-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CC(=O)c1nc2cc(C)ccc2s1 45237410 166333412 /nfs/dbraw/zinc/33/34/12/166333412.db2.gz QUXKQUGQMQEYEH-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN CC(=O)c1nc2ccc(F)cc2s1 45236327 166333432 /nfs/dbraw/zinc/33/34/32/166333432.db2.gz GUNCTJJQHILPGA-UHFFFAOYSA-N 0 0 195.218 2.638 10 0 AFAERN CC(=O)c1nc(C)c(C(C)(C)C)s1 45205547 166333453 /nfs/dbraw/zinc/33/34/53/166333453.db2.gz SCYKDCXEBMUDGH-UHFFFAOYSA-N 0 0 197.303 2.952 10 0 AFAERN CC(=O)c1csc(C2CCC2)n1 83123382 166333509 /nfs/dbraw/zinc/33/35/09/166333509.db2.gz MADQJFDXKFIOEP-UHFFFAOYSA-N 0 0 181.260 2.613 10 0 AFAERN CC(=O)c1nc(CC2CC2)sc1C 306645774 166333513 /nfs/dbraw/zinc/33/35/13/166333513.db2.gz CPMKYZQWIJOWEH-UHFFFAOYSA-N 0 0 195.287 2.607 10 0 AFAERN CC(=O)c1nc2c(s1)CCC2(C)C 86867462 166333569 /nfs/dbraw/zinc/33/35/69/166333569.db2.gz IYZAHLQGHBXDGZ-UHFFFAOYSA-N 0 0 195.287 2.570 10 0 AFAERN CC(=O)c1nc(C2CC2)sc1C 306820102 166333710 /nfs/dbraw/zinc/33/37/10/166333710.db2.gz DIIJFYYWJSFNGE-UHFFFAOYSA-N 0 0 181.260 2.532 10 0 AFAERN CC(=O)c1nc(C(C)C)c(C)s1 71026748 166333724 /nfs/dbraw/zinc/33/37/24/166333724.db2.gz VAAXTDMDZFQFCR-UHFFFAOYSA-N 0 0 183.276 2.778 10 0 AFAERN CC(=O)c1nc(C2CCC2)sc1C 306663348 166333844 /nfs/dbraw/zinc/33/38/44/166333844.db2.gz QSKAYTCHQFFASX-UHFFFAOYSA-N 0 0 195.287 2.922 10 0 AFAERN CC(=O)c1coc2cc(F)cc(F)c12 75883025 166333950 /nfs/dbraw/zinc/33/39/50/166333950.db2.gz OWQIBNQSYJBWLH-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN CC(=O)c1csc(NC(C)(C)C)n1 71507729 166334029 /nfs/dbraw/zinc/33/40/29/166334029.db2.gz QIJJKIYRUBPOPT-UHFFFAOYSA-N 0 0 198.291 2.556 10 0 AFAERN CC(=O)c1nc2cc(F)ccc2s1 45236325 166334125 /nfs/dbraw/zinc/33/41/25/166334125.db2.gz WVEBKAXFNDIIMZ-UHFFFAOYSA-N 0 0 195.218 2.638 10 0 AFAERN CC(=O)c1scc2c1CCCC2 1673727 166334532 /nfs/dbraw/zinc/33/45/32/166334532.db2.gz BIFIANXMFHMHFE-UHFFFAOYSA-N 0 0 180.272 2.830 10 0 AFAERN CC(=O)c1noc2ccc(Cl)cc12 82908364 166334807 /nfs/dbraw/zinc/33/48/07/166334807.db2.gz ZQJCCCYWMFNHOJ-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN CC(=O)c1sc(N)cc1C(C)C 82393841 166334938 /nfs/dbraw/zinc/33/49/38/166334938.db2.gz MTUZUSVNKCYFEY-UHFFFAOYSA-N 0 0 183.276 2.656 10 0 AFAERN CC(=O)c1nccc2ccc(C)cc12 82778701 166335067 /nfs/dbraw/zinc/33/50/67/166335067.db2.gz LNSMPYLTCOVTPY-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1nc2cccc(F)c2s1 45236330 166335232 /nfs/dbraw/zinc/33/52/32/166335232.db2.gz UAGDOVCFOMZLIV-UHFFFAOYSA-N 0 0 195.218 2.638 10 0 AFAERN CC(=O)c1nccc2cccc(F)c12 82778730 166335396 /nfs/dbraw/zinc/33/53/96/166335396.db2.gz ZFCBPOMJPQFOFM-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1nccc2cccc(C)c12 82778729 166335426 /nfs/dbraw/zinc/33/54/26/166335426.db2.gz CKAXQKVBRKLGIL-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1nccc2c(C)cccc12 82778702 166335429 /nfs/dbraw/zinc/33/54/29/166335429.db2.gz DAOKXBNSKSCJLP-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=O)c1oc2cc(C)sc2c1N 75598010 166335497 /nfs/dbraw/zinc/33/54/97/166335497.db2.gz SFHUJYDUXMZPKB-UHFFFAOYSA-N 0 0 195.243 2.588 10 0 AFAERN CC(=O)c1sc(CC(C)C)nc1C 40993739 166335501 /nfs/dbraw/zinc/33/55/01/166335501.db2.gz AKJVVSUWHXERJY-UHFFFAOYSA-N 0 0 197.303 2.853 10 0 AFAERN CC(=O)c1occ2ccccc12 79373631 166335686 /nfs/dbraw/zinc/33/56/86/166335686.db2.gz YTOWFBGUFBDPIQ-UHFFFAOYSA-N 0 0 160.172 2.635 10 0 AFAERN CC(=O)c1nccc2ccc(F)cc12 82778705 166335713 /nfs/dbraw/zinc/33/57/13/166335713.db2.gz FCXMCTGZCWDKPR-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1oc2c(O)cccc2c1C 75579514 166335839 /nfs/dbraw/zinc/33/58/39/166335839.db2.gz MOEBJHBISIWJSV-UHFFFAOYSA-N 0 0 190.198 2.649 10 0 AFAERN CC(=O)c1scc2c1CCSC2 82384263 166335942 /nfs/dbraw/zinc/33/59/42/166335942.db2.gz IJONXPSETSRZBN-UHFFFAOYSA-N 0 0 198.312 2.740 10 0 AFAERN CC(=O)c1nccc2c(F)cccc12 82778704 166336065 /nfs/dbraw/zinc/33/60/65/166336065.db2.gz XQQZGNGUFGMAGF-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CC(=O)c1oc(C)cc1C(C)C 5378899 166336099 /nfs/dbraw/zinc/33/60/99/166336099.db2.gz WODXWJYXWVJPHF-UHFFFAOYSA-N 0 0 166.220 2.914 10 0 AFAERN CC(=O)c1nccc2cc(C)ccc12 82778703 166336253 /nfs/dbraw/zinc/33/62/53/166336253.db2.gz CXOKIHJDLGEHIV-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(=S)OCc1ccccc1 15204649 166337050 /nfs/dbraw/zinc/33/70/50/166337050.db2.gz MNMWCDPRBHPWAW-UHFFFAOYSA-N 0 0 166.245 2.551 10 0 AFAERN CC(=O)n1ccc2c(C)cccc21 39594504 166337101 /nfs/dbraw/zinc/33/71/01/166337101.db2.gz NDTJCEOUUUREQF-UHFFFAOYSA-N 0 0 173.215 2.610 10 0 AFAERN CC(=O)c1sccc1C1CC1 82402821 166337162 /nfs/dbraw/zinc/33/71/62/166337162.db2.gz FCOYNGAVHBJSGV-UHFFFAOYSA-N 0 0 166.245 2.828 10 0 AFAERN CC(=O)n1ccc2ccc(C)cc21 39594501 166337957 /nfs/dbraw/zinc/33/79/57/166337957.db2.gz QYEGNXQXGDOYCK-UHFFFAOYSA-N 0 0 173.215 2.610 10 0 AFAERN CC(=O)n1c(=S)oc2ccccc21 5726516 166338150 /nfs/dbraw/zinc/33/81/50/166338150.db2.gz FGVKQXBBZMPEIF-UHFFFAOYSA-N 0 0 193.227 2.624 10 0 AFAERN CC(=S)N(C)c1ccc(C)cc1 39124623 166338260 /nfs/dbraw/zinc/33/82/60/166338260.db2.gz KNDOLKGHLCGWJA-UHFFFAOYSA-N 0 0 179.288 2.779 10 0 AFAERN CC(=O)n1ccc2cc(C)ccc21 34088847 166338777 /nfs/dbraw/zinc/33/87/77/166338777.db2.gz XOEOBALOPJFJOV-UHFFFAOYSA-N 0 0 173.215 2.610 10 0 AFAERN CC(=S)N(C)c1cccs1 39038532 166338957 /nfs/dbraw/zinc/33/89/57/166338957.db2.gz LSHALEHGMDBMGL-UHFFFAOYSA-N 0 0 171.290 2.532 10 0 AFAERN CC(C)(C)/C=C/[C@@H]1CCC(=O)C1 256735339 166343103 /nfs/dbraw/zinc/34/31/03/166343103.db2.gz ZOLYLMQOJJWTCD-UCUJLANTSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)(C)/C=C/[C@H]1CCC(=O)C1 256735345 166343138 /nfs/dbraw/zinc/34/31/38/166343138.db2.gz ZOLYLMQOJJWTCD-XCODYQFDSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)(C)/C=C1/CC(C)(C)C(=O)O1 104844519 166343596 /nfs/dbraw/zinc/34/35/96/166343596.db2.gz BLSFBNLBEBQDNH-VURMDHGXSA-N 0 0 182.263 2.890 10 0 AFAERN CC(C)(C)C(=O)c1cc(F)ccc1N 75855020 166344306 /nfs/dbraw/zinc/34/43/06/166344306.db2.gz RCFNMVORPHOUFC-UHFFFAOYSA-N 0 0 195.237 2.637 10 0 AFAERN CC(C)(C)C(=O)c1ccncc1Cl 95936276 166344550 /nfs/dbraw/zinc/34/45/50/166344550.db2.gz FESITMJOKPBVDA-UHFFFAOYSA-N 0 0 197.665 2.964 10 0 AFAERN CC(C)(C)C(=O)Oc1ccc(F)cc1 40883957 166344800 /nfs/dbraw/zinc/34/48/00/166344800.db2.gz FZQPFMBCWMZTEH-UHFFFAOYSA-N 0 0 196.221 2.777 10 0 AFAERN CC(C)(C)C(=O)Sc1ccncc1 34087712 166345031 /nfs/dbraw/zinc/34/50/31/166345031.db2.gz AKDTXEUXWAWSFV-UHFFFAOYSA-N 0 0 195.287 2.746 10 0 AFAERN CC(C)(C)C(=O)c1ccsc1 34370746 166345032 /nfs/dbraw/zinc/34/50/32/166345032.db2.gz QKTWDBVWIGVKQX-UHFFFAOYSA-N 0 0 168.261 2.977 10 0 AFAERN CC(C)(C)C(=O)c1ccc(C=O)cc1 49806566 166345214 /nfs/dbraw/zinc/34/52/14/166345214.db2.gz BOWWOQYXAHZLJO-UHFFFAOYSA-N 0 0 190.242 2.728 10 0 AFAERN CC(C)(C)C(=O)c1cccc(C=O)c1 49806567 166345355 /nfs/dbraw/zinc/34/53/55/166345355.db2.gz YOVZTTLHXDVJMY-UHFFFAOYSA-N 0 0 190.242 2.728 10 0 AFAERN CC(C)(C)C(=O)c1cccc(O)c1 75854809 166345639 /nfs/dbraw/zinc/34/56/39/166345639.db2.gz QVVRDWMJLGRYGK-UHFFFAOYSA-N 0 0 178.231 2.621 10 0 AFAERN CC(C)(C)C(=O)c1ccccc1O 35874418 166345697 /nfs/dbraw/zinc/34/56/97/166345697.db2.gz DATBOQDYGBLGAR-UHFFFAOYSA-N 0 0 178.231 2.621 10 0 AFAERN CC(C)(C)C(C)(C)C(=O)NC1CCC1 335980503 166346242 /nfs/dbraw/zinc/34/62/42/166346242.db2.gz XVRYZQPLSFEXOG-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)(C)C(CO)C(C)(C)C 2535492 166347329 /nfs/dbraw/zinc/34/73/29/166347329.db2.gz 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CC(C)(C)Oc1[nH]c(=S)ccc1N 37181198 166372768 /nfs/dbraw/zinc/37/27/68/166372768.db2.gz WRPNMXAYECKBLB-UHFFFAOYSA-N 0 0 198.291 2.504 10 0 AFAERN CC(C)(C)O[C@H](C[NH3+])c1ccsc1 43125305 166372773 /nfs/dbraw/zinc/37/27/73/166372773.db2.gz ZBJFJPXXBVKDLU-SECBINFHSA-N 0 0 199.319 2.563 10 0 AFAERN CC(C)(C)O[C@H](C[NH3+])c1cccs1 43110749 166372791 /nfs/dbraw/zinc/37/27/91/166372791.db2.gz CJHUEXPIGNKETP-MRVPVSSYSA-N 0 0 199.319 2.563 10 0 AFAERN CC(C)(C)OCc1cccc(N)c1F 75915358 166373032 /nfs/dbraw/zinc/37/30/32/166373032.db2.gz XCBUNJYWUQZEOW-UHFFFAOYSA-N 0 0 197.253 2.723 10 0 AFAERN CC(C)(C)Oc1ccc(O)cc1F 95710117 166373126 /nfs/dbraw/zinc/37/31/26/166373126.db2.gz KLILYKMJRDSWIM-UHFFFAOYSA-N 0 0 184.210 2.709 10 0 AFAERN CC(C)(C)OCc1cc(F)ccc1N 35308838 166373169 /nfs/dbraw/zinc/37/31/69/166373169.db2.gz YVRLWXLMNRTBKD-UHFFFAOYSA-N 0 0 197.253 2.723 10 0 AFAERN CC(C)(C)Oc1ccc(F)cc1C=O 37234822 166373204 /nfs/dbraw/zinc/37/32/04/166373204.db2.gz MCXSCTMPCKZVPC-UHFFFAOYSA-N 0 0 196.221 2.816 10 0 AFAERN CC(C)(C)Oc1ccc(Cl)nc1 95709749 166373226 /nfs/dbraw/zinc/37/32/26/166373226.db2.gz KAHLUKPLTDCWGF-UHFFFAOYSA-N 0 0 185.654 2.912 10 0 AFAERN CC(C)(C)OC[C@@H]([NH3+])c1ccccc1 20510776 166373333 /nfs/dbraw/zinc/37/33/33/166373333.db2.gz XRXCWPWRRPBJPA-LLVKDONJSA-N 0 0 193.290 2.502 10 0 AFAERN CC(C)(C)Oc1cc(F)ccc1O 95709992 166373510 /nfs/dbraw/zinc/37/35/10/166373510.db2.gz WIUOBWLICBVLIZ-UHFFFAOYSA-N 0 0 184.210 2.709 10 0 AFAERN CC(C)(C)Oc1ccc(C=O)cc1F 20517162 166373532 /nfs/dbraw/zinc/37/35/32/166373532.db2.gz CLLDPFPAXYIGTQ-UHFFFAOYSA-N 0 0 196.221 2.816 10 0 AFAERN CC(C)(C)OC[C@H]1CCCC(=O)C1 104837119 166373566 /nfs/dbraw/zinc/37/35/66/166373566.db2.gz GABCQPZLKDNZOJ-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)(C)ONc1c[nH]ccc1=S 39117290 166373572 /nfs/dbraw/zinc/37/35/72/166373572.db2.gz LWRVJGMKJWIBLB-UHFFFAOYSA-N 0 0 198.291 2.886 10 0 AFAERN CC(C)(C)OCCc1ccccc1N 52919008 166373643 /nfs/dbraw/zinc/37/36/43/166373643.db2.gz XVWAIFTVCVCKLM-UHFFFAOYSA-N 0 0 193.290 2.626 10 0 AFAERN CC(C)(C)O[C@@H](C[NH3+])c1ccsc1 43125304 166373744 /nfs/dbraw/zinc/37/37/44/166373744.db2.gz ZBJFJPXXBVKDLU-VIFPVBQESA-N 0 0 199.319 2.563 10 0 AFAERN CC(C)(C)Oc1ccc(F)c(N)c1 75881752 166373803 /nfs/dbraw/zinc/37/38/03/166373803.db2.gz PNQGFENHCOXNBM-UHFFFAOYSA-N 0 0 183.226 2.585 10 0 AFAERN CC(C)(C)Oc1cc(N)ccc1F 75881753 166373848 /nfs/dbraw/zinc/37/38/48/166373848.db2.gz ZWVGMIKDYKWOHJ-UHFFFAOYSA-N 0 0 183.226 2.585 10 0 AFAERN CC(C)(C)Oc1ccc(C=O)s1 39383230 166373976 /nfs/dbraw/zinc/37/39/76/166373976.db2.gz YBDIITZERKHFOB-UHFFFAOYSA-N 0 0 184.260 2.738 10 0 AFAERN CC(C)(C)OCCOC(C)(C)C 5353732 166374142 /nfs/dbraw/zinc/37/41/42/166374142.db2.gz KWGJJEBPCVMBIG-UHFFFAOYSA-N 0 0 174.284 2.617 10 0 AFAERN CC(C)(C)OC[C@H]([NH3+])c1ccccc1 20510778 166374187 /nfs/dbraw/zinc/37/41/87/166374187.db2.gz XRXCWPWRRPBJPA-NSHDSACASA-N 0 0 193.290 2.502 10 0 AFAERN CC(C)(C)Oc1ccc2[nH]ccc2n1 34337747 166374368 /nfs/dbraw/zinc/37/43/68/166374368.db2.gz ZTLPHDKBDBRZER-UHFFFAOYSA-N 0 0 190.246 2.740 10 0 AFAERN CC(C)(C)Oc1c(O)cccc1F 95709961 166374418 /nfs/dbraw/zinc/37/44/18/166374418.db2.gz IJJZULYYJHMCFL-UHFFFAOYSA-N 0 0 184.210 2.709 10 0 AFAERN CC(C)(C)Oc1cccc(F)c1O 95710154 166374819 /nfs/dbraw/zinc/37/48/19/166374819.db2.gz UDUVILVLJGARJT-UHFFFAOYSA-N 0 0 184.210 2.709 10 0 AFAERN CC(C)(C)Oc1cccnc1Cl 95709743 166374847 /nfs/dbraw/zinc/37/48/47/166374847.db2.gz WFPCYUIUYILURP-UHFFFAOYSA-N 0 0 185.654 2.912 10 0 AFAERN CC(C)(C)Oc1sccc1C=O 96190543 166374848 /nfs/dbraw/zinc/37/48/48/166374848.db2.gz XRMBCXCOXRNMPC-UHFFFAOYSA-N 0 0 184.260 2.738 10 0 AFAERN CC(C)(C)Oc1cncc(Cl)c1 95709747 166374883 /nfs/dbraw/zinc/37/48/83/166374883.db2.gz INJRTPXVZIJODE-UHFFFAOYSA-N 0 0 185.654 2.912 10 0 AFAERN CC(C)(C)Oc1cccs1 2015182 166374903 /nfs/dbraw/zinc/37/49/03/166374903.db2.gz ODCBXCLIDZAKHW-UHFFFAOYSA-N 0 0 156.250 2.925 10 0 AFAERN CC(C)(C)Oc1ccnc(Cl)c1 82605445 166374972 /nfs/dbraw/zinc/37/49/72/166374972.db2.gz FHFRAORDFDWYFY-UHFFFAOYSA-N 0 0 185.654 2.912 10 0 AFAERN CC(C)(C)Oc1cccc(O)c1 39245153 166375049 /nfs/dbraw/zinc/37/50/49/166375049.db2.gz ZTMXCTDRYVPSDS-UHFFFAOYSA-N 0 0 166.220 2.570 10 0 AFAERN CC(C)(C)Oc1cccc(O)c1F 95710171 166375101 /nfs/dbraw/zinc/37/51/01/166375101.db2.gz ICUKVVQDQZKJRD-UHFFFAOYSA-N 0 0 184.210 2.709 10 0 AFAERN CC(C)(C)Oc1cnccc1Cl 95709745 166375159 /nfs/dbraw/zinc/37/51/59/166375159.db2.gz SCSJPCCNWQKTSM-UHFFFAOYSA-N 0 0 185.654 2.912 10 0 AFAERN CC(C)(C)[C@@H]1CCC[C@H](O)C1 39252764 166375522 /nfs/dbraw/zinc/37/55/22/166375522.db2.gz NPURTPKIWWAXOG-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)[C@@H]1CCc2ncncc2C1 169318170 166375790 /nfs/dbraw/zinc/37/57/90/166375790.db2.gz CSYIBSDTFCOMKO-SNVBAGLBSA-N 0 0 190.290 2.628 10 0 AFAERN CC(C)(C)[C@@H](NC=O)c1ccccc1 83145283 166375864 /nfs/dbraw/zinc/37/58/64/166375864.db2.gz XSSMCMZEOKJTPX-NSHDSACASA-N 0 0 191.274 2.520 10 0 AFAERN CC(C)(C)[C@@H](O)CNc1ccccc1 39075026 166375874 /nfs/dbraw/zinc/37/58/74/166375874.db2.gz BQLWYMSNPOKMNR-NSHDSACASA-N 0 0 193.290 2.506 10 0 AFAERN CC(C)(C)[C@@H](O)c1ccccc1F 41202106 166375917 /nfs/dbraw/zinc/37/59/17/166375917.db2.gz LWRPIZPJJLRKRI-JTQLQIEISA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)(C)[C@@H](NO)c1ccccc1 8700239 166376155 /nfs/dbraw/zinc/37/61/55/166376155.db2.gz OINYKYMNWKWMBV-JTQLQIEISA-N 0 0 179.263 2.753 10 0 AFAERN CC(C)(C)[C@@H](O)Cc1ccccc1F 37465634 166376194 /nfs/dbraw/zinc/37/61/94/166376194.db2.gz ZMCFRGNXUNKKIX-NSHDSACASA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)(C)[C@@H](O)c1ccsc1 52231700 166376231 /nfs/dbraw/zinc/37/62/31/166376231.db2.gz JLOKYNCMVBONPS-QMMMGPOBSA-N 0 0 170.277 2.828 10 0 AFAERN CC(C)(C)[C@@H](O)c1ccc(Cl)nc1 34604507 166376331 /nfs/dbraw/zinc/37/63/31/166376331.db2.gz XGWPXLYQBGEZCD-VIFPVBQESA-N 0 0 199.681 2.815 10 0 AFAERN CC(C)(C)[C@@H](O)c1ccc(F)cc1 37465619 166376474 /nfs/dbraw/zinc/37/64/74/166376474.db2.gz UFYNYGBTNCXVNT-JTQLQIEISA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)(C)[C@H]1CC[C@@H](CO)CC1 100056817 166376494 /nfs/dbraw/zinc/37/64/94/166376494.db2.gz GGWBQKOXLMPNMS-MGCOHNPYSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)(C)[C@@H]1CCCCC(=O)O1 5354140 166376588 /nfs/dbraw/zinc/37/65/88/166376588.db2.gz GFKHGDDHRNDUDP-QMMMGPOBSA-N 0 0 170.252 2.518 10 0 AFAERN CC(C)(C)[C@H]1CC[C@H](CO)CC1 100057329 166376633 /nfs/dbraw/zinc/37/66/33/166376633.db2.gz GGWBQKOXLMPNMS-AOOOYVTPSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)(C)[C@@H](O)C1=CCCC1 50329104 166376747 /nfs/dbraw/zinc/37/67/47/166376747.db2.gz DPHUYVMEIWOPIT-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)(C)[C@@H](O)c1cccc(F)c1 37465652 166376774 /nfs/dbraw/zinc/37/67/74/166376774.db2.gz FSSUTHSVCHDTCG-JTQLQIEISA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)(C)[C@@H]1CCC[C@@H](O)C1 39252765 166376943 /nfs/dbraw/zinc/37/69/43/166376943.db2.gz NPURTPKIWWAXOG-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)[C@@H](O)Cc1ccc(F)cc1 37465612 166376955 /nfs/dbraw/zinc/37/69/55/166376955.db2.gz LVVQHUIKOLKBEL-NSHDSACASA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)(C)[C@@H]1CNc2ccccc2O1 75883320 166376996 /nfs/dbraw/zinc/37/69/96/166376996.db2.gz MZWIVGSOEPGEHA-NSHDSACASA-N 0 0 191.274 2.906 10 0 AFAERN CC(C)(C)[C@@H](O)c1cccs1 38324948 166377148 /nfs/dbraw/zinc/37/71/48/166377148.db2.gz XTXKTBBFPFQLGE-QMMMGPOBSA-N 0 0 170.277 2.828 10 0 AFAERN CC(C)(C)[C@@H]1CCCC2(C1)OCCO2 38614343 166377354 /nfs/dbraw/zinc/37/73/54/166377354.db2.gz NPSDJGXZMLTNLN-SNVBAGLBSA-N 0 0 198.306 2.966 10 0 AFAERN CC(C)(C)[C@@H](O)C1=CCCCC1 50328795 166377532 /nfs/dbraw/zinc/37/75/32/166377532.db2.gz SFDMZXYSCQTFPA-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)[C@@H](O)Cc1cccc(F)c1 37465664 166377605 /nfs/dbraw/zinc/37/76/05/166377605.db2.gz NNVBLCYFBZGBIT-NSHDSACASA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)(C)[C@H](O)C1=CCCC1 50329103 166377983 /nfs/dbraw/zinc/37/79/83/166377983.db2.gz DPHUYVMEIWOPIT-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)(C)[C@H](NC=O)c1ccccc1 83145282 166377985 /nfs/dbraw/zinc/37/79/85/166377985.db2.gz XSSMCMZEOKJTPX-LLVKDONJSA-N 0 0 191.274 2.520 10 0 AFAERN CC(C)(C)[C@H](O)c1cccs1 40237819 166377999 /nfs/dbraw/zinc/37/79/99/166377999.db2.gz XTXKTBBFPFQLGE-MRVPVSSYSA-N 0 0 170.277 2.828 10 0 AFAERN CC(C)(C)[C@@H]1OCc2ccccc2O1 39120039 166378707 /nfs/dbraw/zinc/37/87/07/166378707.db2.gz LIKDYCBBRLZVIL-LLVKDONJSA-N 0 0 192.258 2.968 10 0 AFAERN CC(C)(C)[C@H](O)CNc1ccccc1 39075025 166378824 /nfs/dbraw/zinc/37/88/24/166378824.db2.gz BQLWYMSNPOKMNR-LLVKDONJSA-N 0 0 193.290 2.506 10 0 AFAERN CC(C)(C)[C@H](O)c1ccc(Cl)nc1 34604505 166378888 /nfs/dbraw/zinc/37/88/88/166378888.db2.gz XGWPXLYQBGEZCD-SECBINFHSA-N 0 0 199.681 2.815 10 0 AFAERN CC(C)(C)[C@H](NO)c1ccccc1 8700238 166378901 /nfs/dbraw/zinc/37/89/01/166378901.db2.gz OINYKYMNWKWMBV-SNVBAGLBSA-N 0 0 179.263 2.753 10 0 AFAERN CC(C)(C)[C@H](O)Cc1ccc(F)cc1 37465610 166379020 /nfs/dbraw/zinc/37/90/20/166379020.db2.gz LVVQHUIKOLKBEL-LLVKDONJSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)(C)[C@H](O)C1=CCCCC1 50328794 166379059 /nfs/dbraw/zinc/37/90/59/166379059.db2.gz SFDMZXYSCQTFPA-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)[C@H](O)c1ccsc1 52231698 166379240 /nfs/dbraw/zinc/37/92/40/166379240.db2.gz JLOKYNCMVBONPS-MRVPVSSYSA-N 0 0 170.277 2.828 10 0 AFAERN CC(C)(C)[C@H](CO)Nc1ccccc1 41051955 166379587 /nfs/dbraw/zinc/37/95/87/166379587.db2.gz IVVJKMBSJMZCQQ-NSHDSACASA-N 0 0 193.290 2.506 10 0 AFAERN CC(C)(C)[C@H](O)Cc1cccc(F)c1 37465662 166379632 /nfs/dbraw/zinc/37/96/32/166379632.db2.gz NNVBLCYFBZGBIT-LLVKDONJSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)(C)[C@H](O)c1ccc(F)cc1 37465618 166379663 /nfs/dbraw/zinc/37/96/63/166379663.db2.gz UFYNYGBTNCXVNT-SNVBAGLBSA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)(C)[C@H](O)Cc1ccccc1F 37465631 166379678 /nfs/dbraw/zinc/37/96/78/166379678.db2.gz ZMCFRGNXUNKKIX-LLVKDONJSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)(C)[C@H](O)c1ccccc1F 41202103 166379793 /nfs/dbraw/zinc/37/97/93/166379793.db2.gz LWRPIZPJJLRKRI-SNVBAGLBSA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)(C)[C@@](C)(O)C1CCC1 18678898 166379816 /nfs/dbraw/zinc/37/98/16/166379816.db2.gz AMDUWLCCNAXQST-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)[C@H](O)c1cccc(F)c1 37465650 166379968 /nfs/dbraw/zinc/37/99/68/166379968.db2.gz FSSUTHSVCHDTCG-SNVBAGLBSA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)(C)[C@H]1CCC[C@H](O)C1 36466301 166380184 /nfs/dbraw/zinc/38/01/84/166380184.db2.gz NPURTPKIWWAXOG-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)[C@H]1CCC[C@@H](O)C1 39252766 166380644 /nfs/dbraw/zinc/38/06/44/166380644.db2.gz NPURTPKIWWAXOG-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)[C@](C)(O)C1CCC1 18678900 166380798 /nfs/dbraw/zinc/38/07/98/166380798.db2.gz AMDUWLCCNAXQST-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)c1c(O)ccc2c1CCO2 25976978 166380935 /nfs/dbraw/zinc/38/09/35/166380935.db2.gz DJRSGLVTWSQESU-UHFFFAOYSA-N 0 0 192.258 2.625 10 0 AFAERN CC(C)(C)[C@H]1CCc2ncncc2C1 169318171 166381068 /nfs/dbraw/zinc/38/10/68/166381068.db2.gz CSYIBSDTFCOMKO-JTQLQIEISA-N 0 0 190.290 2.628 10 0 AFAERN CC(C)(C)c1n[nH]c2c1CCCC2 8684184 166381181 /nfs/dbraw/zinc/38/11/81/166381181.db2.gz TZPWRACRVXDOON-UHFFFAOYSA-N 0 0 178.279 2.586 10 0 AFAERN CC(C)(C)c1c(O)cccc1C=O 88244022 166381268 /nfs/dbraw/zinc/38/12/68/166381268.db2.gz OPKCYHUJMQNZJV-UHFFFAOYSA-N 0 0 178.231 2.502 10 0 AFAERN CC(C)(C)[C@H]1CNc2ccccc2O1 75883321 166381468 /nfs/dbraw/zinc/38/14/68/166381468.db2.gz MZWIVGSOEPGEHA-LLVKDONJSA-N 0 0 191.274 2.906 10 0 AFAERN CC(C)(C)[Si](C)(C)c1ccccn1 197991534 166381527 /nfs/dbraw/zinc/38/15/27/166381527.db2.gz LEPGICAYNVWABV-UHFFFAOYSA-N 0 0 193.366 2.797 10 0 AFAERN CC(C)(C)[C@H]1CCCC2(C1)OCCO2 38614345 166381992 /nfs/dbraw/zinc/38/19/92/166381992.db2.gz NPSDJGXZMLTNLN-JTQLQIEISA-N 0 0 198.306 2.966 10 0 AFAERN CC(C)(C)[C@H]1CCCCC(=O)O1 5354688 166382057 /nfs/dbraw/zinc/38/20/57/166382057.db2.gz GFKHGDDHRNDUDP-MRVPVSSYSA-N 0 0 170.252 2.518 10 0 AFAERN CC(C)(C)[C@H]1OCc2ccccc2O1 39120041 166382103 /nfs/dbraw/zinc/38/21/03/166382103.db2.gz LIKDYCBBRLZVIL-NSHDSACASA-N 0 0 192.258 2.968 10 0 AFAERN CC(C)(C)c1cc(N)c(Cl)cn1 95642680 166382834 /nfs/dbraw/zinc/38/28/34/166382834.db2.gz GCQCMKGAMQPXNE-UHFFFAOYSA-N 0 0 184.670 2.615 10 0 AFAERN CC(C)(C)c1ccc(/C=C/CO)cc1 77275499 166383032 /nfs/dbraw/zinc/38/30/32/166383032.db2.gz RPMMXQDNPXDFDN-SNAWJCMRSA-N 0 0 190.286 2.990 10 0 AFAERN CC(C)(C)c1cc2c(cc1O)CCO2 25972223 166383462 /nfs/dbraw/zinc/38/34/62/166383462.db2.gz KIENDJSLDKQQSL-UHFFFAOYSA-N 0 0 192.258 2.625 10 0 AFAERN CC(C)(C)c1ccc(CCO)s1 62719412 166383498 /nfs/dbraw/zinc/38/34/98/166383498.db2.gz BNMMIJXCIIGEBC-UHFFFAOYSA-N 0 0 184.304 2.580 10 0 AFAERN CC(C)(C)c1cc(O)ccc1F 60288235 166383522 /nfs/dbraw/zinc/38/35/22/166383522.db2.gz IFNFAYWPMAKVDF-UHFFFAOYSA-N 0 0 168.211 2.829 10 0 AFAERN CC(C)(C)c1ccc(OC2CC2)cn1 95721627 166383624 /nfs/dbraw/zinc/38/36/24/166383624.db2.gz INCLNOWRJSZKQM-UHFFFAOYSA-N 0 0 191.274 2.920 10 0 AFAERN CC(C)(C)c1cc(Cl)c(N)cn1 95762178 166383912 /nfs/dbraw/zinc/38/39/12/166383912.db2.gz AXJKIFCNGLVNSC-UHFFFAOYSA-N 0 0 184.670 2.615 10 0 AFAERN CC(C)(C)c1ccc(N)c(Cl)n1 95762447 166383954 /nfs/dbraw/zinc/38/39/54/166383954.db2.gz LLCQBTVEQGFDNP-UHFFFAOYSA-N 0 0 184.670 2.615 10 0 AFAERN CC(C)(C)c1ccc(O)c(Cl)n1 117037530 166383990 /nfs/dbraw/zinc/38/39/90/166383990.db2.gz UDXFEXHBUJECDT-UHFFFAOYSA-N 0 0 185.654 2.738 10 0 AFAERN CC(C)(C)c1ccc(F)c(O)c1 95709863 166384027 /nfs/dbraw/zinc/38/40/27/166384027.db2.gz ZCKYNPRJKXKLFR-UHFFFAOYSA-N 0 0 168.211 2.829 10 0 AFAERN CC(C)(C)c1cc(O)cc2c1OCC2 34236178 166384040 /nfs/dbraw/zinc/38/40/40/166384040.db2.gz LKGMTINPOLVOCF-UHFFFAOYSA-N 0 0 192.258 2.625 10 0 AFAERN CC(C)(C)c1cc2ccccn2c1N 71477160 166384070 /nfs/dbraw/zinc/38/40/70/166384070.db2.gz MBWOTAKQWAAYEJ-UHFFFAOYSA-N 0 0 188.274 2.819 10 0 AFAERN CC(C)(C)c1ccc(F)c(F)n1 95762452 166384135 /nfs/dbraw/zinc/38/41/35/166384135.db2.gz SCUIZXXMJIRECS-UHFFFAOYSA-N 0 0 171.190 2.657 10 0 AFAERN CC(C)(C)c1ccc(F)cc1O 95709865 166384194 /nfs/dbraw/zinc/38/41/94/166384194.db2.gz LIXGHTBFMWLFQF-UHFFFAOYSA-N 0 0 168.211 2.829 10 0 AFAERN CC(C)(C)c1cc(OC2CC2)ccn1 95723055 166384218 /nfs/dbraw/zinc/38/42/18/166384218.db2.gz GGAKIZWLMYTILZ-UHFFFAOYSA-N 0 0 191.274 2.920 10 0 AFAERN CC(C)(C)c1ccc(NO)cc1 34241630 166384434 /nfs/dbraw/zinc/38/44/34/166384434.db2.gz MWGAXCKOSVIITB-UHFFFAOYSA-N 0 0 165.236 2.785 10 0 AFAERN CC(C)(C)c1cc(O)cc(F)c1 95709835 166384490 /nfs/dbraw/zinc/38/44/90/166384490.db2.gz DEELGUXNPLNDAN-UHFFFAOYSA-N 0 0 168.211 2.829 10 0 AFAERN CC(C)(C)c1cc(N)cc2ncoc12 62520660 166384628 /nfs/dbraw/zinc/38/46/28/166384628.db2.gz SUAXLQBFOVCMNX-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN CC(C)(C)c1ccc(O)cc1C=O 95722801 166384646 /nfs/dbraw/zinc/38/46/46/166384646.db2.gz SEPGHKOMIBAOSI-UHFFFAOYSA-N 0 0 178.231 2.502 10 0 AFAERN CC(C)(C)c1ccc(N)s1 101757943 166384786 /nfs/dbraw/zinc/38/47/86/166384786.db2.gz COEGWUNUGDLLMP-UHFFFAOYSA-N 0 0 155.266 2.628 10 0 AFAERN CC(C)(C)c1cc(N)c2ocnc2c1 41568807 166384915 /nfs/dbraw/zinc/38/49/15/166384915.db2.gz XKQHGQFPIRIKKR-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN CC(C)(C)c1nc(C2CC2)sc1N 50309171 166385296 /nfs/dbraw/zinc/38/52/96/166385296.db2.gz ARKHOKSSABVMDB-UHFFFAOYSA-N 0 0 196.319 2.900 10 0 AFAERN CC(C)(C)c1cnc(Cl)o1 95761431 166385456 /nfs/dbraw/zinc/38/54/56/166385456.db2.gz BPAHMQKXCJCJRN-UHFFFAOYSA-N 0 0 159.616 2.626 10 0 AFAERN CC(C)(C)c1cncc(OC2CC2)c1 95714076 166385656 /nfs/dbraw/zinc/38/56/56/166385656.db2.gz ZTFCFCIDYWGDOF-UHFFFAOYSA-N 0 0 191.274 2.920 10 0 AFAERN CC(C)(C)c1cnccc1OC1CC1 95722000 166385764 /nfs/dbraw/zinc/38/57/64/166385764.db2.gz KSBYUFXLDGYZEN-UHFFFAOYSA-N 0 0 191.274 2.920 10 0 AFAERN CC(C)(C)c1cccc(O)c1C=O 39391820 166386257 /nfs/dbraw/zinc/38/62/57/166386257.db2.gz GFAVSICFPREVMZ-UHFFFAOYSA-N 0 0 178.231 2.502 10 0 AFAERN CC(C)(C)c1ccncc1OC1CC1 95723241 166386287 /nfs/dbraw/zinc/38/62/87/166386287.db2.gz AVJBZUHWYUHDKE-UHFFFAOYSA-N 0 0 191.274 2.920 10 0 AFAERN CC(C)(C)c1ccc2n[nH]cc2c1 2547562 166386314 /nfs/dbraw/zinc/38/63/14/166386314.db2.gz GNGKOZMWIOTRPN-UHFFFAOYSA-N 0 0 174.247 2.860 10 0 AFAERN CC(C)(C)c1cn2ccsc2n1 3137627 166386356 /nfs/dbraw/zinc/38/63/56/166386356.db2.gz PGQXJKUTYIZVAX-UHFFFAOYSA-N 0 0 180.276 2.693 10 0 AFAERN CC(C)(C)c1nnc(C2CCCC2)[nH]1 41057789 166386945 /nfs/dbraw/zinc/38/69/45/166386945.db2.gz PDLVLXFTCNTEDT-UHFFFAOYSA-N 0 0 193.294 2.760 10 0 AFAERN CC(C)(C)c1cccc2c[nH]nc12 2547568 166387144 /nfs/dbraw/zinc/38/71/44/166387144.db2.gz RXXXLJKGIARHTE-UHFFFAOYSA-N 0 0 174.247 2.860 10 0 AFAERN CC(C)(C)c1cccc2nc(N)oc12 62520808 166387318 /nfs/dbraw/zinc/38/73/18/166387318.db2.gz QPJCIUFNEBMMFV-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN CC(C)(C)c1nc(-c2ccco2)no1 334436013 166387474 /nfs/dbraw/zinc/38/74/74/166387474.db2.gz GJCOLPMOXPMVJD-UHFFFAOYSA-N 0 0 192.218 2.627 10 0 AFAERN CC(C)(C)c1noc(/C=C/C2CC2)n1 334910767 166388245 /nfs/dbraw/zinc/38/82/45/166388245.db2.gz YLIIIGNZAVTOMN-VOTSOKGWSA-N 0 0 192.262 2.790 10 0 AFAERN CC(C)(C)c1nc2ncccc2o1 74327471 166388324 /nfs/dbraw/zinc/38/83/24/166388324.db2.gz OPPONTGEIFNHET-UHFFFAOYSA-N 0 0 176.219 2.520 10 0 AFAERN CC(C)(C)c1nc2cccnc2o1 74328079 166388467 /nfs/dbraw/zinc/38/84/67/166388467.db2.gz UOEJAYVKOIDDIE-UHFFFAOYSA-N 0 0 176.219 2.520 10 0 AFAERN CC(C)(C)c1nc2cc(O)ccc2o1 58007342 166388506 /nfs/dbraw/zinc/38/85/06/166388506.db2.gz ZSSIUCDABZEVAK-UHFFFAOYSA-N 0 0 191.230 2.831 10 0 AFAERN CC(C)(C)c1nc2c(N)cccc2o1 74412729 166388667 /nfs/dbraw/zinc/38/86/67/166388667.db2.gz UUMOKDCJRDPJBC-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN CC(C)(C)c1ncc(Cl)cc1C=O 79045134 166388764 /nfs/dbraw/zinc/38/87/64/166388764.db2.gz PLUYYEMQMSUADB-UHFFFAOYSA-N 0 0 197.665 2.845 10 0 AFAERN CC(C)(C)c1nc2ncccc2s1 38266559 166389034 /nfs/dbraw/zinc/38/90/34/166389034.db2.gz OUGZEAGIFJIRQP-UHFFFAOYSA-N 0 0 192.287 2.989 10 0 AFAERN CC(C)(C)n1c(C2CC2)n[nH]c1=S 20588626 166389190 /nfs/dbraw/zinc/38/91/90/166389190.db2.gz USZZTFWTWJQJNH-UHFFFAOYSA-N 0 0 197.307 2.573 10 0 AFAERN CC(C)(C)c1nc([C@H]2CC23CC3)no1 335241406 166389405 /nfs/dbraw/zinc/38/94/05/166389405.db2.gz NBEZWACCSANEMF-SSDOTTSWSA-N 0 0 192.262 2.635 10 0 AFAERN CC(C)(C)c1nc2c(F)cccc2[nH]1 70235112 166389421 /nfs/dbraw/zinc/38/94/21/166389421.db2.gz ZAJGTZFBVOQDEQ-UHFFFAOYSA-N 0 0 192.237 3.000 10 0 AFAERN CC(C)(C)c1nc([C@@H]2CC23CC3)no1 335241407 166389643 /nfs/dbraw/zinc/38/96/43/166389643.db2.gz NBEZWACCSANEMF-ZETCQYMHSA-N 0 0 192.262 2.635 10 0 AFAERN CC(C)(C)c1nc2cc(O)ccc2[nH]1 76212613 166389688 /nfs/dbraw/zinc/38/96/88/166389688.db2.gz FDDNCWJAGXRDMV-UHFFFAOYSA-N 0 0 190.246 2.566 10 0 AFAERN CC(C)(C)c1nc2cc(F)ccc2[nH]1 70236081 166389713 /nfs/dbraw/zinc/38/97/13/166389713.db2.gz PXDUVKMHVNXNAD-UHFFFAOYSA-N 0 0 192.237 3.000 10 0 AFAERN CC(C)(C)c1ncccc1OC1CC1 95722533 166389765 /nfs/dbraw/zinc/38/97/65/166389765.db2.gz UMAQWEFVCCZUOD-UHFFFAOYSA-N 0 0 191.274 2.920 10 0 AFAERN CC(C)(C)c1nc2cccc(N)c2o1 20222793 166389972 /nfs/dbraw/zinc/38/99/72/166389972.db2.gz VTZMXCZXDFRNMV-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN CC(C)(C)c1nc2c(O)cccc2[nH]1 76212735 166390542 /nfs/dbraw/zinc/39/05/42/166390542.db2.gz DWRYCUBKAVWKBK-UHFFFAOYSA-N 0 0 190.246 2.566 10 0 AFAERN CC(C)(C)c1nc2ccc(O)cc2o1 58007073 166390833 /nfs/dbraw/zinc/39/08/33/166390833.db2.gz CPRKESFPHIPVDB-UHFFFAOYSA-N 0 0 191.230 2.831 10 0 AFAERN CC(C)(C)n1ccc2c1CCC[C@H]2O 41712902 166391071 /nfs/dbraw/zinc/39/10/71/166391071.db2.gz WJGHDRSCCCPNHS-LLVKDONJSA-N 0 0 193.290 2.613 10 0 AFAERN CC(C)(C)n1ccc2c1CCC[C@@H]2O 41712898 166392080 /nfs/dbraw/zinc/39/20/80/166392080.db2.gz WJGHDRSCCCPNHS-NSHDSACASA-N 0 0 193.290 2.613 10 0 AFAERN CC(C)(C)n1cnc2c1CCCC2 76093915 166392132 /nfs/dbraw/zinc/39/21/32/166392132.db2.gz FBEJVAUQJZBSFX-UHFFFAOYSA-N 0 0 178.279 2.517 10 0 AFAERN CC(C)(C)n1ccc2c1CCCC2=O 41705253 166392206 /nfs/dbraw/zinc/39/22/06/166392206.db2.gz QTZKZXYYJSAZPP-UHFFFAOYSA-N 0 0 191.274 2.762 10 0 AFAERN CC(C)(C)n1cc(F)c(F)c1 39088799 166392295 /nfs/dbraw/zinc/39/22/95/166392295.db2.gz CWUYCQOYFIICKW-UHFFFAOYSA-N 0 0 159.179 2.521 10 0 AFAERN CC(C)(C)n1cccc(C=O)c1=S 39203273 166392521 /nfs/dbraw/zinc/39/25/21/166392521.db2.gz YZAXOLQUWHLBLJ-UHFFFAOYSA-N 0 0 195.287 2.785 10 0 AFAERN CC(C)(C)n1cc2ccccc2n1 2541052 166392931 /nfs/dbraw/zinc/39/29/31/166392931.db2.gz QXXLFRCAOVPYEL-UHFFFAOYSA-N 0 0 174.247 2.791 10 0 AFAERN CC(C)(C)n1ccccc1=S 39124687 166393000 /nfs/dbraw/zinc/39/30/00/166393000.db2.gz OXWGHROMTXRMHF-UHFFFAOYSA-N 0 0 167.277 2.973 10 0 AFAERN CC(C)(CF)c1nc2ccccc2[nH]1 95923516 166393844 /nfs/dbraw/zinc/39/38/44/166393844.db2.gz XTJJCBFHQRZCHB-UHFFFAOYSA-N 0 0 192.237 2.810 10 0 AFAERN CC(C)(CO)Nc1ccc(Cl)cc1 38119401 166396622 /nfs/dbraw/zinc/39/66/22/166396622.db2.gz ADWCHDWMZLWRAY-UHFFFAOYSA-N 0 0 199.681 2.523 10 0 AFAERN CC(C)(CO)Nc1ccccc1Cl 38113334 166396785 /nfs/dbraw/zinc/39/67/85/166396785.db2.gz OHRCMFNZNZFIGN-UHFFFAOYSA-N 0 0 199.681 2.523 10 0 AFAERN CC(C)(CO)Nc1cccc(Cl)c1 38113657 166397461 /nfs/dbraw/zinc/39/74/61/166397461.db2.gz VWRSKTBACXEBED-UHFFFAOYSA-N 0 0 199.681 2.523 10 0 AFAERN CON[C@@H]1CCCCc2ccccc21 133732818 343925620 /nfs/dbraw/zinc/92/56/20/343925620.db2.gz KFULYMQLIHHMGQ-GFCCVEGCSA-N 0 0 191.274 2.605 10 0 AFAERN CC(C)(Cl)C(=O)c1ccccc1 1687103 166398280 /nfs/dbraw/zinc/39/82/80/166398280.db2.gz NUJHTYRNHYOUKO-UHFFFAOYSA-N 0 0 182.650 2.887 10 0 AFAERN CC(C)(F)c1nc(-c2ccoc2)no1 336179430 166398333 /nfs/dbraw/zinc/39/83/33/166398333.db2.gz WVJHYAWNPIXEOD-UHFFFAOYSA-N 0 0 196.181 2.534 10 0 AFAERN CC(C)(F)C(=O)C1CCCCC1 39054845 166398856 /nfs/dbraw/zinc/39/88/56/166398856.db2.gz VTEMLBSPIWBRKR-UHFFFAOYSA-N 0 0 172.243 2.884 10 0 AFAERN CC(C)(CO)c1cccc(Cl)c1 32007785 166399052 /nfs/dbraw/zinc/39/90/52/166399052.db2.gz MAPZIQZDTJLXRU-UHFFFAOYSA-N 0 0 184.666 2.610 10 0 AFAERN CC(C)(CO)c1ccc(Cl)s1 58521361 166399117 /nfs/dbraw/zinc/39/91/17/166399117.db2.gz FYBLIXYTJKEAMF-UHFFFAOYSA-N 0 0 190.695 2.671 10 0 AFAERN CC(C)(F)C(=O)c1ccccc1 39054812 166399233 /nfs/dbraw/zinc/39/92/33/166399233.db2.gz GJPISPLXVHWJOK-UHFFFAOYSA-N 0 0 166.195 2.617 10 0 AFAERN CC(C)(F)c1nc([C@H]2CC2(C)C)no1 336398782 166399246 /nfs/dbraw/zinc/39/92/46/166399246.db2.gz JRSJFUYZPGBKLT-ZCFIWIBFSA-N 0 0 198.241 2.788 10 0 AFAERN CC(C)(F)c1nc([C@@H]2CC2(C)C)no1 336398781 166399349 /nfs/dbraw/zinc/39/93/49/166399349.db2.gz JRSJFUYZPGBKLT-LURJTMIESA-N 0 0 198.241 2.788 10 0 AFAERN CC(C)(Cl)OC(C)(C)Cl 2007468 166399451 /nfs/dbraw/zinc/39/94/51/166399451.db2.gz BULHJTXRZFEUDQ-UHFFFAOYSA-N 0 0 171.067 2.953 10 0 AFAERN CC(C)(F)c1nc(-c2ccco2)no1 334720407 166399930 /nfs/dbraw/zinc/39/99/30/166399930.db2.gz ZGPGNEAZFYFRAU-UHFFFAOYSA-N 0 0 196.181 2.534 10 0 AFAERN CC(C)/C(=C/c1ccccc1)[N+](=O)[O-] 168032211 166411390 /nfs/dbraw/zinc/41/13/90/166411390.db2.gz RAVLXALJMNNJMM-FLIBITNWSA-N 0 0 191.230 2.960 10 0 AFAERN CC(C)=C1N(C)c2ccccc2N1C 5137943 166413807 /nfs/dbraw/zinc/41/38/07/166413807.db2.gz QJFVNVGUTOOLOA-UHFFFAOYSA-N 0 0 188.274 2.824 10 0 AFAERN CC(C)=CCC[C@]1(C)OC[C@H](C)O1 6037901 166415528 /nfs/dbraw/zinc/41/55/28/166415528.db2.gz WBZMYLUNPPFHTA-WDEREUQCSA-N 0 0 184.279 2.884 10 0 endogenous,in-man AFAERN CC(C)=CCC[C@@H](O)C(C)C 43657888 166416466 /nfs/dbraw/zinc/41/64/66/166416466.db2.gz XVDRWXTVFRCNQZ-SNVBAGLBSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)=CCC[C@@H](C)[C@H](C)CO 6036283 166416949 /nfs/dbraw/zinc/41/69/49/166416949.db2.gz FDEBVYXMAXZAIP-GHMZBOCLSA-N 0 0 170.296 2.997 10 0 AFAERN CC(C)=CCOc1cccc(N)c1 38054808 166419063 /nfs/dbraw/zinc/41/90/63/166419063.db2.gz YJEKZXZNGYJVDC-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN CC(C)=CC[C@@H](CO)C(C)C 28537538 166419215 /nfs/dbraw/zinc/41/92/15/166419215.db2.gz VPDSPOWDCKVMDL-JTQLQIEISA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)=CC[C@@H]1CCC[C@@H]1O 43655833 166419248 /nfs/dbraw/zinc/41/92/48/166419248.db2.gz DAEZMSSUQGBZAK-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)=CCSc1ccncc1N 37190291 166419384 /nfs/dbraw/zinc/41/93/84/166419384.db2.gz QDSSIMIVHRIVDE-UHFFFAOYSA-N 0 0 194.303 2.722 10 0 AFAERN CC(C)=CCOc1ccc(O)cc1 34962377 166419593 /nfs/dbraw/zinc/41/95/93/166419593.db2.gz QAHFPRYLZONICJ-UHFFFAOYSA-N 0 0 178.231 2.737 10 0 AFAERN CC(C)=Cc1ccc(N)cc1 75537979 166420131 /nfs/dbraw/zinc/42/01/31/166420131.db2.gz OQNKSMOLCHZFBM-UHFFFAOYSA-N 0 0 147.221 2.692 10 0 AFAERN CC(C)=CCc1cc[nH]c1 104608798 166420270 /nfs/dbraw/zinc/42/02/70/166420270.db2.gz LHZBDYFLWXOQRV-UHFFFAOYSA-N 0 0 135.210 2.523 10 0 AFAERN CC(C)=CCc1ccco1 104839445 166420390 /nfs/dbraw/zinc/42/03/90/166420390.db2.gz QJDVUKINSYGEHQ-UHFFFAOYSA-N 0 0 136.194 2.788 10 0 AFAERN CC(C)=Cc1nc([C@@H]2C[C@@H]2C)no1 307077777 166420546 /nfs/dbraw/zinc/42/05/46/166420546.db2.gz GMONNBACQADYNV-JGVFFNPUSA-N 0 0 178.235 2.616 10 0 AFAERN CC(C)=Cc1ccccc1O 75538173 166420557 /nfs/dbraw/zinc/42/05/57/166420557.db2.gz UOIVYIZWVCBZNX-UHFFFAOYSA-N 0 0 148.205 2.815 10 0 AFAERN CC(C)=C[C@H](C)NC(=O)OC(C)(C)C 34061433 166420566 /nfs/dbraw/zinc/42/05/66/166420566.db2.gz YLHOUQYHGGRZBH-VIFPVBQESA-N 0 0 199.294 2.866 10 0 AFAERN CC(C)=Cc1ccc(C)nc1 39051880 166420820 /nfs/dbraw/zinc/42/08/20/166420820.db2.gz FZIGPUQMVXIKPK-UHFFFAOYSA-N 0 0 147.221 2.813 10 0 AFAERN CC(C)=Cc1cccnc1 72231259 166420835 /nfs/dbraw/zinc/42/08/35/166420835.db2.gz IGJUDJGFQPGZAS-UHFFFAOYSA-N 0 0 133.194 2.505 10 0 AFAERN CC(C)=C[C@@H]1CCCC(=O)C1 104838307 166421084 /nfs/dbraw/zinc/42/10/84/166421084.db2.gz AZSDTKJJMQIYSE-VIFPVBQESA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)=C[C@H](O)c1ccccc1 33946397 166421149 /nfs/dbraw/zinc/42/11/49/166421149.db2.gz TZWGINWXGYBGLY-NSHDSACASA-N 0 0 162.232 2.686 10 0 AFAERN CC(C)=CC[C@H]1CCCC[C@H]1O 43658120 166421604 /nfs/dbraw/zinc/42/16/04/166421604.db2.gz BAYFJXSKCKAWPW-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)=Cc1nc([C@H]2C[C@@H]2C)no1 307077796 166421706 /nfs/dbraw/zinc/42/17/06/166421706.db2.gz GMONNBACQADYNV-YUMQZZPRSA-N 0 0 178.235 2.616 10 0 AFAERN CC(C)=CC[C@H]1CCCC[C@@H]1O 43658118 166421834 /nfs/dbraw/zinc/42/18/34/166421834.db2.gz BAYFJXSKCKAWPW-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)C(=O)c1ccccc1N(C)C 75854520 166427879 /nfs/dbraw/zinc/42/78/79/166427879.db2.gz NBXFBHIZVOTXFD-UHFFFAOYSA-N 0 0 191.274 2.591 10 0 AFAERN CC(C)C(C)(C)C(=O)N1[C@@H](C)C[C@H]1C 334620152 166427958 /nfs/dbraw/zinc/42/79/58/166427958.db2.gz ZUDSDLKADCPZQV-AOOOYVTPSA-N 0 0 197.322 2.678 10 0 AFAERN CC(C)C(C)(C)C(=O)N1[C@H](C)C[C@H]1C 334620155 166428158 /nfs/dbraw/zinc/42/81/58/166428158.db2.gz ZUDSDLKADCPZQV-NXEZZACHSA-N 0 0 197.322 2.678 10 0 AFAERN CC(C)C(=O)c1cccc(N(C)C)c1 75854519 166428173 /nfs/dbraw/zinc/42/81/73/166428173.db2.gz AVMNXCNHJAMCJA-UHFFFAOYSA-N 0 0 191.274 2.591 10 0 AFAERN CC(C)C(=O)c1ccc(Cl)c(N)c1 32009583 166428367 /nfs/dbraw/zinc/42/83/67/166428367.db2.gz KKRLLRZPJUMGHR-UHFFFAOYSA-N 0 0 197.665 2.761 10 0 AFAERN CC(C)C(=O)[C@H]1CC[C@@H](C)C1 83784188 166428574 /nfs/dbraw/zinc/42/85/74/166428574.db2.gz GEUINYLILIYHOG-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)C1=CC[C@@](C)(O)CC1 14588973 166430165 /nfs/dbraw/zinc/43/01/65/166430165.db2.gz XJWZDXFFNOMMTD-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 endogenous,in-man AFAERN CC(C)C1(C(C)C)CC=CO1 39091035 166430441 /nfs/dbraw/zinc/43/04/41/166430441.db2.gz BQHFWWLPCNZCPD-UHFFFAOYSA-N 0 0 154.253 2.971 10 0 AFAERN CC(C)CC(=O)[C@@H](F)C(C)C 39125476 166433796 /nfs/dbraw/zinc/43/37/96/166433796.db2.gz ALBJFLPXPCHZHE-VIFPVBQESA-N 0 0 160.232 2.596 10 0 AFAERN CC(C)CCC(=O)c1cncs1 36404528 166435716 /nfs/dbraw/zinc/43/57/16/166435716.db2.gz VGYSLBMNTNQEAB-UHFFFAOYSA-N 0 0 183.276 2.762 10 0 AFAERN CC(C)CCC(=O)C[C@@H]1CCCO1 53764704 166436174 /nfs/dbraw/zinc/43/61/74/166436174.db2.gz KRYIYYPTPBWPHY-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)CCC1(C)OCC=CCO1 5373374 166436643 /nfs/dbraw/zinc/43/66/43/166436643.db2.gz FFANAZFONFVGKZ-UHFFFAOYSA-N 0 0 184.279 2.742 10 0 AFAERN CC(C)CCCOC(=O)C(C)C 38613359 166438355 /nfs/dbraw/zinc/43/83/55/166438355.db2.gz AJCVRKAWPQPCAA-UHFFFAOYSA-N 0 0 172.268 2.622 10 0 AFAERN CC(C)CCC[C@@H](O)C(F)(F)F 39644635 166438924 /nfs/dbraw/zinc/43/89/24/166438924.db2.gz SUUQZZMBEPGSMG-SSDOTTSWSA-N 0 0 184.201 2.736 10 0 AFAERN CC(C)CCC[C@H](C)[C@@H](C)O 5441006 166441739 /nfs/dbraw/zinc/44/17/39/166441739.db2.gz XCWMPEYBKUYTLZ-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)CCC[C@H](O)C(C)C 43657902 166442753 /nfs/dbraw/zinc/44/27/53/166442753.db2.gz VFUOFVONEDBLIJ-JTQLQIEISA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)CCN(C)c1ccc(C=O)o1 50544221 166443009 /nfs/dbraw/zinc/44/30/09/166443009.db2.gz KFSLYZSSDARHFE-UHFFFAOYSA-N 0 0 195.262 2.574 10 0 AFAERN CC(C)CCOCCCC[C@@H](C)O 45621770 166447080 /nfs/dbraw/zinc/44/70/80/166447080.db2.gz NCDRZUNRONRPJW-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)CCNc1cccnc1 19884198 166447408 /nfs/dbraw/zinc/44/74/08/166447408.db2.gz WLNVRPJQAXNJLU-UHFFFAOYSA-N 0 0 164.252 2.540 10 0 AFAERN CC(C)CCOCCCC[C@H](C)O 45621773 166447585 /nfs/dbraw/zinc/44/75/85/166447585.db2.gz NCDRZUNRONRPJW-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)CCNc1cccc(O)c1 20193261 166448780 /nfs/dbraw/zinc/44/87/80/166448780.db2.gz CYHHXZCPTKEZMC-UHFFFAOYSA-N 0 0 179.263 2.850 10 0 AFAERN CC(C)CC[C@@H](O)C1=CCCC1 50329130 166449466 /nfs/dbraw/zinc/44/94/66/166449466.db2.gz HRUPMEZDCGLCKE-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)CC[C@@H](O)C1CCCC1 43374209 166450405 /nfs/dbraw/zinc/45/04/05/166450405.db2.gz DZYWPFGOLQPLJK-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)CC[C@@H](O)c1ccoc1 70650894 166451258 /nfs/dbraw/zinc/45/12/58/166451258.db2.gz FVCXJPAYTRMMQN-SNVBAGLBSA-N 0 0 168.236 2.749 10 0 AFAERN CC(C)CCc1ncc(C=O)s1 43374633 166451659 /nfs/dbraw/zinc/45/16/59/166451659.db2.gz VASXFVINHMQIQL-UHFFFAOYSA-N 0 0 183.276 2.544 10 0 AFAERN CC(C)CC[C@H](O)c1ccoc1 70650893 166451941 /nfs/dbraw/zinc/45/19/41/166451941.db2.gz FVCXJPAYTRMMQN-JTQLQIEISA-N 0 0 168.236 2.749 10 0 AFAERN CC(C)CCc1nc2cccnc2[nH]1 44264769 166452488 /nfs/dbraw/zinc/45/24/88/166452488.db2.gz BFOBMLVUXBTQBL-UHFFFAOYSA-N 0 0 189.262 2.547 10 0 AFAERN CC(C)CCn1nc(C(C)C)cc1N 42439740 166454177 /nfs/dbraw/zinc/45/41/77/166454177.db2.gz NIJRYRUSEJHMAA-UHFFFAOYSA-N 0 0 195.310 2.635 10 0 AFAERN CC(C)CCn1cccc1 35120199 166454661 /nfs/dbraw/zinc/45/46/61/166454661.db2.gz QNFYLUDPMZVIOW-UHFFFAOYSA-N 0 0 137.226 2.534 10 0 AFAERN CC(C)CN(C)c1cc(F)ccc1N 52120060 166459221 /nfs/dbraw/zinc/45/92/21/166459221.db2.gz ZRWNKPZWHBZINB-UHFFFAOYSA-N 0 0 196.269 2.500 10 0 AFAERN CC(C)CN(C)c1ccc(N)c(F)c1 77296029 166459228 /nfs/dbraw/zinc/45/92/28/166459228.db2.gz XZKMYDAZFIPZCK-UHFFFAOYSA-N 0 0 196.269 2.500 10 0 AFAERN CC(C)CNc1cccc([C@H](C)O)c1 83342038 166477237 /nfs/dbraw/zinc/47/72/37/166477237.db2.gz NKHCDAUKRBBNSJ-JTQLQIEISA-N 0 0 193.290 2.808 10 0 AFAERN CC(C)COCc1cc(F)ccc1N 35308759 166478079 /nfs/dbraw/zinc/47/80/79/166478079.db2.gz CNGOQBNIIGLJQV-UHFFFAOYSA-N 0 0 197.253 2.581 10 0 AFAERN CC(C)COCc1ccccc1 1599048 166478125 /nfs/dbraw/zinc/47/81/25/166478125.db2.gz ADHMUPZYLITZIH-UHFFFAOYSA-N 0 0 164.248 2.859 10 0 AFAERN CC(C)COCc1ccc(Cl)nc1 19273710 166479302 /nfs/dbraw/zinc/47/93/02/166479302.db2.gz ZGYBQECEJAXPOT-UHFFFAOYSA-N 0 0 199.681 2.908 10 0 AFAERN CC(C)CSCC(=O)c1ccco1 35183325 166480327 /nfs/dbraw/zinc/48/03/27/166480327.db2.gz WLCKHYHRQQJEAP-UHFFFAOYSA-N 0 0 198.287 2.852 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N1CCCCC1 336186367 166480382 /nfs/dbraw/zinc/48/03/82/166480382.db2.gz PBBITBZDKYNOME-LLVKDONJSA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)CSc1cccc(F)n1 40712327 166481582 /nfs/dbraw/zinc/48/15/82/166481582.db2.gz IBHPAFFYPQTJLL-UHFFFAOYSA-N 0 0 185.267 2.969 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@H]1C 335732469 166481944 /nfs/dbraw/zinc/48/19/44/166481944.db2.gz NOTZNWVOQDPRBW-GHMZBOCLSA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)C[C@@H]1C[C@H](C)CC[C@H]1O 49852420 166488151 /nfs/dbraw/zinc/48/81/51/166488151.db2.gz UVVPUWGVJNNPML-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)C[C@@H]1C[C@@H](C)CC[C@@H]1O 49852419 166489477 /nfs/dbraw/zinc/48/94/77/166489477.db2.gz UVVPUWGVJNNPML-AXFHLTTASA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)C[C@@]1(O)CCC[C@@H](C)C1 37375463 166490821 /nfs/dbraw/zinc/49/08/21/166490821.db2.gz RXPYDHQKKLDTEZ-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@@]1(O)CCC[C@H](C)C1 37375465 166491191 /nfs/dbraw/zinc/49/11/91/166491191.db2.gz RXPYDHQKKLDTEZ-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@H](C)C(=O)N1CCCCC1 336186368 166492642 /nfs/dbraw/zinc/49/26/42/166492642.db2.gz PBBITBZDKYNOME-NSHDSACASA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)C[C@@]1(O)CCCC[C@@H]1C 37375805 166492695 /nfs/dbraw/zinc/49/26/95/166492695.db2.gz RLPXKBBNEQBNBO-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@H](C)OCCC[C@H](C)O 45621909 166493200 /nfs/dbraw/zinc/49/32/00/166493200.db2.gz AYJCEVHLLMKNTP-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)C[C@H](C)n1cn[nH]c1=S 37265243 166494607 /nfs/dbraw/zinc/49/46/07/166494607.db2.gz ZXEUOONREQUIKM-ZETCQYMHSA-N 0 0 185.296 2.548 10 0 AFAERN CC(C)C[C@H](O)c1ccc(F)cc1 32007585 166495225 /nfs/dbraw/zinc/49/52/25/166495225.db2.gz WHXXWRLNVHZPOJ-NSHDSACASA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)C[C@H]1CCC[C@@](C)(O)C1 90767726 166495589 /nfs/dbraw/zinc/49/55/89/166495589.db2.gz PMKDAPPYGOWKLX-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@H]1C=C(Cl)CCO1 21987356 166495825 /nfs/dbraw/zinc/49/58/25/166495825.db2.gz BLYMZBRPGFTZER-VIFPVBQESA-N 0 0 174.671 2.944 10 0 AFAERN CC(C)C[C@H](NO)c1ccccc1 8700253 166496171 /nfs/dbraw/zinc/49/61/71/166496171.db2.gz TZOYFKVWPOCIAE-NSHDSACASA-N 0 0 179.263 2.753 10 0 AFAERN CC(C)C[C@H]1C(=O)Oc2ccccc21 211815226 166496334 /nfs/dbraw/zinc/49/63/34/166496334.db2.gz NARCZGVTTCWLHQ-SNVBAGLBSA-N 0 0 190.242 2.735 10 0 AFAERN CC(C)C[C@H]1C[C@@H](C)CCO1 6037613 166497793 /nfs/dbraw/zinc/49/77/93/166497793.db2.gz LETLQGKRPMMKKC-UWVGGRQHSA-N 0 0 156.269 2.848 10 0 AFAERN CC(C)C[C@](C)(O)c1ccccc1 37379185 166498251 /nfs/dbraw/zinc/49/82/51/166498251.db2.gz QLRNCRSMBZMVRQ-LBPRGKRZSA-N 0 0 178.275 2.940 10 0 AFAERN CC(C)C[C@H]1Cc2ccccc2[C@H]1O 43659136 166499074 /nfs/dbraw/zinc/49/90/74/166499074.db2.gz SMAKKQQGKRMPFJ-AAEUAGOBSA-N 0 0 190.286 2.938 10 0 AFAERN CC(C)Cc1c(C(C)C)noc1N 43375899 166500033 /nfs/dbraw/zinc/50/00/33/166500033.db2.gz ONYAQRATYCPBAS-UHFFFAOYSA-N 0 0 182.267 2.579 10 0 AFAERN CC(C)C[C@]1(O)CCCC[C@@H]1C 37375809 166500578 /nfs/dbraw/zinc/50/05/78/166500578.db2.gz RLPXKBBNEQBNBO-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)Cc1cc(N)c2ocnc2c1 62520651 166500785 /nfs/dbraw/zinc/50/07/85/166500785.db2.gz PHDFQKCIDGISGO-UHFFFAOYSA-N 0 0 190.246 2.609 10 0 AFAERN CC(C)Cc1c(C2CCC2)noc1N 43375937 166500876 /nfs/dbraw/zinc/50/08/76/166500876.db2.gz WWMHHKDOBPABKN-UHFFFAOYSA-N 0 0 194.278 2.723 10 0 AFAERN CC(C)Cc1nc(C2CC2)sc1N 50309153 166501952 /nfs/dbraw/zinc/50/19/52/166501952.db2.gz HHYGIYXBSOLWBW-UHFFFAOYSA-N 0 0 196.319 2.801 10 0 AFAERN CC(C)Cc1c([C@H]2C[C@@H]2C)noc1N 43375931 166502319 /nfs/dbraw/zinc/50/23/19/166502319.db2.gz JQASRTNPKZPWQL-YUMQZZPRSA-N 0 0 194.278 2.579 10 0 AFAERN CC(C)Cc1cnc(CC(C)C)cn1 13378316 166502500 /nfs/dbraw/zinc/50/25/00/166502500.db2.gz WSRPXRPLNPKUCF-UHFFFAOYSA-N 0 0 192.306 2.874 10 0 AFAERN CC(C)Cc1nc2cccc(N)c2o1 20222791 166503615 /nfs/dbraw/zinc/50/36/15/166503615.db2.gz DBIGYMMAMAMPEO-UHFFFAOYSA-N 0 0 190.246 2.609 10 0 AFAERN CC(C)Cn1ccc2c1CCC[C@@H]2O 41712504 166505452 /nfs/dbraw/zinc/50/54/52/166505452.db2.gz VYRWMAUOMPBMNM-LBPRGKRZSA-N 0 0 193.290 2.514 10 0 AFAERN CC(C)N(C)c1ccccc1 2036823 166515446 /nfs/dbraw/zinc/51/54/46/166515446.db2.gz DBJNWDVLSZLQOL-UHFFFAOYSA-N 0 0 149.237 2.531 10 0 AFAERN CC(C)N1c2ccccc2C[C@H]1C 39104879 166527048 /nfs/dbraw/zinc/52/70/48/166527048.db2.gz TZOCRWHEFLRIJB-SNVBAGLBSA-N 0 0 175.275 2.846 10 0 AFAERN CC(C)Nc1cc(C2CCCC2)[nH]n1 62668569 166551064 /nfs/dbraw/zinc/55/10/64/166551064.db2.gz AZXIMIZZLYMIAW-UHFFFAOYSA-N 0 0 193.294 2.888 10 0 AFAERN CC(C)Nc1cccnc1Cl 36982948 166551097 /nfs/dbraw/zinc/55/10/97/166551097.db2.gz TWIKJCHPXAXCDO-UHFFFAOYSA-N 0 0 170.643 2.555 10 0 AFAERN CC(C)Nc1cccs1 38948712 166551277 /nfs/dbraw/zinc/55/12/77/166551277.db2.gz SRCBAXAZDJXMLD-UHFFFAOYSA-N 0 0 141.239 2.568 10 0 AFAERN CC(C)OCc1cc(N)ccc1Cl 37403405 166558673 /nfs/dbraw/zinc/55/86/73/166558673.db2.gz VKQIMENUFMBBPX-UHFFFAOYSA-N 0 0 199.681 2.847 10 0 AFAERN CC(C)OCc1ccc(Cl)cc1N 50443575 166558852 /nfs/dbraw/zinc/55/88/52/166558852.db2.gz QJSJZVSXBRRVLB-UHFFFAOYSA-N 0 0 199.681 2.847 10 0 AFAERN CC(C)Oc1cccc(O)c1Cl 95710847 166560548 /nfs/dbraw/zinc/56/05/48/166560548.db2.gz VAAJKJOCDNKDII-UHFFFAOYSA-N 0 0 186.638 2.833 10 0 AFAERN CC(C)Oc1c(O)cccc1Cl 95710575 166561823 /nfs/dbraw/zinc/56/18/23/166561823.db2.gz XJKRFNUYUSFBRF-UHFFFAOYSA-N 0 0 186.638 2.833 10 0 AFAERN CC(C)S[C@@H]1CCCCC1=O 37687527 166564991 /nfs/dbraw/zinc/56/49/91/166564991.db2.gz CCGTUEMUZRPJPB-SECBINFHSA-N 0 0 172.293 2.640 10 0 AFAERN CC(C)Sc1cc(F)ccc1N 52122456 166565358 /nfs/dbraw/zinc/56/53/58/166565358.db2.gz BZYPGUUOAMQJET-UHFFFAOYSA-N 0 0 185.267 2.908 10 0 AFAERN CC(C)Sc1ccnc(Cl)n1 51850538 166565814 /nfs/dbraw/zinc/56/58/14/166565814.db2.gz PHOZMFSZZZQHMX-UHFFFAOYSA-N 0 0 188.683 2.631 10 0 AFAERN CC(C)SCc1cc(N)ccc1O 37685518 166566708 /nfs/dbraw/zinc/56/67/08/166566708.db2.gz IQPTWKOVIRTFNA-UHFFFAOYSA-N 0 0 197.303 2.616 10 0 AFAERN CC(C)Sc1cncc(Cl)n1 37685971 166566944 /nfs/dbraw/zinc/56/69/44/166566944.db2.gz KNAQDUOANHEBNG-UHFFFAOYSA-N 0 0 188.683 2.631 10 0 AFAERN CC(C)Sc1ccc(N)s1 104107982 166567107 /nfs/dbraw/zinc/56/71/07/166567107.db2.gz MFEYLTPCXUDUMR-UHFFFAOYSA-N 0 0 173.306 2.831 10 0 AFAERN CC(C)[C@@H](C)N(C)c1ccccc1N 36787075 166568799 /nfs/dbraw/zinc/56/87/99/166568799.db2.gz IATKTCPDYKXFDH-SNVBAGLBSA-N 0 0 192.306 2.750 10 0 AFAERN CC(C)[C@@H](C)Nc1cc(N)cc(F)c1 37666762 166570826 /nfs/dbraw/zinc/57/08/26/166570826.db2.gz AJFVOQXLSWIGFX-MRVPVSSYSA-N 0 0 196.269 2.864 10 0 AFAERN CC(C)[C@@H](C)Sc1cccnn1 306375917 166573998 /nfs/dbraw/zinc/57/39/98/166573998.db2.gz MLNQKPYHVJDQBM-MRVPVSSYSA-N 0 0 182.292 2.613 10 0 AFAERN CC(C)[C@@H](C)Nc1cccc(O)c1 20193623 166575513 /nfs/dbraw/zinc/57/55/13/166575513.db2.gz IXWDLYMQEVXDNE-SECBINFHSA-N 0 0 179.263 2.849 10 0 AFAERN CC(C)[C@@H](CO)c1cccc(F)c1 36155988 166577250 /nfs/dbraw/zinc/57/72/50/166577250.db2.gz FWTFMRGINJEHKJ-LLVKDONJSA-N 0 0 182.238 2.558 10 0 AFAERN CC(C)[C@@H](F)c1ccncc1 33835476 166578417 /nfs/dbraw/zinc/57/84/17/166578417.db2.gz MDRMNNLBFNXRPF-SECBINFHSA-N 0 0 153.200 2.748 10 0 AFAERN CC(C)[C@@H](O)c1cc(F)ccc1F 36156505 166579948 /nfs/dbraw/zinc/57/99/48/166579948.db2.gz CMHZPNAEBMDBMU-SNVBAGLBSA-N 0 0 186.201 2.654 10 0 AFAERN CC(C)[C@@H](O)C1=CCCCC1 50328729 166580589 /nfs/dbraw/zinc/58/05/89/166580589.db2.gz JBHNKUHBQGXYGS-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@@H](O)CCc1ccsc1 43658023 166580775 /nfs/dbraw/zinc/58/07/75/166580775.db2.gz NXCZCXLAZNICTA-JTQLQIEISA-N 0 0 184.304 2.698 10 0 AFAERN CC(C)[C@@H]1CCC(=O)C1(C)C 39103249 166583555 /nfs/dbraw/zinc/58/35/55/166583555.db2.gz OAVKVOHNMAHPFW-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@@H](O)c1nc2ccccc2o1 75853567 166584508 /nfs/dbraw/zinc/58/45/08/166584508.db2.gz YKJTZWGZVZWTTA-SNVBAGLBSA-N 0 0 191.230 2.517 10 0 AFAERN CC(C)[C@@H]1CC(=O)C[C@H](C)C1 1577395 166585045 /nfs/dbraw/zinc/58/50/45/166585045.db2.gz MCSPKYAHSDBQAR-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@@H]1CC[C@](C)(F)C(=O)C1 36436952 166586904 /nfs/dbraw/zinc/58/69/04/166586904.db2.gz NGBYMFOAIMGBPC-SCZZXKLOSA-N 0 0 172.243 2.740 10 0 AFAERN CC(C)[C@@H]1CNc2ccc(F)cc2O1 75883286 166590949 /nfs/dbraw/zinc/59/09/49/166590949.db2.gz DTSBNGAFYZQFCT-NSHDSACASA-N 0 0 195.237 2.655 10 0 AFAERN CC(C)[C@@H]1COc2ccccc21 39103852 166591035 /nfs/dbraw/zinc/59/10/35/166591035.db2.gz BPRDIGJSGIHYNU-JTQLQIEISA-N 0 0 162.232 2.819 10 0 AFAERN CC(C)[C@@H]1CNc2ccccc2O1 59788018 166591048 /nfs/dbraw/zinc/59/10/48/166591048.db2.gz QBZFAOQLIVNFLL-NSHDSACASA-N 0 0 177.247 2.516 10 0 AFAERN CC(C)[C@@H]1C[C@](C)(Cl)CCO1 196399809 166591506 /nfs/dbraw/zinc/59/15/06/166591506.db2.gz JXPIKZZNCXMZTL-DTWKUNHWSA-N 0 0 176.687 2.819 10 0 AFAERN CC(C)[C@@H]1OC(=O)C[C@@H]2CCCC[C@@H]21 238790657 166591841 /nfs/dbraw/zinc/59/18/41/166591841.db2.gz VODJLKMFVDDWEY-NHCYSSNCSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)[C@@H]1OCCCCS1 39103718 166592411 /nfs/dbraw/zinc/59/24/11/166592411.db2.gz LZMZQUMKBFLZGF-MRVPVSSYSA-N 0 0 160.282 2.512 10 0 AFAERN CC(C)[C@@H]1SC[C@H](C)S1 39103808 166593042 /nfs/dbraw/zinc/59/30/42/166593042.db2.gz FFEFMICFXSDLAM-NKWVEPMBSA-N 0 0 162.323 2.837 10 0 AFAERN CC(C)[C@@](C)(CO)Nc1ccccc1 52883967 166595234 /nfs/dbraw/zinc/59/52/34/166595234.db2.gz ZPRSBQBLCOPPIM-GFCCVEGCSA-N 0 0 193.290 2.506 10 0 AFAERN CC(C)[C@@](C)(O)C1CCCCC1 37380370 166595869 /nfs/dbraw/zinc/59/58/69/166595869.db2.gz PPPGRLSKGKXZRI-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@@]1(O)CCc2ccccc2C1 37460408 166596322 /nfs/dbraw/zinc/59/63/22/166596322.db2.gz IUYHSOPMVIFDNG-CYBMUJFWSA-N 0 0 190.286 2.562 10 0 AFAERN CC(C)[C@H](C)Nc1cccnc1 19884346 166602555 /nfs/dbraw/zinc/60/25/55/166602555.db2.gz KOKLICVOOQQNBJ-VIFPVBQESA-N 0 0 164.252 2.538 10 0 AFAERN CC(C)[C@H](C)Nc1ccc(F)cc1N 26516632 166604067 /nfs/dbraw/zinc/60/40/67/166604067.db2.gz WQURBPSCTBFKQT-QMMMGPOBSA-N 0 0 196.269 2.864 10 0 AFAERN CC(C)[C@H](C)Nc1cccc(N)c1 34959053 166604126 /nfs/dbraw/zinc/60/41/26/166604126.db2.gz QAJFNRGBYQECQB-VIFPVBQESA-N 0 0 178.279 2.725 10 0 AFAERN CC(C)[C@H](CO)c1ccc(F)cc1 41202081 166605674 /nfs/dbraw/zinc/60/56/74/166605674.db2.gz BMSKWVGAENPHDP-NSHDSACASA-N 0 0 182.238 2.558 10 0 AFAERN CC(C)[C@H](F)c1ccncc1 39120774 166606890 /nfs/dbraw/zinc/60/68/90/166606890.db2.gz MDRMNNLBFNXRPF-VIFPVBQESA-N 0 0 153.200 2.748 10 0 AFAERN CC(C)[C@H](O)CCc1cccs1 43657926 166611157 /nfs/dbraw/zinc/61/11/57/166611157.db2.gz MTPMGENGEPRABN-SNVBAGLBSA-N 0 0 184.304 2.698 10 0 AFAERN CC(C)[C@H]1C(=O)[C@@H]1C(C)(C)C 39103243 166611719 /nfs/dbraw/zinc/61/17/19/166611719.db2.gz ADHHTWSBWVHCGU-HTQZYQBOSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@H](O)c1ccccc1F 34552047 166612295 /nfs/dbraw/zinc/61/22/95/166612295.db2.gz CAPFSSPGUHTLSJ-JTQLQIEISA-N 0 0 168.211 2.515 10 0 AFAERN CC(C)[C@H](O)Cc1ccccc1Cl 32009726 166612303 /nfs/dbraw/zinc/61/23/03/166612303.db2.gz OJHDEHWWYSLVGI-LLVKDONJSA-N 0 0 198.693 2.899 10 0 AFAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CO 32227032 166616399 /nfs/dbraw/zinc/61/63/99/166616399.db2.gz AEFLYRHUYOYCLW-GMTAPVOTSA-N 0 0 170.296 2.687 10 0 AFAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC=O 5369659 166616493 /nfs/dbraw/zinc/61/64/93/166616493.db2.gz XEYZAKCJAFSLGZ-GMTAPVOTSA-N 0 0 184.279 2.620 10 0 AFAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC=O 15773033 166616862 /nfs/dbraw/zinc/61/68/62/166616862.db2.gz XEYZAKCJAFSLGZ-MXWKQRLJSA-N 0 0 184.279 2.620 10 0 AFAERN CC(C)[C@H]1CN1c1ccccc1 39103780 166616885 /nfs/dbraw/zinc/61/68/85/166616885.db2.gz VFOHDFQPEPEWKE-JHJMLUEUSA-N 0 0 161.248 2.531 10 0 AFAERN CC(C)[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 150165706 166619589 /nfs/dbraw/zinc/61/95/89/166619589.db2.gz SULQQBPPVAEFGF-BDAKNGLRSA-N 0 0 199.294 2.556 10 0 AFAERN CC(C)[C@H]1Cc2ccccc2N1 39103784 166619645 /nfs/dbraw/zinc/61/96/45/166619645.db2.gz GWNZOQHSRQLOIF-LLVKDONJSA-N 0 0 161.248 2.679 10 0 AFAERN CC(C)[C@](C)(O)c1ccccc1F 37379508 166621021 /nfs/dbraw/zinc/62/10/21/166621021.db2.gz WXCKFJRYCHOYHI-NSHDSACASA-N 0 0 182.238 2.689 10 0 AFAERN CC(C)[C@](C)(O)Cc1ccc(F)cc1 37463651 166621204 /nfs/dbraw/zinc/62/12/04/166621204.db2.gz HIWDYTQRWYBHFD-GFCCVEGCSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)[C@]1(C)CNc2ccccc2N1 76861096 166621400 /nfs/dbraw/zinc/62/14/00/166621400.db2.gz SGSYGEPFLALFPW-LBPRGKRZSA-N 0 0 190.290 2.939 10 0 AFAERN CC(C)[C@](C)(O)C1CCCC1 37380375 166622685 /nfs/dbraw/zinc/62/26/85/166622685.db2.gz LBFHTBGPRWEJBW-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@]1(O)CCc2ccccc2C1 37460407 166623261 /nfs/dbraw/zinc/62/32/61/166623261.db2.gz IUYHSOPMVIFDNG-ZDUSSCGKSA-N 0 0 190.286 2.562 10 0 AFAERN CC(C)[C@]1(O)CCCC[C@H]1C 37375762 166624343 /nfs/dbraw/zinc/62/43/43/166624343.db2.gz UKBWXNXBIGLPIY-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@]1(O)CCC[C@@H](C)C1 37375435 166624480 /nfs/dbraw/zinc/62/44/80/166624480.db2.gz FLDULGZAEKFCIK-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)c1cc(F)ccc1O 75838880 166625500 /nfs/dbraw/zinc/62/55/00/166625500.db2.gz RUMKXAAHHYYUCP-UHFFFAOYSA-N 0 0 154.184 2.655 10 0 AFAERN CC(C)c1c[nH]c2cc(N)ccc12 45817268 166625533 /nfs/dbraw/zinc/62/55/33/166625533.db2.gz ZLQSNQUTPLKHMV-UHFFFAOYSA-N 0 0 174.247 2.874 10 0 AFAERN CC(C)c1c(OC2CC2)ccnc1F 95727003 166625955 /nfs/dbraw/zinc/62/59/55/166625955.db2.gz OGBZRXSOUVHJGA-UHFFFAOYSA-N 0 0 195.237 2.885 10 0 AFAERN CC(C)c1c[nH]c2ccc(O)cc12 45808871 166626825 /nfs/dbraw/zinc/62/68/25/166626825.db2.gz AGUCHSMRRNZFRZ-UHFFFAOYSA-N 0 0 175.231 2.997 10 0 AFAERN CC(C)c1cc(N)cc(OC2CC2)c1 95722057 166626854 /nfs/dbraw/zinc/62/68/54/166626854.db2.gz VXVFKSKWCQJLBG-UHFFFAOYSA-N 0 0 191.274 2.933 10 0 AFAERN CC(C)c1c(O)cccc1F 95710278 166627172 /nfs/dbraw/zinc/62/71/72/166627172.db2.gz LJVJXWFTUVVEHA-UHFFFAOYSA-N 0 0 154.184 2.655 10 0 AFAERN CC(C)c1cc(N)ccc1OC1CC1 95720301 166629783 /nfs/dbraw/zinc/62/97/83/166629783.db2.gz LOSIIVQCBJXGIZ-UHFFFAOYSA-N 0 0 191.274 2.933 10 0 AFAERN CC(C)c1cc(NC(C)(C)C)n[nH]1 62669098 166630328 /nfs/dbraw/zinc/63/03/28/166630328.db2.gz FIIRWIXYJYYFQZ-UHFFFAOYSA-N 0 0 181.283 2.744 10 0 AFAERN CC(C)c1ccc([C@H](C)ON)cc1 19728743 166631308 /nfs/dbraw/zinc/63/13/08/166631308.db2.gz CECROQVIROTOKW-VIFPVBQESA-N 0 0 179.263 2.761 10 0 AFAERN CC(C)c1ccc(F)cc1O 95710382 166631892 /nfs/dbraw/zinc/63/18/92/166631892.db2.gz MZEPMBZJEPQOOK-UHFFFAOYSA-N 0 0 154.184 2.655 10 0 AFAERN CC(C)c1ccc(CC(N)=S)cc1 26516535 166632208 /nfs/dbraw/zinc/63/22/08/166632208.db2.gz GAFRSWKSRGOJMM-UHFFFAOYSA-N 0 0 193.315 2.639 10 0 AFAERN CC(C)c1ccc(OC2CC2)cc1N 95721321 166632325 /nfs/dbraw/zinc/63/23/25/166632325.db2.gz VDNKZWOMYUBYQU-UHFFFAOYSA-N 0 0 191.274 2.933 10 0 AFAERN CC(C)c1ccc([C@@H](C)ON)cc1 19728742 166632604 /nfs/dbraw/zinc/63/26/04/166632604.db2.gz CECROQVIROTOKW-SECBINFHSA-N 0 0 179.263 2.761 10 0 AFAERN CC(C)c1ccc(CCCO)cc1 19729349 166632706 /nfs/dbraw/zinc/63/27/06/166632706.db2.gz QGQOZOALQRBMDP-UHFFFAOYSA-N 0 0 178.275 2.735 10 0 AFAERN CC(C)c1ccc2c(c1)[C@H](C)C(=O)N2 41204760 166634279 /nfs/dbraw/zinc/63/42/79/166634279.db2.gz NGPCJIZVEPEAKU-QMMMGPOBSA-N 0 0 189.258 2.866 10 0 AFAERN CC(C)c1ccc2c(c1)NC(=O)CC2 57936718 166634384 /nfs/dbraw/zinc/63/43/84/166634384.db2.gz FMPUXAVAAVOHHH-UHFFFAOYSA-N 0 0 189.258 2.695 10 0 AFAERN CC(C)c1ccc2c(c1)CCC(=O)N2 62323010 166634630 /nfs/dbraw/zinc/63/46/30/166634630.db2.gz RXUFYBFUDUJPET-UHFFFAOYSA-N 0 0 189.258 2.695 10 0 AFAERN CC(C)c1[nH]nc2cc(Cl)ncc12 89220125 166635666 /nfs/dbraw/zinc/63/56/66/166635666.db2.gz DPYVXUQCHBTZRL-UHFFFAOYSA-N 0 0 195.653 2.735 10 0 AFAERN CC(C)c1coc2ccncc12 39103764 166636109 /nfs/dbraw/zinc/63/61/09/166636109.db2.gz FJOIZSMORSSUAP-UHFFFAOYSA-N 0 0 161.204 2.951 10 0 AFAERN CC(C)C1=CSC(=O)C1 100501698 166636270 /nfs/dbraw/zinc/63/62/70/166636270.db2.gz IPHGKMRQOOOGBM-UHFFFAOYSA-N 0 0 142.223 2.577 10 0 AFAERN CC(C)c1cnc(F)c(OC2CC2)c1 95726415 166636392 /nfs/dbraw/zinc/63/63/92/166636392.db2.gz IXIKCHMZMHSSEP-UHFFFAOYSA-N 0 0 195.237 2.885 10 0 AFAERN CC(C)c1csc(C=O)c1 39062652 166636594 /nfs/dbraw/zinc/63/65/94/166636594.db2.gz XQJYJCWQRXGNMN-UHFFFAOYSA-N 0 0 154.234 2.684 10 0 AFAERN CC(C)c1cnc(F)cc1OC1CC1 95719725 166636917 /nfs/dbraw/zinc/63/69/17/166636917.db2.gz HUVLATZMGZOOFY-UHFFFAOYSA-N 0 0 195.237 2.885 10 0 AFAERN CC(C)c1csc(NC2CC2)n1 61714564 166637439 /nfs/dbraw/zinc/63/74/39/166637439.db2.gz VPKKYXUJHMBTRO-UHFFFAOYSA-N 0 0 182.292 2.841 10 0 AFAERN CC(C)c1cncc(OC2CC2)c1F 95720592 166637730 /nfs/dbraw/zinc/63/77/30/166637730.db2.gz FXJMANBFBBWAMC-UHFFFAOYSA-N 0 0 195.237 2.885 10 0 AFAERN CC(C)c1cncc(F)c1OC1CC1 95723084 166637754 /nfs/dbraw/zinc/63/77/54/166637754.db2.gz XHDGHVRIWPUWJU-UHFFFAOYSA-N 0 0 195.237 2.885 10 0 AFAERN CC(C)c1nc(C2CC2)sc1N 50309160 166640855 /nfs/dbraw/zinc/64/08/55/166640855.db2.gz QGUMTERMEHRZLM-UHFFFAOYSA-N 0 0 182.292 2.726 10 0 AFAERN CC(C)c1nc([C@H](C)C2CC2)no1 307566293 166641079 /nfs/dbraw/zinc/64/10/79/166641079.db2.gz CTVHIBUPAPYFQI-SSDOTTSWSA-N 0 0 180.251 2.707 10 0 AFAERN CC(C)c1nc2cnccc2s1 75839018 166641671 /nfs/dbraw/zinc/64/16/71/166641671.db2.gz BSAMADUVWZTJHQ-UHFFFAOYSA-N 0 0 178.260 2.815 10 0 AFAERN CC(C)c1nc2ncccc2s1 89229281 166642680 /nfs/dbraw/zinc/64/26/80/166642680.db2.gz ZQODEQHWFJXWSF-UHFFFAOYSA-N 0 0 178.260 2.815 10 0 AFAERN CC(C)c1nc2c(F)cc(F)cc2[nH]1 76211240 166642854 /nfs/dbraw/zinc/64/28/54/166642854.db2.gz CNWRCVSXMNJZEO-UHFFFAOYSA-N 0 0 196.200 2.965 10 0 AFAERN CC(C)c1ncc(F)cc1OC1CC1 95727187 166643891 /nfs/dbraw/zinc/64/38/91/166643891.db2.gz LBXQDTLZLSIAEV-UHFFFAOYSA-N 0 0 195.237 2.885 10 0 AFAERN CC(C)c1ncnn1[C@@H]1CC[C@@H](C)C1 335301056 166644738 /nfs/dbraw/zinc/64/47/38/166644738.db2.gz RLZXOAAFFCJRJG-NXEZZACHSA-N 0 0 193.294 2.763 10 0 AFAERN CC(C)c1ncccc1OC1CC1 95723626 166646075 /nfs/dbraw/zinc/64/60/75/166646075.db2.gz FOLYZRCTERYJFM-UHFFFAOYSA-N 0 0 177.247 2.746 10 0 AFAERN CC(C)c1ncnn1[C@H]1CC[C@H](C)C1 335301057 166646442 /nfs/dbraw/zinc/64/64/42/166646442.db2.gz RLZXOAAFFCJRJG-UWVGGRQHSA-N 0 0 193.294 2.763 10 0 AFAERN CC(C)c1noc([C@H]2C[C@H]2C(C)C)n1 334758583 166647660 /nfs/dbraw/zinc/64/76/60/166647660.db2.gz GEVBZTCKUFTFIW-IUCAKERBSA-N 0 0 194.278 2.953 10 0 AFAERN CC(C)c1sc(C=O)cc1F 82400167 166647723 /nfs/dbraw/zinc/64/77/23/166647723.db2.gz CXOCZRDQKWQQIT-UHFFFAOYSA-N 0 0 172.224 2.823 10 0 AFAERN CC(C)c1noc(N)c1-c1ccco1 77276783 166647794 /nfs/dbraw/zinc/64/77/94/166647794.db2.gz KOXPVTINRRRIFI-UHFFFAOYSA-N 0 0 192.218 2.640 10 0 AFAERN CC(C)n1c(=S)[nH]c2cccnc21 75952406 166647949 /nfs/dbraw/zinc/64/79/49/166647949.db2.gz XWDRXKRUCDGYSQ-UHFFFAOYSA-N 0 0 193.275 2.675 10 0 AFAERN CC(C)n1c(=O)sc2ccccc21 39842107 166648215 /nfs/dbraw/zinc/64/82/15/166648215.db2.gz AEONEUSBNOLDLG-UHFFFAOYSA-N 0 0 193.271 2.644 10 0 AFAERN CC(C)c1noc([C@@H]2C[C@H]2C(C)C)n1 334758582 166648815 /nfs/dbraw/zinc/64/88/15/166648815.db2.gz GEVBZTCKUFTFIW-DTWKUNHWSA-N 0 0 194.278 2.953 10 0 AFAERN CC(C)n1cc2ccncc2c1 39103707 166649971 /nfs/dbraw/zinc/64/99/71/166649971.db2.gz NNWOKQLJKVTPPR-UHFFFAOYSA-N 0 0 160.220 2.617 10 0 AFAERN CC(C)n1ccc2c(O)cccc21 39104807 166650081 /nfs/dbraw/zinc/65/00/81/166650081.db2.gz RQYIXZFGEJJDJG-UHFFFAOYSA-N 0 0 175.231 2.928 10 0 AFAERN CC(C)n1ccc2c(CO)cccc21 20550528 166650390 /nfs/dbraw/zinc/65/03/90/166650390.db2.gz GWLALPWHOZQMOK-UHFFFAOYSA-N 0 0 189.258 2.715 10 0 AFAERN CC(C)n1cc(NC2CCCC2)cn1 61682420 166650545 /nfs/dbraw/zinc/65/05/45/166650545.db2.gz APZZXYNTRDXQCB-UHFFFAOYSA-N 0 0 193.294 2.819 10 0 AFAERN CC(C)n1cnc2c(F)cccc21 76208731 166651132 /nfs/dbraw/zinc/65/11/32/166651132.db2.gz ZYPBGPFYATUEMV-UHFFFAOYSA-N 0 0 178.210 2.756 10 0 AFAERN CC(C)n1cc(-c2ccccn2)cn1 1502037 166651136 /nfs/dbraw/zinc/65/11/36/166651136.db2.gz LBLQDCOEFDMDPR-UHFFFAOYSA-N 0 0 187.246 2.526 10 0 AFAERN CC(C)n1cnc2cc(F)ccc21 76208575 166651172 /nfs/dbraw/zinc/65/11/72/166651172.db2.gz DIQCRLBZSWDIHP-UHFFFAOYSA-N 0 0 178.210 2.756 10 0 AFAERN CC(C)n1ccsc1=S 39103659 166651201 /nfs/dbraw/zinc/65/12/01/166651201.db2.gz LVWAGZASYFCAAF-UHFFFAOYSA-N 0 0 159.279 2.860 10 0 AFAERN CC(C)n1ccccc1=S 39124553 166651587 /nfs/dbraw/zinc/65/15/87/166651587.db2.gz ROYPLDLQCQMPJW-UHFFFAOYSA-N 0 0 153.250 2.798 10 0 AFAERN CC(C)n1nccc1C(=O)C(C)(C)C 75854986 166652974 /nfs/dbraw/zinc/65/29/74/166652974.db2.gz BJNSCJJWOFJWBB-UHFFFAOYSA-N 0 0 194.278 2.693 10 0 AFAERN CC(C)n1nc(CC(C)(C)C)cc1N 40926749 166653148 /nfs/dbraw/zinc/65/31/48/166653148.db2.gz VHSJEYZLJKGLAJ-UHFFFAOYSA-N 0 0 195.310 2.635 10 0 AFAERN CC(C)n1cnc2ccc(F)cc21 76208573 166654047 /nfs/dbraw/zinc/65/40/47/166654047.db2.gz NNDWCZRVHTWKHO-UHFFFAOYSA-N 0 0 178.210 2.756 10 0 AFAERN CC/C(=C\C(C)(C)C)[N+](=O)[O-] 43291282 166656102 /nfs/dbraw/zinc/65/61/02/166656102.db2.gz CHGBJPLDLYFONX-VOTSOKGWSA-N 0 0 157.213 2.603 10 0 AFAERN CC/C(C)=C/c1cc(C)no1 39112831 166657873 /nfs/dbraw/zinc/65/78/73/166657873.db2.gz ZGCNRBMOSSOZQS-FNORWQNLSA-N 0 0 151.209 2.796 10 0 AFAERN CC/C(C)=C\C(C)C 111340634 166657898 /nfs/dbraw/zinc/65/78/98/166657898.db2.gz VFCHHMABGOYOQI-VURMDHGXSA-N 0 0 112.216 2.999 10 0 AFAERN CC/C(C)=C1/C(=O)Nc2ccccc21 206593956 166659047 /nfs/dbraw/zinc/65/90/47/166659047.db2.gz FURLUURZVUETJR-DHZHZOJOSA-N 0 0 187.242 2.822 10 0 AFAERN CC/C(C)=C/CCC(C)=O 2560627 166659242 /nfs/dbraw/zinc/65/92/42/166659242.db2.gz SAXWRVSDVXCTEL-SOFGYWHQSA-N 0 0 140.226 2.712 10 0 AFAERN CC/C=C\c1cccc(C)n1 39052033 166660319 /nfs/dbraw/zinc/66/03/19/166660319.db2.gz TZVBUPWUXDEEHX-DAXSKMNVSA-N 0 0 147.221 2.813 10 0 AFAERN CC/C=C\c1nc2ccccc2[nH]1 95923625 166660339 /nfs/dbraw/zinc/66/03/39/166660339.db2.gz IMUGHOFWCMPGRX-BAQGIRSFSA-N 0 0 172.231 2.986 10 0 AFAERN CC/C=C\Cc1cccc(OC)c1O 22003296 166660723 /nfs/dbraw/zinc/66/07/23/166660723.db2.gz CUCQQMWQVXXTSX-PLNGDYQASA-N 0 0 192.258 2.910 10 0 AFAERN CC/C=C\CCC 57988120 166660988 /nfs/dbraw/zinc/66/09/88/166660988.db2.gz WZHKDGJSXCTSCK-ALCCZGGFSA-N 0 0 98.189 2.753 10 0 AFAERN CC/C=C\c1ccncc1 72231191 166661025 /nfs/dbraw/zinc/66/10/25/166661025.db2.gz YIKYVFNFLHAUPA-ARJAWSKDSA-N 0 0 133.194 2.505 10 0 AFAERN CC/C=C\c1cncc(C)c1 256011642 166661183 /nfs/dbraw/zinc/66/11/83/166661183.db2.gz XQJYAGYIJWEZLV-PLNGDYQASA-N 0 0 147.221 2.813 10 0 AFAERN CC/C=C\c1cccc(O)c1 45793141 166661272 /nfs/dbraw/zinc/66/12/72/166661272.db2.gz NQDIPEZLIPEBNC-HYXAFXHYSA-N 0 0 148.205 2.815 10 0 AFAERN CC/C=C\Cc1ccco1 33843911 166661393 /nfs/dbraw/zinc/66/13/93/166661393.db2.gz KQMWMXVDLIDHGY-ARJAWSKDSA-N 0 0 136.194 2.788 10 0 AFAERN CCC=Cc1nc2c(o1)CCCC2=O 90372788 166661579 /nfs/dbraw/zinc/66/15/79/166661579.db2.gz GFTGNLLCHQXYCG-CLTKARDFSA-N 0 0 191.230 2.617 10 0 AFAERN CC1(C(=O)c2cccs2)CC1 71496050 166664998 /nfs/dbraw/zinc/66/49/98/166664998.db2.gz GBJXMPOUQARGEZ-UHFFFAOYSA-N 0 0 166.245 2.731 10 0 AFAERN CC1(C(=O)c2ccccc2)CC1 39189694 166666147 /nfs/dbraw/zinc/66/61/47/166666147.db2.gz CWLDTYUBPBRCCF-UHFFFAOYSA-N 0 0 160.216 2.669 10 0 AFAERN CC1(C)C=Cc2ccsc2O1 39294499 166666919 /nfs/dbraw/zinc/66/69/19/166666919.db2.gz DKEBAMIUGVCKSC-UHFFFAOYSA-N 0 0 166.245 2.932 10 0 AFAERN CC1(C)CC(=O)c2c(F)ccc(F)c21 39269308 166669335 /nfs/dbraw/zinc/66/93/35/166669335.db2.gz FPTSVKRXAPBNOQ-UHFFFAOYSA-N 0 0 196.196 2.829 10 0 AFAERN CC1(C)CCC2(CCC2)C1=O 39111531 166671700 /nfs/dbraw/zinc/67/17/00/166671700.db2.gz HSNBYJBIGSHJMD-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CC1(C)CC[C@@H](O)c2ccccc21 19727061 166677004 /nfs/dbraw/zinc/67/70/04/166677004.db2.gz MEFVOBKOEJGUQI-LLVKDONJSA-N 0 0 176.259 2.791 10 0 AFAERN CC1(C)CC[C@@H](O)c2cc(F)ccc21 19727065 166677232 /nfs/dbraw/zinc/67/72/32/166677232.db2.gz WPYVOTSTLOURJU-LLVKDONJSA-N 0 0 194.249 2.931 10 0 AFAERN CC1(C)CC[C@@H](SCC2CC2)C1=O 334826976 166677679 /nfs/dbraw/zinc/67/76/79/166677679.db2.gz GBBAQJXWULXXFW-SECBINFHSA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)CC[C@@H](n2cccn2)C1 335301619 166677911 /nfs/dbraw/zinc/67/79/11/166677911.db2.gz YPEXZQSRZPGVHI-SECBINFHSA-N 0 0 164.252 2.634 10 0 AFAERN CC1(C)CCNc2ccccc2O1 62519837 166677923 /nfs/dbraw/zinc/67/79/23/166677923.db2.gz VSIVQYRMKWOFRK-UHFFFAOYSA-N 0 0 177.247 2.660 10 0 AFAERN CC1(C)CCO[C@H](c2ccccc2)O1 45817338 166678129 /nfs/dbraw/zinc/67/81/29/166678129.db2.gz QHRRJVRLIXTKIU-NSHDSACASA-N 0 0 192.258 2.901 10 0 AFAERN CC1(C)CC[C@H](SCC2CC2)C1=O 334826984 166680470 /nfs/dbraw/zinc/68/04/70/166680470.db2.gz GBBAQJXWULXXFW-VIFPVBQESA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)CNc2cc(F)c(F)cc2N1 57923153 166683092 /nfs/dbraw/zinc/68/30/92/166683092.db2.gz MGAJOSBHMGVONJ-UHFFFAOYSA-N 0 0 198.216 2.581 10 0 AFAERN CC1(C)CNc2cc(F)ccc2OC1 62522058 166684562 /nfs/dbraw/zinc/68/45/62/166684562.db2.gz XJBMUPZJZMQBKQ-UHFFFAOYSA-N 0 0 195.237 2.656 10 0 AFAERN CC1(C)C[C@@H]1Nc1cc(F)ccc1N 52122099 166687069 /nfs/dbraw/zinc/68/70/69/166687069.db2.gz FUEICNUREIEQGX-JTQLQIEISA-N 0 0 194.253 2.618 10 0 AFAERN CC1(C)C[C@@H]1c1nc(CC2CC2)no1 335777846 166688013 /nfs/dbraw/zinc/68/80/13/166688013.db2.gz DZFXKNWRXVXNSB-MRVPVSSYSA-N 0 0 192.262 2.536 10 0 AFAERN CC1(C)C[C@H]1Nc1cc(N)cc(F)c1 45118075 166691002 /nfs/dbraw/zinc/69/10/02/166691002.db2.gz ZJDQFSPUKFFEOC-SNVBAGLBSA-N 0 0 194.253 2.618 10 0 AFAERN CC1(C)C[C@H]1n1cc[nH]c1=S 45135753 166692276 /nfs/dbraw/zinc/69/22/76/166692276.db2.gz KBOJUOILPSXVMU-ZCFIWIBFSA-N 0 0 168.265 2.517 10 0 AFAERN CC1(C)C[C@H]1Nc1ccc(N)cc1F 45117730 166692649 /nfs/dbraw/zinc/69/26/49/166692649.db2.gz FIOLZNMHWFMGQC-SNVBAGLBSA-N 0 0 194.253 2.618 10 0 AFAERN CC1(C)OCC[C@H](c2ccccc2)O1 39120271 166697089 /nfs/dbraw/zinc/69/70/89/166697089.db2.gz KCEXUGIHDXCPCJ-LLVKDONJSA-N 0 0 192.258 2.901 10 0 AFAERN CC1(C)Oc2ccccc2NC1=S 75883231 166698861 /nfs/dbraw/zinc/69/88/61/166698861.db2.gz PSKQTIVYPUIDHK-UHFFFAOYSA-N 0 0 193.271 2.597 10 0 AFAERN CC1(Cl)CCCC1 1605834 166706811 /nfs/dbraw/zinc/70/68/11/166706811.db2.gz XDULUGNXCNQBNS-UHFFFAOYSA-N 0 0 118.607 2.558 10 0 AFAERN CC1(Nc2ccc(F)cn2)CCCC1 42187578 166707926 /nfs/dbraw/zinc/70/79/26/166707926.db2.gz YEMJWVXJCJRNRF-UHFFFAOYSA-N 0 0 194.253 2.965 10 0 AFAERN CC1(Nc2ncccc2F)CCCC1 54700744 166709333 /nfs/dbraw/zinc/70/93/33/166709333.db2.gz XOZUBIBXWSDSCE-UHFFFAOYSA-N 0 0 194.253 2.965 10 0 AFAERN CC1(c2noc(C3(C)CCC3)n2)CC1 334881467 166710691 /nfs/dbraw/zinc/71/06/91/166710691.db2.gz NBULLFVWSQSBGB-UHFFFAOYSA-N 0 0 192.262 2.563 10 0 AFAERN CC1(c2nc3ccccc3[nH]2)CC1 95923654 166711065 /nfs/dbraw/zinc/71/10/65/166711065.db2.gz XALYOHSTMDJDAO-UHFFFAOYSA-N 0 0 172.231 2.614 10 0 AFAERN CC1(c2noc([C@H]3CC3(C)C)n2)CC1 334879571 166711248 /nfs/dbraw/zinc/71/12/48/166711248.db2.gz BPUDOESSVJTPDY-SSDOTTSWSA-N 0 0 192.262 2.635 10 0 AFAERN CC1(c2ccccc2O)CC=CC1 75564681 166711689 /nfs/dbraw/zinc/71/16/89/166711689.db2.gz AZOWQLPIYPQOQS-UHFFFAOYSA-N 0 0 174.243 3.000 10 0 AFAERN CC1=C(C(C)C)[C@@H](O)CCC1 39103283 166713517 /nfs/dbraw/zinc/71/35/17/166713517.db2.gz GSSZVQVJTPIWHV-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN CC1=C(C(C)C)C[C@H](O)CC1 39059524 166713628 /nfs/dbraw/zinc/71/36/28/166713628.db2.gz DGYIQKCRGZWREA-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CC1=CC[C@@H](C)CC1 96330999 166725709 /nfs/dbraw/zinc/72/57/09/166725709.db2.gz KMGDYKOGDOVDCW-MRVPVSSYSA-N 0 0 110.200 2.753 10 0 AFAERN CC1=CCP(c2ccccc2)C1 2572433 166725852 /nfs/dbraw/zinc/72/58/52/166725852.db2.gz CWKYHZMWPLSOFA-UHFFFAOYSA-N 0 0 176.199 2.754 10 0 AFAERN CC1=C[C@@H](CC(C)C)OCC1 5767610 166731043 /nfs/dbraw/zinc/73/10/43/166731043.db2.gz DGADRHUEAJVDQN-SNVBAGLBSA-N 0 0 154.253 2.768 10 0 AFAERN CC1=Nc2ccccc2CC1 5306779 166740003 /nfs/dbraw/zinc/74/00/03/166740003.db2.gz VNZWNRCFUPHWMN-UHFFFAOYSA-N 0 0 145.205 2.725 10 0 AFAERN CC1=Nc2ccccc2N[C@@H]1C 78958951 166740167 /nfs/dbraw/zinc/74/01/67/166740167.db2.gz RWGVFDLCOXUIKI-SSDOTTSWSA-N 0 0 160.220 2.593 10 0 AFAERN CCC(=O)CC[C@H](C)CC 14592603 166754690 /nfs/dbraw/zinc/75/46/90/166754690.db2.gz JKCBSCZEUOCWHW-MRVPVSSYSA-N 0 0 142.242 2.792 10 0 AFAERN CCC(=O)C1CCC(C)CC1 44983333 166755053 /nfs/dbraw/zinc/75/50/53/166755053.db2.gz UAYNQGANCONQDQ-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)CCC(C)(C)C 39650881 166756772 /nfs/dbraw/zinc/75/67/72/166756772.db2.gz LZILNQYBCXIMGZ-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN CCC(=O)CCc1ccccc1C 36683743 166757227 /nfs/dbraw/zinc/75/72/27/166757227.db2.gz YPAQKGQZIYBQGT-UHFFFAOYSA-N 0 0 176.259 2.907 10 0 AFAERN CCC(=O)CCc1cccs1 36683753 166757404 /nfs/dbraw/zinc/75/74/04/166757404.db2.gz SJYDWTUGCAEBTP-UHFFFAOYSA-N 0 0 168.261 2.660 10 0 AFAERN CCC(=O)CO[C@@H]1CCC[C@@H](C)C1 50181461 166757700 /nfs/dbraw/zinc/75/77/00/166757700.db2.gz WJLCCJZMJRBDBH-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)CO[C@@H](C)c1ccccc1 50181668 166758980 /nfs/dbraw/zinc/75/89/80/166758980.db2.gz OERDFYSZXZVLHD-JTQLQIEISA-N 0 0 192.258 2.743 10 0 AFAERN CCC(=O)Cc1cc(C)cc(C)c1 38077180 166759149 /nfs/dbraw/zinc/75/91/49/166759149.db2.gz IYXXGYQLQDCOON-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN CCC(=O)COc1cccc(C)c1C 50181259 166759672 /nfs/dbraw/zinc/75/96/72/166759672.db2.gz YZUVESDUSVPJFA-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN CCC(=O)COC1CCC(C)CC1 50181130 166759898 /nfs/dbraw/zinc/75/98/98/166759898.db2.gz ZFOMFMIEHPKIAN-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)CO[C@@H]1CCC[C@H](C)C1 50181459 166759965 /nfs/dbraw/zinc/75/99/65/166759965.db2.gz WJLCCJZMJRBDBH-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)Cc1sccc1C 58003766 166760091 /nfs/dbraw/zinc/76/00/91/166760091.db2.gz NPXZXEQSCHVFJJ-UHFFFAOYSA-N 0 0 168.261 2.578 10 0 AFAERN CCC(=O)N1CCC[C@@H]1CC(C)(C)C 336435639 166760781 /nfs/dbraw/zinc/76/07/81/166760781.db2.gz AEWWQFKPTWMJOS-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN CCC(=O)N[C@@H]1CCCC[C@@H]1C(C)C 112668366 166768394 /nfs/dbraw/zinc/76/83/94/166768394.db2.gz VIQCHDQNBYGBQR-GHMZBOCLSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(=O)OC1CCCCCC1 39089718 166771476 /nfs/dbraw/zinc/77/14/76/166771476.db2.gz HGMZAXNHGAJOSO-UHFFFAOYSA-N 0 0 170.252 2.662 10 0 AFAERN CCC(=O)[C@H](C)C1CCCC1 76590251 166772524 /nfs/dbraw/zinc/77/25/24/166772524.db2.gz FIIWFYDYOOTROD-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)[C@@H]1CCC[C@H](C)C1 44979438 166773061 /nfs/dbraw/zinc/77/30/61/166773061.db2.gz GTGTUXHMISGXAS-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)Oc1cc(C)cc(C)c1 5417038 166773572 /nfs/dbraw/zinc/77/35/72/166773572.db2.gz GTCXLDAXYLNXFJ-UHFFFAOYSA-N 0 0 178.231 2.619 10 0 AFAERN CCC(=O)[C@@H](C)Cc1ccc(F)cc1 41206664 166774050 /nfs/dbraw/zinc/77/40/50/166774050.db2.gz WIZHZUCZWMXDLN-VIFPVBQESA-N 0 0 194.249 2.983 10 0 AFAERN CCC(=O)[C@H](C)[C@H](C)CC 5651092 166774607 /nfs/dbraw/zinc/77/46/07/166774607.db2.gz IRIIDIBXOJRBDH-HTQZYQBOSA-N 0 0 142.242 2.648 10 0 AFAERN CCC(=O)c1c(C)ccc(C)c1O 34260341 166776141 /nfs/dbraw/zinc/77/61/41/166776141.db2.gz ISFGCMAPRWJFAK-UHFFFAOYSA-N 0 0 178.231 2.602 10 0 AFAERN CCC(=O)c1ccc(N(C)C)c(C)c1 36203333 166776231 /nfs/dbraw/zinc/77/62/31/166776231.db2.gz SMUNVRXDSXIRPQ-UHFFFAOYSA-N 0 0 191.274 2.654 10 0 AFAERN CCC(=O)c1ccc2c(c1)CCCN2 31893427 166776467 /nfs/dbraw/zinc/77/64/67/166776467.db2.gz SCHGBFSJRPWUFD-UHFFFAOYSA-N 0 0 189.258 2.637 10 0 AFAERN CCC(=O)c1c[nH]c2cc(F)ccc12 36947617 166776669 /nfs/dbraw/zinc/77/66/69/166776669.db2.gz JSENFHBUIXUCOV-UHFFFAOYSA-N 0 0 191.205 2.900 10 0 AFAERN CCC(=O)c1ccc2ncccc2c1 481253 166776752 /nfs/dbraw/zinc/77/67/52/166776752.db2.gz JMMPLNLLKKOBPY-UHFFFAOYSA-N 0 0 185.226 2.828 10 0 AFAERN CCC(=O)c1cc(CC)ccc1OC 71464018 166776839 /nfs/dbraw/zinc/77/68/39/166776839.db2.gz HCCIRXKXFURPHZ-UHFFFAOYSA-N 0 0 192.258 2.850 10 0 AFAERN CCC(=O)c1cc2ccccc2[nH]1 37632842 166777058 /nfs/dbraw/zinc/77/70/58/166777058.db2.gz MDSVJSWKWSZTML-UHFFFAOYSA-N 0 0 173.215 2.761 10 0 AFAERN CCC(=O)c1cnc2ccccc2c1 37761577 166779712 /nfs/dbraw/zinc/77/97/12/166779712.db2.gz ZNFIIFOGFGSYKA-UHFFFAOYSA-N 0 0 185.226 2.828 10 0 AFAERN CCC(C)(C)CC(=O)N1[C@H](C)C[C@H]1C 336066316 166781287 /nfs/dbraw/zinc/78/12/87/166781287.db2.gz LNRJXQSPMOLJOL-NXEZZACHSA-N 0 0 197.322 2.822 10 0 AFAERN CCC(C)(C)CC(=O)N1C[C@@H](C)[C@H]1C 334246879 166781511 /nfs/dbraw/zinc/78/15/11/166781511.db2.gz VAUJHWBGLHYVBT-NXEZZACHSA-N 0 0 197.322 2.680 10 0 AFAERN CCC(C)(C)CC(=O)N1C[C@H](C)[C@@H]1C 334246880 166781603 /nfs/dbraw/zinc/78/16/03/166781603.db2.gz VAUJHWBGLHYVBT-UWVGGRQHSA-N 0 0 197.322 2.680 10 0 AFAERN CCC(C)(C)CC(=O)N1[C@@H](C)C[C@@H]1C 336066317 166782155 /nfs/dbraw/zinc/78/21/55/166782155.db2.gz LNRJXQSPMOLJOL-UWVGGRQHSA-N 0 0 197.322 2.822 10 0 AFAERN CCC(C)(C)Nc1cncc(Cl)n1 43537259 166782938 /nfs/dbraw/zinc/78/29/38/166782938.db2.gz CBMNZSGPNUBYLF-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN CCC(C)(C)OCCCC[C@H](C)O 45622041 166783354 /nfs/dbraw/zinc/78/33/54/166783354.db2.gz QDJYNXCMNMCXAQ-JTQLQIEISA-N 0 0 188.311 2.743 10 0 AFAERN CCC(C)(C)Nc1ccnc(Cl)n1 51849210 166784043 /nfs/dbraw/zinc/78/40/43/166784043.db2.gz XUBNQDWMHYUYAN-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN CCC(C)(C)[C@H]1CCC(=O)C1 2528241 166785349 /nfs/dbraw/zinc/78/53/49/166785349.db2.gz FFMFNTCHCSZACM-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(C)(C)[C@@H](O)C(C)(C)C 17425330 166785949 /nfs/dbraw/zinc/78/59/49/166785949.db2.gz LKAPNEGVXBMYKE-QMMMGPOBSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(C)(C)c1nc(C2(C)CC2)no1 334881964 166786372 /nfs/dbraw/zinc/78/63/72/166786372.db2.gz PSPKUWXEIWKJGC-UHFFFAOYSA-N 0 0 194.278 2.809 10 0 AFAERN CCC(C)(C)c1nc([C@@H]2C[C@H]2C)no1 336446360 166786518 /nfs/dbraw/zinc/78/65/18/166786518.db2.gz VPICPPIFYRCVHU-HTQZYQBOSA-N 0 0 194.278 2.881 10 0 AFAERN CCC(C)(C)n1cccc1 35651196 166787115 /nfs/dbraw/zinc/78/71/15/166787115.db2.gz GGPIELZJTKOULW-UHFFFAOYSA-N 0 0 137.226 2.633 10 0 AFAERN CCC(C)(C)c1nc([C@@H]2C[C@@H]2C)no1 336446361 166787228 /nfs/dbraw/zinc/78/72/28/166787228.db2.gz VPICPPIFYRCVHU-JGVFFNPUSA-N 0 0 194.278 2.881 10 0 AFAERN CCC(CC)C(=O)C(C)C 39629441 166789373 /nfs/dbraw/zinc/78/93/73/166789373.db2.gz SPLBTWOVRQPGQN-UHFFFAOYSA-N 0 0 142.242 2.648 10 0 AFAERN CCC(CC)N(C)c1ccc(C=O)o1 50544163 166794462 /nfs/dbraw/zinc/79/44/62/166794462.db2.gz FWADGSRFEDXLAY-UHFFFAOYSA-N 0 0 195.262 2.717 10 0 AFAERN CCC(CC)c1nc(C)sc1N 50308154 166799493 /nfs/dbraw/zinc/79/94/93/166799493.db2.gz REOLOSBFIPYUPD-UHFFFAOYSA-N 0 0 184.308 2.937 10 0 AFAERN CCC(CC)[C@@](C)(O)CC 5819216 166799907 /nfs/dbraw/zinc/79/99/07/166799907.db2.gz DUGZCTGTSJAPCV-VIFPVBQESA-N 0 0 144.258 2.584 10 0 AFAERN CCC(CC)c1nc(C=O)cs1 51690620 166800124 /nfs/dbraw/zinc/80/01/24/166800124.db2.gz JNYCBGGSVBWCIG-UHFFFAOYSA-N 0 0 183.276 2.859 10 0 AFAERN CCC(CC)n1cc[nH]c1=S 26515781 166800989 /nfs/dbraw/zinc/80/09/89/166800989.db2.gz NYJWBYRNWLNDMB-UHFFFAOYSA-N 0 0 170.281 2.907 10 0 AFAERN CCC(O)(CC)c1ccc(F)cc1 37462792 166802622 /nfs/dbraw/zinc/80/26/22/166802622.db2.gz KPTARFXLMVRLBO-UHFFFAOYSA-N 0 0 182.238 2.833 10 0 AFAERN CCC(O)(CC)c1cccs1 40237531 166802822 /nfs/dbraw/zinc/80/28/22/166802822.db2.gz MZACNMXNVWKHDZ-UHFFFAOYSA-N 0 0 170.277 2.756 10 0 AFAERN CCC1(CC)OC(=O)Nc2cocc21 39091162 166804565 /nfs/dbraw/zinc/80/45/65/166804565.db2.gz VJVWQZUHQFPMQO-UHFFFAOYSA-N 0 0 195.218 2.857 10 0 AFAERN CCC1(CC)N=C[C@H](C)S1 33878714 166805048 /nfs/dbraw/zinc/80/50/48/166805048.db2.gz FDXSPXKBBUGGJB-ZETCQYMHSA-N 0 0 157.282 2.709 10 0 AFAERN CCC1(CC)COC(C)(C)OC1 148097186 166805994 /nfs/dbraw/zinc/80/59/94/166805994.db2.gz XOWOPWRJQUHRDZ-UHFFFAOYSA-N 0 0 172.268 2.576 10 0 AFAERN CCC1CCC2(CCC(=O)O2)CC1 59536630 166812295 /nfs/dbraw/zinc/81/22/95/166812295.db2.gz GITDWIBIPJFPDK-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CCC1CCC(Nc2cn[nH]c2)CC1 35764049 166813307 /nfs/dbraw/zinc/81/33/07/166813307.db2.gz NBGHSJUASWWHNX-UHFFFAOYSA-N 0 0 193.294 2.790 10 0 AFAERN CCC1CN(c2ccc(C)cc2)C1 104842179 166815567 /nfs/dbraw/zinc/81/55/67/166815567.db2.gz NZZPECCYSRVNCK-UHFFFAOYSA-N 0 0 175.275 2.841 10 0 AFAERN CCCC(=O)Cc1cc(F)cc(F)c1 49348195 166817534 /nfs/dbraw/zinc/81/75/34/166817534.db2.gz NJPOVGFKJSOQDE-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN CCCC(=O)COCC1CCCCC1 52155020 166817742 /nfs/dbraw/zinc/81/77/42/166817742.db2.gz VFFDPKSGTDNHQU-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CCCC(=O)CSCc1ccco1 50185908 166818344 /nfs/dbraw/zinc/81/83/44/166818344.db2.gz XPKCLJFFHSVIEV-UHFFFAOYSA-N 0 0 198.287 2.882 10 0 AFAERN CCCC(=O)C1(C)SCCS1 62719888 166818465 /nfs/dbraw/zinc/81/84/65/166818465.db2.gz QFVNDGCNLVXYNO-UHFFFAOYSA-N 0 0 190.333 2.552 10 0 AFAERN CCCC(=O)CO[C@H]1CCC[C@H](C)C1 50185385 166818874 /nfs/dbraw/zinc/81/88/74/166818874.db2.gz NGKYCGVOKSORGC-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC(=O)Cc1ccsc1 38125615 166818953 /nfs/dbraw/zinc/81/89/53/166818953.db2.gz HEYLWAIATLWBTC-UHFFFAOYSA-N 0 0 168.261 2.660 10 0 AFAERN CCCC(=O)CCC1CCOCC1 52173678 166819062 /nfs/dbraw/zinc/81/90/62/166819062.db2.gz MOTQAZDKWPOCJT-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCCC(=O)CO[C@H]1CCCC[C@H]1C 50185155 166819318 /nfs/dbraw/zinc/81/93/18/166819318.db2.gz GQBSPMSPPDPASA-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC(=O)[C@H]1CCO[C@](C)(CC)C1 295484 166832610 /nfs/dbraw/zinc/83/26/10/166832610.db2.gz QMRLJNHJSNFORK-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC(=O)c1ccc2c(c1)CCO2 36942050 166834294 /nfs/dbraw/zinc/83/42/94/166834294.db2.gz FGGPEWNPFJAVCV-UHFFFAOYSA-N 0 0 190.242 2.604 10 0 AFAERN CCCC(CCC)C(C)=O 26492622 166834441 /nfs/dbraw/zinc/83/44/41/166834441.db2.gz RXFAGYKLLRXFDX-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN CCCC(=O)c1ccc(C)c(C)c1O 41205943 166834545 /nfs/dbraw/zinc/83/45/45/166834545.db2.gz KYEUHCZHDWGHKD-UHFFFAOYSA-N 0 0 192.258 2.992 10 0 AFAERN CCCC(CCC)COC(=O)NC 84738805 166835168 /nfs/dbraw/zinc/83/51/68/166835168.db2.gz HPQSSMIWHZDDLU-UHFFFAOYSA-N 0 0 187.283 2.559 10 0 AFAERN CCCC(=O)c1ccc(N)c(C)c1C 75580223 166835204 /nfs/dbraw/zinc/83/52/04/166835204.db2.gz JTMAFGAYJDKLPC-UHFFFAOYSA-N 0 0 191.274 2.868 10 0 AFAERN CCCC(=O)c1ccc2c(c1)CCN2 31947536 166835927 /nfs/dbraw/zinc/83/59/27/166835927.db2.gz WQYQTOFMIYCDBQ-UHFFFAOYSA-N 0 0 189.258 2.637 10 0 AFAERN CCCC1(C)SCCS1 2002130 166837024 /nfs/dbraw/zinc/83/70/24/166837024.db2.gz JQUCKLQXVFVCTH-UHFFFAOYSA-N 0 0 162.323 2.983 10 0 AFAERN CCCC(CCC)n1nccc1N 19394163 166837220 /nfs/dbraw/zinc/83/72/20/166837220.db2.gz UJQMHZKNTPWDGE-UHFFFAOYSA-N 0 0 181.283 2.607 10 0 AFAERN CCCC1(C(=O)N2[C@@H](C)C[C@@H]2C)CC1 335338652 166837463 /nfs/dbraw/zinc/83/74/63/166837463.db2.gz DJFLNORDKZVJHT-UWVGGRQHSA-N 0 0 195.306 2.576 10 0 AFAERN CCCC(CCC)n1nc(N)cc1C 67799535 166837821 /nfs/dbraw/zinc/83/78/21/166837821.db2.gz LHLYQJJZRPTVHL-UHFFFAOYSA-N 0 0 195.310 2.915 10 0 AFAERN CCCC/C=C\[C@H](O)C(F)(F)F 95611830 166837867 /nfs/dbraw/zinc/83/78/67/166837867.db2.gz NESSQZCQGNUABZ-RBSILHGTSA-N 0 0 182.185 2.656 10 0 AFAERN CCCC1CCC1 60123362 166839764 /nfs/dbraw/zinc/83/97/64/166839764.db2.gz GAGITJRONXSBFC-UHFFFAOYSA-N 0 0 98.189 2.587 10 0 AFAERN CCCC1S[C@H](C)N[C@@H](C)S1 204821016 166840107 /nfs/dbraw/zinc/84/01/07/166840107.db2.gz BLPPMRPCYSNRGW-RNFRBKRXSA-N 0 0 191.365 2.874 10 0 AFAERN CCCC1=C[C@H](O)CCCC1 45793227 166840391 /nfs/dbraw/zinc/84/03/91/166840391.db2.gz JLWMGNWORRHQQJ-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC1(O)CCC(C)CC1 37375522 166841028 /nfs/dbraw/zinc/84/10/28/166841028.db2.gz LHFOWXFFGYVOIQ-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN CCCC1CCC(N(C)C(C)=O)CC1 336568674 166841200 /nfs/dbraw/zinc/84/12/00/166841200.db2.gz IBWQLITZKHLURP-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCC(=O)C(F)(F)Cl 1675537 166841696 /nfs/dbraw/zinc/84/16/96/166841696.db2.gz RMIIWSVYLUETRK-UHFFFAOYSA-N 0 0 170.586 2.577 10 0 AFAERN CCCCC(=O)N1C[C@H](C)CC[C@@H]1C 336401771 166842124 /nfs/dbraw/zinc/84/21/24/166842124.db2.gz LGXWXEDBCJEUHG-MNOVXSKESA-N 0 0 197.322 2.824 10 0 AFAERN CCCCC(=O)N1CC(C)=C[C@@H](C)C1 335333500 166842342 /nfs/dbraw/zinc/84/23/42/166842342.db2.gz IZKWRTWUEAYKGK-SNVBAGLBSA-N 0 0 195.306 2.601 10 0 AFAERN CCCCC(=O)C[C@@H]1CCCCC1=O 104841492 166842662 /nfs/dbraw/zinc/84/26/62/166842662.db2.gz KGCUDFPGZYOGJW-JTQLQIEISA-N 0 0 196.290 2.895 10 0 AFAERN CCCCC(=O)N1CCCCC[C@H]1C 334326048 166843157 /nfs/dbraw/zinc/84/31/57/166843157.db2.gz LELZDTIOIJCFOU-LLVKDONJSA-N 0 0 197.322 2.968 10 0 AFAERN CCCCC(=O)N1CCC(C)=C(C)C1 334788406 166843818 /nfs/dbraw/zinc/84/38/18/166843818.db2.gz DQTDJFNBIKQALX-UHFFFAOYSA-N 0 0 195.306 2.745 10 0 AFAERN CCCCC(=O)c1ccc(C)o1 43609151 166844585 /nfs/dbraw/zinc/84/45/85/166844585.db2.gz YJWUSOPWBBNFLL-UHFFFAOYSA-N 0 0 166.220 2.961 10 0 AFAERN CCCCC(=O)c1ccoc1 5308274 166844632 /nfs/dbraw/zinc/84/46/32/166844632.db2.gz WLDBCHDBYKPIJX-UHFFFAOYSA-N 0 0 152.193 2.653 10 0 AFAERN CCCCC(CO)CCCC 1841034 166845059 /nfs/dbraw/zinc/84/50/59/166845059.db2.gz LAPPDPWPIZBBJY-UHFFFAOYSA-N 0 0 158.285 2.975 10 0 in-vitro AFAERN CCCCC(=O)Oc1ccc(F)cc1 40889928 166845586 /nfs/dbraw/zinc/84/55/86/166845586.db2.gz FZEWYLHHGGZVTE-UHFFFAOYSA-N 0 0 196.221 2.921 10 0 AFAERN CCCCC/C=C\C=C/C(=O)OC 83316743 166846568 /nfs/dbraw/zinc/84/65/68/166846568.db2.gz SFHSEXGIVSBRRK-QRLRYFCNSA-N 0 0 182.263 2.852 10 0 AFAERN CCCCC1CC(C(C)=O)C1 39070062 166847023 /nfs/dbraw/zinc/84/70/23/166847023.db2.gz AIFNLIZVRXEKQU-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCC/C=C/OC(C)=O 5820036 166847050 /nfs/dbraw/zinc/84/70/50/166847050.db2.gz JMFFUDMJDZXYCT-BQYQJAHWSA-N 0 0 156.225 2.644 10 0 AFAERN CCCCCCC1OCCCO1 4410275 166849376 /nfs/dbraw/zinc/84/93/76/166849376.db2.gz DZTPGFWGNFJQFG-UHFFFAOYSA-N 0 0 172.268 2.720 10 0 AFAERN CCCCCCSCCCO 39240889 166853841 /nfs/dbraw/zinc/85/38/41/166853841.db2.gz HXNACWBSFILCLN-UHFFFAOYSA-N 0 0 176.325 2.682 10 0 AFAERN CCCCCCO[C@H](C)OC 5820345 166854001 /nfs/dbraw/zinc/85/40/01/166854001.db2.gz COARODKCNGNOQZ-SECBINFHSA-N 0 0 160.257 2.576 10 0 AFAERN CCCCCCOC[C@@H](O)CCC 50194049 166854368 /nfs/dbraw/zinc/85/43/68/166854368.db2.gz GVQLQKBMLCMQRB-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCCCCCOCCC[C@H](C)O 45622058 166854446 /nfs/dbraw/zinc/85/44/46/166854446.db2.gz RPUYCXZCWFRDTB-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCCCCCOCC(=O)CC 50181445 166854544 /nfs/dbraw/zinc/85/45/44/166854544.db2.gz SUSLUZUQLRHQAO-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN CCCCCCOc1ccncc1N 20507084 166854955 /nfs/dbraw/zinc/85/49/55/166854955.db2.gz LUZXANROYFOAET-UHFFFAOYSA-N 0 0 194.278 2.623 10 0 AFAERN CCCCCC[C@@H](O)C1CC1 53784672 166855843 /nfs/dbraw/zinc/85/58/43/166855843.db2.gz BOWFLIVPGRJJIP-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CCCCCC[C@@H]1C[C@@H]1C(=O)OC 95931731 166856398 /nfs/dbraw/zinc/85/63/98/166856398.db2.gz XUNYOLFFGUIJSI-ZJUUUORDSA-N 0 0 184.279 2.766 10 0 AFAERN CCCCCC[C@H](C)[C@H](C)O 3137266 166857253 /nfs/dbraw/zinc/85/72/53/166857253.db2.gz QCBDLZKDRUKOFS-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CCCCCC[C@@H]1CC[S@@](=O)C1 5524202 166857413 /nfs/dbraw/zinc/85/74/13/166857413.db2.gz YIMUSBYGQWKFIX-PWSUYJOCSA-N 0 0 188.336 2.725 10 0 AFAERN CCCCCC[C@@H]1C=CC[C@@H]1O 22009108 166858144 /nfs/dbraw/zinc/85/81/44/166858144.db2.gz NIHWVOIBKQSVAE-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN CCCCCN(CC(C)C)C(C)=O 39126458 166859620 /nfs/dbraw/zinc/85/96/20/166859620.db2.gz YJFNSQLPIZHWKP-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN CCCCCNc1ccccc1CO 35022305 166865451 /nfs/dbraw/zinc/86/54/51/166865451.db2.gz PGDZILBKGMMUPD-UHFFFAOYSA-N 0 0 193.290 2.781 10 0 AFAERN CCCCCNc1ccc(O)cc1 37131675 166867046 /nfs/dbraw/zinc/86/70/46/166867046.db2.gz KRSRXNRZMFJCIL-UHFFFAOYSA-N 0 0 179.263 2.994 10 0 AFAERN CCCCCOCCCC 2017266 166868154 /nfs/dbraw/zinc/86/81/54/166868154.db2.gz FVUDRZSBJPQJBX-UHFFFAOYSA-N 0 0 144.258 2.993 10 0 AFAERN CCCCCOC[C@H](O)C(C)(C)C 44236134 166868420 /nfs/dbraw/zinc/86/84/20/166868420.db2.gz VRGHLIKADIAAIO-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN CCCCCOc1cccc(N)c1 19391484 166868595 /nfs/dbraw/zinc/86/85/95/166868595.db2.gz GUNYLVBNSULNKE-UHFFFAOYSA-N 0 0 179.263 2.838 10 0 AFAERN CCCCCOc1ccc(C)nc1N 50440845 166869293 /nfs/dbraw/zinc/86/92/93/166869293.db2.gz GLIHRMYJMSYMSP-UHFFFAOYSA-N 0 0 194.278 2.541 10 0 AFAERN CCCCCSc1ccc(N)cn1 19951669 166869942 /nfs/dbraw/zinc/86/99/42/166869942.db2.gz OVYNJDKUBSSVJQ-UHFFFAOYSA-N 0 0 196.319 2.946 10 0 AFAERN CCCCC[C@@H](C)NC(=O)OCC 6042409 166869975 /nfs/dbraw/zinc/86/99/75/166869975.db2.gz UHSOWAUBBNEJNC-SECBINFHSA-N 0 0 187.283 2.701 10 0 AFAERN CCCCC[C@@H](CC)OC=O 95618245 166869979 /nfs/dbraw/zinc/86/99/79/166869979.db2.gz PPJCPDSDDKESKL-SECBINFHSA-N 0 0 158.241 2.518 10 0 endogenous,in-man AFAERN CCCCC[C@@H](C)[C@@H](O)CC 82448427 166870821 /nfs/dbraw/zinc/87/08/21/166870821.db2.gz JASVUPDAWJZXSA-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN CCCCC[C@@H](C)[C@@H](C)O 43658597 166871412 /nfs/dbraw/zinc/87/14/12/166871412.db2.gz WQADSKJNOTZWML-RKDXNWHRSA-N 0 0 144.258 2.584 10 0 AFAERN CCCCC[C@H](C)NC(=O)OCC 6042506 166872994 /nfs/dbraw/zinc/87/29/94/166872994.db2.gz UHSOWAUBBNEJNC-VIFPVBQESA-N 0 0 187.283 2.701 10 0 AFAERN CCCCC[C@@H](O)c1cccnc1 34327955 166873860 /nfs/dbraw/zinc/87/38/60/166873860.db2.gz MTZIXSKNQYLHMS-LLVKDONJSA-N 0 0 179.263 2.695 10 0 AFAERN CCCCC[C@@H]1[C@@H](C)[C@H]1C(=O)OC 100299309 166874834 /nfs/dbraw/zinc/87/48/34/166874834.db2.gz MRIZSGWNAGLBNF-OPRDCNLKSA-N 0 0 184.279 2.622 10 0 AFAERN CCCCC[C@H]1OCC[C@@H](C)O1 1602669 166875165 /nfs/dbraw/zinc/87/51/65/166875165.db2.gz PAZFSHXCNQDZKF-ZJUUUORDSA-N 0 0 172.268 2.718 10 0 AFAERN CCCCC[C@H](CC)OC=O 95618246 166875650 /nfs/dbraw/zinc/87/56/50/166875650.db2.gz PPJCPDSDDKESKL-VIFPVBQESA-N 0 0 158.241 2.518 10 0 endogenous,in-man AFAERN CCCCC[C@H](O)c1ccccn1 34758722 166875803 /nfs/dbraw/zinc/87/58/03/166875803.db2.gz XRCQCYTVACPMTI-NSHDSACASA-N 0 0 179.263 2.695 10 0 AFAERN CCCCC[C@H]1[C@@H](C(=O)OC)[C@@H]1C 95931777 166876138 /nfs/dbraw/zinc/87/61/38/166876138.db2.gz MRIZSGWNAGLBNF-BBBLOLIVSA-N 0 0 184.279 2.622 10 0 AFAERN CCCCCc1cscn1 39134787 166877387 /nfs/dbraw/zinc/87/73/87/166877387.db2.gz CMJMVIPRQVYPPE-UHFFFAOYSA-N 0 0 155.266 2.876 10 0 AFAERN CCCCCn1cc[nH]c1=S 13211896 166878598 /nfs/dbraw/zinc/87/85/98/166878598.db2.gz DBWNYKAOOYZFCU-UHFFFAOYSA-N 0 0 170.281 2.736 10 0 AFAERN CCCCCc1nc(C)sc1N 50308164 166878857 /nfs/dbraw/zinc/87/88/57/166878857.db2.gz BOQWMPBGKJPTFS-UHFFFAOYSA-N 0 0 184.308 2.766 10 0 AFAERN CCCCCc1nc(C)cnc1C 32154545 166879083 /nfs/dbraw/zinc/87/90/83/166879083.db2.gz VJNUCPVMBFFSSP-UHFFFAOYSA-N 0 0 178.279 2.826 10 0 AFAERN CCCCNc1ccccc1[C@H](C)O 49542485 166902204 /nfs/dbraw/zinc/90/22/04/166902204.db2.gz DKYWJSDHJSOREQ-JTQLQIEISA-N 0 0 193.290 2.952 10 0 AFAERN CCCCNc1cccc(F)c1N 37419193 166902462 /nfs/dbraw/zinc/90/24/62/166902462.db2.gz MZTWRDVOELMTJN-UHFFFAOYSA-N 0 0 182.242 2.620 10 0 AFAERN CCCCNc1cccc(N)c1C 62724139 166902910 /nfs/dbraw/zinc/90/29/10/166902910.db2.gz MOPLWTUDDAKVRO-UHFFFAOYSA-N 0 0 178.279 2.789 10 0 AFAERN CCCCNc1cccc(O)c1 20193933 166903457 /nfs/dbraw/zinc/90/34/57/166903457.db2.gz SUUUGHXWCICIAZ-UHFFFAOYSA-N 0 0 165.236 2.604 10 0 AFAERN CCCCNc1ccsc1 38881726 166903629 /nfs/dbraw/zinc/90/36/29/166903629.db2.gz BLZBFWKAFZHWIO-UHFFFAOYSA-N 0 0 155.266 2.960 10 0 AFAERN CCCCNc1ccccc1[C@@H](C)O 49542484 166903863 /nfs/dbraw/zinc/90/38/63/166903863.db2.gz DKYWJSDHJSOREQ-SNVBAGLBSA-N 0 0 193.290 2.952 10 0 AFAERN CCCCNc1ncc(Cl)cc1N 36226211 166903881 /nfs/dbraw/zinc/90/38/81/166903881.db2.gz USMJDYNUTAZMLN-UHFFFAOYSA-N 0 0 199.685 2.529 10 0 AFAERN CCCCOC(=O)OC(C)(C)C 2564073 166905458 /nfs/dbraw/zinc/90/54/58/166905458.db2.gz RKHMFJAJUQXUDL-UHFFFAOYSA-N 0 0 174.240 2.738 10 0 AFAERN CCCCOCCC[C@H](O)CCC 43657478 166906034 /nfs/dbraw/zinc/90/60/34/166906034.db2.gz FMZWYFFYIAAIMA-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CCCCOCC(=O)c1ccccc1 37351324 166906058 /nfs/dbraw/zinc/90/60/58/166906058.db2.gz MIKJKIMMCNQHKK-UHFFFAOYSA-N 0 0 192.258 2.686 10 0 AFAERN CCCCOCCC[C@H](O)C(C)C 43658075 166906174 /nfs/dbraw/zinc/90/61/74/166906174.db2.gz LDDVVCRLWFFXBR-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CCCCOCC[C@@H](CC)[C@@H](C)O 49852176 166907028 /nfs/dbraw/zinc/90/70/28/166907028.db2.gz NMIMEMZRDJMVMU-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCOCC[C@H](CC)[C@H](C)O 49852179 166907208 /nfs/dbraw/zinc/90/72/08/166907208.db2.gz NMIMEMZRDJMVMU-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCO[C@@H](CC)[C@H](O)CCC 44235041 166908579 /nfs/dbraw/zinc/90/85/79/166908579.db2.gz JRLYAWWCFVXLCG-MNOVXSKESA-N 0 0 188.311 2.743 10 0 AFAERN CCCCOc1ncccc1OCC 45814811 166910072 /nfs/dbraw/zinc/91/00/72/166910072.db2.gz HSFXBVYCUIXLRH-UHFFFAOYSA-N 0 0 195.262 2.659 10 0 AFAERN CCCCS[C@H]1CCCC1=O 37351869 166911219 /nfs/dbraw/zinc/91/12/19/166911219.db2.gz HDMMBBZMQHPJIY-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CCCCSCC(=O)c1ccc[nH]1 34990699 166911321 /nfs/dbraw/zinc/91/13/21/166911321.db2.gz GJABEVAJWFZEPF-UHFFFAOYSA-N 0 0 197.303 2.731 10 0 AFAERN CCCC[C@@H](C(=O)OC)c1ccco1 39018241 166912542 /nfs/dbraw/zinc/91/25/42/166912542.db2.gz AQLALQMTLCOYJJ-SECBINFHSA-N 0 0 196.246 2.726 10 0 AFAERN CCCCSc1ncc(N)cc1C 52813818 166912807 /nfs/dbraw/zinc/91/28/07/166912807.db2.gz JQARUUMALPVJSR-UHFFFAOYSA-N 0 0 196.319 2.864 10 0 AFAERN CCCCSc1ncccc1N 37190895 166913030 /nfs/dbraw/zinc/91/30/30/166913030.db2.gz OKSUNTDOZVCKKU-UHFFFAOYSA-N 0 0 182.292 2.556 10 0 AFAERN CCCCSCC(=O)CCC 50185900 166913067 /nfs/dbraw/zinc/91/30/67/166913067.db2.gz WXFMJJJABGPAFS-UHFFFAOYSA-N 0 0 174.309 2.889 10 0 AFAERN CCCC[C@@H](CC)CC(=O)COC 43456264 166913626 /nfs/dbraw/zinc/91/36/26/166913626.db2.gz AHCXKXYBZFPPRC-SNVBAGLBSA-N 0 0 186.295 2.808 10 0 AFAERN CCCC[C@@H](C)CC(C)=O 5821676 166913997 /nfs/dbraw/zinc/91/39/97/166913997.db2.gz YLMJOCWAOWDKBL-MRVPVSSYSA-N 0 0 142.242 2.792 10 0 AFAERN CCCC[C@@H](CC)CC(N)=S 43455013 166915446 /nfs/dbraw/zinc/91/54/46/166915446.db2.gz BSQLNFWXVMVATG-MRVPVSSYSA-N 0 0 173.325 2.879 10 0 AFAERN CCCC[C@@H](CC)CCNC(C)=O 39126018 166915744 /nfs/dbraw/zinc/91/57/44/166915744.db2.gz ZYELAMDRQDHCGO-LLVKDONJSA-N 0 0 185.311 2.729 10 0 AFAERN CCCC[C@@H](CCC)N(C)C(C)=O 39126332 166918118 /nfs/dbraw/zinc/91/81/18/166918118.db2.gz SLWWKWILCUZPDT-LLVKDONJSA-N 0 0 185.311 2.824 10 0 AFAERN CCCC[C@@H](O)C=C(C)C 32229581 166918897 /nfs/dbraw/zinc/91/88/97/166918897.db2.gz PNLIZTGZMGUPNP-SECBINFHSA-N 0 0 142.242 2.504 10 0 AFAERN CCCC[C@@H]1CCSC1 143162638 166920709 /nfs/dbraw/zinc/92/07/09/166920709.db2.gz WEWIGXOEGOJCIE-MRVPVSSYSA-N 0 0 144.283 2.930 10 0 AFAERN CCCC[C@@]1(C)OCC[C@H](C)O1 34064571 166921196 /nfs/dbraw/zinc/92/11/96/166921196.db2.gz OJNPEUTUBVMNQK-UWVGGRQHSA-N 0 0 172.268 2.718 10 0 AFAERN CCCC[C@H](C)CC1OCCO1 38637272 166921456 /nfs/dbraw/zinc/92/14/56/166921456.db2.gz ZFHUCYSXTQCMMB-VIFPVBQESA-N 0 0 172.268 2.576 10 0 AFAERN CCCC[C@H](C)CCCO 33506405 166922142 /nfs/dbraw/zinc/92/21/42/166922142.db2.gz MWWKESKJRHQWEF-VIFPVBQESA-N 0 0 144.258 2.585 10 0 AFAERN CCCC[C@@H]1O[C@@H](O)c2ccccc21 196500631 166922249 /nfs/dbraw/zinc/92/22/49/166922249.db2.gz GTZRIZWYPQOWQJ-NWDGAFQWSA-N 0 0 192.258 2.939 10 0 AFAERN CCCC[C@@](C)(CC)CO 2578875 166922450 /nfs/dbraw/zinc/92/24/50/166922450.db2.gz DKYDBQBEFXCOJY-SECBINFHSA-N 0 0 144.258 2.585 10 0 AFAERN CCCC[C@@H]1[C@H](O)O[C@H]2CCCC[C@@H]21 256008555 166922703 /nfs/dbraw/zinc/92/27/03/166922703.db2.gz WEHYMQQZNXOBDG-NOOOWODRSA-N 0 0 198.306 2.700 10 0 AFAERN CCCC[C@@H]1O[C@H](O)c2ccccc21 196500658 166922951 /nfs/dbraw/zinc/92/29/51/166922951.db2.gz GTZRIZWYPQOWQJ-RYUDHWBXSA-N 0 0 192.258 2.939 10 0 AFAERN CCCC[C@H](C(=O)OC)c1ccco1 39018240 166923265 /nfs/dbraw/zinc/92/32/65/166923265.db2.gz AQLALQMTLCOYJJ-VIFPVBQESA-N 0 0 196.246 2.726 10 0 AFAERN CCCC[C@H](CC)C[C@@H](O)COC 43456422 166923893 /nfs/dbraw/zinc/92/38/93/166923893.db2.gz JUFQOHSGEMJSBB-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCCC[C@H](C)n1nc(N)cc1C 67799217 166923994 /nfs/dbraw/zinc/92/39/94/166923994.db2.gz WUORAAMCVNMNHU-QMMMGPOBSA-N 0 0 181.283 2.525 10 0 AFAERN CCCC[C@H](CC)COCCCO 34561606 166924116 /nfs/dbraw/zinc/92/41/16/166924116.db2.gz MLPPTWJNWIQADV-NSHDSACASA-N 0 0 188.311 2.602 10 0 AFAERN CCCC[C@H](CC)CC(N)=S 43455014 166924184 /nfs/dbraw/zinc/92/41/84/166924184.db2.gz BSQLNFWXVMVATG-QMMMGPOBSA-N 0 0 173.325 2.879 10 0 AFAERN CCCC[C@H](CC)CC(=O)COC 43456265 166924616 /nfs/dbraw/zinc/92/46/16/166924616.db2.gz AHCXKXYBZFPPRC-JTQLQIEISA-N 0 0 186.295 2.808 10 0 AFAERN CCCC[C@H](CO)Nc1ccccc1 41053515 166926001 /nfs/dbraw/zinc/92/60/01/166926001.db2.gz ZHNPLOHUPAFLBO-GFCCVEGCSA-N 0 0 193.290 2.650 10 0 AFAERN CCCC[C@H](CC)n1ccc(N)n1 67799120 166926566 /nfs/dbraw/zinc/92/65/66/166926566.db2.gz SQZJGNKBUCRFEH-VIFPVBQESA-N 0 0 181.283 2.607 10 0 AFAERN CCCC[C@H]1[C@@H]2CCCC[C@@H]2O[C@H]1O 256008554 166928196 /nfs/dbraw/zinc/92/81/96/166928196.db2.gz WEHYMQQZNXOBDG-FIQHERPVSA-N 0 0 198.306 2.700 10 0 AFAERN CCCC[C@H]1O[C@H](O)c2ccccc21 196500647 166928943 /nfs/dbraw/zinc/92/89/43/166928943.db2.gz GTZRIZWYPQOWQJ-NEPJUHHUSA-N 0 0 192.258 2.939 10 0 AFAERN CCCC[C@H]1O[C@@H](O)c2ccccc21 196500619 166929858 /nfs/dbraw/zinc/92/98/58/166929858.db2.gz GTZRIZWYPQOWQJ-VXGBXAGGSA-N 0 0 192.258 2.939 10 0 AFAERN CCCC[C@H](O)c1cccs1 34263226 166930053 /nfs/dbraw/zinc/93/00/53/166930053.db2.gz CLCAGDACKZCZCM-QMMMGPOBSA-N 0 0 170.277 2.972 10 0 AFAERN CCCC[C@]1(C)OCC[C@H](C)O1 34064570 166930515 /nfs/dbraw/zinc/93/05/15/166930515.db2.gz OJNPEUTUBVMNQK-VHSXEESVSA-N 0 0 172.268 2.718 10 0 AFAERN CCCC[C@]1(C)CCC(=O)C1 39059506 166930759 /nfs/dbraw/zinc/93/07/59/166930759.db2.gz CLRCOLKSXXNING-SNVBAGLBSA-N 0 0 154.253 2.936 10 0 AFAERN CCCCc1ccc2oc(N)nc2c1 62520748 166931286 /nfs/dbraw/zinc/93/12/86/166931286.db2.gz HEZWXJMXEHMWNB-UHFFFAOYSA-N 0 0 190.246 2.753 10 0 AFAERN CCCCc1ncsc1C 5831820 166932117 /nfs/dbraw/zinc/93/21/17/166932117.db2.gz FOBITDGBIATDTQ-UHFFFAOYSA-N 0 0 155.266 2.794 10 0 endogenous,in-man AFAERN CCCCc1csc(C)n1 13437570 166932915 /nfs/dbraw/zinc/93/29/15/166932915.db2.gz FKIYIWVSAZOGLP-UHFFFAOYSA-N 0 0 155.266 2.794 10 0 endogenous,in-man AFAERN CCCCc1nc(CC)sc1N 50308261 166933298 /nfs/dbraw/zinc/93/32/98/166933298.db2.gz IRTSPLBRWQJVRR-UHFFFAOYSA-N 0 0 184.308 2.630 10 0 AFAERN CCCCc1[nH]nc(N)c1CC(C)C 43375354 166933623 /nfs/dbraw/zinc/93/36/23/166933623.db2.gz FAXMBPDUHRRZIX-UHFFFAOYSA-N 0 0 195.310 2.533 10 0 AFAERN CCCCn1ccc2c1CCCC2=O 41705487 166934604 /nfs/dbraw/zinc/93/46/04/166934604.db2.gz JQYCPTXUIOJGIR-UHFFFAOYSA-N 0 0 191.274 2.807 10 0 AFAERN CCCCn1cc(C=O)c(C(C)C)n1 40930439 166934665 /nfs/dbraw/zinc/93/46/65/166934665.db2.gz MDQLNZMTMCVGSA-UHFFFAOYSA-N 0 0 194.278 2.619 10 0 AFAERN CCCCn1ccc2c1CCC[C@@H]2O 41713615 166934677 /nfs/dbraw/zinc/93/46/77/166934677.db2.gz ATMHFJJQPKBWQE-LBPRGKRZSA-N 0 0 193.290 2.658 10 0 AFAERN CCCCn1ccc(C)c1C 39080187 166935440 /nfs/dbraw/zinc/93/54/40/166935440.db2.gz CYOAIFUFNNOEJF-UHFFFAOYSA-N 0 0 151.253 2.905 10 0 AFAERN CCCN(C)C(=O)c1sccc1C 335574500 166941448 /nfs/dbraw/zinc/94/14/48/166941448.db2.gz CTUALUAEWNOEHY-UHFFFAOYSA-N 0 0 197.303 2.539 10 0 AFAERN CCCN(C)C(=O)[C@]1(C)CC=CCC1 336245672 166941668 /nfs/dbraw/zinc/94/16/68/166941668.db2.gz CRLAFJVTFVSYFS-GFCCVEGCSA-N 0 0 195.306 2.601 10 0 AFAERN CCCN(C)C(=O)[C@H]1CCCC1(C)C 335734370 166943095 /nfs/dbraw/zinc/94/30/95/166943095.db2.gz HXYFWFRJFOHJET-SNVBAGLBSA-N 0 0 197.322 2.681 10 0 AFAERN CCCN(C)c1ccc(Cl)cc1N 37097962 166944192 /nfs/dbraw/zinc/94/41/92/166944192.db2.gz UIEXPBQFAOJGGG-UHFFFAOYSA-N 0 0 198.697 2.768 10 0 AFAERN CCCN(C)c1ccc(N)cc1Cl 37097959 166944201 /nfs/dbraw/zinc/94/42/01/166944201.db2.gz PEZPUNSQZZHQPX-UHFFFAOYSA-N 0 0 198.697 2.768 10 0 AFAERN CCCN(C)c1ccccc1[C@H](C)O 35650544 166944748 /nfs/dbraw/zinc/94/47/48/166944748.db2.gz KXAYJDFLYSPIJS-JTQLQIEISA-N 0 0 193.290 2.586 10 0 AFAERN CCCN(C)c1c(N)cccc1Cl 37097955 166944827 /nfs/dbraw/zinc/94/48/27/166944827.db2.gz HJRRPVCGFVIKTE-UHFFFAOYSA-N 0 0 198.697 2.768 10 0 AFAERN CCCN(CC)c1cc(N)cc(F)c1 37667939 166951735 /nfs/dbraw/zinc/95/17/35/166951735.db2.gz HARQPRTYWRJDGO-UHFFFAOYSA-N 0 0 196.269 2.644 10 0 AFAERN CCCN(c1cccc(N)c1)C1CC1 37096819 166958689 /nfs/dbraw/zinc/95/86/89/166958689.db2.gz WNPOIZDEQTVAOJ-UHFFFAOYSA-N 0 0 190.290 2.648 10 0 AFAERN CCCNC(=O)Nc1ccc(C)s1 307666532 166981037 /nfs/dbraw/zinc/98/10/37/166981037.db2.gz MVVMWMZZGOOHPI-UHFFFAOYSA-N 0 0 198.291 2.588 10 0 AFAERN CCCNc1ccc(N(C)C)cc1 32007233 167004593 /nfs/dbraw/zinc/00/45/93/167004593.db2.gz LTUARIFEBMFCKX-UHFFFAOYSA-N 0 0 178.279 2.575 10 0 AFAERN CCCNc1c(C)ccnc1Cl 83340982 167004607 /nfs/dbraw/zinc/00/46/07/167004607.db2.gz NETLNXABBSTRHM-UHFFFAOYSA-N 0 0 184.670 2.865 10 0 AFAERN CCCNc1cccc(F)c1C 43319681 167004691 /nfs/dbraw/zinc/00/46/91/167004691.db2.gz XWWQKXFOJZAQAA-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN CCCNc1ccc(C)c(O)c1C 37130637 167004767 /nfs/dbraw/zinc/00/47/67/167004767.db2.gz ROQXZVTZLUKUBL-UHFFFAOYSA-N 0 0 179.263 2.831 10 0 AFAERN CCCNc1ccc(Cl)c(O)c1 83341112 167004888 /nfs/dbraw/zinc/00/48/88/167004888.db2.gz ZLSKAQRQSVWBHH-UHFFFAOYSA-N 0 0 185.654 2.868 10 0 AFAERN CCCNc1ccc(C(C)=O)cc1F 71507060 167004900 /nfs/dbraw/zinc/00/49/00/167004900.db2.gz LWJCXNJSVUCYQK-UHFFFAOYSA-N 0 0 195.237 2.850 10 0 AFAERN CCCNc1ccc2oc(C)nc2c1 20144135 167004924 /nfs/dbraw/zinc/00/49/24/167004924.db2.gz FCEFXTKHZDWHOZ-UHFFFAOYSA-N 0 0 190.246 2.958 10 0 AFAERN CCCNc1ccc(OC)c(F)c1 37290297 167004954 /nfs/dbraw/zinc/00/49/54/167004954.db2.gz XFKICGVTRIOPGU-UHFFFAOYSA-N 0 0 183.226 2.656 10 0 AFAERN CCCNc1ccc(Cl)nc1C 83340983 167005046 /nfs/dbraw/zinc/00/50/46/167005046.db2.gz XQRCWPGLBAEXOB-UHFFFAOYSA-N 0 0 184.670 2.865 10 0 AFAERN CCCNc1ccc(Cl)cn1 20547116 167005084 /nfs/dbraw/zinc/00/50/84/167005084.db2.gz XIXLUPMRJJYXCW-UHFFFAOYSA-N 0 0 170.643 2.557 10 0 AFAERN CCCNc1ccc2c(c1)CCC2 19913965 167005123 /nfs/dbraw/zinc/00/51/23/167005123.db2.gz GYMNXFZCJNDCQX-UHFFFAOYSA-N 0 0 175.275 2.997 10 0 AFAERN CCCNc1cc(F)ccc1C 19953706 167005127 /nfs/dbraw/zinc/00/51/27/167005127.db2.gz WWLFMCLKHXKXOO-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN CCCNc1cccc(F)c1F 40230101 167005177 /nfs/dbraw/zinc/00/51/77/167005177.db2.gz QEGPKYKPNAVMEK-UHFFFAOYSA-N 0 0 171.190 2.787 10 0 AFAERN CCCNc1cccc(C)c1O 83339800 167005205 /nfs/dbraw/zinc/00/52/05/167005205.db2.gz OWJBJGIPFNVJJT-UHFFFAOYSA-N 0 0 165.236 2.523 10 0 AFAERN CCCNc1ccc(F)cc1C 19961432 167005219 /nfs/dbraw/zinc/00/52/19/167005219.db2.gz LXNPUDODCGVFTK-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN CCCNc1ccc(O)cc1C 70634866 167005241 /nfs/dbraw/zinc/00/52/41/167005241.db2.gz BGMDEABGEGFMAS-UHFFFAOYSA-N 0 0 165.236 2.523 10 0 AFAERN CCCNc1c(C)cccc1OC 83340425 167005367 /nfs/dbraw/zinc/00/53/67/167005367.db2.gz ZRYYACFQLKCVFV-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CCCNc1ccc(F)c(OC)c1 83340811 167005453 /nfs/dbraw/zinc/00/54/53/167005453.db2.gz SFCCUPYWJVHXJJ-UHFFFAOYSA-N 0 0 183.226 2.656 10 0 AFAERN CCCNc1c(N)cccc1Cl 20381466 167005472 /nfs/dbraw/zinc/00/54/72/167005472.db2.gz AJJRHMSYBMKBOH-UHFFFAOYSA-N 0 0 184.670 2.744 10 0 AFAERN CCCNc1cc(F)ccc1F 19907908 167005657 /nfs/dbraw/zinc/00/56/57/167005657.db2.gz GGLKVAIWDGOTKN-UHFFFAOYSA-N 0 0 171.190 2.787 10 0 AFAERN CCCNc1cc(Cl)ccn1 83340036 167005800 /nfs/dbraw/zinc/00/58/00/167005800.db2.gz FASWJGHGGBVSAL-UHFFFAOYSA-N 0 0 170.643 2.557 10 0 AFAERN CCCNc1cc(Cl)ccc1O 83341113 167005804 /nfs/dbraw/zinc/00/58/04/167005804.db2.gz KUCSBEAJDRVLNY-UHFFFAOYSA-N 0 0 185.654 2.868 10 0 AFAERN CCCNc1cc(C)ccc1O 83339802 167005860 /nfs/dbraw/zinc/00/58/60/167005860.db2.gz SYXQPYKKIILEIR-UHFFFAOYSA-N 0 0 165.236 2.523 10 0 AFAERN CCCNc1ccc2[nH]ccc2c1 20132740 167005872 /nfs/dbraw/zinc/00/58/72/167005872.db2.gz AYWVKWAUNCEYFE-UHFFFAOYSA-N 0 0 174.247 2.990 10 0 AFAERN CCCNc1ccc(N)cc1Cl 20381480 167006010 /nfs/dbraw/zinc/00/60/10/167006010.db2.gz WWDMLBUNAJXRGR-UHFFFAOYSA-N 0 0 184.670 2.744 10 0 AFAERN CCCNc1cc(CCC)nc(C)n1 50850269 167006100 /nfs/dbraw/zinc/00/61/00/167006100.db2.gz OAZVWKSLQDFCJO-UHFFFAOYSA-N 0 0 193.294 2.559 10 0 AFAERN CCCNc1ccc(F)c(F)c1F 19907710 167006152 /nfs/dbraw/zinc/00/61/52/167006152.db2.gz GPIFLKKBQZBSAR-UHFFFAOYSA-N 0 0 189.180 2.926 10 0 AFAERN CCCNc1ccc(C)cc1OC 37783086 167006212 /nfs/dbraw/zinc/00/62/12/167006212.db2.gz VBTQZRMGLGVMKO-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CCCNc1c(F)cccc1F 20476107 167006217 /nfs/dbraw/zinc/00/62/17/167006217.db2.gz PUMIFLRHSRJEKZ-UHFFFAOYSA-N 0 0 171.190 2.787 10 0 AFAERN CCCNc1c(C)nn(C(C)C)c1C 37787369 167006253 /nfs/dbraw/zinc/00/62/53/167006253.db2.gz RMBWZYKUKOGBNL-UHFFFAOYSA-N 0 0 195.310 2.903 10 0 AFAERN CCCNc1c(C)cc(O)cc1C 83340426 167006267 /nfs/dbraw/zinc/00/62/67/167006267.db2.gz KRJSCYNAEYZIBE-UHFFFAOYSA-N 0 0 179.263 2.831 10 0 AFAERN CCCNc1ccc(CSC)cn1 50839181 167006406 /nfs/dbraw/zinc/00/64/06/167006406.db2.gz KXGORANJHJJLKG-UHFFFAOYSA-N 0 0 196.319 2.767 10 0 AFAERN CCCNc1ccc(F)cc1OC 49563952 167006429 /nfs/dbraw/zinc/00/64/29/167006429.db2.gz LOSVTROZJIXIDC-UHFFFAOYSA-N 0 0 183.226 2.656 10 0 AFAERN CCCNc1cccc(C(C)=O)c1 41578581 167006548 /nfs/dbraw/zinc/00/65/48/167006548.db2.gz GZNMDRBMTLVPHC-UHFFFAOYSA-N 0 0 177.247 2.711 10 0 AFAERN CCCNc1ccc(C)c(O)c1 83339799 167006556 /nfs/dbraw/zinc/00/65/56/167006556.db2.gz ZVKKVAOUDJWXSY-UHFFFAOYSA-N 0 0 165.236 2.523 10 0 AFAERN CCCNc1cc(O)ccc1C 83339798 167006574 /nfs/dbraw/zinc/00/65/74/167006574.db2.gz PQQBPWRMPSXYCD-UHFFFAOYSA-N 0 0 165.236 2.523 10 0 AFAERN CCCNc1cccc(F)c1OC 83340809 167006733 /nfs/dbraw/zinc/00/67/33/167006733.db2.gz XVALATHBWLCBLD-UHFFFAOYSA-N 0 0 183.226 2.656 10 0 AFAERN CCCNc1cc(C)ccc1F 20471631 167006737 /nfs/dbraw/zinc/00/67/37/167006737.db2.gz XSWFAQKFBYZRIK-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN CCCNc1ccc(N(C)C)cc1C 36934967 167006749 /nfs/dbraw/zinc/00/67/49/167006749.db2.gz ZFTPOZNXOMQAEQ-UHFFFAOYSA-N 0 0 192.306 2.883 10 0 AFAERN CCCNc1c(C)cccc1O 83339797 167006865 /nfs/dbraw/zinc/00/68/65/167006865.db2.gz MNKWNIYODYIMMM-UHFFFAOYSA-N 0 0 165.236 2.523 10 0 AFAERN CCCNc1cc(F)cc(F)c1 19962003 167006869 /nfs/dbraw/zinc/00/68/69/167006869.db2.gz AMTCGSSJHDKNND-UHFFFAOYSA-N 0 0 171.190 2.787 10 0 AFAERN CCCNc1ccc(C)cc1O 83339803 167007016 /nfs/dbraw/zinc/00/70/16/167007016.db2.gz VYNKFNBATPKCLI-UHFFFAOYSA-N 0 0 165.236 2.523 10 0 AFAERN CCCNc1ccc(OC)c(C)c1 49528365 167007189 /nfs/dbraw/zinc/00/71/89/167007189.db2.gz OYPQLDWAXVZECJ-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CCCNc1ccc(C(C)(C)C)nn1 50868203 167007201 /nfs/dbraw/zinc/00/72/01/167007201.db2.gz APONUYZJIXOLOI-UHFFFAOYSA-N 0 0 193.294 2.596 10 0 AFAERN CCCNc1ccc(C)cc1F 20371473 167007341 /nfs/dbraw/zinc/00/73/41/167007341.db2.gz OBKIUIJVKLTVLD-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN CCCNc1ccc(C)c(F)c1 19956176 167007350 /nfs/dbraw/zinc/00/73/50/167007350.db2.gz LTHYFMKSVMCBNU-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN CCCNc1nc(C2CC2)cs1 61877205 167007675 /nfs/dbraw/zinc/00/76/75/167007675.db2.gz VGBFCZVJOWXOOV-UHFFFAOYSA-N 0 0 182.292 2.842 10 0 AFAERN CCCNc1ccccc1[C@@H](C)O 49542482 167007713 /nfs/dbraw/zinc/00/77/13/167007713.db2.gz XOUWJHAYSVBLRT-SECBINFHSA-N 0 0 179.263 2.562 10 0 AFAERN CCCNc1cnc(Cl)c(C)c1 83340985 167007719 /nfs/dbraw/zinc/00/77/19/167007719.db2.gz XVDKFFVZDXVRGH-UHFFFAOYSA-N 0 0 184.670 2.865 10 0 AFAERN CCCNc1ccsc1 82409699 167008233 /nfs/dbraw/zinc/00/82/33/167008233.db2.gz JKNMJPRHNWFYAF-UHFFFAOYSA-N 0 0 141.239 2.570 10 0 AFAERN CCCNc1ccccc1N(C)C 37086283 167008332 /nfs/dbraw/zinc/00/83/32/167008332.db2.gz IRQCPCKOUOFVQD-UHFFFAOYSA-N 0 0 178.279 2.575 10 0 AFAERN CCCNc1ncccc1Cl 20545281 167008518 /nfs/dbraw/zinc/00/85/18/167008518.db2.gz GEJCUCHLNIMDIU-UHFFFAOYSA-N 0 0 170.643 2.557 10 0 AFAERN CCCNc1ncc(CC)s1 61714449 167008595 /nfs/dbraw/zinc/00/85/95/167008595.db2.gz TVEXKBCBRSOGSD-UHFFFAOYSA-N 0 0 170.281 2.527 10 0 AFAERN CCCNc1cccc2[nH]ccc12 83340206 167008754 /nfs/dbraw/zinc/00/87/54/167008754.db2.gz XGQKJCBMCYWJIE-UHFFFAOYSA-N 0 0 174.247 2.990 10 0 AFAERN CCCNc1ccccc1[C@H](C)O 49542483 167008758 /nfs/dbraw/zinc/00/87/58/167008758.db2.gz XOUWJHAYSVBLRT-VIFPVBQESA-N 0 0 179.263 2.562 10 0 AFAERN CCCNc1nc2ccc(C)cc2[nH]1 71418500 167008762 /nfs/dbraw/zinc/00/87/62/167008762.db2.gz SQFRKPTXUFZBNB-UHFFFAOYSA-N 0 0 189.262 2.693 10 0 AFAERN CCCNc1cccc([C@@H](C)O)c1 83340438 167008899 /nfs/dbraw/zinc/00/88/99/167008899.db2.gz WWBFFSJUJZMXNO-SECBINFHSA-N 0 0 179.263 2.562 10 0 AFAERN CCCNc1ccnc(C(C)(C)C)n1 50863930 167008986 /nfs/dbraw/zinc/00/89/86/167008986.db2.gz BLRAZSILIQCPIU-UHFFFAOYSA-N 0 0 193.294 2.596 10 0 AFAERN CCCNc1cccc(OCC)c1 37780179 167009024 /nfs/dbraw/zinc/00/90/24/167009024.db2.gz ADHDYNOPHKFBLL-UHFFFAOYSA-N 0 0 179.263 2.907 10 0 AFAERN CCCNc1nc(C2CCCC2)no1 53750350 167009046 /nfs/dbraw/zinc/00/90/46/167009046.db2.gz ISUHNLPSFUJUSE-UHFFFAOYSA-N 0 0 195.266 2.549 10 0 AFAERN COC(=O)/C=C1/C[C@H](C)CC[C@@H]1C 133865727 343928780 /nfs/dbraw/zinc/92/87/80/343928780.db2.gz WQVVQGJYIZHYJK-GYDIXIQSSA-N 0 0 182.263 2.542 10 0 AFAERN CCCNc1ccnc([C@H](C)CC)n1 51690767 167009181 /nfs/dbraw/zinc/00/91/81/167009181.db2.gz DCQJNKDYPBCYAV-SECBINFHSA-N 0 0 193.294 2.812 10 0 AFAERN CCCNc1ccnc([C@@H](C)CC)n1 51690766 167009222 /nfs/dbraw/zinc/00/92/22/167009222.db2.gz DCQJNKDYPBCYAV-VIFPVBQESA-N 0 0 193.294 2.812 10 0 AFAERN CCCNc1cccc([C@H](C)O)c1 83340439 167009378 /nfs/dbraw/zinc/00/93/78/167009378.db2.gz WWBFFSJUJZMXNO-VIFPVBQESA-N 0 0 179.263 2.562 10 0 AFAERN CCCNc1cnccc1Cl 83340035 167009467 /nfs/dbraw/zinc/00/94/67/167009467.db2.gz FYTNYRFZYVMFOQ-UHFFFAOYSA-N 0 0 170.643 2.557 10 0 AFAERN CCCNc1ncnc2ccsc12 37375084 167009571 /nfs/dbraw/zinc/00/95/71/167009571.db2.gz CMOGSSRZYHIDAV-UHFFFAOYSA-N 0 0 193.275 2.513 10 0 AFAERN CCCNc1nc2ccccc2o1 32171270 167009703 /nfs/dbraw/zinc/00/97/03/167009703.db2.gz KRJKEIKSZSQTTG-UHFFFAOYSA-N 0 0 176.219 2.650 10 0 AFAERN CCCOC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 35101647 167010702 /nfs/dbraw/zinc/01/07/02/167010702.db2.gz RRBGPECVWLPSFL-HBNTYKKESA-N 0 0 196.290 2.766 10 0 AFAERN CCCOC(=O)Nc1ccccc1F 5951970 167010997 /nfs/dbraw/zinc/01/09/97/167010997.db2.gz VUJVABWKCGAMTK-UHFFFAOYSA-N 0 0 197.209 2.784 10 0 AFAERN CCCOC(=O)Nc1cccc(F)c1 5310633 167011064 /nfs/dbraw/zinc/01/10/64/167011064.db2.gz XMOQFCHJSJGHMT-UHFFFAOYSA-N 0 0 197.209 2.784 10 0 AFAERN CCCOCC(=O)C1CCCCC1 44653038 167011173 /nfs/dbraw/zinc/01/11/73/167011173.db2.gz DFEGQTVPINJYQR-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCCOC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 35101646 167012067 /nfs/dbraw/zinc/01/20/67/167012067.db2.gz RRBGPECVWLPSFL-AXFHLTTASA-N 0 0 196.290 2.766 10 0 AFAERN CCCOC(=O)Nc1ccc(F)cc1 5310629 167012363 /nfs/dbraw/zinc/01/23/63/167012363.db2.gz LHHVYYIZGATMQV-UHFFFAOYSA-N 0 0 197.209 2.784 10 0 AFAERN CCCOCc1ccc(Cl)cc1N 50443665 167013806 /nfs/dbraw/zinc/01/38/06/167013806.db2.gz BTFBAJHBGVWQHQ-UHFFFAOYSA-N 0 0 199.681 2.849 10 0 AFAERN CCCOCc1cccc(N)c1C 35649501 167014530 /nfs/dbraw/zinc/01/45/30/167014530.db2.gz ISURCZTYUMBXAP-UHFFFAOYSA-N 0 0 179.263 2.504 10 0 AFAERN CCCOCc1ccc(Cl)c(N)c1 37024563 167014623 /nfs/dbraw/zinc/01/46/23/167014623.db2.gz CTQWKWMLHQVSIO-UHFFFAOYSA-N 0 0 199.681 2.849 10 0 AFAERN CCCO[C@@H](C)[C@@H](O)c1ccccc1 44234596 167014646 /nfs/dbraw/zinc/01/46/46/167014646.db2.gz COFOKVGMUGHEMN-CMPLNLGQSA-N 0 0 194.274 2.535 10 0 AFAERN CCCO[C@@H](C)c1cccc(N)c1 40908538 167014672 /nfs/dbraw/zinc/01/46/72/167014672.db2.gz CCCGTMHLESXNHZ-VIFPVBQESA-N 0 0 179.263 2.756 10 0 AFAERN CCCO[C@@H](C)[C@H](O)c1ccccc1 44234587 167014926 /nfs/dbraw/zinc/01/49/26/167014926.db2.gz COFOKVGMUGHEMN-JQWIXIFHSA-N 0 0 194.274 2.535 10 0 AFAERN CCCO[C@@H](C)c1ccc(N)cc1 40909204 167015126 /nfs/dbraw/zinc/01/51/26/167015126.db2.gz AFRXCBHZWKGVPA-VIFPVBQESA-N 0 0 179.263 2.756 10 0 AFAERN CCCOCc1cc(N)ccc1Cl 37024561 167015455 /nfs/dbraw/zinc/01/54/55/167015455.db2.gz SXDSIWONFZDBHQ-UHFFFAOYSA-N 0 0 199.681 2.849 10 0 AFAERN CCCOc1c(C)cc(C)cc1N 36199550 167016501 /nfs/dbraw/zinc/01/65/01/167016501.db2.gz PTPBMMLFPWJMJO-UHFFFAOYSA-N 0 0 179.263 2.674 10 0 AFAERN COC(=O)/C=C1/C[C@H](C)CC(C)(C)C1 133871294 343928835 /nfs/dbraw/zinc/92/88/35/343928835.db2.gz YFWYGTXUPSDZQG-LKJZUNMESA-N 0 0 196.290 2.932 10 0 AFAERN CCCO[C@H](C)[C@@H](O)c1ccccc1 44234600 167016649 /nfs/dbraw/zinc/01/66/49/167016649.db2.gz COFOKVGMUGHEMN-ZYHUDNBSSA-N 0 0 194.274 2.535 10 0 AFAERN CCCO[C@H](C)[C@H](O)c1ccccc1 44234592 167017050 /nfs/dbraw/zinc/01/70/50/167017050.db2.gz COFOKVGMUGHEMN-PWSUYJOCSA-N 0 0 194.274 2.535 10 0 AFAERN CCCO[C@H](C)c1ccc(N)cc1 40909205 167017056 /nfs/dbraw/zinc/01/70/56/167017056.db2.gz AFRXCBHZWKGVPA-SECBINFHSA-N 0 0 179.263 2.756 10 0 AFAERN CCCOc1cc(C)c(O)cc1C 36200316 167017312 /nfs/dbraw/zinc/01/73/12/167017312.db2.gz JRRANBBSIXQFSL-UHFFFAOYSA-N 0 0 180.247 2.798 10 0 AFAERN CCCO[C@H](C)c1cccc(N)c1 40908539 167017545 /nfs/dbraw/zinc/01/75/45/167017545.db2.gz CCCGTMHLESXNHZ-SECBINFHSA-N 0 0 179.263 2.756 10 0 AFAERN CCCOc1cc(C)c(N)c(C)c1C 71456520 167017563 /nfs/dbraw/zinc/01/75/63/167017563.db2.gz AQLMLTCXIFKMNI-UHFFFAOYSA-N 0 0 193.290 2.983 10 0 AFAERN CCCOc1c(C)ccc(C)c1N 71457387 167017648 /nfs/dbraw/zinc/01/76/48/167017648.db2.gz VLSMZFCNLSJHPD-UHFFFAOYSA-N 0 0 179.263 2.674 10 0 AFAERN CCCOc1c(C)ccc(N)c1C 50123050 167017700 /nfs/dbraw/zinc/01/77/00/167017700.db2.gz RTEYBKRWCFYVJW-UHFFFAOYSA-N 0 0 179.263 2.674 10 0 AFAERN CCCOc1ccc(O)c(Cl)c1 71463834 167018292 /nfs/dbraw/zinc/01/82/92/167018292.db2.gz QTRIPXRLOYGOJL-UHFFFAOYSA-N 0 0 186.638 2.834 10 0 AFAERN CCCOc1ccc(O)cc1Cl 36198486 167018388 /nfs/dbraw/zinc/01/83/88/167018388.db2.gz PKDXOSNPIYPTTM-UHFFFAOYSA-N 0 0 186.638 2.834 10 0 AFAERN CCCOc1ccc(Cl)c(N)c1 32007876 167019039 /nfs/dbraw/zinc/01/90/39/167019039.db2.gz BFEAKGZXWADORL-UHFFFAOYSA-N 0 0 185.654 2.711 10 0 AFAERN CCCOc1ccc(C=O)c(C)c1C 38234846 167019048 /nfs/dbraw/zinc/01/90/48/167019048.db2.gz HCKJSSLOZNVRGA-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CCCOc1ccc(N)c(C)c1C 71456577 167019121 /nfs/dbraw/zinc/01/91/21/167019121.db2.gz GSDPKXUEWQJGGQ-UHFFFAOYSA-N 0 0 179.263 2.674 10 0 AFAERN CCCOc1ccc(NC)c(C)c1 71453450 167019332 /nfs/dbraw/zinc/01/93/32/167019332.db2.gz ALKMJNWVJNEFNI-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CCCOc1ccc(C)cc1NC 71451496 167019382 /nfs/dbraw/zinc/01/93/82/167019382.db2.gz IJIYAPSKHJCXNI-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CCCOc1ccc(N)c(Cl)c1 38950236 167020122 /nfs/dbraw/zinc/02/01/22/167020122.db2.gz IFZLFBDVEVNQAE-UHFFFAOYSA-N 0 0 185.654 2.711 10 0 AFAERN CCCOc1ccc2c(c1)CCCN2 51785616 167020241 /nfs/dbraw/zinc/02/02/41/167020241.db2.gz AQEGWHFHFFSKLM-UHFFFAOYSA-N 0 0 191.274 2.834 10 0 AFAERN CCCOc1cccc(OCCC)n1 45814806 167020870 /nfs/dbraw/zinc/02/08/70/167020870.db2.gz KCOAKHHWUNSENO-UHFFFAOYSA-N 0 0 195.262 2.659 10 0 AFAERN CCCOc1ccnc(Cl)c1 82605485 167021063 /nfs/dbraw/zinc/02/10/63/167021063.db2.gz OIGJQVUVYVQNBR-UHFFFAOYSA-N 0 0 171.627 2.524 10 0 AFAERN CCCOc1cccc(Cl)n1 39593926 167021726 /nfs/dbraw/zinc/02/17/26/167021726.db2.gz WJHYIQODSHTJNI-UHFFFAOYSA-N 0 0 171.627 2.524 10 0 AFAERN CCCOc1cccc(NC)c1 62796785 167022223 /nfs/dbraw/zinc/02/22/23/167022223.db2.gz GRSQLQMDSOQXEQ-UHFFFAOYSA-N 0 0 165.236 2.517 10 0 AFAERN CCCOc1cccc2[nH]nc(C)c12 89196245 167022271 /nfs/dbraw/zinc/02/22/71/167022271.db2.gz HCZUVLRAJYACQO-UHFFFAOYSA-N 0 0 190.246 2.660 10 0 AFAERN CCCOc1cccc2c1NCCC2 19260547 167022620 /nfs/dbraw/zinc/02/26/20/167022620.db2.gz ZUVOINVJJVVHEN-UHFFFAOYSA-N 0 0 191.274 2.834 10 0 AFAERN CCCSCC(OCC)OCC 5591328 167023097 /nfs/dbraw/zinc/02/30/97/167023097.db2.gz JHZKXMDHKMNKLP-UHFFFAOYSA-N 0 0 192.324 2.529 10 0 AFAERN CCCS[C@@H]1CCCCC1=O 37353504 167023100 /nfs/dbraw/zinc/02/31/00/167023100.db2.gz QVCKRSGYCBWDRE-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN CCCSC(C)(C)C 1653863 167023327 /nfs/dbraw/zinc/02/33/27/167023327.db2.gz MTVMGLPBDYLGDV-UHFFFAOYSA-N 0 0 132.272 2.928 10 0 AFAERN CCCSc1ccc(F)cc1N 19869667 167023435 /nfs/dbraw/zinc/02/34/35/167023435.db2.gz BDMPQPHEPWTGQM-UHFFFAOYSA-N 0 0 185.267 2.910 10 0 AFAERN CCCSc1cc(N)cc(F)c1 37668175 167023778 /nfs/dbraw/zinc/02/37/78/167023778.db2.gz WTXCYRDCZWNTAD-UHFFFAOYSA-N 0 0 185.267 2.910 10 0 AFAERN CCCSc1cc(Cl)ncn1 48631340 167023803 /nfs/dbraw/zinc/02/38/03/167023803.db2.gz CIONINBHIOKBHW-UHFFFAOYSA-N 0 0 188.683 2.632 10 0 AFAERN CCCSc1cccc(F)c1N 37420698 167023854 /nfs/dbraw/zinc/02/38/54/167023854.db2.gz DMFQBNKGDRHIGK-UHFFFAOYSA-N 0 0 185.267 2.910 10 0 AFAERN CCCSC1=CCC(=O)S1 104257809 167023886 /nfs/dbraw/zinc/02/38/86/167023886.db2.gz DIRDHCIUTCGPNK-UHFFFAOYSA-N 0 0 174.290 2.956 10 0 AFAERN CCCSCc1ccc(O)c(N)c1 37285818 167023908 /nfs/dbraw/zinc/02/39/08/167023908.db2.gz GMFFTSYFCDPFQW-UHFFFAOYSA-N 0 0 197.303 2.618 10 0 AFAERN CCCSc1ccc(N)s1 104108022 167023945 /nfs/dbraw/zinc/02/39/45/167023945.db2.gz MVGKUXSNOLTSSO-UHFFFAOYSA-N 0 0 173.306 2.832 10 0 AFAERN CCCSc1ccc(N)cc1F 20475001 167023967 /nfs/dbraw/zinc/02/39/67/167023967.db2.gz ASFCIFVZRQYSBO-UHFFFAOYSA-N 0 0 185.267 2.910 10 0 AFAERN CCCSc1ccnc(Cl)n1 51850483 167024108 /nfs/dbraw/zinc/02/41/08/167024108.db2.gz GUMZKCKRKIXGBN-UHFFFAOYSA-N 0 0 188.683 2.632 10 0 AFAERN CCCSc1cc(F)ccc1N 52122414 167024409 /nfs/dbraw/zinc/02/44/09/167024409.db2.gz QKXSFDVLOCTJNL-UHFFFAOYSA-N 0 0 185.267 2.910 10 0 AFAERN CCCSCc1cc(N)ccc1O 37285820 167024421 /nfs/dbraw/zinc/02/44/21/167024421.db2.gz RRSAUTSQEFQTAX-UHFFFAOYSA-N 0 0 197.303 2.618 10 0 AFAERN CCCSCc1cccc(N)c1 19870031 167024662 /nfs/dbraw/zinc/02/46/62/167024662.db2.gz YQANHXLJNAITQI-UHFFFAOYSA-N 0 0 181.304 2.912 10 0 AFAERN CCCSc1cccc(OCC)n1 39117126 167024733 /nfs/dbraw/zinc/02/47/33/167024733.db2.gz XVRRKXKEDOJUQP-UHFFFAOYSA-N 0 0 197.303 2.982 10 0 AFAERN CCCSc1cccc(N)c1 37668174 167024790 /nfs/dbraw/zinc/02/47/90/167024790.db2.gz HOBDANKGYPMPRT-UHFFFAOYSA-N 0 0 167.277 2.771 10 0 AFAERN CCCS[C@H]1CCCCC1=O 37353506 167024923 /nfs/dbraw/zinc/02/49/23/167024923.db2.gz QVCKRSGYCBWDRE-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CCCSCc1ccccc1N 19870030 167024948 /nfs/dbraw/zinc/02/49/48/167024948.db2.gz GLOXDBDPNJIPGG-UHFFFAOYSA-N 0 0 181.304 2.912 10 0 AFAERN CCCSc1cccc(F)n1 40712353 167024971 /nfs/dbraw/zinc/02/49/71/167024971.db2.gz BMIHUCYPBXPYOX-UHFFFAOYSA-N 0 0 171.240 2.723 10 0 AFAERN CCCSc1ccc(N)c(OC)c1 5139192 167025049 /nfs/dbraw/zinc/02/50/49/167025049.db2.gz HAKXYTIBSIDJTF-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN CCCSc1sc(N)nc1C 19510511 167026043 /nfs/dbraw/zinc/02/60/43/167026043.db2.gz CMOGBBCLPXZIRN-UHFFFAOYSA-N 0 0 188.321 2.536 10 0 AFAERN CCC[C@@H](C)C(=O)N1CCCC1(C)C 336376071 167026256 /nfs/dbraw/zinc/02/62/56/167026256.db2.gz HNXFDFDDKGOGPA-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN CCC[C@@H](C)C(=O)N1CCC=C(C)C1 336455176 167026274 /nfs/dbraw/zinc/02/62/74/167026274.db2.gz GVDHZSHLDINYLV-LLVKDONJSA-N 0 0 195.306 2.601 10 0 AFAERN CCC[C@@H](C)C(=O)N1CCC12CCC2 336070560 167026447 /nfs/dbraw/zinc/02/64/47/167026447.db2.gz LFHBYSHMRYPYSK-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CCCSc1nccnc1Cl 43538438 167026785 /nfs/dbraw/zinc/02/67/85/167026785.db2.gz IGHYRXLNTSHTHN-UHFFFAOYSA-N 0 0 188.683 2.632 10 0 AFAERN CCCSc1nsnc1Cl 34450453 167027639 /nfs/dbraw/zinc/02/76/39/167027639.db2.gz XLIKGSZQTIINTG-UHFFFAOYSA-N 0 0 194.712 2.694 10 0 AFAERN CCC[C@@H](C)CC(=O)CC 34477605 167028440 /nfs/dbraw/zinc/02/84/40/167028440.db2.gz XCPOUQKYUSPLDM-MRVPVSSYSA-N 0 0 142.242 2.792 10 0 AFAERN CCC[C@@H](C)CCCCO 70770079 167028769 /nfs/dbraw/zinc/02/87/69/167028769.db2.gz CGCDFYUPZXVGIX-SECBINFHSA-N 0 0 144.258 2.585 10 0 AFAERN CCC[C@@H](C)CC(C)(C)O 32155226 167028883 /nfs/dbraw/zinc/02/88/83/167028883.db2.gz VORBOMMQBCSRQF-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@@H](C)CCC[C@@H](C)O 70770856 167028982 /nfs/dbraw/zinc/02/89/82/167028982.db2.gz OYTRLQQQIHEJFE-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@@H](C)CC(C)(C)CO 17644596 167029966 /nfs/dbraw/zinc/02/99/66/167029966.db2.gz RUCVXMGJYFHUNW-SECBINFHSA-N 0 0 158.285 2.831 10 0 AFAERN CCC[C@@H](C)CC[C@@H](O)CC 14592498 167030133 /nfs/dbraw/zinc/03/01/33/167030133.db2.gz OVTIWEIXKSVYBG-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@@H](C)C(OCC)OCC 43503273 167030143 /nfs/dbraw/zinc/03/01/43/167030143.db2.gz BWZNJMVOWVKWOO-SECBINFHSA-N 0 0 174.284 2.822 10 0 AFAERN CCC[C@@H](C)CCC[C@H](C)O 70770862 167030372 /nfs/dbraw/zinc/03/03/72/167030372.db2.gz OYTRLQQQIHEJFE-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@@H](C)C(=O)c1ccco1 43606674 167030739 /nfs/dbraw/zinc/03/07/39/167030739.db2.gz ZONAONHRDHDNFB-MRVPVSSYSA-N 0 0 166.220 2.899 10 0 AFAERN CCC[C@@H](C)CC[C@H](O)CC 14592500 167030767 /nfs/dbraw/zinc/03/07/67/167030767.db2.gz OVTIWEIXKSVYBG-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@@H](C)C[C@H](C)[C@@H](C)O 2528294 167031679 /nfs/dbraw/zinc/03/16/79/167031679.db2.gz YGDDFKHOWYOWSZ-KXUCPTDWSA-N 0 0 158.285 2.830 10 0 AFAERN CCC[C@@H](C)Cn1nc(C)c(N)c1C 51320373 167031816 /nfs/dbraw/zinc/03/18/16/167031816.db2.gz SRVZYBRTQLIGQP-MRVPVSSYSA-N 0 0 195.310 2.518 10 0 AFAERN CCC[C@@H](C)N(C)c1ccc(C=O)o1 50544164 167031987 /nfs/dbraw/zinc/03/19/87/167031987.db2.gz RPTJKEXELAKCIQ-SECBINFHSA-N 0 0 195.262 2.717 10 0 AFAERN CCC[C@@H](C)C[C@](C)(O)CC 17645379 167033896 /nfs/dbraw/zinc/03/38/96/167033896.db2.gz DMIBTMSBSULJMT-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@@H](C)C[C@@](C)(O)CC 17645375 167034101 /nfs/dbraw/zinc/03/41/01/167034101.db2.gz DMIBTMSBSULJMT-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@@H](C)Nc1cccc(O)c1 20194008 167034417 /nfs/dbraw/zinc/03/44/17/167034417.db2.gz KXCYYGHSTKALRP-SECBINFHSA-N 0 0 179.263 2.993 10 0 AFAERN CCC[C@@H](C)Sc1cc[n+]([O-])cc1 39117086 167034926 /nfs/dbraw/zinc/03/49/26/167034926.db2.gz APNAYPJROKHWBE-SECBINFHSA-N 0 0 197.303 2.601 10 0 AFAERN CCC[C@@H](C)Nc1ccc(O)cc1 37132009 167034958 /nfs/dbraw/zinc/03/49/58/167034958.db2.gz PMGPGBONTKCSKM-SECBINFHSA-N 0 0 179.263 2.993 10 0 AFAERN CCC[C@@H](C)Nc1ccccn1 5793886 167035046 /nfs/dbraw/zinc/03/50/46/167035046.db2.gz BPXLVMPEWXLHRJ-SECBINFHSA-N 0 0 164.252 2.682 10 0 AFAERN CCC[C@@H](C)Nc1ccc(OC)nc1 19877981 167035217 /nfs/dbraw/zinc/03/52/17/167035217.db2.gz URWFMQDCDGGVOK-SECBINFHSA-N 0 0 194.278 2.691 10 0 AFAERN CCC[C@@H](C)Nc1ncccc1C 51040848 167035467 /nfs/dbraw/zinc/03/54/67/167035467.db2.gz ZTUMXMNDWYHGKU-SNVBAGLBSA-N 0 0 178.279 2.991 10 0 AFAERN CCC[C@@H](C)Nc1c(C)n[nH]c1C 36734675 167035519 /nfs/dbraw/zinc/03/55/19/167035519.db2.gz BOROZOGMHIRNHT-SSDOTTSWSA-N 0 0 181.283 2.627 10 0 AFAERN CCC[C@@H](C)Nc1ccc(C)cn1 22154023 167035587 /nfs/dbraw/zinc/03/55/87/167035587.db2.gz VXTBALQEVDKGCH-SNVBAGLBSA-N 0 0 178.279 2.991 10 0 AFAERN CCC[C@@H](C)Nc1c(C)nn(C)c1C 20135560 167035815 /nfs/dbraw/zinc/03/58/15/167035815.db2.gz STUQSMCZONJFEE-MRVPVSSYSA-N 0 0 195.310 2.637 10 0 AFAERN CCC[C@@H](C)OC1(O)CCCCC1 98090680 167036320 /nfs/dbraw/zinc/03/63/20/167036320.db2.gz DDHFITRPDRKEOP-SNVBAGLBSA-N 0 0 186.295 2.844 10 0 AFAERN CCC[C@@H](C)Nc1cccc(N)c1 36720314 167036472 /nfs/dbraw/zinc/03/64/72/167036472.db2.gz OSOQZXUMFCJLKF-SECBINFHSA-N 0 0 178.279 2.869 10 0 AFAERN CCC[C@@H](C)Nc1ccnc(Cl)n1 51849346 167036530 /nfs/dbraw/zinc/03/65/30/167036530.db2.gz FCZSWDYRTACRPU-SSDOTTSWSA-N 0 0 199.685 2.731 10 0 AFAERN CCC[C@@H](C)Nc1cccnc1 19884537 167036644 /nfs/dbraw/zinc/03/66/44/167036644.db2.gz UNIFVPQRZBLDRX-SECBINFHSA-N 0 0 164.252 2.682 10 0 AFAERN CCC[C@@H](C)Oc1ccc(NN)cc1 34541218 167036791 /nfs/dbraw/zinc/03/67/91/167036791.db2.gz VDULGVHEOJKVCJ-SECBINFHSA-N 0 0 194.278 2.540 10 0 AFAERN CCC[C@@H](C)Nc1cc(Cl)ncn1 48631179 167036853 /nfs/dbraw/zinc/03/68/53/167036853.db2.gz GDGLSRYDIQLJNG-SSDOTTSWSA-N 0 0 199.685 2.731 10 0 AFAERN CCC[C@@H](C)Nc1cccc(C)n1 37670508 167037091 /nfs/dbraw/zinc/03/70/91/167037091.db2.gz IEIDIGKYFOPCGT-SECBINFHSA-N 0 0 178.279 2.991 10 0 AFAERN CCC[C@@H](C)n1cc[nH]c1=S 34964233 167038199 /nfs/dbraw/zinc/03/81/99/167038199.db2.gz CDARJMIGAJAHLO-SSDOTTSWSA-N 0 0 170.281 2.907 10 0 AFAERN CCC[C@@H](C)c1nc(C)sc1N 50308161 167038410 /nfs/dbraw/zinc/03/84/10/167038410.db2.gz NOHSBQJLTDCJJJ-ZCFIWIBFSA-N 0 0 184.308 2.937 10 0 AFAERN CCC[C@@H](C)[C@@H](O)C1=CCCC1 50329127 167038412 /nfs/dbraw/zinc/03/84/12/167038412.db2.gz GGJHLMUTGAONEW-MWLCHTKSSA-N 0 0 168.280 2.894 10 0 AFAERN CCC[C@@H](C)c1nc(C(C)C)n[nH]1 41057093 167038656 /nfs/dbraw/zinc/03/86/56/167038656.db2.gz RNLWKHGYNDGPBF-MRVPVSSYSA-N 0 0 181.283 2.832 10 0 AFAERN CCC[C@@H](C)c1nnc(C2CC2)[nH]1 41057583 167038877 /nfs/dbraw/zinc/03/88/77/167038877.db2.gz PYYHESAMAXDXIB-SSDOTTSWSA-N 0 0 179.267 2.586 10 0 AFAERN CCC[C@@H](C)c1cnc(C)c(C)n1 39114119 167039216 /nfs/dbraw/zinc/03/92/16/167039216.db2.gz XMRHESSOCLAOEE-MRVPVSSYSA-N 0 0 178.279 2.997 10 0 AFAERN CCC[C@@H](C)n1c(C)n[nH]c1=S 20589453 167039361 /nfs/dbraw/zinc/03/93/61/167039361.db2.gz CPJSPDCFETUQQF-ZCFIWIBFSA-N 0 0 185.296 2.610 10 0 AFAERN CCC[C@@H](C)c1nc2cccnc2[nH]1 44264791 167039588 /nfs/dbraw/zinc/03/95/88/167039588.db2.gz MLKRMCRTFNMBOF-MRVPVSSYSA-N 0 0 189.262 2.862 10 0 AFAERN CCC[C@@H](C)[C@H](O)C1=CCCC1 50329125 167039922 /nfs/dbraw/zinc/03/99/22/167039922.db2.gz GGJHLMUTGAONEW-KOLCDFICSA-N 0 0 168.280 2.894 10 0 AFAERN CCC[C@@H](C)c1ncsc1N 50308048 167039988 /nfs/dbraw/zinc/03/99/88/167039988.db2.gz IVOXWAGOQJDFMO-ZCFIWIBFSA-N 0 0 170.281 2.629 10 0 AFAERN CCC[C@@H](C)n1nnc2ccccc21 5310808 167040031 /nfs/dbraw/zinc/04/00/31/167040031.db2.gz VUBYVTXCBRBLKU-SECBINFHSA-N 0 0 189.262 2.792 10 0 AFAERN CCC[C@@H](C)n1cccc1 35120245 167040049 /nfs/dbraw/zinc/04/00/49/167040049.db2.gz AZSQHHUYFCTPIV-SECBINFHSA-N 0 0 137.226 2.849 10 0 AFAERN CCC[C@@H](CC)Nc1ccc(N)nc1 50399500 167040476 /nfs/dbraw/zinc/04/04/76/167040476.db2.gz VBBXDERUSJBFKW-SECBINFHSA-N 0 0 193.294 2.654 10 0 AFAERN CCC[C@@H](CC)n1nc(N)cc1C 67799912 167041349 /nfs/dbraw/zinc/04/13/49/167041349.db2.gz OBWWKGMACSHUOO-SECBINFHSA-N 0 0 181.283 2.525 10 0 AFAERN CCC[C@@H](CC)n1cn[nH]c1=S 50406211 167041722 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AANIGUNCMYWCFV-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@]1(O)CCC[C@H](C)C1 37375449 167061028 /nfs/dbraw/zinc/06/10/28/167061028.db2.gz RIVJLPGGFYFLKX-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@]1(O)CCCC[C@@H]1C 37375782 167061102 /nfs/dbraw/zinc/06/11/02/167061102.db2.gz UCAFTFYMNOGYBG-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@]1(O)CCC[C@@H](C)C1 37375454 167061275 /nfs/dbraw/zinc/06/12/75/167061275.db2.gz RIVJLPGGFYFLKX-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@]1(O)CCC[C@@H]1CC 6947167 167061968 /nfs/dbraw/zinc/06/19/68/167061968.db2.gz AANIGUNCMYWCFV-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@]1(O)CCc2ccccc2C1 37460410 167062121 /nfs/dbraw/zinc/06/21/21/167062121.db2.gz RWDKFTUSIJEXFZ-CYBMUJFWSA-N 0 0 190.286 2.707 10 0 AFAERN CCC[C@@]1(O)CCCC[C@H]1C 37375788 167062240 /nfs/dbraw/zinc/06/22/40/167062240.db2.gz UCAFTFYMNOGYBG-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@]1(O)CCc2ccccc21 37376164 167062292 /nfs/dbraw/zinc/06/22/92/167062292.db2.gz ZTQVKTLCNKTVBS-GFCCVEGCSA-N 0 0 176.259 2.621 10 0 AFAERN CCC[C@H](C)C(=O)c1ccco1 43606675 167063335 /nfs/dbraw/zinc/06/33/35/167063335.db2.gz ZONAONHRDHDNFB-QMMMGPOBSA-N 0 0 166.220 2.899 10 0 AFAERN CCC[C@H](C)C(OCC)OCC 43503276 167063451 /nfs/dbraw/zinc/06/34/51/167063451.db2.gz BWZNJMVOWVKWOO-VIFPVBQESA-N 0 0 174.284 2.822 10 0 AFAERN CCC[C@H](C)CCCCO 70770082 167063482 /nfs/dbraw/zinc/06/34/82/167063482.db2.gz CGCDFYUPZXVGIX-VIFPVBQESA-N 0 0 144.258 2.585 10 0 AFAERN CCC[C@H](C)CC(=O)CC 34477606 167063518 /nfs/dbraw/zinc/06/35/18/167063518.db2.gz XCPOUQKYUSPLDM-QMMMGPOBSA-N 0 0 142.242 2.792 10 0 AFAERN CCC[C@H](C)CC[C@@H](O)CC 14592499 167063971 /nfs/dbraw/zinc/06/39/71/167063971.db2.gz OVTIWEIXKSVYBG-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)CC(C)(C)CO 17644598 167064120 /nfs/dbraw/zinc/06/41/20/167064120.db2.gz RUCVXMGJYFHUNW-VIFPVBQESA-N 0 0 158.285 2.831 10 0 AFAERN CCC[C@H](C)C(=O)N1CCCC1(C)C 336376070 167064159 /nfs/dbraw/zinc/06/41/59/167064159.db2.gz HNXFDFDDKGOGPA-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CCC[C@H](C)CC[C@H](O)CC 14592501 167064203 /nfs/dbraw/zinc/06/42/03/167064203.db2.gz OVTIWEIXKSVYBG-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)CCC[C@@H](C)O 70770859 167064245 /nfs/dbraw/zinc/06/42/45/167064245.db2.gz OYTRLQQQIHEJFE-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)C(=O)N1CCC12CCC2 336070558 167064317 /nfs/dbraw/zinc/06/43/17/167064317.db2.gz LFHBYSHMRYPYSK-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CCC[C@H](C)C(=O)N1CCC=C(C)C1 336455177 167064711 /nfs/dbraw/zinc/06/47/11/167064711.db2.gz GVDHZSHLDINYLV-NSHDSACASA-N 0 0 195.306 2.601 10 0 AFAERN CCC[C@H](C)CC(C)(C)O 32155230 167065006 /nfs/dbraw/zinc/06/50/06/167065006.db2.gz VORBOMMQBCSRQF-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@H](C)CCC[C@H](C)O 70770864 167065494 /nfs/dbraw/zinc/06/54/94/167065494.db2.gz OYTRLQQQIHEJFE-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)Cn1nc(C)c(N)c1C 51320375 167066091 /nfs/dbraw/zinc/06/60/91/167066091.db2.gz SRVZYBRTQLIGQP-QMMMGPOBSA-N 0 0 195.310 2.518 10 0 AFAERN CCC[C@H](C)C[C@@H](C)C(=O)OC 141634315 167067609 /nfs/dbraw/zinc/06/76/09/167067609.db2.gz RDGCVYZEFBLREA-DTWKUNHWSA-N 0 0 172.268 2.622 10 0 AFAERN CCC[C@H](C)C[C@@](C)(O)CC 17645377 167068622 /nfs/dbraw/zinc/06/86/22/167068622.db2.gz DMIBTMSBSULJMT-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)C[C@](C)(O)CC 17645381 167068802 /nfs/dbraw/zinc/06/88/02/167068802.db2.gz DMIBTMSBSULJMT-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)N(C)c1ccc(C=O)o1 50544165 167068894 /nfs/dbraw/zinc/06/88/94/167068894.db2.gz RPTJKEXELAKCIQ-VIFPVBQESA-N 0 0 195.262 2.717 10 0 AFAERN CCC[C@H](C)Nc1ccccn1 5794051 167069937 /nfs/dbraw/zinc/06/99/37/167069937.db2.gz BPXLVMPEWXLHRJ-VIFPVBQESA-N 0 0 164.252 2.682 10 0 AFAERN CCC[C@H](C)Nc1cccc(C)n1 37670510 167070092 /nfs/dbraw/zinc/07/00/92/167070092.db2.gz IEIDIGKYFOPCGT-VIFPVBQESA-N 0 0 178.279 2.991 10 0 AFAERN CCC[C@H](C)Nc1cccnc1 19884538 167070132 /nfs/dbraw/zinc/07/01/32/167070132.db2.gz UNIFVPQRZBLDRX-VIFPVBQESA-N 0 0 164.252 2.682 10 0 AFAERN CCC[C@H](C)Nc1ccc(C)cn1 22154026 167070233 /nfs/dbraw/zinc/07/02/33/167070233.db2.gz VXTBALQEVDKGCH-JTQLQIEISA-N 0 0 178.279 2.991 10 0 AFAERN CCC[C@H](C)Nc1cc(Cl)ncn1 48631180 167070280 /nfs/dbraw/zinc/07/02/80/167070280.db2.gz GDGLSRYDIQLJNG-ZETCQYMHSA-N 0 0 199.685 2.731 10 0 AFAERN CCC[C@H](C)Nc1cccc(N)c1 36720315 167070435 /nfs/dbraw/zinc/07/04/35/167070435.db2.gz OSOQZXUMFCJLKF-VIFPVBQESA-N 0 0 178.279 2.869 10 0 AFAERN CCC[C@H](C)Nc1cccc(O)c1 20194011 167070609 /nfs/dbraw/zinc/07/06/09/167070609.db2.gz KXCYYGHSTKALRP-VIFPVBQESA-N 0 0 179.263 2.993 10 0 AFAERN CCC[C@H](C)Nc1c(C)nn(C)c1C 20135564 167071041 /nfs/dbraw/zinc/07/10/41/167071041.db2.gz STUQSMCZONJFEE-QMMMGPOBSA-N 0 0 195.310 2.637 10 0 AFAERN CCC[C@H](C)Nc1ccc(O)cc1 37132010 167071098 /nfs/dbraw/zinc/07/10/98/167071098.db2.gz PMGPGBONTKCSKM-VIFPVBQESA-N 0 0 179.263 2.993 10 0 AFAERN CCC[C@H](C)Nc1c(C)n[nH]c1C 36734678 167071279 /nfs/dbraw/zinc/07/12/79/167071279.db2.gz BOROZOGMHIRNHT-ZETCQYMHSA-N 0 0 181.283 2.627 10 0 AFAERN CCC[C@H](C)Nc1ccc(OC)nc1 19877983 167071636 /nfs/dbraw/zinc/07/16/36/167071636.db2.gz URWFMQDCDGGVOK-VIFPVBQESA-N 0 0 194.278 2.691 10 0 AFAERN CCC[C@H](C)c1ncsc1N 50308049 167072238 /nfs/dbraw/zinc/07/22/38/167072238.db2.gz IVOXWAGOQJDFMO-LURJTMIESA-N 0 0 170.281 2.629 10 0 AFAERN CCC[C@H](C)Sc1cc[n+]([O-])cc1 39117088 167072283 /nfs/dbraw/zinc/07/22/83/167072283.db2.gz APNAYPJROKHWBE-VIFPVBQESA-N 0 0 197.303 2.601 10 0 AFAERN CCC[C@H](C)c1cnc(C)c(C)n1 39114120 167072395 /nfs/dbraw/zinc/07/23/95/167072395.db2.gz XMRHESSOCLAOEE-QMMMGPOBSA-N 0 0 178.279 2.997 10 0 AFAERN CCC[C@H](C)[C@H](O)C1=CCCC1 50329126 167072630 /nfs/dbraw/zinc/07/26/30/167072630.db2.gz GGJHLMUTGAONEW-ONGXEEELSA-N 0 0 168.280 2.894 10 0 AFAERN CCC[C@H](C)[C@@H](O)C1=CCCC1 50329128 167073189 /nfs/dbraw/zinc/07/31/89/167073189.db2.gz GGJHLMUTGAONEW-GXSJLCMTSA-N 0 0 168.280 2.894 10 0 AFAERN CCC[C@H](C)c1nc(C)sc1N 50308162 167073292 /nfs/dbraw/zinc/07/32/92/167073292.db2.gz NOHSBQJLTDCJJJ-LURJTMIESA-N 0 0 184.308 2.937 10 0 AFAERN CCC[C@H](C)OC1(O)CCCCC1 98090681 167073339 /nfs/dbraw/zinc/07/33/39/167073339.db2.gz DDHFITRPDRKEOP-JTQLQIEISA-N 0 0 186.295 2.844 10 0 AFAERN CCC[C@H](C)Oc1ccc(NN)cc1 34541220 167073355 /nfs/dbraw/zinc/07/33/55/167073355.db2.gz VDULGVHEOJKVCJ-VIFPVBQESA-N 0 0 194.278 2.540 10 0 AFAERN CCC[C@H](C)Nc1ccnc(Cl)n1 51849348 167073406 /nfs/dbraw/zinc/07/34/06/167073406.db2.gz FCZSWDYRTACRPU-ZETCQYMHSA-N 0 0 199.685 2.731 10 0 AFAERN CCC[C@H](C)c1nnc(C2CC2)[nH]1 41057585 167073449 /nfs/dbraw/zinc/07/34/49/167073449.db2.gz PYYHESAMAXDXIB-ZETCQYMHSA-N 0 0 179.267 2.586 10 0 AFAERN CCC[C@H](C)c1nc2cccnc2[nH]1 44264796 167073540 /nfs/dbraw/zinc/07/35/40/167073540.db2.gz MLKRMCRTFNMBOF-QMMMGPOBSA-N 0 0 189.262 2.862 10 0 AFAERN CCC[C@H](C)n1nnc2ccccc21 5311025 167073680 /nfs/dbraw/zinc/07/36/80/167073680.db2.gz VUBYVTXCBRBLKU-VIFPVBQESA-N 0 0 189.262 2.792 10 0 AFAERN CCC[C@H](C)n1c(C)n[nH]c1=S 20589456 167073814 /nfs/dbraw/zinc/07/38/14/167073814.db2.gz CPJSPDCFETUQQF-LURJTMIESA-N 0 0 185.296 2.610 10 0 AFAERN CCC[C@H](C)n1cccc1 35120247 167073988 /nfs/dbraw/zinc/07/39/88/167073988.db2.gz AZSQHHUYFCTPIV-VIFPVBQESA-N 0 0 137.226 2.849 10 0 AFAERN CCC[C@H](C)Nc1ncccc1C 51040849 167074316 /nfs/dbraw/zinc/07/43/16/167074316.db2.gz ZTUMXMNDWYHGKU-JTQLQIEISA-N 0 0 178.279 2.991 10 0 AFAERN CCC[C@H](C)n1cc[nH]c1=S 34964234 167074428 /nfs/dbraw/zinc/07/44/28/167074428.db2.gz CDARJMIGAJAHLO-ZETCQYMHSA-N 0 0 170.281 2.907 10 0 AFAERN CCC[C@H](C)c1nc(C(C)C)n[nH]1 41057095 167074613 /nfs/dbraw/zinc/07/46/13/167074613.db2.gz RNLWKHGYNDGPBF-QMMMGPOBSA-N 0 0 181.283 2.832 10 0 AFAERN CCC[C@H](CC)NCC(F)(F)F 50404800 167075200 /nfs/dbraw/zinc/07/52/00/167075200.db2.gz HIQQZRYELQYQNQ-ZETCQYMHSA-N 0 0 183.217 2.717 10 0 AFAERN CCC[C@H](CC)n1cn[nH]c1=S 50406213 167075733 /nfs/dbraw/zinc/07/57/33/167075733.db2.gz UOSIXIPAEDGRHS-ZETCQYMHSA-N 0 0 185.296 2.692 10 0 AFAERN CCC[C@H](CC)n1nc(N)cc1C 67799915 167076354 /nfs/dbraw/zinc/07/63/54/167076354.db2.gz OBWWKGMACSHUOO-VIFPVBQESA-N 0 0 181.283 2.525 10 0 AFAERN CCC[C@H](CC)Nc1ccc(N)cn1 50399474 167076591 /nfs/dbraw/zinc/07/65/91/167076591.db2.gz NADBLFXPYLUTQZ-JTQLQIEISA-N 0 0 193.294 2.654 10 0 AFAERN CCC[C@H](CC)Nc1ccc(N)nc1 50399502 167076707 /nfs/dbraw/zinc/07/67/07/167076707.db2.gz VBBXDERUSJBFKW-VIFPVBQESA-N 0 0 193.294 2.654 10 0 AFAERN CCC[C@H](CC)Nc1ncccc1N 50399438 167076895 /nfs/dbraw/zinc/07/68/95/167076895.db2.gz UCKZIJCZPFDNJB-VIFPVBQESA-N 0 0 193.294 2.654 10 0 AFAERN CCC[C@H](CO)C[C@H](C)CC 33605397 167077566 /nfs/dbraw/zinc/07/75/66/167077566.db2.gz VZXWJVFQXZUFQS-ZJUUUORDSA-N 0 0 158.285 2.831 10 0 AFAERN CCC[C@H](CO)c1ccccc1 39402437 167077759 /nfs/dbraw/zinc/07/77/59/167077759.db2.gz YYMFORUEYFGNKM-LLVKDONJSA-N 0 0 164.248 2.563 10 0 AFAERN CCC[C@H](CO)Cc1ccccc1 34484491 167077798 /nfs/dbraw/zinc/07/77/98/167077798.db2.gz HCYBGALNJDBIQD-LBPRGKRZSA-N 0 0 178.275 2.638 10 0 AFAERN CCC[C@H](CO)c1cccs1 41168331 167078702 /nfs/dbraw/zinc/07/87/02/167078702.db2.gz QHKMBLYVIKRRIT-MRVPVSSYSA-N 0 0 170.277 2.624 10 0 AFAERN CCC[C@H](F)CC 2578892 167078724 /nfs/dbraw/zinc/07/87/24/167078724.db2.gz OZNLYXKOYORFRP-ZCFIWIBFSA-N 0 0 104.168 2.535 10 0 AFAERN CCC[C@H](COC(N)=O)[C@@H](C)CC 84730540 167078933 /nfs/dbraw/zinc/07/89/33/167078933.db2.gz KXSXNDOPJPCAOA-DTWKUNHWSA-N 0 0 187.283 2.544 10 0 AFAERN CCC[C@H](COC(N)=O)[C@H](C)CC 84730546 167079018 /nfs/dbraw/zinc/07/90/18/167079018.db2.gz KXSXNDOPJPCAOA-RKDXNWHRSA-N 0 0 187.283 2.544 10 0 AFAERN CCC[C@H](CO)C[C@@H](C)CC 33605393 167079854 /nfs/dbraw/zinc/07/98/54/167079854.db2.gz VZXWJVFQXZUFQS-UWVGGRQHSA-N 0 0 158.285 2.831 10 0 AFAERN CCC[C@H](N)c1nc2ccccc2o1 36830980 167082645 /nfs/dbraw/zinc/08/26/45/167082645.db2.gz ILSJJAUTEJFURR-QMMMGPOBSA-N 0 0 190.246 2.628 10 0 AFAERN CCC[C@H](O)COCCCC(C)C 50194040 167084407 /nfs/dbraw/zinc/08/44/07/167084407.db2.gz PQVKGLJBGJTZJQ-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CCC[C@H](O)COc1ccc(C)cc1 50193950 167084565 /nfs/dbraw/zinc/08/45/65/167084565.db2.gz OJVKCNIEVKIUFR-NSHDSACASA-N 0 0 194.274 2.535 10 0 AFAERN CCC[C@H](O)CCc1ccc(F)cc1 43657390 167084572 /nfs/dbraw/zinc/08/45/72/167084572.db2.gz CHROSFQCICHYMB-LBPRGKRZSA-N 0 0 196.265 2.919 10 0 AFAERN CCC[C@H](O)CO[C@@H](C)CC(C)C 50194001 167084589 /nfs/dbraw/zinc/08/45/89/167084589.db2.gz XHGQBVCFUUPWIL-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](O)[C@H](CC)OCC(C)C 44219636 167084669 /nfs/dbraw/zinc/08/46/69/167084669.db2.gz BCSQCZPPBKDJOJ-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](O)C1CCC(C)CC1 44983458 167084678 /nfs/dbraw/zinc/08/46/78/167084678.db2.gz ZXNYXGVJPZGHQD-ILDUYXDCSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](O)[C@@H]1CCC[C@H](C)C1 44980049 167084687 /nfs/dbraw/zinc/08/46/87/167084687.db2.gz LTMILXSKXLCKJU-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](O)CCC=C(C)C 43657316 167084892 /nfs/dbraw/zinc/08/48/92/167084892.db2.gz LSRJTROGLJDZRH-JTQLQIEISA-N 0 0 156.269 2.894 10 0 AFAERN CCC[C@H](O)CCc1cccc(F)c1 44469772 167084909 /nfs/dbraw/zinc/08/49/09/167084909.db2.gz SULZDEUUQSVFKS-LBPRGKRZSA-N 0 0 196.265 2.919 10 0 AFAERN CCC[C@H](O)CCc1cccs1 44469742 167085107 /nfs/dbraw/zinc/08/51/07/167085107.db2.gz WMONIQPODOSBGP-VIFPVBQESA-N 0 0 184.304 2.842 10 0 AFAERN CCC[C@H](O)CO[C@H](C)CC(C)C 50194005 167085129 /nfs/dbraw/zinc/08/51/29/167085129.db2.gz XHGQBVCFUUPWIL-MNOVXSKESA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](O)COc1ccccc1C 50193889 167085308 /nfs/dbraw/zinc/08/53/08/167085308.db2.gz QHGCGRHPLPONEP-NSHDSACASA-N 0 0 194.274 2.535 10 0 AFAERN CCC[C@H](NO)c1ccccc1 8700234 167085335 /nfs/dbraw/zinc/08/53/35/167085335.db2.gz ZOUHGFUPBFMCPJ-JTQLQIEISA-N 0 0 165.236 2.507 10 0 AFAERN CCC[C@H](O)[C@H]1CCC[C@H](C)C1 44980055 167085372 /nfs/dbraw/zinc/08/53/72/167085372.db2.gz LTMILXSKXLCKJU-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](O)c1ccc(F)cc1F 42352167 167085383 /nfs/dbraw/zinc/08/53/83/167085383.db2.gz XWRDKYPBDKXZIX-JTQLQIEISA-N 0 0 186.201 2.798 10 0 AFAERN CCC[C@H](O)CC(C)(C)C 34353921 167085493 /nfs/dbraw/zinc/08/54/93/167085493.db2.gz ZIKNXBYJTDTRQA-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@H](O)C1=CCCCC1 50328849 167085523 /nfs/dbraw/zinc/08/55/23/167085523.db2.gz GXEHYMYLTXTFCR-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CCC[C@H](O)CCC(C)C 5227105 167085561 /nfs/dbraw/zinc/08/55/61/167085561.db2.gz KJMBBHZOLRRVMV-VIFPVBQESA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@H](O)CC[C@@H](C)CC 50428109 167085577 /nfs/dbraw/zinc/08/55/77/167085577.db2.gz KLZAWUYSXUGWGQ-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](O)CC[C@H](C)CC 50428112 167085727 /nfs/dbraw/zinc/08/57/27/167085727.db2.gz KLZAWUYSXUGWGQ-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](O)CCc1ccsc1 44469784 167085971 /nfs/dbraw/zinc/08/59/71/167085971.db2.gz FDFCLKMEBZNSTJ-JTQLQIEISA-N 0 0 184.304 2.842 10 0 AFAERN CCC[C@H](O)CCCC(C)C 43657336 167085978 /nfs/dbraw/zinc/08/59/78/167085978.db2.gz VNXYWZKXKDWZKU-JTQLQIEISA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](O)[C@@H](CC)OCC(C)C 44219628 167086011 /nfs/dbraw/zinc/08/60/11/167086011.db2.gz BCSQCZPPBKDJOJ-WDEREUQCSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](O)CCc1ccccc1F 43657344 167086577 /nfs/dbraw/zinc/08/65/77/167086577.db2.gz PTHCAGNUUYDRMI-NSHDSACASA-N 0 0 196.265 2.919 10 0 AFAERN CCC[C@H](O)COc1cccc(C)c1 39395044 167086624 /nfs/dbraw/zinc/08/66/24/167086624.db2.gz TVDQBAAYPTYDNK-NSHDSACASA-N 0 0 194.274 2.535 10 0 AFAERN CCC[C@H]1CCC=CN1C(=O)OC 36404527 167086922 /nfs/dbraw/zinc/08/69/22/167086922.db2.gz RLFJNCDNGMFPGA-VIFPVBQESA-N 0 0 183.251 2.531 10 0 AFAERN CCC[C@H]1C(=O)Nc2ccc(C)cc21 104357255 167086943 /nfs/dbraw/zinc/08/69/43/167086943.db2.gz TZRPDEFPGIVYIR-SECBINFHSA-N 0 0 189.258 2.831 10 0 AFAERN CCC[C@H]1CCC(=O)[C@@H](CCOC)C1 43653857 167087253 /nfs/dbraw/zinc/08/72/53/167087253.db2.gz MVBCRIQQMQOFBD-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CCC[C@H]1CC(=O)C1(Cl)Cl 202760673 167087613 /nfs/dbraw/zinc/08/76/13/167087613.db2.gz LPFBASWVYJADBC-YFKPBYRVSA-N 0 0 181.062 2.549 10 0 AFAERN CCC[C@H](O)c1ccccc1F 41168165 167087718 /nfs/dbraw/zinc/08/77/18/167087718.db2.gz ZHSDBPHWPKZVSU-JTQLQIEISA-N 0 0 168.211 2.659 10 0 AFAERN CCC[C@H]1CCC(=O)[C@H](CCOC)C1 43653855 167088370 /nfs/dbraw/zinc/08/83/70/167088370.db2.gz MVBCRIQQMQOFBD-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CCC[C@H]1C(=O)Nc2ccccc21 104352726 167088419 /nfs/dbraw/zinc/08/84/19/167088419.db2.gz FHOQZQAFCRSULQ-SECBINFHSA-N 0 0 175.231 2.522 10 0 AFAERN CCC[C@H](O)c1ccccc1OCC 41206701 167088425 /nfs/dbraw/zinc/08/84/25/167088425.db2.gz DBRIOLAAVNMXCE-NSHDSACASA-N 0 0 194.274 2.919 10 0 AFAERN CCC[C@H]1CCC(=O)[C@H](C)C1 34190803 167088458 /nfs/dbraw/zinc/08/84/58/167088458.db2.gz YFGBBPHIDAJVCC-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@H]1CCC[C@@H](O)CC1 34628184 167088615 /nfs/dbraw/zinc/08/86/15/167088615.db2.gz IPTXGPSZOLHCQY-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@H]1CCC[C@H](O)CC1 34628182 167088629 /nfs/dbraw/zinc/08/86/29/167088629.db2.gz IPTXGPSZOLHCQY-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@H]1CC(=O)C[C@@H]1CC 39111678 167088698 /nfs/dbraw/zinc/08/86/98/167088698.db2.gz CGTHIZOWBBAQMQ-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@H]1CC(=O)C[C@H](C)C1 5839837 167088712 /nfs/dbraw/zinc/08/87/12/167088712.db2.gz KGGLFLCEXPARDQ-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@H](O)c1ccsc1 37464896 167088725 /nfs/dbraw/zinc/08/87/25/167088725.db2.gz WSCIRXHFNYDHKH-QMMMGPOBSA-N 0 0 156.250 2.582 10 0 AFAERN CCC[C@H]1CC(=O)C[C@@H](C)C1 5839779 167088832 /nfs/dbraw/zinc/08/88/32/167088832.db2.gz KGGLFLCEXPARDQ-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@H]1C(=O)Nc2c(C)cccc21 104357283 167088895 /nfs/dbraw/zinc/08/88/95/167088895.db2.gz IMODWOOWLXDAGE-SNVBAGLBSA-N 0 0 189.258 2.831 10 0 AFAERN CCC[C@H]1CC(=O)c2ccccc2O1 126543798 167088967 /nfs/dbraw/zinc/08/89/67/167088967.db2.gz MZLSTDVUACRDBC-VIFPVBQESA-N 0 0 190.242 2.821 10 0 AFAERN CCC[C@H]1CCC(=O)[C@@H](C)C1 34190805 167089303 /nfs/dbraw/zinc/08/93/03/167089303.db2.gz YFGBBPHIDAJVCC-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@H]1C[C@H](C)CC[C@@H]1O 49852429 167089668 /nfs/dbraw/zinc/08/96/68/167089668.db2.gz WTGWXFHPWIWAQU-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@H]1Cc2ccccc2NC1=O 90423646 167089745 /nfs/dbraw/zinc/08/97/45/167089745.db2.gz UQWPRVMXWVRYMK-JTQLQIEISA-N 0 0 189.258 2.598 10 0 AFAERN CCC[C@H]1OC(=O)c2ccccc21 28957492 167089939 /nfs/dbraw/zinc/08/99/39/167089939.db2.gz TUIQQXQMQKATFQ-SNVBAGLBSA-N 0 0 176.215 2.698 10 0 AFAERN CCC[C@H]1Cc2ccccc2N1 39271536 167090138 /nfs/dbraw/zinc/09/01/38/167090138.db2.gz VJJHIFVAPVTQOG-JTQLQIEISA-N 0 0 161.248 2.823 10 0 AFAERN CCC[C@H]1Cc2ccccc2[C@@H]1O 49852369 167090667 /nfs/dbraw/zinc/09/06/67/167090667.db2.gz WMMWRKLUWPJTTO-CMPLNLGQSA-N 0 0 176.259 2.692 10 0 AFAERN CCC[C@H]1OCc2ccccc2O1 32132669 167091328 /nfs/dbraw/zinc/09/13/28/167091328.db2.gz JJPYXMKRIWTZMN-NSHDSACASA-N 0 0 178.231 2.722 10 0 AFAERN CCC[C@H]1Cc2ccccc2[C@H]1O 43659229 167091635 /nfs/dbraw/zinc/09/16/35/167091635.db2.gz WMMWRKLUWPJTTO-JQWIXIFHSA-N 0 0 176.259 2.692 10 0 AFAERN CCC[C@H]1Nc2ccccc2CO1 32170737 167091711 /nfs/dbraw/zinc/09/17/11/167091711.db2.gz GWVFVVGLQSKRHQ-NSHDSACASA-N 0 0 177.247 2.755 10 0 AFAERN CCC[C@](C)(O)c1ccc(F)cc1 37379327 167092618 /nfs/dbraw/zinc/09/26/18/167092618.db2.gz JZYZLLDTZRZKFW-NSHDSACASA-N 0 0 182.238 2.833 10 0 AFAERN CCC[C@](O)(CC)C(C)C 37755278 167092674 /nfs/dbraw/zinc/09/26/74/167092674.db2.gz VUMFTWNZYFBYEB-SECBINFHSA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@](C)(O)C[C@@H](C)CC 39218385 167092702 /nfs/dbraw/zinc/09/27/02/167092702.db2.gz QJVDAQVYZBSYCB-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@](C)(CC)C(C)=O 43502127 167092765 /nfs/dbraw/zinc/09/27/65/167092765.db2.gz AYDUHIOHZVUUFW-VIFPVBQESA-N 0 0 142.242 2.792 10 0 AFAERN CCC[C@](C)(O)CC(C)C 5649037 167093598 /nfs/dbraw/zinc/09/35/98/167093598.db2.gz QKRRAXACNUNGCF-VIFPVBQESA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@](C)(CC)C(=O)OCC 37634172 167093930 /nfs/dbraw/zinc/09/39/30/167093930.db2.gz GCUAKETYEWOPKQ-JTQLQIEISA-N 0 0 172.268 2.766 10 0 AFAERN CCC[C@](C)(O)c1ccccc1F 37379521 167094622 /nfs/dbraw/zinc/09/46/22/167094622.db2.gz SNJJHYYLSJRGFO-NSHDSACASA-N 0 0 182.238 2.833 10 0 AFAERN CCCc1c(C)ccnc1C 39051700 167095789 /nfs/dbraw/zinc/09/57/89/167095789.db2.gz ORHFCJUBTJSGDB-UHFFFAOYSA-N 0 0 149.237 2.651 10 0 AFAERN CCCc1[nH]c(C(C)=O)c(C)c1C 39116461 167096125 /nfs/dbraw/zinc/09/61/25/167096125.db2.gz DNFLYOKDZLYKKO-UHFFFAOYSA-N 0 0 179.263 2.787 10 0 AFAERN CCC[C@]1(O)CCC[C@@H](C)C1 37375452 167096142 /nfs/dbraw/zinc/09/61/42/167096142.db2.gz RIVJLPGGFYFLKX-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@]1(O)CCC[C@@H]1CC 6946032 167096886 /nfs/dbraw/zinc/09/68/86/167096886.db2.gz AANIGUNCMYWCFV-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@]1(O)CCCC[C@H]1C 37375785 167096918 /nfs/dbraw/zinc/09/69/18/167096918.db2.gz UCAFTFYMNOGYBG-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@]1(O)CCc2ccccc2C1 37460409 167097236 /nfs/dbraw/zinc/09/72/36/167097236.db2.gz RWDKFTUSIJEXFZ-ZDUSSCGKSA-N 0 0 190.286 2.707 10 0 AFAERN CCCc1[nH]ccc1CC 39234227 167097358 /nfs/dbraw/zinc/09/73/58/167097358.db2.gz WTFJDUDZSYSAGI-UHFFFAOYSA-N 0 0 137.226 2.530 10 0 AFAERN CCCc1[nH]c2ccccc2c1C=O 75577762 167097611 /nfs/dbraw/zinc/09/76/11/167097611.db2.gz FPTMIZRMCXLLKY-UHFFFAOYSA-N 0 0 187.242 2.933 10 0 AFAERN CCC[C@]1(O)CCC[C@H](C)C1 37375447 167097630 /nfs/dbraw/zinc/09/76/30/167097630.db2.gz RIVJLPGGFYFLKX-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@]1(O)CCc2ccccc21 37376161 167097701 /nfs/dbraw/zinc/09/77/01/167097701.db2.gz ZTQVKTLCNKTVBS-LBPRGKRZSA-N 0 0 176.259 2.621 10 0 AFAERN CCC[C@]1(O)CCCC[C@@H]1C 37375779 167097714 /nfs/dbraw/zinc/09/77/14/167097714.db2.gz UCAFTFYMNOGYBG-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@]1(O)CCC[C@H]1CC 6946037 167097738 /nfs/dbraw/zinc/09/77/38/167097738.db2.gz AANIGUNCMYWCFV-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CCCc1c(C)c[nH]c1C 37624110 167097837 /nfs/dbraw/zinc/09/78/37/167097837.db2.gz XIQDBBWAIBAYLZ-UHFFFAOYSA-N 0 0 137.226 2.584 10 0 AFAERN CCCc1cc(C)c(N)c(C)c1 39136160 167098388 /nfs/dbraw/zinc/09/83/88/167098388.db2.gz XCAXUUTZSDAIEJ-UHFFFAOYSA-N 0 0 163.264 2.838 10 0 AFAERN CCCc1cc(Cl)nc(NCC)n1 82502415 167098708 /nfs/dbraw/zinc/09/87/08/167098708.db2.gz KKXAFYBSVXMQEP-UHFFFAOYSA-N 0 0 199.685 2.514 10 0 AFAERN CCCc1c[nH]c(C)c1C 37624109 167099218 /nfs/dbraw/zinc/09/92/18/167099218.db2.gz PSRYFOCCDOJSSK-UHFFFAOYSA-N 0 0 137.226 2.584 10 0 AFAERN CCCc1cc(C(C)=O)ccc1O 75568476 167099284 /nfs/dbraw/zinc/09/92/84/167099284.db2.gz BOPVXWJNNJAXQY-UHFFFAOYSA-N 0 0 178.231 2.547 10 0 AFAERN CCCc1cc(N)c2oc(C)nc2c1 62520665 167099739 /nfs/dbraw/zinc/09/97/39/167099739.db2.gz CJXAUVORANJZJY-UHFFFAOYSA-N 0 0 190.246 2.671 10 0 AFAERN CCCc1cc(=S)[nH]c(CC)n1 45956435 167100119 /nfs/dbraw/zinc/10/01/19/167100119.db2.gz ZOPOIWLXURYKRW-UHFFFAOYSA-N 0 0 182.292 2.654 10 0 AFAERN CCCc1cc(CC)ccn1 39051641 167100680 /nfs/dbraw/zinc/10/06/80/167100680.db2.gz KJYIUCZACLWSBJ-UHFFFAOYSA-N 0 0 149.237 2.597 10 0 AFAERN CCCc1c(O)ccc2[nH]ccc12 45809596 167100782 /nfs/dbraw/zinc/10/07/82/167100782.db2.gz CBDBCMUCSUGEMG-UHFFFAOYSA-N 0 0 175.231 2.826 10 0 AFAERN CCCc1cc(Cl)n2ccnc2c1 89202369 167100806 /nfs/dbraw/zinc/10/08/06/167100806.db2.gz DLNGYCWCYPTIPL-UHFFFAOYSA-N 0 0 194.665 2.940 10 0 AFAERN CCCc1c(O)ccc2cc[nH]c12 222889626 167101079 /nfs/dbraw/zinc/10/10/79/167101079.db2.gz JQJXTJRZKJHCDH-UHFFFAOYSA-N 0 0 175.231 2.826 10 0 AFAERN CCCc1cc(NC)nc(C(C)C)n1 50849878 167101322 /nfs/dbraw/zinc/10/13/22/167101322.db2.gz COYWRGWILJWPHL-UHFFFAOYSA-N 0 0 193.294 2.594 10 0 AFAERN CCCc1cc(N)nc([C@@H](C)CC)n1 51690790 167101731 /nfs/dbraw/zinc/10/17/31/167101731.db2.gz VASAWBFTSJYFPO-QMMMGPOBSA-N 0 0 193.294 2.525 10 0 AFAERN CCCc1cc(N)nc([C@H](C)CC)n1 51690791 167101840 /nfs/dbraw/zinc/10/18/40/167101840.db2.gz VASAWBFTSJYFPO-MRVPVSSYSA-N 0 0 193.294 2.525 10 0 AFAERN CCCc1cc2nc[nH]c2c(Cl)n1 89203220 167102263 /nfs/dbraw/zinc/10/22/63/167102263.db2.gz DQDPOYRTVVYNQX-UHFFFAOYSA-N 0 0 195.653 2.564 10 0 AFAERN CCCc1ccc(N)cc1Cl 34593357 167102523 /nfs/dbraw/zinc/10/25/23/167102523.db2.gz UMVPRJXTJZVUOX-UHFFFAOYSA-N 0 0 169.655 2.875 10 0 AFAERN CCCc1cc2c(N)cccc2cn1 39119820 167102650 /nfs/dbraw/zinc/10/26/50/167102650.db2.gz SSIPWNMRZDPBHH-UHFFFAOYSA-N 0 0 186.258 2.770 10 0 AFAERN CCCc1ccc(C)c(N)c1 32005617 167102756 /nfs/dbraw/zinc/10/27/56/167102756.db2.gz XEZFBMMCYVYRTI-UHFFFAOYSA-N 0 0 149.237 2.530 10 0 AFAERN CCCc1cc(=S)n(C(C)C)[nH]1 52305587 167103043 /nfs/dbraw/zinc/10/30/43/167103043.db2.gz PGTPHYPEIOMVHX-UHFFFAOYSA-N 0 0 184.308 2.705 10 0 AFAERN CCCc1ccc(N)c(C)c1 44857562 167103200 /nfs/dbraw/zinc/10/32/00/167103200.db2.gz FUFUNXPZSKBIQW-UHFFFAOYSA-N 0 0 149.237 2.530 10 0 AFAERN CCCc1ccc(CC)c(N)c1 32006222 167103225 /nfs/dbraw/zinc/10/32/25/167103225.db2.gz OQTPAAFETUAOPM-UHFFFAOYSA-N 0 0 163.264 2.784 10 0 AFAERN CCCc1cc2ccccc2nc1N 32099237 167103388 /nfs/dbraw/zinc/10/33/88/167103388.db2.gz WHBBYHIZFBJNMK-UHFFFAOYSA-N 0 0 186.258 2.770 10 0 AFAERN CCCc1ccc(CCCO)cc1 70769887 167103558 /nfs/dbraw/zinc/10/35/58/167103558.db2.gz UIFVAJJGMKREPN-UHFFFAOYSA-N 0 0 178.275 2.564 10 0 AFAERN CCCc1cc(=S)n(CCC)[nH]1 52305674 167103978 /nfs/dbraw/zinc/10/39/78/167103978.db2.gz XWDJDMHKXVZHIO-UHFFFAOYSA-N 0 0 184.308 2.534 10 0 AFAERN CCCc1cc(OC)ccc1OC 37627831 167103986 /nfs/dbraw/zinc/10/39/86/167103986.db2.gz NJIMRIBDHNHEKL-UHFFFAOYSA-N 0 0 180.247 2.656 10 0 AFAERN CCCc1ccc(O)c(C)c1 5649531 167104012 /nfs/dbraw/zinc/10/40/12/167104012.db2.gz LDQYTDPXIMNESL-UHFFFAOYSA-N 0 0 150.221 2.653 10 0 AFAERN CCCc1ccc(N)c(Cl)c1 82030803 167104067 /nfs/dbraw/zinc/10/40/67/167104067.db2.gz CXYVYKDWUDTQSZ-UHFFFAOYSA-N 0 0 169.655 2.875 10 0 AFAERN CCCc1ccc(OCC)c(O)c1 5844579 167104081 /nfs/dbraw/zinc/10/40/81/167104081.db2.gz XDZLFEKELKUEPL-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN CCCc1cc[nH]c1C1CC1 18009235 167104237 /nfs/dbraw/zinc/10/42/37/167104237.db2.gz KJJIRNIKDSCKDK-UHFFFAOYSA-N 0 0 149.237 2.845 10 0 AFAERN CCCc1ccc([C@@H](C)CO)cc1 41200553 167104281 /nfs/dbraw/zinc/10/42/81/167104281.db2.gz HAXRAAMZBCDWAR-JTQLQIEISA-N 0 0 178.275 2.735 10 0 AFAERN CCCc1ccc([C@H](C)CO)cc1 41200556 167104439 /nfs/dbraw/zinc/10/44/39/167104439.db2.gz HAXRAAMZBCDWAR-SNVBAGLBSA-N 0 0 178.275 2.735 10 0 AFAERN CCCc1ccc(CC)c(O)c1 32155631 167104468 /nfs/dbraw/zinc/10/44/68/167104468.db2.gz OSQMMONNVPMEIO-UHFFFAOYSA-N 0 0 164.248 2.907 10 0 AFAERN CCCc1ccc(N(C)C)cc1 5311239 167104570 /nfs/dbraw/zinc/10/45/70/167104570.db2.gz QDOHXBBRYQKICH-UHFFFAOYSA-N 0 0 163.264 2.705 10 0 AFAERN CCCc1ccc(O)c2ncccc12 34084711 167104584 /nfs/dbraw/zinc/10/45/84/167104584.db2.gz BOXNYHLDKROWND-UHFFFAOYSA-N 0 0 187.242 2.893 10 0 AFAERN CCCc1ccc(N)c(CC)c1 39135967 167104816 /nfs/dbraw/zinc/10/48/16/167104816.db2.gz IXKYZRVPLXMJSH-UHFFFAOYSA-N 0 0 163.264 2.784 10 0 AFAERN CCCc1cc2c(c(C)c1O)CCO2 25974877 167104892 /nfs/dbraw/zinc/10/48/92/167104892.db2.gz LYXLQVDKSDMXRN-UHFFFAOYSA-N 0 0 192.258 2.588 10 0 AFAERN CCCc1ccc(OC(=O)CC)cc1 40889732 167104978 /nfs/dbraw/zinc/10/49/78/167104978.db2.gz GKTKTSYVCWAIIY-UHFFFAOYSA-N 0 0 192.258 2.955 10 0 AFAERN CCCc1csc(Cl)n1 33975201 167105284 /nfs/dbraw/zinc/10/52/84/167105284.db2.gz UBGFMESTBAECBB-UHFFFAOYSA-N 0 0 161.657 2.749 10 0 AFAERN CCCc1ccc2c(c1)NC[C@@H](C)O2 62521208 167105296 /nfs/dbraw/zinc/10/52/96/167105296.db2.gz JZGPEEIFGFOERF-SECBINFHSA-N 0 0 191.274 2.832 10 0 AFAERN CCCc1ccc2c(c1)NCCCO2 62521291 167105591 /nfs/dbraw/zinc/10/55/91/167105591.db2.gz YNYUHXSIDKAAEQ-UHFFFAOYSA-N 0 0 191.274 2.834 10 0 AFAERN CCCc1ccc2c(c1)NCC2 89209799 167105645 /nfs/dbraw/zinc/10/56/45/167105645.db2.gz SBKYRDQFRPWDMR-UHFFFAOYSA-N 0 0 161.248 2.607 10 0 AFAERN CCCc1cccc(O)c1C(C)=O 90423929 167105685 /nfs/dbraw/zinc/10/56/85/167105685.db2.gz KUKNZKYUSWCSPV-UHFFFAOYSA-N 0 0 178.231 2.547 10 0 AFAERN CCCc1ccoc1C 82185130 167105844 /nfs/dbraw/zinc/10/58/44/167105844.db2.gz AGCTXADLSQULIV-UHFFFAOYSA-N 0 0 124.183 2.541 10 0 AFAERN CCCc1ccc2c(c1)N[C@H](C)CO2 62521260 167105904 /nfs/dbraw/zinc/10/59/04/167105904.db2.gz IRURHMASUICCDD-SECBINFHSA-N 0 0 191.274 2.832 10 0 AFAERN CCCc1ccc2c(c1)NCCC2 75422707 167105921 /nfs/dbraw/zinc/10/59/21/167105921.db2.gz LSQVFMWRMYCNGV-UHFFFAOYSA-N 0 0 175.275 2.997 10 0 AFAERN CCCc1ccc2[nH]cnc2c1 34301021 167105936 /nfs/dbraw/zinc/10/59/36/167105936.db2.gz DVJQGYFXSBUVAE-UHFFFAOYSA-N 0 0 160.220 2.515 10 0 AFAERN CCCc1ccc2ocnc2c1 62498480 167106038 /nfs/dbraw/zinc/10/60/38/167106038.db2.gz BBKVJUYACXTWNZ-UHFFFAOYSA-N 0 0 161.204 2.780 10 0 AFAERN CCCc1ccccc1C(C)=O 39071325 167106661 /nfs/dbraw/zinc/10/66/61/167106661.db2.gz IBSDEQJERNHTCP-UHFFFAOYSA-N 0 0 162.232 2.842 10 0 AFAERN CCCc1nc([C@@H](C)CCC)n[nH]1 41057330 167106868 /nfs/dbraw/zinc/10/68/68/167106868.db2.gz HZSMPXRHYAEIHW-QMMMGPOBSA-N 0 0 181.283 2.661 10 0 AFAERN CCCc1ccc2oc(NC)nc2c1 62520736 167107016 /nfs/dbraw/zinc/10/70/16/167107016.db2.gz FNLJMTWMOOPPSV-UHFFFAOYSA-N 0 0 190.246 2.822 10 0 AFAERN CCCc1cccc2c1NCCC2 49554969 167107031 /nfs/dbraw/zinc/10/70/31/167107031.db2.gz JVRNKPZHZMZRNV-UHFFFAOYSA-N 0 0 175.275 2.997 10 0 AFAERN CCCc1csc(C=O)c1 39062654 167107050 /nfs/dbraw/zinc/10/70/50/167107050.db2.gz YDIKORAONFLLOF-UHFFFAOYSA-N 0 0 154.234 2.513 10 0 AFAERN CCCc1ccsc1C=O 34497555 167107071 /nfs/dbraw/zinc/10/70/71/167107071.db2.gz LVILUBAIANFMFQ-UHFFFAOYSA-N 0 0 154.234 2.513 10 0 AFAERN CCCc1ccc2[nH]c(C)nc2c1 203400231 167107109 /nfs/dbraw/zinc/10/71/09/167107109.db2.gz ZZSRHROSYGIIJP-UHFFFAOYSA-N 0 0 174.247 2.824 10 0 AFAERN CCCc1ccc2c(c1)N[C@@H](C)CO2 62521265 167107191 /nfs/dbraw/zinc/10/71/91/167107191.db2.gz IRURHMASUICCDD-VIFPVBQESA-N 0 0 191.274 2.832 10 0 AFAERN CCCc1cccc2c(C=O)c[nH]c12 89204140 167107365 /nfs/dbraw/zinc/10/73/65/167107365.db2.gz DDFNLKSBJXFKCQ-UHFFFAOYSA-N 0 0 187.242 2.933 10 0 AFAERN CCCc1n[nH]c2ccccc12 39134094 167107880 /nfs/dbraw/zinc/10/78/80/167107880.db2.gz UAVBHTJZZHATBB-UHFFFAOYSA-N 0 0 160.220 2.515 10 0 AFAERN CCCc1csc(NC2CC2)n1 61714570 167108005 /nfs/dbraw/zinc/10/80/05/167108005.db2.gz MVTKFDUAYMJIQC-UHFFFAOYSA-N 0 0 182.292 2.670 10 0 AFAERN CCCc1cnc2ccccc2n1 39121597 167108070 /nfs/dbraw/zinc/10/80/70/167108070.db2.gz VOJMHHWAAIBCJJ-UHFFFAOYSA-N 0 0 172.231 2.582 10 0 AFAERN CCCc1nc([C@H](C)CCC)n[nH]1 41057332 167108087 /nfs/dbraw/zinc/10/80/87/167108087.db2.gz HZSMPXRHYAEIHW-MRVPVSSYSA-N 0 0 181.283 2.661 10 0 AFAERN CCCc1cncn1C1CCCC1 13580722 167108102 /nfs/dbraw/zinc/10/81/02/167108102.db2.gz NNAZOHYEIVCKTG-UHFFFAOYSA-N 0 0 178.279 2.951 10 0 AFAERN CCCc1nc(C(CC)CC)n[nH]1 41057384 167108127 /nfs/dbraw/zinc/10/81/27/167108127.db2.gz JFEOESQFVIAMCD-UHFFFAOYSA-N 0 0 181.283 2.661 10 0 AFAERN CCCc1ccc2cnccc2c1O 39119767 167108167 /nfs/dbraw/zinc/10/81/67/167108167.db2.gz UDERHUMTYVYELM-UHFFFAOYSA-N 0 0 187.242 2.893 10 0 AFAERN CCCc1cccc(CC)c1O 3629779 167108171 /nfs/dbraw/zinc/10/81/71/167108171.db2.gz AKZFZHNJLYDHKN-UHFFFAOYSA-N 0 0 164.248 2.907 10 0 AFAERN CCCc1nc(C2CCCCC2)n[nH]1 48690139 167108219 /nfs/dbraw/zinc/10/82/19/167108219.db2.gz ZSIWZYCRQYMOCB-UHFFFAOYSA-N 0 0 193.294 2.805 10 0 AFAERN CCCc1n[nH]c2ccc(C)cc12 89195919 167108252 /nfs/dbraw/zinc/10/82/52/167108252.db2.gz GRRFAHJFLWPDSG-UHFFFAOYSA-N 0 0 174.247 2.824 10 0 AFAERN CCCc1nc(NC)sc1CC 61714280 167108631 /nfs/dbraw/zinc/10/86/31/167108631.db2.gz QZKLONXXTDRXJO-UHFFFAOYSA-N 0 0 184.308 2.700 10 0 AFAERN CCCc1nc(C(C)(C)C)c(N)s1 50308373 167108975 /nfs/dbraw/zinc/10/89/75/167108975.db2.gz OSGVXXYQJFCRGB-UHFFFAOYSA-N 0 0 198.335 2.975 10 0 AFAERN CCCc1nc(C(C)C)c(N)s1 50308362 167109313 /nfs/dbraw/zinc/10/93/13/167109313.db2.gz AILGNCXOQXGJED-UHFFFAOYSA-N 0 0 184.308 2.801 10 0 AFAERN CCCc1nc(C)c(C)c(Cl)n1 37947850 167109808 /nfs/dbraw/zinc/10/98/08/167109808.db2.gz KCMAGPOTJFGBLO-UHFFFAOYSA-N 0 0 184.670 2.699 10 0 AFAERN CCCc1nc(Cl)c2c(n1)CCC2 42400282 167110109 /nfs/dbraw/zinc/11/01/09/167110109.db2.gz OWRZIJVHFCAGCP-UHFFFAOYSA-N 0 0 196.681 2.571 10 0 AFAERN CCCc1nc(CC(C)C)c(N)s1 50308355 167110202 /nfs/dbraw/zinc/11/02/02/167110202.db2.gz BTVYJZGDXYWDQM-UHFFFAOYSA-N 0 0 198.335 2.876 10 0 AFAERN CCCc1nc(Cl)cc(NCC)n1 82509749 167110319 /nfs/dbraw/zinc/11/03/19/167110319.db2.gz FIIFMIZGRIVPMP-UHFFFAOYSA-N 0 0 199.685 2.514 10 0 AFAERN CCCc1nc(C)c(C(C)=O)s1 40993762 167110352 /nfs/dbraw/zinc/11/03/52/167110352.db2.gz FUASBKZWQMMGGT-UHFFFAOYSA-N 0 0 183.276 2.607 10 0 AFAERN CCCc1nc(CCC)c(N)s1 50308354 167110429 /nfs/dbraw/zinc/11/04/29/167110429.db2.gz YFQCHQSTXMDUJX-UHFFFAOYSA-N 0 0 184.308 2.630 10 0 AFAERN CCCc1nc(C(C)C)sc1N 50308953 167110534 /nfs/dbraw/zinc/11/05/34/167110534.db2.gz GRPDCJQUIDJXGH-UHFFFAOYSA-N 0 0 184.308 2.801 10 0 AFAERN CCCc1nc(C(C)(C)C)sc1N 50309308 167110623 /nfs/dbraw/zinc/11/06/23/167110623.db2.gz IBGNWQLQMJWMKR-UHFFFAOYSA-N 0 0 198.335 2.975 10 0 AFAERN CCCc1nc(Cl)c(C)c(CC)n1 82442240 167110746 /nfs/dbraw/zinc/11/07/46/167110746.db2.gz WRPORUBMTYOESM-UHFFFAOYSA-N 0 0 198.697 2.953 10 0 AFAERN CCCc1nc(C2CC2)c(N)s1 50308375 167110815 /nfs/dbraw/zinc/11/08/15/167110815.db2.gz ORORAMPIOQCPRK-UHFFFAOYSA-N 0 0 182.292 2.555 10 0 AFAERN CCCc1nc(C(C)=O)c(C)s1 306781096 167110990 /nfs/dbraw/zinc/11/09/90/167110990.db2.gz BNBRQSKBTLVNCZ-UHFFFAOYSA-N 0 0 183.276 2.607 10 0 AFAERN CCCc1nc(C)c(CC)c(Cl)n1 38004009 167111257 /nfs/dbraw/zinc/11/12/57/167111257.db2.gz QTORFXNLTTYKPU-UHFFFAOYSA-N 0 0 198.697 2.953 10 0 AFAERN CCCc1nc(Cl)cc(CC)n1 36915831 167111421 /nfs/dbraw/zinc/11/14/21/167111421.db2.gz LUZQKHLGYKAAFI-UHFFFAOYSA-N 0 0 184.670 2.645 10 0 AFAERN CCCc1nc(C2CC2)sc1N 50309152 167111502 /nfs/dbraw/zinc/11/15/02/167111502.db2.gz QBLPIOPIOXKELW-UHFFFAOYSA-N 0 0 182.292 2.555 10 0 AFAERN CCCc1nc2c(s1)C(=O)CCC2 50329701 167112094 /nfs/dbraw/zinc/11/20/94/167112094.db2.gz GNAHXULCFQUJJH-UHFFFAOYSA-N 0 0 195.287 2.615 10 0 AFAERN CCCc1nc2c(O)ccc(C)c2[nH]1 26281304 167112146 /nfs/dbraw/zinc/11/21/46/167112146.db2.gz VWVMQRLXQMVRKU-UHFFFAOYSA-N 0 0 190.246 2.529 10 0 AFAERN CCCc1nc2cc(OC)ccc2o1 62521099 167112185 /nfs/dbraw/zinc/11/21/85/167112185.db2.gz NJLJXPXWYRFCGU-UHFFFAOYSA-N 0 0 191.230 2.789 10 0 AFAERN CCCc1nc2cc(N)ccc2s1 62521884 167112258 /nfs/dbraw/zinc/11/22/58/167112258.db2.gz WWFQAIBXKDMENU-UHFFFAOYSA-N 0 0 192.287 2.831 10 0 AFAERN CCCc1nc2cc(Cl)cnc2[nH]1 57765270 167112265 /nfs/dbraw/zinc/11/22/65/167112265.db2.gz QDVCFFRCVZFWFV-UHFFFAOYSA-N 0 0 195.653 2.564 10 0 AFAERN CCCc1nc2c(OC)cccc2[nH]1 144427874 167112302 /nfs/dbraw/zinc/11/23/02/167112302.db2.gz ANFNQGJFSPDBMM-UHFFFAOYSA-N 0 0 190.246 2.524 10 0 AFAERN CCCc1nc2cc(F)c(F)cc2[nH]1 48356849 167112332 /nfs/dbraw/zinc/11/23/32/167112332.db2.gz ULZACQKKAAMMPT-UHFFFAOYSA-N 0 0 196.200 2.794 10 0 AFAERN CCCc1nc2c(O)cccc2s1 62200333 167112382 /nfs/dbraw/zinc/11/23/82/167112382.db2.gz YXCQDJBKXWQSME-UHFFFAOYSA-N 0 0 193.271 2.954 10 0 AFAERN CCCc1nc2cc(N)cc(F)c2o1 62521963 167112410 /nfs/dbraw/zinc/11/24/10/167112410.db2.gz LWBQIJUKZGUURC-UHFFFAOYSA-N 0 0 194.209 2.502 10 0 AFAERN CCCc1nc2cc(F)ccc2o1 62520050 167112511 /nfs/dbraw/zinc/11/25/11/167112511.db2.gz VGKYMINLEICRFO-UHFFFAOYSA-N 0 0 179.194 2.919 10 0 AFAERN CCCc1nc2cc(C)ccc2n1C 45238537 167112659 /nfs/dbraw/zinc/11/26/59/167112659.db2.gz CPYMCVHMFCQYDM-UHFFFAOYSA-N 0 0 188.274 2.834 10 0 AFAERN CCCc1nc2cc(Cl)cnc2o1 74328545 167112717 /nfs/dbraw/zinc/11/27/17/167112717.db2.gz MDBJFAKQOMLTSG-UHFFFAOYSA-N 0 0 196.637 2.829 10 0 AFAERN CCCc1nc2ccnc(Cl)c2[nH]1 34061298 167113038 /nfs/dbraw/zinc/11/30/38/167113038.db2.gz DSCVTAQXEJQFTM-UHFFFAOYSA-N 0 0 195.653 2.564 10 0 AFAERN CCCc1nc2cccc(N)c2s1 62521891 167113133 /nfs/dbraw/zinc/11/31/33/167113133.db2.gz OWYNDCCEWWZSRL-UHFFFAOYSA-N 0 0 192.287 2.831 10 0 AFAERN CCCc1nc2c(C)cc(C)nc2[nH]1 34462282 167113164 /nfs/dbraw/zinc/11/31/64/167113164.db2.gz QZUYDPQQGUBAQJ-UHFFFAOYSA-N 0 0 189.262 2.527 10 0 AFAERN CCCc1nc2cc(C)cc(N)c2o1 62520663 167113249 /nfs/dbraw/zinc/11/32/49/167113249.db2.gz YBMIYXINMNKDLT-UHFFFAOYSA-N 0 0 190.246 2.671 10 0 AFAERN CCCc1nc2cc(F)cc(N)c2o1 62521956 167113314 /nfs/dbraw/zinc/11/33/14/167113314.db2.gz YWIYIOLMLSSEAO-UHFFFAOYSA-N 0 0 194.209 2.502 10 0 AFAERN CCCc1nc2ccc(O)cc2s1 62199875 167113394 /nfs/dbraw/zinc/11/33/94/167113394.db2.gz QCLRJIATNXXVPK-UHFFFAOYSA-N 0 0 193.271 2.954 10 0 AFAERN CCCc1nc([C@@H]2CC2(C)C)no1 307689473 167113397 /nfs/dbraw/zinc/11/33/97/167113397.db2.gz GTHBISLHXWKEDT-ZETCQYMHSA-N 0 0 180.251 2.536 10 0 AFAERN CCCc1nc2ccccc2o1 39222223 167113407 /nfs/dbraw/zinc/11/34/07/167113407.db2.gz VUSJXKGMIHFNRB-UHFFFAOYSA-N 0 0 161.204 2.780 10 0 AFAERN CCCc1nc2cccc(F)c2o1 62520056 167113463 /nfs/dbraw/zinc/11/34/63/167113463.db2.gz QMTWAMPYNKOVIC-UHFFFAOYSA-N 0 0 179.194 2.919 10 0 AFAERN CCCc1nc([C@H]2CC2(C)C)no1 307689472 167113532 /nfs/dbraw/zinc/11/35/32/167113532.db2.gz GTHBISLHXWKEDT-SSDOTTSWSA-N 0 0 180.251 2.536 10 0 AFAERN CCCc1nc2ccccc2nc1C 71521 167113551 /nfs/dbraw/zinc/11/35/51/167113551.db2.gz LJSMYNRELBSLKT-UHFFFAOYSA-N 0 0 186.258 2.891 10 0 AFAERN CCCc1nc2cc(O)ccc2s1 45235831 167113589 /nfs/dbraw/zinc/11/35/89/167113589.db2.gz UKRJSCUUNCTSEZ-UHFFFAOYSA-N 0 0 193.271 2.954 10 0 AFAERN CCCc1noc([C@H]2CC2(C)C)n1 306483255 167114288 /nfs/dbraw/zinc/11/42/88/167114288.db2.gz MLJOEHHOCNTZCR-SSDOTTSWSA-N 0 0 180.251 2.536 10 0 AFAERN CCCc1sccc1C=O 39062666 167114344 /nfs/dbraw/zinc/11/43/44/167114344.db2.gz HXBXMKHGUGYZPS-UHFFFAOYSA-N 0 0 154.234 2.513 10 0 AFAERN CCCc1sccc1NC(C)=O 39126388 167114350 /nfs/dbraw/zinc/11/43/50/167114350.db2.gz IKULJTMESPSVGS-UHFFFAOYSA-N 0 0 183.276 2.659 10 0 AFAERN CSc1ccc(NC(C)C)nc1 134309871 343939201 /nfs/dbraw/zinc/93/92/01/343939201.db2.gz HZNPCBYOPLQPAI-UHFFFAOYSA-N 0 0 182.292 2.624 10 0 AFAERN CCCc1sc(C)nc1C 32153274 167114502 /nfs/dbraw/zinc/11/45/02/167114502.db2.gz BNONKJGVAXAEFW-UHFFFAOYSA-N 0 0 155.266 2.712 10 0 endogenous,in-man AFAERN CCCc1occc1-c1nc(C)no1 334196045 167115205 /nfs/dbraw/zinc/11/52/05/167115205.db2.gz KTEGAFDEIOBRHR-UHFFFAOYSA-N 0 0 192.218 2.591 10 0 AFAERN CCCc1noc(-c2ccsc2)n1 307413558 167115367 /nfs/dbraw/zinc/11/53/67/167115367.db2.gz INKGJTLUSHBZLH-UHFFFAOYSA-N 0 0 194.259 2.751 10 0 AFAERN CCCc1noc(C2=CCCC2)n1 307199448 167115651 /nfs/dbraw/zinc/11/56/51/167115651.db2.gz ZRCDJHGCFDYMNT-UHFFFAOYSA-N 0 0 178.235 2.589 10 0 AFAERN CCCc1noc(C2CCCC2)n1 307714096 167115979 /nfs/dbraw/zinc/11/59/79/167115979.db2.gz CUIWNTYTJZMAQB-UHFFFAOYSA-N 0 0 180.251 2.680 10 0 AFAERN CCCc1noc([C@H]2CCCS2)n1 306386664 167116028 /nfs/dbraw/zinc/11/60/28/167116028.db2.gz STKDZDNCGLFNTC-SSDOTTSWSA-N 0 0 198.291 2.590 10 0 AFAERN CCCc1scnc1CC 5844372 167116502 /nfs/dbraw/zinc/11/65/02/167116502.db2.gz RXMRQNDYNJNUQS-UHFFFAOYSA-N 0 0 155.266 2.658 10 0 endogenous,in-man AFAERN CCCc1noc([C@@H]2CCCS2)n1 306386665 167116677 /nfs/dbraw/zinc/11/66/77/167116677.db2.gz STKDZDNCGLFNTC-ZETCQYMHSA-N 0 0 198.291 2.590 10 0 AFAERN CCCn1c(C)cc2c1CCC[C@H]2O 41712585 167117656 /nfs/dbraw/zinc/11/76/56/167117656.db2.gz KINWCPXEIZTNJH-GFCCVEGCSA-N 0 0 193.290 2.576 10 0 AFAERN CCCn1c(C)cc2c1CCC[C@@H]2O 41712582 167117759 /nfs/dbraw/zinc/11/77/59/167117759.db2.gz KINWCPXEIZTNJH-LBPRGKRZSA-N 0 0 193.290 2.576 10 0 AFAERN CCCn1cc(C(=O)C(C)(C)C)cn1 43468182 167118013 /nfs/dbraw/zinc/11/80/13/167118013.db2.gz BRMMZVYHKBXRDG-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CCCn1cc(C(=O)CC(C)C)cn1 43468137 167118211 /nfs/dbraw/zinc/11/82/11/167118211.db2.gz BAVYGRLBXIBHRE-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CCCn1c(C)cc2c1CCCC2=O 41705147 167119559 /nfs/dbraw/zinc/11/95/59/167119559.db2.gz DEKBNRNTOGYCEK-UHFFFAOYSA-N 0 0 191.274 2.726 10 0 AFAERN CCCn1ccc2cc(F)c(N)cc21 34266565 167121087 /nfs/dbraw/zinc/12/10/87/167121087.db2.gz HTNHUXWLTVKRHP-UHFFFAOYSA-N 0 0 192.237 2.773 10 0 AFAERN C[C@]1(CC2CCCCC2)CCC(=O)N1 134326785 343939787 /nfs/dbraw/zinc/93/97/87/343939787.db2.gz XZHMFRDDXVCGTB-GFCCVEGCSA-N 0 0 195.306 2.626 10 0 AFAERN CCCn1nc(C)c(Cl)c1C 41367690 167122044 /nfs/dbraw/zinc/12/20/44/167122044.db2.gz DZLXWHTVAVLTSF-UHFFFAOYSA-N 0 0 172.659 2.563 10 0 AFAERN CCCn1ccccc1=S 32135692 167122330 /nfs/dbraw/zinc/12/23/30/167122330.db2.gz GUYLNBGFVBPJTC-UHFFFAOYSA-N 0 0 153.250 2.628 10 0 AFAERN CCCn1nc(C)c(C(=O)CC)c1C 26545715 167122351 /nfs/dbraw/zinc/12/23/51/167122351.db2.gz PKJXSALHNPWRQL-UHFFFAOYSA-N 0 0 194.278 2.503 10 0 AFAERN CC[C@@]1(CC2CCCC2)CCC(=O)N1 134336138 343940281 /nfs/dbraw/zinc/94/02/81/343940281.db2.gz ZDQGBWOPSCXMFZ-LBPRGKRZSA-N 0 0 195.306 2.626 10 0 AFAERN CCCn1nccc1-c1ccccc1 42188380 167123394 /nfs/dbraw/zinc/12/33/94/167123394.db2.gz ZCPLRGQEMFEGOH-UHFFFAOYSA-N 0 0 186.258 2.960 10 0 AFAERN CCN(C(=O)C(C)C)C1CC(C)(C)C1 334814695 167123905 /nfs/dbraw/zinc/12/39/05/167123905.db2.gz CEMVQUKTKPDOQJ-UHFFFAOYSA-N 0 0 197.322 2.680 10 0 AFAERN Cc1cncc(N[C@@H](C)C2CC2)c1 134339564 343940292 /nfs/dbraw/zinc/94/02/92/343940292.db2.gz DHFOTNUNQJOLRI-VIFPVBQESA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cncc(N[C@@H](C)C2(C)CC2)c1 134343864 343940494 /nfs/dbraw/zinc/94/04/94/343940494.db2.gz OZJVTTUEZOGIMY-JTQLQIEISA-N 0 0 190.290 2.991 10 0 AFAERN Cc1cncc(N[C@H](C)C2(C)CC2)c1 134343885 343940519 /nfs/dbraw/zinc/94/05/19/343940519.db2.gz OZJVTTUEZOGIMY-SNVBAGLBSA-N 0 0 190.290 2.991 10 0 AFAERN CCN(C)C(=O)CC1CCCCCC1 335832996 167129530 /nfs/dbraw/zinc/12/95/30/167129530.db2.gz GHKYDUNPISTAID-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CCN(C)C(=O)C1CC(C(C)(C)C)C1 334564266 167131161 /nfs/dbraw/zinc/13/11/61/167131161.db2.gz KGVOOJVUJNGHRZ-UHFFFAOYSA-N 0 0 197.322 2.537 10 0 AFAERN CCN(C(C)=O)[C@H](C)c1ccccc1 1844808 167131369 /nfs/dbraw/zinc/13/13/69/167131369.db2.gz VELYNJNBQPPHCZ-SNVBAGLBSA-N 0 0 191.274 2.616 10 0 AFAERN CCN(C(C)=O)[C@@H](C)c1ccccc1 1844807 167131762 /nfs/dbraw/zinc/13/17/62/167131762.db2.gz VELYNJNBQPPHCZ-JTQLQIEISA-N 0 0 191.274 2.616 10 0 AFAERN CCN(C(C)=S)c1ccccc1 147530872 167132061 /nfs/dbraw/zinc/13/20/61/167132061.db2.gz OWHOXGOXXLWXPG-UHFFFAOYSA-N 0 0 179.288 2.860 10 0 AFAERN CCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 335469430 167136773 /nfs/dbraw/zinc/13/67/73/167136773.db2.gz BKZYJAPEAQPLGW-LLVKDONJSA-N 0 0 195.306 2.601 10 0 AFAERN CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 335469431 167137924 /nfs/dbraw/zinc/13/79/24/167137924.db2.gz BKZYJAPEAQPLGW-NSHDSACASA-N 0 0 195.306 2.601 10 0 AFAERN CCN(C)C(=O)Nc1ccc(C)s1 306394664 167138232 /nfs/dbraw/zinc/13/82/32/167138232.db2.gz FYOMELYUWDDVNJ-UHFFFAOYSA-N 0 0 198.291 2.540 10 0 AFAERN CCN(C)Cc1ccsc1Cl 306445611 167147346 /nfs/dbraw/zinc/14/73/46/167147346.db2.gz QUKWGFPCEVRWPY-UHFFFAOYSA-N 0 0 189.711 2.853 10 0 AFAERN CCN(C)c1ccc2cc[nH]c2c1 306973581 167148631 /nfs/dbraw/zinc/14/86/31/167148631.db2.gz XHMKNMVAECAPRV-UHFFFAOYSA-N 0 0 174.247 2.624 10 0 AFAERN CCN(C)c1nc2ccccc2s1 45236930 167150640 /nfs/dbraw/zinc/15/06/40/167150640.db2.gz UENHQHQGGAIXAF-UHFFFAOYSA-N 0 0 192.287 2.752 10 0 AFAERN CCN(C)c1ccc(Cl)cc1 5139247 167150884 /nfs/dbraw/zinc/15/08/84/167150884.db2.gz XNXJABVNPPCROA-UHFFFAOYSA-N 0 0 169.655 2.796 10 0 AFAERN CCN(C)c1cccc(Cl)c1C=O 37079026 167151994 /nfs/dbraw/zinc/15/19/94/167151994.db2.gz QMZGKXXZUWLUOD-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN CCN(C=O)c1cccc2ccccc12 5311376 167155067 /nfs/dbraw/zinc/15/50/67/167155067.db2.gz WABDXLHRKRBXBD-UHFFFAOYSA-N 0 0 199.253 2.823 10 0 AFAERN Cc1c(N[C@H](C)C(C)(C)C)cnn1C 134387344 343941982 /nfs/dbraw/zinc/94/19/82/343941982.db2.gz FFDGPRCKTKEJBT-SECBINFHSA-N 0 0 195.310 2.575 10 0 AFAERN CCN(CC(C)C)c1ccccc1N 37111329 167156196 /nfs/dbraw/zinc/15/61/96/167156196.db2.gz YHSNGFIPSGLHKO-UHFFFAOYSA-N 0 0 192.306 2.751 10 0 AFAERN CCN(CC(C)C)c1cccc(F)n1 40712025 167156248 /nfs/dbraw/zinc/15/62/48/167156248.db2.gz ZFRFPVJERSYFRG-UHFFFAOYSA-N 0 0 196.269 2.703 10 0 AFAERN Cc1c(N[C@@H](C)C(C)(C)C)cnn1C 134387321 343941988 /nfs/dbraw/zinc/94/19/88/343941988.db2.gz FFDGPRCKTKEJBT-VIFPVBQESA-N 0 0 195.310 2.575 10 0 AFAERN CCN(CC(C)C)c1cccc(N)c1 37111315 167157942 /nfs/dbraw/zinc/15/79/42/167157942.db2.gz BAAVHXOREVFMDT-UHFFFAOYSA-N 0 0 192.306 2.751 10 0 AFAERN CCN(CC(C)C)c1ccc(C=O)o1 50544133 167158192 /nfs/dbraw/zinc/15/81/92/167158192.db2.gz UEWVJCONBOHDPV-UHFFFAOYSA-N 0 0 195.262 2.574 10 0 AFAERN CCN(CC)C(=O)C1=CC[C@H](C)CC1 336307946 167159725 /nfs/dbraw/zinc/15/97/25/167159725.db2.gz GVZPDFWJKBXUJU-JTQLQIEISA-N 0 0 195.306 2.601 10 0 AFAERN CCN(CC)C(=O)C1=CC[C@@H](C)CC1 336307947 167161419 /nfs/dbraw/zinc/16/14/19/167161419.db2.gz GVZPDFWJKBXUJU-SNVBAGLBSA-N 0 0 195.306 2.601 10 0 AFAERN CCN(CC)C(=S)C=C(C)C 39124620 167164103 /nfs/dbraw/zinc/16/41/03/167164103.db2.gz MYLPHFHVQSWURT-UHFFFAOYSA-N 0 0 171.309 2.622 10 0 AFAERN CCN(CC)c1ccc(F)cc1F 82712959 167172848 /nfs/dbraw/zinc/17/28/48/167172848.db2.gz GKXOYUNTLFLVGG-UHFFFAOYSA-N 0 0 185.217 2.811 10 0 AFAERN CCN(CC)c1cc(F)ccc1F 82712957 167172938 /nfs/dbraw/zinc/17/29/38/167172938.db2.gz AXJQHWALAFEQII-UHFFFAOYSA-N 0 0 185.217 2.811 10 0 AFAERN CCN(CC)c1cc(F)cc(F)c1 33947565 167173324 /nfs/dbraw/zinc/17/33/24/167173324.db2.gz FVKZWYULKLRESZ-UHFFFAOYSA-N 0 0 185.217 2.811 10 0 AFAERN CCN(CC)c1ccc(N)c(Cl)c1 77296501 167173404 /nfs/dbraw/zinc/17/34/04/167173404.db2.gz QRVRYKNKKHLWBW-UHFFFAOYSA-N 0 0 198.697 2.768 10 0 AFAERN CCN(CC)c1ccc(Cl)nc1 62465349 167173471 /nfs/dbraw/zinc/17/34/71/167173471.db2.gz XBAQXILJKOKSPY-UHFFFAOYSA-N 0 0 184.670 2.581 10 0 AFAERN CCN(CC)c1ccc(Cl)nc1C 62465697 167173641 /nfs/dbraw/zinc/17/36/41/167173641.db2.gz XPWKHCJDADGSET-UHFFFAOYSA-N 0 0 198.697 2.890 10 0 AFAERN CCN(CC)c1ccc(Cl)c(N)c1 32009734 167173843 /nfs/dbraw/zinc/17/38/43/167173843.db2.gz FJAFIQFHZMPINK-UHFFFAOYSA-N 0 0 198.697 2.768 10 0 AFAERN CCN(CC)c1cc(N)ccc1Cl 32009736 167174690 /nfs/dbraw/zinc/17/46/90/167174690.db2.gz YSVQKVFCTOXUPL-UHFFFAOYSA-N 0 0 198.697 2.768 10 0 AFAERN CCN(CC)c1ccc(O)cc1C 58405938 167176418 /nfs/dbraw/zinc/17/64/18/167176418.db2.gz FPAWMIMWECJQPV-UHFFFAOYSA-N 0 0 179.263 2.547 10 0 AFAERN CCN(CC)c1ccc2c(c1)NCC2 32008326 167176566 /nfs/dbraw/zinc/17/65/66/167176566.db2.gz KCZKUISOMOADNT-UHFFFAOYSA-N 0 0 190.290 2.501 10 0 AFAERN CCN(CC)c1occ2ccncc12 39127514 167176672 /nfs/dbraw/zinc/17/66/72/167176672.db2.gz UQBJGJAQUZRUJM-UHFFFAOYSA-N 0 0 190.246 2.674 10 0 AFAERN CCN(CC)c1cnc(Cl)c(C)c1 62465520 167176754 /nfs/dbraw/zinc/17/67/54/167176754.db2.gz BAKOWSAATULKQV-UHFFFAOYSA-N 0 0 198.697 2.890 10 0 AFAERN CCN(CC)c1ccccc1C(C)=O 19870964 167176832 /nfs/dbraw/zinc/17/68/32/167176832.db2.gz QPRSWBLIGUSFMW-UHFFFAOYSA-N 0 0 191.274 2.735 10 0 AFAERN CCN(CC)c1cccc(C(C)=O)c1 39191293 167177604 /nfs/dbraw/zinc/17/76/04/167177604.db2.gz VPAMCKLDPJWXRW-UHFFFAOYSA-N 0 0 191.274 2.735 10 0 AFAERN CCN(CC1CC1)c1ccccc1N 50454040 167177620 /nfs/dbraw/zinc/17/76/20/167177620.db2.gz VMYXLMRSZAIMON-UHFFFAOYSA-N 0 0 190.290 2.505 10 0 AFAERN CCN(CC)c1cnc(Cl)cc1C 62465882 167177631 /nfs/dbraw/zinc/17/76/31/167177631.db2.gz LOMIHDDXAVQMML-UHFFFAOYSA-N 0 0 198.697 2.890 10 0 AFAERN CON[C@H]1CC[C@@H](C)c2ccccc21 134244298 343937796 /nfs/dbraw/zinc/93/77/96/343937796.db2.gz QQUSEOQUOGFWQJ-SKDRFNHKSA-N 0 0 191.274 2.776 10 0 AFAERN CCON[C@H]1CCCC(C)(C)CC1 134250683 343937852 /nfs/dbraw/zinc/93/78/52/343937852.db2.gz OXQLZDUEVGMERF-JTQLQIEISA-N 0 0 185.311 2.886 10 0 AFAERN CCN(c1cc(F)ccc1N)C(C)C 52120018 167195005 /nfs/dbraw/zinc/19/50/05/167195005.db2.gz CRKGGSYKHXGGAF-UHFFFAOYSA-N 0 0 196.269 2.643 10 0 AFAERN CCN(c1ccc(C)cc1N)C1CC1 37079502 167195143 /nfs/dbraw/zinc/19/51/43/167195143.db2.gz CRAGEFPWSBEJGT-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN CCN(c1ccccc1N)C(C)C 57418548 167195168 /nfs/dbraw/zinc/19/51/68/167195168.db2.gz KZVJFFDWOMUJQK-UHFFFAOYSA-N 0 0 178.279 2.504 10 0 AFAERN CCN(c1cccc(O)c1)C(C)C 34185104 167195279 /nfs/dbraw/zinc/19/52/79/167195279.db2.gz UUGXNHUBJNMUCC-UHFFFAOYSA-N 0 0 179.263 2.627 10 0 AFAERN CCN(N=O)c1ccc(C)cc1 34157202 167195307 /nfs/dbraw/zinc/19/53/07/167195307.db2.gz KQWCNXXJKGBHAR-UHFFFAOYSA-N 0 0 164.208 2.503 10 0 AFAERN CCN(c1ccc(N)cc1C)C1CC1 57418448 167195324 /nfs/dbraw/zinc/19/53/24/167195324.db2.gz CVKFZJKAQHFSDQ-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN CCN(c1ccc(C)c(N)c1)C1CC1 61701138 167195530 /nfs/dbraw/zinc/19/55/30/167195530.db2.gz VTOVNILMWBQXSS-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN CCN(c1ccc(F)cc1N)C(C)C 57418541 167195545 /nfs/dbraw/zinc/19/55/45/167195545.db2.gz TUDMWPUXNKPXES-UHFFFAOYSA-N 0 0 196.269 2.643 10 0 AFAERN CCN(c1ccccc1N)C(C)(C)C 58414549 167195672 /nfs/dbraw/zinc/19/56/72/167195672.db2.gz SMINVJNTGVODOW-UHFFFAOYSA-N 0 0 192.306 2.894 10 0 AFAERN CCN(N=O)c1ccc(Cl)cc1 39402405 167195687 /nfs/dbraw/zinc/19/56/87/167195687.db2.gz KMQRJEAIHLLXDW-UHFFFAOYSA-N 0 0 184.626 2.848 10 0 AFAERN CCN(c1cccc(N)c1)C(C)C 57418531 167195798 /nfs/dbraw/zinc/19/57/98/167195798.db2.gz HESJVALIUYDMTE-UHFFFAOYSA-N 0 0 178.279 2.504 10 0 AFAERN CCN(c1cc(N)ccc1C)C1CC1 53734842 167195860 /nfs/dbraw/zinc/19/58/60/167195860.db2.gz FBMZOZBKCZNRTK-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN CCN(c1ccc(C)cc1N)C(C)C 57418526 167195882 /nfs/dbraw/zinc/19/58/82/167195882.db2.gz CQNLJLKGOXSKPE-UHFFFAOYSA-N 0 0 192.306 2.812 10 0 AFAERN CCN(c1ccc(C)c(N)c1)C(C)C 61701143 167195975 /nfs/dbraw/zinc/19/59/75/167195975.db2.gz JNKKZDYFXFOOKL-UHFFFAOYSA-N 0 0 192.306 2.812 10 0 AFAERN CCN(c1ccc(N)cc1F)C(C)C 57418532 167196081 /nfs/dbraw/zinc/19/60/81/167196081.db2.gz GNPPAKJNXYFVLM-UHFFFAOYSA-N 0 0 196.269 2.643 10 0 AFAERN CCN(c1cc(N)ccc1C)C(C)C 53734845 167196238 /nfs/dbraw/zinc/19/62/38/167196238.db2.gz UKIXTLFNXUJZOB-UHFFFAOYSA-N 0 0 192.306 2.812 10 0 AFAERN CCN(c1ccccn1)c1ccccn1 39117431 167196263 /nfs/dbraw/zinc/19/62/63/167196263.db2.gz XDDQWRRZKFCIFO-UHFFFAOYSA-N 0 0 199.257 2.635 10 0 AFAERN CCN(c1cc(N)cc(F)c1)C(C)C 37667935 167196479 /nfs/dbraw/zinc/19/64/79/167196479.db2.gz MPAJWHVGDDUCNS-UHFFFAOYSA-N 0 0 196.269 2.643 10 0 AFAERN CCN(c1cccc(F)c1N)C(C)C 37419547 167196583 /nfs/dbraw/zinc/19/65/83/167196583.db2.gz JLEDFPLEGUJNDI-UHFFFAOYSA-N 0 0 196.269 2.643 10 0 AFAERN CCN(c1ccc(N)c(C)c1)C1CC1 57454391 167196772 /nfs/dbraw/zinc/19/67/72/167196772.db2.gz RVEDFUPZPLVLPV-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN CCN(c1cccc(N)c1C)C1CC1 62724571 167196819 /nfs/dbraw/zinc/19/68/19/167196819.db2.gz PPAOSQMUBPSJRM-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN CCN(c1cccc(N)c1C)C(C)C 62724573 167196923 /nfs/dbraw/zinc/19/69/23/167196923.db2.gz LWWUSASEFRSHFL-UHFFFAOYSA-N 0 0 192.306 2.812 10 0 AFAERN CCN1C(=O)Nc2ccccc2[C@@H]1C 3624194 167197342 /nfs/dbraw/zinc/19/73/42/167197342.db2.gz NYXDDWYZAVHYQQ-QMMMGPOBSA-N 0 0 190.246 2.615 10 0 AFAERN CCN1C(=O)Nc2ccccc2[C@H]1C 3624195 167198940 /nfs/dbraw/zinc/19/89/40/167198940.db2.gz NYXDDWYZAVHYQQ-MRVPVSSYSA-N 0 0 190.246 2.615 10 0 AFAERN CCCc1ccc2[nH]c(=O)sc2c1 34414708 167106199 /nfs/dbraw/zinc/10/61/99/167106199.db2.gz DFXLVFVYVNIZBQ-UHFFFAOYSA-N 0 0 193.271 2.542 10 0 AFAERN CCCc1cccc2sc(N)nc12 49558763 167106369 /nfs/dbraw/zinc/10/63/69/167106369.db2.gz QMKUAHORZGPPHH-UHFFFAOYSA-N 0 0 192.287 2.831 10 0 AFAERN CCCc1ccc2c(c1)NC[C@H](C)O2 62521205 167106380 /nfs/dbraw/zinc/10/63/80/167106380.db2.gz JZGPEEIFGFOERF-VIFPVBQESA-N 0 0 191.274 2.832 10 0 AFAERN CCCc1ccc2c(c1)CCCN2 22221212 167106466 /nfs/dbraw/zinc/10/64/66/167106466.db2.gz UZAHGJIULHNARV-UHFFFAOYSA-N 0 0 175.275 2.997 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@@H]2CSCC2=O)C1 134560987 343945410 /nfs/dbraw/zinc/94/54/10/343945410.db2.gz CYJNERSMVIXSKT-BBBLOLIVSA-N 0 0 198.331 2.745 10 0 AFAERN O=C1CSC[C@H]1C1CCCCCC1 134557578 343945414 /nfs/dbraw/zinc/94/54/14/343945414.db2.gz RGGVVXSLMHJXIU-JTQLQIEISA-N 0 0 198.331 2.889 10 0 AFAERN CCN1CSc2ccccc21 6350244 167224386 /nfs/dbraw/zinc/22/43/86/167224386.db2.gz IITIZHOBOIBGBW-UHFFFAOYSA-N 0 0 165.261 2.576 10 0 AFAERN O=C1CSC[C@@H]1C1CCCCCC1 134557604 343945430 /nfs/dbraw/zinc/94/54/30/343945430.db2.gz RGGVVXSLMHJXIU-SNVBAGLBSA-N 0 0 198.331 2.889 10 0 AFAERN CCNC(=O)C1(C(C)C)CCCCC1 33506985 167235468 /nfs/dbraw/zinc/23/54/68/167235468.db2.gz GQFRNZVKWUZJJY-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCNC(=O)[C@@]1(C(C)C)CCC[C@@H]1C 5852816 167248942 /nfs/dbraw/zinc/24/89/42/167248942.db2.gz XDJYXLAMICXHRP-CMPLNLGQSA-N 0 0 197.322 2.585 10 0 AFAERN CCNC(=O)[C@@]1(C(C)C)CCC[C@H]1C 5852821 167250710 /nfs/dbraw/zinc/25/07/10/167250710.db2.gz XDJYXLAMICXHRP-ZYHUDNBSSA-N 0 0 197.322 2.585 10 0 AFAERN CCNC(=O)[C@]1(C(C)C)CCC[C@H]1C 5852730 167252019 /nfs/dbraw/zinc/25/20/19/167252019.db2.gz XDJYXLAMICXHRP-PWSUYJOCSA-N 0 0 197.322 2.585 10 0 AFAERN CCNC(=O)[C@]1(C(C)C)CCC[C@@H]1C 5852725 167252382 /nfs/dbraw/zinc/25/23/82/167252382.db2.gz XDJYXLAMICXHRP-JQWIXIFHSA-N 0 0 197.322 2.585 10 0 AFAERN CCNC(=O)c1ccc2ccccc2c1 39284079 167252697 /nfs/dbraw/zinc/25/26/97/167252697.db2.gz GMUVKNLJIXAYQA-UHFFFAOYSA-N 0 0 199.253 2.590 10 0 AFAERN CCNC(=O)c1cccc2ccccc12 6046679 167252942 /nfs/dbraw/zinc/25/29/42/167252942.db2.gz AGDCSWWZEXGQOA-UHFFFAOYSA-N 0 0 199.253 2.590 10 0 AFAERN CCNC(c1ccco1)c1ccco1 43607767 167256775 /nfs/dbraw/zinc/25/67/75/167256775.db2.gz YRAFGULNAJFCKD-UHFFFAOYSA-N 0 0 191.230 2.572 10 0 AFAERN CCN=C1Nc2ccccc2CS1 73733784 167260555 /nfs/dbraw/zinc/26/05/55/167260555.db2.gz QBDAQEFPQBHBGM-UHFFFAOYSA-N 0 0 192.287 2.530 10 0 AFAERN CCN[C@@H](c1ccoc1)c1ccco1 43607760 167288902 /nfs/dbraw/zinc/28/89/02/167288902.db2.gz PGLBQPYTNLGXCH-NSHDSACASA-N 0 0 191.230 2.572 10 0 AFAERN CCN[C@H](c1ccoc1)c1ccco1 43607763 167301346 /nfs/dbraw/zinc/30/13/46/167301346.db2.gz PGLBQPYTNLGXCH-LLVKDONJSA-N 0 0 191.230 2.572 10 0 AFAERN CCNc1c(C)[nH]c2ccccc12 74309067 167303755 /nfs/dbraw/zinc/30/37/55/167303755.db2.gz OKPBHZSXPSOPNP-UHFFFAOYSA-N 0 0 174.247 2.908 10 0 AFAERN CCNc1c(C)n(C)c2ccccc12 76633224 167304360 /nfs/dbraw/zinc/30/43/60/167304360.db2.gz JKQAQWSJMBFPCH-UHFFFAOYSA-N 0 0 188.274 2.919 10 0 AFAERN CCNc1c(C)cc(C)cc1OC 82587942 167304765 /nfs/dbraw/zinc/30/47/65/167304765.db2.gz BUFWLLZHTNMBJO-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CCNc1c(C)cc(OC)cc1C 71456849 167305211 /nfs/dbraw/zinc/30/52/11/167305211.db2.gz LFARTVLILQIBNC-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CCNc1c(C)cc(O)c(C)c1C 71456309 167305530 /nfs/dbraw/zinc/30/55/30/167305530.db2.gz XSRMPKACWFIRHH-UHFFFAOYSA-N 0 0 179.263 2.749 10 0 AFAERN CCNc1cc(-c2ccsc2)[nH]n1 62667921 167306096 /nfs/dbraw/zinc/30/60/96/167306096.db2.gz ANYBDSPIVYMIIR-UHFFFAOYSA-N 0 0 193.275 2.570 10 0 AFAERN CCNc1cc(O)c(C)cc1Cl 34156510 167306156 /nfs/dbraw/zinc/30/61/56/167306156.db2.gz LXDVEPXRYFWPEJ-UHFFFAOYSA-N 0 0 185.654 2.786 10 0 AFAERN CCNc1cc(C)c(OC)cc1C 82587939 167306424 /nfs/dbraw/zinc/30/64/24/167306424.db2.gz HBNDNIATAYRZFH-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CCNc1cc(C)n(C2CC2)c1C 77267246 167306579 /nfs/dbraw/zinc/30/65/79/167306579.db2.gz YAUDIMOMJPFIQA-UHFFFAOYSA-N 0 0 178.279 2.872 10 0 AFAERN CCNc1cc(Cl)cc(C(C)=O)c1 82716529 167306606 /nfs/dbraw/zinc/30/66/06/167306606.db2.gz GBWPTOPRBKWUCE-UHFFFAOYSA-N 0 0 197.665 2.974 10 0 AFAERN CCNc1c[nH]c2ccccc12 71452610 167306624 /nfs/dbraw/zinc/30/66/24/167306624.db2.gz PJLFXDBIYFXLTE-UHFFFAOYSA-N 0 0 160.220 2.600 10 0 AFAERN CCNc1cc(C)ccc1OCC 71451523 167306672 /nfs/dbraw/zinc/30/66/72/167306672.db2.gz MRQJJHXPVVPTES-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CCNc1cc(Cl)c(C)cc1O 71454595 167306814 /nfs/dbraw/zinc/30/68/14/167306814.db2.gz VMTBWDRCDLCZRQ-UHFFFAOYSA-N 0 0 185.654 2.786 10 0 AFAERN CCNc1cc(Cl)ccc1N(C)C 35037323 167306824 /nfs/dbraw/zinc/30/68/24/167306824.db2.gz WNKGCUYOIPGFIX-UHFFFAOYSA-N 0 0 198.697 2.838 10 0 AFAERN CCNc1cc(F)ccc1OCC 71464763 167306844 /nfs/dbraw/zinc/30/68/44/167306844.db2.gz DOEOJHGPTNRIJI-UHFFFAOYSA-N 0 0 183.226 2.656 10 0 AFAERN CCNc1cc2c(cc1Cl)OCO2 36970216 167306982 /nfs/dbraw/zinc/30/69/82/167306982.db2.gz QXVWREPYJHXDEH-UHFFFAOYSA-N 0 0 199.637 2.501 10 0 AFAERN CCNc1cc2ccccc2o1 59498722 167307000 /nfs/dbraw/zinc/30/70/00/167307000.db2.gz KAPGROVOMORWCW-UHFFFAOYSA-N 0 0 161.204 2.865 10 0 AFAERN CCNc1cc(C)c(C)cc1OC 82587938 167307064 /nfs/dbraw/zinc/30/70/64/167307064.db2.gz VLJUYUSVVUFAPP-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CCNc1cc(C(C)(C)C)nc(C)n1 50850582 167307076 /nfs/dbraw/zinc/30/70/76/167307076.db2.gz URPODCIFMNNSKY-UHFFFAOYSA-N 0 0 193.294 2.514 10 0 AFAERN CCNc1ccc(-c2cnco2)cc1 37775266 167307229 /nfs/dbraw/zinc/30/72/29/167307229.db2.gz RDTXIIYIBXLABR-UHFFFAOYSA-N 0 0 188.230 2.773 10 0 AFAERN CCNc1c(C)nn(C(C)C)c1C 37787368 167307252 /nfs/dbraw/zinc/30/72/52/167307252.db2.gz GGKYSZQQAZTPKU-UHFFFAOYSA-N 0 0 181.283 2.513 10 0 AFAERN CCNc1cc(CC)nc(C(C)C)n1 50851145 167307323 /nfs/dbraw/zinc/30/73/23/167307323.db2.gz XFWQOGCWIUFZQS-UHFFFAOYSA-N 0 0 193.294 2.594 10 0 AFAERN CCNc1cc(C(C)=O)ccc1Cl 82716527 167307419 /nfs/dbraw/zinc/30/74/19/167307419.db2.gz JUMQEUQVVYGHJB-UHFFFAOYSA-N 0 0 197.665 2.974 10 0 AFAERN CCNc1c(O)ccc2ccccc12 71445686 167307450 /nfs/dbraw/zinc/30/74/50/167307450.db2.gz WXXZORJPBJRBRL-UHFFFAOYSA-N 0 0 187.242 2.977 10 0 AFAERN CCNc1cc(C)nc([C@H](C)CC)n1 51690715 167307464 /nfs/dbraw/zinc/30/74/64/167307464.db2.gz GWWPHYUWWWNBAI-MRVPVSSYSA-N 0 0 193.294 2.730 10 0 AFAERN CCNc1cc(-c2cccs2)[nH]n1 62667870 167307481 /nfs/dbraw/zinc/30/74/81/167307481.db2.gz FLDNFCWIGRMGKP-UHFFFAOYSA-N 0 0 193.275 2.570 10 0 AFAERN CCNc1ccc(-c2cc[nH]n2)cc1 37104838 167307505 /nfs/dbraw/zinc/30/75/05/167307505.db2.gz VZVLYYNQXBJUKP-UHFFFAOYSA-N 0 0 187.246 2.509 10 0 AFAERN CCNc1cc(-c2ccccc2)ncn1 50848373 167307584 /nfs/dbraw/zinc/30/75/84/167307584.db2.gz HGIRRYCNVYXUAN-UHFFFAOYSA-N 0 0 199.257 2.575 10 0 AFAERN CCNc1cc(Cl)nc(C(C)C)n1 82509556 167307616 /nfs/dbraw/zinc/30/76/16/167307616.db2.gz DPXXTMABPFZWNE-UHFFFAOYSA-N 0 0 199.685 2.685 10 0 AFAERN CCNc1cc(C)nc([C@@H](C)CC)n1 51690716 167307624 /nfs/dbraw/zinc/30/76/24/167307624.db2.gz GWWPHYUWWWNBAI-QMMMGPOBSA-N 0 0 193.294 2.730 10 0 AFAERN CCNc1ccc(-c2c[nH]cn2)cc1 37071762 167307805 /nfs/dbraw/zinc/30/78/05/167307805.db2.gz FJKCEKNSKCRNFY-UHFFFAOYSA-N 0 0 187.246 2.509 10 0 AFAERN CCNc1ccc(N[C@@H](C)CC)nc1 41626395 167308261 /nfs/dbraw/zinc/30/82/61/167308261.db2.gz YZGBOTOKOBKJHQ-VIFPVBQESA-N 0 0 193.294 2.724 10 0 AFAERN CCNc1ccnc(C2CCCC2)n1 50852829 167308307 /nfs/dbraw/zinc/30/83/07/167308307.db2.gz MTTYTMZYRPJCQE-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN CCNc1ccc2ncsc2c1 45237276 167308371 /nfs/dbraw/zinc/30/83/71/167308371.db2.gz ICHPICWHSIJANA-UHFFFAOYSA-N 0 0 178.260 2.728 10 0 AFAERN CCNc1cccc(Cl)c1N(C)C 37127323 167308387 /nfs/dbraw/zinc/30/83/87/167308387.db2.gz LEFHHUXEEDUMPY-UHFFFAOYSA-N 0 0 198.697 2.838 10 0 AFAERN CCNc1ccccc1N1CCCC1 35037970 167308395 /nfs/dbraw/zinc/30/83/95/167308395.db2.gz PNLDMFLBUIDIKP-UHFFFAOYSA-N 0 0 190.290 2.719 10 0 AFAERN CCNc1cccc2cnccc12 35020916 167308476 /nfs/dbraw/zinc/30/84/76/167308476.db2.gz WAMNFMOZYWPGRS-UHFFFAOYSA-N 0 0 172.231 2.667 10 0 AFAERN CCNc1ccc(OC(C)C)cc1 20472806 167308709 /nfs/dbraw/zinc/30/87/09/167308709.db2.gz KFNUASICPPNYSX-UHFFFAOYSA-N 0 0 179.263 2.906 10 0 AFAERN CCNc1cccc2cccc(N)c12 34594187 167308781 /nfs/dbraw/zinc/30/87/81/167308781.db2.gz QLJBCMRUNNTYLH-UHFFFAOYSA-N 0 0 186.258 2.854 10 0 AFAERN CCNc1ccc(SC)cc1 19906471 167308863 /nfs/dbraw/zinc/30/88/63/167308863.db2.gz WNHUUKHYGOKSKD-UHFFFAOYSA-N 0 0 167.277 2.840 10 0 AFAERN CCNc1ccc(NCC(C)C)nc1 41626202 167308972 /nfs/dbraw/zinc/30/89/72/167308972.db2.gz GXKFZPKPEQSVMZ-UHFFFAOYSA-N 0 0 193.294 2.581 10 0 AFAERN CCNc1ccccc1C(=O)SC 72417476 167308988 /nfs/dbraw/zinc/30/89/88/167308988.db2.gz ABSJFRMVRJQPAR-UHFFFAOYSA-N 0 0 195.287 2.622 10 0 AFAERN CCNc1cccc(OC(F)F)c1 37006753 167309012 /nfs/dbraw/zinc/30/90/12/167309012.db2.gz JDEWTTXKDKMYBI-UHFFFAOYSA-N 0 0 187.189 2.720 10 0 AFAERN CCNc1ccc(OC)cc1Cl 71463753 167309129 /nfs/dbraw/zinc/30/91/29/167309129.db2.gz DLJKIKMSQXDTIU-UHFFFAOYSA-N 0 0 185.654 2.780 10 0 AFAERN CCNc1ccc(OCC)c(C)c1 82587941 167309178 /nfs/dbraw/zinc/30/91/78/167309178.db2.gz XGYMFEULHLLEIC-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CCNc1cccc2ncccc12 19906885 167309221 /nfs/dbraw/zinc/30/92/21/167309221.db2.gz SDBRVBXYYBYLMK-UHFFFAOYSA-N 0 0 172.231 2.667 10 0 AFAERN CCNc1ccc2oc(C)nc2c1 20144139 167309274 /nfs/dbraw/zinc/30/92/74/167309274.db2.gz LEXZONXVDMRVKB-UHFFFAOYSA-N 0 0 176.219 2.568 10 0 AFAERN CCNc1ccc2nc(C)oc2c1 77266149 167309363 /nfs/dbraw/zinc/30/93/63/167309363.db2.gz RBXGWILVSCZDIB-UHFFFAOYSA-N 0 0 176.219 2.568 10 0 AFAERN CCNc1ccnc(C(F)(F)F)c1 307255310 167309390 /nfs/dbraw/zinc/30/93/90/167309390.db2.gz APOBXUHNFXXDBV-UHFFFAOYSA-N 0 0 190.168 2.532 10 0 AFAERN CCNc1ccc(Cl)s1 71452582 167309395 /nfs/dbraw/zinc/30/93/95/167309395.db2.gz LHDIMKVKKSVFMQ-UHFFFAOYSA-N 0 0 161.657 2.833 10 0 AFAERN CCNc1ccc2oc(CC)nc2c1 37785995 167309419 /nfs/dbraw/zinc/30/94/19/167309419.db2.gz JTNMCLURPNWTEE-UHFFFAOYSA-N 0 0 190.246 2.822 10 0 AFAERN CCNc1ccc(OC)c(C)c1C 71456719 167309498 /nfs/dbraw/zinc/30/94/98/167309498.db2.gz GVONPSZJXGNAQX-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CCNc1ccc(N[C@H](C)CC)nc1 41626392 167309507 /nfs/dbraw/zinc/30/95/07/167309507.db2.gz YZGBOTOKOBKJHQ-SECBINFHSA-N 0 0 193.294 2.724 10 0 AFAERN CCNc1ccc2c(c1)CCCC2 59288374 167309552 /nfs/dbraw/zinc/30/95/52/167309552.db2.gz QRWYAAZCMBFBAE-UHFFFAOYSA-N 0 0 175.275 2.997 10 0 AFAERN CCNc1cccc(SC)c1 19900669 167309706 /nfs/dbraw/zinc/30/97/06/167309706.db2.gz KLZIHVWCZHFSIC-UHFFFAOYSA-N 0 0 167.277 2.840 10 0 AFAERN CCNc1ccc(OC)c(CC)c1 82587940 167309831 /nfs/dbraw/zinc/30/98/31/167309831.db2.gz NLKSWDKBBDXTHZ-UHFFFAOYSA-N 0 0 179.263 2.689 10 0 AFAERN CCNc1cccc(N2CCCC2)c1 37775018 167309952 /nfs/dbraw/zinc/30/99/52/167309952.db2.gz IVZDOSQRYVXVOK-UHFFFAOYSA-N 0 0 190.290 2.719 10 0 AFAERN CCNc1ccc(O)c2ccccc12 45298701 167309960 /nfs/dbraw/zinc/30/99/60/167309960.db2.gz SKQYPGROWSDIBN-UHFFFAOYSA-N 0 0 187.242 2.977 10 0 in-vivo AFAERN CCNc1cccc(-n2cccc2)c1 37104309 167309989 /nfs/dbraw/zinc/30/99/89/167309989.db2.gz FWVRYWZRFYUCEU-UHFFFAOYSA-N 0 0 186.258 2.909 10 0 AFAERN CCNc1ccc2ncccc2c1 54107949 167310012 /nfs/dbraw/zinc/31/00/12/167310012.db2.gz WRDJFIPYCWXFHU-UHFFFAOYSA-N 0 0 172.231 2.667 10 0 AFAERN CCNc1ccc(OCC)c(F)c1 82588053 167310025 /nfs/dbraw/zinc/31/00/25/167310025.db2.gz NVDCPTWYSHOIFD-UHFFFAOYSA-N 0 0 183.226 2.656 10 0 AFAERN CCNc1ccc(OCC)c(OC)c1 35037845 167310101 /nfs/dbraw/zinc/31/01/01/167310101.db2.gz QAXFBEOSLSUYEW-UHFFFAOYSA-N 0 0 195.262 2.526 10 0 AFAERN CCNc1cccc2cccnc12 19903729 167310468 /nfs/dbraw/zinc/31/04/68/167310468.db2.gz KQQJLXPIKPOAOD-UHFFFAOYSA-N 0 0 172.231 2.667 10 0 AFAERN CCNc1ccc(N(C)C)c(Cl)c1 37781174 167310510 /nfs/dbraw/zinc/31/05/10/167310510.db2.gz JMUHMONOBWLHPW-UHFFFAOYSA-N 0 0 198.697 2.838 10 0 AFAERN CCNc1ccc(O)c(C(C)C)c1 71455745 167310594 /nfs/dbraw/zinc/31/05/94/167310594.db2.gz MTFJEURRUNKNGU-UHFFFAOYSA-N 0 0 179.263 2.947 10 0 AFAERN CCNc1ccc2c(c1)OC(C)(C)O2 36933914 167310829 /nfs/dbraw/zinc/31/08/29/167310829.db2.gz ORTGXZWUTVFKSA-UHFFFAOYSA-N 0 0 193.246 2.626 10 0 AFAERN CCNc1cccc(OCC)c1 37780178 167310833 /nfs/dbraw/zinc/31/08/33/167310833.db2.gz PERUGIXDQKVIKY-UHFFFAOYSA-N 0 0 165.236 2.517 10 0 AFAERN CCNc1cccc(-c2cnco2)c1 37779470 167310913 /nfs/dbraw/zinc/31/09/13/167310913.db2.gz NSPSOHNBXWFMKM-UHFFFAOYSA-N 0 0 188.230 2.773 10 0 AFAERN CCNc1cccc(-c2cc[nH]n2)c1 37137379 167310987 /nfs/dbraw/zinc/31/09/87/167310987.db2.gz VOFXPJAOMUJIDX-UHFFFAOYSA-N 0 0 187.246 2.509 10 0 AFAERN CCNc1ccc2ccccc2n1 21796561 167311024 /nfs/dbraw/zinc/31/10/24/167311024.db2.gz GVBLKFLAWLSBBF-UHFFFAOYSA-N 0 0 172.231 2.667 10 0 AFAERN CCNc1ccc(OCC)cc1C 37781721 167311406 /nfs/dbraw/zinc/31/14/06/167311406.db2.gz BGDXAPBLHVJMIO-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CCNc1nc(-c2ccco2)cs1 57382447 167311619 /nfs/dbraw/zinc/31/16/19/167311619.db2.gz YRADMAIGNYZNNV-UHFFFAOYSA-N 0 0 194.259 2.835 10 0 AFAERN CCNc1nc2c(s1)C[C@H](C)CC2 61714374 167311713 /nfs/dbraw/zinc/31/17/13/167311713.db2.gz SBASAMIWUOMMPE-SSDOTTSWSA-N 0 0 196.319 2.700 10 0 AFAERN CCNc1nc(C)nc(C)c1C(C)C 61687429 167311739 /nfs/dbraw/zinc/31/17/39/167311739.db2.gz NZZKTKJZLYIDRL-UHFFFAOYSA-N 0 0 193.294 2.649 10 0 AFAERN CCNc1nc2c(F)cccc2s1 41651409 167311845 /nfs/dbraw/zinc/31/18/45/167311845.db2.gz FYMWHVZUIQULCL-UHFFFAOYSA-N 0 0 196.250 2.867 10 0 AFAERN CCNc1cn(C)c2ccccc12 77265594 167312088 /nfs/dbraw/zinc/31/20/88/167312088.db2.gz GXRFXHXANOORDK-UHFFFAOYSA-N 0 0 174.247 2.610 10 0 AFAERN CCNc1cnc(-c2ccccc2)nc1 37073266 167312184 /nfs/dbraw/zinc/31/21/84/167312184.db2.gz RNAGMBBQQUQBFE-UHFFFAOYSA-N 0 0 199.257 2.575 10 0 AFAERN CCNc1ccnc2ccc(F)cc12 50843989 167312457 /nfs/dbraw/zinc/31/24/57/167312457.db2.gz JGAIHYKLAHUAJB-UHFFFAOYSA-N 0 0 190.221 2.806 10 0 AFAERN CC[C@@H](CC(C)=O)c1ccccn1 196462839 167501945 /nfs/dbraw/zinc/50/19/45/167501945.db2.gz RNQGIELLFORLPK-JTQLQIEISA-N 0 0 177.247 2.554 10 0 AFAERN CCNc1ncc(Cl)cc1Cl 20005891 167312863 /nfs/dbraw/zinc/31/28/63/167312863.db2.gz FMAKNAARXKBZNA-UHFFFAOYSA-N 0 0 191.061 2.820 10 0 AFAERN CCNc1nc2c(s1)C[C@@H](C)CC2 61714375 167313068 /nfs/dbraw/zinc/31/30/68/167313068.db2.gz SBASAMIWUOMMPE-ZETCQYMHSA-N 0 0 196.319 2.700 10 0 AFAERN CCNc1nc(C2CCCCC2)no1 53750208 167313125 /nfs/dbraw/zinc/31/31/25/167313125.db2.gz BSUJTVJLAOVAHD-UHFFFAOYSA-N 0 0 195.266 2.549 10 0 AFAERN CCNc1nccc2sccc12 35687683 167313200 /nfs/dbraw/zinc/31/32/00/167313200.db2.gz NMPUCHCYBGYPTM-UHFFFAOYSA-N 0 0 178.260 2.728 10 0 AFAERN CCNc1nc2c(s1)CCCCC2 62986991 167313294 /nfs/dbraw/zinc/31/32/94/167313294.db2.gz QSELHMUUJDPVQI-UHFFFAOYSA-N 0 0 196.319 2.844 10 0 AFAERN CCNc1nc2cc(F)ccc2s1 37206211 167313387 /nfs/dbraw/zinc/31/33/87/167313387.db2.gz KHHGESBDCPIJPF-UHFFFAOYSA-N 0 0 196.250 2.867 10 0 AFAERN CCNc1nc2cc(Cl)ccc2[nH]1 82741441 167313449 /nfs/dbraw/zinc/31/34/49/167313449.db2.gz HDKHKLSPPGZFBA-UHFFFAOYSA-N 0 0 195.653 2.648 10 0 AFAERN CCNc1ncc(C(F)(F)F)s1 306545571 167313570 /nfs/dbraw/zinc/31/35/70/167313570.db2.gz CQBZBFAQBCLJTF-UHFFFAOYSA-N 0 0 196.197 2.594 10 0 AFAERN CCNc1ncc(C(C)(C)C)s1 61877232 167313611 /nfs/dbraw/zinc/31/36/11/167313611.db2.gz CWRDRYJJOHDKIT-UHFFFAOYSA-N 0 0 184.308 2.872 10 0 AFAERN CCNc1nc(-c2ccccc2)co1 95091436 167314759 /nfs/dbraw/zinc/31/47/59/167314759.db2.gz PVCHYDBPWPGIPU-UHFFFAOYSA-N 0 0 188.230 2.773 10 0 AFAERN CCNc1cnc2ccccc2c1 36990086 167314826 /nfs/dbraw/zinc/31/48/26/167314826.db2.gz MVJHXYWZNMKRJT-UHFFFAOYSA-N 0 0 172.231 2.667 10 0 AFAERN CCNc1occ2ccccc12 95630430 167315726 /nfs/dbraw/zinc/31/57/26/167315726.db2.gz NYYNOBCYEVDZQU-UHFFFAOYSA-N 0 0 161.204 2.865 10 0 AFAERN CCO/C=C(\C)c1ccccc1N 75567628 167315935 /nfs/dbraw/zinc/31/59/35/167315935.db2.gz GBQWKGMEVDKMDP-CMDGGOBGSA-N 0 0 177.247 2.666 10 0 AFAERN CCO/C(Cl)=C(\Cl)OCC 33649741 167315983 /nfs/dbraw/zinc/31/59/83/167315983.db2.gz RZOCYRAAHUWEBG-AATRIKPKSA-N 0 0 185.050 2.664 10 0 AFAERN CCNc1nsc2ccccc12 1401 167316397 /nfs/dbraw/zinc/31/63/97/167316397.db2.gz CPYSWRYVSINXMC-UHFFFAOYSA-N 0 0 178.260 2.728 10 0 in-man AFAERN CCOC(=N)c1ccc(C)c(C)c1 37928176 167316800 /nfs/dbraw/zinc/31/68/00/167316800.db2.gz CXORKHHELAMAHJ-UHFFFAOYSA-N 0 0 177.247 2.665 10 0 AFAERN CCOC(=N)c1cccc(C)c1C 43314742 167316936 /nfs/dbraw/zinc/31/69/36/167316936.db2.gz XYKBTQLRACRMNA-UHFFFAOYSA-N 0 0 177.247 2.665 10 0 AFAERN CCOC(=N)c1cc(C)ccc1C 49670078 167317383 /nfs/dbraw/zinc/31/73/83/167317383.db2.gz KGHLQGPRFVDISW-UHFFFAOYSA-N 0 0 177.247 2.665 10 0 AFAERN CCOC(=N)Cc1cc(F)cc(F)c1 49349597 167317483 /nfs/dbraw/zinc/31/74/83/167317483.db2.gz QGCSALLUIHOAHG-UHFFFAOYSA-N 0 0 199.200 2.521 10 0 AFAERN CCOC(=N)[C@@H]1CCc2ccccc21 34453740 167317914 /nfs/dbraw/zinc/31/79/14/167317914.db2.gz CEYNDOVQJYVNKO-LLVKDONJSA-N 0 0 189.258 2.730 10 0 AFAERN CCOC(=N)c1ccc(C)cc1C 37928126 167318086 /nfs/dbraw/zinc/31/80/86/167318086.db2.gz ZPKUWDSWTVMOLE-UHFFFAOYSA-N 0 0 177.247 2.665 10 0 AFAERN CCOC(=O)/C(C)=C\C(C)(C)C 96024344 167318885 /nfs/dbraw/zinc/31/88/85/167318885.db2.gz FJSPLBAXDGTACK-FPLPWBNLSA-N 0 0 170.252 2.542 10 0 in-vitro AFAERN CCOC(=N)c1ccc(Cl)s1 37928116 167319000 /nfs/dbraw/zinc/31/90/00/167319000.db2.gz PCFHIORJEHKZJJ-UHFFFAOYSA-N 0 0 189.667 2.763 10 0 AFAERN CCOC(=N)c1ccc(CC)s1 51716891 167319121 /nfs/dbraw/zinc/31/91/21/167319121.db2.gz UFALCRQNULFACM-UHFFFAOYSA-N 0 0 183.276 2.672 10 0 AFAERN CCOC(=N)[C@H]1CCc2ccccc21 34453742 167319281 /nfs/dbraw/zinc/31/92/81/167319281.db2.gz CEYNDOVQJYVNKO-NSHDSACASA-N 0 0 189.258 2.730 10 0 AFAERN CCOC(=O)/C(C)=C\c1ccc(C)o1 34450372 167319427 /nfs/dbraw/zinc/31/94/27/167319427.db2.gz GYKUPZDLPHUNBO-FPLPWBNLSA-N 0 0 194.230 2.554 10 0 AFAERN CCOC(=O)/C=C/[C@H]1C[C@H]2CC[C@@H]1C2 95883552 167320311 /nfs/dbraw/zinc/32/03/11/167320311.db2.gz HSCQVKURBIBHJY-VJZJGBKASA-N 0 0 194.274 2.542 10 0 AFAERN CCOC(=O)/C=C/c1ccccc1C 14592900 167320568 /nfs/dbraw/zinc/32/05/68/167320568.db2.gz FVVNCRMEGJFCPL-CMDGGOBGSA-N 0 0 190.242 2.571 10 0 AFAERN CCOC(=O)/C=C/[C@@H]1C[C@H]2CC[C@@H]1C2 95883551 167320624 /nfs/dbraw/zinc/32/06/24/167320624.db2.gz HSCQVKURBIBHJY-ARGPXSTMSA-N 0 0 194.274 2.542 10 0 AFAERN CCOC(=O)/C=C1/CC[C@H](C)C1(C)C 39112566 167321496 /nfs/dbraw/zinc/32/14/96/167321496.db2.gz LKSAHIKDIFVSHP-CUQRQBARSA-N 0 0 196.290 2.932 10 0 AFAERN CCOC(=O)/C=C1/CC[C@@H](C)C1(C)C 39112567 167322206 /nfs/dbraw/zinc/32/22/06/167322206.db2.gz LKSAHIKDIFVSHP-URLRMUCDSA-N 0 0 196.290 2.932 10 0 AFAERN CCOC(=O)C1=C(C)C=CCC1(C)C 2534696 167323079 /nfs/dbraw/zinc/32/30/79/167323079.db2.gz KYEZYLFPHRVFBF-UHFFFAOYSA-N 0 0 194.274 2.852 10 0 AFAERN CCOC(=O)C(C)=C1CCCCC1 39242811 167323770 /nfs/dbraw/zinc/32/37/70/167323770.db2.gz GKYTXKTWJSHPFK-UHFFFAOYSA-N 0 0 182.263 2.830 10 0 AFAERN CC1CCC([C@@H]2CSCC2=O)CC1 134569328 343945866 /nfs/dbraw/zinc/94/58/66/343945866.db2.gz PLPRQARLRXZHAN-RTBKNWGFSA-N 0 0 198.331 2.745 10 0 AFAERN O=C1CSC[C@H]1CC1CCCCC1 134566988 343945867 /nfs/dbraw/zinc/94/58/67/343945867.db2.gz HOKXKMGHKBJXCW-SNVBAGLBSA-N 0 0 198.331 2.889 10 0 AFAERN CCOC(=O)CC/C=C(\C)CC 43875667 167329439 /nfs/dbraw/zinc/32/94/39/167329439.db2.gz XMVRBBIGWOPXLO-VQHVLOKHSA-N 0 0 170.252 2.686 10 0 AFAERN CCOC(=O)CCCCC(C)C 14591950 167330127 /nfs/dbraw/zinc/33/01/27/167330127.db2.gz DOXQODVJBLUBKS-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN CCOC(=O)CCCCCCCF 2040804 167330791 /nfs/dbraw/zinc/33/07/91/167330791.db2.gz CHPYVNWQOQDEMI-UHFFFAOYSA-N 0 0 190.258 2.860 10 0 AFAERN CCOC(=O)CC[C@@H]1C[C@H]2CC[C@@H]1C2 95883553 167332313 /nfs/dbraw/zinc/33/23/13/167332313.db2.gz AMNZGAJUSFXSFY-HBNTYKKESA-N 0 0 196.290 2.766 10 0 AFAERN CCOC(=O)CC[C@H]1C[C@H]2CC[C@@H]1C2 95883554 167333050 /nfs/dbraw/zinc/33/30/50/167333050.db2.gz AMNZGAJUSFXSFY-AXFHLTTASA-N 0 0 196.290 2.766 10 0 AFAERN CCOC(=O)C[C@H]1C=CC=CC1(C)C 67172161 167337679 /nfs/dbraw/zinc/33/76/79/167337679.db2.gz ZOGRPOZNEZJMAR-SNVBAGLBSA-N 0 0 194.274 2.708 10 0 AFAERN CC1CCC([C@H]2CSCC2=O)CC1 134569345 343945908 /nfs/dbraw/zinc/94/59/08/343945908.db2.gz PLPRQARLRXZHAN-UDNWOFFPSA-N 0 0 198.331 2.745 10 0 AFAERN CCOC(=O)NCCC1CCCCC1 70226326 167341023 /nfs/dbraw/zinc/34/10/23/167341023.db2.gz QIEHVWUAKOODQW-UHFFFAOYSA-N 0 0 199.294 2.703 10 0 AFAERN CCOC(=O)NCCC1=CCCCC1 5473144 167341492 /nfs/dbraw/zinc/34/14/92/167341492.db2.gz VLYUTRFIZQPMNM-UHFFFAOYSA-N 0 0 197.278 2.623 10 0 AFAERN CCOC(=O)NC1CCCCCCC1 5473143 167341988 /nfs/dbraw/zinc/34/19/88/167341988.db2.gz VTUGPKGUAZPJHD-UHFFFAOYSA-N 0 0 199.294 2.845 10 0 AFAERN CCOC(=O)Nc1cccc(CC)c1 5477408 167344276 /nfs/dbraw/zinc/34/42/76/167344276.db2.gz WPZRRMHARNXPSP-UHFFFAOYSA-N 0 0 193.246 2.817 10 0 AFAERN CCOC(=O)Nc1cccc(C)c1 5952872 167344447 /nfs/dbraw/zinc/34/44/47/167344447.db2.gz XYSNXNHHBUFLLV-UHFFFAOYSA-N 0 0 179.219 2.563 10 0 AFAERN CCOC(=O)Nc1ccc(C)c(C)c1 396698 167345567 /nfs/dbraw/zinc/34/55/67/167345567.db2.gz KWCDBVQAIRGTOY-UHFFFAOYSA-N 0 0 193.246 2.872 10 0 AFAERN CCOC(=O)Nc1cc(C)cc(C)c1 5952865 167345773 /nfs/dbraw/zinc/34/57/73/167345773.db2.gz KBZBBDSIBDGBKD-UHFFFAOYSA-N 0 0 193.246 2.872 10 0 AFAERN CCOC(=O)[C@@H](CC)c1ccsc1 39249352 167346480 /nfs/dbraw/zinc/34/64/80/167346480.db2.gz GVEVXKKXVBMZOG-VIFPVBQESA-N 0 0 198.287 2.805 10 0 AFAERN CCOC(=O)[C@@H](CC)c1cccs1 52248324 167348357 /nfs/dbraw/zinc/34/83/57/167348357.db2.gz QBNMRGYWLIWDDB-QMMMGPOBSA-N 0 0 198.287 2.805 10 0 AFAERN CCOC(=O)[C@@H]1C(C)=CCC[C@@H]1C 44200618 167350322 /nfs/dbraw/zinc/35/03/22/167350322.db2.gz LOAFDTNYKNCTAA-VHSXEESVSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)[C@@H]1CC(C)=C[C@H](C)C1 44200589 167350588 /nfs/dbraw/zinc/35/05/88/167350588.db2.gz QKEPZHQDERXYPT-WPRPVWTQSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)[C@@H]1CC(C)=C[C@@H](C)C1 44200587 167352152 /nfs/dbraw/zinc/35/21/52/167352152.db2.gz QKEPZHQDERXYPT-SCZZXKLOSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)[C@@H]1C(C)=CCC[C@H]1C 44200616 167352593 /nfs/dbraw/zinc/35/25/93/167352593.db2.gz LOAFDTNYKNCTAA-NXEZZACHSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)[C@@H]1CC[C@@H]2C=CC[C@H]1C2 32225315 167354633 /nfs/dbraw/zinc/35/46/33/167354633.db2.gz AHPAGJYBHSNFBR-GARJFASQSA-N 0 0 194.274 2.542 10 0 AFAERN CCOC(=O)[C@H](CC)c1cccs1 52248325 167359204 /nfs/dbraw/zinc/35/92/04/167359204.db2.gz QBNMRGYWLIWDDB-MRVPVSSYSA-N 0 0 198.287 2.805 10 0 AFAERN CCOC(=O)[C@H](CC)c1ccsc1 39249353 167359532 /nfs/dbraw/zinc/35/95/32/167359532.db2.gz GVEVXKKXVBMZOG-SECBINFHSA-N 0 0 198.287 2.805 10 0 AFAERN CCOC(=O)[C@H]1C(C)=CCC[C@H]1C 44200615 167360820 /nfs/dbraw/zinc/36/08/20/167360820.db2.gz LOAFDTNYKNCTAA-ZJUUUORDSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)[C@H]1C(C)=CCC[C@@H]1C 44200617 167361577 /nfs/dbraw/zinc/36/15/77/167361577.db2.gz LOAFDTNYKNCTAA-UWVGGRQHSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)[C@H]1CC(C)=C[C@@H](C)C1 44200586 167362046 /nfs/dbraw/zinc/36/20/46/167362046.db2.gz QKEPZHQDERXYPT-PSASIEDQSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)[C@H]1CC(C)=C[C@H](C)C1 44200588 167362083 /nfs/dbraw/zinc/36/20/83/167362083.db2.gz QKEPZHQDERXYPT-WCBMZHEXSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)[C@H]1CC[C@@H]2C=CC[C@H]1C2 32225316 167363117 /nfs/dbraw/zinc/36/31/17/167363117.db2.gz AHPAGJYBHSNFBR-DCAQKATOSA-N 0 0 194.274 2.542 10 0 AFAERN CCOC(=O)c1cc(C)c(C)cc1C 43503710 167369649 /nfs/dbraw/zinc/36/96/49/167369649.db2.gz RQUIMIOFBASHLX-UHFFFAOYSA-N 0 0 192.258 2.789 10 0 AFAERN CCOC(=O)c1cccc(SC)c1 1688898 167371827 /nfs/dbraw/zinc/37/18/27/167371827.db2.gz DXATWXQPWLCGPA-UHFFFAOYSA-N 0 0 196.271 2.585 10 0 AFAERN CCOC(CCC(C)C)OCC 43503138 167376874 /nfs/dbraw/zinc/37/68/74/167376874.db2.gz OIEZCWFCXVSIGQ-UHFFFAOYSA-N 0 0 174.284 2.822 10 0 AFAERN CCOC(=O)n1ccc2ccccc21 1574329 167378021 /nfs/dbraw/zinc/37/80/21/167378021.db2.gz OEXNQFWEJRSZBW-UHFFFAOYSA-N 0 0 189.214 2.646 10 0 AFAERN CCOC(CC=C(C)C)OCC 43503131 167378082 /nfs/dbraw/zinc/37/80/82/167378082.db2.gz RRDSYGVVBNEMSQ-UHFFFAOYSA-N 0 0 172.268 2.742 10 0 AFAERN CCOC(CC(C)(C)C)OCC 43502958 167378268 /nfs/dbraw/zinc/37/82/68/167378268.db2.gz LBBUWLCUHRHKEA-UHFFFAOYSA-N 0 0 174.284 2.822 10 0 AFAERN CCOC(=O)c1occ2ccccc12 67173930 167378585 /nfs/dbraw/zinc/37/85/85/167378585.db2.gz ORFXFFDHZFPERZ-UHFFFAOYSA-N 0 0 190.198 2.610 10 0 AFAERN CCOC(OCC)[C@H]1C=CCCC1 43502806 167379270 /nfs/dbraw/zinc/37/92/70/167379270.db2.gz FZYQBJIEMOZEKC-JTQLQIEISA-N 0 0 184.279 2.742 10 0 AFAERN CCOC/C(=C/SC)SC 22003919 167379308 /nfs/dbraw/zinc/37/93/08/167379308.db2.gz BUEDKUVJMHVIHX-SREVYHEPSA-N 0 0 178.322 2.590 10 0 AFAERN CCOC(OCC)[C@@H]1C=CCCC1 43502808 167379611 /nfs/dbraw/zinc/37/96/11/167379611.db2.gz FZYQBJIEMOZEKC-SNVBAGLBSA-N 0 0 184.279 2.742 10 0 AFAERN CCOC(OCC)C(CC)CC 43503278 167379779 /nfs/dbraw/zinc/37/97/79/167379779.db2.gz CADUKBFOYHURNS-UHFFFAOYSA-N 0 0 174.284 2.822 10 0 AFAERN CCOC(C[C@@H](C)CC)OCC 43503135 167380138 /nfs/dbraw/zinc/38/01/38/167380138.db2.gz DDDATCFVFMGOKQ-VIFPVBQESA-N 0 0 174.284 2.822 10 0 AFAERN CCOC(OCC)C(C)(C)CC 43502956 167380160 /nfs/dbraw/zinc/38/01/60/167380160.db2.gz WXFXADPMRPBMFP-UHFFFAOYSA-N 0 0 174.284 2.822 10 0 AFAERN CCOC1=CCCCCC1 75835025 167380603 /nfs/dbraw/zinc/38/06/03/167380603.db2.gz LZBFLXMNWMKFKX-UHFFFAOYSA-N 0 0 140.226 2.871 10 0 AFAERN CCOC(OCC)c1cccc(F)c1 43503048 167380617 /nfs/dbraw/zinc/38/06/17/167380617.db2.gz QVWSBUPWIMDPHV-UHFFFAOYSA-N 0 0 198.237 2.897 10 0 AFAERN CCOC1=Cc2ccccc2C1 39419273 167380717 /nfs/dbraw/zinc/38/07/17/167380717.db2.gz PTKKJETUDXYELO-UHFFFAOYSA-N 0 0 160.216 2.620 10 0 AFAERN CCOC(C[C@H](C)CC)OCC 43503133 167381318 /nfs/dbraw/zinc/38/13/18/167381318.db2.gz DDDATCFVFMGOKQ-SECBINFHSA-N 0 0 174.284 2.822 10 0 AFAERN CCOC=C1CCCCC1 39213968 167383700 /nfs/dbraw/zinc/38/37/00/167383700.db2.gz XFBWOMHYIUMVCY-UHFFFAOYSA-N 0 0 140.226 2.871 10 0 AFAERN CC(C)(C)CC[C@@H]1CSC[C@@H]1O 134666897 343947895 /nfs/dbraw/zinc/94/78/95/343947895.db2.gz LCTUYLHZDLVVDD-BDAKNGLRSA-N 0 0 188.336 2.537 10 0 AFAERN CCOCCC[C@@H](O)c1ccccc1 43656555 167385937 /nfs/dbraw/zinc/38/59/37/167385937.db2.gz PPECCMDRYUHART-GFCCVEGCSA-N 0 0 194.274 2.537 10 0 AFAERN CCOCCC[C@H](O)c1ccccc1 43656553 167387749 /nfs/dbraw/zinc/38/77/49/167387749.db2.gz PPECCMDRYUHART-LBPRGKRZSA-N 0 0 194.274 2.537 10 0 AFAERN CCOCCCn1c(C)ccc1C 35120330 167389243 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1481043 167406125 /nfs/dbraw/zinc/40/61/25/167406125.db2.gz KYSBBACQJIWEJY-GFCCVEGCSA-N 0 0 192.258 2.743 10 0 AFAERN CCO[P@]1(=O)CCC[C@H](C)C1 3844334 167408102 /nfs/dbraw/zinc/40/81/02/167408102.db2.gz PKUTWSKGCIVVON-GZMMTYOYSA-N 0 0 176.196 2.731 10 0 AFAERN CCO[P@@]1(=O)CCC[C@@H](C)C1 3844335 167408602 /nfs/dbraw/zinc/40/86/02/167408602.db2.gz PKUTWSKGCIVVON-KCJUWKMLSA-N 0 0 176.196 2.731 10 0 AFAERN CCOc1cc(C)c(C(C)=O)cc1C 36156760 167410806 /nfs/dbraw/zinc/41/08/06/167410806.db2.gz OQTGNFUSCREDNR-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CCOc1cc(C)c(C=O)cc1Cl 71507770 167411559 /nfs/dbraw/zinc/41/15/59/167411559.db2.gz IUPQNQAFZNAXBJ-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN CCOc1cc(C)c([C@@H](C)O)cc1C 36156973 167412003 /nfs/dbraw/zinc/41/20/03/167412003.db2.gz ZSEWOCLGQXBIQE-SNVBAGLBSA-N 0 0 194.274 2.755 10 0 AFAERN CCOc1c(Cl)cccc1C(C)=O 41209581 167412708 /nfs/dbraw/zinc/41/27/08/167412708.db2.gz DIVBRYMFOBMFDS-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CCOc1cc(Cl)cc(Cl)n1 91363859 167414113 /nfs/dbraw/zinc/41/41/13/167414113.db2.gz MXYZMDGUIMUWIV-UHFFFAOYSA-N 0 0 192.045 2.787 10 0 AFAERN CCOc1ccc(-n2cccc2)cc1 1519707 167414609 /nfs/dbraw/zinc/41/46/09/167414609.db2.gz SLXWHGRFZZMZIV-UHFFFAOYSA-N 0 0 187.242 2.876 10 0 AFAERN CCOc1ccc(C(=O)CC)c(C)c1 71453377 167414615 /nfs/dbraw/zinc/41/46/15/167414615.db2.gz IRJQYFMVKTZXJH-UHFFFAOYSA-N 0 0 192.258 2.986 10 0 AFAERN CCOc1cc2c[nH]nc2cc1Cl 89197110 167415118 /nfs/dbraw/zinc/41/51/18/167415118.db2.gz UGLGGQQJQCUJGF-UHFFFAOYSA-N 0 0 196.637 2.615 10 0 AFAERN CCOc1ccc(C)cc1[C@@H](O)CC 51599990 167416665 /nfs/dbraw/zinc/41/66/65/167416665.db2.gz OMDWRNGZFSYXJZ-NSHDSACASA-N 0 0 194.274 2.837 10 0 AFAERN CCOc1ccc(C(C)C)cc1N 36201524 167417524 /nfs/dbraw/zinc/41/75/24/167417524.db2.gz ONQSZFISFXFTLC-UHFFFAOYSA-N 0 0 179.263 2.791 10 0 AFAERN CCOc1ccc(F)c2cc[nH]c12 89204674 167418094 /nfs/dbraw/zinc/41/80/94/167418094.db2.gz BKNQBSLBEFXJRY-UHFFFAOYSA-N 0 0 179.194 2.706 10 0 AFAERN CCOc1ccc([C@@H](O)C2CC2)cc1 36156764 167418701 /nfs/dbraw/zinc/41/87/01/167418701.db2.gz UUNIVDXKHIYPGS-LBPRGKRZSA-N 0 0 192.258 2.529 10 0 AFAERN CCOc1ccc(N)c(C(C)C)c1 36201861 167420046 /nfs/dbraw/zinc/42/00/46/167420046.db2.gz LUIZUEZOOKQUMN-UHFFFAOYSA-N 0 0 179.263 2.791 10 0 AFAERN CCOc1ccc(N)cc1C(C)C 71452701 167420613 /nfs/dbraw/zinc/42/06/13/167420613.db2.gz PDJUVPJFRNZVRN-UHFFFAOYSA-N 0 0 179.263 2.791 10 0 AFAERN CCOc1ccc([C@@H]2CO2)cc1Cl 71507771 167420816 /nfs/dbraw/zinc/42/08/16/167420816.db2.gz LRZWFLVGAIAZHI-JTQLQIEISA-N 0 0 198.649 2.810 10 0 AFAERN CCOc1ccc(NC)c(C)c1C 71456624 167421020 /nfs/dbraw/zinc/42/10/20/167421020.db2.gz QWBRPBWVHUUKPO-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CCOc1ccc2occc2c1 39136443 167421755 /nfs/dbraw/zinc/42/17/55/167421755.db2.gz LWBQKGGSVAEWSB-UHFFFAOYSA-N 0 0 162.188 2.832 10 0 AFAERN CCOc1cccc(CCC(C)=O)c1 62153313 167421818 /nfs/dbraw/zinc/42/18/18/167421818.db2.gz KTYIRABUKSWGKM-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN CCOc1ccc([C@H](C)O)c(C)c1C 71456635 167422030 /nfs/dbraw/zinc/42/20/30/167422030.db2.gz BADPSFMSKMDADZ-JTQLQIEISA-N 0 0 194.274 2.755 10 0 AFAERN CCOc1ccc2c(c1)[C@H](C)CN2 19948179 167422234 /nfs/dbraw/zinc/42/22/34/167422234.db2.gz LADXAGUCNRPRNB-MRVPVSSYSA-N 0 0 177.247 2.614 10 0 AFAERN CCOc1ccc2c(C)ccnc2c1 39090299 167423293 /nfs/dbraw/zinc/42/32/93/167423293.db2.gz VKCKCXSNMMBEQJ-UHFFFAOYSA-N 0 0 187.242 2.942 10 0 AFAERN CCOc1cccc2c1N[C@H](C)CC2 19965378 167425884 /nfs/dbraw/zinc/42/58/84/167425884.db2.gz PDGLXBYNUAHOJT-SECBINFHSA-N 0 0 191.274 2.832 10 0 AFAERN CCOc1ccccc1[C@@H](O)CC 34164989 167426804 /nfs/dbraw/zinc/42/68/04/167426804.db2.gz RRWKYHAJORAXNX-JTQLQIEISA-N 0 0 180.247 2.529 10 0 AFAERN CCOc1ccccc1[C@H](O)CC 34164990 167428050 /nfs/dbraw/zinc/42/80/50/167428050.db2.gz RRWKYHAJORAXNX-SNVBAGLBSA-N 0 0 180.247 2.529 10 0 AFAERN CCOc1ncc([C@H](C)CC)nc1C 26675089 167430711 /nfs/dbraw/zinc/43/07/11/167430711.db2.gz FPRCLVKNNFOHHX-MRVPVSSYSA-N 0 0 194.278 2.697 10 0 AFAERN CCSCc1cccc(N)c1C 35649542 167435812 /nfs/dbraw/zinc/43/58/12/167435812.db2.gz ZYTQSWSJXDJQAY-UHFFFAOYSA-N 0 0 181.304 2.830 10 0 AFAERN CCSCc1ccccc1O 2382699 167435966 /nfs/dbraw/zinc/43/59/66/167435966.db2.gz QZBBPVLBIUUYRH-UHFFFAOYSA-N 0 0 168.261 2.645 10 0 in-vitro AFAERN CCSCc1cc(N)ccc1OC 36722349 167436036 /nfs/dbraw/zinc/43/60/36/167436036.db2.gz UHVCPHOBRDCIEC-UHFFFAOYSA-N 0 0 197.303 2.531 10 0 AFAERN CCS[C@@H](C)c1cnc(C)cn1 306262869 167436761 /nfs/dbraw/zinc/43/67/61/167436761.db2.gz MKRWWZPMCNJLQV-QMMMGPOBSA-N 0 0 182.292 2.599 10 0 AFAERN CCSc1ccc2ncsc2n1 89229863 167438026 /nfs/dbraw/zinc/43/80/26/167438026.db2.gz JBVHKBUNAVHEFS-UHFFFAOYSA-N 0 0 196.300 2.803 10 0 AFAERN CCSc1ccc(N)cc1F 20474999 167438048 /nfs/dbraw/zinc/43/80/48/167438048.db2.gz SEIUYVNBJBTNGX-UHFFFAOYSA-N 0 0 171.240 2.520 10 0 AFAERN CCSc1ccc(C)cc1C=O 83224222 167438080 /nfs/dbraw/zinc/43/80/80/167438080.db2.gz KRRAULFEMWRMOV-UHFFFAOYSA-N 0 0 180.272 2.920 10 0 AFAERN CCSc1ccc(N)c(C)c1 35278621 167438276 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/nfs/dbraw/zinc/45/17/06/167451706.db2.gz VIIOLWYAAMKHDR-SSDOTTSWSA-N 0 0 168.261 2.977 10 0 AFAERN CC[C@@H](C)CC(=O)N1CCCC1(C)C 336366804 167452140 /nfs/dbraw/zinc/45/21/40/167452140.db2.gz KUBOJPSMKOJNEM-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@@H](C)CN(C)c1ccc(C=O)o1 50544137 167455659 /nfs/dbraw/zinc/45/56/59/167455659.db2.gz RPIAJPUFVWLLQD-SECBINFHSA-N 0 0 195.262 2.574 10 0 AFAERN CC[C@@H](C)CSc1ncccc1N 50425034 167456761 /nfs/dbraw/zinc/45/67/61/167456761.db2.gz DMMDDSMMDPTTPR-MRVPVSSYSA-N 0 0 196.319 2.802 10 0 AFAERN CC[C@@H](C)C[C@H](O)CC(C)C 1601000 167456794 /nfs/dbraw/zinc/45/67/94/167456794.db2.gz ZFOGJEKQQNVCFB-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](C)COc1ccc(N)c(F)c1 50423306 167456850 /nfs/dbraw/zinc/45/68/50/167456850.db2.gz XBBXTBLHLFHNPL-MRVPVSSYSA-N 0 0 197.253 2.833 10 0 AFAERN CC[C@@H](C)CNc1nc(C)cs1 54474573 167456858 /nfs/dbraw/zinc/45/68/58/167456858.db2.gz BUVSMJZAFZHDFW-SSDOTTSWSA-N 0 0 184.308 2.910 10 0 AFAERN CC[C@@H](C)C[C@H]1CCCC1=O 50425990 167456898 /nfs/dbraw/zinc/45/68/98/167456898.db2.gz UBBAITOSCOBMMJ-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](C)C[C@@H]1CCCC1=O 50425985 167457312 /nfs/dbraw/zinc/45/73/12/167457312.db2.gz UBBAITOSCOBMMJ-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](C)C[C@@H](C)C[C@@H](C)O 35854901 167457398 /nfs/dbraw/zinc/45/73/98/167457398.db2.gz OVVDTMHBELPPCQ-OPRDCNLKSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](C)C[C@@H](C)CCCO 33605478 167457424 /nfs/dbraw/zinc/45/74/24/167457424.db2.gz JOWDWXPTKVUHBV-ZJUUUORDSA-N 0 0 158.285 2.831 10 0 AFAERN CC[C@@H](C)CNc1cncc(Cl)n1 54490397 167457506 /nfs/dbraw/zinc/45/75/06/167457506.db2.gz GXHHIBKENQENDV-SSDOTTSWSA-N 0 0 199.685 2.588 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1ccco1 34621921 167457983 /nfs/dbraw/zinc/45/79/83/167457983.db2.gz LBAQYYXNDYMXRC-RKDXNWHRSA-N 0 0 168.236 2.749 10 0 AFAERN CC[C@@H](C)CNc1cc(Cl)ncn1 54490392 167458478 /nfs/dbraw/zinc/45/84/78/167458478.db2.gz AOBHXAFJLRDEKT-SSDOTTSWSA-N 0 0 199.685 2.588 10 0 AFAERN CC[C@@H](C)C[C@H](C)C(C)=O 50425974 167458541 /nfs/dbraw/zinc/45/85/41/167458541.db2.gz OMHNBLSGUXNATQ-SFYZADRCSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@@H](C)COc1ccccc1C=O 50424721 167458545 /nfs/dbraw/zinc/45/85/45/167458545.db2.gz DYTGJRVKYNPCAX-SNVBAGLBSA-N 0 0 192.258 2.924 10 0 AFAERN CC[C@@H](C)CSc1ccncc1N 50425031 167458641 /nfs/dbraw/zinc/45/86/41/167458641.db2.gz NIDZJBLEWMYCJD-MRVPVSSYSA-N 0 0 196.319 2.802 10 0 AFAERN CC[C@@H](C)Cc1cccnc1 39374714 167458767 /nfs/dbraw/zinc/45/87/67/167458767.db2.gz HEPPEJMGBGUFBV-SECBINFHSA-N 0 0 149.237 2.670 10 0 AFAERN CC[C@@H](C)COc1ccccc1N 50423224 167458997 /nfs/dbraw/zinc/45/89/97/167458997.db2.gz LBIFDQCXUQTRGF-SECBINFHSA-N 0 0 179.263 2.694 10 0 AFAERN CC[C@@H](C)CNc1cc(F)ccc1N 54466950 167459147 /nfs/dbraw/zinc/45/91/47/167459147.db2.gz XCHPEFYMCJRJHN-MRVPVSSYSA-N 0 0 196.269 2.866 10 0 AFAERN CC[C@@H](C)N(C)c1cc(N)cc(F)c1 37667944 167462320 /nfs/dbraw/zinc/46/23/20/167462320.db2.gz FJUJBAVEXRZOIT-MRVPVSSYSA-N 0 0 196.269 2.643 10 0 AFAERN CC[C@@H](C)Nc1ccc(C)c(N)c1 61700795 167478688 /nfs/dbraw/zinc/47/86/88/167478688.db2.gz AHMHOEPSOWLIFP-SECBINFHSA-N 0 0 178.279 2.788 10 0 AFAERN CC[C@@H](C)Nc1ccc(C)cc1N 37401209 167478905 /nfs/dbraw/zinc/47/89/05/167478905.db2.gz OTZVQCQTXLCKCM-SECBINFHSA-N 0 0 178.279 2.788 10 0 AFAERN CC[C@@H](C)Nc1ccccc1[C@H](C)O 49542513 167479505 /nfs/dbraw/zinc/47/95/05/167479505.db2.gz CBLIKRXXZYYUGX-ZJUUUORDSA-N 0 0 193.290 2.950 10 0 AFAERN CC[C@@H](C)Nc1ccccc1[C@@H](C)O 49542511 167479867 /nfs/dbraw/zinc/47/98/67/167479867.db2.gz CBLIKRXXZYYUGX-NXEZZACHSA-N 0 0 193.290 2.950 10 0 AFAERN CC[C@@H](C)Nc1cccc(O)c1 20193963 167480010 /nfs/dbraw/zinc/48/00/10/167480010.db2.gz XQUZYKVGDXCGNF-MRVPVSSYSA-N 0 0 165.236 2.603 10 0 AFAERN CC[C@@H](C)Nc1cc(F)ccc1N 52119038 167481027 /nfs/dbraw/zinc/48/10/27/167481027.db2.gz IOZHCICTDCKAHX-SSDOTTSWSA-N 0 0 182.242 2.618 10 0 AFAERN CC[C@@H](C)SC1CCOCC1 306301349 167481597 /nfs/dbraw/zinc/48/15/97/167481597.db2.gz ZLTMOSWFEVKPJY-MRVPVSSYSA-N 0 0 174.309 2.697 10 0 AFAERN CC[C@@H](C)OCc1cccc(N)c1 44342175 167482339 /nfs/dbraw/zinc/48/23/39/167482339.db2.gz IQAXMFZVBCSPES-SECBINFHSA-N 0 0 179.263 2.584 10 0 AFAERN CC[C@@H](C)Oc1ccc(NC)cc1 38056644 167482531 /nfs/dbraw/zinc/48/25/31/167482531.db2.gz ATEIGAQQCRDKQF-SECBINFHSA-N 0 0 179.263 2.906 10 0 AFAERN CC[C@@H](C)Oc1ccccc1O 34370825 167483341 /nfs/dbraw/zinc/48/33/41/167483341.db2.gz MAHBRCSFUWZVFC-MRVPVSSYSA-N 0 0 166.220 2.570 10 0 AFAERN CC[C@@H](C)SCC(=O)c1ccc[nH]1 35182601 167483681 /nfs/dbraw/zinc/48/36/81/167483681.db2.gz UXWXFAXFSRFEAZ-MRVPVSSYSA-N 0 0 197.303 2.729 10 0 AFAERN CC[C@@H](C)OC[C@H](O)c1ccccc1 44236687 167483737 /nfs/dbraw/zinc/48/37/37/167483737.db2.gz XHBQPDDNJWHZJM-PWSUYJOCSA-N 0 0 194.274 2.535 10 0 AFAERN CC[C@@H](C)OCc1cc(F)ccc1N 48263996 167483841 /nfs/dbraw/zinc/48/38/41/167483841.db2.gz BFCPWCUZUPEHSM-MRVPVSSYSA-N 0 0 197.253 2.723 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1c(C)n[nH]c1C 36734461 167485688 /nfs/dbraw/zinc/48/56/88/167485688.db2.gz DAXZPSGUIGJAMQ-HTQZYQBOSA-N 0 0 195.310 2.873 10 0 AFAERN CC[C@@H](C)[C@@H](CO)Nc1ccccc1 41050488 167486384 /nfs/dbraw/zinc/48/63/84/167486384.db2.gz GAWJUIQOJZQHRA-ZYHUDNBSSA-N 0 0 193.290 2.506 10 0 AFAERN CC[C@@H](C)[C@@H](O)C1=CCCCC1 50328937 167488213 /nfs/dbraw/zinc/48/82/13/167488213.db2.gz BFXXCHHDTDUBGJ-MWLCHTKSSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)CC(C)C 37745624 167490279 /nfs/dbraw/zinc/49/02/79/167490279.db2.gz RCSCLTAIPNDFGC-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](C)[C@H](O)C1=CCCCC1 50328935 167493109 /nfs/dbraw/zinc/49/31/09/167493109.db2.gz BFXXCHHDTDUBGJ-KOLCDFICSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@H](C)[C@](C)(O)C1CCCC1 37745626 167494993 /nfs/dbraw/zinc/49/49/93/167494993.db2.gz QDIQWQKMKNPHGY-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)c1cc(O)cc(O)c1 39292193 167495175 /nfs/dbraw/zinc/49/51/75/167495175.db2.gz JBYQSYLXSFHOMT-SSDOTTSWSA-N 0 0 166.220 2.611 10 0 AFAERN CC[C@@H](C)c1csc(N2CCC2)n1 334911104 167495247 /nfs/dbraw/zinc/49/52/47/167495247.db2.gz GRSXQMCJXMDJSW-MRVPVSSYSA-N 0 0 196.319 2.867 10 0 AFAERN CC[C@@H](C)c1cscc1N 82406522 167496554 /nfs/dbraw/zinc/49/65/54/167496554.db2.gz NSBGXHPGWGLNIV-ZCFIWIBFSA-N 0 0 155.266 2.844 10 0 AFAERN CC[C@@H](C)c1cccc(O)c1 5922795 167496780 /nfs/dbraw/zinc/49/67/80/167496780.db2.gz NBYBZLCUXTUWBA-MRVPVSSYSA-N 0 0 150.221 2.906 10 0 AFAERN CC[C@@H](C)c1noc(C2(C)CC2)n1 306517013 167498122 /nfs/dbraw/zinc/49/81/22/167498122.db2.gz ZUNJBTYLIPYRJP-SSDOTTSWSA-N 0 0 180.251 2.635 10 0 AFAERN CC[C@@H](C)n1nc(C(C)(C)C)cc1N 40931479 167498189 /nfs/dbraw/zinc/49/81/89/167498189.db2.gz OLHZXGPXVSHTDJ-MRVPVSSYSA-N 0 0 195.310 2.734 10 0 AFAERN CC[C@@H](C)c1nc(C)sc1N 50308159 167499121 /nfs/dbraw/zinc/49/91/21/167499121.db2.gz FWMKXEAJOGSUBZ-RXMQYKEDSA-N 0 0 170.281 2.547 10 0 AFAERN CC[C@@H](C)n1ccc2c1CCC[C@H]2O 41712369 167500168 /nfs/dbraw/zinc/50/01/68/167500168.db2.gz SNOITBXRKBQZAO-BXKDBHETSA-N 0 0 193.290 2.829 10 0 AFAERN CC[C@@H](C)n1ccc2c1CCC[C@@H]2O 41712362 167500306 /nfs/dbraw/zinc/50/03/06/167500306.db2.gz SNOITBXRKBQZAO-SKDRFNHKSA-N 0 0 193.290 2.829 10 0 AFAERN CCNc1ccc2c(c1)CCC2 19913972 167311203 /nfs/dbraw/zinc/31/12/03/167311203.db2.gz JCBKDXJYQCLMLK-UHFFFAOYSA-N 0 0 161.248 2.607 10 0 AFAERN CCNc1ccnc(C(CC)CC)n1 51690765 167311273 /nfs/dbraw/zinc/31/12/73/167311273.db2.gz DIFKRFLCEGSNMK-UHFFFAOYSA-N 0 0 193.294 2.812 10 0 AFAERN CCNc1cccc2ccc(C)nc12 59809886 167311293 /nfs/dbraw/zinc/31/12/93/167311293.db2.gz BZWQNPWCBWSBLC-UHFFFAOYSA-N 0 0 186.258 2.975 10 0 AFAERN CC[C@@H](CCC(C)C)[C@@H](C)O 43656928 167506215 /nfs/dbraw/zinc/50/62/15/167506215.db2.gz NTTSQOLDGRPMPG-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](CC1CCCC1)[C@H](C)O 43657200 167507302 /nfs/dbraw/zinc/50/73/02/167507302.db2.gz ZQQNWYILJPBNCK-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](CCO)c1ccccc1 5922902 167507692 /nfs/dbraw/zinc/50/76/92/167507692.db2.gz JPPLSSACGHEOFN-JTQLQIEISA-N 0 0 164.248 2.563 10 0 AFAERN CC[C@@H](CC=C(C)C)[C@@H](C)O 43656882 167507996 /nfs/dbraw/zinc/50/79/96/167507996.db2.gz MEKHCKYSDQWCPS-ZJUUUORDSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@@H](CO)c1ccc2c(c1)CCC2 41205080 167513204 /nfs/dbraw/zinc/51/32/04/167513204.db2.gz CUWPTWQJJFROMT-JTQLQIEISA-N 0 0 190.286 2.661 10 0 AFAERN CC[C@@H](CO)c1ccc(C)c(C)c1 41200518 167513570 /nfs/dbraw/zinc/51/35/70/167513570.db2.gz SGAHGGMCADYAFP-NSHDSACASA-N 0 0 178.275 2.789 10 0 AFAERN CC[C@@H](CO)c1cc(C)ccc1C 41200529 167514165 /nfs/dbraw/zinc/51/41/65/167514165.db2.gz BCKNZUXOCCCYCV-NSHDSACASA-N 0 0 178.275 2.789 10 0 AFAERN CC[C@@H](Cc1cccs1)[C@H](C)O 43657007 167515318 /nfs/dbraw/zinc/51/53/18/167515318.db2.gz TYMPZUBDRGKGGT-IUCAKERBSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@@H](Cc1ccccc1F)C(C)=O 38004220 167515799 /nfs/dbraw/zinc/51/57/99/167515799.db2.gz OCSOATKUNBRWPO-JTQLQIEISA-N 0 0 194.249 2.983 10 0 AFAERN CC[C@@H](Cc1ccccc1F)[C@@H](C)O 43656948 167515885 /nfs/dbraw/zinc/51/58/85/167515885.db2.gz ITSLZZOTICOUOB-ZJUUUORDSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@@H](Cc1ccccc1)[C@H](C)O 44469712 167516875 /nfs/dbraw/zinc/51/68/75/167516875.db2.gz VQIIOVRPLODBPE-JQWIXIFHSA-N 0 0 178.275 2.636 10 0 AFAERN CC[C@@H](Cc1ccccc1C)[C@@H](C)O 43657100 167517083 /nfs/dbraw/zinc/51/70/83/167517083.db2.gz KONYXYJREAGHBX-NEPJUHHUSA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@@H](Cc1ccccc1F)[C@H](C)O 43656950 167517287 /nfs/dbraw/zinc/51/72/87/167517287.db2.gz ITSLZZOTICOUOB-UWVGGRQHSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@@H](Cc1cccc(F)c1)[C@@H](C)O 43657083 167518045 /nfs/dbraw/zinc/51/80/45/167518045.db2.gz YYOINXWKBQAMTQ-KOLCDFICSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@@H](O)CCc1cccc(F)c1 43657783 167533220 /nfs/dbraw/zinc/53/32/20/167533220.db2.gz BXQSRPDOWMRUQL-LLVKDONJSA-N 0 0 182.238 2.529 10 0 AFAERN CC[C@@H](O)/C=C\c1cccs1 90413838 167533793 /nfs/dbraw/zinc/53/37/93/167533793.db2.gz XILUGUMEEGVFRV-RPSMYOMKSA-N 0 0 168.261 2.532 10 0 AFAERN CC[C@@H](Nc1ccc(N)nc1)C(C)C 42586660 167534056 /nfs/dbraw/zinc/53/40/56/167534056.db2.gz LNLPVLPJLQJUKX-SNVBAGLBSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@@H](O)CCc1ccc(F)cc1 43657791 167534381 /nfs/dbraw/zinc/53/43/81/167534381.db2.gz VLLYFZAFJQTCSU-LLVKDONJSA-N 0 0 182.238 2.529 10 0 AFAERN CC[C@@H](O)CCc1ccccc1C 43657798 167534737 /nfs/dbraw/zinc/53/47/37/167534737.db2.gz BVUFCXYKEJAMEM-GFCCVEGCSA-N 0 0 178.275 2.699 10 0 AFAERN CC[C@@H](O)CCc1cccc(C)c1 43657795 167534992 /nfs/dbraw/zinc/53/49/92/167534992.db2.gz GDXMRJCQYVCPFS-GFCCVEGCSA-N 0 0 178.275 2.699 10 0 AFAERN CC[C@@H](O)CCC1CCCC1 44469816 167535298 /nfs/dbraw/zinc/53/52/98/167535298.db2.gz WPTHHNYYOGLGLQ-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@H](O)C1CCC(C)CC1 44983449 167535358 /nfs/dbraw/zinc/53/53/58/167535358.db2.gz CLFGGNQNXRZZLV-UDNWOFFPSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](O)CCc1ccccc1F 43657724 167535585 /nfs/dbraw/zinc/53/55/85/167535585.db2.gz NOHGOWVNNYGWPZ-SNVBAGLBSA-N 0 0 182.238 2.529 10 0 AFAERN CC[C@@H](O)CNc1ccc(Cl)cc1 37688537 167537405 /nfs/dbraw/zinc/53/74/05/167537405.db2.gz JHGWUGQEENZKNE-SNVBAGLBSA-N 0 0 199.681 2.523 10 0 AFAERN CC[C@@H](O)CNc1cccc(Cl)c1 37688533 167537489 /nfs/dbraw/zinc/53/74/89/167537489.db2.gz JNYIPJGZZMNPOP-SNVBAGLBSA-N 0 0 199.681 2.523 10 0 AFAERN CC[C@@H](O)c1cc(C)c(C)cc1OC 36156959 167539408 /nfs/dbraw/zinc/53/94/08/167539408.db2.gz OKDHMHBDGAGMIW-LLVKDONJSA-N 0 0 194.274 2.755 10 0 AFAERN CC[C@@H](O)c1ccc(OC)c(C)c1C 71456731 167539683 /nfs/dbraw/zinc/53/96/83/167539683.db2.gz GLBQBQVYPDAGJT-LLVKDONJSA-N 0 0 194.274 2.755 10 0 AFAERN CC[C@@H](O)c1c(C)cc(OC)cc1C 36156970 167540134 /nfs/dbraw/zinc/54/01/34/167540134.db2.gz IPHPBRJSKOFYTF-LLVKDONJSA-N 0 0 194.274 2.755 10 0 AFAERN CC[C@@H](O)[C@H]1CCC[C@H](C)C1 44980021 167540200 /nfs/dbraw/zinc/54/02/00/167540200.db2.gz ADAKRBPCADLFLA-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](O)c1ccc2c(c1)CCC2 36156278 167540662 /nfs/dbraw/zinc/54/06/62/167540662.db2.gz INPQISVVVIEIHA-GFCCVEGCSA-N 0 0 176.259 2.619 10 0 AFAERN CC[C@@H](O)c1c(C)nn(C(C)C)c1C 26546924 167540935 /nfs/dbraw/zinc/54/09/35/167540935.db2.gz BEXYLAVWYKYIPE-SNVBAGLBSA-N 0 0 196.294 2.524 10 0 AFAERN CC[C@@H](O)c1ccc(OC(C)C)cc1 35628300 167540955 /nfs/dbraw/zinc/54/09/55/167540955.db2.gz JTOPFGOZJRKKEV-GFCCVEGCSA-N 0 0 194.274 2.917 10 0 AFAERN CC[C@@H]1CC(=O)c2cc(F)ccc21 41200291 167544612 /nfs/dbraw/zinc/54/46/12/167544612.db2.gz CGTWEJADTHGJNA-SSDOTTSWSA-N 0 0 178.206 2.906 10 0 AFAERN CC[C@@H]1CCC(=O)[C@@H](CCCOC)C1 43653644 167545220 /nfs/dbraw/zinc/54/52/20/167545220.db2.gz FMVORHDGGBXJEC-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H]1CC(=O)c2cccc(OC)c21 41205024 167545698 /nfs/dbraw/zinc/54/56/98/167545698.db2.gz XQOSPLKOZSCYFJ-MRVPVSSYSA-N 0 0 190.242 2.775 10 0 AFAERN CC[C@@H]1CC(=O)c2ccccc21 39342154 167546766 /nfs/dbraw/zinc/54/67/66/167546766.db2.gz KNUNPFLGVSVQQF-MRVPVSSYSA-N 0 0 160.216 2.767 10 0 AFAERN CC[C@@H]1CCCC[C@H]1OC(C)=O 39089739 167547851 /nfs/dbraw/zinc/54/78/51/167547851.db2.gz FTTKPCQDOGXTPC-NXEZZACHSA-N 0 0 170.252 2.518 10 0 AFAERN CC[C@@H]1CCCN1C(=O)CC1CCC1 334908544 167548892 /nfs/dbraw/zinc/54/88/92/167548892.db2.gz DNIUIQZXJXJULR-LLVKDONJSA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@@H]1CCCC[C@H]1C(C)=O 39070016 167549669 /nfs/dbraw/zinc/54/96/69/167549669.db2.gz JADMDNHJWJSMOV-ZJUUUORDSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H]1CCCN1c1ccccc1N 37913079 167552201 /nfs/dbraw/zinc/55/22/01/167552201.db2.gz KDOZVPAPGKWKAO-SNVBAGLBSA-N 0 0 190.290 2.648 10 0 AFAERN CC[C@@H]1CCN1C(=O)[C@H](C)C(C)(C)C 335452680 167555002 /nfs/dbraw/zinc/55/50/02/167555002.db2.gz VBGLCOWUJNXDKP-VHSXEESVSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H]1CCN1C(=O)C1CCCCC1 335045871 167555293 /nfs/dbraw/zinc/55/52/93/167555293.db2.gz MWWSGLZWVAPYRI-LLVKDONJSA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@@H]1CCc2ccccc2[C@H]1O 43659451 167559349 /nfs/dbraw/zinc/55/93/49/167559349.db2.gz GJKPWJBCWHMXCY-SKDRFNHKSA-N 0 0 176.259 2.692 10 0 AFAERN CC[C@@H]1CNc2cc(C)cc(C)c2O1 62521442 167560740 /nfs/dbraw/zinc/56/07/40/167560740.db2.gz LNZPBUOWFUAJQN-SNVBAGLBSA-N 0 0 191.274 2.886 10 0 AFAERN CC[C@@H]1CNc2c(C)ccc(C)c2O1 62521455 167561898 /nfs/dbraw/zinc/56/18/98/167561898.db2.gz BFNMIGAFFUGRIP-SNVBAGLBSA-N 0 0 191.274 2.886 10 0 AFAERN CC[C@@H]1CNc2cc(OC)ccc21 71486389 167563241 /nfs/dbraw/zinc/56/32/41/167563241.db2.gz GQTUHEODQZDJQX-MRVPVSSYSA-N 0 0 177.247 2.614 10 0 AFAERN CC[C@@H]1COc2ccc(C)cc2N1 62519712 167563895 /nfs/dbraw/zinc/56/38/95/167563895.db2.gz BQEIVYDQUGTFSO-SECBINFHSA-N 0 0 177.247 2.578 10 0 AFAERN CC[C@@H]1C[C@@H](O)c2ccccc21 39342144 167565525 /nfs/dbraw/zinc/56/55/25/167565525.db2.gz CSAQXDIIPZDDDZ-LDYMZIIASA-N 0 0 162.232 2.617 10 0 AFAERN CC[C@@H]1C[C@@H](C)CN1C(=O)CC(C)C 334325224 167565980 /nfs/dbraw/zinc/56/59/80/167565980.db2.gz AQKOTIHJOHFXAL-GHMZBOCLSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H]1CNc2ccc(F)c(F)c2O1 75883282 167566865 /nfs/dbraw/zinc/56/68/65/167566865.db2.gz RHPQAZNMHMZLST-ZCFIWIBFSA-N 0 0 199.200 2.548 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc(C(C)C)no1 335159460 167567125 /nfs/dbraw/zinc/56/71/25/167567125.db2.gz QSQFMFMESXBPTJ-HTQZYQBOSA-N 0 0 180.251 2.707 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)Nc1ccccc1 307452639 167567488 /nfs/dbraw/zinc/56/74/88/167567488.db2.gz TZHXQHFIJGZTDS-MWLCHTKSSA-N 0 0 189.258 2.671 10 0 AFAERN CC[C@@H]1OCC[C@H](c2ccccc2)O1 39120277 167574222 /nfs/dbraw/zinc/57/42/22/167574222.db2.gz BWMHXTRXHSOMIB-VXGBXAGGSA-N 0 0 192.258 2.901 10 0 AFAERN CC[C@@](C)(CO)Cc1cccc(C)c1 34156598 167575526 /nfs/dbraw/zinc/57/55/26/167575526.db2.gz GAIZONKUJIZLJH-CYBMUJFWSA-N 0 0 192.302 2.946 10 0 AFAERN CC[C@@](C)(CO)Nc1ccc(C)cc1 38112208 167575632 /nfs/dbraw/zinc/57/56/32/167575632.db2.gz MXRVRQFFSODEDZ-LBPRGKRZSA-N 0 0 193.290 2.568 10 0 AFAERN CC[C@@](C)(O)Cc1cccc(C)c1 37463579 167578419 /nfs/dbraw/zinc/57/84/19/167578419.db2.gz YEMSGBAGEZNIBF-GFCCVEGCSA-N 0 0 178.275 2.699 10 0 AFAERN CC[C@@](O)(CC(C)C)C(C)C 17823070 167579118 /nfs/dbraw/zinc/57/91/18/167579118.db2.gz PKDBJMLGFKRGPA-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@](O)(C(C)C)C1CCCC1 37755280 167579760 /nfs/dbraw/zinc/57/97/60/167579760.db2.gz ONPUSVTZMGTUND-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@]1(C)Cc2ccccc2N1 37631364 167581104 /nfs/dbraw/zinc/58/11/04/167581104.db2.gz NKRPBPVRUSKNSM-NSHDSACASA-N 0 0 161.248 2.823 10 0 AFAERN CC[C@@]1(C)CCSC1=S 29571106 167582640 /nfs/dbraw/zinc/58/26/40/167582640.db2.gz ZRKIJVOOCFDZOQ-ZETCQYMHSA-N 0 0 160.307 2.867 10 0 AFAERN CC[C@@]1(c2ccccc2)CCC(=O)O1 5954863 167583308 /nfs/dbraw/zinc/58/33/08/167583308.db2.gz WXXZXKBYBHWQHW-LBPRGKRZSA-N 0 0 190.242 2.629 10 0 AFAERN CC[C@H](C)/C=C\CC(C)=O 39068997 167593022 /nfs/dbraw/zinc/59/30/22/167593022.db2.gz CKYMNRBISSRKLV-SLGIHZDVSA-N 0 0 140.226 2.568 10 0 AFAERN CC[C@H](C)C(=O)N1CCCC12CCC2 335815810 167593123 /nfs/dbraw/zinc/59/31/23/167593123.db2.gz NMDWLOPCXMXSAI-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@H](C)C(=O)CC(C)C 39249688 167594500 /nfs/dbraw/zinc/59/45/00/167594500.db2.gz AHXADOAHIKYQRT-QMMMGPOBSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@H](C)CC(=O)N1CCCC1(C)C 336366803 167597513 /nfs/dbraw/zinc/59/75/13/167597513.db2.gz KUBOJPSMKOJNEM-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H](C)CC[C@H](O)C(C)C 50428124 167600538 /nfs/dbraw/zinc/60/05/38/167600538.db2.gz MSDBCXHVDKLCCF-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)COc1ccc(N)c(F)c1 50423308 167600842 /nfs/dbraw/zinc/60/08/42/167600842.db2.gz XBBXTBLHLFHNPL-QMMMGPOBSA-N 0 0 197.253 2.833 10 0 AFAERN CC[C@H](C)COc1ccc(F)cc1N 52065117 167600904 /nfs/dbraw/zinc/60/09/04/167600904.db2.gz LTZHUFUGNYKHGC-QMMMGPOBSA-N 0 0 197.253 2.833 10 0 AFAERN CC[C@H](C)CNc1ncccc1F 54700956 167601027 /nfs/dbraw/zinc/60/10/27/167601027.db2.gz ASLNIKKWAHFMAP-QMMMGPOBSA-N 0 0 182.242 2.679 10 0 AFAERN CC[C@H](C)CNc1cc(N)cc(F)c1 54466928 167601075 /nfs/dbraw/zinc/60/10/75/167601075.db2.gz IJQPTQCADMZIEV-QMMMGPOBSA-N 0 0 196.269 2.866 10 0 AFAERN CC[C@H](C)C[C@@H](C)C(C)=O 50425972 167601229 /nfs/dbraw/zinc/60/12/29/167601229.db2.gz OMHNBLSGUXNATQ-JGVFFNPUSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@H](C)CNc1cccc(N)c1 54466700 167601483 /nfs/dbraw/zinc/60/14/83/167601483.db2.gz IBBAVVAYYRNFLH-VIFPVBQESA-N 0 0 178.279 2.727 10 0 AFAERN CC[C@H](C)COC(=O)C=C(C)C 5924776 167601783 /nfs/dbraw/zinc/60/17/83/167601783.db2.gz CEVOEEDUEYZGMY-VIFPVBQESA-N 0 0 170.252 2.542 10 0 endogenous,in-man AFAERN CC[C@H](C)CSc1ccc(N)cn1 50425038 167601910 /nfs/dbraw/zinc/60/19/10/167601910.db2.gz NELPTXVGSNQGJY-QMMMGPOBSA-N 0 0 196.319 2.802 10 0 AFAERN CC[C@H](C)COc1ccc(N)cc1F 50423266 167602051 /nfs/dbraw/zinc/60/20/51/167602051.db2.gz AHZIDHSWRABVEY-QMMMGPOBSA-N 0 0 197.253 2.833 10 0 AFAERN CC[C@H](C)CNc1nccnc1Cl 54490403 167602200 /nfs/dbraw/zinc/60/22/00/167602200.db2.gz OFWKQJQUECWGSE-ZETCQYMHSA-N 0 0 199.685 2.588 10 0 AFAERN CC[C@H](C)CNc1cccc(F)n1 54490391 167603026 /nfs/dbraw/zinc/60/30/26/167603026.db2.gz AUJULFRJAJIHER-QMMMGPOBSA-N 0 0 182.242 2.679 10 0 AFAERN CC[C@H](C)Cc1nc(C)c(C)nc1C 32166229 167604142 /nfs/dbraw/zinc/60/41/42/167604142.db2.gz HBNTYRSZFUEIEX-QMMMGPOBSA-N 0 0 192.306 2.990 10 0 AFAERN CC[C@H](C)C[C@H]1CCC[C@@H]1O 50428099 167604924 /nfs/dbraw/zinc/60/49/24/167604924.db2.gz QJXIKCPFRSCCEF-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)C[C@H](C)C(C)=O 50425976 167605007 /nfs/dbraw/zinc/60/50/07/167605007.db2.gz OMHNBLSGUXNATQ-YUMQZZPRSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@H](C)N(C)c1ccc(C)cc1N 37109449 167606299 /nfs/dbraw/zinc/60/62/99/167606299.db2.gz DJRIFCKPPDFQQX-JTQLQIEISA-N 0 0 192.306 2.812 10 0 AFAERN CC[C@H](C)N(C)c1cc(N)cc(F)c1 37667945 167606883 /nfs/dbraw/zinc/60/68/83/167606883.db2.gz FJUJBAVEXRZOIT-QMMMGPOBSA-N 0 0 196.269 2.643 10 0 AFAERN CC[C@H](C)Nc1ccc(C)cc1N 37401210 167621120 /nfs/dbraw/zinc/62/11/20/167621120.db2.gz OTZVQCQTXLCKCM-VIFPVBQESA-N 0 0 178.279 2.788 10 0 AFAERN CC[C@H](C)Nc1ccc(N)cc1C 34978348 167621370 /nfs/dbraw/zinc/62/13/70/167621370.db2.gz WECQLZMVKDHYIM-VIFPVBQESA-N 0 0 178.279 2.788 10 0 AFAERN CC[C@H](C)Nc1cnn(C(C)C)c1 61682359 167621516 /nfs/dbraw/zinc/62/15/16/167621516.db2.gz XXXQFXUSEGSARG-VIFPVBQESA-N 0 0 181.283 2.674 10 0 AFAERN CC[C@H](C)Nc1ccccc1N(C)C 37086164 167621527 /nfs/dbraw/zinc/62/15/27/167621527.db2.gz MWGRSIPPYPCKQY-JTQLQIEISA-N 0 0 192.306 2.963 10 0 AFAERN CC[C@H](C)OCc1cccc(N)c1C 48264002 167621629 /nfs/dbraw/zinc/62/16/29/167621629.db2.gz MLUQNWKHUDVMTB-VIFPVBQESA-N 0 0 193.290 2.892 10 0 AFAERN CC[C@H](C)OC[C@@H](O)c1ccccc1 44236696 167622058 /nfs/dbraw/zinc/62/20/58/167622058.db2.gz XHBQPDDNJWHZJM-CMPLNLGQSA-N 0 0 194.274 2.535 10 0 AFAERN CC[C@H](C)SCCCCCO 51020529 167622821 /nfs/dbraw/zinc/62/28/21/167622821.db2.gz ZYAZYVVBEXUSRN-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN CC[C@H](C)Oc1cc(N)ccc1C 35678127 167623258 /nfs/dbraw/zinc/62/32/58/167623258.db2.gz AMUVOPQHOGLAFG-VIFPVBQESA-N 0 0 179.263 2.755 10 0 AFAERN CC[C@H](C)Sc1ncc(N)cc1C 52813801 167623385 /nfs/dbraw/zinc/62/33/85/167623385.db2.gz AFTWYMPTRMLVMC-QMMMGPOBSA-N 0 0 196.319 2.863 10 0 AFAERN CC[C@H](C)Sc1cccc(OC)n1 39117118 167623710 /nfs/dbraw/zinc/62/37/10/167623710.db2.gz VZZMEXGGNQWYDZ-QMMMGPOBSA-N 0 0 197.303 2.981 10 0 AFAERN CC[C@H](C)[C@@H](C)Nc1c(C)n[nH]c1C 36734463 167626938 /nfs/dbraw/zinc/62/69/38/167626938.db2.gz DAXZPSGUIGJAMQ-JGVFFNPUSA-N 0 0 195.310 2.873 10 0 AFAERN CC[C@H](C)[C@@H]1CCCC(=O)C1 39427128 167627476 /nfs/dbraw/zinc/62/74/76/167627476.db2.gz KRFDJNKVXNRNKR-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](C)[C@@H](O)C1=CCCC1 50329253 167629786 /nfs/dbraw/zinc/62/97/86/167629786.db2.gz SHJXVKZRLTUYKB-WCBMZHEXSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H](C)[C@H](O)c1ccc(F)cc1 40243664 167630487 /nfs/dbraw/zinc/63/04/87/167630487.db2.gz MIFBTQVTWNZOOI-KWQFWETISA-N 0 0 182.238 2.905 10 0 AFAERN CC[C@H](C)[C@H](CO)Nc1ccccc1 41050491 167630839 /nfs/dbraw/zinc/63/08/39/167630839.db2.gz GAWJUIQOJZQHRA-JQWIXIFHSA-N 0 0 193.290 2.506 10 0 AFAERN CC[C@H](C)[C@H](C)Nc1cccnc1 20086132 167630899 /nfs/dbraw/zinc/63/08/99/167630899.db2.gz CTLKTEWYTVGRMB-UWVGGRQHSA-N 0 0 178.279 2.928 10 0 AFAERN CC[C@H](C)[C@H](C)Nc1ncccc1N 49092466 167631488 /nfs/dbraw/zinc/63/14/88/167631488.db2.gz HUCJIUAWBSCJQE-IUCAKERBSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@H](C)c1[nH]nc(N)c1CC(C)C 43375394 167633684 /nfs/dbraw/zinc/63/36/84/167633684.db2.gz ZASDGYHWSWVISG-QMMMGPOBSA-N 0 0 195.310 2.704 10 0 AFAERN CC[C@H](C)c1cc(O)cc(O)c1 39292195 167634163 /nfs/dbraw/zinc/63/41/63/167634163.db2.gz JBYQSYLXSFHOMT-ZETCQYMHSA-N 0 0 166.220 2.611 10 0 AFAERN CC[C@H](C)c1coc(C=O)c1 39062183 167634811 /nfs/dbraw/zinc/63/48/11/167634811.db2.gz RLOGANLHEDRMSE-ZETCQYMHSA-N 0 0 152.193 2.606 10 0 AFAERN Cc1ccc(CC(C)C)c(N)c1 134872339 343950280 /nfs/dbraw/zinc/95/02/80/343950280.db2.gz JJUDBSHRABNFTQ-UHFFFAOYSA-N 0 0 163.264 2.776 10 0 AFAERN CC[C@H](C)[C@](C)(O)c1ccccc1 37745635 167634890 /nfs/dbraw/zinc/63/48/90/167634890.db2.gz JJYZAAGVSUZICR-JQWIXIFHSA-N 0 0 178.275 2.940 10 0 AFAERN CC[C@H](C)c1nc2ccc(N)cc2o1 26516418 167635578 /nfs/dbraw/zinc/63/55/78/167635578.db2.gz VLAVWKHDHVNFKV-ZETCQYMHSA-N 0 0 190.246 2.924 10 0 AFAERN CC[C@H](C)n1ccc2c1CCCC2=O 41705048 167635686 /nfs/dbraw/zinc/63/56/86/167635686.db2.gz LUTJDBHEVHOEHM-VIFPVBQESA-N 0 0 191.274 2.978 10 0 AFAERN CC[C@H](C)n1nc(C(C)(C)C)cc1N 40931481 167636437 /nfs/dbraw/zinc/63/64/37/167636437.db2.gz OLHZXGPXVSHTDJ-QMMMGPOBSA-N 0 0 195.310 2.734 10 0 AFAERN CC[C@H](C)c1nccnc1Cl 32187943 167637114 /nfs/dbraw/zinc/63/71/14/167637114.db2.gz RUOSCDIBHOBYED-LURJTMIESA-N 0 0 170.643 2.644 10 0 AFAERN CC[C@H](C)c1noc(C(C)(C)C)n1 307300250 167637725 /nfs/dbraw/zinc/63/77/25/167637725.db2.gz VXCIAFJDUUXOJT-ZETCQYMHSA-N 0 0 182.267 2.881 10 0 AFAERN CC[C@H](CC(C)C)C(C)=O 38004179 167638831 /nfs/dbraw/zinc/63/88/31/167638831.db2.gz JKEPJRKBIXEGNA-SECBINFHSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@H](CCO)c1cccs1 41168334 167642991 /nfs/dbraw/zinc/64/29/91/167642991.db2.gz MVIICRTTYCQKHQ-MRVPVSSYSA-N 0 0 170.277 2.624 10 0 AFAERN CC[C@H](CC=C(C)C)[C@H](C)O 43656888 167643255 /nfs/dbraw/zinc/64/32/55/167643255.db2.gz MEKHCKYSDQWCPS-VHSXEESVSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@H](CCC(C)C)[C@H](C)O 43656931 167643420 /nfs/dbraw/zinc/64/34/20/167643420.db2.gz NTTSQOLDGRPMPG-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](CO)c1ccc(C)c(C)c1 41200520 167646676 /nfs/dbraw/zinc/64/66/76/167646676.db2.gz SGAHGGMCADYAFP-LLVKDONJSA-N 0 0 178.275 2.789 10 0 AFAERN CC[C@H](CO)c1ccc(Cl)cc1 41202900 167646788 /nfs/dbraw/zinc/64/67/88/167646788.db2.gz XTLFEEWCIHGIBO-MRVPVSSYSA-N 0 0 184.666 2.826 10 0 AFAERN CC[C@H](CO)Nc1ccc(Cl)cc1 38119632 167647714 /nfs/dbraw/zinc/64/77/14/167647714.db2.gz ZQKFJZUKWZLRSZ-SECBINFHSA-N 0 0 199.681 2.523 10 0 AFAERN CC[C@H](Cc1ccccc1F)[C@@H](C)O 43656949 167650594 /nfs/dbraw/zinc/65/05/94/167650594.db2.gz ITSLZZOTICOUOB-NXEZZACHSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@H](Cc1cccs1)C(C)=O 38004147 167650727 /nfs/dbraw/zinc/65/07/27/167650727.db2.gz TVONZBXDYKTJGU-SECBINFHSA-N 0 0 182.288 2.906 10 0 AFAERN CC[C@H](Nc1ccc(C)nn1)C(C)C 42590813 167664629 /nfs/dbraw/zinc/66/46/29/167664629.db2.gz PESAFCYLPWJBED-JTQLQIEISA-N 0 0 193.294 2.632 10 0 AFAERN CC[C@H](Nc1cccnc1)C(C)C 37187131 167664719 /nfs/dbraw/zinc/66/47/19/167664719.db2.gz OAXGCVZVYPACRT-NSHDSACASA-N 0 0 178.279 2.928 10 0 AFAERN CC[C@H](O)CCC=C(C)C 49852216 167664876 /nfs/dbraw/zinc/66/48/76/167664876.db2.gz PTWLYEZZEBUHOK-VIFPVBQESA-N 0 0 142.242 2.504 10 0 AFAERN CC[C@H](Nc1c(C)n[nH]c1C)C(C)C 37261633 167665004 /nfs/dbraw/zinc/66/50/04/167665004.db2.gz QXUGVOWXXBYIKH-JTQLQIEISA-N 0 0 195.310 2.873 10 0 AFAERN CC[C@H](O)CC1CCCCC1 38973055 167665866 /nfs/dbraw/zinc/66/58/66/167665866.db2.gz WFEFGMXGMUYMSH-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@H](O)CCc1ccc(F)cc1 43657789 167665874 /nfs/dbraw/zinc/66/58/74/167665874.db2.gz VLLYFZAFJQTCSU-NSHDSACASA-N 0 0 182.238 2.529 10 0 AFAERN CC[C@H](O)CCCOCCC(C)C 43657842 167665948 /nfs/dbraw/zinc/66/59/48/167665948.db2.gz RLTYKYLDGHADRH-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@H](O)CCc1ccccc1C 43657797 167666027 /nfs/dbraw/zinc/66/60/27/167666027.db2.gz BVUFCXYKEJAMEM-LBPRGKRZSA-N 0 0 178.275 2.699 10 0 AFAERN CC[C@H](O)C1=CCCCCC1 50329368 167666292 /nfs/dbraw/zinc/66/62/92/167666292.db2.gz IITRJMJFNGYCDS-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](O)CCC1CCCC1 44469813 167666299 /nfs/dbraw/zinc/66/62/99/167666299.db2.gz WPTHHNYYOGLGLQ-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@H](Nc1nccs1)C(C)C 42591163 167666374 /nfs/dbraw/zinc/66/63/74/167666374.db2.gz HMKXZOGWTWMDNL-QMMMGPOBSA-N 0 0 184.308 2.990 10 0 AFAERN CC[C@H](Nc1cn[nH]c1)c1ccco1 54084011 167666421 /nfs/dbraw/zinc/66/64/21/167666421.db2.gz OGPREPPOAUMONO-VIFPVBQESA-N 0 0 191.234 2.566 10 0 AFAERN CC[C@H](O)CNc1cccc(Cl)c1 37688532 167667083 /nfs/dbraw/zinc/66/70/83/167667083.db2.gz JNYIPJGZZMNPOP-JTQLQIEISA-N 0 0 199.681 2.523 10 0 AFAERN CC[C@H](O)c1ccc2ccccc2n1 63075741 167669275 /nfs/dbraw/zinc/66/92/75/167669275.db2.gz NZUSIRTZUGQDDG-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN CC[C@H](O)c1ccc(OC(C)C)cc1 35628299 167669324 /nfs/dbraw/zinc/66/93/24/167669324.db2.gz JTOPFGOZJRKKEV-LBPRGKRZSA-N 0 0 194.274 2.917 10 0 AFAERN CC[C@H](O)[C@@H](C)Cc1ccccc1 39651318 167670067 /nfs/dbraw/zinc/67/00/67/167670067.db2.gz NDCBWQCTQSTKJY-JQWIXIFHSA-N 0 0 178.275 2.636 10 0 AFAERN CC[C@H](O)Sc1cccc(C)c1 91363897 167670329 /nfs/dbraw/zinc/67/03/29/167670329.db2.gz PMFVKKAIZKYBFK-SNVBAGLBSA-N 0 0 182.288 2.816 10 0 AFAERN CC[C@H](O)[C@H](C)Oc1cccc(C)c1 44211726 167670867 /nfs/dbraw/zinc/67/08/67/167670867.db2.gz YOXBYSJTRXDIOQ-JQWIXIFHSA-N 0 0 194.274 2.533 10 0 AFAERN CC[C@H](O)c1cc(C)c(OC)cc1C 36156962 167671313 /nfs/dbraw/zinc/67/13/13/167671313.db2.gz WJJSZWZCFSETOK-NSHDSACASA-N 0 0 194.274 2.755 10 0 AFAERN CC[C@H](O)c1cc(C)sc1C 40257100 167671438 /nfs/dbraw/zinc/67/14/38/167671438.db2.gz UNXCRKHIYJZHIH-VIFPVBQESA-N 0 0 170.277 2.808 10 0 AFAERN CC[C@H](O)[C@@H](C)Oc1cccc(C)c1 44211720 167671447 /nfs/dbraw/zinc/67/14/47/167671447.db2.gz YOXBYSJTRXDIOQ-PWSUYJOCSA-N 0 0 194.274 2.533 10 0 AFAERN CC[C@H](OC)c1ccc(OC)cc1 3033133 167672524 /nfs/dbraw/zinc/67/25/24/167672524.db2.gz LRPQHVAGARYGFO-NSHDSACASA-N 0 0 180.247 2.793 10 0 AFAERN CC[C@H]1CC(=O)c2ccccc21 34617840 167676964 /nfs/dbraw/zinc/67/69/64/167676964.db2.gz KNUNPFLGVSVQQF-QMMMGPOBSA-N 0 0 160.216 2.767 10 0 AFAERN CC[C@H]1CCCC[C@@H]1OC(C)=O 39089737 167678945 /nfs/dbraw/zinc/67/89/45/167678945.db2.gz FTTKPCQDOGXTPC-UWVGGRQHSA-N 0 0 170.252 2.518 10 0 AFAERN CC[C@H]1CCCN1c1cccc(N)c1 37913056 167680276 /nfs/dbraw/zinc/68/02/76/167680276.db2.gz VDJTZLMTKQQNCU-NSHDSACASA-N 0 0 190.290 2.648 10 0 AFAERN CC[C@H]1CCN1C(=O)C1CCCCC1 335045873 167684687 /nfs/dbraw/zinc/68/46/87/167684687.db2.gz MWWSGLZWVAPYRI-NSHDSACASA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@H]1CCN1C(=O)C1(CC)CCC1 336277122 167686042 /nfs/dbraw/zinc/68/60/42/167686042.db2.gz AXRQVTXOHCCCCP-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@H]1CCc2ccccc2[C@@H]1O 43659449 167689329 /nfs/dbraw/zinc/68/93/29/167689329.db2.gz GJKPWJBCWHMXCY-JOYOIKCWSA-N 0 0 176.259 2.692 10 0 AFAERN CC[C@H]1CN(C)c2ccccc21 39081543 167692948 /nfs/dbraw/zinc/69/29/48/167692948.db2.gz HFVFAXGTMHTUQQ-VIFPVBQESA-N 0 0 161.248 2.630 10 0 AFAERN CC[C@H]1CNc2ccc(C)cc2N1 76887678 167696401 /nfs/dbraw/zinc/69/64/01/167696401.db2.gz BAYGOXGUEOKZBS-VIFPVBQESA-N 0 0 176.263 2.611 10 0 AFAERN CC[C@H]1CNc2c(C)cccc2C1 11633230 167696485 /nfs/dbraw/zinc/69/64/85/167696485.db2.gz GHZATUZKVORYKC-SNVBAGLBSA-N 0 0 175.275 2.989 10 0 AFAERN CC[C@H]1COc2c(F)cc(F)cc2N1 62522499 167696655 /nfs/dbraw/zinc/69/66/55/167696655.db2.gz SHLRJRJPFXBEIA-ZETCQYMHSA-N 0 0 199.200 2.548 10 0 AFAERN CC[C@H]1C[C@H](C)CN1C(=O)CC(C)C 334325230 167698458 /nfs/dbraw/zinc/69/84/58/167698458.db2.gz AQKOTIHJOHFXAL-QWRGUYRKSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H]1N=Nc2ccccc2N1 238278708 167698743 /nfs/dbraw/zinc/69/87/43/167698743.db2.gz OZKNQDSEEUPZOA-SECBINFHSA-N 0 0 161.208 2.932 10 0 AFAERN CC[C@](C)(O)Cc1ccc(C)cc1 37463561 167704705 /nfs/dbraw/zinc/70/47/05/167704705.db2.gz PGWJWAZSANOCJW-LBPRGKRZSA-N 0 0 178.275 2.699 10 0 AFAERN CC[C@](C)(O)Cc1cccc(C)c1 37463577 167705290 /nfs/dbraw/zinc/70/52/90/167705290.db2.gz YEMSGBAGEZNIBF-LBPRGKRZSA-N 0 0 178.275 2.699 10 0 AFAERN CC[C@](C)(O)c1ccccc1Cl 37379736 167705489 /nfs/dbraw/zinc/70/54/89/167705489.db2.gz FYWKDPUUDFTGPJ-JTQLQIEISA-N 0 0 184.666 2.958 10 0 AFAERN CC[C@](O)(C(C)C)C1CCCC1 37755279 167707699 /nfs/dbraw/zinc/70/76/99/167707699.db2.gz ONPUSVTZMGTUND-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@]1(C)CNc2ccccc2N1 76861090 167710719 /nfs/dbraw/zinc/71/07/19/167710719.db2.gz FAEXQTHRNBPORM-LLVKDONJSA-N 0 0 176.263 2.693 10 0 AFAERN CC[C@]1(C)CCSC1=S 29571109 167711092 /nfs/dbraw/zinc/71/10/92/167711092.db2.gz ZRKIJVOOCFDZOQ-SSDOTTSWSA-N 0 0 160.307 2.867 10 0 AFAERN CC[C@]1(C)CSC(=S)C1 26156796 167711528 /nfs/dbraw/zinc/71/15/28/167711528.db2.gz QMAHOVSHIKAMKG-ZETCQYMHSA-N 0 0 160.307 2.867 10 0 AFAERN CC[C@]1(C)CNc2ccc(F)cc2N1 76861297 167711884 /nfs/dbraw/zinc/71/18/84/167711884.db2.gz MTUSFXCMABKGHT-LLVKDONJSA-N 0 0 194.253 2.832 10 0 AFAERN CCc1c(CC2CCCC2)noc1N 37865345 167720421 /nfs/dbraw/zinc/72/04/21/167720421.db2.gz WLWOWLKJXPAJTH-UHFFFAOYSA-N 0 0 194.278 2.552 10 0 AFAERN CCc1c(C=O)cccc1OC1CC1 95712537 167720673 /nfs/dbraw/zinc/72/06/73/167720673.db2.gz XDFNRBJWIHMKKS-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN CCc1c(O)c(=S)ccn1CC 66102376 167720858 /nfs/dbraw/zinc/72/08/58/167720858.db2.gz HMXGIMVMTIFQHT-UHFFFAOYSA-N 0 0 183.276 2.505 10 0 AFAERN CCc1c(NC)cccc1OC1CC1 95724631 167720886 /nfs/dbraw/zinc/72/08/86/167720886.db2.gz CMWATJLTGUZUTR-UHFFFAOYSA-N 0 0 191.274 2.832 10 0 AFAERN CCc1c(O)cccc1SC 95711057 167721099 /nfs/dbraw/zinc/72/10/99/167721099.db2.gz ZQVRMAWAZUOSAT-UHFFFAOYSA-N 0 0 168.261 2.677 10 0 AFAERN CCc1c(OC2CC2)ccnc1Cl 95726769 167721616 /nfs/dbraw/zinc/72/16/16/167721616.db2.gz LJYSSRKMUCILRD-UHFFFAOYSA-N 0 0 197.665 2.839 10 0 AFAERN CCc1cc(-c2nccs2)ccn1 15042329 167722622 /nfs/dbraw/zinc/72/26/22/167722622.db2.gz ZIABNWIKZGKDLV-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN CCc1cc(C(C)C)ccc1CO 39120391 167724350 /nfs/dbraw/zinc/72/43/50/167724350.db2.gz NWVYYVDHCHVAIZ-UHFFFAOYSA-N 0 0 178.275 2.865 10 0 AFAERN CCc1cc(Cl)c(N(C)C)cc1N 83230482 167724943 /nfs/dbraw/zinc/72/49/43/167724943.db2.gz HNLIFVPNRPPUIB-UHFFFAOYSA-N 0 0 198.697 2.551 10 0 AFAERN CCc1cc(C)ccc1C(C)=O 39071323 167725143 /nfs/dbraw/zinc/72/51/43/167725143.db2.gz IUFUODFAIFHGCU-UHFFFAOYSA-N 0 0 162.232 2.760 10 0 AFAERN CCc1cc(C(C)=O)c2ocnc2c1 41652735 167725683 /nfs/dbraw/zinc/72/56/83/167725683.db2.gz UOPVGIZJRGJMOZ-UHFFFAOYSA-N 0 0 189.214 2.593 10 0 AFAERN CCc1cc(CC2CC2)ccc1O 95711023 167725787 /nfs/dbraw/zinc/72/57/87/167725787.db2.gz BKHATKGMYZDZAE-UHFFFAOYSA-N 0 0 176.259 2.907 10 0 AFAERN CCc1cc(C=O)ccc1OC1CC1 95720151 167726063 /nfs/dbraw/zinc/72/60/63/167726063.db2.gz DIVQQMZUPBCQBX-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN CCc1cc2c(o1)CCCC2 104838105 167730305 /nfs/dbraw/zinc/73/03/05/167730305.db2.gz MLEPESMEFMGJJA-UHFFFAOYSA-N 0 0 150.221 2.721 10 0 AFAERN CCc1cc(OC2CC2)c(Cl)cn1 95720577 167730489 /nfs/dbraw/zinc/73/04/89/167730489.db2.gz HBHKOVKSPXMYDK-UHFFFAOYSA-N 0 0 197.665 2.839 10 0 AFAERN CCc1cc2ccc(O)cc2o1 39136517 167730502 /nfs/dbraw/zinc/73/05/02/167730502.db2.gz PNHWCHKIPSCPBQ-UHFFFAOYSA-N 0 0 162.188 2.701 10 0 AFAERN CCc1cc(OC2CC2)cnc1Cl 95721490 167730581 /nfs/dbraw/zinc/73/05/81/167730581.db2.gz KTQCAGDUNVDASA-UHFFFAOYSA-N 0 0 197.665 2.839 10 0 AFAERN CCc1ccc(-c2ccc(=O)[nH]c2)cc1 44063003 167730747 /nfs/dbraw/zinc/73/07/47/167730747.db2.gz JQHBQHQHZATJAQ-UHFFFAOYSA-N 0 0 199.253 2.604 10 0 AFAERN CCc1ccc(-c2ccncc2N)cc1 82384370 167730886 /nfs/dbraw/zinc/73/08/86/167730886.db2.gz OQTIUBKNAUWNOA-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CCc1cc(OC2CC2)ccc1OC 95721628 167730890 /nfs/dbraw/zinc/73/08/90/167730890.db2.gz QEGCXDIPEZIWFM-UHFFFAOYSA-N 0 0 192.258 2.799 10 0 AFAERN CCc1cc2ccccc2cn1 34200352 167731052 /nfs/dbraw/zinc/73/10/52/167731052.db2.gz CWXOIKGMLUJEAN-UHFFFAOYSA-N 0 0 157.216 2.797 10 0 AFAERN CCc1ccc(-c2cccc(=O)[nH]2)cc1 44062949 167731097 /nfs/dbraw/zinc/73/10/97/167731097.db2.gz UJGUHMBPWDTVRD-UHFFFAOYSA-N 0 0 199.253 2.604 10 0 AFAERN CCc1cc(OC2CC2)cc(Cl)n1 95727662 167731255 /nfs/dbraw/zinc/73/12/55/167731255.db2.gz QQUHMWRRNQWTPK-UHFFFAOYSA-N 0 0 197.665 2.839 10 0 AFAERN CCc1ccc(C(=O)[C@H]2C[C@H]2C)o1 51726205 167731617 /nfs/dbraw/zinc/73/16/17/167731617.db2.gz HXFSATPSBPDGIN-APPZFPTMSA-N 0 0 178.231 2.681 10 0 AFAERN CCc1ccc(C(=O)C2CCC2)o1 51726186 167732320 /nfs/dbraw/zinc/73/23/20/167732320.db2.gz QWROIIVLRUAPAW-UHFFFAOYSA-N 0 0 178.231 2.825 10 0 AFAERN CCc1ccc(/C=C/[N+](=O)[O-])s1 51716977 167732481 /nfs/dbraw/zinc/73/24/81/167732481.db2.gz ZQGQCNCCEGTEEF-AATRIKPKSA-N 0 0 183.232 2.558 10 0 AFAERN CCc1ccc(OCC2CC2)c(O)c1 95711361 167740050 /nfs/dbraw/zinc/74/00/50/167740050.db2.gz IALHLFDOTBOSPD-UHFFFAOYSA-N 0 0 192.258 2.743 10 0 AFAERN CCc1ccc(SC)c(O)c1 95711257 167740103 /nfs/dbraw/zinc/74/01/03/167740103.db2.gz CZRRCHWLKDOPPD-UHFFFAOYSA-N 0 0 168.261 2.677 10 0 AFAERN CCc1ccc([C@@H](CC)CO)cc1 5956433 167740284 /nfs/dbraw/zinc/74/02/84/167740284.db2.gz ALCFKGDNZCFGLU-NSHDSACASA-N 0 0 178.275 2.735 10 0 AFAERN CCc1ccc([C@@H](O)C2CC2)cc1 32006892 167740706 /nfs/dbraw/zinc/74/07/06/167740706.db2.gz QAJOIUSWRDELCI-GFCCVEGCSA-N 0 0 176.259 2.692 10 0 AFAERN CCc1ccc(OC2CC2)c(NC)c1 95721984 167740919 /nfs/dbraw/zinc/74/09/19/167740919.db2.gz XGGGYRJHJMWYOP-UHFFFAOYSA-N 0 0 191.274 2.832 10 0 AFAERN CCc1ccc(OC2CC2)cc1 95724975 167741058 /nfs/dbraw/zinc/74/10/58/167741058.db2.gz HIWKUXXCYHOQKG-UHFFFAOYSA-N 0 0 162.232 2.790 10 0 AFAERN CCc1ccc([C@H](O)[C@@H]2C[C@@H]2C)s1 40242782 167742267 /nfs/dbraw/zinc/74/22/67/167742267.db2.gz HANVXOASNDVSQB-JVUFJMBOSA-N 0 0 196.315 3.000 10 0 AFAERN CCc1ccc([C@H](O)C(C)C)s1 40242626 167742389 /nfs/dbraw/zinc/74/23/89/167742389.db2.gz DGRKTHHBPHAFRI-SNVBAGLBSA-N 0 0 184.304 3.000 10 0 AFAERN CCc1ccc([C@@H]2C[C@@H]2C(C)=O)cc1 20392046 167742736 /nfs/dbraw/zinc/74/27/36/167742736.db2.gz PPEQJLFPCXOXSE-OLZOCXBDSA-N 0 0 188.270 2.942 10 0 AFAERN CCc1ccc([C@H](O)CC)s1 40242636 167742884 /nfs/dbraw/zinc/74/28/84/167742884.db2.gz HODFDZPDMHZBDO-MRVPVSSYSA-N 0 0 170.277 2.754 10 0 AFAERN CCc1ccc2c(c1)C(=O)[C@H](C)C2 41198851 167743448 /nfs/dbraw/zinc/74/34/48/167743448.db2.gz JJARVPPFJKHTKJ-MRVPVSSYSA-N 0 0 174.243 2.624 10 0 AFAERN CCc1ccc2[nH]c(C=O)cc2c1 82399721 167743477 /nfs/dbraw/zinc/74/34/77/167743477.db2.gz UTEKEXQGHOTDFI-UHFFFAOYSA-N 0 0 173.215 2.543 10 0 AFAERN CCc1ccc2c(c1)C(=O)C[C@@H](C)N2 71481892 167743601 /nfs/dbraw/zinc/74/36/01/167743601.db2.gz KBAOYQSLPHIQNR-MRVPVSSYSA-N 0 0 189.258 2.636 10 0 AFAERN CCc1ccc2c(c1)N[C@@H](CC)CO2 62521146 167743612 /nfs/dbraw/zinc/74/36/12/167743612.db2.gz FLAKTKZCIMWLIY-JTQLQIEISA-N 0 0 191.274 2.832 10 0 AFAERN CCc1ccc2c(c1)[C@@H](C)CN2 19948086 167743833 /nfs/dbraw/zinc/74/38/33/167743833.db2.gz FZSYYLYZIMKEDU-QMMMGPOBSA-N 0 0 161.248 2.778 10 0 AFAERN CCc1ccc2c(c1)C(=O)CCCN2 82390851 167743869 /nfs/dbraw/zinc/74/38/69/167743869.db2.gz AONLQOUPHFTWIV-UHFFFAOYSA-N 0 0 189.258 2.637 10 0 AFAERN CCc1ccc([C@H](O)[C@H]2C[C@@H]2C)s1 40242784 167744004 /nfs/dbraw/zinc/74/40/04/167744004.db2.gz HANVXOASNDVSQB-OVYXKVPISA-N 0 0 196.315 3.000 10 0 AFAERN CCc1ccc2c(c1)[C@@H](CC)C(=O)N2 41204757 167744143 /nfs/dbraw/zinc/74/41/43/167744143.db2.gz FFLIHWWYMAUNAA-SECBINFHSA-N 0 0 189.258 2.695 10 0 AFAERN CCc1ccc([C@H]2CCC[C@H]2O)cc1 15440841 167744431 /nfs/dbraw/zinc/74/44/31/167744431.db2.gz BIGRPCKFRKQVLO-CHWSQXEVSA-N 0 0 190.286 2.877 10 0 AFAERN CCc1ccc([C@H]2C[C@H]2C(C)=O)o1 51722162 167744651 /nfs/dbraw/zinc/74/46/51/167744651.db2.gz YOIRYYFEYNBBSH-UWVGGRQHSA-N 0 0 178.231 2.535 10 0 AFAERN CCc1ccc2c(c1)NCCC2 57935429 167744702 /nfs/dbraw/zinc/74/47/02/167744702.db2.gz BCSQUVLIGHGKAQ-UHFFFAOYSA-N 0 0 161.248 2.607 10 0 AFAERN CCc1ccc2c(c1)NCC[C@@H](C)O2 62521361 167744745 /nfs/dbraw/zinc/74/47/45/167744745.db2.gz MIFRWFANXCEJRI-SECBINFHSA-N 0 0 191.274 2.832 10 0 AFAERN CCc1ccc2c(c1)N[C@H](CC)CO2 62521142 167744763 /nfs/dbraw/zinc/74/47/63/167744763.db2.gz FLAKTKZCIMWLIY-SNVBAGLBSA-N 0 0 191.274 2.832 10 0 AFAERN CCc1ccc([C@H]2C[C@@H]2C(C)=O)o1 51722157 167744962 /nfs/dbraw/zinc/74/49/62/167744962.db2.gz YOIRYYFEYNBBSH-ZJUUUORDSA-N 0 0 178.231 2.535 10 0 AFAERN CCc1ccc2c(c1)C[C@H](C)CN2 11633203 167744967 /nfs/dbraw/zinc/74/49/67/167744967.db2.gz MZYVYAVRKJDGJQ-VIFPVBQESA-N 0 0 175.275 2.853 10 0 AFAERN CCc1ccc([C@H]2CCC(=O)O2)cc1 49806597 167745180 /nfs/dbraw/zinc/74/51/80/167745180.db2.gz HGUVJZGSIKGZAY-LLVKDONJSA-N 0 0 190.242 2.627 10 0 AFAERN CCc1ccc2c(c1)NC(=O)CCC2 57936704 167745195 /nfs/dbraw/zinc/74/51/95/167745195.db2.gz WGBKKFIQWDVEMZ-UHFFFAOYSA-N 0 0 189.258 2.524 10 0 AFAERN CCc1ccc2[nH]nc(CC)c2c1 89195866 167745465 /nfs/dbraw/zinc/74/54/65/167745465.db2.gz AFDUXCUQJZXJKB-UHFFFAOYSA-N 0 0 174.247 2.688 10 0 AFAERN CCc1ccc2c(c1)CCC2 49778412 167745577 /nfs/dbraw/zinc/74/55/77/167745577.db2.gz IFKCGHPIWWIUOG-UHFFFAOYSA-N 0 0 146.233 2.738 10 0 AFAERN CCc1ccc2c(c1)CC[C@@H](C)N2 71479831 167745595 /nfs/dbraw/zinc/74/55/95/167745595.db2.gz MGKBQIMXJAUDQH-SECBINFHSA-N 0 0 175.275 2.996 10 0 AFAERN CCc1ccc2c(c1)C(=O)C1(CC1)C2 71489049 167745622 /nfs/dbraw/zinc/74/56/22/167745622.db2.gz ADAIEBGIEXZXIN-UHFFFAOYSA-N 0 0 186.254 2.768 10 0 AFAERN CCc1ccc2c(c1)NCCCC2 31889014 167745723 /nfs/dbraw/zinc/74/57/23/167745723.db2.gz JGGBTFQAVPKXHU-UHFFFAOYSA-N 0 0 175.275 2.997 10 0 AFAERN CCc1ccc2c(c1)NC[C@@H](CC)O2 58235188 167745796 /nfs/dbraw/zinc/74/57/96/167745796.db2.gz NVVVHGFZZWIKNA-SNVBAGLBSA-N 0 0 191.274 2.832 10 0 AFAERN CCc1ccc2c(c1)[C@@H](OC)CCN2 71480062 167746182 /nfs/dbraw/zinc/74/61/82/167746182.db2.gz AYRPOXZZSUEKGE-LBPRGKRZSA-N 0 0 191.274 2.752 10 0 AFAERN CCc1ccc2nc(C=O)ccc2c1 1526656 167747633 /nfs/dbraw/zinc/74/76/33/167747633.db2.gz CQPALZMPKHINPD-UHFFFAOYSA-N 0 0 185.226 2.610 10 0 AFAERN CCc1ccc2c(c1)[C@H](OC)CCN2 71480061 167747639 /nfs/dbraw/zinc/74/76/39/167747639.db2.gz AYRPOXZZSUEKGE-GFCCVEGCSA-N 0 0 191.274 2.752 10 0 AFAERN CCc1cccc(C(C)C=O)n1 255999448 167747672 /nfs/dbraw/zinc/74/76/72/167747672.db2.gz RLHUVBAGDULKQW-FPLPWBNLSA-N 0 0 163.220 2.563 10 0 AFAERN CCc1cccc(C(=O)C(C)C)c1O 41205946 167747816 /nfs/dbraw/zinc/74/78/16/167747816.db2.gz FCUWYEHJIWAOKH-UHFFFAOYSA-N 0 0 192.258 2.793 10 0 AFAERN CCc1ccc2c(c1)c(C=O)cn2C 82588132 167748130 /nfs/dbraw/zinc/74/81/30/167748130.db2.gz XQPSIYJBBJMDRF-UHFFFAOYSA-N 0 0 187.242 2.553 10 0 AFAERN CCc1ccc2occ(CCO)c2c1 57348758 167748149 /nfs/dbraw/zinc/74/81/49/167748149.db2.gz JUULEEZEZPPWFI-UHFFFAOYSA-N 0 0 190.242 2.530 10 0 AFAERN CCc1cccc2[nH]c(=S)[nH]c12 34725753 167748957 /nfs/dbraw/zinc/74/89/57/167748957.db2.gz COHVGXVSGOHFDC-UHFFFAOYSA-N 0 0 178.260 2.788 10 0 AFAERN CCc1cccc(CC)c1C=O 39416388 167748998 /nfs/dbraw/zinc/74/89/98/167748998.db2.gz PESVDKISSIUPTJ-UHFFFAOYSA-N 0 0 162.232 2.624 10 0 AFAERN CCc1cccc2c(C)c(C=O)[nH]c12 77588297 167749274 /nfs/dbraw/zinc/74/92/74/167749274.db2.gz VTCVYZKMUHGWFZ-UHFFFAOYSA-N 0 0 187.242 2.851 10 0 AFAERN CCc1cccc(OC2CC2)c1NC 95724301 167749349 /nfs/dbraw/zinc/74/93/49/167749349.db2.gz IRHAKQYBGBZDPO-UHFFFAOYSA-N 0 0 191.274 2.832 10 0 AFAERN CCc1cccc(F)c1OC1CC1 95723699 167749547 /nfs/dbraw/zinc/74/95/47/167749547.db2.gz ZESWXZVGHFLIIU-UHFFFAOYSA-N 0 0 180.222 2.929 10 0 AFAERN CCc1cccc(O)c1CC1CC1 95711369 167749807 /nfs/dbraw/zinc/74/98/07/167749807.db2.gz AEIBRJPQSXSVCU-UHFFFAOYSA-N 0 0 176.259 2.907 10 0 AFAERN CCc1cccc(OC2CC2)c1C=O 95720935 167750396 /nfs/dbraw/zinc/75/03/96/167750396.db2.gz YQNUZDOPLLNXEJ-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN CCc1ccccc1NC1CC1 76593985 167751680 /nfs/dbraw/zinc/75/16/80/167751680.db2.gz ULLHRDCPDGWXFS-UHFFFAOYSA-N 0 0 161.248 2.823 10 0 AFAERN CCc1cccc2c1O[C@@H](CC)CN2 62521493 167751908 /nfs/dbraw/zinc/75/19/08/167751908.db2.gz RRCMTXYZVHABIY-JTQLQIEISA-N 0 0 191.274 2.832 10 0 AFAERN CCc1cccc2c1NCC=C2 71479731 167752312 /nfs/dbraw/zinc/75/23/12/167752312.db2.gz PRMCNQCZPBUHCZ-UHFFFAOYSA-N 0 0 159.232 2.688 10 0 AFAERN CCc1cccc2nc(C)oc12 62498489 167752820 /nfs/dbraw/zinc/75/28/20/167752820.db2.gz QYNCWARAHTVZML-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCc1cccc2c1NC[C@H]2C 19948103 167753091 /nfs/dbraw/zinc/75/30/91/167753091.db2.gz AYHDPMPTJVENQT-MRVPVSSYSA-N 0 0 161.248 2.778 10 0 AFAERN CCc1cccc2c1NC[C@@H]2C 19948099 167753573 /nfs/dbraw/zinc/75/35/73/167753573.db2.gz AYHDPMPTJVENQT-QMMMGPOBSA-N 0 0 161.248 2.778 10 0 AFAERN CCc1cccc2c1OC[C@H](C)CN2 62521350 167753683 /nfs/dbraw/zinc/75/36/83/167753683.db2.gz VJFBAXWPIUQJQO-SECBINFHSA-N 0 0 191.274 2.689 10 0 AFAERN CCc1ccsc1C 33949621 167754937 /nfs/dbraw/zinc/75/49/37/167754937.db2.gz RBRAJDCWXUJHIY-UHFFFAOYSA-N 0 0 126.224 2.619 10 0 AFAERN CCc1ccccc1O[C@H](C)C(C)=O 35182456 167755693 /nfs/dbraw/zinc/75/56/93/167755693.db2.gz XWOAHKXTKBOPHR-SNVBAGLBSA-N 0 0 192.258 2.605 10 0 AFAERN CCc1ccccc1O[C@@H](C)C(C)=O 35182455 167755959 /nfs/dbraw/zinc/75/59/59/167755959.db2.gz XWOAHKXTKBOPHR-JTQLQIEISA-N 0 0 192.258 2.605 10 0 AFAERN CCc1ccccc1[C@@H]1CCC[C@@H]1O 15440827 167756091 /nfs/dbraw/zinc/75/60/91/167756091.db2.gz HPMFTPFDSMPWNL-STQMWFEESA-N 0 0 190.286 2.877 10 0 AFAERN CCc1ccnc2sccc12 39123469 167756279 /nfs/dbraw/zinc/75/62/79/167756279.db2.gz GLMJJOHXUWISKS-UHFFFAOYSA-N 0 0 163.245 2.859 10 0 AFAERN CCc1cnc(C2CC2)nc1Cl 96311384 167756936 /nfs/dbraw/zinc/75/69/36/167756936.db2.gz VLJNWUVXPYCVDN-UHFFFAOYSA-N 0 0 182.654 2.570 10 0 AFAERN CCc1cncc(OC2CC2)c1Cl 95723379 167756962 /nfs/dbraw/zinc/75/69/62/167756962.db2.gz XVXDUFIHNSIMBD-UHFFFAOYSA-N 0 0 197.665 2.839 10 0 AFAERN CCc1cnc(Cl)cc1OC1CC1 95721783 167758477 /nfs/dbraw/zinc/75/84/77/167758477.db2.gz LVVDULGUCXAUQF-UHFFFAOYSA-N 0 0 197.665 2.839 10 0 AFAERN CCc1csc(C(C)=O)c1 83268604 167760659 /nfs/dbraw/zinc/76/06/59/167760659.db2.gz DEMBGBUXLZEXKI-UHFFFAOYSA-N 0 0 154.234 2.513 10 0 AFAERN CCc1nc(C(C)C)cc(=S)[nH]1 45956432 167763150 /nfs/dbraw/zinc/76/31/50/167763150.db2.gz YSCCYOYXTMELHJ-UHFFFAOYSA-N 0 0 182.292 2.825 10 0 AFAERN CCc1nc(C(C)(C)OC)sc1C 306212661 167763722 /nfs/dbraw/zinc/76/37/22/167763722.db2.gz VXHQUPRMXYNWOX-UHFFFAOYSA-N 0 0 199.319 2.895 10 0 AFAERN CCc1nc(C)c(CC)c(=S)[nH]1 45956444 167764044 /nfs/dbraw/zinc/76/40/44/167764044.db2.gz HVEHVWZGEBAFRT-UHFFFAOYSA-N 0 0 182.292 2.572 10 0 AFAERN CCc1nc(C)nc(Cl)c1Cl 95761104 167766488 /nfs/dbraw/zinc/76/64/88/167766488.db2.gz VPDPZFGGJULEDY-UHFFFAOYSA-N 0 0 191.061 2.654 10 0 AFAERN CCc1nc(C2CCCC2)c(N)s1 50308276 167766753 /nfs/dbraw/zinc/76/67/53/167766753.db2.gz SMCLTPTWLOQBJX-UHFFFAOYSA-N 0 0 196.319 2.945 10 0 AFAERN CCc1nc(CC)c(CC)nc1CC 3649945 167767211 /nfs/dbraw/zinc/76/72/11/167767211.db2.gz OEDVLMOQTFMJCV-UHFFFAOYSA-N 0 0 192.306 2.726 10 0 AFAERN CCc1nc(C)cn2c(C)ccc12 39114532 167767381 /nfs/dbraw/zinc/76/73/81/167767381.db2.gz HPAWVJKVRRRELX-UHFFFAOYSA-N 0 0 174.247 2.514 10 0 AFAERN CCc1nc(Cl)c2sccc2n1 39185703 167771639 /nfs/dbraw/zinc/77/16/39/167771639.db2.gz MMMNKOCOCDWGIE-UHFFFAOYSA-N 0 0 198.678 2.907 10 0 AFAERN CCc1nc(NC2CC2)sc1C 58395684 167771646 /nfs/dbraw/zinc/77/16/46/167771646.db2.gz FKTXGIPPYCBQSK-UHFFFAOYSA-N 0 0 182.292 2.588 10 0 AFAERN CCc1nc2c(Cl)nccc2s1 89229150 167772166 /nfs/dbraw/zinc/77/21/66/167772166.db2.gz NZHSOSRJPWPXMR-UHFFFAOYSA-N 0 0 198.678 2.907 10 0 AFAERN CCc1nc2c(O)cccc2cc1C 34084696 167774356 /nfs/dbraw/zinc/77/43/56/167774356.db2.gz CPDHIECFZQYQMR-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN CCc1nc2c(OC)cccc2s1 45236116 167774485 /nfs/dbraw/zinc/77/44/85/167774485.db2.gz JUUOYRAPBSDKLJ-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN CCc1nc2c(Cl)cccc2[nH]1 70235134 167774747 /nfs/dbraw/zinc/77/47/47/167774747.db2.gz NFHCYESJWVRIAZ-UHFFFAOYSA-N 0 0 180.638 2.779 10 0 AFAERN CCc1nc2cccc(C)c2o1 62498488 167776340 /nfs/dbraw/zinc/77/63/40/167776340.db2.gz BXMIZXDZSDKODX-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCc1nc2ccc(O)cc2s1 45238017 167776428 /nfs/dbraw/zinc/77/64/28/167776428.db2.gz NLVXJKRIENTPGY-UHFFFAOYSA-N 0 0 179.244 2.564 10 0 AFAERN CCc1nc2cc(F)cc(F)c2o1 62520271 167776738 /nfs/dbraw/zinc/77/67/38/167776738.db2.gz LEQKHFYJVAPDNZ-UHFFFAOYSA-N 0 0 183.157 2.668 10 0 AFAERN CCc1nc2ccccc2n1C(F)F 95924249 167777254 /nfs/dbraw/zinc/77/72/54/167777254.db2.gz GBNCRTPXQSJTAO-UHFFFAOYSA-N 0 0 196.200 2.994 10 0 AFAERN CCc1nc2cc(F)c(F)cc2o1 62520276 167777510 /nfs/dbraw/zinc/77/75/10/167777510.db2.gz YPRQRXLNFNBJDB-UHFFFAOYSA-N 0 0 183.157 2.668 10 0 AFAERN CCc1noc2c(C)cccc12 196296423 167788433 /nfs/dbraw/zinc/78/84/33/167788433.db2.gz POSZIVCONLYSSK-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCc1noc(/C=C/C(C)(C)C)n1 306694286 167788887 /nfs/dbraw/zinc/78/88/87/167788887.db2.gz SRIPNOJIQZCBSU-VOTSOKGWSA-N 0 0 180.251 2.691 10 0 AFAERN CCc1noc([C@@H]2CCC[C@H]2C)n1 306346533 167789984 /nfs/dbraw/zinc/78/99/84/167789984.db2.gz PTGOGFYFZYDFMN-HTQZYQBOSA-N 0 0 180.251 2.536 10 0 AFAERN CCc1noc([C@H]2CCC[C@H]2C)n1 306346535 167790246 /nfs/dbraw/zinc/79/02/46/167790246.db2.gz PTGOGFYFZYDFMN-SFYZADRCSA-N 0 0 180.251 2.536 10 0 AFAERN CCc1ocnc1-c1ccccc1 3624596 167791038 /nfs/dbraw/zinc/79/10/38/167791038.db2.gz ZPTUKBKYBPCXFS-UHFFFAOYSA-N 0 0 173.215 2.904 10 0 AFAERN CCc1sc(Cl)nc1C 33966067 167793911 /nfs/dbraw/zinc/79/39/11/167793911.db2.gz SCPQKDRWAGAYTJ-UHFFFAOYSA-N 0 0 161.657 2.667 10 0 AFAERN CCc1sc(N)c2c1CCCC2 107094859 167794176 /nfs/dbraw/zinc/79/41/76/167794176.db2.gz VKSWNPSGDLDRPS-UHFFFAOYSA-N 0 0 181.304 2.772 10 0 AFAERN CCc1sc(C)cc1C(C)=O 77096052 167795190 /nfs/dbraw/zinc/79/51/90/167795190.db2.gz WWFNOWIREFQVFX-UHFFFAOYSA-N 0 0 168.261 2.822 10 0 AFAERN CCn1c(C2CC2)nc2ccccc21 39907671 167798072 /nfs/dbraw/zinc/79/80/72/167798072.db2.gz WHGHLNDWIRIJOU-UHFFFAOYSA-N 0 0 186.258 2.934 10 0 AFAERN CCn1ccc(C)cc1=S 32191874 167803866 /nfs/dbraw/zinc/80/38/66/167803866.db2.gz BMRLEKOCKIZGBZ-UHFFFAOYSA-N 0 0 153.250 2.546 10 0 AFAERN CCn1ccc2c1CC(C)(C)C[C@H]2O 41712454 167804459 /nfs/dbraw/zinc/80/44/59/167804459.db2.gz GUQKVIDXYOJVMB-LLVKDONJSA-N 0 0 193.290 2.514 10 0 AFAERN CCn1ccc2ccc(F)cc21 39081850 167806077 /nfs/dbraw/zinc/80/60/77/167806077.db2.gz FVEWJAGRUTWRSG-UHFFFAOYSA-N 0 0 163.195 2.800 10 0 AFAERN CCn1cnc2ccc(Cl)cc21 40417173 167808225 /nfs/dbraw/zinc/80/82/25/167808225.db2.gz AXKQUPOVGQJNCU-UHFFFAOYSA-N 0 0 180.638 2.710 10 0 AFAERN CN(C(=O)C(C)(C)C(C)(C)C)C1CC1 334370829 167814061 /nfs/dbraw/zinc/81/40/61/167814061.db2.gz PDTRGHGBBFVVGW-UHFFFAOYSA-N 0 0 197.322 2.680 10 0 AFAERN CN(C)c1c(O)cccc1C(C)(C)C 95711736 167854122 /nfs/dbraw/zinc/85/41/22/167854122.db2.gz UHDKQXXPDCINJG-UHFFFAOYSA-N 0 0 193.290 2.756 10 0 AFAERN CN(C)c1c(O)ccc2ccccc12 12359632 167854614 /nfs/dbraw/zinc/85/46/14/167854614.db2.gz OUKSNSAJLIUNDJ-UHFFFAOYSA-N 0 0 187.242 2.611 10 0 AFAERN CN(C)c1cccc2cccc(O)c12 34241661 167857908 /nfs/dbraw/zinc/85/79/08/167857908.db2.gz MFDRXEBMVOFXBX-UHFFFAOYSA-N 0 0 187.242 2.611 10 0 AFAERN CN(C)c1ccccc1NC1CCC1 44481439 167859237 /nfs/dbraw/zinc/85/92/37/167859237.db2.gz INPMILSOUINJHH-UHFFFAOYSA-N 0 0 190.290 2.717 10 0 AFAERN CN(CC1CCC1)c1ccccc1N 61455673 167871477 /nfs/dbraw/zinc/87/14/77/167871477.db2.gz OPGUZNKKOQBCNR-UHFFFAOYSA-N 0 0 190.290 2.505 10 0 AFAERN CN(c1ccc(N)cc1Cl)C1CC1 37080602 167893634 /nfs/dbraw/zinc/89/36/34/167893634.db2.gz UYISIFXRPZHXPJ-UHFFFAOYSA-N 0 0 196.681 2.521 10 0 AFAERN CN(c1ccccc1)c1cccnc1 34562407 167893925 /nfs/dbraw/zinc/89/39/25/167893925.db2.gz INKGFTSGGGUXDH-UHFFFAOYSA-N 0 0 184.242 2.850 10 0 AFAERN CN1CCCNc2ccc(Cl)cc21 76637102 167904449 /nfs/dbraw/zinc/90/44/49/167904449.db2.gz ZVXXACBSPZSZKA-UHFFFAOYSA-N 0 0 196.681 2.592 10 0 AFAERN CC[C@@H](C)c1csc(C)n1 134962205 343952498 /nfs/dbraw/zinc/95/24/98/343952498.db2.gz WUZNATZWZNKWBO-ZCFIWIBFSA-N 0 0 155.266 2.965 10 0 AFAERN CN1C[C@H]1c1ccc2ccccc2c1 5967076 167941596 /nfs/dbraw/zinc/94/15/96/167941596.db2.gz BVBZYMCWQJRWDW-LSLKUGRBSA-N 0 0 183.254 2.826 10 0 AFAERN CN1c2ccccc2SC1(C)C 32302145 167946285 /nfs/dbraw/zinc/94/62/85/167946285.db2.gz ODZISWCHQQOYGL-UHFFFAOYSA-N 0 0 179.288 2.965 10 0 AFAERN CNC(=S)c1ccccc1C(C)C 75856818 167979875 /nfs/dbraw/zinc/97/98/75/167979875.db2.gz ZRDFPQPGRARVQX-UHFFFAOYSA-N 0 0 193.315 2.705 10 0 AFAERN CNSc1nc2ccccc2s1 45238036 168027639 /nfs/dbraw/zinc/02/76/39/168027639.db2.gz UZBIEGBACHITGH-UHFFFAOYSA-N 0 0 196.300 2.523 10 0 AFAERN O[C@]1(c2cccs2)C=CCCC1 135113295 343954908 /nfs/dbraw/zinc/95/49/08/343954908.db2.gz RZWOZJPFXRTKPQ-SNVBAGLBSA-N 0 0 180.272 2.676 10 0 AFAERN CC[C@@H](CC1CCCC1)[C@@H](C)O 43657198 167505424 /nfs/dbraw/zinc/50/54/24/167505424.db2.gz ZQQNWYILJPBNCK-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CN[C@@](C)(CC(C)C)C(F)(F)F 82875845 168045009 /nfs/dbraw/zinc/04/50/09/168045009.db2.gz JVCQZIOIPXFVEE-ZETCQYMHSA-N 0 0 183.217 2.573 10 0 AFAERN CN[C@H](c1cccs1)C(F)(F)F 35487888 168055505 /nfs/dbraw/zinc/05/55/05/168055505.db2.gz JOPZBBOBXGMPSW-ZCFIWIBFSA-N 0 0 195.209 2.571 10 0 AFAERN CN[C@](C)(CC(C)C)C(F)(F)F 82875846 168061998 /nfs/dbraw/zinc/06/19/98/168061998.db2.gz JVCQZIOIPXFVEE-SSDOTTSWSA-N 0 0 183.217 2.573 10 0 AFAERN CNc1c(O)cccc1OC(C)(C)C 95720258 168062228 /nfs/dbraw/zinc/06/22/28/168062228.db2.gz UZHBHXDGIAWRMX-UHFFFAOYSA-N 0 0 195.262 2.611 10 0 AFAERN CNc1c(C)n(C)c2ccccc12 71496855 168062323 /nfs/dbraw/zinc/06/23/23/168062323.db2.gz BKTVRYFHSMUOQZ-UHFFFAOYSA-N 0 0 174.247 2.528 10 0 AFAERN CNc1cc(C(C)=O)ccc1Cl 82716523 168062357 /nfs/dbraw/zinc/06/23/57/168062357.db2.gz LZWFVUUDZPPFDZ-UHFFFAOYSA-N 0 0 183.638 2.584 10 0 AFAERN CNc1c(C)[nH]c2ccccc12 71495638 168062395 /nfs/dbraw/zinc/06/23/95/168062395.db2.gz HYEFFLOKMMPGRC-UHFFFAOYSA-N 0 0 160.220 2.518 10 0 AFAERN CNc1cc(C)c(C)cc1C 71495375 168062448 /nfs/dbraw/zinc/06/24/48/168062448.db2.gz QAFMZWPUGCYKHE-UHFFFAOYSA-N 0 0 149.237 2.654 10 0 AFAERN CNc1cc(C(C)C)ccc1O 95721249 168062502 /nfs/dbraw/zinc/06/25/02/168062502.db2.gz CIXHVYUIJAVRNN-UHFFFAOYSA-N 0 0 165.236 2.557 10 0 AFAERN CNc1c(O)cccc1C(C)C 95724314 168062602 /nfs/dbraw/zinc/06/26/02/168062602.db2.gz AUGUVKZJOROEQY-UHFFFAOYSA-N 0 0 165.236 2.557 10 0 AFAERN CNc1c(Cl)ccc2scnc12 62796729 168062733 /nfs/dbraw/zinc/06/27/33/168062733.db2.gz XLPLGEIYELZIJR-UHFFFAOYSA-N 0 0 198.678 2.991 10 0 AFAERN CNc1cc(C(C)C)ccc1OC 71497947 168062871 /nfs/dbraw/zinc/06/28/71/168062871.db2.gz CZGFDTLRRSNLKY-UHFFFAOYSA-N 0 0 179.263 2.860 10 0 AFAERN CNc1c(C)cccc1OC1CC1 95730582 168062878 /nfs/dbraw/zinc/06/28/78/168062878.db2.gz XYPJKXQXNNEUBR-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CNc1c(C)c(Cl)cc(C)c1O 71457037 168062999 /nfs/dbraw/zinc/06/29/99/168062999.db2.gz ULOWMMQWPONASV-UHFFFAOYSA-N 0 0 185.654 2.704 10 0 AFAERN CNc1cc(C(C)C)c(O)cc1C 71455986 168063010 /nfs/dbraw/zinc/06/30/10/168063010.db2.gz VOEPDVRLAIIUJS-UHFFFAOYSA-N 0 0 179.263 2.866 10 0 AFAERN CNc1cc(Br)cs1 71506036 168063171 /nfs/dbraw/zinc/06/31/71/168063171.db2.gz YIQDCVOVDKUMLM-UHFFFAOYSA-N 0 0 192.081 2.552 10 0 AFAERN CNc1c(Cl)cccc1OC1CC1 95730468 168063209 /nfs/dbraw/zinc/06/32/09/168063209.db2.gz DRKLOSILMVQYRW-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN CNc1c(OC)ccc2ccccc12 71445652 168063219 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/nfs/dbraw/zinc/06/37/55/168063755.db2.gz MIJNGJHCXFQCKT-UHFFFAOYSA-N 0 0 179.263 2.731 10 0 AFAERN CNc1cc(C)c2cccc(C)c2n1 344610 168063789 /nfs/dbraw/zinc/06/37/89/168063789.db2.gz JPPIOMVHOWZAPU-UHFFFAOYSA-N 0 0 186.258 2.893 10 0 AFAERN CNc1cc(C)ccc1OC1CC1 95728647 168064249 /nfs/dbraw/zinc/06/42/49/168064249.db2.gz MUNZYNUMEWOPJA-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CNc1cc(O)ccc1C(C)(C)C 95725068 168064254 /nfs/dbraw/zinc/06/42/54/168064254.db2.gz UYEUAHVEYRVMSX-UHFFFAOYSA-N 0 0 179.263 2.731 10 0 AFAERN CNc1cc(O)ccc1OC(C)(C)C 95713475 168064266 /nfs/dbraw/zinc/06/42/66/168064266.db2.gz OYSQRRLOPAIZSV-UHFFFAOYSA-N 0 0 195.262 2.611 10 0 AFAERN CNc1cc(Cl)cc(C(C)=O)c1 82716525 168064268 /nfs/dbraw/zinc/06/42/68/168064268.db2.gz NKLCOCBLPHBBFJ-UHFFFAOYSA-N 0 0 183.638 2.584 10 0 AFAERN CNc1cc(Cl)ccc1OC1CC1 95728702 168064281 /nfs/dbraw/zinc/06/42/81/168064281.db2.gz BAHWASWFHBWCCQ-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN CNc1cc(C)nc2c(F)cccc12 50869690 168064288 /nfs/dbraw/zinc/06/42/88/168064288.db2.gz FQCGGACCKGLNPW-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CNc1ccc(-c2coc(C)n2)cc1 62796801 168064328 /nfs/dbraw/zinc/06/43/28/168064328.db2.gz MXGDZHYZJLIQAA-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CNc1cc2c(cn1)[nH]c1ccccc12 66110316 168064339 /nfs/dbraw/zinc/06/43/39/168064339.db2.gz JMCJZSRCVKPORE-UHFFFAOYSA-N 0 0 197.241 2.758 10 0 AFAERN CNc1cc(Cl)c(OC)cc1C 71499726 168064401 /nfs/dbraw/zinc/06/44/01/168064401.db2.gz CJZKVZXPSFCOIZ-UHFFFAOYSA-N 0 0 185.654 2.699 10 0 AFAERN CNc1cc(Cl)cc(C)c1OC 71499731 168064426 /nfs/dbraw/zinc/06/44/26/168064426.db2.gz MKJPGBPIZNXCDZ-UHFFFAOYSA-N 0 0 185.654 2.699 10 0 AFAERN CNc1cc(C)cc(OC2CC2)c1 95724829 168064470 /nfs/dbraw/zinc/06/44/70/168064470.db2.gz MPCKWRBZDZOOFC-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CNc1cc(O)ccc1C(C)C 95723894 168064561 /nfs/dbraw/zinc/06/45/61/168064561.db2.gz NWFZZDRHTYGXGU-UHFFFAOYSA-N 0 0 165.236 2.557 10 0 AFAERN CNc1cc2cccnc2cc1C 39119810 168064570 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/nfs/dbraw/zinc/06/68/83/168066883.db2.gz WMWMRZLXQLMXBE-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CNc1cccc(-c2ncc(C)o2)c1 82530122 168066894 /nfs/dbraw/zinc/06/68/94/168066894.db2.gz FVMPWELBUNOUMG-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CNc1ccc2sc(C)nc2c1 45237117 168067008 /nfs/dbraw/zinc/06/70/08/168067008.db2.gz BYINWWJZMZNSBH-UHFFFAOYSA-N 0 0 178.260 2.646 10 0 AFAERN CNc1ccc(OC)c(C(C)C)c1 71455712 168067042 /nfs/dbraw/zinc/06/70/42/168067042.db2.gz HYWSKUQGURGDTL-UHFFFAOYSA-N 0 0 179.263 2.860 10 0 AFAERN CNc1ccc(OC2CC2)c(C)c1 95729802 168067076 /nfs/dbraw/zinc/06/70/76/168067076.db2.gz HTFVEFJDHSEJBP-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CNc1ccc2c(c1)CCCC2 71445624 168067104 /nfs/dbraw/zinc/06/71/04/168067104.db2.gz RTWRRNODKQLJFY-UHFFFAOYSA-N 0 0 161.248 2.607 10 0 AFAERN CNc1ccc(OC2CC2)cc1C 95729414 168067134 /nfs/dbraw/zinc/06/71/34/168067134.db2.gz YEVBGGRFEZGBOZ-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CNc1cccc(-c2ccccc2)n1 83824137 168067245 /nfs/dbraw/zinc/06/72/45/168067245.db2.gz LESRWGXZCSIATI-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN CNc1ccc(OC(C)C)c(OC)c1 71455549 168067275 /nfs/dbraw/zinc/06/72/75/168067275.db2.gz WLMGYKXCPJGSNM-UHFFFAOYSA-N 0 0 195.262 2.524 10 0 AFAERN CNc1ccc(OC/C=C/Cl)cc1 38056630 168067373 /nfs/dbraw/zinc/06/73/73/168067373.db2.gz JIMXMUZNOJFSQA-FARCUNLSSA-N 0 0 197.665 2.860 10 0 AFAERN CNc1ccc2cccc(O)c2c1 37631332 168067421 /nfs/dbraw/zinc/06/74/21/168067421.db2.gz PYILOHKMJBLDHQ-UHFFFAOYSA-N 0 0 173.215 2.587 10 0 AFAERN CNc1ccc(OC)c2ccccc12 71451008 168067527 /nfs/dbraw/zinc/06/75/27/168067527.db2.gz PNZXLBJMUMFJIA-UHFFFAOYSA-N 0 0 187.242 2.890 10 0 AFAERN CNc1ccc2c(c1)ncn2C(C)C 83254521 168067590 /nfs/dbraw/zinc/06/75/90/168067590.db2.gz XRPHRVVMRXGBHH-UHFFFAOYSA-N 0 0 189.262 2.659 10 0 AFAERN CNc1ccc(O)cc1OC(C)(C)C 95722946 168067648 /nfs/dbraw/zinc/06/76/48/168067648.db2.gz YNMDWUREKFHXGP-UHFFFAOYSA-N 0 0 195.262 2.611 10 0 AFAERN CNc1ccc(OC(C)C)c(F)c1 71499346 168067713 /nfs/dbraw/zinc/06/77/13/168067713.db2.gz MDCURCWUKUYTFP-UHFFFAOYSA-N 0 0 183.226 2.655 10 0 AFAERN CNc1ccc(OC(C)C)cc1C 62796586 168067724 /nfs/dbraw/zinc/06/77/24/168067724.db2.gz QUWZUQBOUZMJOW-UHFFFAOYSA-N 0 0 179.263 2.824 10 0 AFAERN CNc1ccc(OC2CC2)c(Cl)c1 95730479 168067737 /nfs/dbraw/zinc/06/77/37/168067737.db2.gz DOEKRINQMCBVMQ-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN CNc1cccc(OC(C)(C)C)c1O 95712824 168067769 /nfs/dbraw/zinc/06/77/69/168067769.db2.gz XZZVPCNEKTZVOL-UHFFFAOYSA-N 0 0 195.262 2.611 10 0 AFAERN CNc1ccnc2c(Cl)cccc12 50844006 168067813 /nfs/dbraw/zinc/06/78/13/168067813.db2.gz OKQUWACSCUAOKZ-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CNc1ccnc2c(C)cc(F)cc12 50843870 168067825 /nfs/dbraw/zinc/06/78/25/168067825.db2.gz QAHVVRQKTUMMNY-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CNc1cccc(OC2CC2)c1C 95730871 168067857 /nfs/dbraw/zinc/06/78/57/168067857.db2.gz YGBLMZYSRGWFPP-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CNc1cccc(O)c1C(C)(C)C 95723460 168067872 /nfs/dbraw/zinc/06/78/72/168067872.db2.gz CBKXMEIYFJHUDH-UHFFFAOYSA-N 0 0 179.263 2.731 10 0 AFAERN CNc1cccc2c(C)nccc12 39119729 168067890 /nfs/dbraw/zinc/06/78/90/168067890.db2.gz POZINOFNIKFOGJ-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN CNc1ccccc1OC(C)C 32006349 168067924 /nfs/dbraw/zinc/06/79/24/168067924.db2.gz CQHFCDRPDIYPOL-UHFFFAOYSA-N 0 0 165.236 2.516 10 0 AFAERN CNc1ccnc2c(F)ccc(C)c12 50843807 168067985 /nfs/dbraw/zinc/06/79/85/168067985.db2.gz OZGYNDVXGHNYJS-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CNc1cccc2cccc(OC)c12 3204611 168068097 /nfs/dbraw/zinc/06/80/97/168068097.db2.gz JWSLDHQNDGMPOH-UHFFFAOYSA-N 0 0 187.242 2.890 10 0 AFAERN CNc1cccc2cncc(C)c12 82792507 168068305 /nfs/dbraw/zinc/06/83/05/168068305.db2.gz KZVCBKAKYZLCGS-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN CNc1ccnc2c(F)ccc(F)c12 50844125 168068321 /nfs/dbraw/zinc/06/83/21/168068321.db2.gz JWPFWSNEVMNRCM-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN CNc1ccnc(C2CCCCC2)n1 50852567 168068324 /nfs/dbraw/zinc/06/83/24/168068324.db2.gz PLFCPSPISVDKGU-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN CNc1ccccc1Nc1ccccn1 148337460 168068452 /nfs/dbraw/zinc/06/84/52/168068452.db2.gz IKJUQBQUPOOASY-UHFFFAOYSA-N 0 0 199.257 2.867 10 0 AFAERN CNc1cccc(O)c1C(C)C 95724143 168068521 /nfs/dbraw/zinc/06/85/21/168068521.db2.gz STCRSBMJWQQINP-UHFFFAOYSA-N 0 0 165.236 2.557 10 0 AFAERN CNc1ccnc2c(F)cc(F)cc12 50844091 168068593 /nfs/dbraw/zinc/06/85/93/168068593.db2.gz WTMTYQXLGHSVRQ-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN CNc1ccnc2c(F)cc(C)cc12 50844259 168068625 /nfs/dbraw/zinc/06/86/25/168068625.db2.gz BRYHWIZWRAAQCX-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CNc1ccnc2ccc(Cl)cc12 50843930 168068642 /nfs/dbraw/zinc/06/86/42/168068642.db2.gz WLSYKCDHLNWFGL-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CNc1ccccc1OC(C)(C)C 306364061 168068922 /nfs/dbraw/zinc/06/89/22/168068922.db2.gz AFPSRSQGVUJCMJ-UHFFFAOYSA-N 0 0 179.263 2.906 10 0 AFAERN CNc1cccc(OC2CC2)c1Cl 95728489 168068947 /nfs/dbraw/zinc/06/89/47/168068947.db2.gz STBZSVHRQJYLEK-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN CNc1ccnc2cc(F)c(F)cc12 50844189 168069022 /nfs/dbraw/zinc/06/90/22/168069022.db2.gz KIKSSGVNMOPLNL-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN CNc1ccccc1OCC(C)C 62796585 168069042 /nfs/dbraw/zinc/06/90/42/168069042.db2.gz BLLPEPXIDFIWSM-UHFFFAOYSA-N 0 0 179.263 2.763 10 0 AFAERN CNc1cccc2cnc(C)cc12 82792460 168069095 /nfs/dbraw/zinc/06/90/95/168069095.db2.gz ZSLVTKFROUSDEF-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN CNc1cccc(SC)c1F 75926554 168069207 /nfs/dbraw/zinc/06/92/07/168069207.db2.gz HUMIDFDKHGFFNQ-UHFFFAOYSA-N 0 0 171.240 2.589 10 0 AFAERN CNc1cccc(O)c1OC(C)(C)C 95723129 168069263 /nfs/dbraw/zinc/06/92/63/168069263.db2.gz ASKRILGGZCXHNL-UHFFFAOYSA-N 0 0 195.262 2.611 10 0 AFAERN CNc1ccnc2c(F)c(F)ccc12 50844409 168069295 /nfs/dbraw/zinc/06/92/95/168069295.db2.gz NJDJNTDDZWJSCW-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN CNc1nc(C)c(C(C)(C)C)s1 3102066 168069565 /nfs/dbraw/zinc/06/95/65/168069565.db2.gz OWWBOTZZEUPHBN-UHFFFAOYSA-N 0 0 184.308 2.791 10 0 AFAERN CNc1nc(-c2ccc(C)o2)cs1 61714305 168070132 /nfs/dbraw/zinc/07/01/32/168070132.db2.gz GMXRMUCDGVDZER-UHFFFAOYSA-N 0 0 194.259 2.753 10 0 AFAERN CNc1nc(Cl)cc2ccccc12 82753482 168070381 /nfs/dbraw/zinc/07/03/81/168070381.db2.gz NEXOIDQBAIFARE-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CNc1nc(-c2ccco2)c(C)s1 61714323 168071135 /nfs/dbraw/zinc/07/11/35/168071135.db2.gz AUJBIUJHJPYVLB-UHFFFAOYSA-N 0 0 194.259 2.753 10 0 AFAERN CNc1nc(C(C)C)c(C)s1 61714272 168071187 /nfs/dbraw/zinc/07/11/87/168071187.db2.gz WWULFOZNMKKHJH-UHFFFAOYSA-N 0 0 170.281 2.617 10 0 AFAERN CNc1nc2cc(C)ccc2s1 34651773 168071528 /nfs/dbraw/zinc/07/15/28/168071528.db2.gz GBMXWXGCHNRTRN-UHFFFAOYSA-N 0 0 178.260 2.646 10 0 AFAERN CNc1nc2c(C)ccc(Cl)c2o1 62522181 168071658 /nfs/dbraw/zinc/07/16/58/168071658.db2.gz ACEWQVFHZZLUKQ-UHFFFAOYSA-N 0 0 196.637 2.831 10 0 AFAERN CNc1nc2cc(Cl)c(C)cc2o1 71791816 168071734 /nfs/dbraw/zinc/07/17/34/168071734.db2.gz YUBCTRXKTXDEOL-UHFFFAOYSA-N 0 0 196.637 2.831 10 0 AFAERN CNc1nc2ccc(C)cc2s1 41651267 168071801 /nfs/dbraw/zinc/07/18/01/168071801.db2.gz JIZOIALDBBFIQI-UHFFFAOYSA-N 0 0 178.260 2.646 10 0 AFAERN CNc1nc2c(C)cc(C)cc2s1 41651288 168071841 /nfs/dbraw/zinc/07/18/41/168071841.db2.gz QSGOVEQGHURRIO-UHFFFAOYSA-N 0 0 192.287 2.955 10 0 AFAERN CNc1nc2cc(C)cc(C)c2s1 41651337 168071855 /nfs/dbraw/zinc/07/18/55/168071855.db2.gz KMYSQNUCSMFTMI-UHFFFAOYSA-N 0 0 192.287 2.955 10 0 AFAERN CNc1nc2c(C)c(C)cc(C)c2o1 62520783 168071857 /nfs/dbraw/zinc/07/18/57/168071857.db2.gz PQPFKRSKENYHFA-UHFFFAOYSA-N 0 0 190.246 2.795 10 0 AFAERN CNc1nc2cc(Cl)cc(C)c2o1 62522168 168071863 /nfs/dbraw/zinc/07/18/63/168071863.db2.gz UIYPQMQOOJCPCJ-UHFFFAOYSA-N 0 0 196.637 2.831 10 0 AFAERN CNc1nc2cccc(Cl)c2o1 62520267 168071881 /nfs/dbraw/zinc/07/18/81/168071881.db2.gz ZDAOLLQORRCPKJ-UHFFFAOYSA-N 0 0 182.610 2.523 10 0 AFAERN CNc1nc2ccccc2n1C(C)C 75416119 168071965 /nfs/dbraw/zinc/07/19/65/168071965.db2.gz KXKJOBYPOQTGIB-UHFFFAOYSA-N 0 0 189.262 2.659 10 0 AFAERN CNc1nc2cccc(C(C)C)c2o1 62520803 168072040 /nfs/dbraw/zinc/07/20/40/168072040.db2.gz LGXQEHPIMVRTJN-UHFFFAOYSA-N 0 0 190.246 2.993 10 0 AFAERN CNc1nc2c(s1)CCC[C@@H]2C 61877194 168072064 /nfs/dbraw/zinc/07/20/64/168072064.db2.gz IFYJIMMEGMJJRO-LURJTMIESA-N 0 0 182.292 2.625 10 0 AFAERN CNc1nc2cc(C(C)C)ccc2o1 62520712 168072075 /nfs/dbraw/zinc/07/20/75/168072075.db2.gz XIPQKDXHISSYEK-UHFFFAOYSA-N 0 0 190.246 2.993 10 0 AFAERN CNc1nc2c(s1)CCCCCC2 32297970 168072099 /nfs/dbraw/zinc/07/20/99/168072099.db2.gz XEVGBYWJEAWWPT-UHFFFAOYSA-N 0 0 196.319 2.844 10 0 AFAERN CNc1nc2cc(C)c(C)cc2s1 45237466 168072124 /nfs/dbraw/zinc/07/21/24/168072124.db2.gz RNHMKAWTMGWJEU-UHFFFAOYSA-N 0 0 192.287 2.955 10 0 AFAERN CNc1ncccc1CSC(C)C 52756490 168072253 /nfs/dbraw/zinc/07/22/53/168072253.db2.gz NTWVENXJZABXRU-UHFFFAOYSA-N 0 0 196.319 2.765 10 0 AFAERN CNc1nc2c(s1)CCC[C@H]2C 61877193 168072361 /nfs/dbraw/zinc/07/23/61/168072361.db2.gz IFYJIMMEGMJJRO-ZCFIWIBFSA-N 0 0 182.292 2.625 10 0 AFAERN CNc1nc2c(C)ccc(C)c2s1 41651347 168072837 /nfs/dbraw/zinc/07/28/37/168072837.db2.gz UPWICOSFMZCXHV-UHFFFAOYSA-N 0 0 192.287 2.955 10 0 AFAERN CNc1nc2c(C)cccc2s1 39348662 168072912 /nfs/dbraw/zinc/07/29/12/168072912.db2.gz MXNODZWUGADVFY-UHFFFAOYSA-N 0 0 178.260 2.646 10 0 AFAERN CNc1nc2cc(C)c(Cl)cc2o1 62522175 168072965 /nfs/dbraw/zinc/07/29/65/168072965.db2.gz CCYHNHVKRLWPMR-UHFFFAOYSA-N 0 0 196.637 2.831 10 0 AFAERN CNc1sc(C(C)C)nc1C 71791805 168073239 /nfs/dbraw/zinc/07/32/39/168073239.db2.gz SSVTZMMOPDJCOI-UHFFFAOYSA-N 0 0 170.281 2.617 10 0 AFAERN CO/C=C(/C)c1cc2ccccn2c1 90515178 168073476 /nfs/dbraw/zinc/07/34/76/168073476.db2.gz NULDVOMBHFXDFO-KTKRTIGZSA-N 0 0 187.242 2.947 10 0 AFAERN CO/C1=C\CCCCCC1 100239954 168073659 /nfs/dbraw/zinc/07/36/59/168073659.db2.gz LACILBBCPMXTKX-CLFYSBASSA-N 0 0 140.226 2.871 10 0 AFAERN CO/C=C(\C)c1cc2ccccn2c1 90515176 168073789 /nfs/dbraw/zinc/07/37/89/168073789.db2.gz NULDVOMBHFXDFO-MDZDMXLPSA-N 0 0 187.242 2.947 10 0 AFAERN CO/C(C)=C\c1ccccc1 2167447 168073844 /nfs/dbraw/zinc/07/38/44/168073844.db2.gz NYXONXCTWDTZDP-HJWRWDBZSA-N 0 0 148.205 2.694 10 0 AFAERN CO/C=C\c1nc2ccccc2s1 45237319 168074800 /nfs/dbraw/zinc/07/48/00/168074800.db2.gz XYQRYANXDGQSPN-SREVYHEPSA-N 0 0 191.255 2.913 10 0 AFAERN COC(=N)Cc1ccc(Cl)cc1 37927965 168076215 /nfs/dbraw/zinc/07/62/15/168076215.db2.gz WEWSUQLBKXTBGO-UHFFFAOYSA-N 0 0 183.638 2.506 10 0 AFAERN COC(=N)c1ccc2ccccc2c1 37928041 168076314 /nfs/dbraw/zinc/07/63/14/168076314.db2.gz AQIUYQZOWDBAJX-UHFFFAOYSA-N 0 0 185.226 2.812 10 0 AFAERN COC(=N)c1ccc(CC(C)C)cc1 77276375 168076694 /nfs/dbraw/zinc/07/66/94/168076694.db2.gz NPHNTEQGSJYTNK-UHFFFAOYSA-N 0 0 191.274 2.857 10 0 AFAERN COC(=N)Cc1cccc(Cl)c1 37927982 168076744 /nfs/dbraw/zinc/07/67/44/168076744.db2.gz DBHMTNFJJCXACI-UHFFFAOYSA-N 0 0 183.638 2.506 10 0 AFAERN COC(=N)c1ccc2c(c1)CCCC2 77274601 168076764 /nfs/dbraw/zinc/07/67/64/168076764.db2.gz ZEKPWXKBGBVNHC-UHFFFAOYSA-N 0 0 189.258 2.537 10 0 AFAERN COC(=N)c1ccc(C(C)(C)C)cc1 37928071 168076821 /nfs/dbraw/zinc/07/68/21/168076821.db2.gz JPZYPJXOTSZWPM-UHFFFAOYSA-N 0 0 191.274 2.956 10 0 AFAERN COC(=O)/C=C(/C)c1ccc(C)cc1 133838986 168076886 /nfs/dbraw/zinc/07/68/86/168076886.db2.gz UMPBOCVMOBQZIS-NTMALXAHSA-N 0 0 190.242 2.571 10 0 AFAERN COC(=N)Cc1c(C)cc(C)cc1C 71505846 168077153 /nfs/dbraw/zinc/07/71/53/168077153.db2.gz KIFNCLGYWPPLRJ-UHFFFAOYSA-N 0 0 191.274 2.778 10 0 AFAERN COC(=N)Cc1ccccc1Cl 44267666 168077156 /nfs/dbraw/zinc/07/71/56/168077156.db2.gz BHJMJLRZUKWWCD-UHFFFAOYSA-N 0 0 183.638 2.506 10 0 AFAERN COC(=N)c1cccc2ccccc12 37928077 168077411 /nfs/dbraw/zinc/07/74/11/168077411.db2.gz ZQASGQJAAGEULQ-UHFFFAOYSA-N 0 0 185.226 2.812 10 0 AFAERN COC(=N)c1ccc(C(C)C)cc1 37927991 168077446 /nfs/dbraw/zinc/07/74/46/168077446.db2.gz YHCSMXVCEHFJKY-UHFFFAOYSA-N 0 0 177.247 2.782 10 0 AFAERN COC(=N)c1cc(C)n(C(C)C)c1C 77295517 168077450 /nfs/dbraw/zinc/07/74/50/168077450.db2.gz RHWWOMZBFKVBBW-UHFFFAOYSA-N 0 0 194.278 2.658 10 0 AFAERN COC(=O)/C=C1/CCCC(C)(C)C1 5762195 168078289 /nfs/dbraw/zinc/07/82/89/168078289.db2.gz COTFKVCHGYBTDB-CLFYSBASSA-N 0 0 182.263 2.686 10 0 AFAERN COC(=O)/C=C\c1ccccc1Cl 95845652 168078782 /nfs/dbraw/zinc/07/87/82/168078782.db2.gz POTRTUQCRHOIFM-SREVYHEPSA-N 0 0 196.633 2.526 10 0 AFAERN COC(=O)/C=C(\C)c1ccccc1C 2515973 168079114 /nfs/dbraw/zinc/07/91/14/168079114.db2.gz HBKVNQGAJWYSIQ-CSKARUKUSA-N 0 0 190.242 2.571 10 0 AFAERN COC(=O)C1(C2CC2)CCCCC1 104839715 168081980 /nfs/dbraw/zinc/08/19/80/168081980.db2.gz MXSYQCFMUKFWBG-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN COC(=O)CC(C)(C)c1cccs1 57348807 168085743 /nfs/dbraw/zinc/08/57/43/168085743.db2.gz OEFZEWUBLGSFLJ-UHFFFAOYSA-N 0 0 198.287 2.589 10 0 AFAERN Cc1cccc(F)c1NCC(F)F 135239438 343957951 /nfs/dbraw/zinc/95/79/51/343957951.db2.gz BLQPNVSICRGJCS-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN CCCNc1c(C)cccc1F 135237037 343957956 /nfs/dbraw/zinc/95/79/56/343957956.db2.gz CHHPNPHBNAFJKD-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN COC[C@@H](C)Nc1c(C)cccc1F 135235948 343957957 /nfs/dbraw/zinc/95/79/57/343957957.db2.gz IBIWGWSEZSYKOY-SECBINFHSA-N 0 0 197.253 2.581 10 0 AFAERN Cc1cccc(F)c1NCCF 135237779 343957958 /nfs/dbraw/zinc/95/79/58/343957958.db2.gz UOZWZIWITSMMCS-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN COC(=O)C[C@@H](C)c1ccc(C)cc1 6071094 168095627 /nfs/dbraw/zinc/09/56/27/168095627.db2.gz OBWVAZIGRGXGIB-SNVBAGLBSA-N 0 0 192.258 2.662 10 0 AFAERN COC(=O)C[C@H](C)c1ccc(C)cc1 6071068 168096783 /nfs/dbraw/zinc/09/67/83/168096783.db2.gz OBWVAZIGRGXGIB-JTQLQIEISA-N 0 0 192.258 2.662 10 0 AFAERN FCCNc1c(F)cccc1Cl 135246857 343957972 /nfs/dbraw/zinc/95/79/72/343957972.db2.gz HUPXPLWPXQDCBY-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN COC(=O)N1C=CC=CC2=C1CCC2 104842586 168101052 /nfs/dbraw/zinc/10/10/52/168101052.db2.gz IMXHXGNUCDGLPX-UHFFFAOYSA-N 0 0 191.230 2.576 10 0 AFAERN COC(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 5369955 168101976 /nfs/dbraw/zinc/10/19/76/168101976.db2.gz UNTWHYSKKJDVSP-RKDXNWHRSA-N 0 0 199.294 2.557 10 0 AFAERN COC(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 3102875 168102605 /nfs/dbraw/zinc/10/26/05/168102605.db2.gz UNTWHYSKKJDVSP-DTWKUNHWSA-N 0 0 199.294 2.557 10 0 AFAERN COC(=O)Nc1ccccc1C(C)C 5913236 168103257 /nfs/dbraw/zinc/10/32/57/168103257.db2.gz XTXTZQQTCYNGJA-UHFFFAOYSA-N 0 0 193.246 2.988 10 0 AFAERN COC(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 223986 168103799 /nfs/dbraw/zinc/10/37/99/168103799.db2.gz UNTWHYSKKJDVSP-BDAKNGLRSA-N 0 0 199.294 2.557 10 0 AFAERN COC(=O)Nc1ccc(C(C)C)cc1 3197058 168104248 /nfs/dbraw/zinc/10/42/48/168104248.db2.gz HWKKOEAUMGEKCA-UHFFFAOYSA-N 0 0 193.246 2.988 10 0 AFAERN COC(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 223985 168104269 /nfs/dbraw/zinc/10/42/69/168104269.db2.gz UNTWHYSKKJDVSP-IUCAKERBSA-N 0 0 199.294 2.557 10 0 AFAERN COC(=O)OC1CCCCCCC1 5997181 168104392 /nfs/dbraw/zinc/10/43/92/168104392.db2.gz MCNKZOMTVSVVSJ-UHFFFAOYSA-N 0 0 186.251 2.882 10 0 AFAERN COC(=O)[C@@H](C)CCCC(C)C 104393220 168104606 /nfs/dbraw/zinc/10/46/06/168104606.db2.gz YZXFZYNUDQFVIU-VIFPVBQESA-N 0 0 172.268 2.622 10 0 AFAERN COC(=O)Nc1cccc(C(C)C)c1 34616901 168104696 /nfs/dbraw/zinc/10/46/96/168104696.db2.gz SEZTZNAOWYQLMX-UHFFFAOYSA-N 0 0 193.246 2.988 10 0 AFAERN COC(=O)[C@@H](C/C=C\Cl)C(C)C 85473511 168107468 /nfs/dbraw/zinc/10/74/68/168107468.db2.gz BHFJTVFRXXWPLV-HORMHSFOSA-N 0 0 190.670 2.574 10 0 AFAERN COC(=O)[C@@H](C)c1ccccc1Cl 52248320 168108115 /nfs/dbraw/zinc/10/81/15/168108115.db2.gz OIEBAXIJLDGWBZ-ZETCQYMHSA-N 0 0 198.649 2.617 10 0 AFAERN COC(=O)[C@@H]1C(C)=CCCC1(C)C 5766940 168109103 /nfs/dbraw/zinc/10/91/03/168109103.db2.gz NVAGRWXDIIKUBU-VIFPVBQESA-N 0 0 182.263 2.542 10 0 AFAERN COC(=O)[C@@H](c1cccs1)C(C)C 41209441 168109486 /nfs/dbraw/zinc/10/94/86/168109486.db2.gz RAHXEVXRMDKKSO-SECBINFHSA-N 0 0 198.287 2.661 10 0 AFAERN COC(=O)[C@@]12C=C[C@@](C)(CC1)C2(C)C 39112458 168115924 /nfs/dbraw/zinc/11/59/24/168115924.db2.gz VUCXULZYWGZBJD-NWDGAFQWSA-N 0 0 194.274 2.542 10 0 AFAERN COC(=O)[C@H](C)CCCC(C)C 104393217 168116022 /nfs/dbraw/zinc/11/60/22/168116022.db2.gz YZXFZYNUDQFVIU-SECBINFHSA-N 0 0 172.268 2.622 10 0 AFAERN COC(=O)[C@H](C)c1ccccc1Cl 21982988 168118450 /nfs/dbraw/zinc/11/84/50/168118450.db2.gz OIEBAXIJLDGWBZ-SSDOTTSWSA-N 0 0 198.649 2.617 10 0 AFAERN COC(=O)[C@H](C/C=C\Cl)C(C)C 98087694 168118635 /nfs/dbraw/zinc/11/86/35/168118635.db2.gz BHFJTVFRXXWPLV-RZAAKKIOSA-N 0 0 190.670 2.574 10 0 AFAERN COC(=O)[C@H](C/C=C/Cl)C(C)C 34017000 168119411 /nfs/dbraw/zinc/11/94/11/168119411.db2.gz BHFJTVFRXXWPLV-YZCDNWJKSA-N 0 0 190.670 2.574 10 0 AFAERN COC(=O)[C@H](c1cccs1)C(C)C 41209439 168121083 /nfs/dbraw/zinc/12/10/83/168121083.db2.gz RAHXEVXRMDKKSO-VIFPVBQESA-N 0 0 198.287 2.661 10 0 AFAERN COC(=O)[C@H]1C(C)=CCCC1(C)C 5766988 168121216 /nfs/dbraw/zinc/12/12/16/168121216.db2.gz NVAGRWXDIIKUBU-SECBINFHSA-N 0 0 182.263 2.542 10 0 AFAERN COC(=O)c1cc(Cl)c(C)cc1C 82724993 168129334 /nfs/dbraw/zinc/12/93/34/168129334.db2.gz DRJDILZXGZAKHP-UHFFFAOYSA-N 0 0 198.649 2.743 10 0 AFAERN COC(=O)c1ccc(C)c2occc12 144731022 168130714 /nfs/dbraw/zinc/13/07/14/168130714.db2.gz ZKGBQZKLKTXDFI-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN COC(=O)c1cc2ccsc2s1 39234697 168130805 /nfs/dbraw/zinc/13/08/05/168130805.db2.gz ULHTUXSICGIKSS-UHFFFAOYSA-N 0 0 198.268 2.749 10 0 AFAERN CC[C@H](C)[C@]1(O)C=CCCC1 135114742 343955293 /nfs/dbraw/zinc/95/52/93/343955293.db2.gz DZLGEKGORGNTAA-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN COC(=S)C1CCCCC1 34111661 168138690 /nfs/dbraw/zinc/13/86/90/168138690.db2.gz DAUZPCSBRGIHFG-UHFFFAOYSA-N 0 0 158.266 2.541 10 0 AFAERN COC(=O)n1ccc2cccc(C)c21 39125962 168138782 /nfs/dbraw/zinc/13/87/82/168138782.db2.gz TXKLQNLFZJLRNK-UHFFFAOYSA-N 0 0 189.214 2.564 10 0 AFAERN COC(=O)n1cc(C)c2ccccc21 14592124 168138792 /nfs/dbraw/zinc/13/87/92/168138792.db2.gz PLYOCHMABYWYHL-UHFFFAOYSA-N 0 0 189.214 2.564 10 0 AFAERN COC(=O)n1ccc2cc(C)ccc21 38212679 168139441 /nfs/dbraw/zinc/13/94/41/168139441.db2.gz RLZDMSMACOYMMH-UHFFFAOYSA-N 0 0 189.214 2.564 10 0 AFAERN COC(=O)n1c(C)cc2ccccc21 39128733 168139540 /nfs/dbraw/zinc/13/95/40/168139540.db2.gz GLIWPCSEQWGIRA-UHFFFAOYSA-N 0 0 189.214 2.564 10 0 AFAERN COC(=O)c1scc2ccccc12 71610736 168139561 /nfs/dbraw/zinc/13/95/61/168139561.db2.gz MQYKWPGUZRHJBF-UHFFFAOYSA-N 0 0 192.239 2.688 10 0 AFAERN COC(=S)SCC1CCCC1 39112081 168139860 /nfs/dbraw/zinc/13/98/60/168139860.db2.gz VDXHNGNDQUFBNT-UHFFFAOYSA-N 0 0 190.333 2.841 10 0 AFAERN COC(C)(C)Cc1ccccc1 5284401 168140681 /nfs/dbraw/zinc/14/06/81/168140681.db2.gz FCPGVHLQKIDMBH-UHFFFAOYSA-N 0 0 164.248 2.654 10 0 AFAERN COC(CCCc1ccccc1)OC 5355612 168140881 /nfs/dbraw/zinc/14/08/81/168140881.db2.gz LZKBOCQYEOVUNZ-UHFFFAOYSA-N 0 0 194.274 2.628 10 0 AFAERN COC(OC)c1cccc(Cl)c1 39381678 168142138 /nfs/dbraw/zinc/14/21/38/168142138.db2.gz RQDKAHBDYWLOFS-UHFFFAOYSA-N 0 0 186.638 2.631 10 0 in-vitro AFAERN COC(OC)[C@@H](C)c1ccc(C)cc1 33608344 168142286 /nfs/dbraw/zinc/14/22/86/168142286.db2.gz NHCQQYMXSJZMEO-JTQLQIEISA-N 0 0 194.274 2.717 10 0 AFAERN COC(OC)[C@H](C)c1ccc(C)cc1 33608346 168142479 /nfs/dbraw/zinc/14/24/79/168142479.db2.gz NHCQQYMXSJZMEO-SNVBAGLBSA-N 0 0 194.274 2.717 10 0 AFAERN COC12CCC(C)(CC1)CC2 2033881 168143359 /nfs/dbraw/zinc/14/33/59/168143359.db2.gz NXGYBOISDZEYCB-UHFFFAOYSA-N 0 0 154.253 2.746 10 0 AFAERN COC1(Nc2ccccc2C)CC1 39089978 168143714 /nfs/dbraw/zinc/14/37/14/168143714.db2.gz COQVYGAGWZAUSB-UHFFFAOYSA-N 0 0 177.247 2.543 10 0 AFAERN COC1=C(C)[C@@H]2CC(=O)[C@H]1CC2(C)C 45072245 168144925 /nfs/dbraw/zinc/14/49/25/168144925.db2.gz YBTYIYNNVHHXFR-BDAKNGLRSA-N 0 0 194.274 2.542 10 0 AFAERN COC=C1CC(C)(C)OC(C)(C)C1 117221508 168146910 /nfs/dbraw/zinc/14/69/10/168146910.db2.gz OSTFCTQUVACFKY-UHFFFAOYSA-N 0 0 184.279 2.884 10 0 AFAERN COCCC(=O)c1ccc(C)c(C)c1 36180383 168151677 /nfs/dbraw/zinc/15/16/77/168151677.db2.gz RDEKJSSFLCMLIS-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN COCCC(=O)c1cc(C)ccc1C 36180352 168151912 /nfs/dbraw/zinc/15/19/12/168151912.db2.gz GAXYFAVKWUCYNT-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN COCCC(=O)c1ccc(C)cc1C 36180323 168151931 /nfs/dbraw/zinc/15/19/31/168151931.db2.gz MZCUDGDFENUGDB-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN COCCCCC(=O)c1ccccc1 37754125 168152163 /nfs/dbraw/zinc/15/21/63/168152163.db2.gz GMRYZTZQKPZDLK-UHFFFAOYSA-N 0 0 192.258 2.686 10 0 in-vitro AFAERN COCCC(=O)c1cccc(C)c1C 41205929 168152518 /nfs/dbraw/zinc/15/25/18/168152518.db2.gz OVFFWXHAINLRAO-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN COCCC(=O)c1ccc(Cl)cc1 36179912 168152580 /nfs/dbraw/zinc/15/25/80/168152580.db2.gz YOROVIYKKWQZCQ-UHFFFAOYSA-N 0 0 198.649 2.559 10 0 AFAERN COCCC(=O)c1cccc(Cl)c1 41209579 168152637 /nfs/dbraw/zinc/15/26/37/168152637.db2.gz DCKVIXXBWAMTGM-UHFFFAOYSA-N 0 0 198.649 2.559 10 0 AFAERN COCCC(=O)c1ccccc1Cl 41209569 168152703 /nfs/dbraw/zinc/15/27/03/168152703.db2.gz YNKHRTDWEMJELP-UHFFFAOYSA-N 0 0 198.649 2.559 10 0 AFAERN COCCCC[C@H](O)c1ccccc1 43656401 168155138 /nfs/dbraw/zinc/15/51/38/168155138.db2.gz PYUKVGITDKFUJD-LBPRGKRZSA-N 0 0 194.274 2.537 10 0 AFAERN COCCCC[C@@H](O)c1ccccc1 43656403 168155377 /nfs/dbraw/zinc/15/53/77/168155377.db2.gz PYUKVGITDKFUJD-GFCCVEGCSA-N 0 0 194.274 2.537 10 0 AFAERN COCCCNc1cccc(F)c1C 43320588 168156077 /nfs/dbraw/zinc/15/60/77/168156077.db2.gz IBOHGMBNYIPRAH-UHFFFAOYSA-N 0 0 197.253 2.583 10 0 AFAERN COCCCNc1cccc(Cl)c1 37753704 168156152 /nfs/dbraw/zinc/15/61/52/168156152.db2.gz MGTGTSSNNHCBOY-UHFFFAOYSA-N 0 0 199.681 2.788 10 0 AFAERN COCCCNc1c(C)cccc1C 41206313 168156159 /nfs/dbraw/zinc/15/61/59/168156159.db2.gz UZFJFBBMDVKKGI-UHFFFAOYSA-N 0 0 193.290 2.752 10 0 AFAERN COCCCNc1ccc(Cl)cc1 37753706 168156426 /nfs/dbraw/zinc/15/64/26/168156426.db2.gz NGXZEZOGEBWPCI-UHFFFAOYSA-N 0 0 199.681 2.788 10 0 AFAERN COCCNc1cc(C)c(C)cc1C 82588768 168168868 /nfs/dbraw/zinc/16/88/68/168168868.db2.gz MCUZTMSKLOZQRS-UHFFFAOYSA-N 0 0 193.290 2.670 10 0 AFAERN COCCn1c(C)cc2ccccc21 34236902 168176189 /nfs/dbraw/zinc/17/61/89/168176189.db2.gz UFELSDKFBQVETC-UHFFFAOYSA-N 0 0 189.258 2.596 10 0 AFAERN COCOc1ccccc1C(C)(C)C 34450433 168178350 /nfs/dbraw/zinc/17/83/50/168178350.db2.gz KSPFVLMFHMROSO-UHFFFAOYSA-N 0 0 194.274 2.967 10 0 AFAERN COCSc1ccc(C(C)=O)cc1 58018246 168178399 /nfs/dbraw/zinc/17/83/99/168178399.db2.gz RPAPTWQCWFNGOS-UHFFFAOYSA-N 0 0 196.271 2.585 10 0 AFAERN COCOc1ccc2sccc2c1 89195350 168178802 /nfs/dbraw/zinc/17/88/02/168178802.db2.gz BIQGTAPHELZDMN-UHFFFAOYSA-N 0 0 194.255 2.884 10 0 AFAERN COC[C@@H](C)Nc1c(C)csc1C 6072115 168181515 /nfs/dbraw/zinc/18/15/15/168181515.db2.gz MKTFWDHZGUUGQZ-MRVPVSSYSA-N 0 0 199.319 2.812 10 0 AFAERN COC[C@@H](C)Nc1ccc(Cl)cc1 53172244 168183979 /nfs/dbraw/zinc/18/39/79/168183979.db2.gz OFOXYCADCSZLCS-MRVPVSSYSA-N 0 0 199.681 2.787 10 0 AFAERN COC[C@H](C)Nc1c(C)csc1C 6072114 168189188 /nfs/dbraw/zinc/18/91/88/168189188.db2.gz MKTFWDHZGUUGQZ-QMMMGPOBSA-N 0 0 199.319 2.812 10 0 AFAERN COC[C@H](C)Nc1ccc(Cl)cc1 53172242 168190432 /nfs/dbraw/zinc/19/04/32/168190432.db2.gz OFOXYCADCSZLCS-QMMMGPOBSA-N 0 0 199.681 2.787 10 0 AFAERN COCc1c(C)[nH]c2ccccc12 39270206 168193659 /nfs/dbraw/zinc/19/36/59/168193659.db2.gz IDHQELGPDXGOJR-UHFFFAOYSA-N 0 0 175.231 2.623 10 0 AFAERN COCc1cc2ccccc2o1 39136433 168194121 /nfs/dbraw/zinc/19/41/21/168194121.db2.gz VIENYOQVXILKTK-UHFFFAOYSA-N 0 0 162.188 2.579 10 0 AFAERN COCc1cccc2ccccc12 5701217 168194807 /nfs/dbraw/zinc/19/48/07/168194807.db2.gz RRCDOVBQOMYGGJ-UHFFFAOYSA-N 0 0 172.227 2.986 10 0 AFAERN COCc1ccc2nc(C)sc2c1 196889578 168194840 /nfs/dbraw/zinc/19/48/40/168194840.db2.gz XFMPMFMQLKDEHJ-UHFFFAOYSA-N 0 0 193.271 2.751 10 0 AFAERN COCc1cccc(-n2cccc2)c1 49511338 168194930 /nfs/dbraw/zinc/19/49/30/168194930.db2.gz JGDTVHXYZWOLFT-UHFFFAOYSA-N 0 0 187.242 2.624 10 0 AFAERN COCc1cccc(NC(C)C)c1 36918261 168194934 /nfs/dbraw/zinc/19/49/34/168194934.db2.gz CGEUCKCSZXLAJZ-UHFFFAOYSA-N 0 0 179.263 2.653 10 0 AFAERN COCc1ccc2sc(C)nc2c1 211713239 168194981 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CSc1cc(OC2CC2)cc(C)n1 95732416 168309514 /nfs/dbraw/zinc/30/95/14/168309514.db2.gz JPCRPNMZZXBQHD-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1cc2sccc2[nH]1 197008968 168309526 /nfs/dbraw/zinc/30/95/26/168309526.db2.gz NAPYLLAPAXYLAL-UHFFFAOYSA-N 0 0 169.274 2.951 10 0 AFAERN CSc1cc(Cl)cc(N)c1F 75926589 168309535 /nfs/dbraw/zinc/30/95/35/168309535.db2.gz VVHDOGQRGCIWKS-UHFFFAOYSA-N 0 0 191.658 2.783 10 0 AFAERN CSc1cc(C)oc1C(C)=O 34286612 168309552 /nfs/dbraw/zinc/30/95/52/168309552.db2.gz LERMFWCRFKZIOC-UHFFFAOYSA-N 0 0 170.233 2.513 10 0 AFAERN CS[C@H]1Nc2ccccc2S1 45285432 168309559 /nfs/dbraw/zinc/30/95/59/168309559.db2.gz LFQQXNDWBQWJRW-MRVPVSSYSA-N 0 0 183.301 2.851 10 0 AFAERN CSc1cc(O)ccc1Cl 95724945 168309613 /nfs/dbraw/zinc/30/96/13/168309613.db2.gz KFOOSZAEJSXBFW-UHFFFAOYSA-N 0 0 174.652 2.768 10 0 AFAERN CSc1c(Cl)ccc(N)c1F 75926583 168309633 /nfs/dbraw/zinc/30/96/33/168309633.db2.gz DCQXYSQIQBJZHY-UHFFFAOYSA-N 0 0 191.658 2.783 10 0 AFAERN CSc1cc(N)cc(OC2CC2)c1 95732283 168309744 /nfs/dbraw/zinc/30/97/44/168309744.db2.gz PWHSSUCUBUTCBB-UHFFFAOYSA-N 0 0 195.287 2.532 10 0 AFAERN CSc1cc(Cl)ccc1O 39419483 168309766 /nfs/dbraw/zinc/30/97/66/168309766.db2.gz NUNDJHWAFRVDIO-UHFFFAOYSA-N 0 0 174.652 2.768 10 0 AFAERN CSc1c(C=O)oc2ccccc12 75580832 168309778 /nfs/dbraw/zinc/30/97/78/168309778.db2.gz VCYSLIHQIAGHIQ-UHFFFAOYSA-N 0 0 192.239 2.967 10 0 AFAERN CSc1cc(C=O)cc(SC)c1 222900765 168309853 /nfs/dbraw/zinc/30/98/53/168309853.db2.gz QTSSIGNATVSPTK-UHFFFAOYSA-N 0 0 198.312 2.943 10 0 AFAERN CSc1[nH]c2ccccc2c1C=O 900735 168309937 /nfs/dbraw/zinc/30/99/37/168309937.db2.gz QSSMEVWVRIEBSR-UHFFFAOYSA-N 0 0 191.255 2.702 10 0 in-vitro AFAERN CSc1cc(O)cc(OC(C)C)c1 95721543 168310016 /nfs/dbraw/zinc/31/00/16/168310016.db2.gz BXAWHRPLQFLSPQ-UHFFFAOYSA-N 0 0 198.287 2.901 10 0 AFAERN CSc1cc(O)cc(Cl)c1 95720193 168310070 /nfs/dbraw/zinc/31/00/70/168310070.db2.gz ZLTTUZQTAMJLAG-UHFFFAOYSA-N 0 0 174.652 2.768 10 0 AFAERN CSc1cc(OC2CC2)c(C)cn1 95733486 168310085 /nfs/dbraw/zinc/31/00/85/168310085.db2.gz KWVXFSNZPWYPAB-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1c(N)cnc2ccccc12 34426728 168310093 /nfs/dbraw/zinc/31/00/93/168310093.db2.gz PXTYTUPYXKESGO-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CSc1cc(OC(C)C)ccc1O 95713154 168310142 /nfs/dbraw/zinc/31/01/42/168310142.db2.gz CNLVKMWDXUJKSK-UHFFFAOYSA-N 0 0 198.287 2.901 10 0 AFAERN CSc1ccc(-c2ncc[nH]2)cc1 89202752 168310144 /nfs/dbraw/zinc/31/01/44/168310144.db2.gz IUFJXFHLAXWHBO-UHFFFAOYSA-N 0 0 190.271 2.799 10 0 AFAERN CSc1ccc(O)c(OC(C)C)c1 95722454 168310275 /nfs/dbraw/zinc/31/02/75/168310275.db2.gz NPPIFGQYDVWSAP-UHFFFAOYSA-N 0 0 198.287 2.901 10 0 AFAERN CSc1ccc(C)cc1C=O 75547538 168310330 /nfs/dbraw/zinc/31/03/30/168310330.db2.gz ORJUTUPXGUUBJO-UHFFFAOYSA-N 0 0 166.245 2.529 10 0 AFAERN CSc1ccc(OC2CC2)cc1 95727974 168310503 /nfs/dbraw/zinc/31/05/03/168310503.db2.gz AGJDGCCVPQSYOX-UHFFFAOYSA-N 0 0 180.272 2.950 10 0 AFAERN CSc1ccc(O)c2ncccc12 75580218 168310568 /nfs/dbraw/zinc/31/05/68/168310568.db2.gz CFRIXQMNODCSRG-UHFFFAOYSA-N 0 0 191.255 2.662 10 0 AFAERN CSc1ccc(N)c(SC)c1 34768577 168310583 /nfs/dbraw/zinc/31/05/83/168310583.db2.gz LFPBPWQAGMVOBO-UHFFFAOYSA-N 0 0 185.317 2.713 10 0 AFAERN CSc1ccc(OC(C)C)cc1O 95712964 168310594 /nfs/dbraw/zinc/31/05/94/168310594.db2.gz RZVHYIBICUVFJM-UHFFFAOYSA-N 0 0 198.287 2.901 10 0 AFAERN CSc1ccc(OC2CC2)c(N)c1 95732933 168310661 /nfs/dbraw/zinc/31/06/61/168310661.db2.gz VYDVGLVZCULSGF-UHFFFAOYSA-N 0 0 195.287 2.532 10 0 AFAERN CSc1ccc(N)c2cnccc12 38063482 168310725 /nfs/dbraw/zinc/31/07/25/168310725.db2.gz CBARMCKDVVXWIS-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CSc1ccc(N)cc1OC1CC1 95732844 168310733 /nfs/dbraw/zinc/31/07/33/168310733.db2.gz JVSCBFHJIZSTLJ-UHFFFAOYSA-N 0 0 195.287 2.532 10 0 AFAERN CSc1ccc(C)cc1[C@@H](C)O 71454314 168310749 /nfs/dbraw/zinc/31/07/49/168310749.db2.gz YUFDWVWIZQCTIM-MRVPVSSYSA-N 0 0 182.288 2.770 10 0 AFAERN CSc1ccc(N)c2cccnc12 38063460 168310756 /nfs/dbraw/zinc/31/07/56/168310756.db2.gz ZLCIBUIXDKSDPH-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CSc1ccc(N)c2ncccc12 38063477 168310867 /nfs/dbraw/zinc/31/08/67/168310867.db2.gz AQFZKZXLYAFIFY-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CSc1ccc(C(C)(C)CO)cc1 83265101 168310903 /nfs/dbraw/zinc/31/09/03/168310903.db2.gz ZUTVXJDKTNILCP-UHFFFAOYSA-N 0 0 196.315 2.678 10 0 AFAERN CSc1ccc(OC2CC2)cc1N 95733014 168310921 /nfs/dbraw/zinc/31/09/21/168310921.db2.gz INNILEFCTMEKIJ-UHFFFAOYSA-N 0 0 195.287 2.532 10 0 AFAERN CSc1ccc(O)c(SC)c1 75577413 168311032 /nfs/dbraw/zinc/31/10/32/168311032.db2.gz ALTBDYBDBRPBGJ-UHFFFAOYSA-N 0 0 186.301 2.836 10 0 in-vitro AFAERN CSc1ccc(C)cc1[C@H](C)O 71454315 168311097 /nfs/dbraw/zinc/31/10/97/168311097.db2.gz YUFDWVWIZQCTIM-QMMMGPOBSA-N 0 0 182.288 2.770 10 0 AFAERN CSc1ccc(OC2CC2)c(C)n1 95732885 168311108 /nfs/dbraw/zinc/31/11/08/168311108.db2.gz LZUBLFQNYVLUQS-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1ccc(SC)nc1 39194196 168311142 /nfs/dbraw/zinc/31/11/42/168311142.db2.gz HNLSWMYUGDMYAY-UHFFFAOYSA-N 0 0 171.290 2.525 10 0 AFAERN CSc1ccc(OC(C)C)c(O)c1 95721318 168311204 /nfs/dbraw/zinc/31/12/04/168311204.db2.gz QPEDJHGFGQBRLL-UHFFFAOYSA-N 0 0 198.287 2.901 10 0 AFAERN CSc1ccc(Cl)cc1O 71454251 168311208 /nfs/dbraw/zinc/31/12/08/168311208.db2.gz HDEVORQTZWRIRA-UHFFFAOYSA-N 0 0 174.652 2.768 10 0 AFAERN CSc1ccc(N)c(OC2CC2)c1 95732327 168311271 /nfs/dbraw/zinc/31/12/71/168311271.db2.gz HKHDIGQMMYUWFO-UHFFFAOYSA-N 0 0 195.287 2.532 10 0 AFAERN CSc1ccc(C)c(O)c1C 39419491 168311304 /nfs/dbraw/zinc/31/13/04/168311304.db2.gz CLQMHJYXVYTCPF-UHFFFAOYSA-N 0 0 168.261 2.731 10 0 AFAERN CSc1ccc(F)cc1C(C)=O 38063738 168311338 /nfs/dbraw/zinc/31/13/38/168311338.db2.gz YNKFTPAAOVWCGA-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN CSc1ccc(O)cc1OC(C)C 95724356 168311340 /nfs/dbraw/zinc/31/13/40/168311340.db2.gz BJORQYDJYOWPOI-UHFFFAOYSA-N 0 0 198.287 2.901 10 0 AFAERN CSc1ccc(Cl)c(O)c1 95723070 168311386 /nfs/dbraw/zinc/31/13/86/168311386.db2.gz BHKCGPUZTCNWHD-UHFFFAOYSA-N 0 0 174.652 2.768 10 0 AFAERN CSc1ccc(/C=C\[N+](=O)[O-])cc1 33363565 168311399 /nfs/dbraw/zinc/31/13/99/168311399.db2.gz LMSZTOUHOKERPN-SREVYHEPSA-N 0 0 195.243 2.656 10 0 AFAERN CSc1ccc(OC(C)=O)cc1C 1700861 168311443 /nfs/dbraw/zinc/31/14/43/168311443.db2.gz DVMLSOIBVZINOH-UHFFFAOYSA-N 0 0 196.271 2.642 10 0 AFAERN CSc1ccc(O)cc1SC 59590731 168311514 /nfs/dbraw/zinc/31/15/14/168311514.db2.gz VKFBRILFIAJKMY-UHFFFAOYSA-N 0 0 186.301 2.836 10 0 AFAERN CSc1ccc(N)cc1SC 75576983 168311555 /nfs/dbraw/zinc/31/15/55/168311555.db2.gz NOYIELQFZGUWCG-UHFFFAOYSA-N 0 0 185.317 2.713 10 0 AFAERN CSc1cccc(OC(C)C)c1O 95721373 168311776 /nfs/dbraw/zinc/31/17/76/168311776.db2.gz ZUCUHLORLXCMPU-UHFFFAOYSA-N 0 0 198.287 2.901 10 0 AFAERN CSc1ccc2[nH]c(=S)[nH]c2c1 34722119 168311841 /nfs/dbraw/zinc/31/18/41/168311841.db2.gz ZNNNEAZGZYEQFW-UHFFFAOYSA-N 0 0 196.300 2.947 10 0 AFAERN CSc1ccccc1/C=C/[N+](=O)[O-] 73836685 168311851 /nfs/dbraw/zinc/31/18/51/168311851.db2.gz LDYHAWUIYCTPRW-VOTSOKGWSA-N 0 0 195.243 2.656 10 0 AFAERN CSc1ccc2cc(N)ccc2n1 38063476 168311897 /nfs/dbraw/zinc/31/18/97/168311897.db2.gz KZCOAPYLZOZLJX-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CSc1cccc(N)c1OC1CC1 95733078 168311911 /nfs/dbraw/zinc/31/19/11/168311911.db2.gz WTEBMBQMQXBYNI-UHFFFAOYSA-N 0 0 195.287 2.532 10 0 AFAERN CSc1cccc(C)c1F 39088690 168311982 /nfs/dbraw/zinc/31/19/82/168311982.db2.gz MBTVCBHLXYHXOP-UHFFFAOYSA-N 0 0 156.225 2.856 10 0 AFAERN CSc1ccc2ccc(N)nc2c1 75579929 168312039 /nfs/dbraw/zinc/31/20/39/168312039.db2.gz DIAACLPSSUQILV-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CSc1ccc2c(c1)NC[C@@H](C)O2 74540823 168312101 /nfs/dbraw/zinc/31/21/01/168312101.db2.gz KDCIDNVHMKSCQE-SSDOTTSWSA-N 0 0 195.287 2.601 10 0 AFAERN CSc1ccc2c(c1)C[C@@H](C)N2 66346234 168312172 /nfs/dbraw/zinc/31/21/72/168312172.db2.gz YVFKIAPZSAEOFJ-SSDOTTSWSA-N 0 0 179.288 2.765 10 0 AFAERN CSc1ccc2scnc2c1N 38063483 168312316 /nfs/dbraw/zinc/31/23/16/168312316.db2.gz XTUCXDZFIZWLNQ-UHFFFAOYSA-N 0 0 196.300 2.600 10 0 AFAERN CSc1ccc2ncccc2c1N 38063490 168312334 /nfs/dbraw/zinc/31/23/34/168312334.db2.gz FKOXWAMEBALEHI-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CSc1ccc2sc(N)nc2c1 45236467 168312441 /nfs/dbraw/zinc/31/24/41/168312441.db2.gz STGOCRXYXKZBMD-UHFFFAOYSA-N 0 0 196.300 2.600 10 0 AFAERN CSc1cccc(CC(C)=O)c1 82873091 168312447 /nfs/dbraw/zinc/31/24/47/168312447.db2.gz QEILDTHLINQHSY-UHFFFAOYSA-N 0 0 180.272 2.540 10 0 AFAERN CSc1ccc2c(c1)C[C@H](C)N2 66346237 168312458 /nfs/dbraw/zinc/31/24/58/168312458.db2.gz YVFKIAPZSAEOFJ-ZETCQYMHSA-N 0 0 179.288 2.765 10 0 AFAERN CSc1cccc(SC)c1O 39419489 168312493 /nfs/dbraw/zinc/31/24/93/168312493.db2.gz XTFWJPDPOBWEFE-UHFFFAOYSA-N 0 0 186.301 2.836 10 0 AFAERN CSc1ccccc1OC1CC1 95719961 168312498 /nfs/dbraw/zinc/31/24/98/168312498.db2.gz XUHXBRRFFZKSRK-UHFFFAOYSA-N 0 0 180.272 2.950 10 0 AFAERN CSc1cccc(F)c1C(C)=O 38063739 168312500 /nfs/dbraw/zinc/31/25/00/168312500.db2.gz ADEPCJHBJMMHFJ-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN CSc1ccnc(C)c1OC1CC1 95733174 168312514 /nfs/dbraw/zinc/31/25/14/168312514.db2.gz KGJVBKXGLADVFE-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1cccc(C(C)=O)c1F 75925110 168312518 /nfs/dbraw/zinc/31/25/18/168312518.db2.gz YWNMONUSJRWURJ-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN CSc1ccc2[nH]cc(C=O)c2c1 82389527 168312533 /nfs/dbraw/zinc/31/25/33/168312533.db2.gz UDYLAPUUURIXJX-UHFFFAOYSA-N 0 0 191.255 2.702 10 0 AFAERN CSc1ccc2cccnc2c1N 39239876 168312583 /nfs/dbraw/zinc/31/25/83/168312583.db2.gz SNFPRAVQJHXDAH-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CSc1cccc(Cl)c1N 32299690 168312757 /nfs/dbraw/zinc/31/27/57/168312757.db2.gz WCMJPIPJGKVMMY-UHFFFAOYSA-N 0 0 173.668 2.644 10 0 AFAERN CSc1ccc2c(C=O)c[nH]c2c1 82389536 168312763 /nfs/dbraw/zinc/31/27/63/168312763.db2.gz OQDVLSUWPZPFRF-UHFFFAOYSA-N 0 0 191.255 2.702 10 0 AFAERN CSc1ccc2oc(C=O)cc2c1 90556964 168312807 /nfs/dbraw/zinc/31/28/07/168312807.db2.gz FNDZITAQYLIKPD-UHFFFAOYSA-N 0 0 192.239 2.967 10 0 AFAERN CSc1cccc(Cl)c1O 90156985 168312883 /nfs/dbraw/zinc/31/28/83/168312883.db2.gz GGHLLWUJISDNBY-UHFFFAOYSA-N 0 0 174.652 2.768 10 0 AFAERN CSc1cccc(-c2c[nH]cn2)c1 40380760 168313090 /nfs/dbraw/zinc/31/30/90/168313090.db2.gz PWBYIFDHOLCAGB-UHFFFAOYSA-N 0 0 190.271 2.799 10 0 AFAERN CSc1ccc2cccc(N)c2n1 75579922 168313136 /nfs/dbraw/zinc/31/31/36/168313136.db2.gz RNVZOEIBVGYAOO-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CSc1ccccc1-c1ncc[nH]1 89202498 168313172 /nfs/dbraw/zinc/31/31/72/168313172.db2.gz NJOSRIUYJLYDOW-UHFFFAOYSA-N 0 0 190.271 2.799 10 0 AFAERN CSc1cccc(O)c1OC(C)C 95724676 168313224 /nfs/dbraw/zinc/31/32/24/168313224.db2.gz RTTPPZPXUUIORF-UHFFFAOYSA-N 0 0 198.287 2.901 10 0 AFAERN CSc1cccc(OC2CC2)c1N 95733122 168313259 /nfs/dbraw/zinc/31/32/59/168313259.db2.gz CEYUDKSSMZJPIR-UHFFFAOYSA-N 0 0 195.287 2.532 10 0 AFAERN CSc1cccc(O)c1Cl 95722898 168313269 /nfs/dbraw/zinc/31/32/69/168313269.db2.gz JKCHYBIRQGQJIB-UHFFFAOYSA-N 0 0 174.652 2.768 10 0 AFAERN CSc1ccccc1-c1c[nH]cn1 40380256 168313280 /nfs/dbraw/zinc/31/32/80/168313280.db2.gz RRURLMAVQLDCAA-UHFFFAOYSA-N 0 0 190.271 2.799 10 0 AFAERN CSc1ccc2c(c1)NC[C@H](C)O2 74540824 168313292 /nfs/dbraw/zinc/31/32/92/168313292.db2.gz KDCIDNVHMKSCQE-ZETCQYMHSA-N 0 0 195.287 2.601 10 0 AFAERN CSc1cccc(OC2CC2)c1 95712938 168313323 /nfs/dbraw/zinc/31/33/23/168313323.db2.gz YKLAJVBLCPRHDD-UHFFFAOYSA-N 0 0 180.272 2.950 10 0 AFAERN CSc1cnc(C)c(OC2CC2)c1 95733229 168313568 /nfs/dbraw/zinc/31/35/68/168313568.db2.gz ZPPZWAHHKKVQIP-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1nc(C)ccc1OC1CC1 95733409 168313746 /nfs/dbraw/zinc/31/37/46/168313746.db2.gz GVZQAMUWHKVHFU-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1cnc(C)cc1OC1CC1 95733233 168313783 /nfs/dbraw/zinc/31/37/83/168313783.db2.gz RUKUYPCBHJRPHN-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1nc(Cl)cs1 34743086 168314112 /nfs/dbraw/zinc/31/41/12/168314112.db2.gz UZMYGWGNRXBNTO-UHFFFAOYSA-N 0 0 165.670 2.518 10 0 AFAERN CSc1nc2cc(O)ccc2s1 45235889 168314307 /nfs/dbraw/zinc/31/43/07/168314307.db2.gz PSFJZLDNNULBCX-UHFFFAOYSA-N 0 0 197.284 2.724 10 0 AFAERN CSc1cncc(OC2CC2)c1C 95733328 168315000 /nfs/dbraw/zinc/31/50/00/168315000.db2.gz YLIIAPATPCPVKR-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1cncc2ccccc12 15781140 168315394 /nfs/dbraw/zinc/31/53/94/168315394.db2.gz LJJYUBRSIWDHPJ-UHFFFAOYSA-N 0 0 175.256 2.957 10 0 AFAERN CSc1cncc(C)c1OC1CC1 95733299 168315403 /nfs/dbraw/zinc/31/54/03/168315403.db2.gz NZQJWZFWODMZQZ-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1cnc(Cl)cc1C 95616437 168315424 /nfs/dbraw/zinc/31/54/24/168315424.db2.gz VJGRISYPDKUAPT-UHFFFAOYSA-N 0 0 173.668 2.765 10 0 AFAERN CSc1nccc(C)c1OC1CC1 95733689 168315781 /nfs/dbraw/zinc/31/57/81/168315781.db2.gz DTHPHQBXMQSIII-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1ncc(OC2CC2)cc1C 95733601 168316097 /nfs/dbraw/zinc/31/60/97/168316097.db2.gz FFWYGHFQDPWLIX-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1ncc(C(C)C)nc1C 32166284 168316167 /nfs/dbraw/zinc/31/61/67/168316167.db2.gz KDTCGKNUJMPSDM-UHFFFAOYSA-N 0 0 182.292 2.630 10 0 AFAERN CSc1ncc(CC(C)C)nc1C 26670717 168316757 /nfs/dbraw/zinc/31/67/57/168316757.db2.gz OYANNTFZVSVJHE-UHFFFAOYSA-N 0 0 196.319 2.705 10 0 AFAERN CSc1nc2ncc(C)cc2s1 89229317 168316871 /nfs/dbraw/zinc/31/68/71/168316871.db2.gz LDUAGZNXEHWTCZ-UHFFFAOYSA-N 0 0 196.300 2.722 10 0 AFAERN CSc1nccc(OC2CC2)c1C 95733715 168317008 /nfs/dbraw/zinc/31/70/08/168317008.db2.gz COGBHZACVVOXSO-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN CSc1ncc(C)cc1OC1CC1 95733490 168317019 /nfs/dbraw/zinc/31/70/19/168317019.db2.gz YMJUATBEJJRYEC-UHFFFAOYSA-N 0 0 195.287 2.653 10 0 AFAERN C[C@@H](/C=C/[N+](=O)[O-])c1ccccc1 36448209 168317332 /nfs/dbraw/zinc/31/73/32/168317332.db2.gz PFFNNKWSCVPPIW-FLOXNTQESA-N 0 0 177.203 2.581 10 0 AFAERN CSc1scc(C)c1C(C)=O 125036 168318229 /nfs/dbraw/zinc/31/82/29/168318229.db2.gz OVMQBGWJZPONHM-UHFFFAOYSA-N 0 0 186.301 2.981 10 0 AFAERN CSc1oc2ccccc2c1C=O 75580831 168318443 /nfs/dbraw/zinc/31/84/43/168318443.db2.gz CIZAIMWVOHQHSJ-UHFFFAOYSA-N 0 0 192.239 2.967 10 0 AFAERN C[C@@H](C(=O)N[C@@H]1CC1(C)C)C(C)(C)C 335132491 168326073 /nfs/dbraw/zinc/32/60/73/168326073.db2.gz FXAKNWILTZWNLE-DTWKUNHWSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@@H](C1CCCCC1)n1nccc1N 37366984 168330692 /nfs/dbraw/zinc/33/06/92/168330692.db2.gz KLJVEFFOFBTOFR-VIFPVBQESA-N 0 0 193.294 2.607 10 0 AFAERN C[C@@H](C1CC1)N(C)c1cccc(N)c1 36783225 168330734 /nfs/dbraw/zinc/33/07/34/168330734.db2.gz IUCQWSDQRKGDKD-VIFPVBQESA-N 0 0 190.290 2.504 10 0 AFAERN C[C@@H](C1CC1)N(C)c1ccccc1N 36783271 168330765 /nfs/dbraw/zinc/33/07/65/168330765.db2.gz QFFBWVSEQOTRIF-VIFPVBQESA-N 0 0 190.290 2.504 10 0 AFAERN C[C@@H](C1CC1)n1cc[nH]c1=S 35733868 168331202 /nfs/dbraw/zinc/33/12/02/168331202.db2.gz ZAOVEJFFWKNUNU-LURJTMIESA-N 0 0 168.265 2.517 10 0 AFAERN C[C@@H](CC(C)(C)C)C(=O)N1CCCC1 334374613 168335041 /nfs/dbraw/zinc/33/50/41/168335041.db2.gz CYJWQSBKTYMFLX-JTQLQIEISA-N 0 0 197.322 2.681 10 0 AFAERN C[C@@H](CC1CCCCC1)[C@@H](C)O 6020445 168335330 /nfs/dbraw/zinc/33/53/30/168335330.db2.gz UNFLPVPOSGWAPY-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H](CC1OCCO1)c1ccccc1 3164764 168335488 /nfs/dbraw/zinc/33/54/88/168335488.db2.gz ZGLFBEXSTYWJSR-JTQLQIEISA-N 0 0 192.258 2.553 10 0 AFAERN C[C@@H](CCCCC(C)(C)C)C(N)=O 98091136 168338239 /nfs/dbraw/zinc/33/82/39/168338239.db2.gz IVBCEQMBDBTXCQ-VIFPVBQESA-N 0 0 185.311 2.714 10 0 AFAERN C[C@@H](CCc1ccccc1)[C@@H](C)O 38613442 168338822 /nfs/dbraw/zinc/33/88/22/168338822.db2.gz PRCGAVVRFUPYKL-WDEREUQCSA-N 0 0 178.275 2.636 10 0 AFAERN C[C@@H](CCO)c1ccccc1Cl 41202930 168338900 /nfs/dbraw/zinc/33/89/00/168338900.db2.gz CGXUBQQLNMRJAZ-QMMMGPOBSA-N 0 0 184.666 2.826 10 0 AFAERN C[C@@H](CCO)C1CCCCC1 38634148 168339575 /nfs/dbraw/zinc/33/95/75/168339575.db2.gz XHKHXJPTSALKON-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN C[C@@H](CCO)c1cccc(Cl)c1 41202936 168339669 /nfs/dbraw/zinc/33/96/69/168339669.db2.gz ZRVPJKJDQPOMOE-QMMMGPOBSA-N 0 0 184.666 2.826 10 0 AFAERN C[C@@H](CCO)c1ccc(Cl)s1 41205132 168339794 /nfs/dbraw/zinc/33/97/94/168339794.db2.gz KSGMXLWBDCFCEL-LURJTMIESA-N 0 0 190.695 2.887 10 0 AFAERN C[C@@H](CCOC=O)CC(C)(C)C 6020636 168339857 /nfs/dbraw/zinc/33/98/57/168339857.db2.gz MMANPPDMMOUQIX-VIFPVBQESA-N 0 0 172.268 2.622 10 0 AFAERN C[C@@H](CCO)c1ccc2c(c1)CCC2 41205082 168340232 /nfs/dbraw/zinc/34/02/32/168340232.db2.gz QGRXGTHGFJAMCD-JTQLQIEISA-N 0 0 190.286 2.661 10 0 AFAERN C[C@@H](CO)CCCc1ccccc1 77039633 168347926 /nfs/dbraw/zinc/34/79/26/168347926.db2.gz DRTBYQJIHFSKDT-LLVKDONJSA-N 0 0 178.275 2.638 10 0 AFAERN C[C@@H](CO)C12CC3CC(CC(C3)C1)C2 84348487 168348900 /nfs/dbraw/zinc/34/89/00/168348900.db2.gz SHTQGIUWCSSHLR-TWJXAIAZSA-N 0 0 194.318 2.831 10 0 AFAERN C[C@@H](CO)C[C@@H](C)c1ccccc1 33610602 168349341 /nfs/dbraw/zinc/34/93/41/168349341.db2.gz SXGYZCMGVZKIPJ-GHMZBOCLSA-N 0 0 178.275 2.809 10 0 AFAERN C[C@@H](C[C@@H](C)O)c1ccccc1 33606746 168351984 /nfs/dbraw/zinc/35/19/84/168351984.db2.gz LPZYYWRJFDZTJI-VHSXEESVSA-N 0 0 164.248 2.561 10 0 AFAERN C[C@@H](CO)c1cccc2ccccc12 34101929 168352004 /nfs/dbraw/zinc/35/20/04/168352004.db2.gz YZMWRFOKAISJQX-JTQLQIEISA-N 0 0 186.254 2.936 10 0 AFAERN C[C@@H](CO)S[C@@H]1CCC(C)(C)C1 335654627 168352290 /nfs/dbraw/zinc/35/22/90/168352290.db2.gz WYHRQNVHEKZHBR-DTWKUNHWSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H](CO)S[C@H]1CCC(C)(C)C1 335654628 168352393 /nfs/dbraw/zinc/35/23/93/168352393.db2.gz WYHRQNVHEKZHBR-IUCAKERBSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H](C[C@@H](C)CO)c1ccccc1 33610604 168352541 /nfs/dbraw/zinc/35/25/41/168352541.db2.gz SXGYZCMGVZKIPJ-MNOVXSKESA-N 0 0 178.275 2.809 10 0 AFAERN C[C@@H](CO)c1ccc2c(c1)CCCC2 41205074 168352599 /nfs/dbraw/zinc/35/25/99/168352599.db2.gz UENYDWBFWZFNPJ-JTQLQIEISA-N 0 0 190.286 2.661 10 0 AFAERN C[C@@H](Cc1ccco1)n1cccc1 42593104 168353999 /nfs/dbraw/zinc/35/39/99/168353999.db2.gz GMGCMFUQXXFQBQ-JTQLQIEISA-N 0 0 175.231 2.885 10 0 AFAERN C[C@@H](Cc1cccc(Cl)c1)[C@@H](C)O 41209617 168354701 /nfs/dbraw/zinc/35/47/01/168354701.db2.gz SECJMVQTNGCYNK-DTWKUNHWSA-N 0 0 198.693 2.899 10 0 AFAERN C[C@@H](N(C)C(=O)C1=CCC1)C(C)(C)C 334214613 168356779 /nfs/dbraw/zinc/35/67/79/168356779.db2.gz DTNATJKFWHWRQX-SECBINFHSA-N 0 0 195.306 2.600 10 0 AFAERN C[C@@H](N)c1nc2cc(Cl)ccc2o1 34939394 168371522 /nfs/dbraw/zinc/37/15/22/168371522.db2.gz CGTCUVZBNDTAMR-RXMQYKEDSA-N 0 0 196.637 2.501 10 0 AFAERN C[C@@H](N)c1nc2ccc(Cl)cc2o1 75845374 168371831 /nfs/dbraw/zinc/37/18/31/168371831.db2.gz OXDLUUFXOMFERA-RXMQYKEDSA-N 0 0 196.637 2.501 10 0 AFAERN Cc1c(C2CC2)nc2n1CC[C@@H](C)C2 135891961 343971048 /nfs/dbraw/zinc/97/10/48/343971048.db2.gz HPOAODZRAPKCEE-MRVPVSSYSA-N 0 0 190.290 2.651 10 0 AFAERN C[C@H]1CCCc2nc(C3(C)CC3)cn21 135911430 343971629 /nfs/dbraw/zinc/97/16/29/343971629.db2.gz VDWYMQMMSUOHKX-VIFPVBQESA-N 0 0 190.290 2.832 10 0 AFAERN C[C@@H](NO)c1ccc2c(c1)CCCC2 19728784 168383876 /nfs/dbraw/zinc/38/38/76/168383876.db2.gz LAJCJXQIRYVQKT-SECBINFHSA-N 0 0 191.274 2.605 10 0 AFAERN C[C@@H](Nc1cn[nH]c1)C1CCCCC1 37260806 168385169 /nfs/dbraw/zinc/38/51/69/168385169.db2.gz BOGCMOJWAYILHI-SECBINFHSA-N 0 0 193.294 2.790 10 0 AFAERN C[C@@H](Nc1cccnc1Cl)C1CC1 36982889 168385189 /nfs/dbraw/zinc/38/51/89/168385189.db2.gz VIFFCDPMMGPGKY-SSDOTTSWSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H](Nc1cc(F)ccc1N)C1CC1 52120291 168385312 /nfs/dbraw/zinc/38/53/12/168385312.db2.gz LAINYATYNMWGTE-SSDOTTSWSA-N 0 0 194.253 2.618 10 0 AFAERN C[C@@H](Nc1cn[nH]c1)c1ccsc1 50340364 168385334 /nfs/dbraw/zinc/38/53/34/168385334.db2.gz ZQWYGKMTMBPUDT-SSDOTTSWSA-N 0 0 193.275 2.644 10 0 AFAERN C[C@@H](Nc1cccnc1)c1ccccn1 19884271 168385339 /nfs/dbraw/zinc/38/53/39/168385339.db2.gz WHSJQKPZDIIKGT-SNVBAGLBSA-N 0 0 199.257 2.650 10 0 AFAERN C[C@@H](Nc1cn[nH]c1)c1cccs1 35763937 168385389 /nfs/dbraw/zinc/38/53/89/168385389.db2.gz VFSCHKDKPNLONO-SSDOTTSWSA-N 0 0 193.275 2.644 10 0 AFAERN C[C@@H](Nc1cccnn1)c1ccccc1 52815846 168385421 /nfs/dbraw/zinc/38/54/21/168385421.db2.gz AXJNKLPIJGWYOH-SNVBAGLBSA-N 0 0 199.257 2.650 10 0 AFAERN C[C@@H](Nc1cccnc1)C1(C)CC1 37467545 168385584 /nfs/dbraw/zinc/38/55/84/168385584.db2.gz PPTHWLUTWRDWJS-SECBINFHSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@@H](Nc1cc(N)cc(F)c1)C1CC1 37667996 168385635 /nfs/dbraw/zinc/38/56/35/168385635.db2.gz RQLCOCWMHWDXFF-SSDOTTSWSA-N 0 0 194.253 2.618 10 0 AFAERN C[C@@H](Nc1cccnc1)c1ccncc1 19884275 168385646 /nfs/dbraw/zinc/38/56/46/168385646.db2.gz JACTWQBJCRWJSN-SNVBAGLBSA-N 0 0 199.257 2.650 10 0 AFAERN C[C@@H](Nc1cn[nH]c1)c1ccccc1 35763980 168385661 /nfs/dbraw/zinc/38/56/61/168385661.db2.gz HIJJOXUJEIRBDL-SECBINFHSA-N 0 0 187.246 2.583 10 0 AFAERN C[C@@H](Nc1cccc(F)c1N)C1CC1 37419664 168385694 /nfs/dbraw/zinc/38/56/94/168385694.db2.gz DMCNCUYVLWRCPO-SSDOTTSWSA-N 0 0 194.253 2.618 10 0 AFAERN C[C@@H](Nc1cccc(O)c1)C1(C)CC1 36984395 168385818 /nfs/dbraw/zinc/38/58/18/168385818.db2.gz XKLRWBUVACKNAJ-SECBINFHSA-N 0 0 191.274 2.993 10 0 AFAERN C[C@@H](Nc1cccnc1)c1ccco1 19884309 168386008 /nfs/dbraw/zinc/38/60/08/168386008.db2.gz LQVDFXYYYIQIIU-SECBINFHSA-N 0 0 188.230 2.848 10 0 AFAERN C[C@@H](Nc1ccccn1)c1ccncc1 35122262 168386026 /nfs/dbraw/zinc/38/60/26/168386026.db2.gz UGAACOUVQGNFLE-SNVBAGLBSA-N 0 0 199.257 2.650 10 0 AFAERN C[C@@H](Nc1ccc(O)cc1)C1(C)CC1 37131983 168386059 /nfs/dbraw/zinc/38/60/59/168386059.db2.gz MJIVDLPLYOSYLO-SECBINFHSA-N 0 0 191.274 2.993 10 0 AFAERN C[C@@H](Nc1cccnc1)c1cccnc1 19884278 168386164 /nfs/dbraw/zinc/38/61/64/168386164.db2.gz QTSLALXIQLSGQD-SNVBAGLBSA-N 0 0 199.257 2.650 10 0 AFAERN C[C@@H](Nc1ccc(O)cc1)C1CC1 37132093 168386355 /nfs/dbraw/zinc/38/63/55/168386355.db2.gz WFWUIVCNWJWPMT-MRVPVSSYSA-N 0 0 177.247 2.603 10 0 AFAERN C[C@@H](Nc1ccncn1)c1ccccc1 40862903 168386484 /nfs/dbraw/zinc/38/64/84/168386484.db2.gz OBQQVGJPTVVWBC-SNVBAGLBSA-N 0 0 199.257 2.650 10 0 AFAERN C[C@@H](Nc1ccc(N)cc1F)C1CC1 35733441 168386514 /nfs/dbraw/zinc/38/65/14/168386514.db2.gz BHCSZCANRVDHTL-SSDOTTSWSA-N 0 0 194.253 2.618 10 0 AFAERN C[C@@H](Nc1cccc(O)c1)C1CC1 20193549 168386542 /nfs/dbraw/zinc/38/65/42/168386542.db2.gz NEWSCUNXMORJNU-MRVPVSSYSA-N 0 0 177.247 2.603 10 0 AFAERN C[C@@H](Nc1ccccc1)c1cc[nH]n1 37906318 168386565 /nfs/dbraw/zinc/38/65/65/168386565.db2.gz VQUIYTQZHFJJOR-SECBINFHSA-N 0 0 187.246 2.583 10 0 AFAERN C[C@@H](O)/C=C/C1CCCCC1 38220308 168386816 /nfs/dbraw/zinc/38/68/16/168386816.db2.gz YZVAHJQHXUSGJH-FCZSHJHJSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H](O)/C=C/c1ccc(Cl)cc1 34583163 168386947 /nfs/dbraw/zinc/38/69/47/168386947.db2.gz FBQMXUBIFKPRNV-UFUPEUMYSA-N 0 0 182.650 2.734 10 0 AFAERN C[C@@H](O)/C=C/c1ccccc1Cl 77270322 168387366 /nfs/dbraw/zinc/38/73/66/168387366.db2.gz GAIQTSQMEVWQPU-HYDMIIDASA-N 0 0 182.650 2.734 10 0 AFAERN C[C@@H](O)/C=C/c1c[nH]c2ccccc12 77273707 168387595 /nfs/dbraw/zinc/38/75/95/168387595.db2.gz QBHCJOIEPQYYSG-XCODYQFDSA-N 0 0 187.242 2.562 10 0 AFAERN C[C@@H](O)/C=C/c1ccc2ccccc2n1 161890 168387814 /nfs/dbraw/zinc/38/78/14/168387814.db2.gz ADKSCVCKVNMDDX-QEHWCHDUSA-N 0 0 199.253 2.629 10 0 AFAERN C[C@@H](O)/C=C/c1cccc(Cl)c1 77270332 168387947 /nfs/dbraw/zinc/38/79/47/168387947.db2.gz VHXNUFWCWSTIFY-HQZHTGGTSA-N 0 0 182.650 2.734 10 0 AFAERN C[C@@H](Nc1nccs1)c1ccco1 35135130 168388015 /nfs/dbraw/zinc/38/80/15/168388015.db2.gz MPOHCUWUHFZUIM-SSDOTTSWSA-N 0 0 194.259 2.909 10 0 AFAERN C[C@@H](O)CCCCOc1ccccc1 45621587 168388506 /nfs/dbraw/zinc/38/85/06/168388506.db2.gz YQLPMVKIQGWWDZ-LLVKDONJSA-N 0 0 194.274 2.617 10 0 AFAERN C[C@@H](O)C1=CCCCCCC1 164616366 168389012 /nfs/dbraw/zinc/38/90/12/168389012.db2.gz SOJVYOYNGOHUBT-SECBINFHSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H](O)CC(C)(C)C1CCC1 18676887 168389322 /nfs/dbraw/zinc/38/93/22/168389322.db2.gz QXRPBJIAFXJCFM-MRVPVSSYSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H](O)CCCCc1ccccc1 43656828 168389499 /nfs/dbraw/zinc/38/94/99/168389499.db2.gz LNSWZXFVGLLXKC-LLVKDONJSA-N 0 0 178.275 2.780 10 0 AFAERN C[C@@H](O)CCSCc1ccccc1 134072723 168389660 /nfs/dbraw/zinc/38/96/60/168389660.db2.gz QNLMCPIIUNMSQO-SNVBAGLBSA-N 0 0 196.315 2.691 10 0 AFAERN C[C@@H](O)CCCC(C)(C)C 34183508 168389768 /nfs/dbraw/zinc/38/97/68/168389768.db2.gz UFAFXLWYHVXDTN-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN C[C@@H](O)CC(C)(C)C(C)(C)C 17413419 168390107 /nfs/dbraw/zinc/39/01/07/168390107.db2.gz MPOBLDOHOWLLHG-MRVPVSSYSA-N 0 0 158.285 2.830 10 0 AFAERN C[C@@H](O)CCc1ccccc1Cl 44469639 168390934 /nfs/dbraw/zinc/39/09/34/168390934.db2.gz CVNNRMVQMCSSII-MRVPVSSYSA-N 0 0 184.666 2.653 10 0 AFAERN C[C@@H](O)CCc1cccc(Cl)c1 43656697 168391342 /nfs/dbraw/zinc/39/13/42/168391342.db2.gz GVCRUVCCDJVVQA-MRVPVSSYSA-N 0 0 184.666 2.653 10 0 AFAERN C[C@@H](O)CCc1ccc(Cl)s1 43656726 168392423 /nfs/dbraw/zinc/39/24/23/168392423.db2.gz LXCTYJKOEZIVGV-ZCFIWIBFSA-N 0 0 190.695 2.715 10 0 AFAERN C[C@@H](O)C[C@@H](C)c1ccccc1 33606742 168395319 /nfs/dbraw/zinc/39/53/19/168395319.db2.gz LPZYYWRJFDZTJI-NXEZZACHSA-N 0 0 164.248 2.561 10 0 AFAERN C[C@@H](O)Cc1cccc(C(F)F)c1 95704642 168396881 /nfs/dbraw/zinc/39/68/81/168396881.db2.gz RXFPOEKDFMXUIW-SSDOTTSWSA-N 0 0 186.201 2.548 10 0 AFAERN C[C@@H](O)[C@@H]1CCCC(C)(C)C1 6036940 168397386 /nfs/dbraw/zinc/39/73/86/168397386.db2.gz BVUYQSFBRKUJNK-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H](O)C[C@H](C)CC(C)(C)C 17407520 168397449 /nfs/dbraw/zinc/39/74/49/168397449.db2.gz FHQUDZUTAZYJRH-DTWKUNHWSA-N 0 0 158.285 2.830 10 0 AFAERN C[C@@H](O)Sc1cccc(Cl)c1 95935338 168397535 /nfs/dbraw/zinc/39/75/35/168397535.db2.gz CCDHERWTUPFUCN-LURJTMIESA-N 0 0 188.679 2.770 10 0 AFAERN C[C@@H](O)Cc1ccc2sccc2c1 89195356 168398075 /nfs/dbraw/zinc/39/80/75/168398075.db2.gz CYBYTFKEZYTFLH-MRVPVSSYSA-N 0 0 192.283 2.825 10 0 AFAERN C[C@@H](O)c1cc(Cl)c2ocnc2c1 41652598 168398504 /nfs/dbraw/zinc/39/85/04/168398504.db2.gz UOHKUVFBIAMKOC-RXMQYKEDSA-N 0 0 197.621 2.535 10 0 AFAERN C[C@@H](O)c1cc(Cl)cc2ncoc12 41652820 168398674 /nfs/dbraw/zinc/39/86/74/168398674.db2.gz UBPPSPJXZUCJNS-RXMQYKEDSA-N 0 0 197.621 2.535 10 0 AFAERN C[C@@H](O)[C@H](C)Cc1cccc(Cl)c1 41209619 168398701 /nfs/dbraw/zinc/39/87/01/168398701.db2.gz SECJMVQTNGCYNK-RKDXNWHRSA-N 0 0 198.693 2.899 10 0 AFAERN C[C@@H](O)[C@H](C)CCc1ccccc1 38613443 168399263 /nfs/dbraw/zinc/39/92/63/168399263.db2.gz PRCGAVVRFUPYKL-GHMZBOCLSA-N 0 0 178.275 2.636 10 0 AFAERN C[C@@H](O)c1c(O)ccc2ccccc12 71445694 168399265 /nfs/dbraw/zinc/39/92/65/168399265.db2.gz VSRKMRHVEZMOOP-MRVPVSSYSA-N 0 0 188.226 2.599 10 0 AFAERN C[C@@H](O)[C@H](C)CC1CCCCC1 6036176 168399366 /nfs/dbraw/zinc/39/93/66/168399366.db2.gz UNFLPVPOSGWAPY-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H](O)[C@H]1CCCC(C)(C)C1 6037017 168399881 /nfs/dbraw/zinc/39/98/81/168399881.db2.gz BVUYQSFBRKUJNK-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H](O)c1c(Cl)[nH]c2ccccc12 71464893 168399902 /nfs/dbraw/zinc/39/99/02/168399902.db2.gz REZJAQVEHBYJGH-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN C[C@@H](O)c1cc(C(C)(C)C)ccc1O 71452803 168399936 /nfs/dbraw/zinc/39/99/36/168399936.db2.gz YUNDSHLPVIJLEU-MRVPVSSYSA-N 0 0 194.274 2.743 10 0 AFAERN C[C@@H](ON)c1ccc2c(c1)CCCC2 19728750 168402072 /nfs/dbraw/zinc/40/20/72/168402072.db2.gz WQGLGMVZWNJSPG-SECBINFHSA-N 0 0 191.274 2.517 10 0 AFAERN C[C@@H](OCC1CC1)c1ccc(N)cc1 40909131 168402154 /nfs/dbraw/zinc/40/21/54/168402154.db2.gz YPEMBUYZIJGIPB-SECBINFHSA-N 0 0 191.274 2.756 10 0 AFAERN C[C@@H](c1ccc(N)cc1)n1cccc1 37484006 168403985 /nfs/dbraw/zinc/40/39/85/168403985.db2.gz ICFKRWDSIQFONT-JTQLQIEISA-N 0 0 186.258 2.680 10 0 AFAERN C[C@@H](c1ccccc1)[C@@H]1CO[C@@H](C)O1 38636404 168404939 /nfs/dbraw/zinc/40/49/39/168404939.db2.gz UJOYYIGQEPKOBI-UMNHJUIQSA-N 0 0 192.258 2.552 10 0 AFAERN C[C@@H](c1ccccc1)c1cncnc1 75841687 168406562 /nfs/dbraw/zinc/40/65/62/168406562.db2.gz RSHIYNVYTKSOPG-JTQLQIEISA-N 0 0 184.242 2.628 10 0 AFAERN C[C@@H](c1nc(C2(C)CC2)no1)C1CC1 334881104 168406582 /nfs/dbraw/zinc/40/65/82/168406582.db2.gz IQEVSSSTGTXOQX-SSDOTTSWSA-N 0 0 192.262 2.635 10 0 AFAERN C[C@@H](c1ccccc1N)n1cccc1 37484010 168407576 /nfs/dbraw/zinc/40/75/76/168407576.db2.gz WAJGBLGPBHKBSO-JTQLQIEISA-N 0 0 186.258 2.680 10 0 AFAERN C[C@@H]1C=CC[C@@H](C)C1 83332380 168408307 /nfs/dbraw/zinc/40/83/07/168408307.db2.gz YACYBRMPSZPZDF-HTQZYQBOSA-N 0 0 110.200 2.609 10 0 AFAERN C[C@@H]1CC(=O)CCC(C)(C)C1 37634140 168410917 /nfs/dbraw/zinc/41/09/17/168410917.db2.gz DIXFJWMIUSSKNT-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1CC(=O)c2cccc(F)c2S1 35741333 168412313 /nfs/dbraw/zinc/41/23/13/168412313.db2.gz UCEZBNUGXGAKQU-ZCFIWIBFSA-N 0 0 196.246 2.893 10 0 AFAERN C[C@@H]1CCC(=O)CC(C)(C)C1 37634136 168413138 /nfs/dbraw/zinc/41/31/38/168413138.db2.gz HNZBTZAZHHJOBM-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1CCCC[C@H]1n1cn[nH]c1=S 20583582 168417265 /nfs/dbraw/zinc/41/72/65/168417265.db2.gz BQFCQXRDLRBAKS-HTQZYQBOSA-N 0 0 197.307 2.692 10 0 AFAERN C[C@@H]1CCCC[C@@]1(O)C(C)(C)C 34179614 168417296 /nfs/dbraw/zinc/41/72/96/168417296.db2.gz KSUMYINEFMZGFM-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCCC[C@]1(O)C(C)(C)C 34075793 168417998 /nfs/dbraw/zinc/41/79/98/168417998.db2.gz KSUMYINEFMZGFM-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@@]2(CCCC(=O)O2)C1 38647918 168426187 /nfs/dbraw/zinc/42/61/87/168426187.db2.gz ARHBNCKQGPMGQO-MWLCHTKSSA-N 0 0 182.263 2.662 10 0 AFAERN C[C@@H]1CCC[C@H](C(F)(F)F)C1=O 38865569 168426596 /nfs/dbraw/zinc/42/65/96/168426596.db2.gz FXWOJJUXDKHUMK-RITPCOANSA-N 0 0 180.169 2.554 10 0 AFAERN C[C@@H]1CCC[C@]2(CCCC(=O)O2)C1 38647914 168428317 /nfs/dbraw/zinc/42/83/17/168428317.db2.gz ARHBNCKQGPMGQO-KOLCDFICSA-N 0 0 182.263 2.662 10 0 AFAERN C[C@@H]1CCC[C@](O)(C(C)(C)C)C1 33952960 168428748 /nfs/dbraw/zinc/42/87/48/168428748.db2.gz PYDPNWPNDMTDCF-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCNc2cc(F)c(F)cc2O1 62522536 168435172 /nfs/dbraw/zinc/43/51/72/168435172.db2.gz UDVSKRREFIBSCB-ZCFIWIBFSA-N 0 0 199.200 2.548 10 0 AFAERN C[C@@H]1CCNc2cccc(Cl)c2O1 62522390 168435249 /nfs/dbraw/zinc/43/52/49/168435249.db2.gz SLSNYCKMKUAORR-SSDOTTSWSA-N 0 0 197.665 2.923 10 0 AFAERN C[C@@H]1CC[C@@H](CO)c2ccccc21 34599337 168437314 /nfs/dbraw/zinc/43/73/14/168437314.db2.gz KLIHOGZZQDZYMB-ZJUUUORDSA-N 0 0 176.259 2.660 10 0 AFAERN C[C@@H]1CC[C@@H](Sc2cccnn2)C1 306586005 168438884 /nfs/dbraw/zinc/43/88/84/168438884.db2.gz KSKHWMKUZANONV-RKDXNWHRSA-N 0 0 194.303 2.757 10 0 AFAERN C[C@@H]1CC[C@H](CO)c2ccccc21 34599335 168439978 /nfs/dbraw/zinc/43/99/78/168439978.db2.gz KLIHOGZZQDZYMB-NXEZZACHSA-N 0 0 176.259 2.660 10 0 AFAERN C[C@@H]1CNc2ccc(Cl)cc2N1 76887671 168457973 /nfs/dbraw/zinc/45/79/73/168457973.db2.gz GEZFTQLFZYMELZ-ZCFIWIBFSA-N 0 0 182.654 2.566 10 0 AFAERN C[C@@H]1CNc2c(Cl)cccc2C1 11987301 168458962 /nfs/dbraw/zinc/45/89/62/168458962.db2.gz QZOYXVHWFPLYMG-ZETCQYMHSA-N 0 0 181.666 2.944 10 0 AFAERN C[C@@H]1CSc2c(F)cccc2C1=O 35757055 168462223 /nfs/dbraw/zinc/46/22/23/168462223.db2.gz YIHHSOLMMFEJDW-ZCFIWIBFSA-N 0 0 196.246 2.750 10 0 AFAERN C[C@@H]1COc2c(Cl)cccc2N1 62520321 168463230 /nfs/dbraw/zinc/46/32/30/168463230.db2.gz UACSSBNSDQWIQQ-ZCFIWIBFSA-N 0 0 183.638 2.533 10 0 AFAERN C[C@@H]1CSC(C)(C)S1 5735832 168463279 /nfs/dbraw/zinc/46/32/79/168463279.db2.gz CRVLTUAGMFKJEA-RXMQYKEDSA-N 0 0 148.296 2.591 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C(=O)C1CCCCC1 336064806 168463938 /nfs/dbraw/zinc/46/39/38/168463938.db2.gz IGJJLSXZFCFOKB-NXEZZACHSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C(=O)C1(C)CCCC1 335783003 168464132 /nfs/dbraw/zinc/46/41/32/168464132.db2.gz LRRWIDQCVRYHPO-NXEZZACHSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O 76598274 168464338 /nfs/dbraw/zinc/46/43/38/168464338.db2.gz RAHOWIIWWZHXET-KXUCPTDWSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C(=O)CCC(C)(C)C 335792381 168465273 /nfs/dbraw/zinc/46/52/73/168465273.db2.gz NJTUXSZETGNOEW-NXEZZACHSA-N 0 0 197.322 2.822 10 0 AFAERN C[C@@H]1C[C@@H](CCO)c2cc(F)ccc21 41206678 168467477 /nfs/dbraw/zinc/46/74/77/168467477.db2.gz JWRRPZYVYJBGQS-RKDXNWHRSA-N 0 0 194.249 2.799 10 0 AFAERN C[C@@H]1C[C@@H](O)c2ccsc2S1 59247003 168468622 /nfs/dbraw/zinc/46/86/22/168468622.db2.gz RSJUYFIZTAZAEA-IYSWYEEDSA-N 0 0 186.301 2.666 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)Cc1cccs1 38126080 168468745 /nfs/dbraw/zinc/46/87/45/168468745.db2.gz FDJGTLKURVGCSM-APPZFPTMSA-N 0 0 180.272 2.516 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccsc1 38125605 168469358 /nfs/dbraw/zinc/46/93/58/168469358.db2.gz UGPUCMBLDCQVEO-APPZFPTMSA-N 0 0 180.272 2.516 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1ccc(Cl)cn1 52291509 168472206 /nfs/dbraw/zinc/47/22/06/168472206.db2.gz BWQZDYJDYZERGY-SVRRBLITSA-N 0 0 182.654 2.555 10 0 AFAERN C[C@@H]1C[C@@H]1c1nc2cc(N)ccc2o1 19508954 168472313 /nfs/dbraw/zinc/47/23/13/168472313.db2.gz DEZUOORUZPLVJN-SVRRBLITSA-N 0 0 188.230 2.533 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1ncccc1Cl 52291624 168472419 /nfs/dbraw/zinc/47/24/19/168472419.db2.gz GTJQOUDHSRAOIZ-SVRRBLITSA-N 0 0 182.654 2.555 10 0 AFAERN C[C@@H]1C[C@@H]1c1noc(CC2CCC2)n1 336475005 168472708 /nfs/dbraw/zinc/47/27/08/168472708.db2.gz FUWCKAWGTRLGSO-APPZFPTMSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)Cc1ccsc1 38125607 168476022 /nfs/dbraw/zinc/47/60/22/168476022.db2.gz UGPUCMBLDCQVEO-VXNVDRBHSA-N 0 0 180.272 2.516 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)Cc1ccccc1F 38126817 168476418 /nfs/dbraw/zinc/47/64/18/168476418.db2.gz TUWAOFCXDBRPDE-PSASIEDQSA-N 0 0 192.233 2.593 10 0 AFAERN C[C@@H]1C[C@H](SC2CCC2)CCO1 335033284 168476635 /nfs/dbraw/zinc/47/66/35/168476635.db2.gz FQSXEWQLTBEDQP-PSASIEDQSA-N 0 0 186.320 2.840 10 0 AFAERN C[C@@H]1C[C@](C)(c2ccccc2)CO1 6031585 168479003 /nfs/dbraw/zinc/47/90/03/168479003.db2.gz GPMLJOOQCIHFET-PWSUYJOCSA-N 0 0 176.259 2.753 10 0 endogenous,in-man AFAERN C[C@@H]1C[C@H]1Nc1ccc(N)cc1Cl 52273411 168479141 /nfs/dbraw/zinc/47/91/41/168479141.db2.gz HLNFIRSSMXTDIR-LHLIQPBNSA-N 0 0 196.681 2.743 10 0 AFAERN C[C@@H]1Cc2cc(C=O)ccc2S1 82397709 168480344 /nfs/dbraw/zinc/48/03/44/168480344.db2.gz AWOIBVXGZXGJKJ-SSDOTTSWSA-N 0 0 178.256 2.536 10 0 AFAERN C[C@@H]1Cc2c(Cl)cccc2N1 108332360 168480542 /nfs/dbraw/zinc/48/05/42/168480542.db2.gz YOYCNNJAIOQWMD-ZCFIWIBFSA-N 0 0 167.639 2.697 10 0 AFAERN C[C@@H]1Cc2c[nH]nc2-c2ccccc21 40506001 168480915 /nfs/dbraw/zinc/48/09/15/168480915.db2.gz OELQENAWLAHLMK-MRVPVSSYSA-N 0 0 184.242 2.736 10 0 AFAERN C[C@@H]1Cc2ncc(C=O)cc2[C@H](C)C1 49806469 168481230 /nfs/dbraw/zinc/48/12/30/168481230.db2.gz GENOYDPJMOEVCG-DTWKUNHWSA-N 0 0 189.258 2.580 10 0 AFAERN C[C@@H]1Cc2ncc(C=O)cc2[C@@H](C)C1 49806471 168481283 /nfs/dbraw/zinc/48/12/83/168481283.db2.gz GENOYDPJMOEVCG-IUCAKERBSA-N 0 0 189.258 2.580 10 0 AFAERN C[C@@H]1Cc2cccc(Cl)c2N1 71484224 168481407 /nfs/dbraw/zinc/48/14/07/168481407.db2.gz RWKFPXADSZTDGD-ZCFIWIBFSA-N 0 0 167.639 2.697 10 0 AFAERN O=C(c1ccccc1)[C@H]1CC12CC2 136072203 343974549 /nfs/dbraw/zinc/97/45/49/343974549.db2.gz HXQRCMMZEPDBRB-SNVBAGLBSA-N 0 0 172.227 2.669 10 0 AFAERN C[C@@H]1Nc2ccccc2NC1(C)C 39114539 168486481 /nfs/dbraw/zinc/48/64/81/168486481.db2.gz KVTRLSAIENMGBQ-QMMMGPOBSA-N 0 0 176.263 2.691 10 0 AFAERN C[C@@H]1Oc2ccccc2C(C)(C)O1 39120090 168489534 /nfs/dbraw/zinc/48/95/34/168489534.db2.gz NYCOMYBQSMLEIP-MRVPVSSYSA-N 0 0 178.231 2.677 10 0 AFAERN C[C@@H]1O[C@@H]1c1ccc(Cl)cc1 22211723 168490101 /nfs/dbraw/zinc/49/01/01/168490101.db2.gz ULTCUVAEPPZZLR-RCOVLWMOSA-N 0 0 168.623 2.800 10 0 AFAERN C[C@@H]1c2c(O)cccc2OC1(C)C 75568514 168492663 /nfs/dbraw/zinc/49/26/63/168492663.db2.gz PDZGXLPKPKZVBC-SSDOTTSWSA-N 0 0 178.231 2.667 10 0 AFAERN C[C@@]1(CCc2ccccc2)C[C@H]1CO 38996420 168500033 /nfs/dbraw/zinc/50/00/33/168500033.db2.gz DZDIWKDXKXDZDF-QWHCGFSZSA-N 0 0 190.286 2.638 10 0 AFAERN C[C@@]1(c2ccc(Cl)s2)CO1 36156267 168503591 /nfs/dbraw/zinc/50/35/91/168503591.db2.gz PPHKMAMVHOSXNO-ZETCQYMHSA-N 0 0 174.652 2.647 10 0 AFAERN C[C@@]12CCCCCC[C@@H]1CC(=O)O2 104845205 168506423 /nfs/dbraw/zinc/50/64/23/168506423.db2.gz ZDOKSBNJORUTOH-MWLCHTKSSA-N 0 0 182.263 2.662 10 0 AFAERN C[C@H](C1CC1)n1cc[nH]c1=S 35733869 168518484 /nfs/dbraw/zinc/51/84/84/168518484.db2.gz ZAOVEJFFWKNUNU-ZCFIWIBFSA-N 0 0 168.265 2.517 10 0 AFAERN C[C@H](C1CCCCC1)n1nccc1N 37366986 168519228 /nfs/dbraw/zinc/51/92/28/168519228.db2.gz KLJVEFFOFBTOFR-SECBINFHSA-N 0 0 193.294 2.607 10 0 AFAERN C[C@H](CC(C)(C)C)C(=O)N1CCCC1 334374615 168522957 /nfs/dbraw/zinc/52/29/57/168522957.db2.gz CYJWQSBKTYMFLX-SNVBAGLBSA-N 0 0 197.322 2.681 10 0 AFAERN C[C@H](CCCCC(C)(C)C)C(N)=O 98091137 168524650 /nfs/dbraw/zinc/52/46/50/168524650.db2.gz IVBCEQMBDBTXCQ-SECBINFHSA-N 0 0 185.311 2.714 10 0 AFAERN C[C@H](Nc1cccc(F)c1N)C1CC1 37419662 168571090 /nfs/dbraw/zinc/57/10/90/168571090.db2.gz DMCNCUYVLWRCPO-ZETCQYMHSA-N 0 0 194.253 2.618 10 0 AFAERN C[C@H](Nc1cn[nH]c1)c1ccsc1 50340361 168572260 /nfs/dbraw/zinc/57/22/60/168572260.db2.gz ZQWYGKMTMBPUDT-ZETCQYMHSA-N 0 0 193.275 2.644 10 0 AFAERN C[C@H](O)/C=C/c1c[nH]c2ccccc12 77273702 168572464 /nfs/dbraw/zinc/57/24/64/168572464.db2.gz QBHCJOIEPQYYSG-UCUJLANTSA-N 0 0 187.242 2.562 10 0 AFAERN C[C@H](Nc1cccnn1)c1ccccc1 52815844 168572531 /nfs/dbraw/zinc/57/25/31/168572531.db2.gz AXJNKLPIJGWYOH-JTQLQIEISA-N 0 0 199.257 2.650 10 0 AFAERN C[C@H](Nc1cccnc1Cl)C1CC1 36982888 168573074 /nfs/dbraw/zinc/57/30/74/168573074.db2.gz VIFFCDPMMGPGKY-ZETCQYMHSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H](O)/C=C/c1ccc(Cl)cc1 77270337 168573288 /nfs/dbraw/zinc/57/32/88/168573288.db2.gz FBQMXUBIFKPRNV-SGJFDWMWSA-N 0 0 182.650 2.734 10 0 AFAERN C[C@H](O)Cc1ccc2sccc2c1 89195355 168581750 /nfs/dbraw/zinc/58/17/50/168581750.db2.gz CYBYTFKEZYTFLH-QMMMGPOBSA-N 0 0 192.283 2.825 10 0 AFAERN C[C@H](O)C[C@H](C)CC(C)(C)C 17407522 168581790 /nfs/dbraw/zinc/58/17/90/168581790.db2.gz FHQUDZUTAZYJRH-IUCAKERBSA-N 0 0 158.285 2.830 10 0 AFAERN C[C@H](O)[C@H]1CCCC(C)(C)C1 6030235 168585323 /nfs/dbraw/zinc/58/53/23/168585323.db2.gz BVUYQSFBRKUJNK-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H](O)c1ccc2ccccc2c1O 21952215 168587001 /nfs/dbraw/zinc/58/70/01/168587001.db2.gz LGFZRFGHGXKJRV-QMMMGPOBSA-N 0 0 188.226 2.599 10 0 AFAERN C[C@H](OC1CCC1)c1ccc(N)cc1 50519197 168587405 /nfs/dbraw/zinc/58/74/05/168587405.db2.gz ZGFHNFUXVHYYDT-VIFPVBQESA-N 0 0 191.274 2.899 10 0 AFAERN C[C@H](OC=O)[C@H]1CCCC(C)(C)C1 2559070 168587937 /nfs/dbraw/zinc/58/79/37/168587937.db2.gz NFASPEPDTMCBEN-UWVGGRQHSA-N 0 0 184.279 2.764 10 0 AFAERN C[C@H](c1ccccc1)c1c[nH]cn1 39132871 168590537 /nfs/dbraw/zinc/59/05/37/168590537.db2.gz FDKDATUVJLVLHB-SECBINFHSA-N 0 0 172.231 2.562 10 0 AFAERN C[C@H](c1ccccc1)c1cn[nH]c1 75841681 168590910 /nfs/dbraw/zinc/59/09/10/168590910.db2.gz QNITZIYDCJMPSE-SECBINFHSA-N 0 0 172.231 2.562 10 0 AFAERN C[C@H](c1noc(C2(C)CC2)n1)C1CC1 335351551 168591119 /nfs/dbraw/zinc/59/11/19/168591119.db2.gz JSWLEWMFGUNTRT-ZETCQYMHSA-N 0 0 192.262 2.635 10 0 AFAERN C[C@H](c1ccccc1)c1cncnc1 75841688 168591149 /nfs/dbraw/zinc/59/11/49/168591149.db2.gz RSHIYNVYTKSOPG-SNVBAGLBSA-N 0 0 184.242 2.628 10 0 AFAERN C[C@H]1C(=S)N(C)c2ccccc21 2019526 168592786 /nfs/dbraw/zinc/59/27/86/168592786.db2.gz TYFJUZPJHYOUES-SSDOTTSWSA-N 0 0 177.272 2.567 10 0 AFAERN C[C@H]1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 197191212 168593130 /nfs/dbraw/zinc/59/31/30/168593130.db2.gz IJUHVSZPOHPVLE-VHSKPIJISA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H]1C=Cc2nc3ccccc3n21 95923865 168593888 /nfs/dbraw/zinc/59/38/88/168593888.db2.gz IDHDVEJTQQWKFZ-QMMMGPOBSA-N 0 0 170.215 2.624 10 0 AFAERN C[C@H]1C=Cc2cccc(F)c2N1 71479772 168594514 /nfs/dbraw/zinc/59/45/14/168594514.db2.gz XABJGVNNIBHKHL-ZETCQYMHSA-N 0 0 163.195 2.653 10 0 AFAERN C[C@H]1CC(=O)[C@H]2CCCC[C@@H]2S1 4698339 168595370 /nfs/dbraw/zinc/59/53/70/168595370.db2.gz SFGSZMRVJPJBAX-XKSSXDPKSA-N 0 0 184.304 2.640 10 0 AFAERN C[C@H]1CC(=O)c2cccc(F)c21 19972459 168595738 /nfs/dbraw/zinc/59/57/38/168595738.db2.gz QVRBJZBGICCVBJ-LURJTMIESA-N 0 0 164.179 2.516 10 0 AFAERN C[C@H]1CC(=O)c2cccc(Cl)c2N1 71481874 168596081 /nfs/dbraw/zinc/59/60/81/168596081.db2.gz SHIARVOTNPFKOR-LURJTMIESA-N 0 0 195.649 2.727 10 0 AFAERN C[C@H]1CCCCCN1C(=O)CC1CC1 334338623 168597484 /nfs/dbraw/zinc/59/74/84/168597484.db2.gz YWRKHMYHEGPUAZ-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN C[C@H]1CC=C(C(C)(C)O)CC1 5735585 168597633 /nfs/dbraw/zinc/59/76/33/168597633.db2.gz HMXMWOXFKFLOGK-QMMMGPOBSA-N 0 0 154.253 2.504 10 0 biogenic,in-vitro AFAERN C[C@H]1CCCC[C@@H]1n1cn[nH]c1=S 20583579 168600504 /nfs/dbraw/zinc/60/05/04/168600504.db2.gz BQFCQXRDLRBAKS-YUMQZZPRSA-N 0 0 197.307 2.692 10 0 AFAERN C[C@H]1CCCC[C@@]1(O)C(C)(C)C 34179615 168602049 /nfs/dbraw/zinc/60/20/49/168602049.db2.gz KSUMYINEFMZGFM-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1CCC[C@]2(CCCC(=O)O2)C1 38647916 168612317 /nfs/dbraw/zinc/61/23/17/168612317.db2.gz ARHBNCKQGPMGQO-ONGXEEELSA-N 0 0 182.263 2.662 10 0 AFAERN C[C@H]1CCNc2cccc(Cl)c2O1 62522393 168620466 /nfs/dbraw/zinc/62/04/66/168620466.db2.gz SLSNYCKMKUAORR-ZETCQYMHSA-N 0 0 197.665 2.923 10 0 AFAERN C[C@H]1CCNc2cc(F)c(F)cc2O1 62522541 168620601 /nfs/dbraw/zinc/62/06/01/168620601.db2.gz UDVSKRREFIBSCB-LURJTMIESA-N 0 0 199.200 2.548 10 0 AFAERN C[C@H]1CC[C@@H](Sc2cccnn2)C1 306586000 168622002 /nfs/dbraw/zinc/62/20/02/168622002.db2.gz KSKHWMKUZANONV-DTWKUNHWSA-N 0 0 194.303 2.757 10 0 AFAERN C[C@H]1CC[C@@H]2CC(=O)CC[C@@H]2C1 76595641 168622575 /nfs/dbraw/zinc/62/25/75/168622575.db2.gz YLYMUDUMOUDDAW-IVZWLZJFSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CCC(C(=O)C(C)(C)C)=C(O)C1 104836758 168623237 /nfs/dbraw/zinc/62/32/37/168623237.db2.gz KPCQDPTYWVZONZ-IUCAKERBSA-N 0 0 196.290 2.607 10 0 AFAERN C[C@H]1CC[C@H](C(C)(C)C)[C@@H](O)C1 1577453 168623429 /nfs/dbraw/zinc/62/34/29/168623429.db2.gz OLSGPMSPGKZAEI-GUBZILKMSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1CCc2cc(C=O)cnc2[C@@H]1C 49806458 168627799 /nfs/dbraw/zinc/62/77/99/168627799.db2.gz PHWLODPQLLJMSD-DTWKUNHWSA-N 0 0 189.258 2.580 10 0 AFAERN C[C@H]1CN(C(=O)CCC(C)(C)C)[C@@H]1C 336484547 168628310 /nfs/dbraw/zinc/62/83/10/168628310.db2.gz IITUBXJSHAWTOD-VHSXEESVSA-N 0 0 197.322 2.680 10 0 AFAERN C[C@H]1CCc2cc(C=O)cnc2[C@H]1C 49806460 168628316 /nfs/dbraw/zinc/62/83/16/168628316.db2.gz PHWLODPQLLJMSD-IUCAKERBSA-N 0 0 189.258 2.580 10 0 AFAERN C[C@H]1CNc2ccc(Cl)cc2C1 11987314 168642728 /nfs/dbraw/zinc/64/27/28/168642728.db2.gz XQTLSBRROGQSAT-SSDOTTSWSA-N 0 0 181.666 2.944 10 0 AFAERN C[C@H]1CNc2cccc(Cl)c2OC1 62522382 168643201 /nfs/dbraw/zinc/64/32/01/168643201.db2.gz SPNOGKBJADMLNS-ZETCQYMHSA-N 0 0 197.665 2.780 10 0 AFAERN C[C@H]1C[C@@H](C)O[C@H](c2ccccc2)O1 255972457 168648852 /nfs/dbraw/zinc/64/88/52/168648852.db2.gz FRKWMMLFFMXPDS-IAZYJMLFSA-N 0 0 192.258 2.899 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)C1CCCCC1 336064805 168649321 /nfs/dbraw/zinc/64/93/21/168649321.db2.gz IGJJLSXZFCFOKB-AOOOYVTPSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)CC1CCCC1 335878628 168649498 /nfs/dbraw/zinc/64/94/98/168649498.db2.gz ITRQRWCTNHRKIT-AOOOYVTPSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)CCC(C)(C)C 335792380 168650102 /nfs/dbraw/zinc/65/01/02/168650102.db2.gz NJTUXSZETGNOEW-AOOOYVTPSA-N 0 0 197.322 2.822 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)Cc1ccsc1 38125606 168653739 /nfs/dbraw/zinc/65/37/39/168653739.db2.gz UGPUCMBLDCQVEO-CBAPKCEASA-N 0 0 180.272 2.516 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1cc(F)ccc1F 36940268 168653804 /nfs/dbraw/zinc/65/38/04/168653804.db2.gz SFEFFDRCXKJZRI-XPUUQOCRSA-N 0 0 196.196 2.804 10 0 AFAERN C[C@H]1C[C@@H]1c1noc(CC(C)(C)C)n1 335163217 168656742 /nfs/dbraw/zinc/65/67/42/168656742.db2.gz GVXQOYXCDUBKFJ-YUMQZZPRSA-N 0 0 194.278 2.782 10 0 AFAERN C[C@H]1C[C@@H]1c1noc(CC2(C)CC2)n1 334146104 168656770 /nfs/dbraw/zinc/65/67/70/168656770.db2.gz BLLROHIFEJYXDE-YUMQZZPRSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@H]1C[C@@H]1c1noc(CC2CCC2)n1 336475006 168656820 /nfs/dbraw/zinc/65/68/20/168656820.db2.gz FUWCKAWGTRLGSO-CBAPKCEASA-N 0 0 192.262 2.536 10 0 AFAERN C[C@H]1C[C@@](C)(c2ccccc2)CO1 6038030 168656883 /nfs/dbraw/zinc/65/68/83/168656883.db2.gz GPMLJOOQCIHFET-CMPLNLGQSA-N 0 0 176.259 2.753 10 0 endogenous,in-man AFAERN C[C@H]1C[C@@H]1c1nc2ccc(N)cc2o1 34940027 168657488 /nfs/dbraw/zinc/65/74/88/168657488.db2.gz CXSSSICQHNILDM-XPUUQOCRSA-N 0 0 188.230 2.533 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1ccc(F)c(F)c1 36941587 168662301 /nfs/dbraw/zinc/66/23/01/168662301.db2.gz JPKLXLXXFIXSKS-POYBYMJQSA-N 0 0 196.196 2.804 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1ccc(F)cc1F 36940666 168662499 /nfs/dbraw/zinc/66/24/99/168662499.db2.gz WLMGKOYXDBEYJA-IMTBSYHQSA-N 0 0 196.196 2.804 10 0 AFAERN C[C@H]1Cc2c(Cl)cccc2N1 108332364 168665313 /nfs/dbraw/zinc/66/53/13/168665313.db2.gz YOYCNNJAIOQWMD-LURJTMIESA-N 0 0 167.639 2.697 10 0 AFAERN C[C@H]1Cc2[nH]c3ccccc3c2C1=O 34189079 168665882 /nfs/dbraw/zinc/66/58/82/168665882.db2.gz BOMHTWWDOMYHKQ-ZETCQYMHSA-N 0 0 185.226 2.543 10 0 AFAERN C[C@H]1Cc2ccc(Cl)cc2N1 71484201 168667286 /nfs/dbraw/zinc/66/72/86/168667286.db2.gz SPGRAQIWXDONAH-LURJTMIESA-N 0 0 167.639 2.697 10 0 AFAERN C[C@H]1Oc2ccccc2[C@@H](C)O1 37630288 168674165 /nfs/dbraw/zinc/67/41/65/168674165.db2.gz MQXYRSGRPGDEAS-HTQZYQBOSA-N 0 0 164.204 2.503 10 0 AFAERN C[C@H]1SCc2ccccc21 143137813 168675464 /nfs/dbraw/zinc/67/54/64/168675464.db2.gz PRYWFOZSSNQGMK-SSDOTTSWSA-N 0 0 150.246 2.994 10 0 AFAERN C[C@](O)(c1ccsc1)C(F)(F)F 50345228 168682973 /nfs/dbraw/zinc/68/29/73/168682973.db2.gz JVDYLWSQRUEJPQ-LURJTMIESA-N 0 0 196.193 2.518 10 0 AFAERN C[C@](O)(Cc1ccc(F)cc1)C1CC1 37463699 168683212 /nfs/dbraw/zinc/68/32/12/168683212.db2.gz CUPPHSDDUSRRLU-LBPRGKRZSA-N 0 0 194.249 2.529 10 0 AFAERN C[C@](O)(Cc1ccccc1F)C1CC1 37463688 168683758 /nfs/dbraw/zinc/68/37/58/168683758.db2.gz JXKLPYVXHVOBSK-LBPRGKRZSA-N 0 0 194.249 2.529 10 0 AFAERN C[C@](O)(Cc1cccc(F)c1)C1CC1 37463703 168683799 /nfs/dbraw/zinc/68/37/99/168683799.db2.gz SEUJZLQDLAUBES-LBPRGKRZSA-N 0 0 194.249 2.529 10 0 AFAERN C[C@]1(C2CC2)Cc2ccccc2N1 82399631 168684485 /nfs/dbraw/zinc/68/44/85/168684485.db2.gz BOMMYCSWWYWODU-GFCCVEGCSA-N 0 0 173.259 2.823 10 0 AFAERN C[C@]12CCCCCC[C@@H]1CC(=O)O2 104845210 168690612 /nfs/dbraw/zinc/69/06/12/168690612.db2.gz ZDOKSBNJORUTOH-KOLCDFICSA-N 0 0 182.263 2.662 10 0 AFAERN C[C@]12CCCCCC[C@H]1CC(=O)O2 104845216 168691051 /nfs/dbraw/zinc/69/10/51/168691051.db2.gz ZDOKSBNJORUTOH-ONGXEEELSA-N 0 0 182.263 2.662 10 0 AFAERN C[S@](=O)/C=C/C=C\c1ccccc1 6073169 168694587 /nfs/dbraw/zinc/69/45/87/168694587.db2.gz FNRJQDRZOIQVST-GIXNQHEHSA-N 0 0 192.283 2.592 10 0 AFAERN C[Si]1(C)CCCC(=O)CCC1 195765508 168695357 /nfs/dbraw/zinc/69/53/57/168695357.db2.gz IQRKKWHCGORCLF-UHFFFAOYSA-N 0 0 170.328 2.838 10 0 AFAERN C[Si](C)(C)c1sccc1Cl 196505321 168695478 /nfs/dbraw/zinc/69/54/78/168695478.db2.gz MYECGOOHWUKLCY-UHFFFAOYSA-N 0 0 190.771 2.947 10 0 AFAERN Cc1[nH]c(CCC(C)C)cc(=O)c1C 196718529 168699479 /nfs/dbraw/zinc/69/94/79/168699479.db2.gz DOMXNKBETQEUMO-UHFFFAOYSA-N 0 0 193.290 2.580 10 0 AFAERN Cc1[nH]c2cccc(C)c2c1C=O 76599768 168699557 /nfs/dbraw/zinc/69/95/57/168699557.db2.gz XKQWRUBUXVQAKK-UHFFFAOYSA-N 0 0 173.215 2.597 10 0 AFAERN Cc1[nH]ccc1-c1ccccc1 38810061 168700742 /nfs/dbraw/zinc/70/07/42/168700742.db2.gz ITWGCQMRMZGUNF-UHFFFAOYSA-N 0 0 157.216 2.990 10 0 AFAERN Cc1c(C)c(O)c2ccccc2c1O 13524656 168706662 /nfs/dbraw/zinc/70/66/62/168706662.db2.gz FIRZADXJDPLINV-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN Cc1c(C)n(C)c2c(O)cccc12 39116299 168706808 /nfs/dbraw/zinc/70/68/08/168706808.db2.gz WKFBSTNEXTXNQT-UHFFFAOYSA-N 0 0 175.231 2.501 10 0 AFAERN Cc1c(C)c2c(c(C)c1O)SCO2 29311315 168707206 /nfs/dbraw/zinc/70/72/06/168707206.db2.gz NKVJCXRRAWIBBG-UHFFFAOYSA-N 0 0 196.271 2.759 10 0 AFAERN Cc1c(C=O)cc(C(C)C)cc1C=O 75579818 168707540 /nfs/dbraw/zinc/70/75/40/168707540.db2.gz DMGHLFJBFRJODW-UHFFFAOYSA-N 0 0 190.242 2.743 10 0 AFAERN Cc1c(C=O)[nH]c2cc(Cl)ccc12 82588787 168707861 /nfs/dbraw/zinc/70/78/61/168707861.db2.gz QKHNWHZFMZVHAG-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN Cc1c(C=O)c[nH]c1-c1ccccc1 90668750 168707877 /nfs/dbraw/zinc/70/78/77/168707877.db2.gz KALQKRMRSPDPHW-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN Cc1c(CCC2CCCC2)noc1N 36937144 168709425 /nfs/dbraw/zinc/70/94/25/168709425.db2.gz DJWSVEKDQHLGKM-UHFFFAOYSA-N 0 0 194.278 2.688 10 0 AFAERN Cc1c(Cl)ccc2c1O[C@H](C)C2 95931601 168710422 /nfs/dbraw/zinc/71/04/22/168710422.db2.gz XPKFZBPLRIWATM-ZCFIWIBFSA-N 0 0 182.650 2.972 10 0 AFAERN Cc1c(Cl)ccc2n[nH]cc12 43220595 168710464 /nfs/dbraw/zinc/71/04/64/168710464.db2.gz KEIOHPFUBHDTSO-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN Cc1c(CO)cccc1C(C)C 39103942 168710848 /nfs/dbraw/zinc/71/08/48/168710848.db2.gz OCTCVAWMEVIFDW-UHFFFAOYSA-N 0 0 164.248 2.611 10 0 AFAERN Cc1c(Cl)c(=O)oc2ccccc12 34516353 168710955 /nfs/dbraw/zinc/71/09/55/168710955.db2.gz LMQWOLFVHAMFLR-UHFFFAOYSA-N 0 0 194.617 2.755 10 0 AFAERN Cc1c(CO)cccc1-c1cccnc1 39433367 168711126 /nfs/dbraw/zinc/71/11/26/168711126.db2.gz NWCIWHGKOBEKIW-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1c(Cl)cc(N(C)C)c(C)c1N 83228017 168711213 /nfs/dbraw/zinc/71/12/13/168711213.db2.gz CRRBEQFQSPYZEJ-UHFFFAOYSA-N 0 0 198.697 2.605 10 0 AFAERN Cc1c(Cl)ccc([C@@H](C)O)c1F 75852764 168711223 /nfs/dbraw/zinc/71/12/23/168711223.db2.gz YZDYVGOQSQYZDC-ZCFIWIBFSA-N 0 0 188.629 2.841 10 0 AFAERN Cc1c(CO)cccc1-c1ccccn1 39433368 168711305 /nfs/dbraw/zinc/71/13/05/168711305.db2.gz NQWXGEXJQTUOBI-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1c(Cl)ccc2c[nH]nc12 75903315 168711347 /nfs/dbraw/zinc/71/13/47/168711347.db2.gz YFFXWJPLFTVDSQ-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN Cc1c(F)cccc1NCC(F)F 43320590 168712322 /nfs/dbraw/zinc/71/23/22/168712322.db2.gz FDMYUBJZOVQGIX-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN Cc1c(N)ccc(Cl)c1C 38887952 168713587 /nfs/dbraw/zinc/71/35/87/168713587.db2.gz OHKAJFZPJNWBJK-UHFFFAOYSA-N 0 0 155.628 2.539 10 0 AFAERN Cc1c(N)cccc1NC1CCCC1 62724064 168713893 /nfs/dbraw/zinc/71/38/93/168713893.db2.gz GYJFQXQYXRPVBK-UHFFFAOYSA-N 0 0 190.290 2.932 10 0 AFAERN Cc1c(N)cccc1NCC(C)C 62724063 168714115 /nfs/dbraw/zinc/71/41/15/168714115.db2.gz MJRRGWWCOCXVRE-UHFFFAOYSA-N 0 0 178.279 2.645 10 0 AFAERN Cc1c(N)cccc1COCC(C)C 35649394 168714151 /nfs/dbraw/zinc/71/41/51/168714151.db2.gz CVSWLMVNZZGTLV-UHFFFAOYSA-N 0 0 193.290 2.750 10 0 AFAERN Cc1c(N)cccc1COCC1CC1 35649435 168714339 /nfs/dbraw/zinc/71/43/39/168714339.db2.gz WWNUBLLOLCPNOE-UHFFFAOYSA-N 0 0 191.274 2.504 10 0 AFAERN Cc1c(N)cccc1N[C@@H]1CC1(C)C 62725248 168714341 /nfs/dbraw/zinc/71/43/41/168714341.db2.gz QIVYGYVGSNCFJU-LLVKDONJSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1c(N)cccc1COC1CCC1 50519190 168714382 /nfs/dbraw/zinc/71/43/82/168714382.db2.gz KIPFMNOZCUXJCV-UHFFFAOYSA-N 0 0 191.274 2.646 10 0 AFAERN Cc1cc(-c2ccccc2)ncc1O 34111794 168723176 /nfs/dbraw/zinc/72/31/76/168723176.db2.gz DVCKDYPEAHOHQQ-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1cc(-c2ccccc2N)sn1 82883695 168723944 /nfs/dbraw/zinc/72/39/44/168723944.db2.gz YZWMHZFYGWJVRS-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(-c2ccncc2)ncc1F 47213459 168724034 /nfs/dbraw/zinc/72/40/34/168724034.db2.gz MIFOYQHUHIROJB-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cc(-c2ccccc2F)c(N)o1 106517888 168724264 /nfs/dbraw/zinc/72/42/64/168724264.db2.gz RYASIMRWIBGWKC-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1cc(-c2ccsc2)no1 39113193 168724657 /nfs/dbraw/zinc/72/46/57/168724657.db2.gz OBMASRKHGWBVBN-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN Cc1cc(C(=O)CC(C)C)c(C)n1C 82588780 168730319 /nfs/dbraw/zinc/73/03/19/168730319.db2.gz CCWXDPKZWLBFBA-UHFFFAOYSA-N 0 0 193.290 2.871 10 0 AFAERN Cc1cc(C(=O)CC2CC2)c(C)o1 49844615 168730613 /nfs/dbraw/zinc/73/06/13/168730613.db2.gz RGHFQTVPDFZIGV-UHFFFAOYSA-N 0 0 178.231 2.879 10 0 AFAERN Cc1cc(C)c2c(c1)NCCCC2=O 82390849 168740831 /nfs/dbraw/zinc/74/08/31/168740831.db2.gz IUOVBTWBKSULQR-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN Cc1cc(C)c2c(c1)C=CCN2 71479737 168740889 /nfs/dbraw/zinc/74/08/89/168740889.db2.gz YGEBXHWCHQFGKU-UHFFFAOYSA-N 0 0 159.232 2.742 10 0 AFAERN Cc1cc(C)c2c(c1)NC[C@H](C)C2 11633174 168740974 /nfs/dbraw/zinc/74/09/74/168740974.db2.gz ITIPUILVMZPVFY-SECBINFHSA-N 0 0 175.275 2.908 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)CCS2 20437147 168741180 /nfs/dbraw/zinc/74/11/80/168741180.db2.gz BRNGNWTZZNSGAK-UHFFFAOYSA-N 0 0 192.283 2.982 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](O)CCCO2 62567634 168741655 /nfs/dbraw/zinc/74/16/55/168741655.db2.gz XPQBXMIAXSDHNN-LLVKDONJSA-N 0 0 192.258 2.509 10 0 AFAERN Cc1cc(C)c2c(c1)NC[C@@H]2C 71486323 168741668 /nfs/dbraw/zinc/74/16/68/168741668.db2.gz ORTVGDRBBIELJR-VIFPVBQESA-N 0 0 161.248 2.832 10 0 AFAERN Cc1cc(C)c2c(c1)NCC[C@@H](C)O2 62521384 168741767 /nfs/dbraw/zinc/74/17/67/168741767.db2.gz YVISJMZMPUXNAA-SNVBAGLBSA-N 0 0 191.274 2.886 10 0 AFAERN Cc1cc(C)c2c(c1)OCCC[C@H]2O 62567643 168741774 /nfs/dbraw/zinc/74/17/74/168741774.db2.gz KMOCJTBGTLNYSP-SNVBAGLBSA-N 0 0 192.258 2.509 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)[C@@H](C)CN2 71481856 168742049 /nfs/dbraw/zinc/74/20/49/168742049.db2.gz MYEXLZRFGLVWIX-VIFPVBQESA-N 0 0 189.258 2.548 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](O)C[C@H](C)N2 71481582 168742100 /nfs/dbraw/zinc/74/21/00/168742100.db2.gz YBZUIPZIULSFQP-ONGXEEELSA-N 0 0 191.274 2.541 10 0 AFAERN Cc1cc(C)c2c(c1)NC[C@H](C)CO2 62521315 168742205 /nfs/dbraw/zinc/74/22/05/168742205.db2.gz UNLYPCXGLIWFJJ-VIFPVBQESA-N 0 0 191.274 2.744 10 0 AFAERN Cc1cc(C)c2c(c1)NC[C@H](C)C2=O 71481859 168742277 /nfs/dbraw/zinc/74/22/77/168742277.db2.gz NXOBYMHTDUOZQL-VIFPVBQESA-N 0 0 189.258 2.548 10 0 AFAERN Cc1cc(C)cc(-c2cc(=O)cc[nH]2)c1 65355651 168742546 /nfs/dbraw/zinc/74/25/46/168742546.db2.gz ADQVRZWFCLNGKS-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1cc(C)c2oc(C)nc2c1 62498484 168742574 /nfs/dbraw/zinc/74/25/74/168742574.db2.gz QPLVOQGZKZPIPK-UHFFFAOYSA-N 0 0 161.204 2.753 10 0 AFAERN Cc1cc(C)c2c(n1)CC[C@@H](C)C2 211661501 168742616 /nfs/dbraw/zinc/74/26/16/168742616.db2.gz VMOLXCQYNQFUFX-MRVPVSSYSA-N 0 0 175.275 2.823 10 0 AFAERN Cc1cc(C)c2cc(C=O)ccc2n1 82769001 168742740 /nfs/dbraw/zinc/74/27/40/168742740.db2.gz YDKKTFGTRKGELE-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN Cc1cc(C)cc(C(F)(F)[C@H](C)N)c1 217010007 168742901 /nfs/dbraw/zinc/74/29/01/168742901.db2.gz AHPZRAZKGVBMND-VIFPVBQESA-N 0 0 199.244 2.742 10 0 AFAERN Cc1cc(C)cc(-c2ccc[nH]c2=O)c1 65337732 168743509 /nfs/dbraw/zinc/74/35/09/168743509.db2.gz ULSUVCLSKPAKJK-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1cc(C)c2ncc(C=O)cc2c1 49805961 168743780 /nfs/dbraw/zinc/74/37/80/168743780.db2.gz QESGURSAZNMUAO-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN Cc1cc(C)cc(-c2ccc(=O)[nH]c2)c1 65337735 168744125 /nfs/dbraw/zinc/74/41/25/168744125.db2.gz JDDHQLDOWCXZTO-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1cc(C)cc(S[C@@H](C)O)c1 91365358 168744558 /nfs/dbraw/zinc/74/45/58/168744558.db2.gz UBDDOTKVWDHEDF-VIFPVBQESA-N 0 0 182.288 2.734 10 0 AFAERN Cc1cc(C)cc(OC(F)F)c1 41168505 168744806 /nfs/dbraw/zinc/74/48/06/168744806.db2.gz QARVOTSETWIHCI-UHFFFAOYSA-N 0 0 172.174 2.905 10 0 AFAERN Cc1cc(C)cc(NC2CC2)c1 76593987 168745048 /nfs/dbraw/zinc/74/50/48/168745048.db2.gz BOMJONRZDXOTLG-UHFFFAOYSA-N 0 0 161.248 2.878 10 0 AFAERN Cc1cc(C)cc(C[C@H](C)[C@@H](C)O)c1 43658718 168745086 /nfs/dbraw/zinc/74/50/86/168745086.db2.gz YSDICEWIQPERJS-NWDGAFQWSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1cc(C)cc(NCC(F)F)c1 37755792 168745263 /nfs/dbraw/zinc/74/52/63/168745263.db2.gz FBGSLDKVDQNGOX-UHFFFAOYSA-N 0 0 185.217 2.980 10 0 AFAERN Cc1cc(C)cc(S[C@H](C)O)c1 91365359 168745298 /nfs/dbraw/zinc/74/52/98/168745298.db2.gz UBDDOTKVWDHEDF-SECBINFHSA-N 0 0 182.288 2.734 10 0 AFAERN Cc1cc(C)cc([C@@H](C)CCO)c1 41200580 168745392 /nfs/dbraw/zinc/74/53/92/168745392.db2.gz GGOIBLKUNUXHCX-NSHDSACASA-N 0 0 178.275 2.789 10 0 AFAERN Cc1cc(C)cc([C@H]2CCC[C@H]2O)c1 15440825 168745531 /nfs/dbraw/zinc/74/55/31/168745531.db2.gz RTFUOQYIAKJGKU-CHWSQXEVSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1cc(C)cc([C@@H](O)C(C)C)c1 37746053 168745755 /nfs/dbraw/zinc/74/57/55/168745755.db2.gz RVGZPWJPWCVEEY-LBPRGKRZSA-N 0 0 178.275 2.993 10 0 AFAERN Cc1cc(C)cc(CC[C@H](C)O)c1 43656802 168746003 /nfs/dbraw/zinc/74/60/03/168746003.db2.gz SELSZPVXLDHVSY-NSHDSACASA-N 0 0 178.275 2.617 10 0 AFAERN Cc1cc(C)cc([C@H](C)CCO)c1 41200583 168746035 /nfs/dbraw/zinc/74/60/35/168746035.db2.gz GGOIBLKUNUXHCX-LLVKDONJSA-N 0 0 178.275 2.789 10 0 AFAERN Cc1cc(C)cc(C[C@@H](O)C(C)C)c1 38077247 168746116 /nfs/dbraw/zinc/74/61/16/168746116.db2.gz SCAZWBVBUMZEGQ-CYBMUJFWSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1cc(C)nc(SC(C)C)n1 39881019 168748588 /nfs/dbraw/zinc/74/85/88/168748588.db2.gz GRKVPWXCQJSTNI-UHFFFAOYSA-N 0 0 182.292 2.594 10 0 AFAERN Cc1cc(C=O)cc(C(C)C)c1 40571437 168750139 /nfs/dbraw/zinc/75/01/39/168750139.db2.gz PZTLAPMDMDWYTH-UHFFFAOYSA-N 0 0 162.232 2.931 10 0 AFAERN Cc1cc(C=O)c(C)n1[C@@H]1CC1(C)C 45135284 168750398 /nfs/dbraw/zinc/75/03/98/168750398.db2.gz IUYBJEAWKRAPBP-LLVKDONJSA-N 0 0 191.274 2.888 10 0 AFAERN Cc1cc(C=O)nc2c(C)cccc12 82769021 168750423 /nfs/dbraw/zinc/75/04/23/168750423.db2.gz TVKKZQWZKDQKRE-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN Cc1cc(C=O)c(C)n1CCC(C)C 19806612 168750474 /nfs/dbraw/zinc/75/04/74/168750474.db2.gz XMCQTOZOMTWUAT-UHFFFAOYSA-N 0 0 193.290 2.964 10 0 AFAERN Cc1cc(C=O)c(C)n1CC(C)(C)C 40494666 168751577 /nfs/dbraw/zinc/75/15/77/168751577.db2.gz MMJPYFUZMJVISS-UHFFFAOYSA-N 0 0 193.290 2.964 10 0 AFAERN Cc1cc(CC2CCCC2)on1 90411644 168752043 /nfs/dbraw/zinc/75/20/43/168752043.db2.gz FOBAGQXJHROFRY-UHFFFAOYSA-N 0 0 165.236 2.716 10 0 AFAERN Cc1cc(CCc2cccs2)n[nH]1 41206001 168752768 /nfs/dbraw/zinc/75/27/68/168752768.db2.gz GTXYRIXBFHGMJR-UHFFFAOYSA-N 0 0 192.287 2.565 10 0 AFAERN Cc1cc(CCc2ccccc2)n[nH]1 41203502 168752935 /nfs/dbraw/zinc/75/29/35/168752935.db2.gz NNPYQEKMMLMFIA-UHFFFAOYSA-N 0 0 186.258 2.503 10 0 AFAERN Cc1cc(CN2CC(F)C2)c(C)s1 306625363 168754516 /nfs/dbraw/zinc/75/45/16/168754516.db2.gz GVPUACUUNIYDDG-UHFFFAOYSA-N 0 0 199.294 2.519 10 0 AFAERN Cc1cc(Cl)c(OC2CC2)cn1 95721064 168759110 /nfs/dbraw/zinc/75/91/10/168759110.db2.gz TUUVUAOLDAEFON-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN Cc1cc(Cl)cc2c1OC[C@@H](C)N2 62522286 168759698 /nfs/dbraw/zinc/75/96/98/168759698.db2.gz PHVUSLOQUMRMCP-SSDOTTSWSA-N 0 0 197.665 2.841 10 0 AFAERN Cc1cc(Cl)cc2c1OCCCN2 62522361 168759908 /nfs/dbraw/zinc/75/99/08/168759908.db2.gz LHRXKPBULKNKFY-UHFFFAOYSA-N 0 0 197.665 2.843 10 0 AFAERN Cc1cc(Cl)c2[nH]c(C=O)cc2c1 37632889 168759909 /nfs/dbraw/zinc/75/99/09/168759909.db2.gz RKRXWYICVSUACX-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN Cc1cc(Cl)cc2c1O[C@@H](C)CN2 62522269 168759940 /nfs/dbraw/zinc/75/99/40/168759940.db2.gz JQKJUUTZNKSUHX-ZETCQYMHSA-N 0 0 197.665 2.841 10 0 AFAERN Cc1cc(Cl)ccc1/C=C/CO 77270355 168760138 /nfs/dbraw/zinc/76/01/38/168760138.db2.gz GQPUCHBXWQBVSZ-NSCUHMNNSA-N 0 0 182.650 2.654 10 0 AFAERN Cc1cc(F)c(F)cc1C 67176066 168760653 /nfs/dbraw/zinc/76/06/53/168760653.db2.gz DDEXEXKNWFMJMX-UHFFFAOYSA-N 0 0 142.148 2.582 10 0 AFAERN Cc1cc(Cl)nc2c(O)cccc12 82788455 168761187 /nfs/dbraw/zinc/76/11/87/168761187.db2.gz GHWZZNHCXFPVID-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1cc(Cl)nnc1-c1ccco1 54930887 168761244 /nfs/dbraw/zinc/76/12/44/168761244.db2.gz FZKQBWXIYDTVCF-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN Cc1cc(Cl)ncc1OC1CC1 95713881 168761385 /nfs/dbraw/zinc/76/13/85/168761385.db2.gz WIOJXEKDRIYHQB-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN Cc1cc(F)cc2c1N[C@H](C)CC2 299889257 168762231 /nfs/dbraw/zinc/76/22/31/168762231.db2.gz GNHMEXHLWZHWNC-MRVPVSSYSA-N 0 0 179.238 2.881 10 0 AFAERN Cc1cc(F)cc2[nH]nc(Cl)c12 14984776 168762998 /nfs/dbraw/zinc/76/29/98/168762998.db2.gz ZODLUCHCMUOSLU-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN Cc1cc(F)cc2[nH]ccc12 14984650 168763418 /nfs/dbraw/zinc/76/34/18/168763418.db2.gz FBQSMVHWHHQNAA-UHFFFAOYSA-N 0 0 149.168 2.615 10 0 in-vitro AFAERN Cc1cc(N(C)C(C)C)ccc1C=O 50569382 168764189 /nfs/dbraw/zinc/76/41/89/168764189.db2.gz DEJCLRLEJVNMKB-UHFFFAOYSA-N 0 0 191.274 2.652 10 0 AFAERN Cc1cc(N)c(-c2ccccc2)[nH]1 39651439 168764341 /nfs/dbraw/zinc/76/43/41/168764341.db2.gz SQMSCLMXVDXEBV-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Cc1cc(N)c2c(c1)CCCS2 82396855 168764373 /nfs/dbraw/zinc/76/43/73/168764373.db2.gz FLKLTHSMCXZFBZ-UHFFFAOYSA-N 0 0 179.288 2.616 10 0 AFAERN Cc1cc(N(C)C)c(Cl)c(N)c1C 83230453 168764744 /nfs/dbraw/zinc/76/47/44/168764744.db2.gz JVCMQDWBJKMJDD-UHFFFAOYSA-N 0 0 198.697 2.605 10 0 AFAERN Cc1cc(N)c2oc(C(C)C)nc2c1 41568805 168765305 /nfs/dbraw/zinc/76/53/05/168765305.db2.gz APVCYOKGPSZUHU-UHFFFAOYSA-N 0 0 190.246 2.842 10 0 AFAERN Cc1cc(N)ccc1O[C@H](C)C1CC1 141014778 168765326 /nfs/dbraw/zinc/76/53/26/168765326.db2.gz FRTYOUVKOCOGLE-SECBINFHSA-N 0 0 191.274 2.755 10 0 AFAERN Cc1cc(N)ccc1-c1ccco1 41048851 168765952 /nfs/dbraw/zinc/76/59/52/168765952.db2.gz FJPPJQZUZLFPLN-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Cc1cc(N)c2nc(C)cc(C)c2c1 40544527 168766204 /nfs/dbraw/zinc/76/62/04/168766204.db2.gz RKOHTMXKUYLGEF-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN Cc1cc(N)ccc1OC1CCCC1 34978399 168766465 /nfs/dbraw/zinc/76/64/65/168766465.db2.gz KXCKFOVIVOACQM-UHFFFAOYSA-N 0 0 191.274 2.899 10 0 AFAERN Cc1cc(N)c2oc(C3CC3)nc2c1 41568797 168766469 /nfs/dbraw/zinc/76/64/69/168766469.db2.gz HWDCFXTZKVZIKE-UHFFFAOYSA-N 0 0 188.230 2.596 10 0 AFAERN Cc1cc(N)n([C@@H](C)C2CCCC2)n1 54081620 168767715 /nfs/dbraw/zinc/76/77/15/168767715.db2.gz GIFHHFUHNRLBMS-VIFPVBQESA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)n([C@H]2CCCC[C@H]2C)n1 43664156 168767803 /nfs/dbraw/zinc/76/78/03/168767803.db2.gz YLRXGWUADKKJQG-SCZZXKLOSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)n([C@@H]2CCCC[C@@H]2C)n1 43666831 168768020 /nfs/dbraw/zinc/76/80/20/168768020.db2.gz YLRXGWUADKKJQG-WCBMZHEXSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)n([C@H]2CCCC[C@@H]2C)n1 43666832 168768404 /nfs/dbraw/zinc/76/84/04/168768404.db2.gz YLRXGWUADKKJQG-WPRPVWTQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(NCCC(C)(C)C)n[nH]1 83340659 168771355 /nfs/dbraw/zinc/77/13/55/168771355.db2.gz VTZZPLZEHDYISD-UHFFFAOYSA-N 0 0 181.283 2.566 10 0 AFAERN Cc1cc(NCC2CCCCC2)n[nH]1 83342040 168772288 /nfs/dbraw/zinc/77/22/88/168772288.db2.gz HHKYWQRFCAOTCF-UHFFFAOYSA-N 0 0 193.294 2.710 10 0 AFAERN Cc1cc(NCc2cccs2)on1 83342136 168772645 /nfs/dbraw/zinc/77/26/45/168772645.db2.gz GABZMKYGWFALAU-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN Cc1cc(NCC2CCCCC2)no1 83342156 168772697 /nfs/dbraw/zinc/77/26/97/168772697.db2.gz KJYJHGLAKXVKOB-UHFFFAOYSA-N 0 0 194.278 2.975 10 0 AFAERN Cc1cc(NCc2ccccc2)on1 83341357 168772824 /nfs/dbraw/zinc/77/28/24/168772824.db2.gz KAYMLHZPOWMRFY-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1cc(O)c2c(c1)OC(C)(C)CC2 75580853 168773176 /nfs/dbraw/zinc/77/31/76/168773176.db2.gz CUHHPKOEKDJHTI-UHFFFAOYSA-N 0 0 192.258 2.804 10 0 AFAERN Cc1cc(O)c(C(C)(C)C)cc1N 5011211 168773766 /nfs/dbraw/zinc/77/37/66/168773766.db2.gz XEGDYCNFKQYDHS-UHFFFAOYSA-N 0 0 179.263 2.580 10 0 AFAERN Cc1cc(O)cc(CC2CC2)c1 95710932 168774823 /nfs/dbraw/zinc/77/48/23/168774823.db2.gz VZDXWOPJOZHTQJ-UHFFFAOYSA-N 0 0 162.232 2.653 10 0 AFAERN Cc1cc(OC(C)C)ccc1[C@H](C)O 39321421 168775068 /nfs/dbraw/zinc/77/50/68/168775068.db2.gz ZCDJQWNEVXEUTG-JTQLQIEISA-N 0 0 194.274 2.836 10 0 AFAERN Cc1cc(OC2CC2)c(Cl)cn1 95720381 168775228 /nfs/dbraw/zinc/77/52/28/168775228.db2.gz YYOHDWPWTNCCMA-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN Cc1cc(OC(C)(C)C)ccc1C=O 75844169 168775863 /nfs/dbraw/zinc/77/58/63/168775863.db2.gz OPWCDERKVKPFFY-UHFFFAOYSA-N 0 0 192.258 2.985 10 0 AFAERN Cc1cc(O)ccc1C(C)(C)C 2039616 168776132 /nfs/dbraw/zinc/77/61/32/168776132.db2.gz JKINPMFPGULFQY-UHFFFAOYSA-N 0 0 164.248 2.998 10 0 AFAERN Cc1cc(OC(C)C)ccc1C=O 75568524 168776204 /nfs/dbraw/zinc/77/62/04/168776204.db2.gz HPZOYTGEBKZHCI-UHFFFAOYSA-N 0 0 178.231 2.595 10 0 AFAERN Cc1cc(O)cc2c1OC(C)(C)CC2 138814493 168776298 /nfs/dbraw/zinc/77/62/98/168776298.db2.gz BKALSUSZFCSQDJ-UHFFFAOYSA-N 0 0 192.258 2.804 10 0 AFAERN Cc1cc(O)ccc1-c1ccncc1 47216216 168776773 /nfs/dbraw/zinc/77/67/73/168776773.db2.gz ZLCWORFBHVKWGS-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1cc([C@@H](C)O)c2ccccc2n1 38888436 168778479 /nfs/dbraw/zinc/77/84/79/168778479.db2.gz XTYJKHWAOZYQLU-SECBINFHSA-N 0 0 187.242 2.597 10 0 AFAERN Cc1cc([C@@H](C)O)ccc1OC(C)C 39321399 168778583 /nfs/dbraw/zinc/77/85/83/168778583.db2.gz JZWXYAAFBHWBRI-SNVBAGLBSA-N 0 0 194.274 2.836 10 0 AFAERN Cc1cc([C@@H]2CCC(=O)O2)ccc1F 49807325 168779559 /nfs/dbraw/zinc/77/95/59/168779559.db2.gz KJXGEOAQHOXPSQ-JTQLQIEISA-N 0 0 194.205 2.512 10 0 AFAERN Cc1cc([C@@H](O)C(C)C)ccc1F 32007582 168779785 /nfs/dbraw/zinc/77/97/85/168779785.db2.gz CUABKIHVLLBGTK-NSHDSACASA-N 0 0 182.238 2.824 10 0 AFAERN Cc1cc([C@H](C)O)ccc1OC(C)C 39321401 168781465 /nfs/dbraw/zinc/78/14/65/168781465.db2.gz JZWXYAAFBHWBRI-JTQLQIEISA-N 0 0 194.274 2.836 10 0 AFAERN Cc1cc([C@H](CO)C(C)C)ccc1F 41207363 168781627 /nfs/dbraw/zinc/78/16/27/168781627.db2.gz GWMDBQVBICACEP-LLVKDONJSA-N 0 0 196.265 2.866 10 0 AFAERN Cc1cc([C@H]2CCCO2)ccc1F 49805628 168782799 /nfs/dbraw/zinc/78/27/99/168782799.db2.gz WAEYCYWRKOQBAX-LLVKDONJSA-N 0 0 180.222 2.986 10 0 AFAERN Cc1cc([C@H](O)C2CC2)c(C)s1 40257161 168783106 /nfs/dbraw/zinc/78/31/06/168783106.db2.gz WBHAUGLQUSFQCS-SNVBAGLBSA-N 0 0 182.288 2.808 10 0 AFAERN Cc1cc2[nH]cc(CO)c2cc1Cl 299888991 168784355 /nfs/dbraw/zinc/78/43/55/168784355.db2.gz BPTHUVIAVMWOLY-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN Cc1cc2c(C(C)C)nccn2c1 39104776 168784571 /nfs/dbraw/zinc/78/45/71/168784571.db2.gz OVCYTSKVQSGSOB-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN Cc1cc2c(C)c(C)n(C)c2cc1N 76633182 168784898 /nfs/dbraw/zinc/78/48/98/168784898.db2.gz LVCRNOMQIGBNBT-UHFFFAOYSA-N 0 0 188.274 2.686 10 0 AFAERN Cc1cc2c(C)nc(C)c(C)n2c1 39114531 168785028 /nfs/dbraw/zinc/78/50/28/168785028.db2.gz IGNRMBDEFGJQJE-UHFFFAOYSA-N 0 0 174.247 2.568 10 0 AFAERN Cc1cc2c(C)nccc2s1 39123467 168785531 /nfs/dbraw/zinc/78/55/31/168785531.db2.gz PQPPUHUMSCHQGP-UHFFFAOYSA-N 0 0 163.245 2.913 10 0 AFAERN Cc1cc2c(C)cc(O)cc2o1 39136404 168785606 /nfs/dbraw/zinc/78/56/06/168785606.db2.gz VHSRCCXGBGPQOR-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1cc2c(C)c(C)[nH]c2cc1N 34742552 168785842 /nfs/dbraw/zinc/78/58/42/168785842.db2.gz HMOWERPAXOQSFI-UHFFFAOYSA-N 0 0 174.247 2.675 10 0 AFAERN Cc1cc2c([C@@H](C)O)cccc2cn1 82778288 168786185 /nfs/dbraw/zinc/78/61/85/168786185.db2.gz CRFBNECQXGGEKF-SECBINFHSA-N 0 0 187.242 2.597 10 0 AFAERN Cc1cc2c(cc1C)C(=O)C[C@@H](C)N2 71481905 168786234 /nfs/dbraw/zinc/78/62/34/168786234.db2.gz WPZAJJZSFLXADR-SECBINFHSA-N 0 0 189.258 2.690 10 0 AFAERN Cc1cc2c([nH]c1=O)[C@@H](C)CC[C@@H]2C 49806779 168786591 /nfs/dbraw/zinc/78/65/91/168786591.db2.gz HNAMTEBSVJDKPN-YUMQZZPRSA-N 0 0 191.274 2.684 10 0 AFAERN Cc1cc2c([C@H](C)O)cccc2cn1 82778289 168786600 /nfs/dbraw/zinc/78/66/00/168786600.db2.gz CRFBNECQXGGEKF-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN Cc1cc2c(cc1C)N[C@@H](C)CN2 57923055 168786964 /nfs/dbraw/zinc/78/69/64/168786964.db2.gz WXCZOPWVRGQMKE-VIFPVBQESA-N 0 0 176.263 2.529 10 0 AFAERN Cc1cc2c([nH]c1=O)[C@H](C)CC[C@@H]2C 49806778 168787085 /nfs/dbraw/zinc/78/70/85/168787085.db2.gz HNAMTEBSVJDKPN-JGVFFNPUSA-N 0 0 191.274 2.684 10 0 AFAERN Cc1cc2c(cc1C)C(=O)[C@H](C)CN2 71481862 168787111 /nfs/dbraw/zinc/78/71/11/168787111.db2.gz BXBNZBDDKBKFPF-SECBINFHSA-N 0 0 189.258 2.548 10 0 AFAERN Cc1cc2cc(C=O)ccc2o1 20440642 168787696 /nfs/dbraw/zinc/78/76/96/168787696.db2.gz XHNZTDLRVWGECR-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN Cc1cc2cc(Cl)c(C=O)cc2[nH]1 76635973 168787871 /nfs/dbraw/zinc/78/78/71/168787871.db2.gz VRFYHSZPZADWBI-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN Cc1cc2c(n1C(C)C)CCC2 39103886 168788113 /nfs/dbraw/zinc/78/81/13/168788113.db2.gz KCXLMCSBWXSMEI-UHFFFAOYSA-N 0 0 163.264 2.866 10 0 AFAERN Cc1cc2c(cc1Cl)O[C@H](C)CN2 62522272 168788455 /nfs/dbraw/zinc/78/84/55/168788455.db2.gz LAWRIFCPOIUMBG-SSDOTTSWSA-N 0 0 197.665 2.841 10 0 AFAERN Cc1cc2c(cc1F)C(=O)CCS2 82385827 168788498 /nfs/dbraw/zinc/78/84/98/168788498.db2.gz IOJGAZSIIZQSKR-UHFFFAOYSA-N 0 0 196.246 2.813 10 0 AFAERN Cc1cc2cc(C)c(N)cc2cc1N 75577337 168788539 /nfs/dbraw/zinc/78/85/39/168788539.db2.gz KMYSGMSIHSWMMD-UHFFFAOYSA-N 0 0 186.258 2.621 10 0 AFAERN Cc1cc2cc(C)c(O)cc2cc1O 34087408 168788642 /nfs/dbraw/zinc/78/86/42/168788642.db2.gz MBUNUNPVOWANAS-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN Cc1cc2c(n1C1CC1)CCCC2=O 41705090 168789040 /nfs/dbraw/zinc/78/90/40/168789040.db2.gz CWKQDHBWYKKCOE-UHFFFAOYSA-N 0 0 189.258 2.650 10 0 AFAERN Cc1cc2ccc(C=O)cc2o1 39136376 168789961 /nfs/dbraw/zinc/78/99/61/168789961.db2.gz HDFGYIQAKGZZKY-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN Cc1cc2cccc(C)c2nc1C=O 37631473 168790262 /nfs/dbraw/zinc/79/02/62/168790262.db2.gz TXBQGMIGZUKAQR-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN Cc1cc2ccccc(=O)c2s1 196010969 168790405 /nfs/dbraw/zinc/79/04/05/168790405.db2.gz FWGJBICYTYTGBS-UHFFFAOYSA-N 0 0 176.240 2.570 10 0 AFAERN Cc1cc2cccnc2s1 112940346 168790616 /nfs/dbraw/zinc/79/06/16/168790616.db2.gz ITXHYKBXKRUJNO-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN Cc1cc2sccc2cn1 1683092 168791522 /nfs/dbraw/zinc/79/15/22/168791522.db2.gz LGLICFZQNLVOLJ-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN Cc1cc2occc2cc1F 39088408 168791786 /nfs/dbraw/zinc/79/17/86/168791786.db2.gz WAPSWMZESKFQTG-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN Cc1ccc(-c2ccccc2O)cn1 35881991 168792815 /nfs/dbraw/zinc/79/28/15/168792815.db2.gz WPXQOFZJEHRVDD-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccc(-c2ccc(N)nc2)c(C)c1 41209423 168792858 /nfs/dbraw/zinc/79/28/58/168792858.db2.gz KHGFRAYDLRUGNR-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(-c2cccc(N)c2)cc1O 65340217 168792943 /nfs/dbraw/zinc/79/29/43/168792943.db2.gz LMYZKLIVYFZNRL-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN Cc1ccc(-c2cccc(CO)n2)cc1 35630146 168793005 /nfs/dbraw/zinc/79/30/05/168793005.db2.gz MXJQSWKRXOHGHD-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1ccc(-c2ccc[nH]c2=O)c(C)c1 65337723 168793457 /nfs/dbraw/zinc/79/34/57/168793457.db2.gz MJOSCCJHHJLKMF-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1ccc(-c2c(C)noc2N)cc1 19045587 168793760 /nfs/dbraw/zinc/79/37/60/168793760.db2.gz KWAOIMTYDDQVOO-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(-c2cccc(=O)[nH]2)c(C)c1 65337729 168793780 /nfs/dbraw/zinc/79/37/80/168793780.db2.gz XLWPMZSBFQEEGH-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1ccc(-c2ccc(N)cc2F)o1 43474374 168793931 /nfs/dbraw/zinc/79/39/31/168793931.db2.gz UTPKWNXHEXPWTB-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1ccc(-c2cnoc2N)c(C)c1 49806266 168794411 /nfs/dbraw/zinc/79/44/11/168794411.db2.gz NQXPXQQXNIILDO-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(-c2ccno2)s1 39113197 168794490 /nfs/dbraw/zinc/79/44/90/168794490.db2.gz ZDPFRUDQPUUDEZ-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN Cc1ccc(-c2nc(N)oc2C)cc1 50266293 168794502 /nfs/dbraw/zinc/79/45/02/168794502.db2.gz ORGRFROMGRPQDI-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(-c2cccnc2)o1 201661980 168794684 /nfs/dbraw/zinc/79/46/84/168794684.db2.gz NSSIVCNPMXKXMQ-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1ccc(-c2ncc(N)s2)cc1 44119754 168794794 /nfs/dbraw/zinc/79/47/94/168794794.db2.gz MZHKFFLCTZOUHV-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(-c2ccncc2)c(F)n1 47213477 168794827 /nfs/dbraw/zinc/79/48/27/168794827.db2.gz COQOFJCFWDPXLX-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1ccc(-c2cnc(N)o2)c(C)c1 41204157 168794881 /nfs/dbraw/zinc/79/48/81/168794881.db2.gz RUIAGBCKVDKFNE-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(-c2cnc(N)o2)cc1C 41204143 168794971 /nfs/dbraw/zinc/79/49/71/168794971.db2.gz LJOSLJUOQJUEGI-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(-c2cnoc2N)cc1C 61681341 168794973 /nfs/dbraw/zinc/79/49/73/168794973.db2.gz TZRFUMVXCZYRLS-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(-c2ccncc2)cc1O 47216219 168795090 /nfs/dbraw/zinc/79/50/90/168795090.db2.gz DQZIWAYZSOHRAH-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccc(-c2ncc(N)o2)cc1C 71500140 168795114 /nfs/dbraw/zinc/79/51/14/168795114.db2.gz PONMFBVUKMEXLY-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(-c2cn[nH]c2)c(C)c1 49805063 168795209 /nfs/dbraw/zinc/79/52/09/168795209.db2.gz KEMRXPCSWJDRCU-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN Cc1ccc(-c2nc3cccnc3[nH]2)o1 44264773 168795357 /nfs/dbraw/zinc/79/53/57/168795357.db2.gz MCXLGZZGLGNRIQ-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN Cc1ccc(-c2ccco2)cc1N 41048856 168795529 /nfs/dbraw/zinc/79/55/29/168795529.db2.gz ZLFLUVQYGJMPCB-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Cc1ccc(-c2coc(N)n2)cc1C 50266316 168795829 /nfs/dbraw/zinc/79/58/29/168795829.db2.gz HVZOOOYWKIIECU-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(-c2ncco2)cc1C 58518544 168795839 /nfs/dbraw/zinc/79/58/39/168795839.db2.gz JTNDJDKCUYSWHS-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1ccc(-n2cccc2)c(F)c1 35120324 168796009 /nfs/dbraw/zinc/79/60/09/168796009.db2.gz ILDZCBIBWILXNM-UHFFFAOYSA-N 0 0 175.206 2.925 10 0 AFAERN Cc1ccc(/C=C/[C@@H](C)O)c(C)c1 77266296 168796380 /nfs/dbraw/zinc/79/63/80/168796380.db2.gz RCXVSJAONFUEDV-OKPNEXGHSA-N 0 0 176.259 2.697 10 0 AFAERN Cc1ccc(C(=O)CC(C)C)o1 43609042 168798517 /nfs/dbraw/zinc/79/85/17/168798517.db2.gz NNBIAMCWFLRLFY-UHFFFAOYSA-N 0 0 166.220 2.817 10 0 AFAERN Cc1ccc(C(=O)CC(F)(F)F)o1 43609141 168798531 /nfs/dbraw/zinc/79/85/31/168798531.db2.gz FUVJLBIYTFCWSP-UHFFFAOYSA-N 0 0 192.136 2.723 10 0 AFAERN Cc1ccc(C(=O)C(C)C)c(O)c1C 41205942 168799032 /nfs/dbraw/zinc/79/90/32/168799032.db2.gz SNECRJUBZHJNMH-UHFFFAOYSA-N 0 0 192.258 2.848 10 0 AFAERN Cc1ccc(C(=O)CC2CC2)o1 49844604 168799238 /nfs/dbraw/zinc/79/92/38/168799238.db2.gz SVAXLIUUKIMCLR-UHFFFAOYSA-N 0 0 164.204 2.571 10 0 AFAERN Cc1ccc(C(=O)c2cccs2)o1 35368958 168801671 /nfs/dbraw/zinc/80/16/71/168801671.db2.gz HOFXPGPJZCLJPH-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1ccc(C(C)(C)CO)c(C)c1 58519211 168801884 /nfs/dbraw/zinc/80/18/84/168801884.db2.gz ZNUVMOJJNCRPNM-UHFFFAOYSA-N 0 0 178.275 2.573 10 0 AFAERN Cc1ccc(C(=O)c2cccn2C)cc1 5698667 168802215 /nfs/dbraw/zinc/80/22/15/168802215.db2.gz WKUBFPPJDMDEFL-UHFFFAOYSA-N 0 0 199.253 2.565 10 0 AFAERN Cc1ccc(C(C)C)cc1C(=O)C=O 77275142 168802503 /nfs/dbraw/zinc/80/25/03/168802503.db2.gz FWGQFZCJKXJORD-UHFFFAOYSA-N 0 0 190.242 2.500 10 0 AFAERN Cc1ccc(C(=O)[C@H]2C[C@H]2C)cc1 36942830 168802533 /nfs/dbraw/zinc/80/25/33/168802533.db2.gz RZLXVRDQNQTWNS-KOLCDFICSA-N 0 0 174.243 2.834 10 0 AFAERN Cc1ccc(C(C)C)c(OC#N)c1 39104869 168802555 /nfs/dbraw/zinc/80/25/55/168802555.db2.gz FMFQHOWYPTUVLQ-UHFFFAOYSA-N 0 0 175.231 2.978 10 0 AFAERN Cc1ccc(C(=O)c2ccoc2)s1 35368975 168802609 /nfs/dbraw/zinc/80/26/09/168802609.db2.gz NVNOUIUYRIBIBI-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1ccc(C(=O)c2ccco2)s1 35368979 168802750 /nfs/dbraw/zinc/80/27/50/168802750.db2.gz IFAVFPKJAVHOKN-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1ccc(C(C)C)c(CCO)c1 149185979 168803062 /nfs/dbraw/zinc/80/30/62/168803062.db2.gz BJOSSYGSAVMNCR-UHFFFAOYSA-N 0 0 178.275 2.653 10 0 AFAERN Cc1ccc(C)c(Cc2c[nH]cn2)c1 34317800 168803381 /nfs/dbraw/zinc/80/33/81/168803381.db2.gz XXDJILPXHJZWJM-UHFFFAOYSA-N 0 0 186.258 2.617 10 0 AFAERN Cc1ccc(C)c(/C=C\[N+](=O)[O-])c1 83310043 168803439 /nfs/dbraw/zinc/80/34/39/168803439.db2.gz XWLBANLDXLJDFZ-WAYWQWQTSA-N 0 0 177.203 2.551 10 0 AFAERN Cc1ccc(C)c(-c2ccc[nH]c2=O)c1 65337708 168803442 /nfs/dbraw/zinc/80/34/42/168803442.db2.gz BSCYNAMRQXFUQM-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1ccc(C)c(CC[C@@H](C)O)c1 43656803 168803692 /nfs/dbraw/zinc/80/36/92/168803692.db2.gz OELGGCFHHBXXFF-LLVKDONJSA-N 0 0 178.275 2.617 10 0 AFAERN Cc1ccc(C)c(C2(C)OCCO2)c1 57488594 168804113 /nfs/dbraw/zinc/80/41/13/168804113.db2.gz XWQRUYZPVHFYIZ-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN Cc1ccc(C)c(-c2cc[nH]n2)c1 42415021 168804174 /nfs/dbraw/zinc/80/41/74/168804174.db2.gz ZRASVMWKOLCWLV-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN Cc1ccc(C)c(-c2cnc(N)o2)c1 41204145 168804224 /nfs/dbraw/zinc/80/42/24/168804224.db2.gz UIKMQNPOKMXKQI-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(C)c(-c2ncccc2N)c1 71507718 168804226 /nfs/dbraw/zinc/80/42/26/168804226.db2.gz NXGVOIVMGZPZRN-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(C)c(-c2cnoc2N)c1 49806264 168804279 /nfs/dbraw/zinc/80/42/79/168804279.db2.gz JYNGSHOELHFIHJ-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(C)c(C[C@@H](C)[C@H](C)O)c1 41206012 168804316 /nfs/dbraw/zinc/80/43/16/168804316.db2.gz MYLDXFPYHZQZCF-NEPJUHHUSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1ccc(C)c(-c2ccc(=O)[nH]c2)c1 65337713 168804421 /nfs/dbraw/zinc/80/44/21/168804421.db2.gz ZPFBUXSRGZGPGC-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1ccc(C)c(/C=C/[C@H](C)O)c1 77266290 168804459 /nfs/dbraw/zinc/80/44/59/168804459.db2.gz AHXWLSFZJNVUKK-MLRMMBSGSA-N 0 0 176.259 2.697 10 0 AFAERN Cc1ccc(C)c(C(C)(C)CO)c1 58519207 168804519 /nfs/dbraw/zinc/80/45/19/168804519.db2.gz PVQRRZICWHJHHL-UHFFFAOYSA-N 0 0 178.275 2.573 10 0 AFAERN Cc1ccc(C)c(C[C@H](C)[C@@H](C)O)c1 41206011 168804538 /nfs/dbraw/zinc/80/45/38/168804538.db2.gz MYLDXFPYHZQZCF-NWDGAFQWSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1ccc(C)c(OC2CC2)c1 95726462 168805002 /nfs/dbraw/zinc/80/50/02/168805002.db2.gz RKDRWQUKFKUICP-UHFFFAOYSA-N 0 0 162.232 2.845 10 0 AFAERN Cc1ccc(C)c([C@H](O)C(C)C)c1 32007199 168805084 /nfs/dbraw/zinc/80/50/84/168805084.db2.gz JTJZTXWESMBZAL-GFCCVEGCSA-N 0 0 178.275 2.993 10 0 AFAERN Cc1ccc(C)c([C@H](O)C(C)C)c1O 39420219 168805388 /nfs/dbraw/zinc/80/53/88/168805388.db2.gz ZUMVKJBKBHNCGH-LLVKDONJSA-N 0 0 194.274 2.698 10 0 AFAERN Cc1ccc(C)c2c1NC[C@H](C)CO2 62521323 168806272 /nfs/dbraw/zinc/80/62/72/168806272.db2.gz WRFDVIMDEUPBPZ-QMMMGPOBSA-N 0 0 191.274 2.744 10 0 AFAERN Cc1ccc(C)c2c1C=CCN2 71479738 168806285 /nfs/dbraw/zinc/80/62/85/168806285.db2.gz HVNWXMJTFMELQT-UHFFFAOYSA-N 0 0 159.232 2.742 10 0 AFAERN Cc1ccc(C)c([C@H]2CCC(=O)O2)c1 36448409 168806980 /nfs/dbraw/zinc/80/69/80/168806980.db2.gz JISKXRNPMHESIF-LLVKDONJSA-N 0 0 190.242 2.682 10 0 AFAERN Cc1ccc(C)c2c1CCCC(=O)N2 57936712 168807134 /nfs/dbraw/zinc/80/71/34/168807134.db2.gz KMMJEFBYRCPWFR-UHFFFAOYSA-N 0 0 189.258 2.578 10 0 AFAERN Cc1ccc(C)c2c1NCC[C@@H](C)O2 62521394 168807415 /nfs/dbraw/zinc/80/74/15/168807415.db2.gz CCPABVZUMWBSSJ-SNVBAGLBSA-N 0 0 191.274 2.886 10 0 AFAERN Cc1ccc(C)c2c1N[C@H](C)C[C@H]2O 71481615 168807517 /nfs/dbraw/zinc/80/75/17/168807517.db2.gz UZYCQZYPAJJNRD-NXEZZACHSA-N 0 0 191.274 2.541 10 0 AFAERN Cc1ccc(C)c2c1CCCN2 22172124 168807644 /nfs/dbraw/zinc/80/76/44/168807644.db2.gz URCVRYOYRPHYDE-UHFFFAOYSA-N 0 0 161.248 2.662 10 0 AFAERN Cc1ccc(C)n1C[C@H]1CCCOC1 44982674 168807972 /nfs/dbraw/zinc/80/79/72/168807972.db2.gz CEQBBPVANWJRLC-GFCCVEGCSA-N 0 0 193.290 2.532 10 0 AFAERN Cc1ccc(C)n1[C@@H](C)[C@@H]1CCCO1 35736537 168808171 /nfs/dbraw/zinc/80/81/71/168808171.db2.gz JALQRBQTRIEJDE-RYUDHWBXSA-N 0 0 193.290 2.845 10 0 AFAERN Cc1ccc(C)n1CCc1ccco1 42593110 168808242 /nfs/dbraw/zinc/80/82/42/168808242.db2.gz CQJZAWLZDIEWLF-UHFFFAOYSA-N 0 0 189.258 2.941 10 0 AFAERN Cc1ccc(C)n1C[C@H]1CCCCO1 42824353 168808673 /nfs/dbraw/zinc/80/86/73/168808673.db2.gz HQSMYRFZUAYQHY-GFCCVEGCSA-N 0 0 193.290 2.674 10 0 AFAERN Cc1ccc(C)n1CC(F)(F)F 3181156 168808925 /nfs/dbraw/zinc/80/89/25/168808925.db2.gz MJVDWHZTOATXLC-UHFFFAOYSA-N 0 0 177.169 2.667 10 0 AFAERN Cc1ccc(C)n1[C@@H]1CCCC[C@H]1O 52008836 168809157 /nfs/dbraw/zinc/80/91/57/168809157.db2.gz PFGULKTZMDTRIV-VXGBXAGGSA-N 0 0 193.290 2.581 10 0 AFAERN Cc1ccc(CC2CC2)cc1O 95710946 168809874 /nfs/dbraw/zinc/80/98/74/168809874.db2.gz SMAAZTYYGMTVHX-UHFFFAOYSA-N 0 0 162.232 2.653 10 0 AFAERN Cc1ccc(CC(=O)[C@@H]2C[C@H]2C)cc1 38126983 168810145 /nfs/dbraw/zinc/81/01/45/168810145.db2.gz XYXKMPOUOLVWKG-ZYHUDNBSSA-N 0 0 188.270 2.763 10 0 AFAERN Cc1ccc(CC[C@H](O)C(C)C)cc1 43657979 168811840 /nfs/dbraw/zinc/81/18/40/168811840.db2.gz WLAGLTDKFJQUIS-ZDUSSCGKSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1ccc(CO)c(C(F)(F)F)c1 2382314 168815637 /nfs/dbraw/zinc/81/56/37/168815637.db2.gz PIARMXRDAWRMKW-UHFFFAOYSA-N 0 0 190.164 2.506 10 0 AFAERN Cc1ccc(C[C@@H](O)C2CC2)cc1C 49669357 168815639 /nfs/dbraw/zinc/81/56/39/168815639.db2.gz APAAUSUXDLMKQM-CYBMUJFWSA-N 0 0 190.286 2.617 10 0 AFAERN Cc1ccc(C[C@@H](O)C(C)C)cc1C 49669330 168815770 /nfs/dbraw/zinc/81/57/70/168815770.db2.gz XVWOOEUNMYTELG-CYBMUJFWSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1ccc(C[C@@H](O)C(C)C)cc1 32007225 168816124 /nfs/dbraw/zinc/81/61/24/168816124.db2.gz IYZSCNGOEFLTRJ-GFCCVEGCSA-N 0 0 178.275 2.554 10 0 AFAERN Cc1ccc(CO[C@H]2CCCO2)cc1 36404695 168816639 /nfs/dbraw/zinc/81/66/39/168816639.db2.gz SUSZBTYLNKEGSB-LBPRGKRZSA-N 0 0 192.258 2.648 10 0 AFAERN Cc1ccc(CO)c(C(C)C)c1 39120400 168816741 /nfs/dbraw/zinc/81/67/41/168816741.db2.gz KVZZINREKVBIJF-UHFFFAOYSA-N 0 0 164.248 2.611 10 0 AFAERN Cc1ccc(C[C@H](O)C(C)C)cc1C 49669329 168816990 /nfs/dbraw/zinc/81/69/90/168816990.db2.gz XVWOOEUNMYTELG-ZDUSSCGKSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1ccc(C[C@H]2CCC[C@@H]2O)cc1 43656100 168817126 /nfs/dbraw/zinc/81/71/26/168817126.db2.gz OWLVPEBINQGMHA-OLZOCXBDSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc(Cl)c2c1N[C@H](C)CO2 62522355 168817228 /nfs/dbraw/zinc/81/72/28/168817228.db2.gz RTQCMVDQRHGHDX-SSDOTTSWSA-N 0 0 197.665 2.841 10 0 AFAERN Cc1ccc(Cl)c2c1C(=O)CCN2 82386138 168817453 /nfs/dbraw/zinc/81/74/53/168817453.db2.gz OOKCMUWZFHKJMR-UHFFFAOYSA-N 0 0 195.649 2.647 10 0 AFAERN Cc1ccc(Cl)c2c(C=O)c[nH]c12 59731166 168817465 /nfs/dbraw/zinc/81/74/65/168817465.db2.gz CBHLIWBOSMHOEB-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN Cc1ccc(C[C@@](C)(O)C2CC2)cc1 37463676 168817692 /nfs/dbraw/zinc/81/76/92/168817692.db2.gz DELUNDCCSXRQOV-CYBMUJFWSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc(C[C@H]2CCCO2)cc1 21991355 168818019 /nfs/dbraw/zinc/81/80/19/168818019.db2.gz NFVJBKXNUILGFU-GFCCVEGCSA-N 0 0 176.259 2.717 10 0 AFAERN Cc1ccc(C[C@](C)(O)C(C)C)cc1 37463628 168818142 /nfs/dbraw/zinc/81/81/42/168818142.db2.gz POSRRLYQXPFRRZ-ZDUSSCGKSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1ccc(Cl)cc1/C=C/CO 77270350 168819183 /nfs/dbraw/zinc/81/91/83/168819183.db2.gz SWQZZQVXTFBGQI-NSCUHMNNSA-N 0 0 182.650 2.654 10 0 AFAERN Cc1ccc(F)cc1NCC(F)F 37755793 168821161 /nfs/dbraw/zinc/82/11/61/168821161.db2.gz CGGVILTVTJSWDG-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN Cc1ccc(N)c(-c2nccs2)c1 75579925 168822130 /nfs/dbraw/zinc/82/21/30/168822130.db2.gz BTOGHWINWFTOQI-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(N)cc1N1CCC[C@H]1C 53735139 168822153 /nfs/dbraw/zinc/82/21/53/168822153.db2.gz KUROHDMWJPMEEW-SNVBAGLBSA-N 0 0 190.290 2.566 10 0 AFAERN Cc1ccc(N)cc1N[C@@H]1CC1(C)C 53735535 168822386 /nfs/dbraw/zinc/82/23/86/168822386.db2.gz HRXWKXFEDNIPSW-LLVKDONJSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(N)cc1NCC(C)C 53734519 168822775 /nfs/dbraw/zinc/82/27/75/168822775.db2.gz AAVPYOVEVNPTPC-UHFFFAOYSA-N 0 0 178.279 2.645 10 0 AFAERN Cc1ccc(N2CCCC2)cc1C 34479449 168824470 /nfs/dbraw/zinc/82/44/70/168824470.db2.gz XFSRNTLFPLMILH-UHFFFAOYSA-N 0 0 175.275 2.904 10 0 AFAERN Cc1ccc(NC(C)C)c(C)c1O 37130597 168825161 /nfs/dbraw/zinc/82/51/61/168825161.db2.gz PZTAJFDZQFMKPL-UHFFFAOYSA-N 0 0 179.263 2.829 10 0 AFAERN Cc1ccc(NCC(C)C)cc1N 61700800 168825221 /nfs/dbraw/zinc/82/52/21/168825221.db2.gz RWJUYQKCSZJEMY-UHFFFAOYSA-N 0 0 178.279 2.645 10 0 AFAERN Cc1ccc(NC(C)(C)C)c(N)c1 37401329 168825380 /nfs/dbraw/zinc/82/53/80/168825380.db2.gz VSHJKYQJQCLISB-UHFFFAOYSA-N 0 0 178.279 2.788 10 0 AFAERN Cc1ccc(NCC(F)F)cc1F 37755796 168825488 /nfs/dbraw/zinc/82/54/88/168825488.db2.gz RWLRPFAPUGKPKT-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN Cc1ccc(NC[C@H]2CCCO2)cc1 20055924 168825505 /nfs/dbraw/zinc/82/55/05/168825505.db2.gz VRJYZHNJECBLDB-GFCCVEGCSA-N 0 0 191.274 2.586 10 0 AFAERN Cc1ccc(NC2CC2)cc1C 82710782 168825660 /nfs/dbraw/zinc/82/56/60/168825660.db2.gz RRJYAKRVELLZCB-UHFFFAOYSA-N 0 0 161.248 2.878 10 0 AFAERN Cc1ccc(NC(C)(C)C)cc1N 5419940 168826034 /nfs/dbraw/zinc/82/60/34/168826034.db2.gz JYBTVKOMMYMILH-UHFFFAOYSA-N 0 0 178.279 2.788 10 0 AFAERN Cc1ccc(NC2CSC2)c(C)c1 76635956 168826055 /nfs/dbraw/zinc/82/60/55/168826055.db2.gz OEPAEXQLQQSIPP-UHFFFAOYSA-N 0 0 193.315 2.831 10 0 AFAERN Cc1ccc(NCC(F)(F)F)cc1 20055920 168826387 /nfs/dbraw/zinc/82/63/87/168826387.db2.gz SYCRPKNQSUNCFC-UHFFFAOYSA-N 0 0 189.180 2.969 10 0 AFAERN Cc1ccc(NCC(F)F)c(C)c1 37755667 168826499 /nfs/dbraw/zinc/82/64/99/168826499.db2.gz URHQNZRXORFJEF-UHFFFAOYSA-N 0 0 185.217 2.980 10 0 AFAERN Cc1ccc(NCc2ccc[nH]2)cc1 51788014 168826958 /nfs/dbraw/zinc/82/69/58/168826958.db2.gz UDUITMQXGUZYLP-UHFFFAOYSA-N 0 0 186.258 2.935 10 0 AFAERN Cc1ccc(N[C@@H](C)C2CC2)cc1N 61701234 168827116 /nfs/dbraw/zinc/82/71/16/168827116.db2.gz GJZIEMCSBBCFJR-VIFPVBQESA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(N[C@@H]2CC2(C)C)c(N)c1 45117806 168827282 /nfs/dbraw/zinc/82/72/82/168827282.db2.gz MPKYDIGOHPFIBQ-LLVKDONJSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(O)c(-c2cc(C)on2)c1 75579026 168827316 /nfs/dbraw/zinc/82/73/16/168827316.db2.gz QIYREWBJOAFDSF-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN Cc1ccc(N[C@H]2CC2(C)C)cc1N 61701895 168827560 /nfs/dbraw/zinc/82/75/60/168827560.db2.gz WBWJULMIFUDGJF-NSHDSACASA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(Nc2cccc(N)c2)nc1 19519272 168827679 /nfs/dbraw/zinc/82/76/79/168827679.db2.gz NSQIWLNQJIIUIO-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cc1ccc(N[C@@H]2CC2(C)C)cc1N 61701894 168827873 /nfs/dbraw/zinc/82/78/73/168827873.db2.gz WBWJULMIFUDGJF-LLVKDONJSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(N[C@@H](C)CCCO)cc1 58826855 168828028 /nfs/dbraw/zinc/82/80/28/168828028.db2.gz ITUFJFXRAFVVRY-NSHDSACASA-N 0 0 193.290 2.568 10 0 AFAERN Cc1ccc(O)cc1C(C)(C)C 39402427 168828784 /nfs/dbraw/zinc/82/87/84/168828784.db2.gz OBYOFMNDYOOIPV-UHFFFAOYSA-N 0 0 164.248 2.998 10 0 AFAERN Cc1ccc(OC(F)F)c(F)c1 47203286 168828858 /nfs/dbraw/zinc/82/88/58/168828858.db2.gz WTJZFCJFSAZJPB-UHFFFAOYSA-N 0 0 176.137 2.736 10 0 AFAERN Cc1ccc(OC2CC2)cc1F 95724471 168829273 /nfs/dbraw/zinc/82/92/73/168829273.db2.gz VQCOVZBLSQPZPQ-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN Cc1ccc(OC2CC2)cc1 41391774 168829768 /nfs/dbraw/zinc/82/97/68/168829768.db2.gz IJCCLCHGYZVZIZ-UHFFFAOYSA-N 0 0 148.205 2.536 10 0 AFAERN Cc1ccc(O)c2c(C)coc12 39136411 168829833 /nfs/dbraw/zinc/82/98/33/168829833.db2.gz MEBHCUZEQHQILH-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1ccc(OC(C)(C)C)c(O)c1 95710973 168830098 /nfs/dbraw/zinc/83/00/98/168830098.db2.gz GBRUAMWYSUVIQB-UHFFFAOYSA-N 0 0 180.247 2.878 10 0 AFAERN Cc1ccc(OC2CCCC2)cc1N 32008464 168830189 /nfs/dbraw/zinc/83/01/89/168830189.db2.gz AFEUTFTXQIXBGL-UHFFFAOYSA-N 0 0 191.274 2.899 10 0 AFAERN Cc1ccc(OC2CC2)cc1C 95724074 168830234 /nfs/dbraw/zinc/83/02/34/168830234.db2.gz OHNYQTGZDZOPJX-UHFFFAOYSA-N 0 0 162.232 2.845 10 0 AFAERN Cc1ccc(OC2(Cl)N=N2)cc1 90483405 168830383 /nfs/dbraw/zinc/83/03/83/168830383.db2.gz ZPPJRYHPJGDUEL-UHFFFAOYSA-N 0 0 182.610 2.690 10 0 AFAERN Cc1ccc(OCCCCCO)cc1 51020330 168831705 /nfs/dbraw/zinc/83/17/05/168831705.db2.gz XOCNJXQLOOCICI-UHFFFAOYSA-N 0 0 194.274 2.536 10 0 AFAERN Cc1ccc(SC(F)F)c(N)c1 37193104 168833919 /nfs/dbraw/zinc/83/39/19/168833919.db2.gz XVZJEKLOQMPTIS-UHFFFAOYSA-N 0 0 189.230 2.892 10 0 AFAERN Cc1ccc([C@@H](N)C(F)F)cc1C 20587076 168834676 /nfs/dbraw/zinc/83/46/76/168834676.db2.gz BFGDOVOYIQXBLD-SECBINFHSA-N 0 0 185.217 2.568 10 0 AFAERN Cc1ccc([C@@H](CO)C(C)C)cc1 41200488 168835307 /nfs/dbraw/zinc/83/53/07/168835307.db2.gz OSGSAOMHOXBNNX-LBPRGKRZSA-N 0 0 178.275 2.727 10 0 AFAERN Cc1ccc([C@@H](N)c2ccsc2)o1 43609890 168836551 /nfs/dbraw/zinc/83/65/51/168836551.db2.gz YDJIBSMTANGNPB-JTQLQIEISA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccc([C@@H](O)C2CCC2)s1 40242263 168836765 /nfs/dbraw/zinc/83/67/65/168836765.db2.gz FBKHBSTZZOWKER-JTQLQIEISA-N 0 0 182.288 2.890 10 0 AFAERN Cc1ccc([C@@H](O)C2=CCCC2)o1 50329201 168836860 /nfs/dbraw/zinc/83/68/60/168836860.db2.gz GFKGBCXEHGZWKA-NSHDSACASA-N 0 0 178.231 2.732 10 0 AFAERN Cc1ccc([C@@H](O)c2ccoc2)cc1 40244416 168837075 /nfs/dbraw/zinc/83/70/75/168837075.db2.gz FBANPXAMDZZFID-GFCCVEGCSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1ccc([C@@H]2CCC[C@H](O)O2)cc1 90714918 168837269 /nfs/dbraw/zinc/83/72/69/168837269.db2.gz XZVOEABNHPGYLM-NWDGAFQWSA-N 0 0 192.258 2.555 10 0 AFAERN Cc1ccc([C@@H](O)C(C)C)s1 40451647 168837437 /nfs/dbraw/zinc/83/74/37/168837437.db2.gz BMMNGMVTLNCJDE-VIFPVBQESA-N 0 0 170.277 2.746 10 0 AFAERN Cc1ccc([C@@H]2CCC[C@@H](O)O2)cc1 90714925 168837454 /nfs/dbraw/zinc/83/74/54/168837454.db2.gz XZVOEABNHPGYLM-RYUDHWBXSA-N 0 0 192.258 2.555 10 0 AFAERN Cc1ccc([C@@H]2CCC(=O)O2)c(C)c1 49806600 168837763 /nfs/dbraw/zinc/83/77/63/168837763.db2.gz NKMWCQKHMQNIBQ-NSHDSACASA-N 0 0 190.242 2.682 10 0 AFAERN Cc1ccc([C@H](O)[C@@H]2C[C@@H]2C)s1 40242252 168841692 /nfs/dbraw/zinc/84/16/92/168841692.db2.gz YAOPVJRYVNWGBU-SKWCMTHISA-N 0 0 182.288 2.746 10 0 AFAERN Cc1ccc([C@H](O)C2CC2)c(C)c1 33607377 168841873 /nfs/dbraw/zinc/84/18/73/168841873.db2.gz OWFYESAAHVXGKO-GFCCVEGCSA-N 0 0 176.259 2.747 10 0 AFAERN Cc1ccc([C@H](O)[C@H]2C[C@@H]2C)c(C)c1 40245894 168842061 /nfs/dbraw/zinc/84/20/61/168842061.db2.gz ZGRHAMXHVLCLCB-DRZSPHRISA-N 0 0 190.286 2.993 10 0 AFAERN Cc1ccc([C@H](O)C(C)C)cc1F 37465467 168842192 /nfs/dbraw/zinc/84/21/92/168842192.db2.gz LYPUTDFCISDEEZ-LLVKDONJSA-N 0 0 182.238 2.824 10 0 AFAERN Cc1ccc([C@H](O)C2=CCCC2)o1 50329200 168842327 /nfs/dbraw/zinc/84/23/27/168842327.db2.gz GFKGBCXEHGZWKA-LLVKDONJSA-N 0 0 178.231 2.732 10 0 AFAERN Cc1ccc([C@H](O)[C@H]2C[C@@H]2C)cc1C 40241804 168842767 /nfs/dbraw/zinc/84/27/67/168842767.db2.gz XRXMIPQGXURBSO-DRZSPHRISA-N 0 0 190.286 2.993 10 0 AFAERN Cc1ccc([C@H](O)CC2CC2)s1 49731659 168842906 /nfs/dbraw/zinc/84/29/06/168842906.db2.gz LYPHWCOJNFJENE-SECBINFHSA-N 0 0 182.288 2.890 10 0 AFAERN Cc1ccc([C@H](O)[C@H]2C=CCC2)cc1 3851154 168842935 /nfs/dbraw/zinc/84/29/35/168842935.db2.gz JBYCNQFBVXPZHX-WCQYABFASA-N 0 0 188.270 2.995 10 0 AFAERN Cc1ccc([C@H]2CCC[C@H]2O)cc1C 15440818 168843489 /nfs/dbraw/zinc/84/34/89/168843489.db2.gz ZDCWRKGLSINLMZ-CHWSQXEVSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1ccc([C@H]2CCC[C@@H]2O)cc1F 15440852 168843509 /nfs/dbraw/zinc/84/35/09/168843509.db2.gz AWXPGMQDSFFUOI-PWSUYJOCSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccc([C@H]2CCC[C@@H](O)O2)cc1 90714926 168843837 /nfs/dbraw/zinc/84/38/37/168843837.db2.gz XZVOEABNHPGYLM-NEPJUHHUSA-N 0 0 192.258 2.555 10 0 AFAERN Cc1ccc([C@H]2CCC[C@@H]2O)cc1C 15440814 168844115 /nfs/dbraw/zinc/84/41/15/168844115.db2.gz ZDCWRKGLSINLMZ-OLZOCXBDSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1ccc([C@]2(C)CCC(=O)O2)cc1 38266466 168844249 /nfs/dbraw/zinc/84/42/49/168844249.db2.gz SXSKLDSQMFZPAR-LBPRGKRZSA-N 0 0 190.242 2.547 10 0 AFAERN Cc1ccc([C@H]2OCCS2)cc1 3618950 168844419 /nfs/dbraw/zinc/84/44/19/168844419.db2.gz ILFTUQCCIXBMTD-JTQLQIEISA-N 0 0 180.272 2.757 10 0 AFAERN Cc1ccc2c(O)ccc(C)c2n1 299889113 168846282 /nfs/dbraw/zinc/84/62/82/168846282.db2.gz DOPRDUJXZYKDHL-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN Cc1ccc2c(C=O)cn(C)c2c1C 82588134 168846345 /nfs/dbraw/zinc/84/63/45/168846345.db2.gz YPDSBRJRBQXAJC-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN Cc1ccc2c(C)c(C=O)[nH]c2c1 82587718 168846635 /nfs/dbraw/zinc/84/66/35/168846635.db2.gz UGLDALCBSLUHTQ-UHFFFAOYSA-N 0 0 173.215 2.597 10 0 AFAERN Cc1ccc2c(CO)c(C)oc2c1 238520263 168846723 /nfs/dbraw/zinc/84/67/23/168846723.db2.gz FGCDUOGYUYDQNS-UHFFFAOYSA-N 0 0 176.215 2.542 10 0 AFAERN Cc1ccc2c(C=O)coc2c1 39060576 168846844 /nfs/dbraw/zinc/84/68/44/168846844.db2.gz GMOIKWDYICUUKX-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN Cc1ccc2c(C=O)c(C)[nH]c2c1C 82588135 168847298 /nfs/dbraw/zinc/84/72/98/168847298.db2.gz OAOKUUQXZBRAIY-UHFFFAOYSA-N 0 0 187.242 2.906 10 0 AFAERN Cc1ccc2c(c1)N=C(Cl)CO2 75422728 168848665 /nfs/dbraw/zinc/84/86/65/168848665.db2.gz NNLHWXXJWSPHLM-UHFFFAOYSA-N 0 0 181.622 2.656 10 0 AFAERN Cc1ccc2c(c1)C(=O)CC2(C)C 32198397 168848865 /nfs/dbraw/zinc/84/88/65/168848865.db2.gz BBBFALQBOTUYTC-UHFFFAOYSA-N 0 0 174.243 2.859 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@@H](C)CC2 34172390 168848913 /nfs/dbraw/zinc/84/89/13/168848913.db2.gz YVTLSNHLTSTAHQ-VIFPVBQESA-N 0 0 174.243 2.760 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@H](C)CS2 35757045 168848915 /nfs/dbraw/zinc/84/89/15/168848915.db2.gz CFUIZFNSIWSNGM-MRVPVSSYSA-N 0 0 192.283 2.920 10 0 AFAERN Cc1ccc2c(c1)O[C@@H](C(C)C)CN2 20867074 168849245 /nfs/dbraw/zinc/84/92/45/168849245.db2.gz HWSSQYQKHCNFIY-GFCCVEGCSA-N 0 0 191.274 2.824 10 0 AFAERN Cc1ccc2c(c1)NC[C@H](C(C)C)O2 58235196 168849350 /nfs/dbraw/zinc/84/93/50/168849350.db2.gz STUITYYSVUYLGF-GFCCVEGCSA-N 0 0 191.274 2.824 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C)CCN2 48508557 168849729 /nfs/dbraw/zinc/84/97/29/168849729.db2.gz FMPAOABQQSXMHN-VIFPVBQESA-N 0 0 161.248 2.914 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)C=C2 71479778 168850437 /nfs/dbraw/zinc/85/04/37/168850437.db2.gz DWKNLYXJSCABGI-VIFPVBQESA-N 0 0 159.232 2.822 10 0 AFAERN Cc1ccc2c(c1)NCCCS2 38873275 168850546 /nfs/dbraw/zinc/85/05/46/168850546.db2.gz ULQQCOBNYQPTRG-UHFFFAOYSA-N 0 0 179.288 2.903 10 0 AFAERN Cc1ccc2c(c1)OC(C)(C)CN2 19769963 168850650 /nfs/dbraw/zinc/85/06/50/168850650.db2.gz QAPMOXSFNVWFQM-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN Cc1ccc2c(c1)[C@H](CCO)C[C@@H]2C 41205102 168850904 /nfs/dbraw/zinc/85/09/04/168850904.db2.gz SONOQLWZHYUMHZ-WDEREUQCSA-N 0 0 190.286 2.968 10 0 AFAERN Cc1ccc2c(c1C)OCCC[C@H]2O 62567633 168850978 /nfs/dbraw/zinc/85/09/78/168850978.db2.gz VKGBAIYZPFXVDG-LLVKDONJSA-N 0 0 192.258 2.509 10 0 AFAERN Cc1ccc2c(c1C)C(=O)CCC2 38324967 168851036 /nfs/dbraw/zinc/85/10/36/168851036.db2.gz VXYFHKNQSKGQNS-UHFFFAOYSA-N 0 0 174.243 2.822 10 0 AFAERN Cc1ccc2c(c1)[C@H](O)CCCC2 19727033 168851201 /nfs/dbraw/zinc/85/12/01/168851201.db2.gz PKSJDIXWFOGRCS-GFCCVEGCSA-N 0 0 176.259 2.755 10 0 AFAERN Cc1ccc2c(c1C)NC[C@@H](C)C2 11633215 168851533 /nfs/dbraw/zinc/85/15/33/168851533.db2.gz QYIRYIFBMUCUAK-QMMMGPOBSA-N 0 0 175.275 2.908 10 0 AFAERN Cc1ccc2c(c1)[C@H](C)CCN2 48508554 168851648 /nfs/dbraw/zinc/85/16/48/168851648.db2.gz FMPAOABQQSXMHN-SECBINFHSA-N 0 0 161.248 2.914 10 0 AFAERN Cc1ccc2c(c1C)NCCCC2=O 82390853 168851839 /nfs/dbraw/zinc/85/18/39/168851839.db2.gz IOGFCBGPNBTZHY-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN Cc1ccc2c(c1C)OCCC[C@@H]2O 62567631 168851913 /nfs/dbraw/zinc/85/19/13/168851913.db2.gz VKGBAIYZPFXVDG-NSHDSACASA-N 0 0 192.258 2.509 10 0 AFAERN Cc1ccc2c(c1)cc(C)n2C 34224748 168851945 /nfs/dbraw/zinc/85/19/45/168851945.db2.gz QEOSOLXDPRSDKG-UHFFFAOYSA-N 0 0 159.232 2.795 10 0 AFAERN Cc1ccc2c(c1)c(C)cn2C 82587563 168852010 /nfs/dbraw/zinc/85/20/10/168852010.db2.gz QIHSMGDUQGIEMP-UHFFFAOYSA-N 0 0 159.232 2.795 10 0 AFAERN Cc1ccc2cc([C@@H](C)O)ccc2n1 82778369 168852832 /nfs/dbraw/zinc/85/28/32/168852832.db2.gz NHAWMYZGLOGQHG-SECBINFHSA-N 0 0 187.242 2.597 10 0 AFAERN Cc1ccc2c(ccn2C)c1F 299890352 168854048 /nfs/dbraw/zinc/85/40/48/168854048.db2.gz YCNNNVQAHPPEJP-UHFFFAOYSA-N 0 0 163.195 2.626 10 0 AFAERN Cc1ccc2nc(N(C)C)sc2c1 45237298 168854551 /nfs/dbraw/zinc/85/45/51/168854551.db2.gz OBOYCYRGYZZPBG-UHFFFAOYSA-N 0 0 192.287 2.671 10 0 AFAERN Cc1ccc2ccc(C)c(N)c2c1N 75577347 168855028 /nfs/dbraw/zinc/85/50/28/168855028.db2.gz FHNPLMPTSVSCCU-UHFFFAOYSA-N 0 0 186.258 2.621 10 0 AFAERN Cc1ccc2ccsc2n1 32190004 168855032 /nfs/dbraw/zinc/85/50/32/168855032.db2.gz AOQNBQVLAHPFGC-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN Cc1ccc2nc(Cl)n(C)c2c1 95922510 168855162 /nfs/dbraw/zinc/85/51/62/168855162.db2.gz XLAMFDNKTAPSGB-UHFFFAOYSA-N 0 0 180.638 2.535 10 0 AFAERN Cc1ccc2ccc(F)cc2c1O 71489877 168855367 /nfs/dbraw/zinc/85/53/67/168855367.db2.gz JVBYNJGORFDTKA-UHFFFAOYSA-N 0 0 176.190 2.993 10 0 AFAERN Cc1ccc2nc([C@@H](C)O)sc2c1 45237608 168856468 /nfs/dbraw/zinc/85/64/68/168856468.db2.gz RGYIOPAVGOLSGU-SSDOTTSWSA-N 0 0 193.271 2.658 10 0 AFAERN Cc1ccc2oc(=S)[nH]c(=O)c2c1 3615418 168856710 /nfs/dbraw/zinc/85/67/10/168856710.db2.gz KTPCWQGTXJDOJV-UHFFFAOYSA-N 0 0 193.227 2.571 10 0 AFAERN Cc1ccc2nc(NN=O)sc2c1 45237626 168856991 /nfs/dbraw/zinc/85/69/91/168856991.db2.gz RFSAJSYTSVJPJJ-UHFFFAOYSA-N 0 0 193.231 2.698 10 0 AFAERN Cc1ccc2oc(C)c(CO)c2c1 6789006 168857926 /nfs/dbraw/zinc/85/79/26/168857926.db2.gz COYIONIBVMDAGM-UHFFFAOYSA-N 0 0 176.215 2.542 10 0 AFAERN Cc1cccc(-c2cccc(C=O)n2)c1 38846159 168858542 /nfs/dbraw/zinc/85/85/42/168858542.db2.gz DGAKVSSYNSPOJA-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1ccc2sc(Cl)nc2n1 89229299 168858663 /nfs/dbraw/zinc/85/86/63/168858663.db2.gz IQXBUHYPDWIIEE-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN Cc1cccc(-c2ccc(C=O)n2C)c1 40169458 168858884 /nfs/dbraw/zinc/85/88/84/168858884.db2.gz QTKVZTSHXKWVRF-UHFFFAOYSA-N 0 0 199.253 2.813 10 0 AFAERN Cc1cccc(-c2ncco2)c1 39215766 168858893 /nfs/dbraw/zinc/85/88/93/168858893.db2.gz GOXBXKHYZYAKAK-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1cccc(-c2ccc(C=O)cn2)c1 2527556 168859154 /nfs/dbraw/zinc/85/91/54/168859154.db2.gz DMSABNWBJZHEIE-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1ccc2scc(N)c2c1 126055316 168859224 /nfs/dbraw/zinc/85/92/24/168859224.db2.gz CBDDOINMIGALFY-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN Cc1cccc(-c2ncsc2N)c1 50307997 168859532 /nfs/dbraw/zinc/85/95/32/168859532.db2.gz YCAMETLQYNNZST-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cccc(-c2cnoc2)c1 39113041 168859937 /nfs/dbraw/zinc/85/99/37/168859937.db2.gz MCNUOZAWQVOBEE-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1cccc(-c2cccc(=O)[nH]2)c1C 65337705 168859988 /nfs/dbraw/zinc/85/99/88/168859988.db2.gz KEPOVOSNIGEKKX-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1cccc(C(=O)C2CC2)c1F 75902642 168860272 /nfs/dbraw/zinc/86/02/72/168860272.db2.gz FXUOYUROQTWSFG-UHFFFAOYSA-N 0 0 178.206 2.727 10 0 AFAERN Cc1cccc(C=Cc2cc[nH]n2)c1 72416867 168860287 /nfs/dbraw/zinc/86/02/87/168860287.db2.gz CICUOKHLQHDBAP-AATRIKPKSA-N 0 0 184.242 2.889 10 0 AFAERN Cc1cccc(C(=O)CC(C)C)n1 82451258 168860338 /nfs/dbraw/zinc/86/03/38/168860338.db2.gz KVHFLLUPZMLJTN-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1cccc(-c2scnc2N)c1 82530359 168861027 /nfs/dbraw/zinc/86/10/27/168861027.db2.gz CZQISRSBZKMMCU-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cccc(-c2onc(C)c2N)c1 77274080 168861394 /nfs/dbraw/zinc/86/13/94/168861394.db2.gz NOUQEZPCKZRWEI-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cccc(C(F)F)c1O 39060192 168861910 /nfs/dbraw/zinc/86/19/10/168861910.db2.gz BHRNBXCGDYCQFX-UHFFFAOYSA-N 0 0 158.147 2.638 10 0 AFAERN Cc1cccc(C(=O)c2ccco2)c1 43606578 168862656 /nfs/dbraw/zinc/86/26/56/168862656.db2.gz AONPHTPVRLCGCR-UHFFFAOYSA-N 0 0 186.210 2.819 10 0 AFAERN Cc1cccc(C)c1NC1CC1 82710781 168862782 /nfs/dbraw/zinc/86/27/82/168862782.db2.gz OPBZYBDXRMGUIG-UHFFFAOYSA-N 0 0 161.248 2.878 10 0 AFAERN Cc1cccc(C)c1N1CCCC1 6071691 168862876 /nfs/dbraw/zinc/86/28/76/168862876.db2.gz ARTKOFDZBXQJOD-UHFFFAOYSA-N 0 0 175.275 2.904 10 0 AFAERN Cc1cccc(C)c1Cc1ncc[nH]1 34593010 168862884 /nfs/dbraw/zinc/86/28/84/168862884.db2.gz JCVUVPHGAUSZDP-UHFFFAOYSA-N 0 0 186.258 2.617 10 0 AFAERN Cc1cccc(C)c1[C@@H](O)C(C)C 75853429 168863724 /nfs/dbraw/zinc/86/37/24/168863724.db2.gz ANUHFPUAAANCSJ-LBPRGKRZSA-N 0 0 178.275 2.993 10 0 AFAERN Cc1cccc(C/C=C/Cl)c1O 75576158 168864755 /nfs/dbraw/zinc/86/47/55/168864755.db2.gz IAWNUFLLDZSDEE-XVNBXDOJSA-N 0 0 182.650 2.996 10 0 AFAERN Cc1cccc(CC[C@H](O)C(C)C)c1 43657987 168866138 /nfs/dbraw/zinc/86/61/38/168866138.db2.gz MZWKCZPHPONNTG-ZDUSSCGKSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1cccc(C[C@H]2CCC[C@H]2O)c1 43656117 168867032 /nfs/dbraw/zinc/86/70/32/168867032.db2.gz IPACJQCSXBZOFP-CHWSQXEVSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1cccc(C[C@](C)(O)C2CC2)c1 37463690 168867622 /nfs/dbraw/zinc/86/76/22/168867622.db2.gz WLHPTIYKIRRPSF-ZDUSSCGKSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1cccc(F)c1OC1CC1 95726134 168867825 /nfs/dbraw/zinc/86/78/25/168867825.db2.gz KQNRVGWRXCVDPL-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN Cc1cccc(Cc2ccccc2)n1 5420154 168868095 /nfs/dbraw/zinc/86/80/95/168868095.db2.gz BONXKYMGTPBECR-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN Cc1cccc(Cl)c1C1OCCO1 44231216 168868214 /nfs/dbraw/zinc/86/82/14/168868214.db2.gz UCHFBALJERSYDD-UHFFFAOYSA-N 0 0 198.649 2.694 10 0 AFAERN Cc1cccc(C[C@H]2CCC[C@@H]2O)c1 43656113 168868436 /nfs/dbraw/zinc/86/84/36/168868436.db2.gz IPACJQCSXBZOFP-OLZOCXBDSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1cccc(O)c1NCC(C)C 83340422 168870835 /nfs/dbraw/zinc/87/08/35/168870835.db2.gz IANTXCGNXJXXDI-UHFFFAOYSA-N 0 0 179.263 2.769 10 0 AFAERN Cc1cccc([C@@H]2CC[C@H](O)C2)c1 58518978 168872644 /nfs/dbraw/zinc/87/26/44/168872644.db2.gz UIBOAOGUWMSHLY-NEPJUHHUSA-N 0 0 176.259 2.623 10 0 AFAERN Cc1cccc([C@@H](CO)C(C)C)c1 36156000 168872810 /nfs/dbraw/zinc/87/28/10/168872810.db2.gz WJIPEOKNMGWGMV-LBPRGKRZSA-N 0 0 178.275 2.727 10 0 AFAERN Cc1cccc([C@@H]2CCC[C@@H]2O)c1 15440896 168872827 /nfs/dbraw/zinc/87/28/27/168872827.db2.gz YMIRSVURTBQGSK-RYUDHWBXSA-N 0 0 176.259 2.623 10 0 AFAERN Cc1cccc([C@H](O)C(C)C)c1 37465363 168874166 /nfs/dbraw/zinc/87/41/66/168874166.db2.gz UYYHKLGBTMJVLI-LLVKDONJSA-N 0 0 164.248 2.684 10 0 AFAERN Cc1cccc([C@H]2CCCCO2)c1O 34213892 168874914 /nfs/dbraw/zinc/87/49/14/168874914.db2.gz ZVVMRLFETZELTQ-LLVKDONJSA-N 0 0 192.258 2.942 10 0 AFAERN Cc1cccc2c(CCO)cccc12 1601956 168876921 /nfs/dbraw/zinc/87/69/21/168876921.db2.gz HDDPVTVOWDHDJZ-UHFFFAOYSA-N 0 0 186.254 2.683 10 0 AFAERN Cc1cccc2[nH]c(-c3cc[nH]n3)cc12 90398562 168876942 /nfs/dbraw/zinc/87/69/42/168876942.db2.gz PBEKNLVOPCCYOM-UHFFFAOYSA-N 0 0 197.241 2.866 10 0 AFAERN Cc1cccc2c1NC[C@@H]2C 19948070 168877692 /nfs/dbraw/zinc/87/76/92/168877692.db2.gz ONXRUPVHTLWDQO-QMMMGPOBSA-N 0 0 147.221 2.524 10 0 AFAERN Cc1cccc2c1C[C@@H](C)C2 2003562 168878316 /nfs/dbraw/zinc/87/83/16/168878316.db2.gz GBDOKROGRPXCLR-QMMMGPOBSA-N 0 0 146.233 2.730 10 0 AFAERN Cc1cccc2c(NC3CC3)ncnc12 309249094 168878956 /nfs/dbraw/zinc/87/89/56/168878956.db2.gz ZURFRSVSJJHTRG-UHFFFAOYSA-N 0 0 199.257 2.513 10 0 AFAERN Cc1cccc2c1N[C@H](C)C=C2 71479769 168879464 /nfs/dbraw/zinc/87/94/64/168879464.db2.gz DYLKAAWFSGVMFD-SECBINFHSA-N 0 0 159.232 2.822 10 0 AFAERN Cc1cccc2c1O[C@@H](C)CCN2 62519889 168879852 /nfs/dbraw/zinc/87/98/52/168879852.db2.gz NDBOFHGKJHYQHF-VIFPVBQESA-N 0 0 177.247 2.578 10 0 AFAERN Cc1cccc2c1[nH]c(=S)n2C 95922552 168879973 /nfs/dbraw/zinc/87/99/73/168879973.db2.gz GTMRBPBBVZTIAC-UHFFFAOYSA-N 0 0 178.260 2.544 10 0 AFAERN Cc1cccc2c3c([nH]c12)CCCC3=O 36467008 168880141 /nfs/dbraw/zinc/88/01/41/168880141.db2.gz QFTGKLHYEWRXKN-UHFFFAOYSA-N 0 0 199.253 2.995 10 0 AFAERN Cc1cccc2c1SC[C@@H](C)C2=O 37665865 168880634 /nfs/dbraw/zinc/88/06/34/168880634.db2.gz HPDOBEYMIBWHBZ-MRVPVSSYSA-N 0 0 192.283 2.920 10 0 AFAERN Cc1ccccc1-c1ccc(CO)o1 37715702 168881310 /nfs/dbraw/zinc/88/13/10/168881310.db2.gz MIERZPANAJTZDK-UHFFFAOYSA-N 0 0 188.226 2.747 10 0 AFAERN Cc1cccc2oc(C=O)cc12 39136305 168881380 /nfs/dbraw/zinc/88/13/80/168881380.db2.gz UCHATCZCPYCCAT-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN Cc1cccc2sc(F)nc12 45237887 168881414 /nfs/dbraw/zinc/88/14/14/168881414.db2.gz TUSDHWOKGJHTKS-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN Cc1ccccc1-c1ccc(O)cn1 65355581 168881963 /nfs/dbraw/zinc/88/19/63/168881963.db2.gz AOEXBAOXFVGATH-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccccc1-c1ncc(N)s1 44119776 168882708 /nfs/dbraw/zinc/88/27/08/168882708.db2.gz QQVFGTRQSXULPQ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccccc1-c1ocnc1C 58518548 168882855 /nfs/dbraw/zinc/88/28/55/168882855.db2.gz JKFYTKMYZGJQQO-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1ccccc1-c1ncco1 39215765 168882879 /nfs/dbraw/zinc/88/28/79/168882879.db2.gz XATYFXXHWVUGRI-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1ccccc1-c1ncccc1O 65337611 168883096 /nfs/dbraw/zinc/88/30/96/168883096.db2.gz CWNRQAGSTOVAEB-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccccc1-c1ncsc1N 50307991 168883141 /nfs/dbraw/zinc/88/31/41/168883141.db2.gz OMUCLMFHIFIFPM-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccccc1-c1cnoc1 94568724 168883280 /nfs/dbraw/zinc/88/32/80/168883280.db2.gz SXPKJWYHFSIMPA-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1cccnc1-c1ccc(C=O)cc1 90669163 168883622 /nfs/dbraw/zinc/88/36/22/168883622.db2.gz ASHNBGQNIQIZTC-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1cccn([C@@H]2CC[C@@H](C)C2)c1=O 334938656 168883692 /nfs/dbraw/zinc/88/36/92/168883692.db2.gz DBMJZFDYWIUOJA-MWLCHTKSSA-N 0 0 191.274 2.518 10 0 AFAERN Cc1cccnc1C(=O)C1CCCC1 43616268 168883922 /nfs/dbraw/zinc/88/39/22/168883922.db2.gz KLCKHAOICSZFDA-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN Cc1ccccc1[C@H]1CC[C@H](O)C1 58518970 168885189 /nfs/dbraw/zinc/88/51/89/168885189.db2.gz NTSJXBUJPKSHSH-QWRGUYRKSA-N 0 0 176.259 2.623 10 0 AFAERN Cc1cccnc1NCC1CCC1 51040897 168885663 /nfs/dbraw/zinc/88/56/63/168885663.db2.gz DCXVONZBWPEYNW-UHFFFAOYSA-N 0 0 176.263 2.602 10 0 AFAERN Cc1cccnc1Cc1ccccc1 5161383 168886587 /nfs/dbraw/zinc/88/65/87/168886587.db2.gz HYSALCMXIKJFNX-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN Cc1ccn([C@@H]2CC[C@H](C)C2)c(=O)c1 334940020 168887527 /nfs/dbraw/zinc/88/75/27/168887527.db2.gz JVGQPVXIDLNUQG-GXSJLCMTSA-N 0 0 191.274 2.518 10 0 AFAERN Cc1ccn([C@@H]2CC[C@@H](C)C2)c(=O)c1 334940022 168887928 /nfs/dbraw/zinc/88/79/28/168887928.db2.gz JVGQPVXIDLNUQG-MWLCHTKSSA-N 0 0 191.274 2.518 10 0 AFAERN Cc1ccnc(Nc2ccccc2)c1N 36251185 168890500 /nfs/dbraw/zinc/89/05/00/168890500.db2.gz ULHSWMULQOKSFH-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cc1ccnc(OCc2ccccc2)c1 34252873 168890613 /nfs/dbraw/zinc/89/06/13/168890613.db2.gz YPPRQODDUQIRCP-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN Cc1ccnc2c(N)c(Cl)ccc12 40538031 168891191 /nfs/dbraw/zinc/89/11/91/168891191.db2.gz PORCTPQXXURAMW-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Cc1ccoc1C(=O)c1ccccc1 35368787 168893556 /nfs/dbraw/zinc/89/35/56/168893556.db2.gz JPKHCJBIBGEOGO-UHFFFAOYSA-N 0 0 186.210 2.819 10 0 AFAERN Cc1ccoc1C(=O)c1cccs1 35368963 168893897 /nfs/dbraw/zinc/89/38/97/168893897.db2.gz MHNXFKGXUWXJHH-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1ccoc1-c1nc2cccnc2[nH]1 44265187 168894296 /nfs/dbraw/zinc/89/42/96/168894296.db2.gz NINLLPFILJAEEV-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN Cc1ccoc1[C@@H](O)c1cccs1 40247668 168894680 /nfs/dbraw/zinc/89/46/80/168894680.db2.gz SQNOYGXFQPSDGL-VIFPVBQESA-N 0 0 194.255 2.731 10 0 AFAERN Cc1ccsc1-c1ccno1 39113195 168894838 /nfs/dbraw/zinc/89/48/38/168894838.db2.gz DLXWMRQUTUSYHT-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN Cc1ccsc1C(=O)[C@@H]1C[C@@H]1C 42728553 168894897 /nfs/dbraw/zinc/89/48/97/168894897.db2.gz FATXYAFKILISEJ-JGVFFNPUSA-N 0 0 180.272 2.895 10 0 AFAERN Cc1ccsc1C(=O)C1CC1 42728528 168895211 /nfs/dbraw/zinc/89/52/11/168895211.db2.gz PKNRPLRSRYEGDK-UHFFFAOYSA-N 0 0 166.245 2.649 10 0 AFAERN Cc1ccoc1[C@H](O)CC(C)C 34386043 168895279 /nfs/dbraw/zinc/89/52/79/168895279.db2.gz GSYKVOYITISQGK-SECBINFHSA-N 0 0 168.236 2.668 10 0 AFAERN Cc1ccoc1[C@H](O)C1=CCCC1 50329188 168895548 /nfs/dbraw/zinc/89/55/48/168895548.db2.gz PFOKTNWCNIEAQQ-SNVBAGLBSA-N 0 0 178.231 2.732 10 0 AFAERN Cc1ccoc1[C@@H](O)c1ccccc1 40244077 168895608 /nfs/dbraw/zinc/89/56/08/168895608.db2.gz MKOCFIUNCBIDHZ-NSHDSACASA-N 0 0 188.226 2.670 10 0 AFAERN Cc1ccsc1[C@@H](N)C(F)(F)F 42728907 168895637 /nfs/dbraw/zinc/89/56/37/168895637.db2.gz TYQQQZIVVMQVCG-ZCFIWIBFSA-N 0 0 195.209 2.619 10 0 AFAERN Cc1ccoc1NC(=O)OC(C)(C)C 39091229 168895676 /nfs/dbraw/zinc/89/56/76/168895676.db2.gz WWJDMLAMKZUDRA-UHFFFAOYSA-N 0 0 197.234 2.935 10 0 AFAERN Cc1ccsc1[C@H](O)[C@@H]1C[C@@H]1C 42731433 168896497 /nfs/dbraw/zinc/89/64/97/168896497.db2.gz RSUBVWVABOTPOC-DJLDLDEBSA-N 0 0 182.288 2.746 10 0 AFAERN Cc1ccsc1[C@H](O)C1CCC1 42731457 168897159 /nfs/dbraw/zinc/89/71/59/168897159.db2.gz VRRTUCOKAHGQHW-SECBINFHSA-N 0 0 182.288 2.890 10 0 AFAERN Cc1cn(C)c2ccc(F)cc12 82587587 168897993 /nfs/dbraw/zinc/89/79/93/168897993.db2.gz UZPSWERGXYXCIZ-UHFFFAOYSA-N 0 0 163.195 2.626 10 0 AFAERN Cc1ccsc1[C@H](O)[C@H]1C[C@@H]1C 42731438 168898023 /nfs/dbraw/zinc/89/80/23/168898023.db2.gz RSUBVWVABOTPOC-XHNCKOQMSA-N 0 0 182.288 2.746 10 0 AFAERN Cc1ccsc1[C@H](N)C(F)(F)F 42728905 168898156 /nfs/dbraw/zinc/89/81/56/168898156.db2.gz TYQQQZIVVMQVCG-LURJTMIESA-N 0 0 195.209 2.619 10 0 AFAERN Cc1cnc(-c2ccc(N)cc2)s1 54158999 168900095 /nfs/dbraw/zinc/90/00/95/168900095.db2.gz DHRJXUGDIJEBOH-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cnc(-c2cccc(N)c2C)o1 42413497 168900135 /nfs/dbraw/zinc/90/01/35/168900135.db2.gz TZTBJZPBKBEUNC-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cnc(-c2cc(N)ccc2C)o1 42413500 168900169 /nfs/dbraw/zinc/90/01/69/168900169.db2.gz LNOCSBGQCSFDAB-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cnc(-c2ccccc2)nc1C 34222902 168900482 /nfs/dbraw/zinc/90/04/82/168900482.db2.gz IRMKFYLMLNITBW-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN Cc1cnc(-c2ccc(C)c(N)c2)o1 42413493 168900821 /nfs/dbraw/zinc/90/08/21/168900821.db2.gz FVRUMJCQTGQLOP-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cnc(C)c2ccc(O)cc12 75563424 168903305 /nfs/dbraw/zinc/90/33/05/168903305.db2.gz BDGHTKIJUYZXBY-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN Cc1cnc(Cl)nc1NC(C)(C)C 82501436 168904771 /nfs/dbraw/zinc/90/47/71/168904771.db2.gz JJYHALIPOITMQX-UHFFFAOYSA-N 0 0 199.685 2.649 10 0 AFAERN Cc1cnc(Cl)cc1OC1CC1 95724000 168905034 /nfs/dbraw/zinc/90/50/34/168905034.db2.gz DGSFQSXOQLJYMX-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN Cc1cnc(N[C@@H]2CC[C@H]2C)s1 307745091 168906396 /nfs/dbraw/zinc/90/63/96/168906396.db2.gz QPVYJCWHNABPHO-HTRCEHHLSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)s1 335180125 168906482 /nfs/dbraw/zinc/90/64/82/168906482.db2.gz YDAOHVLAJARYRO-AYMMMOKOSA-N 0 0 194.303 2.662 10 0 AFAERN Cc1cnc(N[C@H]2CC[C@@H]2C)s1 307745094 168906914 /nfs/dbraw/zinc/90/69/14/168906914.db2.gz QPVYJCWHNABPHO-XPUUQOCRSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1cnc([C@@H](O)C(C)(C)C)c(C)c1 38325187 168907113 /nfs/dbraw/zinc/90/71/13/168907113.db2.gz ASAUETSFEMISFS-LLVKDONJSA-N 0 0 193.290 2.778 10 0 AFAERN Cc1cncc(Cl)c1OC1CC1 95725357 168910698 /nfs/dbraw/zinc/91/06/98/168910698.db2.gz ANUSINFYPAIFLW-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN Cc1cnn(C2CCCCC2)c1 40928379 168913851 /nfs/dbraw/zinc/91/38/51/168913851.db2.gz KFYKFQCVHRGOIQ-UHFFFAOYSA-N 0 0 164.252 2.697 10 0 AFAERN CC[C@@H](C)c1cn2c(n1)C[C@@H](C)CC2 135889372 343970414 /nfs/dbraw/zinc/97/04/14/343970414.db2.gz VKVBDTQFPFHJQF-VHSXEESVSA-N 0 0 192.306 2.979 10 0 AFAERN Cc1cnn([C@H](C)C2CCCC2)c1N 54081618 168915377 /nfs/dbraw/zinc/91/53/77/168915377.db2.gz OJQXPERPGVYWAF-SECBINFHSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cnn([C@H]2CCCC[C@@H]2C)c1N 26516523 168916154 /nfs/dbraw/zinc/91/61/54/168916154.db2.gz KMNFSBDKMIDZEZ-WPRPVWTQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cnsc1-c1ccccc1O 75580214 168917927 /nfs/dbraw/zinc/91/79/27/168917927.db2.gz OKZWNVOUHRAQJF-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1coc(N)c1-c1cccc(F)c1 106519498 168918087 /nfs/dbraw/zinc/91/80/87/168918087.db2.gz DIAGPKNEJLPQOW-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1coc(SC2CCC2)n1 307406138 168918228 /nfs/dbraw/zinc/91/82/28/168918228.db2.gz DBMBRRIBRUNXTG-UHFFFAOYSA-N 0 0 169.249 2.628 10 0 AFAERN Cc1conc1NCc1ccccc1 307350521 168918647 /nfs/dbraw/zinc/91/86/47/168918647.db2.gz AVCWKZXRFCMZJQ-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1coc2cc(O)cc(C)c12 39136476 168918729 /nfs/dbraw/zinc/91/87/29/168918729.db2.gz YREAWUMQXVHAKY-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1cpn(-c2ccccc2)n1 3957203 168918774 /nfs/dbraw/zinc/91/87/74/168918774.db2.gz CBJJCTJNQKBQGA-UHFFFAOYSA-N 0 0 176.159 2.761 10 0 AFAERN Cc1coc2ccc(Cl)cc2c1=O 84769560 168919064 /nfs/dbraw/zinc/91/90/64/168919064.db2.gz YVHODNUFBQXSFA-UHFFFAOYSA-N 0 0 194.617 2.755 10 0 AFAERN Cc1conc1-c1ccccc1 39113061 168919241 /nfs/dbraw/zinc/91/92/41/168919241.db2.gz QZTYEMDHTJBHFF-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1cocc2c(C=O)ccc1-2 14828986 168919387 /nfs/dbraw/zinc/91/93/87/168919387.db2.gz IHEBZQKYPSMVBZ-UHFFFAOYSA-N 0 0 160.172 2.505 10 0 endogenous,in-man AFAERN Cc1csc(NCC(C)C)n1 21511604 168920821 /nfs/dbraw/zinc/92/08/21/168920821.db2.gz VGNSHSSUMIJYPJ-UHFFFAOYSA-N 0 0 170.281 2.519 10 0 AFAERN Cc1csc(N[C@H](C)C2CC2)n1 35733855 168920915 /nfs/dbraw/zinc/92/09/15/168920915.db2.gz BJOVLZDFUGGLGL-SSDOTTSWSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1csc(N[C@H]2CC2(C)C)n1 45135728 168920980 /nfs/dbraw/zinc/92/09/80/168920980.db2.gz MAIZMCXEASARBK-ZETCQYMHSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1csc(N[C@@H](C)C(C)C)n1 20523563 168921069 /nfs/dbraw/zinc/92/10/69/168921069.db2.gz UEFHAKLBRXGWER-QMMMGPOBSA-N 0 0 184.308 2.908 10 0 AFAERN Cc1csc(Cc2c[nH]cn2)c1C 22760 168921479 /nfs/dbraw/zinc/92/14/79/168921479.db2.gz GIOAZSRHZHRSDO-UHFFFAOYSA-N 0 0 192.287 2.679 10 0 AFAERN Cc1csc(N[C@H](C)C(C)C)n1 20523562 168921664 /nfs/dbraw/zinc/92/16/64/168921664.db2.gz UEFHAKLBRXGWER-MRVPVSSYSA-N 0 0 184.308 2.908 10 0 AFAERN Cc1cscc1NC(=O)C1=CCC1 306356767 168923105 /nfs/dbraw/zinc/92/31/05/168923105.db2.gz DIPAYLCKUKNMIY-UHFFFAOYSA-N 0 0 193.271 2.715 10 0 AFAERN Cc1cscc1Cl 113642913 168923223 /nfs/dbraw/zinc/92/32/23/168923223.db2.gz MWZYJGOCRMVACI-UHFFFAOYSA-N 0 0 132.615 2.710 10 0 AFAERN Cc1n[nH]c(C)c1N[C@H](C)C1(C)CC1 36734319 168926122 /nfs/dbraw/zinc/92/61/22/168926122.db2.gz AWWVGADLSBURMR-SECBINFHSA-N 0 0 193.294 2.627 10 0 AFAERN Cc1n[nH]c(C)c1N[C@@H](C)C1(C)CC1 36734317 168926580 /nfs/dbraw/zinc/92/65/80/168926580.db2.gz AWWVGADLSBURMR-VIFPVBQESA-N 0 0 193.294 2.627 10 0 AFAERN Cc1n[nH]c(C)c1[C@H](C)C(F)(F)F 75839495 168926799 /nfs/dbraw/zinc/92/67/99/168926799.db2.gz WVQQXPYXYGAYFF-BYPYZUCNSA-N 0 0 192.184 2.692 10 0 AFAERN Cc1nc(C)c(-c2ccco2)o1 58517929 168933897 /nfs/dbraw/zinc/93/38/97/168933897.db2.gz HLBUKQSNPPWUOO-UHFFFAOYSA-N 0 0 163.176 2.551 10 0 AFAERN Cc1nc(C)n([C@@H]2CCC(C)(C)C2)n1 335301942 168935266 /nfs/dbraw/zinc/93/52/66/168935266.db2.gz XEKJOHCZEREFKK-SNVBAGLBSA-N 0 0 193.294 2.646 10 0 AFAERN Cc1nc(C2CCCC2)sc1N 50309457 168937076 /nfs/dbraw/zinc/93/70/76/168937076.db2.gz ZUYGFDQQLIRALL-UHFFFAOYSA-N 0 0 182.292 2.691 10 0 AFAERN Cc1nc(Cl)ccc1N1CCCC1 62465658 168943267 /nfs/dbraw/zinc/94/32/67/168943267.db2.gz SBDWQJGUJLYIGK-UHFFFAOYSA-N 0 0 196.681 2.644 10 0 AFAERN Cc1nc(Cl)cc(NC(C)(C)C)n1 52835555 168943352 /nfs/dbraw/zinc/94/33/52/168943352.db2.gz KQYZJMNVROYKLW-UHFFFAOYSA-N 0 0 199.685 2.649 10 0 AFAERN Cc1nc(Cl)c(F)c(C(F)F)n1 257197518 168943777 /nfs/dbraw/zinc/94/37/77/168943777.db2.gz BSHPNDJFUMTQBN-UHFFFAOYSA-N 0 0 196.559 2.515 10 0 AFAERN Cc1nc(Cl)nc2c1CCCCC2 62202876 168943998 /nfs/dbraw/zinc/94/39/98/168943998.db2.gz ZUCSCXBQAAPSEV-UHFFFAOYSA-N 0 0 196.681 2.707 10 0 AFAERN Cc1nc2c(Cl)cccc2n1C 76209732 168952729 /nfs/dbraw/zinc/95/27/29/168952729.db2.gz LPEPTIVQQQBOGT-UHFFFAOYSA-N 0 0 180.638 2.535 10 0 AFAERN Cc1nc2c(C)ccc(C)c2o1 62498485 168952907 /nfs/dbraw/zinc/95/29/07/168952907.db2.gz VIHLPWQTXDZLJM-UHFFFAOYSA-N 0 0 161.204 2.753 10 0 AFAERN Cc1nc2c(Cl)c(C=O)ccc2o1 82386157 168953686 /nfs/dbraw/zinc/95/36/86/168953686.db2.gz DQJQBIXBESWUPN-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN Cc1nc2c(nc1C)[C@H](C)C[C@@H]2C 45814393 168954354 /nfs/dbraw/zinc/95/43/54/168954354.db2.gz MXNQURSDDQRSMD-KNVOCYPGSA-N 0 0 176.263 2.704 10 0 AFAERN Cc1nc2cc(NC3CC3)ccc2o1 76632968 168957023 /nfs/dbraw/zinc/95/70/23/168957023.db2.gz YPYGBURTEBRKKN-UHFFFAOYSA-N 0 0 188.230 2.711 10 0 AFAERN Cc1nc2cc(N)cc(C(C)C)c2o1 62520695 168957410 /nfs/dbraw/zinc/95/74/10/168957410.db2.gz PULNWRFGPJRURV-UHFFFAOYSA-N 0 0 190.246 2.842 10 0 AFAERN Cc1nc2ccc([C@@H](C)O)cc2s1 45237966 168958965 /nfs/dbraw/zinc/95/89/65/168958965.db2.gz ABQZCPVYLOKIAO-ZCFIWIBFSA-N 0 0 193.271 2.658 10 0 AFAERN Cc1ncc(-c2ccc(O)cc2)s1 71789621 168961238 /nfs/dbraw/zinc/96/12/38/168961238.db2.gz HKBBOOJCNYXGPN-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ncc(C)c(-c2ccccc2)n1 143160364 168964734 /nfs/dbraw/zinc/96/47/34/168964734.db2.gz UKHXEPMXFVYZCH-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN Cc1ncc(CCC(C)C)nc1C 32150519 168964775 /nfs/dbraw/zinc/96/47/75/168964775.db2.gz OGUJUYCURMHXHG-UHFFFAOYSA-N 0 0 178.279 2.682 10 0 AFAERN Cc1ncc(OC2CC2)cc1Cl 95721624 168966864 /nfs/dbraw/zinc/96/68/64/168966864.db2.gz RNKIORSCBNQMNX-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN Cc1ncc([C@H](C)C(C)C)nc1C 39114122 168967616 /nfs/dbraw/zinc/96/76/16/168967616.db2.gz XHWQDKPTAKGXNP-MRVPVSSYSA-N 0 0 178.279 2.853 10 0 AFAERN Cc1ncccc1-c1cccc(F)n1 91368503 168971714 /nfs/dbraw/zinc/97/17/14/168971714.db2.gz ZSXGTCPRDVEYHJ-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1ncncc1NCCC(C)(C)C 83342043 168978542 /nfs/dbraw/zinc/97/85/42/168978542.db2.gz JCYMWYSCPQPZAN-UHFFFAOYSA-N 0 0 193.294 2.633 10 0 AFAERN Cc1nn(C)c(C)c1-c1ccccc1 34241705 168981790 /nfs/dbraw/zinc/98/17/90/168981790.db2.gz DUUZIDWEFIXQOS-UHFFFAOYSA-N 0 0 186.258 2.704 10 0 AFAERN Cc1nn(C(C)C)c2ccccc12 34345799 168982614 /nfs/dbraw/zinc/98/26/14/168982614.db2.gz HRWRZTRAMWAQMK-UHFFFAOYSA-N 0 0 174.247 2.926 10 0 AFAERN Cc1nn(C2CCCCC2)c(N)c1C 45628379 168985100 /nfs/dbraw/zinc/98/51/00/168985100.db2.gz UFNLDPRFZVPZQJ-UHFFFAOYSA-N 0 0 193.294 2.587 10 0 AFAERN Cc1nn(C2CCCC2)c(N)c1Cl 20313759 168985378 /nfs/dbraw/zinc/98/53/78/168985378.db2.gz SFOQEDGQOROEQO-UHFFFAOYSA-N 0 0 199.685 2.542 10 0 AFAERN Cc1nn(C)cc1CSC1CCC1 336270069 168986352 /nfs/dbraw/zinc/98/63/52/168986352.db2.gz HAKXVFFYTFYWSM-UHFFFAOYSA-N 0 0 196.319 2.514 10 0 AFAERN Cc1nn(CCCC(C)C)c(C)c1N 77295880 168988186 /nfs/dbraw/zinc/98/81/86/168988186.db2.gz CZEBFGOPIPYJRZ-UHFFFAOYSA-N 0 0 195.310 2.518 10 0 AFAERN Cc1nnsc1-c1ccccc1 39208591 168996919 /nfs/dbraw/zinc/99/69/19/168996919.db2.gz NTNMHLKGQUQMPA-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1noc(-c2cccs2)c1C=O 57488826 168997090 /nfs/dbraw/zinc/99/70/90/168997090.db2.gz VYZLTGPEIVLMDK-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1noc(-c2ccoc2C2CC2)n1 335983528 168997394 /nfs/dbraw/zinc/99/73/94/168997394.db2.gz XRKOLLJUONFGOQ-UHFFFAOYSA-N 0 0 190.202 2.515 10 0 AFAERN Cc1noc(C)c1-c1ccco1 38265600 168997819 /nfs/dbraw/zinc/99/78/19/168997819.db2.gz FFWZWSAKHIWGMX-UHFFFAOYSA-N 0 0 163.176 2.551 10 0 AFAERN Cc1noc(C)c1C1=CCCC1 39113129 168998493 /nfs/dbraw/zinc/99/84/93/168998493.db2.gz NJEHMXBHDIYJTP-UHFFFAOYSA-N 0 0 163.220 2.859 10 0 AFAERN Cc1noc(NCCC(C)C)c1C 83340723 169000817 /nfs/dbraw/zinc/00/08/17/169000817.db2.gz XLGUFWZGLBGFCP-UHFFFAOYSA-N 0 0 182.267 2.749 10 0 AFAERN Cc1noc(N)c1C1CCCCC1 77268419 169001856 /nfs/dbraw/zinc/00/18/56/169001856.db2.gz RTYQRQKCGVJYKT-UHFFFAOYSA-N 0 0 180.251 2.613 10 0 AFAERN Cc1nocc1-c1ccccc1 39113060 169002776 /nfs/dbraw/zinc/00/27/76/169002776.db2.gz HTSGAODELQKLKY-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1noc2c1CNc1ccccc1-2 71485334 169002808 /nfs/dbraw/zinc/00/28/08/169002808.db2.gz LYECJLRSMDJEFK-UHFFFAOYSA-N 0 0 186.214 2.576 10 0 AFAERN Cc1noc2ccc(Cl)cc12 104401691 169003311 /nfs/dbraw/zinc/00/33/11/169003311.db2.gz PHZBRZBTCWCSLE-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN Cc1nocc1CNc1ccccc1 306737023 169004245 /nfs/dbraw/zinc/00/42/45/169004245.db2.gz YJAOZKJOPDRGKF-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1nsc(C)c1Br 108302040 169004866 /nfs/dbraw/zinc/00/48/66/169004866.db2.gz IRCKJQGLZDLMSQ-UHFFFAOYSA-N 0 0 192.081 2.522 10 0 AFAERN Cc1nonc1Sc1ccccc1 26977172 169005438 /nfs/dbraw/zinc/00/54/38/169005438.db2.gz OCYOPSUGAQQYBZ-UHFFFAOYSA-N 0 0 192.243 2.529 10 0 AFAERN Cc1nsc2ccccc12 5765067 169006303 /nfs/dbraw/zinc/00/63/03/169006303.db2.gz DAEGDNYLKMKZRG-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN Cc1nsc2ccc(N)c(Cl)c12 75601028 169006894 /nfs/dbraw/zinc/00/68/94/169006894.db2.gz JQVJOXQUCMEZGB-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN Cc1oc(C2CCCCC2)nc1CO 137732773 169007203 /nfs/dbraw/zinc/00/72/03/169007203.db2.gz ODZMHPHOEPAEOB-UHFFFAOYSA-N 0 0 195.262 2.523 10 0 AFAERN Cc1oc2cc(C=O)ccc2c1C 76600254 169008706 /nfs/dbraw/zinc/00/87/06/169008706.db2.gz VOMMUNUIBBSKDB-UHFFFAOYSA-N 0 0 174.199 2.862 10 0 AFAERN Cc1occ2ccccc12 26053036 169008840 /nfs/dbraw/zinc/00/88/40/169008840.db2.gz CQBUPUAMISMLTC-UHFFFAOYSA-N 0 0 132.162 2.741 10 0 AFAERN Cc1oc2c(c1C)C(=O)C[C@H](C)C2 57348211 169008935 /nfs/dbraw/zinc/00/89/35/169008935.db2.gz IOFZMNZYQZGDIO-LURJTMIESA-N 0 0 178.231 2.661 10 0 AFAERN Cc1occc1C(=O)C(C)(C)C 34115458 169009064 /nfs/dbraw/zinc/00/90/64/169009064.db2.gz CIHRGJKEHHUCPR-UHFFFAOYSA-N 0 0 166.220 2.817 10 0 AFAERN Cc1oc2c(N)cccc2c1C 82850272 169009075 /nfs/dbraw/zinc/00/90/75/169009075.db2.gz HIOHVHJNFQYADX-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN Cc1oc2ccc(O)cc2c1C 75545298 169009157 /nfs/dbraw/zinc/00/91/57/169009157.db2.gz VTOLNAPSEYGTHS-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1oc2cc(O)ccc2c1C 75545303 169009210 /nfs/dbraw/zinc/00/92/10/169009210.db2.gz QUQGVSBHQVNHKL-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1oc2c(c1C)C(=O)C[C@@H](C)C2 57348215 169009339 /nfs/dbraw/zinc/00/93/39/169009339.db2.gz IOFZMNZYQZGDIO-ZCFIWIBFSA-N 0 0 178.231 2.661 10 0 AFAERN Cc1oc2cc(C=O)c(O)cc2c1C 82390623 169009345 /nfs/dbraw/zinc/00/93/45/169009345.db2.gz CRSJHLQKOSEDLD-UHFFFAOYSA-N 0 0 190.198 2.568 10 0 AFAERN Cc1oc2cccc(O)c2c1C 39190271 169009364 /nfs/dbraw/zinc/00/93/64/169009364.db2.gz ZOEYHYCSWQMZIQ-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1oc2cc(O)c(C=O)cc2c1C 82390626 169009452 /nfs/dbraw/zinc/00/94/52/169009452.db2.gz CYULMFJPJWIHRL-UHFFFAOYSA-N 0 0 190.198 2.568 10 0 AFAERN Cc1occc1-c1nc2cccnc2[nH]1 44265290 169009636 /nfs/dbraw/zinc/00/96/36/169009636.db2.gz BUPJVLHZOWJVNJ-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN Cc1oc2cc(N)ccc2c1C 39136425 169009796 /nfs/dbraw/zinc/00/97/96/169009796.db2.gz MMUIKIOWMYFWQW-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN Cc1oc2c(C=O)cccc2c1C 34534098 169009826 /nfs/dbraw/zinc/00/98/26/169009826.db2.gz MNJBNVZZHSDZEO-UHFFFAOYSA-N 0 0 174.199 2.862 10 0 AFAERN Cc1oc2cccc(N)c2c1C 39136429 169009965 /nfs/dbraw/zinc/00/99/65/169009965.db2.gz QNWNTNVVURXHKV-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN Cc1oc2cccc(C)c2c1C=O 82399489 169010158 /nfs/dbraw/zinc/01/01/58/169010158.db2.gz JDXWQXKHUVAVQC-UHFFFAOYSA-N 0 0 174.199 2.862 10 0 AFAERN Cc1occc1C(=O)c1cccs1 35368964 169010845 /nfs/dbraw/zinc/01/08/45/169010845.db2.gz WPWPRYYCRRRGGX-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1occc1[C@H](O)C1=CCCC1 50329180 169011388 /nfs/dbraw/zinc/01/13/88/169011388.db2.gz QVXMXFLOKDGOAP-LLVKDONJSA-N 0 0 178.231 2.732 10 0 AFAERN Cc1occc1[C@H](O)c1ccccc1 40244070 169011410 /nfs/dbraw/zinc/01/14/10/169011410.db2.gz VDBNAZPUFNJXOX-GFCCVEGCSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1ocnc1-c1ccccc1 3624597 169011451 /nfs/dbraw/zinc/01/14/51/169011451.db2.gz LWBCTCYKAUXFNI-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1occc1[C@@H](O)c1cccs1 40247660 169011729 /nfs/dbraw/zinc/01/17/29/169011729.db2.gz HJLYGYMEYLIYKU-SNVBAGLBSA-N 0 0 194.255 2.731 10 0 AFAERN Cc1occc1[C@@H](O)C1=CCCC1 50329181 169011746 /nfs/dbraw/zinc/01/17/46/169011746.db2.gz QVXMXFLOKDGOAP-NSHDSACASA-N 0 0 178.231 2.732 10 0 AFAERN Cc1occc1[C@@H](O)c1ccccc1 40244071 169011812 /nfs/dbraw/zinc/01/18/12/169011812.db2.gz VDBNAZPUFNJXOX-LBPRGKRZSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1occc1[C@H](O)c1cccs1 40247659 169012055 /nfs/dbraw/zinc/01/20/55/169012055.db2.gz HJLYGYMEYLIYKU-JTQLQIEISA-N 0 0 194.255 2.731 10 0 AFAERN Cc1occc1C(=O)c1ccccc1 35368788 169012180 /nfs/dbraw/zinc/01/21/80/169012180.db2.gz GCQCNFRSBRUBRK-UHFFFAOYSA-N 0 0 186.210 2.819 10 0 AFAERN Cc1onc(C2CCCCC2)c1CO 75515626 169012939 /nfs/dbraw/zinc/01/29/39/169012939.db2.gz JKPJVLWLVOOGFR-UHFFFAOYSA-N 0 0 195.262 2.523 10 0 AFAERN Cc1onc(/C=C/CC(C)C)c1N 21953586 169013283 /nfs/dbraw/zinc/01/32/83/169013283.db2.gz JHVMEDXCQRDFCO-GQCTYLIASA-N 0 0 180.251 2.625 10 0 AFAERN Cc1onc(-c2ccccc2)c1C 1557458 169013401 /nfs/dbraw/zinc/01/34/01/169013401.db2.gz KHSDNLGBBHFIAF-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1sc(N)cc1-c1cc[nH]c1 105865739 169014710 /nfs/dbraw/zinc/01/47/10/169014710.db2.gz QLHWFKWIPRMTLF-UHFFFAOYSA-N 0 0 178.260 2.634 10 0 AFAERN Cc1sc(N2CCC2)nc1C1CC1 334585700 169015046 /nfs/dbraw/zinc/01/50/46/169015046.db2.gz BNJOUUHFMYSBTJ-UHFFFAOYSA-N 0 0 194.303 2.539 10 0 AFAERN Cc1sc(N)cc1C(C)C 107105241 169015083 /nfs/dbraw/zinc/01/50/83/169015083.db2.gz ABCTYTWCGNTMQE-UHFFFAOYSA-N 0 0 155.266 2.762 10 0 AFAERN Cc1sc(=S)[nH]c1C(C)C 39104684 169015121 /nfs/dbraw/zinc/01/51/21/169015121.db2.gz ADBSTNAYQBHUDD-UHFFFAOYSA-N 0 0 173.306 2.864 10 0 AFAERN Cc1sc(N)cc1C(C)(C)C 107101212 169015360 /nfs/dbraw/zinc/01/53/60/169015360.db2.gz CYQZYCAYJWWSTE-UHFFFAOYSA-N 0 0 169.293 2.936 10 0 AFAERN Cc1sc2ccc(O)c(N)c2c1C 82387932 169015748 /nfs/dbraw/zinc/01/57/48/169015748.db2.gz JOYTYRKIWCGERF-UHFFFAOYSA-N 0 0 193.271 2.806 10 0 AFAERN Cc1sc(C(=O)CC(C)C)cc1N 82384935 169015762 /nfs/dbraw/zinc/01/57/62/169015762.db2.gz ABRMOBYQPMBKFQ-UHFFFAOYSA-N 0 0 197.303 2.868 10 0 AFAERN Cc1sc(N)cc1-c1ccn(C)c1 105866760 169015790 /nfs/dbraw/zinc/01/57/90/169015790.db2.gz DNNPYMMLAIHECA-UHFFFAOYSA-N 0 0 192.287 2.644 10 0 AFAERN Cc1scc(N)c1C(C)C 82406520 169015801 /nfs/dbraw/zinc/01/58/01/169015801.db2.gz XXSXESOMAXUJJU-UHFFFAOYSA-N 0 0 155.266 2.762 10 0 AFAERN Cc1scnc1CC(C)C 39199753 169016078 /nfs/dbraw/zinc/01/60/78/169016078.db2.gz PFXPAQPYAGYSSV-UHFFFAOYSA-N 0 0 155.266 2.650 10 0 AFAERN Cl/C=C/Cc1ccccc1 1668652 169016382 /nfs/dbraw/zinc/01/63/82/169016382.db2.gz JJTUJRVKTPSEFZ-XBXARRHUSA-N 0 0 152.624 2.982 10 0 AFAERN Cl/C=C/c1ccc2c(c1)OCO2 21997421 169016397 /nfs/dbraw/zinc/01/63/97/169016397.db2.gz QTRKODMYVTZIJJ-ONEGZZNKSA-N 0 0 182.606 2.625 10 0 AFAERN Cl/C=C\Cc1ccccc1 95934421 169016425 /nfs/dbraw/zinc/01/64/25/169016425.db2.gz JJTUJRVKTPSEFZ-YWEYNIOJSA-N 0 0 152.624 2.982 10 0 AFAERN Cl/C=C\c1nc2ccccc2[nH]1 95921934 169016591 /nfs/dbraw/zinc/01/65/91/169016591.db2.gz HZNHHKQUAUGNCF-WAYWQWQTSA-N 0 0 178.622 2.772 10 0 AFAERN Cc1scnc1C(C)C 39134551 169016631 /nfs/dbraw/zinc/01/66/31/169016631.db2.gz KSILGMOBWDKRIZ-UHFFFAOYSA-N 0 0 141.239 2.575 10 0 AFAERN Cc1sccc1[C@H](C)c1c[nH]cn1 13862261 169016637 /nfs/dbraw/zinc/01/66/37/169016637.db2.gz BOWJOBTWKBJWCN-ZETCQYMHSA-N 0 0 192.287 2.931 10 0 AFAERN Cc1sccc1[C@@H](C)c1c[nH]cn1 13862260 169016681 /nfs/dbraw/zinc/01/66/81/169016681.db2.gz BOWJOBTWKBJWCN-SSDOTTSWSA-N 0 0 192.287 2.931 10 0 AFAERN Cc1scnc1-c1cccc(N)c1 58521300 169016689 /nfs/dbraw/zinc/01/66/89/169016689.db2.gz AOQKRUGDFNGNCX-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1scnc1-c1ccc(N)cc1 58521301 169016830 /nfs/dbraw/zinc/01/68/30/169016830.db2.gz ITARIFFEXDUURZ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cl/C=C/COc1ccccc1 33842018 169016832 /nfs/dbraw/zinc/01/68/32/169016832.db2.gz AYSHEHSQGMNMJY-QPJJXVBHSA-N 0 0 168.623 2.818 10 0 AFAERN ClC1=Nc2ccccc2C1 100248617 169017452 /nfs/dbraw/zinc/01/74/52/169017452.db2.gz XPVBKMRHWYGXMY-UHFFFAOYSA-N 0 0 151.596 2.512 10 0 AFAERN ClC=C1Cc2ccccc2C1 100046240 169017726 /nfs/dbraw/zinc/01/77/26/169017726.db2.gz PURGMNCVCOGGMW-UHFFFAOYSA-N 0 0 164.635 2.908 10 0 AFAERN ClC1=Cc2ccccc2C1 98180028 169018059 /nfs/dbraw/zinc/01/80/59/169018059.db2.gz XEEIRQWDSJIQKT-UHFFFAOYSA-N 0 0 150.608 2.822 10 0 AFAERN ClN(Cl)c1ccccc1 6096719 169020402 /nfs/dbraw/zinc/02/04/02/169020402.db2.gz DADSZOFTIIETSV-UHFFFAOYSA-N 0 0 162.019 2.801 10 0 AFAERN ClN[C@@H]1CCCc2ccccc21 83309291 169020768 /nfs/dbraw/zinc/02/07/68/169020768.db2.gz ISJUAUDPLNTUDA-SNVBAGLBSA-N 0 0 181.666 2.807 10 0 AFAERN Clc1cc([C@H]2CCSC2)ccn1 72193292 169021267 /nfs/dbraw/zinc/02/12/67/169021267.db2.gz FFRULAZXOGTHEQ-QMMMGPOBSA-N 0 0 199.706 2.956 10 0 AFAERN Clc1ccc(-c2cccnc2)nc1 34427699 169021388 /nfs/dbraw/zinc/02/13/88/169021388.db2.gz WRNIRXIBVZUVKU-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ccc(-c2c[nH]cn2)s1 41202892 169021405 /nfs/dbraw/zinc/02/14/05/169021405.db2.gz COQVGHJKLKPNKE-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN Clc1ccc(-c2cncs2)nc1 117059650 169021436 /nfs/dbraw/zinc/02/14/36/169021436.db2.gz GUWPZGSHHGROHS-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Clc1cc([C@H]2CCCO2)ccn1 72193276 169021527 /nfs/dbraw/zinc/02/15/27/169021527.db2.gz NDWYXMWYFGMFDS-MRVPVSSYSA-N 0 0 183.638 2.587 10 0 AFAERN Clc1ccc(-c2ncccn2)cc1 39074933 169021529 /nfs/dbraw/zinc/02/15/29/169021529.db2.gz FWEROGCMSQUVBH-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1cc([C@@H]2CCCO2)ccn1 72193275 169021552 /nfs/dbraw/zinc/02/15/52/169021552.db2.gz NDWYXMWYFGMFDS-QMMMGPOBSA-N 0 0 183.638 2.587 10 0 AFAERN Clc1cc2nc(Cl)ccc2cn1 95774304 169021890 /nfs/dbraw/zinc/02/18/90/169021890.db2.gz YKSOVRSCPSFONF-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN Clc1cc(-c2cccnc2)ccn1 47212637 169021988 /nfs/dbraw/zinc/02/19/88/169021988.db2.gz YCGWUEZNJLCLCV-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1cc2cccccc-2n1 39194294 169021991 /nfs/dbraw/zinc/02/19/91/169021991.db2.gz GGYZUNREKFJCBU-UHFFFAOYSA-N 0 0 163.607 2.840 10 0 AFAERN Clc1cc(Cl)c2ncncc2c1 5425762 169022179 /nfs/dbraw/zinc/02/21/79/169022179.db2.gz YZAFUDFTSSXWBD-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN Clc1ccc(-c2cnoc2)cc1 1503052 169022247 /nfs/dbraw/zinc/02/22/47/169022247.db2.gz OYPIJHVFFUPIOZ-UHFFFAOYSA-N 0 0 179.606 2.995 10 0 AFAERN Clc1cc2cnncc2cc1Cl 90484651 169022253 /nfs/dbraw/zinc/02/22/53/169022253.db2.gz JBSFMTCMSMMUTB-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN Clc1cc([C@@H]2CCSC2)ccn1 72193291 169022257 /nfs/dbraw/zinc/02/22/57/169022257.db2.gz FFRULAZXOGTHEQ-MRVPVSSYSA-N 0 0 199.706 2.956 10 0 AFAERN Clc1ccc(-c2ccncc2)nc1 44121785 169022530 /nfs/dbraw/zinc/02/25/30/169022530.db2.gz WKVADAGSPFQERT-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ccc(CC[C@H]2CO2)cc1 6092871 169022914 /nfs/dbraw/zinc/02/29/14/169022914.db2.gz XGQOGVGIYGXEDR-JTQLQIEISA-N 0 0 182.650 2.671 10 0 in-vitro AFAERN Clc1ccc(N[C@H]2CCOC2)cc1 70963915 169023022 /nfs/dbraw/zinc/02/30/22/169023022.db2.gz BSCSEINHFOMXOV-JTQLQIEISA-N 0 0 197.665 2.541 10 0 AFAERN Clc1ccc2c(c1)C=CCO2 1712940 169023110 /nfs/dbraw/zinc/02/31/10/169023110.db2.gz GVHCIIQGXMEYSL-UHFFFAOYSA-N 0 0 166.607 2.746 10 0 AFAERN Clc1ccc(NC2CC2)cc1 38995830 169023184 /nfs/dbraw/zinc/02/31/84/169023184.db2.gz MGTQLBDMYKGGKX-UHFFFAOYSA-N 0 0 167.639 2.914 10 0 AFAERN Clc1ccc(C2CCCC2)nn1 54078771 169023324 /nfs/dbraw/zinc/02/33/24/169023324.db2.gz VWUKRWJGOAVNJE-UHFFFAOYSA-N 0 0 182.654 2.788 10 0 AFAERN Clc1ccc([C@@H]2CCCO2)cn1 72193295 169023346 /nfs/dbraw/zinc/02/33/46/169023346.db2.gz CJYMVENBZZFZIX-QMMMGPOBSA-N 0 0 183.638 2.587 10 0 AFAERN Clc1ccc2ccnc(Cl)c2n1 95763462 169023353 /nfs/dbraw/zinc/02/33/53/169023353.db2.gz IFIMHYDUPUUCDF-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN Clc1ccc2c(c1)NCC=C2 71479725 169023677 /nfs/dbraw/zinc/02/36/77/169023677.db2.gz XTSIZZMJGHFCMK-UHFFFAOYSA-N 0 0 165.623 2.779 10 0 AFAERN Clc1ccc(Cl)c2nonc12 96332302 169023704 /nfs/dbraw/zinc/02/37/04/169023704.db2.gz HPTKXWHMCKPSKX-UHFFFAOYSA-N 0 0 189.001 2.530 10 0 AFAERN Clc1ccc2c(c1)CC=CCO2 39941621 169023711 /nfs/dbraw/zinc/02/37/11/169023711.db2.gz AGPFEHQLYWUISO-UHFFFAOYSA-N 0 0 180.634 2.831 10 0 AFAERN Clc1ccc(Cc2c[nH]cn2)cc1 34317804 169023758 /nfs/dbraw/zinc/02/37/58/169023758.db2.gz GJDDFJUGBDTFJB-UHFFFAOYSA-N 0 0 192.649 2.654 10 0 AFAERN Clc1ccc(N[C@@H]2CCOC2)cc1 70963911 169023781 /nfs/dbraw/zinc/02/37/81/169023781.db2.gz BSCSEINHFOMXOV-SNVBAGLBSA-N 0 0 197.665 2.541 10 0 AFAERN Clc1ccc2c(c1)NCCCN2 76607696 169023810 /nfs/dbraw/zinc/02/38/10/169023810.db2.gz PXGSGFBKXKBJGK-UHFFFAOYSA-N 0 0 182.654 2.568 10 0 AFAERN Clc1ccc2c(c1)NCCCO2 62520330 169023848 /nfs/dbraw/zinc/02/38/48/169023848.db2.gz GPTVCZYIEPGCNQ-UHFFFAOYSA-N 0 0 183.638 2.534 10 0 AFAERN Clc1ccc(N2CCCC2)cc1 5161915 169023874 /nfs/dbraw/zinc/02/38/74/169023874.db2.gz DPQIAEJLCJLSJK-UHFFFAOYSA-N 0 0 181.666 2.940 10 0 AFAERN Clc1ccc2c(c1)C=CCN2 71479729 169023900 /nfs/dbraw/zinc/02/39/00/169023900.db2.gz NTTRHQRZWILVKB-UHFFFAOYSA-N 0 0 165.623 2.779 10 0 AFAERN Clc1ccc(NC2CSC2)cc1 76637920 169023929 /nfs/dbraw/zinc/02/39/29/169023929.db2.gz DLHXZYSKTKPQJE-UHFFFAOYSA-N 0 0 199.706 2.867 10 0 AFAERN Clc1ccc(Cc2ncc[nH]2)cc1 82733959 169023953 /nfs/dbraw/zinc/02/39/53/169023953.db2.gz KOLRMWAFBJEBHR-UHFFFAOYSA-N 0 0 192.649 2.654 10 0 AFAERN Clc1ccc(Cl)c2c1OCO2 38434681 169023976 /nfs/dbraw/zinc/02/39/76/169023976.db2.gz FVPOTTJNYSCSMN-UHFFFAOYSA-N 0 0 191.013 2.722 10 0 AFAERN Clc1ccc2[nH]ccc2c1 100248570 169023989 /nfs/dbraw/zinc/02/39/89/169023989.db2.gz UZALROHLTCSLJQ-UHFFFAOYSA-N 0 0 151.596 2.598 10 0 AFAERN Clc1ccc(Cl)o1 77054728 169024030 /nfs/dbraw/zinc/02/40/30/169024030.db2.gz UWWPONFLTBNRKY-UHFFFAOYSA-N 0 0 136.965 2.586 10 0 AFAERN Clc1ccc([C@H]2CCCC[NH2+]2)o1 83276558 169024043 /nfs/dbraw/zinc/02/40/43/169024043.db2.gz GCVDSXWKLVLLOS-SSDOTTSWSA-N 0 0 185.654 2.748 10 0 AFAERN Clc1ccc(CC[C@@H]2CO2)cc1 6092870 169024048 /nfs/dbraw/zinc/02/40/48/169024048.db2.gz XGQOGVGIYGXEDR-SNVBAGLBSA-N 0 0 182.650 2.671 10 0 in-vitro AFAERN Clc1ccc([C@H]2CCCO2)cn1 72193296 169024086 /nfs/dbraw/zinc/02/40/86/169024086.db2.gz CJYMVENBZZFZIX-MRVPVSSYSA-N 0 0 183.638 2.587 10 0 AFAERN Clc1cccc(-c2ccncn2)c1 407455 169024596 /nfs/dbraw/zinc/02/45/96/169024596.db2.gz OVUMUJFIJJEAHI-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ccnc(-c2ccncc2)c1 47216705 169024662 /nfs/dbraw/zinc/02/46/62/169024662.db2.gz KEJMRFQAMHFLOG-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ccccc1NC1CC1 82710784 169024682 /nfs/dbraw/zinc/02/46/82/169024682.db2.gz IJIPCSXNHDUHAU-UHFFFAOYSA-N 0 0 167.639 2.914 10 0 AFAERN Clc1cccc([C@H]2CCCO2)n1 72193306 169024699 /nfs/dbraw/zinc/02/46/99/169024699.db2.gz MHKAJSWVPJHKNQ-MRVPVSSYSA-N 0 0 183.638 2.587 10 0 AFAERN Clc1cccn2c(Cl)cnc12 89202310 169024733 /nfs/dbraw/zinc/02/47/33/169024733.db2.gz PZRJUDCMLADRAY-UHFFFAOYSA-N 0 0 187.029 2.641 10 0 AFAERN Clc1cccc(N2CCC=N2)c1 21995246 169024751 /nfs/dbraw/zinc/02/47/51/169024751.db2.gz AMNLSQVRIJNUNZ-UHFFFAOYSA-N 0 0 180.638 2.536 10 0 AFAERN Clc1ccccc1N1CCCC1 34077965 169024895 /nfs/dbraw/zinc/02/48/95/169024895.db2.gz UCVASMRRCMIHAO-UHFFFAOYSA-N 0 0 181.666 2.940 10 0 AFAERN Clc1ccccc1-c1ccncn1 38258619 169024922 /nfs/dbraw/zinc/02/49/22/169024922.db2.gz NOBYMFQXWUVSAP-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ccccc1OC1CC1 95724053 169025002 /nfs/dbraw/zinc/02/50/02/169025002.db2.gz XYSVICBBBFDAGW-UHFFFAOYSA-N 0 0 168.623 2.881 10 0 AFAERN Clc1cccc2[nH]ccc12 100248582 169025205 /nfs/dbraw/zinc/02/52/05/169025205.db2.gz NPBQYKYHAYBCAU-UHFFFAOYSA-N 0 0 151.596 2.598 10 0 AFAERN Clc1cccnc1-c1ccncc1 47212626 169025243 /nfs/dbraw/zinc/02/52/43/169025243.db2.gz BEWSCSFYXAVKCV-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1cccc2c1OCCCN2 62520334 169025365 /nfs/dbraw/zinc/02/53/65/169025365.db2.gz PBDTXTWRRIKSAH-UHFFFAOYSA-N 0 0 183.638 2.534 10 0 AFAERN Clc1cccc2c1OCC=C2 39419976 169025378 /nfs/dbraw/zinc/02/53/78/169025378.db2.gz BTRGIONDRRRSJU-UHFFFAOYSA-N 0 0 166.607 2.746 10 0 AFAERN Clc1cccnc1-c1cccnc1 47212624 169025393 /nfs/dbraw/zinc/02/53/93/169025393.db2.gz YYDSIIHRVGLTSI-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1cccc([C@@H]2CCCO2)n1 72193305 169025414 /nfs/dbraw/zinc/02/54/14/169025414.db2.gz MHKAJSWVPJHKNQ-QMMMGPOBSA-N 0 0 183.638 2.587 10 0 AFAERN Clc1cccc(-c2ncccn2)c1 39168839 169025428 /nfs/dbraw/zinc/02/54/28/169025428.db2.gz YNAHBABKWYCHHH-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ccccc1-c1ncccn1 34500796 169025450 /nfs/dbraw/zinc/02/54/50/169025450.db2.gz JOLXIPMUKIGMEX-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ccnc(-c2cccnc2)c1 34534492 169025476 /nfs/dbraw/zinc/02/54/76/169025476.db2.gz CDQMMWWCMQSUJF-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ccccc1CC[C@@H]1CO1 107496320 169025492 /nfs/dbraw/zinc/02/54/92/169025492.db2.gz IWZVODRTLHMZFE-SECBINFHSA-N 0 0 182.650 2.671 10 0 AFAERN Clc1cccc2c1NCC=C2 71479722 169025577 /nfs/dbraw/zinc/02/55/77/169025577.db2.gz XUAOQZNKCQIXPF-UHFFFAOYSA-N 0 0 165.623 2.779 10 0 AFAERN Clc1cccc2c1NCCCN2 36372602 169025582 /nfs/dbraw/zinc/02/55/82/169025582.db2.gz AVBYQFFFJDRDHL-UHFFFAOYSA-N 0 0 182.654 2.568 10 0 AFAERN Clc1ccccc1Cc1ncc[nH]1 82733960 169025586 /nfs/dbraw/zinc/02/55/86/169025586.db2.gz CGYRZILXCROPRH-UHFFFAOYSA-N 0 0 192.649 2.654 10 0 AFAERN Clc1cccc([C@H]2CCCC[NH2+]2)n1 3734833 169025614 /nfs/dbraw/zinc/02/56/14/169025614.db2.gz KEKZEYACGLCIBQ-MRVPVSSYSA-N 0 0 196.681 2.550 10 0 AFAERN Clc1ccccc1Cc1c[nH]cn1 33610518 169025664 /nfs/dbraw/zinc/02/56/64/169025664.db2.gz YUIXJMDBSJGFOZ-UHFFFAOYSA-N 0 0 192.649 2.654 10 0 AFAERN Clc1ccccc1CC[C@H]1CO1 107496323 169025678 /nfs/dbraw/zinc/02/56/78/169025678.db2.gz IWZVODRTLHMZFE-VIFPVBQESA-N 0 0 182.650 2.671 10 0 AFAERN Clc1ccccc1NC1CSC1 76637922 169025744 /nfs/dbraw/zinc/02/57/44/169025744.db2.gz GXYNMRNMGNCYST-UHFFFAOYSA-N 0 0 199.706 2.867 10 0 AFAERN Clc1cccc(-c2cncnc2)c1 16946107 169025757 /nfs/dbraw/zinc/02/57/57/169025757.db2.gz HPNOVVPASGEAPI-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1cccc(C2OCCCO2)c1 36437195 169025787 /nfs/dbraw/zinc/02/57/87/169025787.db2.gz OKNDQHVZMVRWEW-UHFFFAOYSA-N 0 0 198.649 2.776 10 0 AFAERN Clc1ccncc1-c1ccncc1 47212632 169026224 /nfs/dbraw/zinc/02/62/24/169026224.db2.gz OAWDEDMUEKTKHH-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ccncc1-c1cccnc1 47212631 169026465 /nfs/dbraw/zinc/02/64/65/169026465.db2.gz UKNKYADEDMDEEI-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1cncc(-c2ccncc2)c1 47212635 169026474 /nfs/dbraw/zinc/02/64/74/169026474.db2.gz SYQWEFKVWXWRDR-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1c[nH]c(-c2ccccc2)n1 39136857 169026522 /nfs/dbraw/zinc/02/65/22/169026522.db2.gz UKDAHYRLJGMRDQ-UHFFFAOYSA-N 0 0 178.622 2.730 10 0 AFAERN Clc1c[nH]c(Cc2ccccc2)n1 95756970 169026715 /nfs/dbraw/zinc/02/67/15/169026715.db2.gz LDQQYTDTNODRJC-UHFFFAOYSA-N 0 0 192.649 2.654 10 0 AFAERN Clc1cnccc1-c1cccnc1 47212639 169026717 /nfs/dbraw/zinc/02/67/17/169026717.db2.gz NQYDBKXBNOQVBE-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1cnc2oc(C3CC3)nc2c1 74328558 169026732 /nfs/dbraw/zinc/02/67/32/169026732.db2.gz NPTJCDOCTSYVGL-UHFFFAOYSA-N 0 0 194.621 2.754 10 0 AFAERN Clc1cnccc1-c1ccncc1 47212641 169026882 /nfs/dbraw/zinc/02/68/82/169026882.db2.gz LAUSAIIEAHCLQR-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1cncc(C2CCCC2)n1 95775817 169026885 /nfs/dbraw/zinc/02/68/85/169026885.db2.gz JMTPTDXMRAWXAN-UHFFFAOYSA-N 0 0 182.654 2.788 10 0 AFAERN Clc1ccnc2c(Cl)cncc12 57354302 169026956 /nfs/dbraw/zinc/02/69/56/169026956.db2.gz PGXORTVXBJKMDQ-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN Clc1ncccc1NC1CCC1 44481057 169027268 /nfs/dbraw/zinc/02/72/68/169027268.db2.gz DSXNUBZUNSELRX-UHFFFAOYSA-N 0 0 182.654 2.699 10 0 AFAERN Clc1ncc(-c2ccncc2)s1 144099855 169027325 /nfs/dbraw/zinc/02/73/25/169027325.db2.gz NZAAFAOLAVFJRJ-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Clc1nnc(C2CCCCC2)o1 71499954 169027336 /nfs/dbraw/zinc/02/73/36/169027336.db2.gz SAUXBHIIBKFYHV-UHFFFAOYSA-N 0 0 186.642 2.771 10 0 AFAERN Clc1ncnc2c1[C@H](C1CC1)N=N2 222929740 169027488 /nfs/dbraw/zinc/02/74/88/169027488.db2.gz UZBASHZVVWVLES-LURJTMIESA-N 0 0 194.625 2.678 10 0 AFAERN Clc1ncccc1-c1cccnc1 38811943 169027734 /nfs/dbraw/zinc/02/77/34/169027734.db2.gz DLVNOCMKUDMRFP-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ncnc2c1[C@@H](C1CC1)N=N2 222929799 169027814 /nfs/dbraw/zinc/02/78/14/169027814.db2.gz UZBASHZVVWVLES-ZCFIWIBFSA-N 0 0 194.625 2.678 10 0 AFAERN Clc1ncccc1C1=CCOCC1 146294552 169028107 /nfs/dbraw/zinc/02/81/07/169028107.db2.gz HSHYOXQSTJAOMA-UHFFFAOYSA-N 0 0 195.649 2.539 10 0 AFAERN Clc1nccc(C2CCCC2)n1 38580154 169028209 /nfs/dbraw/zinc/02/82/09/169028209.db2.gz KZPUDMKLJWIYCC-UHFFFAOYSA-N 0 0 182.654 2.788 10 0 AFAERN Clc1ncccc1-c1ccncc1 47212629 169028448 /nfs/dbraw/zinc/02/84/48/169028448.db2.gz ZAKLBHNPJJJERC-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Clc1ncc(C2CCCC2)cn1 72192095 169028465 /nfs/dbraw/zinc/02/84/65/169028465.db2.gz YVRISXXALXKBOH-UHFFFAOYSA-N 0 0 182.654 2.788 10 0 AFAERN Clc1ncc(Cc2ccccc2)o1 95761667 169028519 /nfs/dbraw/zinc/02/85/19/169028519.db2.gz RFWJYPIXSYQBLO-UHFFFAOYSA-N 0 0 193.633 2.919 10 0 AFAERN Cn1c(/C=C\Cl)nc2ccccc21 95921933 169029595 /nfs/dbraw/zinc/02/95/95/169029595.db2.gz WHPSUERPEUODHZ-SREVYHEPSA-N 0 0 192.649 2.783 10 0 AFAERN Cn1c(C(C)(C)C)nc2ccccc21 561410 169031265 /nfs/dbraw/zinc/03/12/65/169031265.db2.gz HFHHJBNFOGRDMA-UHFFFAOYSA-N 0 0 188.274 2.871 10 0 AFAERN Cn1c(C=O)ccc1-c1ccccc1 40169445 169031530 /nfs/dbraw/zinc/03/15/30/169031530.db2.gz NHYBJDIAERRFRM-UHFFFAOYSA-N 0 0 185.226 2.505 10 0 AFAERN Cn1c2c(c3ccccc31)CCC2 39188417 169034595 /nfs/dbraw/zinc/03/45/95/169034595.db2.gz JEECPIREMILUTP-UHFFFAOYSA-N 0 0 171.243 2.667 10 0 AFAERN Cn1cc(-c2ccccc2)nc1Cl 114949548 169035407 /nfs/dbraw/zinc/03/54/07/169035407.db2.gz MMKSKLVVIRFQCM-UHFFFAOYSA-N 0 0 192.649 2.741 10 0 AFAERN Cn1cc(C(=O)C2CC2)c2ccccc21 9239746 169036387 /nfs/dbraw/zinc/03/63/87/169036387.db2.gz FINRWWDMRJXLTQ-UHFFFAOYSA-N 0 0 199.253 2.771 10 0 AFAERN Cn1cc(C=O)cc1C1CCCCC1 82389480 169038288 /nfs/dbraw/zinc/03/82/88/169038288.db2.gz UARISUXAGBNTKP-UHFFFAOYSA-N 0 0 191.274 2.885 10 0 AFAERN Cn1cc(C=O)c2c(Cl)cccc21 58823851 169039002 /nfs/dbraw/zinc/03/90/02/169039002.db2.gz LVIDTXMLMRTBNQ-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN Cn1ccc(-c2ccccc2)c1 29131142 169042952 /nfs/dbraw/zinc/04/29/52/169042952.db2.gz RIAJNRHROUYNKE-UHFFFAOYSA-N 0 0 157.216 2.692 10 0 AFAERN Cn1ccc(-c2ccc(F)cc2)c1 29131050 169043303 /nfs/dbraw/zinc/04/33/03/169043303.db2.gz DHLIQZZHJBYOCA-UHFFFAOYSA-N 0 0 175.206 2.831 10 0 AFAERN Cn1ccc(-c2ccc(C=O)s2)c1 82530424 169043584 /nfs/dbraw/zinc/04/35/84/169043584.db2.gz FDMQDTSHMCKIMU-UHFFFAOYSA-N 0 0 191.255 2.566 10 0 AFAERN Cn1ccc(C(=O)CC(C)(C)C)c1 71497957 169044839 /nfs/dbraw/zinc/04/48/39/169044839.db2.gz BGRZSDSKRQEPDD-UHFFFAOYSA-N 0 0 179.263 2.644 10 0 AFAERN Cn1ccc(C(=O)C2CCCCC2)c1 71505749 169044875 /nfs/dbraw/zinc/04/48/75/169044875.db2.gz MDMBUYXPJVEMSS-UHFFFAOYSA-N 0 0 191.274 2.788 10 0 AFAERN Cn1ccc(CSC2CCCC2)n1 306724201 169046485 /nfs/dbraw/zinc/04/64/85/169046485.db2.gz IIPSXQWFVYDRQD-UHFFFAOYSA-N 0 0 196.319 2.596 10 0 AFAERN Cn1ccc2c(Cl)c(C=O)ccc21 82387739 169046595 /nfs/dbraw/zinc/04/65/95/169046595.db2.gz URDLIWCLCGZFBD-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN Cn1ccc2ccc(C=O)c(Cl)c21 76635970 169047924 /nfs/dbraw/zinc/04/79/24/169047924.db2.gz HTDANXISZDCVFS-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN Cn1ccc2cc(Cl)cc(C=O)c21 82387727 169048675 /nfs/dbraw/zinc/04/86/75/169048675.db2.gz SPPQSNDXXLVRPM-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN Cn1cccc2nc3ccccc3c1-2 101387525 169049860 /nfs/dbraw/zinc/04/98/60/169049860.db2.gz VFAJYYGKZZDBFN-UHFFFAOYSA-N 0 0 182.226 2.678 10 0 AFAERN Cn1ccnc1-c1cc2ccccc2o1 33894365 169051071 /nfs/dbraw/zinc/05/10/71/169051071.db2.gz LPDGYFFMCHPGRE-UHFFFAOYSA-N 0 0 198.225 2.833 10 0 AFAERN Cn1ccnc1-c1cccc(Cl)c1 41206117 169051687 /nfs/dbraw/zinc/05/16/87/169051687.db2.gz OOPHKHMUHBTHND-UHFFFAOYSA-N 0 0 192.649 2.741 10 0 AFAERN Cn1ccnc1-c1ccc(Cl)cc1 34534572 169052554 /nfs/dbraw/zinc/05/25/54/169052554.db2.gz NEFBALYBSGKDEI-UHFFFAOYSA-N 0 0 192.649 2.741 10 0 AFAERN Cn1cnc(-c2ccc(Cl)s2)c1 41209597 169053089 /nfs/dbraw/zinc/05/30/89/169053089.db2.gz GGMSNZRCBUBUJC-UHFFFAOYSA-N 0 0 198.678 2.802 10 0 AFAERN Cn1ccnc1Sc1ccccc1 38416567 169054144 /nfs/dbraw/zinc/05/41/44/169054144.db2.gz ORCWXWOSEJBVPQ-UHFFFAOYSA-N 0 0 190.271 2.571 10 0 AFAERN Cn1cnc2c1CCC[C@H]2C(C)(C)C 76087295 169055167 /nfs/dbraw/zinc/05/51/67/169055167.db2.gz QOOHRVRPLCLQQJ-SECBINFHSA-N 0 0 192.306 2.886 10 0 AFAERN Cn1cnc2c1CCC[C@@H]2C(C)(C)C 76087298 169055304 /nfs/dbraw/zinc/05/53/04/169055304.db2.gz QOOHRVRPLCLQQJ-VIFPVBQESA-N 0 0 192.306 2.886 10 0 AFAERN Cn1cnc2c3ccccc3ccc21 5337996 169056249 /nfs/dbraw/zinc/05/62/49/169056249.db2.gz CQDTXPKCODZADQ-UHFFFAOYSA-N 0 0 182.226 2.727 10 0 AFAERN Cn1cnc2c1C[C@H](C(C)(C)C)CC2 76087553 169056275 /nfs/dbraw/zinc/05/62/75/169056275.db2.gz QZBFJSHMOXADDA-SECBINFHSA-N 0 0 192.306 2.571 10 0 AFAERN Cn1cnc2c1C[C@@H](C(C)(C)C)CC2 76087558 169056664 /nfs/dbraw/zinc/05/66/64/169056664.db2.gz QZBFJSHMOXADDA-VIFPVBQESA-N 0 0 192.306 2.571 10 0 AFAERN Cn1cnc2cccc3cccc1c32 186909 169058193 /nfs/dbraw/zinc/05/81/93/169058193.db2.gz WLQWDTFOKYWCQK-UHFFFAOYSA-N 0 0 182.226 2.727 10 0 AFAERN Cn1nc(-c2ccccc2)cc1Cl 39261592 169059505 /nfs/dbraw/zinc/05/95/05/169059505.db2.gz KZXLYZPMOREIDC-UHFFFAOYSA-N 0 0 192.649 2.741 10 0 AFAERN Cn1nc(C(C)(C)C)c2ccccc21 76190151 169061771 /nfs/dbraw/zinc/06/17/71/169061771.db2.gz HWXNOSUXSRVFMF-UHFFFAOYSA-N 0 0 188.274 2.871 10 0 AFAERN FC(F)(F)CC[N@@H+]1CCC12CCC2 307460500 169070729 /nfs/dbraw/zinc/07/07/29/169070729.db2.gz FMOIXDUJWBCMKY-UHFFFAOYSA-N 0 0 193.212 2.567 10 0 AFAERN FC(F)(F)C1SCCCS1 34273173 169070882 /nfs/dbraw/zinc/07/08/82/169070882.db2.gz ULQTUVOSTQXAAI-UHFFFAOYSA-N 0 0 188.239 2.745 10 0 AFAERN FC(F)(F)CNCC1CCCCC1 19431203 169070956 /nfs/dbraw/zinc/07/09/56/169070956.db2.gz SIWVJJIGMREYBO-UHFFFAOYSA-N 0 0 195.228 2.719 10 0 AFAERN FC(F)(F)C(F)(F)c1ccccn1 34204659 169071267 /nfs/dbraw/zinc/07/12/67/169071267.db2.gz JPNAQSMBKJRSPJ-UHFFFAOYSA-N 0 0 197.106 2.736 10 0 AFAERN FC(F)(F)C[C@H]1CCCCO1 90557591 169071615 /nfs/dbraw/zinc/07/16/15/169071615.db2.gz QMGXDKSCHLFBQD-ZCFIWIBFSA-N 0 0 168.158 2.508 10 0 AFAERN FC(F)(F)ONc1ccccc1 19615989 169071692 /nfs/dbraw/zinc/07/16/92/169071692.db2.gz KKARCEJENGWHPP-UHFFFAOYSA-N 0 0 177.125 2.550 10 0 AFAERN FC(F)(F)CN1CCCC12CCC2 306506823 169071712 /nfs/dbraw/zinc/07/17/12/169071712.db2.gz HEYUSPMRCMBFTC-UHFFFAOYSA-N 0 0 193.212 2.567 10 0 AFAERN FC(F)(F)C[C@@H]1CCCCO1 90557590 169072021 /nfs/dbraw/zinc/07/20/21/169072021.db2.gz QMGXDKSCHLFBQD-LURJTMIESA-N 0 0 168.158 2.508 10 0 AFAERN FC(F)(F)c1cccc2nccnc12 95616524 169072380 /nfs/dbraw/zinc/07/23/80/169072380.db2.gz WZWVTXWJJYIZEM-UHFFFAOYSA-N 0 0 198.147 2.649 10 0 AFAERN FC(F)(F)c1cccc2c1OCC2 75882929 169072783 /nfs/dbraw/zinc/07/27/83/169072783.db2.gz BJJDRYASQRFRCR-UHFFFAOYSA-N 0 0 188.148 2.640 10 0 AFAERN FC(F)(F)c1ccc2c(c1)CCO2 75882948 169073008 /nfs/dbraw/zinc/07/30/08/169073008.db2.gz VRRDUAFOEKDXPB-UHFFFAOYSA-N 0 0 188.148 2.640 10 0 AFAERN FC(F)(F)c1cncc2cc[nH]c12 89220890 169073058 /nfs/dbraw/zinc/07/30/58/169073058.db2.gz YDEAJQVUQVUKPU-UHFFFAOYSA-N 0 0 186.136 2.582 10 0 AFAERN FC(F)c1cnc(Cl)nc1Cl 95934291 169073556 /nfs/dbraw/zinc/07/35/56/169073556.db2.gz MHWMASHRIADZLN-UHFFFAOYSA-N 0 0 198.987 2.721 10 0 AFAERN FC(F)c1cccc2n[nH]cc12 44831910 169073716 /nfs/dbraw/zinc/07/37/16/169073716.db2.gz JXQVQFNYPOTSTF-UHFFFAOYSA-N 0 0 168.146 2.501 10 0 AFAERN FC(F)c1csc(NC2CC2)n1 306924617 169073895 /nfs/dbraw/zinc/07/38/95/169073895.db2.gz JXUYTICZMUJHGT-UHFFFAOYSA-N 0 0 190.218 2.655 10 0 AFAERN FC(F)c1ccc2c[nH]nc2c1 44831916 169074092 /nfs/dbraw/zinc/07/40/92/169074092.db2.gz SCHQFFFUHXWGSH-UHFFFAOYSA-N 0 0 168.146 2.501 10 0 AFAERN FC(F)CN[C@@H]1CCc2ccccc21 37755931 169074139 /nfs/dbraw/zinc/07/41/39/169074139.db2.gz FMNIQNHFMBVPDG-SNVBAGLBSA-N 0 0 197.228 2.529 10 0 AFAERN FC(F)Oc1ccc2ncccc2c1 41206923 169074165 /nfs/dbraw/zinc/07/41/65/169074165.db2.gz VBLFZYKWXVHOFI-UHFFFAOYSA-N 0 0 195.168 2.836 10 0 AFAERN FC(F)c1ccc2[nH]ccc2n1 89220929 169074222 /nfs/dbraw/zinc/07/42/22/169074222.db2.gz KDRGYMSQEYEZGD-UHFFFAOYSA-N 0 0 168.146 2.501 10 0 AFAERN FC(F)CN[C@H]1CCc2ccccc21 37755930 169074268 /nfs/dbraw/zinc/07/42/68/169074268.db2.gz FMNIQNHFMBVPDG-JTQLQIEISA-N 0 0 197.228 2.529 10 0 AFAERN FC(F)CNCCC1=CCCCC1 51756302 169074290 /nfs/dbraw/zinc/07/42/90/169074290.db2.gz QYRGAYPDEGIBRE-UHFFFAOYSA-N 0 0 189.249 2.732 10 0 AFAERN FC(F)Oc1ccc2c(c1)CCC2 41202561 169074828 /nfs/dbraw/zinc/07/48/28/169074828.db2.gz XQPMOIPXSBTDLY-UHFFFAOYSA-N 0 0 184.185 2.777 10 0 AFAERN FC(F)CNc1ccc2c(c1)CCC2 37755754 169074915 /nfs/dbraw/zinc/07/49/15/169074915.db2.gz ZNHLIZBZUQRBMS-UHFFFAOYSA-N 0 0 197.228 2.852 10 0 AFAERN FC(F)c1ccc2n[nH]cc2c1 44831913 169074949 /nfs/dbraw/zinc/07/49/49/169074949.db2.gz HJUVKQYEKHEJJV-UHFFFAOYSA-N 0 0 168.146 2.501 10 0 AFAERN FC1(F)C=C1c1ccccc1 95922978 169074980 /nfs/dbraw/zinc/07/49/80/169074980.db2.gz FKPIRBZASXPNCD-UHFFFAOYSA-N 0 0 152.143 2.719 10 0 AFAERN FC(F)c1ccnc2cc[nH]c12 89221121 169075061 /nfs/dbraw/zinc/07/50/61/169075061.db2.gz ZPCCWTNWVXDONN-UHFFFAOYSA-N 0 0 168.146 2.501 10 0 AFAERN FC(F)c1cnc2cc[nH]c2c1 89221023 169075064 /nfs/dbraw/zinc/07/50/64/169075064.db2.gz WDXCGTMPTMQKRK-UHFFFAOYSA-N 0 0 168.146 2.501 10 0 AFAERN FC(F)c1cccc2c[nH]nc12 44831919 169075135 /nfs/dbraw/zinc/07/51/35/169075135.db2.gz PNONXQVUKSQIHV-UHFFFAOYSA-N 0 0 168.146 2.501 10 0 AFAERN FC1(F)CCc2ccccc2O1 139772606 169075468 /nfs/dbraw/zinc/07/54/68/169075468.db2.gz ICCGDOXSRPJAQR-UHFFFAOYSA-N 0 0 170.158 2.604 10 0 AFAERN FC1=CSC(F)=CC=C1 39088287 169075643 /nfs/dbraw/zinc/07/56/43/169075643.db2.gz YMSWKXRBAJNXBM-UHFFFAOYSA-N 0 0 146.161 2.911 10 0 AFAERN FC1=C(F)C(F)(F)C(F)=C1F 2560327 169075687 /nfs/dbraw/zinc/07/56/87/169075687.db2.gz BDTKCOREDQRWGK-UHFFFAOYSA-N 0 0 174.043 2.937 10 0 AFAERN FC1=CC=CSC(F)=C1 39088284 169076305 /nfs/dbraw/zinc/07/63/05/169076305.db2.gz PPEOJVOIGKYIMH-UHFFFAOYSA-N 0 0 146.161 2.911 10 0 AFAERN FC1=CSC=CC(F)=C1 39088286 169076502 /nfs/dbraw/zinc/07/65/02/169076502.db2.gz FWRZTBSPJSHXGV-UHFFFAOYSA-N 0 0 146.161 2.911 10 0 AFAERN FC1=CC=C(F)SC=C1 39088285 169076736 /nfs/dbraw/zinc/07/67/36/169076736.db2.gz GLGWQFUDTUMSKQ-UHFFFAOYSA-N 0 0 146.161 2.911 10 0 AFAERN FC1=CC=CC=C(F)S1 39088288 169076969 /nfs/dbraw/zinc/07/69/69/169076969.db2.gz NJEDFGJEVWWQJQ-UHFFFAOYSA-N 0 0 146.161 2.911 10 0 AFAERN FCCNc1nc2ccccc2s1 307076432 169077734 /nfs/dbraw/zinc/07/77/34/169077734.db2.gz CUKNAOVNWRZOKN-UHFFFAOYSA-N 0 0 196.250 2.678 10 0 AFAERN FCCNc1ccnc2ccsc12 306410039 169078503 /nfs/dbraw/zinc/07/85/03/169078503.db2.gz JGEGDSTVQGOOCP-UHFFFAOYSA-N 0 0 196.250 2.678 10 0 AFAERN FCCCCCCCF 2031411 169078517 /nfs/dbraw/zinc/07/85/17/169078517.db2.gz ZWXJTBZOZHXIAY-UHFFFAOYSA-N 0 0 136.185 2.876 10 0 AFAERN FCCOc1ccccc1Cl 34626143 169078644 /nfs/dbraw/zinc/07/86/44/169078644.db2.gz CBKFDEUJJHDPNJ-UHFFFAOYSA-N 0 0 174.602 2.688 10 0 AFAERN FCCNc1ccc2ccccc2n1 307422417 169078951 /nfs/dbraw/zinc/07/89/51/169078951.db2.gz OPXKJTODIJOCLL-UHFFFAOYSA-N 0 0 190.221 2.616 10 0 AFAERN FCC(=C(F)F)C(F)(F)F 56958828 169079127 /nfs/dbraw/zinc/07/91/27/169079127.db2.gz ZOGUJMXLOXUYAP-UHFFFAOYSA-N 0 0 164.048 2.669 10 0 AFAERN FCOc1ccc2[nH]c(=S)[nH]c2c1 198788878 169079389 /nfs/dbraw/zinc/07/93/89/169079389.db2.gz LAAIXPJSLSXXIO-UHFFFAOYSA-N 0 0 198.222 2.531 10 0 AFAERN FCc1ccnc2ccccc12 107263096 169079743 /nfs/dbraw/zinc/07/97/43/169079743.db2.gz KLCRGXHUWRWVBV-UHFFFAOYSA-N 0 0 161.179 2.704 10 0 AFAERN FCc1ccc(Cl)cc1 95933022 169079866 /nfs/dbraw/zinc/07/98/66/169079866.db2.gz XAWFFDQTYJUPQT-UHFFFAOYSA-N 0 0 144.576 2.810 10 0 AFAERN FCc1nc2ccccc2s1 3227264 169079974 /nfs/dbraw/zinc/07/99/74/169079974.db2.gz XOCGJJLRMWWZSC-UHFFFAOYSA-N 0 0 167.208 2.766 10 0 AFAERN FCc1cccc(Cl)c1 137734006 169080030 /nfs/dbraw/zinc/08/00/30/169080030.db2.gz RGNDVXXAKWGNTH-UHFFFAOYSA-N 0 0 144.576 2.810 10 0 AFAERN Fc1cc(F)cc(NC2CC2)c1 82710787 169081121 /nfs/dbraw/zinc/08/11/21/169081121.db2.gz ZBSYWQFSAXGDBQ-UHFFFAOYSA-N 0 0 169.174 2.539 10 0 AFAERN Fc1ccc(-c2nc(Cl)no2)cc1 95774170 169081168 /nfs/dbraw/zinc/08/11/68/169081168.db2.gz DEMJIXVLBBPEQA-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Fc1ccc(-c2nnco2)c(Cl)c1 40350652 169081211 /nfs/dbraw/zinc/08/12/11/169081211.db2.gz PWMBUEFPDORDGW-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Fc1ccc(C=Cc2cc[nH]n2)cc1 72416871 169081254 /nfs/dbraw/zinc/08/12/54/169081254.db2.gz SEBVFZBPCHYAJE-ZZXKWVIFSA-N 0 0 188.205 2.719 10 0 AFAERN Fc1cc2nc(C3CC3)[nH]c2cc1F 48356752 169081268 /nfs/dbraw/zinc/08/12/68/169081268.db2.gz JBWSQVLDQNISEA-UHFFFAOYSA-N 0 0 194.184 2.719 10 0 AFAERN Fc1ccc(-c2n[nH]cc2Cl)cc1 42415101 169081489 /nfs/dbraw/zinc/08/14/89/169081489.db2.gz RAUFVLIKVUWLIR-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN Fc1cc(F)cc(NCC(F)F)c1 37755803 169081616 /nfs/dbraw/zinc/08/16/16/169081616.db2.gz YCEFRJFTTKWBDF-UHFFFAOYSA-N 0 0 193.143 2.642 10 0 AFAERN Fc1ccc(-c2nnc(Cl)o2)cc1 71507756 169081693 /nfs/dbraw/zinc/08/16/93/169081693.db2.gz YKRQNSHMXVZVRK-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Fc1ccc(-c2cc[nH]c2)cc1 39261406 169081755 /nfs/dbraw/zinc/08/17/55/169081755.db2.gz DDMZYAVIANBIBY-UHFFFAOYSA-N 0 0 161.179 2.821 10 0 AFAERN Fc1ccc(-c2ccns2)cc1 96327344 169081828 /nfs/dbraw/zinc/08/18/28/169081828.db2.gz BTBUOLSTHUUBOS-UHFFFAOYSA-N 0 0 179.219 2.949 10 0 AFAERN Fc1ccc(-n2cccc2)c(F)c1F 35120095 169081874 /nfs/dbraw/zinc/08/18/74/169081874.db2.gz XGOPFLMXAIBAOA-UHFFFAOYSA-N 0 0 197.159 2.895 10 0 AFAERN Fc1cc2[nH]c3c(c2cc1F)CCC3 39112341 169081878 /nfs/dbraw/zinc/08/18/78/169081878.db2.gz UTYDLBBYIZPETR-UHFFFAOYSA-N 0 0 193.196 2.935 10 0 AFAERN Fc1cc2nc(C3CC3)oc2cc1F 62521979 169081965 /nfs/dbraw/zinc/08/19/65/169081965.db2.gz ITARBWUTJNDMPP-UHFFFAOYSA-N 0 0 195.168 2.983 10 0 AFAERN Fc1cc[nH]c1-c1ccccc1 38220365 169082020 /nfs/dbraw/zinc/08/20/20/169082020.db2.gz FXICUQBWAMKUBC-UHFFFAOYSA-N 0 0 161.179 2.821 10 0 AFAERN Fc1ccc(-c2ncc[nH]2)cc1Cl 62792741 169082098 /nfs/dbraw/zinc/08/20/98/169082098.db2.gz SMUSVDCCKGPREI-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN Fc1ccc(-c2ncon2)cc1Cl 96102549 169082107 /nfs/dbraw/zinc/08/21/07/169082107.db2.gz MBGJSTSKTKXNIR-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Fc1cc2occc2c(F)c1F 75926939 169082269 /nfs/dbraw/zinc/08/22/69/169082269.db2.gz OHIOASMKJMZASA-UHFFFAOYSA-N 0 0 172.105 2.850 10 0 AFAERN Fc1ccc(-n2cccc2)cc1F 35120104 169082305 /nfs/dbraw/zinc/08/23/05/169082305.db2.gz UQXTXQPXAGQISK-UHFFFAOYSA-N 0 0 179.169 2.756 10 0 AFAERN Fc1ccc(F)c(NCC(F)F)c1 37755727 169082433 /nfs/dbraw/zinc/08/24/33/169082433.db2.gz IHQCOANIBSQHJI-UHFFFAOYSA-N 0 0 193.143 2.642 10 0 AFAERN Fc1ccc(F)c([C@@H]2CCCO2)c1 49805894 169082454 /nfs/dbraw/zinc/08/24/54/169082454.db2.gz HPIVGXUHPQDFKF-JTQLQIEISA-N 0 0 184.185 2.816 10 0 AFAERN Fc1ccc(Cn2cccc2)cc1 34499707 169082464 /nfs/dbraw/zinc/08/24/64/169082464.db2.gz WJQQDEBEHWTSEC-UHFFFAOYSA-N 0 0 175.206 2.676 10 0 AFAERN Fc1ccc(Cl)cc1-c1ncc[nH]1 75898998 169082586 /nfs/dbraw/zinc/08/25/86/169082586.db2.gz BYUPONZOLJCBFK-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN Fc1ccc(F)c(N2CCCC2)c1 82712920 169082828 /nfs/dbraw/zinc/08/28/28/169082828.db2.gz KKINKVHABSMTEH-UHFFFAOYSA-N 0 0 183.201 2.565 10 0 AFAERN Fc1ccc(Cl)cc1[C@@H]1CO1 82529262 169082872 /nfs/dbraw/zinc/08/28/72/169082872.db2.gz VBHLXTMCWKNCDD-QMMMGPOBSA-N 0 0 172.586 2.550 10 0 AFAERN Fc1ccc(NCc2ccc[nH]2)cc1 51787984 169082907 /nfs/dbraw/zinc/08/29/07/169082907.db2.gz GAEZGLGHWRAYPI-UHFFFAOYSA-N 0 0 190.221 2.766 10 0 AFAERN Fc1ccc(OC/C=C/Cl)cc1 41393156 169082932 /nfs/dbraw/zinc/08/29/32/169082932.db2.gz IYKQBFSXCXFJCI-LZCJLJQNSA-N 0 0 186.613 2.957 10 0 AFAERN Fc1ccc(Cc2ccc[nH]2)cc1 114516202 169082979 /nfs/dbraw/zinc/08/29/79/169082979.db2.gz PPLZSUIKHVZWPF-UHFFFAOYSA-N 0 0 175.206 2.745 10 0 AFAERN Fc1ccc(N2CCCC2)cc1F 82712922 169083036 /nfs/dbraw/zinc/08/30/36/169083036.db2.gz IQKKKJXRBDUIBP-UHFFFAOYSA-N 0 0 183.201 2.565 10 0 AFAERN Fc1ccc(NC2CC2)c(F)c1F 2572505 169083052 /nfs/dbraw/zinc/08/30/52/169083052.db2.gz VXAYENXMTPUJDG-UHFFFAOYSA-N 0 0 187.164 2.678 10 0 AFAERN Fc1ccc(Cl)cc1[C@H]1CO1 82529263 169083058 /nfs/dbraw/zinc/08/30/58/169083058.db2.gz VBHLXTMCWKNCDD-MRVPVSSYSA-N 0 0 172.586 2.550 10 0 AFAERN Fc1ccc(NC2CC2)cc1F 82710788 169083076 /nfs/dbraw/zinc/08/30/76/169083076.db2.gz BUDVTPDGULMACY-UHFFFAOYSA-N 0 0 169.174 2.539 10 0 AFAERN Fc1ccc(F)c(-n2cccc2)c1 1519658 169083081 /nfs/dbraw/zinc/08/30/81/169083081.db2.gz HYQPJXOHMPYAIQ-UHFFFAOYSA-N 0 0 179.169 2.756 10 0 AFAERN Fc1ccc(F)c(NC2CC2)c1 82710786 169083094 /nfs/dbraw/zinc/08/30/94/169083094.db2.gz ZLDNBEZHGHOYNR-UHFFFAOYSA-N 0 0 169.174 2.539 10 0 AFAERN Fc1ccc(N(F)F)c(F)c1F 71617316 169083260 /nfs/dbraw/zinc/08/32/60/169083260.db2.gz JHFFDCUKJCATBU-UHFFFAOYSA-N 0 0 183.079 2.679 10 0 AFAERN Fc1ccc(NCC(F)F)c(F)c1 37755791 169083304 /nfs/dbraw/zinc/08/33/04/169083304.db2.gz ATVFNDVSDZDMLG-UHFFFAOYSA-N 0 0 193.143 2.642 10 0 AFAERN Fc1ccc(NCC(F)F)cc1F 37755768 169083354 /nfs/dbraw/zinc/08/33/54/169083354.db2.gz XFRJXTVLVKXZFP-UHFFFAOYSA-N 0 0 193.143 2.642 10 0 AFAERN Fc1ccc(NCC2CC2)c(F)c1 37118308 169083448 /nfs/dbraw/zinc/08/34/48/169083448.db2.gz ZWMWYUWXRFCVHU-UHFFFAOYSA-N 0 0 183.201 2.787 10 0 AFAERN Fc1ccc(F)c([C@H]2CCCO2)c1 49805895 169083523 /nfs/dbraw/zinc/08/35/23/169083523.db2.gz HPIVGXUHPQDFKF-SNVBAGLBSA-N 0 0 184.185 2.816 10 0 AFAERN Fc1ccc(Nc2cccnc2)cc1 82714515 169083531 /nfs/dbraw/zinc/08/35/31/169083531.db2.gz IENFHLHQQOGUBK-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN Fc1ccc(Cl)cc1-c1nnco1 40350644 169083560 /nfs/dbraw/zinc/08/35/60/169083560.db2.gz QNDPKYQVUKWMMA-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Fc1ccc(NC2CC2)c(F)c1 82710789 169083789 /nfs/dbraw/zinc/08/37/89/169083789.db2.gz RIDHDCOBTSXPFS-UHFFFAOYSA-N 0 0 169.174 2.539 10 0 AFAERN Fc1ccc(OCC(F)(F)F)cc1 70234639 169083802 /nfs/dbraw/zinc/08/38/02/169083802.db2.gz QYXUKVGMIRLQGD-UHFFFAOYSA-N 0 0 194.127 2.767 10 0 AFAERN Fc1ccc2c(c1)NCc1cccn1-2 49454276 169083932 /nfs/dbraw/zinc/08/39/32/169083932.db2.gz IMPGCBFQAVGHJO-UHFFFAOYSA-N 0 0 188.205 2.542 10 0 AFAERN Fc1ccc([C@H]2CCCO2)cc1F 49805897 169083950 /nfs/dbraw/zinc/08/39/50/169083950.db2.gz XNOIFRKHYWSPSO-SNVBAGLBSA-N 0 0 184.185 2.816 10 0 AFAERN Fc1ccc2nc(F)sc2c1 45237886 169083983 /nfs/dbraw/zinc/08/39/83/169083983.db2.gz AAVXQQLYSHGIRQ-UHFFFAOYSA-N 0 0 171.171 2.575 10 0 AFAERN Fc1ccc2ncn(C3CC3)c2c1 75935109 169084130 /nfs/dbraw/zinc/08/41/30/169084130.db2.gz ZCYBEKZRYOUYTC-UHFFFAOYSA-N 0 0 176.194 2.510 10 0 AFAERN Fc1ccc2c(c1)C(F)(F)CC2 66330602 169084155 /nfs/dbraw/zinc/08/41/55/169084155.db2.gz PKSOJHHOUGVECS-UHFFFAOYSA-N 0 0 172.149 2.864 10 0 AFAERN Fc1ccc([C@@H]2NCCCS2)cc1 6093228 169084341 /nfs/dbraw/zinc/08/43/41/169084341.db2.gz FBTSRHZVKLIAEQ-SNVBAGLBSA-N 0 0 197.278 2.551 10 0 AFAERN Fc1ccc([C@@H]2CCCO2)cc1 34336889 169084347 /nfs/dbraw/zinc/08/43/47/169084347.db2.gz DWTULHDUHCOBMT-JTQLQIEISA-N 0 0 166.195 2.677 10 0 AFAERN Fc1ccc2ncccc2c1F 33639601 169084487 /nfs/dbraw/zinc/08/44/87/169084487.db2.gz NKWCTWMIROYAIF-UHFFFAOYSA-N 0 0 165.142 2.513 10 0 AFAERN Fc1ccc2[nH]c(=S)[nH]c2c1F 75952236 169084504 /nfs/dbraw/zinc/08/45/04/169084504.db2.gz OMIARAFJXQEKJD-UHFFFAOYSA-N 0 0 186.186 2.504 10 0 AFAERN Fc1ccc([C@@H]2CO2)cc1Cl 20078307 169084594 /nfs/dbraw/zinc/08/45/94/169084594.db2.gz VUAQOERANOXMJB-QMMMGPOBSA-N 0 0 172.586 2.550 10 0 AFAERN Fc1ccc2c(c1)CC[C@@H](C1CC1)O2 40434658 169084639 /nfs/dbraw/zinc/08/46/39/169084639.db2.gz OSQNTISRBPDELS-NSHDSACASA-N 0 0 192.233 2.929 10 0 AFAERN Fc1ccc([C@@H]2CCCO2)cc1F 49805896 169084672 /nfs/dbraw/zinc/08/46/72/169084672.db2.gz XNOIFRKHYWSPSO-JTQLQIEISA-N 0 0 184.185 2.816 10 0 AFAERN Fc1ccc2c(c1)CC[C@H](C1CC1)O2 40434656 169084705 /nfs/dbraw/zinc/08/47/05/169084705.db2.gz OSQNTISRBPDELS-LLVKDONJSA-N 0 0 192.233 2.929 10 0 AFAERN Fc1ccc([C@@H]2OCCCS2)cc1 2385341 169084709 /nfs/dbraw/zinc/08/47/09/169084709.db2.gz YJJHGRMEIJLYEA-SNVBAGLBSA-N 0 0 198.262 2.978 10 0 AFAERN Fc1ccc2ccncc2c1F 39088222 169084734 /nfs/dbraw/zinc/08/47/34/169084734.db2.gz RKFHCLHWWUXRGG-UHFFFAOYSA-N 0 0 165.142 2.513 10 0 AFAERN Fc1ccc2c(c1)ncn2C1CC1 75935110 169084761 /nfs/dbraw/zinc/08/47/61/169084761.db2.gz IWWVOQWLHXXVNP-UHFFFAOYSA-N 0 0 176.194 2.510 10 0 AFAERN Fc1ccc2c(C3CC3)[nH]nc2c1F 75883996 169084771 /nfs/dbraw/zinc/08/47/71/169084771.db2.gz RPECTMKJVXYYOC-UHFFFAOYSA-N 0 0 194.184 2.719 10 0 AFAERN Fc1ccc([C@H]2CO2)cc1Cl 20078309 169084901 /nfs/dbraw/zinc/08/49/01/169084901.db2.gz VUAQOERANOXMJB-MRVPVSSYSA-N 0 0 172.586 2.550 10 0 AFAERN Fc1ccc([C@H]2CCCO2)cc1 34336891 169084930 /nfs/dbraw/zinc/08/49/30/169084930.db2.gz DWTULHDUHCOBMT-SNVBAGLBSA-N 0 0 166.195 2.677 10 0 AFAERN Fc1ccc([C@H]2OCCCS2)cc1 5770009 169084945 /nfs/dbraw/zinc/08/49/45/169084945.db2.gz YJJHGRMEIJLYEA-JTQLQIEISA-N 0 0 198.262 2.978 10 0 AFAERN Fc1ccc2c(c1)CCCCN2 19795741 169084956 /nfs/dbraw/zinc/08/49/56/169084956.db2.gz XRDKAKFFNLRECK-UHFFFAOYSA-N 0 0 165.211 2.574 10 0 AFAERN Fc1ccc2[nH]c(C3CC3)nc2c1F 75974241 169085200 /nfs/dbraw/zinc/08/52/00/169085200.db2.gz KYJSGHGTVSZPLK-UHFFFAOYSA-N 0 0 194.184 2.719 10 0 AFAERN Fc1cccc(OC2CCCCC2)n1 40711305 169085384 /nfs/dbraw/zinc/08/53/84/169085384.db2.gz PFTRREXIGVCJCD-UHFFFAOYSA-N 0 0 195.237 2.932 10 0 AFAERN Fc1cccc(NC2CCC2)c1F 44481867 169085420 /nfs/dbraw/zinc/08/54/20/169085420.db2.gz GXRKYWDHFQOYMT-UHFFFAOYSA-N 0 0 183.201 2.929 10 0 AFAERN Fc1cccc(-c2n[nH]cc2Cl)c1 42415094 169085444 /nfs/dbraw/zinc/08/54/44/169085444.db2.gz NITKSNDLNZVWTE-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN Fc1cccc(Nc2cc[nH+]cc2)c1 60019996 169085504 /nfs/dbraw/zinc/08/55/04/169085504.db2.gz HDMPTQLOGALKJL-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN Fc1cccc(NCC(F)F)c1 37755772 169085582 /nfs/dbraw/zinc/08/55/82/169085582.db2.gz JYOFNVLAXWTXCV-UHFFFAOYSA-N 0 0 175.153 2.503 10 0 AFAERN Fc1cccc(Cl)c1-c1cn[nH]c1 49811670 169085625 /nfs/dbraw/zinc/08/56/25/169085625.db2.gz YLPIWWVYJWRVKS-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN Fc1cccc(Nc2ccccn2)c1 82714470 169085703 /nfs/dbraw/zinc/08/57/03/169085703.db2.gz CEEVFEYBASJQHU-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN Fc1cccc(Cl)c1[C@H]1CO1 19730663 169085770 /nfs/dbraw/zinc/08/57/70/169085770.db2.gz ZCNZMWKZVCTDEH-SSDOTTSWSA-N 0 0 172.586 2.550 10 0 AFAERN Fc1cccc(Cn2cccc2)c1 35651211 169085772 /nfs/dbraw/zinc/08/57/72/169085772.db2.gz LMSUQHQGEJCEHN-UHFFFAOYSA-N 0 0 175.206 2.676 10 0 AFAERN Fc1cccc(NCc2ccc[nH]2)c1 51787972 169085807 /nfs/dbraw/zinc/08/58/07/169085807.db2.gz OWANHBMKCGCYTI-UHFFFAOYSA-N 0 0 190.221 2.766 10 0 AFAERN Fc1cccc(NCC(F)F)c1F 40230751 169085872 /nfs/dbraw/zinc/08/58/72/169085872.db2.gz RTNRIXLLEIVOSH-UHFFFAOYSA-N 0 0 193.143 2.642 10 0 AFAERN Fc1cccc(CCn2cccc2)c1 35149387 169086000 /nfs/dbraw/zinc/08/60/00/169086000.db2.gz IEQYEGHRSQUPMS-UHFFFAOYSA-N 0 0 189.233 2.870 10 0 AFAERN Fc1cccc(-c2nc(Cl)c[nH]2)c1 95756957 169086036 /nfs/dbraw/zinc/08/60/36/169086036.db2.gz PFSXYVZVWRMXFA-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN Fc1cccc(N(F)N(F)F)c1F 71622091 169086123 /nfs/dbraw/zinc/08/61/23/169086123.db2.gz NQPQKMLJFFXJKA-UHFFFAOYSA-N 0 0 198.094 2.642 10 0 AFAERN Fc1ccc2oc(C3CC3)nc2c1 62519538 169086350 /nfs/dbraw/zinc/08/63/50/169086350.db2.gz BIJSBCUSKRWASV-UHFFFAOYSA-N 0 0 177.178 2.844 10 0 AFAERN Fc1cccc(-c2nc(Cl)no2)c1 95774178 169086370 /nfs/dbraw/zinc/08/63/70/169086370.db2.gz WJGZVGPDOQUEIL-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Fc1cccc(-c2noc(Cl)n2)c1 37926780 169086372 /nfs/dbraw/zinc/08/63/72/169086372.db2.gz VYWANNXVDKDSBD-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Fc1cccc(-c2c[nH]c(=S)[nH]2)c1 83823680 169086444 /nfs/dbraw/zinc/08/64/44/169086444.db2.gz YWOCXBUWMQILPA-UHFFFAOYSA-N 0 0 194.234 2.878 10 0 AFAERN Fc1cccc(-c2nnc(Cl)o2)c1 71507755 169086479 /nfs/dbraw/zinc/08/64/79/169086479.db2.gz MSMUBFIIXMHMAU-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Fc1cccc(Nc2cccnc2)c1 82714517 169086604 /nfs/dbraw/zinc/08/66/04/169086604.db2.gz WPMKQVBANVWUHI-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN Fc1cccc(OCC(F)(F)F)c1 70234301 169086609 /nfs/dbraw/zinc/08/66/09/169086609.db2.gz FFDKHEDGBGJRBR-UHFFFAOYSA-N 0 0 194.127 2.767 10 0 AFAERN Fc1cccc(OC2CCCC2)n1 40711306 169086621 /nfs/dbraw/zinc/08/66/21/169086621.db2.gz HPVFTZCFQSFSJF-UHFFFAOYSA-N 0 0 181.210 2.542 10 0 AFAERN Fc1cccc(Cl)c1-c1ncc[nH]1 41207432 169086653 /nfs/dbraw/zinc/08/66/53/169086653.db2.gz RRMUPEKFWYQKTM-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN Fc1cccc(Cl)c1[C@@H]1CO1 19730661 169086669 /nfs/dbraw/zinc/08/66/69/169086669.db2.gz ZCNZMWKZVCTDEH-ZETCQYMHSA-N 0 0 172.586 2.550 10 0 AFAERN Fc1cccc(F)c1NCC(F)F 37755842 169086778 /nfs/dbraw/zinc/08/67/78/169086778.db2.gz UOYKCJZAQGMHJG-UHFFFAOYSA-N 0 0 193.143 2.642 10 0 AFAERN Fc1cccc(Nc2ccccc2)n1 40711663 169086857 /nfs/dbraw/zinc/08/68/57/169086857.db2.gz AQOJCSDFNJCNOA-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN Fc1cccc2c1C1(CCN2)CC1 95933130 169087495 /nfs/dbraw/zinc/08/74/95/169087495.db2.gz QHIGBHSCUQWDMF-UHFFFAOYSA-N 0 0 177.222 2.673 10 0 AFAERN Fc1ccccc1Cn1cccc1 34287414 169087510 /nfs/dbraw/zinc/08/75/10/169087510.db2.gz BMEWLJMRNCDJMS-UHFFFAOYSA-N 0 0 175.206 2.676 10 0 AFAERN Fc1ccccc1Cc1ccncc1 148634385 169087548 /nfs/dbraw/zinc/08/75/48/169087548.db2.gz WYJKEFXVVDVHMB-UHFFFAOYSA-N 0 0 187.217 2.812 10 0 AFAERN Fc1ccccc1-c1cccnc1 39439088 169087562 /nfs/dbraw/zinc/08/75/62/169087562.db2.gz OFVMMLBVGWZEHK-UHFFFAOYSA-N 0 0 173.190 2.888 10 0 AFAERN Fc1cccc2[nH]c(C3CC3)nc12 70235051 169087565 /nfs/dbraw/zinc/08/75/65/169087565.db2.gz DEZIBDYXAXQKAH-UHFFFAOYSA-N 0 0 176.194 2.579 10 0 AFAERN Fc1cccc2oc(NC3CC3)nc12 306965457 169087585 /nfs/dbraw/zinc/08/75/85/169087585.db2.gz NPZGUDZKZYNOQH-UHFFFAOYSA-N 0 0 192.193 2.541 10 0 AFAERN Fc1cccc2nc(C3CC3)oc12 62519542 169087634 /nfs/dbraw/zinc/08/76/34/169087634.db2.gz ICPROYVLPBOFLX-UHFFFAOYSA-N 0 0 177.178 2.844 10 0 AFAERN Fc1cccc2[nH]c3c(c12)CCC3 299889380 169087671 /nfs/dbraw/zinc/08/76/71/169087671.db2.gz ILFIEUFYACXKIB-UHFFFAOYSA-N 0 0 175.206 2.796 10 0 AFAERN Fc1ccccc1Nc1ccccn1 39351746 169087770 /nfs/dbraw/zinc/08/77/70/169087770.db2.gz GQDLWVUYWFWODG-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN Fc1ccccc1-c1c[nH]c(=S)[nH]1 33610661 169087871 /nfs/dbraw/zinc/08/78/71/169087871.db2.gz COMZTUHLRQVPAK-UHFFFAOYSA-N 0 0 194.234 2.878 10 0 AFAERN Fc1ccccc1-n1cc[nH]c1=S 20581261 169087910 /nfs/dbraw/zinc/08/79/10/169087910.db2.gz WKAHVPPTDYUSRU-UHFFFAOYSA-N 0 0 194.234 2.674 10 0 AFAERN Fc1ccccc1Nc1cccnc1 82714516 169087942 /nfs/dbraw/zinc/08/79/42/169087942.db2.gz HDDSATWPKYKFMJ-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN Fc1ccccc1CCn1cccc1 35651192 169087999 /nfs/dbraw/zinc/08/79/99/169087999.db2.gz NOZDVJNLMOCRBB-UHFFFAOYSA-N 0 0 189.233 2.870 10 0 AFAERN Fc1ccccc1NCc1ccc[nH]1 51787988 169088106 /nfs/dbraw/zinc/08/81/06/169088106.db2.gz FJYJSYACTKHGRB-UHFFFAOYSA-N 0 0 190.221 2.766 10 0 AFAERN Fc1cccc2c1CCCCN2 19795737 169088134 /nfs/dbraw/zinc/08/81/34/169088134.db2.gz CXOKQQBGJXDFAX-UHFFFAOYSA-N 0 0 165.211 2.574 10 0 AFAERN Fc1ccccc1-c1n[nH]cc1Cl 42415100 169088288 /nfs/dbraw/zinc/08/82/88/169088288.db2.gz IVQMWMKFPQRHBG-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN Fc1cccc2c1CCCC2 115901673 169088296 /nfs/dbraw/zinc/08/82/96/169088296.db2.gz HSYLVNKVCLHAAY-UHFFFAOYSA-N 0 0 150.196 2.705 10 0 AFAERN Fc1cccc2c(=S)cc[nH]c12 40175662 169088298 /nfs/dbraw/zinc/08/82/98/169088298.db2.gz PWQFBSBPCBNMPR-UHFFFAOYSA-N 0 0 179.219 2.663 10 0 AFAERN Fc1ccccc1OCC(F)(F)F 39647921 169088387 /nfs/dbraw/zinc/08/83/87/169088387.db2.gz APHYOYDEYMBGQS-UHFFFAOYSA-N 0 0 194.127 2.767 10 0 AFAERN Fc1cccnc1SCC1CC1 336265720 169088889 /nfs/dbraw/zinc/08/88/89/169088889.db2.gz MAKNINSECWDDRI-UHFFFAOYSA-N 0 0 183.251 2.723 10 0 AFAERN Fc1ccnc(-c2ccccc2)c1 33369603 169089113 /nfs/dbraw/zinc/08/91/13/169089113.db2.gz RMRIGWGPQBBJME-UHFFFAOYSA-N 0 0 173.190 2.888 10 0 AFAERN Fc1cnc2cccc(F)c2c1 6093919 169089172 /nfs/dbraw/zinc/08/91/72/169089172.db2.gz FLPAHYRBIDJSAP-UHFFFAOYSA-N 0 0 165.142 2.513 10 0 AFAERN Fc1ccccc1[C@@H]1OCCCS1 2385332 169089244 /nfs/dbraw/zinc/08/92/44/169089244.db2.gz IQGUEIWTRAWSFK-SNVBAGLBSA-N 0 0 198.262 2.978 10 0 AFAERN Fc1cccnc1SC1CCC1 334662268 169089384 /nfs/dbraw/zinc/08/93/84/169089384.db2.gz YHXJLCDHQQFVEE-UHFFFAOYSA-N 0 0 183.251 2.865 10 0 AFAERN Fc1ccncc1-c1ccccc1 47207831 169089425 /nfs/dbraw/zinc/08/94/25/169089425.db2.gz JVXKGTURWVDNOW-UHFFFAOYSA-N 0 0 173.190 2.888 10 0 AFAERN Fc1ccn(-c2ccccc2)c1 39088907 169089482 /nfs/dbraw/zinc/08/94/82/169089482.db2.gz JCSGVDPWRKMFMD-UHFFFAOYSA-N 0 0 161.179 2.616 10 0 AFAERN Fc1cccnc1SCC(F)F 334808276 169089701 /nfs/dbraw/zinc/08/97/01/169089701.db2.gz TUDTXBGZUOLQBO-UHFFFAOYSA-N 0 0 193.193 2.578 10 0 AFAERN Fc1cccnc1-c1ccccc1 47207825 169089717 /nfs/dbraw/zinc/08/97/17/169089717.db2.gz VZZUYEUNFYZVPF-UHFFFAOYSA-N 0 0 173.190 2.888 10 0 AFAERN Fc1cnccc1-c1ccccc1 47207827 169089906 /nfs/dbraw/zinc/08/99/06/169089906.db2.gz SNUMTAFGKHDMDC-UHFFFAOYSA-N 0 0 173.190 2.888 10 0 AFAERN Fc1ccccc1[C@H]1OCCCS1 5772137 169089907 /nfs/dbraw/zinc/08/99/07/169089907.db2.gz IQGUEIWTRAWSFK-JTQLQIEISA-N 0 0 198.262 2.978 10 0 AFAERN Cc1nc(-c2cccnc2)ccc1F 47213494 168930341 /nfs/dbraw/zinc/93/03/41/168930341.db2.gz YTWUUORLKYUXFP-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1nc(=S)[nH]c2c1C[C@@H](C)CC2 62202955 168930601 /nfs/dbraw/zinc/93/06/01/168930601.db2.gz GYLIHIGJTZDMGJ-LURJTMIESA-N 0 0 194.303 2.572 10 0 AFAERN Cc1nc(-c2ccccc2)ccc1N 47207247 168931290 /nfs/dbraw/zinc/93/12/90/168931290.db2.gz HQOGYMUPUNEIKL-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1nc(-c2ccc(F)cc2)co1 39320799 168931318 /nfs/dbraw/zinc/93/13/18/168931318.db2.gz CVKAMPDUZHXBQR-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN Cc1nc(C)c(CCC(C)C)nc1C 32146761 168933177 /nfs/dbraw/zinc/93/31/77/168933177.db2.gz KYVXEZPQRULTLX-UHFFFAOYSA-N 0 0 192.306 2.990 10 0 AFAERN N#CNc1cc(Cl)cc(Cl)c1 52832117 169106941 /nfs/dbraw/zinc/10/69/41/169106941.db2.gz JPFXHMSSRJRACX-UHFFFAOYSA-N 0 0 187.029 2.886 10 0 AFAERN N#CNc1ccc(Cl)c(Cl)c1 32222918 169106948 /nfs/dbraw/zinc/10/69/48/169106948.db2.gz VGQKZVPHFLOGTN-UHFFFAOYSA-N 0 0 187.029 2.886 10 0 AFAERN N#CNc1cccc2ccccc12 39203590 169107069 /nfs/dbraw/zinc/10/70/69/169107069.db2.gz SYNRNTWNYBCYHF-UHFFFAOYSA-N 0 0 168.199 2.733 10 0 AFAERN N#CNc1cc(Cl)ccc1Cl 39185269 169107113 /nfs/dbraw/zinc/10/71/13/169107113.db2.gz RKVTZVIGKJYDTG-UHFFFAOYSA-N 0 0 187.029 2.886 10 0 AFAERN N#CNc1ccc(Cl)cc1Cl 36372657 169107128 /nfs/dbraw/zinc/10/71/28/169107128.db2.gz RZGDVHQHQOQPMG-UHFFFAOYSA-N 0 0 187.029 2.886 10 0 AFAERN NC(=O)[C@H]1CCCC[C@@H]1C1CC1 335507941 169142394 /nfs/dbraw/zinc/14/23/94/169142394.db2.gz RQLZPADHWGLLAO-BDAKNGLRSA-N 0 0 167.252 2.738 10 0 AFAERN NC(=O)c1coc(C2CCCCC2)n1 335050547 169143038 /nfs/dbraw/zinc/14/30/38/169143038.db2.gz CKCOVASETKCPFM-UHFFFAOYSA-N 0 0 194.234 2.606 10 0 AFAERN NC(=O)[C@H]1CCCC[C@H]1C1CC1 335507943 169143049 /nfs/dbraw/zinc/14/30/49/169143049.db2.gz RQLZPADHWGLLAO-IUCAKERBSA-N 0 0 167.252 2.738 10 0 AFAERN NC(=O)[C@@H]1CCCC[C@H]1C1CC1 335507942 169143104 /nfs/dbraw/zinc/14/31/04/169143104.db2.gz RQLZPADHWGLLAO-DTWKUNHWSA-N 0 0 167.252 2.738 10 0 AFAERN N=C(Nc1ccccc1)c1ccco1 34449780 169143183 /nfs/dbraw/zinc/14/31/83/169143183.db2.gz IKADXDQDFFDINH-UHFFFAOYSA-N 0 0 186.214 2.717 10 0 AFAERN NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 335507944 169143388 /nfs/dbraw/zinc/14/33/88/169143388.db2.gz RQLZPADHWGLLAO-RKDXNWHRSA-N 0 0 167.252 2.738 10 0 AFAERN N=COc1ccc(Cl)cc1Cl 39090369 169144009 /nfs/dbraw/zinc/14/40/09/169144009.db2.gz WZVBTUVYHLWVLP-UHFFFAOYSA-N 0 0 190.029 2.979 10 0 AFAERN N=C1CCCN1c1c(F)cccc1F 20476433 169144852 /nfs/dbraw/zinc/14/48/52/169144852.db2.gz CFXRPVAYSGYBSE-UHFFFAOYSA-N 0 0 196.200 2.542 10 0 AFAERN N=C1CCCN1c1cccc(F)c1F 40230872 169144951 /nfs/dbraw/zinc/14/49/51/169144951.db2.gz UCAVEFCBGFRERS-UHFFFAOYSA-N 0 0 196.200 2.542 10 0 AFAERN N=C1CCCN1c1cc(F)ccc1F 20443978 169145301 /nfs/dbraw/zinc/14/53/01/169145301.db2.gz DXBYCVDGGDJWQW-UHFFFAOYSA-N 0 0 196.200 2.542 10 0 AFAERN NC(=S)c1cc2ccccc2s1 83342001 169166295 /nfs/dbraw/zinc/16/62/95/169166295.db2.gz QWXAFXPZJRYYSF-UHFFFAOYSA-N 0 0 193.296 2.536 10 0 AFAERN NN(C1CCCCC1)C1CCCCC1 19171330 169233232 /nfs/dbraw/zinc/23/32/32/169233232.db2.gz PBRXFVDZNHKOBY-UHFFFAOYSA-N 0 0 196.338 2.828 10 0 AFAERN NNc1ccc(-c2ccccc2)s1 36224458 169237283 /nfs/dbraw/zinc/23/72/83/169237283.db2.gz REWFRADGWJCRDB-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN NNc1cc(-c2ccccc2)cs1 36224419 169237630 /nfs/dbraw/zinc/23/76/30/169237630.db2.gz GSNYUAYQWBWKEE-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN NNc1ccc(Cc2ccccc2)cc1 95934436 169237902 /nfs/dbraw/zinc/23/79/02/169237902.db2.gz FRPRUNJFRGMFQW-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN NNc1cc(-c2cccs2)cs1 36224428 169238013 /nfs/dbraw/zinc/23/80/13/169238013.db2.gz NYTGPRVSBDFZIR-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN NNc1cccc(Cc2ccccc2)c1 90613196 169238981 /nfs/dbraw/zinc/23/89/81/169238981.db2.gz MQIIVMZUMXCMCT-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN NOC(c1ccccc1)c1ccccc1 3643034 169239489 /nfs/dbraw/zinc/23/94/89/169239489.db2.gz VHARROAGRCLEDM-UHFFFAOYSA-N 0 0 199.253 2.666 10 0 AFAERN NOc1ccccc1-c1ccccc1 38283277 169240775 /nfs/dbraw/zinc/24/07/75/169240775.db2.gz IQMVFUWEIKAIFF-UHFFFAOYSA-N 0 0 185.226 2.606 10 0 AFAERN NOc1ccc(-c2ccccc2)cc1 34091869 169240889 /nfs/dbraw/zinc/24/08/89/169240889.db2.gz AOICBMUOCBVJKJ-UHFFFAOYSA-N 0 0 185.226 2.606 10 0 AFAERN N[C@@H](C1=CCCCCC1)C(F)(F)F 50328212 169243417 /nfs/dbraw/zinc/24/34/17/169243417.db2.gz UMWDVEDQIRRQTR-QMMMGPOBSA-N 0 0 193.212 2.767 10 0 AFAERN N[C@H](C1=CCCCCC1)C(F)(F)F 50328213 169263162 /nfs/dbraw/zinc/26/31/62/169263162.db2.gz UMWDVEDQIRRQTR-MRVPVSSYSA-N 0 0 193.212 2.767 10 0 AFAERN Nc1c(Cl)cccc1-c1cc[nH]c1 3647526 169282530 /nfs/dbraw/zinc/28/25/30/169282530.db2.gz VLWKKIHFPGKVHZ-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 in-vitro AFAERN Nc1c(Cl)ccc2occc12 75396861 169282600 /nfs/dbraw/zinc/28/26/00/169282600.db2.gz KFKMMTWCUSFBJS-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN Nc1c(F)ccc2ccccc12 59613850 169282610 /nfs/dbraw/zinc/28/26/10/169282610.db2.gz ATLXSDBIQAJUBO-UHFFFAOYSA-N 0 0 161.179 2.561 10 0 AFAERN Nc1c(Cl)cnc2c(F)cccc12 41702238 169282688 /nfs/dbraw/zinc/28/26/88/169282688.db2.gz RRNVEBCPBRJXEE-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1c(Cl)cnn1C1CCCCC1 43665610 169282790 /nfs/dbraw/zinc/28/27/90/169282790.db2.gz FJOCZSXULXDJCF-UHFFFAOYSA-N 0 0 199.685 2.624 10 0 AFAERN Nc1c(O)c(Cl)cc2ccccc12 39367067 169282824 /nfs/dbraw/zinc/28/28/24/169282824.db2.gz CBIATSACMOQCIA-UHFFFAOYSA-N 0 0 193.633 2.781 10 0 AFAERN Nc1c(F)cccc1NC1CCCC1 37419146 169282855 /nfs/dbraw/zinc/28/28/55/169282855.db2.gz HSGVYMITGVIZKD-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN Nc1c(Cl)cnc2ccc(F)cc12 41702226 169282893 /nfs/dbraw/zinc/28/28/93/169282893.db2.gz PENSJENUOUNQPE-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1c(Cl)ccc2ccoc12 95935941 169282902 /nfs/dbraw/zinc/28/29/02/169282902.db2.gz HLBZNYOCYAXWMB-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN Nc1c(O)cccc1-c1ccccc1 34214059 169282904 /nfs/dbraw/zinc/28/29/04/169282904.db2.gz AVJWZOLSWBETCM-UHFFFAOYSA-N 0 0 185.226 2.641 10 0 AFAERN Nc1c(F)cccc1NCC1CCC1 37419583 169283082 /nfs/dbraw/zinc/28/30/82/169283082.db2.gz QKVVHJKMDUBNKB-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN Nc1c(Cl)ccc2ncsc12 45237853 169283344 /nfs/dbraw/zinc/28/33/44/169283344.db2.gz JHFHIYKNHJGYMQ-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN Nc1c(Cl)cnc2cc(F)ccc12 41702232 169283493 /nfs/dbraw/zinc/28/34/93/169283493.db2.gz CFAPUZSZYYCVQK-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1cc(-c2cscn2)ccc1F 41626829 169283679 /nfs/dbraw/zinc/28/36/79/169283679.db2.gz QEJBVJKBROBPFC-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1cc(-c2ccco2)cs1 103539414 169283807 /nfs/dbraw/zinc/28/38/07/169283807.db2.gz UUVHSLPZPPXKIY-UHFFFAOYSA-N 0 0 165.217 2.590 10 0 AFAERN Nc1cc(-c2ccccc2)co1 103624585 169283893 /nfs/dbraw/zinc/28/38/93/169283893.db2.gz XLQMPPGRWUPSNE-UHFFFAOYSA-N 0 0 159.188 2.529 10 0 AFAERN Nc1cc(-c2cncs2)ccc1F 32008873 169284141 /nfs/dbraw/zinc/28/41/41/169284141.db2.gz MUUMRPCJWZJDJD-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1cc(-c2ccccc2F)co1 103624605 169284345 /nfs/dbraw/zinc/28/43/45/169284345.db2.gz YWPOWJCKBZVRSB-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Nc1cc(-c2ccco2)c(F)cc1F 41048865 169284440 /nfs/dbraw/zinc/28/44/40/169284440.db2.gz FJZSAJJXRAAVNS-UHFFFAOYSA-N 0 0 195.168 2.807 10 0 AFAERN Nc1cc(-c2ncco2)ccc1Cl 82530874 169284454 /nfs/dbraw/zinc/28/44/54/169284454.db2.gz IHBVTRFZCIILRU-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1c2n(c3ccccc13)CCCC2 82392083 169284480 /nfs/dbraw/zinc/28/44/80/169284480.db2.gz GGCAIXDXNHNDPS-UHFFFAOYSA-N 0 0 186.258 2.560 10 0 AFAERN Nc1cc(C2CCCCCC2)no1 53715144 169284919 /nfs/dbraw/zinc/28/49/19/169284919.db2.gz KCQJUQHGTOJTIQ-UHFFFAOYSA-N 0 0 180.251 2.695 10 0 AFAERN Nc1cc(C2CCCCC2)ccn1 44120352 169285067 /nfs/dbraw/zinc/28/50/67/169285067.db2.gz GGDXFHYTDJIFOV-UHFFFAOYSA-N 0 0 176.263 2.712 10 0 AFAERN Nc1cc(C2CCCCC2)ns1 34226052 169285403 /nfs/dbraw/zinc/28/54/03/169285403.db2.gz ZHGYVUAVXBOQBK-UHFFFAOYSA-N 0 0 182.292 2.773 10 0 AFAERN Nc1cc(CCC2CCCCC2)no1 34939715 169285523 /nfs/dbraw/zinc/28/55/23/169285523.db2.gz RUAXRGPGBMOFFH-UHFFFAOYSA-N 0 0 194.278 2.770 10 0 AFAERN Nc1cc(Cl)ccc1-c1ncco1 42413541 169285741 /nfs/dbraw/zinc/28/57/41/169285741.db2.gz VAPMROBBXAZPNP-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1cc(F)c2ccccc2c1 95830023 169285833 /nfs/dbraw/zinc/28/58/33/169285833.db2.gz FRELRPVNUJUIHF-UHFFFAOYSA-N 0 0 161.179 2.561 10 0 AFAERN Nc1cc(Cl)cc2c1SCCC2 82383459 169285838 /nfs/dbraw/zinc/28/58/38/169285838.db2.gz TVSUFLMULGKWKT-UHFFFAOYSA-N 0 0 199.706 2.961 10 0 AFAERN Nc1cc(Cl)cc2c1OCCCC2 82384710 169285886 /nfs/dbraw/zinc/28/58/86/169285886.db2.gz XNDNWYSUPWCPQY-UHFFFAOYSA-N 0 0 197.665 2.637 10 0 AFAERN Nc1cc(F)ccc1-c1ccco1 41048870 169285914 /nfs/dbraw/zinc/28/59/14/169285914.db2.gz WPDBGXKEOFAKLX-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Nc1cc(Cl)c2c(c1)CCCCN2 82385413 169285941 /nfs/dbraw/zinc/28/59/41/169285941.db2.gz RWFDOFXTNPKHLM-UHFFFAOYSA-N 0 0 196.681 2.670 10 0 AFAERN Nc1cc(F)c(NC2CCC2)c(F)c1 52207705 169285961 /nfs/dbraw/zinc/28/59/61/169285961.db2.gz SQCLSSHKPDTEIJ-UHFFFAOYSA-N 0 0 198.216 2.511 10 0 AFAERN Nc1cc(F)cc(NCC2CCC2)c1 37667954 169286051 /nfs/dbraw/zinc/28/60/51/169286051.db2.gz DWIOOFQMURJGPO-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN Nc1cc(Cl)ccc1C(=O)C1CC1 83053436 169286093 /nfs/dbraw/zinc/28/60/93/169286093.db2.gz AHLBIDSKXXZACY-UHFFFAOYSA-N 0 0 195.649 2.515 10 0 AFAERN Nc1cc(Cl)c2c(c1)CCCS2 82383458 169286167 /nfs/dbraw/zinc/28/61/67/169286167.db2.gz RXDRQKIABYQAAJ-UHFFFAOYSA-N 0 0 199.706 2.961 10 0 AFAERN Nc1cc(F)cc(-c2cncs2)c1 117845288 169286241 /nfs/dbraw/zinc/28/62/41/169286241.db2.gz MJQUZNTZKYHTGI-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1cc(F)cc(NC2CCCC2)c1 37666665 169286250 /nfs/dbraw/zinc/28/62/50/169286250.db2.gz NVLQKRNKBAUOBU-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN Nc1cc(F)cc2c1SCCCC2 82385025 169286252 /nfs/dbraw/zinc/28/62/52/169286252.db2.gz AHARRINKLDNKIN-UHFFFAOYSA-N 0 0 197.278 2.836 10 0 AFAERN Nc1cc(F)ccc1NC1CCCC1 20135463 169286277 /nfs/dbraw/zinc/28/62/77/169286277.db2.gz TWSRMGOEBPTUOZ-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN Nc1cc(Cl)c2scnc2c1 45236452 169286372 /nfs/dbraw/zinc/28/63/72/169286372.db2.gz JTRVHAIGBGLSBQ-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN Nc1cc(Cl)cc2ccoc12 62498563 169286419 /nfs/dbraw/zinc/28/64/19/169286419.db2.gz KKUPVCAOHRAINR-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN Nc1cc(Cl)ccc1NCC1CC1 26516694 169286446 /nfs/dbraw/zinc/28/64/46/169286446.db2.gz RYHMKVPBZQMBFJ-UHFFFAOYSA-N 0 0 196.681 2.744 10 0 AFAERN Nc1cc(F)c2c(c1)CCCCS2 82385026 169286476 /nfs/dbraw/zinc/28/64/76/169286476.db2.gz YQOBOWKPGYVHGK-UHFFFAOYSA-N 0 0 197.278 2.836 10 0 AFAERN Nc1cc(F)ccc1NCC1CCC1 37180430 169286573 /nfs/dbraw/zinc/28/65/73/169286573.db2.gz CEKYDIYLTDRAMO-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN Nc1cc(Cl)c2c(c1)CCCCO2 82384711 169286652 /nfs/dbraw/zinc/28/66/52/169286652.db2.gz MEGLHQNLSQWYMX-UHFFFAOYSA-N 0 0 197.665 2.637 10 0 AFAERN Nc1cc([C@@H]2CCCO2)ccc1Cl 49811825 169287368 /nfs/dbraw/zinc/28/73/68/169287368.db2.gz ASUKPUPJZMUSNS-JTQLQIEISA-N 0 0 197.665 2.774 10 0 AFAERN Nc1cc([C@H]2CCCO2)ccc1Cl 49811826 169287492 /nfs/dbraw/zinc/28/74/92/169287492.db2.gz ASUKPUPJZMUSNS-SNVBAGLBSA-N 0 0 197.665 2.774 10 0 AFAERN Nc1cc(N)cc(-c2cccs2)c1 41048946 169287519 /nfs/dbraw/zinc/28/75/19/169287519.db2.gz LGWKZITVLSDXIA-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN Nc1cc(OC2CC2)c2ccoc2c1 72207429 169287853 /nfs/dbraw/zinc/28/78/53/169287853.db2.gz MIPGBBGSOSCRTO-UHFFFAOYSA-N 0 0 189.214 2.556 10 0 AFAERN Nc1cc(F)ccc1SCC1CC1 36765437 169287941 /nfs/dbraw/zinc/28/79/41/169287941.db2.gz JYFDHURIDHNKGE-UHFFFAOYSA-N 0 0 197.278 2.910 10 0 AFAERN Nc1cc2c3c(cccc3c1)CC2 62718363 169288398 /nfs/dbraw/zinc/28/83/98/169288398.db2.gz USPFODDAZNDECA-UHFFFAOYSA-N 0 0 169.227 2.521 10 0 AFAERN Nc1cc2c(c3ccccc13)CCC2 75576311 169288670 /nfs/dbraw/zinc/28/86/70/169288670.db2.gz VZXCAAXCJYHQFF-UHFFFAOYSA-N 0 0 183.254 2.911 10 0 AFAERN Nc1cc2ccccc2cc1[S-] 39428998 169288761 /nfs/dbraw/zinc/28/87/61/169288761.db2.gz AUSYVGSRIHOEPI-UHFFFAOYSA-N 0 0 175.256 2.711 10 0 AFAERN Nc1cc2c(cc1Cl)CCCC2 82726378 169289049 /nfs/dbraw/zinc/28/90/49/169289049.db2.gz IVZBSMAZULHPKI-UHFFFAOYSA-N 0 0 181.666 2.801 10 0 AFAERN Nc1cc2c(s1)CCCCC2 106961256 169289326 /nfs/dbraw/zinc/28/93/26/169289326.db2.gz WXJQURXQPDZXER-UHFFFAOYSA-N 0 0 167.277 2.599 10 0 AFAERN Nc1ccc(-c2ccccc2)c(N)c1 5421955 169289647 /nfs/dbraw/zinc/28/96/47/169289647.db2.gz AXTSDCSKRWMCRQ-UHFFFAOYSA-N 0 0 184.242 2.518 10 0 AFAERN Nc1ccc(-c2ncco2)c(Cl)c1 42413539 169289659 /nfs/dbraw/zinc/28/96/59/169289659.db2.gz IHKUXLMNUXFROL-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1ccc(-c2ccc(N)s2)cc1 166266629 169289747 /nfs/dbraw/zinc/28/97/47/169289747.db2.gz ZDWBGLOQMVWYLK-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN Nc1ccc(-c2ccoc2)s1 103629818 169290046 /nfs/dbraw/zinc/29/00/46/169290046.db2.gz VUHUCEUEIGEIRB-UHFFFAOYSA-N 0 0 165.217 2.590 10 0 AFAERN Nc1ccc(-c2ccsc2)cc1N 40913513 169290155 /nfs/dbraw/zinc/29/01/55/169290155.db2.gz OZEWMDJTNVDPJN-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 in-vivo AFAERN Nc1ccc(-c2ccoc2)cc1 28635288 169290253 /nfs/dbraw/zinc/29/02/53/169290253.db2.gz NSKKXDBWURWAOW-UHFFFAOYSA-N 0 0 159.188 2.529 10 0 in-vivo AFAERN Nc1ccc(C2=CCC=C2)cc1 100835436 169290256 /nfs/dbraw/zinc/29/02/56/169290256.db2.gz RRBMRUIOPCAPGP-UHFFFAOYSA-N 0 0 156.208 2.655 10 0 AFAERN Nc1ccc(-c2ccco2)s1 103629830 169290279 /nfs/dbraw/zinc/29/02/79/169290279.db2.gz HMKWPKIZWONUII-UHFFFAOYSA-N 0 0 165.217 2.590 10 0 AFAERN Nc1ccc(C(=O)C2CCCC2)cc1 32008173 169290295 /nfs/dbraw/zinc/29/02/95/169290295.db2.gz VCTXXFGEBGHQON-UHFFFAOYSA-N 0 0 189.258 2.642 10 0 AFAERN Nc1ccc(/C=C\c2ccncc2)cc1 5105887 169290325 /nfs/dbraw/zinc/29/03/25/169290325.db2.gz PXQBOKSMWOHSOJ-UPHRSURJSA-N 0 0 196.253 2.834 10 0 AFAERN Nc1ccc(-c2cccs2)c(N)c1 41048932 169290560 /nfs/dbraw/zinc/29/05/60/169290560.db2.gz PSLCEZMTISQAEV-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN Nc1ccc(-c2ccccc2)cc1O 1855190 169290594 /nfs/dbraw/zinc/29/05/94/169290594.db2.gz ILGJVPVZCNNBKI-UHFFFAOYSA-N 0 0 185.226 2.641 10 0 AFAERN Nc1ccc(/C=C/c2ccccc2)cn1 34585802 169290636 /nfs/dbraw/zinc/29/06/36/169290636.db2.gz GOBSVRCPXIUPQV-VOTSOKGWSA-N 0 0 196.253 2.834 10 0 AFAERN Nc1ccc(-c2ccccc2N)cc1 2040461 169290649 /nfs/dbraw/zinc/29/06/49/169290649.db2.gz RDMFEHLCCOQUMH-UHFFFAOYSA-N 0 0 184.242 2.518 10 0 in-vitro AFAERN Nc1ccc(-c2ccco2)c(F)c1 43474372 169290650 /nfs/dbraw/zinc/29/06/50/169290650.db2.gz NYWHBHXGQYUQRO-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Nc1ccc(C2CCCCC2)cn1 44120593 169290980 /nfs/dbraw/zinc/29/09/80/169290980.db2.gz VYVVHWGTAHOZKD-UHFFFAOYSA-N 0 0 176.263 2.712 10 0 AFAERN Nc1ccc(C2CCCC2)s1 103629801 169291059 /nfs/dbraw/zinc/29/10/59/169291059.db2.gz LYGRTHNANSPHAF-UHFFFAOYSA-N 0 0 167.277 2.988 10 0 AFAERN Nc1ccc(C2CCCCC2)nc1 44121448 169291075 /nfs/dbraw/zinc/29/10/75/169291075.db2.gz NIJLSLAIMHDVFK-UHFFFAOYSA-N 0 0 176.263 2.712 10 0 AFAERN Nc1ccc(C2CCC2)s1 103629792 169291284 /nfs/dbraw/zinc/29/12/84/169291284.db2.gz URUANHNPCFBGEC-UHFFFAOYSA-N 0 0 153.250 2.598 10 0 AFAERN Nc1ccc(C2CCCCC2)cc1N 6547986 169291660 /nfs/dbraw/zinc/29/16/60/169291660.db2.gz JJDUBGJUDSYZNI-UHFFFAOYSA-N 0 0 190.290 2.899 10 0 AFAERN Nc1ccc(C2=CCCC2)cc1 33487535 169291835 /nfs/dbraw/zinc/29/18/35/169291835.db2.gz IYSBOUPVHITTKG-UHFFFAOYSA-N 0 0 159.232 2.836 10 0 AFAERN Nc1ccc(F)cc1NC1CCCC1 52119060 169292174 /nfs/dbraw/zinc/29/21/74/169292174.db2.gz KUVHJPYGBJZITI-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN Nc1ccc(NCC2CC2)c(Cl)c1 34939567 169292271 /nfs/dbraw/zinc/29/22/71/169292271.db2.gz MEMUOFMEHVBVMK-UHFFFAOYSA-N 0 0 196.681 2.744 10 0 AFAERN Nc1ccc(NC2CCC2)c(Cl)c1 52207363 169292746 /nfs/dbraw/zinc/29/27/46/169292746.db2.gz LGBIXYSZDDPZMJ-UHFFFAOYSA-N 0 0 196.681 2.887 10 0 AFAERN Nc1ccc(OC2CCCC2)cc1F 43472259 169292883 /nfs/dbraw/zinc/29/28/83/169292883.db2.gz SYKTWAYUSIPTNX-UHFFFAOYSA-N 0 0 195.237 2.729 10 0 AFAERN Nc1ccc(NC2CCCC2)c(F)c1 20135604 169293081 /nfs/dbraw/zinc/29/30/81/169293081.db2.gz YDHHTNRZFSLXGQ-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN Nc1ccc(O)c(Cc2ccccc2)c1 34165062 169293183 /nfs/dbraw/zinc/29/31/83/169293183.db2.gz RMKRCLBDIMSFQB-UHFFFAOYSA-N 0 0 199.253 2.565 10 0 AFAERN Nc1ccc(NCC2CCC2)c(F)c1 37180420 169293195 /nfs/dbraw/zinc/29/31/95/169293195.db2.gz OQEMQXDBTXARDN-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN Nc1ccc(OCC2CC2)cc1Cl 50471138 169293229 /nfs/dbraw/zinc/29/32/29/169293229.db2.gz ROIKVFWDBFOGSR-UHFFFAOYSA-N 0 0 197.665 2.711 10 0 AFAERN Nc1ccc(OC2CCC2)c(Cl)c1 50519018 169293334 /nfs/dbraw/zinc/29/33/34/169293334.db2.gz ABIIIXUFYBQSGO-UHFFFAOYSA-N 0 0 197.665 2.854 10 0 AFAERN Nc1ccc(SCC(F)F)cc1 37756088 169293565 /nfs/dbraw/zinc/29/35/65/169293565.db2.gz YONZDBQNSJSBEY-UHFFFAOYSA-N 0 0 189.230 2.626 10 0 AFAERN Nc1ccc(SC2CCCC2)cn1 37192698 169293611 /nfs/dbraw/zinc/29/36/11/169293611.db2.gz RNYKJWHYGOJAIG-UHFFFAOYSA-N 0 0 194.303 2.699 10 0 AFAERN Nc1ccc(SCC2CC2)c(F)c1 36765436 169293695 /nfs/dbraw/zinc/29/36/95/169293695.db2.gz KGGSDXOHHXEHJX-UHFFFAOYSA-N 0 0 197.278 2.910 10 0 AFAERN Nc1ccc(Sc2ccc[nH]2)cc1 36948415 169293807 /nfs/dbraw/zinc/29/38/07/169293807.db2.gz BEANQIMEABSWAK-UHFFFAOYSA-N 0 0 190.271 2.748 10 0 AFAERN Nc1ccc([C@@H]2CCCOCC2)cc1 71491526 169294069 /nfs/dbraw/zinc/29/40/69/169294069.db2.gz QSQMROROKADTOI-SNVBAGLBSA-N 0 0 191.274 2.553 10 0 AFAERN Nc1ccc(SCC2CC2)cc1 36765429 169294128 /nfs/dbraw/zinc/29/41/28/169294128.db2.gz GIGQMHZXPCDURR-UHFFFAOYSA-N 0 0 179.288 2.771 10 0 AFAERN Nc1ccc(SC2CCCC2)nc1 37191886 169294131 /nfs/dbraw/zinc/29/41/31/169294131.db2.gz IFUKEIXSQKCKEG-UHFFFAOYSA-N 0 0 194.303 2.699 10 0 AFAERN Nc1ccc(SC(F)F)c(F)c1 37194392 169294150 /nfs/dbraw/zinc/29/41/50/169294150.db2.gz WUUJLSPQGCTLTO-UHFFFAOYSA-N 0 0 193.193 2.723 10 0 AFAERN Nc1ccc([C@H]2CCCOCC2)cc1 71491528 169294201 /nfs/dbraw/zinc/29/42/01/169294201.db2.gz QSQMROROKADTOI-JTQLQIEISA-N 0 0 191.274 2.553 10 0 AFAERN Nc1ccc2c(c1)CCCCS2 82396869 169294420 /nfs/dbraw/zinc/29/44/20/169294420.db2.gz DHSNVJALJDFTKQ-UHFFFAOYSA-N 0 0 179.288 2.697 10 0 AFAERN Nc1ccc2c(c1)oc1ccc(N)cc12 5933801 169294766 /nfs/dbraw/zinc/29/47/66/169294766.db2.gz YCDUMXSNRLISHV-UHFFFAOYSA-N 0 0 198.225 2.750 10 0 AFAERN Nc1ccc2ccccc2c1F 95830022 169294818 /nfs/dbraw/zinc/29/48/18/169294818.db2.gz FORHUMZQWSIXBI-UHFFFAOYSA-N 0 0 161.179 2.561 10 0 AFAERN Nc1ccc2ccc(F)cc2c1 39119032 169295064 /nfs/dbraw/zinc/29/50/64/169295064.db2.gz NEVCOUQLCQKNLL-UHFFFAOYSA-N 0 0 161.179 2.561 10 0 AFAERN Nc1cccc(/C=C\c2ccccc2)n1 83324219 169295312 /nfs/dbraw/zinc/29/53/12/169295312.db2.gz VZOYVGQAPOCCMI-KTKRTIGZSA-N 0 0 196.253 2.834 10 0 AFAERN Nc1ccc2nc(C3CCC3)oc2c1 34939991 169295343 /nfs/dbraw/zinc/29/53/43/169295343.db2.gz AKLHATYMVFERQB-UHFFFAOYSA-N 0 0 188.230 2.678 10 0 AFAERN Nc1ccc2oc3c(c2c1)CCC3 2538812 169295701 /nfs/dbraw/zinc/29/57/01/169295701.db2.gz QSWUGGHPHVDKGC-UHFFFAOYSA-N 0 0 173.215 2.504 10 0 AFAERN Nc1ccc2scnc2c1C1CC1 45236377 169295703 /nfs/dbraw/zinc/29/57/03/169295703.db2.gz FFKHASFVZITTMG-UHFFFAOYSA-N 0 0 190.271 2.756 10 0 AFAERN Nc1cccc(-c2ccccc2N)c1 5162275 169295791 /nfs/dbraw/zinc/29/57/91/169295791.db2.gz CRQBUNFZJOLMKC-UHFFFAOYSA-N 0 0 184.242 2.518 10 0 AFAERN Nc1ccc2sc3c(c2c1)COC3 82389537 169295933 /nfs/dbraw/zinc/29/59/33/169295933.db2.gz PTLZAVUNPOLXOP-UHFFFAOYSA-N 0 0 191.255 2.514 10 0 AFAERN Nc1ccc2oc(C3CCC3)nc2c1 19477072 169295939 /nfs/dbraw/zinc/29/59/39/169295939.db2.gz DOVHBEMLKHFWFR-UHFFFAOYSA-N 0 0 188.230 2.678 10 0 AFAERN Nc1ccc2snc(Cl)c2c1 3643140 169295980 /nfs/dbraw/zinc/29/59/80/169295980.db2.gz RDJGOLRFSSFEDL-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN Nc1cccc(/C=C\c2ccccn2)c1 33624075 169296023 /nfs/dbraw/zinc/29/60/23/169296023.db2.gz WVPUKLNVCMBNMD-FPLPWBNLSA-N 0 0 196.253 2.834 10 0 AFAERN Nc1ccc2sc(C3CC3)nc2c1 62520812 169296028 /nfs/dbraw/zinc/29/60/28/169296028.db2.gz UZINLDLMFFPRFD-UHFFFAOYSA-N 0 0 190.271 2.756 10 0 AFAERN Nc1cccc(C(=O)C2CCCC2)c1 71494915 169296205 /nfs/dbraw/zinc/29/62/05/169296205.db2.gz CHVODTLNLCRFSG-UHFFFAOYSA-N 0 0 189.258 2.642 10 0 AFAERN Nc1cccc(N)c1-c1ccccc1 39311167 169296254 /nfs/dbraw/zinc/29/62/54/169296254.db2.gz JDDMWQQABQPJQA-UHFFFAOYSA-N 0 0 184.242 2.518 10 0 AFAERN Nc1cccc(NCC2CCCC2)c1 37258324 169296424 /nfs/dbraw/zinc/29/64/24/169296424.db2.gz PBNXOJYJQFPFSN-UHFFFAOYSA-N 0 0 190.290 2.871 10 0 AFAERN Nc1cccc(Cc2cccs2)c1 32008177 169296505 /nfs/dbraw/zinc/29/65/05/169296505.db2.gz MYUAKWCEQXXYJJ-UHFFFAOYSA-N 0 0 189.283 2.921 10 0 AFAERN Nc1cccc(C2CCCCC2)n1 44116801 169296591 /nfs/dbraw/zinc/29/65/91/169296591.db2.gz RQLUSPQIUMXWOC-UHFFFAOYSA-N 0 0 176.263 2.712 10 0 AFAERN Nc1cccc(NCc2ccccc2)c1 34408573 169296763 /nfs/dbraw/zinc/29/67/63/169296763.db2.gz XQLPTVCWIPYBEH-UHFFFAOYSA-N 0 0 198.269 2.881 10 0 AFAERN Nc1cccc(Cl)c1OC1CCC1 50519020 169296783 /nfs/dbraw/zinc/29/67/83/169296783.db2.gz KQLKSIXUMQDNEY-UHFFFAOYSA-N 0 0 197.665 2.854 10 0 AFAERN Nc1cccc(OCC2CCCC2)c1 42010975 169296915 /nfs/dbraw/zinc/29/69/15/169296915.db2.gz JVFTZZKPCZVFER-UHFFFAOYSA-N 0 0 191.274 2.838 10 0 AFAERN Nc1cccc(Oc2nccs2)c1 36667303 169297045 /nfs/dbraw/zinc/29/70/45/169297045.db2.gz KUFRHKWGASYQFN-UHFFFAOYSA-N 0 0 192.243 2.518 10 0 AFAERN Nc1cccc(C2=CCCC2)c1 33487534 169297050 /nfs/dbraw/zinc/29/70/50/169297050.db2.gz ZKZYOAPGBJFACJ-UHFFFAOYSA-N 0 0 159.232 2.836 10 0 AFAERN Nc1cccc(Cl)c1NCC1CC1 20381794 169297148 /nfs/dbraw/zinc/29/71/48/169297148.db2.gz XMAACMFHDWAKFU-UHFFFAOYSA-N 0 0 196.681 2.744 10 0 AFAERN Nc1cccc(CNc2ccccc2)c1 40397820 169297284 /nfs/dbraw/zinc/29/72/84/169297284.db2.gz UYCCBRTXVVVRSD-UHFFFAOYSA-N 0 0 198.269 2.881 10 0 AFAERN Nc1cccc2nc(C3CC3)sc12 62520816 169297303 /nfs/dbraw/zinc/29/73/03/169297303.db2.gz UGJLTMUDQJJWHG-UHFFFAOYSA-N 0 0 190.271 2.756 10 0 AFAERN Nc1cccc2c3c([nH]c12)CCCC3 1998096 169297599 /nfs/dbraw/zinc/29/75/99/169297599.db2.gz XRVPYLJMIRUIJU-UHFFFAOYSA-N 0 0 186.258 2.629 10 0 AFAERN Nc1cccc2c(Cl)nsc12 3643138 169297650 /nfs/dbraw/zinc/29/76/50/169297650.db2.gz QEMAADKFXFAFPL-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN Nc1cccc2c1[C@@H]1C=C[C@H]2CC1 75561357 169297667 /nfs/dbraw/zinc/29/76/67/169297667.db2.gz HQFPSFCDKJNPIY-DTWKUNHWSA-N 0 0 171.243 2.800 10 0 AFAERN Nc1cccc2c1SCCCC2 82396868 169297692 /nfs/dbraw/zinc/29/76/92/169297692.db2.gz CCJYYGKBEPSXHQ-UHFFFAOYSA-N 0 0 179.288 2.697 10 0 AFAERN Nc1cccc2cc3c(nc12)CCCC3 31622999 169297875 /nfs/dbraw/zinc/29/78/75/169297875.db2.gz MOWGHIVIVXUXBY-UHFFFAOYSA-N 0 0 198.269 2.696 10 0 AFAERN Nc1cccc2oc(C3CCC3)nc12 74413251 169297905 /nfs/dbraw/zinc/29/79/05/169297905.db2.gz BZIRECDSITWZAX-UHFFFAOYSA-N 0 0 188.230 2.678 10 0 AFAERN Nc1cccc2c3c(oc12)CCC3 2538811 169297954 /nfs/dbraw/zinc/29/79/54/169297954.db2.gz SOSOERGFVIQHIQ-UHFFFAOYSA-N 0 0 173.215 2.504 10 0 AFAERN Nc1ccccc1Sc1ccc[nH]1 36948414 169298207 /nfs/dbraw/zinc/29/82/07/169298207.db2.gz IODFSANVYFUXFH-UHFFFAOYSA-N 0 0 190.271 2.748 10 0 AFAERN Nc1ccccc1Cc1cccs1 32008179 169298254 /nfs/dbraw/zinc/29/82/54/169298254.db2.gz XNCIMBNYRJMLMK-UHFFFAOYSA-N 0 0 189.283 2.921 10 0 AFAERN Nc1ccccc1NCC1CCCC1 37258352 169298288 /nfs/dbraw/zinc/29/82/88/169298288.db2.gz JLCRTEVNFXVEBY-UHFFFAOYSA-N 0 0 190.290 2.871 10 0 AFAERN Nc1ccccc1Cc1ccsc1 39278694 169298314 /nfs/dbraw/zinc/29/83/14/169298314.db2.gz SWYIPCPDDMSOSU-UHFFFAOYSA-N 0 0 189.283 2.921 10 0 AFAERN Nc1ccccc1[C@H]1CCCS1 39435776 169298365 /nfs/dbraw/zinc/29/83/65/169298365.db2.gz BJHHEINMTYUQTA-SNVBAGLBSA-N 0 0 179.288 2.837 10 0 AFAERN Nc1ccccc1CCc1ccco1 75577728 169298371 /nfs/dbraw/zinc/29/83/71/169298371.db2.gz MDUVHGBYCMUYNQ-UHFFFAOYSA-N 0 0 187.242 2.647 10 0 AFAERN Nc1ccccc1SCC1CC1 20495223 169298439 /nfs/dbraw/zinc/29/84/39/169298439.db2.gz VVUJIBLPECSQMI-UHFFFAOYSA-N 0 0 179.288 2.771 10 0 AFAERN Nc1ccccc1[C@H]1C=CCC1 39368497 169298465 /nfs/dbraw/zinc/29/84/65/169298465.db2.gz LDYLIAITQPPDNM-VIFPVBQESA-N 0 0 159.232 2.702 10 0 AFAERN Nc1ccccc1C1=CCCC1 33487533 169298488 /nfs/dbraw/zinc/29/84/88/169298488.db2.gz VPQYYBAYDFJLTG-UHFFFAOYSA-N 0 0 159.232 2.836 10 0 AFAERN Nc1ccccc1[C@@H]1C=CCC1 39368498 169298765 /nfs/dbraw/zinc/29/87/65/169298765.db2.gz LDYLIAITQPPDNM-SECBINFHSA-N 0 0 159.232 2.702 10 0 AFAERN Nc1ccccc1Oc1nccs1 36667295 169298772 /nfs/dbraw/zinc/29/87/72/169298772.db2.gz JPDAKQMTWGAVEY-UHFFFAOYSA-N 0 0 192.243 2.518 10 0 AFAERN Nc1ccccc1[C@@H]1CCCS1 39435775 169298775 /nfs/dbraw/zinc/29/87/75/169298775.db2.gz BJHHEINMTYUQTA-JTQLQIEISA-N 0 0 179.288 2.837 10 0 AFAERN Nc1ccccc1SC1CC1 20495221 169298836 /nfs/dbraw/zinc/29/88/36/169298836.db2.gz HEIUZKJIJPUNAF-UHFFFAOYSA-N 0 0 165.261 2.523 10 0 AFAERN Nc1ccccc1/C=C/c1ccccn1 96336818 169298857 /nfs/dbraw/zinc/29/88/57/169298857.db2.gz BJDRRBLUEFKNEK-CMDGGOBGSA-N 0 0 196.253 2.834 10 0 AFAERN Nc1ccccc1COC1CCCC1 19263727 169298869 /nfs/dbraw/zinc/29/88/69/169298869.db2.gz LKKSYVYLCQIHLW-UHFFFAOYSA-N 0 0 191.274 2.728 10 0 AFAERN Nc1ccccc1O[C@H]1C=CCCC1 75579277 169298877 /nfs/dbraw/zinc/29/88/77/169298877.db2.gz DUQCCNSBVGWBQP-JTQLQIEISA-N 0 0 189.258 2.756 10 0 AFAERN Nc1ccccc1O[C@@H]1C=CCCC1 75579280 169298898 /nfs/dbraw/zinc/29/88/98/169298898.db2.gz DUQCCNSBVGWBQP-SNVBAGLBSA-N 0 0 189.258 2.756 10 0 AFAERN Nc1ccccc1-c1ccccc1O 977102 169299024 /nfs/dbraw/zinc/29/90/24/169299024.db2.gz QWADLHUGJNHMED-UHFFFAOYSA-N 0 0 185.226 2.641 10 0 AFAERN Nc1ccccc1OCC1=CCCC1 75579275 169299032 /nfs/dbraw/zinc/29/90/32/169299032.db2.gz UPYGFJIWJNHMFS-UHFFFAOYSA-N 0 0 189.258 2.758 10 0 AFAERN Nc1cccnc1C1CCCCC1 82398609 169299836 /nfs/dbraw/zinc/29/98/36/169299836.db2.gz IISKGTANCWTLEY-UHFFFAOYSA-N 0 0 176.263 2.712 10 0 AFAERN Nc1cccnc1SC1CCCC1 37191087 169299911 /nfs/dbraw/zinc/29/99/11/169299911.db2.gz VWPXYVPZJFTXBQ-UHFFFAOYSA-N 0 0 194.303 2.699 10 0 AFAERN Nc1cccnc1/C=C\c1ccccc1 83324156 169299982 /nfs/dbraw/zinc/29/99/82/169299982.db2.gz VXARDGMDMUMINC-HJWRWDBZSA-N 0 0 196.253 2.834 10 0 AFAERN Nc1ccnc2c(F)c(Cl)ccc12 50844343 169300252 /nfs/dbraw/zinc/30/02/52/169300252.db2.gz YUAVVECSBQICJD-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1cnc(-c2ccc(Cl)cc2)o1 71506931 169300278 /nfs/dbraw/zinc/30/02/78/169300278.db2.gz ARTUEYHBKZTNLW-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1ccnc2c(Cl)cc(F)cc12 50844147 169300525 /nfs/dbraw/zinc/30/05/25/169300525.db2.gz LBVBADJAUGPRCK-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1ccsc1Cc1ccccc1 38950450 169300544 /nfs/dbraw/zinc/30/05/44/169300544.db2.gz BXJXOHWQWAZHBQ-UHFFFAOYSA-N 0 0 189.283 2.921 10 0 AFAERN Nc1ccnc2c(F)ccc(Cl)c12 50843757 169300662 /nfs/dbraw/zinc/30/06/62/169300662.db2.gz OTENYUXBSPRFPO-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1ccsc1-c1sccc1N 38888744 169300830 /nfs/dbraw/zinc/30/08/30/169300830.db2.gz TWZYIIWMWRJQRQ-UHFFFAOYSA-N 0 0 196.300 2.641 10 0 AFAERN Nc1ccnc2c(F)cc(Cl)cc12 50844217 169300940 /nfs/dbraw/zinc/30/09/40/169300940.db2.gz YAVKBPCMPPRCAX-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1cnc(-c2ccc(F)cc2)s1 44120451 169300942 /nfs/dbraw/zinc/30/09/42/169300942.db2.gz LMPFANWDDWMGBY-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1ccnn1C1CCCCCCC1 19689286 169300976 /nfs/dbraw/zinc/30/09/76/169300976.db2.gz HAWPGDPMKXWHNY-UHFFFAOYSA-N 0 0 193.294 2.751 10 0 AFAERN Nc1cnc(-c2cccc(Cl)c2)o1 71506930 169301187 /nfs/dbraw/zinc/30/11/87/169301187.db2.gz NANGJTQUQLEILO-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1cnc(-c2cccc(F)c2)s1 44120441 169301219 /nfs/dbraw/zinc/30/12/19/169301219.db2.gz VMHAGXITNQVXPL-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1cnc(C2CCCCC2)s1 44117234 169301429 /nfs/dbraw/zinc/30/14/29/169301429.db2.gz ZYCOTJYPTKNDSU-UHFFFAOYSA-N 0 0 182.292 2.773 10 0 AFAERN Nc1cnc(-c2ccccc2F)s1 44121588 169302130 /nfs/dbraw/zinc/30/21/30/169302130.db2.gz QFENOJWMDFPYRS-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1cnc(C2=CCCCC2)s1 44121573 169302233 /nfs/dbraw/zinc/30/22/33/169302233.db2.gz ATKNVATVEHEQRN-UHFFFAOYSA-N 0 0 180.276 2.683 10 0 AFAERN Nc1cnc(-c2ccccc2Cl)o1 71506929 169302237 /nfs/dbraw/zinc/30/22/37/169302237.db2.gz HXMWPQIZKBBEDA-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1cnccc1SC1CCCC1 37190282 169302710 /nfs/dbraw/zinc/30/27/10/169302710.db2.gz DRKITFOBFCOKHD-UHFFFAOYSA-N 0 0 194.303 2.699 10 0 AFAERN Nc1cncc(C2CCCCC2)c1 72192721 169302829 /nfs/dbraw/zinc/30/28/29/169302829.db2.gz BCPWYIMFFNXPLK-UHFFFAOYSA-N 0 0 176.263 2.712 10 0 AFAERN Nc1cnccc1C1CCCCC1 82398610 169302869 /nfs/dbraw/zinc/30/28/69/169302869.db2.gz DKNWJUDRVGAUMG-UHFFFAOYSA-N 0 0 176.263 2.712 10 0 AFAERN Nc1csc(-c2ccccc2F)n1 44119819 169303277 /nfs/dbraw/zinc/30/32/77/169303277.db2.gz YVPCATQZUKOJBY-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1cscc1C1CCCC1 82402328 169303599 /nfs/dbraw/zinc/30/35/99/169303599.db2.gz PNJYDSUECCHCDL-UHFFFAOYSA-N 0 0 167.277 2.988 10 0 AFAERN Nc1csc(-c2cccc(F)c2)n1 44119646 169303637 /nfs/dbraw/zinc/30/36/37/169303637.db2.gz RAGAIFADDNZDGB-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1csc(-c2ccc(F)cc2)n1 44119659 169303851 /nfs/dbraw/zinc/30/38/51/169303851.db2.gz BBAXBGYZPXIQSC-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1csc(C2=CCCCC2)n1 44121516 169304083 /nfs/dbraw/zinc/30/40/83/169304083.db2.gz JWVNKMLUKFSPSX-UHFFFAOYSA-N 0 0 180.276 2.683 10 0 AFAERN Nc1nc(-c2ccccc2)c(Cl)o1 75597263 169304337 /nfs/dbraw/zinc/30/43/37/169304337.db2.gz OYQNIVXDRKGIPO-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1nc(C2=CCCCC2)cs1 72191798 169304826 /nfs/dbraw/zinc/30/48/26/169304826.db2.gz CNAIZHGUNGTBET-UHFFFAOYSA-N 0 0 180.276 2.683 10 0 AFAERN Nc1nc(-c2ccccc2)c(F)s1 26466585 169304900 /nfs/dbraw/zinc/30/49/00/169304900.db2.gz FTAOMRJSRMZZGW-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1nc(-c2cccc(Cl)c2)co1 50266305 169305057 /nfs/dbraw/zinc/30/50/57/169305057.db2.gz RWFDHWWVAFJRBI-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1nc(Oc2ccccc2)cs1 106177554 169306487 /nfs/dbraw/zinc/30/64/87/169306487.db2.gz ACPNEXCALGDXKI-UHFFFAOYSA-N 0 0 192.243 2.518 10 0 AFAERN Nc1nc([C@@H]2C[C@H]3CC[C@@H]2C3)cs1 96378779 169306663 /nfs/dbraw/zinc/30/66/63/169306663.db2.gz VBZLFXXQNYUVQX-XLPZGREQSA-N 0 0 194.303 2.629 10 0 AFAERN Nc1nc([C@H]2C[C@H]3CC[C@@H]2C3)cs1 96378780 169306985 /nfs/dbraw/zinc/30/69/85/169306985.db2.gz VBZLFXXQNYUVQX-RNJXMRFFSA-N 0 0 194.303 2.629 10 0 AFAERN Nc1nc2ccccc2c2ccoc12 96914608 169307959 /nfs/dbraw/zinc/30/79/59/169307959.db2.gz VCHNVZXKGBOMKA-UHFFFAOYSA-N 0 0 184.198 2.563 10 0 AFAERN Nc1nc2ccccc2c2c1CCCC2 169350068 169308287 /nfs/dbraw/zinc/30/82/87/169308287.db2.gz VXDFWJZQHSBOCA-UHFFFAOYSA-N 0 0 198.269 2.696 10 0 AFAERN Nc1nccc2cc(Cl)sc12 71482633 169309175 /nfs/dbraw/zinc/30/91/75/169309175.db2.gz WFNZYTWZIDZRBB-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN Nc1ncsc1-c1cccc(F)c1 82530774 169310555 /nfs/dbraw/zinc/31/05/55/169310555.db2.gz NUTWYXJRWRNJRO-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1nnc(C2CCCCCC2)s1 53715125 169310668 /nfs/dbraw/zinc/31/06/68/169310668.db2.gz IKOPPSIEFDHKOR-UHFFFAOYSA-N 0 0 197.307 2.558 10 0 AFAERN Nc1ncsc1-c1ccc(F)cc1 82530773 169311005 /nfs/dbraw/zinc/31/10/05/169311005.db2.gz LCTVHTARNSRBPF-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1ncsc1-c1ccccc1F 82530772 169311046 /nfs/dbraw/zinc/31/10/46/169311046.db2.gz UYWVZIPQCINFNQ-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1occc1-c1cccs1 106517799 169311469 /nfs/dbraw/zinc/31/14/69/169311469.db2.gz HYJPWNJODZQYGR-UHFFFAOYSA-N 0 0 165.217 2.590 10 0 AFAERN Nc1occc1-c1ccc(F)cc1 106517823 169311475 /nfs/dbraw/zinc/31/14/75/169311475.db2.gz BDPINRLFVPEPRS-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Nc1nocc1-c1ccc(Cl)cc1 49811399 169311814 /nfs/dbraw/zinc/31/18/14/169311814.db2.gz YOTMKSUUYFXNEO-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1oc2ccccc2c1C1CC1 77068369 169311837 /nfs/dbraw/zinc/31/18/37/169311837.db2.gz IBMBIRIAFSZJMM-UHFFFAOYSA-N 0 0 173.215 2.892 10 0 AFAERN Nc1nocc1-c1cccc(Cl)c1 49811398 169311855 /nfs/dbraw/zinc/31/18/55/169311855.db2.gz PCKFKUIYUZQMJT-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1oncc1-c1ccccc1Cl 19045591 169311938 /nfs/dbraw/zinc/31/19/38/169311938.db2.gz DRYQDXQNGLRUOC-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1occc1-c1cccc(F)c1 106517825 169311987 /nfs/dbraw/zinc/31/19/87/169311987.db2.gz GHSYDMOYGMALKT-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Nc1occc1-c1ccccc1F 106517827 169312161 /nfs/dbraw/zinc/31/21/61/169312161.db2.gz RQIXMBBLWAOZPO-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Nc1noc(-c2ccccc2)c1Cl 75597246 169312280 /nfs/dbraw/zinc/31/22/80/169312280.db2.gz KJTUJQHZJHHMNX-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1nocc1-c1ccccc1Cl 49811397 169312332 /nfs/dbraw/zinc/31/23/32/169312332.db2.gz KFUNMMSAWMYPMX-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1occc1-c1ccccc1 106517787 169312511 /nfs/dbraw/zinc/31/25/11/169312511.db2.gz QVHNGZTWYXJPGX-UHFFFAOYSA-N 0 0 159.188 2.529 10 0 AFAERN O=C(CF)c1ccccc1 100194416 169312952 /nfs/dbraw/zinc/31/29/52/169312952.db2.gz NVWUIKICRQMGHY-VURMDHGXSA-N 0 0 138.141 2.513 10 0 AFAERN O=C(CCl)c1ccccc1 100194544 169313120 /nfs/dbraw/zinc/31/31/20/169313120.db2.gz KTIZSSHSPIVCDE-VURMDHGXSA-N 0 0 154.596 2.782 10 0 AFAERN Nc1snc2cc(Cl)ccc12 60248725 169313400 /nfs/dbraw/zinc/31/34/00/169313400.db2.gz RDZYFFPVANHPCJ-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN Nc1scnc1C1CCCCC1 50308042 169313424 /nfs/dbraw/zinc/31/34/24/169313424.db2.gz LTGNUEAMKJKUPP-UHFFFAOYSA-N 0 0 182.292 2.773 10 0 AFAERN O=C(C1CCCCC1)C(F)(F)Cl 39055273 169316919 /nfs/dbraw/zinc/31/69/19/169316919.db2.gz BXYBQLMYLAOSJZ-UHFFFAOYSA-N 0 0 196.624 2.967 10 0 AFAERN O=C(CC(F)(F)F)c1cccs1 34976752 169317415 /nfs/dbraw/zinc/31/74/15/169317415.db2.gz VVEFFNFOTGYTGL-UHFFFAOYSA-N 0 0 194.177 2.883 10 0 AFAERN O=C(CC(F)(F)F)C1CCCC1 42413129 169317549 /nfs/dbraw/zinc/31/75/49/169317549.db2.gz FLMISACKQDIRGK-UHFFFAOYSA-N 0 0 180.169 2.698 10 0 AFAERN O=C(CCC(F)(F)F)c1ccco1 36404683 169317910 /nfs/dbraw/zinc/31/79/10/169317910.db2.gz KYMFMLDHUFFHNY-UHFFFAOYSA-N 0 0 192.136 2.805 10 0 AFAERN O=C(CC1CCCCC1)c1ncc[nH]1 32135311 169318111 /nfs/dbraw/zinc/31/81/11/169318111.db2.gz JZCHUVJTESAWSU-UHFFFAOYSA-N 0 0 192.262 2.563 10 0 AFAERN O=C(CCCc1ccccc1)C1CC1 32008048 169318367 /nfs/dbraw/zinc/31/83/67/169318367.db2.gz RBLOYGXDPODHHF-UHFFFAOYSA-N 0 0 188.270 2.988 10 0 AFAERN O=C(CCCc1ccccc1)C(F)F 96915430 169318412 /nfs/dbraw/zinc/31/84/12/169318412.db2.gz HYXZEUVBZHVNOF-UHFFFAOYSA-N 0 0 198.212 2.844 10 0 AFAERN CC[C@@H]1CC[C@H](C)N1C(=O)C(C)(C)C 136700226 343981772 /nfs/dbraw/zinc/98/17/72/343981772.db2.gz PVIYHBRWIXYZEC-VHSXEESVSA-N 0 0 197.322 2.822 10 0 AFAERN O=C(CCc1ccccc1F)C1CC1 37594140 169318885 /nfs/dbraw/zinc/31/88/85/169318885.db2.gz VDDIEKIQCGSRLA-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN CC[C@@H]1CC[C@@H](C)N1C(=O)C(C)(C)C 136700285 343981923 /nfs/dbraw/zinc/98/19/23/343981923.db2.gz PVIYHBRWIXYZEC-NXEZZACHSA-N 0 0 197.322 2.822 10 0 AFAERN O=C(CF)c1cccc2ccccc12 39055071 169320324 /nfs/dbraw/zinc/32/03/24/169320324.db2.gz SRGVGTTXAMUJMZ-UHFFFAOYSA-N 0 0 188.201 2.992 10 0 AFAERN O=C(C[C@@H]1CCCO1)C1CCCCC1 37464087 169321579 /nfs/dbraw/zinc/32/15/79/169321579.db2.gz ZETBVCMMSJQNNQ-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN O=C(Cc1ccsc1)c1ccoc1 38125520 169322537 /nfs/dbraw/zinc/32/25/37/169322537.db2.gz HHLOPTJDDROOMF-UHFFFAOYSA-N 0 0 192.239 2.767 10 0 AFAERN O=C(Cc1ccc(F)cc1)CC1CC1 49730915 169322616 /nfs/dbraw/zinc/32/26/16/169322616.db2.gz CKECEGSEJZBIPI-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN O=C(Cc1cccs1)C1CCC1 38126077 169322752 /nfs/dbraw/zinc/32/27/52/169322752.db2.gz MNUKFCKJPWVIER-UHFFFAOYSA-N 0 0 180.272 2.660 10 0 AFAERN O=C(Cc1cccs1)c1ccoc1 38126000 169322793 /nfs/dbraw/zinc/32/27/93/169322793.db2.gz ADWASDCXTMHEGT-UHFFFAOYSA-N 0 0 192.239 2.767 10 0 AFAERN O=C(Cc1ccccc1F)C1CCC1 34525412 169322895 /nfs/dbraw/zinc/32/28/95/169322895.db2.gz NWRQJVWOEHLNET-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN O=C(Cc1ccccc1)CC1CC1 49730931 169322903 /nfs/dbraw/zinc/32/29/03/169322903.db2.gz NQIBZLTVFIRYTO-UHFFFAOYSA-N 0 0 174.243 2.598 10 0 AFAERN O=C(Cc1ccccc1F)CC1CC1 49730925 169322921 /nfs/dbraw/zinc/32/29/21/169322921.db2.gz IAHUIAFQKYVWIN-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN O=C(Cc1ccsc1)C1CCC1 38125602 169322924 /nfs/dbraw/zinc/32/29/24/169322924.db2.gz DMQSOTKXWJNLPH-UHFFFAOYSA-N 0 0 180.272 2.660 10 0 AFAERN O=C(Cc1ccsc1)c1ccco1 38125241 169322936 /nfs/dbraw/zinc/32/29/36/169322936.db2.gz VWPODNHKPGSSRJ-UHFFFAOYSA-N 0 0 192.239 2.767 10 0 AFAERN O=C(Cc1cccs1)CC1CC1 49730909 169322967 /nfs/dbraw/zinc/32/29/67/169322967.db2.gz LHVZADKSUDGMGQ-UHFFFAOYSA-N 0 0 180.272 2.660 10 0 AFAERN O=C(Cc1cccs1)c1ccco1 38125306 169323041 /nfs/dbraw/zinc/32/30/41/169323041.db2.gz PKODAGWTEBERQB-UHFFFAOYSA-N 0 0 192.239 2.767 10 0 AFAERN O=C(Cc1cccc(F)c1)CC1CC1 49730923 169323082 /nfs/dbraw/zinc/32/30/82/169323082.db2.gz KNKPMVOOZOZXOC-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN O=C(Cc1ccccc1)c1ccoc1 38127016 169323114 /nfs/dbraw/zinc/32/31/14/169323114.db2.gz JZCZRSVCBUWUQW-UHFFFAOYSA-N 0 0 186.210 2.705 10 0 AFAERN O=C(C[C@H]1CCCO1)C1CCCCC1 37464089 169323154 /nfs/dbraw/zinc/32/31/54/169323154.db2.gz ZETBVCMMSJQNNQ-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN O=C(Cc1ccco1)c1ccccc1 36372646 169323156 /nfs/dbraw/zinc/32/31/56/169323156.db2.gz GZXPAZDRDZAMAT-UHFFFAOYSA-N 0 0 186.210 2.705 10 0 AFAERN O=C(Cc1cccc(F)c1)C1CCC1 38126727 169323268 /nfs/dbraw/zinc/32/32/68/169323268.db2.gz ILOVWYTXXQEMBO-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN O=C(Cc1ccsc1)CC1CC1 49730898 169323312 /nfs/dbraw/zinc/32/33/12/169323312.db2.gz CREKYKZNAJDFTD-UHFFFAOYSA-N 0 0 180.272 2.660 10 0 AFAERN O=C(Cc1ccc(F)cc1)C1CCC1 38126373 169323359 /nfs/dbraw/zinc/32/33/59/169323359.db2.gz UUAMWVHEASXDEC-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN O=C(NC1CCCCCC1)C1=CCC1 335353815 169327437 /nfs/dbraw/zinc/32/74/37/169327437.db2.gz RCIBDSCMVIYLLV-UHFFFAOYSA-N 0 0 193.290 2.546 10 0 AFAERN O=C(Nc1ccccc1)C1=CC=CC1 39124127 169332702 /nfs/dbraw/zinc/33/27/02/169332702.db2.gz DTIBNNPMAUTQBI-UHFFFAOYSA-N 0 0 185.226 2.511 10 0 AFAERN O=C(Nc1ccco1)C1CCCCC1 143985241 169333890 /nfs/dbraw/zinc/33/38/90/169333890.db2.gz PDXJWIAJGWPYKU-UHFFFAOYSA-N 0 0 193.246 2.798 10 0 AFAERN O=C(c1cc(F)ccc1F)C1CCC1 36157024 169362642 /nfs/dbraw/zinc/36/26/42/169362642.db2.gz WLLFCCKIGQHFEB-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN O=C(c1ccc[nH]1)C1CCCCC1 39647181 169362707 /nfs/dbraw/zinc/36/27/07/169362707.db2.gz CNJQALBVIHWGTB-UHFFFAOYSA-N 0 0 177.247 2.778 10 0 AFAERN O=C(c1ccc(F)cc1)C1(F)CC1 34119775 169362724 /nfs/dbraw/zinc/36/27/24/169362724.db2.gz MKMIWVARHSFMBD-UHFFFAOYSA-N 0 0 182.169 2.511 10 0 AFAERN O=C(c1cc2ccccc2o1)C(F)F 39055237 169362813 /nfs/dbraw/zinc/36/28/13/169362813.db2.gz PYAVTGYPQUCUQI-UHFFFAOYSA-N 0 0 196.152 2.881 10 0 AFAERN OC(=C1CC1(F)F)c1ccccc1 95774634 169362918 /nfs/dbraw/zinc/36/29/18/169362918.db2.gz QPUKVHFVGOACIT-QMMMGPOBSA-N 0 0 182.169 2.525 10 0 AFAERN O=C(c1ccc2c(c1)CCC2)C1CC1 15014323 169362929 /nfs/dbraw/zinc/36/29/29/169362929.db2.gz JGBIEBOGQGHCFS-UHFFFAOYSA-N 0 0 186.254 2.768 10 0 AFAERN O=C(c1ccc(Cl)s1)C1CC1 36156519 169362956 /nfs/dbraw/zinc/36/29/56/169362956.db2.gz OZCIQNAUYFUAHR-UHFFFAOYSA-N 0 0 186.663 2.994 10 0 AFAERN O=C(c1ccccc1)[C@@H]1CCCS1 34534551 169362993 /nfs/dbraw/zinc/36/29/93/169362993.db2.gz NLIHQXJCUHJIAH-JTQLQIEISA-N 0 0 192.283 2.765 10 0 AFAERN O=C(c1ccc(F)cc1)C1(Cl)CC1 34273872 169363061 /nfs/dbraw/zinc/36/30/61/169363061.db2.gz BMTSCMJNZSOWPM-UHFFFAOYSA-N 0 0 198.624 2.780 10 0 AFAERN O=C(c1ccc(F)cc1)c1ccoc1 35368557 169363247 /nfs/dbraw/zinc/36/32/47/169363247.db2.gz UPXSQKAXOFJVFU-UHFFFAOYSA-N 0 0 190.173 2.650 10 0 AFAERN OC(=C1CC1(F)F)c1ccccc1 95774636 169363559 /nfs/dbraw/zinc/36/35/59/169363559.db2.gz QPUKVHFVGOACIT-MRVPVSSYSA-N 0 0 182.169 2.525 10 0 AFAERN O=C(c1ccco1)C1CCCC1 43606560 169363609 /nfs/dbraw/zinc/36/36/09/169363609.db2.gz RZTNVJSRFRHASB-UHFFFAOYSA-N 0 0 164.204 2.653 10 0 AFAERN O=C(c1ccsc1)c1ccco1 43606693 169363622 /nfs/dbraw/zinc/36/36/22/169363622.db2.gz AELPWYAVVJQUKB-UHFFFAOYSA-N 0 0 178.212 2.572 10 0 AFAERN O=C(c1ccccc1)[C@H]1CCCS1 34534552 169363708 /nfs/dbraw/zinc/36/37/08/169363708.db2.gz NLIHQXJCUHJIAH-SNVBAGLBSA-N 0 0 192.283 2.765 10 0 AFAERN O=C(c1ccco1)[C@@H]1C[C@H]2CC[C@@H]1C2 43606724 169363713 /nfs/dbraw/zinc/36/37/13/169363713.db2.gz DZQULUXQVZJACN-IVZWLZJFSA-N 0 0 190.242 2.899 10 0 AFAERN O=C(c1ccccc1)c1ccoc1F 36438346 169363756 /nfs/dbraw/zinc/36/37/56/169363756.db2.gz STQQORWLOBUYFE-UHFFFAOYSA-N 0 0 190.173 2.650 10 0 AFAERN O=C(c1ccccc1Cl)C(F)F 59796751 169363828 /nfs/dbraw/zinc/36/38/28/169363828.db2.gz LKUYWXJFPNOAFZ-UHFFFAOYSA-N 0 0 190.576 2.788 10 0 AFAERN O=C(c1cccs1)C1CCC1 19725781 169363854 /nfs/dbraw/zinc/36/38/54/169363854.db2.gz ATAIVUFFYNDNOH-UHFFFAOYSA-N 0 0 166.245 2.731 10 0 AFAERN O=C(c1ccco1)[C@H]1C[C@H]2CC[C@@H]1C2 43606727 169363907 /nfs/dbraw/zinc/36/39/07/169363907.db2.gz DZQULUXQVZJACN-AEJSXWLSSA-N 0 0 190.242 2.899 10 0 AFAERN O=C(c1ccccc1)c1ccoc1 35368786 169363943 /nfs/dbraw/zinc/36/39/43/169363943.db2.gz SEIJUEFSMOQNKS-UHFFFAOYSA-N 0 0 172.183 2.511 10 0 AFAERN O=C(c1ccccc1O)C1CCCC1 75579748 169363953 /nfs/dbraw/zinc/36/39/53/169363953.db2.gz FHUXPGWBJXGPSP-UHFFFAOYSA-N 0 0 190.242 2.765 10 0 AFAERN O=C(c1ccco1)c1ccccc1F 43606552 169364006 /nfs/dbraw/zinc/36/40/06/169364006.db2.gz HXFLLOKDFRAQKJ-UHFFFAOYSA-N 0 0 190.173 2.650 10 0 AFAERN O=C(c1cncc(F)c1)C1CCCC1 49576085 169364413 /nfs/dbraw/zinc/36/44/13/169364413.db2.gz ZFOUJRKQBZUNSO-UHFFFAOYSA-N 0 0 193.221 2.594 10 0 AFAERN O=C1CC2(CCCC2)C1(Cl)Cl 39112334 169368703 /nfs/dbraw/zinc/36/87/03/169368703.db2.gz NTXMOBZSAOPGOF-UHFFFAOYSA-N 0 0 193.073 2.694 10 0 AFAERN O=C1CCC(c2ccco2)CC1 71495745 169369280 /nfs/dbraw/zinc/36/92/80/169369280.db2.gz IFXPXZQJWYSWLM-UHFFFAOYSA-N 0 0 164.204 2.506 10 0 AFAERN O=C1CC=C(c2ccc(Cl)cc2)O1 1695934 169369373 /nfs/dbraw/zinc/36/93/73/169369373.db2.gz ZZTGFKUHHHBCJI-UHFFFAOYSA-N 0 0 194.617 2.628 10 0 AFAERN O=C1CCC(c2cccs2)CC1 71498520 169369813 /nfs/dbraw/zinc/36/98/13/169369813.db2.gz KHTYLZJZMBSTCN-UHFFFAOYSA-N 0 0 180.272 2.975 10 0 AFAERN O=C1CCC(c2ccccc2O)CC1 169036390 169369838 /nfs/dbraw/zinc/36/98/38/169369838.db2.gz QVXPIKXXHLNRJE-UHFFFAOYSA-N 0 0 190.242 2.619 10 0 AFAERN O=C1CCC(c2ccsc2)CC1 165270884 169369933 /nfs/dbraw/zinc/36/99/33/169369933.db2.gz HUMRJXPODVZFLK-UHFFFAOYSA-N 0 0 180.272 2.975 10 0 AFAERN O=C1CCC2=C(CCCC2)C1 32134577 169370097 /nfs/dbraw/zinc/37/00/97/169370097.db2.gz KMEDIOVHRDQREA-UHFFFAOYSA-N 0 0 150.221 2.610 10 0 AFAERN O=C1CCCC[C@@H]1CC1CCOCC1 52173697 169370243 /nfs/dbraw/zinc/37/02/43/169370243.db2.gz HEBFHEDLGTYPIC-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN O=C1CCCCCN1c1ccccc1 3849534 169370418 /nfs/dbraw/zinc/37/04/18/169370418.db2.gz PPBBOELSIAPOOU-UHFFFAOYSA-N 0 0 189.258 2.594 10 0 AFAERN O=C1CCCCC[C@@H]1C1CC1 18301917 169370452 /nfs/dbraw/zinc/37/04/52/169370452.db2.gz IFPSYUXZFYZWAF-SECBINFHSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1CCCCC[C@H]1C1CC1 18301919 169370574 /nfs/dbraw/zinc/37/05/74/169370574.db2.gz IFPSYUXZFYZWAF-VIFPVBQESA-N 0 0 152.237 2.546 10 0 AFAERN O=C1CCCC[C@@H]2CCC[C@H]12 136257116 169370586 /nfs/dbraw/zinc/37/05/86/169370586.db2.gz LRWIWGKEXZQIPK-BDAKNGLRSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1CCCC[C@@H]1CC(F)(F)F 76603721 169370778 /nfs/dbraw/zinc/37/07/78/169370778.db2.gz NRUHTSNWSXYJEH-ZCFIWIBFSA-N 0 0 180.169 2.698 10 0 AFAERN O=C1CCCC[C@@H]1C(F)(F)Cl 104837624 169370902 /nfs/dbraw/zinc/37/09/02/169370902.db2.gz LIGJPUXPVWEVHO-YFKPBYRVSA-N 0 0 182.597 2.577 10 0 AFAERN O=C1CCCC[C@H](c2ccc[nH]2)C1 21996145 169371075 /nfs/dbraw/zinc/37/10/75/169371075.db2.gz LRRLEMYZDLZJEC-VIFPVBQESA-N 0 0 177.247 2.632 10 0 AFAERN O=C1CCCC[C@@H]1c1cccc(O)c1 75579738 169371094 /nfs/dbraw/zinc/37/10/94/169371094.db2.gz VBYAOSBCIXCHER-LLVKDONJSA-N 0 0 190.242 2.619 10 0 AFAERN O=C1CCCC[C@@H]1c1cccs1 39258823 169371098 /nfs/dbraw/zinc/37/10/98/169371098.db2.gz IDSXYBBGHXJSTR-QMMMGPOBSA-N 0 0 180.272 2.975 10 0 AFAERN O=C1CCCC[C@@H](c2ccc[nH]2)C1 21996142 169371127 /nfs/dbraw/zinc/37/11/27/169371127.db2.gz LRRLEMYZDLZJEC-SECBINFHSA-N 0 0 177.247 2.632 10 0 AFAERN O=C1CCCSc2c(F)cccc21 36928825 169371281 /nfs/dbraw/zinc/37/12/81/169371281.db2.gz AAAYQQWJJVQOCG-UHFFFAOYSA-N 0 0 196.246 2.894 10 0 AFAERN O=C1CCC[C@@H]1Cc1ccc(F)cc1 39148363 169371369 /nfs/dbraw/zinc/37/13/69/169371369.db2.gz CQFFMCUIJWVUSY-SNVBAGLBSA-N 0 0 192.233 2.737 10 0 AFAERN O=C1CCCC[C@H]1c1cccc(O)c1 75579736 169371380 /nfs/dbraw/zinc/37/13/80/169371380.db2.gz VBYAOSBCIXCHER-NSHDSACASA-N 0 0 190.242 2.619 10 0 AFAERN O=C1CCC[C@@H](c2ccsc2)C1 36438192 169371389 /nfs/dbraw/zinc/37/13/89/169371389.db2.gz HXZRGZRUJZSNBX-MRVPVSSYSA-N 0 0 180.272 2.975 10 0 AFAERN O=C1CCCSc2ccccc2N1 34311166 169371495 /nfs/dbraw/zinc/37/14/95/169371495.db2.gz ZIDOPTYCTYZLNQ-UHFFFAOYSA-N 0 0 193.271 2.511 10 0 AFAERN O=C1CCCC[C@H]1CC1CCOCC1 52173695 169371508 /nfs/dbraw/zinc/37/15/08/169371508.db2.gz HEBFHEDLGTYPIC-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN O=C1CCC[C@@H]1Cc1ccccc1F 41205847 169371512 /nfs/dbraw/zinc/37/15/12/169371512.db2.gz SWCGINBOPNNFPS-SNVBAGLBSA-N 0 0 192.233 2.737 10 0 AFAERN O=C1CCCC[C@H]1CC(F)(F)F 76603717 169371716 /nfs/dbraw/zinc/37/17/16/169371716.db2.gz NRUHTSNWSXYJEH-LURJTMIESA-N 0 0 180.169 2.698 10 0 AFAERN O=C1CCC[C@@H]1C1CCCCC1 60710769 169371787 /nfs/dbraw/zinc/37/17/87/169371787.db2.gz CSXMWMLCXGPFBE-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CCCCc2sccc21 39209529 169371821 /nfs/dbraw/zinc/37/18/21/169371821.db2.gz VJXXPASWWIYOEK-UHFFFAOYSA-N 0 0 166.245 2.657 10 0 AFAERN O=C1CCCC[C@H]1C(F)(F)Cl 104837622 169371823 /nfs/dbraw/zinc/37/18/23/169371823.db2.gz LIGJPUXPVWEVHO-RXMQYKEDSA-N 0 0 182.597 2.577 10 0 AFAERN O=C1CCC[C@@H](c2cccs2)C1 70737473 169371866 /nfs/dbraw/zinc/37/18/66/169371866.db2.gz AARCXTPUFVSKNF-MRVPVSSYSA-N 0 0 180.272 2.975 10 0 AFAERN O=C1CCC[C@@H]1CC1CCCC1 44379696 169371901 /nfs/dbraw/zinc/37/19/01/169371901.db2.gz ZNBUWHBIAFKSNM-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CCC[C@@H]([C@H]2CCCCC2=O)C1 62720221 169371913 /nfs/dbraw/zinc/37/19/13/169371913.db2.gz WXQNDHIQRUONRP-MWLCHTKSSA-N 0 0 194.274 2.505 10 0 AFAERN O=C1CCCSc2ccc(F)cc21 34406009 169371928 /nfs/dbraw/zinc/37/19/28/169371928.db2.gz SPWQZGVAQSITPA-UHFFFAOYSA-N 0 0 196.246 2.894 10 0 AFAERN O=C1CCC[C@@H]([C@@H]2CCCCC2=O)C1 62720219 169371964 /nfs/dbraw/zinc/37/19/64/169371964.db2.gz WXQNDHIQRUONRP-KOLCDFICSA-N 0 0 194.274 2.505 10 0 AFAERN O=C1CCCC[C@H]1c1cccs1 39258822 169372049 /nfs/dbraw/zinc/37/20/49/169372049.db2.gz IDSXYBBGHXJSTR-MRVPVSSYSA-N 0 0 180.272 2.975 10 0 AFAERN O=C1CCC[C@@H]1Cc1cccc(F)c1 42397342 169372117 /nfs/dbraw/zinc/37/21/17/169372117.db2.gz BNHBTWBFJJEPMT-SNVBAGLBSA-N 0 0 192.233 2.737 10 0 AFAERN O=C1CCC[C@@H]1Cc1ccsc1 42397384 169372127 /nfs/dbraw/zinc/37/21/27/169372127.db2.gz FYWVWPUDIVOQRZ-SECBINFHSA-N 0 0 180.272 2.660 10 0 AFAERN O=C1CCC[C@@H]1Cc1cccs1 42397264 169372176 /nfs/dbraw/zinc/37/21/76/169372176.db2.gz UQFSMYUCQIPEQY-MRVPVSSYSA-N 0 0 180.272 2.660 10 0 AFAERN O=C1CCC[C@H]1Cc1cccs1 42397262 169372385 /nfs/dbraw/zinc/37/23/85/169372385.db2.gz UQFSMYUCQIPEQY-QMMMGPOBSA-N 0 0 180.272 2.660 10 0 AFAERN O=C1CCCc2c1oc1ccccc21 39017907 169372427 /nfs/dbraw/zinc/37/24/27/169372427.db2.gz VUPILRSAWMNLCE-UHFFFAOYSA-N 0 0 186.210 2.952 10 0 AFAERN O=C1CCC[C@H](c2cccs2)C1 70737475 169372564 /nfs/dbraw/zinc/37/25/64/169372564.db2.gz AARCXTPUFVSKNF-QMMMGPOBSA-N 0 0 180.272 2.975 10 0 AFAERN O=C1CCC[C@H]1C1CCCCC1 60710766 169372567 /nfs/dbraw/zinc/37/25/67/169372567.db2.gz CSXMWMLCXGPFBE-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CCC[C@H]1SCc1ccco1 35183462 169372665 /nfs/dbraw/zinc/37/26/65/169372665.db2.gz ARWDIZACDJTQIO-SNVBAGLBSA-N 0 0 196.271 2.634 10 0 AFAERN O=C1CCC[C@H]([C@@H]2CCCCC2=O)C1 62720222 169372682 /nfs/dbraw/zinc/37/26/82/169372682.db2.gz WXQNDHIQRUONRP-ONGXEEELSA-N 0 0 194.274 2.505 10 0 AFAERN O=C1CCC[C@H]1Cc1ccccc1F 41205846 169372708 /nfs/dbraw/zinc/37/27/08/169372708.db2.gz SWCGINBOPNNFPS-JTQLQIEISA-N 0 0 192.233 2.737 10 0 AFAERN O=C1CCC[C@H]1Cc1cccc(F)c1 42397338 169372777 /nfs/dbraw/zinc/37/27/77/169372777.db2.gz BNHBTWBFJJEPMT-JTQLQIEISA-N 0 0 192.233 2.737 10 0 AFAERN O=C1CCC[C@H]([C@H]2CCCCC2=O)C1 62720225 169372785 /nfs/dbraw/zinc/37/27/85/169372785.db2.gz WXQNDHIQRUONRP-GXSJLCMTSA-N 0 0 194.274 2.505 10 0 AFAERN O=C1CCCc2cc3c(cc21)CCC3 39258713 169372843 /nfs/dbraw/zinc/37/28/43/169372843.db2.gz CMZDMCMIJCFICB-UHFFFAOYSA-N 0 0 186.254 2.694 10 0 AFAERN O=C1CCCc2nc(C3CC3)sc21 50329669 169372901 /nfs/dbraw/zinc/37/29/01/169372901.db2.gz UFDNUMATRQOAPF-UHFFFAOYSA-N 0 0 193.271 2.540 10 0 AFAERN O=C1CCC[C@H]1Cc1ccc(F)cc1 39148362 169372948 /nfs/dbraw/zinc/37/29/48/169372948.db2.gz CQFFMCUIJWVUSY-JTQLQIEISA-N 0 0 192.233 2.737 10 0 AFAERN O=C1CCC[C@H]1Sc1cccs1 37353091 169373017 /nfs/dbraw/zinc/37/30/17/169373017.db2.gz NYSXKEQTLWSDPF-MRVPVSSYSA-N 0 0 198.312 2.962 10 0 AFAERN O=C1CCC[C@@H]1Sc1cccs1 37353093 169373073 /nfs/dbraw/zinc/37/30/73/169373073.db2.gz NYSXKEQTLWSDPF-QMMMGPOBSA-N 0 0 198.312 2.962 10 0 AFAERN O=C1CCC[C@H]1Cc1ccsc1 42397381 169373102 /nfs/dbraw/zinc/37/31/02/169373102.db2.gz FYWVWPUDIVOQRZ-VIFPVBQESA-N 0 0 180.272 2.660 10 0 AFAERN O=C1CCC[C@@H]1SCc1ccco1 35183463 169373151 /nfs/dbraw/zinc/37/31/51/169373151.db2.gz ARWDIZACDJTQIO-JTQLQIEISA-N 0 0 196.271 2.634 10 0 AFAERN O=C1CCCc2oc3ccccc3c21 2385738 169373999 /nfs/dbraw/zinc/37/39/99/169373999.db2.gz AVGBRRURGOWLFS-UHFFFAOYSA-N 0 0 186.210 2.952 10 0 AFAERN O=C1CC[C@H](CC2CCCC2)C1 38880981 169375280 /nfs/dbraw/zinc/37/52/80/169375280.db2.gz HSEUKBSUPGSXIF-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CC[C@@H]2CCCCC[C@@H]2C1 76595635 169375548 /nfs/dbraw/zinc/37/55/48/169375548.db2.gz MUAXSDQDUKMMCE-VHSXEESVSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CC[C@@H]2CCCCC[C@H]2C1 76595628 169375644 /nfs/dbraw/zinc/37/56/44/169375644.db2.gz MUAXSDQDUKMMCE-UWVGGRQHSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CC[C@@H](c2ccccc2)N=N1 15446335 169375757 /nfs/dbraw/zinc/37/57/57/169375757.db2.gz NTSSVFKBNKWUBY-VIFPVBQESA-N 0 0 174.203 2.500 10 0 AFAERN O=C1CC[C@@H]2CCC[C@H]2CC1 62715699 169375785 /nfs/dbraw/zinc/37/57/85/169375785.db2.gz ZZDRODAWMAJUHT-IUCAKERBSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1CC[C@H](C2CCCCC2)C1 38251193 169375835 /nfs/dbraw/zinc/37/58/35/169375835.db2.gz ZKWXHMQLBLFZHP-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CC[C@@H](c2ccc(F)cc2F)C1 70738594 169375838 /nfs/dbraw/zinc/37/58/38/169375838.db2.gz QVANSXKAIJJOMK-SSDOTTSWSA-N 0 0 196.196 2.801 10 0 AFAERN O=C1CC[C@@H](F)c2ccccc21 39089056 169375864 /nfs/dbraw/zinc/37/58/64/169375864.db2.gz MKAZGXXNMQXNRR-SECBINFHSA-N 0 0 164.179 2.674 10 0 AFAERN O=C1CC[C@@H]2CCC[C@@H]2CC1 62715697 169375867 /nfs/dbraw/zinc/37/58/67/169375867.db2.gz ZZDRODAWMAJUHT-DTORHVGOSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1CC[C@@H](c2cccs2)C1 32006412 169375898 /nfs/dbraw/zinc/37/58/98/169375898.db2.gz FXIMYVIUCZMPMA-SSDOTTSWSA-N 0 0 166.245 2.585 10 0 AFAERN O=C1CC[C@@H](c2cc(F)ccc2F)C1 70738426 169375911 /nfs/dbraw/zinc/37/59/11/169375911.db2.gz LYPMPWKEWPEBBI-SSDOTTSWSA-N 0 0 196.196 2.801 10 0 AFAERN O=C1CC[C@@H]2CCCc3occ1c32 104838699 169375966 /nfs/dbraw/zinc/37/59/66/169375966.db2.gz CSAFWBWSBOFZPV-ZETCQYMHSA-N 0 0 176.215 2.676 10 0 AFAERN O=C1CC[C@@H](c2ccc(F)c(F)c2)C1 70738493 169376027 /nfs/dbraw/zinc/37/60/27/169376027.db2.gz PDXINQUXFQHTGZ-SSDOTTSWSA-N 0 0 196.196 2.801 10 0 AFAERN O=C1CC[C@H](c2cc(F)ccc2F)C1 70738427 169376158 /nfs/dbraw/zinc/37/61/58/169376158.db2.gz LYPMPWKEWPEBBI-ZETCQYMHSA-N 0 0 196.196 2.801 10 0 AFAERN O=C1CC[C@H]2CCCCC[C@@H]2C1 76595631 169376216 /nfs/dbraw/zinc/37/62/16/169376216.db2.gz MUAXSDQDUKMMCE-NXEZZACHSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CC[C@H]2CCCCC[C@H]2C1 76595625 169376390 /nfs/dbraw/zinc/37/63/90/169376390.db2.gz MUAXSDQDUKMMCE-ZJUUUORDSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CC[C@H](F)c2ccccc21 39089057 169376408 /nfs/dbraw/zinc/37/64/08/169376408.db2.gz MKAZGXXNMQXNRR-VIFPVBQESA-N 0 0 164.179 2.674 10 0 AFAERN O=C1CC[C@H](c2cccs2)C1 32006415 169376487 /nfs/dbraw/zinc/37/64/87/169376487.db2.gz FXIMYVIUCZMPMA-ZETCQYMHSA-N 0 0 166.245 2.585 10 0 AFAERN O=C1CCc2c(Cl)csc21 34539908 169376499 /nfs/dbraw/zinc/37/64/99/169376499.db2.gz GCIQIBHCYCRRHP-UHFFFAOYSA-N 0 0 172.636 2.530 10 0 AFAERN O=C1CC[C@H](c2ccc(F)cc2F)C1 70738597 169376505 /nfs/dbraw/zinc/37/65/05/169376505.db2.gz QVANSXKAIJJOMK-ZETCQYMHSA-N 0 0 196.196 2.801 10 0 AFAERN O=C1CCc2c1ccc1c2CCCC1 32222864 169376538 /nfs/dbraw/zinc/37/65/38/169376538.db2.gz YLHSBLAMTJNXSW-UHFFFAOYSA-N 0 0 186.254 2.694 10 0 AFAERN O=C1CC[C@H]2CCCc3occ1c32 104838695 169376602 /nfs/dbraw/zinc/37/66/02/169376602.db2.gz CSAFWBWSBOFZPV-SSDOTTSWSA-N 0 0 176.215 2.676 10 0 AFAERN O=C1CC[C@H](c2ccccc2)N=N1 15446336 169376678 /nfs/dbraw/zinc/37/66/78/169376678.db2.gz NTSSVFKBNKWUBY-SECBINFHSA-N 0 0 174.203 2.500 10 0 AFAERN O=C1CC[C@H]2CCC[C@@H]2CC1 62715701 169376701 /nfs/dbraw/zinc/37/67/01/169376701.db2.gz ZZDRODAWMAJUHT-RKDXNWHRSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1CCc2c(ccc3ccccc23)N1 13560909 169376723 /nfs/dbraw/zinc/37/67/23/169376723.db2.gz LHCKFPGWBPBOKG-UHFFFAOYSA-N 0 0 197.237 2.725 10 0 AFAERN O=C1CC[C@H](c2ccc(F)c(F)c2)C1 70738495 169376739 /nfs/dbraw/zinc/37/67/39/169376739.db2.gz PDXINQUXFQHTGZ-ZETCQYMHSA-N 0 0 196.196 2.801 10 0 AFAERN O=C1CC[C@H](Sc2ccccc2)C1 39112293 169376816 /nfs/dbraw/zinc/37/68/16/169376816.db2.gz ZNDRUNFYLFHRGD-NSHDSACASA-N 0 0 192.283 2.900 10 0 AFAERN O=C1CCc2cc(Cl)sc21 34539910 169377560 /nfs/dbraw/zinc/37/75/60/169377560.db2.gz KKLFZWDLTAANCZ-UHFFFAOYSA-N 0 0 172.636 2.530 10 0 AFAERN O=C1CCc2cc3c(cc21)CCCC3 39038957 169377642 /nfs/dbraw/zinc/37/76/42/169377642.db2.gz YHVCHQWGPIBKAI-UHFFFAOYSA-N 0 0 186.254 2.694 10 0 AFAERN O=C1CCc2ccc3ccccc3c2O1 13560907 169377881 /nfs/dbraw/zinc/37/78/81/169377881.db2.gz IJUBCYZYZZVONT-UHFFFAOYSA-N 0 0 198.221 2.691 10 0 AFAERN O=C1C[C@@H](C2CCCCC2)CCO1 5133667 169380683 /nfs/dbraw/zinc/38/06/83/169380683.db2.gz ZRQYQZPQEMHNPP-JTQLQIEISA-N 0 0 182.263 2.520 10 0 AFAERN O=C1C[C@@H]2CCC[C@@H]2C1(Cl)Cl 39112320 169381339 /nfs/dbraw/zinc/38/13/39/169381339.db2.gz BEHHEDHELWJQFQ-WDSKDSINSA-N 0 0 193.073 2.549 10 0 AFAERN O=C1C[C@@H](n2cccc2)c2ccccc21 39112600 169381386 /nfs/dbraw/zinc/38/13/86/169381386.db2.gz CVKDZQOCLFSRQP-GFCCVEGCSA-N 0 0 197.237 2.664 10 0 AFAERN O=C1C[C@@H]2CCCCCC[C@H]12 38234005 169381492 /nfs/dbraw/zinc/38/14/92/169381492.db2.gz LUUDIRUOWPYQDO-IUCAKERBSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1C[C@@H](c2ccccc2)n2cccc21 5834812 169381621 /nfs/dbraw/zinc/38/16/21/169381621.db2.gz SORGYBPGEGZLST-LBPRGKRZSA-N 0 0 197.237 2.664 10 0 AFAERN O=C1C[C@@H]2CCCCCC[C@@H]12 38234004 169381657 /nfs/dbraw/zinc/38/16/57/169381657.db2.gz LUUDIRUOWPYQDO-DTWKUNHWSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1C[C@@H]2CCC[C@H]2C1(Cl)Cl 39112317 169381820 /nfs/dbraw/zinc/38/18/20/169381820.db2.gz BEHHEDHELWJQFQ-NTSWFWBYSA-N 0 0 193.073 2.549 10 0 AFAERN O=C1C[C@H](c2ccccc2)n2cccc21 1650438 169382484 /nfs/dbraw/zinc/38/24/84/169382484.db2.gz SORGYBPGEGZLST-GFCCVEGCSA-N 0 0 197.237 2.664 10 0 AFAERN O=C1C[C@H](C2CCCCC2)CCO1 5133664 169382583 /nfs/dbraw/zinc/38/25/83/169382583.db2.gz ZRQYQZPQEMHNPP-SNVBAGLBSA-N 0 0 182.263 2.520 10 0 AFAERN O=C1C[C@H]2CCC[C@@H]2C1(Cl)Cl 39112319 169383079 /nfs/dbraw/zinc/38/30/79/169383079.db2.gz BEHHEDHELWJQFQ-RITPCOANSA-N 0 0 193.073 2.549 10 0 AFAERN O=C1C[C@H]2CCCCCC[C@@H]12 38234006 169383302 /nfs/dbraw/zinc/38/33/02/169383302.db2.gz LUUDIRUOWPYQDO-RKDXNWHRSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1C[C@H](n2cccc2)c2ccccc21 39112601 169383419 /nfs/dbraw/zinc/38/34/19/169383419.db2.gz CVKDZQOCLFSRQP-LBPRGKRZSA-N 0 0 197.237 2.664 10 0 AFAERN O=C1C[C@H]2CCCCCC[C@H]12 38234007 169383478 /nfs/dbraw/zinc/38/34/78/169383478.db2.gz LUUDIRUOWPYQDO-BDAKNGLRSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1C[C@H]2CCC[C@H]2C1(Cl)Cl 39112316 169383483 /nfs/dbraw/zinc/38/34/83/169383483.db2.gz BEHHEDHELWJQFQ-PHDIDXHHSA-N 0 0 193.073 2.549 10 0 AFAERN O=C1Cc2cc(Cl)ccc2S1 39224213 169384234 /nfs/dbraw/zinc/38/42/34/169384234.db2.gz JPABYTGKHUGVBB-UHFFFAOYSA-N 0 0 184.647 2.515 10 0 AFAERN O=C1Nc2ccccc2C1=C1CCCC1 34497560 169390384 /nfs/dbraw/zinc/39/03/84/169390384.db2.gz DNCVSZQTHQLJDJ-UHFFFAOYSA-N 0 0 199.253 2.966 10 0 AFAERN O=C1OC2(CCCC2)c2ccccc21 2383350 169390691 /nfs/dbraw/zinc/39/06/91/169390691.db2.gz QKLSNEUUBSCPLL-UHFFFAOYSA-N 0 0 188.226 2.626 10 0 AFAERN O=C1c2ccccc2CCC12CC2 71489019 169393210 /nfs/dbraw/zinc/39/32/10/169393210.db2.gz YIQQHCWIUUJVRK-UHFFFAOYSA-N 0 0 172.227 2.596 10 0 AFAERN O=C1c2cc(F)ccc2CCC12CC2 71489029 169393272 /nfs/dbraw/zinc/39/32/72/169393272.db2.gz CSGVXZVJADQTQA-UHFFFAOYSA-N 0 0 190.217 2.735 10 0 AFAERN O=C1c2cccc(F)c2CCC12CC2 71489078 169393477 /nfs/dbraw/zinc/39/34/77/169393477.db2.gz PNPGQNWBDZQZPF-UHFFFAOYSA-N 0 0 190.217 2.735 10 0 AFAERN O=C1c2cccc(Cl)c2CC12CC2 71489073 169393746 /nfs/dbraw/zinc/39/37/46/169393746.db2.gz KALVDEHOMBEVII-UHFFFAOYSA-N 0 0 192.645 2.859 10 0 AFAERN O=C1c2ccsc2CCC12CC2 71489043 169394129 /nfs/dbraw/zinc/39/41/29/169394129.db2.gz ALQUHYKOTQZZLW-UHFFFAOYSA-N 0 0 178.256 2.657 10 0 AFAERN O=C1c2ccccc2OC12CCCC2 34427632 169394165 /nfs/dbraw/zinc/39/41/65/169394165.db2.gz GWRNCFNBUZVZAB-UHFFFAOYSA-N 0 0 188.226 2.575 10 0 AFAERN O=CN/C=C/c1cccc2ccccc12 169335715 169397493 /nfs/dbraw/zinc/39/74/93/169397493.db2.gz RFFJMEBQUDEPMF-CMDGGOBGSA-N 0 0 197.237 2.557 10 0 AFAERN O=CN/C=C/c1ccc2ccccc2c1 169335713 169397804 /nfs/dbraw/zinc/39/78/04/169397804.db2.gz YALQYUNLOKRBFO-BQYQJAHWSA-N 0 0 197.237 2.557 10 0 AFAERN O=CN(C1CCCCC1)C1CCCC1 13779489 169397851 /nfs/dbraw/zinc/39/78/51/169397851.db2.gz SDUAKSCDDYDRRV-UHFFFAOYSA-N 0 0 195.306 2.720 10 0 AFAERN O=CNc1c(Cl)cccc1Cl 23993731 169399354 /nfs/dbraw/zinc/39/93/54/169399354.db2.gz CMRLEIHOFQKMCW-UHFFFAOYSA-N 0 0 190.029 2.562 10 0 AFAERN O=CNc1ccc(-c2ccccc2)cc1 1652197 169399453 /nfs/dbraw/zinc/39/94/53/169399453.db2.gz RFNHQPIILLWXNP-UHFFFAOYSA-N 0 0 197.237 2.922 10 0 AFAERN O=CSc1nc2ccccc2s1 45235675 169399695 /nfs/dbraw/zinc/39/96/95/169399695.db2.gz NDVPBWSNPLRAGV-UHFFFAOYSA-N 0 0 195.268 2.579 10 0 AFAERN O=Cc1[nH]c2c(F)cccc2c1Cl 82384768 169401014 /nfs/dbraw/zinc/40/10/14/169401014.db2.gz YVCAVBFKQYEPLW-UHFFFAOYSA-N 0 0 197.596 2.773 10 0 AFAERN O=Cc1c(Cl)cccc1OC1CC1 95738281 169402060 /nfs/dbraw/zinc/40/20/60/169402060.db2.gz PXGOJKLTBJSQJD-UHFFFAOYSA-N 0 0 196.633 2.694 10 0 AFAERN O=Cc1c(Cl)ccc2cnccc12 96859278 169402110 /nfs/dbraw/zinc/40/21/10/169402110.db2.gz AWVKZBMTXRUONW-UHFFFAOYSA-N 0 0 191.617 2.701 10 0 AFAERN O=Cc1c(F)c(F)cc2ccoc12 82395547 169402532 /nfs/dbraw/zinc/40/25/32/169402532.db2.gz GCAPLSGERSXQPW-UHFFFAOYSA-N 0 0 182.125 2.524 10 0 AFAERN O=Cc1cc2c(Cl)cncc2s1 30677825 169403279 /nfs/dbraw/zinc/40/32/79/169403279.db2.gz KGCBQYKKSYFGDB-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN O=Cc1cc(Cl)cc2cnccc12 96859279 169403301 /nfs/dbraw/zinc/40/33/01/169403301.db2.gz ITJYULQYQGGGJJ-UHFFFAOYSA-N 0 0 191.617 2.701 10 0 AFAERN O=Cc1cc(C2CCCC2)co1 82404327 169403547 /nfs/dbraw/zinc/40/35/47/169403547.db2.gz QBNAMUMANXHWMA-UHFFFAOYSA-N 0 0 164.204 2.750 10 0 AFAERN O=Cc1cc2cc(Cl)ncc2s1 82384742 169404180 /nfs/dbraw/zinc/40/41/80/169404180.db2.gz OTJDJAIJIRSGTE-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN O=Cc1cc2cc(F)cc(F)c2o1 82395548 169404343 /nfs/dbraw/zinc/40/43/43/169404343.db2.gz FOSNHXNDKKGFHZ-UHFFFAOYSA-N 0 0 182.125 2.524 10 0 AFAERN O=Cc1ccc2cocc2c1Cl 82396257 169404819 /nfs/dbraw/zinc/40/48/19/169404819.db2.gz SFILJXXKAYJYIC-UHFFFAOYSA-N 0 0 180.590 2.899 10 0 AFAERN O=Cc1ccc2ccoc2c1Cl 82396262 169404845 /nfs/dbraw/zinc/40/48/45/169404845.db2.gz YVVBJVCHHRTHSA-UHFFFAOYSA-N 0 0 180.590 2.899 10 0 AFAERN O=Cc1ccc2[nH]cc(Cl)c2c1 82396842 169404989 /nfs/dbraw/zinc/40/49/89/169404989.db2.gz VHVCRLVEBSGUEZ-UHFFFAOYSA-N 0 0 179.606 2.634 10 0 AFAERN O=Cc1ccc(OC2CC2)cc1Cl 95741488 169405282 /nfs/dbraw/zinc/40/52/82/169405282.db2.gz PNLVLALGUZAPSC-UHFFFAOYSA-N 0 0 196.633 2.694 10 0 AFAERN O=Cc1ccc2[nH]ccc2c1Cl 82396845 169405291 /nfs/dbraw/zinc/40/52/91/169405291.db2.gz PFTBRSFZBYYEKD-UHFFFAOYSA-N 0 0 179.606 2.634 10 0 AFAERN O=Cc1cccc(-c2ccccc2O)c1 16948291 169405625 /nfs/dbraw/zinc/40/56/25/169405625.db2.gz CEJNWQOCHOWIBY-UHFFFAOYSA-N 0 0 198.221 2.872 10 0 AFAERN O=Cc1cnc2c(Cl)cccc2c1 82389174 169406244 /nfs/dbraw/zinc/40/62/44/169406244.db2.gz MKXGLAFANSIMKD-UHFFFAOYSA-N 0 0 191.617 2.701 10 0 AFAERN O=Cc1nc(-c2ccsc2)cs1 61798517 169407219 /nfs/dbraw/zinc/40/72/19/169407219.db2.gz POBNYPDTMBAJCL-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN O=Cc1nc2cc3ccccc3cc2[nH]1 95923180 169407846 /nfs/dbraw/zinc/40/78/46/169407846.db2.gz DDETXIFZMCRHJB-UHFFFAOYSA-N 0 0 196.209 2.529 10 0 AFAERN O=Cc1occc1-c1ccccc1 75562108 169407859 /nfs/dbraw/zinc/40/78/59/169407859.db2.gz SWUBGVMYWFGERZ-UHFFFAOYSA-N 0 0 172.183 2.759 10 0 AFAERN O=Cc1sc2ccccc2c1C=O 38887079 169408137 /nfs/dbraw/zinc/40/81/37/169408137.db2.gz VTZUYVQTGCJXFL-UHFFFAOYSA-N 0 0 190.223 2.526 10 0 AFAERN O=NC12CC3CC(C1)CC(N=O)(C3)C2 5187812 169408301 /nfs/dbraw/zinc/40/83/01/169408301.db2.gz NAVUOOISTNZNES-UHFFFAOYSA-N 0 0 194.234 2.611 10 0 AFAERN O=Nc1coc2ccccc12 6117730 169408699 /nfs/dbraw/zinc/40/86/99/169408699.db2.gz AMFRSVRADISJSB-UHFFFAOYSA-N 0 0 147.133 2.831 10 0 AFAERN O=Nc1ccc2ccccc2n1 73159234 169409169 /nfs/dbraw/zinc/40/91/69/169409169.db2.gz GJHVUNPZKRIADK-UHFFFAOYSA-N 0 0 158.160 2.633 10 0 AFAERN O=c1ccc2cc(Cl)cc(F)c2o1 75882728 169419962 /nfs/dbraw/zinc/41/99/62/169419962.db2.gz CDXSQZFYDMQWRZ-UHFFFAOYSA-N 0 0 198.580 2.586 10 0 AFAERN OC1CC(c2ccc(Cl)cc2)C1 37461721 169422439 /nfs/dbraw/zinc/42/24/39/169422439.db2.gz CTVLRDXCHXTXHT-UHFFFAOYSA-N 0 0 182.650 2.578 10 0 AFAERN OCCCCNc1cccc(Cl)c1 43445364 169424826 /nfs/dbraw/zinc/42/48/26/169424826.db2.gz NPSOFCJAJCXCNF-UHFFFAOYSA-N 0 0 199.681 2.524 10 0 AFAERN OCC[C@@H]1CCCc2ccc(F)cc21 41206674 169429270 /nfs/dbraw/zinc/42/92/70/169429270.db2.gz NRECZYUODHMXJK-JTQLQIEISA-N 0 0 194.249 2.628 10 0 AFAERN OCc1cc(-c2cccs2)cs1 37180242 169437741 /nfs/dbraw/zinc/43/77/41/169437741.db2.gz WJDICGPLKHELCH-UHFFFAOYSA-N 0 0 196.296 2.969 10 0 AFAERN OCc1ccc(/C=C/c2ccco2)o1 205439347 169438711 /nfs/dbraw/zinc/43/87/11/169438711.db2.gz LWBKYLNKYXZZJA-ONEGZZNKSA-N 0 0 190.198 2.535 10 0 AFAERN OCc1cc2ccc(Cl)cc2o1 95626856 169438953 /nfs/dbraw/zinc/43/89/53/169438953.db2.gz RSGHWMDNXKGGKG-UHFFFAOYSA-N 0 0 182.606 2.579 10 0 AFAERN OCc1cccc2c1[nH]c1ccccc12 34590013 169439639 /nfs/dbraw/zinc/43/96/39/169439639.db2.gz NGMRNYIREGOYQZ-UHFFFAOYSA-N 0 0 197.237 2.813 10 0 AFAERN OCc1ccccc1OC1CCCC1 9280647 169439888 /nfs/dbraw/zinc/43/98/88/169439888.db2.gz DYGFGEMENDAXQZ-UHFFFAOYSA-N 0 0 192.258 2.500 10 0 AFAERN OCc1csc2cc(F)ccc12 95078378 169440511 /nfs/dbraw/zinc/44/05/11/169440511.db2.gz ODBCDUVAQPVIBN-UHFFFAOYSA-N 0 0 182.219 2.533 10 0 AFAERN O[C@@H](Cc1ccccc1)C1=CCCC1 50329314 169442687 /nfs/dbraw/zinc/44/26/87/169442687.db2.gz YVQNCEUQPZVFFO-ZDUSSCGKSA-N 0 0 188.270 2.700 10 0 AFAERN O[C@@H](c1ccco1)C1CCCC1 32006384 169442741 /nfs/dbraw/zinc/44/27/41/169442741.db2.gz CSMQTGREJLKIEX-SNVBAGLBSA-N 0 0 166.220 2.503 10 0 AFAERN O[C@@H](Cc1ccccc1)c1ccco1 38811855 169442928 /nfs/dbraw/zinc/44/29/28/169442928.db2.gz PPQDAVYKMNUKCV-NSHDSACASA-N 0 0 188.226 2.556 10 0 AFAERN O[C@@H](c1ccc2c(c1)CCC2)C1CC1 36156537 169443070 /nfs/dbraw/zinc/44/30/70/169443070.db2.gz NTNWVAJKWYCXNI-CYBMUJFWSA-N 0 0 188.270 2.619 10 0 AFAERN O[C@@H](c1cccs1)C1CCC1 36156216 169443095 /nfs/dbraw/zinc/44/30/95/169443095.db2.gz DONGCMGUGCOAOS-SECBINFHSA-N 0 0 168.261 2.582 10 0 AFAERN O[C@@H](c1ccco1)c1ccccc1F 41205809 169443261 /nfs/dbraw/zinc/44/32/61/169443261.db2.gz KZVRYKACUNLNRC-LLVKDONJSA-N 0 0 192.189 2.500 10 0 AFAERN O[C@@H](c1cc(F)ccc1F)C1CCC1 36157126 169443383 /nfs/dbraw/zinc/44/33/83/169443383.db2.gz IILGGOWPEXQFCD-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN O[C@@H]1CCC[C@@H]1Cc1cccc(F)c1 44469622 169443620 /nfs/dbraw/zinc/44/36/20/169443620.db2.gz HPTIYVMTBUCKCW-ZYHUDNBSSA-N 0 0 194.249 2.529 10 0 AFAERN O[C@@H]1CCCOc2ccc(Cl)cc21 62568411 169443768 /nfs/dbraw/zinc/44/37/68/169443768.db2.gz GGCKRXMODOTYAT-SECBINFHSA-N 0 0 198.649 2.546 10 0 AFAERN O[C@@H]1CCCC[C@@H]1OC1CCCCC1 33605753 169443843 /nfs/dbraw/zinc/44/38/43/169443843.db2.gz GBQDQIHYVCMANU-NEPJUHHUSA-N 0 0 198.306 2.639 10 0 AFAERN O[C@@H]1CCc2c1ccc1ccccc21 42405537 169445914 /nfs/dbraw/zinc/44/59/14/169445914.db2.gz OILJRBUAWLPLRD-CYBMUJFWSA-N 0 0 184.238 2.819 10 0 AFAERN O[C@@H]1CC[C@H]2CCCCC[C@H]2C1 76596818 169446307 /nfs/dbraw/zinc/44/63/07/169446307.db2.gz DVAMMVKOCADBBG-OUAUKWLOSA-N 0 0 168.280 2.728 10 0 AFAERN O[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 57490149 169446435 /nfs/dbraw/zinc/44/64/35/169446435.db2.gz BGWOXXPNBWFRKL-GXSJLCMTSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@H](C1=CCCCC1)c1ccoc1 50328881 169448325 /nfs/dbraw/zinc/44/83/25/169448325.db2.gz RSYAFVORDMKBPN-LLVKDONJSA-N 0 0 178.231 2.813 10 0 AFAERN O[C@H](CC1CC1)c1cccs1 49731769 169448508 /nfs/dbraw/zinc/44/85/08/169448508.db2.gz LXDDICFATASEPW-MRVPVSSYSA-N 0 0 168.261 2.582 10 0 AFAERN O[C@H](CC1CC1)c1ccc(F)cc1 49731686 169448517 /nfs/dbraw/zinc/44/85/17/169448517.db2.gz YPTNOTGHXFPULR-LLVKDONJSA-N 0 0 180.222 2.659 10 0 AFAERN O[C@H](CC1CC1)c1ccc(F)c(F)c1 49731816 169448625 /nfs/dbraw/zinc/44/86/25/169448625.db2.gz AVEBIEXSXCYGIJ-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN O[C@@]1(C2CC2)CCCc2ccccc21 38434599 169448701 /nfs/dbraw/zinc/44/87/01/169448701.db2.gz JITJWOMXZFBIHS-CYBMUJFWSA-N 0 0 188.270 2.621 10 0 AFAERN O[C@H](Cc1ccccc1Cl)C1CC1 32009445 169448911 /nfs/dbraw/zinc/44/89/11/169448911.db2.gz WWRDKCZSXLEEIY-LLVKDONJSA-N 0 0 196.677 2.653 10 0 AFAERN O[C@H](Cc1ccc(Cl)cc1)C1CC1 32009452 169448925 /nfs/dbraw/zinc/44/89/25/169448925.db2.gz FIXHJYQZRMODGI-LLVKDONJSA-N 0 0 196.677 2.653 10 0 AFAERN O[C@H](Cc1ccco1)c1ccccc1 21990969 169449144 /nfs/dbraw/zinc/44/91/44/169449144.db2.gz VKTAFEHMHABLII-GFCCVEGCSA-N 0 0 188.226 2.556 10 0 AFAERN O[C@H](c1ccc2c(c1)CCC2)C1CC1 36156539 169449308 /nfs/dbraw/zinc/44/93/08/169449308.db2.gz NTNWVAJKWYCXNI-ZDUSSCGKSA-N 0 0 188.270 2.619 10 0 AFAERN O[C@H](c1ccc(F)c(F)c1)C1CCC1 36157116 169449692 /nfs/dbraw/zinc/44/96/92/169449692.db2.gz JXIIKEIKBONONN-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN O[C@H](c1ccc(F)cc1)c1ccoc1 40243796 169449712 /nfs/dbraw/zinc/44/97/12/169449712.db2.gz IFGFWZMNSUIGAF-LLVKDONJSA-N 0 0 192.189 2.500 10 0 AFAERN O[C@H](c1ccccc1)c1ccsc1 15781377 169449809 /nfs/dbraw/zinc/44/98/09/169449809.db2.gz JHODTSHRBQFXAJ-LLVKDONJSA-N 0 0 190.267 2.830 10 0 AFAERN O[C@H](c1ccncc1)C1CCCCC1 33805745 169450107 /nfs/dbraw/zinc/45/01/07/169450107.db2.gz OWPVSPKPELVZKD-LBPRGKRZSA-N 0 0 191.274 2.695 10 0 AFAERN O[C@H]1CCCC[C@H]1OC1CCCCC1 33605758 169450482 /nfs/dbraw/zinc/45/04/82/169450482.db2.gz GBQDQIHYVCMANU-NWDGAFQWSA-N 0 0 198.306 2.639 10 0 AFAERN O[C@H]1CCCC[C@@H]1c1ccccc1F 53751468 169450839 /nfs/dbraw/zinc/45/08/39/169450839.db2.gz OFDQYRMHMRJZQZ-PWSUYJOCSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@H]1CCCCc2ccc(F)cc21 19727036 169450960 /nfs/dbraw/zinc/45/09/60/169450960.db2.gz RBNJGJFVVQNODC-NSHDSACASA-N 0 0 180.222 2.586 10 0 AFAERN O[C@H]1CCC[C@@H]1Cc1cccc(F)c1 44469616 169450984 /nfs/dbraw/zinc/45/09/84/169450984.db2.gz HPTIYVMTBUCKCW-PWSUYJOCSA-N 0 0 194.249 2.529 10 0 AFAERN O[C@H]1CCCOc2ccc(Cl)cc21 62568412 169451514 /nfs/dbraw/zinc/45/15/14/169451514.db2.gz GGCKRXMODOTYAT-VIFPVBQESA-N 0 0 198.649 2.546 10 0 AFAERN O[C@H]1CCC[C@@H]1Sc1ccccc1 6575520 169451640 /nfs/dbraw/zinc/45/16/40/169451640.db2.gz JIAWDQCLDCXYTK-QWRGUYRKSA-N 0 0 194.299 2.692 10 0 AFAERN O[C@H]1CCC[C@H]1c1ccc(F)c(F)c1 15440780 169452330 /nfs/dbraw/zinc/45/23/30/169452330.db2.gz OATAHLJIXRYLOI-KWQFWETISA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CCc2cc3ccccc3cc21 34305125 169453307 /nfs/dbraw/zinc/45/33/07/169453307.db2.gz YMBURXYBWQBZDP-ZDUSSCGKSA-N 0 0 184.238 2.819 10 0 AFAERN O[C@H]1CCc2c1ccc1ccccc21 42405535 169453731 /nfs/dbraw/zinc/45/37/31/169453731.db2.gz OILJRBUAWLPLRD-ZDUSSCGKSA-N 0 0 184.238 2.819 10 0 AFAERN O[C@]12CCCCC1=Nc1ccccc12 19866068 169455732 /nfs/dbraw/zinc/45/57/32/169455732.db2.gz MJRMOJRZUNJPCJ-LBPRGKRZSA-N 0 0 187.242 2.534 10 0 AFAERN Oc1ccc(-c2cccc(F)c2)nc1 47204625 169457050 /nfs/dbraw/zinc/45/70/50/169457050.db2.gz MZHKJAUVSICGSW-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1ccc2oc(=S)ccc2c1 73298831 169458691 /nfs/dbraw/zinc/45/86/91/169458691.db2.gz FGHZVFOCIYABBE-UHFFFAOYSA-N 0 0 178.212 2.868 10 0 in-vitro AFAERN Oc1ccccc1[C@@H]1CCCCO1 34213881 169458767 /nfs/dbraw/zinc/45/87/67/169458767.db2.gz QTVJJZSEFNGOES-NSHDSACASA-N 0 0 178.231 2.634 10 0 AFAERN Oc1cccc2c1[C@@H]1CCCC[C@H]1O2 49853496 169458793 /nfs/dbraw/zinc/45/87/93/169458793.db2.gz CKCIFYXGFZMLKQ-PSASIEDQSA-N 0 0 190.242 2.811 10 0 AFAERN Oc1cccc2c1[C@H]1CCCC[C@H]1O2 49853494 169459216 /nfs/dbraw/zinc/45/92/16/169459216.db2.gz CKCIFYXGFZMLKQ-WCBMZHEXSA-N 0 0 190.242 2.811 10 0 AFAERN Oc1ccccc1Nc1cccnc1 78222738 169459311 /nfs/dbraw/zinc/45/93/11/169459311.db2.gz DKXGNNKWSDRXIB-UHFFFAOYSA-N 0 0 186.214 2.531 10 0 AFAERN Oc1ccccc1OCC1CCCC1 42375087 169459442 /nfs/dbraw/zinc/45/94/42/169459442.db2.gz FFPRTAPRXQAXEO-UHFFFAOYSA-N 0 0 192.258 2.961 10 0 AFAERN Oc1ccccc1Nc1nccs1 34135543 169459911 /nfs/dbraw/zinc/45/99/11/169459911.db2.gz SAUHYTALFBQHTO-UHFFFAOYSA-N 0 0 192.243 2.592 10 0 AFAERN Oc1ccccc1C1SCCS1 34408584 169459944 /nfs/dbraw/zinc/45/99/44/169459944.db2.gz BDTJZIUGKIQWPI-UHFFFAOYSA-N 0 0 198.312 2.871 10 0 AFAERN Oc1cccnc1Nc1ccccc1 75577144 169460022 /nfs/dbraw/zinc/46/00/22/169460022.db2.gz ONVUKMIOINZASU-UHFFFAOYSA-N 0 0 186.214 2.531 10 0 AFAERN Oc1ccccc1C1CCC1 39297772 169460066 /nfs/dbraw/zinc/46/00/66/169460066.db2.gz DCAIEYUJOVJWCG-UHFFFAOYSA-N 0 0 148.205 2.660 10 0 AFAERN Oc1cncc(-c2ccc(F)cc2)c1 47204632 169460202 /nfs/dbraw/zinc/46/02/02/169460202.db2.gz KYYNZGVFYGMAFG-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN O=C1CN=C(c2cccs2)S1 44117248 169460489 /nfs/dbraw/zinc/46/04/89/169460489.db2.gz QOHBYBVXCKSMAC-UHFFFAOYSA-N 0 0 183.257 2.577 10 0 AFAERN O=C1CN=C(c2cccc(F)c2)S1 44120445 169460574 /nfs/dbraw/zinc/46/05/74/169460574.db2.gz KDBNSJNYJWRRAC-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN O=C1CSC(C2=CCCCC2)=N1 44121520 169460708 /nfs/dbraw/zinc/46/07/08/169460708.db2.gz RVXMJTCNMMHBLL-UHFFFAOYSA-N 0 0 181.260 2.806 10 0 AFAERN O=C1CSC(c2cccs2)=N1 44118846 169460755 /nfs/dbraw/zinc/46/07/55/169460755.db2.gz KJLGXDMRAUFEQT-UHFFFAOYSA-N 0 0 183.257 2.577 10 0 AFAERN O=C1CSC(c2ccc(F)cc2)=N1 43179092 169460802 /nfs/dbraw/zinc/46/08/02/169460802.db2.gz RDMCCHNTZAJOHG-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Oc1cncc(CC2CCCCC2)c1 95723430 169460839 /nfs/dbraw/zinc/46/08/39/169460839.db2.gz HJDJHYQIRHVZKO-UHFFFAOYSA-N 0 0 191.274 2.910 10 0 AFAERN O=C1CN=C(C2CCCCC2)S1 44117237 169461169 /nfs/dbraw/zinc/46/11/69/169461169.db2.gz XBMHEDXMQVWXGT-UHFFFAOYSA-N 0 0 183.276 2.896 10 0 AFAERN O=C1CN=C(c2ccc(F)cc2)S1 44120455 169461221 /nfs/dbraw/zinc/46/12/21/169461221.db2.gz GFZADDBJZFVPBB-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN S=CNc1ccccc1Cl 33845093 169461647 /nfs/dbraw/zinc/46/16/47/169461647.db2.gz OVZNXDORLOGCKR-UHFFFAOYSA-N 0 0 171.652 2.709 10 0 AFAERN S=c1[nH]c2cc3c(cc2[nH]1)CCC3 34414552 169462721 /nfs/dbraw/zinc/46/27/21/169462721.db2.gz HWAHWVSUJANCAS-UHFFFAOYSA-N 0 0 190.271 2.714 10 0 AFAERN S=c1[nH]ccn1Cc1ccsc1 3741 169462777 /nfs/dbraw/zinc/46/27/77/169462777.db2.gz PQWGEDAZDHRHKD-UHFFFAOYSA-N 0 0 196.300 2.655 10 0 AFAERN S=c1[nH]ccn1CC1CCCC1 37258833 169462934 /nfs/dbraw/zinc/46/29/34/169462934.db2.gz FTUZZGHKDMHPAQ-UHFFFAOYSA-N 0 0 182.292 2.736 10 0 AFAERN S=c1[nH]c2c(n1C1CC1)CCCC2 76095218 169462997 /nfs/dbraw/zinc/46/29/97/169462997.db2.gz ALVSRJRBTKXVFJ-UHFFFAOYSA-N 0 0 194.303 2.759 10 0 AFAERN S=c1[nH]cc(-c2ccsc2)[nH]1 33610666 169463010 /nfs/dbraw/zinc/46/30/10/169463010.db2.gz ANYGIRMHMQHXJY-UHFFFAOYSA-N 0 0 182.273 2.801 10 0 AFAERN S=c1[nH]cc(-c2cccs2)[nH]1 33610665 169463118 /nfs/dbraw/zinc/46/31/18/169463118.db2.gz MCHJAOYKRCMJQI-UHFFFAOYSA-N 0 0 182.273 2.801 10 0 AFAERN c1cc(-c2ccsc2)c[nH]1 39038183 169469931 /nfs/dbraw/zinc/46/99/31/169469931.db2.gz BEACEBNWQDTIJM-UHFFFAOYSA-N 0 0 149.218 2.743 10 0 AFAERN c1cc2c(ccc3ncsc32)cn1 45237813 169472872 /nfs/dbraw/zinc/47/28/72/169472872.db2.gz IDKPDSFMYHDOIZ-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN c1cc2c3oncc3cc-2co1 90755532 169473115 /nfs/dbraw/zinc/47/31/15/169473115.db2.gz WNWQWGBGLFZKHO-UHFFFAOYSA-N 0 0 159.144 2.526 10 0 AFAERN c1cc2c(ccc3occc32)[nH]1 45823807 169473329 /nfs/dbraw/zinc/47/33/29/169473329.db2.gz ZBWMRVKTJOOMJO-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN c1cc2cc(N3CCCC3)ccc2[nH]1 82712923 169473438 /nfs/dbraw/zinc/47/34/38/169473438.db2.gz CKCQCGLMRDRLGP-UHFFFAOYSA-N 0 0 186.258 2.768 10 0 AFAERN c1cc2cc3oc3c3[nH]cc1c23 95931185 169473448 /nfs/dbraw/zinc/47/34/48/169473448.db2.gz NQKIRVZAOXLXQJ-UHFFFAOYSA-N 0 0 155.156 2.943 10 0 AFAERN c1cc2cc3c[nH]oc3cc2c1 39112995 169473720 /nfs/dbraw/zinc/47/37/20/169473720.db2.gz UZFQIZMNGBWTPY-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN c1cc2c3c(c1)NC[C@H]3CCC2 71476920 169473764 /nfs/dbraw/zinc/47/37/64/169473764.db2.gz MFVFAPQCEUCUSG-SECBINFHSA-N 0 0 159.232 2.532 10 0 AFAERN c1ccc(-c2cccc3c2CCN3)nc1 89209646 169474162 /nfs/dbraw/zinc/47/41/62/169474162.db2.gz PVSZCXZPTOBLTJ-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN c1ccc(-c2cc3c([nH]2)CCN3)cc1 82393234 169474252 /nfs/dbraw/zinc/47/42/52/169474252.db2.gz NMEHQKZUWDDSHW-UHFFFAOYSA-N 0 0 184.242 2.650 10 0 AFAERN c1ccc(-c2cc3cncnc3[nH]2)cc1 89223780 169474318 /nfs/dbraw/zinc/47/43/18/169474318.db2.gz PAWABSCCOFXOCW-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1ccc(-c2ccc3n[nH]cc3n2)cc1 89219870 169474532 /nfs/dbraw/zinc/47/45/32/169474532.db2.gz FXUDQKREGGIUQW-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1ccc(-c2cc3nc[nH]c3cn2)cc1 89203318 169474656 /nfs/dbraw/zinc/47/46/56/169474656.db2.gz WPSLKEHAOKNPSH-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1cc2ccc3ccoc3c2[nH]1 45823810 169474663 /nfs/dbraw/zinc/47/46/63/169474663.db2.gz BSPXWOWUDWKJLV-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN c1ccc(-c2cc(NC3CC3)n[nH]2)cc1 62668801 169474682 /nfs/dbraw/zinc/47/46/82/169474682.db2.gz UFCOYGCDFXTNLN-UHFFFAOYSA-N 0 0 199.257 2.651 10 0 AFAERN c1ccc(-c2nccc3c2CCC3)nc1 35940134 169474799 /nfs/dbraw/zinc/47/47/99/169474799.db2.gz QIPFTCOCCRPPSN-UHFFFAOYSA-N 0 0 196.253 2.632 10 0 AFAERN c1ccc(-c2onc3c2CCC3)cc1 1720003 169474836 /nfs/dbraw/zinc/47/48/36/169474836.db2.gz WYTRFRTUNGWXID-UHFFFAOYSA-N 0 0 185.226 2.830 10 0 AFAERN c1ccc(-c2ncnc3[nH]ccc23)cc1 45302326 169474846 /nfs/dbraw/zinc/47/48/46/169474846.db2.gz XWMVYDXYOLGHBU-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1ccc(-c2[nH]nc3cccnc23)cc1 89219669 169475209 /nfs/dbraw/zinc/47/52/09/169475209.db2.gz AGLTYNBSYDBDSF-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1ccc(Cc2ccoc2)cc1 39207609 169476204 /nfs/dbraw/zinc/47/62/04/169476204.db2.gz XEVDSPQSOZLKEZ-UHFFFAOYSA-N 0 0 158.200 2.870 10 0 AFAERN c1ccc(CO[C@@H]2CCCCO2)cc1 404175 169476249 /nfs/dbraw/zinc/47/62/49/169476249.db2.gz DGBGIIPEHWOEQZ-GFCCVEGCSA-N 0 0 192.258 2.730 10 0 AFAERN c1ccc(S[C@H]2CCCCO2)nc1 39116757 169476477 /nfs/dbraw/zinc/47/64/77/169476477.db2.gz QNWBDPGSAXVPDV-JTQLQIEISA-N 0 0 195.287 2.700 10 0 AFAERN c1ccc(S[C@@H]2CCCO2)cc1 1618026 169477020 /nfs/dbraw/zinc/47/70/20/169477020.db2.gz STOFDPRYPBZFMM-SNVBAGLBSA-N 0 0 180.272 2.915 10 0 AFAERN c1ccc(NCc2ccc[nH]2)cc1 51787845 169477033 /nfs/dbraw/zinc/47/70/33/169477033.db2.gz LKIQCKOYRPPNPV-UHFFFAOYSA-N 0 0 172.231 2.627 10 0 AFAERN c1ccc(Nc2n[nH]c3c2CCC3)cc1 40665 169477124 /nfs/dbraw/zinc/47/71/24/169477124.db2.gz FRUIYRXGLWBINX-UHFFFAOYSA-N 0 0 199.257 2.642 10 0 AFAERN c1ccc(NC[C@@H]2CCCCO2)cc1 35150688 169477165 /nfs/dbraw/zinc/47/71/65/169477165.db2.gz NUAFULZXWAVICA-LBPRGKRZSA-N 0 0 191.274 2.668 10 0 AFAERN c1ccc(OCCn2cccc2)cc1 41203908 169477210 /nfs/dbraw/zinc/47/72/10/169477210.db2.gz UAFRWPLPTLMYTP-UHFFFAOYSA-N 0 0 187.242 2.567 10 0 AFAERN c1ccc([C@@H]2Cc3ccccc3N2)nc1 2534054 169477405 /nfs/dbraw/zinc/47/74/05/169477405.db2.gz PYVFHCIQEACZNT-ZDUSSCGKSA-N 0 0 196.253 2.791 10 0 in-vitro AFAERN c1ccc2[nH]c(-c3cc[nH]n3)cc2c1 6718726 169477546 /nfs/dbraw/zinc/47/75/46/169477546.db2.gz MZASQQDCQLEXBR-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN c1ccc2c(-c3cocn3)c[nH]c2c1 49111303 169477548 /nfs/dbraw/zinc/47/75/48/169477548.db2.gz IWHWVOLWEGLICO-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN c1ccc([C@H]2OCCCS2)cc1 6242163 169478161 /nfs/dbraw/zinc/47/81/61/169478161.db2.gz VODVZRLXEOFQDT-JTQLQIEISA-N 0 0 180.272 2.839 10 0 AFAERN c1ccc2c(-c3cnccn3)c[nH]c2c1 34622421 169478217 /nfs/dbraw/zinc/47/82/17/169478217.db2.gz CDDJXJDNNZJUME-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN C1=c2ccccc2=CC1 100216173 169478233 /nfs/dbraw/zinc/47/82/33/169478233.db2.gz RREAVEQOCKXSHQ-UHFFFAOYSA-N 0 0 115.155 2.559 10 0 in-vitro AFAERN c1ccc2c(c1)C[C@H](c1ccncc1)O2 39120834 169479120 /nfs/dbraw/zinc/47/91/20/169479120.db2.gz BOCULKJOFCPXHF-CYBMUJFWSA-N 0 0 197.237 2.758 10 0 AFAERN Cc1cc(C)c(C(F)(F)CN)c(C)c1 137041420 343983318 /nfs/dbraw/zinc/98/33/18/343983318.db2.gz KGIQBGNHPYUSFS-UHFFFAOYSA-N 0 0 199.244 2.662 10 0 AFAERN c1ccc2c(c1)OCc1cnccc1-2 39618372 169479651 /nfs/dbraw/zinc/47/96/51/169479651.db2.gz XYUGMLBMMWWINJ-UHFFFAOYSA-N 0 0 183.210 2.641 10 0 AFAERN c1ccc2c(c1)sc1nnsc12 39297113 169479852 /nfs/dbraw/zinc/47/98/52/169479852.db2.gz JBNFSSOKYLFCTA-UHFFFAOYSA-N 0 0 192.268 2.906 10 0 AFAERN c1ccc2c(c1)SCc1c[nH]nc1-2 39268612 169479891 /nfs/dbraw/zinc/47/98/91/169479891.db2.gz TVPJODVFKPLXPS-UHFFFAOYSA-N 0 0 188.255 2.682 10 0 AFAERN c1ccc2c(c1)nc1ccsn12 95923164 169480141 /nfs/dbraw/zinc/48/01/41/169480141.db2.gz WQEPWALOCSQVAQ-UHFFFAOYSA-N 0 0 174.228 2.549 10 0 AFAERN c1ccc2c(c1)ncc1[nH]ccc12 45354520 169480188 /nfs/dbraw/zinc/48/01/88/169480188.db2.gz BSUNEUGPXRSCLF-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN c1ccc2c3c[nH]oc-3cc2c1 39112993 169480840 /nfs/dbraw/zinc/48/08/40/169480840.db2.gz UZKFCSDDXVYADZ-UHFFFAOYSA-N 0 0 157.172 2.866 10 0 AFAERN c1ccc2ncc(N3CCCC3)cc2c1 82712933 169480879 /nfs/dbraw/zinc/48/08/79/169480879.db2.gz RLSKPSIIARBGNM-UHFFFAOYSA-N 0 0 198.269 2.835 10 0 AFAERN c1ccc2oc([C@@H]3CCCO3)nc2c1 102717536 169480954 /nfs/dbraw/zinc/48/09/54/169480954.db2.gz AJDIXSVEHLGXEP-JTQLQIEISA-N 0 0 189.214 2.679 10 0 AFAERN c1ccc2c3o[nH]cc-3cc2c1 39113002 169481122 /nfs/dbraw/zinc/48/11/22/169481122.db2.gz GCIPQLIBIYSPEB-UHFFFAOYSA-N 0 0 157.172 2.866 10 0 AFAERN c1ccn(CC2CCCC2)c1 35651162 169481300 /nfs/dbraw/zinc/48/13/00/169481300.db2.gz IITXCQWBZYOXSI-UHFFFAOYSA-N 0 0 149.237 2.678 10 0 AFAERN c1ccc2nc3c(cc2c1)OCCC3 39120798 169481360 /nfs/dbraw/zinc/48/13/60/169481360.db2.gz FAKQOZFDTFHINK-UHFFFAOYSA-N 0 0 185.226 2.560 10 0 AFAERN c1ccc2nc(-c3c[nH]cn3)ccc2c1 14516351 169481411 /nfs/dbraw/zinc/48/14/11/169481411.db2.gz ZEWABKLRHRCSNJ-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1ccc2ncc(NC3CC3)cc2c1 82710801 169481752 /nfs/dbraw/zinc/48/17/52/169481752.db2.gz DOUWUDHONSXISZ-UHFFFAOYSA-N 0 0 184.242 2.809 10 0 AFAERN c1cnc(CC2CCCCC2)cn1 38612043 169483081 /nfs/dbraw/zinc/48/30/81/169483081.db2.gz DGJZDAIWCSVZBI-UHFFFAOYSA-N 0 0 176.263 2.599 10 0 endogenous,in-man AFAERN c1cnnc(SC2CCCCC2)c1 306957046 169483805 /nfs/dbraw/zinc/48/38/05/169483805.db2.gz SLPOPNLKYGMFRG-UHFFFAOYSA-N 0 0 194.303 2.901 10 0 AFAERN c1coc(C2SCCS2)c1 5843084 169483839 /nfs/dbraw/zinc/48/38/39/169483839.db2.gz FJZSFBULTAFVNL-UHFFFAOYSA-N 0 0 172.274 2.758 10 0 AFAERN c1coc(-c2ccc3c(c2)CCN3)c1 16947256 169484309 /nfs/dbraw/zinc/48/43/09/169484309.db2.gz RJIUYDCIFNMACA-UHFFFAOYSA-N 0 0 185.226 2.915 10 0 AFAERN c1nc(-c2ccc3c(c2)CCC3)co1 58520394 169486080 /nfs/dbraw/zinc/48/60/80/169486080.db2.gz VTIYGOGJORROFV-UHFFFAOYSA-N 0 0 185.226 2.830 10 0 AFAERN c1csccc2c[nH]oc-2c1 39113213 169486114 /nfs/dbraw/zinc/48/61/14/169486114.db2.gz RVMWPDWTMRCZFR-UHFFFAOYSA-N 0 0 165.217 2.898 10 0 AFAERN c1nc2c(ccc3cocc32)o1 39128746 169487750 /nfs/dbraw/zinc/48/77/50/169487750.db2.gz KBCNCDYLFHGKJP-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN c1ncc(C2CCCCC2)cn1 39411188 169489765 /nfs/dbraw/zinc/48/97/65/169489765.db2.gz YXBZAJVCHWWKBR-UHFFFAOYSA-N 0 0 162.236 2.524 10 0 AFAERN COc1ccc(O)c(OC)c1C(C)C 137127576 343983830 /nfs/dbraw/zinc/98/38/30/343983830.db2.gz HOANNBRZKUQLBA-UHFFFAOYSA-N 0 0 196.246 2.533 10 0 AFAERN CC(C)C(=O)/N=N/c1ccccc1 138564313 343989362 /nfs/dbraw/zinc/98/93/62/343989362.db2.gz VSBSTHHKFADNKN-VAWYXSNFSA-N 0 0 176.219 2.953 10 0 AFAERN C/C=C/CNc1ccc(OC)cc1 138759272 343990410 /nfs/dbraw/zinc/99/04/10/343990410.db2.gz YDSJQAGCACQRIO-ONEGZZNKSA-N 0 0 177.247 2.683 10 0 AFAERN Cc1cc2ccncc2c(Cl)n1 140813127 344001990 /nfs/dbraw/zinc/00/19/90/344001990.db2.gz TUWMCJAZOMCYEM-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN Cc1nc(C(C)C)nc(C)c1C 140933551 344002662 /nfs/dbraw/zinc/00/26/62/344002662.db2.gz NPYRLXLTXDIHCE-UHFFFAOYSA-N 0 0 164.252 2.525 10 0 AFAERN Cc1ccc2cnccc2c1C 140875484 344002694 /nfs/dbraw/zinc/00/26/94/344002694.db2.gz VTAVHXMUCXUXKT-UHFFFAOYSA-N 0 0 157.216 2.852 10 0 AFAERN COc1ccc(C)c(-n2cccc2)c1 141009511 344003180 /nfs/dbraw/zinc/00/31/80/344003180.db2.gz UDVMPWAQAFVCGY-UHFFFAOYSA-N 0 0 187.242 2.794 10 0 AFAERN Cc1ccc(Cl)c([N+](=O)[O-])c1C 142326371 344011797 /nfs/dbraw/zinc/01/17/97/344011797.db2.gz QPGYZPXZYNCZJI-UHFFFAOYSA-N 0 0 185.610 2.865 10 0 AFAERN CC(F)(F)C(=O)c1ccccc1F 142558795 344013529 /nfs/dbraw/zinc/01/35/29/344013529.db2.gz MLDLPURSBQYOEP-UHFFFAOYSA-N 0 0 188.148 2.664 10 0 AFAERN CCCCCC[C@@H]1NN1CCCC 142546606 344013545 /nfs/dbraw/zinc/01/35/45/344013545.db2.gz PTDUTZNNFMVFQM-JTDNENJMSA-N 0 0 184.327 2.903 10 0 AFAERN CCc1ccc(F)c(F)c1OC 143069892 344016543 /nfs/dbraw/zinc/01/65/43/344016543.db2.gz CHRDISORKCYJNY-UHFFFAOYSA-N 0 0 172.174 2.536 10 0 AFAERN CCc1cc(F)c(F)c(OC)c1 144840388 344029883 /nfs/dbraw/zinc/02/98/83/344029883.db2.gz POYNZWQPDWZEFN-UHFFFAOYSA-N 0 0 172.174 2.536 10 0 AFAERN CC(C)c1cccc2c1CC[C@@H]2O 145103944 344031253 /nfs/dbraw/zinc/03/12/53/344031253.db2.gz SOQDKXBCMBVTKE-LBPRGKRZSA-N 0 0 176.259 2.790 10 0 AFAERN COCOc1ccccc1C1CCC1 143490551 344019497 /nfs/dbraw/zinc/01/94/97/344019497.db2.gz AVYSBKLBQKXSDK-UHFFFAOYSA-N 0 0 192.258 2.937 10 0 AFAERN CC(=O)O[C@H](C)/C=C/c1cccs1 143630009 344020825 /nfs/dbraw/zinc/02/08/25/344020825.db2.gz WFCHYMPNGFHGPF-HQZHTGGTSA-N 0 0 196.271 2.713 10 0 AFAERN CNc1ccc(-c2ccccc2)cc1N 144056454 344023856 /nfs/dbraw/zinc/02/38/56/344023856.db2.gz QZYYTAXBRAAKAU-UHFFFAOYSA-N 0 0 198.269 2.978 10 0 AFAERN CCSC(=O)NCc1ccccc1 161773 170992913 /nfs/dbraw/zinc/99/29/13/170992913.db2.gz XQMYOXRLRSBRPV-UHFFFAOYSA-N 0 0 195.287 2.649 10 0 AFAERN OC(C1CCCC1)C1CCCC1 1676555 171000603 /nfs/dbraw/zinc/00/06/03/171000603.db2.gz KJMCBUHSRCZHHX-UHFFFAOYSA-N 0 0 168.280 2.728 10 0 AFAERN ClC12CCC(Cl)(CC1)C2 1727603 171002015 /nfs/dbraw/zinc/00/20/15/171002015.db2.gz YBNBENMSAFGIQF-UHFFFAOYSA-N 0 0 165.063 2.919 10 0 AFAERN CN(C)Nc1ccc2ccccc2c1 148228179 344051351 /nfs/dbraw/zinc/05/13/51/344051351.db2.gz MTUMDPGDSLABDZ-UHFFFAOYSA-N 0 0 186.258 2.728 10 0 AFAERN COc1ccc(O)c(CC(C)C)c1 1744347 171002327 /nfs/dbraw/zinc/00/23/27/171002327.db2.gz AFYPBOIOQRUIEK-UHFFFAOYSA-N 0 0 180.247 2.599 10 0 AFAERN CC(=O)CCC(C)=C(C)C 1845825 171002663 /nfs/dbraw/zinc/00/26/63/171002663.db2.gz HASNVACCRLSDMU-UHFFFAOYSA-N 0 0 140.226 2.712 10 0 AFAERN CC/C=C/CCOC(=O)CC(C)C 1850758 171002910 /nfs/dbraw/zinc/00/29/10/171002910.db2.gz AIQLNKITFBJPFO-AATRIKPKSA-N 0 0 184.279 2.932 10 0 AFAERN CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C 1850909 171003266 /nfs/dbraw/zinc/00/32/66/171003266.db2.gz BKATZVAUANSCKN-QWRGUYRKSA-N 0 0 194.274 2.542 10 0 endogenous,in-man AFAERN Cc1ccccc1Oc1cccnn1 2019149 171003836 /nfs/dbraw/zinc/00/38/36/171003836.db2.gz DNPSYFHJYIRREW-UHFFFAOYSA-N 0 0 186.214 2.577 10 0 in-vitro AFAERN CCSC(=S)SCC 2038698 171003900 /nfs/dbraw/zinc/00/39/00/171003900.db2.gz NRQCYLXIKLRTQE-UHFFFAOYSA-N 0 0 166.336 2.778 10 0 AFAERN c1cc(C2CCCCC2)ncn1 38218589 171004631 /nfs/dbraw/zinc/00/46/31/171004631.db2.gz ZBPSJOCDLVPHCK-UHFFFAOYSA-N 0 0 162.236 2.524 10 0 AFAERN CC(C)(C)SC[NH+]1CCCCC1 2515972 171006209 /nfs/dbraw/zinc/00/62/09/171006209.db2.gz NMCXBMPHYIINBQ-UHFFFAOYSA-N 0 0 187.352 2.962 10 0 AFAERN C/C=C/C(CC)CC 2564042 171007381 /nfs/dbraw/zinc/00/73/81/171007381.db2.gz STHONQMAWQLWLX-QPJJXVBHSA-N 0 0 112.216 2.999 10 0 AFAERN C/C=C/C(C)(C)CC 2563442 171007415 /nfs/dbraw/zinc/00/74/15/171007415.db2.gz OQEVAISXHCRQGF-FNORWQNLSA-N 0 0 112.216 2.999 10 0 AFAERN C=Cc1ccc2c(C=O)c[nH]c2c1 148230121 344051664 /nfs/dbraw/zinc/05/16/64/344051664.db2.gz GYGWLWFYPNSHCA-UHFFFAOYSA-N 0 0 171.199 2.623 10 0 AFAERN COc1ccccc1CC(C)C 2579402 171008194 /nfs/dbraw/zinc/00/81/94/171008194.db2.gz WROWBVQEHWPHIT-UHFFFAOYSA-N 0 0 164.248 2.894 10 0 AFAERN C[C@@H]1CN=C(c2ccccc2)S1 3616948 171009333 /nfs/dbraw/zinc/00/93/33/171009333.db2.gz ICCYFBRBECDTKG-MRVPVSSYSA-N 0 0 177.272 2.569 10 0 AFAERN C[C@H]1CN=C(c2ccccc2)S1 3616946 171009419 /nfs/dbraw/zinc/00/94/19/171009419.db2.gz ICCYFBRBECDTKG-QMMMGPOBSA-N 0 0 177.272 2.569 10 0 AFAERN Cc1ccc2[nH]c(Cl)c(C=O)c2c1 3672839 171009577 /nfs/dbraw/zinc/00/95/77/171009577.db2.gz QOEJIVLRLHTXSQ-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN CC(=O)Nc1ccccc1C1CC1 3181463 171009786 /nfs/dbraw/zinc/00/97/86/171009786.db2.gz BTYUTDOYFRVBKO-UHFFFAOYSA-N 0 0 175.231 2.522 10 0 AFAERN CC(=O)Nc1ccc2sccc2c1 4134727 171010897 /nfs/dbraw/zinc/01/08/97/171010897.db2.gz JFHLLKZLWAUUSO-UHFFFAOYSA-N 0 0 191.255 2.860 10 0 AFAERN CC(=O)OC12CC3CC(CC(C3)C1)C2 4427503 171013136 /nfs/dbraw/zinc/01/31/36/171013136.db2.gz ZYLRDAOEBRPIGT-UHFFFAOYSA-N 0 0 194.274 2.518 10 0 AFAERN c1ccc(CC2=NCCCS2)cc1 4758954 171013415 /nfs/dbraw/zinc/01/34/15/171013415.db2.gz DMTVXCOHDBOTDW-UHFFFAOYSA-N 0 0 191.299 2.765 10 0 AFAERN C/C=C/C(=O)O[C@@H](C)CC(C)C 5132756 171015496 /nfs/dbraw/zinc/01/54/96/171015496.db2.gz VCLJLOIXTASTGU-CYNONHLPSA-N 0 0 170.252 2.540 10 0 AFAERN c1cnc2c(c1)sc1ncccc12 5106125 171015570 /nfs/dbraw/zinc/01/55/70/171015570.db2.gz JKJTVDMWBSOUCB-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN CC(=O)OC(C)(C)C1CCCCC1 5161042 171015795 /nfs/dbraw/zinc/01/57/95/171015795.db2.gz ANCMOAJSZHXJJD-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN C/C=C(/C)[C@@H]1CCC(C)(C)O1 5132594 171015845 /nfs/dbraw/zinc/01/58/45/171015845.db2.gz LPEYLSKLVYWOEQ-RDOCRHDPSA-N 0 0 154.253 2.910 10 0 endogenous,in-man AFAERN C/C=C/C(=O)O[C@H](C)CC(C)C 5132762 171015881 /nfs/dbraw/zinc/01/58/81/171015881.db2.gz VCLJLOIXTASTGU-VUHVRTRXSA-N 0 0 170.252 2.540 10 0 AFAERN CC(=O)Nc1ccc2ccsc2c1 5283602 171016194 /nfs/dbraw/zinc/01/61/94/171016194.db2.gz BEBXXFKGERZYRX-UHFFFAOYSA-N 0 0 191.255 2.860 10 0 AFAERN C=CSC(C)(C)C 5353850 171016355 /nfs/dbraw/zinc/01/63/55/171016355.db2.gz QBBBUPLGCPJGMC-UHFFFAOYSA-N 0 0 116.229 2.662 10 0 AFAERN Cc1cc(NCC2CCC2)ccc1O 148303282 344052403 /nfs/dbraw/zinc/05/24/03/344052403.db2.gz KPSPTPQDBWQQRI-UHFFFAOYSA-N 0 0 191.274 2.913 10 0 AFAERN CC[C@@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 5593199 171017070 /nfs/dbraw/zinc/01/70/70/171017070.db2.gz JCBWAYWZURUMBY-GARJFASQSA-N 0 0 197.322 2.537 10 0 AFAERN CCSC(=O)Cc1ccccc1 5650989 171017133 /nfs/dbraw/zinc/01/71/33/171017133.db2.gz IMCBPLIREFBOKS-UHFFFAOYSA-N 0 0 180.272 2.509 10 0 AFAERN C[C@@H]1CC=C(C(C)(C)O)CC1 5751856 171017909 /nfs/dbraw/zinc/01/79/09/171017909.db2.gz HMXMWOXFKFLOGK-MRVPVSSYSA-N 0 0 154.253 2.504 10 0 AFAERN CC(=O)C[C@@H](C)c1ccccc1 5751150 171018109 /nfs/dbraw/zinc/01/81/09/171018109.db2.gz SYOVWIRLZABVDO-SECBINFHSA-N 0 0 162.232 2.769 10 0 AFAERN CC(=O)C[C@H](C)c1ccccc1 5734767 171018175 /nfs/dbraw/zinc/01/81/75/171018175.db2.gz SYOVWIRLZABVDO-VIFPVBQESA-N 0 0 162.232 2.769 10 0 AFAERN CC/C=C/C[C@@H]1CCCC1=O 5761927 171018237 /nfs/dbraw/zinc/01/82/37/171018237.db2.gz ZIJOSCABGITYIL-CDAZIORVSA-N 0 0 152.237 2.712 10 0 endogenous,in-man AFAERN c1ccc(C2N=NN=N2)cc1 5736298 171018392 /nfs/dbraw/zinc/01/83/92/171018392.db2.gz GYNNFEFIJMGANQ-UHFFFAOYSA-N 0 0 146.153 2.518 10 0 AFAERN CC/C=C/C[C@H]1CCCC1=O 5761930 171018438 /nfs/dbraw/zinc/01/84/38/171018438.db2.gz ZIJOSCABGITYIL-NWALNABHSA-N 0 0 152.237 2.712 10 0 endogenous,in-man AFAERN CC/C=C/CCC(C)(C)O 5761877 171018444 /nfs/dbraw/zinc/01/84/44/171018444.db2.gz LGAOBFAFWKTUEZ-AATRIKPKSA-N 0 0 142.242 2.504 10 0 AFAERN CC(C)=CC/C=C(\C)[C@@H](C)O 6032385 171018639 /nfs/dbraw/zinc/01/86/39/171018639.db2.gz RJSWINAXCPBTMV-TTZKWOQHSA-N 0 0 154.253 2.670 10 0 AFAERN CC(C)=CC/C=C(\C)[C@H](C)O 6019914 171019015 /nfs/dbraw/zinc/01/90/15/171019015.db2.gz RJSWINAXCPBTMV-PCYYEKQGSA-N 0 0 154.253 2.670 10 0 AFAERN CCSC(=O)c1ccccc1 6411455 171019433 /nfs/dbraw/zinc/01/94/33/171019433.db2.gz XZJPOQGUMFRLEW-UHFFFAOYSA-N 0 0 166.245 2.580 10 0 AFAERN CCSC(=O)C1CCCCC1 6411421 171019684 /nfs/dbraw/zinc/01/96/84/171019684.db2.gz LPXSWGKUIIAVEI-UHFFFAOYSA-N 0 0 172.293 2.846 10 0 AFAERN Cc1ccccc1N1CCCC1 6071892 171019848 /nfs/dbraw/zinc/01/98/48/171019848.db2.gz ZQVAGPGHTQBLMM-UHFFFAOYSA-N 0 0 161.248 2.595 10 0 AFAERN CC(C)/C=C1\OC(=O)C2=CC=CC[C@H]21 205678308 171021003 /nfs/dbraw/zinc/02/10/03/171021003.db2.gz IVZVUDRUEPCTTL-MDXIRLPMSA-N 0 0 190.242 2.586 10 0 AFAERN CCSC(=S)C(F)(F)F 8325713 171021487 /nfs/dbraw/zinc/02/14/87/171021487.db2.gz RCCGZFBHSZINQV-UHFFFAOYSA-N 0 0 174.212 2.629 10 0 AFAERN Cc1ccccc1Cn1cccc1C=O 8728334 171021963 /nfs/dbraw/zinc/02/19/63/171021963.db2.gz VEBAKUQGNJIJSA-UHFFFAOYSA-N 0 0 199.253 2.657 10 0 AFAERN c1cncc(NCC2CCCC2)c1 8699763 171022420 /nfs/dbraw/zinc/02/24/20/171022420.db2.gz FYFRVKRJRQTKBL-UHFFFAOYSA-N 0 0 176.263 2.684 10 0 AFAERN CC(C)(C)[C@@H](CO)Cc1ccccc1 36448451 171022875 /nfs/dbraw/zinc/02/28/75/171022875.db2.gz IUQMCUXWPFCKKN-GFCCVEGCSA-N 0 0 192.302 2.884 10 0 AFAERN CC(=O)C[C@@H](C)c1cccs1 11631245 171023539 /nfs/dbraw/zinc/02/35/39/171023539.db2.gz GRHVNFMUNHLGAT-SSDOTTSWSA-N 0 0 168.261 2.831 10 0 AFAERN COc1ccccc1C(C)(C)C(C)=O 11833695 171023942 /nfs/dbraw/zinc/02/39/42/171023942.db2.gz FQOWCEMRZMIGLI-UHFFFAOYSA-N 0 0 192.258 2.562 10 0 AFAERN CC(=O)C[C@@H](C)c1ccc(F)cc1 11631261 171024122 /nfs/dbraw/zinc/02/41/22/171024122.db2.gz MTSHJEYVEWYMMO-MRVPVSSYSA-N 0 0 180.222 2.908 10 0 AFAERN CC(=O)C[C@H](C)c1ccc(F)cc1 11631260 171024209 /nfs/dbraw/zinc/02/42/09/171024209.db2.gz MTSHJEYVEWYMMO-QMMMGPOBSA-N 0 0 180.222 2.908 10 0 AFAERN CC(=O)C[C@H](C)c1cccs1 11631244 171024231 /nfs/dbraw/zinc/02/42/31/171024231.db2.gz GRHVNFMUNHLGAT-ZETCQYMHSA-N 0 0 168.261 2.831 10 0 AFAERN CC(C)(C)Sc1ccccn1 13214645 171026473 /nfs/dbraw/zinc/02/64/73/171026473.db2.gz CZTNOVDJLZJTSA-UHFFFAOYSA-N 0 0 167.277 2.972 10 0 AFAERN CC(C)c1ccccc1-n1ccnc1 13547320 171027233 /nfs/dbraw/zinc/02/72/33/171027233.db2.gz CFYUQXNGWZNTQA-UHFFFAOYSA-N 0 0 186.258 2.996 10 0 AFAERN O=c1oc(Cl)ccc1C1CCCC1 13528632 171027678 /nfs/dbraw/zinc/02/76/78/171027678.db2.gz DBYJWOQNYZUQTM-UHFFFAOYSA-N 0 0 198.649 2.951 10 0 AFAERN CC(C)=CC/C=C(\C)CCO 15120483 171028824 /nfs/dbraw/zinc/02/88/24/171028824.db2.gz DTHIOPUFUOMHAY-UXBLZVDNSA-N 0 0 154.253 2.671 10 0 AFAERN CCC/C=C/c1cccc(C=O)n1 15042248 171028984 /nfs/dbraw/zinc/02/89/84/171028984.db2.gz TUNXGIYZIWDOSN-GQCTYLIASA-N 0 0 175.231 2.707 10 0 AFAERN CC(=O)c1cc(C)n(C2CC2)c1C 15014467 171029189 /nfs/dbraw/zinc/02/91/89/171029189.db2.gz YMJLWVCNHQYZBR-UHFFFAOYSA-N 0 0 177.247 2.642 10 0 AFAERN CC(C)/C=C/c1ccccn1 15783482 171029443 /nfs/dbraw/zinc/02/94/43/171029443.db2.gz IALBIPYVGRCHGW-VOTSOKGWSA-N 0 0 147.221 2.751 10 0 AFAERN c1ccc(CCNc2ccccn2)cc1 15768113 171029539 /nfs/dbraw/zinc/02/95/39/171029539.db2.gz BEPCFSMZLKUTHW-UHFFFAOYSA-N 0 0 198.269 2.736 10 0 AFAERN C[C@H]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 17149287 171031580 /nfs/dbraw/zinc/03/15/80/171031580.db2.gz OLSGPMSPGKZAEI-AEJSXWLSSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)CC(=O)CC(F)(F)F 17409283 171031845 /nfs/dbraw/zinc/03/18/45/171031845.db2.gz YWDQYDGKDBQKFF-UHFFFAOYSA-N 0 0 168.158 2.554 10 0 AFAERN CC(C)(C)C(=O)CC(F)(F)F 17403722 171032244 /nfs/dbraw/zinc/03/22/44/171032244.db2.gz JANHZSGHTOBDDU-UHFFFAOYSA-N 0 0 168.158 2.554 10 0 AFAERN CC(C)(C)Sc1ccc(N)cn1 19869647 171035827 /nfs/dbraw/zinc/03/58/27/171035827.db2.gz FOVJFFCUNYLQCF-UHFFFAOYSA-N 0 0 182.292 2.554 10 0 AFAERN O[C@@H](CCc1ccco1)c1ccco1 37631039 171036515 /nfs/dbraw/zinc/03/65/15/171036515.db2.gz QZNPARUARZZOGI-JTQLQIEISA-N 0 0 192.214 2.539 10 0 AFAERN CC(C)(C)Sc1ncccc1N 19869648 171036773 /nfs/dbraw/zinc/03/67/73/171036773.db2.gz JLKHFSJBNQEULG-UHFFFAOYSA-N 0 0 182.292 2.554 10 0 AFAERN Oc1cccc(NCc2ccco2)c1 20193213 171037767 /nfs/dbraw/zinc/03/77/67/171037767.db2.gz WMJBPBALMIXKCL-UHFFFAOYSA-N 0 0 189.214 2.597 10 0 AFAERN Oc1cccc(NC2CCCC2)c1 20193135 171037777 /nfs/dbraw/zinc/03/77/77/171037777.db2.gz YCRGIOIOENCYMG-UHFFFAOYSA-N 0 0 177.247 2.747 10 0 AFAERN CCC/C=C\C(OCC)OCC 20231690 171038080 /nfs/dbraw/zinc/03/80/80/171038080.db2.gz WMQKYHTZGYIHHD-HJWRWDBZSA-N 0 0 172.268 2.742 10 0 AFAERN CC(C)(C)Sc1ccncc1N 20370966 171038382 /nfs/dbraw/zinc/03/83/82/171038382.db2.gz SISHUJHZFWBISV-UHFFFAOYSA-N 0 0 182.292 2.554 10 0 AFAERN Cc1ccc2[nH]c(-c3ccc[nH]3)nc2c1 21005472 171040319 /nfs/dbraw/zinc/04/03/19/171040319.db2.gz LZBHMUSZUZIOCE-UHFFFAOYSA-N 0 0 197.241 2.866 10 0 AFAERN c1c[nH]c(-c2nc3ccccc3[nH]2)c1 21005468 171040382 /nfs/dbraw/zinc/04/03/82/171040382.db2.gz LAOMLYGDZXWXDC-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN COC1=CCCc2ccccc21 21995901 171041255 /nfs/dbraw/zinc/04/12/55/171041255.db2.gz SFYRKVZGSRDBSY-UHFFFAOYSA-N 0 0 160.216 2.620 10 0 AFAERN CCOC(/C=C/C(C)C)OCC 22003385 171041503 /nfs/dbraw/zinc/04/15/03/171041503.db2.gz CHFRHBQKSZSKSU-BQYQJAHWSA-N 0 0 172.268 2.598 10 0 AFAERN S=c1[nH]cc(Cl)cc1Cl 22156356 171041945 /nfs/dbraw/zinc/04/19/45/171041945.db2.gz QJISUYXAYWGCGX-UHFFFAOYSA-N 0 0 180.059 2.677 10 0 AFAERN CC(=O)c1ccc(C2CC2)s1 22200615 171042069 /nfs/dbraw/zinc/04/20/69/171042069.db2.gz HBGZIIMSJWLFLJ-UHFFFAOYSA-N 0 0 166.245 2.828 10 0 AFAERN COC1=CC[C@H]2C=CCC[C@@H]12 24417474 171043901 /nfs/dbraw/zinc/04/39/01/171043901.db2.gz WMJQIGYEFPFFQJ-RKDXNWHRSA-N 0 0 150.221 2.503 10 0 AFAERN CCCCCCC(=O)[C@H](C)OCC 38434539 171043975 /nfs/dbraw/zinc/04/39/75/171043975.db2.gz NASVDVLDQXULRY-JTQLQIEISA-N 0 0 186.295 2.951 10 0 AFAERN COC1=CC[C@H]2C=CCC[C@H]12 24417470 171044259 /nfs/dbraw/zinc/04/42/59/171044259.db2.gz WMJQIGYEFPFFQJ-BDAKNGLRSA-N 0 0 150.221 2.503 10 0 AFAERN COC1=CC[C@@H]2C=CCC[C@H]12 24417468 171044300 /nfs/dbraw/zinc/04/43/00/171044300.db2.gz WMJQIGYEFPFFQJ-IUCAKERBSA-N 0 0 150.221 2.503 10 0 AFAERN CCCCCCC(=O)[C@@H](C)OCC 38434537 171044321 /nfs/dbraw/zinc/04/43/21/171044321.db2.gz NASVDVLDQXULRY-SNVBAGLBSA-N 0 0 186.295 2.951 10 0 AFAERN COC1=CC[C@@H]2C=CCC[C@@H]12 24417472 171044333 /nfs/dbraw/zinc/04/43/33/171044333.db2.gz WMJQIGYEFPFFQJ-DTWKUNHWSA-N 0 0 150.221 2.503 10 0 AFAERN CCCCCCC(=O)c1cnccn1 38338884 171044465 /nfs/dbraw/zinc/04/44/65/171044465.db2.gz YLGXTTLFRXKCOP-UHFFFAOYSA-N 0 0 192.262 2.630 10 0 AFAERN CC1(C)[C@@]2(C)CC[C@]1(C)[C@@H](O)C2 26570341 171044618 /nfs/dbraw/zinc/04/46/18/171044618.db2.gz HROJENNCZLYWII-INTQDDNPSA-N 0 0 168.280 2.584 10 0 AFAERN CCC/C=C/[C@@H](O)CCCC 38636535 171044675 /nfs/dbraw/zinc/04/46/75/171044675.db2.gz QPGJFUFFQCNPOR-PCYYEKQGSA-N 0 0 156.269 2.894 10 0 AFAERN CCC/C=C/[C@H](O)CCCC 38636539 171044901 /nfs/dbraw/zinc/04/49/01/171044901.db2.gz QPGJFUFFQCNPOR-TTZKWOQHSA-N 0 0 156.269 2.894 10 0 AFAERN CCC/C=C/c1cc(C)oc(=O)c1 26580349 171044966 /nfs/dbraw/zinc/04/49/66/171044966.db2.gz FCNBCBBARFKUAE-AATRIKPKSA-N 0 0 178.231 2.762 10 0 AFAERN CCC/C=C\[C@H](O)CCCC 38636537 171045238 /nfs/dbraw/zinc/04/52/38/171045238.db2.gz QPGJFUFFQCNPOR-UJICNMFASA-N 0 0 156.269 2.894 10 0 AFAERN CCCCCCC(=O)c1ccn(C)n1 38950806 171045908 /nfs/dbraw/zinc/04/59/08/171045908.db2.gz MVEOWGZYWYFZDU-UHFFFAOYSA-N 0 0 194.278 2.573 10 0 AFAERN CC(C)c1ccccc1NCCCO 38916686 171045920 /nfs/dbraw/zinc/04/59/20/171045920.db2.gz XITZQXYHCNSPPM-UHFFFAOYSA-N 0 0 193.290 2.604 10 0 AFAERN CCCCCC(=O)Cc1ccncc1 39284852 171046421 /nfs/dbraw/zinc/04/64/21/171046421.db2.gz BHNLIJUTIBWZRE-UHFFFAOYSA-N 0 0 191.274 2.774 10 0 AFAERN CC(=O)CCC(=O)C1CCCCC1 39220137 171046476 /nfs/dbraw/zinc/04/64/76/171046476.db2.gz XSGVDXNSWXPHOV-UHFFFAOYSA-N 0 0 182.263 2.505 10 0 AFAERN C/C=C\COc1ccccc1 39192353 171047065 /nfs/dbraw/zinc/04/70/65/171047065.db2.gz USBQRZMRUABNHR-IHWYPQMZSA-N 0 0 148.205 2.642 10 0 AFAERN CCCN(CCC)C(=O)OC(C)C 39125971 171047111 /nfs/dbraw/zinc/04/71/11/171047111.db2.gz NYJORVZYAXQRAQ-UHFFFAOYSA-N 0 0 187.283 2.653 10 0 AFAERN CCSC(=O)CCCc1ccco1 38652284 171048560 /nfs/dbraw/zinc/04/85/60/171048560.db2.gz PVNRECFECOZUEX-UHFFFAOYSA-N 0 0 198.287 2.882 10 0 AFAERN C/C=C\CCc1ccccn1 31302605 171048708 /nfs/dbraw/zinc/04/87/08/171048708.db2.gz SKHYVKHUYKQNJE-IHWYPQMZSA-N 0 0 147.221 2.590 10 0 AFAERN C/C=C/CCc1ccccn1 31302607 171048956 /nfs/dbraw/zinc/04/89/56/171048956.db2.gz SKHYVKHUYKQNJE-NSCUHMNNSA-N 0 0 147.221 2.590 10 0 AFAERN Cc1ccccc1C[C@@H](O)C(C)C 32007218 171049419 /nfs/dbraw/zinc/04/94/19/171049419.db2.gz AYSQFZWGEYQSLR-GFCCVEGCSA-N 0 0 178.275 2.554 10 0 AFAERN Nc1ccc(Cl)c(N2CCCC2)c1 32009460 171049490 /nfs/dbraw/zinc/04/94/90/171049490.db2.gz OVYWKGHSFVIIIX-UHFFFAOYSA-N 0 0 196.681 2.522 10 0 AFAERN Cc1ccccc1C[C@H](O)C(C)C 32007216 171049501 /nfs/dbraw/zinc/04/95/01/171049501.db2.gz AYSQFZWGEYQSLR-LBPRGKRZSA-N 0 0 178.275 2.554 10 0 AFAERN CC(C)C(=O)Cc1ccccc1F 32007419 171049528 /nfs/dbraw/zinc/04/95/28/171049528.db2.gz VBKBGKJPJXVZQM-UHFFFAOYSA-N 0 0 180.222 2.593 10 0 AFAERN CC(C)c1ccccc1NC[C@H](C)O 32008806 171049579 /nfs/dbraw/zinc/04/95/79/171049579.db2.gz YTZSXLPYFRBWOQ-JTQLQIEISA-N 0 0 193.290 2.603 10 0 AFAERN Cc1ccccc1CC(=O)C(C)C 32006914 171049702 /nfs/dbraw/zinc/04/97/02/171049702.db2.gz XHNDCZOYXMEWBJ-UHFFFAOYSA-N 0 0 176.259 2.763 10 0 AFAERN CC(C)c1ccccc1NC[C@@H](C)O 32008805 171049786 /nfs/dbraw/zinc/04/97/86/171049786.db2.gz YTZSXLPYFRBWOQ-SNVBAGLBSA-N 0 0 193.290 2.603 10 0 AFAERN O=C(OC1CCC1)c1ccccc1F 32148392 171049969 /nfs/dbraw/zinc/04/99/69/171049969.db2.gz DTGWJPCWTIWOGO-UHFFFAOYSA-N 0 0 194.205 2.535 10 0 AFAERN CC(=O)CCCCC(C)C 32149689 171049983 /nfs/dbraw/zinc/04/99/83/171049983.db2.gz OPSQVVYXYQMUEV-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN O=C(OC1CCC1)c1ccc(F)cc1 32148401 171049995 /nfs/dbraw/zinc/04/99/95/171049995.db2.gz UFBJMZMOUZYTFT-UHFFFAOYSA-N 0 0 194.205 2.535 10 0 AFAERN O=[N+]([O-])/C=C/c1ccc(C(F)F)cc1 32657319 171050411 /nfs/dbraw/zinc/05/04/11/171050411.db2.gz NMUCEPTXCZRQNO-AATRIKPKSA-N 0 0 199.156 2.872 10 0 AFAERN CCCCOC(=O)CC(C)(C)C 33608743 171051543 /nfs/dbraw/zinc/05/15/43/171051543.db2.gz GXSOWLLSDPRKOM-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN CC(=O)OCC(C)(C)CC=C(C)C 33611517 171051724 /nfs/dbraw/zinc/05/17/24/171051724.db2.gz GRPUBXWYKFLPCY-UHFFFAOYSA-N 0 0 184.279 2.932 10 0 AFAERN Oc1ccc(O)c(C2CCCC2)c1 33605311 171051809 /nfs/dbraw/zinc/05/18/09/171051809.db2.gz NNTRLPYRNXLYPB-UHFFFAOYSA-N 0 0 178.231 2.755 10 0 AFAERN ClC(Cl)(Cl)c1ccno1 33835257 171052008 /nfs/dbraw/zinc/05/20/08/171052008.db2.gz LJVSHTQXMKTCBA-UHFFFAOYSA-N 0 0 186.425 2.501 10 0 AFAERN CC/C=C/Cc1ccco1 33843860 171052107 /nfs/dbraw/zinc/05/21/07/171052107.db2.gz KQMWMXVDLIDHGY-ONEGZZNKSA-N 0 0 136.194 2.788 10 0 AFAERN CC(C)/C=C1/CCCC[C@H]1O 33908599 171052211 /nfs/dbraw/zinc/05/22/11/171052211.db2.gz BEIUAJCAQMAUGU-UJICNMFASA-N 0 0 154.253 2.504 10 0 AFAERN CC/C=C/c1cccnc1 33838475 171052291 /nfs/dbraw/zinc/05/22/91/171052291.db2.gz KTXMSWAHSUYOHZ-HWKANZROSA-N 0 0 133.194 2.505 10 0 AFAERN CC(C)/C=C1\OC(=O)c2ccccc21 33953302 171052376 /nfs/dbraw/zinc/05/23/76/171052376.db2.gz LYSNVWBBICAAMS-XFFZJAGNSA-N 0 0 188.226 2.854 10 0 AFAERN FC(F)(F)c1onc2c1CCCC2 34061141 171052409 /nfs/dbraw/zinc/05/24/09/171052409.db2.gz ZOBVXWPOJNBQPL-UHFFFAOYSA-N 0 0 191.152 2.572 10 0 AFAERN CC(C)/C=C1/CCCC[C@@H]1O 33908598 171052509 /nfs/dbraw/zinc/05/25/09/171052509.db2.gz BEIUAJCAQMAUGU-RNKPRXRFSA-N 0 0 154.253 2.504 10 0 AFAERN O=Cc1ccccc1Cc1ccoc1 34087582 171052762 /nfs/dbraw/zinc/05/27/62/171052762.db2.gz LSJSJBSVJONPHK-UHFFFAOYSA-N 0 0 186.210 2.683 10 0 AFAERN CC(C)(O)C1C2CC3CC(C2)CC1C3 34153740 171053104 /nfs/dbraw/zinc/05/31/04/171053104.db2.gz CEYCKNXWDDXQMF-UHFFFAOYSA-N 0 0 194.318 2.830 10 0 AFAERN CC(C)(C)C(=O)C[C@H]1CCCCC1=O 34180302 171053584 /nfs/dbraw/zinc/05/35/84/171053584.db2.gz MZKARWNNTCFONE-SECBINFHSA-N 0 0 196.290 2.751 10 0 AFAERN CC(C)/C=C/c1nccs1 34224488 171053787 /nfs/dbraw/zinc/05/37/87/171053787.db2.gz MBSAKYBUOPFSKA-ONEGZZNKSA-N 0 0 153.250 2.812 10 0 AFAERN CCC/C=C/c1cnc(C)c(C)n1 34178277 171053910 /nfs/dbraw/zinc/05/39/10/171053910.db2.gz HKLMFPKJBJKHMT-VOTSOKGWSA-N 0 0 176.263 2.907 10 0 AFAERN Cc1ccccc1O[C@H]1CCCCO1 34213890 171053964 /nfs/dbraw/zinc/05/39/64/171053964.db2.gz JPBJRHNHPYTILX-LBPRGKRZSA-N 0 0 192.258 2.900 10 0 AFAERN CC(C)(C)C(=O)C[C@@H]1CCCCC1=O 34180300 171054051 /nfs/dbraw/zinc/05/40/51/171054051.db2.gz MZKARWNNTCFONE-VIFPVBQESA-N 0 0 196.290 2.751 10 0 AFAERN CC(C)c1cccc2cnncc12 34278644 171054065 /nfs/dbraw/zinc/05/40/65/171054065.db2.gz HFWKBRLGWDNPOA-UHFFFAOYSA-N 0 0 172.231 2.753 10 0 AFAERN Cc1ccccc1O[C@@H]1CCCCO1 34213889 171054115 /nfs/dbraw/zinc/05/41/15/171054115.db2.gz JPBJRHNHPYTILX-GFCCVEGCSA-N 0 0 192.258 2.900 10 0 AFAERN COc1ccccc1NC(C)(C)C 34411283 171054453 /nfs/dbraw/zinc/05/44/53/171054453.db2.gz MINPJWLNHFPMAE-UHFFFAOYSA-N 0 0 179.263 2.906 10 0 AFAERN C[C@@H]1CC2C[C@H]3C[C@@H](C2)CC1(O)C3 34338750 171054540 /nfs/dbraw/zinc/05/45/40/171054540.db2.gz RYHPQIAGFPICGI-BURVXQHBSA-N 0 0 180.291 2.584 10 0 AFAERN CCCCCC(=O)C1CC1 34408066 171054911 /nfs/dbraw/zinc/05/49/11/171054911.db2.gz BWVGSCJAFNGOLV-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN C[C@H]1CC2C[C@H]3C[C@@H](C2)CC1(O)C3 34338752 171055137 /nfs/dbraw/zinc/05/51/37/171055137.db2.gz RYHPQIAGFPICGI-PFMLMYEXSA-N 0 0 180.291 2.584 10 0 AFAERN O=[N+]([O-])C=C1C2CC3CC(C2)CC1C3 34413089 171055176 /nfs/dbraw/zinc/05/51/76/171055176.db2.gz IFTCZLMQMMLYSV-UHFFFAOYSA-N 0 0 193.246 2.603 10 0 AFAERN O[C@@H](C1=CCCCC1)c1ccco1 34449397 171055409 /nfs/dbraw/zinc/05/54/09/171055409.db2.gz OIBLJWQDJJVMTH-NSHDSACASA-N 0 0 178.231 2.813 10 0 AFAERN CC(C)=CC(=O)Oc1ccccc1C 34496292 171055419 /nfs/dbraw/zinc/05/54/19/171055419.db2.gz MUWBWWLSIIIDGZ-UHFFFAOYSA-N 0 0 190.242 2.867 10 0 AFAERN CCCCc1c[nH]cc1C 34491389 171055573 /nfs/dbraw/zinc/05/55/73/171055573.db2.gz GZQQLXPHAPJSQL-UHFFFAOYSA-N 0 0 137.226 2.666 10 0 AFAERN CC(C)(C)C(=O)CCC(=O)C(C)(C)C 34501651 171055775 /nfs/dbraw/zinc/05/57/75/171055775.db2.gz BCOLMMBVEKNDLK-UHFFFAOYSA-N 0 0 198.306 2.997 10 0 AFAERN CC(C)(C)C(=O)Cc1ccccc1F 34525414 171055862 /nfs/dbraw/zinc/05/58/62/171055862.db2.gz UNGOMCLVOKJOAA-UHFFFAOYSA-N 0 0 194.249 2.983 10 0 AFAERN Clc1nc2cccc3c2n1CCC3 34516821 171055898 /nfs/dbraw/zinc/05/58/98/171055898.db2.gz QREIRFLBSYILND-UHFFFAOYSA-N 0 0 192.649 2.636 10 0 AFAERN CC/C=C/c1ccc(O)c(OC)c1 34592239 171056383 /nfs/dbraw/zinc/05/63/83/171056383.db2.gz FJBDWWLIBKKDDT-SNAWJCMRSA-N 0 0 178.231 2.824 10 0 AFAERN CC1(C)OCC(c2ccccc2)CO1 34622368 171056826 /nfs/dbraw/zinc/05/68/26/171056826.db2.gz SQRDUDFKHPIRLO-UHFFFAOYSA-N 0 0 192.258 2.553 10 0 AFAERN Cc1ccc2[nH]cc(F)c2c1 34752346 171057264 /nfs/dbraw/zinc/05/72/64/171057264.db2.gz WEEPRQDKXDZHOC-UHFFFAOYSA-N 0 0 149.168 2.615 10 0 AFAERN COC(=N)C12CC3CC(CC(C3)C1)C2 34751708 171057432 /nfs/dbraw/zinc/05/74/32/171057432.db2.gz WTZPNQCRAJXHSM-UHFFFAOYSA-N 0 0 193.290 2.826 10 0 AFAERN Oc1cccc(Nc2nccs2)c1 35000143 171057927 /nfs/dbraw/zinc/05/79/27/171057927.db2.gz DYQGNOKSXBSQDU-UHFFFAOYSA-N 0 0 192.243 2.592 10 0 AFAERN COc1ccccc1Cn1cccc1 35120127 171057989 /nfs/dbraw/zinc/05/79/89/171057989.db2.gz SOIKAIMJXSFGTP-UHFFFAOYSA-N 0 0 187.242 2.545 10 0 AFAERN CC(=O)c1cc(C)ccc1OC(C)C 35205757 171058143 /nfs/dbraw/zinc/05/81/43/171058143.db2.gz PEYLQIQXNUTDDH-UHFFFAOYSA-N 0 0 192.258 2.985 10 0 AFAERN Fc1ccc(CCn2cccc2)cc1 35120955 171058523 /nfs/dbraw/zinc/05/85/23/171058523.db2.gz UHOWJMUHEJPEGU-UHFFFAOYSA-N 0 0 189.233 2.870 10 0 AFAERN c1csc(CCn2cccc2)c1 35651194 171058818 /nfs/dbraw/zinc/05/88/18/171058818.db2.gz SQQHJZRKZLZADE-UHFFFAOYSA-N 0 0 177.272 2.792 10 0 AFAERN Cc1ccccc1[C@@H](CO)C(C)C 36155996 171059736 /nfs/dbraw/zinc/05/97/36/171059736.db2.gz UKPRZIJNSZRIDD-LBPRGKRZSA-N 0 0 178.275 2.727 10 0 AFAERN Cc1ccccc1[C@H](CO)C(C)C 36155998 171059780 /nfs/dbraw/zinc/05/97/80/171059780.db2.gz UKPRZIJNSZRIDD-GFCCVEGCSA-N 0 0 178.275 2.727 10 0 AFAERN Oc1ccc(Nc2nccs2)cc1 36241770 171059827 /nfs/dbraw/zinc/05/98/27/171059827.db2.gz IDUMPCSYKCHEPR-UHFFFAOYSA-N 0 0 192.243 2.592 10 0 AFAERN CC(C)=C1CCC2(CC1)OCCO2 36056293 171059865 /nfs/dbraw/zinc/05/98/65/171059865.db2.gz FIHGNWOHULHDCP-UHFFFAOYSA-N 0 0 182.263 2.640 10 0 AFAERN c1cnc2c(c1)O[C@@H]1CCCC[C@H]21 36438102 171060746 /nfs/dbraw/zinc/06/07/46/171060746.db2.gz RVLQVPBVHIDVQX-DTWKUNHWSA-N 0 0 175.231 2.500 10 0 AFAERN CCCCc1ccc(=O)oc1Cl 36332093 171060931 /nfs/dbraw/zinc/06/09/31/171060931.db2.gz KJSUTFMAKOKWBZ-UHFFFAOYSA-N 0 0 186.638 2.636 10 0 AFAERN C/C=C/CCC(=O)C(C)(C)C 36683738 171061778 /nfs/dbraw/zinc/06/17/78/171061778.db2.gz IIHGMUGLIFKVBN-AATRIKPKSA-N 0 0 154.253 2.958 10 0 AFAERN Oc1cccc(OC/C=C/Cl)c1 36896986 171062483 /nfs/dbraw/zinc/06/24/83/171062483.db2.gz NQFYCZTYIIFCCI-GORDUTHDSA-N 0 0 184.622 2.524 10 0 AFAERN Oc1cccc(OCc2ccco2)c1 36896955 171062599 /nfs/dbraw/zinc/06/25/99/171062599.db2.gz GPGZODCQBLFLDH-UHFFFAOYSA-N 0 0 190.198 2.564 10 0 AFAERN Oc1ccc(NC2CCCC2)cc1 37131827 171062911 /nfs/dbraw/zinc/06/29/11/171062911.db2.gz YQBHXZBIVPPBEY-UHFFFAOYSA-N 0 0 177.247 2.747 10 0 AFAERN CCNc1ccc(C)c2ncccc12 37101432 171063026 /nfs/dbraw/zinc/06/30/26/171063026.db2.gz VXCOGVQACWCEPX-UHFFFAOYSA-N 0 0 186.258 2.975 10 0 AFAERN CC(C)c1c[nH]c(C(C)C)n1 38886275 171063043 /nfs/dbraw/zinc/06/30/43/171063043.db2.gz XIODJABKYXBISG-UHFFFAOYSA-N 0 0 152.241 2.657 10 0 AFAERN Cc1ccccc1CC1(O)CCCC1 37463366 171063767 /nfs/dbraw/zinc/06/37/67/171063767.db2.gz KMEZZQVAGXPHJI-UHFFFAOYSA-N 0 0 190.286 2.843 10 0 AFAERN Cc1ccccc1C[C@@](C)(O)C1CC1 37463695 171063865 /nfs/dbraw/zinc/06/38/65/171063865.db2.gz GPZKIGRTOVCEDS-CYBMUJFWSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccccc1C[C@@H](O)C(C)(C)C 37465644 171063870 /nfs/dbraw/zinc/06/38/70/171063870.db2.gz CKKFWXXMCXDMDJ-GFCCVEGCSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1ccccc1C(=O)c1ccncc1 37464046 171063887 /nfs/dbraw/zinc/06/38/87/171063887.db2.gz IEDFSFWHYQLYCE-UHFFFAOYSA-N 0 0 197.237 2.621 10 0 AFAERN OC1(Cc2ccc(F)cc2)CCCC1 37463368 171063900 /nfs/dbraw/zinc/06/39/00/171063900.db2.gz CJWKITFASARVOD-UHFFFAOYSA-N 0 0 194.249 2.673 10 0 AFAERN OC1(Cc2cccc(F)c2)CCCC1 37463370 171063937 /nfs/dbraw/zinc/06/39/37/171063937.db2.gz TUAGVKITYWWMKU-UHFFFAOYSA-N 0 0 194.249 2.673 10 0 AFAERN CO[C@@H](C)C(=O)c1cc(C)ccc1C 37346690 171064004 /nfs/dbraw/zinc/06/40/04/171064004.db2.gz HHSDZUSHPVAHEP-JTQLQIEISA-N 0 0 192.258 2.521 10 0 AFAERN Cc1ccccc1C[C@](C)(O)C1CC1 37463693 171064045 /nfs/dbraw/zinc/06/40/45/171064045.db2.gz GPZKIGRTOVCEDS-ZDUSSCGKSA-N 0 0 190.286 2.699 10 0 AFAERN OC1(C2CCCC2)CCCCC1 37375367 171064077 /nfs/dbraw/zinc/06/40/77/171064077.db2.gz MTDYFOATOPDMQZ-UHFFFAOYSA-N 0 0 168.280 2.872 10 0 AFAERN OC1(Cc2ccccc2F)CCCC1 37463362 171064099 /nfs/dbraw/zinc/06/40/99/171064099.db2.gz UYGPXCJTLSLQSK-UHFFFAOYSA-N 0 0 194.249 2.673 10 0 AFAERN CO[C@@H](C)C(=O)c1ccc(Cl)cc1 37346633 171064126 /nfs/dbraw/zinc/06/41/26/171064126.db2.gz SSMKGLSSIJRTIP-ZETCQYMHSA-N 0 0 198.649 2.558 10 0 AFAERN Cc1ccccc1C[C@](C)(O)C(C)C 37463647 171064296 /nfs/dbraw/zinc/06/42/96/171064296.db2.gz NHUOCIARVNHNRY-ZDUSSCGKSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1ccccc1C[C@H](O)C(C)(C)C 37465642 171064343 /nfs/dbraw/zinc/06/43/43/171064343.db2.gz CKKFWXXMCXDMDJ-LBPRGKRZSA-N 0 0 192.302 2.945 10 0 AFAERN CO[C@@H](C)C(=O)c1ccc(C)c(C)c1 37346698 171064346 /nfs/dbraw/zinc/06/43/46/171064346.db2.gz YPJWHNNXKUHFPN-JTQLQIEISA-N 0 0 192.258 2.521 10 0 AFAERN CO[C@@H](C)C(=O)c1cccc(Cl)c1 37346678 171064371 /nfs/dbraw/zinc/06/43/71/171064371.db2.gz LZFQXEKXCSBZJG-ZETCQYMHSA-N 0 0 198.649 2.558 10 0 AFAERN Cc1ccccc1C[C@@](C)(O)C(C)C 37463649 171064417 /nfs/dbraw/zinc/06/44/17/171064417.db2.gz NHUOCIARVNHNRY-CYBMUJFWSA-N 0 0 192.302 2.945 10 0 AFAERN OC1(CCc2ccccc2)CCCC1 37463875 171064431 /nfs/dbraw/zinc/06/44/31/171064431.db2.gz VEJMNZSBGLLYPK-UHFFFAOYSA-N 0 0 190.286 2.924 10 0 AFAERN c1cncc(NC(C2CC2)C2CC2)c1 37466462 171065009 /nfs/dbraw/zinc/06/50/09/171065009.db2.gz LQOZXDWPPJAPDD-UHFFFAOYSA-N 0 0 188.274 2.682 10 0 AFAERN Cc1ccccc1NCC(F)F 37755816 171065836 /nfs/dbraw/zinc/06/58/36/171065836.db2.gz IZHNCDOGIRIHOM-UHFFFAOYSA-N 0 0 171.190 2.672 10 0 AFAERN CC(C)(C)C(=O)Cc1ccc(F)cc1 37992350 171067627 /nfs/dbraw/zinc/06/76/27/171067627.db2.gz NFKNDZIIELCHGY-UHFFFAOYSA-N 0 0 194.249 2.983 10 0 AFAERN CC(C)(C)C(=O)Cc1cccc(F)c1 37992354 171067780 /nfs/dbraw/zinc/06/77/80/171067780.db2.gz IOZALMQAZUFYBY-UHFFFAOYSA-N 0 0 194.249 2.983 10 0 AFAERN CC(C)(C)C(=O)Cc1cccs1 38125297 171068342 /nfs/dbraw/zinc/06/83/42/171068342.db2.gz VJXYTIYSXMBFGL-UHFFFAOYSA-N 0 0 182.288 2.906 10 0 AFAERN CC(C)C(=O)Cc1cccs1 38126073 171068362 /nfs/dbraw/zinc/06/83/62/171068362.db2.gz XOYXUTUANRHAEM-UHFFFAOYSA-N 0 0 168.261 2.516 10 0 AFAERN Cc1ccccc1CC(=O)[C@H]1C[C@@H]1C 38126901 171068374 /nfs/dbraw/zinc/06/83/74/171068374.db2.gz CCQBHIJONRBEBI-JQWIXIFHSA-N 0 0 188.270 2.763 10 0 AFAERN CC(C)(C)C(=O)Cc1ccsc1 38125230 171068500 /nfs/dbraw/zinc/06/85/00/171068500.db2.gz DDMDSEOYVKXJDK-UHFFFAOYSA-N 0 0 182.288 2.906 10 0 AFAERN O[C@@H](C1=CCCC1)c1cccs1 38234540 171068554 /nfs/dbraw/zinc/06/85/54/171068554.db2.gz ZYYPTPIWBRZZFN-JTQLQIEISA-N 0 0 180.272 2.892 10 0 AFAERN CC(C)C(=O)Cc1ccsc1 38125598 171068608 /nfs/dbraw/zinc/06/86/08/171068608.db2.gz UTFXCMISUBSAJL-UHFFFAOYSA-N 0 0 168.261 2.516 10 0 AFAERN Cc1ccccc1CC(=O)C1CCC1 38126898 171068614 /nfs/dbraw/zinc/06/86/14/171068614.db2.gz ASFLROUVOVCQGC-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN Cc1ccccc1CC(=O)[C@@H]1C[C@@H]1C 38126900 171068742 /nfs/dbraw/zinc/06/87/42/171068742.db2.gz CCQBHIJONRBEBI-CMPLNLGQSA-N 0 0 188.270 2.763 10 0 AFAERN Cc1ccccc1CC(=O)[C@@H]1C[C@H]1C 38126902 171068774 /nfs/dbraw/zinc/06/87/74/171068774.db2.gz CCQBHIJONRBEBI-ZYHUDNBSSA-N 0 0 188.270 2.763 10 0 AFAERN Cc1ccccc1CC(=O)[C@H]1C[C@H]1C 38126903 171068889 /nfs/dbraw/zinc/06/88/89/171068889.db2.gz CCQBHIJONRBEBI-PWSUYJOCSA-N 0 0 188.270 2.763 10 0 AFAERN O=C1CC[C@@H](C2CCCCC2)C1 38251192 171068908 /nfs/dbraw/zinc/06/89/08/171068908.db2.gz ZKWXHMQLBLFZHP-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN C=Cc1ccccc1C1OCCCO1 38350613 171069118 /nfs/dbraw/zinc/06/91/18/171069118.db2.gz ZROFHAROXAPWFW-UHFFFAOYSA-N 0 0 190.242 2.765 10 0 AFAERN C/C=C/CC1=N[C@@H](C)O[C@@H](C)S1 38337412 171069136 /nfs/dbraw/zinc/06/91/36/171069136.db2.gz ZYYZGSDLZKGYSS-IVZJMYDKSA-N 0 0 185.292 2.807 10 0 AFAERN C/C=C/CC1=N[C@@H](C)O[C@H](C)S1 38337408 171069196 /nfs/dbraw/zinc/06/91/96/171069196.db2.gz ZYYZGSDLZKGYSS-VWFQECGMSA-N 0 0 185.292 2.807 10 0 AFAERN CCC/C=C/c1nc(C)cnc1C 38416123 171069302 /nfs/dbraw/zinc/06/93/02/171069302.db2.gz UMTDAONBRYDKKC-VOTSOKGWSA-N 0 0 176.263 2.907 10 0 AFAERN CCC/C=C\CNC(=O)OC(C)(C)C 38416675 171069353 /nfs/dbraw/zinc/06/93/53/171069353.db2.gz IKJKCVLGPBBYBU-FPLPWBNLSA-N 0 0 199.294 2.867 10 0 AFAERN C/C=C/CC1=N[C@H](C)O[C@@H](C)S1 38337410 171069420 /nfs/dbraw/zinc/06/94/20/171069420.db2.gz ZYYZGSDLZKGYSS-ODAVYXMRSA-N 0 0 185.292 2.807 10 0 AFAERN OC/C=C/c1cccc2ccccc12 38434459 171069482 /nfs/dbraw/zinc/06/94/82/171069482.db2.gz DJRCHIBWBVZSIY-XBXARRHUSA-N 0 0 184.238 2.845 10 0 AFAERN C/C=C/CC1=N[C@H](C)O[C@H](C)S1 38337406 171069503 /nfs/dbraw/zinc/06/95/03/171069503.db2.gz ZYYZGSDLZKGYSS-VEVSIANRSA-N 0 0 185.292 2.807 10 0 AFAERN CC(C)c1ccccc1NC#N 38433877 171069563 /nfs/dbraw/zinc/06/95/63/171069563.db2.gz USIISOZKOKCVTP-UHFFFAOYSA-N 0 0 160.220 2.703 10 0 AFAERN c1cncc(N2CCc3ccccc32)c1 38312787 171069598 /nfs/dbraw/zinc/06/95/98/171069598.db2.gz SSJSEBULPBTVRB-UHFFFAOYSA-N 0 0 196.253 2.776 10 0 AFAERN CC/C=C/CCO[C@@H](CC)OC 38652352 171069848 /nfs/dbraw/zinc/06/98/48/171069848.db2.gz LDUYDLGCMTVIIO-FGEFZZPRSA-N 0 0 172.268 2.742 10 0 AFAERN CCC/C=C\CCC(C)=O 38611989 171069854 /nfs/dbraw/zinc/06/98/54/171069854.db2.gz RXFZCBZCGBDPDT-WAYWQWQTSA-N 0 0 140.226 2.712 10 0 AFAERN CC(C)c1cn(C(C)(C)C)cn1 38522925 171069869 /nfs/dbraw/zinc/06/98/69/171069869.db2.gz YZUFLELNAVPZKB-UHFFFAOYSA-N 0 0 166.268 2.762 10 0 AFAERN CCOC(=N)CCc1ccccc1 38583401 171070011 /nfs/dbraw/zinc/07/00/11/171070011.db2.gz BBTZTVGXKNYWHY-UHFFFAOYSA-N 0 0 177.247 2.633 10 0 AFAERN CCC/C=C\[C@@H](O)CCCC 38636533 171070073 /nfs/dbraw/zinc/07/00/73/171070073.db2.gz QPGJFUFFQCNPOR-RNKPRXRFSA-N 0 0 156.269 2.894 10 0 AFAERN CC(=O)OCC1(C)CCCCC1 38611179 171070154 /nfs/dbraw/zinc/07/01/54/171070154.db2.gz QWFFCQPCSPVBQO-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN CC/C=C/CCO[C@H](CC)OC 38652354 171070158 /nfs/dbraw/zinc/07/01/58/171070158.db2.gz LDUYDLGCMTVIIO-VQCYPWCPSA-N 0 0 172.268 2.742 10 0 AFAERN CC1(C)[C@@H]2C[C@H]3C[C@@H](C2)C(=O)[C@@H]1C3 38665666 171070196 /nfs/dbraw/zinc/07/01/96/171070196.db2.gz RWAVQMCMXZWIDC-RGOKHQFPSA-N 0 0 178.275 2.648 10 0 AFAERN c1cc(C2CCCC2)ccn1 38890875 171070471 /nfs/dbraw/zinc/07/04/71/171070471.db2.gz VXXHOJPCIJTQEC-UHFFFAOYSA-N 0 0 147.221 2.739 10 0 AFAERN Fc1cc(F)c2[nH]c(=S)[nH]c2c1 38950249 171070520 /nfs/dbraw/zinc/07/05/20/171070520.db2.gz YTQXVSYNOOAPJD-UHFFFAOYSA-N 0 0 186.186 2.504 10 0 AFAERN O=C1CC[C@@H](CC2CCCC2)C1 38880979 171070574 /nfs/dbraw/zinc/07/05/74/171070574.db2.gz HSEUKBSUPGSXIF-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN C/C=C\Cc1ncccc1C 39052075 171071120 /nfs/dbraw/zinc/07/11/20/171071120.db2.gz KSYYXNGRUZMQMR-ARJAWSKDSA-N 0 0 147.221 2.509 10 0 AFAERN CCC/C=C\c1ccccn1 39051428 171071160 /nfs/dbraw/zinc/07/11/60/171071160.db2.gz QUBGFUVITBEKID-DAXSKMNVSA-N 0 0 147.221 2.895 10 0 AFAERN C/C=C(/C)c1ncccc1C 39052070 171071367 /nfs/dbraw/zinc/07/13/67/171071367.db2.gz NVIBCEQWJLPKAB-YWEYNIOJSA-N 0 0 147.221 2.813 10 0 AFAERN CCC/C=C/c1ccncc1 39050883 171071453 /nfs/dbraw/zinc/07/14/53/171071453.db2.gz YJIRCVQLNQLYOD-SNAWJCMRSA-N 0 0 147.221 2.895 10 0 AFAERN CC(C)c1cccc(N=O)n1 39050049 171071515 /nfs/dbraw/zinc/07/15/15/171071515.db2.gz WIOLQWCZFCBIOY-UHFFFAOYSA-N 0 0 150.181 2.603 10 0 AFAERN COc1ccc2[nH]c(Cl)cc2c1 39038795 171071538 /nfs/dbraw/zinc/07/15/38/171071538.db2.gz CWUQGTBACPMUEV-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN C/C=C\[C@@H](C)c1ccncc1 39054501 171071694 /nfs/dbraw/zinc/07/16/94/171071694.db2.gz VFLUBTSIHBLVIM-ZBJFTSOASA-N 0 0 147.221 2.761 10 0 AFAERN O=Cc1ccccc1C=C1CC1 39063272 171072181 /nfs/dbraw/zinc/07/21/81/171072181.db2.gz IELXTWAHZINEPZ-UHFFFAOYSA-N 0 0 158.200 2.676 10 0 AFAERN O=Cc1cccc2cccc-2c1 39062886 171072255 /nfs/dbraw/zinc/07/22/55/171072255.db2.gz PIMSCHPMEIWQFS-UHFFFAOYSA-N 0 0 156.184 2.604 10 0 AFAERN CC=C=Cc1cccc(C=O)c1 39063257 171072282 /nfs/dbraw/zinc/07/22/82/171072282.db2.gz CKPNDMNKPGPAIJ-UHFFFAOYSA-N 0 0 158.200 2.687 10 0 AFAERN C=Cc1cc(C=C)cc(C=O)c1 39063207 171072402 /nfs/dbraw/zinc/07/24/02/171072402.db2.gz CTYVYLLRFAOSND-UHFFFAOYSA-N 0 0 158.200 2.785 10 0 AFAERN C=Cc1c(F)cccc1NC 39088451 171074104 /nfs/dbraw/zinc/07/41/04/171074104.db2.gz MVMWVVUCXNCCOA-UHFFFAOYSA-N 0 0 151.184 2.510 10 0 AFAERN COc1ccccc1C=C1CC1 39089465 171074357 /nfs/dbraw/zinc/07/43/57/171074357.db2.gz YGGIKUXPJIMGBA-UHFFFAOYSA-N 0 0 160.216 2.872 10 0 AFAERN C/C=C\CNc1ccccc1F 39088223 171074443 /nfs/dbraw/zinc/07/44/43/171074443.db2.gz ZXPHSXYIDGUBCV-IHWYPQMZSA-N 0 0 165.211 2.814 10 0 AFAERN COc1ccccc1CC1=CC1 39089430 171074444 /nfs/dbraw/zinc/07/44/44/171074444.db2.gz CHXXUWPLBSWRJQ-UHFFFAOYSA-N 0 0 160.216 2.568 10 0 AFAERN C=Cc1cc(F)ccc1NC 39088453 171074469 /nfs/dbraw/zinc/07/44/69/171074469.db2.gz PGJBGXUEXDLJPM-UHFFFAOYSA-N 0 0 151.184 2.510 10 0 AFAERN COC1=CC=C[C@H](C(C)C)C=C1 39103945 171074603 /nfs/dbraw/zinc/07/46/03/171074603.db2.gz BTNDEOBBGXVTFK-JTQLQIEISA-N 0 0 164.248 2.915 10 0 AFAERN COC1=CC=CC=C[C@H]1C(C)C 39103940 171074618 /nfs/dbraw/zinc/07/46/18/171074618.db2.gz UZYAVCMMRVGMBT-JTQLQIEISA-N 0 0 164.248 2.915 10 0 AFAERN C/C=C\[C@@H](CC)NC(=O)OC(C)(C)C 39091264 171074638 /nfs/dbraw/zinc/07/46/38/171074638.db2.gz KUJYSYCIKDBIGR-JGAIRUGNSA-N 0 0 199.294 2.866 10 0 AFAERN C=Cc1cc(C)c(OC#N)c(C)c1 39089843 171074642 /nfs/dbraw/zinc/07/46/42/171074642.db2.gz JPPDGTCVUIJJFV-UHFFFAOYSA-N 0 0 173.215 2.806 10 0 AFAERN CC(C)c1cccc(C=O)c1F 39104141 171074644 /nfs/dbraw/zinc/07/46/44/171074644.db2.gz AUBMVOCTBUWDHQ-UHFFFAOYSA-N 0 0 166.195 2.762 10 0 AFAERN CC(C)/C=C\NC(=O)OC(C)(C)C 39094519 171074689 /nfs/dbraw/zinc/07/46/89/171074689.db2.gz NXWMSFDJNQFCKQ-SREVYHEPSA-N 0 0 185.267 2.681 10 0 AFAERN CC(C)c1cccc(O)c1N=O 39104021 171074724 /nfs/dbraw/zinc/07/47/24/171074724.db2.gz UARALVGEUYJOJB-UHFFFAOYSA-N 0 0 165.192 2.914 10 0 AFAERN COC1=CC=C[C@@H](C(C)C)C=C1 39103944 171074729 /nfs/dbraw/zinc/07/47/29/171074729.db2.gz BTNDEOBBGXVTFK-SNVBAGLBSA-N 0 0 164.248 2.915 10 0 AFAERN CO[C@@H]1SN=CC=C1C(C)(C)C 39090229 171074750 /nfs/dbraw/zinc/07/47/50/171074750.db2.gz LCYHALQYCRTBCY-MRVPVSSYSA-N 0 0 185.292 2.664 10 0 AFAERN CC(C)c1ccccc1N(C)C 39103903 171074752 /nfs/dbraw/zinc/07/47/52/171074752.db2.gz IOAGYDXMJWZUJJ-UHFFFAOYSA-N 0 0 163.264 2.876 10 0 AFAERN CC(C)/C=C/CNC(=O)OC(C)(C)C 39091257 171074761 /nfs/dbraw/zinc/07/47/61/171074761.db2.gz LJXQAOXADGZRMQ-VOTSOKGWSA-N 0 0 199.294 2.723 10 0 AFAERN CC(C)c1cccc(N(C)C)c1 39103871 171074837 /nfs/dbraw/zinc/07/48/37/171074837.db2.gz ZZWJZCURFRSZPD-UHFFFAOYSA-N 0 0 163.264 2.876 10 0 AFAERN CC1(C)OC(=O)Nc2c(F)cccc21 39091134 171074849 /nfs/dbraw/zinc/07/48/49/171074849.db2.gz KGGCHFAUEBWYDP-UHFFFAOYSA-N 0 0 195.193 2.623 10 0 AFAERN CCSC(=N)c1ccc(OC)cc1 39090527 171074863 /nfs/dbraw/zinc/07/48/63/171074863.db2.gz MSQCAFHBWMNKEM-UHFFFAOYSA-N 0 0 195.287 2.774 10 0 AFAERN COc1ccccc1C(=O)CC1CC1 39090411 171074932 /nfs/dbraw/zinc/07/49/32/171074932.db2.gz XHWXHMYEKCVXSS-UHFFFAOYSA-N 0 0 190.242 2.678 10 0 AFAERN CC(C)c1cccc2c1OCC2 39103813 171075049 /nfs/dbraw/zinc/07/50/49/171075049.db2.gz MTRIGJKQTOPWON-UHFFFAOYSA-N 0 0 162.232 2.745 10 0 AFAERN COC1=CC=CC=C[C@@H]1C(C)C 39103941 171075060 /nfs/dbraw/zinc/07/50/60/171075060.db2.gz UZYAVCMMRVGMBT-SNVBAGLBSA-N 0 0 164.248 2.915 10 0 AFAERN CC(C)c1ccnn1C(C)(C)C 39104097 171075116 /nfs/dbraw/zinc/07/51/16/171075116.db2.gz UWOLJBLCRLYZLR-UHFFFAOYSA-N 0 0 166.268 2.762 10 0 AFAERN O=c1cccc(SC2CCCC2)[nH]1 39116789 171075217 /nfs/dbraw/zinc/07/52/17/171075217.db2.gz QIMAZRLMHDFRPB-UHFFFAOYSA-N 0 0 195.287 2.822 10 0 AFAERN CCCc1ncc(C)nc1CCC 39114116 171075229 /nfs/dbraw/zinc/07/52/29/171075229.db2.gz KUMLTGCEZYUQJE-UHFFFAOYSA-N 0 0 178.279 2.690 10 0 AFAERN c1[nH]cc2c1C[C@@H]1CCCC[C@H]1C2 39111406 171075498 /nfs/dbraw/zinc/07/54/98/171075498.db2.gz IODVGOCEXPCACK-UWVGGRQHSA-N 0 0 175.275 2.920 10 0 AFAERN c1[nH]cc2c1C[C@@H]1CCCC[C@@H]1C2 39111404 171075559 /nfs/dbraw/zinc/07/55/59/171075559.db2.gz IODVGOCEXPCACK-AOOOYVTPSA-N 0 0 175.275 2.920 10 0 AFAERN c1[nH]cc2c1C[C@H]1CCCC[C@@H]1C2 39111405 171075592 /nfs/dbraw/zinc/07/55/92/171075592.db2.gz IODVGOCEXPCACK-NXEZZACHSA-N 0 0 175.275 2.920 10 0 AFAERN c1cc(C2CCCCC2)no1 39112849 171075626 /nfs/dbraw/zinc/07/56/26/171075626.db2.gz WFKULAPNXJUMIZ-UHFFFAOYSA-N 0 0 151.209 2.722 10 0 AFAERN C/C=C/CCc1nc(C)c(C)nc1C 39115437 171075723 /nfs/dbraw/zinc/07/57/23/171075723.db2.gz XYQJWHBJKTVADC-AATRIKPKSA-N 0 0 190.290 2.911 10 0 AFAERN CC/C=C/c1c(C)noc1C 39112837 171075796 /nfs/dbraw/zinc/07/57/96/171075796.db2.gz FUHLLRNVIQPUCY-AATRIKPKSA-N 0 0 151.209 2.715 10 0 AFAERN CC(=O)Nc1ccc2c(c1)CCC=C2 39126289 171075982 /nfs/dbraw/zinc/07/59/82/171075982.db2.gz TUUYYSHDRPRESR-UHFFFAOYSA-N 0 0 187.242 2.604 10 0 AFAERN COc1ccc2c(C)cncc2c1 39119737 171075999 /nfs/dbraw/zinc/07/59/99/171075999.db2.gz GJDJYKSDCUETJM-UHFFFAOYSA-N 0 0 173.215 2.552 10 0 AFAERN CC(=O)Nc1cccc(C2CC2)c1C 39126452 171076011 /nfs/dbraw/zinc/07/60/11/171076011.db2.gz ZDGNTFHZXGHARE-UHFFFAOYSA-N 0 0 189.258 2.831 10 0 AFAERN Oc1c(F)ccc2sccc12 39129169 171076241 /nfs/dbraw/zinc/07/62/41/171076241.db2.gz CSGBFIXOEUMCSU-UHFFFAOYSA-N 0 0 168.192 2.746 10 0 AFAERN CC=C=CN(C(C)=O)c1ccccc1 39125998 171076266 /nfs/dbraw/zinc/07/62/66/171076266.db2.gz AHCJZHGVJBCJJR-UHFFFAOYSA-N 0 0 187.242 2.728 10 0 AFAERN CC(=O)Nc1ccc2c(c1)C=CCC2 39125902 171076357 /nfs/dbraw/zinc/07/63/57/171076357.db2.gz RQDSKZPCOMDYBG-UHFFFAOYSA-N 0 0 187.242 2.604 10 0 AFAERN Nc1ccc2c(F)cccc2c1 39119024 171076378 /nfs/dbraw/zinc/07/63/78/171076378.db2.gz UZWUXDXLLCFQTI-UHFFFAOYSA-N 0 0 161.179 2.561 10 0 AFAERN COc1ccc2c(C=O)cccc2c1 39119984 171076391 /nfs/dbraw/zinc/07/63/91/171076391.db2.gz RQSRLHYBIGCTIS-UHFFFAOYSA-N 0 0 186.210 2.661 10 0 AFAERN CC(C)(C)C(=O)C[C@H]1CCCC[C@@H]1O 39169054 171076637 /nfs/dbraw/zinc/07/66/37/171076637.db2.gz MSIOFXYGXPSBQQ-ZJUUUORDSA-N 0 0 198.306 2.543 10 0 AFAERN c1csc(C2CCCC2)n1 39134454 171076654 /nfs/dbraw/zinc/07/66/54/171076654.db2.gz WOQYIBOZNROQES-UHFFFAOYSA-N 0 0 153.250 2.801 10 0 AFAERN COc1ccc2c(C)coc2c1C=O 39194280 171076657 /nfs/dbraw/zinc/07/66/57/171076657.db2.gz NIPRKHLQIDIAOH-UHFFFAOYSA-N 0 0 190.198 2.562 10 0 AFAERN Cc1ccc2[nH]c(C=O)c(Cl)c2c1 39185503 171076677 /nfs/dbraw/zinc/07/66/77/171076677.db2.gz PAEGAYAYYZYGOZ-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN C=CSc1nc(C)cs1 39134876 171076802 /nfs/dbraw/zinc/07/68/02/171076802.db2.gz ZRJTXXNHUGJAPB-UHFFFAOYSA-N 0 0 157.263 2.687 10 0 AFAERN c1c[nH]c(C2CCCC2)c1 39201581 171076810 /nfs/dbraw/zinc/07/68/10/171076810.db2.gz LPOBJAFTQFHQFO-UHFFFAOYSA-N 0 0 135.210 2.672 10 0 AFAERN OC/C=C/c1ccc2ccccc2c1 39168655 171076956 /nfs/dbraw/zinc/07/69/56/171076956.db2.gz UYJPHUXBZDSIGR-ONEGZZNKSA-N 0 0 184.238 2.845 10 0 AFAERN CC(C)(C)C(=O)C[C@@H]1CCCC[C@@H]1O 39169053 171076968 /nfs/dbraw/zinc/07/69/68/171076968.db2.gz MSIOFXYGXPSBQQ-UWVGGRQHSA-N 0 0 198.306 2.543 10 0 AFAERN S=C1Cc2ccccc2O1 39136296 171077138 /nfs/dbraw/zinc/07/71/38/171077138.db2.gz ZNZJQJLLXWDANB-UHFFFAOYSA-N 0 0 150.202 2.722 10 0 AFAERN S=c1cccc2[nH]cccc1-2 39207856 171077377 /nfs/dbraw/zinc/07/73/77/171077377.db2.gz XAXWWYIMGUQNMY-UHFFFAOYSA-N 0 0 161.229 2.524 10 0 AFAERN CC[C@@H](C)C(=O)CC(C)C 39249687 171077435 /nfs/dbraw/zinc/07/74/35/171077435.db2.gz AHXADOAHIKYQRT-MRVPVSSYSA-N 0 0 142.242 2.648 10 0 AFAERN COc1ccc(O)c2c(C)cccc12 39247140 171077482 /nfs/dbraw/zinc/07/74/82/171077482.db2.gz GELGRRHJTFPKQU-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN COc1ccc(O)c2cccc(C)c12 39247139 171077495 /nfs/dbraw/zinc/07/74/95/171077495.db2.gz DYKYKRBSMPEWMF-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CC/C=C/c1ccccc1O 39222179 171077689 /nfs/dbraw/zinc/07/76/89/171077689.db2.gz FHQBZLCAJCGWKV-ZZXKWVIFSA-N 0 0 148.205 2.815 10 0 AFAERN C/C=C/CC1(O)CCCCC1 39212805 171077724 /nfs/dbraw/zinc/07/77/24/171077724.db2.gz VHQVUTBZHNETTD-NSCUHMNNSA-N 0 0 154.253 2.648 10 0 AFAERN CC/C=C/c1ccccn1 39243546 171077744 /nfs/dbraw/zinc/07/77/44/171077744.db2.gz NGFUZFAPKBLICJ-ZZXKWVIFSA-N 0 0 133.194 2.505 10 0 AFAERN C/C=C/C(=O)Nc1c(C)csc1C 39296168 171077903 /nfs/dbraw/zinc/07/79/03/171077903.db2.gz NGUNOAMVVHZMIA-SNAWJCMRSA-N 0 0 195.287 2.880 10 0 AFAERN Nc1ccc(Cl)c2c1CCCC2 39271181 171077926 /nfs/dbraw/zinc/07/79/26/171077926.db2.gz NXWQHRPVDXHFLV-UHFFFAOYSA-N 0 0 181.666 2.801 10 0 AFAERN Clc1nc2cccc3c2n1CC=C3 39290341 171078257 /nfs/dbraw/zinc/07/82/57/171078257.db2.gz BBYQTJYSQBHDQP-UHFFFAOYSA-N 0 0 190.633 2.717 10 0 AFAERN c1ccc([C@@H]2CCc3nccn3C2)cc1 39281878 171078359 /nfs/dbraw/zinc/07/83/59/171078359.db2.gz BZMHRUWVNNKWDQ-GFCCVEGCSA-N 0 0 198.269 2.613 10 0 AFAERN c1cnc2c3c(ccc2c1)NCCC3 39291811 171078443 /nfs/dbraw/zinc/07/84/43/171078443.db2.gz ZRFUSUAONGEWTH-UHFFFAOYSA-N 0 0 184.242 2.593 10 0 AFAERN c1cnc2c(c1)COc1ccccc1-2 39618366 171079325 /nfs/dbraw/zinc/07/93/25/171079325.db2.gz IODYDGPSYXFNSM-UHFFFAOYSA-N 0 0 183.210 2.641 10 0 AFAERN COc1ccc(O)c2cc(C)ccc12 39629622 171079666 /nfs/dbraw/zinc/07/96/66/171079666.db2.gz IEZXCHPMFKNDKY-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN O[C@@H](CC(F)(F)F)c1cccs1 40247604 171080447 /nfs/dbraw/zinc/08/04/47/171080447.db2.gz JOOAASNCVYQQKM-YFKPBYRVSA-N 0 0 196.193 2.734 10 0 AFAERN COC1=CCc2ccccc2N=C1 39089822 171081370 /nfs/dbraw/zinc/08/13/70/171081370.db2.gz ZLMJDXJKEAXZCJ-UHFFFAOYSA-N 0 0 173.215 2.613 10 0 AFAERN CC(C)=CC(=O)Oc1ccc(F)cc1 40882743 171081965 /nfs/dbraw/zinc/08/19/65/171081965.db2.gz QVDCRQFILQYSQS-UHFFFAOYSA-N 0 0 194.205 2.697 10 0 AFAERN Nc1ccc(F)c(-c2ccco2)c1 41048868 171082316 /nfs/dbraw/zinc/08/23/16/171082316.db2.gz PJXXFQIERNHTAE-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CC(C)(C)[C@@H](CO)Nc1ccccc1 41051954 171082371 /nfs/dbraw/zinc/08/23/71/171082371.db2.gz IVVJKMBSJMZCQQ-LLVKDONJSA-N 0 0 193.290 2.506 10 0 AFAERN c1cncc(N[C@H]2C[C@H]3CC[C@@H]2C3)c1 41047036 171082649 /nfs/dbraw/zinc/08/26/49/171082649.db2.gz QKISGKFQADQVQF-UMNHJUIQSA-N 0 0 188.274 2.682 10 0 AFAERN [NH3+]C1(c2nccs2)CCCCCC1 41059658 171082767 /nfs/dbraw/zinc/08/27/67/171082767.db2.gz OIWKTNRTYVOECG-UHFFFAOYSA-N 0 0 196.319 2.651 10 0 AFAERN c1cncc(N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 41047035 171082801 /nfs/dbraw/zinc/08/28/01/171082801.db2.gz QKISGKFQADQVQF-HOSYDEDBSA-N 0 0 188.274 2.682 10 0 AFAERN Cc1ccccc1C[C@@H]1CCCC1=O 41204179 171082995 /nfs/dbraw/zinc/08/29/95/171082995.db2.gz ROVVMHASNMPOOZ-LBPRGKRZSA-N 0 0 188.270 2.907 10 0 AFAERN Cc1ccccc1[C@@H](O)c1ccco1 41204091 171083081 /nfs/dbraw/zinc/08/30/81/171083081.db2.gz BXALMRCRRIQYPZ-GFCCVEGCSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1ccccc1C[C@H]1CCCC1=O 41204181 171083099 /nfs/dbraw/zinc/08/30/99/171083099.db2.gz ROVVMHASNMPOOZ-GFCCVEGCSA-N 0 0 188.270 2.907 10 0 AFAERN Cc1ccccc1[C@H](O)c1ccco1 41204089 171083172 /nfs/dbraw/zinc/08/31/72/171083172.db2.gz BXALMRCRRIQYPZ-LBPRGKRZSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1ccccc1OC1CC1 41393166 171083764 /nfs/dbraw/zinc/08/37/64/171083764.db2.gz MKXNJTUGDOKSEC-UHFFFAOYSA-N 0 0 148.205 2.536 10 0 AFAERN CC1(C)OCC[C@@H](c2ccccc2)O1 39120273 171083830 /nfs/dbraw/zinc/08/38/30/171083830.db2.gz KCEXUGIHDXCPCJ-NSHDSACASA-N 0 0 192.258 2.901 10 0 AFAERN NC(=S)CCc1ccc(Cl)cc1 41210171 171084314 /nfs/dbraw/zinc/08/43/14/171084314.db2.gz DWSCMUGQVXYNRD-UHFFFAOYSA-N 0 0 199.706 2.559 10 0 AFAERN c1cc(C2CCCCC2)on1 39112840 171084328 /nfs/dbraw/zinc/08/43/28/171084328.db2.gz CZYGREPZDBWONZ-UHFFFAOYSA-N 0 0 151.209 2.722 10 0 AFAERN CNc1ccc(C(C)(C)C)o1 39127056 171084783 /nfs/dbraw/zinc/08/47/83/171084783.db2.gz VMQWNZCRFJVTJL-UHFFFAOYSA-N 0 0 153.225 2.619 10 0 AFAERN FC(F)(F)Sc1ccc[nH]1 39239429 171084827 /nfs/dbraw/zinc/08/48/27/171084827.db2.gz NFKQNENSDPVROC-UHFFFAOYSA-N 0 0 167.155 2.627 10 0 AFAERN FC(F)(Cl)Sc1ccc[nH]1 39239430 171084846 /nfs/dbraw/zinc/08/48/46/171084846.db2.gz CTEFKWNRNPJFST-UHFFFAOYSA-N 0 0 183.610 2.896 10 0 AFAERN Oc1cccc(OCC2CCCC2)c1 42011475 171084993 /nfs/dbraw/zinc/08/49/93/171084993.db2.gz IOPDZMLZXVHOQA-UHFFFAOYSA-N 0 0 192.258 2.961 10 0 AFAERN Fc1c(F)c(F)c2c[nH]cc2c1F 39213093 171085096 /nfs/dbraw/zinc/08/50/96/171085096.db2.gz ZOOZQZJGECAKEH-UHFFFAOYSA-N 0 0 189.111 2.724 10 0 AFAERN CC(C)O[C@@H](C)c1cccc(N)c1 42288377 171085424 /nfs/dbraw/zinc/08/54/24/171085424.db2.gz NGPGUMMIBVSPRM-VIFPVBQESA-N 0 0 179.263 2.755 10 0 AFAERN CC(C)O[C@H](C)c1cccc(N)c1 42288378 171085429 /nfs/dbraw/zinc/08/54/29/171085429.db2.gz NGPGUMMIBVSPRM-SECBINFHSA-N 0 0 179.263 2.755 10 0 AFAERN CC(C)O[C@H](C)c1ccc(N)cc1 42288453 171085496 /nfs/dbraw/zinc/08/54/96/171085496.db2.gz OKYYCQDCCHDSCA-SECBINFHSA-N 0 0 179.263 2.755 10 0 AFAERN O[C@@H](CC(F)(F)F)C1CCCCC1 42413157 171085513 /nfs/dbraw/zinc/08/55/13/171085513.db2.gz SQYYREGIJAYUSV-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN CC(C)O[C@@H](C)c1ccc(N)cc1 42288452 171085729 /nfs/dbraw/zinc/08/57/29/171085729.db2.gz OKYYCQDCCHDSCA-VIFPVBQESA-N 0 0 179.263 2.755 10 0 AFAERN c1cnc2ccc(N3CCCC3)cc2c1 82712934 171087179 /nfs/dbraw/zinc/08/71/79/171087179.db2.gz ALDMRZNDYBROKX-UHFFFAOYSA-N 0 0 198.269 2.835 10 0 AFAERN CC(=O)C[C@@H](C)Cc1ccsc1 82807396 171087377 /nfs/dbraw/zinc/08/73/77/171087377.db2.gz BFZFSSRBKQBQNM-MRVPVSSYSA-N 0 0 182.288 2.906 10 0 AFAERN CC(=O)C[C@H](C)Cc1ccsc1 82807397 171087453 /nfs/dbraw/zinc/08/74/53/171087453.db2.gz BFZFSSRBKQBQNM-QMMMGPOBSA-N 0 0 182.288 2.906 10 0 AFAERN CC(C)(C)Sc1cc(N)ccn1 43569704 171088050 /nfs/dbraw/zinc/08/80/50/171088050.db2.gz AWRBLCOEDCIBKD-UHFFFAOYSA-N 0 0 182.292 2.554 10 0 AFAERN Brc1ccc(C2CC2)o1 44120795 171088722 /nfs/dbraw/zinc/08/87/22/171088722.db2.gz MESHACPGVSYHJE-UHFFFAOYSA-N 0 0 187.036 2.920 10 0 AFAERN Oc1ccc(C2CCCCC2)nc1 44121453 171088805 /nfs/dbraw/zinc/08/88/05/171088805.db2.gz SHYNMEUKWPKFNR-UHFFFAOYSA-N 0 0 177.247 2.835 10 0 AFAERN CC(C)c1cccc2c1O[C@@H](C)C2=O 43633192 171088918 /nfs/dbraw/zinc/08/89/18/171088918.db2.gz LEVAYLIIBINYRY-QMMMGPOBSA-N 0 0 190.242 2.774 10 0 AFAERN Cc1ccccc1C[C@H]1CCC[C@H]1O 43656124 171088970 /nfs/dbraw/zinc/08/89/70/171088970.db2.gz LKAXAGBJDNRRHR-CHWSQXEVSA-N 0 0 190.286 2.699 10 0 AFAERN NC(=S)/C=C\c1ccc(Cl)cc1 83342851 171088984 /nfs/dbraw/zinc/08/89/84/171088984.db2.gz BTOXSBUWIDMXSC-UTCJRWHESA-N 0 0 197.690 2.639 10 0 AFAERN C/C=C/CC[C@@H](O)C(C)(C)C 43657495 171089010 /nfs/dbraw/zinc/08/90/10/171089010.db2.gz SHRBVEOXUWMDBF-VUHVRTRXSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1ccccc1C[C@H]1CCC[C@@H]1O 43656120 171089017 /nfs/dbraw/zinc/08/90/17/171089017.db2.gz LKAXAGBJDNRRHR-OLZOCXBDSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccccc1C[C@@H]1CCC[C@H]1O 43656122 171089099 /nfs/dbraw/zinc/08/90/99/171089099.db2.gz LKAXAGBJDNRRHR-QWHCGFSZSA-N 0 0 190.286 2.699 10 0 AFAERN C/C=C/CC[C@H](O)C(C)(C)C 43657494 171089108 /nfs/dbraw/zinc/08/91/08/171089108.db2.gz SHRBVEOXUWMDBF-CYNONHLPSA-N 0 0 156.269 2.750 10 0 AFAERN c1c[nH]c(-c2cc3ccncc3[nH]2)c1 44138810 171089157 /nfs/dbraw/zinc/08/91/57/171089157.db2.gz UOZJCNBDFHASHI-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN Brc1cc(C2CC2)co1 44120814 171089227 /nfs/dbraw/zinc/08/92/27/171089227.db2.gz BHAKZAWCTRYGIK-UHFFFAOYSA-N 0 0 187.036 2.920 10 0 AFAERN Cc1ccccc1C[C@@H]1CCC[C@@H]1O 43656118 171089236 /nfs/dbraw/zinc/08/92/36/171089236.db2.gz LKAXAGBJDNRRHR-STQMWFEESA-N 0 0 190.286 2.699 10 0 AFAERN C/C=C/CC[C@H](O)CCC 44469721 171090324 /nfs/dbraw/zinc/09/03/24/171090324.db2.gz LAEHXHLMJCVVJN-HYYFJVDXSA-N 0 0 142.242 2.504 10 0 AFAERN C/C=C/CC[C@@H](O)CCC 44469718 171090810 /nfs/dbraw/zinc/09/08/10/171090810.db2.gz LAEHXHLMJCVVJN-SGRBOOSSSA-N 0 0 142.242 2.504 10 0 AFAERN CC(C)c1cccc2[nH]cnc12 45074650 171091073 /nfs/dbraw/zinc/09/10/73/171091073.db2.gz DZVXXHSUENHLJH-UHFFFAOYSA-N 0 0 160.220 2.686 10 0 AFAERN c1cnc2cc3ncsc3cc2c1 45238227 171092142 /nfs/dbraw/zinc/09/21/42/171092142.db2.gz DNFTYTKEJZTRFZ-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN C=Cc1c(N)ccc2scnc12 45236361 171092151 /nfs/dbraw/zinc/09/21/51/171092151.db2.gz YTKHGNIXXNOIAT-UHFFFAOYSA-N 0 0 176.244 2.522 10 0 AFAERN CCc1cccc(NC2CC2)c1 149154849 344062996 /nfs/dbraw/zinc/06/29/96/344062996.db2.gz RYZFSEQVXCCJDR-UHFFFAOYSA-N 0 0 161.248 2.823 10 0 AFAERN c1cnc2c(c1)ccc1ncsc12 45237418 171092429 /nfs/dbraw/zinc/09/24/29/171092429.db2.gz BQFJXYBNTQREBM-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN Nc1ccc(Cl)c2ncsc12 45237353 171092444 /nfs/dbraw/zinc/09/24/44/171092444.db2.gz YCHUFNOHAQYZIL-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN c1cnc2c(c1)ccc1scnc12 45238242 171092478 /nfs/dbraw/zinc/09/24/78/171092478.db2.gz ZOWMUDMFTLGNIK-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN Nc1ccc(Cl)c2scnc12 45237351 171092479 /nfs/dbraw/zinc/09/24/79/171092479.db2.gz PXTXAYMRTQIBLM-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN CNc1ccc(O)c2ccccc12 45258786 171092513 /nfs/dbraw/zinc/09/25/13/171092513.db2.gz YEJJUWPHXGQPCZ-UHFFFAOYSA-N 0 0 173.215 2.587 10 0 in-vivo AFAERN c1cnc2cc3scnc3cc2c1 45238228 171092729 /nfs/dbraw/zinc/09/27/29/171092729.db2.gz UTXRINUZDIAWEV-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN CCCCCCNc1ncccc1N 84582128 171093093 /nfs/dbraw/zinc/09/30/93/171093093.db2.gz WKXXZCMRSPPESO-UHFFFAOYSA-N 0 0 193.294 2.656 10 0 AFAERN CC/C=C/c1cccc(O)c1 45672816 171093174 /nfs/dbraw/zinc/09/31/74/171093174.db2.gz NQDIPEZLIPEBNC-HWKANZROSA-N 0 0 148.205 2.815 10 0 AFAERN Fc1cc(F)c(F)c(OC(F)F)c1 47203395 171093184 /nfs/dbraw/zinc/09/31/84/171093184.db2.gz RINSWVZJKRESEJ-UHFFFAOYSA-N 0 0 198.090 2.705 10 0 AFAERN CCCCCCNc1ccc(N)cn1 84582123 171093310 /nfs/dbraw/zinc/09/33/10/171093310.db2.gz GPYAJKDNPJPPTD-UHFFFAOYSA-N 0 0 193.294 2.656 10 0 AFAERN Cc1ccnc(N)c1-c1ccccc1 47207240 171093415 /nfs/dbraw/zinc/09/34/15/171093415.db2.gz IYQXRGBMMTWDIJ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Fc1cc(F)c(OC(F)F)cc1F 47203399 171093549 /nfs/dbraw/zinc/09/35/49/171093549.db2.gz PFOCLCKALGPSBT-UHFFFAOYSA-N 0 0 198.090 2.705 10 0 AFAERN Oc1cc(-c2cccnc2)ccc1F 47213582 171093651 /nfs/dbraw/zinc/09/36/51/171093651.db2.gz FEXMYJNZRONUHG-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1ccc(F)cc1-c1ccncc1 47213548 171093726 /nfs/dbraw/zinc/09/37/26/171093726.db2.gz ZWDHRSWFJFUXEO-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1c(F)cccc1-c1cccnc1 47213553 171093781 /nfs/dbraw/zinc/09/37/81/171093781.db2.gz MDXAYPDBQMJVJC-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1cccc(F)c1-c1cccnc1 47213541 171093829 /nfs/dbraw/zinc/09/38/29/171093829.db2.gz VKSIRAGGJLFGIC-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1cccc(F)c1-c1ccncc1 47213543 171093850 /nfs/dbraw/zinc/09/38/50/171093850.db2.gz FRHPQYRQHHNRPZ-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN CC(C)c1cccc2nccnc12 39953823 171093924 /nfs/dbraw/zinc/09/39/24/171093924.db2.gz RUNSAXLAQWVEMP-UHFFFAOYSA-N 0 0 172.231 2.753 10 0 AFAERN Oc1cc(-c2ccncc2)ccc1F 47213584 171094084 /nfs/dbraw/zinc/09/40/84/171094084.db2.gz RBSWSCJYLHPOKJ-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1ccc(F)c(-c2ccncc2)c1 47213566 171094209 /nfs/dbraw/zinc/09/42/09/171094209.db2.gz NNTFUVWIZMDOQR-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Cc1ccnc(F)c1-c1ccncc1 47213465 171094220 /nfs/dbraw/zinc/09/42/20/171094220.db2.gz HBBSYEWBCNFLEM-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Oc1ccc(F)cc1-c1cccnc1 47213546 171094236 /nfs/dbraw/zinc/09/42/36/171094236.db2.gz QXFOBUWWOLQMFI-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1c(F)cccc1-c1ccncc1 47213556 171094323 /nfs/dbraw/zinc/09/43/23/171094323.db2.gz NZKYXGWUUCSONN-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Cc1ccnc(F)c1-c1cccnc1 47213462 171094340 /nfs/dbraw/zinc/09/43/40/171094340.db2.gz MEUJICHZTYHCGG-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN COc1ccc(NCC2CC2)cc1C 49528467 171094666 /nfs/dbraw/zinc/09/46/66/171094666.db2.gz UVSDBFPXFSRGIJ-UHFFFAOYSA-N 0 0 191.274 2.826 10 0 AFAERN CC(C)(O)CCc1ccc(F)cc1 49805758 171094976 /nfs/dbraw/zinc/09/49/76/171094976.db2.gz XDLIGNGGQLOJGG-UHFFFAOYSA-N 0 0 182.238 2.529 10 0 AFAERN Cc1ccccc1CCC(C)(C)O 49805448 171095001 /nfs/dbraw/zinc/09/50/01/171095001.db2.gz FBXQYFIKELHZKV-UHFFFAOYSA-N 0 0 178.275 2.699 10 0 AFAERN CC(C)(O)CCc1ccccc1F 49805756 171095311 /nfs/dbraw/zinc/09/53/11/171095311.db2.gz LQGFGIBCIMEHMI-UHFFFAOYSA-N 0 0 182.238 2.529 10 0 AFAERN COc1ccccc1[C@@H]1CCCO1 49805430 171095321 /nfs/dbraw/zinc/09/53/21/171095321.db2.gz RCRONQVZUOCBNH-NSHDSACASA-N 0 0 178.231 2.547 10 0 AFAERN O[C@@H](C1=CCCC1)c1ccc(F)cc1 50329038 171095482 /nfs/dbraw/zinc/09/54/82/171095482.db2.gz OLULQMFROOJQGS-LBPRGKRZSA-N 0 0 192.233 2.969 10 0 AFAERN O[C@@H](C1=CCCC1)c1ccccc1F 50329231 171095614 /nfs/dbraw/zinc/09/56/14/171095614.db2.gz VZWXUUNFXYZTPX-LBPRGKRZSA-N 0 0 192.233 2.969 10 0 AFAERN O[C@@H](C1=CCCC1)C1CCCC1 50329355 171095800 /nfs/dbraw/zinc/09/58/00/171095800.db2.gz UVBINZLZIIVFSK-NSHDSACASA-N 0 0 166.264 2.648 10 0 AFAERN O[C@@H](C1=CCCCC1)c1ccoc1 50328882 171095825 /nfs/dbraw/zinc/09/58/25/171095825.db2.gz RSYAFVORDMKBPN-NSHDSACASA-N 0 0 178.231 2.813 10 0 AFAERN O[C@@H](C1=CCCC1)c1cccc(F)c1 50329072 171095845 /nfs/dbraw/zinc/09/58/45/171095845.db2.gz PWHHSIUWRHGQFS-LBPRGKRZSA-N 0 0 192.233 2.969 10 0 AFAERN O[C@@H](C1=CCCCC1)C1CCC1 50329027 171095850 /nfs/dbraw/zinc/09/58/50/171095850.db2.gz IXPJZEDLIAVFEN-NSHDSACASA-N 0 0 166.264 2.648 10 0 AFAERN O[C@@H](CC1CC1)C1=CCCCC1 50328791 171095873 /nfs/dbraw/zinc/09/58/73/171095873.db2.gz KVXDDMQTIFFEMY-NSHDSACASA-N 0 0 166.264 2.648 10 0 AFAERN O[C@@H](C1=CCCC1)c1ccccc1 50329161 171096007 /nfs/dbraw/zinc/09/60/07/171096007.db2.gz VMVTWKUNVASDCC-GFCCVEGCSA-N 0 0 174.243 2.830 10 0 AFAERN O[C@@H](C1=CCCC1)c1ccsc1 50329199 171096076 /nfs/dbraw/zinc/09/60/76/171096076.db2.gz QLZXRRRYPZIVCD-JTQLQIEISA-N 0 0 180.272 2.892 10 0 AFAERN Cc1ccccc1Cn1cccc1 49942811 171096196 /nfs/dbraw/zinc/09/61/96/171096196.db2.gz HURPCGNZKZPGEM-UHFFFAOYSA-N 0 0 171.243 2.845 10 0 AFAERN O[C@@H](CC(F)(F)F)C1=CCCCC1 50329026 171096199 /nfs/dbraw/zinc/09/61/99/171096199.db2.gz VEENDBCNWGPXET-QMMMGPOBSA-N 0 0 194.196 2.800 10 0 AFAERN CC(C)(C)SCc1ccc(N)nc1 50833679 171096498 /nfs/dbraw/zinc/09/64/98/171096498.db2.gz BKLCNLSOCVBTLK-UHFFFAOYSA-N 0 0 196.319 2.696 10 0 AFAERN CNc1ccc(CSC(C)C)cn1 50839098 171096730 /nfs/dbraw/zinc/09/67/30/171096730.db2.gz NKCSOGUKFYEOOV-UHFFFAOYSA-N 0 0 196.319 2.765 10 0 AFAERN CNc1ccc(C2CCCCC2)nn1 50867980 171097079 /nfs/dbraw/zinc/09/70/79/171097079.db2.gz WWGRFNDIUBLQHV-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN Nc1ccc(Cl)cc1OCC1CC1 51609306 171097339 /nfs/dbraw/zinc/09/73/39/171097339.db2.gz QKRAEBNDTZWCLS-UHFFFAOYSA-N 0 0 197.665 2.711 10 0 AFAERN Nc1ccc(F)cc1NCC1CCC1 52120107 171097731 /nfs/dbraw/zinc/09/77/31/171097731.db2.gz ZTNJREUUWUXJKY-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN Fc1cc(F)c2oc(Cl)nc2c1 52066152 171097797 /nfs/dbraw/zinc/09/77/97/171097797.db2.gz KCSWFPYPFMHULB-UHFFFAOYSA-N 0 0 189.548 2.759 10 0 AFAERN CC(C)(C)C(=O)CCC1CCOCC1 52173680 171098117 /nfs/dbraw/zinc/09/81/17/171098117.db2.gz AVRNQNHHZRIKAF-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN C[Si](C)(C)CNc1ccccc1 196644324 171098364 /nfs/dbraw/zinc/09/83/64/171098364.db2.gz VIAPGVLSJAGIPY-UHFFFAOYSA-N 0 0 179.339 2.976 10 0 AFAERN CC(C)(C)SCc1ccnc(N)c1 52755843 171098549 /nfs/dbraw/zinc/09/85/49/171098549.db2.gz GLVFDGSIFKPACU-UHFFFAOYSA-N 0 0 196.319 2.696 10 0 AFAERN Nc1ccc(F)c(F)c1NC1CCC1 53167779 171098622 /nfs/dbraw/zinc/09/86/22/171098622.db2.gz YVHMAZRXFNXBNL-UHFFFAOYSA-N 0 0 198.216 2.511 10 0 AFAERN CC(C)(C)SCc1cccnc1N 52755839 171098692 /nfs/dbraw/zinc/09/86/92/171098692.db2.gz IIIULVQNIFHYQO-UHFFFAOYSA-N 0 0 196.319 2.696 10 0 AFAERN COc1ccc2c(=S)cc[nH]c2c1 53994655 171098809 /nfs/dbraw/zinc/09/88/09/171098809.db2.gz ILWCBMQHHLQBCB-UHFFFAOYSA-N 0 0 191.255 2.906 10 0 AFAERN CCNc1ccc(C2CCCC2)nn1 54079856 171098936 /nfs/dbraw/zinc/09/89/36/171098936.db2.gz WCZTWMWSRYABGM-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN Cc1ccccc1[C@@H]1CC[C@@H](O)C1 58518972 171100734 /nfs/dbraw/zinc/10/07/34/171100734.db2.gz NTSJXBUJPKSHSH-GHMZBOCLSA-N 0 0 176.259 2.623 10 0 AFAERN Cc1ccccc1[C@@H]1CC[C@H](O)C1 58518968 171100964 /nfs/dbraw/zinc/10/09/64/171100964.db2.gz NTSJXBUJPKSHSH-MNOVXSKESA-N 0 0 176.259 2.623 10 0 AFAERN CCCCC1=CCC=C1 59064158 171101426 /nfs/dbraw/zinc/10/14/26/171101426.db2.gz GVBQJUYCOGRYRE-UHFFFAOYSA-N 0 0 121.203 2.748 10 0 AFAERN Cc1ccccc1N[C@@H](C)CCCO 58826872 171101541 /nfs/dbraw/zinc/10/15/41/171101541.db2.gz XGNUVXOYJWOLLP-NSHDSACASA-N 0 0 193.290 2.568 10 0 AFAERN C=CC(=C)c1ccccc1 59216700 171101610 /nfs/dbraw/zinc/10/16/10/171101610.db2.gz IMJGQTCMUZMLRZ-UHFFFAOYSA-N 0 0 130.190 2.886 10 0 AFAERN CC(C)=C(c1nccn1C)C(C)C 59041926 171101695 /nfs/dbraw/zinc/10/16/95/171101695.db2.gz DRYQQJDFZWZXNF-UHFFFAOYSA-N 0 0 178.279 2.870 10 0 AFAERN ClOc1ccc2[nH]ccc2c1 59268782 171101720 /nfs/dbraw/zinc/10/17/20/171101720.db2.gz ODAVWMVRLPHMGM-UHFFFAOYSA-N 0 0 167.595 2.701 10 0 AFAERN Cc1ccccc1N[C@H](C)CCCO 58826875 171101768 /nfs/dbraw/zinc/10/17/68/171101768.db2.gz XGNUVXOYJWOLLP-LLVKDONJSA-N 0 0 193.290 2.568 10 0 AFAERN COc1ccccc1[C@@H]1CCCC1=O 60710706 171102344 /nfs/dbraw/zinc/10/23/44/171102344.db2.gz NDUHDIMUCMXYGU-VIFPVBQESA-N 0 0 190.242 2.532 10 0 AFAERN CC(C)c1cccc2nc(N)oc12 62519509 171102730 /nfs/dbraw/zinc/10/27/30/171102730.db2.gz XFQDPDOSMZPTNC-UHFFFAOYSA-N 0 0 176.219 2.533 10 0 AFAERN c1cnc2ccc(-c3ncc[nH]3)cc2c1 62802499 171103412 /nfs/dbraw/zinc/10/34/12/171103412.db2.gz GYVRUUYYBACPIP-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CNc1ccc(C)c2ncccc12 62796888 171103641 /nfs/dbraw/zinc/10/36/41/171103641.db2.gz HSDMSQMNHTZSGA-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN CNc1ccc(N(C)C(C)C)c(F)c1 62796745 171103718 /nfs/dbraw/zinc/10/37/18/171103718.db2.gz DFUCXOKQYKAOGC-UHFFFAOYSA-N 0 0 196.269 2.712 10 0 AFAERN CNc1ccc(Cl)c2cccnc12 62796554 171103818 /nfs/dbraw/zinc/10/38/18/171103818.db2.gz NUEMIFNQOVMGTJ-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CNc1ccc(N2CCCC2)cc1C 62796753 171103867 /nfs/dbraw/zinc/10/38/67/171103867.db2.gz WOWWPLCIYLWXRA-UHFFFAOYSA-N 0 0 190.290 2.637 10 0 AFAERN CC/C=C\C1=C(CC)COC1 90372560 171105160 /nfs/dbraw/zinc/10/51/60/171105160.db2.gz HZHUGURBBOCLEF-WAYWQWQTSA-N 0 0 152.237 2.689 10 0 AFAERN CCOC(=O)C[C@@H]1C=CC=CC1(C)C 67172160 171105381 /nfs/dbraw/zinc/10/53/81/171105381.db2.gz ZOGRPOZNEZJMAR-JTQLQIEISA-N 0 0 194.274 2.708 10 0 AFAERN CC(=O)CCCCc1cc(C)ccn1 90759474 171105862 /nfs/dbraw/zinc/10/58/62/171105862.db2.gz BRUMLZULDISZSV-UHFFFAOYSA-N 0 0 191.274 2.692 10 0 AFAERN S=c1[nH]c2c(s1)CCCCC2 70598283 171106553 /nfs/dbraw/zinc/10/65/53/171106553.db2.gz IEKFBQIZEBMGJK-UHFFFAOYSA-N 0 0 185.317 2.701 10 0 AFAERN S=c1[nH]c(-c2ccco2)cs1 70598322 171106656 /nfs/dbraw/zinc/10/66/56/171106656.db2.gz BIIXGJAMDRRAOX-UHFFFAOYSA-N 0 0 183.257 2.692 10 0 AFAERN Cc1ccc2[nH]c(Cl)c(CO)c2c1 71465101 171107054 /nfs/dbraw/zinc/10/70/54/171107054.db2.gz AFGBUKKIRGMKNI-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CNc1ccc(Br)s1 71452591 171107285 /nfs/dbraw/zinc/10/72/85/171107285.db2.gz OIVFZZNYAIIESO-UHFFFAOYSA-N 0 0 192.081 2.552 10 0 AFAERN CNc1ccc(O)c(C(C)C)c1 71455744 171107299 /nfs/dbraw/zinc/10/72/99/171107299.db2.gz RCXJESWAVZXOST-UHFFFAOYSA-N 0 0 165.236 2.557 10 0 AFAERN CNc1ccc(O)c(C(C)(C)C)c1 71452298 171107434 /nfs/dbraw/zinc/10/74/34/171107434.db2.gz XLGHWMOICDYXCE-UHFFFAOYSA-N 0 0 179.263 2.731 10 0 AFAERN CNc1ccc(CC(C)C)cc1 71495731 171107795 /nfs/dbraw/zinc/10/77/95/171107795.db2.gz VKGFPUFQXLDVET-UHFFFAOYSA-N 0 0 163.264 2.927 10 0 AFAERN CNc1ccc(C(C)C)cc1OC 71497969 171107831 /nfs/dbraw/zinc/10/78/31/171107831.db2.gz ILRNZKOHMGHXNP-UHFFFAOYSA-N 0 0 179.263 2.860 10 0 AFAERN CCNc1ccc(C(=O)C(C)C)cc1 71505960 171108015 /nfs/dbraw/zinc/10/80/15/171108015.db2.gz CZXZAOGPSSGTFN-UHFFFAOYSA-N 0 0 191.274 2.957 10 0 AFAERN COc1ccccc1C(=O)C1(C)CC1 71500642 171108031 /nfs/dbraw/zinc/10/80/31/171108031.db2.gz HVFMGTXRPGUDAB-UHFFFAOYSA-N 0 0 190.242 2.678 10 0 AFAERN O=c1cc(CC2CCCCC2)[nH]o1 71976657 171108390 /nfs/dbraw/zinc/10/83/90/171108390.db2.gz RSNMZQILYJVKQC-UHFFFAOYSA-N 0 0 181.235 2.503 10 0 AFAERN Cc1ccccc1[C@@H]1CC=CC(=O)O1 72123439 171109009 /nfs/dbraw/zinc/10/90/09/171109009.db2.gz GQUACYVBNJELSL-NSHDSACASA-N 0 0 188.226 2.539 10 0 AFAERN Brc1occc1C1CC1 72191908 171109015 /nfs/dbraw/zinc/10/90/15/171109015.db2.gz BOUDGIFVPZGLFN-UHFFFAOYSA-N 0 0 187.036 2.920 10 0 AFAERN O=c1cc(CCC2CCCCC2)[nH]o1 71976677 171109300 /nfs/dbraw/zinc/10/93/00/171109300.db2.gz KAUSVYLEBSLHLD-UHFFFAOYSA-N 0 0 195.262 2.893 10 0 AFAERN Cc1ccccc1[C@H]1CC=CC(=O)O1 72123440 171109504 /nfs/dbraw/zinc/10/95/04/171109504.db2.gz GQUACYVBNJELSL-LLVKDONJSA-N 0 0 188.226 2.539 10 0 AFAERN O=c1cc(CCC2CCCC2)[nH]o1 71976660 171109616 /nfs/dbraw/zinc/10/96/16/171109616.db2.gz CDXPTAJVGVUTKG-UHFFFAOYSA-N 0 0 181.235 2.503 10 0 AFAERN CNc1ccc(C)cc1C(=O)SC 72417469 171110712 /nfs/dbraw/zinc/11/07/12/171110712.db2.gz DFMGLSPGHVMQLK-UHFFFAOYSA-N 0 0 195.287 2.540 10 0 AFAERN NC(=S)CCC1CCCCC1 74413392 171111435 /nfs/dbraw/zinc/11/14/35/171111435.db2.gz VSSYZKMGTQTBTH-UHFFFAOYSA-N 0 0 171.309 2.633 10 0 AFAERN CC(=O)Nc1c(C)c(C)cc(C)c1C 74983441 171111441 /nfs/dbraw/zinc/11/14/41/171111441.db2.gz KXMBEFKNGACUMW-UHFFFAOYSA-N 0 0 191.274 2.879 10 0 AFAERN NC(=S)/C=C/c1ccc(Cl)cc1 74413405 171111908 /nfs/dbraw/zinc/11/19/08/171111908.db2.gz BTOXSBUWIDMXSC-ZZXKWVIFSA-N 0 0 197.690 2.639 10 0 AFAERN C=CSc1ccc(N)cc1 75539296 171112669 /nfs/dbraw/zinc/11/26/69/171112669.db2.gz KFUPAQRUYLIIAR-UHFFFAOYSA-N 0 0 151.234 2.504 10 0 AFAERN C=Cc1[nH]c2ccccc2c1C=O 75560948 171112922 /nfs/dbraw/zinc/11/29/22/171112922.db2.gz BQRCXIQYLXIJBB-UHFFFAOYSA-N 0 0 171.199 2.623 10 0 AFAERN CNc1ccc(C=O)c2ccccc12 75576895 171113658 /nfs/dbraw/zinc/11/36/58/171113658.db2.gz QJLGEMCSAOFDDK-UHFFFAOYSA-N 0 0 185.226 2.694 10 0 AFAERN Oc1c(F)cc(F)c2ccccc12 75569700 171113711 /nfs/dbraw/zinc/11/37/11/171113711.db2.gz DWRQUONHTPNSHX-UHFFFAOYSA-N 0 0 180.153 2.824 10 0 AFAERN C=Cc1c(N)nc2ccccc2c1C 75576608 171113727 /nfs/dbraw/zinc/11/37/27/171113727.db2.gz OQUIXXPKCWGFQP-UHFFFAOYSA-N 0 0 184.242 2.768 10 0 AFAERN COc1ccc(O)c2ccc(C)cc12 75578463 171113765 /nfs/dbraw/zinc/11/37/65/171113765.db2.gz SJUIAKVCSVBATE-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN O=Cc1ccccc1O[C@H]1C=CCC1 75578488 171113794 /nfs/dbraw/zinc/11/37/94/171113794.db2.gz BVCGMGXKTSTVJT-NSHDSACASA-N 0 0 188.226 2.597 10 0 AFAERN O=Cc1cccc(C/C=C\Cl)c1 75570371 171113930 /nfs/dbraw/zinc/11/39/30/171113930.db2.gz VRMCCYRBPIJLTE-KXFIGUGUSA-N 0 0 180.634 2.794 10 0 AFAERN O=Cc1ccccc1O[C@@H]1C=CCC1 75578491 171113999 /nfs/dbraw/zinc/11/39/99/171113999.db2.gz BVCGMGXKTSTVJT-LLVKDONJSA-N 0 0 188.226 2.597 10 0 AFAERN Oc1ccc(O)c2c(Cl)cccc12 75597242 171114187 /nfs/dbraw/zinc/11/41/87/171114187.db2.gz OIZVUFYBMVABNT-UHFFFAOYSA-N 0 0 194.617 2.904 10 0 AFAERN Oc1ccc(Cl)cc1-c1ccon1 75598497 171114449 /nfs/dbraw/zinc/11/44/49/171114449.db2.gz FDJYZBJAGSWQIW-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN COc1ccc(O)c([C@@H]2C=CCC2)c1 75579768 171114556 /nfs/dbraw/zinc/11/45/56/171114556.db2.gz YCQCFWZICJKGAV-SECBINFHSA-N 0 0 190.242 2.834 10 0 AFAERN COc1ccc(O)c([C@H]2C=CCC2)c1 75579766 171114660 /nfs/dbraw/zinc/11/46/60/171114660.db2.gz YCQCFWZICJKGAV-VIFPVBQESA-N 0 0 190.242 2.834 10 0 AFAERN CC(C)(C)C(=O)Cc1ccccc1O 75580855 171114703 /nfs/dbraw/zinc/11/47/03/171114703.db2.gz CDUWFNSHGNZIBW-UHFFFAOYSA-N 0 0 192.258 2.550 10 0 AFAERN CC(C)c1cccc(F)c1 75838874 171115193 /nfs/dbraw/zinc/11/51/93/171115193.db2.gz NAYXHKRRAWPEKG-UHFFFAOYSA-N 0 0 138.185 2.949 10 0 AFAERN CNc1ccc(C(=O)C(C)C)cc1F 75854762 171115337 /nfs/dbraw/zinc/11/53/37/171115337.db2.gz ZBBDDKFHQSQSLW-UHFFFAOYSA-N 0 0 195.237 2.706 10 0 AFAERN Fc1cc(F)c2ccoc2c1 75926934 171115713 /nfs/dbraw/zinc/11/57/13/171115713.db2.gz AFFLTRWUMNAUEU-UHFFFAOYSA-N 0 0 154.115 2.711 10 0 AFAERN Fc1cc(Cl)c2c(c1)CCCO2 75882906 171115726 /nfs/dbraw/zinc/11/57/26/171115726.db2.gz REBYRMMQFVPIHR-UHFFFAOYSA-N 0 0 186.613 2.804 10 0 AFAERN CNc1ccc(F)c(SC)c1 75926551 171116023 /nfs/dbraw/zinc/11/60/23/171116023.db2.gz YGZGWMUPQKAAFW-UHFFFAOYSA-N 0 0 171.240 2.589 10 0 AFAERN Cc1ccccc1NC1CC1 76577398 171117341 /nfs/dbraw/zinc/11/73/41/171117341.db2.gz DVCZXFKZXVOHLG-UHFFFAOYSA-N 0 0 147.221 2.569 10 0 AFAERN Cc1ccccc1NC1CSC1 76603618 171118747 /nfs/dbraw/zinc/11/87/47/171118747.db2.gz HECGNOPJCPEWAE-UHFFFAOYSA-N 0 0 179.288 2.522 10 0 AFAERN BrC12CCC(CC1)C2 80589923 171121003 /nfs/dbraw/zinc/12/10/03/171121003.db2.gz IBGQMFDJANKDLZ-UHFFFAOYSA-N 0 0 175.069 2.714 10 0 AFAERN CC=C=CCCCC 82006901 171121279 /nfs/dbraw/zinc/12/12/79/171121279.db2.gz UHCLKMFELDFBRW-UHFFFAOYSA-N 0 0 110.200 2.908 10 0 AFAERN CCC/C=C\c1ccncc1 80691272 171121379 /nfs/dbraw/zinc/12/13/79/171121379.db2.gz YJIRCVQLNQLYOD-PLNGDYQASA-N 0 0 147.221 2.895 10 0 AFAERN O=Cc1ccc(CC(F)(F)F)s1 82320083 171122121 /nfs/dbraw/zinc/12/21/21/171122121.db2.gz LDJNMXLCMDTQMU-UHFFFAOYSA-N 0 0 194.177 2.665 10 0 AFAERN FC(F)(F)n1cnc2ccccc21 45238301 171122317 /nfs/dbraw/zinc/12/23/17/171122317.db2.gz QCOLDAACMNYDIP-UHFFFAOYSA-N 0 0 186.136 2.513 10 0 AFAERN Cc1ccnc(C(=O)CC(C)C)c1 82643480 171124842 /nfs/dbraw/zinc/12/48/42/171124842.db2.gz KCAUGYXHNHRVTB-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN CCCCc1cc(Cl)nc(N)c1C 83428443 171131111 /nfs/dbraw/zinc/13/11/11/171131111.db2.gz JWGONNTWFVGHBG-UHFFFAOYSA-N 0 0 198.697 2.968 10 0 AFAERN CCCCc1ccc(Cl)nc1N 83428508 171131226 /nfs/dbraw/zinc/13/12/26/171131226.db2.gz VHAMDZZNRUIALO-UHFFFAOYSA-N 0 0 184.670 2.660 10 0 AFAERN CC(C)(C)SC(=O)c1ccccn1 45814837 171131666 /nfs/dbraw/zinc/13/16/66/171131666.db2.gz BWSSCNJEGQGCKR-UHFFFAOYSA-N 0 0 195.287 2.754 10 0 AFAERN Cc1ccc2[nH]c(-n3cccn3)cc2c1 84729065 171131834 /nfs/dbraw/zinc/13/18/34/171131834.db2.gz LJVKTBSNTUPMSL-UHFFFAOYSA-N 0 0 197.241 2.662 10 0 in-vitro AFAERN O=C(OC1CCCCC1)c1ccc[nH]1 45802930 171131907 /nfs/dbraw/zinc/13/19/07/171131907.db2.gz CXJGILGNNLYKBI-UHFFFAOYSA-N 0 0 193.246 2.504 10 0 AFAERN CCC/C=C/c1ccccn1 87493406 171132913 /nfs/dbraw/zinc/13/29/13/171132913.db2.gz QUBGFUVITBEKID-QPJJXVBHSA-N 0 0 147.221 2.895 10 0 AFAERN CC(=O)Nc1cccc2sccc12 89195328 171133109 /nfs/dbraw/zinc/13/31/09/171133109.db2.gz BTMZJQQEDDHXCY-UHFFFAOYSA-N 0 0 191.255 2.860 10 0 AFAERN CCCc1nccc2scnc12 89229114 171133741 /nfs/dbraw/zinc/13/37/41/171133741.db2.gz MPQGLPJIWLJRKV-UHFFFAOYSA-N 0 0 178.260 2.644 10 0 AFAERN C=Cc1cc(OC)c2cc[nH]c2c1 89204519 171133744 /nfs/dbraw/zinc/13/37/44/171133744.db2.gz OIONQCAENFHRHR-UHFFFAOYSA-N 0 0 173.215 2.820 10 0 AFAERN C=CSc1nc2ncccc2s1 89229303 171133771 /nfs/dbraw/zinc/13/37/71/171133771.db2.gz ZOKGEZJUSMSISH-UHFFFAOYSA-N 0 0 194.284 2.927 10 0 AFAERN CCC/C=C\c1cccc(C=O)n1 90416835 171133983 /nfs/dbraw/zinc/13/39/83/171133983.db2.gz TUNXGIYZIWDOSN-XQRVVYSFSA-N 0 0 175.231 2.707 10 0 AFAERN C/C=C\Cc1cccc2c1NCC2 89210481 171134049 /nfs/dbraw/zinc/13/40/49/171134049.db2.gz WBWVRQXXOFLVPE-IHWYPQMZSA-N 0 0 173.259 2.773 10 0 AFAERN CCC/C=C/[C@@H]1CCCC1=O 91352850 171134564 /nfs/dbraw/zinc/13/45/64/171134564.db2.gz PTJIHSFXKYSPOA-OTQAPUNGSA-N 0 0 152.237 2.712 10 0 AFAERN Cc1ccccc1N(C)C(F)(F)F 95074348 171135006 /nfs/dbraw/zinc/13/50/06/171135006.db2.gz IAAPANAOXXJFDL-UHFFFAOYSA-N 0 0 189.180 2.951 10 0 AFAERN Cc1ccccc1CNC(F)(F)F 95089689 171136152 /nfs/dbraw/zinc/13/61/52/171136152.db2.gz NDNHBVHDOUKLCW-UHFFFAOYSA-N 0 0 189.180 2.604 10 0 AFAERN Oc1cccc(Cl)c1C1CC1 95627226 171136491 /nfs/dbraw/zinc/13/64/91/171136491.db2.gz SCMHLEROONBLJS-UHFFFAOYSA-N 0 0 168.623 2.923 10 0 AFAERN Fc1cc(Cl)cc(Cl)n1 95642664 171136770 /nfs/dbraw/zinc/13/67/70/171136770.db2.gz HUHVCIAJJUKTBP-UHFFFAOYSA-N 0 0 165.982 2.528 10 0 AFAERN CC(C)c1cccc(N(C)C)c1O 95710447 171137169 /nfs/dbraw/zinc/13/71/69/171137169.db2.gz HZYMDVGWTRVCAX-UHFFFAOYSA-N 0 0 179.263 2.582 10 0 AFAERN CNc1ccc(O)cc1C(C)(C)C 95723365 171137189 /nfs/dbraw/zinc/13/71/89/171137189.db2.gz XXYBSXIGSPMRTJ-UHFFFAOYSA-N 0 0 179.263 2.731 10 0 AFAERN Oc1cccc(Cl)c1OCC1CC1 95713509 171137318 /nfs/dbraw/zinc/13/73/18/171137318.db2.gz ZWGKJXXBJGYPDT-UHFFFAOYSA-N 0 0 198.649 2.834 10 0 AFAERN CNc1ccc(Cl)c(OC2CC2)c1 95723678 171137334 /nfs/dbraw/zinc/13/73/34/171137334.db2.gz MLVOKMCFUXQMOO-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN CC(C)c1cccc(O)c1N(C)C 95710464 171137352 /nfs/dbraw/zinc/13/73/52/171137352.db2.gz FJTCOUVBAGLKFL-UHFFFAOYSA-N 0 0 179.263 2.582 10 0 AFAERN Oc1ccc(CC2CC2)cc1Cl 95721670 171137369 /nfs/dbraw/zinc/13/73/69/171137369.db2.gz BVPGEROOIUREPQ-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN CC(C)c1cccc(N)c1OC1CC1 95721077 171137376 /nfs/dbraw/zinc/13/73/76/171137376.db2.gz OPNXBHVUIXDGJW-UHFFFAOYSA-N 0 0 191.274 2.933 10 0 AFAERN COc1ccc(O)cc1OC(C)(C)C 95719974 171137379 /nfs/dbraw/zinc/13/73/79/171137379.db2.gz PNSAIUUNELWHSX-UHFFFAOYSA-N 0 0 196.246 2.578 10 0 AFAERN CNc1ccc(C(C)(C)C)cc1O 95723316 171137404 /nfs/dbraw/zinc/13/74/04/171137404.db2.gz GSTHYCKZSWAENB-UHFFFAOYSA-N 0 0 179.263 2.731 10 0 AFAERN Oc1cccc(CC2CC2)c1Cl 95713680 171137456 /nfs/dbraw/zinc/13/74/56/171137456.db2.gz JMESPOAPCIBFQU-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN Oc1ccc(Cl)c(OCC2CC2)c1 95723863 171137461 /nfs/dbraw/zinc/13/74/61/171137461.db2.gz WSTYKOFZOSJOJI-UHFFFAOYSA-N 0 0 198.649 2.834 10 0 AFAERN Oc1ccc(CC2CCCCC2)nc1 95723641 171137468 /nfs/dbraw/zinc/13/74/68/171137468.db2.gz DIQCVQGKMAHVAX-UHFFFAOYSA-N 0 0 191.274 2.910 10 0 AFAERN CN(C)c1ccc(C(C)(C)C)c(O)c1 95711830 171137470 /nfs/dbraw/zinc/13/74/70/171137470.db2.gz JGQFGIFPIQYMJP-UHFFFAOYSA-N 0 0 193.290 2.756 10 0 AFAERN CNc1ccc(C)c(OC2CC2)c1 95720899 171137500 /nfs/dbraw/zinc/13/75/00/171137500.db2.gz AADVOEMPLSAKPI-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CNc1ccc(C(C)(C)C)c(O)c1 95719509 171137507 /nfs/dbraw/zinc/13/75/07/171137507.db2.gz KMFSQZBBCQCRSU-UHFFFAOYSA-N 0 0 179.263 2.731 10 0 AFAERN Oc1ccc(CC2CC2)c(Cl)c1 95721780 171137535 /nfs/dbraw/zinc/13/75/35/171137535.db2.gz PGXBDRQXHKJKTH-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN Oc1ccc(Cl)cc1OCC1CC1 95720159 171137553 /nfs/dbraw/zinc/13/75/53/171137553.db2.gz ATERIJUWDSGCQH-UHFFFAOYSA-N 0 0 198.649 2.834 10 0 AFAERN Oc1ccc(Cl)cc1CC1CC1 95713181 171137603 /nfs/dbraw/zinc/13/76/03/171137603.db2.gz BYDKAGNEOHPCBL-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN CN(C)c1ccc(C(C)(C)C)cc1O 95711838 171137628 /nfs/dbraw/zinc/13/76/28/171137628.db2.gz XPAZHVSEDFAYNR-UHFFFAOYSA-N 0 0 193.290 2.756 10 0 AFAERN Oc1c(Cl)cccc1OCC1CC1 95712977 171137630 /nfs/dbraw/zinc/13/76/30/171137630.db2.gz VJGKXXMAAOKOAO-UHFFFAOYSA-N 0 0 198.649 2.834 10 0 AFAERN COc1ccc(OC(C)(C)C)c(O)c1 95722765 171137663 /nfs/dbraw/zinc/13/76/63/171137663.db2.gz UVJVLFBDGYWKQD-UHFFFAOYSA-N 0 0 196.246 2.578 10 0 AFAERN CC(C)c1cccc(F)c1O 95710446 171137671 /nfs/dbraw/zinc/13/76/71/171137671.db2.gz NIOVSSCSKIDFDK-UHFFFAOYSA-N 0 0 154.184 2.655 10 0 AFAERN CNc1ccc(C(C)C)c(O)c1 95723803 171137688 /nfs/dbraw/zinc/13/76/88/171137688.db2.gz DNBMZDHFZJEDON-UHFFFAOYSA-N 0 0 165.236 2.557 10 0 AFAERN Oc1c(Cl)cccc1CC1CC1 95727009 171137754 /nfs/dbraw/zinc/13/77/54/171137754.db2.gz LVPKLXVXERIVDY-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN Oc1cccc(OCC2CC2)c1Cl 95726370 171137773 /nfs/dbraw/zinc/13/77/73/171137773.db2.gz LCVBUQLQUJFGSW-UHFFFAOYSA-N 0 0 198.649 2.834 10 0 AFAERN CC(C)=CCC(=O)C1CCC1 95725604 171137780 /nfs/dbraw/zinc/13/77/80/171137780.db2.gz XGFGMABHIZVRCT-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN Oc1cc(CC2CC2)ccc1Cl 95727510 171137891 /nfs/dbraw/zinc/13/78/91/171137891.db2.gz HOZNAIWPSIFFNV-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN Cc1ccnc(Cl)c1OC1CC1 95725414 171137897 /nfs/dbraw/zinc/13/78/97/171137897.db2.gz AAUPKLOZYVJBKR-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN CNc1ccc(O)cc1C(C)C 95724375 171137902 /nfs/dbraw/zinc/13/79/02/171137902.db2.gz FOMNYEOCKGQWAX-UHFFFAOYSA-N 0 0 165.236 2.557 10 0 AFAERN CNc1ccc(C)cc1OC1CC1 95729972 171137913 /nfs/dbraw/zinc/13/79/13/171137913.db2.gz QKLCXQDCJNWMIJ-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CNc1ccc(Cl)cc1OC1CC1 95730015 171137915 /nfs/dbraw/zinc/13/79/15/171137915.db2.gz UMCNHNGFKLCILB-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN Oc1ccc(Cl)c(CC2CC2)c1 95724851 171137985 /nfs/dbraw/zinc/13/79/85/171137985.db2.gz ULFHNXJRXPTUCQ-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN CNc1ccc(O)c(OC(C)(C)C)c1 95724225 171137994 /nfs/dbraw/zinc/13/79/94/171137994.db2.gz ZJBLBXXRUOVFKR-UHFFFAOYSA-N 0 0 195.262 2.611 10 0 AFAERN CC(C)c1ccncc1OC1CC1 95726897 171138165 /nfs/dbraw/zinc/13/81/65/171138165.db2.gz ZORNTASMNNEHTG-UHFFFAOYSA-N 0 0 177.247 2.746 10 0 AFAERN CC(C)c1ccnc(F)c1OC1CC1 95727715 171138169 /nfs/dbraw/zinc/13/81/69/171138169.db2.gz HORRUAQWSGITHF-UHFFFAOYSA-N 0 0 195.237 2.885 10 0 AFAERN COc1ccc(OC(C)(C)C)cc1O 95724623 171138172 /nfs/dbraw/zinc/13/81/72/171138172.db2.gz OJIBTGAXKVQMGZ-UHFFFAOYSA-N 0 0 196.246 2.578 10 0 AFAERN CC(C)c1cccc(OC2CC2)c1N 95726537 171138202 /nfs/dbraw/zinc/13/82/02/171138202.db2.gz LQWJUEZCWPPZAI-UHFFFAOYSA-N 0 0 191.274 2.933 10 0 AFAERN O=Cc1cccc(Cl)c1OC1CC1 95741552 171138528 /nfs/dbraw/zinc/13/85/28/171138528.db2.gz DHLSSMLWZPKRPY-UHFFFAOYSA-N 0 0 196.633 2.694 10 0 AFAERN O=Cc1ccc(Cl)c(OC2CC2)c1 95741492 171138597 /nfs/dbraw/zinc/13/85/97/171138597.db2.gz QNUJZTLCEQHUIO-UHFFFAOYSA-N 0 0 196.633 2.694 10 0 AFAERN O=Cc1cccc(OC2CC2)c1Cl 95741549 171138701 /nfs/dbraw/zinc/13/87/01/171138701.db2.gz KTDTVXDKZHRHKJ-UHFFFAOYSA-N 0 0 196.633 2.694 10 0 AFAERN O=Cc1cccc2nc(Cl)ccc12 95762323 171139306 /nfs/dbraw/zinc/13/93/06/171139306.db2.gz QOQVQQHUTDFKDI-UHFFFAOYSA-N 0 0 191.617 2.701 10 0 AFAERN CC/C=C/c1cncc(C)c1 95932484 171140613 /nfs/dbraw/zinc/14/06/13/171140613.db2.gz XQJYAGYIJWEZLV-SNAWJCMRSA-N 0 0 147.221 2.813 10 0 AFAERN Fc1cc(-c2ncon2)ccc1Cl 96102601 171140978 /nfs/dbraw/zinc/14/09/78/171140978.db2.gz NXZQRLWZXIFIOU-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Fc1cc(Cl)ccc1-c1ncon1 96102594 171141168 /nfs/dbraw/zinc/14/11/68/171141168.db2.gz UTNYUYRRTPMKKO-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN CC/C=C/c1cccc(C)n1 96336349 171141347 /nfs/dbraw/zinc/14/13/47/171141347.db2.gz TZVBUPWUXDEEHX-QPJJXVBHSA-N 0 0 147.221 2.813 10 0 AFAERN Fc1cc(Cl)cc(-c2ncon2)c1 96102569 171141353 /nfs/dbraw/zinc/14/13/53/171141353.db2.gz MGQJJUUYLLUHNK-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN c1ccc([C@@H]2CCc3nc[nH]c3C2)cc1 40874878 171143691 /nfs/dbraw/zinc/14/36/91/171143691.db2.gz FNAMNTIDTBOHMV-LLVKDONJSA-N 0 0 198.269 2.682 10 0 AFAERN CC(=O)C1CCC=C[C@@H]1C 100093501 171143781 /nfs/dbraw/zinc/14/37/81/171143781.db2.gz IDJILDGFVVTFSU-MXMZYCHESA-N 0 0 138.210 2.805 10 0 AFAERN CC(=O)C1CCC=C[C@H]1C 100093499 171143867 /nfs/dbraw/zinc/14/38/67/171143867.db2.gz IDJILDGFVVTFSU-BDGYDECCSA-N 0 0 138.210 2.805 10 0 AFAERN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 100206339 171144265 /nfs/dbraw/zinc/14/42/65/171144265.db2.gz QCSCVXPUXNDOGX-XCBNKYQSSA-N 0 0 152.237 2.884 10 0 AFAERN CC(=O)Cc1ccccc1 100218230 171144524 /nfs/dbraw/zinc/14/45/24/171144524.db2.gz CWAWZFNQHTTXAW-BQYQJAHWSA-N 0 0 134.178 2.605 10 0 AFAERN C[C@H]1CC[C@@H](C)[C@@H]1C 100438835 171144849 /nfs/dbraw/zinc/14/48/49/171144849.db2.gz VCWNHOPGKQCXIQ-JIGDXULJSA-N 0 0 112.216 2.689 10 0 AFAERN CCC/C=C/[C@H]1CCCC1=O 100451073 171144969 /nfs/dbraw/zinc/14/49/69/171144969.db2.gz PTJIHSFXKYSPOA-DNQSNQRASA-N 0 0 152.237 2.712 10 0 AFAERN Oc1c[nH]c2cc(Cl)ccc12 100722666 171145394 /nfs/dbraw/zinc/14/53/94/171145394.db2.gz RUOQRMWDAZILOJ-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN Oc1c[nH]c2c(Cl)cccc12 100722903 171145510 /nfs/dbraw/zinc/14/55/10/171145510.db2.gz LMQZSYVNHGASOO-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN COc1ccccc1CCCC(C)=O 41205879 171145987 /nfs/dbraw/zinc/14/59/87/171145987.db2.gz FNRWFXUDZHCJNG-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN c1ccc(C2=C3COC[C@@H]3CC2)cc1 104831561 171147864 /nfs/dbraw/zinc/14/78/64/171147864.db2.gz IKHMJICSIGFPPT-NSHDSACASA-N 0 0 186.254 2.880 10 0 AFAERN CC/C=C/[C@H]1CCCC(=O)C1 104837576 171147873 /nfs/dbraw/zinc/14/78/73/171147873.db2.gz RZFXXLXIKFFUSG-SGRBOOSSSA-N 0 0 152.237 2.712 10 0 AFAERN c1ccc(C2=C3COC[C@H]3CC2)cc1 104831563 171147951 /nfs/dbraw/zinc/14/79/51/171147951.db2.gz IKHMJICSIGFPPT-LLVKDONJSA-N 0 0 186.254 2.880 10 0 AFAERN CC(C)=C(c1ccco1)N(C)C 104833123 171147978 /nfs/dbraw/zinc/14/79/78/171147978.db2.gz UPSGPYVSCNUJPD-UHFFFAOYSA-N 0 0 165.236 2.592 10 0 AFAERN Oc1cccc(N2CCCC2)c1Cl 104462630 171147988 /nfs/dbraw/zinc/14/79/88/171147988.db2.gz XNXYBHMFUZGAJL-UHFFFAOYSA-N 0 0 197.665 2.646 10 0 AFAERN CCC/C=C1/CCCC[C@@H]1O 104836609 171148113 /nfs/dbraw/zinc/14/81/13/171148113.db2.gz DOLDFSSUHRLILN-MBACFSSFSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1CCC(C(=O)C(C)(C)C)=C(O)C1 104836763 171148119 /nfs/dbraw/zinc/14/81/19/171148119.db2.gz KPCQDPTYWVZONZ-DTWKUNHWSA-N 0 0 196.290 2.607 10 0 AFAERN CC1(C)COC2=CC=CC=C[C@H]21 104833074 171148131 /nfs/dbraw/zinc/14/81/31/171148131.db2.gz QZKPKKRBSQEQGM-SECBINFHSA-N 0 0 162.232 2.669 10 0 AFAERN CC1(C)COC2=CC=CC=C[C@@H]21 104833071 171148199 /nfs/dbraw/zinc/14/81/99/171148199.db2.gz QZKPKKRBSQEQGM-VIFPVBQESA-N 0 0 162.232 2.669 10 0 AFAERN CCC/C=C1/CCCC[C@H]1O 104836613 171148206 /nfs/dbraw/zinc/14/82/06/171148206.db2.gz DOLDFSSUHRLILN-ABRRARGCSA-N 0 0 154.253 2.648 10 0 AFAERN CC/C=C/[C@@H]1CCCC(=O)C1 104837572 171148258 /nfs/dbraw/zinc/14/82/58/171148258.db2.gz RZFXXLXIKFFUSG-HYYFJVDXSA-N 0 0 152.237 2.712 10 0 AFAERN C/C=C(/C)c1ccccc1N 104567095 171148261 /nfs/dbraw/zinc/14/82/61/171148261.db2.gz SYVSVMCXNPGONH-BAQGIRSFSA-N 0 0 147.221 2.692 10 0 AFAERN COc1ccc2c(C)nccc2c1 104851379 171148587 /nfs/dbraw/zinc/14/85/87/171148587.db2.gz OWDSYQHGTWALKU-UHFFFAOYSA-N 0 0 173.215 2.552 10 0 AFAERN CC(C)O[C@@]1(C)CCC(C)(C)O1 104846861 171148655 /nfs/dbraw/zinc/14/86/55/171148655.db2.gz JQJCPHQPPPRHTA-SNVBAGLBSA-N 0 0 172.268 2.717 10 0 AFAERN CC(C)O[C@]1(C)CCC(C)(C)O1 104846858 171148680 /nfs/dbraw/zinc/14/86/80/171148680.db2.gz JQJCPHQPPPRHTA-JTQLQIEISA-N 0 0 172.268 2.717 10 0 AFAERN S=C1CC=C(Br)S1 106626029 171150119 /nfs/dbraw/zinc/15/01/19/171150119.db2.gz MULVHUDRQLUEOX-UHFFFAOYSA-N 0 0 195.106 2.799 10 0 AFAERN S=C1CC(Br)=CS1 106626033 171150186 /nfs/dbraw/zinc/15/01/86/171150186.db2.gz CYENITWQXTVYCN-UHFFFAOYSA-N 0 0 195.106 2.799 10 0 AFAERN Cc1ccccc1CC[C@@H](O)C(C)C 43657993 171151291 /nfs/dbraw/zinc/15/12/91/171151291.db2.gz LYXTUAVNUXZAAM-CYBMUJFWSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1ccccc1CC[C@H](O)C(C)C 43657991 171151589 /nfs/dbraw/zinc/15/15/89/171151589.db2.gz LYXTUAVNUXZAAM-ZDUSSCGKSA-N 0 0 192.302 2.945 10 0 AFAERN CCCCc1ccc(CCCO)cc1 44396210 171151966 /nfs/dbraw/zinc/15/19/66/171151966.db2.gz VSIJBRAOBPJLKC-UHFFFAOYSA-N 0 0 192.302 2.954 10 0 AFAERN CC/C=C\C/C=C\C/C=C\CO 44135271 171152336 /nfs/dbraw/zinc/15/23/36/171152336.db2.gz GQHVUIIYRRZKCN-PDBXOOCHSA-N 0 0 166.264 2.838 10 0 AFAERN C/C=C(/C(=O)OCC)c1ccccc1 44200338 171152381 /nfs/dbraw/zinc/15/23/81/171152381.db2.gz FKAGRTPFQGVYDI-QDEBKDIKSA-N 0 0 190.242 2.653 10 0 AFAERN c1cnc2cc(NC3CCC3)ccc2n1 44481761 171152541 /nfs/dbraw/zinc/15/25/41/171152541.db2.gz ICMDHOHACQZVOF-UHFFFAOYSA-N 0 0 199.257 2.594 10 0 AFAERN ClC(Cl)=CBr 111345563 171153199 /nfs/dbraw/zinc/15/31/99/171153199.db2.gz OEKZZIRTAIOPIP-UHFFFAOYSA-N 0 0 175.840 2.658 10 0 AFAERN O=Cc1cccn1C(C1CC1)C1CC1 49236863 171153275 /nfs/dbraw/zinc/15/32/75/171153275.db2.gz LOIYSKIMDMTHHU-UHFFFAOYSA-N 0 0 189.258 2.662 10 0 AFAERN CC(C)c1cccc(NCCCO)c1 48695355 171153776 /nfs/dbraw/zinc/15/37/76/171153776.db2.gz DNUYXMJTYCUZRN-UHFFFAOYSA-N 0 0 193.290 2.604 10 0 AFAERN Cc1ccccc1CC(=O)CC1CC1 49730927 171154197 /nfs/dbraw/zinc/15/41/97/171154197.db2.gz FDQZCTSXCFZRBH-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN C[C@H]1CC[C@@H](C)N1C(=O)OC(C)(C)C 114764660 171154738 /nfs/dbraw/zinc/15/47/38/171154738.db2.gz FZSBLLYQAULJDU-DTORHVGOSA-N 0 0 199.294 2.794 10 0 AFAERN C=Cc1cc(C)c(C)c(C(=O)OC)c1 115607276 171155029 /nfs/dbraw/zinc/15/50/29/171155029.db2.gz UGCFGRALLJBXNL-UHFFFAOYSA-N 0 0 190.242 2.733 10 0 AFAERN CC(=O)CCCCOCc1ccco1 50159335 171155452 /nfs/dbraw/zinc/15/54/52/171155452.db2.gz OVSWPVROMVTLNL-UHFFFAOYSA-N 0 0 196.246 2.556 10 0 AFAERN CC(=O)CCCOCc1cccs1 50161809 171155977 /nfs/dbraw/zinc/15/59/77/171155977.db2.gz ARGFQOWQBNKDKW-UHFFFAOYSA-N 0 0 198.287 2.634 10 0 AFAERN FC(F)(F)Sc1cc[nH]c1 144389741 171156395 /nfs/dbraw/zinc/15/63/95/171156395.db2.gz LXSPKOMPGQRINB-UHFFFAOYSA-N 0 0 167.155 2.627 10 0 AFAERN CC(C)(C)SCCCCCO 51020526 171158070 /nfs/dbraw/zinc/15/80/70/171158070.db2.gz VKSQBGCERNTLKR-UHFFFAOYSA-N 0 0 176.325 2.681 10 0 AFAERN Cc1ccccc1OCCCCCO 51020436 171158138 /nfs/dbraw/zinc/15/81/38/171158138.db2.gz FEYWLUFNTPTSJO-UHFFFAOYSA-N 0 0 194.274 2.536 10 0 AFAERN O=CCCc1cc(F)cc(F)c1 100382966 171159175 /nfs/dbraw/zinc/15/91/75/171159175.db2.gz DSXKEJSOLYQFIN-IWQZZHSRSA-N 0 0 170.158 2.579 10 0 AFAERN CC(C)N(C)C(=O)CC1(C)CCCC1 334673478 171159643 /nfs/dbraw/zinc/15/96/43/171159643.db2.gz NTBATDRTRYDHKH-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CCSC(=S)N1CCCCC1 147148585 171161138 /nfs/dbraw/zinc/16/11/38/171161138.db2.gz GODAWSWFAMASSD-UHFFFAOYSA-N 0 0 189.349 2.510 10 0 AFAERN CC(=O)CCCOCC1CCCCC1 52154950 171161687 /nfs/dbraw/zinc/16/16/87/171161687.db2.gz YVEBVVXYKPFCLR-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CC(=O)OCC[C@H]1CC=C(C)C1(C)C 1850904 171162758 /nfs/dbraw/zinc/16/27/58/171162758.db2.gz HBRWKAJTMKFEQR-LLVKDONJSA-N 0 0 196.290 2.932 10 0 endogenous,in-man AFAERN CC(=O)OCC[C@@H]1CC=C(C)C1(C)C 1850902 171163083 /nfs/dbraw/zinc/16/30/83/171163083.db2.gz HBRWKAJTMKFEQR-NSHDSACASA-N 0 0 196.290 2.932 10 0 endogenous,in-man AFAERN CCCCCCC(=O)N(CC)CC 1733473 171163195 /nfs/dbraw/zinc/16/31/95/171163195.db2.gz ATMCOZCQQXIAQX-UHFFFAOYSA-N 0 0 185.311 2.825 10 0 AFAERN CC(C)OC(=O)N(C)c1ccccc1 1666701 171163226 /nfs/dbraw/zinc/16/32/26/171163226.db2.gz OGQJEQNWJVFSGO-UHFFFAOYSA-N 0 0 193.246 2.668 10 0 AFAERN CCO/C=C/[P@](=O)(CC)OCC 2391272 171163664 /nfs/dbraw/zinc/16/36/64/171163664.db2.gz SKENHCHIQYHFJZ-GUOLPTJISA-N 0 0 192.195 2.829 10 0 AFAERN CCO/C=C/[P@@](=O)(CC)OCC 3957081 171164360 /nfs/dbraw/zinc/16/43/60/171164360.db2.gz SKENHCHIQYHFJZ-ABZNLYFFSA-N 0 0 192.195 2.829 10 0 AFAERN CCC/C=C/CCOC(=O)C(C)C 5819412 171164683 /nfs/dbraw/zinc/16/46/83/171164683.db2.gz RMOVDPSOWOBAKR-VOTSOKGWSA-N 0 0 184.279 2.932 10 0 endogenous,in-man AFAERN CC/C=C\C=C/C(=O)N/C=C/CCC 6040678 171164939 /nfs/dbraw/zinc/16/49/39/171164939.db2.gz JDFJAHGFIVKJBK-IZYYEFCUSA-N 0 0 193.290 2.939 10 0 AFAERN CCCCCCC(=O)CCC(C)=O 5511323 171165061 /nfs/dbraw/zinc/16/50/61/171165061.db2.gz ZHMCDZHVHDFSHO-UHFFFAOYSA-N 0 0 184.279 2.895 10 0 AFAERN COc1ccccc1Cc1ccc[nH]1 39320528 171165438 /nfs/dbraw/zinc/16/54/38/171165438.db2.gz FVIOROBJXUURKY-UHFFFAOYSA-N 0 0 187.242 2.614 10 0 AFAERN CCCCCC(=O)C(F)(F)F 8700961 171165503 /nfs/dbraw/zinc/16/55/03/171165503.db2.gz IEERMGHTUVPIFB-UHFFFAOYSA-N 0 0 168.158 2.698 10 0 AFAERN CC(C)=C/C=C1/C(=O)Nc2ccccc21 13462898 171166968 /nfs/dbraw/zinc/16/69/68/171166968.db2.gz QZLGVPXIVRIGBA-DHZHZOJOSA-N 0 0 199.253 2.988 10 0 biogenic,in-vitro AFAERN CC[C@@H]1CCN1C(=O)C1(C)CCCC1 335451095 171167440 /nfs/dbraw/zinc/16/74/40/171167440.db2.gz DQXRXEISUHPNDY-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CCO/C=C\c1ccccc1 16999540 171167458 /nfs/dbraw/zinc/16/74/58/171167458.db2.gz FZHNODDFDJBMAS-HJWRWDBZSA-N 0 0 148.205 2.694 10 0 AFAERN CC(=O)CS[C@@H]1CCC(C)(C)C1 335653504 171167790 /nfs/dbraw/zinc/16/77/90/171167790.db2.gz KBAZLYDVJWYFGV-SECBINFHSA-N 0 0 186.320 2.887 10 0 AFAERN O=Cc1cccc(OC/C=C/Cl)c1 19513152 171168214 /nfs/dbraw/zinc/16/82/14/171168214.db2.gz PRIPYAHVNWRTCA-GORDUTHDSA-N 0 0 196.633 2.630 10 0 AFAERN O=Cc1ccc(C2CCCCC2)nc1 82390832 171169353 /nfs/dbraw/zinc/16/93/53/171169353.db2.gz NCIOFMXGJRAPOF-UHFFFAOYSA-N 0 0 189.258 2.942 10 0 AFAERN C[Si](C)(C)c1cc2ccccc2[nH]1 195892506 171169918 /nfs/dbraw/zinc/16/99/18/171169918.db2.gz ISPRGDKNJYQULU-UHFFFAOYSA-N 0 0 189.334 2.713 10 0 AFAERN c1c2c(n3c1CCCC3)CCCC2 82398978 171170653 /nfs/dbraw/zinc/17/06/53/171170653.db2.gz OOVFAPYEROLIFH-UHFFFAOYSA-N 0 0 175.275 2.703 10 0 AFAERN C[Si](C)(C)Cc1ccc(O)cc1 196162771 171170693 /nfs/dbraw/zinc/17/06/93/171170693.db2.gz DQFYMUKXVRYXPU-UHFFFAOYSA-N 0 0 180.323 2.812 10 0 AFAERN C[Si](C)(C)[C@H](F)c1ccncc1 196487871 171170819 /nfs/dbraw/zinc/17/08/19/171170819.db2.gz KCJSWTCHLGEYGQ-VIFPVBQESA-N 0 0 183.302 2.970 10 0 AFAERN O=Cc1cccc2c1SCCC2 82397706 171170880 /nfs/dbraw/zinc/17/08/80/171170880.db2.gz MEYMGWZZKQKOJB-UHFFFAOYSA-N 0 0 178.256 2.537 10 0 AFAERN C[Si](C)(C)[C@@H](F)c1ccncc1 196487884 171170895 /nfs/dbraw/zinc/17/08/95/171170895.db2.gz KCJSWTCHLGEYGQ-SECBINFHSA-N 0 0 183.302 2.970 10 0 AFAERN C[Si](C)(C)Cc1cccc(O)c1 196162748 171171066 /nfs/dbraw/zinc/17/10/66/171171066.db2.gz LAQPATCJXXDEHK-UHFFFAOYSA-N 0 0 180.323 2.812 10 0 AFAERN O=Cc1ccc(C2CCC2)s1 82402815 171171738 /nfs/dbraw/zinc/17/17/38/171171738.db2.gz ULTQEXBJXQMQCT-UHFFFAOYSA-N 0 0 166.245 2.828 10 0 AFAERN CN1CC(C)(C)CNc2ccccc21 82530373 171172012 /nfs/dbraw/zinc/17/20/12/171172012.db2.gz AYSJVVKJPBUXGN-UHFFFAOYSA-N 0 0 190.290 2.575 10 0 AFAERN C[Si](C)(C)/C=C\c1ccccn1 197991457 171172284 /nfs/dbraw/zinc/17/22/84/171172284.db2.gz DVCXMMVTLXYHAD-CLFYSBASSA-N 0 0 177.323 2.972 10 0 AFAERN Cc1ccnc(C[Si](C)(C)C)c1 197991449 171172462 /nfs/dbraw/zinc/17/24/62/171172462.db2.gz HXDAEBNXRKJZHB-UHFFFAOYSA-N 0 0 179.339 2.810 10 0 AFAERN Nc1ccc(Cl)cc1-c1ncco1 82530875 171173153 /nfs/dbraw/zinc/17/31/53/171173153.db2.gz TUFTUROCTZKLSS-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1ccc(Cl)c(-c2ncco2)c1 82530873 171173351 /nfs/dbraw/zinc/17/33/51/171173351.db2.gz DFBZFDGKKYKDNF-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN COc1ccc2c(C)cc(C)nc2c1 82788293 171174831 /nfs/dbraw/zinc/17/48/31/171174831.db2.gz ZJRSWQZRDGJGNZ-UHFFFAOYSA-N 0 0 187.242 2.860 10 0 AFAERN c1cnc2ccc(NC3CC3)cc2c1 82710802 171174945 /nfs/dbraw/zinc/17/49/45/171174945.db2.gz SUJIGVGQYDKCKZ-UHFFFAOYSA-N 0 0 184.242 2.809 10 0 AFAERN c1cnc2c(NC3CC3)cccc2c1 82710803 171175025 /nfs/dbraw/zinc/17/50/25/171175025.db2.gz COLNJKSQHVLVMV-UHFFFAOYSA-N 0 0 184.242 2.809 10 0 AFAERN CC(C)CC(=O)N1CC(C(C)(C)C)C1 334763158 171177418 /nfs/dbraw/zinc/17/74/18/171177418.db2.gz VZMWICKEVNFDCH-UHFFFAOYSA-N 0 0 197.322 2.537 10 0 AFAERN O=Cc1cccc([C@@H]2CCCCO2)c1 211686014 171178574 /nfs/dbraw/zinc/17/85/74/171178574.db2.gz JTZJITCSDZGQTD-LBPRGKRZSA-N 0 0 190.242 2.741 10 0 AFAERN O=Cc1cccc([C@H]2CCCCO2)c1 211686092 171178816 /nfs/dbraw/zinc/17/88/16/171178816.db2.gz JTZJITCSDZGQTD-GFCCVEGCSA-N 0 0 190.242 2.741 10 0 AFAERN CCNc1ccc(C(C)=O)c(Cl)c1 307212925 171179071 /nfs/dbraw/zinc/17/90/71/171179071.db2.gz WJGZFWHXKAIVPD-UHFFFAOYSA-N 0 0 197.665 2.974 10 0 AFAERN CC(=O)Nc1cccc2c1CCC=C2 211781833 171179770 /nfs/dbraw/zinc/17/97/70/171179770.db2.gz BPXFZIFMISLDMP-UHFFFAOYSA-N 0 0 187.242 2.604 10 0 AFAERN C=CC(=C)N(C(C)=O)c1ccccc1 211768580 171179935 /nfs/dbraw/zinc/17/99/35/171179935.db2.gz HJQYGHBFBRYFMQ-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN CCCCc1ccc(N)cc1C 83255062 171180541 /nfs/dbraw/zinc/18/05/41/171180541.db2.gz OBDMTWXVLULNCA-UHFFFAOYSA-N 0 0 163.264 2.920 10 0 AFAERN CCCCc1ccc(F)c(N)c1 83255066 171180543 /nfs/dbraw/zinc/18/05/43/171180543.db2.gz IQLKXEJHXFTPON-UHFFFAOYSA-N 0 0 167.227 2.751 10 0 AFAERN Brc1ccc2c(c1)C=C2 55168379 171180599 /nfs/dbraw/zinc/18/05/99/171180599.db2.gz LHVXBEFESMEXCZ-UHFFFAOYSA-N 0 0 181.032 2.933 10 0 AFAERN CCCCc1cc(N)ccc1C 83255065 171180635 /nfs/dbraw/zinc/18/06/35/171180635.db2.gz INWJGMSPNJXTNE-UHFFFAOYSA-N 0 0 163.264 2.920 10 0 AFAERN O=c1c(Cl)ccc2[nH]cccc1-2 216624299 171181395 /nfs/dbraw/zinc/18/13/95/171181395.db2.gz UBOQTLCUIPMASQ-UHFFFAOYSA-N 0 0 179.606 2.594 10 0 AFAERN CC(=O)CCCCOc1ccccc1 22003715 171181453 /nfs/dbraw/zinc/18/14/53/171181453.db2.gz DRGZQTLLSMWIME-UHFFFAOYSA-N 0 0 192.258 2.825 10 0 AFAERN NC(=S)/C=C/c1ccccc1Cl 83342850 171181488 /nfs/dbraw/zinc/18/14/88/171181488.db2.gz NEBCBSZXOPENAV-AATRIKPKSA-N 0 0 197.690 2.639 10 0 AFAERN CCCCCCC(=O)c1nccn1C 22001058 171181598 /nfs/dbraw/zinc/18/15/98/171181598.db2.gz QJAQSFVUJZQTMP-UHFFFAOYSA-N 0 0 194.278 2.573 10 0 AFAERN NC(=S)/C=C/c1cccc(Cl)c1 83342852 171181845 /nfs/dbraw/zinc/18/18/45/171181845.db2.gz JWOCQDXWTQTOLQ-SNAWJCMRSA-N 0 0 197.690 2.639 10 0 AFAERN CC(=O)C[C@H](C)Cc1ccccc1 58002719 171182375 /nfs/dbraw/zinc/18/23/75/171182375.db2.gz CXICCRKAEZRHHD-JTQLQIEISA-N 0 0 176.259 2.844 10 0 AFAERN CC(=O)C[C@@H](C)Cc1ccccc1 58002718 171182564 /nfs/dbraw/zinc/18/25/64/171182564.db2.gz CXICCRKAEZRHHD-SNVBAGLBSA-N 0 0 176.259 2.844 10 0 AFAERN c1ccc(C2=Nc3ncccc3C2)cc1 222965613 171182766 /nfs/dbraw/zinc/18/27/66/171182766.db2.gz LLAZQZQCMZEQPV-UHFFFAOYSA-N 0 0 194.237 2.759 10 0 AFAERN O[C@@H](CCCc1ccccc1)C1CC1 32008278 171183544 /nfs/dbraw/zinc/18/35/44/171183544.db2.gz LEJGFQFKSAMNEJ-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN CC(=O)CCC(=O)C1CCC(C)CC1 27622071 171183653 /nfs/dbraw/zinc/18/36/53/171183653.db2.gz YMEWMMRUWBPMFH-UHFFFAOYSA-N 0 0 196.290 2.751 10 0 AFAERN CC(C)CC(=O)Cc1ccccc1F 32008927 171183669 /nfs/dbraw/zinc/18/36/69/171183669.db2.gz UWTZWYPIUSZBPC-UHFFFAOYSA-N 0 0 194.249 2.983 10 0 AFAERN CC(C)CC(=O)Cc1cccc(F)c1 32008931 171183705 /nfs/dbraw/zinc/18/37/05/171183705.db2.gz VFOQQVXUYFHUSG-UHFFFAOYSA-N 0 0 194.249 2.983 10 0 AFAERN CC(=O)CCC(=O)c1ccccc1C 32008216 171183732 /nfs/dbraw/zinc/18/37/32/171183732.db2.gz XRDLHHMCBNGYRQ-UHFFFAOYSA-N 0 0 190.242 2.547 10 0 AFAERN CC(C)CC(=O)Cc1ccc(F)cc1 32008935 171183751 /nfs/dbraw/zinc/18/37/51/171183751.db2.gz SVZHVTCUOKBUNT-UHFFFAOYSA-N 0 0 194.249 2.983 10 0 AFAERN CC(=O)CCC(=O)c1ccc(C)cc1 32008219 171183766 /nfs/dbraw/zinc/18/37/66/171183766.db2.gz XLZPBXOPDYGGLK-UHFFFAOYSA-N 0 0 190.242 2.547 10 0 AFAERN CC(=O)CCC(=O)c1cccc(C)c1 32008218 171183853 /nfs/dbraw/zinc/18/38/53/171183853.db2.gz YZYXZQRMVXZJKY-UHFFFAOYSA-N 0 0 190.242 2.547 10 0 AFAERN CCC/C=C/COC(=O)[C@@H](C)CC 33838365 171184133 /nfs/dbraw/zinc/18/41/33/171184133.db2.gz SXJKRFLZGRFPBD-JARNTUPDSA-N 0 0 184.279 2.932 10 0 endogenous,in-man AFAERN C/C=C\Cc1ccc(C)nc1 33953755 171184546 /nfs/dbraw/zinc/18/45/46/171184546.db2.gz BLUFNCNDYMJKFL-ARJAWSKDSA-N 0 0 147.221 2.509 10 0 AFAERN CCC/C=C/COC(=O)[C@H](C)CC 33838366 171184612 /nfs/dbraw/zinc/18/46/12/171184612.db2.gz SXJKRFLZGRFPBD-QROSGCPLSA-N 0 0 184.279 2.932 10 0 endogenous,in-man AFAERN CC(=O)Nc1cccc(C(C)(F)F)c1 335877932 171185552 /nfs/dbraw/zinc/18/55/52/171185552.db2.gz OUVOUFUPSIDWGI-UHFFFAOYSA-N 0 0 199.200 2.757 10 0 AFAERN CC(=O)CS[C@H]1CCC(C)(C)C1 335653505 171185737 /nfs/dbraw/zinc/18/57/37/171185737.db2.gz KBAZLYDVJWYFGV-VIFPVBQESA-N 0 0 186.320 2.887 10 0 AFAERN CC[C@@H](C)C(=O)N(C)C1(C)CCCC1 335818102 171185774 /nfs/dbraw/zinc/18/57/74/171185774.db2.gz MFSNDBRUNZIOBG-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN Cc1ccccc1NC(=O)C1=CCC1 335949077 171185850 /nfs/dbraw/zinc/18/58/50/171185850.db2.gz ALBCURXZLDWVQD-UHFFFAOYSA-N 0 0 187.242 2.654 10 0 AFAERN CNc1ccc(C(C)=O)cc1Cl 299889823 171188272 /nfs/dbraw/zinc/18/82/72/171188272.db2.gz PFVYYUXBGDGHBZ-UHFFFAOYSA-N 0 0 183.638 2.584 10 0 AFAERN CCC=Cc1nc2c(o1)CCCC2=O 90372789 171188429 /nfs/dbraw/zinc/18/84/29/171188429.db2.gz GFTGNLLCHQXYCG-XVNBXDOJSA-N 0 0 191.230 2.617 10 0 AFAERN CC(=O)OCC1=CC[C@H]2[C@@H](C1)C2(C)C 43199018 171189552 /nfs/dbraw/zinc/18/95/52/171189552.db2.gz LQKMFMDVNRMOEL-WDEREUQCSA-N 0 0 194.274 2.542 10 0 AFAERN CC(=O)OCC1=CC[C@@H]2[C@H](C1)C2(C)C 43199019 171189619 /nfs/dbraw/zinc/18/96/19/171189619.db2.gz LQKMFMDVNRMOEL-MNOVXSKESA-N 0 0 194.274 2.542 10 0 AFAERN CC(C)CC(=O)N1CCCCC[C@@H]1C 334335304 171190799 /nfs/dbraw/zinc/19/07/99/171190799.db2.gz QMKDLVTVHZPYEC-NSHDSACASA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)CC(=O)N1CCCCC[C@H]1C 334335301 171191177 /nfs/dbraw/zinc/19/11/77/171191177.db2.gz QMKDLVTVHZPYEC-LLVKDONJSA-N 0 0 197.322 2.824 10 0 AFAERN CC/C=C\C/C=C\C[C@@H]1CCC(=O)O1 165248686 171195183 /nfs/dbraw/zinc/19/51/83/171195183.db2.gz YNHBLISDDXOUDQ-GRBDCXSLSA-N 0 0 194.274 2.995 10 0 AFAERN Fc1cc(F)c2c(c1)CC=C2 54962311 171195572 /nfs/dbraw/zinc/19/55/72/171195572.db2.gz UVQLWAPGYKLQKQ-UHFFFAOYSA-N 0 0 152.143 2.534 10 0 AFAERN CC/C=C/c1ccncc1 59970623 171196799 /nfs/dbraw/zinc/19/67/99/171196799.db2.gz YIKYVFNFLHAUPA-ONEGZZNKSA-N 0 0 133.194 2.505 10 0 AFAERN C=Cc1cc(C)cc(C)c1O 62715602 171197515 /nfs/dbraw/zinc/19/75/15/171197515.db2.gz RUDLLIGSXKUVMF-UHFFFAOYSA-N 0 0 148.205 2.652 10 0 AFAERN CC(C)c1cccc2ncoc12 62498482 171197633 /nfs/dbraw/zinc/19/76/33/171197633.db2.gz QFZIUZHRUUZNSO-UHFFFAOYSA-N 0 0 161.204 2.951 10 0 AFAERN CCCCc1cc(N)c2ocnc2c1 62520652 171197690 /nfs/dbraw/zinc/19/76/90/171197690.db2.gz DUHQSPZLXCLENQ-UHFFFAOYSA-N 0 0 190.246 2.753 10 0 AFAERN CC(C)c1cccc2c1OCCN2 62519738 171197728 /nfs/dbraw/zinc/19/77/28/171197728.db2.gz VJBLWEFRSUOTGH-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN Fc1cc(F)c2oc(C3CC3)nc2c1 62521976 171197845 /nfs/dbraw/zinc/19/78/45/171197845.db2.gz ZZTGOCPBGYXYQY-UHFFFAOYSA-N 0 0 195.168 2.983 10 0 AFAERN COc1ccc(O)c2c1C(C)=CCC2 62719844 171198457 /nfs/dbraw/zinc/19/84/57/171198457.db2.gz FOLXIYSKBQEXQT-UHFFFAOYSA-N 0 0 190.242 2.750 10 0 AFAERN CCCc1nnc(-c2cccs2)o1 64556811 171199014 /nfs/dbraw/zinc/19/90/14/171199014.db2.gz SAUMWGXZLKAHKX-UHFFFAOYSA-N 0 0 194.259 2.751 10 0 AFAERN O=Cc1ccc(Cl)c2cnccc12 96859280 171199137 /nfs/dbraw/zinc/19/91/37/171199137.db2.gz GHBVOTSWWKPNCG-UHFFFAOYSA-N 0 0 191.617 2.701 10 0 AFAERN CCCc1nnc(-c2ccsc2)o1 64556935 171199448 /nfs/dbraw/zinc/19/94/48/171199448.db2.gz DLRKTWDUDGCPFU-UHFFFAOYSA-N 0 0 194.259 2.751 10 0 AFAERN CC(C)/C=C/Br 66351562 171200029 /nfs/dbraw/zinc/20/00/29/171200029.db2.gz OZAGLZYGLSIUTG-ONEGZZNKSA-N 0 0 149.031 2.551 10 0 AFAERN CC(C)CC(=O)N1CCCC12CCC2 334620655 171200076 /nfs/dbraw/zinc/20/00/76/171200076.db2.gz XEFVVOWRLJAEKC-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@@H](C)C(=O)N1CC(C(C)(C)C)C1 335095662 171202083 /nfs/dbraw/zinc/20/20/83/171202083.db2.gz SBXIYPXNLSQAHI-SECBINFHSA-N 0 0 197.322 2.537 10 0 AFAERN FC(=C1CCC1)c1nc(C2CC2)no1 335277270 171202201 /nfs/dbraw/zinc/20/22/01/171202201.db2.gz LSJGXYYWOURPJZ-UHFFFAOYSA-N 0 0 194.209 2.812 10 0 AFAERN CC[C@@H]1CCN1C(=O)C(C)(C)C(C)C 335458801 171202380 /nfs/dbraw/zinc/20/23/80/171202380.db2.gz XPBLGCKEBAHUMF-SNVBAGLBSA-N 0 0 197.322 2.680 10 0 AFAERN CNc1ccc(C)cc1SC 335632191 171203852 /nfs/dbraw/zinc/20/38/52/171203852.db2.gz DJFHSSLWMGWWTI-UHFFFAOYSA-N 0 0 167.277 2.759 10 0 AFAERN CC[C@@H](C)C(=O)N1CCCCC[C@@H]1C 335671256 171204838 /nfs/dbraw/zinc/20/48/38/171204838.db2.gz UQPVKNCMMGEMEN-MNOVXSKESA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@@H](C)C(=O)N1CCCCC[C@H]1C 335671255 171204867 /nfs/dbraw/zinc/20/48/67/171204867.db2.gz UQPVKNCMMGEMEN-GHMZBOCLSA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)N(C)C(=O)CC1CC(C)(C)C1 335682707 171204932 /nfs/dbraw/zinc/20/49/32/171204932.db2.gz FPIJJRCNMIJYBL-UHFFFAOYSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H](C)C(=O)N1CCCC12CCC2 335815811 171205681 /nfs/dbraw/zinc/20/56/81/171205681.db2.gz NMDWLOPCXMXSAI-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CCC1(C(=O)N2[C@@H](C)C[C@H]2C)CCC1 335792538 171206011 /nfs/dbraw/zinc/20/60/11/171206011.db2.gz VEZYSFXKAWCQNC-AOOOYVTPSA-N 0 0 195.306 2.576 10 0 AFAERN CCC1(C(=O)N2[C@H](C)C[C@H]2C)CCC1 335792539 171206326 /nfs/dbraw/zinc/20/63/26/171206326.db2.gz VEZYSFXKAWCQNC-NXEZZACHSA-N 0 0 195.306 2.576 10 0 AFAERN CCC1(C(=O)N2[C@@H](C)C[C@@H]2C)CCC1 335792540 171206355 /nfs/dbraw/zinc/20/63/55/171206355.db2.gz VEZYSFXKAWCQNC-UWVGGRQHSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@@H]1OC(C)(C)c2cccc(N)c21 167183677 171208705 /nfs/dbraw/zinc/20/87/05/171208705.db2.gz KRXQEWRCMBAALH-ZETCQYMHSA-N 0 0 177.247 2.595 10 0 AFAERN CC[C@@H]1CCN1C(=O)C1(CC)CCC1 336277123 171209809 /nfs/dbraw/zinc/20/98/09/171209809.db2.gz AXRQVTXOHCCCCP-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@@H](C)C(=O)N1CC[C@H](C(C)C)C1 336176139 171209884 /nfs/dbraw/zinc/20/98/84/171209884.db2.gz AQMHZECMZDJTON-MNOVXSKESA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@@H](C)C(=O)N1CC[C@@H](C(C)C)C1 336176138 171209922 /nfs/dbraw/zinc/20/99/22/171209922.db2.gz AQMHZECMZDJTON-GHMZBOCLSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)N(C)C(=O)CC1=CCCCC1 336627991 171211340 /nfs/dbraw/zinc/21/13/40/171211340.db2.gz DNUYKOJJNPMAPT-UHFFFAOYSA-N 0 0 195.306 2.744 10 0 AFAERN CC(C)C(=O)CC1CCCC1 39402175 171078608 /nfs/dbraw/zinc/07/86/08/171078608.db2.gz GFTSTFPOZFGGMP-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)(C)C(=O)CNc1ccccc1 39410205 171078623 /nfs/dbraw/zinc/07/86/23/171078623.db2.gz LWJOKNYQKIESSL-UHFFFAOYSA-N 0 0 191.274 2.714 10 0 AFAERN CCSC(=O)N(C(C)C)C(C)C 39322718 171078655 /nfs/dbraw/zinc/07/86/55/171078655.db2.gz JAYHROIJQUAQCI-UHFFFAOYSA-N 0 0 189.324 2.978 10 0 AFAERN CC/C=C/c1ccc(C=O)cc1 39381690 171078669 /nfs/dbraw/zinc/07/86/69/171078669.db2.gz XWAKZBAGJKSNGX-ONEGZZNKSA-N 0 0 160.216 2.922 10 0 AFAERN CC(=O)CCCC(C)(C)C 39416250 171078787 /nfs/dbraw/zinc/07/87/87/171078787.db2.gz MEOMYWBRBMUTFW-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN C/C=C(/C)[C@H]1CCC(C)(C)O1 5132601 171215104 /nfs/dbraw/zinc/21/51/04/171215104.db2.gz LPEYLSKLVYWOEQ-BZJXQOFCSA-N 0 0 154.253 2.910 10 0 endogenous,in-man AFAERN CCC/C=C/CCC(C)=O 5819403 171215210 /nfs/dbraw/zinc/21/52/10/171215210.db2.gz RXFZCBZCGBDPDT-AATRIKPKSA-N 0 0 140.226 2.712 10 0 endogenous,in-man AFAERN COc1ccc(O)c(CC=C(C)C)c1 14590750 171215483 /nfs/dbraw/zinc/21/54/83/171215483.db2.gz GKAOOQRLNNPWFH-UHFFFAOYSA-N 0 0 192.258 2.910 10 0 AFAERN CC(=O)C[C@@H]1CCCCCCC1=O 34329797 171216355 /nfs/dbraw/zinc/21/63/55/171216355.db2.gz REGAJTKYVCJGQB-JTQLQIEISA-N 0 0 182.263 2.505 10 0 AFAERN C/C=C/CCC(=O)CCC 37408514 171216897 /nfs/dbraw/zinc/21/68/97/171216897.db2.gz BCQGLRUZHQRSDG-HWKANZROSA-N 0 0 140.226 2.712 10 0 AFAERN C/C=C/CC/C=C/CCC(=O)OC 33950826 171216975 /nfs/dbraw/zinc/21/69/75/171216975.db2.gz ZYNYTTXGMNCKDP-DYWGDJMRSA-N 0 0 182.263 2.852 10 0 AFAERN CC/C=C/CCCCC(=O)OC 33841999 171217114 /nfs/dbraw/zinc/21/71/14/171217114.db2.gz IAXJWKAHMIYBRY-SNAWJCMRSA-N 0 0 170.252 2.686 10 0 AFAERN COc1ccc2[nH]ccc(=S)c2c1 40175659 171217523 /nfs/dbraw/zinc/21/75/23/171217523.db2.gz MTOKJFCAYHDMJP-UHFFFAOYSA-N 0 0 191.255 2.906 10 0 AFAERN Fc1cc(F)c2[nH]ccc(=S)c2c1 40175571 171217772 /nfs/dbraw/zinc/21/77/72/171217772.db2.gz BRJYGYOVYUEYJY-UHFFFAOYSA-N 0 0 197.209 2.802 10 0 AFAERN COc1ccc2c(C)ncc(C)c2c1 197289164 171218843 /nfs/dbraw/zinc/21/88/43/171218843.db2.gz GOGVNTDQQMRHHA-UHFFFAOYSA-N 0 0 187.242 2.860 10 0 AFAERN CCCCc1ccc(C(C)=O)cn1 196552604 171218996 /nfs/dbraw/zinc/21/89/96/171218996.db2.gz JKJCIYLACNNCNV-UHFFFAOYSA-N 0 0 177.247 2.627 10 0 AFAERN CC=C=Cc1ccccc1 78095474 171219679 /nfs/dbraw/zinc/21/96/79/171219679.db2.gz XTKAHDQLUKRHID-UHFFFAOYSA-N 0 0 130.190 2.875 10 0 AFAERN C[Si](C)(C)/C=C/c1ccccn1 255970317 171219782 /nfs/dbraw/zinc/21/97/82/171219782.db2.gz DVCXMMVTLXYHAD-VQHVLOKHSA-N 0 0 177.323 2.972 10 0 AFAERN N/C(=C\c1ccccn1)c1ccccc1 255962449 171219828 /nfs/dbraw/zinc/21/98/28/171219828.db2.gz ALMLTRYQDPRNBB-RAXLEYEMSA-N 0 0 196.253 2.538 10 0 AFAERN C/C=C\Cc1cncc(C)c1 256010096 171220552 /nfs/dbraw/zinc/22/05/52/171220552.db2.gz WXMFRFCRUHOFJY-ARJAWSKDSA-N 0 0 147.221 2.509 10 0 AFAERN c1ccc([C@@H]2CCCCO2)cc1 1756696 171220807 /nfs/dbraw/zinc/22/08/07/171220807.db2.gz TZOIYNLRZQUAQF-NSHDSACASA-N 0 0 162.232 2.928 10 0 AFAERN CC(C)/C=C1/OC(=O)c2ccccc21 5358268 171221638 /nfs/dbraw/zinc/22/16/38/171221638.db2.gz LYSNVWBBICAAMS-YRNVUSSQSA-N 0 0 188.226 2.854 10 0 endogenous,in-man AFAERN C=CSc1nc2ccccc2[nH]1 5495154 171221887 /nfs/dbraw/zinc/22/18/87/171221887.db2.gz XBLYMBSCQKOCPJ-UHFFFAOYSA-N 0 0 176.244 2.799 10 0 AFAERN c1cnc2c(c1)CCCCCC2 5162123 171222031 /nfs/dbraw/zinc/22/20/31/171222031.db2.gz ZCXXDEJQLTXXJL-UHFFFAOYSA-N 0 0 161.248 2.741 10 0 AFAERN Oc1ccc(Nc2cccnc2)cc1 82714765 171222183 /nfs/dbraw/zinc/22/21/83/171222183.db2.gz WCTWFRGXNFCCBG-UHFFFAOYSA-N 0 0 186.214 2.531 10 0 AFAERN S=c1[nH]cnc2cc(Cl)ccc12 17325705 171223329 /nfs/dbraw/zinc/22/33/29/171223329.db2.gz YOVNGYWYUZMMPG-UHFFFAOYSA-N 0 0 196.662 2.572 10 0 AFAERN S=c1c(Cl)c[nH]cc1Cl 83428709 171223399 /nfs/dbraw/zinc/22/33/99/171223399.db2.gz HHOHIIYJTDKSHU-UHFFFAOYSA-N 0 0 180.059 2.677 10 0 AFAERN Nc1ccc(F)c2c(Cl)c[nH]c12 90558057 171223941 /nfs/dbraw/zinc/22/39/41/171223941.db2.gz FNORAUFMMUVDOA-UHFFFAOYSA-N 0 0 184.601 2.543 10 0 AFAERN CC/C=C/C1=C(CC)COC1 90372561 171224053 /nfs/dbraw/zinc/22/40/53/171224053.db2.gz HZHUGURBBOCLEF-AATRIKPKSA-N 0 0 152.237 2.689 10 0 AFAERN C=CSc1cccc(Cl)n1 90494607 171224322 /nfs/dbraw/zinc/22/43/22/171224322.db2.gz YCBXTPGOPNUPDG-UHFFFAOYSA-N 0 0 171.652 2.971 10 0 AFAERN CC/C=C/CCO[C@@H]1CCCCO1 33610369 171225235 /nfs/dbraw/zinc/22/52/35/171225235.db2.gz SHZPEANSFIKVFI-UFFNRZRYSA-N 0 0 184.279 2.886 10 0 AFAERN CC(=O)C[C@H](C)c1ccc(C)o1 33605862 171225270 /nfs/dbraw/zinc/22/52/70/171225270.db2.gz SNCJRRZMGMKMBW-ZETCQYMHSA-N 0 0 166.220 2.671 10 0 AFAERN CC(=O)C[C@@H](C)c1ccc(C)o1 33605864 171225295 /nfs/dbraw/zinc/22/52/95/171225295.db2.gz SNCJRRZMGMKMBW-SSDOTTSWSA-N 0 0 166.220 2.671 10 0 AFAERN c1ccc([C@@H]2CCCS2)nc1 33606666 171225319 /nfs/dbraw/zinc/22/53/19/171225319.db2.gz MCXIBJPBLIURRN-VIFPVBQESA-N 0 0 165.261 2.650 10 0 AFAERN CC/C=C/CCO[C@H]1CCCCO1 33610371 171225679 /nfs/dbraw/zinc/22/56/79/171225679.db2.gz SHZPEANSFIKVFI-PGLGOXFNSA-N 0 0 184.279 2.886 10 0 AFAERN CC(C)c1cn(C(C)C)cn1 34075556 171225983 /nfs/dbraw/zinc/22/59/83/171225983.db2.gz FQGGMDHXCMSLQW-UHFFFAOYSA-N 0 0 152.241 2.587 10 0 AFAERN Cc1ccccc1[C@@H]1NCCCS1 33876550 171226510 /nfs/dbraw/zinc/22/65/10/171226510.db2.gz VCZYVPIGUBNQNP-LLVKDONJSA-N 0 0 193.315 2.720 10 0 AFAERN CC/C=C/c1ccc2c(c1)OCO2 37628028 171226706 /nfs/dbraw/zinc/22/67/06/171226706.db2.gz ZLMZMSBNIVMXHF-ONEGZZNKSA-N 0 0 176.215 2.839 10 0 AFAERN CCC/C=C1/NC(=O)c2ccccc21 205353892 171226753 /nfs/dbraw/zinc/22/67/53/171226753.db2.gz XOWBEICOULYQAT-DHZHZOJOSA-N 0 0 187.242 2.571 10 0 AFAERN CC[C@H](O)C1C2CC3CC(C2)CC1C3 149571328 344068128 /nfs/dbraw/zinc/06/81/28/344068128.db2.gz OIWLPBBAMMNMLY-IYBFBTBFSA-N 0 0 194.318 2.830 10 0 AFAERN CC1(C)CCC[C@]2(C)C[C@H](O)C=C12 149573428 344068133 /nfs/dbraw/zinc/06/81/33/344068133.db2.gz DEKKZNMPMOJJEG-BXKDBHETSA-N 0 0 180.291 2.894 10 0 AFAERN CC1(C)CCC[C@]2(C)C[C@@H](O)C=C12 149573046 344068166 /nfs/dbraw/zinc/06/81/66/344068166.db2.gz DEKKZNMPMOJJEG-JOYOIKCWSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@@H](O)C1C2CC3CC(C2)CC1C3 149571528 344068171 /nfs/dbraw/zinc/06/81/71/344068171.db2.gz OIWLPBBAMMNMLY-RVTXZMPXSA-N 0 0 194.318 2.830 10 0 AFAERN Cc1cc(F)cc(Cl)c1F 149630768 344068739 /nfs/dbraw/zinc/06/87/39/344068739.db2.gz PXRNMCOGVZHHTC-UHFFFAOYSA-N 0 0 162.566 2.927 10 0 AFAERN C[C@@H]1CC[C@@H]2CCC[C@H]21 149935434 344073753 /nfs/dbraw/zinc/07/37/53/344073753.db2.gz XWDLMQDCTIPQFS-VGMNWLOBSA-N 0 0 124.227 2.833 10 0 AFAERN CNc1ccc(NC(C)C)cc1 149956285 344074297 /nfs/dbraw/zinc/07/42/97/344074297.db2.gz LNMDVKRWWKJAQW-UHFFFAOYSA-N 0 0 164.252 2.549 10 0 AFAERN CCNc1c(C)cc(C)cc1F 149961156 344074301 /nfs/dbraw/zinc/07/43/01/344074301.db2.gz YMBHBZOIKMRASL-UHFFFAOYSA-N 0 0 167.227 2.874 10 0 AFAERN O[C@H](c1ccsc1)C(F)(F)Cl 156650039 344093476 /nfs/dbraw/zinc/09/34/76/344093476.db2.gz WNSNWLNQBLGDBG-RXMQYKEDSA-N 0 0 198.621 2.613 10 0 AFAERN O[C@@H](c1ccsc1)C(F)(F)Cl 156649912 344093478 /nfs/dbraw/zinc/09/34/78/344093478.db2.gz WNSNWLNQBLGDBG-YFKPBYRVSA-N 0 0 198.621 2.613 10 0 AFAERN O[C@H](C1CCCCC1)C(F)(F)Cl 156646248 344093502 /nfs/dbraw/zinc/09/35/02/344093502.db2.gz NUGFSFWBQVHHNZ-SSDOTTSWSA-N 0 0 198.640 2.759 10 0 AFAERN Oc1cc(F)cc(-c2ccoc2)c1 156734434 344094672 /nfs/dbraw/zinc/09/46/72/344094672.db2.gz RMEMYBFCERGDJQ-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN Oc1ccc(-c2ccoc2)c(F)c1 156735206 344094706 /nfs/dbraw/zinc/09/47/06/344094706.db2.gz RUSRDOQOAYQEQM-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN Cc1ccc(O)c(-c2ccoc2)c1 156734911 344094711 /nfs/dbraw/zinc/09/47/11/344094711.db2.gz CWHDSISIUJLYJJ-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN Cc1cc(O)ccc1-c1ccoc1 156735567 344094715 /nfs/dbraw/zinc/09/47/15/344094715.db2.gz QRFCYMSUPAMZLN-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN COc1cccc(-c2ccoc2)c1O 156734748 344094718 /nfs/dbraw/zinc/09/47/18/344094718.db2.gz FNNRAXUOOXWUBW-UHFFFAOYSA-N 0 0 190.198 2.661 10 0 AFAERN Oc1ccc(F)cc1-c1ccoc1 156735718 344094726 /nfs/dbraw/zinc/09/47/26/344094726.db2.gz YWFPVLBPMKSWQP-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN Cc1cc(O)ccc1-c1ccco1 156736736 344094739 /nfs/dbraw/zinc/09/47/39/344094739.db2.gz LIWQUFWAOSHRRP-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN CC(C)Cc1ccc(F)cc1O 156761132 344095229 /nfs/dbraw/zinc/09/52/29/344095229.db2.gz XIIIMWVAHCCMCO-UHFFFAOYSA-N 0 0 168.211 2.730 10 0 AFAERN COc1cccc(CC(C)C)c1O 156761272 344095242 /nfs/dbraw/zinc/09/52/42/344095242.db2.gz PTOANORVPJDLLB-UHFFFAOYSA-N 0 0 180.247 2.599 10 0 AFAERN Cc1ccc(-c2ncccc2O)s1 156773384 344095261 /nfs/dbraw/zinc/09/52/61/344095261.db2.gz WCTQAXLNRGKGKV-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CC(C)Cc1cc(O)cc(F)c1 156760993 344095295 /nfs/dbraw/zinc/09/52/95/344095295.db2.gz GLERKLNPGFCGSL-UHFFFAOYSA-N 0 0 168.211 2.730 10 0 AFAERN Cc1ccc(-c2ccc(O)cn2)s1 156623587 344092855 /nfs/dbraw/zinc/09/28/55/344092855.db2.gz GXLPTIMXJCHRQG-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc(C(=O)C(F)F)cs1 156627921 344092864 /nfs/dbraw/zinc/09/28/64/344092864.db2.gz GYBWCTJWZOXAEV-UHFFFAOYSA-N 0 0 176.187 2.504 10 0 AFAERN O=C(c1ccsc1)C(F)(F)Cl 156631522 344092868 /nfs/dbraw/zinc/09/28/68/344092868.db2.gz XWGQVPVANZYTQE-UHFFFAOYSA-N 0 0 196.605 2.762 10 0 AFAERN Cc1ccncc1-c1cccc(O)c1 156625092 344092869 /nfs/dbraw/zinc/09/28/69/344092869.db2.gz PPOSWBBDDKWONI-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN O=C(CC1CCC1)C(F)(F)Cl 156629682 344092872 /nfs/dbraw/zinc/09/28/72/344092872.db2.gz FICMKVLCYXBDNG-UHFFFAOYSA-N 0 0 182.597 2.577 10 0 AFAERN Cc1cc(-c2ccc(O)cn2)cs1 156623211 344092883 /nfs/dbraw/zinc/09/28/83/344092883.db2.gz OOILVIKOXIYSRD-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CO[C@@H](C)c1nc(C2CC2)cs1 157653743 344111489 /nfs/dbraw/zinc/11/14/89/344111489.db2.gz CQHREMZSFZVJST-LURJTMIESA-N 0 0 183.276 2.728 10 0 AFAERN CCc1ccc(-c2nnc(Cl)o2)o1 157789398 344114506 /nfs/dbraw/zinc/11/45/06/344114506.db2.gz ZDGUKDJBWSHHHD-UHFFFAOYSA-N 0 0 198.609 2.545 10 0 AFAERN CC(C)(C)CC[C@]1(F)CCC[NH2+]C1 158084481 344117951 /nfs/dbraw/zinc/11/79/51/344117951.db2.gz JGHAFBRYKLXBBK-LLVKDONJSA-N 0 0 187.302 2.904 10 0 AFAERN CCCc1csc([C@H]2CCOC2)n1 158158867 344120627 /nfs/dbraw/zinc/12/06/27/344120627.db2.gz WXMWXPOEOVUKFH-QMMMGPOBSA-N 0 0 197.303 2.600 10 0 AFAERN CCCc1csc([C@@H]2CCOC2)n1 158158725 344120629 /nfs/dbraw/zinc/12/06/29/344120629.db2.gz WXMWXPOEOVUKFH-MRVPVSSYSA-N 0 0 197.303 2.600 10 0 AFAERN CCC(=O)[C@H]1Cc2ccccc2S1 158251739 344122761 /nfs/dbraw/zinc/12/27/61/344122761.db2.gz DJLBDMLOVICLMQ-LLVKDONJSA-N 0 0 192.283 2.683 10 0 AFAERN Fc1ccccc1-c1nc(Cl)no1 158585833 344129247 /nfs/dbraw/zinc/12/92/47/344129247.db2.gz BRMVOKZTBISFCN-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN Cc1cccc(C)c1CC(=O)C(F)F 158644144 344130146 /nfs/dbraw/zinc/13/01/46/344130146.db2.gz FUBITJHTACXTDH-UHFFFAOYSA-N 0 0 198.212 2.680 10 0 AFAERN c1sc([C@@H]2CCCO2)nc1C1CC1 158687531 344131052 /nfs/dbraw/zinc/13/10/52/344131052.db2.gz KZSWWNQPVNPOIT-VIFPVBQESA-N 0 0 195.287 2.872 10 0 AFAERN CC[C@@H](O)[C@@H]1CSc2ccccc21 159287090 344142040 /nfs/dbraw/zinc/14/20/40/344142040.db2.gz ILMNBNYBZWDYSL-NXEZZACHSA-N 0 0 194.299 2.647 10 0 AFAERN COC1(C(=O)C2CC2)CCCCCC1 159461825 344145075 /nfs/dbraw/zinc/14/50/75/344145075.db2.gz GTULRNGATWIMEF-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H](C)Nc1cc(C)cc(N)c1 159849569 344153147 /nfs/dbraw/zinc/15/31/47/344153147.db2.gz VRUOHQQGINOMSL-SECBINFHSA-N 0 0 178.279 2.788 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(F)cc1C 159935191 344154404 /nfs/dbraw/zinc/15/44/04/344154404.db2.gz DZLWIHBKZHEVNV-BXKDBHETSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(F)cc1C 159935564 344154406 /nfs/dbraw/zinc/15/44/06/344154406.db2.gz DZLWIHBKZHEVNV-CABZTGNLSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1nc(C(=O)C(C)(C)C)cs1 159929911 344154467 /nfs/dbraw/zinc/15/44/67/344154467.db2.gz BETPJDPDJVSHND-UHFFFAOYSA-N 0 0 183.276 2.680 10 0 AFAERN CC(C)(C)[C@]1(C)CCC(=O)C1 159959351 344155481 /nfs/dbraw/zinc/15/54/81/344155481.db2.gz YBRCHZOIAUVHSF-SNVBAGLBSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)(C)[C@@]1(C)CCC(=O)C1 159959221 344155483 /nfs/dbraw/zinc/15/54/83/344155483.db2.gz YBRCHZOIAUVHSF-JTQLQIEISA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H]1CC[C@@](O)(C2=COCCC2)C1 159968575 344155498 /nfs/dbraw/zinc/15/54/98/344155498.db2.gz JXZVQXTUBAIFMZ-PWSUYJOCSA-N 0 0 196.290 2.622 10 0 AFAERN O=C1CCCC[C@@H]1C1CCC1 160235177 344160706 /nfs/dbraw/zinc/16/07/06/344160706.db2.gz LRXPEVTVZCNNOB-SECBINFHSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cc(F)c2ncnc(Cl)c2c1 160097321 344158257 /nfs/dbraw/zinc/15/82/57/344158257.db2.gz UDIOECUSDFPDER-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN Cc1ccc(C)c2c(Cl)ncnc12 160097497 344158262 /nfs/dbraw/zinc/15/82/62/344158262.db2.gz QQXIBKLOVCCCNL-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN CC(=N)Nc1c(F)cccc1Cl 160411741 344165220 /nfs/dbraw/zinc/16/52/20/344165220.db2.gz UEICPRJKLPCMKW-UHFFFAOYSA-N 0 0 186.617 2.888 10 0 AFAERN C[C@@H](O)/C=C/c1coc2ccccc12 160504960 344167521 /nfs/dbraw/zinc/16/75/21/344167521.db2.gz QAZJDGZOSNMNCO-XCODYQFDSA-N 0 0 188.226 2.827 10 0 AFAERN Cc1ccc(/C=C/[C@@H](C)O)cc1F 160532657 344168842 /nfs/dbraw/zinc/16/88/42/344168842.db2.gz PTHAWVWLBJZRAG-OTQAPUNGSA-N 0 0 180.222 2.528 10 0 AFAERN C[C@@H]1Oc2c(Cl)cccc2N[C@@H]1C 160532995 344168979 /nfs/dbraw/zinc/16/89/79/344168979.db2.gz VKXUKNLJJDNFQH-RQJHMYQMSA-N 0 0 197.665 2.921 10 0 AFAERN CC(C)=C[C@H](O)[C@H]1CCCCS1 160861535 344179483 /nfs/dbraw/zinc/17/94/83/344179483.db2.gz SJMXDYGKOVGHJO-VHSXEESVSA-N 0 0 186.320 2.599 10 0 AFAERN C[C@H]1C[C@H](C)CC(O)(CC2CC2)C1 161162151 344186337 /nfs/dbraw/zinc/18/63/37/344186337.db2.gz OZWDVJPSOXMPFW-UWVGGRQHSA-N 0 0 182.307 2.974 10 0 AFAERN O[C@H](CC1CC1)[C@@H]1CC=CCC1 161157719 344186342 /nfs/dbraw/zinc/18/63/42/344186342.db2.gz IPPAWAVUPRSSBE-GHMZBOCLSA-N 0 0 166.264 2.504 10 0 AFAERN Cc1ccoc1-c1ncc(C=O)s1 161177993 344186346 /nfs/dbraw/zinc/18/63/46/344186346.db2.gz RIYOWYBHZQIKPE-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN N#CNc1c(F)cc(F)cc1Cl 161167023 344186347 /nfs/dbraw/zinc/18/63/47/344186347.db2.gz DSSUQFYKZJIGDS-UHFFFAOYSA-N 0 0 188.564 2.511 10 0 AFAERN O[C@H](CC1CC1)[C@H]1CC=CCC1 161157858 344186353 /nfs/dbraw/zinc/18/63/53/344186353.db2.gz IPPAWAVUPRSSBE-WDEREUQCSA-N 0 0 166.264 2.504 10 0 AFAERN O[C@@H](CC1CC1)[C@H]1CC=CCC1 161158076 344186355 /nfs/dbraw/zinc/18/63/55/344186355.db2.gz IPPAWAVUPRSSBE-QWRGUYRKSA-N 0 0 166.264 2.504 10 0 AFAERN O[C@]1(CC2CC2)CCCc2occc21 161174629 344186367 /nfs/dbraw/zinc/18/63/67/344186367.db2.gz HCEMVMAVXQMFDO-LBPRGKRZSA-N 0 0 192.258 2.604 10 0 AFAERN CCCCc1nc2cc(O)ccc2[nH]1 161181177 344186763 /nfs/dbraw/zinc/18/67/63/344186763.db2.gz VVRNGHFOHODPDM-UHFFFAOYSA-N 0 0 190.246 2.611 10 0 AFAERN Cc1ccc([C@@H](O)C2CCC2)cc1F 161229013 344187278 /nfs/dbraw/zinc/18/72/78/344187278.db2.gz HGSYDNKPXOZBIN-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN O=C1CCCCC[C@H]1C1CCC1 161552972 344193665 /nfs/dbraw/zinc/19/36/65/344193665.db2.gz MHLWIYVMEXUNOM-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN Cc1ccc2c(c1)NC[C@@H](C)S2 161564145 344193667 /nfs/dbraw/zinc/19/36/67/344193667.db2.gz UYRXUYHSOLQHLH-MRVPVSSYSA-N 0 0 179.288 2.901 10 0 AFAERN O=C1CCCCC[C@@H]1C1CCC1 161552829 344193684 /nfs/dbraw/zinc/19/36/84/344193684.db2.gz MHLWIYVMEXUNOM-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN CCc1ccccc1[C@]1(O)C[C@@H]1CC 162179556 344204971 /nfs/dbraw/zinc/20/49/71/344204971.db2.gz VJAJYRILVNBOOT-AAEUAGOBSA-N 0 0 190.286 2.867 10 0 AFAERN C[C@H](c1cc2ccccc2o1)[C@@H](C)O 161941730 344200905 /nfs/dbraw/zinc/20/09/05/344200905.db2.gz WTMDHFZURINLTQ-DTWKUNHWSA-N 0 0 190.242 2.917 10 0 AFAERN CCOc1cccc2c1NCCS2 162410942 344207684 /nfs/dbraw/zinc/20/76/84/344207684.db2.gz LLDPKQMINGSXSM-UHFFFAOYSA-N 0 0 195.287 2.603 10 0 AFAERN C[C@@H]1CNc2c(F)cccc2S1 162426987 344208024 /nfs/dbraw/zinc/20/80/24/344208024.db2.gz GHMUACZLPYUTMN-ZCFIWIBFSA-N 0 0 183.251 2.732 10 0 AFAERN C[C@@H]1CNc2ccc(F)cc2S1 162427254 344208038 /nfs/dbraw/zinc/20/80/38/344208038.db2.gz SUIPFWMLQBYOJA-ZCFIWIBFSA-N 0 0 183.251 2.732 10 0 AFAERN Cc1cccc2c1S[C@H](C)CN2 162424990 344208077 /nfs/dbraw/zinc/20/80/77/344208077.db2.gz HSDCYRPRGMHNNT-MRVPVSSYSA-N 0 0 179.288 2.901 10 0 AFAERN COc1cccc2c1NC[C@@H](C)S2 162432942 344208607 /nfs/dbraw/zinc/20/86/07/344208607.db2.gz BKOBCHOOTCISLH-SSDOTTSWSA-N 0 0 195.287 2.601 10 0 AFAERN C[C@@H]1CNc2cc(F)ccc2S1 162430731 344208613 /nfs/dbraw/zinc/20/86/13/344208613.db2.gz PJSPCPZLMZZMAB-ZCFIWIBFSA-N 0 0 183.251 2.732 10 0 AFAERN CCNc1ccc2ccc(F)cc2n1 162506221 344209107 /nfs/dbraw/zinc/20/91/07/344209107.db2.gz DLCFINZCOAMJPV-UHFFFAOYSA-N 0 0 190.221 2.806 10 0 AFAERN CC(C)c1ccc(C=O)cc1F 162578151 344210431 /nfs/dbraw/zinc/21/04/31/344210431.db2.gz QWNAGJLCKLCPTR-UHFFFAOYSA-N 0 0 166.195 2.762 10 0 AFAERN CCCC(=O)[C@@]1(C)CCCS1 162601502 344210812 /nfs/dbraw/zinc/21/08/12/344210812.db2.gz WZBDGNZQDBTOPP-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN C[C@@]1(C(=O)CC2CC2)CCCS1 162601789 344210815 /nfs/dbraw/zinc/21/08/15/344210815.db2.gz WZOCQRKGQFLBTN-JTQLQIEISA-N 0 0 184.304 2.641 10 0 AFAERN C[C@]1(C(=O)CC2CC2)CCCS1 162601645 344210935 /nfs/dbraw/zinc/21/09/35/344210935.db2.gz WZOCQRKGQFLBTN-SNVBAGLBSA-N 0 0 184.304 2.641 10 0 AFAERN Cc1ccnc2c1NCC(C)(C)S2 162727790 344212763 /nfs/dbraw/zinc/21/27/63/344212763.db2.gz FZXDPBYVPVYYAT-UHFFFAOYSA-N 0 0 194.303 2.686 10 0 AFAERN Cc1ccc2c(n1)S[C@@H](C)CCN2 162745650 344213187 /nfs/dbraw/zinc/21/31/87/344213187.db2.gz RKINOSRYMDCERT-QMMMGPOBSA-N 0 0 194.303 2.686 10 0 AFAERN Cc1ccc(F)c2n[nH]c(Cl)c12 162971770 344217276 /nfs/dbraw/zinc/21/72/76/344217276.db2.gz YORDSQGPPVFXEJ-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN C[C@H](CNc1nncs1)C(C)(C)C 163025227 344218431 /nfs/dbraw/zinc/21/84/31/344218431.db2.gz JFZZMYKNPRLONV-SSDOTTSWSA-N 0 0 199.323 2.632 10 0 AFAERN CC(C)Oc1ccc2c(ccn2C)c1 163084272 344219439 /nfs/dbraw/zinc/21/94/39/344219439.db2.gz NYEOAEXWEZVPLB-UHFFFAOYSA-N 0 0 189.258 2.966 10 0 AFAERN Nc1c(Cl)cccc1OC1CCC1 163119902 344219855 /nfs/dbraw/zinc/21/98/55/344219855.db2.gz ZDKZTGMNXNJXHB-UHFFFAOYSA-N 0 0 197.665 2.854 10 0 AFAERN CC[C@](C)(O)Cc1ccc(F)cc1C 163317620 344222158 /nfs/dbraw/zinc/22/21/58/344222158.db2.gz DMVRMEJPOFBCGR-LBPRGKRZSA-N 0 0 196.265 2.838 10 0 AFAERN Cc1cc(F)ccc1C[C@H](C)[C@H](C)O 163375703 344222348 /nfs/dbraw/zinc/22/23/48/344222348.db2.gz PSIKMKPDBOPFRC-WPRPVWTQSA-N 0 0 196.265 2.694 10 0 AFAERN C[C@H](CNc1ccncn1)C(C)(C)C 163045790 344218540 /nfs/dbraw/zinc/21/85/40/344218540.db2.gz OHVJUHDAJMRDDS-SECBINFHSA-N 0 0 193.294 2.571 10 0 AFAERN Nc1c(Cl)cccc1NCC1CC1 163041937 344218756 /nfs/dbraw/zinc/21/87/56/344218756.db2.gz MLPPQGYFDYNIAE-UHFFFAOYSA-N 0 0 196.681 2.744 10 0 AFAERN CC[C@@H](C)CNc1ncncc1Cl 163610202 344225922 /nfs/dbraw/zinc/22/59/22/344225922.db2.gz YZJMPHAMJOZDSJ-SSDOTTSWSA-N 0 0 199.685 2.588 10 0 AFAERN CCCC(=O)c1occc1C 163864694 344231743 /nfs/dbraw/zinc/23/17/43/344231743.db2.gz OUXWQBFGUVQKRI-UHFFFAOYSA-N 0 0 152.193 2.571 10 0 AFAERN CC[C@@H](C)C(=O)c1occc1C 163868740 344231745 /nfs/dbraw/zinc/23/17/45/344231745.db2.gz OCPSVRWXZBMZFW-SSDOTTSWSA-N 0 0 166.220 2.817 10 0 AFAERN CCCC(C)(C)Nc1ncccc1N 164020519 344235086 /nfs/dbraw/zinc/23/50/86/344235086.db2.gz QWCCYRYDTFYVHP-UHFFFAOYSA-N 0 0 193.294 2.654 10 0 AFAERN CS[C@H](C)CNc1ccc(C)cn1 164005734 344235103 /nfs/dbraw/zinc/23/51/03/344235103.db2.gz CKLFBGPNWJNAHQ-SECBINFHSA-N 0 0 196.319 2.553 10 0 AFAERN C[C@H](O)C1=CCCCCCC1 164616262 344248250 /nfs/dbraw/zinc/24/82/50/344248250.db2.gz SOJVYOYNGOHUBT-VIFPVBQESA-N 0 0 154.253 2.648 10 0 AFAERN FC(F)(F)CCc1nccs1 164701803 344250151 /nfs/dbraw/zinc/25/01/51/344250151.db2.gz ZOZAGHKEVXEQRN-UHFFFAOYSA-N 0 0 181.182 2.638 10 0 AFAERN CCc1csc([C@@H]2C[C@H]2C)n1 164719288 344250595 /nfs/dbraw/zinc/25/05/95/344250595.db2.gz ZBXVXQWAKSJQGD-HTRCEHHLSA-N 0 0 167.277 2.829 10 0 AFAERN CCc1csc([C@@H]2C[C@@H]2C)n1 164719061 344250600 /nfs/dbraw/zinc/25/06/00/344250600.db2.gz ZBXVXQWAKSJQGD-POYBYMJQSA-N 0 0 167.277 2.829 10 0 AFAERN Cc1cnc(CCC(F)(F)F)s1 164758729 344251570 /nfs/dbraw/zinc/25/15/70/344251570.db2.gz UFRPTLOZORTZAZ-UHFFFAOYSA-N 0 0 195.209 2.946 10 0 AFAERN CC(C)COc1nc(Cl)cs1 164916770 344254225 /nfs/dbraw/zinc/25/42/25/344254225.db2.gz OJWHGURBPLHLBV-UHFFFAOYSA-N 0 0 191.683 2.831 10 0 AFAERN CC[C@H](C)[C@@H](O)c1occc1C 165090505 344257989 /nfs/dbraw/zinc/25/79/89/344257989.db2.gz JYDMTYYCBDUUDB-IONNQARKSA-N 0 0 168.236 2.668 10 0 AFAERN CC[C@@H](C)[C@H](O)c1occc1C 165090159 344258105 /nfs/dbraw/zinc/25/81/05/344258105.db2.gz JYDMTYYCBDUUDB-APPZFPTMSA-N 0 0 168.236 2.668 10 0 AFAERN CCc1cnc([C@H]2CCCOC2)s1 164772460 344251776 /nfs/dbraw/zinc/25/17/76/344251776.db2.gz DCDARJMQHOCSGU-QMMMGPOBSA-N 0 0 197.303 2.600 10 0 AFAERN CCc1cnc([C@@H]2C[C@H]2C)s1 164762659 344251980 /nfs/dbraw/zinc/25/19/80/344251980.db2.gz HRPYMSOYBWTGJR-HTRCEHHLSA-N 0 0 167.277 2.829 10 0 AFAERN C=Cc1cccc(N)c1Cl 165416492 344263335 /nfs/dbraw/zinc/26/33/35/344263335.db2.gz UXGCAPKOIKMROZ-UHFFFAOYSA-N 0 0 153.612 2.565 10 0 AFAERN Fc1cc(OC2CCCC2)ccn1 165686715 344267277 /nfs/dbraw/zinc/26/72/77/344267277.db2.gz GPVMOSSLVDSXOM-UHFFFAOYSA-N 0 0 181.210 2.542 10 0 AFAERN Cc1ccc2c(c1)NC[C@@H](C)[C@@H](C)N2 165831699 344270630 /nfs/dbraw/zinc/27/06/30/344270630.db2.gz GJDWYAWBBQLRGU-NXEZZACHSA-N 0 0 190.290 2.857 10 0 AFAERN Cc1ccc2c(c1)NC[C@@H](C)[C@H](C)N2 165831485 344270655 /nfs/dbraw/zinc/27/06/55/344270655.db2.gz GJDWYAWBBQLRGU-ZJUUUORDSA-N 0 0 190.290 2.857 10 0 AFAERN C[C@H]1CNc2cc(F)ccc2N[C@H]1C 165837198 344271124 /nfs/dbraw/zinc/27/11/24/344271124.db2.gz SEGKZWNPZBLDRM-YUMQZZPRSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@@H]1Nc2cc(F)ccc2NC[C@H]1C 165839096 344271125 /nfs/dbraw/zinc/27/11/25/344271125.db2.gz NKWGYZPYDWVNGP-SFYZADRCSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@H]1CNc2cc(F)ccc2N[C@@H]1C 165836955 344271139 /nfs/dbraw/zinc/27/11/39/344271139.db2.gz SEGKZWNPZBLDRM-JGVFFNPUSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@@H]1CNc2cc(F)ccc2N[C@@H]1C 165836831 344271149 /nfs/dbraw/zinc/27/11/49/344271149.db2.gz SEGKZWNPZBLDRM-HTQZYQBOSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@@H]1Nc2cccc(F)c2NC[C@H]1C 165841585 344271164 /nfs/dbraw/zinc/27/11/64/344271164.db2.gz ZORPFVDHZQHTOB-SFYZADRCSA-N 0 0 194.253 2.688 10 0 AFAERN Cc1cccc2c(Cl)c(N)cnc12 165858017 344271637 /nfs/dbraw/zinc/27/16/37/344271637.db2.gz PWUKOTZNQHYYRL-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CC(C)N1CCCC[C@@H]1C(F)(F)F 166031334 344273788 /nfs/dbraw/zinc/27/37/88/344273788.db2.gz FMZVBPNCYAAEDU-MRVPVSSYSA-N 0 0 195.228 2.812 10 0 AFAERN COc1ccc(CCC2=CC2)cc1 166158146 344275477 /nfs/dbraw/zinc/27/54/77/344275477.db2.gz UYIJBHGRRFRLRO-UHFFFAOYSA-N 0 0 174.243 2.958 10 0 AFAERN COc1ccc(CC2=CC2)cc1 166145638 344275513 /nfs/dbraw/zinc/27/55/13/344275513.db2.gz KCZYXMQTLLALPV-UHFFFAOYSA-N 0 0 160.216 2.568 10 0 AFAERN CC12CCC(C)(CC1)C(=O)C2 166320422 344279468 /nfs/dbraw/zinc/27/94/68/344279468.db2.gz BLMWPQJQWOPVRR-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CO/N=C(\C)c1cccc(Cl)c1 166512246 344283728 /nfs/dbraw/zinc/28/37/28/344283728.db2.gz HASGORKVBVRGKT-YRNVUSSQSA-N 0 0 183.638 2.710 10 0 AFAERN CO[C@H](C)CNc1ccc(C)cc1F 166997314 344294821 /nfs/dbraw/zinc/29/48/21/344294821.db2.gz GQBQREZKVCOYDK-SECBINFHSA-N 0 0 197.253 2.581 10 0 AFAERN CCOC(=O)N[C@H]1CCCC(C)(C)C1 167023392 344295347 /nfs/dbraw/zinc/29/53/47/344295347.db2.gz REOYHUAQWRLWBL-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN C[C@H]1C[C@@H]1CNc1ccncc1Cl 167127770 344297934 /nfs/dbraw/zinc/29/79/34/344297934.db2.gz ZGFBJDJJDJKAPV-JGVFFNPUSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@]1(c2cccs2)CC[C@@H](O)C1 167189167 344299721 /nfs/dbraw/zinc/29/97/21/344299721.db2.gz LFGOGNWIMGRYMB-SCZZXKLOSA-N 0 0 182.288 2.551 10 0 AFAERN Cc1ccccc1[C@]1(C)CC[C@H](O)C1 167205220 344300143 /nfs/dbraw/zinc/30/01/43/344300143.db2.gz BCJPAIHYGQPYOR-WCQYABFASA-N 0 0 190.286 2.798 10 0 AFAERN C[C@H]1C[C@@H]1CNc1cccc(Cl)n1 167225278 344300929 /nfs/dbraw/zinc/30/09/29/344300929.db2.gz XGDXKLCUGPHOIG-JGVFFNPUSA-N 0 0 196.681 2.803 10 0 AFAERN CC(C)[C@@H](NN)c1ccccc1Cl 166820879 344289638 /nfs/dbraw/zinc/28/96/38/344289638.db2.gz BGTVXFSZRKTQNB-SNVBAGLBSA-N 0 0 198.697 2.500 10 0 AFAERN Cc1ccc(/C=C\n2ccnc2)cc1 166821537 344289740 /nfs/dbraw/zinc/28/97/40/344289740.db2.gz MARGNMNPJRMKQG-VURMDHGXSA-N 0 0 184.242 2.819 10 0 AFAERN C[C@]1(CC[C@@H]2CCCO2)CCC(=O)C1 166846154 344290928 /nfs/dbraw/zinc/29/09/28/344290928.db2.gz WDXSXECUGLBIAN-NWDGAFQWSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@]1(CC[C@H]2CCCO2)CCC(=O)C1 166846438 344290929 /nfs/dbraw/zinc/29/09/29/344290929.db2.gz WDXSXECUGLBIAN-NEPJUHHUSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)(C)[C@@H](NN)C1CCCCCC1 167470919 344305971 /nfs/dbraw/zinc/30/59/71/344305971.db2.gz OLUUTEIMTNLIEQ-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN Cc1ccc([C@@H](NN)C(C)(C)C)s1 167465104 344306025 /nfs/dbraw/zinc/30/60/25/344306025.db2.gz IYJHEIUYWRFBGR-SECBINFHSA-N 0 0 198.335 2.607 10 0 AFAERN CC1(C)CC[C@@](O)(C2=CCCCO2)C1 167476538 344306367 /nfs/dbraw/zinc/30/63/67/344306367.db2.gz VYWZWTKXIOZLAR-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H]1SCC(=O)c2ccccc21 167657154 344310749 /nfs/dbraw/zinc/31/07/49/344310749.db2.gz GPQHOEJRZCUFCZ-SSDOTTSWSA-N 0 0 178.256 2.677 10 0 AFAERN C[C@H]1CCC[C@](O)(C2=CCCO2)CC1 168037647 344319325 /nfs/dbraw/zinc/31/93/25/344319325.db2.gz HLBGRRYDOVVARM-CMPLNLGQSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1CCC[C@](O)(C2=CCCO2)CC1 168037539 344319407 /nfs/dbraw/zinc/31/94/07/344319407.db2.gz HLBGRRYDOVVARM-ZYHUDNBSSA-N 0 0 196.290 2.622 10 0 AFAERN CCc1cccc(C2=C[C@@H](O)CC2)c1 168314881 344328083 /nfs/dbraw/zinc/32/80/83/344328083.db2.gz GHZVMWYTOBKCCH-ZDUSSCGKSA-N 0 0 188.270 2.787 10 0 AFAERN Cc1cc(F)c(OC(F)F)c(F)c1 167902355 344316521 /nfs/dbraw/zinc/31/65/21/344316521.db2.gz DCLLVNRYUPOSTF-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN CC(=O)C[C@@H]1CC(C)(C)OC1(C)C 167902013 344316534 /nfs/dbraw/zinc/31/65/34/344316534.db2.gz SABHOVTYDUAPKI-SECBINFHSA-N 0 0 184.279 2.559 10 0 AFAERN CC(=O)C[C@H]1CC(C)(C)OC1(C)C 167902125 344316544 /nfs/dbraw/zinc/31/65/44/344316544.db2.gz SABHOVTYDUAPKI-VIFPVBQESA-N 0 0 184.279 2.559 10 0 AFAERN CCc1cccc([C@H](O)C2CC2)c1 167926705 344317216 /nfs/dbraw/zinc/31/72/16/344317216.db2.gz XJOBEIQXDWJNFN-GFCCVEGCSA-N 0 0 176.259 2.692 10 0 AFAERN CC1([C@@H](O)c2cccnc2)CCCC1 168878428 344339087 /nfs/dbraw/zinc/33/90/87/344339087.db2.gz KCRNCUNBKCMECK-NSHDSACASA-N 0 0 191.274 2.695 10 0 AFAERN C/C=C/CCNc1ccc(C)c(N)c1 168441319 344330892 /nfs/dbraw/zinc/33/08/92/344330892.db2.gz SJDZFOFPFWGREC-ONEGZZNKSA-N 0 0 190.290 2.955 10 0 AFAERN C=C=COCC[Si](C)(C)C 196236114 344356425 /nfs/dbraw/zinc/35/64/25/344356425.db2.gz LVEUINILHIQKJG-UHFFFAOYSA-N 0 0 156.301 2.640 10 0 AFAERN CC(=O)[C@H](C)[C@@H](C)C(C)C 196262264 344356427 /nfs/dbraw/zinc/35/64/27/344356427.db2.gz UWLQHQSZFFVTBU-JGVFFNPUSA-N 0 0 142.242 2.504 10 0 AFAERN CC1=CC[C@H]2C(=O)CCC[C@H]2C1 196235556 344356442 /nfs/dbraw/zinc/35/64/42/344356442.db2.gz LPPFWYHMYXLSTR-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN C/C=C\[Si](C)(C)c1ccccc1 196224848 344356444 /nfs/dbraw/zinc/35/64/44/344356444.db2.gz PIQWIRDSDKPAEP-WMZJFQQLSA-N 0 0 176.335 2.717 10 0 AFAERN CC[C@@H](COC(C)=O)c1ccccc1 196688950 344358412 /nfs/dbraw/zinc/35/84/12/344358412.db2.gz GOGUXIJDLQQQNK-NSHDSACASA-N 0 0 192.258 2.743 10 0 AFAERN FC1(F)CCCNc2ccccc21 169212444 344348926 /nfs/dbraw/zinc/34/89/26/344348926.db2.gz LRGICTHYUWHJPF-UHFFFAOYSA-N 0 0 183.201 2.984 10 0 AFAERN COc1ccc([C@@H]2CC[C@H](C)O2)cc1 199971349 344362345 /nfs/dbraw/zinc/36/23/45/344362345.db2.gz RICIIOLIUQUPAB-CABZTGNLSA-N 0 0 192.258 2.935 10 0 AFAERN COc1ccc([C@H]2CC[C@@H](C)O2)cc1 199971293 344362355 /nfs/dbraw/zinc/36/23/55/344362355.db2.gz RICIIOLIUQUPAB-BXKDBHETSA-N 0 0 192.258 2.935 10 0 AFAERN CC(C)(C)C[S@@](=O)c1ccccc1 200234234 344363020 /nfs/dbraw/zinc/36/30/20/344363020.db2.gz BTTVSOZNEBAKTK-CYBMUJFWSA-N 0 0 196.315 2.840 10 0 AFAERN C[C@@H]1C=CC(C)(C)C1 200784171 344363423 /nfs/dbraw/zinc/36/34/23/344363423.db2.gz DUDYIBGKPFJUEF-SSDOTTSWSA-N 0 0 110.200 2.609 10 0 AFAERN CCC(=O)N1CCC2(CCCCC2)C1 201562571 344365387 /nfs/dbraw/zinc/36/53/87/344365387.db2.gz IAVBRXAFGONSLW-UHFFFAOYSA-N 0 0 195.306 2.579 10 0 AFAERN Cc1cc(CC2CC2)cc(C)c1N 201593380 344365575 /nfs/dbraw/zinc/36/55/75/344365575.db2.gz ILAVDJFOLBRFCJ-UHFFFAOYSA-N 0 0 175.275 2.838 10 0 AFAERN CC(=O)N1C=Cc2ccccc2[C@@H]1C 202610454 344367244 /nfs/dbraw/zinc/36/72/44/344367244.db2.gz DJEYWLWEAUZEQI-VIFPVBQESA-N 0 0 187.242 2.580 10 0 AFAERN CC(=O)N1C=Cc2ccccc2[C@H]1C 202610438 344367345 /nfs/dbraw/zinc/36/73/45/344367345.db2.gz DJEYWLWEAUZEQI-SECBINFHSA-N 0 0 187.242 2.580 10 0 AFAERN C/C=C/[C@@H](O)CCCc1ccccc1 202922938 344367703 /nfs/dbraw/zinc/36/77/03/344367703.db2.gz DBRNHFDXDQRQFZ-DRRGCAIJSA-N 0 0 190.286 2.946 10 0 AFAERN CC(C)(C)C(C)(C)C(=O)N1CCCC1 202548610 344367224 /nfs/dbraw/zinc/36/72/24/344367224.db2.gz LAMQLHLDSRRJQD-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN Cn1nccc1-c1ccccc1Cl 205864805 344374741 /nfs/dbraw/zinc/37/47/41/344374741.db2.gz QUMMUPUUBWCXJP-UHFFFAOYSA-N 0 0 192.649 2.741 10 0 AFAERN C/C=C\[C@@H](O)CCCc1ccccc1 207392895 344376158 /nfs/dbraw/zinc/37/61/58/344376158.db2.gz DBRNHFDXDQRQFZ-WPRPQAPASA-N 0 0 190.286 2.946 10 0 AFAERN C/C=C\[C@H](O)CCCc1ccccc1 207392853 344376163 /nfs/dbraw/zinc/37/61/63/344376163.db2.gz DBRNHFDXDQRQFZ-MDVHNNDNSA-N 0 0 190.286 2.946 10 0 AFAERN CC1=CC(=O)O/C1=C/c1ccccc1 210320086 344377048 /nfs/dbraw/zinc/37/70/48/344377048.db2.gz MXAZHSSGVHXCBF-DHZHZOJOSA-N 0 0 186.210 2.531 10 0 AFAERN CC(C)=CCC/C(C)=C(\F)CO 211233943 344377370 /nfs/dbraw/zinc/37/73/70/344377370.db2.gz XAIXQWWXQKMCFZ-KTKRTIGZSA-N 0 0 172.243 2.969 10 0 AFAERN Cc1cc(OCc2ccccc2)no1 213518761 344381143 /nfs/dbraw/zinc/38/11/43/344381143.db2.gz XGDFGIRPCWPIIX-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN Cc1cc(N)c(-c2ccc[nH]2)cc1C 214694468 344382766 /nfs/dbraw/zinc/38/27/66/344382766.db2.gz UVARGUWYJAIGPQ-UHFFFAOYSA-N 0 0 186.258 2.881 10 0 AFAERN Cc1cc(-c2ccc[nH]2)ccc1N 214723245 344382776 /nfs/dbraw/zinc/38/27/76/344382776.db2.gz PFMXDNHOGDXYBQ-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Nc1cc(-c2ccc[nH]2)ccc1Cl 214701732 344382806 /nfs/dbraw/zinc/38/28/06/344382806.db2.gz MHHCAJIKIDRFBL-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN C/C(=C/CO)CCc1ccccc1 205451119 344372601 /nfs/dbraw/zinc/37/26/01/344372601.db2.gz RWYNOPXFCUWVIZ-LUAWRHEFSA-N 0 0 176.259 2.558 10 0 AFAERN CCn1c(Cl)nc2c(F)cccc21 214952204 344384494 /nfs/dbraw/zinc/38/44/94/344384494.db2.gz COEHGUFTWLLVBA-UHFFFAOYSA-N 0 0 198.628 2.849 10 0 AFAERN CC(C)[C@]1(O)CCc2c(F)cccc21 214982832 344384951 /nfs/dbraw/zinc/38/49/51/344384951.db2.gz WNEBLDLIYGNMJO-GFCCVEGCSA-N 0 0 194.249 2.616 10 0 AFAERN CC1(C)C[C@H]1[C@@H](O)C1CCCC1 215107449 344385785 /nfs/dbraw/zinc/38/57/85/344385785.db2.gz GBDUIQIQHOUWBP-UWVGGRQHSA-N 0 0 168.280 2.584 10 0 AFAERN CC1(C)C[C@@H]1[C@H](O)C1CCCC1 215107350 344385843 /nfs/dbraw/zinc/38/58/43/344385843.db2.gz GBDUIQIQHOUWBP-NXEZZACHSA-N 0 0 168.280 2.584 10 0 AFAERN Cc1c(N)cccc1-c1ccc[nH]1 214773096 344383328 /nfs/dbraw/zinc/38/33/28/344383328.db2.gz PZHGMVRYTQIETK-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN OCCC/C=C/c1ccccc1F 217074549 344400495 /nfs/dbraw/zinc/40/04/95/344400495.db2.gz CBVIZZTXPYTQOA-QHHAFSJGSA-N 0 0 180.222 2.611 10 0 AFAERN Cc1cccc(C)c1C(F)(F)[C@H](C)N 217009845 344400522 /nfs/dbraw/zinc/40/05/22/344400522.db2.gz OFRBYVOEJMHKQI-VIFPVBQESA-N 0 0 199.244 2.742 10 0 AFAERN CCC(=O)C(C)(C)C(F)(F)F 217583096 344403520 /nfs/dbraw/zinc/40/35/20/344403520.db2.gz KXLXVNVPMTZAHE-UHFFFAOYSA-N 0 0 168.158 2.554 10 0 AFAERN C/C=C\COc1ccnc(Cl)c1 215675503 344391182 /nfs/dbraw/zinc/39/11/82/344391182.db2.gz YJXRBNFVSJIOLS-IHWYPQMZSA-N 0 0 183.638 2.690 10 0 AFAERN CC1=Cc2cc(F)cc(F)c2C1 219314585 344422637 /nfs/dbraw/zinc/42/26/37/344422637.db2.gz IMNBUTOKXLBRPF-UHFFFAOYSA-N 0 0 166.170 2.924 10 0 AFAERN CCN(CC)c1cc(C)c(N)cc1F 221755700 344445676 /nfs/dbraw/zinc/44/56/76/344445676.db2.gz AKDHIMARPKCIIP-UHFFFAOYSA-N 0 0 196.269 2.563 10 0 AFAERN CCc1cc(Cl)cnc1Cl 221729181 344445698 /nfs/dbraw/zinc/44/56/98/344445698.db2.gz GDBYSHDCCKDUOW-UHFFFAOYSA-N 0 0 176.046 2.951 10 0 AFAERN Cc1cc(C)c(C(=O)C(C)(C)C)[nH]1 221180537 344439158 /nfs/dbraw/zinc/43/91/58/344439158.db2.gz YRPSTUAPZJRQTI-UHFFFAOYSA-N 0 0 179.263 2.860 10 0 AFAERN Cc1ccc([C@@H]2CO2)cc1Cl 221604172 344445035 /nfs/dbraw/zinc/44/50/35/344445035.db2.gz NBKBSTULMHOOLD-VIFPVBQESA-N 0 0 168.623 2.720 10 0 AFAERN Fc1cccc([C@@H]2CCCO2)c1 221664341 344445036 /nfs/dbraw/zinc/44/50/36/344445036.db2.gz IMVNCROCHZSKKE-JTQLQIEISA-N 0 0 166.195 2.677 10 0 AFAERN CCC[C@@H]1CC[C@@H](O)[C@@H](C)C1 221620701 344445040 /nfs/dbraw/zinc/44/50/40/344445040.db2.gz INOPXYFZMODIBL-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN Fc1cccc([C@H]2CCCO2)c1 221664395 344445055 /nfs/dbraw/zinc/44/50/55/344445055.db2.gz IMVNCROCHZSKKE-SNVBAGLBSA-N 0 0 166.195 2.677 10 0 AFAERN Cc1ccc([C@H]2CO2)cc1Cl 221604239 344445066 /nfs/dbraw/zinc/44/50/66/344445066.db2.gz NBKBSTULMHOOLD-SECBINFHSA-N 0 0 168.623 2.720 10 0 AFAERN CC(C)c1cccc(F)c1C=O 221735538 344445638 /nfs/dbraw/zinc/44/56/38/344445638.db2.gz LWDLVOAZCAFCBC-UHFFFAOYSA-N 0 0 166.195 2.762 10 0 AFAERN CCc1nc(Cl)nc2ccsc12 220299448 344431625 /nfs/dbraw/zinc/43/16/25/344431625.db2.gz XAKIFBSUWSLQDF-UHFFFAOYSA-N 0 0 198.678 2.907 10 0 AFAERN CCc1c(F)ccc(F)c1C 222074367 344448372 /nfs/dbraw/zinc/44/83/72/344448372.db2.gz CWCXHSOHIIXJBM-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN C(=C1\CCCO1)\c1ccccc1 222265071 344450682 /nfs/dbraw/zinc/45/06/82/344450682.db2.gz UTDUSOGZBHHGFE-PKNBQFBNSA-N 0 0 160.216 2.838 10 0 AFAERN CC[C@H](O)C[C@@H]1CCC[C@@H](C)C1 222400265 344451867 /nfs/dbraw/zinc/45/18/67/344451867.db2.gz VFLTUSIAJMOZFO-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(-c2cccc(N)c2)nc1 222881083 344454840 /nfs/dbraw/zinc/45/48/40/344454840.db2.gz GVBLAEMBJXPVFT-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC[C@H](O)[C@@H]1CCCC[C@H]1CC 224029518 344465468 /nfs/dbraw/zinc/46/54/68/344465468.db2.gz XMIWUFFDIJVRMC-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1cn2cccc2c(Cl)n1 223113732 344456460 /nfs/dbraw/zinc/45/64/60/344456460.db2.gz IBQYLNBKQPFTCS-UHFFFAOYSA-N 0 0 180.638 2.550 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@@](O)(CC2CC2)C1 225524347 344483251 /nfs/dbraw/zinc/48/32/51/344483251.db2.gz RLMMYYUPRRTAFL-FOGDFJRCSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)OC(=O)[C@@H]1CC=CC[C@@H]1C 225524113 344483271 /nfs/dbraw/zinc/48/32/71/344483271.db2.gz ICIATGJZPRPISO-VHSXEESVSA-N 0 0 182.263 2.540 10 0 AFAERN Cc1ccc(F)c([C@H]2CCC(=O)O2)c1 226208625 344494968 /nfs/dbraw/zinc/49/49/68/344494968.db2.gz MRHPVLZDDFGEMF-SNVBAGLBSA-N 0 0 194.205 2.512 10 0 AFAERN CCC[C@H](C)Nc1ncnc(C)c1F 226315412 344498509 /nfs/dbraw/zinc/49/85/09/344498509.db2.gz GUEZJIXXVMGFBL-ZETCQYMHSA-N 0 0 197.257 2.525 10 0 AFAERN CCC(CC)Nc1ncnc(C)c1F 226313962 344498585 /nfs/dbraw/zinc/49/85/85/344498585.db2.gz AITUMFDBLWBVAA-UHFFFAOYSA-N 0 0 197.257 2.525 10 0 AFAERN CCC(C)(C)Nc1ncnc(C)c1F 226528534 344505584 /nfs/dbraw/zinc/50/55/84/344505584.db2.gz YBUYVBCGJSDGBZ-UHFFFAOYSA-N 0 0 197.257 2.525 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)c1cc[nH]c1 226531161 344505600 /nfs/dbraw/zinc/50/56/00/344505600.db2.gz CDTAMUQZJIWLIY-SCZZXKLOSA-N 0 0 177.247 2.634 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)c1ccc[nH]1 226531121 344505601 /nfs/dbraw/zinc/50/56/01/344505601.db2.gz HLFLOKZHKLCRLV-RKDXNWHRSA-N 0 0 177.247 2.634 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)c1ccc[nH]1 226531127 344505607 /nfs/dbraw/zinc/50/56/07/344505607.db2.gz HLFLOKZHKLCRLV-DTWKUNHWSA-N 0 0 177.247 2.634 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)c1ccco1 226530014 344505621 /nfs/dbraw/zinc/50/56/21/344505621.db2.gz JAGFJFVFEJHYHL-DTWKUNHWSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)c1ccc[nH]1 226531116 344505624 /nfs/dbraw/zinc/50/56/24/344505624.db2.gz HLFLOKZHKLCRLV-IUCAKERBSA-N 0 0 177.247 2.634 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)c1cc[nH]c1 226531166 344505636 /nfs/dbraw/zinc/50/56/36/344505636.db2.gz CDTAMUQZJIWLIY-WPRPVWTQSA-N 0 0 177.247 2.634 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)c1ccc[nH]1 226531110 344505656 /nfs/dbraw/zinc/50/56/56/344505656.db2.gz HLFLOKZHKLCRLV-BDAKNGLRSA-N 0 0 177.247 2.634 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)c1ccco1 226530000 344505657 /nfs/dbraw/zinc/50/56/57/344505657.db2.gz JAGFJFVFEJHYHL-BDAKNGLRSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)c1cc[nH]c1 226531170 344505667 /nfs/dbraw/zinc/50/56/67/344505667.db2.gz CDTAMUQZJIWLIY-PSASIEDQSA-N 0 0 177.247 2.634 10 0 AFAERN CC1(C)CCC[C@H]1[C@H](O)c1cc[nH]c1 226659538 344509581 /nfs/dbraw/zinc/50/95/81/344509581.db2.gz PDNRLHZBQZQHLV-WDEREUQCSA-N 0 0 193.290 2.874 10 0 AFAERN CC1(C)CCC[C@@H]1[C@@H](O)c1cc[nH]c1 226659523 344509602 /nfs/dbraw/zinc/50/96/02/344509602.db2.gz PDNRLHZBQZQHLV-MNOVXSKESA-N 0 0 193.290 2.874 10 0 AFAERN C[C@@H]1CCC[C@H]1c1nc(Cl)no1 226695073 344510297 /nfs/dbraw/zinc/51/02/97/344510297.db2.gz FZUYUNZYGITPDG-PHDIDXHHSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@H]1CCC[C@@H]1c1nc(Cl)no1 226695066 344510349 /nfs/dbraw/zinc/51/03/49/344510349.db2.gz FZUYUNZYGITPDG-WDSKDSINSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)c1cc[nH]c1 226531175 344505673 /nfs/dbraw/zinc/50/56/73/344505673.db2.gz CDTAMUQZJIWLIY-WCBMZHEXSA-N 0 0 177.247 2.634 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)c1ccco1 226530004 344505681 /nfs/dbraw/zinc/50/56/81/344505681.db2.gz JAGFJFVFEJHYHL-IUCAKERBSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@H](O)CS[C@H]1CCC[C@@H](C)C1 226539444 344506141 /nfs/dbraw/zinc/50/61/41/344506141.db2.gz VPQWPRDNAUWUNS-UTLUCORTSA-N 0 0 188.336 2.679 10 0 AFAERN Nc1cnc(Nc2ccsc2)s1 226746644 344512319 /nfs/dbraw/zinc/51/23/19/344512319.db2.gz JCJOHYMUIOOKFZ-UHFFFAOYSA-N 0 0 197.288 2.530 10 0 AFAERN C[C@H]1CCC[C@H]1c1csc(N)n1 226775586 344513290 /nfs/dbraw/zinc/51/32/90/344513290.db2.gz SMOUFRNBGRHXOO-NKWVEPMBSA-N 0 0 182.292 2.629 10 0 AFAERN C[C@H]1CCC[C@H]1c1nncn1C1CC1 226772639 344513301 /nfs/dbraw/zinc/51/33/01/344513301.db2.gz WMXFGHIYQDRQJW-WCBMZHEXSA-N 0 0 191.278 2.517 10 0 AFAERN C[C@H]1CCC[C@@H]1c1csc(N)n1 226775578 344513303 /nfs/dbraw/zinc/51/33/03/344513303.db2.gz SMOUFRNBGRHXOO-BQBZGAKWSA-N 0 0 182.292 2.629 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)CC1CC1 226787323 344514174 /nfs/dbraw/zinc/51/41/74/344514174.db2.gz GEHKJILUNZNGHZ-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)C[C@H](O)[C@@H]1CCC[C@@H]1C 226909994 344516896 /nfs/dbraw/zinc/51/68/96/344516896.db2.gz NNPNWABDXDPPTB-AXFHLTTASA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H](O)C=C1C[C@H](C)C[C@@H](C)C1 227175874 344524678 /nfs/dbraw/zinc/52/46/78/344524678.db2.gz GFAZWQFEZLLWLL-BBBLOLIVSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@@H](C)C(=O)c1ncc(C)cc1C 227561270 344534948 /nfs/dbraw/zinc/53/49/48/344534948.db2.gz XHXMODDUEYDIJK-SECBINFHSA-N 0 0 191.274 2.927 10 0 AFAERN Cc1sccc1[C@@H](N)C(F)(F)F 227562302 344534951 /nfs/dbraw/zinc/53/49/51/344534951.db2.gz MNIPBYHQIUKETH-ZCFIWIBFSA-N 0 0 195.209 2.619 10 0 AFAERN CCC[C@H](O)c1ncc(C)cc1C 227562680 344534955 /nfs/dbraw/zinc/53/49/55/344534955.db2.gz NEMLBYAKCVRLCX-JTQLQIEISA-N 0 0 179.263 2.532 10 0 AFAERN CC(C)(C)Sc1ccc(N)c(N)c1 227560716 344534991 /nfs/dbraw/zinc/53/49/91/344534991.db2.gz FSTUUSMYCAYNNB-UHFFFAOYSA-N 0 0 196.319 2.742 10 0 AFAERN CCC[C@@H](O)c1ncc(C)cc1C 227562674 344535012 /nfs/dbraw/zinc/53/50/12/344535012.db2.gz NEMLBYAKCVRLCX-SNVBAGLBSA-N 0 0 179.263 2.532 10 0 AFAERN Cc1cnc(C(=O)CC2CC2)c(C)c1 227560827 344535016 /nfs/dbraw/zinc/53/50/16/344535016.db2.gz XGURQFJOVVMYRR-UHFFFAOYSA-N 0 0 189.258 2.681 10 0 AFAERN CCCC(=O)c1ncc(C)cc1C 227560748 344535017 /nfs/dbraw/zinc/53/50/17/344535017.db2.gz OHDGDGMCPOOOIJ-UHFFFAOYSA-N 0 0 177.247 2.681 10 0 AFAERN CCC[C@H](C)Nc1ccnc(F)c1 227639814 344541462 /nfs/dbraw/zinc/54/14/62/344541462.db2.gz WLNLPFNXIIJXER-QMMMGPOBSA-N 0 0 182.242 2.821 10 0 AFAERN Cc1sccc1[C@H]1CC[C@@H](O)C1 227856433 344549338 /nfs/dbraw/zinc/54/93/38/344549338.db2.gz ULLNKLLLNOAMKY-DTWKUNHWSA-N 0 0 182.288 2.685 10 0 AFAERN CO[C@H](C)c1nc2cc(C)ccc2[nH]1 227934500 344551016 /nfs/dbraw/zinc/55/10/16/344551016.db2.gz SUMUWZUNMQMMSZ-MRVPVSSYSA-N 0 0 190.246 2.579 10 0 AFAERN CO[C@@H](C)c1nc2cc(C)ccc2[nH]1 227934490 344551118 /nfs/dbraw/zinc/55/11/18/344551118.db2.gz SUMUWZUNMQMMSZ-QMMMGPOBSA-N 0 0 190.246 2.579 10 0 AFAERN CC1(C)CCc2c1nc1sccn21 228004140 344554827 /nfs/dbraw/zinc/55/48/27/344554827.db2.gz GXMPBAXQOZCPEG-UHFFFAOYSA-N 0 0 192.287 2.620 10 0 AFAERN CCC(C)(C)c1nncn1C(C)C 228227031 344559248 /nfs/dbraw/zinc/55/92/48/344559248.db2.gz BHBOOQGVAUNBFY-UHFFFAOYSA-N 0 0 181.283 2.547 10 0 AFAERN CC(C)n1cnnc1-c1cccs1 228226919 344559252 /nfs/dbraw/zinc/55/92/52/344559252.db2.gz CPMBCGUVNSZKND-UHFFFAOYSA-N 0 0 193.275 2.588 10 0 AFAERN C[C@@H](Nc1ccccc1F)C(F)F 228481011 344562472 /nfs/dbraw/zinc/56/24/72/344562472.db2.gz DPTLGRYIDULWAE-ZCFIWIBFSA-N 0 0 189.180 2.891 10 0 AFAERN C[C@H](Nc1ccccc1F)C(F)F 228481014 344562473 /nfs/dbraw/zinc/56/24/73/344562473.db2.gz DPTLGRYIDULWAE-LURJTMIESA-N 0 0 189.180 2.891 10 0 AFAERN C[C@@H](Nc1ccc(F)cc1)C(F)F 228480894 344562478 /nfs/dbraw/zinc/56/24/78/344562478.db2.gz IKTZJFRQWIQPRD-ZCFIWIBFSA-N 0 0 189.180 2.891 10 0 AFAERN C[C@H](Nc1ccccc1)C(F)F 228477361 344562482 /nfs/dbraw/zinc/56/24/82/344562482.db2.gz ZXRQNPAJUKFGHB-ZETCQYMHSA-N 0 0 171.190 2.752 10 0 AFAERN C[C@@H](Nc1ccccc1)C(F)F 228477354 344562492 /nfs/dbraw/zinc/56/24/92/344562492.db2.gz ZXRQNPAJUKFGHB-SSDOTTSWSA-N 0 0 171.190 2.752 10 0 AFAERN C[C@@H]1CCC[C@H]([C@@H](NN)C(C)(C)C)C1 228726481 344567173 /nfs/dbraw/zinc/56/71/73/344567173.db2.gz GQEVWLVSJDOESD-OUAUKWLOSA-N 0 0 198.354 2.691 10 0 AFAERN CCCc1cn2c(C)csc2n1 228005555 344554404 /nfs/dbraw/zinc/55/44/04/344554404.db2.gz OHTSKDMWSNRRRA-UHFFFAOYSA-N 0 0 180.276 2.657 10 0 AFAERN c1ccn2cc(-c3ccoc3)nc2c1 228002987 344554406 /nfs/dbraw/zinc/55/44/06/344554406.db2.gz QBGPDTOSAJDCPP-UHFFFAOYSA-N 0 0 184.198 2.594 10 0 AFAERN Cc1csc2nc(C3CC3)cn12 228004811 344554407 /nfs/dbraw/zinc/55/44/07/344554407.db2.gz QTVTXNYQLMSUSZ-UHFFFAOYSA-N 0 0 178.260 2.582 10 0 AFAERN Cc1c(C2CC2)nc2sccn12 228003375 344554408 /nfs/dbraw/zinc/55/44/08/344554408.db2.gz FINUDQWIWNCDOC-UHFFFAOYSA-N 0 0 178.260 2.582 10 0 AFAERN Cc1cc(Cl)ccc1[C@@H]1CO1 228788272 344568665 /nfs/dbraw/zinc/56/86/65/344568665.db2.gz HHTMTABPGKRBHG-VIFPVBQESA-N 0 0 168.623 2.720 10 0 AFAERN Cc1ccc(NC2(C)CC2)cc1N 228830044 344569368 /nfs/dbraw/zinc/56/93/68/344569368.db2.gz OUUKWWUENLAKMQ-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CCC(CC)Nc1cnnc(Cl)c1 229122434 344583246 /nfs/dbraw/zinc/58/32/46/344583246.db2.gz YVXDOHRVPPCVNP-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN C[C@H](O)CC[C@H]1CCC2(CCCC2)O1 229382854 344593103 /nfs/dbraw/zinc/59/31/03/344593103.db2.gz ODVWFUMBSCWBBB-QWRGUYRKSA-N 0 0 198.306 2.639 10 0 AFAERN C=Cc1cc(Cl)ccc1C=O 229395405 344593767 /nfs/dbraw/zinc/59/37/67/344593767.db2.gz OZDNEXXUWHWONG-UHFFFAOYSA-N 0 0 166.607 2.796 10 0 AFAERN CC(C)CC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 229103113 344582030 /nfs/dbraw/zinc/58/20/30/344582030.db2.gz LBPAUFIFKZXQQM-GMOBBJLQSA-N 0 0 198.306 2.661 10 0 AFAERN C=Cc1ccc(Cl)cc1C=O 229394536 344593781 /nfs/dbraw/zinc/59/37/81/344593781.db2.gz KBGONYHRPOVZMI-UHFFFAOYSA-N 0 0 166.607 2.796 10 0 AFAERN CC1([C@H](O)c2ccco2)CCCC1 229502102 344598950 /nfs/dbraw/zinc/59/89/50/344598950.db2.gz QXUMUTMMYCRWQQ-SNVBAGLBSA-N 0 0 180.247 2.893 10 0 AFAERN Nc1cc(F)cc(-c2ccco2)c1 229565190 344605222 /nfs/dbraw/zinc/60/52/22/344605222.db2.gz XGLDTKCOPXUXLG-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CC[C@@H]1CCc2sc(NC)nc21 229645711 344608562 /nfs/dbraw/zinc/60/85/62/344608562.db2.gz ASQCJANREFOXSS-ZCFIWIBFSA-N 0 0 182.292 2.625 10 0 AFAERN CC[C@H]1CCc2cc(Cl)nnc21 229663010 344609581 /nfs/dbraw/zinc/60/95/81/344609581.db2.gz DIYQCXMDBMPWDR-LURJTMIESA-N 0 0 182.654 2.570 10 0 AFAERN CC[C@@H]1CCc2cc(Cl)nnc21 229662999 344609592 /nfs/dbraw/zinc/60/95/92/344609592.db2.gz DIYQCXMDBMPWDR-ZCFIWIBFSA-N 0 0 182.654 2.570 10 0 AFAERN CC[C@@H]1CCc2c(NC(C)C)n[nH]c21 229666980 344610105 /nfs/dbraw/zinc/61/01/05/344610105.db2.gz HSUJGJXYJDBBOZ-MRVPVSSYSA-N 0 0 193.294 2.670 10 0 AFAERN CC[C@H]1CCC[C@@]1(NC)C(F)(F)F 229667403 344610114 /nfs/dbraw/zinc/61/01/14/344610114.db2.gz ZYCSWPAQSKYCRB-YUMQZZPRSA-N 0 0 195.228 2.717 10 0 AFAERN CC1([C@H](NN)C2CCCCCC2)CC1 229625651 344607724 /nfs/dbraw/zinc/60/77/24/344607724.db2.gz MEDPDGJIBVKQAM-LLVKDONJSA-N 0 0 196.338 2.589 10 0 AFAERN CC1([C@@H](NN)C2CCCCCC2)CC1 229625641 344607790 /nfs/dbraw/zinc/60/77/90/344607790.db2.gz MEDPDGJIBVKQAM-NSHDSACASA-N 0 0 196.338 2.589 10 0 AFAERN CCCn1ccc2cc(CO)ccc21 229677992 344611323 /nfs/dbraw/zinc/61/13/23/344611323.db2.gz GMOBVQONDALATG-UHFFFAOYSA-N 0 0 189.258 2.544 10 0 AFAERN CC[C@@H]1CCC[C@]1(O)C(C)(C)C 229693824 344611809 /nfs/dbraw/zinc/61/18/09/344611809.db2.gz RQIVNNHFVNIDSO-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H]1CCC[C@]1(O)C(C)(C)C 229693833 344611813 /nfs/dbraw/zinc/61/18/13/344611813.db2.gz RQIVNNHFVNIDSO-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1CCC[C@]1(O)Cc1ccco1 229698774 344612341 /nfs/dbraw/zinc/61/23/41/344612341.db2.gz HHHPIWNJFJXQIN-PWSUYJOCSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@H]1C[C@H]1Nc1ccnc(Cl)c1 229724455 344612975 /nfs/dbraw/zinc/61/29/75/344612975.db2.gz MAQLXGOXFHHVDN-POYBYMJQSA-N 0 0 182.654 2.555 10 0 AFAERN C[C@](O)(CC1CC1)c1ccsc1 229748626 344614015 /nfs/dbraw/zinc/61/40/15/344614015.db2.gz ZAHBIFRWFJWTGR-JTQLQIEISA-N 0 0 182.288 2.756 10 0 AFAERN CC[C@H]1CCc2c(NC(C)C)n[nH]c21 229666985 344610155 /nfs/dbraw/zinc/61/01/55/344610155.db2.gz HSUJGJXYJDBBOZ-QMMMGPOBSA-N 0 0 193.294 2.670 10 0 AFAERN CC[C@@H]1CCC[C@@]1(NC)C(F)(F)F 229667397 344610173 /nfs/dbraw/zinc/61/01/73/344610173.db2.gz ZYCSWPAQSKYCRB-SFYZADRCSA-N 0 0 195.228 2.717 10 0 AFAERN CC(C)CC1=C[C@@H](O)CCCC1 230172050 344628003 /nfs/dbraw/zinc/62/80/03/344628003.db2.gz TVWQTCWWLHXEGN-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)C1=C[C@H](O)CCCC1 230171286 344628086 /nfs/dbraw/zinc/62/80/86/344628086.db2.gz VVQYLMVAUMRPOQ-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN CCON[C@H]1CCC12CCCCC2 230171914 344628127 /nfs/dbraw/zinc/62/81/27/344628127.db2.gz DGLYMLVXMMTQKG-JTQLQIEISA-N 0 0 183.295 2.640 10 0 AFAERN CCON[C@@H]1CCC12CCCCC2 230171911 344628155 /nfs/dbraw/zinc/62/81/55/344628155.db2.gz DGLYMLVXMMTQKG-SNVBAGLBSA-N 0 0 183.295 2.640 10 0 AFAERN CC(C)CC1=C[C@H](O)CCCC1 230172055 344628168 /nfs/dbraw/zinc/62/81/68/344628168.db2.gz TVWQTCWWLHXEGN-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)C1=C[C@@H](O)CCCC1 230171280 344628177 /nfs/dbraw/zinc/62/81/77/344628177.db2.gz VVQYLMVAUMRPOQ-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H]1CC[C@@H](Cn2cc[nH]c2=S)C1 230436827 344636223 /nfs/dbraw/zinc/63/62/23/344636223.db2.gz HOWZKIAMQHUBJJ-RKDXNWHRSA-N 0 0 196.319 2.608 10 0 AFAERN C=COc1cc(F)ccc1C 230439140 344636486 /nfs/dbraw/zinc/63/64/86/344636486.db2.gz XURVUHXZJFJEFX-UHFFFAOYSA-N 0 0 152.168 2.656 10 0 AFAERN C[C@H]1CC[C@H](Cn2cc[nH]c2=S)C1 230436837 344636498 /nfs/dbraw/zinc/63/64/98/344636498.db2.gz HOWZKIAMQHUBJJ-IUCAKERBSA-N 0 0 196.319 2.608 10 0 AFAERN CC(C)C[C@@H]1CCC[C@@H](NO)C1 230774097 344643383 /nfs/dbraw/zinc/64/33/83/344643383.db2.gz WFXXDOHTEOJSOX-VHSXEESVSA-N 0 0 171.284 2.570 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccc(C)cn1 230905828 344644869 /nfs/dbraw/zinc/64/48/69/344644869.db2.gz IWSWVPCCEMRETE-NXEZZACHSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1c(Cl)ccc2cc(O)cnc12 230982546 344646648 /nfs/dbraw/zinc/64/66/48/344646648.db2.gz CMLLNBGZTIKQOV-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1cc2cc(O)cnc2cc1Cl 230982730 344646649 /nfs/dbraw/zinc/64/66/49/344646649.db2.gz NLDXWFYGLFCEBK-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Oc1cnc2c(Cl)cc(F)cc2c1 230982584 344646652 /nfs/dbraw/zinc/64/66/52/344646652.db2.gz ZZLKDDSSBYLPOI-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN Oc1cnc2c(F)c(Cl)ccc2c1 230982617 344646664 /nfs/dbraw/zinc/64/66/64/344646664.db2.gz CWBQVMOHGQMRED-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN CCC(C)(CC)Nc1ccnc(C)n1 230963371 344646676 /nfs/dbraw/zinc/64/66/76/344646676.db2.gz BVNZNKNDFLDPEY-UHFFFAOYSA-N 0 0 193.294 2.776 10 0 AFAERN Oc1cnc2cc(F)cc(Cl)c2c1 230982757 344646688 /nfs/dbraw/zinc/64/66/88/344646688.db2.gz WJISJZNGKDMLLF-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN C[C@H]1CCC[C@@H]1Cn1cc[nH]c1=S 230699456 344639940 /nfs/dbraw/zinc/63/99/40/344639940.db2.gz SBPQCNQJLTXHST-DTWKUNHWSA-N 0 0 196.319 2.608 10 0 AFAERN Cc1ccc(C2(O)CCC2)c(F)c1F 231723590 344658165 /nfs/dbraw/zinc/65/81/65/344658165.db2.gz CCKLQJAGNPLGES-UHFFFAOYSA-N 0 0 198.212 2.645 10 0 AFAERN Cc1ccncc1NC1CC(C)C1 231789950 344660878 /nfs/dbraw/zinc/66/08/78/344660878.db2.gz BCJKECYHNVDGFB-UHFFFAOYSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cc(N)cc(-c2ccco2)c1 232054961 344670513 /nfs/dbraw/zinc/67/05/13/344670513.db2.gz HNLYBGOIKAYLBO-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Cc1cc(-n2cccc2)c(C)cc1N 232074744 344671308 /nfs/dbraw/zinc/67/13/08/344671308.db2.gz PIHQSDJSHSTHFD-UHFFFAOYSA-N 0 0 186.258 2.676 10 0 AFAERN Cc1c(N)cccc1-c1ccoc1 232215719 344673315 /nfs/dbraw/zinc/67/33/15/344673315.db2.gz SUAZOXDQRAHMID-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CC(C)Cc1ccc(F)cc1N 232215693 344673318 /nfs/dbraw/zinc/67/33/18/344673318.db2.gz VEIJRXCXSNOXOG-UHFFFAOYSA-N 0 0 167.227 2.606 10 0 AFAERN CCNc1c(F)c(F)cc(F)c1F 232269467 344673331 /nfs/dbraw/zinc/67/33/31/344673331.db2.gz DJSCFUJEXSRHCY-UHFFFAOYSA-N 0 0 193.143 2.675 10 0 AFAERN CC[C@@H](C)c1cn2nc(C)sc2n1 232280071 344673728 /nfs/dbraw/zinc/67/37/28/344673728.db2.gz QXMORMRGUBLBCM-ZCFIWIBFSA-N 0 0 195.291 2.613 10 0 AFAERN CC[C@H](C)c1cn2nc(C)sc2n1 232280073 344673758 /nfs/dbraw/zinc/67/37/58/344673758.db2.gz QXMORMRGUBLBCM-LURJTMIESA-N 0 0 195.291 2.613 10 0 AFAERN C/C=C/CNc1c(F)cccc1F 232469792 344679441 /nfs/dbraw/zinc/67/94/41/344679441.db2.gz KOQDANVUQQZWMP-NSCUHMNNSA-N 0 0 183.201 2.953 10 0 AFAERN CC(=O)c1csc([C@@H]2CC2(C)C)n1 232488442 344680033 /nfs/dbraw/zinc/68/00/33/344680033.db2.gz BIXJKAJHMIKBQR-ZETCQYMHSA-N 0 0 195.287 2.859 10 0 AFAERN C/C=C/COc1cc(Cl)ccc1N 232474382 344680063 /nfs/dbraw/zinc/68/00/63/344680063.db2.gz VDHKZQAIGIOQRE-NSCUHMNNSA-N 0 0 197.665 2.877 10 0 AFAERN CC(C)(c1nccs1)n1cccc1 232529411 344680784 /nfs/dbraw/zinc/68/07/84/344680784.db2.gz MEZVFJMCUYMDCU-UHFFFAOYSA-N 0 0 192.287 2.728 10 0 AFAERN CC(C)C1CC(O)(C2CCCC2)C1 232541926 344681935 /nfs/dbraw/zinc/68/19/35/344681935.db2.gz PAAZQUQAMJFWQO-UHFFFAOYSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)C1CC(O)(Cc2ccoc2)C1 232542339 344681968 /nfs/dbraw/zinc/68/19/68/344681968.db2.gz OSXJVROHHBOIRX-UHFFFAOYSA-N 0 0 194.274 2.619 10 0 AFAERN CC(C)C1CC(O)(Cc2ccco2)C1 232542315 344681988 /nfs/dbraw/zinc/68/19/88/344681988.db2.gz VLHQZJGVPZOFDE-UHFFFAOYSA-N 0 0 194.274 2.619 10 0 AFAERN C=Cc1cc(F)ccc1C(C)=O 232554829 344682032 /nfs/dbraw/zinc/68/20/32/344682032.db2.gz JIWIKFIHJNZDQW-UHFFFAOYSA-N 0 0 164.179 2.671 10 0 AFAERN CC(=O)c1ccc(F)cc1C1CC1 232554811 344682035 /nfs/dbraw/zinc/68/20/35/344682035.db2.gz GJGPSYARCDKKPP-UHFFFAOYSA-N 0 0 178.206 2.906 10 0 AFAERN CC(C)(C)Oc1c(F)cccc1C=O 232555253 344682390 /nfs/dbraw/zinc/68/23/90/344682390.db2.gz DGUBQSYHMHNSRG-UHFFFAOYSA-N 0 0 196.221 2.816 10 0 AFAERN CC(C)C(=O)C1CC(C(C)C)C1 232555504 344682392 /nfs/dbraw/zinc/68/23/92/344682392.db2.gz WTZUIPQILCTADA-UHFFFAOYSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)C(=O)c1ccoc1Cl 232559015 344682823 /nfs/dbraw/zinc/68/28/23/344682823.db2.gz ZBQUPINFZMBVFR-UHFFFAOYSA-N 0 0 172.611 2.772 10 0 AFAERN CC(C)CC1(O)CC(C(C)C)C1 232560592 344682830 /nfs/dbraw/zinc/68/28/30/344682830.db2.gz URHMWBZBUDZBOQ-UHFFFAOYSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cccc(N(C)CC(C)C)c1N 232561399 344683063 /nfs/dbraw/zinc/68/30/63/344683063.db2.gz NZMKAIUWNJOLSH-UHFFFAOYSA-N 0 0 192.306 2.669 10 0 AFAERN CC(C)=C[C@@H](O)c1sc(C)nc1C 232563871 344683327 /nfs/dbraw/zinc/68/33/27/344683327.db2.gz OJKNVDHDISNARW-SECBINFHSA-N 0 0 197.303 2.760 10 0 AFAERN CC(C)C1CC(O)(C(C)(C)C)C1 232566515 344683332 /nfs/dbraw/zinc/68/33/32/344683332.db2.gz PYSBKQLEBLVAAM-UHFFFAOYSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)(C)C(=O)c1ncccc1Cl 232565159 344683374 /nfs/dbraw/zinc/68/33/74/344683374.db2.gz RXURWCXOBTXJMI-UHFFFAOYSA-N 0 0 197.665 2.964 10 0 AFAERN C=COc1ccc(C(C)=O)c(F)c1 232564239 344683414 /nfs/dbraw/zinc/68/34/14/344683414.db2.gz VRQXLMOEBCNOJV-UHFFFAOYSA-N 0 0 180.178 2.551 10 0 AFAERN CC(C)C[C@@H](C)Nc1cc(N)ns1 232597813 344685271 /nfs/dbraw/zinc/68/52/71/344685271.db2.gz CWCXIACNSJBADR-SSDOTTSWSA-N 0 0 199.323 2.572 10 0 AFAERN Cc1nc(CC(C)C)[nH]c(=S)c1C 232620151 344686088 /nfs/dbraw/zinc/68/60/88/344686088.db2.gz XNTADMWEDUVVGW-UHFFFAOYSA-N 0 0 196.319 2.581 10 0 AFAERN Cc1c(CC(C)C)n[nH]c(=S)c1C 232626010 344686249 /nfs/dbraw/zinc/68/62/49/344686249.db2.gz ZRPADQNRZSRXDK-UHFFFAOYSA-N 0 0 196.319 2.581 10 0 AFAERN Cc1cc(N(C)C(C)C)c(N)cc1F 232629982 344686278 /nfs/dbraw/zinc/68/62/78/344686278.db2.gz HBVPHBNIHRXTMQ-UHFFFAOYSA-N 0 0 196.269 2.561 10 0 AFAERN CC(C)c1c([C@@H]2CC2(C)C)noc1N 232748228 344688928 /nfs/dbraw/zinc/68/89/28/344688928.db2.gz HFUWBDDZLLLFCN-ZETCQYMHSA-N 0 0 194.278 2.894 10 0 AFAERN CC(C)c1c([C@H]2CC2(C)C)noc1N 232748305 344688996 /nfs/dbraw/zinc/68/89/96/344688996.db2.gz HFUWBDDZLLLFCN-SSDOTTSWSA-N 0 0 194.278 2.894 10 0 AFAERN CC(C)[C@@H](C)SCCCCO 232745189 344689067 /nfs/dbraw/zinc/68/90/67/344689067.db2.gz DWZLMGGVWMRWRY-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)c1nc(C2CC2)cc(=S)[nH]1 232749702 344689099 /nfs/dbraw/zinc/68/90/99/344689099.db2.gz QLJJEUGNLGYTAH-UHFFFAOYSA-N 0 0 194.303 2.766 10 0 AFAERN CC(C)[C@H](C)Sc1cccc(N)n1 232767447 344689688 /nfs/dbraw/zinc/68/96/88/344689688.db2.gz ZNZBYLXJHHOWEF-QMMMGPOBSA-N 0 0 196.319 2.800 10 0 AFAERN CC1(C)C[C@H]1C(=O)[C@@]1(C)CCCS1 232788619 344690491 /nfs/dbraw/zinc/69/04/91/344690491.db2.gz GRNCLRYYRKHNCO-GZMMTYOYSA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)C[C@@H]1C(=O)CC1CCC1 232792724 344690729 /nfs/dbraw/zinc/69/07/29/344690729.db2.gz IJEPMXYSSBETCI-SECBINFHSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)C[C@@H]1C(=O)Cc1ccsc1 232798280 344691264 /nfs/dbraw/zinc/69/12/64/344691264.db2.gz IKHHXXPSQIOHNU-SECBINFHSA-N 0 0 194.299 2.906 10 0 AFAERN CC1CC(Nc2cccnc2Cl)C1 232856455 344694783 /nfs/dbraw/zinc/69/47/83/344694783.db2.gz BZMKEBXUKRCJKS-UHFFFAOYSA-N 0 0 196.681 2.945 10 0 AFAERN CCC(CC)[C@@]1(O)CCS[C@@H]1C 232869060 344695700 /nfs/dbraw/zinc/69/57/00/344695700.db2.gz QEDJIBDWFIRILG-PSASIEDQSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1cccc(CC2(O)CC(C)C2)c1 232866799 344695712 /nfs/dbraw/zinc/69/57/12/344695712.db2.gz LDXYQPKTTHUAMO-UHFFFAOYSA-N 0 0 190.286 2.699 10 0 AFAERN CC1(C)C[C@@H]1c1nnc(Cl)s1 232865470 344695732 /nfs/dbraw/zinc/69/57/32/344695732.db2.gz YKCJJGBCVAMNNP-SCSAIBSYSA-N 0 0 188.683 2.705 10 0 AFAERN Cc1nc(C)c(C(C)C)c(=S)[nH]1 232865049 344695733 /nfs/dbraw/zinc/69/57/33/344695733.db2.gz ZMUUJQWKGYYGIN-UHFFFAOYSA-N 0 0 182.292 2.506 10 0 AFAERN Cc1cc(F)ccc1C1(O)CC(C)C1 232874234 344696271 /nfs/dbraw/zinc/69/62/71/344696271.db2.gz ZSZDLLPJEVOBOX-UHFFFAOYSA-N 0 0 194.249 2.752 10 0 AFAERN CC1(C)C[C@H]1CNc1cccc(N)c1 232935442 344697438 /nfs/dbraw/zinc/69/74/38/344697438.db2.gz OXLFYXRAZXYVRK-VIFPVBQESA-N 0 0 190.290 2.727 10 0 AFAERN CC1(C)C[C@H]1[C@@H](O)c1cccc(F)c1 233007848 344698679 /nfs/dbraw/zinc/69/86/79/344698679.db2.gz URJYZNVOIBUDAR-QWRGUYRKSA-N 0 0 194.249 2.905 10 0 AFAERN CCC[C@H](C)n1cnc(C)c1C 233343679 344701290 /nfs/dbraw/zinc/70/12/90/344701290.db2.gz CKASGQOYKUVHOJ-QMMMGPOBSA-N 0 0 166.268 2.861 10 0 AFAERN CCC[C@H]1C[C@H]1n1c(C)c[nH]c1=S 233446218 344702151 /nfs/dbraw/zinc/70/21/51/344702151.db2.gz HEMLYXLJIHGZDC-DTWKUNHWSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1ccccc1CC1(O)CC(C)C1 232867479 344695756 /nfs/dbraw/zinc/69/57/56/344695756.db2.gz AZECWIRKYNLYJT-UHFFFAOYSA-N 0 0 190.286 2.699 10 0 AFAERN CCC(CC)[C@@]1(O)CCS[C@H]1C 232869095 344696106 /nfs/dbraw/zinc/69/61/06/344696106.db2.gz QEDJIBDWFIRILG-WCBMZHEXSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ncccc1C 233921474 344707192 /nfs/dbraw/zinc/70/71/92/344707192.db2.gz VMFTWBUATDLWST-ZJUUUORDSA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@@H](C)C(=O)c1ncccc1Cl 233976792 344709356 /nfs/dbraw/zinc/70/93/56/344709356.db2.gz TZJVPOAZPNULGM-SSDOTTSWSA-N 0 0 197.665 2.964 10 0 AFAERN CC[C@@H](C)c1nc(C)cc(=S)[nH]1 233980068 344709527 /nfs/dbraw/zinc/70/95/27/344709527.db2.gz SGJRJKQRCKEGJM-ZCFIWIBFSA-N 0 0 182.292 2.587 10 0 AFAERN CC[C@H](C)C(=O)[C@H]1CC1(C)C 233998937 344709848 /nfs/dbraw/zinc/70/98/48/344709848.db2.gz BXRIJLMAZSPBJZ-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](O)c1c(C)cc(C)cc1F 234075175 344711476 /nfs/dbraw/zinc/71/14/76/344711476.db2.gz REXMZRUAZARBFL-JTQLQIEISA-N 0 0 182.238 2.886 10 0 AFAERN CC[C@H]1OCC[C@@H]1C(=O)C1CCCC1 234068147 344711483 /nfs/dbraw/zinc/71/14/83/344711483.db2.gz RXMIAQZFFIEEEV-WDEREUQCSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@H]1C[C@H]1Nc1cccc(Cl)n1 234133468 344713378 /nfs/dbraw/zinc/71/33/78/344713378.db2.gz RUXAPWQTCHDNKI-JGVFFNPUSA-N 0 0 196.681 2.945 10 0 AFAERN CCO[C@@H]1C[C@@H](n2cccc2)C1(C)C 233762969 344704373 /nfs/dbraw/zinc/70/43/73/344704373.db2.gz ZFRBADOTJYEXNZ-GHMZBOCLSA-N 0 0 193.290 2.864 10 0 AFAERN CCO[C@H]1C[C@H](n2cccc2)C1(C)C 233795446 344704376 /nfs/dbraw/zinc/70/43/76/344704376.db2.gz ZFRBADOTJYEXNZ-QWRGUYRKSA-N 0 0 193.290 2.864 10 0 AFAERN CCOc1cc(F)ccc1NC1CC1 233775846 344704407 /nfs/dbraw/zinc/70/44/07/344704407.db2.gz ZWCHBSJJUYUWRK-UHFFFAOYSA-N 0 0 195.237 2.799 10 0 AFAERN CCSc1c(F)cccc1C=O 233865589 344705176 /nfs/dbraw/zinc/70/51/76/344705176.db2.gz SNYQHZVVMJCYKL-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN CN(C)c1ccccc1-n1cccc1 234280621 344717029 /nfs/dbraw/zinc/71/70/29/344717029.db2.gz NZTPVKNRFHXOMY-UHFFFAOYSA-N 0 0 186.258 2.543 10 0 AFAERN CCc1cc(=S)[nH]c(C(C)(C)C)n1 234144722 344714030 /nfs/dbraw/zinc/71/40/30/344714030.db2.gz QDUHGQRESWDEOT-UHFFFAOYSA-N 0 0 196.319 2.625 10 0 AFAERN CCc1cc(=S)[nH]c(C2CCC2)n1 234156676 344714032 /nfs/dbraw/zinc/71/40/32/344714032.db2.gz ULFJNBLHGLUSRZ-UHFFFAOYSA-N 0 0 194.303 2.595 10 0 AFAERN COC(=O)c1cccc(C2CCC2)c1 234583016 344723232 /nfs/dbraw/zinc/72/32/32/344723232.db2.gz DKWNCAZGQHDQSD-UHFFFAOYSA-N 0 0 190.242 2.741 10 0 AFAERN COCc1csc([C@H]2CC2(C)C)n1 234721394 344725492 /nfs/dbraw/zinc/72/54/92/344725492.db2.gz FDKODKIPBYGNIK-MRVPVSSYSA-N 0 0 197.303 2.803 10 0 AFAERN COCc1ccc2c(c1)CC[C@@H](C)N2 234761130 344726699 /nfs/dbraw/zinc/72/66/99/344726699.db2.gz QOKUQXFBRLWSMF-SECBINFHSA-N 0 0 191.274 2.580 10 0 AFAERN COCc1ccc2c(c1)CC[C@H](C)N2 234761101 344726702 /nfs/dbraw/zinc/72/67/02/344726702.db2.gz QOKUQXFBRLWSMF-VIFPVBQESA-N 0 0 191.274 2.580 10 0 AFAERN Cc1ccc(C[C@@H](C)O)c(Cl)c1 235224787 344736316 /nfs/dbraw/zinc/73/63/16/344736316.db2.gz HNJHEWLEVZXGLO-MRVPVSSYSA-N 0 0 184.666 2.572 10 0 AFAERN C[C@@H]1CC(=O)c2ccc(F)c(F)c21 235265358 344738987 /nfs/dbraw/zinc/73/89/87/344738987.db2.gz FOIBIJQIBFYJHN-RXMQYKEDSA-N 0 0 182.169 2.655 10 0 AFAERN Cc1ccc2c(c1)[C@@]1(CN2)C[C@H]1C 235297432 344741750 /nfs/dbraw/zinc/74/17/50/344741750.db2.gz DSQMQYPALUVTNF-BXKDBHETSA-N 0 0 173.259 2.698 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@]1(O)c1ccoc1 235349047 344744983 /nfs/dbraw/zinc/74/49/83/344744983.db2.gz KCNFKWLEGJSESE-BXKDBHETSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@@H]1CC(C)(C)c2oc(=S)[nH]c21 235356397 344745842 /nfs/dbraw/zinc/74/58/42/344745842.db2.gz MYMVXJJFWSDBSK-RXMQYKEDSA-N 0 0 183.276 2.748 10 0 AFAERN C[C@H]1CC[C@@H](C)c2[nH]c(=S)oc21 235260052 344738424 /nfs/dbraw/zinc/73/84/24/344738424.db2.gz PSAZFRKKSXFNKN-RITPCOANSA-N 0 0 183.276 2.964 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@]1(N)C(F)(F)F 235559602 344754987 /nfs/dbraw/zinc/75/49/87/344754987.db2.gz IXCZPRGDSGKYKM-XPUUQOCRSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@H]1CC(C)(C)C[C@]1(N)C(F)(F)F 235603768 344758704 /nfs/dbraw/zinc/75/87/04/344758704.db2.gz IXCZPRGDSGKYKM-POYBYMJQSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@H]1CC(C)(C)c2oc(=S)[nH]c21 235628906 344760604 /nfs/dbraw/zinc/76/06/04/344760604.db2.gz MYMVXJJFWSDBSK-YFKPBYRVSA-N 0 0 183.276 2.748 10 0 AFAERN Cc1cc(F)ccc1NC1CC1 235742034 344765254 /nfs/dbraw/zinc/76/52/54/344765254.db2.gz YAQUDWUSCXHDQQ-UHFFFAOYSA-N 0 0 165.211 2.708 10 0 AFAERN Cc1cc(F)cc(C)c1[C@@H](O)C1CC1 235776877 344766097 /nfs/dbraw/zinc/76/60/97/344766097.db2.gz MFWLWOFWCKANCM-LBPRGKRZSA-N 0 0 194.249 2.886 10 0 AFAERN CC1=NC(=S)OC1c1ccccc1 235795836 344766824 /nfs/dbraw/zinc/76/68/24/344766824.db2.gz UVSMKAHSXHIZSP-UHFFFAOYSA-N 0 0 191.255 2.939 10 0 AFAERN Cc1cccnc1NC(C)(C)C1CC1 235789478 344766825 /nfs/dbraw/zinc/76/68/25/344766825.db2.gz LHJRBCXKRDIPSO-UHFFFAOYSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1cccnc1NC[C@H]1CC1(C)C 235790878 344766827 /nfs/dbraw/zinc/76/68/27/344766827.db2.gz PLWRUBCBPKINKN-SNVBAGLBSA-N 0 0 190.290 2.848 10 0 AFAERN Cc1ccc(C)n1[C@@]1(C)CCCOC1 235790307 344766833 /nfs/dbraw/zinc/76/68/33/344766833.db2.gz FBBJCQXVEFIJMY-LBPRGKRZSA-N 0 0 193.290 2.631 10 0 AFAERN Cc1cc(=S)[nH]c([C@@H]2CC2(C)C)n1 235830874 344768582 /nfs/dbraw/zinc/76/85/82/344768582.db2.gz RYOHIXWVJKSMOY-ZETCQYMHSA-N 0 0 194.303 2.587 10 0 AFAERN Cc1cc(=S)[nH]c([C@H]2CC2(C)C)n1 235831354 344768583 /nfs/dbraw/zinc/76/85/83/344768583.db2.gz RYOHIXWVJKSMOY-SSDOTTSWSA-N 0 0 194.303 2.587 10 0 AFAERN Cc1occc1S[C@H]1CCC(=O)C1 235844818 344768905 /nfs/dbraw/zinc/76/89/05/344768905.db2.gz BNPFYKICZYNYDE-VIFPVBQESA-N 0 0 196.271 2.802 10 0 AFAERN Cc1cc2c(cc1F)NCCS2 235843565 344768928 /nfs/dbraw/zinc/76/89/28/344768928.db2.gz BIWSQDKSNMCFMX-UHFFFAOYSA-N 0 0 183.251 2.652 10 0 AFAERN Cc1occc1S[C@@H]1CCC(=O)C1 235840769 344768940 /nfs/dbraw/zinc/76/89/40/344768940.db2.gz BNPFYKICZYNYDE-SECBINFHSA-N 0 0 196.271 2.802 10 0 AFAERN Cc1occc1S[C@H]1CCCC1=O 235844891 344768942 /nfs/dbraw/zinc/76/89/42/344768942.db2.gz JXISUNKBSQQWAX-JTQLQIEISA-N 0 0 196.271 2.802 10 0 AFAERN Cc1ncc([C@@H](O)C(C)(C)C)s1 235838094 344768955 /nfs/dbraw/zinc/76/89/55/344768955.db2.gz GCOSDGHSGUGJPZ-MRVPVSSYSA-N 0 0 185.292 2.531 10 0 AFAERN Cc1cc(NCC2CC2)c(N)cc1F 235869564 344769313 /nfs/dbraw/zinc/76/93/13/344769313.db2.gz IKBOYTYJFPKAPC-UHFFFAOYSA-N 0 0 194.253 2.538 10 0 AFAERN Cc1cc(NC2CC2)c(C)cc1O 235850951 344769314 /nfs/dbraw/zinc/76/93/14/344769314.db2.gz TXRKHEHUSKZYOJ-UHFFFAOYSA-N 0 0 177.247 2.583 10 0 AFAERN Cc1cc2c(Cl)ccnc2c(C)n1 235859756 344769319 /nfs/dbraw/zinc/76/93/19/344769319.db2.gz NZILLIIPGZNCAX-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN Cc1cc(C2=NC(=S)OC2)c(C)o1 235870295 344769332 /nfs/dbraw/zinc/76/93/32/344769332.db2.gz LGMZOHJVWVZJGT-UHFFFAOYSA-N 0 0 195.243 2.840 10 0 AFAERN Cc1ccc(C2(O)CC2)c(Cl)c1 235871345 344769335 /nfs/dbraw/zinc/76/93/35/344769335.db2.gz JHPHNWVJRYNUBN-UHFFFAOYSA-N 0 0 182.650 2.630 10 0 AFAERN Cc1cnc(-c2ccsc2)c(N)c1 235926213 344769645 /nfs/dbraw/zinc/76/96/45/344769645.db2.gz VVKPPZPVNUPDAX-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cccc2c1NC[C@@H]2C1CC1 235915766 344769648 /nfs/dbraw/zinc/76/96/48/344769648.db2.gz FDVXVOQNHWHWCZ-LLVKDONJSA-N 0 0 173.259 2.914 10 0 AFAERN Cc1cccc(NCCC2CC2)c1N 235933302 344770048 /nfs/dbraw/zinc/77/00/48/344770048.db2.gz YCBFAKGKMZRHNV-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN Cc1cccc(NC2CCC2)c1N 235930828 344770051 /nfs/dbraw/zinc/77/00/51/344770051.db2.gz AAVUNVPURBOTAC-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN Cc1cccc(N[C@H]2CC2(C)C)c1N 235928963 344770053 /nfs/dbraw/zinc/77/00/53/344770053.db2.gz YGKMFFDFIHFNQB-JTQLQIEISA-N 0 0 190.290 2.788 10 0 AFAERN Cc1cn(C(C)(C)C2CC2)c(=S)[nH]1 235936713 344770076 /nfs/dbraw/zinc/77/00/76/344770076.db2.gz UIOPBUJDOVALAM-UHFFFAOYSA-N 0 0 196.319 2.625 10 0 AFAERN Cc1cc(F)c2c(c1F)CCCN2 235927893 344770099 /nfs/dbraw/zinc/77/00/99/344770099.db2.gz MLTYRFFMROBYLT-UHFFFAOYSA-N 0 0 183.201 2.631 10 0 AFAERN Cc1cnc(Cl)c(NCC2CC2)c1 235949087 344770487 /nfs/dbraw/zinc/77/04/87/344770487.db2.gz MMHHUQJACKYADO-UHFFFAOYSA-N 0 0 196.681 2.865 10 0 AFAERN Cc1nc(C)c([C@@H](O)C2CCC2)s1 235941882 344770500 /nfs/dbraw/zinc/77/05/00/344770500.db2.gz BTUAVUVSXMVBJO-VIFPVBQESA-N 0 0 197.303 2.593 10 0 AFAERN Cc1csc([C@@H]2CC2(C)C)n1 235947055 344770501 /nfs/dbraw/zinc/77/05/01/344770501.db2.gz PMPXQLQVRZQOLX-ZETCQYMHSA-N 0 0 167.277 2.965 10 0 AFAERN Cc1nc(C)c([C@H](O)CC2CC2)s1 235949128 344770504 /nfs/dbraw/zinc/77/05/04/344770504.db2.gz GDFQJHAAXUGRQC-SECBINFHSA-N 0 0 197.303 2.593 10 0 AFAERN Cc1nc(C2CCCC2)cc(=S)[nH]1 235954289 344770515 /nfs/dbraw/zinc/77/05/15/344770515.db2.gz KEVLXCVXAQYSBB-UHFFFAOYSA-N 0 0 194.303 2.731 10 0 AFAERN Cc1sc([C@H]2CC2(C)C)nc1N 235976748 344771494 /nfs/dbraw/zinc/77/14/94/344771494.db2.gz ZZSLSXFWMXWMAP-ZCFIWIBFSA-N 0 0 182.292 2.547 10 0 AFAERN C=Cc1ccc(C=O)cc1Cl 236035933 344771795 /nfs/dbraw/zinc/77/17/95/344771795.db2.gz NSKXJITVRJCUJG-UHFFFAOYSA-N 0 0 166.607 2.796 10 0 AFAERN O=C(CC1CC1)c1ncccc1Cl 236036428 344771847 /nfs/dbraw/zinc/77/18/47/344771847.db2.gz SXKOAFLCCQPVMT-UHFFFAOYSA-N 0 0 195.649 2.718 10 0 AFAERN Cc1cc(C)c2nc[nH]c(=S)c2c1 235835361 344768545 /nfs/dbraw/zinc/76/85/45/344768545.db2.gz HGXRLWBVQXQHDX-UHFFFAOYSA-N 0 0 190.271 2.535 10 0 AFAERN Fc1cccc2c1NC[C@H]2C1CC1 236155662 344775892 /nfs/dbraw/zinc/77/58/92/344775892.db2.gz SIPVKBCYHNVPBS-VIFPVBQESA-N 0 0 177.222 2.745 10 0 AFAERN O=Cc1ccc(F)c(-c2ccc[nH]2)c1 236197732 344777363 /nfs/dbraw/zinc/77/73/63/344777363.db2.gz MEHRAUDRUUOUFV-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN N[C@H](c1ccoc1)c1ccc(Cl)o1 236331340 344782005 /nfs/dbraw/zinc/78/20/05/344782005.db2.gz ZEKUAYCTTGYDJN-SECBINFHSA-N 0 0 197.621 2.574 10 0 AFAERN S=c1[nH]c(-c2cccs2)co1 236576441 344789657 /nfs/dbraw/zinc/78/96/57/344789657.db2.gz TUFOXPIZUIZFON-UHFFFAOYSA-N 0 0 183.257 2.692 10 0 AFAERN Oc1ccc(-c2ccc[nH]2)c(F)c1 236602134 344790650 /nfs/dbraw/zinc/79/06/50/344790650.db2.gz LNJNHLNGTWDBRP-UHFFFAOYSA-N 0 0 177.178 2.526 10 0 AFAERN CC(=O)CCCNc1ccc(C)cc1 238096926 344793281 /nfs/dbraw/zinc/79/32/81/344793281.db2.gz IUROYJDBBBKVFR-UHFFFAOYSA-N 0 0 191.274 2.776 10 0 AFAERN CC(C)(C)[C@@H]([NH3+])c1ccc(Cl)nc1 238139574 344794204 /nfs/dbraw/zinc/79/42/04/344794204.db2.gz OBGBGLPYKDPGHD-VIFPVBQESA-N 0 0 198.697 2.781 10 0 AFAERN CC(C)[C@H]([NH3+])c1sccc1F 238186475 344795313 /nfs/dbraw/zinc/79/53/13/344795313.db2.gz WEETUXHRUZQVEY-ZETCQYMHSA-N 0 0 173.256 2.543 10 0 AFAERN CC[C@@H](C)Nc1cc(O)ccc1C 238298450 344799546 /nfs/dbraw/zinc/79/95/46/344799546.db2.gz JYFYKTWJVUGPTL-SECBINFHSA-N 0 0 179.263 2.911 10 0 AFAERN COc1ccc([C@@H](O)C/C=C/F)cc1 238339750 344801786 /nfs/dbraw/zinc/80/17/86/344801786.db2.gz KAJOZNGHZDBYRT-GMSVWWJUSA-N 0 0 196.221 2.602 10 0 AFAERN COc1ccc([C@H](O)C/C=C/F)cc1 238352458 344802893 /nfs/dbraw/zinc/80/28/93/344802893.db2.gz KAJOZNGHZDBYRT-WFJARSJPSA-N 0 0 196.221 2.602 10 0 AFAERN CCC(=O)C[C@H]1CC=CCC1 238201325 344795915 /nfs/dbraw/zinc/79/59/15/344795915.db2.gz GVSDSCYPHJBHKJ-VIFPVBQESA-N 0 0 152.237 2.712 10 0 AFAERN CC1=CC[C@@]2(CCCCC2=O)C1 238259942 344797738 /nfs/dbraw/zinc/79/77/38/344797738.db2.gz VJYXCDBKSPAGGI-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN CC[C@]1(CCCO)C=CCC1 238277031 344798636 /nfs/dbraw/zinc/79/86/36/344798636.db2.gz IRYLTEQIUKCHPS-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN COc1ccc2cc[nH]c2c1Cl 238375238 344803842 /nfs/dbraw/zinc/80/38/42/344803842.db2.gz BDRUOCVGMXUGKX-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN COc1cc(C)cc(OC(F)F)c1 238375499 344803870 /nfs/dbraw/zinc/80/38/70/344803870.db2.gz OEVRQURCXFKUSJ-UHFFFAOYSA-N 0 0 188.173 2.605 10 0 AFAERN COc1ccccc1-c1cccn1C 238377150 344803878 /nfs/dbraw/zinc/80/38/78/344803878.db2.gz FYANWOVAMDHKFV-UHFFFAOYSA-N 0 0 187.242 2.701 10 0 AFAERN COc1cccc(OC(F)F)c1C 238383497 344804242 /nfs/dbraw/zinc/80/42/42/344804242.db2.gz DMKWDLROANCGRC-UHFFFAOYSA-N 0 0 188.173 2.605 10 0 AFAERN Cc1cccc(Cl)c1[C@@H](C)O 238381625 344804316 /nfs/dbraw/zinc/80/43/16/344804316.db2.gz VNVMVSRTVLZSQA-SSDOTTSWSA-N 0 0 170.639 2.702 10 0 AFAERN CSc1cccc(C)c1C=O 238423618 344806161 /nfs/dbraw/zinc/80/61/61/344806161.db2.gz ZYBMPSCRTSLFTQ-UHFFFAOYSA-N 0 0 166.245 2.529 10 0 AFAERN Cc1c(CCO)ccc2ccccc12 238449083 344807184 /nfs/dbraw/zinc/80/71/84/344807184.db2.gz USHQAOVPMLMZHH-UHFFFAOYSA-N 0 0 186.254 2.683 10 0 AFAERN Cc1cc(N)ccc1C(F)F 238450487 344807186 /nfs/dbraw/zinc/80/71/86/344807186.db2.gz XMGGBZKFZFXKOY-UHFFFAOYSA-N 0 0 157.163 2.515 10 0 AFAERN Cc1ccc(C(F)F)c(N)c1 238447911 344807197 /nfs/dbraw/zinc/80/71/97/344807197.db2.gz ULSLJDYGYZEGOO-UHFFFAOYSA-N 0 0 157.163 2.515 10 0 AFAERN C[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 238447210 344807217 /nfs/dbraw/zinc/80/72/17/344807217.db2.gz RAHOWIIWWZHXET-OPRDCNLKSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccccc1C1=CC[C@H](O)CC1 238465082 344807852 /nfs/dbraw/zinc/80/78/52/344807852.db2.gz KARZBPPXMMRKCI-LBPRGKRZSA-N 0 0 188.270 2.923 10 0 AFAERN Cc1cnc2c(Cl)ccc(O)c2c1 238490250 344808901 /nfs/dbraw/zinc/80/89/01/344808901.db2.gz BHXAROFHMXXCIT-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1csc(-c2ncc(C=O)o2)c1 238504662 344809712 /nfs/dbraw/zinc/80/97/12/344809712.db2.gz ZLJUDZQLBFXGIL-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN C[C@H]1C[C@@]1(C)C(=O)c1ccccc1 238515893 344810590 /nfs/dbraw/zinc/81/05/90/344810590.db2.gz QEGYGTYWKZFWEM-JOYOIKCWSA-N 0 0 174.243 2.915 10 0 AFAERN Clc1nc(C2CC2)cc(C2CC2)n1 238517366 344810619 /nfs/dbraw/zinc/81/06/19/344810619.db2.gz HPIWHKGJGIOIIA-UHFFFAOYSA-N 0 0 194.665 2.885 10 0 AFAERN FC(F)Oc1cccc2cnccc12 238530225 344811087 /nfs/dbraw/zinc/81/10/87/344811087.db2.gz CWLUEEUCHJADCX-UHFFFAOYSA-N 0 0 195.168 2.836 10 0 AFAERN Cc1cncc(C)c1OC(F)(F)F 238540726 344812140 /nfs/dbraw/zinc/81/21/40/344812140.db2.gz OECQMJJDRJAPDP-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Cc1cncc(OC(F)(F)F)c1C 238542472 344812152 /nfs/dbraw/zinc/81/21/52/344812152.db2.gz QLMFTNDVFDILAR-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN O=C1CCC[C@H]2[C@H]1[C@H]1C=C[C@@H]2CC1 238621463 344815918 /nfs/dbraw/zinc/81/59/18/344815918.db2.gz JYNUEKHIJHFMJO-DTHBNOIPSA-N 0 0 176.259 2.568 10 0 AFAERN OCCC=C1C2CC3CC(C2)CC1C3 238645548 344817065 /nfs/dbraw/zinc/81/70/65/344817065.db2.gz UIQGBCRPMQWYDW-UHFFFAOYSA-N 0 0 192.302 2.751 10 0 AFAERN O=c1ccc(C(F)F)c2[nH]cccc1-2 238713768 344821248 /nfs/dbraw/zinc/82/12/48/344821248.db2.gz BZEMRBMWDZMPAU-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=C1CCCc2c(Cl)cc(O)cc21 238717888 344821490 /nfs/dbraw/zinc/82/14/90/344821490.db2.gz HDIOEQCDXBCAFJ-UHFFFAOYSA-N 0 0 196.633 2.565 10 0 AFAERN O[C@H]1CCC2(CC2)c2ccccc21 238724139 344822018 /nfs/dbraw/zinc/82/20/18/344822018.db2.gz VRPVDPQVCMHRTP-NSHDSACASA-N 0 0 174.243 2.545 10 0 AFAERN Nc1c(Cl)ccc2c1CCCC2 238677444 344818650 /nfs/dbraw/zinc/81/86/50/344818650.db2.gz CGDJFWMLFNOGJQ-UHFFFAOYSA-N 0 0 181.666 2.801 10 0 AFAERN O=C(c1ccco1)[C@@H]1[C@H]2CCC[C@H]21 250101688 344829966 /nfs/dbraw/zinc/82/99/66/344829966.db2.gz XPTGICSYHMHYPL-MBTKJCJQSA-N 0 0 176.215 2.508 10 0 AFAERN Cc1ccc(Cl)c(Cl)c1CO 248086369 344827268 /nfs/dbraw/zinc/82/72/68/344827268.db2.gz KJCUMBWMZPJAMO-UHFFFAOYSA-N 0 0 191.057 2.794 10 0 AFAERN CCOC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 250471858 344834573 /nfs/dbraw/zinc/83/45/73/344834573.db2.gz LFMUCBCIHSRXBE-MYJAWHEDSA-N 0 0 199.294 2.557 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 250484327 344834597 /nfs/dbraw/zinc/83/45/97/344834597.db2.gz ZRPZFZCZWMSSFS-OPRDCNLKSA-N 0 0 199.294 2.557 10 0 AFAERN CCON[C@@H]1CC[C@H]2CCCC[C@H]2C1 250412500 344833443 /nfs/dbraw/zinc/83/34/43/344833443.db2.gz WMNDLVFUFWJZLG-GRYCIOLGSA-N 0 0 197.322 2.886 10 0 AFAERN O[C@H](C1=CCCC1)[C@@H]1[C@H]2CCCC[C@H]21 250940054 344843273 /nfs/dbraw/zinc/84/32/73/344843273.db2.gz ZFGBTBPYTJIBLG-MROQNXINSA-N 0 0 192.302 2.894 10 0 AFAERN CCC[C@@H]1C[C@@H](CC)CC[C@H]1O 251088747 344846560 /nfs/dbraw/zinc/84/65/60/344846560.db2.gz APCJGJRKDIPDKO-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H]1C[C@]1(O)[C@@H]1[C@H]2CCCC[C@H]21 251117605 344847473 /nfs/dbraw/zinc/84/74/73/344847473.db2.gz HJCNPZAWNOSBGX-NAWOPXAZSA-N 0 0 194.318 2.974 10 0 AFAERN Cc1ccc([C@@H]2C[C@@H](O)[C@H]2C)cc1F 251140152 344848135 /nfs/dbraw/zinc/84/81/35/344848135.db2.gz BTKTXYJCLIQYTE-MKPLZMMCSA-N 0 0 194.249 2.618 10 0 AFAERN Cc1ccc(C)c([C@@H]2C[C@H](O)[C@H]2C)c1 251136531 344848158 /nfs/dbraw/zinc/84/81/58/344848158.db2.gz AIPOFHVSYPATFE-UHTWSYAYSA-N 0 0 190.286 2.788 10 0 AFAERN Cc1ccc([C@@H]2C[C@H](O)[C@H]2C)cc1F 251140155 344848161 /nfs/dbraw/zinc/84/81/61/344848161.db2.gz BTKTXYJCLIQYTE-XRNSZHNASA-N 0 0 194.249 2.618 10 0 AFAERN CCC[C@]1(O)C[C@@H](C)CC[C@H]1C 251177117 344848524 /nfs/dbraw/zinc/84/85/24/344848524.db2.gz QVXVCGVVNUEOPH-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CCCC(=O)[C@H]1C[C@H](C)O[C@H](C)C1 251274284 344850921 /nfs/dbraw/zinc/85/09/21/344850921.db2.gz FNTXVZJTBQEGBX-ILWJIGKKSA-N 0 0 184.279 2.559 10 0 AFAERN CC[C@H](C)S[C@@H]1CCC(=O)[C@H]1C 251377570 344853356 /nfs/dbraw/zinc/85/33/56/344853356.db2.gz SGSHUZPSFHISAE-QXFUBDJGSA-N 0 0 186.320 2.886 10 0 AFAERN CC[C@@H]1CCC[C@@]2(CC1)C[C@H]2CO 251666119 344864181 /nfs/dbraw/zinc/86/41/81/344864181.db2.gz HGUWLYIKUPZCSH-GRYCIOLGSA-N 0 0 182.307 2.975 10 0 AFAERN C[NH2+][C@]1(C(F)F)[C@@H](C)CCC[C@H]1C 251664935 344864234 /nfs/dbraw/zinc/86/42/34/344864234.db2.gz GFCWJRYRTBMNDC-MBTKJCJQSA-N 0 0 191.265 2.666 10 0 AFAERN C[C@H]1CCC[C@@H](C)[C@]1(O)C(F)(F)F 251982792 344882776 /nfs/dbraw/zinc/88/27/76/344882776.db2.gz YVDULNXKFQZJMD-RNLVFQAGSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](C[C@H]2CCCO2)C1 252088456 344884016 /nfs/dbraw/zinc/88/40/16/344884016.db2.gz GUZBJTDUNGGOCW-OUAUKWLOSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@H](C)S[C@H]1CCCC[C@H]1O 252439995 344896919 /nfs/dbraw/zinc/89/69/19/344896919.db2.gz VTPGYACBVSYOLO-AEJSXWLSSA-N 0 0 188.336 2.822 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)[C@H]1c1ccccc1 252493528 344900177 /nfs/dbraw/zinc/90/01/77/344900177.db2.gz RCRZAYQYZJHAQS-DOFRTFSJSA-N 0 0 174.243 2.625 10 0 AFAERN CC[C@H](C)[C@]1(O)CCC[C@H]1C 252619378 344905486 /nfs/dbraw/zinc/90/54/86/344905486.db2.gz UDARBIRQHGEPNY-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1C[C@H]2[C@H](C[C@H]2O)c2ccccc21 252722753 344910349 /nfs/dbraw/zinc/91/03/49/344910349.db2.gz ROZGLRYOEOFMRL-WRSRJMLGSA-N 0 0 188.270 2.658 10 0 AFAERN Cc1ccc(C)n1[C@H]1CC[C@H](O)CC1 253138157 344928350 /nfs/dbraw/zinc/92/83/50/344928350.db2.gz VABNYZRZQKEDLP-HAQNSBGRSA-N 0 0 193.290 2.581 10 0 AFAERN C[C@H]1CC[C@H](n2cc[nH]c2=S)CC1 253141812 344928356 /nfs/dbraw/zinc/92/83/56/344928356.db2.gz XIBNZFNHAYSGAF-KYZUINATSA-N 0 0 196.319 2.923 10 0 AFAERN CC(C)CN1CCOc2ccccc21 259203172 344947815 /nfs/dbraw/zinc/94/78/15/344947815.db2.gz FTAMYEZRJHYMQR-UHFFFAOYSA-N 0 0 191.274 2.541 10 0 AFAERN CCCCN1CCOc2ccccc21 259467094 344949253 /nfs/dbraw/zinc/94/92/53/344949253.db2.gz XRRIXFDNSBQNCE-UHFFFAOYSA-N 0 0 191.274 2.686 10 0 AFAERN CCOC(=O)[C@@H]1CCCC2(CC2)C1 260341732 344953052 /nfs/dbraw/zinc/95/30/52/344953052.db2.gz GJSCMIAONSSXTH-SECBINFHSA-N 0 0 182.263 2.520 10 0 AFAERN Cc1ccc2c(N)ccnc2c1Cl 300827425 345003011 /nfs/dbraw/zinc/00/30/11/345003011.db2.gz BTHJPPLTOHHQAA-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCn1ccc(N[C@@H]2CCC[C@@H]2C)n1 300872686 345008081 /nfs/dbraw/zinc/00/80/81/345008081.db2.gz LDBWHCRFDAZVGP-VHSXEESVSA-N 0 0 193.294 2.504 10 0 AFAERN O[C@H](C1CCC1)[C@H]1CCC(F)(F)C1 300929081 345014243 /nfs/dbraw/zinc/01/42/43/345014243.db2.gz QTBXRGONNHYGDW-DTWKUNHWSA-N 0 0 190.233 2.583 10 0 AFAERN CNc1ccnc([C@H](C)CC(C)C)n1 300928555 345014262 /nfs/dbraw/zinc/01/42/62/345014262.db2.gz NNINQCYMUFSENI-SECBINFHSA-N 0 0 193.294 2.668 10 0 AFAERN O[C@@H](C1CCC1)[C@H]1CCC(F)(F)C1 300929086 345014293 /nfs/dbraw/zinc/01/42/93/345014293.db2.gz QTBXRGONNHYGDW-IUCAKERBSA-N 0 0 190.233 2.583 10 0 AFAERN CNc1ccnc([C@@H](C)CC(C)C)n1 300928558 345014294 /nfs/dbraw/zinc/01/42/94/345014294.db2.gz NNINQCYMUFSENI-VIFPVBQESA-N 0 0 193.294 2.668 10 0 AFAERN CNc1ccc2ccc(C)c(F)c2n1 300927159 345014310 /nfs/dbraw/zinc/01/43/10/345014310.db2.gz HVBRTBWQPITWFM-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN O[C@@H](C1CCC1)[C@@H]1CCC(F)(F)C1 300929076 345014314 /nfs/dbraw/zinc/01/43/14/345014314.db2.gz QTBXRGONNHYGDW-BDAKNGLRSA-N 0 0 190.233 2.583 10 0 AFAERN Cc1cccc(NC#N)c1Cl 300937988 345016301 /nfs/dbraw/zinc/01/63/01/345016301.db2.gz XIMCFODYQXIRHB-UHFFFAOYSA-N 0 0 166.611 2.541 10 0 AFAERN CC(C)(C)CC[C@]1(O)[C@H]2CCC[C@H]21 300957953 345018450 /nfs/dbraw/zinc/01/84/50/345018450.db2.gz YDUSYPBSZRBUNL-PEGIJTEDSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1c(CCC(C)(C)C)noc1N 300957807 345018462 /nfs/dbraw/zinc/01/84/62/345018462.db2.gz YCJYJWANRJRZAY-UHFFFAOYSA-N 0 0 182.267 2.544 10 0 AFAERN Cc1cc(C(=O)C2CCC2)oc1C 300907081 345011807 /nfs/dbraw/zinc/01/18/07/345011807.db2.gz RDOSTOTVHKZLPV-UHFFFAOYSA-N 0 0 178.231 2.879 10 0 AFAERN C[C@H]1CC=C(c2cnc(N)s2)CC1 306151520 345041730 /nfs/dbraw/zinc/04/17/30/345041730.db2.gz GTLVXZOECGMMBM-ZETCQYMHSA-N 0 0 194.303 2.929 10 0 AFAERN CC[C@H](NO)c1cc(C)ccc1F 306160469 345051048 /nfs/dbraw/zinc/05/10/48/345051048.db2.gz PXAUXFBNZJIDPN-JTQLQIEISA-N 0 0 183.226 2.564 10 0 AFAERN C[C@H]1CC[C@]1(O)c1c(F)cccc1F 306177874 345068296 /nfs/dbraw/zinc/06/82/96/345068296.db2.gz GQQDYLDFZKOHQV-WRWORJQWSA-N 0 0 198.212 2.582 10 0 AFAERN C[C@@H]1CC[C@]1(O)c1c(F)cccc1F 306177873 345068306 /nfs/dbraw/zinc/06/83/06/345068306.db2.gz GQQDYLDFZKOHQV-RDDDGLTNSA-N 0 0 198.212 2.582 10 0 AFAERN C[C@@H]1CC[C@@]1(O)c1c(F)cccc1F 306177872 345068443 /nfs/dbraw/zinc/06/84/43/345068443.db2.gz GQQDYLDFZKOHQV-HQJQHLMTSA-N 0 0 198.212 2.582 10 0 AFAERN C[C@H]1CC[C@@]1(O)c1c(F)cccc1F 306177871 345068473 /nfs/dbraw/zinc/06/84/73/345068473.db2.gz GQQDYLDFZKOHQV-CPCISQLKSA-N 0 0 198.212 2.582 10 0 AFAERN Cc1ccc(Cl)c(C[C@H]2CO2)c1 306182190 345073501 /nfs/dbraw/zinc/07/35/01/345073501.db2.gz WROWQSUGESFTFM-VIFPVBQESA-N 0 0 182.650 2.590 10 0 AFAERN Cc1ccc(N[C@@H]2CC[C@@H](F)C2)nc1 306185397 345075806 /nfs/dbraw/zinc/07/58/06/345075806.db2.gz ABVOOZYBCQJQLO-NXEZZACHSA-N 0 0 194.253 2.693 10 0 AFAERN C[C@H]1[C@H](C)C[C@H]1Nc1cccnc1 306191534 345081212 /nfs/dbraw/zinc/08/12/12/345081212.db2.gz RGYWMZKJGFYNQX-WCABBAIRSA-N 0 0 176.263 2.538 10 0 AFAERN CCc1ccc([C@H]2CCC[N@@H+]2C)o1 306206202 345095300 /nfs/dbraw/zinc/09/53/00/345095300.db2.gz PYQZLCOQZFZPPO-SNVBAGLBSA-N 0 0 179.263 2.609 10 0 AFAERN C[C@@H](O)C(=O)CC1CCC(C)(C)CC1 306207532 345097159 /nfs/dbraw/zinc/09/71/59/345097159.db2.gz CSJIRHWVMGKSGM-SECBINFHSA-N 0 0 198.306 2.543 10 0 AFAERN C[C@@H]1CC[C@]1(O)Cc1ccccc1F 306221867 345114828 /nfs/dbraw/zinc/11/48/28/345114828.db2.gz JSRBAXCQNVMEIY-SKDRFNHKSA-N 0 0 194.249 2.529 10 0 AFAERN C[C@@H]1CC[C@@]1(O)Cc1ccccc1F 306221864 345114872 /nfs/dbraw/zinc/11/48/72/345114872.db2.gz JSRBAXCQNVMEIY-BXKDBHETSA-N 0 0 194.249 2.529 10 0 AFAERN C[C@H]1CC[C@@]1(O)Cc1ccccc1F 306221866 345114885 /nfs/dbraw/zinc/11/48/85/345114885.db2.gz JSRBAXCQNVMEIY-JOYOIKCWSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@H](C)Cn1ccc(Cl)n1 306222165 345114888 /nfs/dbraw/zinc/11/48/88/345114888.db2.gz QNUSKGCGZXNMCE-ZETCQYMHSA-N 0 0 172.659 2.583 10 0 AFAERN CCN(C)c1cccc(NC(C)C)c1 306208371 345097704 /nfs/dbraw/zinc/09/77/04/345097704.db2.gz BLLFGBSMIQARKQ-UHFFFAOYSA-N 0 0 192.306 2.963 10 0 AFAERN CC(C)C[C@H](C)C1(O)CCCC1 306235452 345128525 /nfs/dbraw/zinc/12/85/25/345128525.db2.gz KIUKWXVCNWIQKN-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN CCNc1c(N)ccc(Cl)c1C 306243372 345135639 /nfs/dbraw/zinc/13/56/39/345135639.db2.gz WZFUFTVKSCAHPV-UHFFFAOYSA-N 0 0 184.670 2.662 10 0 AFAERN C[C@H]1CCCC[C@@]1(O)c1cscn1 306247796 345139254 /nfs/dbraw/zinc/13/92/54/345139254.db2.gz WPMZHYICZPJRKE-WPRPVWTQSA-N 0 0 197.303 2.541 10 0 AFAERN Cc1ccncc1N[C@@H]1CC[C@H]1C 306262826 345153093 /nfs/dbraw/zinc/15/30/93/345153093.db2.gz XXTODGRVOIKQPX-PSASIEDQSA-N 0 0 176.263 2.600 10 0 AFAERN CC(C)=C[C@H](O)[C@H](C)C(C)(C)C 306264096 345154288 /nfs/dbraw/zinc/15/42/88/345154288.db2.gz ZTHUCZWPOMEIAW-UWVGGRQHSA-N 0 0 170.296 2.996 10 0 AFAERN CC(C)=C[C@@H](O)[C@@H](C)C(C)(C)C 306264095 345154322 /nfs/dbraw/zinc/15/43/22/345154322.db2.gz ZTHUCZWPOMEIAW-NXEZZACHSA-N 0 0 170.296 2.996 10 0 AFAERN CC(C)=C[C@@H](O)[C@H](C)C(C)(C)C 306264097 345154324 /nfs/dbraw/zinc/15/43/24/345154324.db2.gz ZTHUCZWPOMEIAW-VHSXEESVSA-N 0 0 170.296 2.996 10 0 AFAERN CC(C)[C@H]1CC[C@@H]1Nc1ccccn1 306251278 345143007 /nfs/dbraw/zinc/14/30/07/345143007.db2.gz SVXQZZPDIRYTMJ-MNOVXSKESA-N 0 0 190.290 2.928 10 0 AFAERN Cc1cc(SC(C)C)nc(C)n1 306251327 345143127 /nfs/dbraw/zinc/14/31/27/345143127.db2.gz TUHRBKFFRGXOKT-UHFFFAOYSA-N 0 0 182.292 2.594 10 0 AFAERN CCNc1nc(C(C)(C)F)cs1 306273135 345160939 /nfs/dbraw/zinc/16/09/39/345160939.db2.gz YSXMBNHXUJXSIK-UHFFFAOYSA-N 0 0 188.271 2.780 10 0 AFAERN Cc1ccccc1NCc1cocn1 306273751 345161401 /nfs/dbraw/zinc/16/14/01/345161401.db2.gz CCFLTIHJHFLXHO-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1coc(N[C@@H]2CC[C@H](C)C2)n1 306294887 345176059 /nfs/dbraw/zinc/17/60/59/345176059.db2.gz WKHLPGLBQWDATK-IONNQARKSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1cc(F)ccc1NC1CSC1 306299766 345180521 /nfs/dbraw/zinc/18/05/21/345180521.db2.gz FEEKQUOSWSYNTD-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN CNc1nc(C2CCC2)c(C)s1 306395972 345258292 /nfs/dbraw/zinc/25/82/92/345258292.db2.gz HMOLWUJWJPQLNB-UHFFFAOYSA-N 0 0 182.292 2.761 10 0 AFAERN Nc1cccc(-n2cccc2)c1Cl 306409907 345269198 /nfs/dbraw/zinc/26/91/98/345269198.db2.gz KEBLXLFNAGMKIA-UHFFFAOYSA-N 0 0 192.649 2.713 10 0 AFAERN C[C@H]1C[C@@H]1c1csc(NC2CC2)n1 306384580 345249774 /nfs/dbraw/zinc/24/97/74/345249774.db2.gz WOHXBOFLPZWCSW-XPUUQOCRSA-N 0 0 194.303 2.841 10 0 AFAERN CC(C)(C)Nc1ncccc1Cl 306386102 345250824 /nfs/dbraw/zinc/25/08/24/345250824.db2.gz ISXRXKJEWGDQSL-UHFFFAOYSA-N 0 0 184.670 2.945 10 0 AFAERN CCc1ccccc1C1(O)CCC1 306426736 345284130 /nfs/dbraw/zinc/28/41/30/345284130.db2.gz WGBXFYCAOBFADH-UHFFFAOYSA-N 0 0 176.259 2.621 10 0 AFAERN CC(C)CN1CCCC[C@H]1C(F)F 306427026 345284251 /nfs/dbraw/zinc/28/42/51/345284251.db2.gz KOKDIZKIVHHIGA-VIFPVBQESA-N 0 0 191.265 2.762 10 0 AFAERN C[C@H](CC1CCCC1)N1CC(F)C1 306437594 345298202 /nfs/dbraw/zinc/29/82/02/345298202.db2.gz LWBBEEUCDYDFJT-SECBINFHSA-N 0 0 185.286 2.609 10 0 AFAERN CC1(C[C@H](O)C(F)(F)Cl)CCC1 306446619 345306380 /nfs/dbraw/zinc/30/63/80/345306380.db2.gz BONQTLBSBMUTMF-LURJTMIESA-N 0 0 198.640 2.759 10 0 AFAERN Cc1cc(-c2cscn2)ccc1O 306457611 345317474 /nfs/dbraw/zinc/31/74/74/345317474.db2.gz VVWVIQPHOCNJAW-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CC(C)[C@@H](C)Sc1nncs1 306462355 345322291 /nfs/dbraw/zinc/32/22/91/345322291.db2.gz HHCYWZOGVKNZKY-ZCFIWIBFSA-N 0 0 188.321 2.675 10 0 AFAERN C[C@@H]1C[C@@H]1[C@](C)(O)C1=CCCCC1 306463805 345324124 /nfs/dbraw/zinc/32/41/24/345324124.db2.gz BYOVNKNHUFMDPJ-ADEWGFFLSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@@H](NO)c1ccccc1Cl 306465188 345325568 /nfs/dbraw/zinc/32/55/68/345325568.db2.gz INKBXBOJUCIIOH-SECBINFHSA-N 0 0 185.654 2.770 10 0 AFAERN C[C@H](c1cccnc1Cl)N1CCC1 306465510 345326270 /nfs/dbraw/zinc/32/62/70/345326270.db2.gz DWKPKZIBKDSSST-MRVPVSSYSA-N 0 0 196.681 2.502 10 0 AFAERN C[C@H]1C[C@@H]1Nc1csc(Cl)n1 306468765 345330440 /nfs/dbraw/zinc/33/04/40/345330440.db2.gz SUIPKAPMRXMABK-WHFBIAKZSA-N 0 0 188.683 2.617 10 0 AFAERN CC(C)CSCC(F)F 306471886 345335153 /nfs/dbraw/zinc/33/51/53/345335153.db2.gz BTYNTNNWSYQNKE-UHFFFAOYSA-N 0 0 154.225 2.641 10 0 AFAERN CC[C@H](NO)c1ccc(C)c(F)c1 306472852 345336945 /nfs/dbraw/zinc/33/69/45/345336945.db2.gz TVXMUDNNKIHLDB-JTQLQIEISA-N 0 0 183.226 2.564 10 0 AFAERN CC[C@@H](Nc1nncs1)C1CCC1 306487108 345357150 /nfs/dbraw/zinc/35/71/50/345357150.db2.gz IOLQPJXLNSAASV-MRVPVSSYSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@](O)(c1ccoc1)C1CCC1 306495201 345368859 /nfs/dbraw/zinc/36/88/59/345368859.db2.gz VGHGLODZVWDRPN-LLVKDONJSA-N 0 0 180.247 2.677 10 0 AFAERN Clc1ccsc1-c1cn[nH]c1 306500246 345374095 /nfs/dbraw/zinc/37/40/95/345374095.db2.gz XMRZUBRTZDXJAM-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN FCCCNc1cccc(Cl)n1 306515838 345386955 /nfs/dbraw/zinc/38/69/55/345386955.db2.gz ACXIKSLETBAVCP-UHFFFAOYSA-N 0 0 188.633 2.507 10 0 AFAERN Cc1ccsc1[C@@]1(O)CC[C@@H]1C 306519091 345390590 /nfs/dbraw/zinc/39/05/90/345390590.db2.gz BYZRZDIIWVGDLW-WCBMZHEXSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@H](NO)c1ccccc1Cl 306529568 345400862 /nfs/dbraw/zinc/40/08/62/345400862.db2.gz INKBXBOJUCIIOH-VIFPVBQESA-N 0 0 185.654 2.770 10 0 AFAERN CC1(C[C@H](O)C2CC2)CCCC1 306535580 345408440 /nfs/dbraw/zinc/40/84/40/345408440.db2.gz PTGVIUGJRFRRSU-JTQLQIEISA-N 0 0 168.280 2.728 10 0 AFAERN CCOc1cccc(Cl)c1C(C)=O 306529899 345401538 /nfs/dbraw/zinc/40/15/38/345401538.db2.gz IVBGQFCQFSTPCL-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CC[C@@H]1CC[C@@H]1Nc1ccc(O)cc1 306549967 345425396 /nfs/dbraw/zinc/42/53/96/345425396.db2.gz YYLDJQOXUNNWHJ-SKDRFNHKSA-N 0 0 191.274 2.993 10 0 AFAERN O=Cc1cnc(CC2CCCC2)s1 306551561 345426933 /nfs/dbraw/zinc/42/69/33/345426933.db2.gz FTXGRKZLHQFYJK-UHFFFAOYSA-N 0 0 195.287 2.688 10 0 AFAERN Cc1ccnc(N[C@H]2C[C@@H]3C[C@@H]3C2)c1 306560061 345436391 /nfs/dbraw/zinc/43/63/91/345436391.db2.gz AXCGEAXFHJAGMX-JGPRNRPPSA-N 0 0 188.274 2.600 10 0 AFAERN CCc1c(F)cc(F)c(F)c1OC 306561715 345437679 /nfs/dbraw/zinc/43/76/79/345437679.db2.gz NPENWCWUVUBYCE-UHFFFAOYSA-N 0 0 190.164 2.675 10 0 AFAERN Cc1cc(C(=O)C2(C)CC2)cnc1C 306562239 345438194 /nfs/dbraw/zinc/43/81/94/345438194.db2.gz OEUCIIHJPIFDHQ-UHFFFAOYSA-N 0 0 189.258 2.681 10 0 AFAERN CC1(C)C[C@@H]1[C@@](C)(O)c1ccco1 306571264 345448592 /nfs/dbraw/zinc/44/85/92/345448592.db2.gz FWMDEPSQTCWIHU-GZMMTYOYSA-N 0 0 180.247 2.533 10 0 AFAERN CC1(C)C[C@H]1[C@@](C)(O)c1ccco1 306571282 345448595 /nfs/dbraw/zinc/44/85/95/345448595.db2.gz FWMDEPSQTCWIHU-LDYMZIIASA-N 0 0 180.247 2.533 10 0 AFAERN Cc1cc(C)n(CC2=CCCC2)n1 306571811 345449117 /nfs/dbraw/zinc/44/91/17/345449117.db2.gz HCJCJPLJWPYQPN-UHFFFAOYSA-N 0 0 176.263 2.610 10 0 AFAERN CC1(C)C[C@H]1c1ccnc(Cl)n1 306573342 345450197 /nfs/dbraw/zinc/45/01/97/345450197.db2.gz HLHKAVIBRDPYQT-LURJTMIESA-N 0 0 182.654 2.644 10 0 AFAERN CC1(C)C[C@@H]1c1ccnc(Cl)n1 306573343 345450320 /nfs/dbraw/zinc/45/03/20/345450320.db2.gz HLHKAVIBRDPYQT-ZCFIWIBFSA-N 0 0 182.654 2.644 10 0 AFAERN CCC1(C(=O)C2CCC2)CC1 306563079 345438858 /nfs/dbraw/zinc/43/88/58/345438858.db2.gz UYHOOJYVAXOJIQ-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CC1(C)C[C@@H]1[C@@](C)(O)Cc1ccoc1 306577698 345455364 /nfs/dbraw/zinc/45/53/64/345455364.db2.gz LKTMVKHSYLDHJT-JQWIXIFHSA-N 0 0 194.274 2.619 10 0 AFAERN CC1(C)C[C@H]1[C@](C)(O)Cc1ccoc1 306577700 345455367 /nfs/dbraw/zinc/45/53/67/345455367.db2.gz LKTMVKHSYLDHJT-ZYHUDNBSSA-N 0 0 194.274 2.619 10 0 AFAERN CC[C@]1(C)C[C@H]1Nc1cccc(C)n1 306578603 345455792 /nfs/dbraw/zinc/45/57/92/345455792.db2.gz MLFKPAKXMKHIQN-ZYHUDNBSSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1csc([C@H](N)c2ccco2)c1 306594227 345471486 /nfs/dbraw/zinc/47/14/86/345471486.db2.gz FCSNYRSJDZQYAG-SNVBAGLBSA-N 0 0 193.271 2.698 10 0 AFAERN CC1(C)C[C@H]1c1cscc1N 306595601 345472541 /nfs/dbraw/zinc/47/25/41/345472541.db2.gz YBFVALIPGMJEEA-ZETCQYMHSA-N 0 0 167.277 2.844 10 0 AFAERN CC1(C)C[C@@H]1c1cscc1N 306595599 345472557 /nfs/dbraw/zinc/47/25/57/345472557.db2.gz YBFVALIPGMJEEA-SSDOTTSWSA-N 0 0 167.277 2.844 10 0 AFAERN Cc1cccc(N[C@H]2C[C@@H]3C[C@@H]3C2)n1 306590171 345467474 /nfs/dbraw/zinc/46/74/74/345467474.db2.gz UVLRNUAEYKURNH-JGPRNRPPSA-N 0 0 188.274 2.600 10 0 AFAERN Cc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)cn1 306615548 345488604 /nfs/dbraw/zinc/48/86/04/345488604.db2.gz NRAOMKYSPHCPKX-PTOFAABTSA-N 0 0 190.290 2.846 10 0 AFAERN CC[C@@]1(C)C[C@H]1n1c(C)nnc1Cl 306615709 345489236 /nfs/dbraw/zinc/48/92/36/345489236.db2.gz PKPJKDWUBXYJKX-APPZFPTMSA-N 0 0 199.685 2.601 10 0 AFAERN CC[C@]1(C)C[C@@H]1n1c(C)nnc1Cl 306615711 345489246 /nfs/dbraw/zinc/48/92/46/345489246.db2.gz PKPJKDWUBXYJKX-IONNQARKSA-N 0 0 199.685 2.601 10 0 AFAERN CC[C@@]1(C)C[C@@H]1n1c(C)nnc1Cl 306615710 345489270 /nfs/dbraw/zinc/48/92/70/345489270.db2.gz PKPJKDWUBXYJKX-CBAPKCEASA-N 0 0 199.685 2.601 10 0 AFAERN CC[C@]1(C)C[C@H]1n1c(C)nnc1Cl 306615712 345489293 /nfs/dbraw/zinc/48/92/93/345489293.db2.gz PKPJKDWUBXYJKX-VXNVDRBHSA-N 0 0 199.685 2.601 10 0 AFAERN CC[C@H]1CC[C@@H](C)N1CC(F)(F)F 306616842 345490568 /nfs/dbraw/zinc/49/05/68/345490568.db2.gz PSGOQSWSJCOZSK-SFYZADRCSA-N 0 0 195.228 2.812 10 0 AFAERN Cc1cc(OC(F)F)cc(F)c1F 306629987 345500255 /nfs/dbraw/zinc/50/02/55/345500255.db2.gz FATSTKQIBKNWGR-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN Cc1coc(N[C@H]2CCCC[C@@H]2C)n1 306630641 345500769 /nfs/dbraw/zinc/50/07/69/345500769.db2.gz CTQMRBYHHWXDQZ-WPRPVWTQSA-N 0 0 194.278 2.974 10 0 AFAERN CCc1c[nH]c(=S)n1[C@H]1CC[C@H]1C 306634809 345503285 /nfs/dbraw/zinc/50/32/85/345503285.db2.gz XAWVUKXLATYOCD-APPZFPTMSA-N 0 0 196.319 2.705 10 0 AFAERN CC[C@@H]1C[C@@H]1CNc1ncccc1F 306640102 345508808 /nfs/dbraw/zinc/50/88/08/345508808.db2.gz OVYQSROJXYXPLH-RKDXNWHRSA-N 0 0 194.253 2.679 10 0 AFAERN C/C=C(/C)C(=O)O[C@@H]1C=CCCC1 306646697 345515601 /nfs/dbraw/zinc/51/56/01/345515601.db2.gz DBUGDHGZBRWTGB-KSXVILFYSA-N 0 0 180.247 2.605 10 0 AFAERN CC(C)[C@H](C)[C@@]1(O)C=CCCC1 306675844 345537974 /nfs/dbraw/zinc/53/79/74/345537974.db2.gz UNHHHBKKHZNUMQ-WDEREUQCSA-N 0 0 168.280 2.750 10 0 AFAERN CCC(=O)Cc1csc(Cl)c1 306731397 345580441 /nfs/dbraw/zinc/58/04/41/345580441.db2.gz QSJFZTAYRCWDGF-UHFFFAOYSA-N 0 0 188.679 2.923 10 0 AFAERN CSCc1nnc(C(C)=C(C)C)o1 306734831 345582593 /nfs/dbraw/zinc/58/25/93/345582593.db2.gz VHUSGTPBJYBDJH-UHFFFAOYSA-N 0 0 198.291 2.746 10 0 AFAERN Cc1cc([C@]2(O)C[C@@H](C)[C@H]2C)cs1 306734941 345582597 /nfs/dbraw/zinc/58/25/97/345582597.db2.gz VJRHNTPLUWUADM-ZOFUNIGCSA-N 0 0 196.315 2.920 10 0 AFAERN CC1(Nc2c(N)cccc2F)CCC1 306738969 345585854 /nfs/dbraw/zinc/58/58/54/345585854.db2.gz BAMFVJWQTZUNOX-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN CC[C@@]1(C)C[NH2+][C@@H]1c1ccoc1C 306759537 345596093 /nfs/dbraw/zinc/59/60/93/345596093.db2.gz WOJIADLTXJSTTR-MNOVXSKESA-N 0 0 179.263 2.649 10 0 AFAERN O=Cc1c(C(F)F)ccc(F)c1F 306783688 345611222 /nfs/dbraw/zinc/61/12/22/345611222.db2.gz LIDRRGGHQDZAAJ-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN COc1ccc(F)c(F)c1C(F)F 306799860 345622849 /nfs/dbraw/zinc/62/28/49/345622849.db2.gz HACHYCGDQFEXPI-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN Cc1cocc1[C@]1(O)CCCC[C@@H]1C 306806734 345626905 /nfs/dbraw/zinc/62/69/05/345626905.db2.gz KRYVAELENKPKFU-JQWIXIFHSA-N 0 0 194.274 2.986 10 0 AFAERN Cc1cocc1[C@@H](O)C1CCCC1 306812486 345630908 /nfs/dbraw/zinc/63/09/08/345630908.db2.gz ZKYLKAUDJNHJNM-NSHDSACASA-N 0 0 180.247 2.812 10 0 AFAERN Cc1cocc1[C@H](O)C1CCCC1 306812485 345630931 /nfs/dbraw/zinc/63/09/31/345630931.db2.gz ZKYLKAUDJNHJNM-LLVKDONJSA-N 0 0 180.247 2.812 10 0 AFAERN COc1cc(C)c(C)c(C(C)=O)c1 306813040 345631297 /nfs/dbraw/zinc/63/12/97/345631297.db2.gz ABRFOXLTTLTUSZ-UHFFFAOYSA-N 0 0 178.231 2.515 10 0 AFAERN Cc1ccc(NCC2(C)CCC2)cn1 306785751 345613362 /nfs/dbraw/zinc/61/33/62/345613362.db2.gz OJRLZCQFLDIFCZ-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)c2cscn2)C1 306815846 345632971 /nfs/dbraw/zinc/63/29/71/345632971.db2.gz BCJJBAGMXGNOQU-SFYZADRCSA-N 0 0 195.287 2.762 10 0 AFAERN CC(C)(C)C[C@]1(C)CC(=O)CCO1 306818781 345633705 /nfs/dbraw/zinc/63/37/05/345633705.db2.gz CGHCROWPIFUWGJ-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]1(O)c1ccc[nH]1 306824494 345638872 /nfs/dbraw/zinc/63/88/72/345638872.db2.gz ULARAGRKQPDUJZ-SKDRFNHKSA-N 0 0 193.290 2.658 10 0 AFAERN Cc1cocc1C(=O)[C@@H]1CCCS1 306853566 345658671 /nfs/dbraw/zinc/65/86/71/345658671.db2.gz UBFXNXMTEDAFKB-VIFPVBQESA-N 0 0 196.271 2.666 10 0 AFAERN Cc1ccnc(CSC(C)(C)C)n1 306879290 345676177 /nfs/dbraw/zinc/67/61/77/345676177.db2.gz JKRMYACVSVOLKC-UHFFFAOYSA-N 0 0 196.319 2.817 10 0 AFAERN C[C@H](Nc1nccs1)C(F)(F)F 306892493 345688333 /nfs/dbraw/zinc/68/83/33/345688333.db2.gz HEBPKGQRNNJKGP-BYPYZUCNSA-N 0 0 196.197 2.506 10 0 AFAERN Cc1cocc1-c1ccccc1N 306899033 345690975 /nfs/dbraw/zinc/69/09/75/345690975.db2.gz YXJYUFNAANQCHZ-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CC[C@@H](NO)c1ccc(F)c(C)c1 306929951 345704058 /nfs/dbraw/zinc/70/40/58/345704058.db2.gz BEXVVWIRFHOUDD-SNVBAGLBSA-N 0 0 183.226 2.564 10 0 AFAERN CC(C)(C)CNc1ccccc1O 306950510 345714920 /nfs/dbraw/zinc/71/49/20/345714920.db2.gz ZGAMRGOWIOGPTG-UHFFFAOYSA-N 0 0 179.263 2.850 10 0 AFAERN CC(C)C1(Nc2nccs2)CC1 306974842 345728517 /nfs/dbraw/zinc/72/85/17/345728517.db2.gz MWHVLDPKWBVWDL-UHFFFAOYSA-N 0 0 182.292 2.744 10 0 AFAERN CCCc1cc(C)c(N)cc1F 306974764 345728641 /nfs/dbraw/zinc/72/86/41/345728641.db2.gz MPVQANYAOZZVGM-UHFFFAOYSA-N 0 0 167.227 2.669 10 0 AFAERN O[C@]1(C2CCC2)CCCC12CCC2 306977305 345730069 /nfs/dbraw/zinc/73/00/69/345730069.db2.gz AOTZKPJCNAMHRJ-LBPRGKRZSA-N 0 0 180.291 2.872 10 0 AFAERN CC[C@H](F)CNc1ccc(F)cc1 306977201 345730095 /nfs/dbraw/zinc/73/00/95/345730095.db2.gz AOTYYLXAJIBSSM-QMMMGPOBSA-N 0 0 185.217 2.986 10 0 AFAERN CC1(c2nccnc2Cl)CCCC1 307003067 345745382 /nfs/dbraw/zinc/74/53/82/345745382.db2.gz IQTRQUAWLHDRJT-UHFFFAOYSA-N 0 0 196.681 2.962 10 0 AFAERN CC1(C)CCC(CC(N)=S)CC1 307002879 345745391 /nfs/dbraw/zinc/74/53/91/345745391.db2.gz CPIOXZVDKXKIOO-UHFFFAOYSA-N 0 0 185.336 2.879 10 0 AFAERN CC[C@@H]1CCCc2cnc(Cl)nc21 307031854 345767224 /nfs/dbraw/zinc/76/72/24/345767224.db2.gz FVETVYVTQNWCQR-SSDOTTSWSA-N 0 0 196.681 2.960 10 0 AFAERN Cc1nc(C(=O)[C@H]2CC2(C)C)cs1 307033977 345767914 /nfs/dbraw/zinc/76/79/14/345767914.db2.gz MHKRSRLBEOXMQR-SSDOTTSWSA-N 0 0 195.287 2.680 10 0 AFAERN C[C@H](Nc1ccccn1)C(C)(F)F 307034485 345768427 /nfs/dbraw/zinc/76/84/27/345768427.db2.gz MUQWQEHVEAXYGT-ZETCQYMHSA-N 0 0 186.205 2.537 10 0 AFAERN CC(C)(C)C(C)(C)[C@@H](O)C1CC1 307042965 345774107 /nfs/dbraw/zinc/77/41/07/345774107.db2.gz SRYJKCQFIANDIT-VIFPVBQESA-N 0 0 170.296 2.830 10 0 AFAERN Fc1cncc(C(F)(F)F)c1Cl 307042975 345774114 /nfs/dbraw/zinc/77/41/14/345774114.db2.gz SUEHPWOZJCYXKN-UHFFFAOYSA-N 0 0 199.534 2.893 10 0 AFAERN CC(C)(C)C(C)(C)[C@H](O)C1CC1 307042964 345774115 /nfs/dbraw/zinc/77/41/15/345774115.db2.gz SRYJKCQFIANDIT-SECBINFHSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc([C@]2(O)CC[C@@H]3C[C@@H]32)cc1 307044658 345775634 /nfs/dbraw/zinc/77/56/34/345775634.db2.gz ULVURGJLVVYOQQ-KGYLQXTDSA-N 0 0 188.270 2.613 10 0 AFAERN CCc1cnc(N[C@@H]2C[C@H]2C)s1 307081135 345798832 /nfs/dbraw/zinc/79/88/32/345798832.db2.gz SQKUDEMATRXJMI-HTRCEHHLSA-N 0 0 182.292 2.526 10 0 AFAERN Cc1ccc(O)cc1-c1ccsn1 307107362 345813775 /nfs/dbraw/zinc/81/37/75/345813775.db2.gz FNABYYZNBFUAIK-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Oc1ccc(-c2ccsn2)c(F)c1 307132032 345828651 /nfs/dbraw/zinc/82/86/51/345828651.db2.gz VBPZLANHRRUCAR-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN FCCNc1nccc2ccsc12 307159252 345851176 /nfs/dbraw/zinc/85/11/76/345851176.db2.gz UIIPHGZTTVGPQT-UHFFFAOYSA-N 0 0 196.250 2.678 10 0 AFAERN CC(C)C(O)(c1ccsn1)C(C)C 307161644 345853919 /nfs/dbraw/zinc/85/39/19/345853919.db2.gz XEBASRFHHOZWEC-UHFFFAOYSA-N 0 0 199.319 2.643 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H]([NH3+])c2ccsn2)C1 307184600 345873030 /nfs/dbraw/zinc/87/30/30/345873030.db2.gz FJOVOZFQLZEOEV-MRTMQBJTSA-N 0 0 196.319 2.579 10 0 AFAERN C[C@@H]1CC[C@@H]([C@@H]([NH3+])c2ccsn2)C1 307184601 345873075 /nfs/dbraw/zinc/87/30/75/345873075.db2.gz FJOVOZFQLZEOEV-NQMVMOMDSA-N 0 0 196.319 2.579 10 0 AFAERN C[C@@H]1CC[C@H]([C@H]([NH3+])c2ccsn2)C1 307184602 345873085 /nfs/dbraw/zinc/87/30/85/345873085.db2.gz FJOVOZFQLZEOEV-WEDXCCLWSA-N 0 0 196.319 2.579 10 0 AFAERN Cc1c[nH]c(=S)n1C1CC(C)(C)C1 307220398 345900041 /nfs/dbraw/zinc/90/00/41/345900041.db2.gz HTCJBKIKZOQNIP-UHFFFAOYSA-N 0 0 196.319 2.841 10 0 AFAERN C[C@@H]1O[C@H](C)C[C@@H]1Nc1ccsc1 307254983 345926748 /nfs/dbraw/zinc/92/67/48/345926748.db2.gz YYQOPZSZAVPZAF-WEDXCCLWSA-N 0 0 197.303 2.726 10 0 AFAERN C[C@@H]1C[C@@H](Nc2ccsc2)[C@@H](C)O1 307254982 345926866 /nfs/dbraw/zinc/92/68/66/345926866.db2.gz YYQOPZSZAVPZAF-NQMVMOMDSA-N 0 0 197.303 2.726 10 0 AFAERN Cc1cc(OC(F)F)cc(C)c1O 307273765 345939802 /nfs/dbraw/zinc/93/98/02/345939802.db2.gz KOGGHNXMFUYXFI-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN CC(C)[C@@H](C)[C@@H](O)c1ccc(F)cn1 307297144 345954162 /nfs/dbraw/zinc/95/41/62/345954162.db2.gz RTZXPMCKPOLOFM-LDYMZIIASA-N 0 0 197.253 2.546 10 0 AFAERN c1cc2c(cc1OC1CC1)CCCO2 307293793 345951817 /nfs/dbraw/zinc/95/18/17/345951817.db2.gz OTZCQYUPDXHPOE-UHFFFAOYSA-N 0 0 190.242 2.553 10 0 AFAERN c1cc(N[C@H]2CC[C@H]3C[C@H]32)cs1 307309359 345961692 /nfs/dbraw/zinc/96/16/92/345961692.db2.gz HWWBAFDJBOJPEX-SFGNSQDASA-N 0 0 179.288 2.959 10 0 AFAERN c1cc(N[C@@H]2CC[C@H]3C[C@H]32)cs1 307309358 345961714 /nfs/dbraw/zinc/96/17/14/345961714.db2.gz HWWBAFDJBOJPEX-FXBDTBDDSA-N 0 0 179.288 2.959 10 0 AFAERN c1cc(N[C@@H]2CC[C@@H]3C[C@@H]32)cs1 307309357 345961759 /nfs/dbraw/zinc/96/17/59/345961759.db2.gz HWWBAFDJBOJPEX-FKTZTGRPSA-N 0 0 179.288 2.959 10 0 AFAERN CC(C)[C@@H](C)[C@H](O)c1ccc(F)cn1 307297141 345954203 /nfs/dbraw/zinc/95/42/03/345954203.db2.gz RTZXPMCKPOLOFM-KCJUWKMLSA-N 0 0 197.253 2.546 10 0 AFAERN CN(c1nc(C2CC2)cs1)C1CC1 307312895 345964399 /nfs/dbraw/zinc/96/43/99/345964399.db2.gz GXVAHBDKUHRKCD-UHFFFAOYSA-N 0 0 194.303 2.619 10 0 AFAERN Cc1cc(C[C@H](O)C2CCC2)cs1 307314265 345965036 /nfs/dbraw/zinc/96/50/36/345965036.db2.gz ICCNBEGSBOLJJL-NSHDSACASA-N 0 0 196.315 2.760 10 0 AFAERN C[C@H]1[C@H](C)C[C@H]1NC(=O)OC(C)(C)C 307314375 345965050 /nfs/dbraw/zinc/96/50/50/345965050.db2.gz HSFUKCAWZCYTQW-HRDYMLBCSA-N 0 0 199.294 2.556 10 0 AFAERN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C 307314377 345965059 /nfs/dbraw/zinc/96/50/59/345965059.db2.gz HSFUKCAWZCYTQW-IWSPIJDZSA-N 0 0 199.294 2.556 10 0 AFAERN Cc1cc(C[C@@H](O)C2CCC2)cs1 307314263 345965072 /nfs/dbraw/zinc/96/50/72/345965072.db2.gz ICCNBEGSBOLJJL-LLVKDONJSA-N 0 0 196.315 2.760 10 0 AFAERN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C 307314374 345965106 /nfs/dbraw/zinc/96/51/06/345965106.db2.gz HSFUKCAWZCYTQW-HLTSFMKQSA-N 0 0 199.294 2.556 10 0 AFAERN CC[C@@]1(C)C[C@H]1n1cc[nH]c1=S 307313952 345965112 /nfs/dbraw/zinc/96/51/12/345965112.db2.gz HQCHAJWBRBRNRJ-APPZFPTMSA-N 0 0 182.292 2.533 10 0 AFAERN CC[C@]1(C)C[C@H]1n1cc[nH]c1=S 307313955 345965124 /nfs/dbraw/zinc/96/51/24/345965124.db2.gz HQCHAJWBRBRNRJ-VXNVDRBHSA-N 0 0 182.292 2.533 10 0 AFAERN C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C 307314378 345965129 /nfs/dbraw/zinc/96/51/29/345965129.db2.gz HSFUKCAWZCYTQW-VGMNWLOBSA-N 0 0 199.294 2.556 10 0 AFAERN C[C@H](O)c1cnc(CC2CCC2)s1 307315117 345965544 /nfs/dbraw/zinc/96/55/44/345965544.db2.gz LWBUHFNQDWQSGO-ZETCQYMHSA-N 0 0 197.303 2.539 10 0 AFAERN CCOc1cc(F)cc(C)c1F 307309718 345962403 /nfs/dbraw/zinc/96/24/03/345962403.db2.gz PQJHKVYRMSDRLK-UHFFFAOYSA-N 0 0 172.174 2.672 10 0 AFAERN CCOc1c(C)ccc(F)c1C 307328306 345974327 /nfs/dbraw/zinc/97/43/27/345974327.db2.gz KFTJMPJAYBVBTP-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN C/C=C/CNc1cccc(C)c1N 307335966 345979208 /nfs/dbraw/zinc/97/92/08/345979208.db2.gz NGKHTFLJHIASNC-ONEGZZNKSA-N 0 0 176.263 2.565 10 0 AFAERN Cc1ccc(-c2cscn2)c(N)c1 307362884 345995559 /nfs/dbraw/zinc/99/55/59/345995559.db2.gz GVPKGSJRCFEIHY-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(C)[C@@]1(C)C[C@@H]1n1cnnc1Cl 307373323 346001854 /nfs/dbraw/zinc/00/18/54/346001854.db2.gz RTPUJUHVTYTZRL-IONNQARKSA-N 0 0 199.685 2.539 10 0 AFAERN C[C@@H]1CCC[C@H]1c1nc(N)cs1 307351223 345988008 /nfs/dbraw/zinc/98/80/08/345988008.db2.gz QBUMJAJPONDMMQ-RNFRBKRXSA-N 0 0 182.292 2.629 10 0 AFAERN CCc1nc2c(s1)[C@@H](C)O[C@H](C)C2 307353173 345989448 /nfs/dbraw/zinc/98/94/48/345989448.db2.gz OBSSDAWBRMWUIP-RNFRBKRXSA-N 0 0 197.303 2.728 10 0 AFAERN CC(=O)c1c(F)cc(F)cc1Cl 307356139 345991347 /nfs/dbraw/zinc/99/13/47/345991347.db2.gz XMSZZRSAAMAWSJ-UHFFFAOYSA-N 0 0 190.576 2.821 10 0 AFAERN CC1(C)CCC([C@@H](O)C(F)F)CC1 307385534 346008715 /nfs/dbraw/zinc/00/87/15/346008715.db2.gz ILXYIVOXZXQJMZ-MRVPVSSYSA-N 0 0 192.249 2.829 10 0 AFAERN CC(=O)c1nc([C@H]2C[C@H]2C)sc1C 307389883 346011677 /nfs/dbraw/zinc/01/16/77/346011677.db2.gz ACYSITXCKJWBON-XRGYYRRGSA-N 0 0 195.287 2.778 10 0 AFAERN CCOc1ccc(C)c(F)c1C 307390812 346011693 /nfs/dbraw/zinc/01/16/93/346011693.db2.gz UIRVOJKWNKSLQB-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN CC(=O)c1nc([C@@H]2C[C@@H]2C)sc1C 307389884 346011697 /nfs/dbraw/zinc/01/16/97/346011697.db2.gz ACYSITXCKJWBON-YLWLKBPMSA-N 0 0 195.287 2.778 10 0 AFAERN CC(=O)c1nc([C@H]2C[C@@H]2C)sc1C 307389882 346011728 /nfs/dbraw/zinc/01/17/28/346011728.db2.gz ACYSITXCKJWBON-XNCJUZBTSA-N 0 0 195.287 2.778 10 0 AFAERN CCc1nc([C@@H](O)C=C(C)C)cs1 307392569 346013102 /nfs/dbraw/zinc/01/31/02/346013102.db2.gz YZEHTLGTJCEWJM-VIFPVBQESA-N 0 0 197.303 2.705 10 0 AFAERN Cc1c[nH]c(N(C)[C@@H](C)C(C)(C)C)n1 307406327 346023211 /nfs/dbraw/zinc/02/32/11/346023211.db2.gz FIRBVPCNRUKBTD-VIFPVBQESA-N 0 0 195.310 2.589 10 0 AFAERN CCCN(C)c1cc(C)c(N)cc1F 307434407 346038153 /nfs/dbraw/zinc/03/81/53/346038153.db2.gz MBYCYDSSBIAIHO-UHFFFAOYSA-N 0 0 196.269 2.563 10 0 AFAERN CCOC(=O)c1cc(F)cc(C)c1C 307452878 346048920 /nfs/dbraw/zinc/04/89/20/346048920.db2.gz YAVXNZVRNLNCSA-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN Cc1ccc(C(=O)[C@@]2(C)C[C@H]2F)o1 307453229 346049455 /nfs/dbraw/zinc/04/94/55/346049455.db2.gz RWCXBZAJDUYYRJ-SCZZXKLOSA-N 0 0 182.194 2.519 10 0 AFAERN CCC1(Nc2ncccc2F)CC1 307498952 346075885 /nfs/dbraw/zinc/07/58/85/346075885.db2.gz GZBUBMJNEYEEQA-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN C[C@@H]([C@@H](O)C1=CCCCO1)C(C)(C)C 307498827 346076087 /nfs/dbraw/zinc/07/60/87/346076087.db2.gz KZMYYSKDWWELPF-GXSJLCMTSA-N 0 0 198.306 2.724 10 0 AFAERN CCC[C@@H](C)[C@]1(O)CCC1(C)C 307517794 346087223 /nfs/dbraw/zinc/08/72/23/346087223.db2.gz JQCQWLWQALDQJD-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](C)[C@]1(O)CCC1(C)C 307517792 346087227 /nfs/dbraw/zinc/08/72/27/346087227.db2.gz JQCQWLWQALDQJD-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(N)c(OCC2CC2)cc1F 307532367 346095196 /nfs/dbraw/zinc/09/51/96/346095196.db2.gz YQXUNVBVRJJJON-UHFFFAOYSA-N 0 0 195.237 2.505 10 0 AFAERN Nc1cc(F)cc(-c2ccns2)c1 307536455 346098058 /nfs/dbraw/zinc/09/80/58/346098058.db2.gz IRIWSMVXNBOVLV-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN O=Cc1c(F)cc(C(F)F)cc1F 307535920 346098063 /nfs/dbraw/zinc/09/80/63/346098063.db2.gz SJLLHTUGZSZUJI-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN CC[C@@H]1C[C@]1(O)[C@H]1CC2CCC1CC2 307518329 346087806 /nfs/dbraw/zinc/08/78/06/346087806.db2.gz KZFRMIGNZZELMC-UDSBESMDSA-N 0 0 194.318 2.974 10 0 AFAERN CCC1CC(Nc2ccc(F)nc2)C1 307520841 346089262 /nfs/dbraw/zinc/08/92/62/346089262.db2.gz YIQFTLXJPKNSHG-UHFFFAOYSA-N 0 0 194.253 2.821 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@H]2C)cnc1C 307541754 346101848 /nfs/dbraw/zinc/10/18/48/346101848.db2.gz YFTCKAUDLPNBLJ-KCJUWKMLSA-N 0 0 189.258 2.537 10 0 AFAERN Cc1cccc(NC2CSC2)c1F 307553979 346109453 /nfs/dbraw/zinc/10/94/53/346109453.db2.gz LZOKKQKWFVEMMP-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN O=C1CSC(CC2CCCCC2)=N1 307557616 346111717 /nfs/dbraw/zinc/11/17/17/346111717.db2.gz BOQVKIZBDCMHIU-UHFFFAOYSA-N 0 0 197.303 2.972 10 0 AFAERN O=Cc1ccccc1-c1ccns1 307558508 346112214 /nfs/dbraw/zinc/11/22/14/346112214.db2.gz WBONYCCHBGDDRP-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN Cc1ccnc(Cc2ccccc2)c1 5420320 207350717 /nfs/dbraw/zinc/35/07/17/207350717.db2.gz BMVGPICTSDRAIS-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN O[C@@H](CC1CCCC1)c1ccco1 54446159 207353227 /nfs/dbraw/zinc/35/32/27/207353227.db2.gz FQZWYFHAQPLGLZ-JTQLQIEISA-N 0 0 180.247 2.893 10 0 AFAERN CSC1([C@H](O)c2ccoc2)CCC1 307646259 346165692 /nfs/dbraw/zinc/16/56/92/346165692.db2.gz MRLKEHASPFAJGL-SECBINFHSA-N 0 0 198.287 2.599 10 0 AFAERN S=c1cc[nH]c(-c2ccsn2)c1 307617280 346150201 /nfs/dbraw/zinc/15/02/01/346150201.db2.gz VRPNQEFBNUOHPJ-UHFFFAOYSA-N 0 0 194.284 2.868 10 0 AFAERN CNc1nc(C(C)(C)C)c(C)s1 307621357 346152272 /nfs/dbraw/zinc/15/22/72/346152272.db2.gz BXUPRMPUJBVPLX-UHFFFAOYSA-N 0 0 184.308 2.791 10 0 AFAERN CC[C@H](C)[C@@](C)(O)c1cc(C)ns1 307653687 346167367 /nfs/dbraw/zinc/16/73/67/346167367.db2.gz QAZXURLLGNYFOO-OIBJUYFYSA-N 0 0 199.319 2.705 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)c1cc(C)ns1 307653686 346167375 /nfs/dbraw/zinc/16/73/75/346167375.db2.gz QAZXURLLGNYFOO-GMSGAONNSA-N 0 0 199.319 2.705 10 0 AFAERN Cc1ccoc1C[N@@H+]1[C@@H](C)C[C@H]1C 307659892 346169923 /nfs/dbraw/zinc/16/99/23/346169923.db2.gz CRWMFRGGGIZTMH-AOOOYVTPSA-N 0 0 179.263 2.571 10 0 AFAERN COc1cc(CF)c(F)c(F)c1F 307671029 346175085 /nfs/dbraw/zinc/17/50/85/346175085.db2.gz RKJGTDYMJHLHJH-UHFFFAOYSA-N 0 0 194.127 2.582 10 0 AFAERN CC[C@H](C)[C@H](O)c1sccc1F 307675772 346176956 /nfs/dbraw/zinc/17/69/56/346176956.db2.gz GTTKUJWHPPUXAX-XPUUQOCRSA-N 0 0 188.267 2.967 10 0 AFAERN CC[C@@H](C)[C@H](O)c1sccc1F 307675762 346176971 /nfs/dbraw/zinc/17/69/71/346176971.db2.gz GTTKUJWHPPUXAX-SVRRBLITSA-N 0 0 188.267 2.967 10 0 AFAERN CC(C)=CCNc1cccnc1C 307699038 346191157 /nfs/dbraw/zinc/19/11/57/346191157.db2.gz NXFAWRYEBDUMTB-UHFFFAOYSA-N 0 0 176.263 2.768 10 0 AFAERN CC(=O)[C@H](C)CC1=CCCC1 307706134 346194632 /nfs/dbraw/zinc/19/46/32/346194632.db2.gz WXZJWFNWRWILQO-MRVPVSSYSA-N 0 0 152.237 2.712 10 0 AFAERN CCc1cnc(NC2CCC2)s1 307709281 346196672 /nfs/dbraw/zinc/19/66/72/346196672.db2.gz LRZWHHZPUWWPKX-UHFFFAOYSA-N 0 0 182.292 2.670 10 0 AFAERN C[C@@H]1C[C@@](O)(Cc2cccs2)[C@@H]1C 307751468 346220870 /nfs/dbraw/zinc/22/08/70/346220870.db2.gz OCTMPIRNHPIHGX-FXPVBKGRSA-N 0 0 196.315 2.698 10 0 AFAERN C[C@H]1[C@H](C)C[C@]1(O)Cc1cccs1 307751471 346220882 /nfs/dbraw/zinc/22/08/82/346220882.db2.gz OCTMPIRNHPIHGX-YWVKMMECSA-N 0 0 196.315 2.698 10 0 AFAERN C[C@H](O)/C=C\c1cc(Cl)cs1 307901929 346233810 /nfs/dbraw/zinc/23/38/10/346233810.db2.gz QSDBDRMNLZQYNJ-GFNSNHMOSA-N 0 0 188.679 2.796 10 0 AFAERN CCCSCc1nccn1CC 307968867 346244522 /nfs/dbraw/zinc/24/45/22/346244522.db2.gz FMTSNAPHISCFTB-UHFFFAOYSA-N 0 0 184.308 2.546 10 0 AFAERN CCCCC[S@@](=O)CCC(C)C 307969513 346244525 /nfs/dbraw/zinc/24/45/25/346244525.db2.gz FYLSJPKUDMUWJM-GFCCVEGCSA-N 0 0 190.352 2.971 10 0 AFAERN CCCC[C@H](NO)c1cccc(O)c1 308368789 346293058 /nfs/dbraw/zinc/29/30/58/346293058.db2.gz UKCCEIHCRSKDGY-NSHDSACASA-N 0 0 195.262 2.602 10 0 AFAERN CCC[C@H](NO)c1ccccc1OC 308369958 346294174 /nfs/dbraw/zinc/29/41/74/346294174.db2.gz AUKLWIPEEPMSMQ-JTQLQIEISA-N 0 0 195.262 2.515 10 0 AFAERN CCC[C@H](NO)c1cc(F)ccc1C 308591131 346313774 /nfs/dbraw/zinc/31/37/74/346313774.db2.gz OZJQLCISWWFGLI-NSHDSACASA-N 0 0 197.253 2.954 10 0 AFAERN C/C=C\CSCc1cc(C)ncn1 308310662 346286309 /nfs/dbraw/zinc/28/63/09/346286309.db2.gz RBZHCHGPGOYRLK-ARJAWSKDSA-N 0 0 194.303 2.594 10 0 AFAERN CC[C@@H](C)CSCc1ncccn1 308314664 346286967 /nfs/dbraw/zinc/28/69/67/346286967.db2.gz UQZZTVVXUBNBQT-SECBINFHSA-N 0 0 196.319 2.756 10 0 AFAERN CC1(CC(=O)NC2CCC2)CCCC1 334591875 346355819 /nfs/dbraw/zinc/35/58/19/346355819.db2.gz WHBKQQWVKCQFPU-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CN(C(=O)CC1CC1)C1(C)CCCC1 335879069 346425833 /nfs/dbraw/zinc/42/58/33/346425833.db2.gz WGDGLRQAJDULLC-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CC1(C)CCCN1C(=O)C1CCCC1 336328333 346455415 /nfs/dbraw/zinc/45/54/15/346455415.db2.gz YHHCBVMIBWEKRM-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CC(C)[C@@H]1CCN(c2ccccn2)C1 336427293 346462434 /nfs/dbraw/zinc/46/24/34/346462434.db2.gz HKZQTOXTKJCHDK-LLVKDONJSA-N 0 0 190.290 2.564 10 0 AFAERN CC(C)[C@H]1CCN(c2ccccn2)C1 336427294 346462814 /nfs/dbraw/zinc/46/28/14/346462814.db2.gz HKZQTOXTKJCHDK-NSHDSACASA-N 0 0 190.290 2.564 10 0 AFAERN CC[C@H](C)C(=O)N[C@H](CC)C(C)C 379356888 346505820 /nfs/dbraw/zinc/50/58/20/346505820.db2.gz PSBVVAVFZBMXRY-VHSXEESVSA-N 0 0 185.311 2.583 10 0 AFAERN CCC(CC)SCc1ccn(C)n1 379378139 346510150 /nfs/dbraw/zinc/51/01/50/346510150.db2.gz ABKAVLQTVJIILX-UHFFFAOYSA-N 0 0 198.335 2.842 10 0 AFAERN CC(C)=CCSCc1ncccn1 379385411 346511999 /nfs/dbraw/zinc/51/19/99/346511999.db2.gz SUPASYBZQHLUIO-UHFFFAOYSA-N 0 0 194.303 2.676 10 0 AFAERN CCCc1noc([C@@H](C)CCC)n1 388322068 346550093 /nfs/dbraw/zinc/55/00/93/346550093.db2.gz XQLLUEVRZUGNQN-QMMMGPOBSA-N 0 0 182.267 2.926 10 0 AFAERN C/C=C\C(=O)c1cc(C)ccc1F 393550257 346578746 /nfs/dbraw/zinc/57/87/46/346578746.db2.gz PAGQKHFCHHHAAM-ARJAWSKDSA-N 0 0 178.206 2.893 10 0 AFAERN CC(=O)/C(C)=C\c1cccc(C#N)c1 393669354 346580807 /nfs/dbraw/zinc/58/08/07/346580807.db2.gz CLJQPAOBIQGLMF-TWGQIWQCSA-N 0 0 185.226 2.551 10 0 AFAERN O=C(C1CCC1)[C@@H]1CC[C@H]2C[C@H]2C1 403788348 346638925 /nfs/dbraw/zinc/63/89/25/346638925.db2.gz ZVOPRKHDKCPKJN-AXFHLTTASA-N 0 0 178.275 2.792 10 0 AFAERN O=C(C1CCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 403788351 346638936 /nfs/dbraw/zinc/63/89/36/346638936.db2.gz ZVOPRKHDKCPKJN-GMTAPVOTSA-N 0 0 178.275 2.792 10 0 AFAERN Clc1nnc([C@@H]2CC[C@@H]3C[C@@H]3C2)o1 403793128 346638947 /nfs/dbraw/zinc/63/89/47/346638947.db2.gz BTZDSFDBZJWJHN-FSDSQADBSA-N 0 0 198.653 2.627 10 0 AFAERN Cc1cnc(C)c(NCC(C)C)c1 404476487 346644820 /nfs/dbraw/zinc/64/48/20/346644820.db2.gz HIRBBXNJIHQMPW-UHFFFAOYSA-N 0 0 178.279 2.766 10 0 AFAERN Cc1cnc(C)c(NC(C)C)c1 404491646 346645447 /nfs/dbraw/zinc/64/54/47/346645447.db2.gz QIZTVPOCNKXFDB-UHFFFAOYSA-N 0 0 164.252 2.519 10 0 AFAERN Cc1cc(-c2cnsc2)ccc1O 404736480 346650375 /nfs/dbraw/zinc/65/03/75/346650375.db2.gz UMBKUSBNBSKCDA-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Clc1ccnc(-c2cnsc2)c1 404910392 346655018 /nfs/dbraw/zinc/65/50/18/346655018.db2.gz FDXWJZUVURODJR-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Cc1cc(C(=O)C2CSC2)cs1 405090045 346657048 /nfs/dbraw/zinc/65/70/48/346657048.db2.gz PMCYJIWLHCELPW-UHFFFAOYSA-N 0 0 198.312 2.602 10 0 AFAERN Cc1ccc(C(=O)C2CSC2)cc1 405080686 346657053 /nfs/dbraw/zinc/65/70/53/346657053.db2.gz LAHVEDHTZQVBED-UHFFFAOYSA-N 0 0 192.283 2.541 10 0 AFAERN O=C1CCCCC[C@@H]1[C@@H]1CCSC1 405520507 346667286 /nfs/dbraw/zinc/66/72/86/346667286.db2.gz VNHMNBZXYKFSAO-NXEZZACHSA-N 0 0 198.331 2.889 10 0 AFAERN C[C@@H]1OC[C@H](Nc2ccsc2)[C@@H]1C 405554104 346667829 /nfs/dbraw/zinc/66/78/29/346667829.db2.gz DAPCSWLJKVTMLU-WEDXCCLWSA-N 0 0 197.303 2.583 10 0 AFAERN Cc1ccccc1OC(C)C 575155022 346714641 /nfs/dbraw/zinc/71/46/41/346714641.db2.gz YCEWBENYSZWZNF-UHFFFAOYSA-N 0 0 149.213 2.615 10 0 AFAERN Cc1cccc(OCC(C)C)c1 575155033 346714644 /nfs/dbraw/zinc/71/46/44/346714644.db2.gz YWLCTYOIQXLMEZ-UHFFFAOYSA-N 0 0 163.240 2.862 10 0 AFAERN CC(C)Oc1ccc(Cl)cc1 575154965 346714647 /nfs/dbraw/zinc/71/46/47/346714647.db2.gz SVAZERDJZAWBKI-UHFFFAOYSA-N 0 0 169.631 2.791 10 0 AFAERN CCCOc1ccccc1Cl 575155040 346714653 /nfs/dbraw/zinc/71/46/53/346714653.db2.gz ZCJNCVWKHVJQNH-UHFFFAOYSA-N 0 0 169.631 2.793 10 0 AFAERN c1ccc(COC2CCCC2)cc1 575155028 346714657 /nfs/dbraw/zinc/71/46/57/346714657.db2.gz YJLKOEZYVVBBFW-UHFFFAOYSA-N 0 0 175.251 2.801 10 0 AFAERN CC1(c2ccccc2C=O)CC1 584591700 346719152 /nfs/dbraw/zinc/71/91/52/346719152.db2.gz QROMKKKKXUSSDG-UHFFFAOYSA-N 0 0 160.216 2.551 10 0 AFAERN CC[C@@H]1C=Cc2ccc(O)c(C)c2O1 584625267 346732662 /nfs/dbraw/zinc/73/26/62/346732662.db2.gz NXIFVLUJEGJAJJ-SNVBAGLBSA-N 0 0 190.242 2.885 10 0 AFAERN C[C@@H]1CCC[C@@]2(C1)OCC(C)(C)O2 584630755 346735551 /nfs/dbraw/zinc/73/55/51/346735551.db2.gz DMNILTBMZIFHBO-MWLCHTKSSA-N 0 0 184.279 2.718 10 0 AFAERN C[C@H]1C[C@@H](C)S[C@@H](C)S1 584650037 346741804 /nfs/dbraw/zinc/74/18/04/346741804.db2.gz NCICHFDJBUTJRC-KVSKUHBBSA-N 0 0 162.323 2.980 10 0 AFAERN FC(F)/C=C/c1ccc2c(c1)OCO2 584609997 346726449 /nfs/dbraw/zinc/72/64/49/346726449.db2.gz HOOLYOMSQYNCIP-DUXPYHPUSA-N 0 0 198.168 2.694 10 0 AFAERN C[C@@H]1CCCN1c1ccc(F)cc1 584613351 346728499 /nfs/dbraw/zinc/72/84/99/346728499.db2.gz DOZWHHGSDZIZHD-SECBINFHSA-N 0 0 179.238 2.814 10 0 AFAERN Fc1ccc([C@@H]2CC2(F)F)cc1 584612920 346728511 /nfs/dbraw/zinc/72/85/11/346728511.db2.gz WVZLJVUQPGTVTN-QMMMGPOBSA-N 0 0 172.149 2.948 10 0 AFAERN Cc1ccnc(C2(O)CCCCC2)c1 584613438 346728757 /nfs/dbraw/zinc/72/87/57/346728757.db2.gz JQINCRCKGNQPGJ-UHFFFAOYSA-N 0 0 191.274 2.542 10 0 AFAERN CCC[C@@H](NC(C)=O)C1CCCCC1 590466687 346780967 /nfs/dbraw/zinc/78/09/67/346780967.db2.gz PDIAXYTVYYBENK-GFCCVEGCSA-N 0 0 197.322 2.872 10 0 AFAERN CCOC(=O)[C@]1(C)CC=C(C)CC1 594919360 346855267 /nfs/dbraw/zinc/85/52/67/346855267.db2.gz YOGZHLFNEFGXON-LLVKDONJSA-N 0 0 182.263 2.686 10 0 AFAERN C[C@@H]1C[C@@H]1CSC[C@H]1CCCO1 600534162 346909604 /nfs/dbraw/zinc/90/96/04/346909604.db2.gz SIMFRKNMNBDFJL-OPRDCNLKSA-N 0 0 186.320 2.555 10 0 AFAERN C[C@@H]1C[C@@H]1CSCc1ccccn1 600578795 346911791 /nfs/dbraw/zinc/91/17/91/346911791.db2.gz MKISENBPPIMFRI-NXEZZACHSA-N 0 0 193.315 2.971 10 0 AFAERN Cc1cc(CSC[C@@H]2C[C@H]2C)on1 600622797 346913214 /nfs/dbraw/zinc/91/32/14/346913214.db2.gz VEOWKANSSSOZBF-APPZFPTMSA-N 0 0 197.303 2.872 10 0 AFAERN CC(C)(C)CCC(=O)N[C@@H]1CC1(C)C 606355985 346981625 /nfs/dbraw/zinc/98/16/25/346981625.db2.gz GTJBQOAYPAVBPX-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC(=O)N1CCCC[C@@H](C(C)(C)C)C1 616629475 347130977 /nfs/dbraw/zinc/13/09/77/347130977.db2.gz MNONVUAUCFZLLN-LLVKDONJSA-N 0 0 197.322 2.681 10 0 AFAERN CN1c2ccccc2CC[C@@H]1C(F)F 616667091 347165464 /nfs/dbraw/zinc/16/54/64/347165464.db2.gz FGDLHIKBYUKTBP-SNVBAGLBSA-N 0 0 197.228 2.703 10 0 AFAERN CC(C)N1CCc2ccccc2[C@H]1F 616678855 347167318 /nfs/dbraw/zinc/16/73/18/347167318.db2.gz NKXBBDMVRJVOOT-LBPRGKRZSA-N 0 0 193.265 2.921 10 0 AFAERN CC(C)N1c2ccccc2NC[C@H]1F 616692996 347168854 /nfs/dbraw/zinc/16/88/54/347168854.db2.gz ZTPMVBLODRXRSU-NSHDSACASA-N 0 0 194.253 2.623 10 0 AFAERN C/C=C/CNC(=O)[C@H](CC)CC(C)C 629032001 347326104 /nfs/dbraw/zinc/32/61/04/347326104.db2.gz IZWFHNWBAWRIJG-OKPNEXGHSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)[C@H](CC)CC(C)C 629032000 347326107 /nfs/dbraw/zinc/32/61/07/347326107.db2.gz IZWFHNWBAWRIJG-JPVGGKMYSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)CCCC(C)C 629032028 347326122 /nfs/dbraw/zinc/32/61/22/347326122.db2.gz JGWNDLCUALXFIK-PLNGDYQASA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@@H](CC)CC(C)C 629032003 347326128 /nfs/dbraw/zinc/32/61/28/347326128.db2.gz IZWFHNWBAWRIJG-ZRQQLDRUSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)[C@H]1CC[C@H](C)CC1 629031887 347326159 /nfs/dbraw/zinc/32/61/59/347326159.db2.gz UYDMCCZAJDJTNL-PJAPWPDISA-N 0 0 195.306 2.505 10 0 AFAERN C[C@H]1C[C@@H]1CSc1ccncc1 629160385 347335832 /nfs/dbraw/zinc/33/58/32/347335832.db2.gz QILFTTLJLJXHPR-DTWKUNHWSA-N 0 0 179.288 2.830 10 0 AFAERN CC(C)c1nccn1C[C@H]1C[C@@H]1C 629167765 347336113 /nfs/dbraw/zinc/33/61/13/347336113.db2.gz HYEAREWHFWPIME-VHSXEESVSA-N 0 0 178.279 2.663 10 0 AFAERN CCC(C)(C)c1cn(C(C)(C)C)nn1 630592016 347368579 /nfs/dbraw/zinc/36/85/79/347368579.db2.gz YUEJJMFTGKLIIV-UHFFFAOYSA-N 0 0 195.310 2.721 10 0 AFAERN Cc1cn([C@H]2C=CCCC2)c(C)n1 631013009 347374503 /nfs/dbraw/zinc/37/45/03/347374503.db2.gz BANZSAWZYYQRIS-NSHDSACASA-N 0 0 176.263 2.781 10 0 AFAERN CC(C)CC(=O)N[C@@H](C)CC1CCC1 634365598 347412536 /nfs/dbraw/zinc/41/25/36/347412536.db2.gz RTHOZGKNMYRSFC-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN CCc1c(C)nn(C23CC(C2)C3)c1C 634625535 347423589 /nfs/dbraw/zinc/42/35/89/347423589.db2.gz IRXHOSGRGPZZOC-UHFFFAOYSA-N 0 0 190.290 2.571 10 0 AFAERN C1=C(CN2OC3CCC2CC3)CCC1 640231521 347549295 /nfs/dbraw/zinc/54/92/95/347549295.db2.gz DGZAZIUDTZNYPJ-UHFFFAOYSA-N 0 0 193.290 2.655 10 0 AFAERN CC(C)=CCn1cc(C(C)(C)C)nn1 640844705 347558317 /nfs/dbraw/zinc/55/83/17/347558317.db2.gz GMLLDGMHCXKSBV-UHFFFAOYSA-N 0 0 193.294 2.542 10 0 AFAERN CC/C=C/CCn1cnc(C2CC2)n1 642332359 347593524 /nfs/dbraw/zinc/59/35/24/347593524.db2.gz GQZGIRAVCOMYEX-ONEGZZNKSA-N 0 0 191.278 2.512 10 0 AFAERN OCCCCCCCCCF 2040560 351302877 /nfs/dbraw/zinc/30/28/77/351302877.db2.gz KLHJXURNHSLXLM-UHFFFAOYSA-N 0 0 162.248 2.679 10 0 AFAERN S=c1ssnc1Cl 5510634 351344691 /nfs/dbraw/zinc/34/46/91/351344691.db2.gz ZCSCXEFLBJTIRM-UHFFFAOYSA-N 0 0 169.683 2.587 10 0 AFAERN CC(C)OP1OCC(C)(C)CO1 34450228 351440924 /nfs/dbraw/zinc/44/09/24/351440924.db2.gz ZRJIDIVCWZDNGT-UHFFFAOYSA-N 0 0 192.195 2.711 10 0 AFAERN CC(C)=CCSc1ccc(N)cn1 37191897 351464637 /nfs/dbraw/zinc/46/46/37/351464637.db2.gz QMVFIIDKUMHFFE-UHFFFAOYSA-N 0 0 194.303 2.722 10 0 AFAERN C[C@@](O)(c1ccccc1Cl)C1CC1 38078287 351478505 /nfs/dbraw/zinc/47/85/05/351478505.db2.gz IWOQAFBOQQVQJE-NSHDSACASA-N 0 0 196.677 2.958 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)Cc1ccc(F)cc1 38126377 351478709 /nfs/dbraw/zinc/47/87/09/351478709.db2.gz OWIHSITZCZWFPH-LDYMZIIASA-N 0 0 192.233 2.593 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)Cc1cccc(F)c1 38126729 351479574 /nfs/dbraw/zinc/47/95/74/351479574.db2.gz UOUQCQJVJZNLPF-KCJUWKMLSA-N 0 0 192.233 2.593 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccc(F)cc1 38126375 351479578 /nfs/dbraw/zinc/47/95/78/351479578.db2.gz OWIHSITZCZWFPH-KCJUWKMLSA-N 0 0 192.233 2.593 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)Cc1cccc(F)c1 38126731 351479590 /nfs/dbraw/zinc/47/95/90/351479590.db2.gz UOUQCQJVJZNLPF-LDYMZIIASA-N 0 0 192.233 2.593 10 0 AFAERN O[C@H](CC1CC1)C1=CCCCC1 50328790 351553441 /nfs/dbraw/zinc/55/34/41/351553441.db2.gz KVXDDMQTIFFEMY-LLVKDONJSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CCc2[nH]c(=S)sc2C1 70598302 351603904 /nfs/dbraw/zinc/60/39/04/351603904.db2.gz UHQHZKDEFNKTNV-RXMQYKEDSA-N 0 0 185.317 2.557 10 0 AFAERN C[C@@H]1C=Cc2nc3ccccc3n21 95923864 351676142 /nfs/dbraw/zinc/67/61/42/351676142.db2.gz IDHDVEJTQQWKFZ-MRVPVSSYSA-N 0 0 170.215 2.624 10 0 AFAERN c1cnc(CSC2CCCC2)nc1 307759367 352039978 /nfs/dbraw/zinc/03/99/78/352039978.db2.gz RLIUWOWCQODHDP-UHFFFAOYSA-N 0 0 194.303 2.652 10 0 AFAERN CCCCCC(=O)N(C)[C@H](C)CC 308286186 352047670 /nfs/dbraw/zinc/04/76/70/352047670.db2.gz BZRVXOQMZVPKOL-SNVBAGLBSA-N 0 0 185.311 2.824 10 0 AFAERN O=C1CC[C@H](c2cccc(Cl)c2)O1 205276709 229141538 /nfs/dbraw/zinc/14/15/38/229141538.db2.gz BXCLFOKTWQYCRY-SECBINFHSA-N 0 0 196.633 2.718 10 0 AFAERN CCC(F)(F)c1nnc(Cl)s1 575464368 352258506 /nfs/dbraw/zinc/25/85/06/352258506.db2.gz MYBJRKNYXVLEAR-UHFFFAOYSA-N 0 0 198.625 2.693 10 0 AFAERN CC[C@H](C)Nc1cncc(Cl)c1 575487703 352344843 /nfs/dbraw/zinc/34/48/43/352344843.db2.gz GSTAMQQCUMVGID-ZETCQYMHSA-N 0 0 184.670 2.945 10 0 AFAERN Cc1ncc(-c2ccc(C=O)o2)s1 575491229 352361473 /nfs/dbraw/zinc/36/14/73/352361473.db2.gz SZKRAGJTFYJGAG-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1ccc(CNc2cnsc2)o1 575493408 352372323 /nfs/dbraw/zinc/37/23/23/352372323.db2.gz GZCKYJREYPIHRJ-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN Nc1csc2c1CCC1(CC1)C2 575510664 352461569 /nfs/dbraw/zinc/46/15/69/352461569.db2.gz IXDNXRVHZHOZMP-UHFFFAOYSA-N 0 0 179.288 2.599 10 0 AFAERN O=C([C@@H]1CCCS1)[C@]12CCC[C@H]1C2 575534137 352573550 /nfs/dbraw/zinc/57/35/50/352573550.db2.gz VCZXYDXLLUGMBW-QXEWZRGKSA-N 0 0 196.315 2.641 10 0 AFAERN CC1(C)CNc2cccnc2SC1 575540178 352603078 /nfs/dbraw/zinc/60/30/78/352603078.db2.gz NHHRRDYTKIUMST-UHFFFAOYSA-N 0 0 194.303 2.625 10 0 AFAERN O=C(C1CC1)[C@H]1CCCC12CC2 575540907 352605557 /nfs/dbraw/zinc/60/55/57/352605557.db2.gz BUGCFSGRUOBHLB-SECBINFHSA-N 0 0 164.248 2.546 10 0 AFAERN Cc1ccc(C[C@H]2CO2)c(Cl)c1 575547744 352629252 /nfs/dbraw/zinc/62/92/52/352629252.db2.gz UJSILOBZSUGZQP-VIFPVBQESA-N 0 0 182.650 2.590 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)c1ccc[nH]1 575561693 352682671 /nfs/dbraw/zinc/68/26/71/352682671.db2.gz STDOVZZETVNFGE-NSHDSACASA-N 0 0 177.247 2.634 10 0 AFAERN Cc1sc([C@]2(C)CC2(C)C)nc1N 575562641 352687321 /nfs/dbraw/zinc/68/73/21/352687321.db2.gz AGWOKOVJVPXEIR-JTQLQIEISA-N 0 0 196.319 2.721 10 0 AFAERN Cc1nc(C(=O)[C@@]2(C)C[C@H]2C)cs1 575565598 352702245 /nfs/dbraw/zinc/70/22/45/352702245.db2.gz CJGCUJQGENQDGN-LDWIPMOCSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1cc([C@H](O)C(C)(C)C)c(C)[nH]1 575568041 352714663 /nfs/dbraw/zinc/71/46/63/352714663.db2.gz OTFPFCYHZUKPLE-JTQLQIEISA-N 0 0 181.279 2.711 10 0 AFAERN Cc1cocc1C(=O)[C@]1(C)C[C@@H]1C 575570679 352727036 /nfs/dbraw/zinc/72/70/36/352727036.db2.gz LJPDDOYAORCSOO-GZMMTYOYSA-N 0 0 178.231 2.817 10 0 AFAERN C[C@H]1C[C@@]1(C)CNc1ccccn1 575572673 352737255 /nfs/dbraw/zinc/73/72/55/352737255.db2.gz WMCLQMOFGJPIQD-ONGXEEELSA-N 0 0 176.263 2.540 10 0 AFAERN Cc1c[nH]c(=S)n1[C@]1(C)CC1(C)C 575575228 352750271 /nfs/dbraw/zinc/75/02/71/352750271.db2.gz FZRGIBBDOXWWPE-SNVBAGLBSA-N 0 0 196.319 2.625 10 0 AFAERN C[C@@H]1C[C@]1(C)Nc1ncccc1Cl 575578709 352768454 /nfs/dbraw/zinc/76/84/54/352768454.db2.gz IAFRTXKBXKUTKJ-XCBNKYQSSA-N 0 0 196.681 2.945 10 0 AFAERN CCc1csc(N[C@]2(C)C[C@@H]2C)n1 575579529 352772875 /nfs/dbraw/zinc/77/28/75/352772875.db2.gz MMQHRTXRRKQMJT-OIBJUYFYSA-N 0 0 196.319 2.916 10 0 AFAERN Cc1cccc(N[C@@]2(C)C[C@H]2C)n1 575580894 352779478 /nfs/dbraw/zinc/77/94/78/352779478.db2.gz ZYOYVPVEEJWPBN-KCJUWKMLSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cn(CC2CC(C)C2)c(=S)[nH]1 575587860 352814064 /nfs/dbraw/zinc/81/40/64/352814064.db2.gz HGMGIDMVGWILOO-UHFFFAOYSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1cc(C)c(C(=O)C2CCC2)[nH]1 575587900 352815137 /nfs/dbraw/zinc/81/51/37/352815137.db2.gz ODFXFGISBIACOT-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN Cc1ccc(C(=O)[C@@]2(C)C[C@H]2C)[nH]1 575590951 352829867 /nfs/dbraw/zinc/82/98/67/352829867.db2.gz RFAKAFRCAMLAPR-HQJQHLMTSA-N 0 0 177.247 2.552 10 0 AFAERN C[C@@H]1CCN1c1cccc(Cl)c1N 575592529 352839150 /nfs/dbraw/zinc/83/91/50/352839150.db2.gz VRPYNVFRBYQQIY-SSDOTTSWSA-N 0 0 196.681 2.521 10 0 AFAERN Cc1cc(F)nc(CC(C)(C)C)n1 575598171 352861732 /nfs/dbraw/zinc/86/17/32/352861732.db2.gz QWNRAXUOFXBLIG-UHFFFAOYSA-N 0 0 182.242 2.513 10 0 AFAERN COc1c(C)cc(C(F)F)cc1C#N 575643203 352870877 /nfs/dbraw/zinc/87/08/77/352870877.db2.gz MFTYSHVVPNVLCF-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C(F)F)cc(C)c1C#N 575642932 352870882 /nfs/dbraw/zinc/87/08/82/352870882.db2.gz KVPJQOSJPCXEOJ-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN CCc1cc(C)c(C(C)=O)c(C#N)c1 575643844 352871739 /nfs/dbraw/zinc/87/17/39/352871739.db2.gz COVWIVSVIABQSZ-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN COc1cc(C)c(C#N)cc1C(F)F 575643578 352871769 /nfs/dbraw/zinc/87/17/69/352871769.db2.gz RHAISXZASJDCGF-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C(F)F)c(C#N)cc1C 575643804 352871788 /nfs/dbraw/zinc/87/17/88/352871788.db2.gz UUSVPZUSCXPAQN-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN CCc1ccc(C(C)=O)c(C#N)c1C 575644454 352872814 /nfs/dbraw/zinc/87/28/14/352872814.db2.gz GUXMRJZYVRROKG-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN CCc1c(C)cc(C(C)=O)cc1C#N 575648871 352878880 /nfs/dbraw/zinc/87/88/80/352878880.db2.gz ZCJSQILIXNJMSW-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN Cc1cc(CO)cc(C(F)F)c1F 575669589 352884213 /nfs/dbraw/zinc/88/42/13/352884213.db2.gz DVJSOVIJUWRCNN-UHFFFAOYSA-N 0 0 190.164 2.564 10 0 AFAERN CCOc1c(C)cc(CC)cc1O 575694492 352886995 /nfs/dbraw/zinc/88/69/95/352886995.db2.gz DCDANCQFODJXQM-UHFFFAOYSA-N 0 0 180.247 2.662 10 0 AFAERN CCOc1c(C)ccc(CC)c1C=O 575693997 352886996 /nfs/dbraw/zinc/88/69/96/352886996.db2.gz AFPZIZJNGNRCBN-UHFFFAOYSA-N 0 0 192.258 2.769 10 0 AFAERN CCc1cc(F)c(C(C)=O)cc1F 575695672 352887261 /nfs/dbraw/zinc/88/72/61/352887261.db2.gz PHDWJQJQBXFTGD-UHFFFAOYSA-N 0 0 184.185 2.730 10 0 AFAERN CCOc1cc(F)c(C=O)cc1CC 575696855 352889002 /nfs/dbraw/zinc/88/90/02/352889002.db2.gz PUSYDKRRMPLQBC-UHFFFAOYSA-N 0 0 196.221 2.599 10 0 AFAERN CCOc1c(CC)cc(C)cc1OC 575696992 352889003 /nfs/dbraw/zinc/88/90/03/352889003.db2.gz PXIFVJVFHBTAKG-UHFFFAOYSA-N 0 0 194.274 2.965 10 0 AFAERN CCOc1cc(C)c(CC)c(O)c1 575697120 352889007 /nfs/dbraw/zinc/88/90/07/352889007.db2.gz UUSMGXRJSMBKLC-UHFFFAOYSA-N 0 0 180.247 2.662 10 0 AFAERN CCOc1cc(C=O)c(CC)cc1F 575696901 352889012 /nfs/dbraw/zinc/88/90/12/352889012.db2.gz QIGRQFVHVHXTIL-UHFFFAOYSA-N 0 0 196.221 2.599 10 0 AFAERN CCOc1cc(CC)cc(C)c1O 575697034 352889016 /nfs/dbraw/zinc/88/90/16/352889016.db2.gz RCIIOMWSFCIDOJ-UHFFFAOYSA-N 0 0 180.247 2.662 10 0 AFAERN CCOc1cc(OC)c(CC)cc1C 575697024 352889017 /nfs/dbraw/zinc/88/90/17/352889017.db2.gz QWRUUJZGEBEOQD-UHFFFAOYSA-N 0 0 194.274 2.965 10 0 AFAERN CCOc1c(F)cc(CC)cc1F 575693941 352886112 /nfs/dbraw/zinc/88/61/12/352886112.db2.gz AMVTYHNSMRCZBO-UHFFFAOYSA-N 0 0 186.201 2.926 10 0 AFAERN CC[C@H](Nc1ccccn1)C(C)C 49131196 409374222 /nfs/dbraw/zinc/37/42/22/409374222.db2.gz OFVPNGHWQFOMJT-JTQLQIEISA-N 0 0 178.279 2.928 10 0 AFAERN CC(C)[C@@]12C=C[C@@H](C)[C@@H]1C2 85644701 290745884 /nfs/dbraw/zinc/74/58/84/290745884.db2.gz GJYKUZUTZNTBEC-UTLUCORTSA-N 0 0 136.238 2.855 10 0 biogenic,in-vitro AFAERN CC/C(C)=C1/OC(=O)c2ccccc21 59586142 290745885 /nfs/dbraw/zinc/74/58/85/290745885.db2.gz QHZQHIXQULVPHW-DHZHZOJOSA-N 0 0 188.226 2.998 10 0 biogenic,in-vitro AFAERN CC(C)=CCC/C=C(\C)CO 31331784 290745888 /nfs/dbraw/zinc/74/58/88/290745888.db2.gz JSMKSZJPQZMEHN-JXMROGBWSA-N 0 0 154.253 2.671 10 0 biogenic,in-vitro AFAERN CCC/C=C/C=C/C(=O)NCC(C)C 34075172 290745930 /nfs/dbraw/zinc/74/59/30/290745930.db2.gz VZASTVPVPUAAJK-BLHCBFLLSA-N 0 0 195.306 2.671 10 0 biogenic,in-vitro AFAERN O=c1ccc2ccc3ccoc3c2o1 33903707 290747013 /nfs/dbraw/zinc/74/70/13/290747013.db2.gz MLMVLVJMKDPYBM-UHFFFAOYSA-N 0 0 186.166 2.539 10 0 biogenic,in-vitro AFAERN COC(=O)CCCC/C=C/C(C)C 5358358 325596530 /nfs/dbraw/zinc/59/65/30/325596530.db2.gz VGNUXABWYPYWTB-SOFGYWHQSA-N 0 0 184.279 2.932 10 0 AFAERN C1CCC(NNC2CCCCC2)CC1 32233523 325598786 /nfs/dbraw/zinc/59/87/86/325598786.db2.gz CFQIQDIUBDMOBX-UHFFFAOYSA-N 0 0 196.338 2.746 10 0 AFAERN Cc1cccc([C@@H]2CCC[C@@H]2O)c1C 53751814 325603128 /nfs/dbraw/zinc/60/31/28/325603128.db2.gz OOGBVORVTHPSFW-STQMWFEESA-N 0 0 190.286 2.932 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1CCC[C@H]1O 55230427 325603144 /nfs/dbraw/zinc/60/31/44/325603144.db2.gz ALCTVITYEKBQAS-NWDGAFQWSA-N 0 0 194.249 2.763 10 0 AFAERN O[C@H]1CCC[C@H]1c1cc(F)cc(F)c1 55230387 325603267 /nfs/dbraw/zinc/60/32/67/325603267.db2.gz DGESKOFFHXRBTQ-QWRGUYRKSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@@H]1CCC[C@@H]1c1cc(F)cc(F)c1 55230392 325603320 /nfs/dbraw/zinc/60/33/20/325603320.db2.gz DGESKOFFHXRBTQ-GHMZBOCLSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1cccc([C@H]2CCC[C@H]2O)c1C 53751820 325603342 /nfs/dbraw/zinc/60/33/42/325603342.db2.gz OOGBVORVTHPSFW-CHWSQXEVSA-N 0 0 190.286 2.932 10 0 AFAERN CC1(C)CC(=O)c2ccsc21 57347049 325603719 /nfs/dbraw/zinc/60/37/19/325603719.db2.gz HRUJSLLDRVNABK-UHFFFAOYSA-N 0 0 166.245 2.612 10 0 AFAERN CC(C)=CC[C@H](C)/C(C)=C/CO 59724826 325604049 /nfs/dbraw/zinc/60/40/49/325604049.db2.gz ZPIKDJYPRJOHLN-VUBLIPMDSA-N 0 0 168.280 2.917 10 0 AFAERN Cc1cccc(C2(CO)CCCC2)c1 84350363 325609466 /nfs/dbraw/zinc/60/94/66/325609466.db2.gz ILGHHZDMXBLAEV-UHFFFAOYSA-N 0 0 190.286 2.799 10 0 AFAERN CCC/C=C/C=C/C=C\C(=O)OC 85475903 325610654 /nfs/dbraw/zinc/61/06/54/325610654.db2.gz DLNQRJFVXCCDKL-WPOADVJFSA-N 0 0 180.247 2.628 10 0 biogenic,in-vitro AFAERN Cc1cc(F)cc([C@@H]2CCC[C@H]2O)c1 86693774 325611079 /nfs/dbraw/zinc/61/10/79/325611079.db2.gz YLMLPWIARXBSEM-NWDGAFQWSA-N 0 0 194.249 2.763 10 0 AFAERN Fc1ccc(OC2CCC2)c(F)c1 96029182 325612936 /nfs/dbraw/zinc/61/29/36/325612936.db2.gz XDFPUQZHHXDHHM-UHFFFAOYSA-N 0 0 184.185 2.896 10 0 AFAERN CNc1cc(F)c(Cl)cc1F 238328875 325631787 /nfs/dbraw/zinc/63/17/87/325631787.db2.gz GIUSJZFTBPPYRK-UHFFFAOYSA-N 0 0 177.581 2.660 10 0 AFAERN c1cncc(-c2cnc(C3CC3)o2)c1 527531511 325646773 /nfs/dbraw/zinc/64/67/73/325646773.db2.gz GCTXAJMMMVNIQY-UHFFFAOYSA-N 0 0 186.214 2.614 10 0 AFAERN c1nscc1-c1cnc(C2CC2)o1 527532310 325647084 /nfs/dbraw/zinc/64/70/84/325647084.db2.gz LYAOOCRFGOZSJN-UHFFFAOYSA-N 0 0 192.243 2.676 10 0 AFAERN c1ccc(-c2cnc(C3CC3)o2)nc1 527532908 325647099 /nfs/dbraw/zinc/64/70/99/325647099.db2.gz QDIJFNDLHXWZOQ-UHFFFAOYSA-N 0 0 186.214 2.614 10 0 AFAERN c1cc(-c2cnc(C3CC3)o2)ns1 527533916 325647564 /nfs/dbraw/zinc/64/75/64/325647564.db2.gz XHNPBFRDCVPFJH-UHFFFAOYSA-N 0 0 192.243 2.676 10 0 AFAERN Cc1ncn(CC2CC(C)(C)C2)c1C 528381387 325657375 /nfs/dbraw/zinc/65/73/75/325657375.db2.gz MQXXKOBJAAFFHW-UHFFFAOYSA-N 0 0 192.306 2.936 10 0 AFAERN CCC(=O)NCC[C@@H]1CCCC1(C)C 528444153 325657852 /nfs/dbraw/zinc/65/78/52/325657852.db2.gz OZLAUUVQSCBLMQ-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CCC(=O)NCC[C@H]1CCCC1(C)C 528444155 325658079 /nfs/dbraw/zinc/65/80/79/325658079.db2.gz OZLAUUVQSCBLMQ-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)C(=O)NCC[C@H]1CC=CCC1 529870942 325663077 /nfs/dbraw/zinc/66/30/77/325663077.db2.gz MGNSVDCQOOTQAA-NSHDSACASA-N 0 0 195.306 2.505 10 0 AFAERN CCc1nccn1CC1CC(C)(C)C1 530106904 325663728 /nfs/dbraw/zinc/66/37/28/325663728.db2.gz AOHWBFKCOIPKNI-UHFFFAOYSA-N 0 0 192.306 2.882 10 0 AFAERN CCCCCn1ccnc1C1CC1 530128718 325663949 /nfs/dbraw/zinc/66/39/49/325663949.db2.gz BGUCFHPUAUJXBC-UHFFFAOYSA-N 0 0 178.279 2.951 10 0 AFAERN Cc1cc(C)n(CC2CC(C)(C)C2)n1 530160650 325664384 /nfs/dbraw/zinc/66/43/84/325664384.db2.gz ORSDJGGFZJIDEO-UHFFFAOYSA-N 0 0 192.306 2.936 10 0 AFAERN CC1(C)CC(COc2ccncc2)C1 530164371 325665017 /nfs/dbraw/zinc/66/50/17/325665017.db2.gz DUHGAARAQRXEBM-UHFFFAOYSA-N 0 0 191.274 2.897 10 0 AFAERN Cc1cnn(CC2CC(C)(C)C2)c1 530162646 325665211 /nfs/dbraw/zinc/66/52/11/325665211.db2.gz YYWRWKGFFDUJPI-UHFFFAOYSA-N 0 0 178.279 2.628 10 0 AFAERN CCS(=O)(CC)=Nc1ccccc1 536949489 325667368 /nfs/dbraw/zinc/66/73/68/325667368.db2.gz AIWXGZFDAZSTQA-UHFFFAOYSA-N 0 0 197.303 2.826 10 0 AFAERN N=[S@](=O)(C1CCCCC1)C1CC1 536957527 325671642 /nfs/dbraw/zinc/67/16/42/325671642.db2.gz HLEZIABJFLPFNT-LBPRGKRZSA-N 0 0 187.308 2.528 10 0 AFAERN CC(C)c1n[nH]cc1C(F)(F)F 536956992 325671649 /nfs/dbraw/zinc/67/16/49/325671649.db2.gz AWTOSFYKQDSOJZ-UHFFFAOYSA-N 0 0 178.157 2.552 10 0 AFAERN CC(C)(C)c1n[nH]cc1C(F)(F)F 536958285 325672320 /nfs/dbraw/zinc/67/23/20/325672320.db2.gz IXDQSKWIYVSPNP-UHFFFAOYSA-N 0 0 192.184 2.726 10 0 AFAERN CC/C=C(/C)CC 1699397 342960096 /nfs/dbraw/zinc/96/00/96/342960096.db2.gz FHHSSXNRVNXTBG-SREVYHEPSA-N 0 0 98.189 2.753 10 0 AFAERN CCCCc1cccc(C)n1 1587746 342949575 /nfs/dbraw/zinc/94/95/75/342949575.db2.gz CTIJGOMYLLUVIK-UHFFFAOYSA-N 0 0 149.237 2.733 10 0 AFAERN CCCC(O)(CC)CCC 1702386 342960696 /nfs/dbraw/zinc/96/06/96/342960696.db2.gz GNROHGFUVTWFNG-UHFFFAOYSA-N 0 0 144.258 2.728 10 0 AFAERN Cc1ccc2ccccc2c1CON 1767 342923592 /nfs/dbraw/zinc/92/35/92/342923592.db2.gz DSBSLDVRDBLLFL-UHFFFAOYSA-N 0 0 187.242 2.539 10 0 in-man AFAERN CCCC(CCC)(CCC)C(N)=O 2237 342923776 /nfs/dbraw/zinc/92/37/76/342923776.db2.gz ACBLZFZDCOGNHD-UHFFFAOYSA-N 0 0 185.311 2.858 10 0 in-man AFAERN Cc1c2n(c3ccccc13)CCC2=O 108226 342926857 /nfs/dbraw/zinc/92/68/57/342926857.db2.gz XZSHIWTYVYPCRW-UHFFFAOYSA-N 0 0 185.226 2.536 10 0 AFAERN CC1(C)CC2(CCCCC2)C(=O)O1 136526 342927634 /nfs/dbraw/zinc/92/76/34/342927634.db2.gz UVZNNTJSCNFFND-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CC(C)Nc1nc2cccnc2s1 128808 342927852 /nfs/dbraw/zinc/92/78/52/342927852.db2.gz XKSBHFRDGRUBGC-UHFFFAOYSA-N 0 0 193.275 2.512 10 0 AFAERN Cc1cccc2nc3c(nc12)CCCC3 153839 342928617 /nfs/dbraw/zinc/92/86/17/342928617.db2.gz WIAPTWKGYKQWRB-UHFFFAOYSA-N 0 0 198.269 2.817 10 0 AFAERN CCSC(=O)NC1CCCCC1 161777 342930045 /nfs/dbraw/zinc/93/00/45/342930045.db2.gz PUNUCLJJWUUKFB-UHFFFAOYSA-N 0 0 187.308 2.782 10 0 AFAERN C=Cn1c2ccccc2n2cc(C)nc12 233329 342932010 /nfs/dbraw/zinc/93/20/10/342932010.db2.gz KFJIFCJLAZSRQE-UHFFFAOYSA-N 0 0 197.241 2.698 10 0 AFAERN c1cnc2c(c1)ccc1[nH]ccc12 264283 342932551 /nfs/dbraw/zinc/93/25/51/342932551.db2.gz ZIUYHTQZEPDUCZ-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN Cc1ccc2oc(=S)n(C)c2c1 382873 342935274 /nfs/dbraw/zinc/93/52/74/342935274.db2.gz WJRBNMRCNVIWFB-UHFFFAOYSA-N 0 0 179.244 2.809 10 0 AFAERN CNC(=O)Oc1cccc(C(C)C)c1 397931 342937873 /nfs/dbraw/zinc/93/78/73/342937873.db2.gz GYKXQTKSWLAUIT-UHFFFAOYSA-N 0 0 193.246 2.528 10 0 in-vitro AFAERN CN1C(=S)C(C)(C)c2ccccc21 409922 342939181 /nfs/dbraw/zinc/93/91/81/342939181.db2.gz PCYSAMUMYVRRRI-UHFFFAOYSA-N 0 0 191.299 2.741 10 0 AFAERN Cc1cc(C)c(C2=NOCC2)c(C)c1 481732 342939684 /nfs/dbraw/zinc/93/96/84/342939684.db2.gz LFURGTJUFBIKNN-UHFFFAOYSA-N 0 0 189.258 2.736 10 0 AFAERN Cc1ccc(C(=O)c2cc[nH]c2)cc1 1010456 342942720 /nfs/dbraw/zinc/94/27/20/342942720.db2.gz XDFNIPTUZKLQOY-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN Cc1ccc2nc(C)c3c(c2c1)COC3 1016681 342942730 /nfs/dbraw/zinc/94/27/30/342942730.db2.gz UGBBPFUVNXBLGW-UHFFFAOYSA-N 0 0 199.253 2.882 10 0 AFAERN CC(=O)O[C@H]1CC[C@H]2CCCC[C@H]2C1 1319161 342944352 /nfs/dbraw/zinc/94/43/52/342944352.db2.gz XKCLIPLFEJSOAT-WOPDTQHZSA-N 0 0 196.290 2.908 10 0 AFAERN CCCP(OCC)OCC 1445007 342945830 /nfs/dbraw/zinc/94/58/30/342945830.db2.gz DCCVVXOAXUMESS-UHFFFAOYSA-N 0 0 164.185 2.781 10 0 AFAERN Cc1cc(F)ccc1-n1cccc1 1519693 342946120 /nfs/dbraw/zinc/94/61/20/342946120.db2.gz PJDHSBGJGSZLCZ-UHFFFAOYSA-N 0 0 175.206 2.925 10 0 AFAERN CC(=O)O[C@@H]1CCCC[C@H]1C(C)C 1577380 342948362 /nfs/dbraw/zinc/94/83/62/342948362.db2.gz WIIRPURLPKRMBM-WDEREUQCSA-N 0 0 184.279 2.764 10 0 AFAERN CC(=O)O[C@H]1CCCC[C@@H]1C(C)C 1577381 342948484 /nfs/dbraw/zinc/94/84/84/342948484.db2.gz WIIRPURLPKRMBM-MNOVXSKESA-N 0 0 184.279 2.764 10 0 AFAERN CC(=O)O[C@@H]1CCCC[C@@H]1C(C)C 1577379 342948486 /nfs/dbraw/zinc/94/84/86/342948486.db2.gz WIIRPURLPKRMBM-GHMZBOCLSA-N 0 0 184.279 2.764 10 0 AFAERN CC(=O)O[C@H]1CCCC[C@H]1C(C)C 1577382 342948560 /nfs/dbraw/zinc/94/85/60/342948560.db2.gz WIIRPURLPKRMBM-QWRGUYRKSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)[C@@](C)(O)CC(C)(C)C 1587721 342949609 /nfs/dbraw/zinc/94/96/09/342949609.db2.gz KTSYBVKVNWGHBC-JTQLQIEISA-N 0 0 158.285 2.830 10 0 AFAERN CCC(=O)c1sccc1C 1596529 342950417 /nfs/dbraw/zinc/95/04/17/342950417.db2.gz BNYWLRXOYPUFKD-UHFFFAOYSA-N 0 0 154.234 2.649 10 0 AFAERN CCCCCN(C=O)CCCCC 1597365 342950520 /nfs/dbraw/zinc/95/05/20/342950520.db2.gz OWHSZQHZBUQBRH-UHFFFAOYSA-N 0 0 185.311 2.825 10 0 AFAERN C[C@H]1CC[P@](=O)(c2ccccc2)C1 1612984 342952166 /nfs/dbraw/zinc/95/21/66/342952166.db2.gz NMWVKRPDPIADRN-GXFFZTMASA-N 0 0 194.214 2.715 10 0 AFAERN C[C@H]1CC[P@@](=O)(c2ccccc2)C1 1612986 342952440 /nfs/dbraw/zinc/95/24/40/342952440.db2.gz NMWVKRPDPIADRN-GWCFXTLKSA-N 0 0 194.214 2.715 10 0 AFAERN Cc1ccc(O)cc1C(C)C 1632806 342953371 /nfs/dbraw/zinc/95/33/71/342953371.db2.gz FBNAWLJSQORPAX-UHFFFAOYSA-N 0 0 150.221 2.824 10 0 AFAERN CC(=O)c1cc(C)c(C)c(C)c1 1724754 342962387 /nfs/dbraw/zinc/96/23/87/342962387.db2.gz GTJJJBGBQYTRFV-UHFFFAOYSA-N 0 0 162.232 2.814 10 0 AFAERN CCc1ccc(O)c(CC)c1 1845502 342964791 /nfs/dbraw/zinc/96/47/91/342964791.db2.gz LMLAXOBGXCTWBJ-UHFFFAOYSA-N 0 0 150.221 2.517 10 0 AFAERN CCCCCc1ccc(O)cc1O 1846569 342964794 /nfs/dbraw/zinc/96/47/94/342964794.db2.gz PJHYOCWMKYASAB-UHFFFAOYSA-N 0 0 180.247 2.831 10 0 AFAERN CCCOP(=O)(OCC)OCC 1845678 342964889 /nfs/dbraw/zinc/96/48/89/342964889.db2.gz IHPUVAUZMHQZSK-UHFFFAOYSA-N 0 0 196.183 2.594 10 0 AFAERN CCCCCCC1(C)OCCO1 1845496 342964972 /nfs/dbraw/zinc/96/49/72/342964972.db2.gz HTSKVUFGMXXBAG-UHFFFAOYSA-N 0 0 172.268 2.720 10 0 AFAERN C[C@H]1CC(=S)Nc2ccccc2N1 1854780 342965025 /nfs/dbraw/zinc/96/50/25/342965025.db2.gz IZJYTDCZXXJUGJ-ZETCQYMHSA-N 0 0 192.287 2.630 10 0 AFAERN C[C@@H]1CC(=S)Nc2ccccc2N1 1854783 342965077 /nfs/dbraw/zinc/96/50/77/342965077.db2.gz IZJYTDCZXXJUGJ-SSDOTTSWSA-N 0 0 192.287 2.630 10 0 AFAERN CCc1ccc(CC)c(O)c1 2012805 342966447 /nfs/dbraw/zinc/96/64/47/342966447.db2.gz AQFCDVGUEQOTAC-UHFFFAOYSA-N 0 0 150.221 2.517 10 0 AFAERN CC1=CC[C@@]2(C(C)C)C[C@@H]12 2035755 342967792 /nfs/dbraw/zinc/96/77/92/342967792.db2.gz KQAZVFVOEIRWHN-UWVGGRQHSA-N 0 0 136.238 2.999 10 0 endogenous,in-man AFAERN CCCC(=O)CCC(C)C 2035127 342967797 /nfs/dbraw/zinc/96/77/97/342967797.db2.gz JUTSLBALKVVBQM-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN C[C@H]1CCCC1(C)C 2034544 342967972 /nfs/dbraw/zinc/96/79/72/342967972.db2.gz WINCSBAYCULVDU-ZETCQYMHSA-N 0 0 112.216 2.833 10 0 AFAERN CC1=CC[C@]2(C(C)C)C[C@H]12 2035757 342968021 /nfs/dbraw/zinc/96/80/21/342968021.db2.gz KQAZVFVOEIRWHN-NXEZZACHSA-N 0 0 136.238 2.999 10 0 endogenous,in-man AFAERN CCCCc1cccc(O)c1 2038134 342968397 /nfs/dbraw/zinc/96/83/97/342968397.db2.gz MQSXUKPGWMJYBT-UHFFFAOYSA-N 0 0 150.221 2.735 10 0 AFAERN Cc1csc(C)c1C 2039246 342968552 /nfs/dbraw/zinc/96/85/52/342968552.db2.gz MAVVDCDMBKFUES-UHFFFAOYSA-N 0 0 126.224 2.673 10 0 AFAERN CC1(C)CCC(C(C)(C)O)CC1 2145131 342970183 /nfs/dbraw/zinc/97/01/83/342970183.db2.gz XNDIVHIBSYEVBE-UHFFFAOYSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1c[nH]c2cc(F)c(F)cc12 2384037 342971810 /nfs/dbraw/zinc/97/18/10/342971810.db2.gz JTRMAZCELNERNG-UHFFFAOYSA-N 0 0 167.158 2.755 10 0 AFAERN CCCCC[C@H]1CC[C@H](O)C1 2507835 342972951 /nfs/dbraw/zinc/97/29/51/342972951.db2.gz CAWGTBOWXFZUED-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1ccc(C(F)(F)F)c(N)c1F 2509696 342973083 /nfs/dbraw/zinc/97/30/83/342973083.db2.gz NBKPZJOGGSAFGF-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN COC(=O)/N=C/c1ccc(Cl)cc1 2510983 342973296 /nfs/dbraw/zinc/97/32/96/342973296.db2.gz APHNANULOBWWDU-IZZDOVSWSA-N 0 0 197.621 2.525 10 0 AFAERN Cc1cnc(CC(C)C)s1 2522772 342974131 /nfs/dbraw/zinc/97/41/31/342974131.db2.gz SOWKBUUNEGNLMS-UHFFFAOYSA-N 0 0 155.266 2.650 10 0 AFAERN Cc1ccccc1-c1ccc(C=O)cn1 2527555 342974463 /nfs/dbraw/zinc/97/44/63/342974463.db2.gz QYPKBUJGIFRGJK-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CC(C)OCCc1ccccc1 2534714 342974935 /nfs/dbraw/zinc/97/49/35/342974935.db2.gz FMPXLXBVYDFXIC-UHFFFAOYSA-N 0 0 164.248 2.654 10 0 AFAERN COP(OC)C1CCCCC1 2560661 342976960 /nfs/dbraw/zinc/97/69/60/342976960.db2.gz DBGQGPJBMWNQIB-UHFFFAOYSA-N 0 0 176.196 2.924 10 0 AFAERN C[C@H](CP)CC(C)(C)C 2562323 342977035 /nfs/dbraw/zinc/97/70/35/342977035.db2.gz WKUJXKQEUURINH-ZETCQYMHSA-N 0 0 146.214 2.934 10 0 AFAERN CCCC/C=C/CC(=O)OCC 2567753 342977544 /nfs/dbraw/zinc/97/75/44/342977544.db2.gz BCMYNNIPTQUKAC-BQYQJAHWSA-N 0 0 170.252 2.686 10 0 endogenous,in-man AFAERN C=COC(=O)CCCCC(C)C 2572054 342977981 /nfs/dbraw/zinc/97/79/81/342977981.db2.gz RASNHPFIOGUOOT-UHFFFAOYSA-N 0 0 170.252 2.890 10 0 AFAERN Cc1ccc(-c2ccncc2C=O)cc1 2574339 342978014 /nfs/dbraw/zinc/97/80/14/342978014.db2.gz OKXDMCPUJXCGRL-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN C=CC(=O)OCc1ccc(C=C)cc1 2572036 342978018 /nfs/dbraw/zinc/97/80/18/342978018.db2.gz HSWCSVMSZHPNRS-UHFFFAOYSA-N 0 0 188.226 2.559 10 0 AFAERN Cc1cc(C)c(O)c(-c2ccno2)c1 2574003 342978091 /nfs/dbraw/zinc/97/80/91/342978091.db2.gz HXWWZKBSGIKEPY-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN COc1cccc(CC(C)C)c1 2579410 342978649 /nfs/dbraw/zinc/97/86/49/342978649.db2.gz RKFHHEGFYAISAB-UHFFFAOYSA-N 0 0 164.248 2.894 10 0 AFAERN Cc1ccn2cc(C(C)(C)C)nc2c1 2684901 342979517 /nfs/dbraw/zinc/97/95/17/342979517.db2.gz IQTMYAPGZFZARE-UHFFFAOYSA-N 0 0 188.274 2.940 10 0 AFAERN FC1(F)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1(F)F 3165291 342981393 /nfs/dbraw/zinc/98/13/93/342981393.db2.gz RKBDIAMXCKXCEJ-RNGGSSJXSA-N 0 0 192.155 2.709 10 0 AFAERN CCCCC(=S)N(CC)CC 3165202 342981541 /nfs/dbraw/zinc/98/15/41/342981541.db2.gz BUKWVAGHRJCHNG-UHFFFAOYSA-N 0 0 173.325 2.846 10 0 AFAERN Cc1nc2cc3nc(C)oc3cc2o1 3194919 342981901 /nfs/dbraw/zinc/98/19/01/342981901.db2.gz JMLQVIGRGVEXEC-UHFFFAOYSA-N 0 0 188.186 2.586 10 0 AFAERN C/C=C/COCc1ccccc1 3593666 342982225 /nfs/dbraw/zinc/98/22/25/342982225.db2.gz HUTWDUVHIKUWOF-NSCUHMNNSA-N 0 0 162.232 2.779 10 0 AFAERN CSC(=S)OC1CCCCC1 3586017 342982326 /nfs/dbraw/zinc/98/23/26/342982326.db2.gz OPLBMJFYACKMRJ-UHFFFAOYSA-N 0 0 190.333 2.984 10 0 AFAERN CC(C)(C)O[C@@H]1CC1(Cl)Cl 3631782 342982787 /nfs/dbraw/zinc/98/27/87/342982787.db2.gz FQJCHVQLXOZDHG-RXMQYKEDSA-N 0 0 183.078 2.748 10 0 AFAERN CC(C)(C)O[C@H]1CC1(Cl)Cl 3631781 342982932 /nfs/dbraw/zinc/98/29/32/342982932.db2.gz FQJCHVQLXOZDHG-YFKPBYRVSA-N 0 0 183.078 2.748 10 0 AFAERN CCCO[P@]1(=O)CC=C(C)C1 3639108 342983331 /nfs/dbraw/zinc/98/33/31/342983331.db2.gz BJLIWRLAODZOKG-LLVKDONJSA-N 0 0 174.180 2.651 10 0 AFAERN CCCO[P@@]1(=O)CC=C(C)C1 3639106 342983444 /nfs/dbraw/zinc/98/34/44/342983444.db2.gz BJLIWRLAODZOKG-NSHDSACASA-N 0 0 174.180 2.651 10 0 AFAERN Cc1cc([C@@H]2CCC[C@@H]2O)ccc1F 4255963 342989754 /nfs/dbraw/zinc/98/97/54/342989754.db2.gz DUXWGKMGMZNGJI-JQWIXIFHSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1cc([C@H]2CCC[C@H]2O)ccc1F 4255966 342989882 /nfs/dbraw/zinc/98/98/82/342989882.db2.gz DUXWGKMGMZNGJI-ZYHUDNBSSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccc2c(n1)CC(C)(C)CC2=O 4419748 342991952 /nfs/dbraw/zinc/99/19/52/342991952.db2.gz NFYVZLSUTSXLEN-UHFFFAOYSA-N 0 0 189.258 2.545 10 0 AFAERN Cc1c2nc3ccccc3c-2ccn1C 4532352 342992687 /nfs/dbraw/zinc/99/26/87/342992687.db2.gz WURQJRLLMSPUST-UHFFFAOYSA-N 0 0 196.253 2.987 10 0 AFAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC=O 4692405 342994172 /nfs/dbraw/zinc/99/41/72/342994172.db2.gz XEYZAKCJAFSLGZ-OUAUKWLOSA-N 0 0 184.279 2.620 10 0 AFAERN CC(C)O/C=C1\CCC[C@H](C)C1=O 4831072 342996115 /nfs/dbraw/zinc/99/61/15/342996115.db2.gz QNWIKZBTPZIPSV-HZAKCSEPSA-N 0 0 182.263 2.684 10 0 AFAERN CC(=O)C(C)(C)C(C)(C)C 5159356 342998974 /nfs/dbraw/zinc/99/89/74/342998974.db2.gz VVCKMVBQLNBXOE-UHFFFAOYSA-N 0 0 142.242 2.648 10 0 AFAERN CC(C)c1ccc(N(C)C)cc1 5138439 342999128 /nfs/dbraw/zinc/99/91/28/342999128.db2.gz MJRUTYCVCLZWSR-UHFFFAOYSA-N 0 0 163.264 2.876 10 0 AFAERN COP(=O)(C=C=C(C)C)OC 5158488 342999248 /nfs/dbraw/zinc/99/92/48/342999248.db2.gz NWKKSQUZYBRYCV-UHFFFAOYSA-N 0 0 176.152 2.551 10 0 AFAERN C1C2CC3CC1CC(C2)C31N=N1 5188020 342999599 /nfs/dbraw/zinc/99/95/99/342999599.db2.gz PNVXTJMLAFYDOJ-UHFFFAOYSA-N 0 0 162.236 2.605 10 0 AFAERN Cc1cccc(C)c1N1CCC1 5161172 342999636 /nfs/dbraw/zinc/99/96/36/342999636.db2.gz MHXYJRDWCLHKMY-UHFFFAOYSA-N 0 0 161.248 2.514 10 0 AFAERN CCC(=O)CCc1ccc(C)cc1 5307188 343000660 /nfs/dbraw/zinc/00/06/60/343000660.db2.gz KJHTXBFFCBBQCO-UHFFFAOYSA-N 0 0 176.259 2.907 10 0 AFAERN CCCC[C@@]1(O)C=CCCC1 5309900 343001032 /nfs/dbraw/zinc/00/10/32/343001032.db2.gz IJPPBNXVRHTWQK-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC[C@]1(O)C=CCCC1 5310230 343001077 /nfs/dbraw/zinc/00/10/77/343001077.db2.gz IJPPBNXVRHTWQK-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CCOC(=O)/C=C/c1cccc(C)c1 5324787 343001309 /nfs/dbraw/zinc/00/13/09/343001309.db2.gz QQRJPDCUZPIHFK-BQYQJAHWSA-N 0 0 190.242 2.571 10 0 AFAERN CCOC(=O)/C=C/C1=CCCCC1 5369238 343001644 /nfs/dbraw/zinc/00/16/44/343001644.db2.gz YOOQVENYBWCBFM-CMDGGOBGSA-N 0 0 180.247 2.606 10 0 AFAERN C[C@H]1CCC[C@@H](C)N1C(=O)C(C)(C)C 5369508 343001770 /nfs/dbraw/zinc/00/17/70/343001770.db2.gz UXKHJPMTWKRGHI-AOOOYVTPSA-N 0 0 197.322 2.822 10 0 AFAERN C[C@H]1CCC[C@H](C)N1C(=O)C(C)(C)C 5376120 343001859 /nfs/dbraw/zinc/00/18/59/343001859.db2.gz UXKHJPMTWKRGHI-UWVGGRQHSA-N 0 0 197.322 2.822 10 0 AFAERN CC(C)[C@](C)(O)CC(C)(C)C 5457566 343003013 /nfs/dbraw/zinc/00/30/13/343003013.db2.gz KTSYBVKVNWGHBC-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN CC1=CC[C@H]([C@@H](C)CCO)CC1 5457543 343003071 /nfs/dbraw/zinc/00/30/71/343003071.db2.gz JTVKFAPEIBMMHX-QWRGUYRKSA-N 0 0 168.280 2.751 10 0 AFAERN CC1=CC[C@@H]([C@H](C)CCO)CC1 5457633 343003074 /nfs/dbraw/zinc/00/30/74/343003074.db2.gz JTVKFAPEIBMMHX-GHMZBOCLSA-N 0 0 168.280 2.751 10 0 AFAERN CCCCC[C@H](C)OC(C)=O 5513363 343004250 /nfs/dbraw/zinc/00/42/50/343004250.db2.gz VJYWBLDDQZIGJI-QMMMGPOBSA-N 0 0 158.241 2.518 10 0 AFAERN CCCCC[C@@H](C)OC(C)=O 5513208 343004283 /nfs/dbraw/zinc/00/42/83/343004283.db2.gz VJYWBLDDQZIGJI-MRVPVSSYSA-N 0 0 158.241 2.518 10 0 AFAERN CCCCC[C@@H](O)c1ccco1 5513438 343004286 /nfs/dbraw/zinc/00/42/86/343004286.db2.gz DWNAWEKBEBTKDE-SECBINFHSA-N 0 0 168.236 2.893 10 0 AFAERN CCC(=O)[C@H](C)[C@@H](C)CC 5651421 343005897 /nfs/dbraw/zinc/00/58/97/343005897.db2.gz IRIIDIBXOJRBDH-JGVFFNPUSA-N 0 0 142.242 2.648 10 0 AFAERN CC(C)[C@@H]1Cc2ccccc2C1=O 5761225 343007618 /nfs/dbraw/zinc/00/76/18/343007618.db2.gz WBCAKNRIXCUKPZ-NSHDSACASA-N 0 0 174.243 2.698 10 0 AFAERN Cc1ccc(OC(=O)C(C)(C)C)cc1 5746093 343007686 /nfs/dbraw/zinc/00/76/86/343007686.db2.gz FQUYWADLJYCJJO-UHFFFAOYSA-N 0 0 192.258 2.947 10 0 AFAERN CC(C)[C@H]1Cc2ccccc2C1=O 5761450 343007841 /nfs/dbraw/zinc/00/78/41/343007841.db2.gz WBCAKNRIXCUKPZ-LLVKDONJSA-N 0 0 174.243 2.698 10 0 AFAERN CC1(C)CC(=O)CC(C)(C)S1 5762102 343007940 /nfs/dbraw/zinc/00/79/40/343007940.db2.gz CGAPIUWHWGPGJN-UHFFFAOYSA-N 0 0 172.293 2.640 10 0 AFAERN COC1(OC)C[C@H]2CC[C@]1(C)C2(C)C 5765397 343008030 /nfs/dbraw/zinc/00/80/30/343008030.db2.gz RRCYFCPKYNYACP-MWLCHTKSSA-N 0 0 198.306 2.822 10 0 AFAERN Cc1cc(C=O)cc(C(C)C)c1O 5765155 343008067 /nfs/dbraw/zinc/00/80/67/343008067.db2.gz MZGYHGQVVFEMIG-UHFFFAOYSA-N 0 0 178.231 2.637 10 0 AFAERN CC1=CCO[C@@H](CC(C)C)C1 5767060 343008180 /nfs/dbraw/zinc/00/81/80/343008180.db2.gz GQJUQRHPTSAQNQ-JTQLQIEISA-N 0 0 154.253 2.768 10 0 AFAERN CC1=CCO[C@H](CC(C)C)C1 5767056 343008441 /nfs/dbraw/zinc/00/84/41/343008441.db2.gz GQJUQRHPTSAQNQ-SNVBAGLBSA-N 0 0 154.253 2.768 10 0 AFAERN CC(C)c1ccc2[nH]cnc2c1 5799220 343008457 /nfs/dbraw/zinc/00/84/57/343008457.db2.gz RFPOYGARIHBHDV-UHFFFAOYSA-N 0 0 160.220 2.686 10 0 AFAERN CCCC(=O)c1ccc(N)c(Cl)c1 5819675 343008601 /nfs/dbraw/zinc/00/86/01/343008601.db2.gz AMBKVHMGXICXJT-UHFFFAOYSA-N 0 0 197.665 2.905 10 0 AFAERN CCCC[C@@H](CC)CCO 5821744 343008771 /nfs/dbraw/zinc/00/87/71/343008771.db2.gz VRZRVMXNGMZLDB-SECBINFHSA-N 0 0 144.258 2.585 10 0 AFAERN CCCC[C@H](CC)C(C)=O 5822031 343008810 /nfs/dbraw/zinc/00/88/10/343008810.db2.gz PPKSOKLRYCVQPM-VIFPVBQESA-N 0 0 142.242 2.792 10 0 AFAERN CCCCCCO[C@@H](C)OC 5820340 343008874 /nfs/dbraw/zinc/00/88/74/343008874.db2.gz COARODKCNGNOQZ-VIFPVBQESA-N 0 0 160.257 2.576 10 0 AFAERN CCCC[C@H](CC)CCO 5822063 343008891 /nfs/dbraw/zinc/00/88/91/343008891.db2.gz VRZRVMXNGMZLDB-VIFPVBQESA-N 0 0 144.258 2.585 10 0 AFAERN C1CCCSCCC1 5840878 343009042 /nfs/dbraw/zinc/00/90/42/343009042.db2.gz AMIGYDGSJCJWSD-UHFFFAOYSA-N 0 0 130.256 2.684 10 0 AFAERN CC[C@@H](O)/C(C)=C/c1ccccc1 5924247 343009918 /nfs/dbraw/zinc/00/99/18/343009918.db2.gz OWGNPUJWHVDTGC-BZYZDCJZSA-N 0 0 176.259 2.861 10 0 AFAERN CC[C@H](C)c1cccc(O)c1 5925513 343009948 /nfs/dbraw/zinc/00/99/48/343009948.db2.gz NBYBZLCUXTUWBA-QMMMGPOBSA-N 0 0 150.221 2.906 10 0 AFAERN CC[C@H](C)Oc1ccccc1 5925171 343009980 /nfs/dbraw/zinc/00/99/80/343009980.db2.gz VJQIPKNMASGCOC-VIFPVBQESA-N 0 0 150.221 2.864 10 0 AFAERN CC[C@H](CCO)c1ccccc1 5925613 343010002 /nfs/dbraw/zinc/01/00/02/343010002.db2.gz JPPLSSACGHEOFN-SNVBAGLBSA-N 0 0 164.248 2.563 10 0 AFAERN CC[C@](C)(O)/C=C/c1ccccc1 5923575 343010048 /nfs/dbraw/zinc/01/00/48/343010048.db2.gz BMZIBDNSLIDIFP-VMPCVLLUSA-N 0 0 176.259 2.861 10 0 AFAERN CC[C@H](C)CCCC(C)=O 5924633 343010109 /nfs/dbraw/zinc/01/01/09/343010109.db2.gz FYYTUZVGGBLDOP-QMMMGPOBSA-N 0 0 142.242 2.792 10 0 AFAERN CC[P@](C)(=O)OCC(C)C 5955507 343010270 /nfs/dbraw/zinc/01/02/70/343010270.db2.gz LAUOWESHBLLZHR-SNVBAGLBSA-N 0 0 164.185 2.587 10 0 AFAERN CC[P@@](C)(=O)OCC(C)C 5955545 343010305 /nfs/dbraw/zinc/01/03/05/343010305.db2.gz LAUOWESHBLLZHR-JTQLQIEISA-N 0 0 164.185 2.587 10 0 AFAERN CC[C@@](C)(O)/C=C/c1ccccc1 5954647 343010414 /nfs/dbraw/zinc/01/04/14/343010414.db2.gz BMZIBDNSLIDIFP-BZYZDCJZSA-N 0 0 176.259 2.861 10 0 AFAERN CCc1ccc(C)c(C)c1O 5956338 343010424 /nfs/dbraw/zinc/01/04/24/343010424.db2.gz DGWHZFYSJFCOMZ-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN CCc1cc(C)cc(CC)c1O 5956202 343010503 /nfs/dbraw/zinc/01/05/03/343010503.db2.gz HFVTUNMAGWBDGI-UHFFFAOYSA-N 0 0 164.248 2.825 10 0 AFAERN C[C@H](OC=O)[C@@H]1CCCC(C)(C)C1 6021149 343011128 /nfs/dbraw/zinc/01/11/28/343011128.db2.gz NFASPEPDTMCBEN-VHSXEESVSA-N 0 0 184.279 2.764 10 0 AFAERN CC(=O)[C@@H](C(C)C)[C@H](C(C)=O)C(C)C 6020300 343011091 /nfs/dbraw/zinc/01/10/91/343011091.db2.gz YNJBURGZLQLQNE-TXEJJXNPSA-N 0 0 198.306 2.709 10 0 AFAERN C[C@H](O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 6021152 343011201 /nfs/dbraw/zinc/01/12/01/343011201.db2.gz KEBJPGDSNHGJFB-NNYUYHANSA-N 0 0 182.307 2.974 10 0 AFAERN CC(=O)O[C@@H](C)C1CCCCC1 6020331 343011215 /nfs/dbraw/zinc/01/12/15/343011215.db2.gz JAVZALBKNIHSLL-QMMMGPOBSA-N 0 0 170.252 2.518 10 0 AFAERN C[C@]1(c2ccc(Cl)cc2)CO1 6032140 343011463 /nfs/dbraw/zinc/01/14/63/343011463.db2.gz NAEOVJSSTOAABI-SECBINFHSA-N 0 0 168.623 2.585 10 0 AFAERN C[C@H](O)[C@H](C)CC1CCCCC1 6036178 343011474 /nfs/dbraw/zinc/01/14/74/343011474.db2.gz UNFLPVPOSGWAPY-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@H]1CCC(=O)[C@H](C)C1 6031486 343011533 /nfs/dbraw/zinc/01/15/33/343011533.db2.gz PSNQKTODENQMIO-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1C[C@](C)(c2ccccc2)CO1 6066725 343011871 /nfs/dbraw/zinc/01/18/71/343011871.db2.gz GPMLJOOQCIHFET-JQWIXIFHSA-N 0 0 176.259 2.753 10 0 endogenous,in-man AFAERN CC(C)[C@H]1CCC(=O)[C@@H](C)C1 6066611 343011933 /nfs/dbraw/zinc/01/19/33/343011933.db2.gz PSNQKTODENQMIO-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@]1(c2ccc(Cl)cc2)CO1 6067359 343011964 /nfs/dbraw/zinc/01/19/64/343011964.db2.gz NAEOVJSSTOAABI-VIFPVBQESA-N 0 0 168.623 2.585 10 0 AFAERN CC1=CC(=S)C(C)S1 6069858 343012422 /nfs/dbraw/zinc/01/24/22/343012422.db2.gz PLQIJELLQWWAIE-UHFFFAOYSA-N 0 0 144.264 2.654 10 0 AFAERN CC(C)=CC(=O)Oc1ccc(C)cc1 6070934 343012435 /nfs/dbraw/zinc/01/24/35/343012435.db2.gz WXLMUDDKYMGUFP-UHFFFAOYSA-N 0 0 190.242 2.867 10 0 AFAERN C[S@@](=O)/C=C/C=C\c1ccccc1 6073166 343012644 /nfs/dbraw/zinc/01/26/44/343012644.db2.gz FNRJQDRZOIQVST-CANYWKINSA-N 0 0 192.283 2.592 10 0 AFAERN c1ccc2c(c1)C[C@@H](c1ccncc1)N2 6269866 343013486 /nfs/dbraw/zinc/01/34/86/343013486.db2.gz SYGKAOBEONXOHJ-ZDUSSCGKSA-N 0 0 196.253 2.791 10 0 AFAERN c1ccc2c(c1)C[C@H](c1ccncc1)N2 6269861 343013860 /nfs/dbraw/zinc/01/38/60/343013860.db2.gz SYGKAOBEONXOHJ-CYBMUJFWSA-N 0 0 196.253 2.791 10 0 AFAERN COCCSc1ccccc1C 6451834 343014690 /nfs/dbraw/zinc/01/46/90/343014690.db2.gz HUDXZCRUUKSWMW-UHFFFAOYSA-N 0 0 182.288 2.734 10 0 AFAERN ClC1=NO[C@@H](c2ccccc2)C1 6575743 343015605 /nfs/dbraw/zinc/01/56/05/343015605.db2.gz RQKHDLVXQFONPI-MRVPVSSYSA-N 0 0 181.622 2.700 10 0 AFAERN Cc1ccc(C(=O)c2ccc[nH]2)cc1 6788147 343016397 /nfs/dbraw/zinc/01/63/97/343016397.db2.gz MDNRTNIOWCDASD-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN CC(C)CCOCc1ccc(C=O)o1 6883301 343016741 /nfs/dbraw/zinc/01/67/41/343016741.db2.gz BDLZNGFYFPBXMQ-UHFFFAOYSA-N 0 0 196.246 2.655 10 0 AFAERN CCCCCOCc1ccc(C=O)o1 7261405 343017215 /nfs/dbraw/zinc/01/72/15/343017215.db2.gz SRSKDYXXDVKXRN-UHFFFAOYSA-N 0 0 196.246 2.799 10 0 AFAERN Cc1cc(C)c(Cl)cc1N 7023214 343017320 /nfs/dbraw/zinc/01/73/20/343017320.db2.gz QPSAYZBKTUUNDB-UHFFFAOYSA-N 0 0 155.628 2.539 10 0 AFAERN Cc1cc(C)c(-c2ccncc2)[nH]1 7986590 343017638 /nfs/dbraw/zinc/01/76/38/343017638.db2.gz JQXHQRAZADJRMN-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CC[C@H](C)Nc1nc(C)cs1 8326822 343018243 /nfs/dbraw/zinc/01/82/43/343018243.db2.gz LACMKTCKRPGSRP-LURJTMIESA-N 0 0 170.281 2.662 10 0 AFAERN Cc1ccccc1-c1cc(C=O)ccn1 8698200 343019676 /nfs/dbraw/zinc/01/96/76/343019676.db2.gz ZCTLDAFYMHRUAK-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCCC[C@H](NO)c1ccccc1 8700236 343019876 /nfs/dbraw/zinc/01/98/76/343019876.db2.gz NZAFEZYPQXJNKN-NSHDSACASA-N 0 0 179.263 2.897 10 0 AFAERN Cc1cccc2c(C=O)c(C)n(C)c12 8701723 343020013 /nfs/dbraw/zinc/02/00/13/343020013.db2.gz FTDQCQOGMMTPEJ-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN Cc1cccc(Cn2cccc2C=O)c1 8728300 343020358 /nfs/dbraw/zinc/02/03/58/343020358.db2.gz PZUGRYZZTMRLBJ-UHFFFAOYSA-N 0 0 199.253 2.657 10 0 AFAERN CCC(=O)c1cn(C)c2ccccc12 9239743 343021235 /nfs/dbraw/zinc/02/12/35/343021235.db2.gz CJHZZTMCVWQEBK-UHFFFAOYSA-N 0 0 187.242 2.771 10 0 AFAERN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2O 11568107 343022580 /nfs/dbraw/zinc/02/25/80/343022580.db2.gz WCMACEBIGJOGHK-JTQLQIEISA-N 0 0 192.258 2.590 10 0 AFAERN Cc1ccc2c(c1)OC(C)(C)C[C@H]2O 11568108 343022623 /nfs/dbraw/zinc/02/26/23/343022623.db2.gz WCMACEBIGJOGHK-SNVBAGLBSA-N 0 0 192.258 2.590 10 0 AFAERN Cc1cccc2c1NC[C@@H](C)C2 11633167 343023609 /nfs/dbraw/zinc/02/36/09/343023609.db2.gz ABSMMYREZSOMJM-QMMMGPOBSA-N 0 0 161.248 2.599 10 0 AFAERN CC[C@H]1CNc2c(cccc2OC)C1 11633244 343023915 /nfs/dbraw/zinc/02/39/15/343023915.db2.gz IJBBZWJLRXKMFU-SECBINFHSA-N 0 0 191.274 2.689 10 0 AFAERN CCc1ccc2c(c1)C[C@@H](C)CN2 11633204 343023945 /nfs/dbraw/zinc/02/39/45/343023945.db2.gz MZYVYAVRKJDGJQ-SECBINFHSA-N 0 0 175.275 2.853 10 0 AFAERN CCc1cccc2c1NC[C@H](C)C2 11633201 343024027 /nfs/dbraw/zinc/02/40/27/343024027.db2.gz GMRXIEXMYCHXSS-SECBINFHSA-N 0 0 175.275 2.853 10 0 AFAERN CCc1cccc2c1NC[C@@H](C)C2 11633202 343024098 /nfs/dbraw/zinc/02/40/98/343024098.db2.gz GMRXIEXMYCHXSS-VIFPVBQESA-N 0 0 175.275 2.853 10 0 AFAERN CC[C@@H]1CNc2c(F)cccc2C1 11987427 343028124 /nfs/dbraw/zinc/02/81/24/343028124.db2.gz JGIJJWNPDXKIGP-QMMMGPOBSA-N 0 0 179.238 2.820 10 0 AFAERN CC[C@@H]1CNc2cc(F)ccc2C1 11987433 343028129 /nfs/dbraw/zinc/02/81/29/343028129.db2.gz FMHUCNGDQOXQRA-QMMMGPOBSA-N 0 0 179.238 2.820 10 0 AFAERN CC[C@H]1CNc2ccc(F)cc2C1 11987438 343028135 /nfs/dbraw/zinc/02/81/35/343028135.db2.gz BOCNTJBZANSNMW-MRVPVSSYSA-N 0 0 179.238 2.820 10 0 AFAERN CC[C@H]1CNc2cc(F)ccc2C1 11987435 343028280 /nfs/dbraw/zinc/02/82/80/343028280.db2.gz FMHUCNGDQOXQRA-MRVPVSSYSA-N 0 0 179.238 2.820 10 0 AFAERN CC[C@H]1CNc2c(F)cccc2C1 11987430 343028333 /nfs/dbraw/zinc/02/83/33/343028333.db2.gz JGIJJWNPDXKIGP-MRVPVSSYSA-N 0 0 179.238 2.820 10 0 AFAERN CC[C@@H]1CNc2ccc(F)cc2C1 11987437 343028465 /nfs/dbraw/zinc/02/84/65/343028465.db2.gz BOCNTJBZANSNMW-QMMMGPOBSA-N 0 0 179.238 2.820 10 0 AFAERN Cc1cc(O)c2c(O)cc(C)cc2c1 12446868 343031401 /nfs/dbraw/zinc/03/14/01/343031401.db2.gz OAYLOVPQXSLNGP-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN Cc1nccc2ccsc12 13284389 343033730 /nfs/dbraw/zinc/03/37/30/343033730.db2.gz TZHQSJQNYQGPDK-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN CCC(=O)Cc1ccc2ccccc2n1 13283177 343033744 /nfs/dbraw/zinc/03/37/44/343033744.db2.gz ZRWNYCNMQFWSOF-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN Cc1nccc2sccc12 13284388 343033757 /nfs/dbraw/zinc/03/37/57/343033757.db2.gz IFQXMPBAKFTEHE-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN C=C/C=C/CCCCCCO 13433461 343034611 /nfs/dbraw/zinc/03/46/11/343034611.db2.gz WIIGCNVKVVQGOY-ONEGZZNKSA-N 0 0 154.253 2.671 10 0 AFAERN CCCC[C@@H]1OC(=O)[C@H]2CCCC[C@H]12 13380489 343034635 /nfs/dbraw/zinc/03/46/35/343034635.db2.gz TZRMFZSOOVBPPN-DCAQKATOSA-N 0 0 196.290 2.908 10 0 endogenous,in-man AFAERN C/C=C\CSC/C=C\C 13450962 343034675 /nfs/dbraw/zinc/03/46/75/343034675.db2.gz GGZYULLMICUYQL-GLIMQPGKSA-N 0 0 142.267 2.872 10 0 AFAERN OCc1ccc2[nH]c3ccccc3c2c1 13383296 343034688 /nfs/dbraw/zinc/03/46/88/343034688.db2.gz ISFDTGKLFDCUHQ-UHFFFAOYSA-N 0 0 197.237 2.813 10 0 AFAERN Cc1nc(Cl)c2c(C)c(C)oc2n1 13367378 343034713 /nfs/dbraw/zinc/03/47/13/343034713.db2.gz OGBWMJONHCKZPH-UHFFFAOYSA-N 0 0 196.637 2.801 10 0 AFAERN CCCCc1nc(C)cs1 13437567 343034729 /nfs/dbraw/zinc/03/47/29/343034729.db2.gz HVRMJTCTZVGJDO-UHFFFAOYSA-N 0 0 155.266 2.794 10 0 endogenous,in-man AFAERN CCCC[C@@H]1OC(=O)[C@H]2CCCC[C@@H]12 13380487 343034742 /nfs/dbraw/zinc/03/47/42/343034742.db2.gz TZRMFZSOOVBPPN-VWYCJHECSA-N 0 0 196.290 2.908 10 0 endogenous,in-man AFAERN O=C1CCCCCCCCCO1 13509502 343035215 /nfs/dbraw/zinc/03/52/15/343035215.db2.gz GHZRKQCHJFHJPX-UHFFFAOYSA-N 0 0 170.252 2.664 10 0 AFAERN CCCCC/C=C\C=C/CO 13551430 343036213 /nfs/dbraw/zinc/03/62/13/343036213.db2.gz NUBWFSDCZULDCI-JPDBVBESSA-N 0 0 154.253 2.671 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](O)CCC2 13683712 343036614 /nfs/dbraw/zinc/03/66/14/343036614.db2.gz RIRIMDYRPXOLHI-GFCCVEGCSA-N 0 0 176.259 2.673 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](O)CCC2 13683733 343036724 /nfs/dbraw/zinc/03/67/24/343036724.db2.gz RIRIMDYRPXOLHI-LBPRGKRZSA-N 0 0 176.259 2.673 10 0 AFAERN Cc1c(O)cc2ccoc2c1C 14447766 343038607 /nfs/dbraw/zinc/03/86/07/343038607.db2.gz GSABGOSFHWWIQY-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN CC1CCC(O)(C(C)C)CC1 14588589 343039052 /nfs/dbraw/zinc/03/90/52/343039052.db2.gz LWKGCZOYSGKTLB-UHFFFAOYSA-N 0 0 156.269 2.584 10 0 endogenous,in-man AFAERN Cc1cc2c(C=O)cccc2o1 14590497 343039174 /nfs/dbraw/zinc/03/91/74/343039174.db2.gz FKJDUAWKFXHUKH-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN CCC[C@H](C)SC 14649347 343039716 /nfs/dbraw/zinc/03/97/16/343039716.db2.gz WGBHWWSSUGCSCP-LURJTMIESA-N 0 0 118.245 2.538 10 0 AFAERN CCC[C@@H](C)SC 14649345 343039738 /nfs/dbraw/zinc/03/97/38/343039738.db2.gz WGBHWWSSUGCSCP-ZCFIWIBFSA-N 0 0 118.245 2.538 10 0 AFAERN CCOC(=O)c1c(C)ccc(C)c1C 14822235 343040245 /nfs/dbraw/zinc/04/02/45/343040245.db2.gz HKWQRSBJOCYKRB-UHFFFAOYSA-N 0 0 192.258 2.789 10 0 AFAERN C[C@@H]1CCCc2ccc(O)cc21 14724259 343040257 /nfs/dbraw/zinc/04/02/57/343040257.db2.gz LANVOUZWYFDRQJ-MRVPVSSYSA-N 0 0 162.232 2.832 10 0 AFAERN Cc1c[nH]cc2c(Cl)cnc1-2 14986188 343040978 /nfs/dbraw/zinc/04/09/78/343040978.db2.gz HJKREOFXHVJMBU-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN Cc1ccc2cc[nH]c2c1C 14985850 343041000 /nfs/dbraw/zinc/04/10/00/343041000.db2.gz NATXVTGOBMUXMM-UHFFFAOYSA-N 0 0 145.205 2.785 10 0 in-vitro AFAERN CC[C@H](C)Cc1nc(C)cnc1C 15120082 343041313 /nfs/dbraw/zinc/04/13/13/343041313.db2.gz ARMKFUTVMIEDJN-QMMMGPOBSA-N 0 0 178.279 2.682 10 0 AFAERN Cc1c(C=O)oc2c(C)cccc12 15017099 343041484 /nfs/dbraw/zinc/04/14/84/343041484.db2.gz JJQBXVGJSDPNRG-UHFFFAOYSA-N 0 0 174.199 2.862 10 0 AFAERN CC(C)c1cncc(C(C)C)n1 15119201 343041490 /nfs/dbraw/zinc/04/14/90/343041490.db2.gz NYAIYYVTRTULIS-UHFFFAOYSA-N 0 0 164.252 2.723 10 0 AFAERN Cc1ccc([C@@H]2CCC[C@@H]2O)cc1F 15440850 343041741 /nfs/dbraw/zinc/04/17/41/343041741.db2.gz AWXPGMQDSFFUOI-JQWIXIFHSA-N 0 0 194.249 2.763 10 0 AFAERN CCc1ccc([C@@H]2CCC[C@@H]2O)cc1 15440835 343041742 /nfs/dbraw/zinc/04/17/42/343041742.db2.gz BIGRPCKFRKQVLO-STQMWFEESA-N 0 0 190.286 2.877 10 0 AFAERN CCc1ccc([C@H]2CCC[C@@H]2O)cc1 15440837 343041749 /nfs/dbraw/zinc/04/17/49/343041749.db2.gz BIGRPCKFRKQVLO-OLZOCXBDSA-N 0 0 190.286 2.877 10 0 AFAERN CCCCCc1ncc(C)nc1C 15120899 343041754 /nfs/dbraw/zinc/04/17/54/343041754.db2.gz JHECZRZZPVHFGJ-UHFFFAOYSA-N 0 0 178.279 2.826 10 0 AFAERN Cc1ccc([C@@H]2CCC[C@@H]2O)cc1C 15440812 343041755 /nfs/dbraw/zinc/04/17/55/343041755.db2.gz ZDCWRKGLSINLMZ-STQMWFEESA-N 0 0 190.286 2.932 10 0 AFAERN CCc1ccccc1[C@H]1CCC[C@H]1O 15440833 343041853 /nfs/dbraw/zinc/04/18/53/343041853.db2.gz HPMFTPFDSMPWNL-CHWSQXEVSA-N 0 0 190.286 2.877 10 0 AFAERN Cc1cc(C)cc([C@H]2CCC[C@@H]2O)c1 15440821 343041912 /nfs/dbraw/zinc/04/19/12/343041912.db2.gz RTFUOQYIAKJGKU-OLZOCXBDSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1cccc([C@H]2CCC[C@@H]2O)c1 15440898 343042326 /nfs/dbraw/zinc/04/23/26/343042326.db2.gz YMIRSVURTBQGSK-NEPJUHHUSA-N 0 0 176.259 2.623 10 0 AFAERN C/C=C\C(=O)c1ccc(C)cc1 15782912 343042495 /nfs/dbraw/zinc/04/24/95/343042495.db2.gz MBUPPCVGQPATEI-ARJAWSKDSA-N 0 0 160.216 2.754 10 0 AFAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC=O 15773029 343042520 /nfs/dbraw/zinc/04/25/20/343042520.db2.gz XEYZAKCJAFSLGZ-VWYCJHECSA-N 0 0 184.279 2.620 10 0 AFAERN Cc1ccc(C(C)C)cc1C=O 16285060 343043788 /nfs/dbraw/zinc/04/37/88/343043788.db2.gz MHYUKGZOUHPXRQ-UHFFFAOYSA-N 0 0 162.232 2.931 10 0 AFAERN COc1ccccc1/C=C(\C)C(C)=O 16953751 343044942 /nfs/dbraw/zinc/04/49/42/343044942.db2.gz VRMHHUGKIZTMOO-CMDGGOBGSA-N 0 0 190.242 2.688 10 0 AFAERN CCOc1ccoc1C1CC1 18009293 343047989 /nfs/dbraw/zinc/04/79/89/343047989.db2.gz BZIKHSUJGFQSAT-UHFFFAOYSA-N 0 0 152.193 2.556 10 0 AFAERN Cc1ccc(N)c(OC2CCCC2)c1 19517394 343057154 /nfs/dbraw/zinc/05/71/54/343057154.db2.gz IXDLVQRPHVHEDY-UHFFFAOYSA-N 0 0 191.274 2.899 10 0 AFAERN CC[C@H](C)c1ccc(OC)c(N)c1 19864030 343062552 /nfs/dbraw/zinc/06/25/52/343062552.db2.gz DJBAYTRTAUJIRR-QMMMGPOBSA-N 0 0 179.263 2.791 10 0 AFAERN Cc1ccccc1NCC(F)(F)F 20056193 343066812 /nfs/dbraw/zinc/06/68/12/343066812.db2.gz CDYAJSZKFGUPFM-UHFFFAOYSA-N 0 0 189.180 2.969 10 0 AFAERN Cc1nc2cc(NC(C)C)ccc2o1 20144090 343068257 /nfs/dbraw/zinc/06/82/57/343068257.db2.gz SKIGTMIDOSNOQJ-UHFFFAOYSA-N 0 0 190.246 2.957 10 0 AFAERN CCc1ccc2oc(C=O)cc2c1 20389963 343073015 /nfs/dbraw/zinc/07/30/15/343073015.db2.gz RNURCJGYZNAFJF-UHFFFAOYSA-N 0 0 174.199 2.808 10 0 AFAERN C[C@H]1CCCN1c1ccccc1 21995195 343077183 /nfs/dbraw/zinc/07/71/83/343077183.db2.gz QVVAILSOPPPFHW-JTQLQIEISA-N 0 0 161.248 2.675 10 0 AFAERN CCCCCC[C@@H]1C=CC[C@H]1O 22009104 343077778 /nfs/dbraw/zinc/07/77/78/343077778.db2.gz NIHWVOIBKQSVAE-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)N(C)c1ccc(Cl)cc1N 22164478 343079625 /nfs/dbraw/zinc/07/96/25/343079625.db2.gz PZGWYRSEKGSBCV-UHFFFAOYSA-N 0 0 198.697 2.767 10 0 AFAERN CC(C)N(C)c1c(N)cccc1Cl 22162944 343079804 /nfs/dbraw/zinc/07/98/04/343079804.db2.gz IDZZHQJZPQOMFR-UHFFFAOYSA-N 0 0 198.697 2.767 10 0 AFAERN CC(C)N(C)c1ccc(N)cc1Cl 22167167 343079840 /nfs/dbraw/zinc/07/98/40/343079840.db2.gz YLAPATOHSNSZSQ-UHFFFAOYSA-N 0 0 198.697 2.767 10 0 AFAERN Cc1cc(OC2CCCC2)ccc1N 22173429 343080113 /nfs/dbraw/zinc/08/01/13/343080113.db2.gz PNSILPMFOLLCPY-UHFFFAOYSA-N 0 0 191.274 2.899 10 0 AFAERN C[C@H]1O[C@@H]1c1ccc(Cl)cc1 22211726 343080806 /nfs/dbraw/zinc/08/08/06/343080806.db2.gz ULTCUVAEPPZZLR-MUWHJKNJSA-N 0 0 168.623 2.800 10 0 AFAERN C[C@H]1O[C@H]1c1ccc(Cl)cc1 22211731 343080980 /nfs/dbraw/zinc/08/09/80/343080980.db2.gz ULTCUVAEPPZZLR-HZGVNTEJSA-N 0 0 168.623 2.800 10 0 AFAERN Fc1coc2ccccc12 25947941 343087543 /nfs/dbraw/zinc/08/75/43/343087543.db2.gz JGYWACJSZBPNJH-UHFFFAOYSA-N 0 0 136.125 2.572 10 0 AFAERN Cc1cncc(-c2ccc(O)cc2)c1 26271077 343087986 /nfs/dbraw/zinc/08/79/86/343087986.db2.gz JCLNMSZTMDHDET-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1cc(C)c2nc(Cl)ccc2n1 26459273 343088368 /nfs/dbraw/zinc/08/83/68/343088368.db2.gz IDBLTGUJRTWZTQ-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN CC[C@@H]1CNc2cc(N)ccc2S1 26509619 343088788 /nfs/dbraw/zinc/08/87/88/343088788.db2.gz QPNXKCVASYRILF-MRVPVSSYSA-N 0 0 194.303 2.565 10 0 AFAERN CCc1c(-c2ccsc2)noc1N 26512645 343089179 /nfs/dbraw/zinc/08/91/79/343089179.db2.gz PQERPDJXJRXKBT-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN Cc1cnn([C@@H]2CCCC[C@H]2C)c1N 26516525 343089660 /nfs/dbraw/zinc/08/96/60/343089660.db2.gz KMNFSBDKMIDZEZ-PSASIEDQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cnn(C2CCC(C)CC2)c1N 26516529 343089661 /nfs/dbraw/zinc/08/96/61/343089661.db2.gz UPYGOEGWRLENNP-UHFFFAOYSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@@H](C)c1nc2ccc(N)cc2o1 26516417 343089665 /nfs/dbraw/zinc/08/96/65/343089665.db2.gz VLAVWKHDHVNFKV-SSDOTTSWSA-N 0 0 190.246 2.924 10 0 AFAERN CC(C)[C@@H](C)Nc1ccc(F)cc1N 26516630 343089736 /nfs/dbraw/zinc/08/97/36/343089736.db2.gz WQURBPSCTBFKQT-MRVPVSSYSA-N 0 0 196.269 2.864 10 0 AFAERN Cc1cc(-c2ccco2)ccc1N 26544323 343089746 /nfs/dbraw/zinc/08/97/46/343089746.db2.gz DWDRVSYDJWOQCN-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Cc1cnn([C@@H]2CCCC[C@@H]2C)c1N 26516527 343089801 /nfs/dbraw/zinc/08/98/01/343089801.db2.gz KMNFSBDKMIDZEZ-WCBMZHEXSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@H](O)c1c(C)nn(C(C)C)c1C 26546927 343090017 /nfs/dbraw/zinc/09/00/17/343090017.db2.gz BEXYLAVWYKYIPE-JTQLQIEISA-N 0 0 196.294 2.524 10 0 AFAERN CCC(=O)c1c(C)nn(C(C)C)c1C 26545731 343090049 /nfs/dbraw/zinc/09/00/49/343090049.db2.gz LCVDTLROUPCNPG-UHFFFAOYSA-N 0 0 194.278 2.674 10 0 AFAERN CCCCCc1cnc(C)c(C)n1 26667827 343090294 /nfs/dbraw/zinc/09/02/94/343090294.db2.gz VKYMJNLWOOCXDZ-UHFFFAOYSA-N 0 0 178.279 2.826 10 0 AFAERN O=c1ccc2cc3occc3cc2o1 28523855 343091979 /nfs/dbraw/zinc/09/19/79/343091979.db2.gz HFIBDCBPROTZBD-UHFFFAOYSA-N 0 0 186.166 2.539 10 0 AFAERN Cc1cc(C)c(/C=C/[N+](=O)[O-])cc1C 28705370 343092320 /nfs/dbraw/zinc/09/23/20/343092320.db2.gz MRTYGAHXQJJSSR-SNAWJCMRSA-N 0 0 191.230 2.859 10 0 AFAERN Cc1nc(C(C)(C)Cl)oc1C 30678488 343093051 /nfs/dbraw/zinc/09/30/51/343093051.db2.gz UBHDGLGSXXBBBP-UHFFFAOYSA-N 0 0 173.643 2.765 10 0 AFAERN CCNc1ccc(NCC)cc1 31622932 343093819 /nfs/dbraw/zinc/09/38/19/343093819.db2.gz ZEMODTUZIWTRPF-UHFFFAOYSA-N 0 0 164.252 2.550 10 0 AFAERN Cc1ccc(C)c2cnccc12 31667217 343093898 /nfs/dbraw/zinc/09/38/98/343093898.db2.gz DLCIKNQAGXBGGL-UHFFFAOYSA-N 0 0 157.216 2.852 10 0 AFAERN CCc1ccc([C@H]2C[C@H]2C(C)=O)cc1 31829265 343094119 /nfs/dbraw/zinc/09/41/19/343094119.db2.gz PPEQJLFPCXOXSE-QWHCGFSZSA-N 0 0 188.270 2.942 10 0 AFAERN CCc1ccc([C@@H]2C[C@H]2C(C)=O)cc1 31829264 343094401 /nfs/dbraw/zinc/09/44/01/343094401.db2.gz PPEQJLFPCXOXSE-STQMWFEESA-N 0 0 188.270 2.942 10 0 AFAERN CC(C)Cc1nc2ccc(N)cc2o1 31899410 343094918 /nfs/dbraw/zinc/09/49/18/343094918.db2.gz BUQVKOOTNTZMLK-UHFFFAOYSA-N 0 0 190.246 2.609 10 0 AFAERN CCc1cccc(C)c1NC 32005619 343095209 /nfs/dbraw/zinc/09/52/09/343095209.db2.gz GCZMXFHWTJTEJO-UHFFFAOYSA-N 0 0 149.237 2.599 10 0 AFAERN CC(C)[C@@H](O)c1ccc(F)cc1 32006495 343095700 /nfs/dbraw/zinc/09/57/00/343095700.db2.gz NVTZVRJGHWXKET-SNVBAGLBSA-N 0 0 168.211 2.515 10 0 AFAERN Cc1ccc(CC(C)C)cc1N 32006224 343095743 /nfs/dbraw/zinc/09/57/43/343095743.db2.gz KDOUQPUNCASNIR-UHFFFAOYSA-N 0 0 163.264 2.776 10 0 AFAERN CCc1ccc([C@H](O)C(C)C)cc1 32007195 343095949 /nfs/dbraw/zinc/09/59/49/343095949.db2.gz UCWMPHMHTVGVRV-GFCCVEGCSA-N 0 0 178.275 2.938 10 0 AFAERN Cc1cccc(C[C@@H](O)C(C)C)c1 32007221 343095984 /nfs/dbraw/zinc/09/59/84/343095984.db2.gz GNJCZLDAJUWRMR-GFCCVEGCSA-N 0 0 178.275 2.554 10 0 AFAERN Cc1ccc([C@H](O)C(C)C)cc1C 32007196 343096001 /nfs/dbraw/zinc/09/60/01/343096001.db2.gz BUSQKJDAKUINCU-GFCCVEGCSA-N 0 0 178.275 2.993 10 0 AFAERN Cc1ccc(C[C@H](O)C(C)C)cc1 32007223 343096040 /nfs/dbraw/zinc/09/60/40/343096040.db2.gz IYZSCNGOEFLTRJ-LBPRGKRZSA-N 0 0 178.275 2.554 10 0 AFAERN CCCC(=O)c1ccc(N)c(C)c1 32007029 343096054 /nfs/dbraw/zinc/09/60/54/343096054.db2.gz IITSPWFJYKBMPI-UHFFFAOYSA-N 0 0 177.247 2.560 10 0 AFAERN CCc1ccc([C@@H](O)C(C)C)cc1 32007193 343096062 /nfs/dbraw/zinc/09/60/62/343096062.db2.gz UCWMPHMHTVGVRV-LBPRGKRZSA-N 0 0 178.275 2.938 10 0 AFAERN CC[C@H](O)CCCc1ccccc1 32007192 343096070 /nfs/dbraw/zinc/09/60/70/343096070.db2.gz SCKDQLUXYYGYCA-LBPRGKRZSA-N 0 0 178.275 2.780 10 0 AFAERN Cc1cccc(C[C@H](O)C(C)C)c1 32007219 343096105 /nfs/dbraw/zinc/09/61/05/343096105.db2.gz GNJCZLDAJUWRMR-LBPRGKRZSA-N 0 0 178.275 2.554 10 0 AFAERN CC[C@@H](O)CCCc1ccccc1 32007190 343096133 /nfs/dbraw/zinc/09/61/33/343096133.db2.gz SCKDQLUXYYGYCA-GFCCVEGCSA-N 0 0 178.275 2.780 10 0 AFAERN Cc1ccc([C@@H](O)C(C)C)cc1C 32007198 343096214 /nfs/dbraw/zinc/09/62/14/343096214.db2.gz BUSQKJDAKUINCU-LBPRGKRZSA-N 0 0 178.275 2.993 10 0 AFAERN Cc1ncc(-c2cccc(N)c2)s1 32008271 343096332 /nfs/dbraw/zinc/09/63/32/343096332.db2.gz IVLAZLJOLYAJOE-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ncc(-c2ccc(N)cc2)s1 32008273 343096507 /nfs/dbraw/zinc/09/65/07/343096507.db2.gz CBZRAHHJPLEVLY-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCC(=O)CCOc1ccc(F)cc1 32009335 343096786 /nfs/dbraw/zinc/09/67/86/343096786.db2.gz RPYPBKTYTDGQML-UHFFFAOYSA-N 0 0 196.221 2.574 10 0 AFAERN Cc1cc(C)c2cc(C)c(N)nc2c1 32099265 343097589 /nfs/dbraw/zinc/09/75/89/343097589.db2.gz JRYRFZXMFGMVBJ-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN CCc1cc2cccc(C)c2nc1N 32099279 343097737 /nfs/dbraw/zinc/09/77/37/343097737.db2.gz GMNGAEIMTYHDIT-UHFFFAOYSA-N 0 0 186.258 2.688 10 0 AFAERN Cc1cc(C)c2nc(N)c(C)cc2c1 32099268 343097747 /nfs/dbraw/zinc/09/77/47/343097747.db2.gz DEEBQHSEAJQMFR-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN CCc1cc2cc(F)ccc2nc1N 32099273 343097750 /nfs/dbraw/zinc/09/77/50/343097750.db2.gz LAWSBOUBTJDOND-UHFFFAOYSA-N 0 0 190.221 2.519 10 0 AFAERN CCc1cc2ccc(F)cc2nc1N 32099276 343097820 /nfs/dbraw/zinc/09/78/20/343097820.db2.gz SHCPQHCXYKNUSS-UHFFFAOYSA-N 0 0 190.221 2.519 10 0 AFAERN CCc1cc2cc(C)ccc2nc1N 32099275 343097848 /nfs/dbraw/zinc/09/78/48/343097848.db2.gz LHUQPNJMDOGXGY-UHFFFAOYSA-N 0 0 186.258 2.688 10 0 AFAERN Cc1cnc(CCC(C)C)c(C)n1 32146116 343098088 /nfs/dbraw/zinc/09/80/88/343098088.db2.gz ZVLSVDOZUWIUIJ-UHFFFAOYSA-N 0 0 178.279 2.682 10 0 AFAERN CCCCC[C@](C)(CC)NC(C)=O 32136788 343098094 /nfs/dbraw/zinc/09/80/94/343098094.db2.gz FHJMVYAEQQIRGZ-NSHDSACASA-N 0 0 185.311 2.872 10 0 AFAERN CCCCC[C@@](C)(CC)NC(C)=O 32136787 343098095 /nfs/dbraw/zinc/09/80/95/343098095.db2.gz FHJMVYAEQQIRGZ-LLVKDONJSA-N 0 0 185.311 2.872 10 0 AFAERN CC[C@H](C)Cc1ncc(C)nc1C 32146123 343098142 /nfs/dbraw/zinc/09/81/42/343098142.db2.gz QCYKDMGIICAOSJ-QMMMGPOBSA-N 0 0 178.279 2.682 10 0 AFAERN CCCCc1ncc(C)s1 32136598 343098224 /nfs/dbraw/zinc/09/82/24/343098224.db2.gz FCMSADORJFIRBT-UHFFFAOYSA-N 0 0 155.266 2.794 10 0 AFAERN Cc1ccc(C(C)(C)C)c(N)c1 32139807 343098230 /nfs/dbraw/zinc/09/82/30/343098230.db2.gz FTOZGMHUVVLXHM-UHFFFAOYSA-N 0 0 163.264 2.875 10 0 AFAERN CCc1cscc1CC 32152670 343098550 /nfs/dbraw/zinc/09/85/50/343098550.db2.gz KWMRVTDUWMBHRV-UHFFFAOYSA-N 0 0 140.251 2.873 10 0 endogenous,in-man AFAERN CC(=O)OC1=C(C)CCC[C@@H]1C 32153697 343098569 /nfs/dbraw/zinc/09/85/69/343098569.db2.gz KYCWEGRYYVNZLT-ZETCQYMHSA-N 0 0 168.236 2.644 10 0 AFAERN CCCC[C@@H](C)CCC(=O)OC 32149907 343098578 /nfs/dbraw/zinc/09/85/78/343098578.db2.gz MGQFXJXUQLOUMY-SECBINFHSA-N 0 0 172.268 2.766 10 0 AFAERN CCOC(=O)C1CC(C(C)(C)C)C1 32149720 343098595 /nfs/dbraw/zinc/09/85/95/343098595.db2.gz NDKCMUOLZJVCTI-UHFFFAOYSA-N 0 0 184.279 2.622 10 0 AFAERN CC(=O)OC1=C(C)CCC[C@H]1C 32153692 343098624 /nfs/dbraw/zinc/09/86/24/343098624.db2.gz KYCWEGRYYVNZLT-SSDOTTSWSA-N 0 0 168.236 2.644 10 0 AFAERN CCCC[C@H](C)CCC(=O)OC 32149911 343098729 /nfs/dbraw/zinc/09/87/29/343098729.db2.gz MGQFXJXUQLOUMY-VIFPVBQESA-N 0 0 172.268 2.766 10 0 AFAERN CC1(C)CCC(=O)NCC(C)(C)CC1 32156030 343098880 /nfs/dbraw/zinc/09/88/80/343098880.db2.gz ZZJFBPLJCWJWQD-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCc1ccc(O)cc1CC 32156279 343098897 /nfs/dbraw/zinc/09/88/97/343098897.db2.gz SEAZSNZFNABEMJ-UHFFFAOYSA-N 0 0 150.221 2.517 10 0 in-vitro AFAERN COc1ccc(C)c(C)c1C 32162411 343098902 /nfs/dbraw/zinc/09/89/02/343098902.db2.gz LPWNOAFKRVPOEC-UHFFFAOYSA-N 0 0 150.221 2.620 10 0 AFAERN CCc1cnc(C)cc1CC 32162389 343098918 /nfs/dbraw/zinc/09/89/18/343098918.db2.gz CQOVHGCXVHWHBM-UHFFFAOYSA-N 0 0 149.237 2.515 10 0 AFAERN CCOC(=O)C(C)(C)C(C)(C)C 32161230 343099066 /nfs/dbraw/zinc/09/90/66/343099066.db2.gz ISDTWPKODWTCFS-UHFFFAOYSA-N 0 0 172.268 2.622 10 0 AFAERN CCCC[C@](C)(CC)C(=O)OC 32165535 343099275 /nfs/dbraw/zinc/09/92/75/343099275.db2.gz YEWZFIGYPGLHLR-JTQLQIEISA-N 0 0 172.268 2.766 10 0 AFAERN CCCc1ncc(CC)s1 32164389 343099319 /nfs/dbraw/zinc/09/93/19/343099319.db2.gz FFSVZIJNSJWNNS-UHFFFAOYSA-N 0 0 155.266 2.658 10 0 AFAERN C=Cc1ccc(C)s1 32166366 343099363 /nfs/dbraw/zinc/09/93/63/343099363.db2.gz ZDSXWSYLVMUDHI-UHFFFAOYSA-N 0 0 124.208 2.700 10 0 AFAERN CCCC[C@@](C)(CC)C(=O)OC 32165533 343099509 /nfs/dbraw/zinc/09/95/09/343099509.db2.gz YEWZFIGYPGLHLR-SNVBAGLBSA-N 0 0 172.268 2.766 10 0 AFAERN Cc1cc(C)cc(OC(=O)C(C)C)c1 32180487 343099719 /nfs/dbraw/zinc/09/97/19/343099719.db2.gz UOOFSZVGPNDGKG-UHFFFAOYSA-N 0 0 192.258 2.865 10 0 AFAERN C[C@]1(O)CCCCC12CCCC2 32171801 343099738 /nfs/dbraw/zinc/09/97/38/343099738.db2.gz FMWYGDCRQTUHJN-JTQLQIEISA-N 0 0 168.280 2.872 10 0 AFAERN Cc1ccnc2sccc12 32190005 343100090 /nfs/dbraw/zinc/10/00/90/343100090.db2.gz MYNYJERSLRKIOE-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN CCOC(=O)/C=C\c1cccc(C)c1 32188779 343100108 /nfs/dbraw/zinc/10/01/08/343100108.db2.gz QQRJPDCUZPIHFK-FPLPWBNLSA-N 0 0 190.242 2.571 10 0 AFAERN CN(C)c1cccc2c1CCCC2 32199408 343100609 /nfs/dbraw/zinc/10/06/09/343100609.db2.gz YFKHVDPZKCGFJD-UHFFFAOYSA-N 0 0 175.275 2.631 10 0 AFAERN C[C@H](CC(C)(C)O)c1ccccc1 32211855 343100875 /nfs/dbraw/zinc/10/08/75/343100875.db2.gz MVHKZRXHGKXNDP-SNVBAGLBSA-N 0 0 178.275 2.951 10 0 AFAERN CCc1ccc2cccc(O)c2n1 32211092 343100930 /nfs/dbraw/zinc/10/09/30/343100930.db2.gz HJMQAQTWIKXWIZ-UHFFFAOYSA-N 0 0 173.215 2.503 10 0 AFAERN CC(C)c1nc(Cl)c(Cl)[nH]1 32202960 343100983 /nfs/dbraw/zinc/10/09/83/343100983.db2.gz BLTWATTXUZKZPB-UHFFFAOYSA-N 0 0 179.050 2.840 10 0 AFAERN C[C@@H](CC(C)(C)O)c1ccccc1 32211850 343100987 /nfs/dbraw/zinc/10/09/87/343100987.db2.gz MVHKZRXHGKXNDP-JTQLQIEISA-N 0 0 178.275 2.951 10 0 AFAERN Cc1nc(-c2ccccc2)c(C)o1 32211624 343100991 /nfs/dbraw/zinc/10/09/91/343100991.db2.gz IZYMNAPMPOVXPP-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1cc(C=O)c(C)c(C)c1C 32201816 343101027 /nfs/dbraw/zinc/10/10/27/343101027.db2.gz FPGFFHDGDXFAIT-UHFFFAOYSA-N 0 0 162.232 2.733 10 0 AFAERN CCC/C=C/CO[C@@H](C)OCC 32219590 343101235 /nfs/dbraw/zinc/10/12/35/343101235.db2.gz UMAFJFXCURZISP-JARNTUPDSA-N 0 0 172.268 2.742 10 0 AFAERN CCC/C=C/CO[C@H](C)OCC 32219592 343101388 /nfs/dbraw/zinc/10/13/88/343101388.db2.gz UMAFJFXCURZISP-QROSGCPLSA-N 0 0 172.268 2.742 10 0 AFAERN CCC(C)(C)[C@@H]1CCC(=O)C1 32218780 343101389 /nfs/dbraw/zinc/10/13/89/343101389.db2.gz FFMFNTCHCSZACM-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC[C@@H]1CCC(=O)C1 32227301 343101555 /nfs/dbraw/zinc/10/15/55/343101555.db2.gz OZACSKDSZFGTAY-MRVPVSSYSA-N 0 0 140.226 2.546 10 0 AFAERN OCCCC=C1CCCCC1 32225713 343101598 /nfs/dbraw/zinc/10/15/98/343101598.db2.gz IGVJWGCJYWLRAC-UHFFFAOYSA-N 0 0 154.253 2.649 10 0 AFAERN O=C(OC1CCC1)C1CCCCC1 32227899 343101708 /nfs/dbraw/zinc/10/17/08/343101708.db2.gz OXXKSPMGUPQXIN-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CCCC[C@H]1CCC(=O)C1 32227303 343101735 /nfs/dbraw/zinc/10/17/35/343101735.db2.gz OZACSKDSZFGTAY-QMMMGPOBSA-N 0 0 140.226 2.546 10 0 AFAERN COc1ccccc1Cc1ccncc1 32234473 343101780 /nfs/dbraw/zinc/10/17/80/343101780.db2.gz DKQCOVWISMHGLU-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN CC1=C[C@H]2[C@@H](C[C@H]1[C@@H](C)O)C2(C)C 32297988 343101883 /nfs/dbraw/zinc/10/18/83/343101883.db2.gz BOLINPLOSJXBAC-CHWFTXMASA-N 0 0 180.291 2.606 10 0 AFAERN CCc1nc2ccc(OC)cc2s1 32297492 343102056 /nfs/dbraw/zinc/10/20/56/343102056.db2.gz FODBYDGJZCABRE-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN Cc1cc(F)nc2ccccc12 32298498 343102059 /nfs/dbraw/zinc/10/20/59/343102059.db2.gz IFRMRTJBELSCHL-UHFFFAOYSA-N 0 0 161.179 2.682 10 0 AFAERN CCOc1cncc2ccccc12 32299973 343102155 /nfs/dbraw/zinc/10/21/55/343102155.db2.gz BKVHNUSGPBJECE-UHFFFAOYSA-N 0 0 173.215 2.634 10 0 AFAERN Cc1ccc2ncnc(NC3CC3)c2c1 32540835 343102727 /nfs/dbraw/zinc/10/27/27/343102727.db2.gz UXMPPDRYIGVDCR-UHFFFAOYSA-N 0 0 199.257 2.513 10 0 AFAERN CCCC[C@@H](C)CCCO 33506404 343105016 /nfs/dbraw/zinc/10/50/16/343105016.db2.gz MWWKESKJRHQWEF-SECBINFHSA-N 0 0 144.258 2.585 10 0 AFAERN Cc1ccc(Cc2ccccc2)nc1 33605182 343105408 /nfs/dbraw/zinc/10/54/08/343105408.db2.gz QCVFCEOANGWDQI-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN C[C@H](O)C[C@@H](C)c1ccccc1 33606744 343105468 /nfs/dbraw/zinc/10/54/68/343105468.db2.gz LPZYYWRJFDZTJI-ZJUUUORDSA-N 0 0 164.248 2.561 10 0 AFAERN CC(C)CC[C@@H](C=O)C(C)C 33605466 343105472 /nfs/dbraw/zinc/10/54/72/343105472.db2.gz STZPMOIAPWTLNJ-JTQLQIEISA-N 0 0 156.269 2.894 10 0 AFAERN Cc1cncc(Cc2ccccc2)c1 33606447 343105480 /nfs/dbraw/zinc/10/54/80/343105480.db2.gz UCWQMPICSBZRLS-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN CCCCCCn1cccc1C=O 33508897 343105496 /nfs/dbraw/zinc/10/54/96/343105496.db2.gz BAEZHTTVEHYMSG-UHFFFAOYSA-N 0 0 179.263 2.881 10 0 AFAERN C[C@H](O)C[C@H](C)c1ccccc1 33606748 343105505 /nfs/dbraw/zinc/10/55/05/343105505.db2.gz LPZYYWRJFDZTJI-UWVGGRQHSA-N 0 0 164.248 2.561 10 0 AFAERN CC(C)CC[C@H](C=O)C(C)C 33605468 343105514 /nfs/dbraw/zinc/10/55/14/343105514.db2.gz STZPMOIAPWTLNJ-SNVBAGLBSA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@H](C)Cc1ccccn1 33606864 343105522 /nfs/dbraw/zinc/10/55/22/343105522.db2.gz DWJZUJQFGRPDRD-VIFPVBQESA-N 0 0 149.237 2.670 10 0 AFAERN Cc1cc(C(C)(C)C)c(N)c(C)c1N 33607811 343105523 /nfs/dbraw/zinc/10/55/23/343105523.db2.gz MOSVLZUJVNSVIZ-UHFFFAOYSA-N 0 0 192.306 2.765 10 0 AFAERN CC[C@H](C)C[C@@H](C)CCCO 33605480 343105526 /nfs/dbraw/zinc/10/55/26/343105526.db2.gz JOWDWXPTKVUHBV-UWVGGRQHSA-N 0 0 158.285 2.831 10 0 AFAERN Cc1ccc([C@@H](O)C2CC2)c(C)c1 33607374 343105587 /nfs/dbraw/zinc/10/55/87/343105587.db2.gz OWFYESAAHVXGKO-LBPRGKRZSA-N 0 0 176.259 2.747 10 0 AFAERN CCCCC(C)(C)C(=O)OCC 33637547 343105729 /nfs/dbraw/zinc/10/57/29/343105729.db2.gz LFKWULYOKKJLPP-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN CC(C)Cc1cnc2ccccc2n1 33608454 343105751 /nfs/dbraw/zinc/10/57/51/343105751.db2.gz AZIKLVKMNRNGPH-UHFFFAOYSA-N 0 0 186.258 2.828 10 0 AFAERN CCC[C@](C)(CO)c1ccccc1 33608509 343105776 /nfs/dbraw/zinc/10/57/76/343105776.db2.gz OWEDJRDRHPIFFO-GFCCVEGCSA-N 0 0 178.275 2.737 10 0 AFAERN CCC(C)(CC)CCCCO 33608869 343105842 /nfs/dbraw/zinc/10/58/42/343105842.db2.gz TYFNQJAGNXQNCT-UHFFFAOYSA-N 0 0 158.285 2.975 10 0 AFAERN CCC[C@@](C)(CO)c1ccccc1 33608507 343105910 /nfs/dbraw/zinc/10/59/10/343105910.db2.gz OWEDJRDRHPIFFO-LBPRGKRZSA-N 0 0 178.275 2.737 10 0 AFAERN CON1C(C)(C)CCCC1(C)C 33690273 343106109 /nfs/dbraw/zinc/10/61/09/343106109.db2.gz WJGXRWDDBFOGEK-UHFFFAOYSA-N 0 0 171.284 2.591 10 0 AFAERN FCSc1ccccc1 33822681 343106407 /nfs/dbraw/zinc/10/64/07/343106407.db2.gz ZDJQWFUQFDIBLS-UHFFFAOYSA-N 0 0 142.198 2.706 10 0 AFAERN C/C=C/c1ccccc1OC 33822810 343106739 /nfs/dbraw/zinc/10/67/39/343106739.db2.gz SQNQPRDLKOZZJK-ZZXKWVIFSA-N 0 0 148.205 2.728 10 0 AFAERN Cc1cc(O)cc(Cl)c1C 33835557 343106926 /nfs/dbraw/zinc/10/69/26/343106926.db2.gz PNFOXSBXYSADIB-UHFFFAOYSA-N 0 0 156.612 2.662 10 0 AFAERN CC/C=C\c1cccnc1 33838476 343107015 /nfs/dbraw/zinc/10/70/15/343107015.db2.gz KTXMSWAHSUYOHZ-HYXAFXHYSA-N 0 0 133.194 2.505 10 0 AFAERN CC(=O)OC/C(F)=C\c1ccccc1 33840215 343107029 /nfs/dbraw/zinc/10/70/29/343107029.db2.gz WMOPGNJNLNIWRQ-YRNVUSSQSA-N 0 0 194.205 2.560 10 0 AFAERN Cc1cc(Cl)cc(O)c1C 33835558 343107151 /nfs/dbraw/zinc/10/71/51/343107151.db2.gz OLWZDHUWWOQLGO-UHFFFAOYSA-N 0 0 156.612 2.662 10 0 AFAERN C/C=C/c1cccs1 33844677 343107195 /nfs/dbraw/zinc/10/71/95/343107195.db2.gz NQAAVWYIMDCXDL-DUXPYHPUSA-N 0 0 124.208 2.781 10 0 AFAERN C/C=C/[C@H](O)CCc1ccccc1 33841891 343107280 /nfs/dbraw/zinc/10/72/80/343107280.db2.gz LPEOSCXPDHOVJA-QSLRECBCSA-N 0 0 176.259 2.556 10 0 AFAERN CC[C@H]1N=C(c2ccccc2)CS1 33854909 343107283 /nfs/dbraw/zinc/10/72/83/343107283.db2.gz JRXFVLUCHMVXKI-NSHDSACASA-N 0 0 191.299 2.959 10 0 AFAERN CCC(=O)[C@@H](C)[C@@H](C)CC 33841870 343107318 /nfs/dbraw/zinc/10/73/18/343107318.db2.gz IRIIDIBXOJRBDH-YUMQZZPRSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@@H]1N=C(c2ccccc2)CS1 33854907 343107363 /nfs/dbraw/zinc/10/73/63/343107363.db2.gz JRXFVLUCHMVXKI-LLVKDONJSA-N 0 0 191.299 2.959 10 0 AFAERN CC/C=C/C(=O)Nc1ccccc1 33843066 343107384 /nfs/dbraw/zinc/10/73/84/343107384.db2.gz BGGUENFHIZUANN-YCRREMRBSA-N 0 0 175.231 2.591 10 0 AFAERN C/C=C/[C@@H](O)CCc1ccccc1 33841892 343107489 /nfs/dbraw/zinc/10/74/89/343107489.db2.gz LPEOSCXPDHOVJA-RDNKVPPGSA-N 0 0 176.259 2.556 10 0 AFAERN CC(C)[C@@H]1C=NC(C)(C)S1 33883243 343107645 /nfs/dbraw/zinc/10/76/45/343107645.db2.gz CHTYSFVNXZOVQI-ZETCQYMHSA-N 0 0 157.282 2.565 10 0 AFAERN CC(C)[C@H]1C=NC(C)(C)S1 33883244 343107671 /nfs/dbraw/zinc/10/76/71/343107671.db2.gz CHTYSFVNXZOVQI-SSDOTTSWSA-N 0 0 157.282 2.565 10 0 AFAERN CCCCOC(=O)OCC(C)C 33944119 343107874 /nfs/dbraw/zinc/10/78/74/343107874.db2.gz USKRHFHDJIMKIB-UHFFFAOYSA-N 0 0 174.240 2.596 10 0 AFAERN O=C1CCS[C@H](c2ccccc2)C1 33945325 343107878 /nfs/dbraw/zinc/10/78/78/343107878.db2.gz SZZXUCKDAISHMJ-NSHDSACASA-N 0 0 192.283 2.824 10 0 AFAERN Cc1ccccc1[C@H]1NCCCS1 33876552 343107896 /nfs/dbraw/zinc/10/78/96/343107896.db2.gz VCZYVPIGUBNQNP-NSHDSACASA-N 0 0 193.315 2.720 10 0 AFAERN O=C1CCS[C@@H](c2ccccc2)C1 33945326 343107930 /nfs/dbraw/zinc/10/79/30/343107930.db2.gz SZZXUCKDAISHMJ-LLVKDONJSA-N 0 0 192.283 2.824 10 0 AFAERN Cc1cc(C)c(CC[C@H](C)O)c(C)c1 33951067 343108058 /nfs/dbraw/zinc/10/80/58/343108058.db2.gz HAIYXQAXONYOHC-LBPRGKRZSA-N 0 0 192.302 2.925 10 0 AFAERN CCCCCC1=NC[C@H](C)N=C1C 33951720 343108062 /nfs/dbraw/zinc/10/80/62/343108062.db2.gz GWJHFKSBVJBUAR-VIFPVBQESA-N 0 0 180.295 2.871 10 0 AFAERN CCCCCC1=N[C@H](C)CN=C1C 33951736 343108067 /nfs/dbraw/zinc/10/80/67/343108067.db2.gz WGZOVGGCHYCMNG-SECBINFHSA-N 0 0 180.295 2.871 10 0 AFAERN Cc1cc(C)c(CC[C@@H](C)O)c(C)c1 33951066 343108150 /nfs/dbraw/zinc/10/81/50/343108150.db2.gz HAIYXQAXONYOHC-GFCCVEGCSA-N 0 0 192.302 2.925 10 0 AFAERN CCCc1sc(CC)nc1C 33951068 343108156 /nfs/dbraw/zinc/10/81/56/343108156.db2.gz SRVOSKQWHYHPGF-UHFFFAOYSA-N 0 0 169.293 2.966 10 0 AFAERN C/C=C(/C)C(=O)OC[C@@H](C)CC 33949625 343108158 /nfs/dbraw/zinc/10/81/58/343108158.db2.gz DEJJNOHKWLTTKE-HWPCKVLBSA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)C1CCC2(CCC(=O)O2)CC1 33986100 343108551 /nfs/dbraw/zinc/10/85/51/343108551.db2.gz VPSQYLNVIBQLTO-UHFFFAOYSA-N 0 0 196.290 2.908 10 0 AFAERN c1ccc2cc(-c3cn[nH]n3)ccc2c1 33966270 343108631 /nfs/dbraw/zinc/10/86/31/343108631.db2.gz PDROOAHEPLEAFQ-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN O=Cc1c(F)c(F)cc(F)c1Cl 34027512 343108750 /nfs/dbraw/zinc/10/87/50/343108750.db2.gz BOOZYQMXXVRWGB-UHFFFAOYSA-N 0 0 194.539 2.570 10 0 AFAERN O=Cc1c(Cl)cc(F)c(F)c1F 34017033 343108766 /nfs/dbraw/zinc/10/87/66/343108766.db2.gz NHVFNTZGCFELBI-UHFFFAOYSA-N 0 0 194.539 2.570 10 0 AFAERN Cc1cc(N)ncc1-c1ccccc1 34016952 343108856 /nfs/dbraw/zinc/10/88/56/343108856.db2.gz PIXDYAGUVDENDG-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCc1nc(Cl)sc1C 34016821 343109029 /nfs/dbraw/zinc/10/90/29/343109029.db2.gz SJHBRTDXWLZABU-UHFFFAOYSA-N 0 0 161.657 2.667 10 0 AFAERN CCc1c(O)ccc2c1CCCC2 34060818 343109239 /nfs/dbraw/zinc/10/92/39/343109239.db2.gz HIOGQCOVPOXABP-UHFFFAOYSA-N 0 0 176.259 2.833 10 0 AFAERN CC[C@H](C)C(=O)c1ccc(C)o1 34069341 343109353 /nfs/dbraw/zinc/10/93/53/343109353.db2.gz NIPYOUITMJTPBC-ZETCQYMHSA-N 0 0 166.220 2.817 10 0 AFAERN CC(C)[C@@]1(O)CCCC[C@H]1C 34060514 343109410 /nfs/dbraw/zinc/10/94/10/343109410.db2.gz UKBWXNXBIGLPIY-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN COc1ccc(/C=C/C(C)=N/O)cc1 34061148 343109433 /nfs/dbraw/zinc/10/94/33/343109433.db2.gz JATSDCQPCYIGTE-GMHKHPCXSA-N 0 0 191.230 2.559 10 0 AFAERN O=c1ccc2c(ccc3occc32)o1 34065038 343109458 /nfs/dbraw/zinc/10/94/58/343109458.db2.gz ZHXGWBPOSIDCII-UHFFFAOYSA-N 0 0 186.166 2.539 10 0 AFAERN Cc1cc(N)cnc1-c1ccccc1 34071655 343109753 /nfs/dbraw/zinc/10/97/53/343109753.db2.gz VADWWINIMUNKLW-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC1(C)CCCC(C)(C)N1C#N 34071310 343109902 /nfs/dbraw/zinc/10/99/02/343109902.db2.gz WPCWUEISJWSWPX-UHFFFAOYSA-N 0 0 166.268 2.511 10 0 AFAERN Cc1ccc(C2CC2)c(O)c1 34099042 343110099 /nfs/dbraw/zinc/11/00/99/343110099.db2.gz QTQLNWRWDNVXCA-UHFFFAOYSA-N 0 0 148.205 2.578 10 0 AFAERN S=c1[nH]sc2ccccc12 34091435 343110141 /nfs/dbraw/zinc/11/01/41/343110141.db2.gz YJJMBWKVCPBJDJ-UHFFFAOYSA-N 0 0 167.258 2.585 10 0 AFAERN O=Cc1cc(Cl)c(F)c(F)c1F 34090731 343110206 /nfs/dbraw/zinc/11/02/06/343110206.db2.gz FLFHKEPFQPBDPK-UHFFFAOYSA-N 0 0 194.539 2.570 10 0 AFAERN C[C@H](CO)c1cccc2ccccc12 34101930 343110528 /nfs/dbraw/zinc/11/05/28/343110528.db2.gz YZMWRFOKAISJQX-SNVBAGLBSA-N 0 0 186.254 2.936 10 0 AFAERN CC(=O)C(C)(C)c1ccc(C)cc1 34102320 343110565 /nfs/dbraw/zinc/11/05/65/343110565.db2.gz ZIYLSBHBLCBTJB-UHFFFAOYSA-N 0 0 176.259 2.862 10 0 AFAERN CC1(C)Cc2cc(Cl)cc(O)c2O1 34101124 343110699 /nfs/dbraw/zinc/11/06/99/343110699.db2.gz ZWCOUCOUSVSBAW-UHFFFAOYSA-N 0 0 198.649 2.759 10 0 AFAERN CC(C)(C)Cc1cccc(O)c1 34104220 343110702 /nfs/dbraw/zinc/11/07/02/343110702.db2.gz WAVIOQCZDDYAFE-UHFFFAOYSA-N 0 0 164.248 2.981 10 0 AFAERN Cc1cc(-c2ccccn2)ccc1N 34115806 343110839 /nfs/dbraw/zinc/11/08/39/343110839.db2.gz GDMAKTWTGSIEJZ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCCC/C=C/[C@@H](O)C(C)C 34115354 343110845 /nfs/dbraw/zinc/11/08/45/343110845.db2.gz AUEQPIZSOLDCTM-QROSGCPLSA-N 0 0 156.269 2.750 10 0 AFAERN CCOP(=O)(OCC)OC(C)C 34111995 343110955 /nfs/dbraw/zinc/11/09/55/343110955.db2.gz DOLOQFUIBXRBTH-UHFFFAOYSA-N 0 0 196.183 2.593 10 0 AFAERN CCN(CC)[P@]1(=O)CC=C(C)C1 34111674 343110968 /nfs/dbraw/zinc/11/09/68/343110968.db2.gz POVOZGZDRWNCNN-LBPRGKRZSA-N 0 0 187.223 2.566 10 0 AFAERN CCC(=O)c1ccc(Cl)cc1N 34115794 343110974 /nfs/dbraw/zinc/11/09/74/343110974.db2.gz YABYXAWZGJPZLH-UHFFFAOYSA-N 0 0 183.638 2.515 10 0 AFAERN CCCC/C=C/[C@H](O)C(C)C 34115353 343110990 /nfs/dbraw/zinc/11/09/90/343110990.db2.gz AUEQPIZSOLDCTM-JARNTUPDSA-N 0 0 156.269 2.750 10 0 AFAERN C[C@]12CCC[C@](C)(CC1)C2OC=O 34121838 343111394 /nfs/dbraw/zinc/11/13/94/343111394.db2.gz WDZYJGQARPJWOY-FGWVZKOKSA-N 0 0 182.263 2.518 10 0 AFAERN COc1cc(C)c(C)cc1C 34128264 343111399 /nfs/dbraw/zinc/11/13/99/343111399.db2.gz UNEZMMWAAMQSBE-UHFFFAOYSA-N 0 0 150.221 2.620 10 0 AFAERN FC(F)(F)OCc1ccccc1 34144345 343111712 /nfs/dbraw/zinc/11/17/12/343111712.db2.gz PHWCIAXBHRPPTP-UHFFFAOYSA-N 0 0 176.137 2.723 10 0 AFAERN CCc1ccc2[nH]c(=S)[nH]c2c1 34144146 343111804 /nfs/dbraw/zinc/11/18/04/343111804.db2.gz NJRBUUGDGJGJRN-UHFFFAOYSA-N 0 0 178.260 2.788 10 0 AFAERN Cc1nc2cccc(C)c2s1 34156552 343111894 /nfs/dbraw/zinc/11/18/94/343111894.db2.gz SIWLOEHFEYDEDR-UHFFFAOYSA-N 0 0 163.245 2.913 10 0 AFAERN Cc1ccncc1Cc1ccccc1 34153886 343111960 /nfs/dbraw/zinc/11/19/60/343111960.db2.gz VJBXDBWLDQDBPG-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN CC(=O)/C=C/CSc1ccccc1 34153852 343112064 /nfs/dbraw/zinc/11/20/64/343112064.db2.gz OTQGRUKQHMJUAY-AATRIKPKSA-N 0 0 192.283 2.924 10 0 AFAERN Cc1ccc2ccccc2c1CO 34153779 343112071 /nfs/dbraw/zinc/11/20/71/343112071.db2.gz HZFBCINSFDDVLU-UHFFFAOYSA-N 0 0 172.227 2.641 10 0 AFAERN Cc1ccc(-c2ccnc(N)c2)cc1 34153408 343112134 /nfs/dbraw/zinc/11/21/34/343112134.db2.gz KVJYLEJIPNIGNF-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN COc1ccc(C)c(NC(C)C)c1 34156289 343112168 /nfs/dbraw/zinc/11/21/68/343112168.db2.gz PXSZUXHSFSJBFS-UHFFFAOYSA-N 0 0 179.263 2.824 10 0 AFAERN CCc1ccc(C=O)cc1CC 34173739 343112456 /nfs/dbraw/zinc/11/24/56/343112456.db2.gz PESMWOHGMYYFNF-UHFFFAOYSA-N 0 0 162.232 2.624 10 0 AFAERN CC(=O)c1oc2cccc(O)c2c1C 34168245 343112502 /nfs/dbraw/zinc/11/25/02/343112502.db2.gz RLEZWHAJDCISGW-UHFFFAOYSA-N 0 0 190.198 2.649 10 0 AFAERN C=CC[C@@H]1C(=O)CCc2ccccc21 34179929 343112787 /nfs/dbraw/zinc/11/27/87/343112787.db2.gz SUEKMMNGOMGREF-LBPRGKRZSA-N 0 0 186.254 2.862 10 0 AFAERN CCc1cc(C)c(OC)cc1C 34189392 343112795 /nfs/dbraw/zinc/11/27/95/343112795.db2.gz AQMYXWZOAKWJBQ-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN Cc1ccc(-c2ccccn2)c(N)c1 34188720 343112798 /nfs/dbraw/zinc/11/27/98/343112798.db2.gz SVLYCKJEIREHJO-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN C=CC[C@H]1C(=O)CCc2ccccc21 34179928 343112899 /nfs/dbraw/zinc/11/28/99/343112899.db2.gz SUEKMMNGOMGREF-GFCCVEGCSA-N 0 0 186.254 2.862 10 0 AFAERN C[C@H]1CCCC[C@]1(O)C(C)(C)C 34179613 343112996 /nfs/dbraw/zinc/11/29/96/343112996.db2.gz KSUMYINEFMZGFM-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN N#CNc1ccc2ccccc2c1 34195760 343113275 /nfs/dbraw/zinc/11/32/75/343113275.db2.gz ZKBKZMHZLLGFLS-UHFFFAOYSA-N 0 0 168.199 2.733 10 0 AFAERN C[C@H]1OC(C)(C)O[C@@H]1c1ccccc1 34216614 343113652 /nfs/dbraw/zinc/11/36/52/343113652.db2.gz XHBYNHZRKPAKRJ-KOLCDFICSA-N 0 0 192.258 2.899 10 0 AFAERN CCCc1c(N)cccc1Cl 34205388 343113790 /nfs/dbraw/zinc/11/37/90/343113790.db2.gz WPYGEGUIGYISJW-UHFFFAOYSA-N 0 0 169.655 2.875 10 0 AFAERN CC(=O)O[C@@H](C)/C=C/c1ccccc1 34216550 343113828 /nfs/dbraw/zinc/11/38/28/343113828.db2.gz DSWDNUYFUXOVBI-DDXVTDLHSA-N 0 0 190.242 2.651 10 0 AFAERN CC(=O)O[C@H](C)/C=C/c1ccccc1 34216551 343113831 /nfs/dbraw/zinc/11/38/31/343113831.db2.gz DSWDNUYFUXOVBI-AAXQSMANSA-N 0 0 190.242 2.651 10 0 AFAERN Cc1c(N)cccc1C(C)C 34215151 343113853 /nfs/dbraw/zinc/11/38/53/343113853.db2.gz MRRMWDRBFHYYLS-UHFFFAOYSA-N 0 0 149.237 2.701 10 0 AFAERN Cc1cc(C(=O)C(C)C)c(C)o1 34224789 343114290 /nfs/dbraw/zinc/11/42/90/343114290.db2.gz NINLXNRSCCYNCD-UHFFFAOYSA-N 0 0 166.220 2.735 10 0 AFAERN CC(C)=CC(=O)COc1ccccc1 34246681 343114410 /nfs/dbraw/zinc/11/44/10/343114410.db2.gz FATIKYVBRMQDEY-UHFFFAOYSA-N 0 0 190.242 2.601 10 0 AFAERN CCCC/C=C/[C@H]1CCCC(=O)O1 34246986 343114520 /nfs/dbraw/zinc/11/45/20/343114520.db2.gz ZUXLDWJHFXULGX-STUBTGCMSA-N 0 0 182.263 2.829 10 0 AFAERN COC(=O)c1cccc2cc(C)oc12 34253326 343114665 /nfs/dbraw/zinc/11/46/65/343114665.db2.gz ZHCCFARDUKDLOI-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN CC(C)CCCC/C=C\CO 34277847 343115285 /nfs/dbraw/zinc/11/52/85/343115285.db2.gz HSAXYAYTQBLHDQ-ALCCZGGFSA-N 0 0 156.269 2.751 10 0 AFAERN c1cnc(C2CCCCC2)cn1 34303030 343115971 /nfs/dbraw/zinc/11/59/71/343115971.db2.gz UWMOXRXLSFGOFV-UHFFFAOYSA-N 0 0 162.236 2.524 10 0 AFAERN Cc1c(C=O)ccc2occc12 34304832 343115973 /nfs/dbraw/zinc/11/59/73/343115973.db2.gz FVCWQVLSIRLJOX-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN CS[C@H](C)c1ccncc1 34299896 343115983 /nfs/dbraw/zinc/11/59/83/343115983.db2.gz FLSHNQQHYPNABA-SSDOTTSWSA-N 0 0 153.250 2.506 10 0 AFAERN CCc1c(C)ccc(C)c1O 34305149 343116010 /nfs/dbraw/zinc/11/60/10/343116010.db2.gz RVPPAZQHRAWDCT-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN CCCc1ccc(O)c(F)c1F 34305467 343116115 /nfs/dbraw/zinc/11/61/15/343116115.db2.gz IEEXNJSBAQLMAY-UHFFFAOYSA-N 0 0 172.174 2.623 10 0 AFAERN CS[C@@H](C)c1ccncc1 34299895 343116146 /nfs/dbraw/zinc/11/61/46/343116146.db2.gz FLSHNQQHYPNABA-ZETCQYMHSA-N 0 0 153.250 2.506 10 0 AFAERN OCc1ccc2c(Cl)cccc2c1 34324438 343116582 /nfs/dbraw/zinc/11/65/82/343116582.db2.gz LEKYJCYFNIYOGP-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN CN1CCC(C)(C)c2ccccc21 34327697 343116620 /nfs/dbraw/zinc/11/66/20/343116620.db2.gz XYITUOIAVHTHHM-UHFFFAOYSA-N 0 0 175.275 2.804 10 0 AFAERN Nc1ncc(CCC2CCCC2)s1 34332197 343116640 /nfs/dbraw/zinc/11/66/40/343116640.db2.gz KEACYRYARXNZDJ-UHFFFAOYSA-N 0 0 196.319 2.848 10 0 AFAERN Nc1ncccc1/C=C/c1ccccc1 34327114 343116728 /nfs/dbraw/zinc/11/67/28/343116728.db2.gz QUFCWMHOPWLESZ-CMDGGOBGSA-N 0 0 196.253 2.834 10 0 AFAERN CC[C@@]1(C)Cc2ccccc2C1=O 34345881 343116895 /nfs/dbraw/zinc/11/68/95/343116895.db2.gz RQCBOHYRIIMTQB-LBPRGKRZSA-N 0 0 174.243 2.842 10 0 AFAERN CC[C@]1(C)Cc2ccccc2C1=O 34345880 343117001 /nfs/dbraw/zinc/11/70/01/343117001.db2.gz RQCBOHYRIIMTQB-GFCCVEGCSA-N 0 0 174.243 2.842 10 0 AFAERN CCCC1CCC(CO)CC1 34349782 343117046 /nfs/dbraw/zinc/11/70/46/343117046.db2.gz AGBINQHSDMZNBI-UHFFFAOYSA-N 0 0 156.269 2.585 10 0 AFAERN c1csc(Cc2ccncc2)c1 34354771 343117177 /nfs/dbraw/zinc/11/71/77/343117177.db2.gz VPIPCTYBGGKPAO-UHFFFAOYSA-N 0 0 175.256 2.734 10 0 AFAERN CCCC[C@](C)(CC)CO 34355671 343117352 /nfs/dbraw/zinc/11/73/52/343117352.db2.gz DKYDBQBEFXCOJY-VIFPVBQESA-N 0 0 144.258 2.585 10 0 AFAERN Cc1cccc(-c2nc(N)cs2)c1 34363028 343117388 /nfs/dbraw/zinc/11/73/88/343117388.db2.gz WXRUQUWBAXGDMY-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@H]1CC(=O)c2cc(F)ccc2S1 34363209 343117402 /nfs/dbraw/zinc/11/74/02/343117402.db2.gz BUDFJOGNLQQSNQ-LURJTMIESA-N 0 0 196.246 2.893 10 0 AFAERN CCCC(=O)c1ccc(N(C)C)cc1 34364898 343117548 /nfs/dbraw/zinc/11/75/48/343117548.db2.gz GHRVOSDNDVYSNK-UHFFFAOYSA-N 0 0 191.274 2.735 10 0 AFAERN Cc1ccc(-c2nc(N)cs2)cc1 34363029 343117582 /nfs/dbraw/zinc/11/75/82/343117582.db2.gz GVPMLCRHOIPTEX-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCc1cc(C(C)C)ccc1N 34361446 343117610 /nfs/dbraw/zinc/11/76/10/343117610.db2.gz ATBCQJVQEKHHNL-UHFFFAOYSA-N 0 0 163.264 2.955 10 0 AFAERN Cc1ccccc1-c1nc(N)cs1 34376669 343117686 /nfs/dbraw/zinc/11/76/86/343117686.db2.gz BMIQKSIWFVWXBI-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCCCOc1ccc2[nH]ccc2n1 34372994 343117696 /nfs/dbraw/zinc/11/76/96/343117696.db2.gz MKYZUGYKWHDLJJ-UHFFFAOYSA-N 0 0 190.246 2.742 10 0 AFAERN CCCC[C@@H](O)c1ccc(OC)cc1 34380921 343117787 /nfs/dbraw/zinc/11/77/87/343117787.db2.gz KVFBEMVPJGNXSD-GFCCVEGCSA-N 0 0 194.274 2.919 10 0 AFAERN CC[C@H](C)Oc1ccccc1O 34370826 343117796 /nfs/dbraw/zinc/11/77/96/343117796.db2.gz MAHBRCSFUWZVFC-QMMMGPOBSA-N 0 0 166.220 2.570 10 0 AFAERN Cc1cc(C)c(Cl)cc1O 34380656 343117834 /nfs/dbraw/zinc/11/78/34/343117834.db2.gz BBEGVPAUJQLDQC-UHFFFAOYSA-N 0 0 156.612 2.662 10 0 AFAERN CCCC[C@H](O)c1ccc(OC)cc1 34380920 343117974 /nfs/dbraw/zinc/11/79/74/343117974.db2.gz KVFBEMVPJGNXSD-LBPRGKRZSA-N 0 0 194.274 2.919 10 0 AFAERN Clc1ccc([C@@H]2C=CCO2)cc1 34408330 343118244 /nfs/dbraw/zinc/11/82/44/343118244.db2.gz DZPHDURVWFESPE-JTQLQIEISA-N 0 0 180.634 2.968 10 0 AFAERN CC[C@H]1CCCCC(=O)C1 34408064 343118282 /nfs/dbraw/zinc/11/82/82/343118282.db2.gz UYVYAGKZXABQIC-QMMMGPOBSA-N 0 0 140.226 2.546 10 0 AFAERN O=C1CCC[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]12 34408288 343118300 /nfs/dbraw/zinc/11/83/00/343118300.db2.gz JYNUEKHIJHFMJO-KLBPJQLPSA-N 0 0 176.259 2.568 10 0 AFAERN CC(C)(C)c1cnn(C(C)(C)C)c1 34413166 343118427 /nfs/dbraw/zinc/11/84/27/343118427.db2.gz DCVZBHUARNPVMG-UHFFFAOYSA-N 0 0 180.295 2.936 10 0 AFAERN Cc1cc2cc(O)c(C)cc2o1 34413153 343118632 /nfs/dbraw/zinc/11/86/32/343118632.db2.gz VFRIOPXORYFGHL-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN C[C@]1(F)CCc2ccccc2C1=O 34427817 343118839 /nfs/dbraw/zinc/11/88/39/343118839.db2.gz KUHPHKLCWLRLRS-NSHDSACASA-N 0 0 178.206 2.544 10 0 AFAERN CCCCc1nc2c(C)ccnc2[nH]1 34427996 343118928 /nfs/dbraw/zinc/11/89/28/343118928.db2.gz VEUSWUDBFNJTLA-UHFFFAOYSA-N 0 0 189.262 2.609 10 0 AFAERN CCOC(=O)CCC1=CCCCC1 34414045 343118936 /nfs/dbraw/zinc/11/89/36/343118936.db2.gz QZHFGVZUVOQATR-UHFFFAOYSA-N 0 0 182.263 2.830 10 0 AFAERN Cc1ccccc1C=CC(=O)N=[N+]=[N-] 34414454 343118970 /nfs/dbraw/zinc/11/89/70/343118970.db2.gz VILBEXOHBCUSIQ-VOTSOKGWSA-N 0 0 187.202 2.845 10 0 AFAERN Cc1cnc(Cl)nc1-c1ccco1 34477218 343119649 /nfs/dbraw/zinc/11/96/49/343119649.db2.gz JPNQIHVCWRXYQE-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CCCCc1cn2ccccc2n1 34475711 343119846 /nfs/dbraw/zinc/11/98/46/343119846.db2.gz DPYIAYIRLPEUGR-UHFFFAOYSA-N 0 0 174.247 2.677 10 0 AFAERN Cc1cc2ccc(F)cc2o1 34489275 343119977 /nfs/dbraw/zinc/11/99/77/343119977.db2.gz MQURFWNAQQLTDH-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN CCCCCC[C@@H]1COC(C)=N1 34479234 343120028 /nfs/dbraw/zinc/12/00/28/343120028.db2.gz MMOAUAQUOVGUSZ-SNVBAGLBSA-N 0 0 169.268 2.774 10 0 AFAERN c1ccc2c3c([nH]c2c1)C1CCN3CC1 34480744 343120047 /nfs/dbraw/zinc/12/00/47/343120047.db2.gz GZAHRVJHMOIKIW-UHFFFAOYSA-N 0 0 198.269 2.865 10 0 AFAERN CCCCCC[C@H]1COC(C)=N1 34479236 343120114 /nfs/dbraw/zinc/12/01/14/343120114.db2.gz MMOAUAQUOVGUSZ-JTQLQIEISA-N 0 0 169.268 2.774 10 0 AFAERN OC[C@@H]1CCC=C(c2ccccc2)C1 34494171 343120306 /nfs/dbraw/zinc/12/03/06/343120306.db2.gz VWBFPVHBMWAKAM-LLVKDONJSA-N 0 0 188.270 2.862 10 0 AFAERN COc1cccc(C=C(F)F)c1 34499406 343120336 /nfs/dbraw/zinc/12/03/36/343120336.db2.gz GOVORFXHOXASAT-UHFFFAOYSA-N 0 0 170.158 2.933 10 0 AFAERN OC[C@H]1CCC=C(c2ccccc2)C1 34494170 343120365 /nfs/dbraw/zinc/12/03/65/343120365.db2.gz VWBFPVHBMWAKAM-NSHDSACASA-N 0 0 188.270 2.862 10 0 AFAERN CC(=O)/C=C\CCc1ccccc1 34499719 343120378 /nfs/dbraw/zinc/12/03/78/343120378.db2.gz PHEPHOADHFLZJS-ALCCZGGFSA-N 0 0 174.243 2.764 10 0 AFAERN OCC/C=C/Sc1ccccc1 34500037 343120452 /nfs/dbraw/zinc/12/04/52/343120452.db2.gz PWXMYZKZMIDKGY-WEVVVXLNSA-N 0 0 180.272 2.675 10 0 AFAERN C/C=C/c1ccc(C(=O)OC)cc1 34499761 343120519 /nfs/dbraw/zinc/12/05/19/343120519.db2.gz NWGFEELIDICDEF-ONEGZZNKSA-N 0 0 176.215 2.506 10 0 AFAERN Cc1ncccc1C(=O)c1ccccc1 34496767 343120526 /nfs/dbraw/zinc/12/05/26/343120526.db2.gz FFTXZNWOLOGINC-UHFFFAOYSA-N 0 0 197.237 2.621 10 0 AFAERN Cc1cc2c(N)ccc(C)c2o1 34515119 343120624 /nfs/dbraw/zinc/12/06/24/343120624.db2.gz RREDJZUSFMRHKG-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN Cc1cc2ccc(N)c(C)c2o1 34515104 343120668 /nfs/dbraw/zinc/12/06/68/343120668.db2.gz CWBULPKCHKMBDF-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN CC(C)(C)C(=O)/C=C/C(=O)C(C)(C)C 34501351 343120702 /nfs/dbraw/zinc/12/07/02/343120702.db2.gz UOERQNUSKMABBI-BQYQJAHWSA-N 0 0 196.290 2.773 10 0 AFAERN Cc1coc2c(C)c(N)ccc12 34515116 343120809 /nfs/dbraw/zinc/12/08/09/343120809.db2.gz TUUHXTZSLSGPGB-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN Cc1ccc(N)c2c(C)coc12 34515109 343120877 /nfs/dbraw/zinc/12/08/77/343120877.db2.gz OFMHUMITFWYUJU-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN COc1ccc2cccc3c2c1C(=O)C3 34501538 343120909 /nfs/dbraw/zinc/12/09/09/343120909.db2.gz HMYIXVWQNOKLQP-UHFFFAOYSA-N 0 0 198.221 2.587 10 0 AFAERN C[C@H](Cn1ccnc1)c1ccccc1 34534357 343121033 /nfs/dbraw/zinc/12/10/33/343121033.db2.gz JXTPNWFIHAHLEL-LLVKDONJSA-N 0 0 186.258 2.687 10 0 AFAERN COC(=O)/C(C)=C(/C)c1ccccc1 34534469 343121037 /nfs/dbraw/zinc/12/10/37/343121037.db2.gz RKOOSGFSCYNTON-KTKRTIGZSA-N 0 0 190.242 2.653 10 0 AFAERN C1=C(c2c[nH]cn2)c2ccccc2CC1 34539168 343121057 /nfs/dbraw/zinc/12/10/57/343121057.db2.gz UOLCZMPQXTYGNY-UHFFFAOYSA-N 0 0 196.253 2.788 10 0 AFAERN Cc1cc(O)cc(C(C)C)c1O 34529789 343121099 /nfs/dbraw/zinc/12/10/99/343121099.db2.gz GEWUWTLFHIPTLP-UHFFFAOYSA-N 0 0 166.220 2.530 10 0 AFAERN C/C=C/[S@@](=O)c1ccc(C)cc1 34534187 343121131 /nfs/dbraw/zinc/12/11/31/343121131.db2.gz YSASRYWCORFSIM-DGDCUBRUSA-N 0 0 180.272 2.636 10 0 AFAERN C[C@@H](Cn1ccnc1)c1ccccc1 34534355 343121148 /nfs/dbraw/zinc/12/11/48/343121148.db2.gz JXTPNWFIHAHLEL-NSHDSACASA-N 0 0 186.258 2.687 10 0 AFAERN Cc1cc(OCc2ccccc2)ccn1 34539420 343121181 /nfs/dbraw/zinc/12/11/81/343121181.db2.gz BEBQRJRBDOCNRY-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN C[C@H]1C[C@@H](c2ccccc2)CO1 34540027 343121410 /nfs/dbraw/zinc/12/14/10/343121410.db2.gz TUUOALULEYRGIX-GXSJLCMTSA-N 0 0 162.232 2.579 10 0 AFAERN C/C=C/C[C@H](O)C1CCCCC1 34540363 343121428 /nfs/dbraw/zinc/12/14/28/343121428.db2.gz QDRYSPHAXFUGLT-VUDBWIFFSA-N 0 0 168.280 2.894 10 0 AFAERN C/C=C\[C@@H](O)CCc1ccccc1 34540596 343121440 /nfs/dbraw/zinc/12/14/40/343121440.db2.gz LPEOSCXPDHOVJA-DBGMKRSLSA-N 0 0 176.259 2.556 10 0 AFAERN C/C=C/C[C@@H](O)C1CCCCC1 34540365 343121448 /nfs/dbraw/zinc/12/14/48/343121448.db2.gz QDRYSPHAXFUGLT-KXMPLOMGSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@H]1C[C@H](c2ccccc2)CO1 34540023 343121457 /nfs/dbraw/zinc/12/14/57/343121457.db2.gz TUUOALULEYRGIX-ONGXEEELSA-N 0 0 162.232 2.579 10 0 AFAERN C[C@@H]1C[C@H](c2ccccc2)CO1 34540021 343121511 /nfs/dbraw/zinc/12/15/11/343121511.db2.gz TUUOALULEYRGIX-KOLCDFICSA-N 0 0 162.232 2.579 10 0 AFAERN C/C=C\[C@H](O)CCc1ccccc1 34540594 343121515 /nfs/dbraw/zinc/12/15/15/343121515.db2.gz LPEOSCXPDHOVJA-DWMUBGRBSA-N 0 0 176.259 2.556 10 0 AFAERN CCCc1ccccc1N(C)C 34558091 343121799 /nfs/dbraw/zinc/12/17/99/343121799.db2.gz CFKKRWVLPRUDFI-UHFFFAOYSA-N 0 0 163.264 2.705 10 0 AFAERN CC(C)[C@@H](O)c1ccccc1F 34552048 343121870 /nfs/dbraw/zinc/12/18/70/343121870.db2.gz CAPFSSPGUHTLSJ-SNVBAGLBSA-N 0 0 168.211 2.515 10 0 AFAERN Cc1ccc(C)n1C(C)(C)C 34566844 343122202 /nfs/dbraw/zinc/12/22/02/343122202.db2.gz MSSKMULTUGLYEC-UHFFFAOYSA-N 0 0 151.253 2.860 10 0 AFAERN CC(C)[C@@H]1CCCCC(=O)C1 34588743 343122507 /nfs/dbraw/zinc/12/25/07/343122507.db2.gz FADJMQQFGSBLND-SECBINFHSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCCCC1=C[C@H]1CO 34596364 343122816 /nfs/dbraw/zinc/12/28/16/343122816.db2.gz SNBCLPBUNNRABI-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN CC[C@H](O)c1ccccc1[C@H](O)CC 34589910 343122828 /nfs/dbraw/zinc/12/28/28/343122828.db2.gz SQAKRQZYQYSWDP-TXEJJXNPSA-N 0 0 194.274 2.573 10 0 AFAERN CC(C)[C@@H]1C[C@H](C)CCC1=O 34593197 343122843 /nfs/dbraw/zinc/12/28/43/343122843.db2.gz GILWTRLAOHAXCK-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@H]1C[C@@H](C)CCC1=O 34593200 343122885 /nfs/dbraw/zinc/12/28/85/343122885.db2.gz GILWTRLAOHAXCK-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](O)c1ccccc1[C@@H](O)CC 34589914 343122890 /nfs/dbraw/zinc/12/28/90/343122890.db2.gz SQAKRQZYQYSWDP-RYUDHWBXSA-N 0 0 194.274 2.573 10 0 AFAERN CC(C)[C@@H]1C[C@@H](C)CCC1=O 34593198 343122895 /nfs/dbraw/zinc/12/28/95/343122895.db2.gz GILWTRLAOHAXCK-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H](O)c1ccccc1[C@H](O)CC 34589912 343122908 /nfs/dbraw/zinc/12/29/08/343122908.db2.gz SQAKRQZYQYSWDP-VXGBXAGGSA-N 0 0 194.274 2.573 10 0 AFAERN CCCCCCC1=C[C@@H]1CO 34596363 343122912 /nfs/dbraw/zinc/12/29/12/343122912.db2.gz SNBCLPBUNNRABI-SNVBAGLBSA-N 0 0 154.253 2.505 10 0 AFAERN CC(=O)c1c[nH]c2scc(C)c12 34595456 343122969 /nfs/dbraw/zinc/12/29/69/343122969.db2.gz SVXGBHDSSNFEOQ-UHFFFAOYSA-N 0 0 179.244 2.740 10 0 AFAERN CC(C)[C@H]1C[C@H](C)CCC1=O 34593199 343122995 /nfs/dbraw/zinc/12/29/95/343122995.db2.gz GILWTRLAOHAXCK-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cnc(-c2ccccn2)c(C)c1 34599470 343123176 /nfs/dbraw/zinc/12/31/76/343123176.db2.gz QYOXOSFOEPSDLS-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN [S-]c1cccc2cnccc12 34617856 343123364 /nfs/dbraw/zinc/12/33/64/343123364.db2.gz KSGDGKOVRPPSSH-UHFFFAOYSA-N 0 0 161.229 2.524 10 0 AFAERN CC[C@@H](Cc1ccccc1)C(C)=O 34616271 343123449 /nfs/dbraw/zinc/12/34/49/343123449.db2.gz ZOEPLCFBQKQFDO-LBPRGKRZSA-N 0 0 176.259 2.844 10 0 AFAERN CC[C@@H]1CCCCC(=O)C1 34621641 343123864 /nfs/dbraw/zinc/12/38/64/343123864.db2.gz UYVYAGKZXABQIC-MRVPVSSYSA-N 0 0 140.226 2.546 10 0 AFAERN CCC(=O)Cc1ccnc2ccccc12 34628646 343124053 /nfs/dbraw/zinc/12/40/53/343124053.db2.gz OMMNUDXOMBYMAM-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN C[C@@]1(O)CCCCc2ccccc21 34742149 343124396 /nfs/dbraw/zinc/12/43/96/343124396.db2.gz ZWZAXGQBIQTXDS-GFCCVEGCSA-N 0 0 176.259 2.621 10 0 AFAERN CCc1ccc(Cl)cc1[N+](=O)[O-] 34759517 343124868 /nfs/dbraw/zinc/12/48/68/343124868.db2.gz OONNZMCLGSRPOP-UHFFFAOYSA-N 0 0 185.610 2.811 10 0 AFAERN Nc1ccc(O)cc1-c1cccs1 34763410 343124912 /nfs/dbraw/zinc/12/49/12/343124912.db2.gz IREVRMLVENIKAQ-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN CCC(CC)(CO)c1ccccc1 34784875 343125250 /nfs/dbraw/zinc/12/52/50/343125250.db2.gz JGGBPDPEDVZBBY-UHFFFAOYSA-N 0 0 178.275 2.737 10 0 AFAERN CC1=C(c2ccccc2)[C@H](O)CC1 34875171 343125603 /nfs/dbraw/zinc/12/56/03/343125603.db2.gz QDRVBLHGEXWBEK-LLVKDONJSA-N 0 0 174.243 2.615 10 0 AFAERN CC1=C(c2ccccc2)[C@@H](O)CC1 34875172 343125644 /nfs/dbraw/zinc/12/56/44/343125644.db2.gz QDRVBLHGEXWBEK-NSHDSACASA-N 0 0 174.243 2.615 10 0 AFAERN CCC(C)(C)Nc1ccc(Cl)nn1 34938208 343125832 /nfs/dbraw/zinc/12/58/32/343125832.db2.gz WRNUSOIMRNWXJU-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN C[C@H](N)c1nc2cc(Cl)ccc2o1 34939393 343126042 /nfs/dbraw/zinc/12/60/42/343126042.db2.gz CGTCUVZBNDTAMR-YFKPBYRVSA-N 0 0 196.637 2.501 10 0 AFAERN CC(C)[C@@H](C)Nc1cccc(N)c1 34959052 343126484 /nfs/dbraw/zinc/12/64/84/343126484.db2.gz QAJFNRGBYQECQB-SECBINFHSA-N 0 0 178.279 2.725 10 0 AFAERN CCCCNc1ccc(N)cc1C 34978355 343127037 /nfs/dbraw/zinc/12/70/37/343127037.db2.gz VGNGNVDCEZWXPR-UHFFFAOYSA-N 0 0 178.279 2.789 10 0 AFAERN CCc1ccc(C(=O)C2CC2)s1 34976851 343127130 /nfs/dbraw/zinc/12/71/30/343127130.db2.gz LUSNGGWBHOXWHN-UHFFFAOYSA-N 0 0 180.272 2.903 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1cccs1 34976760 343127146 /nfs/dbraw/zinc/12/71/46/343127146.db2.gz ISUIRYNQUIVXOB-NKWVEPMBSA-N 0 0 166.245 2.587 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1cccs1 34976757 343127295 /nfs/dbraw/zinc/12/72/95/343127295.db2.gz ISUIRYNQUIVXOB-BQBZGAKWSA-N 0 0 166.245 2.587 10 0 AFAERN Cc1cc(C(=O)C2CC2)c(C)s1 34976969 343127320 /nfs/dbraw/zinc/12/73/20/343127320.db2.gz IQXJCYWFWZRGBT-UHFFFAOYSA-N 0 0 180.272 2.958 10 0 AFAERN CO/C=C(\C)c1ccc(F)cc1 35089724 343127369 /nfs/dbraw/zinc/12/73/69/343127369.db2.gz SQRFFFFHBYGDQY-BQYQJAHWSA-N 0 0 166.195 2.833 10 0 AFAERN CO/C=C(\C)c1ccc(OC)cc1 35089730 343127663 /nfs/dbraw/zinc/12/76/63/343127663.db2.gz APWQMWFBIIMCNJ-CMDGGOBGSA-N 0 0 178.231 2.702 10 0 AFAERN Cc1cc(NC(C)C)nc(C(C)C)n1 35121204 343128548 /nfs/dbraw/zinc/12/85/48/343128548.db2.gz PCKKJPSOVYUKPZ-UHFFFAOYSA-N 0 0 193.294 2.729 10 0 AFAERN C[C@H](Nc1nccs1)c1ccco1 35135129 343128843 /nfs/dbraw/zinc/12/88/43/343128843.db2.gz MPOHCUWUHFZUIM-ZETCQYMHSA-N 0 0 194.259 2.909 10 0 AFAERN CC[C@H](C)S[C@H]1CCCC1=O 35182694 343129189 /nfs/dbraw/zinc/12/91/89/343129189.db2.gz OJKMSGIBCTXFQQ-CBAPKCEASA-N 0 0 172.293 2.640 10 0 AFAERN CC[C@H](C)S[C@@H]1CCCC1=O 35182692 343129436 /nfs/dbraw/zinc/12/94/36/343129436.db2.gz OJKMSGIBCTXFQQ-IONNQARKSA-N 0 0 172.293 2.640 10 0 AFAERN CC[C@H](C)Nc1ccc(N)c(C)c1 35277614 343130715 /nfs/dbraw/zinc/13/07/15/343130715.db2.gz CAJOTRQEKPROCY-VIFPVBQESA-N 0 0 178.279 2.788 10 0 AFAERN Cc1cc(NCC2CCC2)ccc1N 35278254 343131139 /nfs/dbraw/zinc/13/11/39/343131139.db2.gz YBCUZEXOKQSGBC-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN Cc1cc(NC(C)(C)C)ccc1N 35277876 343131371 /nfs/dbraw/zinc/13/13/71/343131371.db2.gz ULVRELZPFVMUOG-UHFFFAOYSA-N 0 0 178.279 2.788 10 0 AFAERN Cc1ccoc1[C@@H](N)c1cccs1 35379704 343132075 /nfs/dbraw/zinc/13/20/75/343132075.db2.gz YZTQJVRWTIQMAJ-VIFPVBQESA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccc([C@@H](N)c2cccs2)o1 35379690 343132113 /nfs/dbraw/zinc/13/21/13/343132113.db2.gz CBDGNXYUXGVPAA-SNVBAGLBSA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccc([C@H](N)c2ccco2)s1 35380401 343132212 /nfs/dbraw/zinc/13/22/12/343132212.db2.gz ZGEBGHSMOZKZCD-SNVBAGLBSA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccc([C@@H](N)c2ccco2)s1 35380404 343132223 /nfs/dbraw/zinc/13/22/23/343132223.db2.gz ZGEBGHSMOZKZCD-JTQLQIEISA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccc([C@H](N)c2cccs2)o1 35379689 343132361 /nfs/dbraw/zinc/13/23/61/343132361.db2.gz CBDGNXYUXGVPAA-JTQLQIEISA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccc(C(=O)c2ccccc2)o1 35368783 343132393 /nfs/dbraw/zinc/13/23/93/343132393.db2.gz DRRGJRUNNNIEFT-UHFFFAOYSA-N 0 0 186.210 2.819 10 0 AFAERN Cc1ccoc1[C@H](N)c1cccs1 35379703 343132398 /nfs/dbraw/zinc/13/23/98/343132398.db2.gz YZTQJVRWTIQMAJ-SECBINFHSA-N 0 0 193.271 2.698 10 0 AFAERN O=Cc1cccn1CC1CCCCC1 35431225 343132602 /nfs/dbraw/zinc/13/26/02/343132602.db2.gz MKPQFBSURUXWJY-UHFFFAOYSA-N 0 0 191.274 2.881 10 0 AFAERN CC(C)[C@H](C)n1cccc1C=O 35431373 343132764 /nfs/dbraw/zinc/13/27/64/343132764.db2.gz GNIDOCOLJXXZRM-VIFPVBQESA-N 0 0 165.236 2.518 10 0 AFAERN CC(C)[C@@H](C)n1cccc1C=O 35431372 343132867 /nfs/dbraw/zinc/13/28/67/343132867.db2.gz GNIDOCOLJXXZRM-SECBINFHSA-N 0 0 165.236 2.518 10 0 AFAERN CC(C)N(C)c1ccc([C@H](C)O)cc1 35631308 343135207 /nfs/dbraw/zinc/13/52/07/343135207.db2.gz CQNXRXWCYJUONQ-JTQLQIEISA-N 0 0 193.290 2.585 10 0 AFAERN Cc1ccccc1-c1ccc(CO)cn1 35630069 343135216 /nfs/dbraw/zinc/13/52/16/343135216.db2.gz BANWOQXKQJDUMZ-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1ccc(OC(C)C)c([C@H](C)O)c1 35630155 343135219 /nfs/dbraw/zinc/13/52/19/343135219.db2.gz IYNRSOWCEASLKF-JTQLQIEISA-N 0 0 194.274 2.836 10 0 AFAERN Cc1ccc(C)n1CC1CC1 35651200 343135474 /nfs/dbraw/zinc/13/54/74/343135474.db2.gz QSWBKQXQJGOVTG-UHFFFAOYSA-N 0 0 149.237 2.515 10 0 AFAERN CC(C)[C@@H](C)n1cccc1 35651168 343135477 /nfs/dbraw/zinc/13/54/77/343135477.db2.gz NVCAJSXZCMUOSI-SECBINFHSA-N 0 0 137.226 2.705 10 0 AFAERN CC(C)N(C)c1ccccc1[C@H](C)O 35650469 343135656 /nfs/dbraw/zinc/13/56/56/343135656.db2.gz KTXNVOYZQCJVDL-JTQLQIEISA-N 0 0 193.290 2.585 10 0 AFAERN Cc1cc2c(c(C)c1Cl)C(=O)CO2 35652517 343135748 /nfs/dbraw/zinc/13/57/48/343135748.db2.gz JKNWCWRDILUFOU-UHFFFAOYSA-N 0 0 196.633 2.532 10 0 AFAERN Cc1ccc(-n2cccn2)cc1Cl 35728280 343137291 /nfs/dbraw/zinc/13/72/91/343137291.db2.gz UHZVRHHIFYGRJB-UHFFFAOYSA-N 0 0 192.649 2.834 10 0 AFAERN C[C@H](Nc1ccc(F)cc1N)C1CC1 35733450 343137453 /nfs/dbraw/zinc/13/74/53/343137453.db2.gz ORXJGHGVWMDAEQ-ZETCQYMHSA-N 0 0 194.253 2.618 10 0 AFAERN Cc1csc(N[C@@H](C)C2CC2)n1 35733854 343137479 /nfs/dbraw/zinc/13/74/79/343137479.db2.gz BJOVLZDFUGGLGL-ZETCQYMHSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1cc(N)ccc1N[C@@H](C)C1CC1 35733432 343137506 /nfs/dbraw/zinc/13/75/06/343137506.db2.gz CZEKRWBQQWLXDN-VIFPVBQESA-N 0 0 190.290 2.788 10 0 AFAERN C[C@H](Nc1ccc(N)cc1F)C1CC1 35733440 343137554 /nfs/dbraw/zinc/13/75/54/343137554.db2.gz BHCSZCANRVDHTL-ZETCQYMHSA-N 0 0 194.253 2.618 10 0 AFAERN Cc1cc(C=O)c(C)n1[C@H](C)C1CC1 35733635 343137567 /nfs/dbraw/zinc/13/75/67/343137567.db2.gz BBIUUCHQZKLKBB-SECBINFHSA-N 0 0 191.274 2.888 10 0 AFAERN C[C@@H](Nc1ccc(F)cc1N)C1CC1 35733451 343137578 /nfs/dbraw/zinc/13/75/78/343137578.db2.gz ORXJGHGVWMDAEQ-SSDOTTSWSA-N 0 0 194.253 2.618 10 0 AFAERN Cc1cc(C=O)c(C)n1[C@@H](C)C1CC1 35733634 343137701 /nfs/dbraw/zinc/13/77/01/343137701.db2.gz BBIUUCHQZKLKBB-VIFPVBQESA-N 0 0 191.274 2.888 10 0 AFAERN Cc1cc(N)ccc1N[C@H](C)C1CC1 35733433 343137709 /nfs/dbraw/zinc/13/77/09/343137709.db2.gz CZEKRWBQQWLXDN-SECBINFHSA-N 0 0 190.290 2.788 10 0 AFAERN C[C@H](c1ccco1)n1cccc1 35739945 343137989 /nfs/dbraw/zinc/13/79/89/343137989.db2.gz YVERLWDUGCAKSI-SECBINFHSA-N 0 0 161.204 2.690 10 0 AFAERN Cc1ccc(C)n1[C@@H](C)[C@H]1CCCO1 35736540 343138005 /nfs/dbraw/zinc/13/80/05/343138005.db2.gz JALQRBQTRIEJDE-NWDGAFQWSA-N 0 0 193.290 2.845 10 0 AFAERN Cc1ccc(C)n1[C@H](C)[C@@H]1CCCO1 35736538 343138043 /nfs/dbraw/zinc/13/80/43/343138043.db2.gz JALQRBQTRIEJDE-NEPJUHHUSA-N 0 0 193.290 2.845 10 0 AFAERN C[C@H]1CC(=O)c2cccc(F)c2S1 35741334 343138323 /nfs/dbraw/zinc/13/83/23/343138323.db2.gz UCEZBNUGXGAKQU-LURJTMIESA-N 0 0 196.246 2.893 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@@H](C)CS2 35757047 343138417 /nfs/dbraw/zinc/13/84/17/343138417.db2.gz CFUIZFNSIWSNGM-QMMMGPOBSA-N 0 0 192.283 2.920 10 0 AFAERN C[C@H]1CSc2c(F)cccc2C1=O 35757057 343138427 /nfs/dbraw/zinc/13/84/27/343138427.db2.gz YIHHSOLMMFEJDW-LURJTMIESA-N 0 0 196.246 2.750 10 0 AFAERN C[C@H]1CSc2ccc(F)cc2C1=O 35757051 343138507 /nfs/dbraw/zinc/13/85/07/343138507.db2.gz LAGMECLELVXYEM-LURJTMIESA-N 0 0 196.246 2.750 10 0 AFAERN C[C@H](Nc1cn[nH]c1)c1cccs1 35763936 343138921 /nfs/dbraw/zinc/13/89/21/343138921.db2.gz VFSCHKDKPNLONO-ZETCQYMHSA-N 0 0 193.275 2.644 10 0 AFAERN C[C@H](Nc1cn[nH]c1)c1ccccc1 35763979 343138984 /nfs/dbraw/zinc/13/89/84/343138984.db2.gz HIJJOXUJEIRBDL-VIFPVBQESA-N 0 0 187.246 2.583 10 0 AFAERN CCn1cc(N[C@@H](C)C2(C)CC2)cn1 35779822 343139135 /nfs/dbraw/zinc/13/91/35/343139135.db2.gz CNXYAGLBETWMGZ-VIFPVBQESA-N 0 0 193.294 2.504 10 0 AFAERN CCn1cc(N[C@H](C)C2(C)CC2)cn1 35779824 343139197 /nfs/dbraw/zinc/13/91/97/343139197.db2.gz CNXYAGLBETWMGZ-SECBINFHSA-N 0 0 193.294 2.504 10 0 AFAERN C/C(=C\CO)C1CCCCC1 35854892 343139626 /nfs/dbraw/zinc/13/96/26/343139626.db2.gz CLHWBNOQRBONKB-VQHVLOKHSA-N 0 0 154.253 2.505 10 0 AFAERN C=Cc1cc(Cl)ccc1O 35803394 343139583 /nfs/dbraw/zinc/13/95/83/343139583.db2.gz XQOASHBFWHURKO-UHFFFAOYSA-N 0 0 154.596 2.689 10 0 AFAERN COC(=O)/C=C\C1CCCCCC1 35837273 343139676 /nfs/dbraw/zinc/13/96/76/343139676.db2.gz DDDUXCKXRCIZAM-HJWRWDBZSA-N 0 0 182.263 2.686 10 0 AFAERN Cc1cccnc1-c1ncccc1C 35858015 343140025 /nfs/dbraw/zinc/14/00/25/343140025.db2.gz GALLWSLKCWDSLT-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN Cc1ccc([C@@H](O)C(C)C)c(C)c1 36156346 343140628 /nfs/dbraw/zinc/14/06/28/343140628.db2.gz PAOJHYNSEZUBAR-LBPRGKRZSA-N 0 0 178.275 2.993 10 0 AFAERN CC[C@H](O)c1ccc2c(c1)CCC2 36156277 343140706 /nfs/dbraw/zinc/14/07/06/343140706.db2.gz INPQISVVVIEIHA-LBPRGKRZSA-N 0 0 176.259 2.619 10 0 AFAERN Cc1ccc([C@@H](O)C2CCC2)cc1 36156275 343140708 /nfs/dbraw/zinc/14/07/08/343140708.db2.gz BABIRIYQWLBGGO-LBPRGKRZSA-N 0 0 176.259 2.829 10 0 AFAERN Cc1ccc([C@H](O)C2CCC2)cc1 36156274 343140714 /nfs/dbraw/zinc/14/07/14/343140714.db2.gz BABIRIYQWLBGGO-GFCCVEGCSA-N 0 0 176.259 2.829 10 0 AFAERN CCC[C@H](O)c1cc(F)ccc1F 36156507 343140736 /nfs/dbraw/zinc/14/07/36/343140736.db2.gz WDZAZWPLABSYRW-JTQLQIEISA-N 0 0 186.201 2.798 10 0 AFAERN Cc1csc(-c2ccccc2O)n1 36155368 343140814 /nfs/dbraw/zinc/14/08/14/343140814.db2.gz DMKFYCFFMNOORY-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CC(C)[C@@H](O)c1ccc2c(c1)CCC2 36156610 343140831 /nfs/dbraw/zinc/14/08/31/343140831.db2.gz NKBWFGSXNZDYEA-CYBMUJFWSA-N 0 0 190.286 2.865 10 0 AFAERN CC(C)[C@H](O)c1cc(F)ccc1F 36156504 343140925 /nfs/dbraw/zinc/14/09/25/343140925.db2.gz CMHZPNAEBMDBMU-JTQLQIEISA-N 0 0 186.201 2.654 10 0 AFAERN CC(C)[C@H](O)c1ccc2c(c1)CCC2 36156608 343140896 /nfs/dbraw/zinc/14/08/96/343140896.db2.gz NKBWFGSXNZDYEA-ZDUSSCGKSA-N 0 0 190.286 2.865 10 0 AFAERN Cc1ccc([C@H](O)C(C)C)c(C)c1 36156345 343140951 /nfs/dbraw/zinc/14/09/51/343140951.db2.gz PAOJHYNSEZUBAR-GFCCVEGCSA-N 0 0 178.275 2.993 10 0 AFAERN CC[C@H](C)Nc1ncc(Cl)cc1N 36226202 343141790 /nfs/dbraw/zinc/14/17/90/343141790.db2.gz SNNHUBLEILCRFK-LURJTMIESA-N 0 0 199.685 2.528 10 0 AFAERN COc1ccc2c(c1)CCC[C@H]2OC 36372742 343144497 /nfs/dbraw/zinc/14/44/97/343144497.db2.gz BOGLYLZADZAOHO-GFCCVEGCSA-N 0 0 192.258 2.719 10 0 AFAERN CN(C)c1ccc(NCC2CC2)cc1 36335546 343144518 /nfs/dbraw/zinc/14/45/18/343144518.db2.gz SCGUVSKZTDCUBM-UHFFFAOYSA-N 0 0 190.290 2.575 10 0 AFAERN COc1ccc2c(c1)CCC[C@@H]2OC 36372741 343144613 /nfs/dbraw/zinc/14/46/13/343144613.db2.gz BOGLYLZADZAOHO-LBPRGKRZSA-N 0 0 192.258 2.719 10 0 AFAERN CC(C)c1cc2cc(O)ccc2[nH]1 36404397 343144812 /nfs/dbraw/zinc/14/48/12/343144812.db2.gz JHKBXAJOULYAQK-UHFFFAOYSA-N 0 0 175.231 2.997 10 0 AFAERN CCCCCCO[C@@H]1CCCCO1 36415452 343144848 /nfs/dbraw/zinc/14/48/48/343144848.db2.gz COFDZRYZZGICKY-NSHDSACASA-N 0 0 185.287 2.924 10 0 AFAERN CC(C)/C=C/C(=O)OC(C)(C)C 36404341 343144994 /nfs/dbraw/zinc/14/49/94/343144994.db2.gz IWKSGRQWQFCGEM-VOTSOKGWSA-N 0 0 170.252 2.540 10 0 AFAERN CCCCCCO[C@H]1CCCCO1 36415453 343144979 /nfs/dbraw/zinc/14/49/79/343144979.db2.gz COFDZRYZZGICKY-LLVKDONJSA-N 0 0 185.287 2.924 10 0 AFAERN CCCC[C@@H]1CCCC(=O)C1 36404142 343144999 /nfs/dbraw/zinc/14/49/99/343144999.db2.gz ORIINXCHZXECLA-SECBINFHSA-N 0 0 154.253 2.936 10 0 AFAERN C(=C/[C@H]1OCCS1)\c1ccccc1 36404702 343145006 /nfs/dbraw/zinc/14/50/06/343145006.db2.gz QFCNKEIVVAVKOA-MLRMMBSGSA-N 0 0 192.283 2.789 10 0 AFAERN O[C@H]1CCCC=C1c1ccccc1 36404387 343145012 /nfs/dbraw/zinc/14/50/12/343145012.db2.gz SSZZWKMSCLLYGN-LBPRGKRZSA-N 0 0 174.243 2.615 10 0 AFAERN C(=C/[C@@H]1OCCS1)\c1ccccc1 36404701 343145041 /nfs/dbraw/zinc/14/50/41/343145041.db2.gz QFCNKEIVVAVKOA-XUIVZRPNSA-N 0 0 192.283 2.789 10 0 AFAERN C[C@H]1OC(C)(C)O[C@H]1c1ccccc1 36420296 343145116 /nfs/dbraw/zinc/14/51/16/343145116.db2.gz XHBYNHZRKPAKRJ-MWLCHTKSSA-N 0 0 192.258 2.899 10 0 AFAERN Cc1cc(NCC(C)C)nc(Cl)n1 36420451 343145183 /nfs/dbraw/zinc/14/51/83/343145183.db2.gz PXKHWKLTDSZUPO-UHFFFAOYSA-N 0 0 199.685 2.506 10 0 AFAERN C/C=C/OCc1ccccc1 36433353 343145301 /nfs/dbraw/zinc/14/53/01/343145301.db2.gz QARNHIBOPBXNSX-KRXBUXKQSA-N 0 0 148.205 2.737 10 0 AFAERN CCOC(OCC)c1ccc(F)cc1 36437193 343145334 /nfs/dbraw/zinc/14/53/34/343145334.db2.gz VJHOCGQAEPCZGG-UHFFFAOYSA-N 0 0 198.237 2.897 10 0 AFAERN c1cnc2c3c(ccc2c1)CCCN3 36420162 343145370 /nfs/dbraw/zinc/14/53/70/343145370.db2.gz AVXJWSHHQZJBJN-UHFFFAOYSA-N 0 0 184.242 2.593 10 0 AFAERN C[C@H](/C=C/[N+](=O)[O-])c1ccccc1 36448210 343145508 /nfs/dbraw/zinc/14/55/08/343145508.db2.gz PFFNNKWSCVPPIW-FCZSHJHJSA-N 0 0 177.203 2.581 10 0 AFAERN O[C@@H](c1ccccc1)[C@@H]1C=CCC1 36438092 343145520 /nfs/dbraw/zinc/14/55/20/343145520.db2.gz BSOVLMYJFMOKCA-NEPJUHHUSA-N 0 0 174.243 2.686 10 0 AFAERN O=C1CCC[C@H](c2ccsc2)C1 36438193 343145541 /nfs/dbraw/zinc/14/55/41/343145541.db2.gz HXZRGZRUJZSNBX-QMMMGPOBSA-N 0 0 180.272 2.975 10 0 AFAERN CC(C)CCC(=O)c1nccs1 36438259 343145595 /nfs/dbraw/zinc/14/55/95/343145595.db2.gz UTZOAQSHSBUVDE-UHFFFAOYSA-N 0 0 183.276 2.762 10 0 AFAERN CC(C)[C@H]1CCCCC(=O)C1 36447943 343145755 /nfs/dbraw/zinc/14/57/55/343145755.db2.gz FADJMQQFGSBLND-VIFPVBQESA-N 0 0 154.253 2.792 10 0 AFAERN CC/C(=C\CO)c1ccc(C)cc1 36458986 343145875 /nfs/dbraw/zinc/14/58/75/343145875.db2.gz OIWYTTOABZTEAR-DHZHZOJOSA-N 0 0 176.259 2.781 10 0 AFAERN COC/C=C/C=C/c1ccccc1 36458934 343146019 /nfs/dbraw/zinc/14/60/19/343146019.db2.gz ARTADYMHQKZSNT-ASVGJQBISA-N 0 0 174.243 2.902 10 0 AFAERN CC(C)c1ccc(N)c([S-])c1 36458814 343146086 /nfs/dbraw/zinc/14/60/86/343146086.db2.gz OYIKVERQVRJJEA-UHFFFAOYSA-N 0 0 167.277 2.681 10 0 AFAERN Cc1ccc2nc3c(n2c1)CCCC3 36466738 343146317 /nfs/dbraw/zinc/14/63/17/343146317.db2.gz SDPYAMXRSFIOPT-UHFFFAOYSA-N 0 0 186.258 2.522 10 0 AFAERN CC(C)[C@@](C)(O)c1cccs1 36489770 343146891 /nfs/dbraw/zinc/14/68/91/343146891.db2.gz DODXTTHVQJAHOG-SECBINFHSA-N 0 0 170.277 2.612 10 0 AFAERN CC(C)[C@](C)(O)c1cccs1 36489769 343146908 /nfs/dbraw/zinc/14/69/08/343146908.db2.gz DODXTTHVQJAHOG-VIFPVBQESA-N 0 0 170.277 2.612 10 0 AFAERN CCC(=O)CCc1ccccc1F 36683758 343148086 /nfs/dbraw/zinc/14/80/86/343148086.db2.gz KRXREFPPVDDMMC-UHFFFAOYSA-N 0 0 180.222 2.737 10 0 AFAERN CCC(C)(C)Nc1cccc(N)c1 36720365 343148136 /nfs/dbraw/zinc/14/81/36/343148136.db2.gz LIDQGMCOCZYYRR-UHFFFAOYSA-N 0 0 178.279 2.869 10 0 AFAERN CCC(=O)CCc1cccc(OC)c1 36683754 343148177 /nfs/dbraw/zinc/14/81/77/343148177.db2.gz QNPZOGVOSAMDJI-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN CCC(CC)Nc1cccc(N)c1 36720307 343148278 /nfs/dbraw/zinc/14/82/78/343148278.db2.gz CSONVXWYVOPLBX-UHFFFAOYSA-N 0 0 178.279 2.869 10 0 AFAERN CCC(=O)CCc1cccc(C)c1 36683744 343148349 /nfs/dbraw/zinc/14/83/49/343148349.db2.gz SWZZBGOIZXJKSC-UHFFFAOYSA-N 0 0 176.259 2.907 10 0 AFAERN CCC(CC)Nc1c(C)n[nH]c1C 36736061 343148493 /nfs/dbraw/zinc/14/84/93/343148493.db2.gz TVPHJJJGGWICLE-UHFFFAOYSA-N 0 0 181.283 2.627 10 0 AFAERN CC[C@H](C)[C@H](C)Nc1c(C)n[nH]c1C 36734468 343148629 /nfs/dbraw/zinc/14/86/29/343148629.db2.gz DAXZPSGUIGJAMQ-YUMQZZPRSA-N 0 0 195.310 2.873 10 0 AFAERN Cc1n[nH]c(C)c1N[C@H](C)CC(C)C 36736087 343148728 /nfs/dbraw/zinc/14/87/28/343148728.db2.gz UXJSTAVFLUPJIH-MRVPVSSYSA-N 0 0 195.310 2.873 10 0 AFAERN Cc1n[nH]c(C)c1N[C@@H](C)CC(C)C 36736086 343148839 /nfs/dbraw/zinc/14/88/39/343148839.db2.gz UXJSTAVFLUPJIH-QMMMGPOBSA-N 0 0 195.310 2.873 10 0 AFAERN Cc1n[nH]c(C)c1NC1CCCCC1 36734719 343148841 /nfs/dbraw/zinc/14/88/41/343148841.db2.gz NKROBTZIKBCMTH-UHFFFAOYSA-N 0 0 193.294 2.771 10 0 AFAERN CCc1cc(Cl)nc(C(C)(C)C)n1 36755671 343149040 /nfs/dbraw/zinc/14/90/40/343149040.db2.gz PMHSEPMQYZYAFZ-UHFFFAOYSA-N 0 0 198.697 2.990 10 0 AFAERN CCc1cc(Cl)nc(C(C)C)n1 36755682 343149129 /nfs/dbraw/zinc/14/91/29/343149129.db2.gz PQTUHZLVJWMRJC-UHFFFAOYSA-N 0 0 184.670 2.816 10 0 AFAERN CCC(=O)c1ccc(OC)cc1Cl 36767422 343149290 /nfs/dbraw/zinc/14/92/90/343149290.db2.gz HHDAYCKDBOAYPQ-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CC(C)[C@H](C)N(C)c1ccccc1N 36787076 343150394 /nfs/dbraw/zinc/15/03/94/343150394.db2.gz IATKTCPDYKXFDH-JTQLQIEISA-N 0 0 192.306 2.750 10 0 AFAERN C[C@H](C1CC1)N(C)c1cccc(N)c1 36783226 343150507 /nfs/dbraw/zinc/15/05/07/343150507.db2.gz IUCQWSDQRKGDKD-SECBINFHSA-N 0 0 190.290 2.504 10 0 AFAERN CC(C)[C@H](C)N(C)c1cccc(N)c1 36787034 343150585 /nfs/dbraw/zinc/15/05/85/343150585.db2.gz ASBYCVIADAQCNY-JTQLQIEISA-N 0 0 192.306 2.750 10 0 AFAERN CC(C)[C@@H](C)N(C)c1cccc(N)c1 36787033 343150594 /nfs/dbraw/zinc/15/05/94/343150594.db2.gz ASBYCVIADAQCNY-SNVBAGLBSA-N 0 0 192.306 2.750 10 0 AFAERN CCn1c(=S)[nH]c2cc(F)ccc21 36891266 343152638 /nfs/dbraw/zinc/15/26/38/343152638.db2.gz UCERKYRHPVHRTD-UHFFFAOYSA-N 0 0 196.250 2.858 10 0 AFAERN Cc1c(O)cccc1OCC(C)C 36896604 343153262 /nfs/dbraw/zinc/15/32/62/343153262.db2.gz BJPHMBDUYCWLAG-UHFFFAOYSA-N 0 0 180.247 2.735 10 0 AFAERN CCc1c(C2CCCCC2)noc1N 36916587 343154427 /nfs/dbraw/zinc/15/44/27/343154427.db2.gz CRXQVNDFTCQGAW-UHFFFAOYSA-N 0 0 194.278 2.867 10 0 AFAERN Cc1ccc(C)c2c1OCCCC2=O 36928533 343155124 /nfs/dbraw/zinc/15/51/24/343155124.db2.gz SZJHQMFEPHKOQL-UHFFFAOYSA-N 0 0 190.242 2.659 10 0 AFAERN Cc1ccc(C(=O)[C@H]2C[C@@H]2C)cc1 36942826 343155387 /nfs/dbraw/zinc/15/53/87/343155387.db2.gz RZLXVRDQNQTWNS-ONGXEEELSA-N 0 0 174.243 2.834 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1ccc(F)cc1F 36940662 343155389 /nfs/dbraw/zinc/15/53/89/343155389.db2.gz WLMGKOYXDBEYJA-RCOVLWMOSA-N 0 0 196.196 2.804 10 0 AFAERN Cc1c(CC2CCCCC2)noc1N 36937164 343155405 /nfs/dbraw/zinc/15/54/05/343155405.db2.gz RCEMJYLRWLOGRB-UHFFFAOYSA-N 0 0 194.278 2.688 10 0 AFAERN Cc1ccc(C(=O)[C@H]2C[C@H]2C)s1 36942708 343155412 /nfs/dbraw/zinc/15/54/12/343155412.db2.gz ZUCIGWXXUJVCDN-SVRRBLITSA-N 0 0 180.272 2.895 10 0 AFAERN Cc1ccsc1-c1noc(N)c1C 36937253 343155421 /nfs/dbraw/zinc/15/54/21/343155421.db2.gz LOXWLSPXVCVRPX-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2C[C@@H]2C)s1 36942702 343155470 /nfs/dbraw/zinc/15/54/70/343155470.db2.gz ZUCIGWXXUJVCDN-POYBYMJQSA-N 0 0 180.272 2.895 10 0 AFAERN COc1ccc(C(=O)[C@H]2C[C@H]2C)cc1 36942000 343155474 /nfs/dbraw/zinc/15/54/74/343155474.db2.gz HEHKHTQLHNXZFP-KCJUWKMLSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1cc(F)ccc1F 36940272 343155491 /nfs/dbraw/zinc/15/54/91/343155491.db2.gz SFEFFDRCXKJZRI-POYBYMJQSA-N 0 0 196.196 2.804 10 0 AFAERN Cc1ccc(-c2noc(N)c2C)s1 36937259 343155493 /nfs/dbraw/zinc/15/54/93/343155493.db2.gz QDYBKCXPUPGKIV-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1ccc(F)cc1 36940584 343155532 /nfs/dbraw/zinc/15/55/32/343155532.db2.gz YOHJXBBXASAQHA-OIBJUYFYSA-N 0 0 178.206 2.664 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2C[C@H]2C)s1 36942706 343155539 /nfs/dbraw/zinc/15/55/39/343155539.db2.gz ZUCIGWXXUJVCDN-HTRCEHHLSA-N 0 0 180.272 2.895 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2C[C@H]2C)cc1 36942828 343155545 /nfs/dbraw/zinc/15/55/45/343155545.db2.gz RZLXVRDQNQTWNS-MWLCHTKSSA-N 0 0 174.243 2.834 10 0 AFAERN CC[C@@H](C)C(=O)c1ccc(OC)cc1 36941990 343155563 /nfs/dbraw/zinc/15/55/63/343155563.db2.gz VASTZFXIPBJXFK-SECBINFHSA-N 0 0 192.258 2.924 10 0 AFAERN CC[C@H](C)C(=O)c1ccc(OC)cc1 36941992 343155571 /nfs/dbraw/zinc/15/55/71/343155571.db2.gz VASTZFXIPBJXFK-VIFPVBQESA-N 0 0 192.258 2.924 10 0 AFAERN Cc1ccc(C(=O)C2CC2)s1 36942736 343155587 /nfs/dbraw/zinc/15/55/87/343155587.db2.gz VZXZKBMONKYBTN-UHFFFAOYSA-N 0 0 166.245 2.649 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1ccccc1 36941643 343155590 /nfs/dbraw/zinc/15/55/90/343155590.db2.gz YDRZPZBBCXRSKB-WCBMZHEXSA-N 0 0 160.216 2.525 10 0 AFAERN Cc1ccc(C(=O)[C@H]2C[C@@H]2C)s1 36942704 343155600 /nfs/dbraw/zinc/15/56/00/343155600.db2.gz ZUCIGWXXUJVCDN-XPUUQOCRSA-N 0 0 180.272 2.895 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1ccccc1 36941639 343155603 /nfs/dbraw/zinc/15/56/03/343155603.db2.gz YDRZPZBBCXRSKB-WPRPVWTQSA-N 0 0 160.216 2.525 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2C[C@@H]2C)cc1 36942824 343155617 /nfs/dbraw/zinc/15/56/17/343155617.db2.gz RZLXVRDQNQTWNS-GXSJLCMTSA-N 0 0 174.243 2.834 10 0 AFAERN CC[C@H](C)C(=O)c1cccs1 36942552 343155628 /nfs/dbraw/zinc/15/56/28/343155628.db2.gz VIIOLWYAAMKHDR-ZETCQYMHSA-N 0 0 168.261 2.977 10 0 AFAERN Cc1nc(CCC2CCCCC2)n[nH]1 36960755 343156342 /nfs/dbraw/zinc/15/63/42/343156342.db2.gz JHONIASMXRPNBP-UHFFFAOYSA-N 0 0 193.294 2.626 10 0 AFAERN Cc1cc(N)ccc1NC(C)(C)C 36950155 343156448 /nfs/dbraw/zinc/15/64/48/343156448.db2.gz RLSZXVJJOHROTP-UHFFFAOYSA-N 0 0 178.279 2.788 10 0 AFAERN CC[C@H](C)Nc1cccnc1Cl 36982806 343156816 /nfs/dbraw/zinc/15/68/16/343156816.db2.gz VXMPMKLAOPXXPE-ZETCQYMHSA-N 0 0 184.670 2.945 10 0 AFAERN CC(C)OCc1ccc(Cl)c(N)c1 36964756 343156838 /nfs/dbraw/zinc/15/68/38/343156838.db2.gz GZPNMZMTNNJTEB-UHFFFAOYSA-N 0 0 199.681 2.847 10 0 AFAERN CCCCNc1cccnc1Cl 36983003 343156933 /nfs/dbraw/zinc/15/69/33/343156933.db2.gz AEWKVOPTXCLSCP-UHFFFAOYSA-N 0 0 184.670 2.947 10 0 AFAERN CC[C@H](C)Nc1ccc2n[nH]cc2c1 36989524 343157283 /nfs/dbraw/zinc/15/72/83/343157283.db2.gz JNMUURUPKROJAL-QMMMGPOBSA-N 0 0 189.262 2.773 10 0 AFAERN CN(c1ccc(Cl)cc1N)C1CC1 37080605 343158428 /nfs/dbraw/zinc/15/84/28/343158428.db2.gz KZYWGKHKGTZTPT-UHFFFAOYSA-N 0 0 196.681 2.521 10 0 AFAERN CN(c1c(N)cccc1Cl)C1CC1 37080598 343158457 /nfs/dbraw/zinc/15/84/57/343158457.db2.gz IYJUOWDAQZETHT-UHFFFAOYSA-N 0 0 196.681 2.521 10 0 AFAERN CC[C@H](C)N(C)c1ccc(N)cc1F 37109459 343159534 /nfs/dbraw/zinc/15/95/34/343159534.db2.gz JAZKRKSBIQBKIR-QMMMGPOBSA-N 0 0 196.269 2.643 10 0 AFAERN CCCCCOCc1cccc(N)c1 37113898 343160674 /nfs/dbraw/zinc/16/06/74/343160674.db2.gz AANXEQQORNKODA-UHFFFAOYSA-N 0 0 193.290 2.976 10 0 AFAERN CC(C)[C@H](C)Nc1ccc(O)cc1 37132038 343160832 /nfs/dbraw/zinc/16/08/32/343160832.db2.gz YYUOKBCDIQVSQM-VIFPVBQESA-N 0 0 179.263 2.849 10 0 AFAERN CCC(CC)Nc1ccc(O)cc1 37132087 343160850 /nfs/dbraw/zinc/16/08/50/343160850.db2.gz MDOZBKGKICPPRS-UHFFFAOYSA-N 0 0 179.263 2.993 10 0 AFAERN C[C@H](Nc1ccc(O)cc1)C1CC1 37132092 343160885 /nfs/dbraw/zinc/16/08/85/343160885.db2.gz WFWUIVCNWJWPMT-QMMMGPOBSA-N 0 0 177.247 2.603 10 0 AFAERN CC[C@H](C)Nc1ccc2cn[nH]c2c1 37134299 343160909 /nfs/dbraw/zinc/16/09/09/343160909.db2.gz BQOZQHAKEFTYBJ-QMMMGPOBSA-N 0 0 189.262 2.773 10 0 AFAERN CC(C)[C@@H](C)Nc1ccc(O)cc1 37132037 343161010 /nfs/dbraw/zinc/16/10/10/343161010.db2.gz YYUOKBCDIQVSQM-SECBINFHSA-N 0 0 179.263 2.849 10 0 AFAERN Cc1ccc(NCC2CC2)c(C)c1O 37130625 343161023 /nfs/dbraw/zinc/16/10/23/343161023.db2.gz UGANWIRRCFWMOB-UHFFFAOYSA-N 0 0 191.274 2.831 10 0 AFAERN Cc1nc(C(C)(C)C)sc1[C@H](C)O 37180271 343161869 /nfs/dbraw/zinc/16/18/69/343161869.db2.gz QHLJKGFFAURNQP-ZETCQYMHSA-N 0 0 199.319 2.802 10 0 AFAERN Cc1nc(C(C)(C)C)sc1[C@@H](C)O 37180269 343162161 /nfs/dbraw/zinc/16/21/61/343162161.db2.gz QHLJKGFFAURNQP-SSDOTTSWSA-N 0 0 199.319 2.802 10 0 AFAERN Cc1cc(N)ccc1NCC1CCC1 37180412 343162186 /nfs/dbraw/zinc/16/21/86/343162186.db2.gz XDGSARAMADUVBR-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CC(C)Sc1ccc(N)cc1 37182503 343162310 /nfs/dbraw/zinc/16/23/10/343162310.db2.gz LARPKBYKCBGIEF-UHFFFAOYSA-N 0 0 167.277 2.769 10 0 AFAERN Cc1csc(NCC2CCC2)n1 37180894 343162363 /nfs/dbraw/zinc/16/23/63/343162363.db2.gz CCXUFGUJKFKUKM-UHFFFAOYSA-N 0 0 182.292 2.664 10 0 AFAERN CC[C@@H](Nc1cccnc1)C(C)C 37187132 343162427 /nfs/dbraw/zinc/16/24/27/343162427.db2.gz OAXGCVZVYPACRT-LLVKDONJSA-N 0 0 178.279 2.928 10 0 AFAERN CC(C)Sc1ccc(F)cc1N 37195214 343162444 /nfs/dbraw/zinc/16/24/44/343162444.db2.gz OMGIFMJAYVRLNP-UHFFFAOYSA-N 0 0 185.267 2.908 10 0 AFAERN Cc1cc(N)ccc1SC(F)F 37193758 343162489 /nfs/dbraw/zinc/16/24/89/343162489.db2.gz OGWHAMYTQZZCPP-UHFFFAOYSA-N 0 0 189.230 2.892 10 0 AFAERN Cc1ccc(NCC2CCC2)nc1 37180886 343162506 /nfs/dbraw/zinc/16/25/06/343162506.db2.gz KFJQAAKULRPOKP-UHFFFAOYSA-N 0 0 176.263 2.602 10 0 AFAERN CC(C)Sc1ccc(N)cc1F 37194544 343162514 /nfs/dbraw/zinc/16/25/14/343162514.db2.gz SMZQADJHSGGZLW-UHFFFAOYSA-N 0 0 185.267 2.908 10 0 AFAERN CC[C@@H](Nc1c(C)n[nH]c1C)C(C)C 37261634 343164487 /nfs/dbraw/zinc/16/44/87/343164487.db2.gz QXUGVOWXXBYIKH-SNVBAGLBSA-N 0 0 195.310 2.873 10 0 AFAERN C[C@H](Nc1cn[nH]c1)C1CCCCC1 37260804 343164770 /nfs/dbraw/zinc/16/47/70/343164770.db2.gz BOGCMOJWAYILHI-VIFPVBQESA-N 0 0 193.294 2.790 10 0 AFAERN Cc1ccc(NCC2CCCC2)nc1 37258815 343164813 /nfs/dbraw/zinc/16/48/13/343164813.db2.gz OOQVRSGZHDTORP-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN C[C@H]1CCC[C@H](n2cn[nH]c2=S)C1 37256430 343164839 /nfs/dbraw/zinc/16/48/39/343164839.db2.gz ODZLHDXBHPLDOR-YUMQZZPRSA-N 0 0 197.307 2.692 10 0 AFAERN C[C@H]1CCC[C@@H](n2cn[nH]c2=S)C1 37256434 343164926 /nfs/dbraw/zinc/16/49/26/343164926.db2.gz ODZLHDXBHPLDOR-JGVFFNPUSA-N 0 0 197.307 2.692 10 0 AFAERN CCSCC(=O)c1cccc(C)c1 37353131 343165724 /nfs/dbraw/zinc/16/57/24/343165724.db2.gz YKEQGXNZJHBVFN-UHFFFAOYSA-N 0 0 194.299 2.931 10 0 AFAERN CC(=O)[C@H](C)O[C@H]1CCC[C@H](C)C1 37350565 343165820 /nfs/dbraw/zinc/16/58/20/343165820.db2.gz LVSHNLMZNIDNCN-LSJOCFKGSA-N 0 0 184.279 2.559 10 0 AFAERN COCC(=O)c1ccc(C(C)C)cc1 37346684 343165827 /nfs/dbraw/zinc/16/58/27/343165827.db2.gz FRDXDGOXTDXZAF-UHFFFAOYSA-N 0 0 192.258 2.639 10 0 AFAERN CCSCC(=O)c1ccccc1C 37353291 343165957 /nfs/dbraw/zinc/16/59/57/343165957.db2.gz UQKHMGWAEKCDBK-UHFFFAOYSA-N 0 0 194.299 2.931 10 0 AFAERN CCSCC(=O)Cc1ccccc1 37353283 343165998 /nfs/dbraw/zinc/16/59/98/343165998.db2.gz RVFSIYJKCGMCJE-UHFFFAOYSA-N 0 0 194.299 2.551 10 0 AFAERN CC(C)C[C@]1(O)CCc2ccccc21 37376173 343166244 /nfs/dbraw/zinc/16/62/44/343166244.db2.gz XPAPGMZPPYTFPI-CYBMUJFWSA-N 0 0 190.286 2.867 10 0 AFAERN CCC1CCC(O)(C(C)C)CC1 37375620 343166249 /nfs/dbraw/zinc/16/62/49/343166249.db2.gz STSFYHHKPDTLJF-UHFFFAOYSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@]1(O)CCC[C@H](C)C1 37375469 343166251 /nfs/dbraw/zinc/16/62/51/343166251.db2.gz RXPYDHQKKLDTEZ-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@]1(O)CCC[C@H](C)C1 37375437 343166254 /nfs/dbraw/zinc/16/62/54/343166254.db2.gz FLDULGZAEKFCIK-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@]1(O)CCCc2ccccc21 37376116 343166288 /nfs/dbraw/zinc/16/62/88/343166288.db2.gz JSESDXVIAPQTIM-CYBMUJFWSA-N 0 0 190.286 2.867 10 0 AFAERN CC(C)[C@@]1(O)CCCc2ccccc21 37376119 343166326 /nfs/dbraw/zinc/16/63/26/343166326.db2.gz JSESDXVIAPQTIM-ZDUSSCGKSA-N 0 0 190.286 2.867 10 0 AFAERN CC[C@]1(O)CCCc2ccccc21 37376111 343166378 /nfs/dbraw/zinc/16/63/78/343166378.db2.gz VYHILIYITIZZDG-LBPRGKRZSA-N 0 0 176.259 2.621 10 0 AFAERN CC(C)[C@@]1(O)CCC[C@H](C)C1 37375433 343166417 /nfs/dbraw/zinc/16/64/17/343166417.db2.gz FLDULGZAEKFCIK-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC1(O)CCCCCC1 37376062 343166437 /nfs/dbraw/zinc/16/64/37/343166437.db2.gz GOSPLOCGQRJWPG-UHFFFAOYSA-N 0 0 156.269 2.872 10 0 AFAERN CC(C)[C@@]1(O)CCC[C@@H](C)C1 37375431 343166452 /nfs/dbraw/zinc/16/64/52/343166452.db2.gz FLDULGZAEKFCIK-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@@]1(O)CCCC[C@@H]1C 37375759 343166466 /nfs/dbraw/zinc/16/64/66/343166466.db2.gz UKBWXNXBIGLPIY-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@]1(O)CCC[C@@H](C)C1 37375467 343166474 /nfs/dbraw/zinc/16/64/74/343166474.db2.gz RXPYDHQKKLDTEZ-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC1CCC(C)(O)CC1 37375509 343166482 /nfs/dbraw/zinc/16/64/82/343166482.db2.gz QEBXTKADIBCPSU-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)[C@]1(O)CCCC[C@@H]1C 37375765 343166517 /nfs/dbraw/zinc/16/65/17/343166517.db2.gz UKBWXNXBIGLPIY-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN CCC(O)(CC)C1CCCC1 37380342 343166768 /nfs/dbraw/zinc/16/67/68/343166768.db2.gz ILKRALRURSWPSL-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)[C@@](C)(O)c1ccccc1F 37379511 343166821 /nfs/dbraw/zinc/16/68/21/343166821.db2.gz WXCKFJRYCHOYHI-LLVKDONJSA-N 0 0 182.238 2.689 10 0 AFAERN CC[C@@](C)(O)c1ccccc1Cl 37379740 343166911 /nfs/dbraw/zinc/16/69/11/343166911.db2.gz FYWKDPUUDFTGPJ-SNVBAGLBSA-N 0 0 184.666 2.958 10 0 AFAERN C[C@H]1C[C@H]1c1nc2ccccc2[nH]1 37387785 343167205 /nfs/dbraw/zinc/16/72/05/343167205.db2.gz JKAYZQKVTOYMLW-JGVFFNPUSA-N 0 0 172.231 2.686 10 0 AFAERN C[C@H]1C[C@@H]1c1nc2ccccc2[nH]1 37387781 343167219 /nfs/dbraw/zinc/16/72/19/343167219.db2.gz JKAYZQKVTOYMLW-YUMQZZPRSA-N 0 0 172.231 2.686 10 0 AFAERN CC(C)[C@](C)(O)Cc1ccccc1 37380389 343167254 /nfs/dbraw/zinc/16/72/54/343167254.db2.gz ARZFMWIGSZDAGR-GFCCVEGCSA-N 0 0 178.275 2.636 10 0 AFAERN CC(C)[C@](C)(O)C1CCCCC1 37380367 343167294 /nfs/dbraw/zinc/16/72/94/343167294.db2.gz PPPGRLSKGKXZRI-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@@](C)(O)Cc1ccccc1 37380392 343167316 /nfs/dbraw/zinc/16/73/16/343167316.db2.gz ARZFMWIGSZDAGR-LBPRGKRZSA-N 0 0 178.275 2.636 10 0 AFAERN CCn1c(=S)[nH]c2c(F)cccc21 37422292 343168130 /nfs/dbraw/zinc/16/81/30/343168130.db2.gz BEUOIPKETOEIJZ-UHFFFAOYSA-N 0 0 196.250 2.858 10 0 AFAERN CC(C)[C@@H](C)Nc1cccc(F)c1N 37419298 343168194 /nfs/dbraw/zinc/16/81/94/343168194.db2.gz WEOGADCMCBCUHL-MRVPVSSYSA-N 0 0 196.269 2.864 10 0 AFAERN CC[C@H](C)Nc1cccc(F)c1N 37419141 343168198 /nfs/dbraw/zinc/16/81/98/343168198.db2.gz UZHNSLCMELOBPZ-ZETCQYMHSA-N 0 0 182.242 2.618 10 0 AFAERN CC[C@H](C)N(C)c1cccc(F)c1N 37419566 343168262 /nfs/dbraw/zinc/16/82/62/343168262.db2.gz SVWOKJGLKMORIW-QMMMGPOBSA-N 0 0 196.269 2.643 10 0 AFAERN CC(C)[C@H](C)Nc1cccc(F)c1N 37419300 343168267 /nfs/dbraw/zinc/16/82/67/343168267.db2.gz WEOGADCMCBCUHL-QMMMGPOBSA-N 0 0 196.269 2.864 10 0 AFAERN CC(C)[C@H](O)c1cccc(F)c1 37464437 343169044 /nfs/dbraw/zinc/16/90/44/343169044.db2.gz KZQYEWWCTVRAQB-JTQLQIEISA-N 0 0 168.211 2.515 10 0 AFAERN Cc1cccc(C(=O)c2ccncc2)c1 37464038 343169049 /nfs/dbraw/zinc/16/90/49/343169049.db2.gz OSZYDXLOMSPYJH-UHFFFAOYSA-N 0 0 197.237 2.621 10 0 AFAERN Cc1cccc(C[C@@](C)(O)C2CC2)c1 37463692 343169052 /nfs/dbraw/zinc/16/90/52/343169052.db2.gz WLHPTIYKIRRPSF-CYBMUJFWSA-N 0 0 190.286 2.699 10 0 AFAERN CC(C)[C@](C)(O)Cc1cccc(F)c1 37463655 343169065 /nfs/dbraw/zinc/16/90/65/343169065.db2.gz OFXFCVREWXSNFX-GFCCVEGCSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)[C@@H](O)c1cccc(F)c1 37464439 343169067 /nfs/dbraw/zinc/16/90/67/343169067.db2.gz KZQYEWWCTVRAQB-SNVBAGLBSA-N 0 0 168.211 2.515 10 0 AFAERN CC[C@](C)(O)Cc1ccccc1F 37463573 343169132 /nfs/dbraw/zinc/16/91/32/343169132.db2.gz OVAVZRLVNNSEJM-NSHDSACASA-N 0 0 182.238 2.529 10 0 AFAERN CC(C)[C@@](C)(O)Cc1ccccc1F 37463642 343169165 /nfs/dbraw/zinc/16/91/65/343169165.db2.gz NMLQEPWLXNTAAI-LBPRGKRZSA-N 0 0 196.265 2.775 10 0 AFAERN Cc1cccc(C[C@](C)(O)C(C)C)c1 37463644 343169200 /nfs/dbraw/zinc/16/92/00/343169200.db2.gz MDIXMDUGIWJWQF-ZDUSSCGKSA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@@](C)(O)Cc1ccccc1F 37463575 343169215 /nfs/dbraw/zinc/16/92/15/343169215.db2.gz OVAVZRLVNNSEJM-LLVKDONJSA-N 0 0 182.238 2.529 10 0 AFAERN CC(C)[C@@](C)(O)Cc1ccc(F)cc1 37463653 343169218 /nfs/dbraw/zinc/16/92/18/343169218.db2.gz HIWDYTQRWYBHFD-LBPRGKRZSA-N 0 0 196.265 2.775 10 0 AFAERN Cc1cccc([C@@H](O)C(C)C)c1 37465365 343169227 /nfs/dbraw/zinc/16/92/27/343169227.db2.gz UYYHKLGBTMJVLI-NSHDSACASA-N 0 0 164.248 2.684 10 0 AFAERN Cc1cccc(C[C@@](C)(O)C(C)C)c1 37463646 343169252 /nfs/dbraw/zinc/16/92/52/343169252.db2.gz MDIXMDUGIWJWQF-CYBMUJFWSA-N 0 0 192.302 2.945 10 0 AFAERN CC(C)[C@@](C)(O)Cc1cccc(F)c1 37463657 343169254 /nfs/dbraw/zinc/16/92/54/343169254.db2.gz OFXFCVREWXSNFX-LBPRGKRZSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)[C@](C)(O)Cc1ccccc1F 37463640 343169266 /nfs/dbraw/zinc/16/92/66/343169266.db2.gz NMLQEPWLXNTAAI-GFCCVEGCSA-N 0 0 196.265 2.775 10 0 AFAERN Cc1cccc(CC2(O)CCCC2)c1 37463364 343169279 /nfs/dbraw/zinc/16/92/79/343169279.db2.gz GDIGXSNOPRWYNY-UHFFFAOYSA-N 0 0 190.286 2.843 10 0 AFAERN CC[C@](C)(O)Cc1ccc(F)cc1 37463585 343169302 /nfs/dbraw/zinc/16/93/02/343169302.db2.gz DSEIERVRFUSZCA-NSHDSACASA-N 0 0 182.238 2.529 10 0 AFAERN Cc1ccc(C[C@](C)(O)C2CC2)cc1 37463674 343169310 /nfs/dbraw/zinc/16/93/10/343169310.db2.gz DELUNDCCSXRQOV-ZDUSSCGKSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1cccc(C[C@@H](O)C(C)(C)C)c1 37465640 343169492 /nfs/dbraw/zinc/16/94/92/343169492.db2.gz ZWZSHTXIRZVGED-GFCCVEGCSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1ccc(C[C@@H](O)C(C)(C)C)cc1 37465622 343169526 /nfs/dbraw/zinc/16/95/26/343169526.db2.gz GEPNVEWFQDZPFT-GFCCVEGCSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1ccc(C[C@H](O)C(C)(C)C)cc1 37465621 343169538 /nfs/dbraw/zinc/16/95/38/343169538.db2.gz GEPNVEWFQDZPFT-LBPRGKRZSA-N 0 0 192.302 2.945 10 0 AFAERN C[C@H](Nc1cccnc1)C1(C)CC1 37467543 343169541 /nfs/dbraw/zinc/16/95/41/343169541.db2.gz PPTHWLUTWRDWJS-VIFPVBQESA-N 0 0 176.263 2.682 10 0 AFAERN Cc1cccc(C[C@H](O)C(C)(C)C)c1 37465638 343169545 /nfs/dbraw/zinc/16/95/45/343169545.db2.gz ZWZSHTXIRZVGED-LBPRGKRZSA-N 0 0 192.302 2.945 10 0 AFAERN CCC[C@H](O)Cc1ccccc1C 37465530 343169550 /nfs/dbraw/zinc/16/95/50/343169550.db2.gz KFTXHIQXBCGKCF-LBPRGKRZSA-N 0 0 178.275 2.699 10 0 AFAERN CCC[C@@H](O)Cc1ccccc1C 37465532 343169586 /nfs/dbraw/zinc/16/95/86/343169586.db2.gz KFTXHIQXBCGKCF-GFCCVEGCSA-N 0 0 178.275 2.699 10 0 AFAERN CCC[C@@H](O)Cc1cccc(C)c1 37465528 343169625 /nfs/dbraw/zinc/16/96/25/343169625.db2.gz RNWOASSFPUPGRO-GFCCVEGCSA-N 0 0 178.275 2.699 10 0 AFAERN CCC[C@H](O)Cc1cccc(C)c1 37465526 343169638 /nfs/dbraw/zinc/16/96/38/343169638.db2.gz RNWOASSFPUPGRO-LBPRGKRZSA-N 0 0 178.275 2.699 10 0 AFAERN C[C@H](c1ccc(N)cc1)n1cccc1 37484007 343171499 /nfs/dbraw/zinc/17/14/99/343171499.db2.gz ICFKRWDSIQFONT-SNVBAGLBSA-N 0 0 186.258 2.680 10 0 AFAERN C[C@H](c1ccccc1N)n1cccc1 37484011 343171626 /nfs/dbraw/zinc/17/16/26/343171626.db2.gz WAJGBLGPBHKBSO-SNVBAGLBSA-N 0 0 186.258 2.680 10 0 AFAERN Cc1cc(N[C@H](C)C(C)C)nc(C)n1 37498687 343172064 /nfs/dbraw/zinc/17/20/64/343172064.db2.gz KMQAEKWOHBNYDZ-SECBINFHSA-N 0 0 193.294 2.550 10 0 AFAERN Cc1cc(N[C@@H](C)C(C)C)nc(C)n1 37498686 343172108 /nfs/dbraw/zinc/17/21/08/343172108.db2.gz KMQAEKWOHBNYDZ-VIFPVBQESA-N 0 0 193.294 2.550 10 0 AFAERN CCC(=O)CSc1ccccc1 37625851 343172380 /nfs/dbraw/zinc/17/23/80/343172380.db2.gz ASZHUODKMNJAIR-UHFFFAOYSA-N 0 0 180.272 2.758 10 0 AFAERN Cc1nccnc1Sc1ccco1 37594001 343172426 /nfs/dbraw/zinc/17/24/26/343172426.db2.gz ALJUGXJDWJIPNE-UHFFFAOYSA-N 0 0 192.243 2.529 10 0 AFAERN CC(C)CC(=O)CCc1ccco1 37625434 343172465 /nfs/dbraw/zinc/17/24/65/343172465.db2.gz HVHIHALEBQPOKH-UHFFFAOYSA-N 0 0 180.247 2.827 10 0 AFAERN C[C@H]1Cc2ccccc2S1 37625827 343172514 /nfs/dbraw/zinc/17/25/14/343172514.db2.gz ZEAQOIXHQBWPOW-ZETCQYMHSA-N 0 0 150.246 2.723 10 0 AFAERN Oc1ccc(Cl)c(Cl)c1F 37594079 343172532 /nfs/dbraw/zinc/17/25/32/343172532.db2.gz PYNATBPUJOURNL-UHFFFAOYSA-N 0 0 180.993 2.838 10 0 AFAERN Cc1cnc2cccc(C)c2c1 37633964 343172707 /nfs/dbraw/zinc/17/27/07/343172707.db2.gz JOAWUJDFFAMORU-UHFFFAOYSA-N 0 0 157.216 2.852 10 0 AFAERN O=[N+]([O-])C1=CCCCCCC1 37632024 343172768 /nfs/dbraw/zinc/17/27/68/343172768.db2.gz LNMRSKLLRKNZGP-UHFFFAOYSA-N 0 0 155.197 2.501 10 0 AFAERN CCCCCCC1=C(O)CCC1=O 37630016 343172817 /nfs/dbraw/zinc/17/28/17/343172817.db2.gz KZCIQAUPRRFEPM-UHFFFAOYSA-N 0 0 182.263 2.505 10 0 AFAERN CC[C@H](C)Nc1cc(N)cc(F)c1 37666661 343173226 /nfs/dbraw/zinc/17/32/26/343173226.db2.gz FVOYNDXHBMFREC-ZETCQYMHSA-N 0 0 182.242 2.618 10 0 AFAERN Cc1cccc(N[C@H](C)C(C)C)n1 37670624 343173240 /nfs/dbraw/zinc/17/32/40/343173240.db2.gz PDARLHATRCPCDX-SNVBAGLBSA-N 0 0 178.279 2.846 10 0 AFAERN CC[C@H](C)Nc1cccc(C)n1 37670483 343173294 /nfs/dbraw/zinc/17/32/94/343173294.db2.gz HOTJMOOFPXVTKX-QMMMGPOBSA-N 0 0 164.252 2.600 10 0 AFAERN Cc1cccc(N[C@@H](C)C(C)C)n1 37670622 343173408 /nfs/dbraw/zinc/17/34/08/343173408.db2.gz PDARLHATRCPCDX-JTQLQIEISA-N 0 0 178.279 2.846 10 0 AFAERN C[C@H](Nc1cc(N)cc(F)c1)C1CC1 37667995 343173453 /nfs/dbraw/zinc/17/34/53/343173453.db2.gz RQLCOCWMHWDXFF-ZETCQYMHSA-N 0 0 194.253 2.618 10 0 AFAERN CC(C)Sc1cccc(F)c1N 37685027 343173673 /nfs/dbraw/zinc/17/36/73/343173673.db2.gz VWGATEBHWJTOGV-UHFFFAOYSA-N 0 0 185.267 2.908 10 0 AFAERN Cc1cnn(-c2ccc(Cl)cc2)c1 37676740 343173683 /nfs/dbraw/zinc/17/36/83/343173683.db2.gz UPZMRMBIHSJSIQ-UHFFFAOYSA-N 0 0 192.649 2.834 10 0 AFAERN CC(C)Sc1cccc(N)c1 37685028 343173723 /nfs/dbraw/zinc/17/37/23/343173723.db2.gz LQHCJNXJRJAKIC-UHFFFAOYSA-N 0 0 167.277 2.769 10 0 AFAERN Cc1cc(C)cc(-n2cc(C)cn2)c1 37676757 343173770 /nfs/dbraw/zinc/17/37/70/343173770.db2.gz DPKCNYDMCUFSKG-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN CC(C)Sc1cc(N)cc(F)c1 37685030 343173778 /nfs/dbraw/zinc/17/37/78/343173778.db2.gz PVQNSQMZDSGLOX-UHFFFAOYSA-N 0 0 185.267 2.908 10 0 AFAERN Cc1ccc(-n2cc(C)cn2)c(C)c1 37676731 343173840 /nfs/dbraw/zinc/17/38/40/343173840.db2.gz UUIKLGGJUQQJKJ-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN Cc1cnn(-c2ccccc2Cl)c1 37676732 343173864 /nfs/dbraw/zinc/17/38/64/343173864.db2.gz LIVAPVICEMYETK-UHFFFAOYSA-N 0 0 192.649 2.834 10 0 AFAERN CC(C)SCc1ccc(O)c(N)c1 37685521 343173901 /nfs/dbraw/zinc/17/39/01/343173901.db2.gz SMVWORGAZFUHDZ-UHFFFAOYSA-N 0 0 197.303 2.616 10 0 AFAERN CC(C)S[C@H]1CCCCC1=O 37687529 343174118 /nfs/dbraw/zinc/17/41/18/343174118.db2.gz CCGTUEMUZRPJPB-VIFPVBQESA-N 0 0 172.293 2.640 10 0 AFAERN CC(C)Sc1nsnc1Cl 37685973 343174234 /nfs/dbraw/zinc/17/42/34/343174234.db2.gz JPBMSFBLVUIECE-UHFFFAOYSA-N 0 0 194.712 2.692 10 0 AFAERN CC[C@H](O)CNc1ccccc1Cl 37688550 343174316 /nfs/dbraw/zinc/17/43/16/343174316.db2.gz QTQPFOZCNUDSKS-QMMMGPOBSA-N 0 0 199.681 2.523 10 0 AFAERN CC[C@@H](O)CNc1ccccc1Cl 37688551 343174335 /nfs/dbraw/zinc/17/43/35/343174335.db2.gz QTQPFOZCNUDSKS-MRVPVSSYSA-N 0 0 199.681 2.523 10 0 AFAERN CC[C@H](C)S[C@H]1CCCC[C@@H]1O 37697106 343176258 /nfs/dbraw/zinc/17/62/58/343176258.db2.gz VTPGYACBVSYOLO-GUBZILKMSA-N 0 0 188.336 2.822 10 0 AFAERN CC[C@H](C)S[C@@H]1CCCC[C@@H]1O 37697104 343176360 /nfs/dbraw/zinc/17/63/60/343176360.db2.gz VTPGYACBVSYOLO-LPEHRKFASA-N 0 0 188.336 2.822 10 0 AFAERN CC[C@H](C)[C@](C)(O)C1CCCC1 37745627 343177438 /nfs/dbraw/zinc/17/74/38/343177438.db2.gz QDIQWQKMKNPHGY-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(C)cc([C@@H](O)C2CC2)c1 37746069 343177662 /nfs/dbraw/zinc/17/76/62/343177662.db2.gz ULOPQUPKWVSXRQ-LBPRGKRZSA-N 0 0 176.259 2.747 10 0 AFAERN Cc1cc(F)ccc1NCC(F)F 37755802 343177946 /nfs/dbraw/zinc/17/79/46/343177946.db2.gz QNKALMMZEGZYJR-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN Cc1ccc(C)c(NCC(F)F)c1 37755814 343177954 /nfs/dbraw/zinc/17/79/54/343177954.db2.gz LLBBLCPFXTYKBB-UHFFFAOYSA-N 0 0 185.217 2.980 10 0 AFAERN Cc1cccc(NCC(F)F)c1C 37755812 343177969 /nfs/dbraw/zinc/17/79/69/343177969.db2.gz ZCAQZISZKCNOMQ-UHFFFAOYSA-N 0 0 185.217 2.980 10 0 AFAERN CC[C@@H](O)c1cnc2ccccc2c1 37761689 343177988 /nfs/dbraw/zinc/17/79/88/343177988.db2.gz MJPYBBNYRQNHCT-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN CCc1cccc(NCC(F)F)c1 37755804 343178001 /nfs/dbraw/zinc/17/80/01/343178001.db2.gz XBNFQSIQPNGAKP-UHFFFAOYSA-N 0 0 185.217 2.926 10 0 AFAERN Cc1cccc(NCC(F)F)c1 37755666 343178037 /nfs/dbraw/zinc/17/80/37/343178037.db2.gz YSIYSHZHZVYFOT-UHFFFAOYSA-N 0 0 171.190 2.672 10 0 AFAERN CCc1ccc(-n2cccc2)cc1N 37757301 343178083 /nfs/dbraw/zinc/17/80/83/343178083.db2.gz AMJPTTOWUFLBAO-UHFFFAOYSA-N 0 0 186.258 2.622 10 0 AFAERN Cc1ccc(F)c(NCC(F)F)c1 37755837 343178117 /nfs/dbraw/zinc/17/81/17/343178117.db2.gz AAZPAJKNEWAUIB-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN Cc1ccc(NCC(F)F)cc1C 37755771 343178169 /nfs/dbraw/zinc/17/81/69/343178169.db2.gz NBPHLSIYJPBDJU-UHFFFAOYSA-N 0 0 185.217 2.980 10 0 AFAERN CC[C@H](O)c1cnc2ccccc2c1 37761688 343178175 /nfs/dbraw/zinc/17/81/75/343178175.db2.gz MJPYBBNYRQNHCT-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN CCc1ccc(NCC(F)F)cc1 37755795 343178189 /nfs/dbraw/zinc/17/81/89/343178189.db2.gz HMWDGJOSJDSOFU-UHFFFAOYSA-N 0 0 185.217 2.926 10 0 AFAERN Cc1nn(C(C)C)c(C)c1NC(C)C 37787357 343178642 /nfs/dbraw/zinc/17/86/42/343178642.db2.gz IIDRAXMMCRHCSA-UHFFFAOYSA-N 0 0 195.310 2.901 10 0 AFAERN Cc1cc(N2CCC[C@H]2C)ccc1N 37910036 343180104 /nfs/dbraw/zinc/18/01/04/343180104.db2.gz DKHVVASYPAQWOE-SNVBAGLBSA-N 0 0 190.290 2.566 10 0 AFAERN C[C@H](Nc1ccccc1)c1cc[nH]n1 37906317 343180196 /nfs/dbraw/zinc/18/01/96/343180196.db2.gz VQUIYTQZHFJJOR-VIFPVBQESA-N 0 0 187.246 2.583 10 0 AFAERN Cc1ccc(N2CCC[C@H]2C)c(N)c1 37910018 343180377 /nfs/dbraw/zinc/18/03/77/343180377.db2.gz NBYPXXBVJRBBQO-SNVBAGLBSA-N 0 0 190.290 2.566 10 0 AFAERN Cc1ccc(N2CCC[C@@H]2C)c(N)c1 37910017 343180522 /nfs/dbraw/zinc/18/05/22/343180522.db2.gz NBYPXXBVJRBBQO-JTQLQIEISA-N 0 0 190.290 2.566 10 0 AFAERN Cc1cc(N2CCC[C@@H]2C)ccc1N 37910035 343180525 /nfs/dbraw/zinc/18/05/25/343180525.db2.gz DKHVVASYPAQWOE-JTQLQIEISA-N 0 0 190.290 2.566 10 0 AFAERN Cc1cccc(-c2noc(Cl)n2)c1 37926768 343182100 /nfs/dbraw/zinc/18/21/00/343182100.db2.gz ZEHOUCXMPGYMGX-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CC(C)CCCNc1ccccn1 37998880 343182961 /nfs/dbraw/zinc/18/29/61/343182961.db2.gz CEFMABHCXBXSSY-UHFFFAOYSA-N 0 0 178.279 2.930 10 0 AFAERN CCc1ccc(-c2ncc[nH]2)cc1 37974135 343182979 /nfs/dbraw/zinc/18/29/79/343182979.db2.gz MEYVERJDFPIURX-UHFFFAOYSA-N 0 0 172.231 2.639 10 0 AFAERN Cc1ccc(-c2nc(C=O)cs2)o1 37974082 343182993 /nfs/dbraw/zinc/18/29/93/343182993.db2.gz RFOZYEUADPYHBK-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1cc(-c2cccnc2)ccc1N 38068922 343184030 /nfs/dbraw/zinc/18/40/30/343184030.db2.gz QBQAQXQSXIWOSZ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccc(N)c(-c2cccnc2)c1 38068921 343184046 /nfs/dbraw/zinc/18/40/46/343184046.db2.gz RNDMLVAPZSGYJS-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccc(C(C)C)c2c1OCC2=O 38052828 343184048 /nfs/dbraw/zinc/18/40/48/343184048.db2.gz UEIBVMWHPZNZGK-UHFFFAOYSA-N 0 0 190.242 2.694 10 0 AFAERN Cc1cc(C)cc(C[C@H](O)C2CC2)c1 38077264 343184366 /nfs/dbraw/zinc/18/43/66/343184366.db2.gz IBWZKJCGYIHNPF-ZDUSSCGKSA-N 0 0 190.286 2.617 10 0 AFAERN C[C@](O)(c1ccccc1Cl)C1CC1 38078288 343184564 /nfs/dbraw/zinc/18/45/64/343184564.db2.gz IWOQAFBOQQVQJE-LLVKDONJSA-N 0 0 196.677 2.958 10 0 AFAERN CC[C@@](C)(CO)Nc1cccc(C)c1 38115088 343184884 /nfs/dbraw/zinc/18/48/84/343184884.db2.gz JIMLTOSHHBEYME-LBPRGKRZSA-N 0 0 193.290 2.568 10 0 AFAERN CC[C@](C)(CO)Nc1cccc(C)c1 38115089 343184976 /nfs/dbraw/zinc/18/49/76/343184976.db2.gz JIMLTOSHHBEYME-GFCCVEGCSA-N 0 0 193.290 2.568 10 0 AFAERN CC[C@](C)(CO)Nc1ccc(C)cc1 38112209 343185020 /nfs/dbraw/zinc/18/50/20/343185020.db2.gz MXRVRQFFSODEDZ-GFCCVEGCSA-N 0 0 193.290 2.568 10 0 AFAERN Cc1ccc(CC(=O)[C@H]2C[C@H]2C)cc1 38126984 343185179 /nfs/dbraw/zinc/18/51/79/343185179.db2.gz XYXKMPOUOLVWKG-PWSUYJOCSA-N 0 0 188.270 2.763 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)Cc1cccc(F)c1 38126730 343185242 /nfs/dbraw/zinc/18/52/42/343185242.db2.gz UOUQCQJVJZNLPF-KWQFWETISA-N 0 0 192.233 2.593 10 0 AFAERN C[C@H]1C[C@H]1C(=O)Cc1ccccc1F 38126818 343185283 /nfs/dbraw/zinc/18/52/83/343185283.db2.gz TUWAOFCXDBRPDE-WCBMZHEXSA-N 0 0 192.233 2.593 10 0 AFAERN Cc1ccc(CC(=O)[C@H]2C[C@@H]2C)cc1 38126982 343185296 /nfs/dbraw/zinc/18/52/96/343185296.db2.gz XYXKMPOUOLVWKG-JQWIXIFHSA-N 0 0 188.270 2.763 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)Cc1ccccc1F 38126816 343185347 /nfs/dbraw/zinc/18/53/47/343185347.db2.gz TUWAOFCXDBRPDE-WPRPVWTQSA-N 0 0 192.233 2.593 10 0 AFAERN Cc1ccc(CC(=O)[C@@H]2C[C@@H]2C)cc1 38126981 343185360 /nfs/dbraw/zinc/18/53/60/343185360.db2.gz XYXKMPOUOLVWKG-CMPLNLGQSA-N 0 0 188.270 2.763 10 0 AFAERN C[C@H](O)/C=C/C1CCCCC1 38220307 343185415 /nfs/dbraw/zinc/18/54/15/343185415.db2.gz YZVAHJQHXUSGJH-FLOXNTQESA-N 0 0 154.253 2.504 10 0 AFAERN S=c1cc(-c2ccccc2)cn[nH]1 38212673 343185460 /nfs/dbraw/zinc/18/54/60/343185460.db2.gz ZXGKRJASFQVREF-UHFFFAOYSA-N 0 0 188.255 2.806 10 0 AFAERN C=Cc1cc(Br)ccc1O 38218711 343185623 /nfs/dbraw/zinc/18/56/23/343185623.db2.gz VRSJFSDJOCXVQX-UHFFFAOYSA-N 0 0 199.047 2.798 10 0 AFAERN C[C@@H](O)[C@@H](C)SCc1ccccc1 38258675 343186137 /nfs/dbraw/zinc/18/61/37/343186137.db2.gz VMVYTJBEBGCESM-NXEZZACHSA-N 0 0 196.315 2.689 10 0 AFAERN C=C=COCc1ccccc1 38265366 343186237 /nfs/dbraw/zinc/18/62/37/343186237.db2.gz LXRBTOHAJIXCIP-UHFFFAOYSA-N 0 0 146.189 2.502 10 0 AFAERN N#[N+]c1cc(-c2ccccc2)n[n-]1 38252003 343186282 /nfs/dbraw/zinc/18/62/82/343186282.db2.gz AYKRBEYFHXGSTP-UHFFFAOYSA-N 0 0 171.183 2.561 10 0 AFAERN C[C@H](O)[C@H](C)SCc1ccccc1 38258677 343186291 /nfs/dbraw/zinc/18/62/91/343186291.db2.gz VMVYTJBEBGCESM-UWVGGRQHSA-N 0 0 196.315 2.689 10 0 AFAERN CCCc1nc(C)oc1CCC 38265716 343186293 /nfs/dbraw/zinc/18/62/93/343186293.db2.gz GGYAMDXGSYHULT-UHFFFAOYSA-N 0 0 167.252 2.888 10 0 AFAERN C[C@H](SCc1ccccc1)[C@@H](C)O 38258678 343186302 /nfs/dbraw/zinc/18/63/02/343186302.db2.gz VMVYTJBEBGCESM-ZJUUUORDSA-N 0 0 196.315 2.689 10 0 AFAERN C[C@H](O)[C@@H](C)SCc1ccccc1 38258674 343186307 /nfs/dbraw/zinc/18/63/07/343186307.db2.gz VMVYTJBEBGCESM-VHSXEESVSA-N 0 0 196.315 2.689 10 0 AFAERN C=C/C=C/c1ccc(N(C)C)cc1 38251289 343186368 /nfs/dbraw/zinc/18/63/68/343186368.db2.gz QIJYPXSQECGLIG-AATRIKPKSA-N 0 0 173.259 2.952 10 0 AFAERN C[C@]1(Cl)CCc2ccccc2C1=O 38283447 343186571 /nfs/dbraw/zinc/18/65/71/343186571.db2.gz NGABYHGSKDOQKJ-NSHDSACASA-N 0 0 194.661 2.813 10 0 AFAERN CC[C@H](C)c1cccc(C)n1 38292457 343186579 /nfs/dbraw/zinc/18/65/79/343186579.db2.gz GGBPAKMVBXFOAD-QMMMGPOBSA-N 0 0 149.237 2.904 10 0 AFAERN C=CC[C@@H](CC)C(=O)CCC 38292504 343186664 /nfs/dbraw/zinc/18/66/64/343186664.db2.gz KQVITHXADANQKX-SECBINFHSA-N 0 0 154.253 2.958 10 0 AFAERN O[C@@H]1CCCC=C1c1ccccc1 38301655 343186869 /nfs/dbraw/zinc/18/68/69/343186869.db2.gz SSZZWKMSCLLYGN-GFCCVEGCSA-N 0 0 174.243 2.615 10 0 AFAERN COCc1cnc(Cl)c(Cl)c1 38293012 343186962 /nfs/dbraw/zinc/18/69/62/343186962.db2.gz AISNFZLSRAEWSN-UHFFFAOYSA-N 0 0 192.045 2.535 10 0 AFAERN CC(=S)N[C@H](C)c1ccccc1 38292764 343186969 /nfs/dbraw/zinc/18/69/69/343186969.db2.gz VBKCRGYJCBGCIV-MRVPVSSYSA-N 0 0 179.288 2.685 10 0 AFAERN CC[C@]1(C)CCCC(=O)C1 38312157 343186970 /nfs/dbraw/zinc/18/69/70/343186970.db2.gz HPFWICIZVJFFNM-SECBINFHSA-N 0 0 140.226 2.546 10 0 AFAERN COc1ccc([C@@H]2CC=CO2)cc1 38312378 343187014 /nfs/dbraw/zinc/18/70/14/343187014.db2.gz DOOZVJYXJURTFU-NSHDSACASA-N 0 0 176.215 2.670 10 0 AFAERN CCOC(=O)/C=C(\F)c1ccccc1 38293053 343187016 /nfs/dbraw/zinc/18/70/16/343187016.db2.gz GTEFUNGKPJHLGC-NTMALXAHSA-N 0 0 194.205 2.560 10 0 AFAERN c1ccc(Nc2ccsn2)cc1 38338605 343187219 /nfs/dbraw/zinc/18/72/19/343187219.db2.gz QBWMBAIOCINMFX-UHFFFAOYSA-N 0 0 176.244 2.887 10 0 AFAERN COC(=O)CC/C=C/c1ccccc1 38338036 343187373 /nfs/dbraw/zinc/18/73/73/343187373.db2.gz UVUIVBGAUNLGSR-WEVVVXLNSA-N 0 0 190.242 2.653 10 0 AFAERN CC(C)c1ccc2nc(N)ccc2c1 38325690 343187483 /nfs/dbraw/zinc/18/74/83/343187483.db2.gz PQKIAOKUNATHFP-UHFFFAOYSA-N 0 0 186.258 2.940 10 0 AFAERN CCCCc1ccc2c(c1)CC(=O)N2 38392143 343188272 /nfs/dbraw/zinc/18/82/72/343188272.db2.gz JSUXWKVCRKZYRP-UHFFFAOYSA-N 0 0 189.258 2.524 10 0 AFAERN C=C[C@@H](C)C(=O)c1cccs1 38582928 343189211 /nfs/dbraw/zinc/18/92/11/343189211.db2.gz KDEOGERLNDHESK-SSDOTTSWSA-N 0 0 166.245 2.753 10 0 AFAERN C=C[C@H](C)C(=O)c1cccs1 38582926 343189238 /nfs/dbraw/zinc/18/92/38/343189238.db2.gz KDEOGERLNDHESK-ZETCQYMHSA-N 0 0 166.245 2.753 10 0 AFAERN Cc1ccc(C(F)(F)F)c(C)n1 38575737 343189467 /nfs/dbraw/zinc/18/94/67/343189467.db2.gz GJEDXWSYCJLOEF-UHFFFAOYSA-N 0 0 175.153 2.717 10 0 AFAERN CCc1[nH]nc2c1CCc1ccccc1-2 38584853 343189784 /nfs/dbraw/zinc/18/97/84/343189784.db2.gz CWVYICYOUZYJTM-UHFFFAOYSA-N 0 0 198.269 2.738 10 0 AFAERN CC[C@H](C)C/C=C/C(C)(C)O 38636102 343189804 /nfs/dbraw/zinc/18/98/04/343189804.db2.gz MPNPHWUUIRXMIS-ORZBULNSSA-N 0 0 156.269 2.750 10 0 AFAERN CCCC[C@@H](C)CC1OCCO1 38637271 343189868 /nfs/dbraw/zinc/18/98/68/343189868.db2.gz ZFHUCYSXTQCMMB-SECBINFHSA-N 0 0 172.268 2.576 10 0 AFAERN C[C@H](CCO)C1CCCCC1 38634150 343189935 /nfs/dbraw/zinc/18/99/35/343189935.db2.gz XHKHXJPTSALKON-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN CC(C)c1ccc2c(c1)CC(=O)CC2 38761394 343190095 /nfs/dbraw/zinc/19/00/95/343190095.db2.gz QOLYTPIXMXFELD-UHFFFAOYSA-N 0 0 188.270 2.868 10 0 AFAERN Cn1cnc2cc3ccccc3cc21 38760976 343190103 /nfs/dbraw/zinc/19/01/03/343190103.db2.gz RNNYMJUARRGCPD-UHFFFAOYSA-N 0 0 182.226 2.727 10 0 AFAERN Cc1ccnc(/C=C/c2ccccc2)n1 38761755 343190476 /nfs/dbraw/zinc/19/04/76/343190476.db2.gz IURNZGBTLUMRMY-BQYQJAHWSA-N 0 0 196.253 2.955 10 0 AFAERN CCOC(=O)/C=C\c1ccccc1C 38761578 343190547 /nfs/dbraw/zinc/19/05/47/343190547.db2.gz FVVNCRMEGJFCPL-HJWRWDBZSA-N 0 0 190.242 2.571 10 0 AFAERN CCc1cc2cccnc2s1 38841330 343190968 /nfs/dbraw/zinc/19/09/68/343190968.db2.gz WLCUFJNUDLNVFC-UHFFFAOYSA-N 0 0 163.245 2.859 10 0 AFAERN CC(=O)O[C@H](C)/C=C\c1ccccc1 38811915 343191071 /nfs/dbraw/zinc/19/10/71/343191071.db2.gz DSWDNUYFUXOVBI-HSTULFTRSA-N 0 0 190.242 2.651 10 0 AFAERN c1ccc(Sc2cccnn2)cc1 38865963 343191448 /nfs/dbraw/zinc/19/14/48/343191448.db2.gz LRQLUTDHIBNCHA-UHFFFAOYSA-N 0 0 188.255 2.628 10 0 AFAERN Cc1ncccc1OCc1ccccc1 38860021 343191549 /nfs/dbraw/zinc/19/15/49/343191549.db2.gz FVMFLPPFTXQBMR-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN C/C=C/C[C@@H](O)c1ccccc1 38864974 343191555 /nfs/dbraw/zinc/19/15/55/343191555.db2.gz GTPNDSIWHNAACI-KXMPLOMGSA-N 0 0 162.232 2.686 10 0 AFAERN CC(=O)[C@H]1Cc2ccccc2[C@@H]1C 38890595 343191874 /nfs/dbraw/zinc/19/18/74/343191874.db2.gz OEMUXOOUERCQQD-UFBFGSQYSA-N 0 0 174.243 2.551 10 0 AFAERN CCCCCC[C@@H]1CC=CC(=O)O1 38889655 343191894 /nfs/dbraw/zinc/19/18/94/343191894.db2.gz GIBRHZDBBPGGRM-SNVBAGLBSA-N 0 0 182.263 2.829 10 0 AFAERN Cc1ncc2ccsc2c1C 38891782 343191943 /nfs/dbraw/zinc/19/19/43/343191943.db2.gz AOFNFTGRWHIIOL-UHFFFAOYSA-N 0 0 163.245 2.913 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)[C@@H](C)C2 38885448 343191974 /nfs/dbraw/zinc/19/19/74/343191974.db2.gz WSZBTNOPLNPPTB-VIFPVBQESA-N 0 0 174.243 2.678 10 0 AFAERN CC(=O)[C@H]1Cc2ccccc2[C@H]1C 38890592 343191982 /nfs/dbraw/zinc/19/19/82/343191982.db2.gz OEMUXOOUERCQQD-PELKAZGASA-N 0 0 174.243 2.551 10 0 AFAERN CC(=O)[C@@H]1Cc2ccccc2[C@@H]1C 38890600 343192016 /nfs/dbraw/zinc/19/20/16/343192016.db2.gz OEMUXOOUERCQQD-QPUJVOFHSA-N 0 0 174.243 2.551 10 0 AFAERN CC(=O)[C@@H]1Cc2ccccc2[C@H]1C 38890598 343192017 /nfs/dbraw/zinc/19/20/17/343192017.db2.gz OEMUXOOUERCQQD-PRHODGIISA-N 0 0 174.243 2.551 10 0 AFAERN Cc1cc2c(s1)CCCC2 38887523 343192023 /nfs/dbraw/zinc/19/20/23/343192023.db2.gz DHTXDRJTOKACQP-UHFFFAOYSA-N 0 0 152.262 2.935 10 0 AFAERN Cc1cc([C@H](C)O)c2ccccc2n1 38888438 343192064 /nfs/dbraw/zinc/19/20/64/343192064.db2.gz XTYJKHWAOZYQLU-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)[C@H](C)C2 38885446 343192073 /nfs/dbraw/zinc/19/20/73/343192073.db2.gz WSZBTNOPLNPPTB-SECBINFHSA-N 0 0 174.243 2.678 10 0 AFAERN Cc1cc(Cc2ccccc2)n(C)c1 38950219 343192242 /nfs/dbraw/zinc/19/22/42/343192242.db2.gz MCNUMCVTFIKOCW-UHFFFAOYSA-N 0 0 185.270 2.924 10 0 AFAERN CC(C)=COC(=O)c1ccccc1 38949791 343192280 /nfs/dbraw/zinc/19/22/80/343192280.db2.gz AFGDGRUVIRXKFX-UHFFFAOYSA-N 0 0 176.215 2.767 10 0 AFAERN C[C@H]1CCC[C@@H](C)CC(=O)C1 38948989 343192334 /nfs/dbraw/zinc/19/23/34/343192334.db2.gz HKDSKLVURHPEAP-DTORHVGOSA-N 0 0 154.253 2.792 10 0 AFAERN COC(=O)[C@@H](C)[C@@H](C)c1ccccc1 38916681 343192384 /nfs/dbraw/zinc/19/23/84/343192384.db2.gz RTBLGSDOURZOPN-ZJUUUORDSA-N 0 0 192.258 2.599 10 0 AFAERN C/C=C/C=C/CCCCCO 38973053 343192610 /nfs/dbraw/zinc/19/26/10/343192610.db2.gz MLXYYLYGLUIFBT-MQQKCMAXSA-N 0 0 154.253 2.671 10 0 AFAERN CC(=O)[C@H](C)/C=C/c1ccccc1 39017618 343192984 /nfs/dbraw/zinc/19/29/84/343192984.db2.gz HLTHIPNMEIQQQQ-AAXQSMANSA-N 0 0 174.243 2.925 10 0 AFAERN CC(=O)CC1=Cc2ccccc2CC1 39017922 343193032 /nfs/dbraw/zinc/19/30/32/343193032.db2.gz ISVMFIBANYEUFI-UHFFFAOYSA-N 0 0 186.254 2.995 10 0 AFAERN CCCCC(C)(C)OC(C)=O 39017398 343193066 /nfs/dbraw/zinc/19/30/66/343193066.db2.gz SCNVLZSMMLCCOH-UHFFFAOYSA-N 0 0 158.241 2.518 10 0 AFAERN CC/C=C(/C)c1ccccn1 39051243 343193666 /nfs/dbraw/zinc/19/36/66/343193666.db2.gz NRLCAVZEXGQCJX-TWGQIWQCSA-N 0 0 147.221 2.895 10 0 AFAERN CC1=Cc2ncccc2[C@@H]1C 39050523 343193785 /nfs/dbraw/zinc/19/37/85/343193785.db2.gz LCVPBOMYKLBIBI-MRVPVSSYSA-N 0 0 145.205 2.602 10 0 AFAERN CC1=Cc2ncccc2[C@H]1C 39050522 343193822 /nfs/dbraw/zinc/19/38/22/343193822.db2.gz LCVPBOMYKLBIBI-QMMMGPOBSA-N 0 0 145.205 2.602 10 0 AFAERN CCc1cnccc1C(C)C 39052030 343193938 /nfs/dbraw/zinc/19/39/38/343193938.db2.gz YOZRPADQYYFDRN-UHFFFAOYSA-N 0 0 149.237 2.767 10 0 AFAERN CCc1nc(C)c(C)cc1C 39051892 343193957 /nfs/dbraw/zinc/19/39/57/343193957.db2.gz UVFMMRMXJHCISQ-UHFFFAOYSA-N 0 0 149.237 2.569 10 0 AFAERN CC[C@H](C)c1ccncc1C 39051658 343194025 /nfs/dbraw/zinc/19/40/25/343194025.db2.gz GCPBCORMKUHRLK-QMMMGPOBSA-N 0 0 149.237 2.904 10 0 AFAERN Cc1cncc(CC(C)C)c1 39051890 343194041 /nfs/dbraw/zinc/19/40/41/343194041.db2.gz LMVXSILLLXHUQW-UHFFFAOYSA-N 0 0 149.237 2.589 10 0 AFAERN CCc1cncc(CC)c1C 39052031 343194047 /nfs/dbraw/zinc/19/40/47/343194047.db2.gz OGMIDXZBMPQIDK-UHFFFAOYSA-N 0 0 149.237 2.515 10 0 AFAERN Cc1cc(CC(C)C)ccn1 39051989 343194123 /nfs/dbraw/zinc/19/41/23/343194123.db2.gz IKSDRDNMSWKGCZ-UHFFFAOYSA-N 0 0 149.237 2.589 10 0 AFAERN Cc1cnccc1CC(C)C 39051866 343194130 /nfs/dbraw/zinc/19/41/30/343194130.db2.gz LPSPNJDWBNWDDB-UHFFFAOYSA-N 0 0 149.237 2.589 10 0 AFAERN Cc1ccncc1CC(C)C 39051889 343194185 /nfs/dbraw/zinc/19/41/85/343194185.db2.gz SQPJNTCVTSMUDF-UHFFFAOYSA-N 0 0 149.237 2.589 10 0 AFAERN Cc1ccc2occ(C=O)c2c1 39060578 343195070 /nfs/dbraw/zinc/19/50/70/343195070.db2.gz CWLYERLWUHGELA-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN CCCC[C@@]1(C)CCC(=O)C1 39059507 343195211 /nfs/dbraw/zinc/19/52/11/343195211.db2.gz CLRCOLKSXXNING-JTQLQIEISA-N 0 0 154.253 2.936 10 0 AFAERN CCc1ccsc1C(C)=O 39070082 343196247 /nfs/dbraw/zinc/19/62/47/343196247.db2.gz NDNOTRITAYFXEI-UHFFFAOYSA-N 0 0 154.234 2.513 10 0 AFAERN Cc1nccn1C1CCCCC1 39081911 343196921 /nfs/dbraw/zinc/19/69/21/343196921.db2.gz SYDKRUIRAWOFDX-UHFFFAOYSA-N 0 0 164.252 2.697 10 0 AFAERN CN(c1ccccc1)C1(C)CC1 39081579 343197131 /nfs/dbraw/zinc/19/71/31/343197131.db2.gz LYJLFJCSKGRTLF-UHFFFAOYSA-N 0 0 161.248 2.675 10 0 AFAERN CC(C)c1ccc(O)cc1F 39088572 343197631 /nfs/dbraw/zinc/19/76/31/343197631.db2.gz RIPIAQSJJRKNIR-UHFFFAOYSA-N 0 0 154.184 2.655 10 0 AFAERN Cc1nccc2cc(F)ccc12 39088875 343197647 /nfs/dbraw/zinc/19/76/47/343197647.db2.gz KXMHXZGELDPULN-UHFFFAOYSA-N 0 0 161.179 2.682 10 0 AFAERN CCC1=CCc2c1ccnc2F 39089014 343197676 /nfs/dbraw/zinc/19/76/76/343197676.db2.gz BUZUSINGYUABQT-UHFFFAOYSA-N 0 0 163.195 2.570 10 0 AFAERN CC(C)c1ccc(O)c(F)c1 39088593 343197692 /nfs/dbraw/zinc/19/76/92/343197692.db2.gz AJYBHMQEIBOMHW-UHFFFAOYSA-N 0 0 154.184 2.655 10 0 AFAERN CCC(CC)Oc1ccccn1 39089552 343197710 /nfs/dbraw/zinc/19/77/10/343197710.db2.gz DZNJJGQVWVHLCZ-UHFFFAOYSA-N 0 0 165.236 2.649 10 0 AFAERN Cc1ccc(F)c2occc12 39088410 343197761 /nfs/dbraw/zinc/19/77/61/343197761.db2.gz RQBVPSXPGKGDGY-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN CC1(COc2ccccc2)C=C1 39089431 343197768 /nfs/dbraw/zinc/19/77/68/343197768.db2.gz OKXBTACBGUHVEJ-UHFFFAOYSA-N 0 0 160.216 2.642 10 0 AFAERN Cc1ccnc2cccc(F)c12 39088909 343197775 /nfs/dbraw/zinc/19/77/75/343197775.db2.gz QZPMCQXBQBPPDP-UHFFFAOYSA-N 0 0 161.179 2.682 10 0 AFAERN Cc1c(F)oc2ccccc12 39088389 343197804 /nfs/dbraw/zinc/19/78/04/343197804.db2.gz DIHNHDAHHLWZFU-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN Cc1c(F)ccc2occc12 39088409 343197815 /nfs/dbraw/zinc/19/78/15/343197815.db2.gz NPGROAMWYYVFNK-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN CC1(C)C=Nc2ccc(F)cc21 39089020 343197822 /nfs/dbraw/zinc/19/78/22/343197822.db2.gz JGMNUQOPODCOFW-UHFFFAOYSA-N 0 0 163.195 2.819 10 0 AFAERN CCc1cc2cc(F)ccc2[nH]1 39089036 343197823 /nfs/dbraw/zinc/19/78/23/343197823.db2.gz XJALAKQSCCJQSK-UHFFFAOYSA-N 0 0 163.195 2.869 10 0 in-vitro AFAERN Cc1[nH]c2ccccc2c1F 39088380 343197836 /nfs/dbraw/zinc/19/78/36/343197836.db2.gz IIPVOCGAPMWTSR-UHFFFAOYSA-N 0 0 149.168 2.615 10 0 AFAERN CC[C@H](C)Oc1cccc(N(C)C)c1 39090441 343198011 /nfs/dbraw/zinc/19/80/11/343198011.db2.gz PNXIWKLTUQSUHO-JTQLQIEISA-N 0 0 193.290 2.930 10 0 AFAERN Cc1cc(OCC(C)C)c(N)cc1F 39090637 343198126 /nfs/dbraw/zinc/19/81/26/343198126.db2.gz ZFBUTDLAWIOHRC-UHFFFAOYSA-N 0 0 197.253 2.751 10 0 AFAERN CC[C@@H]1CSC(C(C)C)=N1 39103467 343198481 /nfs/dbraw/zinc/19/84/81/343198481.db2.gz FAZVZOUZSCQCIA-SSDOTTSWSA-N 0 0 157.282 2.566 10 0 AFAERN CC(C)c1ccc(NO)cc1 39103101 343198554 /nfs/dbraw/zinc/19/85/54/343198554.db2.gz XBYFRIKYRIUDDQ-UHFFFAOYSA-N 0 0 151.209 2.611 10 0 AFAERN Cc1cc(C=O)ccc1C(C)C 39103838 343198839 /nfs/dbraw/zinc/19/88/39/343198839.db2.gz IEBBXDLHDFFUPH-UHFFFAOYSA-N 0 0 162.232 2.931 10 0 AFAERN Cc1cc(C(C)C)ccc1C=O 39103850 343198859 /nfs/dbraw/zinc/19/88/59/343198859.db2.gz PIVGSZAAEJXIQU-UHFFFAOYSA-N 0 0 162.232 2.931 10 0 AFAERN CC(C)c1coc2ncccc12 39103765 343198875 /nfs/dbraw/zinc/19/88/75/343198875.db2.gz HUXPIQWLUBOYSI-UHFFFAOYSA-N 0 0 161.204 2.951 10 0 AFAERN CC(C)[C@@H]1Cc2ccccc2O1 39103820 343198914 /nfs/dbraw/zinc/19/89/14/343198914.db2.gz QKFFZNPEDJETGC-NSHDSACASA-N 0 0 162.232 2.646 10 0 AFAERN CC(C)[C@H]1Cc2ccccc2O1 39103821 343198918 /nfs/dbraw/zinc/19/89/18/343198918.db2.gz QKFFZNPEDJETGC-LLVKDONJSA-N 0 0 162.232 2.646 10 0 AFAERN Cc1c(C=O)cccc1C(C)C 39103814 343198933 /nfs/dbraw/zinc/19/89/33/343198933.db2.gz ZOJKUHSSLKZYIO-UHFFFAOYSA-N 0 0 162.232 2.931 10 0 AFAERN CC(C)[C@H]1COc2ccccc21 39103853 343198947 /nfs/dbraw/zinc/19/89/47/343198947.db2.gz BPRDIGJSGIHYNU-SNVBAGLBSA-N 0 0 162.232 2.819 10 0 AFAERN CC(C)c1nc2ccccc2o1 39103795 343198952 /nfs/dbraw/zinc/19/89/52/343198952.db2.gz BEMLMLRIKVNBEY-UHFFFAOYSA-N 0 0 161.204 2.951 10 0 AFAERN Cc1ccc(CO)cc1C(C)C 39103967 343198971 /nfs/dbraw/zinc/19/89/71/343198971.db2.gz CTMUBKZOIQHXFC-UHFFFAOYSA-N 0 0 164.248 2.611 10 0 AFAERN CC(C)c1ccc(NC#N)cc1 39103694 343198991 /nfs/dbraw/zinc/19/89/91/343198991.db2.gz BXPLSQXTEDIXAQ-UHFFFAOYSA-N 0 0 160.220 2.703 10 0 AFAERN CC(C)[C@H]1OCCCCS1 39103719 343199005 /nfs/dbraw/zinc/19/90/05/343199005.db2.gz LZMZQUMKBFLZGF-QMMMGPOBSA-N 0 0 160.282 2.512 10 0 AFAERN CC(C)c1ccc(O)c(N=O)c1 39103994 343199007 /nfs/dbraw/zinc/19/90/07/343199007.db2.gz HDCVUADAMKSVSS-UHFFFAOYSA-N 0 0 165.192 2.914 10 0 AFAERN Cc1cc(C)c2c(n1)C[C@@H](C)CC2 39111378 343199179 /nfs/dbraw/zinc/19/91/79/343199179.db2.gz YZNFGGPPQRELTQ-QMMMGPOBSA-N 0 0 175.275 2.823 10 0 AFAERN Cc1ccc(F)c(C(C)C)c1N 39104199 343199207 /nfs/dbraw/zinc/19/92/07/343199207.db2.gz MOERQYLHBDRBMW-UHFFFAOYSA-N 0 0 167.227 2.840 10 0 AFAERN Cc1cc(F)cc(C(C)C)c1N 39104200 343199216 /nfs/dbraw/zinc/19/92/16/343199216.db2.gz CKGWZGSROFLPAR-UHFFFAOYSA-N 0 0 167.227 2.840 10 0 AFAERN CC(C)c1cc(F)cc(F)c1N 39104547 343199218 /nfs/dbraw/zinc/19/92/18/343199218.db2.gz LELRTYNGLOWKHJ-UHFFFAOYSA-N 0 0 171.190 2.670 10 0 AFAERN CC(C)[C@H]1CN(C)c2ccccc21 39104806 343199236 /nfs/dbraw/zinc/19/92/36/343199236.db2.gz BURNNDJOLHCXBG-LLVKDONJSA-N 0 0 175.275 2.876 10 0 AFAERN Cc1cc(C)c2c(n1)C[C@H](C)CC2 39111379 343199264 /nfs/dbraw/zinc/19/92/64/343199264.db2.gz YZNFGGPPQRELTQ-MRVPVSSYSA-N 0 0 175.275 2.823 10 0 AFAERN CC(C)[C@@H]1CN(C)c2ccccc21 39104805 343199293 /nfs/dbraw/zinc/19/92/93/343199293.db2.gz BURNNDJOLHCXBG-NSHDSACASA-N 0 0 175.275 2.876 10 0 AFAERN CC(C)c1cccc2c1CCC2=O 39104731 343199298 /nfs/dbraw/zinc/19/92/98/343199298.db2.gz AZSRLYMCJKSXEN-UHFFFAOYSA-N 0 0 174.243 2.939 10 0 AFAERN CC1(c2cnccn2)CCCCC1 39111350 343199302 /nfs/dbraw/zinc/19/93/02/343199302.db2.gz DEWQFSKBVRDGJQ-UHFFFAOYSA-N 0 0 176.263 2.698 10 0 AFAERN Cc1c(F)ccc(C(C)C)c1N 39104201 343199310 /nfs/dbraw/zinc/19/93/10/343199310.db2.gz GJMMADOWKXLSRW-UHFFFAOYSA-N 0 0 167.227 2.840 10 0 AFAERN CC(C)c1c(F)cc(O)cc1F 39104588 343199329 /nfs/dbraw/zinc/19/93/29/343199329.db2.gz LDLSMLOGGCVIDK-UHFFFAOYSA-N 0 0 172.174 2.794 10 0 AFAERN C[C@H]1CC[C@@H](Oc2ccc(O)cc2)C1 39112203 343199620 /nfs/dbraw/zinc/19/96/20/343199620.db2.gz IMCAYXFRKBPIOH-JOYOIKCWSA-N 0 0 192.258 2.960 10 0 AFAERN C[C@H]1CCCCCc2cnoc21 39113185 343199687 /nfs/dbraw/zinc/19/96/87/343199687.db2.gz UCARUKRTVHVXNT-QMMMGPOBSA-N 0 0 165.236 2.895 10 0 AFAERN CCc1cnc(CC(C)C)c(C)n1 39114109 343200580 /nfs/dbraw/zinc/20/05/80/343200580.db2.gz NSUZNJBCWAYJHZ-UHFFFAOYSA-N 0 0 178.279 2.546 10 0 AFAERN Cc1ncc([C@@H](C)C(C)C)nc1C 39114121 343200595 /nfs/dbraw/zinc/20/05/95/343200595.db2.gz XHWQDKPTAKGXNP-QMMMGPOBSA-N 0 0 178.279 2.853 10 0 AFAERN CCc1cnc(C)c(CC(C)C)n1 39114108 343200629 /nfs/dbraw/zinc/20/06/29/343200629.db2.gz IWDMYXZBSTZHFS-UHFFFAOYSA-N 0 0 178.279 2.546 10 0 AFAERN CC(C)Cc1cnc(C(C)C)cn1 39114124 343200631 /nfs/dbraw/zinc/20/06/31/343200631.db2.gz UHVOUUJPLVBJAV-UHFFFAOYSA-N 0 0 178.279 2.799 10 0 AFAERN Cc1ncc(CC(C)(C)C)nc1C 39114123 343200633 /nfs/dbraw/zinc/20/06/33/343200633.db2.gz FXZARWKYKPOOAS-UHFFFAOYSA-N 0 0 178.279 2.682 10 0 AFAERN C[C@H]1Nc2ccccc2NC1(C)C 39114538 343201008 /nfs/dbraw/zinc/20/10/08/343201008.db2.gz KVTRLSAIENMGBQ-MRVPVSSYSA-N 0 0 176.263 2.691 10 0 AFAERN CC1=Nc2ccccc2NC1(C)C 39114535 343201087 /nfs/dbraw/zinc/20/10/87/343201087.db2.gz OPNMXGHYRAFDMH-UHFFFAOYSA-N 0 0 174.247 2.983 10 0 AFAERN CCCCSc1cccc(OC)n1 39117122 343201698 /nfs/dbraw/zinc/20/16/98/343201698.db2.gz BSFHOLHKXDJINF-UHFFFAOYSA-N 0 0 197.303 2.982 10 0 AFAERN C/C(=C\CO)c1ccc(Cl)cc1 39116898 343201735 /nfs/dbraw/zinc/20/17/35/343201735.db2.gz ABXDWGLWPWYXDJ-SOFGYWHQSA-N 0 0 182.650 2.736 10 0 AFAERN CCc1ccc2c(c1)NCC(C)(C)O2 39117222 343201970 /nfs/dbraw/zinc/20/19/70/343201970.db2.gz HVNBXXRSXLSQPL-UHFFFAOYSA-N 0 0 191.274 2.832 10 0 AFAERN CCC(CC)Sc1cc[n+]([O-])cc1 39117090 343201963 /nfs/dbraw/zinc/20/19/63/343201963.db2.gz ARFRNVYHCBHXHF-UHFFFAOYSA-N 0 0 197.303 2.601 10 0 AFAERN CC[C@H]1Nc2ccccc2S1 39118903 343202081 /nfs/dbraw/zinc/20/20/81/343202081.db2.gz QPDINLYPHRCUTL-VIFPVBQESA-N 0 0 165.261 2.940 10 0 AFAERN Cc1ccc(-c2nccc(C)n2)cc1 39121274 343202098 /nfs/dbraw/zinc/20/20/98/343202098.db2.gz MHMZBNLUQWEDGH-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CC[C@@H]1Nc2ccccc2S1 39118902 343202151 /nfs/dbraw/zinc/20/21/51/343202151.db2.gz QPDINLYPHRCUTL-SECBINFHSA-N 0 0 165.261 2.940 10 0 AFAERN CCCCCc1ccccc1CO 39120373 343202179 /nfs/dbraw/zinc/20/21/79/343202179.db2.gz QEFLAMNANSNAKU-UHFFFAOYSA-N 0 0 178.275 2.912 10 0 AFAERN Cc1cnc2ccc(N(C)C)cc2c1 39119804 343202203 /nfs/dbraw/zinc/20/22/03/343202203.db2.gz RVNVCEHQOXITJH-UHFFFAOYSA-N 0 0 186.258 2.609 10 0 AFAERN Cc1nccc2c(N(C)C)cccc12 39119808 343202262 /nfs/dbraw/zinc/20/22/62/343202262.db2.gz XOSXBGSYBWTCRV-UHFFFAOYSA-N 0 0 186.258 2.609 10 0 AFAERN CCc1ccc(-c2cncnc2)cc1 39121248 343202271 /nfs/dbraw/zinc/20/22/71/343202271.db2.gz BXMWTZSHGOOMNO-UHFFFAOYSA-N 0 0 184.242 2.706 10 0 AFAERN Cc1ncc(-c2ccc(F)cc2)cn1 39121273 343202284 /nfs/dbraw/zinc/20/22/84/343202284.db2.gz YZMVDALGMYQVNO-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CCc1nccc(-c2ccccc2)n1 39121270 343202314 /nfs/dbraw/zinc/20/23/14/343202314.db2.gz PKHCKAJHSUVBAS-UHFFFAOYSA-N 0 0 184.242 2.706 10 0 AFAERN CN(C)c1c(N)sc2ccccc12 39123443 343202440 /nfs/dbraw/zinc/20/24/40/343202440.db2.gz SAPKAQDKRQEXAE-UHFFFAOYSA-N 0 0 192.287 2.550 10 0 AFAERN Cc1cc2ccsc2c(C)n1 39123465 343202603 /nfs/dbraw/zinc/20/26/03/343202603.db2.gz VNWKMDOXJLQQMY-UHFFFAOYSA-N 0 0 163.245 2.913 10 0 AFAERN Cc1cc2ncccc2s1 39123463 343202638 /nfs/dbraw/zinc/20/26/38/343202638.db2.gz RKQWKIZYDYKFNE-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN Cc1nc2cccc(C)c2nc1C 39121614 343202660 /nfs/dbraw/zinc/20/26/60/343202660.db2.gz GGPLGICAGOWZLN-UHFFFAOYSA-N 0 0 172.231 2.555 10 0 AFAERN CC(C)c1cnc2ccccc2n1 39121599 343202676 /nfs/dbraw/zinc/20/26/76/343202676.db2.gz NXUYGLIOLISFFN-UHFFFAOYSA-N 0 0 172.231 2.753 10 0 AFAERN CCc1cnc2ccsc2c1 39123471 343202712 /nfs/dbraw/zinc/20/27/12/343202712.db2.gz FFQSTBHBHSNVAB-UHFFFAOYSA-N 0 0 163.245 2.859 10 0 AFAERN Cc1cc(N)c2c(C)c(C)sc2n1 39123458 343202714 /nfs/dbraw/zinc/20/27/14/343202714.db2.gz DVUJSWDXMGRBTK-UHFFFAOYSA-N 0 0 192.287 2.804 10 0 AFAERN CCCC[C@H](CCC)N(C)C(C)=O 39126333 343203046 /nfs/dbraw/zinc/20/30/46/343203046.db2.gz SLWWKWILCUZPDT-NSHDSACASA-N 0 0 185.311 2.824 10 0 AFAERN CCCC[C@H](CC)CCNC(C)=O 39126019 343203105 /nfs/dbraw/zinc/20/31/05/343203105.db2.gz ZYELAMDRQDHCGO-NSHDSACASA-N 0 0 185.311 2.729 10 0 AFAERN CC[C@@]1(C)N=NC(=S)C1C 39133984 343203388 /nfs/dbraw/zinc/20/33/88/343203388.db2.gz JMOADGYUQFRZIW-SSDOTTSWSA-N 0 0 156.254 2.782 10 0 AFAERN CCC1(CC)C(C)=NN=C1C 39134010 343203410 /nfs/dbraw/zinc/20/34/10/343203410.db2.gz SCWNHJNPFNEMSU-UHFFFAOYSA-N 0 0 152.241 2.643 10 0 AFAERN CC[C@]1(C)N=NC(=S)C1C 39133985 343203483 /nfs/dbraw/zinc/20/34/83/343203483.db2.gz JMOADGYUQFRZIW-ZETCQYMHSA-N 0 0 156.254 2.782 10 0 AFAERN CCCCCc1cncs1 39134849 343203786 /nfs/dbraw/zinc/20/37/86/343203786.db2.gz GSIZIOFGSQLTRR-UHFFFAOYSA-N 0 0 155.266 2.876 10 0 AFAERN CCCCc1cccc(C)c1N 39136121 343203968 /nfs/dbraw/zinc/20/39/68/343203968.db2.gz VTJGUVJXULLGNA-UHFFFAOYSA-N 0 0 163.264 2.920 10 0 AFAERN Cc1cc2cc(F)ccc2o1 39136299 343203970 /nfs/dbraw/zinc/20/39/70/343203970.db2.gz BMYHZQJSORJFPV-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN Cc1ccc2ccoc2c1C=O 39136301 343203975 /nfs/dbraw/zinc/20/39/75/343203975.db2.gz YQDYIZXCODMUGH-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN Cc1c(N)cccc1C(C)(C)C 39136100 343204222 /nfs/dbraw/zinc/20/42/22/343204222.db2.gz IBZQAPPVGYBTOI-UHFFFAOYSA-N 0 0 163.264 2.875 10 0 AFAERN CCc1cc2cc(N)ccc2o1 39136423 343204460 /nfs/dbraw/zinc/20/44/60/343204460.db2.gz DJPSEBQLPTXUII-UHFFFAOYSA-N 0 0 161.204 2.577 10 0 AFAERN CCc1cc2ccoc2cc1O 39136445 343204467 /nfs/dbraw/zinc/20/44/67/343204467.db2.gz CBGCZMZGOJIRPI-UHFFFAOYSA-N 0 0 162.188 2.701 10 0 AFAERN Cc1cc(O)c2cc(C)oc2c1 39136513 343204475 /nfs/dbraw/zinc/20/44/75/343204475.db2.gz WCQVYQGPGWAXHK-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1c(N)cc(C)c2occc12 39136486 343204485 /nfs/dbraw/zinc/20/44/85/343204485.db2.gz QJBUJMSRJUEAHG-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN Cc1cc2ccc(O)c(C)c2o1 39136442 343204534 /nfs/dbraw/zinc/20/45/34/343204534.db2.gz MDIRKBHBLKDZHF-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1coc2c(C)c(O)ccc12 39136493 343204545 /nfs/dbraw/zinc/20/45/45/343204545.db2.gz HRIQKYVWBYEYRB-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN Cc1ccc2occ(C)c2c1O 39136410 343204564 /nfs/dbraw/zinc/20/45/64/343204564.db2.gz SGYUJWKSOFPMAD-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN COc1cc(C)cc2cc(O)ccc12 39148221 343204702 /nfs/dbraw/zinc/20/47/02/343204702.db2.gz UXQDAGWOFWTZOY-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN C[C@]12CCCN1c1ccccc1CC2 39148188 343204795 /nfs/dbraw/zinc/20/47/95/343204795.db2.gz JJNDCSNRTGUQFK-CYBMUJFWSA-N 0 0 187.286 2.992 10 0 AFAERN C[C@@]12CCCN1c1ccccc1CC2 39148187 343204981 /nfs/dbraw/zinc/20/49/81/343204981.db2.gz JJNDCSNRTGUQFK-ZDUSSCGKSA-N 0 0 187.286 2.992 10 0 AFAERN CC[C@H]1C=Cc2ccccc2[C@@H]1CO 39148236 343204990 /nfs/dbraw/zinc/20/49/90/343204990.db2.gz QIOPAQSTDQLKMK-GXFFZTMASA-N 0 0 188.270 2.816 10 0 AFAERN CC(C)N(C(=O)c1ccoc1)C(C)C 39148471 343204996 /nfs/dbraw/zinc/20/49/96/343204996.db2.gz FWJDDDRZUAOLCF-UHFFFAOYSA-N 0 0 195.262 2.539 10 0 AFAERN c1cc(C2CC2)cc(C2OCCO2)c1 39168824 343205039 /nfs/dbraw/zinc/20/50/39/343205039.db2.gz ROXHNJMOUJFVOQ-UHFFFAOYSA-N 0 0 190.242 2.609 10 0 AFAERN CCc1cc2cc(OC)ccc2[nH]1 39184995 343205124 /nfs/dbraw/zinc/20/51/24/343205124.db2.gz UIEHVKCFXAZDCJ-UHFFFAOYSA-N 0 0 175.231 2.739 10 0 AFAERN C[C@H]1Cc2ccccc2C(=O)[C@@H]1C 39189466 343205431 /nfs/dbraw/zinc/20/54/31/343205431.db2.gz GFWOOXMVWBKCAF-DTWKUNHWSA-N 0 0 174.243 2.698 10 0 AFAERN Cc1ccc(C)c(-c2ccccn2)n1 39188718 343205452 /nfs/dbraw/zinc/20/54/52/343205452.db2.gz XEXSGYBNOHIEHH-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN Cc1ccc2nscc2c1 39192168 343205492 /nfs/dbraw/zinc/20/54/92/343205492.db2.gz WCRXWDPKZJQPTB-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 in-vitro AFAERN C[C@H]1Cc2ccccc2C(=O)[C@H]1C 39189468 343205593 /nfs/dbraw/zinc/20/55/93/343205593.db2.gz GFWOOXMVWBKCAF-IUCAKERBSA-N 0 0 174.243 2.698 10 0 AFAERN CC(C)C(=O)SC(C)(C)C 39189073 343205597 /nfs/dbraw/zinc/20/55/97/343205597.db2.gz YZXNIYZMVIJYGS-UHFFFAOYSA-N 0 0 160.282 2.701 10 0 AFAERN CC1(C)CCCc2ccc(CO)cc21 39185421 343205622 /nfs/dbraw/zinc/20/56/22/343205622.db2.gz PTRRTEVGSUUYBD-UHFFFAOYSA-N 0 0 190.286 2.793 10 0 AFAERN CC1(c2ccccc2)CCC(O)CC1 39188463 343205635 /nfs/dbraw/zinc/20/56/35/343205635.db2.gz IPOAYLAYFHWUFN-UHFFFAOYSA-N 0 0 190.286 2.879 10 0 AFAERN O=NN1CCCSc2ccccc21 39188848 343205649 /nfs/dbraw/zinc/20/56/49/343205649.db2.gz FGZWREPUPMWUAX-UHFFFAOYSA-N 0 0 194.259 2.670 10 0 AFAERN Cc1nc(-c2ccccc2)[nH]c1C 39194328 343205927 /nfs/dbraw/zinc/20/59/27/343205927.db2.gz VRGWNMQXSXRSTC-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CC(=S)N[C@@H](C)c1ccccc1 39213477 343206385 /nfs/dbraw/zinc/20/63/85/343206385.db2.gz VBKCRGYJCBGCIV-QMMMGPOBSA-N 0 0 179.288 2.685 10 0 AFAERN N#COc1ccc2ccccc2c1 39235451 343207009 /nfs/dbraw/zinc/20/70/09/343207009.db2.gz KJPLRQFMMRYYFL-UHFFFAOYSA-N 0 0 169.183 2.700 10 0 AFAERN CCc1cncc2ccccc12 39233318 343207035 /nfs/dbraw/zinc/20/70/35/343207035.db2.gz RFGMOTXSRLSKQX-UHFFFAOYSA-N 0 0 157.216 2.797 10 0 AFAERN Cc1cc(N)cc(Cl)c1C 39233622 343207131 /nfs/dbraw/zinc/20/71/31/343207131.db2.gz KWTAEBKYISVYFB-UHFFFAOYSA-N 0 0 155.628 2.539 10 0 AFAERN c1ccc2nc3sncc3cc2c1 39233649 343207184 /nfs/dbraw/zinc/20/71/84/343207184.db2.gz PITNYQCGMBCGQX-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN CC(=O)[C@H](C)Nc1c(C)cccc1C 39236714 343207367 /nfs/dbraw/zinc/20/73/67/343207367.db2.gz NWWCCJJNIZLMSD-JTQLQIEISA-N 0 0 191.274 2.693 10 0 AFAERN O=C1C=C2c3ccccc3C[C@@H]2CC1 39240498 343207376 /nfs/dbraw/zinc/20/73/76/343207376.db2.gz JROFGDQDOURIRX-JTQLQIEISA-N 0 0 184.238 2.605 10 0 AFAERN CC1=CC(=O)OC2(CCCCC2)C1 39236966 343207423 /nfs/dbraw/zinc/20/74/23/343207423.db2.gz JYBBNMKEBDCNKH-UHFFFAOYSA-N 0 0 180.247 2.583 10 0 AFAERN CCc1c2ccccc2cn1C 39237334 343207517 /nfs/dbraw/zinc/20/75/17/343207517.db2.gz LDVKRUJGCWHRPT-UHFFFAOYSA-N 0 0 159.232 2.741 10 0 AFAERN O=C1CSC=C(c2ccccc2)C1 39241301 343207666 /nfs/dbraw/zinc/20/76/66/343207666.db2.gz YYKHAYJIPHLJOR-UHFFFAOYSA-N 0 0 190.267 2.734 10 0 AFAERN Cc1cc(-c2ccc(F)cc2)on1 39244368 343207669 /nfs/dbraw/zinc/20/76/69/343207669.db2.gz ZIFWYFRYVMYQIW-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN C=Cc1ccc(C(C)(C)O)cc1 39244699 343207695 /nfs/dbraw/zinc/20/76/95/343207695.db2.gz VXYFKTCNSCJZKY-UHFFFAOYSA-N 0 0 162.232 2.557 10 0 AFAERN CCOC(=O)/C(C)=C/[C@H](C)CC 39245622 343207752 /nfs/dbraw/zinc/20/77/52/343207752.db2.gz RERDVRSWGQYAKI-KGOFQHAKSA-N 0 0 170.252 2.542 10 0 AFAERN S=c1ccc2c([nH]1)CCCC2 39245348 343207779 /nfs/dbraw/zinc/20/77/79/343207779.db2.gz PQIRTBUCJACOHR-UHFFFAOYSA-N 0 0 165.261 2.623 10 0 AFAERN CC(C)(C)CCC(C)(C)O 39245035 343207788 /nfs/dbraw/zinc/20/77/88/343207788.db2.gz ASOCSFZHADJKFU-UHFFFAOYSA-N 0 0 144.258 2.584 10 0 AFAERN C=Cc1ccc(C(=O)CC)cc1 39244563 343207886 /nfs/dbraw/zinc/20/78/86/343207886.db2.gz CDQBUKFFVOBJGV-UHFFFAOYSA-N 0 0 160.216 2.922 10 0 AFAERN CC(C)=CCc1ccccn1 39243549 343207919 /nfs/dbraw/zinc/20/79/19/343207919.db2.gz KITNLBVOJRHFFW-UHFFFAOYSA-N 0 0 147.221 2.590 10 0 AFAERN C1=CC(COCc2ccccc2)C=C1 39248996 343208216 /nfs/dbraw/zinc/20/82/16/343208216.db2.gz DHVIVNRYFOAZFF-UHFFFAOYSA-N 0 0 186.254 2.945 10 0 AFAERN CCCCC/C=C(\C)CO 39252792 343208350 /nfs/dbraw/zinc/20/83/50/343208350.db2.gz HWEAZWRCARSQBX-VQHVLOKHSA-N 0 0 142.242 2.505 10 0 AFAERN CC(C)(C)C(=S)N1CCCCC1 39253419 343208363 /nfs/dbraw/zinc/20/83/63/343208363.db2.gz DRHZIPKPKNQNGT-UHFFFAOYSA-N 0 0 185.336 2.846 10 0 AFAERN Cc1cc(CC(C)C)ccc1O 39249645 343208459 /nfs/dbraw/zinc/20/84/59/343208459.db2.gz JETHMBMKRIJCFX-UHFFFAOYSA-N 0 0 164.248 2.899 10 0 AFAERN c1ccc2c(c1)OC1(CCCC1)O2 39253573 343208513 /nfs/dbraw/zinc/20/85/13/343208513.db2.gz VXSVOBDIGBCITM-UHFFFAOYSA-N 0 0 176.215 2.728 10 0 AFAERN Cc1ccc(N(C)C)cc1Cl 39257319 343208625 /nfs/dbraw/zinc/20/86/25/343208625.db2.gz FCIFMZDGGLUIHT-UHFFFAOYSA-N 0 0 169.655 2.714 10 0 AFAERN Cc1cc2c(s1)CCCC2=O 39257239 343208652 /nfs/dbraw/zinc/20/86/52/343208652.db2.gz YLBYTFFQSQXGAK-UHFFFAOYSA-N 0 0 166.245 2.576 10 0 AFAERN CCCc1ccc(O)c(Cl)c1 39259358 343209061 /nfs/dbraw/zinc/20/90/61/343209061.db2.gz WRLVTKZXVVEUPL-UHFFFAOYSA-N 0 0 170.639 2.998 10 0 AFAERN C/C=C/[S@](=O)c1ccc(C)cc1 39260843 343209195 /nfs/dbraw/zinc/20/91/95/343209195.db2.gz YSASRYWCORFSIM-STWLFGJUSA-N 0 0 180.272 2.636 10 0 AFAERN C=COc1ccc(CC)cc1 39260291 343209206 /nfs/dbraw/zinc/20/92/06/343209206.db2.gz NOKHVAUMEFGUDF-UHFFFAOYSA-N 0 0 148.205 2.771 10 0 AFAERN COc1cc(OC)cc(C(C)C)c1 39263046 343209209 /nfs/dbraw/zinc/20/92/09/343209209.db2.gz OAXBDAJSNJFCPC-UHFFFAOYSA-N 0 0 180.247 2.827 10 0 AFAERN C=C/C=C/c1ccccc1[N+](=O)[O-] 39271538 343209416 /nfs/dbraw/zinc/20/94/16/343209416.db2.gz IWHDKAKNRNKUNV-ZZXKWVIFSA-N 0 0 175.187 2.794 10 0 AFAERN O=C1C=CS[C@H](c2ccccc2)C1 39278508 343209699 /nfs/dbraw/zinc/20/96/99/343209699.db2.gz DSOGSTMUZHTXLS-NSHDSACASA-N 0 0 190.267 2.947 10 0 AFAERN CCCCC(C)(C)C(C)=O 39279198 343209733 /nfs/dbraw/zinc/20/97/33/343209733.db2.gz BFOHIWPVMRNQNL-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN c1ccc2cc(C3=NCCO3)ccc2c1 39284080 343209735 /nfs/dbraw/zinc/20/97/35/343209735.db2.gz JBPBWSKDBJRSAU-UHFFFAOYSA-N 0 0 197.237 2.617 10 0 in-vitro AFAERN CCOC(=O)N1CCC(C(C)C)CC1 39291108 343209849 /nfs/dbraw/zinc/20/98/49/343209849.db2.gz AHUQAEPQRQSPMC-UHFFFAOYSA-N 0 0 199.294 2.511 10 0 AFAERN Cc1ccncc1C(C)C 39290564 343210017 /nfs/dbraw/zinc/21/00/17/343210017.db2.gz CLMGLIYUNAKJFE-UHFFFAOYSA-N 0 0 135.210 2.513 10 0 AFAERN O=C1CC[C@H](CCc2ccccc2)C1 39307725 343210331 /nfs/dbraw/zinc/21/03/31/343210331.db2.gz FWVFOIWKPZFNAB-LBPRGKRZSA-N 0 0 188.270 2.988 10 0 AFAERN CC(=O)COc1c(C)cc(C)cc1C 39309964 343210482 /nfs/dbraw/zinc/21/04/82/343210482.db2.gz AREMEMBXZYYJDC-UHFFFAOYSA-N 0 0 192.258 2.580 10 0 AFAERN Cn1cpc2ccccc21 39307021 343210563 /nfs/dbraw/zinc/21/05/63/343210563.db2.gz OPWAGKVVDAXDHR-UHFFFAOYSA-N 0 0 149.133 2.758 10 0 AFAERN CC(C)(C)P(=O)(CO)C(C)(C)C 39314565 343210603 /nfs/dbraw/zinc/21/06/03/343210603.db2.gz SOVLCILGCBPCNM-UHFFFAOYSA-N 0 0 192.239 2.896 10 0 AFAERN O=C1CC[C@@H](CCc2ccccc2)C1 39307723 343210613 /nfs/dbraw/zinc/21/06/13/343210613.db2.gz FWVFOIWKPZFNAB-GFCCVEGCSA-N 0 0 188.270 2.988 10 0 AFAERN CCc1ccc(Cl)cc1O 39340972 343210701 /nfs/dbraw/zinc/21/07/01/343210701.db2.gz CITSVDLEKMWTER-UHFFFAOYSA-N 0 0 156.612 2.608 10 0 AFAERN CCCc1cnn(-c2ccccc2)c1 39334933 343210755 /nfs/dbraw/zinc/21/07/55/343210755.db2.gz SIHZIHQRDJBMAR-UHFFFAOYSA-N 0 0 186.258 2.825 10 0 AFAERN CC1(C)CSc2ccccc2N1 39335711 343210917 /nfs/dbraw/zinc/21/09/17/343210917.db2.gz RWYIKYWUOWLWHZ-UHFFFAOYSA-N 0 0 179.288 2.983 10 0 AFAERN CC[C@H]1C[C@H](O)c2ccccc21 39342143 343211090 /nfs/dbraw/zinc/21/10/90/343211090.db2.gz CSAQXDIIPZDDDZ-KWQFWETISA-N 0 0 162.232 2.617 10 0 AFAERN CC[C@@H]1C[C@H](O)c2ccccc21 39342142 343211117 /nfs/dbraw/zinc/21/11/17/343211117.db2.gz CSAQXDIIPZDDDZ-KCJUWKMLSA-N 0 0 162.232 2.617 10 0 AFAERN CC[C@H]1C[C@@H](O)c2ccccc21 39342145 343211134 /nfs/dbraw/zinc/21/11/34/343211134.db2.gz CSAQXDIIPZDDDZ-GZMMTYOYSA-N 0 0 162.232 2.617 10 0 AFAERN CC[C@@](O)(C(C)C)C(C)(C)C 39375271 343211419 /nfs/dbraw/zinc/21/14/19/343211419.db2.gz CHZVHXPAKQDRSE-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN Cc1ccc(Cc2ccncc2)cc1 39381388 343211485 /nfs/dbraw/zinc/21/14/85/343211485.db2.gz CIWVGBBJENPITA-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN CC[C@H](C)Cc1cccnc1 39374715 343211569 /nfs/dbraw/zinc/21/15/69/343211569.db2.gz HEPPEJMGBGUFBV-VIFPVBQESA-N 0 0 149.237 2.670 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)CC(=O)C2 39374895 343211609 /nfs/dbraw/zinc/21/16/09/343211609.db2.gz JKSPITNBBVCWQP-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@@H](C)/C=C/c1ccccc1 39386615 343211635 /nfs/dbraw/zinc/21/16/35/343211635.db2.gz HLTHIPNMEIQQQQ-DDXVTDLHSA-N 0 0 174.243 2.925 10 0 AFAERN CC[C@](O)(C(C)C)C(C)(C)C 39375272 343211642 /nfs/dbraw/zinc/21/16/42/343211642.db2.gz CHZVHXPAKQDRSE-JTQLQIEISA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)[C@@H](O)C(C)(C)c1ccccc1 39402435 343211738 /nfs/dbraw/zinc/21/17/38/343211738.db2.gz FJUKBTZGHVOFMH-GFCCVEGCSA-N 0 0 192.302 2.981 10 0 AFAERN CC(C)[C@H](O)C(C)(C)c1ccccc1 39402434 343211808 /nfs/dbraw/zinc/21/18/08/343211808.db2.gz FJUKBTZGHVOFMH-LBPRGKRZSA-N 0 0 192.302 2.981 10 0 AFAERN Cc1ccc2c(c1)CC[C@H](C)N2 39393502 343211820 /nfs/dbraw/zinc/21/18/20/343211820.db2.gz IHEQGRQCHGIUQE-VIFPVBQESA-N 0 0 161.248 2.742 10 0 AFAERN CC(=O)CCC1=CCCCC1 39395176 343211888 /nfs/dbraw/zinc/21/18/88/343211888.db2.gz PBYPRVVOUPHBTH-UHFFFAOYSA-N 0 0 152.237 2.856 10 0 AFAERN OCc1cccc2c1-c1ccccc1C2 39397988 343211904 /nfs/dbraw/zinc/21/19/04/343211904.db2.gz UIVWFXRNTISENH-UHFFFAOYSA-N 0 0 196.249 2.750 10 0 AFAERN Cc1ccc2c(c1)CC[C@@H](C)N2 39393504 343212018 /nfs/dbraw/zinc/21/20/18/343212018.db2.gz IHEQGRQCHGIUQE-SECBINFHSA-N 0 0 161.248 2.742 10 0 AFAERN CCc1ccnc(-c2ccccc2)n1 39409579 343212155 /nfs/dbraw/zinc/21/21/55/343212155.db2.gz OGAYSXXAHVIFFB-UHFFFAOYSA-N 0 0 184.242 2.706 10 0 AFAERN Cc1ccc(C(C)(C)C)cn1 39419310 343212247 /nfs/dbraw/zinc/21/22/47/343212247.db2.gz UNSFKPRPICHULQ-UHFFFAOYSA-N 0 0 149.237 2.688 10 0 AFAERN Cc1cccn2c1nc1ccccc12 39414385 343212329 /nfs/dbraw/zinc/21/23/29/343212329.db2.gz UMTJNNGWKPQWQE-UHFFFAOYSA-N 0 0 182.226 2.796 10 0 AFAERN CCCCNc1ncccc1C 39426887 343212503 /nfs/dbraw/zinc/21/25/03/343212503.db2.gz DCJSWFCTYSFVAY-UHFFFAOYSA-N 0 0 164.252 2.602 10 0 AFAERN ONc1cc(Cl)ccc1Cl 39427176 343212524 /nfs/dbraw/zinc/21/25/24/343212524.db2.gz FZBPISJZMVJPQM-UHFFFAOYSA-N 0 0 178.018 2.795 10 0 AFAERN CO[C@H]1c2ccccc2C[C@H]1SC 39433793 343212559 /nfs/dbraw/zinc/21/25/59/343212559.db2.gz DLXXAJFMJXJPOQ-MNOVXSKESA-N 0 0 194.299 2.662 10 0 AFAERN CC[C@H](C)[C@H]1CCCC(=O)C1 39427132 343212691 /nfs/dbraw/zinc/21/26/91/343212691.db2.gz KRFDJNKVXNRNKR-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H]1Nc2ccccc2S1 39437896 343212831 /nfs/dbraw/zinc/21/28/31/343212831.db2.gz KLCRFDWEEYSMDI-LURJTMIESA-N 0 0 151.234 2.550 10 0 AFAERN C[C@@H]1Nc2ccccc2S1 39437894 343212836 /nfs/dbraw/zinc/21/28/36/343212836.db2.gz KLCRFDWEEYSMDI-ZCFIWIBFSA-N 0 0 151.234 2.550 10 0 AFAERN C[C@H]1C(=O)c2ccccc2[C@@H]1C 39472259 343212989 /nfs/dbraw/zinc/21/29/89/343212989.db2.gz KLNAGKGNWQUMFR-HTQZYQBOSA-N 0 0 160.216 2.623 10 0 AFAERN c1cc(-c2ccc3c(c2)NCC3)ccn1 39471349 343213040 /nfs/dbraw/zinc/21/30/40/343213040.db2.gz OWBKPIGVSIZLKE-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN Cc1ccc(Cl)c(C)c1O 39632284 343213225 /nfs/dbraw/zinc/21/32/25/343213225.db2.gz FVWLNKQRYYNYKJ-UHFFFAOYSA-N 0 0 156.612 2.662 10 0 AFAERN Cn1nccc1/C=C/c1ccccc1 39616607 343213260 /nfs/dbraw/zinc/21/32/60/343213260.db2.gz AKWFQHRZPGKCGH-BQYQJAHWSA-N 0 0 184.242 2.591 10 0 AFAERN Oc1ccc(CCc2cccnc2)cc1 39619581 343213274 /nfs/dbraw/zinc/21/32/74/343213274.db2.gz VWTWBYKVJAMRJA-UHFFFAOYSA-N 0 0 199.253 2.572 10 0 AFAERN Cc1ccc2c(c1)CSC2 39617813 343213313 /nfs/dbraw/zinc/21/33/13/343213313.db2.gz CPSAMNRKVLQUOD-UHFFFAOYSA-N 0 0 150.246 2.742 10 0 AFAERN CCOc1cc(F)c(F)cc1F 39617217 343213353 /nfs/dbraw/zinc/21/33/53/343213353.db2.gz MFNJSQAYYSUILF-UHFFFAOYSA-N 0 0 176.137 2.503 10 0 AFAERN CCCC[C@@H](O)c1ccccc1OC 39602842 343213356 /nfs/dbraw/zinc/21/33/56/343213356.db2.gz JMOOSIQYLHKWSO-LLVKDONJSA-N 0 0 194.274 2.919 10 0 AFAERN Cc1ccc2oc(=O)c(Cl)cc2c1 39618173 343213375 /nfs/dbraw/zinc/21/33/75/343213375.db2.gz IUIAWJKVZCQTNI-UHFFFAOYSA-N 0 0 194.617 2.755 10 0 AFAERN Cc1cc(Cc2cccnc2)ccc1O 39619828 343213381 /nfs/dbraw/zinc/21/33/81/343213381.db2.gz NNYPZCQYAWLIJY-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN CCc1ccc(O)c(C)c1C 39627376 343213383 /nfs/dbraw/zinc/21/33/83/343213383.db2.gz WOQYMRWBSOLZDV-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN Oc1cccc(CCc2cccnc2)c1 39619582 343213398 /nfs/dbraw/zinc/21/33/98/343213398.db2.gz FJRNYAMQTQBGCE-UHFFFAOYSA-N 0 0 199.253 2.572 10 0 AFAERN CCCC[C@H](O)c1ccccc1OC 39602840 343213403 /nfs/dbraw/zinc/21/34/03/343213403.db2.gz JMOOSIQYLHKWSO-NSHDSACASA-N 0 0 194.274 2.919 10 0 AFAERN OCc1ccc2cc(Cl)ccc2c1 39630964 343213429 /nfs/dbraw/zinc/21/34/29/343213429.db2.gz BJGJYPRQYKBIRZ-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN C/C=C\OCc1ccccc1 39651701 343213698 /nfs/dbraw/zinc/21/36/98/343213698.db2.gz QARNHIBOPBXNSX-WAPJZHGLSA-N 0 0 148.205 2.737 10 0 AFAERN CC1(C)CCC(=O)c2ccc(O)cc21 39643831 343213739 /nfs/dbraw/zinc/21/37/39/343213739.db2.gz WEGJKDKXICPGRV-UHFFFAOYSA-N 0 0 190.242 2.646 10 0 AFAERN Cc1ccc(-c2ccc(CO)cn2)cc1 39927635 343213921 /nfs/dbraw/zinc/21/39/21/343213921.db2.gz QBRSUCQSDKNINU-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Oc1ccc(/C=C\c2cccnc2)cc1 39931457 343213989 /nfs/dbraw/zinc/21/39/89/343213989.db2.gz QKMYQGPZABXECA-ARJAWSKDSA-N 0 0 197.237 2.958 10 0 AFAERN Cc1cc(-c2ccccc2C)on1 39956208 343214334 /nfs/dbraw/zinc/21/43/34/343214334.db2.gz MKFOGADNTMQODZ-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1cnoc1-c1ccccc1 39956229 343214347 /nfs/dbraw/zinc/21/43/47/343214347.db2.gz ZRJQHYLLYUTCBN-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1cc(-c2ccc(F)c(F)c2)on1 39956222 343214381 /nfs/dbraw/zinc/21/43/81/343214381.db2.gz AHDKREGNXSHYGQ-UHFFFAOYSA-N 0 0 195.168 2.928 10 0 AFAERN Cc1cccc(-c2cc(C)no2)c1 39956206 343214584 /nfs/dbraw/zinc/21/45/84/343214584.db2.gz WGRUUOKPURHZTF-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1cc(=S)c2cccc(F)c2[nH]1 40175028 343215236 /nfs/dbraw/zinc/21/52/36/343215236.db2.gz UTNZEXABSVJWSP-UHFFFAOYSA-N 0 0 193.246 2.971 10 0 AFAERN Cc1ccc(-c2ccc(C=O)n2C)cc1 40169447 343215433 /nfs/dbraw/zinc/21/54/33/343215433.db2.gz JEEOCMLCCRLGOX-UHFFFAOYSA-N 0 0 199.253 2.813 10 0 AFAERN Cc1ccc([C@@H](O)c2ccccc2)o1 40216525 343215588 /nfs/dbraw/zinc/21/55/88/343215588.db2.gz YZEUHKZUSVTLNV-LBPRGKRZSA-N 0 0 188.226 2.670 10 0 AFAERN CCc1ccc([C@@H](O)CC)s1 40242637 343216037 /nfs/dbraw/zinc/21/60/37/343216037.db2.gz HODFDZPDMHZBDO-QMMMGPOBSA-N 0 0 170.277 2.754 10 0 AFAERN Cc1ccc([C@H](O)c2ccoc2)cc1 40244415 343216043 /nfs/dbraw/zinc/21/60/43/343216043.db2.gz FBANPXAMDZZFID-LBPRGKRZSA-N 0 0 188.226 2.670 10 0 AFAERN CCc1ccc([C@@H](O)C2CC2)s1 40242673 343216141 /nfs/dbraw/zinc/21/61/41/343216141.db2.gz SWPWYXLHXSRMLA-JTQLQIEISA-N 0 0 182.288 2.754 10 0 AFAERN CC[C@@H](O)c1cc(C)sc1C 40257102 343216146 /nfs/dbraw/zinc/21/61/46/343216146.db2.gz UNXCRKHIYJZHIH-SECBINFHSA-N 0 0 170.277 2.808 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ccc(F)cc1 40243666 343216149 /nfs/dbraw/zinc/21/61/49/343216149.db2.gz MIFBTQVTWNZOOI-GZMMTYOYSA-N 0 0 182.238 2.905 10 0 AFAERN Cc1ccc(N)c(-c2ccncc2)c1 40231661 343216154 /nfs/dbraw/zinc/21/61/54/343216154.db2.gz VWECCEOCLVHHBQ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccc(C)c([C@H](O)[C@H]2C[C@@H]2C)c1 40248358 343216161 /nfs/dbraw/zinc/21/61/61/343216161.db2.gz DZISQCWLDNSXEM-DRZSPHRISA-N 0 0 190.286 2.993 10 0 AFAERN Cc1ccoc1[C@H](O)c1cccs1 40247667 343216177 /nfs/dbraw/zinc/21/61/77/343216177.db2.gz SQNOYGXFQPSDGL-SECBINFHSA-N 0 0 194.255 2.731 10 0 AFAERN CCc1ccc([C@H](O)C2CC2)s1 40242672 343216213 /nfs/dbraw/zinc/21/62/13/343216213.db2.gz SWPWYXLHXSRMLA-SNVBAGLBSA-N 0 0 182.288 2.754 10 0 AFAERN CC(C)[C@H](O)c1ccc(F)cc1F 40248900 343216233 /nfs/dbraw/zinc/21/62/33/343216233.db2.gz QIOBOCNHNHVOSX-JTQLQIEISA-N 0 0 186.201 2.654 10 0 AFAERN CC(C)[C@@H](O)c1ccc(F)cc1F 40248901 343216266 /nfs/dbraw/zinc/21/62/66/343216266.db2.gz QIOBOCNHNHVOSX-SNVBAGLBSA-N 0 0 186.201 2.654 10 0 AFAERN CC[C@@H](O)c1c(F)cc(F)cc1F 40246911 343216290 /nfs/dbraw/zinc/21/62/90/343216290.db2.gz CHRHZJPSOQHYSZ-MRVPVSSYSA-N 0 0 190.164 2.547 10 0 AFAERN Cc1ccc(C)c([C@H](O)[C@@H]2C[C@@H]2C)c1 40248356 343216316 /nfs/dbraw/zinc/21/63/16/343216316.db2.gz DZISQCWLDNSXEM-UHTWSYAYSA-N 0 0 190.286 2.993 10 0 AFAERN CCC(CC)Nc1cc(Cl)ncn1 40422382 343217998 /nfs/dbraw/zinc/21/79/98/343217998.db2.gz QCRISVOKMMMFRC-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN Cc1nn(C(C)(C)C)c(C)c1C 40415086 343218042 /nfs/dbraw/zinc/21/80/42/343218042.db2.gz KJPCDGCKBMLLOW-UHFFFAOYSA-N 0 0 166.268 2.563 10 0 AFAERN CCc1c(C)nn(C(C)(C)C)c1C 40419826 343218070 /nfs/dbraw/zinc/21/80/70/343218070.db2.gz SVANAVZSGDGLCS-UHFFFAOYSA-N 0 0 180.295 2.817 10 0 AFAERN Cc1ccc([C@H](O)C(C)C)s1 40451646 343218694 /nfs/dbraw/zinc/21/86/94/343218694.db2.gz BMMNGMVTLNCJDE-SECBINFHSA-N 0 0 170.277 2.746 10 0 AFAERN CC(C)(C)CNc1ccc(F)cc1N 40494614 343219697 /nfs/dbraw/zinc/21/96/97/343219697.db2.gz JFABKBDICKPWEP-UHFFFAOYSA-N 0 0 196.269 2.866 10 0 AFAERN Cc1csc(NCC(C)(C)C)n1 40494180 343219727 /nfs/dbraw/zinc/21/97/27/343219727.db2.gz WRFIYERJINGVMN-UHFFFAOYSA-N 0 0 184.308 2.910 10 0 AFAERN CC[C@@H]1CCCN1c1cccc(F)n1 40712267 343221137 /nfs/dbraw/zinc/22/11/37/343221137.db2.gz HEUBZQVKXWYUJN-SECBINFHSA-N 0 0 194.253 2.600 10 0 AFAERN CCC(C)(C)Nc1cccc(F)n1 40711665 343221153 /nfs/dbraw/zinc/22/11/53/343221153.db2.gz XZECHWUHOAIFOW-UHFFFAOYSA-N 0 0 182.242 2.821 10 0 AFAERN CC[C@H]1CCCN1c1cccc(F)n1 40712271 343221382 /nfs/dbraw/zinc/22/13/82/343221382.db2.gz HEUBZQVKXWYUJN-VIFPVBQESA-N 0 0 194.253 2.600 10 0 AFAERN CC(C)Sc1cccc(F)n1 40712470 343221409 /nfs/dbraw/zinc/22/14/09/343221409.db2.gz XHQSHEADVNROEK-UHFFFAOYSA-N 0 0 171.240 2.721 10 0 AFAERN CCC(CC)n1cc(C)cn1 40931879 343224475 /nfs/dbraw/zinc/22/44/75/343224475.db2.gz BRMVZOMCWVSBJY-UHFFFAOYSA-N 0 0 152.241 2.553 10 0 AFAERN CC[C@@H](C)n1nc(C(C)C)cc1N 40931511 343224590 /nfs/dbraw/zinc/22/45/90/343224590.db2.gz JLMNLTJGLVVMJP-MRVPVSSYSA-N 0 0 181.283 2.560 10 0 AFAERN CC(C)c1cc(N)n([C@H](C)C2CC2)n1 40932260 343224648 /nfs/dbraw/zinc/22/46/48/343224648.db2.gz FHRMQOKEGKXQER-MRVPVSSYSA-N 0 0 193.294 2.560 10 0 AFAERN CC(C)c1cc(N)n([C@@H](C)C2CC2)n1 40932259 343224660 /nfs/dbraw/zinc/22/46/60/343224660.db2.gz FHRMQOKEGKXQER-QMMMGPOBSA-N 0 0 193.294 2.560 10 0 AFAERN CC[C@H](C)n1nc(C(C)C)cc1N 40931513 343224840 /nfs/dbraw/zinc/22/48/40/343224840.db2.gz JLMNLTJGLVVMJP-QMMMGPOBSA-N 0 0 181.283 2.560 10 0 AFAERN CCCCn1nc(C(C)(C)C)cc1N 40930656 343224846 /nfs/dbraw/zinc/22/48/46/343224846.db2.gz BAXYMFNYLQBBQR-UHFFFAOYSA-N 0 0 195.310 2.563 10 0 AFAERN CC(C)[C@@H](C)Nc1ccc(F)cn1 41045349 343226682 /nfs/dbraw/zinc/22/66/82/343226682.db2.gz HDSWNRZXBKGMIM-MRVPVSSYSA-N 0 0 182.242 2.677 10 0 AFAERN CC(C)[C@H](C)Nc1ccc(F)cn1 41045350 343226815 /nfs/dbraw/zinc/22/68/15/343226815.db2.gz HDSWNRZXBKGMIM-QMMMGPOBSA-N 0 0 182.242 2.677 10 0 AFAERN Cc1ccc(-c2cc(N)ccc2F)o1 41048893 343227038 /nfs/dbraw/zinc/22/70/38/343227038.db2.gz SXGXQNIUXQDKIO-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1ccc(N)cc1-c1ccco1 41048852 343227070 /nfs/dbraw/zinc/22/70/70/343227070.db2.gz UQOJQXCLRGCVTR-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Cc1ccc(-c2ccco2)c(N)c1 41048859 343227235 /nfs/dbraw/zinc/22/72/35/343227235.db2.gz DQYGRINBVUHIJX-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Cc1ccc(-c2ccc(F)c(N)c2)o1 41048879 343227312 /nfs/dbraw/zinc/22/73/12/343227312.db2.gz BRBLVAOGLKPSGC-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1c(N)cccc1-c1ccco1 41048862 343227325 /nfs/dbraw/zinc/22/73/25/343227325.db2.gz HGXRYWSIGTWQFQ-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CC[C@@H](C)c1nnc(C2CCCC2)[nH]1 41058422 343228878 /nfs/dbraw/zinc/22/88/78/343228878.db2.gz FOERCZROWIUVDR-MRVPVSSYSA-N 0 0 193.294 2.976 10 0 AFAERN CC(C)c1nnc(-c2cccs2)[nH]1 41057245 343228946 /nfs/dbraw/zinc/22/89/46/343228946.db2.gz LGZYMSSDECYNRO-UHFFFAOYSA-N 0 0 193.275 2.657 10 0 AFAERN C[C@H]1C[C@H]1c1nnc(C2CCCC2)[nH]1 41057841 343228992 /nfs/dbraw/zinc/22/89/92/343228992.db2.gz WQCBPOUKYVGZNM-IONNQARKSA-N 0 0 191.278 2.586 10 0 AFAERN CC(C)c1n[nH]c(CC(C)(C)C)n1 41057278 343229009 /nfs/dbraw/zinc/22/90/09/343229009.db2.gz DIXYLBNFUFFFPE-UHFFFAOYSA-N 0 0 181.283 2.517 10 0 AFAERN C[C@H]1C[C@@H]1c1nnc(C2CCCC2)[nH]1 41057837 343229303 /nfs/dbraw/zinc/22/93/03/343229303.db2.gz WQCBPOUKYVGZNM-CBAPKCEASA-N 0 0 191.278 2.586 10 0 AFAERN CC(C)c1nc(-c2ccsc2)n[nH]1 41057065 343229371 /nfs/dbraw/zinc/22/93/71/343229371.db2.gz QIYOFINEYCHDCA-UHFFFAOYSA-N 0 0 193.275 2.657 10 0 AFAERN CC[C@H](C)c1nnc(C2CCCC2)[nH]1 41058423 343229410 /nfs/dbraw/zinc/22/94/10/343229410.db2.gz FOERCZROWIUVDR-QMMMGPOBSA-N 0 0 193.294 2.976 10 0 AFAERN CCc1cccc(OC(F)F)c1 41168496 343230841 /nfs/dbraw/zinc/23/08/41/343230841.db2.gz MTEHTOHEKGNGRF-UHFFFAOYSA-N 0 0 172.174 2.850 10 0 AFAERN Cc1ccc(OC(F)F)cc1C 41168506 343230870 /nfs/dbraw/zinc/23/08/70/343230870.db2.gz LODDBLGLIYMBGQ-UHFFFAOYSA-N 0 0 172.174 2.905 10 0 AFAERN CCc1ccc(OC(F)F)cc1 41168498 343230950 /nfs/dbraw/zinc/23/09/50/343230950.db2.gz KNXOGBBPLXJSEY-UHFFFAOYSA-N 0 0 172.174 2.850 10 0 AFAERN Cc1cccc(-c2nc(C)c[nH]2)c1 41168537 343231114 /nfs/dbraw/zinc/23/11/14/343231114.db2.gz VJRZCLJWXNMUKP-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN Cc1csc(-c2ccco2)n1 41167938 343231127 /nfs/dbraw/zinc/23/11/27/343231127.db2.gz IYJAHGLMNHLPPU-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN Cc1c[nH]c(-c2ccccc2C)n1 41168534 343231146 /nfs/dbraw/zinc/23/11/46/343231146.db2.gz KLTMROICNAWLMV-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN Cc1ccc([C@H](C)CCO)cc1C 41200526 343231409 /nfs/dbraw/zinc/23/14/09/343231409.db2.gz KAJHUMFCAVBGBC-SNVBAGLBSA-N 0 0 178.275 2.789 10 0 AFAERN CCc1ccc2c(c1)C(=O)[C@@H](C)C2 41198854 343231376 /nfs/dbraw/zinc/23/13/76/343231376.db2.gz JJARVPPFJKHTKJ-QMMMGPOBSA-N 0 0 174.243 2.624 10 0 AFAERN CC[C@H]1CC(=O)c2cc(F)ccc21 41200294 343231389 /nfs/dbraw/zinc/23/13/89/343231389.db2.gz CGTWEJADTHGJNA-ZETCQYMHSA-N 0 0 178.206 2.906 10 0 AFAERN Cc1ccc([C@@H](C)CCO)c(C)c1 41200547 343231450 /nfs/dbraw/zinc/23/14/50/343231450.db2.gz FVQQAMVNOJEVRU-JTQLQIEISA-N 0 0 178.275 2.789 10 0 AFAERN Cc1ccc([C@@H](C)CCO)cc1C 41200523 343231461 /nfs/dbraw/zinc/23/14/61/343231461.db2.gz KAJHUMFCAVBGBC-JTQLQIEISA-N 0 0 178.275 2.789 10 0 AFAERN Cc1cc(C)c([C@H](C)CO)c(C)c1 41200562 343231500 /nfs/dbraw/zinc/23/15/00/343231500.db2.gz DBXMHCIEGUDLGH-LLVKDONJSA-N 0 0 178.275 2.708 10 0 AFAERN CCc1ccc([C@@H](C)CCO)cc1 41200512 343231507 /nfs/dbraw/zinc/23/15/07/343231507.db2.gz KUZMETXLPUUJRW-JTQLQIEISA-N 0 0 178.275 2.735 10 0 AFAERN Cc1cccc([C@H](O)C2CC2)c1C 41199608 343231510 /nfs/dbraw/zinc/23/15/10/343231510.db2.gz MVSPOIQESCMFMR-GFCCVEGCSA-N 0 0 176.259 2.747 10 0 AFAERN CCc1ccc([C@H](C)CCO)cc1 41200515 343231522 /nfs/dbraw/zinc/23/15/22/343231522.db2.gz KUZMETXLPUUJRW-SNVBAGLBSA-N 0 0 178.275 2.735 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)C[C@H]2C 41198866 343231541 /nfs/dbraw/zinc/23/15/41/343231541.db2.gz JMQGNXNCRBNNTJ-SECBINFHSA-N 0 0 174.243 2.993 10 0 AFAERN CCc1ccc2c(c1)C(=O)C[C@H]2C 41198860 343231562 /nfs/dbraw/zinc/23/15/62/343231562.db2.gz JYDWZDLJJNYUOV-MRVPVSSYSA-N 0 0 174.243 2.939 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)C[C@@H]2C 41198863 343231603 /nfs/dbraw/zinc/23/16/03/343231603.db2.gz JMQGNXNCRBNNTJ-VIFPVBQESA-N 0 0 174.243 2.993 10 0 AFAERN Cc1ccc([C@H](C)CCO)c(C)c1 41200550 343231606 /nfs/dbraw/zinc/23/16/06/343231606.db2.gz FVQQAMVNOJEVRU-SNVBAGLBSA-N 0 0 178.275 2.789 10 0 AFAERN CCc1ccc(-c2nc(C)c[nH]2)cc1 41203508 343231668 /nfs/dbraw/zinc/23/16/68/343231668.db2.gz HTYNKPJWTMPDHB-UHFFFAOYSA-N 0 0 186.258 2.948 10 0 AFAERN CC(C)[C@H](O)c1cc(F)cc(F)c1 41203399 343231689 /nfs/dbraw/zinc/23/16/89/343231689.db2.gz KMERZLUHGATBSM-JTQLQIEISA-N 0 0 186.201 2.654 10 0 AFAERN CC(C)[C@@H](O)c1cc(F)cc(F)c1 41203402 343231733 /nfs/dbraw/zinc/23/17/33/343231733.db2.gz KMERZLUHGATBSM-SNVBAGLBSA-N 0 0 186.201 2.654 10 0 AFAERN Cc1cccc(C[C@@H]2CCCC2=O)c1 41204183 343231786 /nfs/dbraw/zinc/23/17/86/343231786.db2.gz LEBBOQGKHQZUBV-LBPRGKRZSA-N 0 0 188.270 2.907 10 0 AFAERN Cc1cccc([C@@H](O)c2ccco2)c1 41204087 343231816 /nfs/dbraw/zinc/23/18/16/343231816.db2.gz VWYKVBXJVXMUJR-GFCCVEGCSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1cccc([C@H](O)c2ccco2)c1 41204085 343231863 /nfs/dbraw/zinc/23/18/63/343231863.db2.gz VWYKVBXJVXMUJR-LBPRGKRZSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1cccc(C[C@H]2CCCC2=O)c1 41204185 343231867 /nfs/dbraw/zinc/23/18/67/343231867.db2.gz LEBBOQGKHQZUBV-GFCCVEGCSA-N 0 0 188.270 2.907 10 0 AFAERN CC[C@H](C(=O)OC)c1ccc(C)cc1 41205894 343232076 /nfs/dbraw/zinc/23/20/76/343232076.db2.gz BXQUQDMWOCNVQF-NSHDSACASA-N 0 0 192.258 2.662 10 0 AFAERN Cc1ccc(C[C@@H]2CCCC2=O)cc1 41204187 343232111 /nfs/dbraw/zinc/23/21/11/343232111.db2.gz AMWHISPUMUVDDD-LBPRGKRZSA-N 0 0 188.270 2.907 10 0 AFAERN CC[C@@H]1CC(=O)c2cc(OC)ccc21 41205022 343232148 /nfs/dbraw/zinc/23/21/48/343232148.db2.gz VGOBPLHWVPRSIG-MRVPVSSYSA-N 0 0 190.242 2.775 10 0 AFAERN Cc1ccc(C)c(CC(=O)C2CC2)c1 41204193 343232207 /nfs/dbraw/zinc/23/22/07/343232207.db2.gz HDHQITOOBJQSCH-UHFFFAOYSA-N 0 0 188.270 2.825 10 0 AFAERN Cc1ccc(C)c(C[C@@H](C)[C@@H](C)O)c1 41206010 343232276 /nfs/dbraw/zinc/23/22/76/343232276.db2.gz MYLDXFPYHZQZCF-VXGBXAGGSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C(C)C)C(=O)N2 41204749 343232333 /nfs/dbraw/zinc/23/23/33/343232333.db2.gz HKWKOCRXMXIJKL-LLVKDONJSA-N 0 0 189.258 2.687 10 0 AFAERN CC[C@H]1CC(=O)c2cc(OC)ccc21 41205023 343232344 /nfs/dbraw/zinc/23/23/44/343232344.db2.gz VGOBPLHWVPRSIG-QMMMGPOBSA-N 0 0 190.242 2.775 10 0 AFAERN Cc1ccc(C[C@H]2CCCC2=O)cc1 41204189 343232345 /nfs/dbraw/zinc/23/23/45/343232345.db2.gz AMWHISPUMUVDDD-GFCCVEGCSA-N 0 0 188.270 2.907 10 0 AFAERN CCC(=O)CCc1ccccc1OC 41205891 343232367 /nfs/dbraw/zinc/23/23/67/343232367.db2.gz GZMTYGAQFHDEEA-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN C[C@H](O)[C@@H](C)Cc1cccc(Cl)c1 41209621 343232421 /nfs/dbraw/zinc/23/24/21/343232421.db2.gz SECJMVQTNGCYNK-IUCAKERBSA-N 0 0 198.693 2.899 10 0 AFAERN Cc1ccc(C)c(-c2ccc(N)nc2)c1 41209405 343232474 /nfs/dbraw/zinc/23/24/74/343232474.db2.gz HIUUHXSAMKCLAP-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C[C@H](O)[C@H](C)Cc1cccc(Cl)c1 41209623 343232495 /nfs/dbraw/zinc/23/24/95/343232495.db2.gz SECJMVQTNGCYNK-BDAKNGLRSA-N 0 0 198.693 2.899 10 0 AFAERN Cc1ccc(C)c(C[C@H](C)[C@H](C)O)c1 41206013 343232698 /nfs/dbraw/zinc/23/26/98/343232698.db2.gz MYLDXFPYHZQZCF-RYUDHWBXSA-N 0 0 192.302 2.863 10 0 AFAERN CC[C@@H]1C(=O)Nc2ccc(Cl)cc21 41207206 343232761 /nfs/dbraw/zinc/23/27/61/343232761.db2.gz FRCQDVQBKBEJKN-ZETCQYMHSA-N 0 0 195.649 2.786 10 0 AFAERN Cc1cc2oc(=O)[nH]c2c(C)c1Cl 41568828 343234844 /nfs/dbraw/zinc/23/48/44/343234844.db2.gz HRQITRJKRVRVOR-UHFFFAOYSA-N 0 0 197.621 2.804 10 0 AFAERN CC[C@@H]1CNc2ccccc2S1 41581361 343234877 /nfs/dbraw/zinc/23/48/77/343234877.db2.gz RXNATZXEDUHDDK-MRVPVSSYSA-N 0 0 179.288 2.983 10 0 AFAERN Cc1cnc(-c2cccc(N)c2)s1 41579932 343234986 /nfs/dbraw/zinc/23/49/86/343234986.db2.gz AMGOTGDFXZLSID-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC[C@H]1CNc2ccccc2S1 41581362 343235085 /nfs/dbraw/zinc/23/50/85/343235085.db2.gz RXNATZXEDUHDDK-QMMMGPOBSA-N 0 0 179.288 2.983 10 0 AFAERN CC(C)Cc1nnc(NC(C)C)s1 41651060 343235480 /nfs/dbraw/zinc/23/54/80/343235480.db2.gz XZRYHLMNNLXROD-UHFFFAOYSA-N 0 0 199.323 2.557 10 0 AFAERN Cc1cc2c(n1C(C)C)CCC[C@@H]2O 41713065 343235864 /nfs/dbraw/zinc/23/58/64/343235864.db2.gz ICXUTJSCJJSHHT-LBPRGKRZSA-N 0 0 193.290 2.747 10 0 AFAERN CCn1ccc2c1CC(C)(C)CC2=O 41705086 343235933 /nfs/dbraw/zinc/23/59/33/343235933.db2.gz INJYFOIYFUHBFU-UHFFFAOYSA-N 0 0 191.274 2.663 10 0 AFAERN Cc1cc2c(n1C1CC1)CCC[C@H]2O 41712462 343235966 /nfs/dbraw/zinc/23/59/66/343235966.db2.gz SUIYMDDPNHBMSO-GFCCVEGCSA-N 0 0 191.274 2.501 10 0 AFAERN CCn1ccc2c1CC(C)(C)C[C@@H]2O 41712451 343235968 /nfs/dbraw/zinc/23/59/68/343235968.db2.gz GUQKVIDXYOJVMB-NSHDSACASA-N 0 0 193.290 2.514 10 0 AFAERN CC(C)n1ccc2c1CCCC2=O 41705318 343236015 /nfs/dbraw/zinc/23/60/15/343236015.db2.gz FDCWGNZUIHTRBU-UHFFFAOYSA-N 0 0 177.247 2.588 10 0 AFAERN CC[C@H](C)n1ccc2c1CCC[C@H]2O 41712373 343236037 /nfs/dbraw/zinc/23/60/37/343236037.db2.gz SNOITBXRKBQZAO-JOYOIKCWSA-N 0 0 193.290 2.829 10 0 AFAERN CCCCn1ccc2c1CCC[C@H]2O 41713619 343236084 /nfs/dbraw/zinc/23/60/84/343236084.db2.gz ATMHFJJQPKBWQE-GFCCVEGCSA-N 0 0 193.290 2.658 10 0 AFAERN Cc1cc2c(n1C1CC1)CCC[C@@H]2O 41712458 343236125 /nfs/dbraw/zinc/23/61/25/343236125.db2.gz SUIYMDDPNHBMSO-LBPRGKRZSA-N 0 0 191.274 2.501 10 0 AFAERN Cc1cc2c(n1C(C)C)CCC[C@H]2O 41713069 343236173 /nfs/dbraw/zinc/23/61/73/343236173.db2.gz ICXUTJSCJJSHHT-GFCCVEGCSA-N 0 0 193.290 2.747 10 0 AFAERN CC[C@H](C)n1ccc2c1CCC[C@@H]2O 41712365 343236185 /nfs/dbraw/zinc/23/61/85/343236185.db2.gz SNOITBXRKBQZAO-CABZTGNLSA-N 0 0 193.290 2.829 10 0 AFAERN CC1(Nc2ccccn2)CCCC1 42187757 343237981 /nfs/dbraw/zinc/23/79/81/343237981.db2.gz XKYOMEIRNLAMRB-UHFFFAOYSA-N 0 0 176.263 2.826 10 0 AFAERN Cc1cc(N)n(C2CCCCCC2)n1 42288513 343239380 /nfs/dbraw/zinc/23/93/80/343239380.db2.gz GEMXZGJCBZWCPL-UHFFFAOYSA-N 0 0 193.294 2.669 10 0 AFAERN CC(C)c1nc(Cl)c2c(n1)CCC2 42400202 343241382 /nfs/dbraw/zinc/24/13/82/343241382.db2.gz BFMJMYLOVJOUDY-UHFFFAOYSA-N 0 0 196.681 2.742 10 0 AFAERN C/C=C\C(=O)c1ccc(F)c(F)c1 42394541 343241459 /nfs/dbraw/zinc/24/14/59/343241459.db2.gz UKOVCUFAUILQLV-IHWYPQMZSA-N 0 0 182.169 2.724 10 0 AFAERN C/C=C\C(=O)c1cccc(C)c1 42394583 343241471 /nfs/dbraw/zinc/24/14/71/343241471.db2.gz DLUNNPXUTDZTJK-HYXAFXHYSA-N 0 0 160.216 2.754 10 0 AFAERN CCc1nc(Cl)c2c(n1)CCCC2 42403539 343241683 /nfs/dbraw/zinc/24/16/83/343241683.db2.gz WYVHIVIYHIIDPS-UHFFFAOYSA-N 0 0 196.681 2.571 10 0 AFAERN CC(C)Oc1ccc2c(c1)C(=O)CC2 42405039 343241796 /nfs/dbraw/zinc/24/17/96/343241796.db2.gz NMBQLDASQVSGAV-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN Cc1cnc(-c2c(C)cccc2N)o1 42413495 343241813 /nfs/dbraw/zinc/24/18/13/343241813.db2.gz PMMQTPAFGFTJLY-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cnc(-c2ccc(N)c(C)c2)o1 42413496 343241844 /nfs/dbraw/zinc/24/18/44/343241844.db2.gz VWLGXCALQIVXFB-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCc1ccc(-c2cc[nH]n2)s1 42415034 343242110 /nfs/dbraw/zinc/24/21/10/343242110.db2.gz AYLVNFZSQWDZRF-UHFFFAOYSA-N 0 0 178.260 2.701 10 0 AFAERN CC[C@H](C)[C@@H](C)Nc1ccc(N)cn1 42552737 343246809 /nfs/dbraw/zinc/24/68/09/343246809.db2.gz DNMKJZJWHUBOMJ-DTWKUNHWSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@H](C)[C@H](C)Nc1ccc(N)nc1 42552222 343246836 /nfs/dbraw/zinc/24/68/36/343246836.db2.gz ZUDZSYGMCHHGFS-IUCAKERBSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@H](C)[C@H](C)Nc1ccc(N)cn1 42552743 343246965 /nfs/dbraw/zinc/24/69/65/343246965.db2.gz DNMKJZJWHUBOMJ-IUCAKERBSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@H](C)[C@@H](C)Nc1ccc(N)nc1 42552217 343246968 /nfs/dbraw/zinc/24/69/68/343246968.db2.gz ZUDZSYGMCHHGFS-DTWKUNHWSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@@H](C)[C@@H](C)n1cn[nH]c1=S 42557493 343247307 /nfs/dbraw/zinc/24/73/07/343247307.db2.gz HFEUHPHSRUZIBN-RNFRBKRXSA-N 0 0 185.296 2.548 10 0 AFAERN CC[C@H](C)[C@@H](C)n1c(C)n[nH]c1=S 42557508 343247427 /nfs/dbraw/zinc/24/74/27/343247427.db2.gz DYTHKQGIHJCYBT-NKWVEPMBSA-N 0 0 199.323 2.856 10 0 AFAERN CC[C@@H](C)[C@H](C)n1c(C)n[nH]c1=S 42557511 343247484 /nfs/dbraw/zinc/24/74/84/343247484.db2.gz DYTHKQGIHJCYBT-RQJHMYQMSA-N 0 0 199.323 2.856 10 0 AFAERN CC[C@@H](C)[C@H](C)n1cn[nH]c1=S 42557499 343247487 /nfs/dbraw/zinc/24/74/87/343247487.db2.gz HFEUHPHSRUZIBN-RQJHMYQMSA-N 0 0 185.296 2.548 10 0 AFAERN CC[C@@H](C)[C@@H](C)n1c(C)n[nH]c1=S 42557505 343247514 /nfs/dbraw/zinc/24/75/14/343247514.db2.gz DYTHKQGIHJCYBT-RNFRBKRXSA-N 0 0 199.323 2.856 10 0 AFAERN CC[C@H](C)[C@H](C)n1c(C)n[nH]c1=S 42557514 343247528 /nfs/dbraw/zinc/24/75/28/343247528.db2.gz DYTHKQGIHJCYBT-BQBZGAKWSA-N 0 0 199.323 2.856 10 0 AFAERN CC[C@@H](Nc1ccc(C)nn1)C(C)C 42590816 343247779 /nfs/dbraw/zinc/24/77/79/343247779.db2.gz PESAFCYLPWJBED-SNVBAGLBSA-N 0 0 193.294 2.632 10 0 AFAERN CC[C@@H](Nc1cc(C)ncn1)C(C)C 42590771 343247785 /nfs/dbraw/zinc/24/77/85/343247785.db2.gz HWQHHGCPYCDOBK-SNVBAGLBSA-N 0 0 193.294 2.632 10 0 AFAERN CC[C@H](Nc1ccc(N)cn1)C(C)C 42586843 343247790 /nfs/dbraw/zinc/24/77/90/343247790.db2.gz PAEJASGDOWORSM-JTQLQIEISA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@H](Nc1cc(C)ncn1)C(C)C 42590769 343247939 /nfs/dbraw/zinc/24/79/39/343247939.db2.gz HWQHHGCPYCDOBK-JTQLQIEISA-N 0 0 193.294 2.632 10 0 AFAERN CC[C@@H](Nc1ccc(N)cn1)C(C)C 42586845 343247992 /nfs/dbraw/zinc/24/79/92/343247992.db2.gz PAEJASGDOWORSM-SNVBAGLBSA-N 0 0 193.294 2.510 10 0 AFAERN C[C@H](Cc1ccco1)n1cccc1 42593107 343248336 /nfs/dbraw/zinc/24/83/36/343248336.db2.gz GMGCMFUQXXFQBQ-SNVBAGLBSA-N 0 0 175.231 2.885 10 0 AFAERN Cc1ccsc1C(=O)[C@H]1C[C@H]1C 42728558 343248784 /nfs/dbraw/zinc/24/87/84/343248784.db2.gz FATXYAFKILISEJ-SFYZADRCSA-N 0 0 180.272 2.895 10 0 AFAERN Cc1ccsc1[C@@H](N)c1ccco1 42728728 343248847 /nfs/dbraw/zinc/24/88/47/343248847.db2.gz UJYNGEHSVLHYCT-VIFPVBQESA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccsc1C(=O)[C@H]1C[C@@H]1C 42728555 343248876 /nfs/dbraw/zinc/24/88/76/343248876.db2.gz FATXYAFKILISEJ-YUMQZZPRSA-N 0 0 180.272 2.895 10 0 AFAERN Cc1ccsc1C(=O)c1ccoc1 42728661 343248916 /nfs/dbraw/zinc/24/89/16/343248916.db2.gz QMPDKWWZUGSTEV-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1ccsc1[C@@H](O)C1CCC1 42731460 343248980 /nfs/dbraw/zinc/24/89/80/343248980.db2.gz VRRTUCOKAHGQHW-VIFPVBQESA-N 0 0 182.288 2.890 10 0 AFAERN Cc1ccsc1-c1csc(N)n1 42730760 343249085 /nfs/dbraw/zinc/24/90/85/343249085.db2.gz ZOSZPJUDPZTKRP-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN Cc1ccsc1[C@H](N)c1ccco1 42728726 343249089 /nfs/dbraw/zinc/24/90/89/343249089.db2.gz UJYNGEHSVLHYCT-SECBINFHSA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccsc1C(=O)[C@@H]1C[C@H]1C 42728556 343249106 /nfs/dbraw/zinc/24/91/06/343249106.db2.gz FATXYAFKILISEJ-HTQZYQBOSA-N 0 0 180.272 2.895 10 0 AFAERN C[C@H]1C[C@@H]1c1ccc(/C=C/[N+](=O)[O-])o1 42905168 343250147 /nfs/dbraw/zinc/25/01/47/343250147.db2.gz MMIPIXGOTWQMIU-OIAKKESJSA-N 0 0 193.202 2.650 10 0 AFAERN C[C@H]1C[C@H]1c1ccc(/C=C/[N+](=O)[O-])o1 42905174 343250391 /nfs/dbraw/zinc/25/03/91/343250391.db2.gz MMIPIXGOTWQMIU-HXOXMVQHSA-N 0 0 193.202 2.650 10 0 AFAERN Cc1cccc(-c2ncc[nH]2)c1C 42966382 343250397 /nfs/dbraw/zinc/25/03/97/343250397.db2.gz NXUCETYUQFSJBO-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN Cc1c(Cl)ccc2sc(=O)[nH]c12 43220503 343250521 /nfs/dbraw/zinc/25/05/21/343250521.db2.gz YZOBSRSAWBCNTB-UHFFFAOYSA-N 0 0 199.662 2.551 10 0 AFAERN Cc1c(F)cccc1-n1cccc1 43321796 343251285 /nfs/dbraw/zinc/25/12/85/343251285.db2.gz NXGMQIHRPURDPG-UHFFFAOYSA-N 0 0 175.206 2.925 10 0 AFAERN Cc1cccc(/C=C/[N+](=O)[O-])c1C 43315424 343251542 /nfs/dbraw/zinc/25/15/42/343251542.db2.gz RMHDCGTVXXYXMP-VOTSOKGWSA-N 0 0 177.203 2.551 10 0 AFAERN CC(C)Cc1c([C@@H]2C[C@@H]2C)noc1N 43375935 343251572 /nfs/dbraw/zinc/25/15/72/343251572.db2.gz JQASRTNPKZPWQL-JGVFFNPUSA-N 0 0 194.278 2.579 10 0 AFAERN C[C@H]1CCC[C@H](C)C1(O)C(F)(F)F 43368086 343251662 /nfs/dbraw/zinc/25/16/62/343251662.db2.gz YVDULNXKFQZJMD-BQBZGAKWSA-N 0 0 196.212 2.736 10 0 AFAERN CC(C)Cc1c([C@@H]2C[C@H]2C)noc1N 43375933 343251701 /nfs/dbraw/zinc/25/17/01/343251701.db2.gz JQASRTNPKZPWQL-HTQZYQBOSA-N 0 0 194.278 2.579 10 0 AFAERN C/C=C\C(=O)c1cc(F)cc(F)c1 43387637 343251775 /nfs/dbraw/zinc/25/17/75/343251775.db2.gz AJGPZEHAXXMBLV-IHWYPQMZSA-N 0 0 182.169 2.724 10 0 AFAERN CC(C)Cc1c([C@H]2C[C@H]2C)noc1N 43375930 343251863 /nfs/dbraw/zinc/25/18/63/343251863.db2.gz JQASRTNPKZPWQL-SFYZADRCSA-N 0 0 194.278 2.579 10 0 AFAERN C[C@@H]1CCC[C@@H](C)C1(O)C(F)(F)F 43368087 343251867 /nfs/dbraw/zinc/25/18/67/343251867.db2.gz YVDULNXKFQZJMD-RNFRBKRXSA-N 0 0 196.212 2.736 10 0 AFAERN Cc1cc(C)cc(/C=C/[N+](=O)[O-])c1 43393169 343252119 /nfs/dbraw/zinc/25/21/19/343252119.db2.gz JKCDUWHHTPOBJV-ONEGZZNKSA-N 0 0 177.203 2.551 10 0 AFAERN CC(C)C(=O)Cc1cc(F)ccc1F 43459369 343252651 /nfs/dbraw/zinc/25/26/51/343252651.db2.gz UIVBULXPQUCTOF-UHFFFAOYSA-N 0 0 198.212 2.732 10 0 AFAERN COCC(=O)c1cccc(C(C)C)c1 43504874 343252835 /nfs/dbraw/zinc/25/28/35/343252835.db2.gz TYLHCNDEKKKZQH-UHFFFAOYSA-N 0 0 192.258 2.639 10 0 AFAERN CCC(C)(C)Nc1nccnc1Cl 43537261 343254618 /nfs/dbraw/zinc/25/46/18/343254618.db2.gz HSQXPFZTICFQKP-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN CC(C)[C@H](C)Nc1nccnc1Cl 43537090 343254629 /nfs/dbraw/zinc/25/46/29/343254629.db2.gz WVSCNIFPHMDOEL-ZETCQYMHSA-N 0 0 199.685 2.586 10 0 AFAERN CC(C)Sc1nccnc1Cl 43538487 343254727 /nfs/dbraw/zinc/25/47/27/343254727.db2.gz ACQXGCNDMDEPBW-UHFFFAOYSA-N 0 0 188.683 2.631 10 0 AFAERN CC(C)[C@H](C)Nc1cncc(Cl)n1 43537085 343254729 /nfs/dbraw/zinc/25/47/29/343254729.db2.gz UAIZMTHQQBGZDR-ZETCQYMHSA-N 0 0 199.685 2.586 10 0 AFAERN CC(C)[C@@H](C)Nc1nccnc1Cl 43537088 343254740 /nfs/dbraw/zinc/25/47/40/343254740.db2.gz WVSCNIFPHMDOEL-SSDOTTSWSA-N 0 0 199.685 2.586 10 0 AFAERN CC[C@H](C)Sc1cc(N)ccn1 43569701 343255908 /nfs/dbraw/zinc/25/59/08/343255908.db2.gz ADYXXYCZQDWUKT-ZETCQYMHSA-N 0 0 182.292 2.554 10 0 AFAERN Cc1ccc([C@H](N)c2ccsc2)o1 43609887 343256451 /nfs/dbraw/zinc/25/64/51/343256451.db2.gz YDJIBSMTANGNPB-SNVBAGLBSA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccc(C(=O)c2occc2C)o1 43608962 343256490 /nfs/dbraw/zinc/25/64/90/343256490.db2.gz RNWCEQFUBYCJMO-UHFFFAOYSA-N 0 0 190.198 2.720 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@H]2C)c(C)o1 43609442 343256510 /nfs/dbraw/zinc/25/65/10/343256510.db2.gz SEPVTAZGJSHZOH-HZGVNTEJSA-N 0 0 178.231 2.735 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@@H]2C)c(C)o1 43609439 343256530 /nfs/dbraw/zinc/25/65/30/343256530.db2.gz SEPVTAZGJSHZOH-RCOVLWMOSA-N 0 0 178.231 2.735 10 0 AFAERN CC[C@H](C)C(=O)c1ccco1 43606597 343256556 /nfs/dbraw/zinc/25/65/56/343256556.db2.gz XJCKRYXXPUXMBU-ZETCQYMHSA-N 0 0 152.193 2.508 10 0 AFAERN Cc1ccc(C(=O)c2ccsc2)o1 43608956 343256655 /nfs/dbraw/zinc/25/66/55/343256655.db2.gz OBUJROYCAQFOPE-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1cc(C(=O)C2CCC2)c(C)o1 43609414 343256658 /nfs/dbraw/zinc/25/66/58/343256658.db2.gz HENQBGGYPOXURO-UHFFFAOYSA-N 0 0 178.231 2.879 10 0 AFAERN Cc1ccc(Cl)c2c1C(=O)[C@@H](C)O2 43633252 343257241 /nfs/dbraw/zinc/25/72/41/343257241.db2.gz VDEWILBOJDYVQA-ZCFIWIBFSA-N 0 0 196.633 2.612 10 0 AFAERN Cc1cc(Cl)cc2c1O[C@@H](C)C2=O 43633068 343257338 /nfs/dbraw/zinc/25/73/38/343257338.db2.gz OBYQRFIDFGSTKS-LURJTMIESA-N 0 0 196.633 2.612 10 0 AFAERN CCC[C@H]1CCCCCC1=O 43650071 343258217 /nfs/dbraw/zinc/25/82/17/343258217.db2.gz ZNKCSGMUBTZFAM-VIFPVBQESA-N 0 0 154.253 2.936 10 0 AFAERN Cc1cccc(C[C@@H]2CCC[C@H]2O)c1 43656115 343258418 /nfs/dbraw/zinc/25/84/18/343258418.db2.gz IPACJQCSXBZOFP-QWHCGFSZSA-N 0 0 190.286 2.699 10 0 AFAERN C/C=C/C[C@@H]1C[C@H](C)CCC1=O 43651928 343258428 /nfs/dbraw/zinc/25/84/28/343258428.db2.gz JZOLPGOBEAKTEV-HIHHVFROSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1cccc(C[C@@H]2CCC[C@@H]2O)c1 43656111 343258429 /nfs/dbraw/zinc/25/84/29/343258429.db2.gz IPACJQCSXBZOFP-STQMWFEESA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc(C)c(CC[C@H](C)O)c1 43656805 343258431 /nfs/dbraw/zinc/25/84/31/343258431.db2.gz OELGGCFHHBXXFF-NSHDSACASA-N 0 0 178.275 2.617 10 0 AFAERN C/C=C/C[C@@H]1C[C@@H](C)CCC1=O 43651932 343258432 /nfs/dbraw/zinc/25/84/32/343258432.db2.gz JZOLPGOBEAKTEV-FCVPOFOPSA-N 0 0 166.264 2.958 10 0 AFAERN CCC[C@H]1C[C@H](C)CCC1=O 43652117 343258438 /nfs/dbraw/zinc/25/84/38/343258438.db2.gz GAFRYXSMFQAJGU-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@H]1C[C@@H](C)CCC1=O 43652120 343258457 /nfs/dbraw/zinc/25/84/57/343258457.db2.gz GAFRYXSMFQAJGU-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](O)CCc1cccc(C)c1 43657793 343258462 /nfs/dbraw/zinc/25/84/62/343258462.db2.gz GDXMRJCQYVCPFS-LBPRGKRZSA-N 0 0 178.275 2.699 10 0 AFAERN C/C=C/C[C@@H]1CCCCC[C@H]1O 43658815 343258466 /nfs/dbraw/zinc/25/84/66/343258466.db2.gz LQNCZEFJMZPPLY-WUNPDAOYSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1cc(C)cc(C[C@@H](C)[C@@H](C)O)c1 43658717 343258501 /nfs/dbraw/zinc/25/85/01/343258501.db2.gz YSDICEWIQPERJS-VXGBXAGGSA-N 0 0 192.302 2.863 10 0 AFAERN C[C@H](O)CCc1ccc(Cl)cc1 43656691 343258510 /nfs/dbraw/zinc/25/85/10/343258510.db2.gz NMHKGZZVRRFXJO-QMMMGPOBSA-N 0 0 184.666 2.653 10 0 AFAERN Cc1ccc(CC[C@@H](C)O)cc1C 43656833 343258516 /nfs/dbraw/zinc/25/85/16/343258516.db2.gz TYAGLQZKFKQDIQ-LLVKDONJSA-N 0 0 178.275 2.617 10 0 AFAERN C[C@H](O)CCc1ccc(Cl)s1 43656724 343258520 /nfs/dbraw/zinc/25/85/20/343258520.db2.gz LXCTYJKOEZIVGV-LURJTMIESA-N 0 0 190.695 2.715 10 0 AFAERN CC[C@H](O)CCc1ccc(C)cc1 43657785 343258524 /nfs/dbraw/zinc/25/85/24/343258524.db2.gz NZRYPSGNYDWDGA-LBPRGKRZSA-N 0 0 178.275 2.699 10 0 AFAERN CC[C@H](O)CCc1ccccc1F 43657723 343258529 /nfs/dbraw/zinc/25/85/29/343258529.db2.gz NOHGOWVNNYGWPZ-JTQLQIEISA-N 0 0 182.238 2.529 10 0 AFAERN Cc1cc(C)cc(C[C@@H](C)[C@H](C)O)c1 43658719 343258547 /nfs/dbraw/zinc/25/85/47/343258547.db2.gz YSDICEWIQPERJS-NEPJUHHUSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1ccc(CC[C@H](C)O)cc1C 43656835 343258552 /nfs/dbraw/zinc/25/85/52/343258552.db2.gz TYAGLQZKFKQDIQ-NSHDSACASA-N 0 0 178.275 2.617 10 0 AFAERN C[C@H](O)CCc1cccc(Cl)c1 43656695 343258567 /nfs/dbraw/zinc/25/85/67/343258567.db2.gz GVCRUVCCDJVVQA-QMMMGPOBSA-N 0 0 184.666 2.653 10 0 AFAERN CC[C@@H](O)CCc1ccc(C)cc1 43657787 343258573 /nfs/dbraw/zinc/25/85/73/343258573.db2.gz NZRYPSGNYDWDGA-GFCCVEGCSA-N 0 0 178.275 2.699 10 0 AFAERN Cc1cc(C)cc(C[C@H](C)[C@H](C)O)c1 43658720 343258578 /nfs/dbraw/zinc/25/85/78/343258578.db2.gz YSDICEWIQPERJS-RYUDHWBXSA-N 0 0 192.302 2.863 10 0 AFAERN CC[C@H](O)CCc1cccc(F)c1 43657781 343258594 /nfs/dbraw/zinc/25/85/94/343258594.db2.gz BXQSRPDOWMRUQL-NSHDSACASA-N 0 0 182.238 2.529 10 0 AFAERN Cc1cc(N)n([C@H]2CCC[C@@H](C)C2)n1 43664180 343258748 /nfs/dbraw/zinc/25/87/48/343258748.db2.gz REVPAIRCLQGWLX-SCZZXKLOSA-N 0 0 193.294 2.525 10 0 AFAERN CCC[C@@H]1C[C@@H](C)CCC1=O 43652119 343258612 /nfs/dbraw/zinc/25/86/12/343258612.db2.gz GAFRYXSMFQAJGU-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@@H]1C[C@H](C)CCC1=O 43652115 343258614 /nfs/dbraw/zinc/25/86/14/343258614.db2.gz GAFRYXSMFQAJGU-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(N)n([C@H]2CCC[C@H](C)C2)n1 43664174 343258737 /nfs/dbraw/zinc/25/87/37/343258737.db2.gz REVPAIRCLQGWLX-WPRPVWTQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)n([C@@H]2CCC[C@@H](C)C2)n1 43664177 343258837 /nfs/dbraw/zinc/25/88/37/343258837.db2.gz REVPAIRCLQGWLX-PSASIEDQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)n([C@@H]2CCC[C@H](C)C2)n1 43664171 343258841 /nfs/dbraw/zinc/25/88/41/343258841.db2.gz REVPAIRCLQGWLX-WCBMZHEXSA-N 0 0 193.294 2.525 10 0 AFAERN CCC[C@@H]1C[C@H](CC)CC[C@@H]1O 43660768 343258858 /nfs/dbraw/zinc/25/88/58/343258858.db2.gz APCJGJRKDIPDKO-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(N)n(C2CCC(C)CC2)n1 43664110 343258883 /nfs/dbraw/zinc/25/88/83/343258883.db2.gz QSOHUARWWOGFOY-UHFFFAOYSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)n([C@@H]2CCCC[C@H]2C)n1 43666833 343258886 /nfs/dbraw/zinc/25/88/86/343258886.db2.gz YLRXGWUADKKJQG-PSASIEDQSA-N 0 0 193.294 2.525 10 0 AFAERN CCC[C@@H]1CC[C@@H](O)[C@H](C)C1 43661065 343258946 /nfs/dbraw/zinc/25/89/46/343258946.db2.gz INOPXYFZMODIBL-OPRDCNLKSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@@H]1CC[C@@]2(C)CCC(=O)O[C@@H]12 43762427 343259121 /nfs/dbraw/zinc/25/91/21/343259121.db2.gz BFGWZEQTMHYVEM-DLOVCJGASA-N 0 0 196.290 2.764 10 0 AFAERN Cc1ccc(C2=NC(=O)CS2)cc1 44119024 343260346 /nfs/dbraw/zinc/26/03/46/343260346.db2.gz SNTQIGGEGJBWAH-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ccccc1C1=NC(=O)CS1 44119135 343260510 /nfs/dbraw/zinc/26/05/10/343260510.db2.gz ALWTZUYPBPUUKE-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cccc(C2=NC(=O)CS2)c1 44119086 343260561 /nfs/dbraw/zinc/26/05/61/343260561.db2.gz YWIKOUXVZCSCAS-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN COc1cc(F)c2cc[nH]c2c1C 44184954 343261832 /nfs/dbraw/zinc/26/18/32/343261832.db2.gz OGNUYIBJUOZYDW-UHFFFAOYSA-N 0 0 179.194 2.624 10 0 in-vitro AFAERN COc1cc(F)c(C)c2[nH]ccc12 44185453 343262085 /nfs/dbraw/zinc/26/20/85/343262085.db2.gz PLDXJHLNURAJIR-UHFFFAOYSA-N 0 0 179.194 2.624 10 0 in-vitro AFAERN Cc1c(F)cc(F)c2cc[nH]c12 44185434 343262167 /nfs/dbraw/zinc/26/21/67/343262167.db2.gz FQHADUUDNYFRKP-UHFFFAOYSA-N 0 0 167.158 2.755 10 0 in-vitro AFAERN Cc1cc(C)c(C2OCCO2)c(C)c1 44227461 343262480 /nfs/dbraw/zinc/26/24/80/343262480.db2.gz AZXYXSXUCDBYEF-UHFFFAOYSA-N 0 0 192.258 2.657 10 0 AFAERN CCC(CC)c1nc2cccnc2[nH]1 44264955 343263274 /nfs/dbraw/zinc/26/32/74/343263274.db2.gz AIMQXZXLOAGCGE-UHFFFAOYSA-N 0 0 189.262 2.862 10 0 AFAERN Cc1ccc(CCO)c2ccccc12 44379687 343264731 /nfs/dbraw/zinc/26/47/31/343264731.db2.gz CJOXAJZBKPONLI-UHFFFAOYSA-N 0 0 186.254 2.683 10 0 AFAERN C[C@H](O)CCc1ccccc1Cl 44469636 343265900 /nfs/dbraw/zinc/26/59/00/343265900.db2.gz CVNNRMVQMCSSII-QMMMGPOBSA-N 0 0 184.666 2.653 10 0 AFAERN c1cc2c(cc1NC1CCC1)CCO2 44481531 343266556 /nfs/dbraw/zinc/26/65/56/343266556.db2.gz HYPLZWSMHPVROZ-UHFFFAOYSA-N 0 0 189.258 2.586 10 0 AFAERN c1cc2n[nH]cc2cc1NC1CCC1 44481066 343266660 /nfs/dbraw/zinc/26/66/60/343266660.db2.gz FRNYLPVXEPQRNI-UHFFFAOYSA-N 0 0 187.246 2.527 10 0 AFAERN Fc1ccc(NC2CCC2)c(F)c1 44480118 343266701 /nfs/dbraw/zinc/26/67/01/343266701.db2.gz HQBQEZZMCZQGTJ-UHFFFAOYSA-N 0 0 183.201 2.929 10 0 AFAERN COCc1cccc(NC2CCC2)c1 44480715 343266726 /nfs/dbraw/zinc/26/67/26/343266726.db2.gz HAUFJTAWHREMRC-UHFFFAOYSA-N 0 0 191.274 2.797 10 0 AFAERN Cc1ccc(NC2CCC2)c(C)c1O 44481607 343266729 /nfs/dbraw/zinc/26/67/29/343266729.db2.gz SZRIVBGHWSQSME-UHFFFAOYSA-N 0 0 191.274 2.973 10 0 AFAERN CN(C)c1ccc(NC2CCC2)cc1 44480709 343266837 /nfs/dbraw/zinc/26/68/37/343266837.db2.gz LROKYBYFHKVCGF-UHFFFAOYSA-N 0 0 190.290 2.717 10 0 AFAERN COc1cnc2[nH]cc(Cl)c2c1C 44712636 343268014 /nfs/dbraw/zinc/26/80/14/343268014.db2.gz OCFIUPCGFBUSKL-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN Cc1cnc2[nH]cc(Cl)c2c1 44712668 343268046 /nfs/dbraw/zinc/26/80/46/343268046.db2.gz HTBCACKOZHHUSN-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN Clc1cnc2[nH]cc(Cl)c2c1 44712674 343268047 /nfs/dbraw/zinc/26/80/47/343268047.db2.gz OFFNVALHBCCTPG-UHFFFAOYSA-N 0 0 187.029 2.870 10 0 AFAERN Cc1ccnc2c(Cl)c[nH]c12 44713006 343268226 /nfs/dbraw/zinc/26/82/26/343268226.db2.gz UQPBDCMDLKTJQP-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN Clc1ccc2[nH]cc(Cl)c2n1 44712847 343268296 /nfs/dbraw/zinc/26/82/96/343268296.db2.gz YSIFHIWIYSUVKU-UHFFFAOYSA-N 0 0 187.029 2.870 10 0 AFAERN Cc1cncc2[nH]cc(Cl)c12 44712825 343268307 /nfs/dbraw/zinc/26/83/07/343268307.db2.gz TVIGATBLHHARBW-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN Cc1cc(O)cc2sc(Cl)nc12 44712739 343268312 /nfs/dbraw/zinc/26/83/12/343268312.db2.gz UIVSPFZPICNYOP-UHFFFAOYSA-N 0 0 199.662 2.964 10 0 AFAERN Cc1ccc(F)c2scnc12 44712723 343268341 /nfs/dbraw/zinc/26/83/41/343268341.db2.gz HUIOUKHDYJWMQP-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN Clc1cnc2c(Cl)c[nH]c2c1 44712906 343268358 /nfs/dbraw/zinc/26/83/58/343268358.db2.gz MYEHHYMJOLYOEC-UHFFFAOYSA-N 0 0 187.029 2.870 10 0 AFAERN COc1cc(C)c2ncsc2c1 44712835 343268414 /nfs/dbraw/zinc/26/84/14/343268414.db2.gz AWMDVGVHBRAINU-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 in-vitro AFAERN Cc1cc(F)cc2scnc12 44713337 343268598 /nfs/dbraw/zinc/26/85/98/343268598.db2.gz VVMZVUNOMIARPO-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN Cc1cc(C)c2[nH]ccc2c1F 44713418 343268837 /nfs/dbraw/zinc/26/88/37/343268837.db2.gz DIPXPUYTDGUVAY-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 in-vitro AFAERN Cc1ccc(Cl)c2[nH]cc(C=O)c12 44713422 343268858 /nfs/dbraw/zinc/26/88/58/343268858.db2.gz GRYKGTROXSJUGM-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 in-vitro AFAERN Clc1c[nH]c2c(Cl)ccnc12 44713392 343268889 /nfs/dbraw/zinc/26/88/89/343268889.db2.gz UXILIFJXRDQZEF-UHFFFAOYSA-N 0 0 187.029 2.870 10 0 AFAERN Cc1ccc2nc(Cl)sc2c1N 45236705 343271569 /nfs/dbraw/zinc/27/15/69/343271569.db2.gz NHWQRGSTSZHIDH-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN CC[C@@H](O)c1nc2ccccc2s1 45237068 343271641 /nfs/dbraw/zinc/27/16/41/343271641.db2.gz VCCWOBVVQHFRGS-MRVPVSSYSA-N 0 0 193.271 2.740 10 0 AFAERN Cc1nc2cc(F)c(F)cc2s1 45236700 343271710 /nfs/dbraw/zinc/27/17/10/343271710.db2.gz HCJFVOKQRLZRIJ-UHFFFAOYSA-N 0 0 185.198 2.883 10 0 AFAERN CCc1nc2ccc(F)cc2s1 45236703 343271712 /nfs/dbraw/zinc/27/17/12/343271712.db2.gz XHLAXHWHBRKZRM-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CCc1nc2cccc(OC)c2s1 45236744 343271716 /nfs/dbraw/zinc/27/17/16/343271716.db2.gz AMXHBFCYIDWTEE-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN Cc1cc2ncsc2cc1F 45236319 343271775 /nfs/dbraw/zinc/27/17/75/343271775.db2.gz ANHNCZJUUKGFBH-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN Cc1cccc2nc3ccccn3c12 45238380 343272027 /nfs/dbraw/zinc/27/20/27/343272027.db2.gz QHUVTICLUMPEAX-UHFFFAOYSA-N 0 0 182.226 2.796 10 0 AFAERN CCc1[nH]c2c(O)cccc2c1C 45814717 343272390 /nfs/dbraw/zinc/27/23/90/343272390.db2.gz FMDBWVJMYJIEDT-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN CCc1nc2ccccc2[nH]c1=S 45814625 343272395 /nfs/dbraw/zinc/27/23/95/343272395.db2.gz BUNKFDQPEVOEKX-UHFFFAOYSA-N 0 0 190.271 2.855 10 0 AFAERN Cc1nc2c(nc1C)[C@H](C)C[C@H]2C 45814399 343272415 /nfs/dbraw/zinc/27/24/15/343272415.db2.gz MXNQURSDDQRSMD-RNFRBKRXSA-N 0 0 176.263 2.704 10 0 AFAERN Cc1ncc(C2CCCC2)nc1C 45814402 343272437 /nfs/dbraw/zinc/27/24/37/343272437.db2.gz BCBARLDIFLECEW-UHFFFAOYSA-N 0 0 176.263 2.751 10 0 AFAERN CCC(CC)(CC)c1cnccn1 45814442 343272472 /nfs/dbraw/zinc/27/24/72/343272472.db2.gz GHSZLGMVMIEXGW-UHFFFAOYSA-N 0 0 178.279 2.944 10 0 AFAERN Cc1nc2c(nc1C)[C@@H](C)C[C@@H]2C 45814396 343272485 /nfs/dbraw/zinc/27/24/85/343272485.db2.gz MXNQURSDDQRSMD-BQBZGAKWSA-N 0 0 176.263 2.704 10 0 AFAERN Cc1ccc2c(c1C)C(=O)N=N2 45821376 343272951 /nfs/dbraw/zinc/27/29/51/343272951.db2.gz FKCHZHJVPBTQJE-UHFFFAOYSA-N 0 0 160.176 2.541 10 0 AFAERN Cc1cc(-c2ccncc2)cc(C)n1 47212788 343273273 /nfs/dbraw/zinc/27/32/73/343273273.db2.gz NBOYKYKOJICEIQ-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CCC(=O)c1cc(C)n2ccccc12 48533117 343274590 /nfs/dbraw/zinc/27/45/90/343274590.db2.gz OMOWSKUUARCCNZ-UHFFFAOYSA-N 0 0 187.242 2.840 10 0 AFAERN Cc1ccc(N)c(C)c1OCC(C)C 50122995 343278643 /nfs/dbraw/zinc/27/86/43/343278643.db2.gz PYIYPGFUPWBCBN-UHFFFAOYSA-N 0 0 193.290 2.920 10 0 AFAERN CCC(=O)CSCc1ccccc1 50182002 343279485 /nfs/dbraw/zinc/27/94/85/343279485.db2.gz KJQGMCNQEJFHFM-UHFFFAOYSA-N 0 0 194.299 2.899 10 0 AFAERN CCCC(=O)COCc1ccccc1 50185553 343279487 /nfs/dbraw/zinc/27/94/87/343279487.db2.gz BNCSMQRVXKQRKE-UHFFFAOYSA-N 0 0 192.258 2.572 10 0 AFAERN Oc1ccc(NCC2CCCC2)cc1 50271857 343280390 /nfs/dbraw/zinc/28/03/90/343280390.db2.gz GKTCZCBNEQOECR-UHFFFAOYSA-N 0 0 191.274 2.994 10 0 AFAERN CCc1ccc(-c2coc(N)n2)s1 50266331 343280439 /nfs/dbraw/zinc/28/04/39/343280439.db2.gz ABPLPOLRZCLKLB-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CC[C@H](C)c1nc(C)sc1N 50308160 343280982 /nfs/dbraw/zinc/28/09/82/343280982.db2.gz FWMKXEAJOGSUBZ-YFKPBYRVSA-N 0 0 170.281 2.547 10 0 AFAERN Cc1ccc(-c2ncsc2N)cc1 50307955 343281006 /nfs/dbraw/zinc/28/10/06/343281006.db2.gz LCZZRLXLPDJEDF-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(C)c1nc(C(C)C)c(N)s1 50308961 343281278 /nfs/dbraw/zinc/28/12/78/343281278.db2.gz OOTRWNZFSZPQEV-UHFFFAOYSA-N 0 0 184.308 2.972 10 0 AFAERN CCc1nc(C(C)(C)C)sc1N 50309314 343281283 /nfs/dbraw/zinc/28/12/83/343281283.db2.gz CFNICDTUPQQQJI-UHFFFAOYSA-N 0 0 184.308 2.585 10 0 AFAERN CC(C)(C)c1nc(C2CC2)c(N)s1 50309328 343281303 /nfs/dbraw/zinc/28/13/03/343281303.db2.gz WISHWUVPKXBCKE-UHFFFAOYSA-N 0 0 196.319 2.900 10 0 AFAERN CC(C)c1nc(C2CC2)c(N)s1 50308974 343281518 /nfs/dbraw/zinc/28/15/18/343281518.db2.gz FVYPTELELLYDOH-UHFFFAOYSA-N 0 0 182.292 2.726 10 0 AFAERN CCc1nc(C(C)(C)C)c(N)s1 50308273 343281526 /nfs/dbraw/zinc/28/15/26/343281526.db2.gz SQWUTXWSBSQUJO-UHFFFAOYSA-N 0 0 184.308 2.585 10 0 AFAERN CC[C@H](C)[C@H](O)C1=CCCCC1 50328936 343281693 /nfs/dbraw/zinc/28/16/93/343281693.db2.gz BFXXCHHDTDUBGJ-ONGXEEELSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H](C)[C@@H](O)C1=CCCCC1 50328938 343281698 /nfs/dbraw/zinc/28/16/98/343281698.db2.gz BFXXCHHDTDUBGJ-GXSJLCMTSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1ccoc1[C@@H](O)C1=CCCC1 50329189 343281718 /nfs/dbraw/zinc/28/17/18/343281718.db2.gz PFOKTNWCNIEAQQ-JTQLQIEISA-N 0 0 178.231 2.732 10 0 AFAERN CC(C)[C@@H](O)C1=CCCCCC1 50329359 343281720 /nfs/dbraw/zinc/28/17/20/343281720.db2.gz JTGFXRNFPPAGBL-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN O[C@H](C1=CCCCCC1)C1CC1 50329403 343281728 /nfs/dbraw/zinc/28/17/28/343281728.db2.gz UKKDRAHSBJBNEZ-LLVKDONJSA-N 0 0 166.264 2.648 10 0 AFAERN O[C@@H](C1=CCCCCC1)C1CC1 50329402 343281739 /nfs/dbraw/zinc/28/17/39/343281739.db2.gz UKKDRAHSBJBNEZ-NSHDSACASA-N 0 0 166.264 2.648 10 0 AFAERN Cc1nc2c(s1)C(=O)CC(C)(C)C2 50330963 343281757 /nfs/dbraw/zinc/28/17/57/343281757.db2.gz ORHYJWXSILMVFB-UHFFFAOYSA-N 0 0 195.287 2.607 10 0 AFAERN CC[C@@H](O)C1=CCCCCC1 50329369 343281761 /nfs/dbraw/zinc/28/17/61/343281761.db2.gz IITRJMJFNGYCDS-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](C)[C@H](O)C1=CCCC1 50329251 343281780 /nfs/dbraw/zinc/28/17/80/343281780.db2.gz SHJXVKZRLTUYKB-WPRPVWTQSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@H](O)C1=CCCCCC1 50329358 343281841 /nfs/dbraw/zinc/28/18/41/343281841.db2.gz JTGFXRNFPPAGBL-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)C1=CCCCCC1 50329624 343281852 /nfs/dbraw/zinc/28/18/52/343281852.db2.gz YLBIGJYJACQQPB-ADEWGFFLSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@H](C)C[C@@H]1CCC[C@@H]1O 50428095 343282555 /nfs/dbraw/zinc/28/25/55/343282555.db2.gz QJXIKCPFRSCCEF-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)C[C@H]1CCCC1=O 50425991 343282662 /nfs/dbraw/zinc/28/26/62/343282662.db2.gz UBBAITOSCOBMMJ-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](C)C[C@@H]1CCCC1=O 50425988 343282795 /nfs/dbraw/zinc/28/27/95/343282795.db2.gz UBBAITOSCOBMMJ-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN O[C@@H]1CCCCCC[C@H]1OC1CCC1 50521320 343283432 /nfs/dbraw/zinc/28/34/32/343283432.db2.gz HXSCSPYIZBIMPV-VXGBXAGGSA-N 0 0 198.306 2.639 10 0 AFAERN O[C@H]1CCCCCC[C@H]1OC1CCC1 50521322 343283447 /nfs/dbraw/zinc/28/34/47/343283447.db2.gz HXSCSPYIZBIMPV-NWDGAFQWSA-N 0 0 198.306 2.639 10 0 AFAERN C[C@H](OC1CCC1)c1cccc(N)c1 50519199 343283455 /nfs/dbraw/zinc/28/34/55/343283455.db2.gz IHRBVCHBFQVEFN-VIFPVBQESA-N 0 0 191.274 2.899 10 0 AFAERN O[C@@H]1CCCCCC[C@@H]1OC1CCC1 50521319 343283545 /nfs/dbraw/zinc/28/35/45/343283545.db2.gz HXSCSPYIZBIMPV-NEPJUHHUSA-N 0 0 198.306 2.639 10 0 AFAERN Cc1cc(C=O)ccc1N(C)C(C)C 50544766 343284282 /nfs/dbraw/zinc/28/42/82/343284282.db2.gz GLQVCLOJYOJVTA-UHFFFAOYSA-N 0 0 191.274 2.652 10 0 AFAERN CC(=O)[C@@H](C)Cc1ccc(F)cc1F 50885157 343286541 /nfs/dbraw/zinc/28/65/41/343286541.db2.gz ZSKHQUQWBZNODM-ZETCQYMHSA-N 0 0 198.212 2.732 10 0 AFAERN CCc1cc(N)c2cccc(F)c2n1 50869675 343286606 /nfs/dbraw/zinc/28/66/06/343286606.db2.gz VCIZPGJWDVWSPC-UHFFFAOYSA-N 0 0 190.221 2.519 10 0 AFAERN Cc1cc(F)c2nc(C)cc(N)c2c1 50870318 343286723 /nfs/dbraw/zinc/28/67/23/343286723.db2.gz VPVAJUKILMLMAX-UHFFFAOYSA-N 0 0 190.221 2.573 10 0 AFAERN CC(=O)[C@H](C)Cc1ccc(F)cc1F 50885158 343286741 /nfs/dbraw/zinc/28/67/41/343286741.db2.gz ZSKHQUQWBZNODM-SSDOTTSWSA-N 0 0 198.212 2.732 10 0 AFAERN CC(C)C(=O)Cc1ccc(F)cc1F 50885665 343286790 /nfs/dbraw/zinc/28/67/90/343286790.db2.gz BVWRLIPHAURUNY-UHFFFAOYSA-N 0 0 198.212 2.732 10 0 AFAERN Cc1cccnc1N[C@H](C)C1CC1 51040922 343288121 /nfs/dbraw/zinc/28/81/21/343288121.db2.gz NHFONOKUPFRMNU-SECBINFHSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccnc1N[C@@H](C)C(C)C 51040892 343288164 /nfs/dbraw/zinc/28/81/64/343288164.db2.gz CPBFZKFJHAHSIN-JTQLQIEISA-N 0 0 178.279 2.846 10 0 AFAERN Cc1cccnc1N[C@@H](C)C1CC1 51040921 343288238 /nfs/dbraw/zinc/28/82/38/343288238.db2.gz NHFONOKUPFRMNU-VIFPVBQESA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@H](C)Nc1ncccc1C 51040835 343288276 /nfs/dbraw/zinc/28/82/76/343288276.db2.gz QWQRQSSANUHIMO-VIFPVBQESA-N 0 0 164.252 2.600 10 0 AFAERN Cc1cccnc1N[C@H](C)C(C)C 51040893 343288411 /nfs/dbraw/zinc/28/84/11/343288411.db2.gz CPBFZKFJHAHSIN-SNVBAGLBSA-N 0 0 178.279 2.846 10 0 AFAERN CC[C@H](C)c1nc(N)cc(C(C)C)n1 51690800 343291607 /nfs/dbraw/zinc/29/16/07/343291607.db2.gz VFIFOKVSOZNEOC-QMMMGPOBSA-N 0 0 193.294 2.696 10 0 AFAERN CCc1cc(NC)nc([C@H](C)CC)n1 51690740 343291644 /nfs/dbraw/zinc/29/16/44/343291644.db2.gz RSJLLOBDGQAQQM-MRVPVSSYSA-N 0 0 193.294 2.594 10 0 AFAERN CCC(CC)c1noc(Cl)n1 51690510 343291766 /nfs/dbraw/zinc/29/17/66/343291766.db2.gz NVQAMEYLZMPNFF-UHFFFAOYSA-N 0 0 174.631 2.627 10 0 AFAERN CCc1cc(NC)nc([C@@H](C)CC)n1 51690739 343291881 /nfs/dbraw/zinc/29/18/81/343291881.db2.gz RSJLLOBDGQAQQM-QMMMGPOBSA-N 0 0 193.294 2.594 10 0 AFAERN CCc1ccc(-c2noc(Cl)n2)o1 51722564 343292158 /nfs/dbraw/zinc/29/21/58/343292158.db2.gz AWRRYBYCYMKORE-UHFFFAOYSA-N 0 0 198.609 2.545 10 0 AFAERN CCc1ccc(C(=O)[C@@H]2C[C@H]2C)o1 51726203 343292214 /nfs/dbraw/zinc/29/22/14/343292214.db2.gz HXFSATPSBPDGIN-VXNVDRBHSA-N 0 0 178.231 2.681 10 0 AFAERN CCc1ccc([C@@H]2C[C@H]2C(C)=O)o1 51722160 343292305 /nfs/dbraw/zinc/29/23/05/343292305.db2.gz YOIRYYFEYNBBSH-VHSXEESVSA-N 0 0 178.231 2.535 10 0 AFAERN CCc1ccc([C@@H]2C[C@@H]2C(C)=O)o1 51722155 343292309 /nfs/dbraw/zinc/29/23/09/343292309.db2.gz YOIRYYFEYNBBSH-NXEZZACHSA-N 0 0 178.231 2.535 10 0 AFAERN CCc1ccc(C(=O)[C@@H]2C[C@@H]2C)o1 51726200 343292339 /nfs/dbraw/zinc/29/23/39/343292339.db2.gz HXFSATPSBPDGIN-IONNQARKSA-N 0 0 178.231 2.681 10 0 AFAERN Cc1cccc(C)c1NCC(F)F 51753691 343292789 /nfs/dbraw/zinc/29/27/89/343292789.db2.gz GGMBHYPQTDSKTD-UHFFFAOYSA-N 0 0 185.217 2.980 10 0 AFAERN Cc1cccc(NCc2ccc[nH]2)c1 51787839 343293648 /nfs/dbraw/zinc/29/36/48/343293648.db2.gz DNXJURMTIAIKTM-UHFFFAOYSA-N 0 0 186.258 2.935 10 0 AFAERN CC(C)[C@@H](C)Nc1ccnc(Cl)n1 51849160 343294599 /nfs/dbraw/zinc/29/45/99/343294599.db2.gz DRKKVXZMKIAMFG-SSDOTTSWSA-N 0 0 199.685 2.586 10 0 AFAERN CCc1cc(Cl)cc(CC)n1 51951667 343296435 /nfs/dbraw/zinc/29/64/35/343296435.db2.gz UABWELNTNBUHCJ-UHFFFAOYSA-N 0 0 169.655 2.860 10 0 AFAERN Cc1ccc(C)n1[C@H]1CCCC[C@@H]1O 52008833 343297105 /nfs/dbraw/zinc/29/71/05/343297105.db2.gz PFGULKTZMDTRIV-RYUDHWBXSA-N 0 0 193.290 2.581 10 0 AFAERN Cc1ccc(C)n1[C@H]1CCCC[C@H]1O 52008839 343297243 /nfs/dbraw/zinc/29/72/43/343297243.db2.gz PFGULKTZMDTRIV-NWDGAFQWSA-N 0 0 193.290 2.581 10 0 AFAERN Cc1ccc(C)n1[C@@H]1CCCC[C@@H]1O 52008830 343297291 /nfs/dbraw/zinc/29/72/91/343297291.db2.gz PFGULKTZMDTRIV-NEPJUHHUSA-N 0 0 193.290 2.581 10 0 AFAERN Cc1cc(C(C)(C)C)cc(N)c1O 52064486 343299636 /nfs/dbraw/zinc/29/96/36/343299636.db2.gz OUROFCWPNNYRFJ-UHFFFAOYSA-N 0 0 179.263 2.580 10 0 AFAERN CCc1cc(N)c(O)c(C(C)(C)C)c1 52064484 343299707 /nfs/dbraw/zinc/29/97/07/343299707.db2.gz XZCRCZHAJMOKBW-UHFFFAOYSA-N 0 0 193.290 2.834 10 0 AFAERN CC(C)[C@H](C)Nc1cc(F)ccc1N 52119405 343300268 /nfs/dbraw/zinc/30/02/68/343300268.db2.gz ONYYVTBNRNDIJB-QMMMGPOBSA-N 0 0 196.269 2.864 10 0 AFAERN CCn1c(=S)[nH]c2ccc(F)cc21 52122419 343300312 /nfs/dbraw/zinc/30/03/12/343300312.db2.gz ZXTKHLWOJSVQAG-UHFFFAOYSA-N 0 0 196.250 2.858 10 0 AFAERN CC[C@H](C)Nc1cc(F)ccc1N 52119040 343300394 /nfs/dbraw/zinc/30/03/94/343300394.db2.gz IOZHCICTDCKAHX-ZETCQYMHSA-N 0 0 182.242 2.618 10 0 AFAERN CC(C)[C@@H](C)Nc1cc(F)ccc1N 52119402 343300407 /nfs/dbraw/zinc/30/04/07/343300407.db2.gz ONYYVTBNRNDIJB-MRVPVSSYSA-N 0 0 196.269 2.864 10 0 AFAERN C[C@H](Nc1cc(F)ccc1N)C1CC1 52120288 343300441 /nfs/dbraw/zinc/30/04/41/343300441.db2.gz LAINYATYNMWGTE-ZETCQYMHSA-N 0 0 194.253 2.618 10 0 AFAERN Cc1ccc(F)cc1[C@@H](O)C(C)C 52138543 343301366 /nfs/dbraw/zinc/30/13/66/343301366.db2.gz FLGRSRIRHTVCDE-NSHDSACASA-N 0 0 182.238 2.824 10 0 AFAERN Cc1cccc(CC(=O)[C@@H]2C[C@H]2C)c1 52136309 343301395 /nfs/dbraw/zinc/30/13/95/343301395.db2.gz AQTQEKXRPOFJGJ-ZYHUDNBSSA-N 0 0 188.270 2.763 10 0 AFAERN Cc1ccc(F)cc1-c1ncc[nH]1 52139879 343301436 /nfs/dbraw/zinc/30/14/36/343301436.db2.gz OIGVVFZTJKAKAZ-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN Cc1cccc(CC(=O)[C@H]2C[C@@H]2C)c1 52136306 343301453 /nfs/dbraw/zinc/30/14/53/343301453.db2.gz AQTQEKXRPOFJGJ-JQWIXIFHSA-N 0 0 188.270 2.763 10 0 AFAERN Cc1cccc(CC(=O)[C@H]2C[C@H]2C)c1 52136312 343301469 /nfs/dbraw/zinc/30/14/69/343301469.db2.gz AQTQEKXRPOFJGJ-PWSUYJOCSA-N 0 0 188.270 2.763 10 0 AFAERN Cc1ccc(F)cc1[C@H](O)C(C)C 52138540 343301493 /nfs/dbraw/zinc/30/14/93/343301493.db2.gz FLGRSRIRHTVCDE-LLVKDONJSA-N 0 0 182.238 2.824 10 0 AFAERN CCc1ccccc1[C@@H]1C[C@H]1C(C)=O 52200892 343301676 /nfs/dbraw/zinc/30/16/76/343301676.db2.gz HKWBVPQEKURFSX-STQMWFEESA-N 0 0 188.270 2.942 10 0 AFAERN CCc1ccccc1[C@H]1C[C@H]1C(C)=O 52200895 343301748 /nfs/dbraw/zinc/30/17/48/343301748.db2.gz HKWBVPQEKURFSX-QWHCGFSZSA-N 0 0 188.270 2.942 10 0 AFAERN CCc1ccccc1[C@H]1C[C@@H]1C(C)=O 52200889 343301792 /nfs/dbraw/zinc/30/17/92/343301792.db2.gz HKWBVPQEKURFSX-CHWSQXEVSA-N 0 0 188.270 2.942 10 0 AFAERN CCc1ccccc1[C@@H]1C[C@@H]1C(C)=O 52200887 343301918 /nfs/dbraw/zinc/30/19/18/343301918.db2.gz HKWBVPQEKURFSX-OLZOCXBDSA-N 0 0 188.270 2.942 10 0 AFAERN Cc1cc(NC2CCC2)ccc1N 52207567 343302062 /nfs/dbraw/zinc/30/20/62/343302062.db2.gz XGBWJSTZSCQSAQ-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CC(C)c1n[nH]c(=S)n1C1CCC1 52211831 343302171 /nfs/dbraw/zinc/30/21/71/343302171.db2.gz GDOZGXNHDWIQRJ-UHFFFAOYSA-N 0 0 197.307 2.789 10 0 AFAERN Cc1ccc(C)n1C1CCC1 52213486 343302225 /nfs/dbraw/zinc/30/22/25/343302225.db2.gz NFNFNQZTRDVBCS-UHFFFAOYSA-N 0 0 149.237 2.830 10 0 AFAERN Cc1cc(C=O)c(C)n1C1CCC1 52210720 343302305 /nfs/dbraw/zinc/30/23/05/343302305.db2.gz VMSHUZUPEKPXHW-UHFFFAOYSA-N 0 0 177.247 2.642 10 0 AFAERN Cc1cc(N)ccc1NC1CCC1 52207496 343302402 /nfs/dbraw/zinc/30/24/02/343302402.db2.gz DPSUHKGYXCCMOR-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CC[C@H](C(=O)OC)c1cccc(C)c1 52248293 343302655 /nfs/dbraw/zinc/30/26/55/343302655.db2.gz OEFBGBDMMOXJBT-NSHDSACASA-N 0 0 192.258 2.662 10 0 AFAERN O=C1CCCc2c1ccn2C1CCC1 52213899 343302694 /nfs/dbraw/zinc/30/26/94/343302694.db2.gz DPIPNPDDXLOPGK-UHFFFAOYSA-N 0 0 189.258 2.732 10 0 AFAERN CC[C@H](C(=O)OC)c1ccccc1C 52233120 343302739 /nfs/dbraw/zinc/30/27/39/343302739.db2.gz CJLCCSZODFOLKT-JTQLQIEISA-N 0 0 192.258 2.662 10 0 AFAERN C[C@H]1C[C@H]1Nc1ccc(N)cc1Cl 52273413 343303457 /nfs/dbraw/zinc/30/34/57/343303457.db2.gz HLNFIRSSMXTDIR-QUBYGPBYSA-N 0 0 196.681 2.743 10 0 AFAERN C[C@H]1C[C@@H]1Nc1nc2ccccc2o1 52290495 343304549 /nfs/dbraw/zinc/30/45/49/343304549.db2.gz SXJVEJGFLZYILV-CBAPKCEASA-N 0 0 188.230 2.648 10 0 AFAERN C[C@H]1C[C@H]1Nc1ccc(Cl)cn1 52291518 343304618 /nfs/dbraw/zinc/30/46/18/343304618.db2.gz BWQZDYJDYZERGY-POYBYMJQSA-N 0 0 182.654 2.555 10 0 AFAERN C[C@H]1C[C@H]1Nc1nc2ccccc2o1 52290500 343304669 /nfs/dbraw/zinc/30/46/69/343304669.db2.gz SXJVEJGFLZYILV-IONNQARKSA-N 0 0 188.230 2.648 10 0 AFAERN C[C@H]1C[C@@H]1Nc1ccc(Cl)cn1 52291512 343304676 /nfs/dbraw/zinc/30/46/76/343304676.db2.gz BWQZDYJDYZERGY-XPUUQOCRSA-N 0 0 182.654 2.555 10 0 AFAERN CC(C)c1n[nH]c(=S)n1[C@@H]1C[C@H]1C 52292896 343304843 /nfs/dbraw/zinc/30/48/43/343304843.db2.gz GZZWVWZMRPAXBC-RNFRBKRXSA-N 0 0 197.307 2.645 10 0 AFAERN C[C@H]1C[C@H]1Nc1ncccc1Cl 52291633 343304853 /nfs/dbraw/zinc/30/48/53/343304853.db2.gz GTJQOUDHSRAOIZ-POYBYMJQSA-N 0 0 182.654 2.555 10 0 AFAERN CC(C)c1n[nH]c(=S)n1[C@H]1C[C@@H]1C 52292893 343304865 /nfs/dbraw/zinc/30/48/65/343304865.db2.gz GZZWVWZMRPAXBC-BQBZGAKWSA-N 0 0 197.307 2.645 10 0 AFAERN C[C@H]1C[C@@H]1Nc1ncccc1Cl 52291629 343304937 /nfs/dbraw/zinc/30/49/37/343304937.db2.gz GTJQOUDHSRAOIZ-XPUUQOCRSA-N 0 0 182.654 2.555 10 0 AFAERN CC(C)c1n[nH]c(=S)n1[C@@H]1C[C@@H]1C 52292899 343305020 /nfs/dbraw/zinc/30/50/20/343305020.db2.gz GZZWVWZMRPAXBC-NKWVEPMBSA-N 0 0 197.307 2.645 10 0 AFAERN CC(C)c1n[nH]c(=S)n1[C@H]1C[C@H]1C 52292891 343305038 /nfs/dbraw/zinc/30/50/38/343305038.db2.gz GZZWVWZMRPAXBC-RQJHMYQMSA-N 0 0 197.307 2.645 10 0 AFAERN Cc1ccc(C)n1[C@H]1C[C@@H]1C 52297844 343305181 /nfs/dbraw/zinc/30/51/81/343305181.db2.gz RFEVZGPZHOUBHS-XVKPBYJWSA-N 0 0 149.237 2.686 10 0 AFAERN Cc1ccc(C)n1[C@H]1C[C@H]1C 52297850 343305383 /nfs/dbraw/zinc/30/53/83/343305383.db2.gz RFEVZGPZHOUBHS-XCBNKYQSSA-N 0 0 149.237 2.686 10 0 AFAERN Cc1ccc(C)n1[C@@H]1C[C@@H]1C 52297841 343305405 /nfs/dbraw/zinc/30/54/05/343305405.db2.gz RFEVZGPZHOUBHS-OIBJUYFYSA-N 0 0 149.237 2.686 10 0 AFAERN CCCn1[nH]c(C(C)C)cc1=S 52305684 343305570 /nfs/dbraw/zinc/30/55/70/343305570.db2.gz GIDHCHLRMGTPPU-UHFFFAOYSA-N 0 0 184.308 2.705 10 0 AFAERN CCc1cc(=S)n(C2CCCC2)[nH]1 52305527 343305693 /nfs/dbraw/zinc/30/56/93/343305693.db2.gz LXQBUFVPMADSTN-UHFFFAOYSA-N 0 0 196.319 2.849 10 0 AFAERN CCc1cc(=S)n([C@H](C)CC)[nH]1 52305500 343305700 /nfs/dbraw/zinc/30/57/00/343305700.db2.gz BABMKHBCGARBPF-SSDOTTSWSA-N 0 0 184.308 2.705 10 0 AFAERN CC(C)c1cc(=S)n(C(C)C)[nH]1 52305595 343305712 /nfs/dbraw/zinc/30/57/12/343305712.db2.gz NDWCKKNWKUXDMZ-UHFFFAOYSA-N 0 0 184.308 2.876 10 0 AFAERN CCCc1cc(=S)n(C(C)(C)C)[nH]1 52305153 343305735 /nfs/dbraw/zinc/30/57/35/343305735.db2.gz BCJKHBMPTLWMQW-UHFFFAOYSA-N 0 0 198.335 2.879 10 0 AFAERN CCCn1[nH]c(C(C)(C)C)cc1=S 52305677 343305742 /nfs/dbraw/zinc/30/57/42/343305742.db2.gz IYDIWUWTOOIAQE-UHFFFAOYSA-N 0 0 198.335 2.879 10 0 AFAERN Cc1cc(=S)n(CCC(C)C)[nH]1 52305826 343305782 /nfs/dbraw/zinc/30/57/82/343305782.db2.gz OTLVXDPUFMSYQS-UHFFFAOYSA-N 0 0 184.308 2.526 10 0 AFAERN CCc1cc(=S)n([C@@H](C)CC)[nH]1 52305497 343305792 /nfs/dbraw/zinc/30/57/92/343305792.db2.gz BABMKHBCGARBPF-ZETCQYMHSA-N 0 0 184.308 2.705 10 0 AFAERN Cc1cc(=S)n(C2CCCCC2)[nH]1 52305692 343305805 /nfs/dbraw/zinc/30/58/05/343305805.db2.gz NHPNJVUPIRXYJL-UHFFFAOYSA-N 0 0 196.319 2.985 10 0 AFAERN Cc1cc(=S)n(C2CCCC2)[nH]1 52305516 343305838 /nfs/dbraw/zinc/30/58/38/343305838.db2.gz JPIKHBJWCASCFH-UHFFFAOYSA-N 0 0 182.292 2.595 10 0 AFAERN CC(C)Cn1[nH]c(C(C)C)cc1=S 52305207 343305887 /nfs/dbraw/zinc/30/58/87/343305887.db2.gz HZGZJDLOOPZXSR-UHFFFAOYSA-N 0 0 198.335 2.951 10 0 AFAERN Clc1cc(COC2CCC2)ccn1 52727024 343306912 /nfs/dbraw/zinc/30/69/12/343306912.db2.gz IOJSEMGNNJTGMH-UHFFFAOYSA-N 0 0 197.665 2.804 10 0 AFAERN CSCc1cccnc1Cl 52728746 343307048 /nfs/dbraw/zinc/30/70/48/343307048.db2.gz GEWUVCYFWSUVAY-UHFFFAOYSA-N 0 0 173.668 2.598 10 0 AFAERN Cc1cc(N)cnc1SC(C)(C)C 52813803 343307290 /nfs/dbraw/zinc/30/72/90/343307290.db2.gz DPTJKKYOYMWWPB-UHFFFAOYSA-N 0 0 196.319 2.863 10 0 AFAERN CC[C@H](C)Nc1cc(C)nc(Cl)n1 52814227 343307353 /nfs/dbraw/zinc/30/73/53/343307353.db2.gz AYFFPCZWIMBEME-LURJTMIESA-N 0 0 199.685 2.649 10 0 AFAERN Cc1cc(N)cnc1SCC(C)C 52813808 343307377 /nfs/dbraw/zinc/30/73/77/343307377.db2.gz NEQBTDADXOYAAZ-UHFFFAOYSA-N 0 0 196.319 2.720 10 0 AFAERN Cc1cc(NC(C)(C)C)nc(Cl)n1 52814124 343307463 /nfs/dbraw/zinc/30/74/63/343307463.db2.gz MXGFOIYUAWFLJM-UHFFFAOYSA-N 0 0 199.685 2.649 10 0 AFAERN Cc1c(Cl)cccc1NC#N 52832063 343307681 /nfs/dbraw/zinc/30/76/81/343307681.db2.gz DIYWORHTJWIOSP-UHFFFAOYSA-N 0 0 166.611 2.541 10 0 AFAERN COc1cc(Cl)c(C)cc1NC#N 52832050 343307810 /nfs/dbraw/zinc/30/78/10/343307810.db2.gz WLLLZKBOXWRCCJ-UHFFFAOYSA-N 0 0 196.637 2.550 10 0 AFAERN CC(C)[C@@H](NC#N)c1cccs1 52832809 343308400 /nfs/dbraw/zinc/30/84/00/343308400.db2.gz OYERWFCCUHUZQB-SECBINFHSA-N 0 0 180.276 2.516 10 0 AFAERN CC(C)[C@H](NC#N)c1cccs1 52832807 343308443 /nfs/dbraw/zinc/30/84/43/343308443.db2.gz OYERWFCCUHUZQB-VIFPVBQESA-N 0 0 180.276 2.516 10 0 AFAERN C[C@H](NC#N)c1ccc(Cl)s1 52832693 343308523 /nfs/dbraw/zinc/30/85/23/343308523.db2.gz UAJITIKCTCGCAI-YFKPBYRVSA-N 0 0 186.667 2.533 10 0 AFAERN CC(C)[C@](C)(CO)Nc1ccccc1 52883968 343311322 /nfs/dbraw/zinc/31/13/22/343311322.db2.gz ZPRSBQBLCOPPIM-LBPRGKRZSA-N 0 0 193.290 2.506 10 0 AFAERN O[C@@H](Cc1cccs1)C1CCCC1 52900128 343311489 /nfs/dbraw/zinc/31/14/89/343311489.db2.gz TWOIQKYQBMKVSD-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CC(C)(C)[C@H](O)Cc1cccs1 52900260 343311493 /nfs/dbraw/zinc/31/14/93/343311493.db2.gz DKPGRNGVYCRGIP-SECBINFHSA-N 0 0 184.304 2.698 10 0 AFAERN O[C@H](Cc1cccs1)C1CCCC1 52900129 343311582 /nfs/dbraw/zinc/31/15/82/343311582.db2.gz TWOIQKYQBMKVSD-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN CCC(O)(CC)c1ccccc1F 52887864 343311632 /nfs/dbraw/zinc/31/16/32/343311632.db2.gz SPTWRYNVAOMHAE-UHFFFAOYSA-N 0 0 182.238 2.833 10 0 AFAERN CC(C)(C)[C@@H](O)Cc1cccs1 52900262 343311651 /nfs/dbraw/zinc/31/16/51/343311651.db2.gz DKPGRNGVYCRGIP-VIFPVBQESA-N 0 0 184.304 2.698 10 0 AFAERN CCc1noc(N)c1-c1cccs1 52902189 343311719 /nfs/dbraw/zinc/31/17/19/343311719.db2.gz XOYMCMUVUJZBBF-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CCCOc1ccc2c(c1)C(=O)CC2 52919562 343312180 /nfs/dbraw/zinc/31/21/80/343312180.db2.gz SQPJNHHNGSUHFV-UHFFFAOYSA-N 0 0 190.242 2.604 10 0 AFAERN CCCc1ccc2c(c1)C(=O)CCO2 53331385 343314270 /nfs/dbraw/zinc/31/42/70/343314270.db2.gz RJWSWCRYYXGLPF-UHFFFAOYSA-N 0 0 190.242 2.604 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](C[C@@H]2CCCO2)C1 53336249 343314494 /nfs/dbraw/zinc/31/44/94/343314494.db2.gz GUZBJTDUNGGOCW-VWYCJHECSA-N 0 0 196.290 2.561 10 0 AFAERN CCSCCNc1ccc(F)cc1 53616122 343314523 /nfs/dbraw/zinc/31/45/23/343314523.db2.gz YNWGWXUSKNSBCT-UHFFFAOYSA-N 0 0 199.294 2.991 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](C[C@@H]2CCCO2)C1 53336252 343314530 /nfs/dbraw/zinc/31/45/30/343314530.db2.gz GUZBJTDUNGGOCW-MXWKQRLJSA-N 0 0 196.290 2.561 10 0 AFAERN CCSCCNc1ccccc1F 53616168 343314775 /nfs/dbraw/zinc/31/47/75/343314775.db2.gz ZKGTZTZETRTUEZ-UHFFFAOYSA-N 0 0 199.294 2.991 10 0 AFAERN CCSCCNc1cccc(F)c1 53616317 343314833 /nfs/dbraw/zinc/31/48/33/343314833.db2.gz VTWOELSYLNGPHX-UHFFFAOYSA-N 0 0 199.294 2.991 10 0 AFAERN S=C1N=NC(C2CCCCCC2)O1 53715214 343315096 /nfs/dbraw/zinc/31/50/96/343315096.db2.gz GDZISNOYWTVENU-UHFFFAOYSA-N 0 0 198.291 2.796 10 0 AFAERN Cc1nc(C2CCCCCC2)n[nH]1 53715255 343315098 /nfs/dbraw/zinc/31/50/98/343315098.db2.gz KUTVFGWWOJJOQL-UHFFFAOYSA-N 0 0 179.267 2.551 10 0 AFAERN Cc1ccc(N)cc1N[C@H](C)C1CC1 53734971 343315477 /nfs/dbraw/zinc/31/54/77/343315477.db2.gz BMYUERLZNXPLPN-SECBINFHSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(N)cc1N1CCC[C@@H]1C 53735138 343315528 /nfs/dbraw/zinc/31/55/28/343315528.db2.gz KUROHDMWJPMEEW-JTQLQIEISA-N 0 0 190.290 2.566 10 0 AFAERN CC[C@H](C)Nc1cc(N)ccc1C 53734513 343315598 /nfs/dbraw/zinc/31/55/98/343315598.db2.gz MCNAOIKHJLRTPN-VIFPVBQESA-N 0 0 178.279 2.788 10 0 AFAERN CC[C@@H](C)N(C)c1cc(N)ccc1C 53734871 343315625 /nfs/dbraw/zinc/31/56/25/343315625.db2.gz APWHRIOTVYZDGY-SNVBAGLBSA-N 0 0 192.306 2.812 10 0 AFAERN CCCCNc1cc(N)ccc1C 53734563 343315648 /nfs/dbraw/zinc/31/56/48/343315648.db2.gz WVMAVOVYKWNGAR-UHFFFAOYSA-N 0 0 178.279 2.789 10 0 AFAERN Cc1ccc(N)cc1NC1CCC1 53735628 343315651 /nfs/dbraw/zinc/31/56/51/343315651.db2.gz NXWKKNZVFQJOAO-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN Cc1ccc(N)cc1NC1CCCC1 53734522 343315738 /nfs/dbraw/zinc/31/57/38/343315738.db2.gz CIVMGODAVFPVDO-UHFFFAOYSA-N 0 0 190.290 2.932 10 0 AFAERN Cc1ccc(N)cc1N[C@@H](C)C1CC1 53734970 343315752 /nfs/dbraw/zinc/31/57/52/343315752.db2.gz BMYUERLZNXPLPN-VIFPVBQESA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@H](C)N(C)c1cc(N)ccc1C 53734872 343315785 /nfs/dbraw/zinc/31/57/85/343315785.db2.gz APWHRIOTVYZDGY-JTQLQIEISA-N 0 0 192.306 2.812 10 0 AFAERN CC(C)[C@H](O)CC1CCCCC1 53783970 343316204 /nfs/dbraw/zinc/31/62/04/343316204.db2.gz JTXYKMZJGSGRPW-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)Nc1nc(C2CCCC2)no1 53750495 343316042 /nfs/dbraw/zinc/31/60/42/343316042.db2.gz BJKNUZFMNDYWNZ-UHFFFAOYSA-N 0 0 195.266 2.548 10 0 AFAERN CCC(=O)CC1CCCC1 53765695 343316221 /nfs/dbraw/zinc/31/62/21/343316221.db2.gz VXGQCFNZJMANLK-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN O=C(CC1CCCC1)c1ccncc1 53764086 343316253 /nfs/dbraw/zinc/31/62/53/343316253.db2.gz ZOBYJNBFGNPWJY-UHFFFAOYSA-N 0 0 189.258 2.845 10 0 AFAERN CC[C@@H](O)CC1CCCCC1 53784338 343316261 /nfs/dbraw/zinc/31/62/61/343316261.db2.gz WFEFGMXGMUYMSH-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN O[C@H](CC1CCCC1)c1ccccn1 53782946 343316369 /nfs/dbraw/zinc/31/63/69/343316369.db2.gz XHORNSFDXPSLIZ-GFCCVEGCSA-N 0 0 191.274 2.695 10 0 AFAERN CCCC(=O)CC1CCCC1 53765983 343316391 /nfs/dbraw/zinc/31/63/91/343316391.db2.gz SVGYMVYGZSHQJO-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN O=C(CC1CCCCC1)C1CC1 53766036 343316394 /nfs/dbraw/zinc/31/63/94/343316394.db2.gz BSXZBLIMAWLPNG-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)[C@@H](O)CC1CCCCC1 53783971 343316401 /nfs/dbraw/zinc/31/64/01/343316401.db2.gz JTXYKMZJGSGRPW-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@@H](O)c1cccc(OC)c1 53781268 343316422 /nfs/dbraw/zinc/31/64/22/343316422.db2.gz GYVGGGCDYOKNNU-GFCCVEGCSA-N 0 0 194.274 2.919 10 0 AFAERN CCCC[C@H](O)c1cccc(OC)c1 53781267 343316431 /nfs/dbraw/zinc/31/64/31/343316431.db2.gz GYVGGGCDYOKNNU-LBPRGKRZSA-N 0 0 194.274 2.919 10 0 AFAERN CC(C)C(=O)Cc1cccc(F)c1F 53765182 343316437 /nfs/dbraw/zinc/31/64/37/343316437.db2.gz ZSVVQCHGAMIKIX-UHFFFAOYSA-N 0 0 198.212 2.732 10 0 AFAERN CCC(=O)Cc1ccc(Cl)s1 53765658 343316440 /nfs/dbraw/zinc/31/64/40/343316440.db2.gz AOVYYHGGSHEBBD-UHFFFAOYSA-N 0 0 188.679 2.923 10 0 AFAERN O=C(CC1CCCC1)C1CC1 53766080 343316450 /nfs/dbraw/zinc/31/64/50/343316450.db2.gz NKPSYFMCIPVSCY-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CCC[C@@H](O)CC1CCCC1 53784642 343316523 /nfs/dbraw/zinc/31/65/23/343316523.db2.gz XICZNLHGDGCXLO-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN O[C@@H](CC1CCCCC1)C1CC1 53784691 343316524 /nfs/dbraw/zinc/31/65/24/343316524.db2.gz DZSLZCIQTGRALU-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CCCC[C@@H](O)Cc1cccc(F)c1 53785386 343316533 /nfs/dbraw/zinc/31/65/33/343316533.db2.gz PLUVYOXHWHFPCL-GFCCVEGCSA-N 0 0 196.265 2.919 10 0 AFAERN CCCC[C@@H](O)Cc1ccccc1F 53786055 343316540 /nfs/dbraw/zinc/31/65/40/343316540.db2.gz LMOPRCLIZJULDB-LLVKDONJSA-N 0 0 196.265 2.919 10 0 AFAERN CC(C)(C)[C@H](O)CC1CCCC1 53784871 343316562 /nfs/dbraw/zinc/31/65/62/343316562.db2.gz CHMYBVFCTCQASU-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN O[C@H](CC1CCCCC1)C1CC1 53784692 343316572 /nfs/dbraw/zinc/31/65/72/343316572.db2.gz DZSLZCIQTGRALU-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CCCC[C@H](O)Cc1cccc(F)c1 53785385 343316594 /nfs/dbraw/zinc/31/65/94/343316594.db2.gz PLUVYOXHWHFPCL-LBPRGKRZSA-N 0 0 196.265 2.919 10 0 AFAERN CCCC[C@H](O)Cc1ccccc1F 53786054 343316596 /nfs/dbraw/zinc/31/65/96/343316596.db2.gz LMOPRCLIZJULDB-NSHDSACASA-N 0 0 196.265 2.919 10 0 AFAERN O[C@@H](Cc1ccsc1)C1CCCC1 53785285 343316642 /nfs/dbraw/zinc/31/66/42/343316642.db2.gz NSWDFWKOHMPKMZ-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN O[C@H](Cc1ccsc1)C1CCCC1 53785286 343316645 /nfs/dbraw/zinc/31/66/45/343316645.db2.gz NSWDFWKOHMPKMZ-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@H](O)CC1CCCC1 53784641 343316673 /nfs/dbraw/zinc/31/66/73/343316673.db2.gz XICZNLHGDGCXLO-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN Clc1c[nH]nc1C1CCCC1 54079591 343317299 /nfs/dbraw/zinc/31/72/99/343317299.db2.gz HREHGZHWHJLTKA-UHFFFAOYSA-N 0 0 170.643 2.721 10 0 AFAERN Cc1cnn([C@@H](C)C2CCCC2)c1N 54081616 343317928 /nfs/dbraw/zinc/31/79/28/343317928.db2.gz OJQXPERPGVYWAF-VIFPVBQESA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@@H](Nc1cn[nH]c1)c1ccco1 54084013 343317974 /nfs/dbraw/zinc/31/79/74/343317974.db2.gz OGPREPPOAUMONO-SECBINFHSA-N 0 0 191.234 2.566 10 0 AFAERN C[C@@H](O)c1cnc(C2CCCC2)s1 54160681 343318963 /nfs/dbraw/zinc/31/89/63/343318963.db2.gz WQDWZASWDGUUTC-SSDOTTSWSA-N 0 0 197.303 2.854 10 0 AFAERN Cc1cnc(-c2ccccc2N)s1 54159000 343319074 /nfs/dbraw/zinc/31/90/74/343319074.db2.gz MVJSKJNTHHIWHM-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN OC1([C@@H]2CCCc3ccccc32)CC1 54346447 343321651 /nfs/dbraw/zinc/32/16/51/343321651.db2.gz COCWCQXQGRZRJG-GFCCVEGCSA-N 0 0 188.270 2.631 10 0 AFAERN CC[C@H](c1ccccc1)C1(O)CC1 54346725 343321670 /nfs/dbraw/zinc/32/16/70/343321670.db2.gz SFWYKTMTYRVKTM-LLVKDONJSA-N 0 0 176.259 2.705 10 0 AFAERN Cc1cc(C)c(C2(O)CC2)c(C)c1 54346226 343321716 /nfs/dbraw/zinc/32/17/16/343321716.db2.gz AFXRDQCRKBWLBX-UHFFFAOYSA-N 0 0 176.259 2.593 10 0 AFAERN OC1(C23CC4CC(CC(C4)C2)C3)CC1 54346172 343321738 /nfs/dbraw/zinc/32/17/38/343321738.db2.gz JURFJSIOTXTVFD-UHFFFAOYSA-N 0 0 192.302 2.728 10 0 AFAERN Cc1cc(Cl)c2c(c1)C(=O)[C@H](C)O2 54348729 343321745 /nfs/dbraw/zinc/32/17/45/343321745.db2.gz XIIWFIUPBBQDMI-LURJTMIESA-N 0 0 196.633 2.612 10 0 AFAERN Cc1ccc2oc(C3(O)CC3)cc2c1 54346587 343321777 /nfs/dbraw/zinc/32/17/77/343321777.db2.gz BUTXXNMFPMJKNS-UHFFFAOYSA-N 0 0 188.226 2.723 10 0 AFAERN OC1(c2cc3ccccc3s2)CC1 54346551 343321813 /nfs/dbraw/zinc/32/18/13/343321813.db2.gz OYWIXQGTRKZLDC-UHFFFAOYSA-N 0 0 190.267 2.883 10 0 AFAERN OC1(c2cccc3ccccc23)CC1 54346712 343321815 /nfs/dbraw/zinc/32/18/15/343321815.db2.gz OAPLMTZWZRQFKU-UHFFFAOYSA-N 0 0 184.238 2.821 10 0 AFAERN OC1([C@H]2CCCc3ccccc32)CC1 54346444 343321818 /nfs/dbraw/zinc/32/18/18/343321818.db2.gz COCWCQXQGRZRJG-LBPRGKRZSA-N 0 0 188.270 2.631 10 0 AFAERN OC1(c2ccc3ccccc3c2)CC1 54346732 343321843 /nfs/dbraw/zinc/32/18/43/343321843.db2.gz HQOBLLAUUZGAQR-UHFFFAOYSA-N 0 0 184.238 2.821 10 0 AFAERN OC1(CCC2CCCCC2)CC1 54346210 343321848 /nfs/dbraw/zinc/32/18/48/343321848.db2.gz ZRYDYHOXLGXMCE-UHFFFAOYSA-N 0 0 168.280 2.872 10 0 AFAERN CC[C@@H](c1ccccc1)C1(O)CC1 54346722 343321855 /nfs/dbraw/zinc/32/18/55/343321855.db2.gz SFWYKTMTYRVKTM-NSHDSACASA-N 0 0 176.259 2.705 10 0 AFAERN OC1(c2csc3ccccc23)CC1 54346581 343321864 /nfs/dbraw/zinc/32/18/64/343321864.db2.gz QDWVUBXGKYCILN-UHFFFAOYSA-N 0 0 190.267 2.883 10 0 AFAERN CC(=O)COc1ccc(C)cc1Cl 54351949 343322294 /nfs/dbraw/zinc/32/22/94/343322294.db2.gz QXORTFIGBGTXKE-UHFFFAOYSA-N 0 0 198.649 2.616 10 0 AFAERN CCC(C)(C)c1nc2cccnc2[nH]1 54403683 343322924 /nfs/dbraw/zinc/32/29/24/343322924.db2.gz LPDVBRKYMQARHP-UHFFFAOYSA-N 0 0 189.262 2.646 10 0 AFAERN CCc1c(C(C)(C)CC)noc1N 54403586 343323002 /nfs/dbraw/zinc/32/30/02/343323002.db2.gz DDZOILVZWVVRMV-UHFFFAOYSA-N 0 0 182.267 2.507 10 0 AFAERN CCC(C)(C)c1nnc(C(C)C)[nH]1 54403656 343323170 /nfs/dbraw/zinc/32/31/70/343323170.db2.gz QJPMBYJWHKDDNJ-UHFFFAOYSA-N 0 0 181.283 2.616 10 0 AFAERN CCC(C)(C)[C@H](O)C1=CCCC1 54404176 343323272 /nfs/dbraw/zinc/32/32/72/343323272.db2.gz CNGRQLZAGPVOCG-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN CCC(C)(C)[C@@H](O)C1=CCCC1 54404177 343323422 /nfs/dbraw/zinc/32/34/22/343323422.db2.gz CNGRQLZAGPVOCG-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN CCc1cc(N)nn1C1CCCCC1 54404820 343323491 /nfs/dbraw/zinc/32/34/91/343323491.db2.gz PDPLQYRRVHDHJN-UHFFFAOYSA-N 0 0 193.294 2.533 10 0 AFAERN O[C@@H](Cc1ccsc1)c1ccco1 54446106 343324326 /nfs/dbraw/zinc/32/43/26/343324326.db2.gz MTLNIPZVHSIOJG-VIFPVBQESA-N 0 0 194.255 2.617 10 0 AFAERN O[C@H](Cc1ccsc1)c1ccco1 54446102 343324371 /nfs/dbraw/zinc/32/43/71/343324371.db2.gz MTLNIPZVHSIOJG-SECBINFHSA-N 0 0 194.255 2.617 10 0 AFAERN CC[C@H](C)CNc1nc(C)cc(C)n1 54474271 343324599 /nfs/dbraw/zinc/32/45/99/343324599.db2.gz RXCWTKTYYDFZNZ-QMMMGPOBSA-N 0 0 193.294 2.551 10 0 AFAERN CC[C@H](C)CNc1nccs1 54474570 343324630 /nfs/dbraw/zinc/32/46/30/343324630.db2.gz PLJIPOLSKVEKIF-ZETCQYMHSA-N 0 0 170.281 2.601 10 0 AFAERN CC[C@H](C)CNc1cccc(F)c1N 54466916 343324675 /nfs/dbraw/zinc/32/46/75/343324675.db2.gz YTYBKJSDPDJXJW-QMMMGPOBSA-N 0 0 196.269 2.866 10 0 AFAERN CC[C@H](C)CNc1nc(C)cs1 54474576 343324686 /nfs/dbraw/zinc/32/46/86/343324686.db2.gz BUVSMJZAFZHDFW-ZETCQYMHSA-N 0 0 184.308 2.910 10 0 AFAERN CC[C@H](C)CNc1ccc(Cl)nn1 54474507 343324771 /nfs/dbraw/zinc/32/47/71/343324771.db2.gz SYOHBAXKFNBAGB-ZETCQYMHSA-N 0 0 199.685 2.588 10 0 AFAERN CC[C@H](C)Cn1cc[nH]c1=S 54474816 343324781 /nfs/dbraw/zinc/32/47/81/343324781.db2.gz JDKIUAOLSHOHHP-ZETCQYMHSA-N 0 0 170.281 2.592 10 0 AFAERN CC[C@H](C)CNc1cc(F)ccc1N 54466951 343324822 /nfs/dbraw/zinc/32/48/22/343324822.db2.gz XCHPEFYMCJRJHN-QMMMGPOBSA-N 0 0 196.269 2.866 10 0 AFAERN CC[C@@H](C)Cn1cc[nH]c1=S 54474813 343324829 /nfs/dbraw/zinc/32/48/29/343324829.db2.gz JDKIUAOLSHOHHP-SSDOTTSWSA-N 0 0 170.281 2.592 10 0 AFAERN CC[C@H](C)CNc1cc(C)nc(C)n1 54474483 343324861 /nfs/dbraw/zinc/32/48/61/343324861.db2.gz GJUMOWQKDYTZTJ-QMMMGPOBSA-N 0 0 193.294 2.551 10 0 AFAERN CSC[C@@H](O)c1cc(C)ccc1C 54494708 343324964 /nfs/dbraw/zinc/32/49/64/343324964.db2.gz VCEYTJFAUKTBDR-LLVKDONJSA-N 0 0 196.315 2.700 10 0 AFAERN CSC[C@H](O)c1cc(C)ccc1C 54494710 343325061 /nfs/dbraw/zinc/32/50/61/343325061.db2.gz VCEYTJFAUKTBDR-NSHDSACASA-N 0 0 196.315 2.700 10 0 AFAERN CSC[C@H](O)c1ccc(C)c(C)c1 54494917 343325066 /nfs/dbraw/zinc/32/50/66/343325066.db2.gz ZWSQGVNCDIDQRA-NSHDSACASA-N 0 0 196.315 2.700 10 0 AFAERN CSCC(=O)c1cccc(C)c1C 54494392 343325171 /nfs/dbraw/zinc/32/51/71/343325171.db2.gz DYSLGBSNLGNHEF-UHFFFAOYSA-N 0 0 194.299 2.849 10 0 AFAERN CSCC(=O)c1cc(C)cc(C)c1 54494464 343325196 /nfs/dbraw/zinc/32/51/96/343325196.db2.gz ZMENUWXYOLUABR-UHFFFAOYSA-N 0 0 194.299 2.849 10 0 AFAERN CSC[C@H](O)c1cccc(C)c1C 54494926 343325209 /nfs/dbraw/zinc/32/52/09/343325209.db2.gz YFCDPPGYEMBBLJ-NSHDSACASA-N 0 0 196.315 2.700 10 0 AFAERN CSC[C@@H](O)c1cccc(C)c1C 54494923 343325225 /nfs/dbraw/zinc/32/52/25/343325225.db2.gz YFCDPPGYEMBBLJ-LLVKDONJSA-N 0 0 196.315 2.700 10 0 AFAERN CC[C@H](C)CNc1cncc(Cl)n1 54490399 343325229 /nfs/dbraw/zinc/32/52/29/343325229.db2.gz GXHHIBKENQENDV-ZETCQYMHSA-N 0 0 199.685 2.588 10 0 AFAERN CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1O 54631201 343327077 /nfs/dbraw/zinc/32/70/77/343327077.db2.gz ALGLAZJPSUIAAA-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O 54631205 343327118 /nfs/dbraw/zinc/32/71/18/343327118.db2.gz ALGLAZJPSUIAAA-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN CC(=O)c1cnn(C2CCCCC2)c1 54716087 343327749 /nfs/dbraw/zinc/32/77/49/343327749.db2.gz ZZNNOQRTQQZGCN-UHFFFAOYSA-N 0 0 192.262 2.591 10 0 AFAERN CC(C)[C@@H](C)Nc1ncccc1F 54700552 343327792 /nfs/dbraw/zinc/32/77/92/343327792.db2.gz XUNJAUIYARMDEO-MRVPVSSYSA-N 0 0 182.242 2.677 10 0 AFAERN CC(C)[C@H](C)Nc1ncccc1F 54700553 343327855 /nfs/dbraw/zinc/32/78/55/343327855.db2.gz XUNJAUIYARMDEO-QMMMGPOBSA-N 0 0 182.242 2.677 10 0 AFAERN CC[C@H](C)n1nc(C)c([C@@H](C)O)c1C 54723234 343328211 /nfs/dbraw/zinc/32/82/11/343328211.db2.gz QPXDMXJMDSPAEN-OIBJUYFYSA-N 0 0 196.294 2.524 10 0 AFAERN O[C@@H]1CCCCc2c(F)cc(F)cc21 54743018 343328122 /nfs/dbraw/zinc/32/81/22/343328122.db2.gz YPLBFIJCHVWCMR-LLVKDONJSA-N 0 0 198.212 2.725 10 0 AFAERN CC[C@@H](C)n1nc(C)c([C@H](C)O)c1C 54723235 343328183 /nfs/dbraw/zinc/32/81/83/343328183.db2.gz QPXDMXJMDSPAEN-XCBNKYQSSA-N 0 0 196.294 2.524 10 0 AFAERN O[C@@H]1CCCCc2c(F)ccc(F)c21 54743043 343328214 /nfs/dbraw/zinc/32/82/14/343328214.db2.gz HRWLCIFCQWQPAE-SNVBAGLBSA-N 0 0 198.212 2.725 10 0 AFAERN O=C1CCCCc2c(F)cc(F)cc21 54741765 343328225 /nfs/dbraw/zinc/32/82/25/343328225.db2.gz QAQBTNKSGRUBHK-UHFFFAOYSA-N 0 0 196.196 2.874 10 0 AFAERN CC[C@@H](C)n1nc(C)c([C@@H](C)O)c1C 54723230 343328275 /nfs/dbraw/zinc/32/82/75/343328275.db2.gz QPXDMXJMDSPAEN-GMSGAONNSA-N 0 0 196.294 2.524 10 0 AFAERN Cc1cc(Cl)nnc1C(C)C 54930897 343331035 /nfs/dbraw/zinc/33/10/35/343331035.db2.gz MTLTXGMFIANXAK-UHFFFAOYSA-N 0 0 170.643 2.562 10 0 AFAERN CC[C@@H]1CCc2nnc(Cl)cc2C1 54930930 343331075 /nfs/dbraw/zinc/33/10/75/343331075.db2.gz ZPMOUOWDOBPEKH-SSDOTTSWSA-N 0 0 196.681 2.645 10 0 AFAERN C[C@H]1CCCc2cc(Cl)nnc21 54930933 343331128 /nfs/dbraw/zinc/33/11/28/343331128.db2.gz ZWUCHTRJKMWJGX-LURJTMIESA-N 0 0 182.654 2.570 10 0 AFAERN Clc1cc2c(nn1)CCCCCC2 54930929 343331162 /nfs/dbraw/zinc/33/11/62/343331162.db2.gz NKGWEPKYDIYWOL-UHFFFAOYSA-N 0 0 196.681 2.789 10 0 AFAERN C[C@@H]1CCCc2cc(Cl)nnc21 54930932 343331179 /nfs/dbraw/zinc/33/11/79/343331179.db2.gz ZWUCHTRJKMWJGX-ZCFIWIBFSA-N 0 0 182.654 2.570 10 0 AFAERN CC[C@H](C)c1ccc(Cl)nn1 54930899 343331241 /nfs/dbraw/zinc/33/12/41/343331241.db2.gz STOXAAZNGFYERY-LURJTMIESA-N 0 0 170.643 2.644 10 0 AFAERN CC[C@@H](C)c1ccc(Cl)nn1 54930898 343331252 /nfs/dbraw/zinc/33/12/52/343331252.db2.gz STOXAAZNGFYERY-ZCFIWIBFSA-N 0 0 170.643 2.644 10 0 AFAERN CC[C@H]1CCc2nnc(Cl)cc2C1 54930931 343331269 /nfs/dbraw/zinc/33/12/69/343331269.db2.gz ZPMOUOWDOBPEKH-ZETCQYMHSA-N 0 0 196.681 2.645 10 0 AFAERN Fc1cc(F)c2nc(Cl)oc2c1 54932556 343331976 /nfs/dbraw/zinc/33/19/76/343331976.db2.gz XGLHBIVAALRNIS-UHFFFAOYSA-N 0 0 189.548 2.759 10 0 AFAERN CC[C@@H](Nc1ccnc(C)n1)C(C)C 54936190 343332101 /nfs/dbraw/zinc/33/21/01/343332101.db2.gz RMOZMYKWRZSMEI-SNVBAGLBSA-N 0 0 193.294 2.632 10 0 AFAERN Cc1cc(F)ccc1Cl 59436464 343344679 /nfs/dbraw/zinc/34/46/79/343344679.db2.gz DQWNSADABVKBDW-UHFFFAOYSA-N 0 0 143.568 2.661 10 0 AFAERN CC[C@H](Nc1ccnc(C)n1)C(C)C 54936188 343332339 /nfs/dbraw/zinc/33/23/39/343332339.db2.gz RMOZMYKWRZSMEI-JTQLQIEISA-N 0 0 193.294 2.632 10 0 AFAERN Clc1ccc([C@]2(C3CC3)CO2)cc1 55032463 343333262 /nfs/dbraw/zinc/33/32/62/343333262.db2.gz NWJISDNAMXNTKL-LLVKDONJSA-N 0 0 194.661 2.976 10 0 AFAERN CC[C@@]1(c2cccc(Cl)c2)CO1 55032395 343333272 /nfs/dbraw/zinc/33/32/72/343333272.db2.gz NLSYLNLORUZZTR-JTQLQIEISA-N 0 0 182.650 2.976 10 0 AFAERN CC[C@]1(c2cccc(Cl)c2)CO1 55032394 343333287 /nfs/dbraw/zinc/33/32/87/343333287.db2.gz NLSYLNLORUZZTR-SNVBAGLBSA-N 0 0 182.650 2.976 10 0 AFAERN C[C@]1(c2ccc(F)c(Cl)c2)CO1 55032452 343333290 /nfs/dbraw/zinc/33/32/90/343333290.db2.gz YZBAQEWXEKVJNT-SECBINFHSA-N 0 0 186.613 2.725 10 0 AFAERN Clc1ccc([C@@]2(C3CC3)CO2)cc1 55032465 343333432 /nfs/dbraw/zinc/33/34/32/343333432.db2.gz NWJISDNAMXNTKL-NSHDSACASA-N 0 0 194.661 2.976 10 0 AFAERN CC[C@]1(c2ccc(Cl)cc2)CO1 55032494 343333436 /nfs/dbraw/zinc/33/34/36/343333436.db2.gz IEZVVQJBWLQPQM-SNVBAGLBSA-N 0 0 182.650 2.976 10 0 AFAERN CC(C)[C@@](C)(O)CNc1ccccc1 55031899 343333442 /nfs/dbraw/zinc/33/34/42/343333442.db2.gz NCFWADWADJPALA-LBPRGKRZSA-N 0 0 193.290 2.506 10 0 AFAERN C[C@@]1(c2cccc(Cl)c2)CO1 55032406 343333451 /nfs/dbraw/zinc/33/34/51/343333451.db2.gz UXLHFQKFWDEHNQ-VIFPVBQESA-N 0 0 168.623 2.585 10 0 AFAERN CC[C@@]1(c2ccc(Cl)cc2)CO1 55032495 343333457 /nfs/dbraw/zinc/33/34/57/343333457.db2.gz IEZVVQJBWLQPQM-JTQLQIEISA-N 0 0 182.650 2.976 10 0 AFAERN CC(C)[C@](C)(O)CNc1ccccc1 55031898 343333461 /nfs/dbraw/zinc/33/34/61/343333461.db2.gz NCFWADWADJPALA-GFCCVEGCSA-N 0 0 193.290 2.506 10 0 AFAERN C[C@]1(c2cccc(Cl)c2)CO1 55032403 343333494 /nfs/dbraw/zinc/33/34/94/343333494.db2.gz UXLHFQKFWDEHNQ-SECBINFHSA-N 0 0 168.623 2.585 10 0 AFAERN C[C@@]1(c2ccc(F)c(Cl)c2)CO1 55032453 343333507 /nfs/dbraw/zinc/33/35/07/343333507.db2.gz YZBAQEWXEKVJNT-VIFPVBQESA-N 0 0 186.613 2.725 10 0 AFAERN Cc1ccc(F)c([C@](C)(O)C(C)C)c1 55192035 343334501 /nfs/dbraw/zinc/33/45/01/343334501.db2.gz IJGZAYLGFPKJAP-GFCCVEGCSA-N 0 0 196.265 2.998 10 0 AFAERN Cc1ccc(F)c([C@@](C)(O)C(C)C)c1 55192037 343334595 /nfs/dbraw/zinc/33/45/95/343334595.db2.gz IJGZAYLGFPKJAP-LBPRGKRZSA-N 0 0 196.265 2.998 10 0 AFAERN Cc1ccc(F)cc1C1(O)CCCC1 55190190 343334628 /nfs/dbraw/zinc/33/46/28/343334628.db2.gz GLEQKXYMDSCPOS-UHFFFAOYSA-N 0 0 194.249 2.896 10 0 AFAERN Cc1ccc(F)c(C2(O)CCCC2)c1 55190197 343334666 /nfs/dbraw/zinc/33/46/66/343334666.db2.gz YYPSACZLCXLSBX-UHFFFAOYSA-N 0 0 194.249 2.896 10 0 AFAERN Cc1cc(F)ccc1C1(O)CCCC1 55190193 343334730 /nfs/dbraw/zinc/33/47/30/343334730.db2.gz DMPTXAQETOEOSI-UHFFFAOYSA-N 0 0 194.249 2.896 10 0 AFAERN Cc1ccc(F)cc1[C@H]1CCC[C@H]1O 55230409 343334813 /nfs/dbraw/zinc/33/48/13/343334813.db2.gz WWVFFCISPSNXAU-ZYHUDNBSSA-N 0 0 194.249 2.763 10 0 AFAERN CC[C@H](O)c1cc(C)ccc1F 55202040 343334826 /nfs/dbraw/zinc/33/48/26/343334826.db2.gz BHKBTHCGINZALZ-JTQLQIEISA-N 0 0 168.211 2.578 10 0 AFAERN Cc1ccc(F)cc1[C@H](O)C1CC1 55202189 343334830 /nfs/dbraw/zinc/33/48/30/343334830.db2.gz HLLGFUNNNJFSPE-LLVKDONJSA-N 0 0 180.222 2.578 10 0 AFAERN Cc1cc(F)ccc1[C@H]1CCCC1=O 55230595 343334836 /nfs/dbraw/zinc/33/48/36/343334836.db2.gz KZEOLOKPGMPPEG-LLVKDONJSA-N 0 0 192.233 2.971 10 0 AFAERN Cc1ccc(F)cc1[C@@H](O)C1CC1 55202192 343334839 /nfs/dbraw/zinc/33/48/39/343334839.db2.gz HLLGFUNNNJFSPE-NSHDSACASA-N 0 0 180.222 2.578 10 0 AFAERN Cc1ccc(F)c(C(=O)C2CC2)c1 55199554 343334843 /nfs/dbraw/zinc/33/48/43/343334843.db2.gz DAYYNVDKEXEKKJ-UHFFFAOYSA-N 0 0 178.206 2.727 10 0 AFAERN Cc1ccc(F)cc1C(=O)C1CC1 55199548 343334847 /nfs/dbraw/zinc/33/48/47/343334847.db2.gz GCCPKHVVYPHNHH-UHFFFAOYSA-N 0 0 178.206 2.727 10 0 AFAERN Cc1ccc(F)cc1[C@H]1CCC[C@@H]1O 55230404 343334848 /nfs/dbraw/zinc/33/48/48/343334848.db2.gz WWVFFCISPSNXAU-PWSUYJOCSA-N 0 0 194.249 2.763 10 0 AFAERN O[C@@H]1CCC[C@@H]1c1ccc(F)cc1F 55239304 343335146 /nfs/dbraw/zinc/33/51/46/343335146.db2.gz WSOYHXDLQDLMQR-MWLCHTKSSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CCC[C@@H]1c1cc(F)ccc1F 55243596 343335155 /nfs/dbraw/zinc/33/51/55/343335155.db2.gz FZIXIVSOEQJENR-KCJUWKMLSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@@H]1CCC[C@H]1c1cc(F)ccc1F 55243597 343335190 /nfs/dbraw/zinc/33/51/90/343335190.db2.gz FZIXIVSOEQJENR-GZMMTYOYSA-N 0 0 198.212 2.593 10 0 AFAERN O=C1CCC[C@@H]1c1cc(F)ccc1F 55243609 343335191 /nfs/dbraw/zinc/33/51/91/343335191.db2.gz LNYJMQLUYSPBEF-MRVPVSSYSA-N 0 0 196.196 2.801 10 0 AFAERN O[C@@H]1CCC[C@H]1c1ccc(F)cc1F 55239302 343335193 /nfs/dbraw/zinc/33/51/93/343335193.db2.gz WSOYHXDLQDLMQR-GXSJLCMTSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1csc(CC(=O)C(C)(C)C)n1 55266746 343335195 /nfs/dbraw/zinc/33/51/95/343335195.db2.gz LZQMQQORIRJOPZ-UHFFFAOYSA-N 0 0 197.303 2.609 10 0 AFAERN O[C@H]1CCC[C@@H]1c1ccc(F)cc1F 55239299 343335213 /nfs/dbraw/zinc/33/52/13/343335213.db2.gz WSOYHXDLQDLMQR-KOLCDFICSA-N 0 0 198.212 2.593 10 0 AFAERN OC1(c2ccc(F)cc2F)CCCC1 55238028 343335243 /nfs/dbraw/zinc/33/52/43/343335243.db2.gz ZWTCJJKQDUQORT-UHFFFAOYSA-N 0 0 198.212 2.726 10 0 AFAERN O=C1CCC[C@H]1c1cc(F)ccc1F 55243607 343335271 /nfs/dbraw/zinc/33/52/71/343335271.db2.gz LNYJMQLUYSPBEF-QMMMGPOBSA-N 0 0 196.196 2.801 10 0 AFAERN O[C@H]1CCC[C@H]1c1cc(F)ccc1F 55243594 343335285 /nfs/dbraw/zinc/33/52/85/343335285.db2.gz FZIXIVSOEQJENR-KWQFWETISA-N 0 0 198.212 2.593 10 0 AFAERN O[C@@H]1CCC[C@@H]1c1cc(F)ccc1F 55243600 343335292 /nfs/dbraw/zinc/33/52/92/343335292.db2.gz FZIXIVSOEQJENR-LDYMZIIASA-N 0 0 198.212 2.593 10 0 AFAERN CSC[C@@H](O)c1ccc(C)cc1C 55235831 343335294 /nfs/dbraw/zinc/33/52/94/343335294.db2.gz UGYXPOPAHIFLJB-LLVKDONJSA-N 0 0 196.315 2.700 10 0 AFAERN CSC[C@H](O)c1ccc(C)cc1C 55235835 343335320 /nfs/dbraw/zinc/33/53/20/343335320.db2.gz UGYXPOPAHIFLJB-NSHDSACASA-N 0 0 196.315 2.700 10 0 AFAERN O[C@H]1CCC[C@H]1c1ccc(F)cc1F 55239298 343335343 /nfs/dbraw/zinc/33/53/43/343335343.db2.gz WSOYHXDLQDLMQR-ONGXEEELSA-N 0 0 198.212 2.593 10 0 AFAERN O=C1CCC[C@H]1c1ccc(F)cc1F 55239310 343335348 /nfs/dbraw/zinc/33/53/48/343335348.db2.gz AILKYSZJGNRQJG-VIFPVBQESA-N 0 0 196.196 2.801 10 0 AFAERN O=C1CCC[C@@H]1c1ccc(F)cc1F 55239312 343335383 /nfs/dbraw/zinc/33/53/83/343335383.db2.gz AILKYSZJGNRQJG-SECBINFHSA-N 0 0 196.196 2.801 10 0 AFAERN CC[C@@H]1CNc2cc(C)c(C)cc2N1 57923058 343338026 /nfs/dbraw/zinc/33/80/26/343338026.db2.gz KCXPQGIMMOBELQ-SNVBAGLBSA-N 0 0 190.290 2.919 10 0 AFAERN CC[C@H]1CNc2cc(C)c(C)cc2N1 57923063 343338050 /nfs/dbraw/zinc/33/80/50/343338050.db2.gz KCXPQGIMMOBELQ-JTQLQIEISA-N 0 0 190.290 2.919 10 0 AFAERN C1CCc2sc(NC3CC3)nc2C1 57788322 343338198 /nfs/dbraw/zinc/33/81/98/343338198.db2.gz MHRNWLMGNBTDOI-UHFFFAOYSA-N 0 0 194.303 2.596 10 0 AFAERN Cc1cc2c(cc1C)N[C@H](C)CN2 57923051 343338215 /nfs/dbraw/zinc/33/82/15/343338215.db2.gz WXCZOPWVRGQMKE-SECBINFHSA-N 0 0 176.263 2.529 10 0 AFAERN Cc1cc(C)c(C=O)c(Cl)c1 57935625 343338282 /nfs/dbraw/zinc/33/82/82/343338282.db2.gz VRQBJXIKTQNAKK-UHFFFAOYSA-N 0 0 168.623 2.769 10 0 AFAERN Cc1ccc([C@@H]2CC[C@@H](O)C2)cc1 58518991 343340236 /nfs/dbraw/zinc/34/02/36/343340236.db2.gz JYMWSUGOASCHHN-VXGBXAGGSA-N 0 0 176.259 2.623 10 0 AFAERN CCc1ccc([C@@H]2CC[C@@H](O)C2)cc1 58521308 343340309 /nfs/dbraw/zinc/34/03/09/343340309.db2.gz WVPALRIIXQKAFN-CHWSQXEVSA-N 0 0 190.286 2.877 10 0 AFAERN CCc1ccc([C@H]2CC[C@@H](O)C2)cc1 58521309 343340346 /nfs/dbraw/zinc/34/03/46/343340346.db2.gz WVPALRIIXQKAFN-QWHCGFSZSA-N 0 0 190.286 2.877 10 0 AFAERN CCc1ccc([C@H]2CC[C@H](O)C2)cc1 58521307 343340392 /nfs/dbraw/zinc/34/03/92/343340392.db2.gz WVPALRIIXQKAFN-STQMWFEESA-N 0 0 190.286 2.877 10 0 AFAERN Cc1ccc([C@H]2CC[C@@H](O)C2)cc1 58518993 343340424 /nfs/dbraw/zinc/34/04/24/343340424.db2.gz JYMWSUGOASCHHN-NWDGAFQWSA-N 0 0 176.259 2.623 10 0 AFAERN CCc1ccc([C@@H]2CC[C@H](O)C2)cc1 58521306 343340426 /nfs/dbraw/zinc/34/04/26/343340426.db2.gz WVPALRIIXQKAFN-OLZOCXBDSA-N 0 0 190.286 2.877 10 0 AFAERN Cc1ccc([C@H]2CC[C@H](O)C2)cc1 58518989 343340442 /nfs/dbraw/zinc/34/04/42/343340442.db2.gz JYMWSUGOASCHHN-RYUDHWBXSA-N 0 0 176.259 2.623 10 0 AFAERN Cc1ccc([C@@H]2CC[C@H](O)C2)cc1 58518986 343340451 /nfs/dbraw/zinc/34/04/51/343340451.db2.gz JYMWSUGOASCHHN-NEPJUHHUSA-N 0 0 176.259 2.623 10 0 AFAERN CC(C)Oc1ccc([C@H](C)O)cc1F 58819696 343341056 /nfs/dbraw/zinc/34/10/56/343341056.db2.gz ZQFCBKALWOPHDV-QMMMGPOBSA-N 0 0 198.237 2.666 10 0 AFAERN Cc1cc(C)c2c(C=O)cn(C)c2c1 58823908 343340995 /nfs/dbraw/zinc/34/09/95/343340995.db2.gz VKFRBJZPULCELH-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC(C)Oc1ccc([C@@H](C)O)cc1F 58819694 343341177 /nfs/dbraw/zinc/34/11/77/343341177.db2.gz ZQFCBKALWOPHDV-MRVPVSSYSA-N 0 0 198.237 2.666 10 0 AFAERN Cc1cccc(N[C@@H](C)CCCO)c1 58826865 343341403 /nfs/dbraw/zinc/34/14/03/343341403.db2.gz CZNBQUOPNBRGEB-NSHDSACASA-N 0 0 193.290 2.568 10 0 AFAERN Cc1ccc(N[C@H](C)CCCO)cc1 58826861 343341435 /nfs/dbraw/zinc/34/14/35/343341435.db2.gz ITUFJFXRAFVVRY-LLVKDONJSA-N 0 0 193.290 2.568 10 0 AFAERN Cc1cccc(N[C@H](C)CCCO)c1 58826868 343341450 /nfs/dbraw/zinc/34/14/50/343341450.db2.gz CZNBQUOPNBRGEB-LLVKDONJSA-N 0 0 193.290 2.568 10 0 AFAERN Cc1cc(C)c2c(c1)c(C=O)cn2C 58823910 343341452 /nfs/dbraw/zinc/34/14/52/343341452.db2.gz YQVPUAVEHHLPNA-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN COc1c(C)cc(N)c2ccccc12 59072151 343341902 /nfs/dbraw/zinc/34/19/02/343341902.db2.gz QPYKYPCIEAOEAZ-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN CCc1ccc(Cl)nc1C 59072347 343341922 /nfs/dbraw/zinc/34/19/22/343341922.db2.gz BKPJGIYLOSKNCI-UHFFFAOYSA-N 0 0 155.628 2.606 10 0 AFAERN CCC(=O)CC1(C)CCC1 59144216 343342227 /nfs/dbraw/zinc/34/22/27/343342227.db2.gz WSFPPOHBVOFGMY-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN CC=Cc1cccc(OC)c1C(C)=O 59130327 343342236 /nfs/dbraw/zinc/34/22/36/343342236.db2.gz YZXAKGCGYNZYQY-GQCTYLIASA-N 0 0 190.242 2.931 10 0 AFAERN Cc1cccc(Cl)c1F 59096330 343342323 /nfs/dbraw/zinc/34/23/23/343342323.db2.gz KRGPBDJSPYLDJA-UHFFFAOYSA-N 0 0 143.568 2.661 10 0 AFAERN CC(C)(C)c1ccccc1 59162610 343342429 /nfs/dbraw/zinc/34/24/29/343342429.db2.gz OJANFBBBULLUFF-UHFFFAOYSA-N 0 0 133.214 2.798 10 0 in-vitro AFAERN CC(=O)[C@H]1C[C@H](C)c2ccccc21 59152444 343342508 /nfs/dbraw/zinc/34/25/08/343342508.db2.gz URQNCTFCDYSSEJ-QPUJVOFHSA-N 0 0 174.243 2.866 10 0 AFAERN Cc1ccc(F)c(F)c1C 59144340 343342726 /nfs/dbraw/zinc/34/27/26/343342726.db2.gz AVHOKLRHUYPCFR-UHFFFAOYSA-N 0 0 142.148 2.582 10 0 AFAERN CCCNc1cc(C)cc(F)c1 59162896 343342779 /nfs/dbraw/zinc/34/27/79/343342779.db2.gz QLLBWJFOMDKDBB-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN Cc1ccc(C(F)(F)F)cc1 59145078 343342789 /nfs/dbraw/zinc/34/27/89/343342789.db2.gz LEOKUKZCTGFUSF-UHFFFAOYSA-N 0 0 159.130 2.888 10 0 AFAERN COC(C)(C)C(=O)c1ccc(C)cc1 59209106 343342933 /nfs/dbraw/zinc/34/29/33/343342933.db2.gz AXBTUBSCOQHBLA-UHFFFAOYSA-N 0 0 192.258 2.603 10 0 AFAERN Cc1cn(-c2ccccc2)c(=S)[nH]1 59190676 343342968 /nfs/dbraw/zinc/34/29/68/343342968.db2.gz JBQDPRSJPHJWIE-UHFFFAOYSA-N 0 0 190.271 2.843 10 0 AFAERN C=Cc1cc(C)ccc1OC 59209365 343343106 /nfs/dbraw/zinc/34/31/06/343343106.db2.gz VJPCMEOWPFVQFH-UHFFFAOYSA-N 0 0 148.205 2.647 10 0 AFAERN C/C=C/[C@@H](O)c1ccc(Cl)cc1 59301684 343343693 /nfs/dbraw/zinc/34/36/93/343343693.db2.gz BDINGGMEZOVMQE-VMZHVLLKSA-N 0 0 182.650 2.950 10 0 AFAERN CCCCOc1ccccc1 59218102 343343405 /nfs/dbraw/zinc/34/34/05/343343405.db2.gz GCOBKDRGRGSDAM-UHFFFAOYSA-N 0 0 149.213 2.680 10 0 AFAERN CC(=O)c1csc2c1CCCC2 59305090 343343700 /nfs/dbraw/zinc/34/37/00/343343700.db2.gz YWNNCMYCGWLBKK-UHFFFAOYSA-N 0 0 180.272 2.830 10 0 AFAERN C/C=C/[C@H](O)c1ccc(Cl)cc1 59301682 343343732 /nfs/dbraw/zinc/34/37/32/343343732.db2.gz BDINGGMEZOVMQE-PBKGFPTLSA-N 0 0 182.650 2.950 10 0 AFAERN Cc1ccc(F)c(C)c1C 59280655 343343797 /nfs/dbraw/zinc/34/37/97/343343797.db2.gz YDLFYFXTJGGZLU-UHFFFAOYSA-N 0 0 138.185 2.751 10 0 AFAERN CC(C)(F)c1ccccc1 59246846 343343808 /nfs/dbraw/zinc/34/38/08/343343808.db2.gz YXRSGWODHVDMSL-UHFFFAOYSA-N 0 0 138.185 2.891 10 0 AFAERN CC(C)(C)[C@@H]1CCCC[C@H]1NO 59322228 343343951 /nfs/dbraw/zinc/34/39/51/343343951.db2.gz IYQMOLNCWHGDRW-RKDXNWHRSA-N 0 0 171.284 2.570 10 0 AFAERN CC1(C)C(=O)C[C@H]1c1ccc(F)cc1 59322785 343344028 /nfs/dbraw/zinc/34/40/28/343344028.db2.gz XKBMIUKESRBDQK-JTQLQIEISA-N 0 0 192.233 2.908 10 0 AFAERN CC(C)(C)[C@H]1CCCC[C@@H]1NO 59322227 343344083 /nfs/dbraw/zinc/34/40/83/343344083.db2.gz IYQMOLNCWHGDRW-IUCAKERBSA-N 0 0 171.284 2.570 10 0 AFAERN CC(C)(C)[C@@H]1CCCC[C@@H]1NO 59322225 343344108 /nfs/dbraw/zinc/34/41/08/343344108.db2.gz IYQMOLNCWHGDRW-BDAKNGLRSA-N 0 0 171.284 2.570 10 0 AFAERN Oc1ccc(Cl)c2c1CCCC2 59358708 343344112 /nfs/dbraw/zinc/34/41/12/343344112.db2.gz DUQUFSQRQYYYBG-UHFFFAOYSA-N 0 0 182.650 2.924 10 0 AFAERN CCc1c(C)cc(C)cc1O 59381042 343344296 /nfs/dbraw/zinc/34/42/96/343344296.db2.gz AUSGGQXRZFERKB-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN C=CSCCC(C)C 59381824 343344496 /nfs/dbraw/zinc/34/44/96/343344496.db2.gz QYJKGCDIDXNDIT-UHFFFAOYSA-N 0 0 130.256 2.909 10 0 AFAERN Cc1ccc(F)cc1Cl 59436523 343344642 /nfs/dbraw/zinc/34/46/42/343344642.db2.gz IOOIXTODCYLBET-UHFFFAOYSA-N 0 0 143.568 2.661 10 0 AFAERN CCCCCCC 59436593 343344712 /nfs/dbraw/zinc/34/47/12/343344712.db2.gz GMKRIJMOEPLPGY-UHFFFAOYSA-N 0 0 99.197 2.791 10 0 in-vitro AFAERN CCC(C)(C)c1csc(CC#N)n1 59438737 343344744 /nfs/dbraw/zinc/34/47/44/343344744.db2.gz LJBOVECOPIEDIB-UHFFFAOYSA-N 0 0 194.303 2.897 10 0 AFAERN CCC1CCCCC1 59448036 343345112 /nfs/dbraw/zinc/34/51/12/343345112.db2.gz YOPICGNWPAKZOG-UHFFFAOYSA-N 0 0 111.208 2.791 10 0 AFAERN Cc1c(Cl)ccc([N+](=O)[O-])c1C 59454348 343345144 /nfs/dbraw/zinc/34/51/44/343345144.db2.gz NWAOUFGCGKRZBR-UHFFFAOYSA-N 0 0 185.610 2.865 10 0 AFAERN CC(C)(C)[C@@H]1CCCC[C@H]1CO 59491106 343345147 /nfs/dbraw/zinc/34/51/47/343345147.db2.gz WFGPPQBQYDPUBM-VHSXEESVSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)(C)[C@H]1CCCC[C@H]1CO 59491107 343345159 /nfs/dbraw/zinc/34/51/59/343345159.db2.gz WFGPPQBQYDPUBM-UWVGGRQHSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)(C)[C@H]1CCCC[C@@H]1CO 59491104 343345160 /nfs/dbraw/zinc/34/51/60/343345160.db2.gz WFGPPQBQYDPUBM-ZJUUUORDSA-N 0 0 170.296 2.831 10 0 AFAERN CP(C)(=O)Oc1ccccc1 59508896 343345439 /nfs/dbraw/zinc/34/54/39/343345439.db2.gz UOUBSNKDIDEUCV-UHFFFAOYSA-N 0 0 170.148 2.603 10 0 AFAERN CCCNc1cc(C)cc(O)c1 59523621 343345465 /nfs/dbraw/zinc/34/54/65/343345465.db2.gz CPOGNAVPUCFJEQ-UHFFFAOYSA-N 0 0 165.236 2.523 10 0 AFAERN C[C@@H]1CC(=O)c2cc(F)ccc2C1 59519736 343345488 /nfs/dbraw/zinc/34/54/88/343345488.db2.gz VDVVKEJGOCIDCJ-ZETCQYMHSA-N 0 0 178.206 2.591 10 0 AFAERN C[C@H]1CC(=O)c2cc(F)ccc2C1 59519734 343345492 /nfs/dbraw/zinc/34/54/92/343345492.db2.gz VDVVKEJGOCIDCJ-SSDOTTSWSA-N 0 0 178.206 2.591 10 0 AFAERN c1ccc(P2CCCC2)cc1 59563731 343345839 /nfs/dbraw/zinc/34/58/39/343345839.db2.gz JYDAZNWPLREYCL-UHFFFAOYSA-N 0 0 164.188 2.588 10 0 AFAERN COc1c(Cl)ccc(Cl)c1N 59595293 343346054 /nfs/dbraw/zinc/34/60/54/343346054.db2.gz DSTYKCDGDXOVOZ-UHFFFAOYSA-N 0 0 192.045 2.584 10 0 AFAERN COc1c(N)ccc(Cl)c1Cl 59595296 343346065 /nfs/dbraw/zinc/34/60/65/343346065.db2.gz YNMZQQXVRYHMKT-UHFFFAOYSA-N 0 0 192.045 2.584 10 0 AFAERN CC1=C[C@@H]2[C@H](CC1)C2(C)C 59586951 343346099 /nfs/dbraw/zinc/34/60/99/343346099.db2.gz IBVJWOMJGCHRRW-DTWKUNHWSA-N 0 0 136.238 2.999 10 0 biogenic,in-man AFAERN CC[C@@H](C)CCCC[C@@H](C)O 59625046 343346423 /nfs/dbraw/zinc/34/64/23/343346423.db2.gz GCOBJHFUTQUABB-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@H](C)CCCC[C@H](C)O 59625059 343346441 /nfs/dbraw/zinc/34/64/41/343346441.db2.gz GCOBJHFUTQUABB-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@H](C)CCCC[C@@H](C)O 59625049 343346575 /nfs/dbraw/zinc/34/65/75/343346575.db2.gz GCOBJHFUTQUABB-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN C=C/C=C/C=C/CC 59728871 343347076 /nfs/dbraw/zinc/34/70/76/343347076.db2.gz HOXGZVUCAYFWGR-KQQUZDAGSA-N 0 0 108.184 2.695 10 0 in-vitro AFAERN O=C1C=CN(Cc2ccccc2)C=CC1 59703337 343347064 /nfs/dbraw/zinc/34/70/64/343347064.db2.gz HBJLRUNJAGEQQA-UHFFFAOYSA-N 0 0 199.253 2.972 10 0 AFAERN CCC(=O)N(C(C)C)C1CCCCC1 59709112 343347176 /nfs/dbraw/zinc/34/71/76/343347176.db2.gz HZVGVMKLGLBEDF-UHFFFAOYSA-N 0 0 197.322 2.966 10 0 AFAERN C1C2CC3CC1CC(C2)C3 59720970 343347269 /nfs/dbraw/zinc/34/72/69/343347269.db2.gz XXSGCHWKCCBZEW-UHFFFAOYSA-N 0 0 135.230 2.791 10 0 AFAERN Cc1ccc2[nH]c3c(c2c1)COCC3 59730658 343347275 /nfs/dbraw/zinc/34/72/75/343347275.db2.gz FZWXTQBUGBJZDQ-UHFFFAOYSA-N 0 0 187.242 2.549 10 0 AFAERN CC(C)C[C@H]1CCCC[C@@H](O)C1 59787650 343347445 /nfs/dbraw/zinc/34/74/45/343347445.db2.gz VGNVUAQTOIDPES-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN FCc1cc(F)c(F)c(F)c1 59753536 343347460 /nfs/dbraw/zinc/34/74/60/343347460.db2.gz USWKCCBVAZIEIB-UHFFFAOYSA-N 0 0 164.101 2.573 10 0 AFAERN CC(C)C[C@@H]1CCCC[C@@H](O)C1 59787648 343347479 /nfs/dbraw/zinc/34/74/79/343347479.db2.gz VGNVUAQTOIDPES-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@@H]1CCCC[C@H](O)C1 59787643 343347487 /nfs/dbraw/zinc/34/74/87/343347487.db2.gz VGNVUAQTOIDPES-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@@H]1CCCCC[C@@H]1O 59787841 343347550 /nfs/dbraw/zinc/34/75/50/343347550.db2.gz LRWIVTQLGGEPHM-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@H]1CCCC[C@H](O)C1 59787646 343347552 /nfs/dbraw/zinc/34/75/52/343347552.db2.gz VGNVUAQTOIDPES-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@@H]1CCCC[C@H](O)C1 59787966 343347593 /nfs/dbraw/zinc/34/75/93/343347593.db2.gz YXGIYPCRXPOJIJ-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@H]1CCCC[C@H](O)C1 59787974 343347705 /nfs/dbraw/zinc/34/77/05/343347705.db2.gz YXGIYPCRXPOJIJ-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CCCNc1noc2ccccc12 59750450 343347684 /nfs/dbraw/zinc/34/76/84/343347684.db2.gz IOWQFGLVXSYPIK-UHFFFAOYSA-N 0 0 176.219 2.650 10 0 AFAERN O=C(CC1CCCC1)c1ccc[nH]1 59743648 343347693 /nfs/dbraw/zinc/34/76/93/343347693.db2.gz DKXKHGKVHXGPOI-UHFFFAOYSA-N 0 0 177.247 2.778 10 0 AFAERN CC[C@H](C)[C@H]1CCCCC[C@@H]1O 59787847 343347700 /nfs/dbraw/zinc/34/77/00/343347700.db2.gz LRWIVTQLGGEPHM-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CCCCOP1(=O)CC=CC1 59868070 343348134 /nfs/dbraw/zinc/34/81/34/343348134.db2.gz MDTGHJKMNQEOKF-UHFFFAOYSA-N 0 0 174.180 2.651 10 0 AFAERN CCCCP1(=O)CC=CC1 59868020 343348287 /nfs/dbraw/zinc/34/82/87/343348287.db2.gz ORQSXMYVZRGWNX-UHFFFAOYSA-N 0 0 158.181 2.719 10 0 AFAERN Cc1cc(C)c(F)cc1F 59918406 343348694 /nfs/dbraw/zinc/34/86/94/343348694.db2.gz CQYLGSKQLBWLHF-UHFFFAOYSA-N 0 0 142.148 2.582 10 0 AFAERN C[C@@H]1Cc2ccc(Cl)cc2[C@@H]1O 59960722 343349218 /nfs/dbraw/zinc/34/92/18/343349218.db2.gz LJHBBMMDFPVHLF-LHLIQPBNSA-N 0 0 182.650 2.566 10 0 AFAERN C[C@@H]1Cc2ccc(Cl)cc2[C@H]1O 59960730 343349333 /nfs/dbraw/zinc/34/93/33/343349333.db2.gz LJHBBMMDFPVHLF-LDWIPMOCSA-N 0 0 182.650 2.566 10 0 AFAERN COc1cc2ccccc2cc1F 59997603 343349474 /nfs/dbraw/zinc/34/94/74/343349474.db2.gz NNNXRXGGPOJVFH-UHFFFAOYSA-N 0 0 176.190 2.988 10 0 AFAERN CC1=CCC(C)=C1C 59969375 343349728 /nfs/dbraw/zinc/34/97/28/343349728.db2.gz WFZFDWAAGYEXOS-UHFFFAOYSA-N 0 0 108.184 2.673 10 0 AFAERN Cc1ccnc(-c2ccc(C=O)cc2)c1 59968717 343349752 /nfs/dbraw/zinc/34/97/52/343349752.db2.gz GHBLNQSCMJBLNQ-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN C[C@H]1Cc2ccc(Cl)cc2[C@H]1O 59960733 343349769 /nfs/dbraw/zinc/34/97/69/343349769.db2.gz LJHBBMMDFPVHLF-WKEGUHRASA-N 0 0 182.650 2.566 10 0 AFAERN Cc1ccnc(-c2cccc(N)c2)c1 59968863 343349853 /nfs/dbraw/zinc/34/98/53/343349853.db2.gz PWXVHZNJSNXBIH-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1cccnc1-c1cccc(N)c1 59968837 343349857 /nfs/dbraw/zinc/34/98/57/343349857.db2.gz YBKCEYYODOTKFT-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN COc1c(Cl)ccc(O)c1Cl 60040687 343349975 /nfs/dbraw/zinc/34/99/75/343349975.db2.gz VSLOTICSYBAKSK-UHFFFAOYSA-N 0 0 193.029 2.708 10 0 AFAERN CC(C)CN(CC(C)C)C(=O)S 60067478 343350460 /nfs/dbraw/zinc/35/04/60/343350460.db2.gz VMEOFRRFNIVESX-UHFFFAOYSA-N 0 0 189.324 2.650 10 0 AFAERN Fc1ccnc(Cl)c1Cl 60076423 343350729 /nfs/dbraw/zinc/35/07/29/343350729.db2.gz KTXLKTOMNJDCRJ-UHFFFAOYSA-N 0 0 165.982 2.528 10 0 AFAERN CC[C@H](C)c1c[nH]c(=S)[nH]1 60142681 343350973 /nfs/dbraw/zinc/35/09/73/343350973.db2.gz WOVUHIJYLAMZDH-YFKPBYRVSA-N 0 0 156.254 2.586 10 0 AFAERN CNc1nc2ccccc2cc1C 60122842 343351044 /nfs/dbraw/zinc/35/10/44/343351044.db2.gz YONVVUSIJCWWKB-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN Cc1ccc(OC(C)(C)C)c(C=O)c1 60115368 343351128 /nfs/dbraw/zinc/35/11/28/343351128.db2.gz WIOFADTZKFMZPR-UHFFFAOYSA-N 0 0 192.258 2.985 10 0 AFAERN CC(C)c1cnc2sccn12 60110848 343351180 /nfs/dbraw/zinc/35/11/80/343351180.db2.gz HWMFUOWSRNDZAS-UHFFFAOYSA-N 0 0 166.249 2.519 10 0 AFAERN CC[C@@H](C)c1c[nH]c(=S)[nH]1 60142679 343351214 /nfs/dbraw/zinc/35/12/14/343351214.db2.gz WOVUHIJYLAMZDH-RXMQYKEDSA-N 0 0 156.254 2.586 10 0 AFAERN CCCCc1cc(C)ccc1N 60162018 343351388 /nfs/dbraw/zinc/35/13/88/343351388.db2.gz DKDONJPTJOTPBV-UHFFFAOYSA-N 0 0 163.264 2.920 10 0 AFAERN CC[C@H](NN)c1ccc(C)c(Cl)c1 60157559 343351461 /nfs/dbraw/zinc/35/14/61/343351461.db2.gz SGQKPLPGLRXUPG-JTQLQIEISA-N 0 0 198.697 2.563 10 0 AFAERN CC[C@@H](NN)c1ccc(C)c(Cl)c1 60157561 343351616 /nfs/dbraw/zinc/35/16/16/343351616.db2.gz SGQKPLPGLRXUPG-SNVBAGLBSA-N 0 0 198.697 2.563 10 0 AFAERN CCCCCCN(OCC)OCC 60169738 343351733 /nfs/dbraw/zinc/35/17/33/343351733.db2.gz LMPVYLLRKDYUBN-UHFFFAOYSA-N 0 0 189.299 2.772 10 0 AFAERN COc1cc(Cl)cc(C)c1C 60237671 343351955 /nfs/dbraw/zinc/35/19/55/343351955.db2.gz SLDKQYZZVSTOFG-UHFFFAOYSA-N 0 0 170.639 2.965 10 0 AFAERN COc1cc(C)cc(Cl)c1C 60237669 343351971 /nfs/dbraw/zinc/35/19/71/343351971.db2.gz QVCQSWXDQYSMJT-UHFFFAOYSA-N 0 0 170.639 2.965 10 0 AFAERN CCc1cn(C(C)=O)c2ccccc12 60249290 343351999 /nfs/dbraw/zinc/35/19/99/343351999.db2.gz LRGXKMOFCYRFGA-UHFFFAOYSA-N 0 0 187.242 2.864 10 0 AFAERN Cc1ccc(C=O)cc1C(C)C 60237537 343352015 /nfs/dbraw/zinc/35/20/15/343352015.db2.gz KHQJWAAYVIQLAN-UHFFFAOYSA-N 0 0 162.232 2.931 10 0 AFAERN CC(C)[C@@H](C)NC(=O)c1ccsc1 60249690 343352389 /nfs/dbraw/zinc/35/23/89/343352389.db2.gz HDTSVAAUWIAOCP-MRVPVSSYSA-N 0 0 197.303 2.522 10 0 AFAERN CC(C)[C@H](C)NC(=O)c1ccsc1 60249691 343352463 /nfs/dbraw/zinc/35/24/63/343352463.db2.gz HDTSVAAUWIAOCP-QMMMGPOBSA-N 0 0 197.303 2.522 10 0 AFAERN CCNC(=O)[C@@]1(C)CC[C@H](C)C1(C)C 60249856 343352471 /nfs/dbraw/zinc/35/24/71/343352471.db2.gz XBZREWWEKKCQAI-JOYOIKCWSA-N 0 0 197.322 2.585 10 0 AFAERN CCNC(=O)[C@]1(C)CC[C@@H](C)C1(C)C 60249857 343352568 /nfs/dbraw/zinc/35/25/68/343352568.db2.gz XBZREWWEKKCQAI-SKDRFNHKSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@@H]1Cc2ccccc2N(C)C1 60250935 343352582 /nfs/dbraw/zinc/35/25/82/343352582.db2.gz XDQUFWVDUGEELO-SNVBAGLBSA-N 0 0 175.275 2.705 10 0 AFAERN CC[C@H]1Cc2ccccc2N(C)C1 60250939 343352590 /nfs/dbraw/zinc/35/25/90/343352590.db2.gz XDQUFWVDUGEELO-JTQLQIEISA-N 0 0 175.275 2.705 10 0 AFAERN CCNC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C 60249858 343352606 /nfs/dbraw/zinc/35/26/06/343352606.db2.gz XBZREWWEKKCQAI-BXKDBHETSA-N 0 0 197.322 2.585 10 0 AFAERN Cc1ccccc1[C@H]1CCCC1=O 60710716 343354126 /nfs/dbraw/zinc/35/41/26/343354126.db2.gz LMFYCSUTNAAAQK-LLVKDONJSA-N 0 0 174.243 2.832 10 0 AFAERN O=C1CCC[C@@H]1c1ccccc1F 60710822 343354165 /nfs/dbraw/zinc/35/41/65/343354165.db2.gz GEZSFWQUKXUESF-SECBINFHSA-N 0 0 178.206 2.662 10 0 AFAERN O=C1CCCC[C@@H]1C1CCCC1 60710592 343354188 /nfs/dbraw/zinc/35/41/88/343354188.db2.gz SRSWSZYOGZLSMD-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CCCC[C@H]1C1CCCC1 60710589 343354240 /nfs/dbraw/zinc/35/42/40/343354240.db2.gz SRSWSZYOGZLSMD-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CCCCC[C@H]1c1cccnc1 60710981 343354244 /nfs/dbraw/zinc/35/42/44/343354244.db2.gz JCSRCKLJKUEKRM-NSHDSACASA-N 0 0 189.258 2.698 10 0 AFAERN O=C1CCCCC[C@@H]1c1cccnc1 60710984 343354297 /nfs/dbraw/zinc/35/42/97/343354297.db2.gz JCSRCKLJKUEKRM-LLVKDONJSA-N 0 0 189.258 2.698 10 0 AFAERN O=C1CCC[C@@H]1c1cccs1 60710895 343354318 /nfs/dbraw/zinc/35/43/18/343354318.db2.gz CEINYGKKLLHDRA-ZETCQYMHSA-N 0 0 166.245 2.585 10 0 AFAERN Cc1ccccc1[C@@H]1CCCC1=O 60710713 343354354 /nfs/dbraw/zinc/35/43/54/343354354.db2.gz LMFYCSUTNAAAQK-NSHDSACASA-N 0 0 174.243 2.832 10 0 AFAERN O=C1CCC[C@H]1c1ccccc1F 60710818 343354362 /nfs/dbraw/zinc/35/43/62/343354362.db2.gz GEZSFWQUKXUESF-VIFPVBQESA-N 0 0 178.206 2.662 10 0 AFAERN O=C1CCC[C@H]1c1cccs1 60710890 343354367 /nfs/dbraw/zinc/35/43/67/343354367.db2.gz CEINYGKKLLHDRA-SSDOTTSWSA-N 0 0 166.245 2.585 10 0 AFAERN CCCNc1cc(F)c(F)cc1F 61093177 343354751 /nfs/dbraw/zinc/35/47/51/343354751.db2.gz LXXDNFFLEDWBSY-UHFFFAOYSA-N 0 0 189.180 2.926 10 0 AFAERN CC(C)Nc1cc(F)cc(F)c1F 61095359 343354876 /nfs/dbraw/zinc/35/48/76/343354876.db2.gz KRLZKAAYKVLKGR-UHFFFAOYSA-N 0 0 189.180 2.924 10 0 AFAERN CCCNc1ccc(F)c(C)c1 61096783 343354921 /nfs/dbraw/zinc/35/49/21/343354921.db2.gz KPPLZPYFTMKPKS-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN CC[C@H](O)c1cccc2cnccc12 61123731 343354945 /nfs/dbraw/zinc/35/49/45/343354945.db2.gz WOIVSNWWCFSRQJ-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN CCCNc1cc(F)cc(F)c1F 61095358 343355021 /nfs/dbraw/zinc/35/50/21/343355021.db2.gz XWLYTOKHKKDWKD-UHFFFAOYSA-N 0 0 189.180 2.926 10 0 AFAERN CC[C@@H](O)c1cccc2cnccc12 61123732 343355041 /nfs/dbraw/zinc/35/50/41/343355041.db2.gz WOIVSNWWCFSRQJ-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN Fc1cc(F)c(-n2cccc2)cc1F 61094870 343355189 /nfs/dbraw/zinc/35/51/89/343355189.db2.gz FKWKCEKBBVLHKD-UHFFFAOYSA-N 0 0 197.159 2.895 10 0 AFAERN Cc1cc(NCC(F)F)ccc1F 61096706 343355142 /nfs/dbraw/zinc/35/51/42/343355142.db2.gz CYWMRVSBDWDQHC-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN Fc1cc(F)c(F)c(-n2cccc2)c1 61121373 343355159 /nfs/dbraw/zinc/35/51/59/343355159.db2.gz FLAGHUQHSHFGNF-UHFFFAOYSA-N 0 0 197.159 2.895 10 0 AFAERN Nc1cc(C(F)F)nc2ccccc12 61629512 343357913 /nfs/dbraw/zinc/35/79/13/343357913.db2.gz DJZNPABMPJJWIE-UHFFFAOYSA-N 0 0 194.184 2.755 10 0 AFAERN COCc1nc(Cl)ccc1Cl 61639300 343358425 /nfs/dbraw/zinc/35/84/25/343358425.db2.gz NWHZOLBEUNDJHT-UHFFFAOYSA-N 0 0 192.045 2.535 10 0 AFAERN Cc1ccc(N2CCC[C@@H]2C)cc1N 61701447 343360635 /nfs/dbraw/zinc/36/06/35/343360635.db2.gz NGFUQEAIASMJTE-JTQLQIEISA-N 0 0 190.290 2.566 10 0 AFAERN Cc1ccc(NC2CCC2)cc1N 61701987 343360730 /nfs/dbraw/zinc/36/07/30/343360730.db2.gz UCPSZDIMGONJAB-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CC[C@H](C)N(C)c1ccc(C)c(N)c1 61701157 343360743 /nfs/dbraw/zinc/36/07/43/343360743.db2.gz CDCKCRKITPESAR-JTQLQIEISA-N 0 0 192.306 2.812 10 0 AFAERN CC(=O)c1ccc(N(C)C)c(Cl)c1 61693618 343360753 /nfs/dbraw/zinc/36/07/53/343360753.db2.gz LYPLXJDFVPCOTO-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN Cc1ccc(N2CCC[C@H]2C)cc1N 61701448 343360817 /nfs/dbraw/zinc/36/08/17/343360817.db2.gz NGFUQEAIASMJTE-SNVBAGLBSA-N 0 0 190.290 2.566 10 0 AFAERN CCc1nc(C)c(C(C)C)c(NC)n1 61687361 343360770 /nfs/dbraw/zinc/36/07/70/343360770.db2.gz GSSNDPVGRXZQPZ-UHFFFAOYSA-N 0 0 193.294 2.513 10 0 AFAERN Cc1ccc(NC2CCCC2)cc1N 61700802 343360858 /nfs/dbraw/zinc/36/08/58/343360858.db2.gz SLRNSSCCJJKALR-UHFFFAOYSA-N 0 0 190.290 2.932 10 0 AFAERN CC[C@@H](C)N(C)c1ccc(C)c(N)c1 61701156 343360872 /nfs/dbraw/zinc/36/08/72/343360872.db2.gz CDCKCRKITPESAR-SNVBAGLBSA-N 0 0 192.306 2.812 10 0 AFAERN CCc1cnc(NC(C)(C)C)s1 61714636 343362950 /nfs/dbraw/zinc/36/29/50/343362950.db2.gz AKKUOASDYXNVOW-UHFFFAOYSA-N 0 0 184.308 2.916 10 0 AFAERN CCc1csc(NC(C)(C)C)n1 61714632 343363090 /nfs/dbraw/zinc/36/30/90/343363090.db2.gz AXSXJVCWBMPRKC-UHFFFAOYSA-N 0 0 184.308 2.916 10 0 AFAERN Clc1nc2c(s1)CSCC2 61714169 343363108 /nfs/dbraw/zinc/36/31/08/343363108.db2.gz BKTIZZWFEOZBJR-UHFFFAOYSA-N 0 0 191.708 2.586 10 0 AFAERN Cc1cnc(NC(C)(C)C)s1 61714634 343363158 /nfs/dbraw/zinc/36/31/58/343363158.db2.gz JTQQWSQXYCFZCD-UHFFFAOYSA-N 0 0 170.281 2.662 10 0 AFAERN CCc1cnc(NC(C)C)s1 61714510 343363184 /nfs/dbraw/zinc/36/31/84/343363184.db2.gz JVULZVNCWFHAAU-UHFFFAOYSA-N 0 0 170.281 2.526 10 0 AFAERN CC[C@H]1CCc2nc(NC)sc2C1 61714304 343363201 /nfs/dbraw/zinc/36/32/01/343363201.db2.gz MSOZWNOIIZDKGQ-ZETCQYMHSA-N 0 0 196.319 2.700 10 0 AFAERN CC[C@@H]1CCc2nc(NC)sc2C1 61714303 343363208 /nfs/dbraw/zinc/36/32/08/343363208.db2.gz MSOZWNOIIZDKGQ-SSDOTTSWSA-N 0 0 196.319 2.700 10 0 AFAERN Cc1ccc(-c2csc(C=O)n2)o1 61798340 343363390 /nfs/dbraw/zinc/36/33/90/343363390.db2.gz ULRONHXRGBGERN-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN O=Cc1nc2c(s1)CCCCCC2 61798343 343363465 /nfs/dbraw/zinc/36/34/65/343363465.db2.gz NHLGEFWTGPVJBE-UHFFFAOYSA-N 0 0 195.287 2.615 10 0 AFAERN O=Cc1nc(C2CCCC2)cs1 61798534 343363477 /nfs/dbraw/zinc/36/34/77/343363477.db2.gz OJVNKPCOOWSBIX-UHFFFAOYSA-N 0 0 181.260 2.613 10 0 AFAERN Cc1sc(C=O)nc1-c1ccco1 61798526 343363599 /nfs/dbraw/zinc/36/35/99/343363599.db2.gz AVEDCSNDMLXTPG-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN O=Cc1nc(-c2cccs2)cs1 61798341 343363643 /nfs/dbraw/zinc/36/36/43/343363643.db2.gz UATJNMQBBLFNSI-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN C[C@@H]1CCc2ccc(F)cc2C(=O)C1 61831329 343364433 /nfs/dbraw/zinc/36/44/33/343364433.db2.gz FVLTTYLYCLDGFQ-MRVPVSSYSA-N 0 0 192.233 2.981 10 0 AFAERN C[C@H]1CCc2ccccc2C(=O)C1 61831324 343364529 /nfs/dbraw/zinc/36/45/29/343364529.db2.gz ZNLXRJHYESJJKM-VIFPVBQESA-N 0 0 174.243 2.842 10 0 AFAERN C[C@H]1CCc2ccc(F)cc2C(=O)C1 61831330 343364609 /nfs/dbraw/zinc/36/46/09/343364609.db2.gz FVLTTYLYCLDGFQ-QMMMGPOBSA-N 0 0 192.233 2.981 10 0 AFAERN C[C@@H]1CCc2ccccc2C(=O)C1 61831323 343364696 /nfs/dbraw/zinc/36/46/96/343364696.db2.gz ZNLXRJHYESJJKM-SECBINFHSA-N 0 0 174.243 2.842 10 0 AFAERN CCc1nc(CC(C)(C)C)c(N)s1 61839113 343364739 /nfs/dbraw/zinc/36/47/39/343364739.db2.gz VCIFWJXROUSIHP-UHFFFAOYSA-N 0 0 198.335 2.876 10 0 AFAERN CC[C@@H](O)c1ccc(F)c(F)c1F 61838147 343364794 /nfs/dbraw/zinc/36/47/94/343364794.db2.gz ZJVOGTHCVOTEQA-SSDOTTSWSA-N 0 0 190.164 2.547 10 0 AFAERN C[C@@H]1CCc2ccc(F)cc2[C@@H](O)C1 61831989 343364902 /nfs/dbraw/zinc/36/49/02/343364902.db2.gz BXEXXTSFQQCXJL-PELKAZGASA-N 0 0 194.249 2.832 10 0 AFAERN Cc1nc(CC(C)(C)C)c(N)s1 61839112 343364924 /nfs/dbraw/zinc/36/49/24/343364924.db2.gz HETJCTAGQCQOBL-UHFFFAOYSA-N 0 0 184.308 2.622 10 0 AFAERN C[C@@H]1CCc2ccc(F)cc2[C@H](O)C1 61831987 343364927 /nfs/dbraw/zinc/36/49/27/343364927.db2.gz BXEXXTSFQQCXJL-PRHODGIISA-N 0 0 194.249 2.832 10 0 AFAERN C[C@H]1CCc2ccc(F)cc2[C@H](O)C1 61831988 343364960 /nfs/dbraw/zinc/36/49/60/343364960.db2.gz BXEXXTSFQQCXJL-QPUJVOFHSA-N 0 0 194.249 2.832 10 0 AFAERN C[C@H]1CCc2ccc(F)cc2[C@@H](O)C1 61831990 343365044 /nfs/dbraw/zinc/36/50/44/343365044.db2.gz BXEXXTSFQQCXJL-UFBFGSQYSA-N 0 0 194.249 2.832 10 0 AFAERN CC[C@@H](Nc1nccc(C)n1)C(C)C 61859244 343365670 /nfs/dbraw/zinc/36/56/70/343365670.db2.gz HAIWMFZWZPPXBY-SNVBAGLBSA-N 0 0 193.294 2.632 10 0 AFAERN Fc1ccc(-c2ncc[nH]2)c(Cl)c1 61847266 343365693 /nfs/dbraw/zinc/36/56/93/343365693.db2.gz ULMILPNQPXZKMC-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN CC[C@@H](O)c1ccc(F)cc1Cl 61845864 343365697 /nfs/dbraw/zinc/36/56/97/343365697.db2.gz JOALSHQXSRPWJB-SECBINFHSA-N 0 0 188.629 2.923 10 0 AFAERN CC[C@H](O)c1ccc(F)cc1Cl 61845863 343365712 /nfs/dbraw/zinc/36/57/12/343365712.db2.gz JOALSHQXSRPWJB-VIFPVBQESA-N 0 0 188.629 2.923 10 0 AFAERN CC[C@H](Nc1nccc(C)n1)C(C)C 61859243 343365826 /nfs/dbraw/zinc/36/58/26/343365826.db2.gz HAIWMFZWZPPXBY-JTQLQIEISA-N 0 0 193.294 2.632 10 0 AFAERN CC(C)Nc1nc(C2CC2)cs1 61877210 343366155 /nfs/dbraw/zinc/36/61/55/343366155.db2.gz KQIUAMNAQJTEOW-UHFFFAOYSA-N 0 0 182.292 2.841 10 0 AFAERN CCc1csc(N[C@@H]2C[C@H]2C)n1 61894742 343366618 /nfs/dbraw/zinc/36/66/18/343366618.db2.gz MOENGXVYBDSFLI-HTRCEHHLSA-N 0 0 182.292 2.526 10 0 AFAERN CCc1csc(N[C@H]2C[C@H]2C)n1 61894743 343366631 /nfs/dbraw/zinc/36/66/31/343366631.db2.gz MOENGXVYBDSFLI-SVRRBLITSA-N 0 0 182.292 2.526 10 0 AFAERN O[C@H](CC1CCCCC1)C(F)(F)F 61893823 343366644 /nfs/dbraw/zinc/36/66/44/343366644.db2.gz RMHXCCFQIOVNCF-MRVPVSSYSA-N 0 0 196.212 2.880 10 0 AFAERN CCc1csc(N[C@@H]2CC2(C)C)n1 61894692 343366690 /nfs/dbraw/zinc/36/66/90/343366690.db2.gz IUMSNEMCHDZFBL-MRVPVSSYSA-N 0 0 196.319 2.916 10 0 AFAERN CCc1csc(N[C@@H]2C[C@@H]2C)n1 61894740 343366692 /nfs/dbraw/zinc/36/66/92/343366692.db2.gz MOENGXVYBDSFLI-POYBYMJQSA-N 0 0 182.292 2.526 10 0 AFAERN CCc1csc(N[C@H]2C[C@@H]2C)n1 61894741 343366694 /nfs/dbraw/zinc/36/66/94/343366694.db2.gz MOENGXVYBDSFLI-XPUUQOCRSA-N 0 0 182.292 2.526 10 0 AFAERN C[C@H]1CCC(=O)[C@H](Cc2ccco2)C1 62102279 343370584 /nfs/dbraw/zinc/37/05/84/343370584.db2.gz ZVEDAHHVEFCCIN-UWVGGRQHSA-N 0 0 192.258 2.827 10 0 AFAERN C[C@H]1CCC(=O)[C@@H](Cc2ccco2)C1 62102281 343370683 /nfs/dbraw/zinc/37/06/83/343370683.db2.gz ZVEDAHHVEFCCIN-VHSXEESVSA-N 0 0 192.258 2.827 10 0 AFAERN O=C1CCCC[C@H]1Cc1ccco1 62102268 343370753 /nfs/dbraw/zinc/37/07/53/343370753.db2.gz CYQMCHFMBOBILD-VIFPVBQESA-N 0 0 178.231 2.581 10 0 AFAERN O=C1CCCC[C@@H]1Cc1ccco1 62102269 343370791 /nfs/dbraw/zinc/37/07/91/343370791.db2.gz CYQMCHFMBOBILD-SECBINFHSA-N 0 0 178.231 2.581 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](Cc2ccco2)C1 62102280 343370809 /nfs/dbraw/zinc/37/08/09/343370809.db2.gz ZVEDAHHVEFCCIN-NXEZZACHSA-N 0 0 192.258 2.827 10 0 AFAERN CC(C)CCCn1cccc1C=O 62101641 343370823 /nfs/dbraw/zinc/37/08/23/343370823.db2.gz DRIODVDBUXWZRE-UHFFFAOYSA-N 0 0 179.263 2.737 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](Cc2ccco2)C1 62102278 343370826 /nfs/dbraw/zinc/37/08/26/343370826.db2.gz ZVEDAHHVEFCCIN-ZJUUUORDSA-N 0 0 192.258 2.827 10 0 AFAERN Cc1ccc(C[C@H](O)C2CCC2)cc1 62142279 343371708 /nfs/dbraw/zinc/37/17/08/343371708.db2.gz RKSGBMSUXDGYSD-ZDUSSCGKSA-N 0 0 190.286 2.699 10 0 AFAERN O[C@@H](Cc1ccsc1)c1ccoc1 62137528 343371732 /nfs/dbraw/zinc/37/17/32/343371732.db2.gz BMJIWJWSBKMZNU-JTQLQIEISA-N 0 0 194.255 2.617 10 0 AFAERN Cc1nc2cc(F)c(Cl)cc2[nH]1 62152735 343371735 /nfs/dbraw/zinc/37/17/35/343371735.db2.gz JYLLWXNVYCWUMU-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN Cc1ccc(C[C@H](O)[C@H]2C[C@@H]2C)cc1 62142269 343371800 /nfs/dbraw/zinc/37/18/00/343371800.db2.gz WWYPPFWAUIFPJA-DRZSPHRISA-N 0 0 190.286 2.554 10 0 AFAERN Cc1ccccc1C[C@H](O)C1CCC1 62142022 343371878 /nfs/dbraw/zinc/37/18/78/343371878.db2.gz TWLCMGCDWJDDDX-ZDUSSCGKSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1nc2cc(C(C)C)ccc2[nH]1 62152733 343371919 /nfs/dbraw/zinc/37/19/19/343371919.db2.gz WBVWBHXCNQGIQO-UHFFFAOYSA-N 0 0 174.247 2.995 10 0 AFAERN O[C@H](Cc1ccsc1)c1ccoc1 62137527 343371983 /nfs/dbraw/zinc/37/19/83/343371983.db2.gz BMJIWJWSBKMZNU-SNVBAGLBSA-N 0 0 194.255 2.617 10 0 AFAERN Cc1ccc(C[C@@H](O)C2CCC2)cc1 62142281 343371998 /nfs/dbraw/zinc/37/19/98/343371998.db2.gz RKSGBMSUXDGYSD-CYBMUJFWSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc(C[C@H](O)[C@@H]2C[C@@H]2C)cc1 62142265 343372004 /nfs/dbraw/zinc/37/20/04/343372004.db2.gz WWYPPFWAUIFPJA-UHTWSYAYSA-N 0 0 190.286 2.554 10 0 AFAERN Cc1ccccc1C[C@@H](O)C1CCC1 62142024 343372030 /nfs/dbraw/zinc/37/20/30/343372030.db2.gz TWLCMGCDWJDDDX-CYBMUJFWSA-N 0 0 190.286 2.699 10 0 AFAERN CCC[C@H](O)c1ccc2c(c1)COC2 62334947 343373342 /nfs/dbraw/zinc/37/33/42/343373342.db2.gz NLKKVLCLNYTAKT-LBPRGKRZSA-N 0 0 192.258 2.550 10 0 AFAERN CC(C)c1cccc2ccc(=O)[nH]c12 62323068 343373416 /nfs/dbraw/zinc/37/34/16/343373416.db2.gz WMUPNBGULQIPDD-UHFFFAOYSA-N 0 0 187.242 2.652 10 0 AFAERN CCC[C@@H](O)c1ccc2c(c1)COC2 62334948 343373518 /nfs/dbraw/zinc/37/35/18/343373518.db2.gz NLKKVLCLNYTAKT-GFCCVEGCSA-N 0 0 192.258 2.550 10 0 AFAERN O[C@@H](C1=CCCCC1)c1cscn1 62359816 343373797 /nfs/dbraw/zinc/37/37/97/343373797.db2.gz YYLMYHUPEDYTRA-JTQLQIEISA-N 0 0 195.287 2.677 10 0 AFAERN O[C@H](C1=CCCCC1)c1cscn1 62359814 343373866 /nfs/dbraw/zinc/37/38/66/343373866.db2.gz YYLMYHUPEDYTRA-SNVBAGLBSA-N 0 0 195.287 2.677 10 0 AFAERN CC[C@H]1CNc2cc(C)cc(C)c2O1 62521447 343374194 /nfs/dbraw/zinc/37/41/94/343374194.db2.gz LNZPBUOWFUAJQN-JTQLQIEISA-N 0 0 191.274 2.886 10 0 AFAERN Cc1cc2c(c(C)c1Cl)NCCO2 62522331 343374204 /nfs/dbraw/zinc/37/42/04/343374204.db2.gz SPCYURKWVHACGU-UHFFFAOYSA-N 0 0 197.665 2.761 10 0 AFAERN C[C@H]1COc2c(Cl)cccc2N1 62520325 343374238 /nfs/dbraw/zinc/37/42/38/343374238.db2.gz UACSSBNSDQWIQQ-LURJTMIESA-N 0 0 183.638 2.533 10 0 AFAERN Cc1cc(Cl)cc2c1O[C@H](C)CN2 62522266 343374321 /nfs/dbraw/zinc/37/43/21/343374321.db2.gz JQKJUUTZNKSUHX-SSDOTTSWSA-N 0 0 197.665 2.841 10 0 AFAERN C[C@H]1CCNc2cc(F)cc(F)c2O1 62522534 343374389 /nfs/dbraw/zinc/37/43/89/343374389.db2.gz PZTPKYTUDSPZRL-LURJTMIESA-N 0 0 199.200 2.548 10 0 AFAERN Cc1cc(Cl)cc2c1OC[C@H](C)N2 62522280 343374424 /nfs/dbraw/zinc/37/44/24/343374424.db2.gz PHVUSLOQUMRMCP-ZETCQYMHSA-N 0 0 197.665 2.841 10 0 AFAERN Cc1ccc(C)c2c1OCCC[C@H]2O 62567637 343376017 /nfs/dbraw/zinc/37/60/17/343376017.db2.gz OJNZVMPLSMNLRY-SNVBAGLBSA-N 0 0 192.258 2.509 10 0 AFAERN Cc1ccc(C)c2c1OCCC[C@@H]2O 62567639 343376033 /nfs/dbraw/zinc/37/60/33/343376033.db2.gz OJNZVMPLSMNLRY-JTQLQIEISA-N 0 0 192.258 2.509 10 0 AFAERN Cc1cc(C)c2c(c1)OCCC[C@@H]2O 62567640 343376094 /nfs/dbraw/zinc/37/60/94/343376094.db2.gz KMOCJTBGTLNYSP-JTQLQIEISA-N 0 0 192.258 2.509 10 0 AFAERN c1c(NC2CC2)n[nH]c1C1CCCC1 62668937 343377106 /nfs/dbraw/zinc/37/71/06/343377106.db2.gz ATWYPJHVUVDBDZ-UHFFFAOYSA-N 0 0 191.278 2.642 10 0 AFAERN Cc1c(NCC(C)C)n[nH]c1C(C)C 62669493 343377163 /nfs/dbraw/zinc/37/71/63/343377163.db2.gz SPRYZZBEHYODRA-UHFFFAOYSA-N 0 0 195.310 2.909 10 0 AFAERN CC(C)Nc1cc(C(C)(C)C)[nH]n1 62668392 343377170 /nfs/dbraw/zinc/37/71/70/343377170.db2.gz VKLCKQPMXCBVLB-UHFFFAOYSA-N 0 0 181.283 2.528 10 0 AFAERN CCCNc1n[nH]c2c1CCC[C@@H]2C 62668326 343377366 /nfs/dbraw/zinc/37/73/66/343377366.db2.gz IUKLAVUWMQYBGV-QMMMGPOBSA-N 0 0 193.294 2.671 10 0 AFAERN CCCNc1n[nH]c(C(C)C)c1C 62668264 343377378 /nfs/dbraw/zinc/37/73/78/343377378.db2.gz KSNCUFSPOWGZSK-UHFFFAOYSA-N 0 0 181.283 2.663 10 0 AFAERN CCNc1cc(C2CCCCC2)[nH]n1 62667956 343377380 /nfs/dbraw/zinc/37/73/80/343377380.db2.gz XMKUVVADNRKDJR-UHFFFAOYSA-N 0 0 193.294 2.889 10 0 AFAERN CCCNc1cc(C(C)(C)C)[nH]n1 62668099 343377383 /nfs/dbraw/zinc/37/73/83/343377383.db2.gz QJDQDCPQPBETLQ-UHFFFAOYSA-N 0 0 181.283 2.529 10 0 AFAERN Cc1c(NC(C)C)n[nH]c1C(C)C 62668584 343377474 /nfs/dbraw/zinc/37/74/74/343377474.db2.gz PIIVDJFCKFLOPL-UHFFFAOYSA-N 0 0 181.283 2.662 10 0 AFAERN CC(C)[C@H](C)C(=O)C(C)(C)C 62715878 343378272 /nfs/dbraw/zinc/37/82/72/343378272.db2.gz AYGMAUFUPIHQQG-QMMMGPOBSA-N 0 0 156.269 2.894 10 0 AFAERN CC(C)[C@@H](C)C(=O)C(C)(C)C 62715877 343378288 /nfs/dbraw/zinc/37/82/88/343378288.db2.gz AYGMAUFUPIHQQG-MRVPVSSYSA-N 0 0 156.269 2.894 10 0 AFAERN Cc1ccc(Cl)c([C@@H](C)O)c1 62718401 343378402 /nfs/dbraw/zinc/37/84/02/343378402.db2.gz AJSXCWSUXWKEEY-SSDOTTSWSA-N 0 0 170.639 2.702 10 0 AFAERN Cc1ccc(Cl)c([C@H](C)O)c1 62718403 343378475 /nfs/dbraw/zinc/37/84/75/343378475.db2.gz AJSXCWSUXWKEEY-ZETCQYMHSA-N 0 0 170.639 2.702 10 0 AFAERN Cc1c(N)cccc1N1CCC[C@H]1C 62724829 343378639 /nfs/dbraw/zinc/37/86/39/343378639.db2.gz YYFXZEIKJOBIJK-SECBINFHSA-N 0 0 190.290 2.566 10 0 AFAERN CC[C@H](C)Nc1cccc(N)c1C 62724061 343378724 /nfs/dbraw/zinc/37/87/24/343378724.db2.gz AQHXSSKZCXXEFK-QMMMGPOBSA-N 0 0 178.279 2.788 10 0 AFAERN Cc1c(N)cccc1N[C@@H](C)C1CC1 62724673 343378729 /nfs/dbraw/zinc/37/87/29/343378729.db2.gz WPGDGQJYJQMOKC-VIFPVBQESA-N 0 0 190.290 2.788 10 0 AFAERN Cc1c(N)cccc1N[C@H](C)C1CC1 62724674 343378743 /nfs/dbraw/zinc/37/87/43/343378743.db2.gz WPGDGQJYJQMOKC-SECBINFHSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1c(N)cccc1NC1CCC1 62725438 343378755 /nfs/dbraw/zinc/37/87/55/343378755.db2.gz ZPOKCXJUAOCPQJ-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CC[C@H](C)N(C)c1cccc(N)c1C 62724600 343378759 /nfs/dbraw/zinc/37/87/59/343378759.db2.gz CEUHQWQYHXKYCW-VIFPVBQESA-N 0 0 192.306 2.812 10 0 AFAERN Cc1c(N)cccc1N1CCC[C@@H]1C 62724828 343378789 /nfs/dbraw/zinc/37/87/89/343378789.db2.gz YYFXZEIKJOBIJK-VIFPVBQESA-N 0 0 190.290 2.566 10 0 AFAERN Cc1c(N)cccc1NCC1CCC1 62724617 343378947 /nfs/dbraw/zinc/37/89/47/343378947.db2.gz QLSJOBVSUVOJEB-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CC(C)Oc1cc(F)ccc1[C@@H](C)O 62749312 343378978 /nfs/dbraw/zinc/37/89/78/343378978.db2.gz UUMMSWYHSVZHAK-MRVPVSSYSA-N 0 0 198.237 2.666 10 0 AFAERN Cc1c(N)cccc1N(C)CC(C)C 62724597 343378982 /nfs/dbraw/zinc/37/89/82/343378982.db2.gz KKAMZDCOBNMPKV-UHFFFAOYSA-N 0 0 192.306 2.669 10 0 AFAERN CC[C@@H](C)N(C)c1cccc(N)c1C 62724599 343379013 /nfs/dbraw/zinc/37/90/13/343379013.db2.gz CEUHQWQYHXKYCW-SECBINFHSA-N 0 0 192.306 2.812 10 0 AFAERN CC(C)Oc1cc(F)ccc1[C@H](C)O 62749313 343379387 /nfs/dbraw/zinc/37/93/87/343379387.db2.gz UUMMSWYHSVZHAK-QMMMGPOBSA-N 0 0 198.237 2.666 10 0 AFAERN CNc1ccc2oc(C3CC3)nc2c1 62796762 343380067 /nfs/dbraw/zinc/38/00/67/343380067.db2.gz DQUSVKJBSHDGLT-UHFFFAOYSA-N 0 0 188.230 2.747 10 0 AFAERN COC(=N)C1(c2ccccc2)CCC1 62781952 343380136 /nfs/dbraw/zinc/38/01/36/343380136.db2.gz SUJVZFVFZQOOPV-UHFFFAOYSA-N 0 0 189.258 2.732 10 0 AFAERN CC(C)C(=O)C1(c2ccccc2)CC1 62780521 343380195 /nfs/dbraw/zinc/38/01/95/343380195.db2.gz KKQUYSFQLJEWHL-UHFFFAOYSA-N 0 0 188.270 2.943 10 0 AFAERN CC[C@@H](O)c1ccc2ncccc2c1 62801891 343380440 /nfs/dbraw/zinc/38/04/40/343380440.db2.gz CYCFJSPGZKGRKN-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN CC(C)Oc1cccc2c1CCC2=O 62800195 343380464 /nfs/dbraw/zinc/38/04/64/343380464.db2.gz SCHZDUBQQMDIMH-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN Nc1ccnc(SC2CCCC2)c1 62829129 343382265 /nfs/dbraw/zinc/38/22/65/343382265.db2.gz KGAAJZLVPNYIBJ-UHFFFAOYSA-N 0 0 194.303 2.699 10 0 AFAERN Cc1ccc(-c2ccccc2C=O)cn1 62948341 343387243 /nfs/dbraw/zinc/38/72/43/343387243.db2.gz NQZQDWZIKWCUIP-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1ccc(-c2ccc(C=O)cc2)cn1 62948335 343387301 /nfs/dbraw/zinc/38/73/01/343387301.db2.gz LRNRRBPDSRXLLP-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1ccc(-c2cccc(C=O)c2)cn1 62948339 343387441 /nfs/dbraw/zinc/38/74/41/343387441.db2.gz IUDOKSGDGSLFPI-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1ccc([C@@H]2CCCCC2=O)cn1 62950552 343387642 /nfs/dbraw/zinc/38/76/42/343387642.db2.gz UVKMULSYTSCGDE-NSHDSACASA-N 0 0 189.258 2.617 10 0 AFAERN Cc1ccc([C@@H](O)C2CCCC2)cn1 62949593 343387723 /nfs/dbraw/zinc/38/77/23/343387723.db2.gz MUMXDMDKBOIPCF-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN Cc1ccc([C@H](O)C2CCCC2)cn1 62949592 343387726 /nfs/dbraw/zinc/38/77/26/343387726.db2.gz MUMXDMDKBOIPCF-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN Cc1ccc([C@H]2CCCCC2=O)cn1 62950553 343387862 /nfs/dbraw/zinc/38/78/62/343387862.db2.gz UVKMULSYTSCGDE-LLVKDONJSA-N 0 0 189.258 2.617 10 0 AFAERN Cc1cc(OCC2CC2)c(C)cc1N 62997829 343396217 /nfs/dbraw/zinc/39/62/17/343396217.db2.gz HCJVQCDMJFWIGR-UHFFFAOYSA-N 0 0 191.274 2.674 10 0 AFAERN Cc1ccc(CC(=O)C(C)(C)C)nc1 63023516 343397328 /nfs/dbraw/zinc/39/73/28/343397328.db2.gz WZSUJRFIKLYOQL-UHFFFAOYSA-N 0 0 191.274 2.548 10 0 AFAERN Cc1ccc(C2(O)CC2)cc1Cl 63022642 343397459 /nfs/dbraw/zinc/39/74/59/343397459.db2.gz KXQYDGUKHVIHOK-UHFFFAOYSA-N 0 0 182.650 2.630 10 0 AFAERN Oc1cccc(NCc2ccoc2)c1 63046818 343397654 /nfs/dbraw/zinc/39/76/54/343397654.db2.gz FYIAWFAIRFWJCD-UHFFFAOYSA-N 0 0 189.214 2.597 10 0 AFAERN Oc1ccc(NCc2ccoc2)cc1 63047304 343397674 /nfs/dbraw/zinc/39/76/74/343397674.db2.gz ACEWXKHMLUUPHF-UHFFFAOYSA-N 0 0 189.214 2.597 10 0 AFAERN CC[C@@H](Nc1ncc(C)cn1)C(C)C 63048780 343398676 /nfs/dbraw/zinc/39/86/76/343398676.db2.gz FFNWEOIRVRZZKU-SNVBAGLBSA-N 0 0 193.294 2.632 10 0 AFAERN CC[C@H](Nc1ncc(C)cn1)C(C)C 63048779 343398752 /nfs/dbraw/zinc/39/87/52/343398752.db2.gz FFNWEOIRVRZZKU-JTQLQIEISA-N 0 0 193.294 2.632 10 0 AFAERN CC1(C)CCCN1c1ccccc1N 63066246 343399487 /nfs/dbraw/zinc/39/94/87/343399487.db2.gz OFLPDBCVJOUDMP-UHFFFAOYSA-N 0 0 190.290 2.648 10 0 AFAERN CC1(C)CCCN1c1cccc(F)n1 63074598 343400938 /nfs/dbraw/zinc/40/09/38/343400938.db2.gz CMSLHIVVUSOYQD-UHFFFAOYSA-N 0 0 194.253 2.600 10 0 AFAERN CC[C@@H](O)c1ccc2ccccc2n1 63075742 343400931 /nfs/dbraw/zinc/40/09/31/343400931.db2.gz NZUSIRTZUGQDDG-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN CCC[C@@](C)(O)c1cccs1 63076946 343401347 /nfs/dbraw/zinc/40/13/47/343401347.db2.gz GJDVLHQWYLLMAG-SECBINFHSA-N 0 0 170.277 2.756 10 0 AFAERN CCC[C@](C)(O)c1cccs1 63076944 343401612 /nfs/dbraw/zinc/40/16/12/343401612.db2.gz GJDVLHQWYLLMAG-VIFPVBQESA-N 0 0 170.277 2.756 10 0 AFAERN CNc1nc2ccc(C)cc2cc1C 63117616 343402786 /nfs/dbraw/zinc/40/27/86/343402786.db2.gz MXZVHACERREVGN-UHFFFAOYSA-N 0 0 186.258 2.893 10 0 AFAERN Cc1cc2c(C)ccc(F)c2nc1N 63117731 343402862 /nfs/dbraw/zinc/40/28/62/343402862.db2.gz JVHYBGRKMWZKKB-UHFFFAOYSA-N 0 0 190.221 2.573 10 0 AFAERN CNc1nc2c(C)cccc2cc1C 63118269 343402909 /nfs/dbraw/zinc/40/29/09/343402909.db2.gz YFJOVLZYLSPZNM-UHFFFAOYSA-N 0 0 186.258 2.893 10 0 AFAERN CCc1cc2ccccc2nc1NC 63118420 343402970 /nfs/dbraw/zinc/40/29/70/343402970.db2.gz YMDGCBXARJKVEL-UHFFFAOYSA-N 0 0 186.258 2.839 10 0 AFAERN Cc1cc2cc(F)cc(C)c2nc1N 63117804 343403049 /nfs/dbraw/zinc/40/30/49/343403049.db2.gz GLMIPQMTXLQNOI-UHFFFAOYSA-N 0 0 190.221 2.573 10 0 AFAERN CNc1nc2c(F)cccc2cc1C 63118035 343403075 /nfs/dbraw/zinc/40/30/75/343403075.db2.gz AJUNEOFRNDDQMA-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN Cc1cc(F)c2nc(N)c(C)cc2c1 63117122 343403102 /nfs/dbraw/zinc/40/31/02/343403102.db2.gz UAWBYMJTPJWSBZ-UHFFFAOYSA-N 0 0 190.221 2.573 10 0 AFAERN Cc1cc2ccc(F)c(C)c2nc1N 63118794 343403131 /nfs/dbraw/zinc/40/31/31/343403131.db2.gz IUCIUFGRKCULTF-UHFFFAOYSA-N 0 0 190.221 2.573 10 0 AFAERN CNc1nc2cc(F)ccc2cc1C 63118584 343403149 /nfs/dbraw/zinc/40/31/49/343403149.db2.gz TVCKCAPXBJLKCT-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN Cc1cc2c(F)ccc(C)c2nc1N 63117025 343403180 /nfs/dbraw/zinc/40/31/80/343403180.db2.gz WWIJAACLPOCYEG-UHFFFAOYSA-N 0 0 190.221 2.573 10 0 AFAERN CC[C@H](O)[C@@H]1CCCc2ccccc21 63157493 343403441 /nfs/dbraw/zinc/40/34/41/343403441.db2.gz DDTIOSGEHUSAJV-OLZOCXBDSA-N 0 0 190.286 2.877 10 0 AFAERN CC[C@@H](O)[C@@H]1CCCc2ccccc21 63157494 343403528 /nfs/dbraw/zinc/40/35/28/343403528.db2.gz DDTIOSGEHUSAJV-CHWSQXEVSA-N 0 0 190.286 2.877 10 0 AFAERN COC(=N)[C@@H]1CCCc2ccccc21 63158321 343403539 /nfs/dbraw/zinc/40/35/39/343403539.db2.gz FNWWCWAFCPUIAA-LLVKDONJSA-N 0 0 189.258 2.730 10 0 AFAERN CC[C@H](O)[C@H]1CCCc2ccccc21 63157495 343403640 /nfs/dbraw/zinc/40/36/40/343403640.db2.gz DDTIOSGEHUSAJV-STQMWFEESA-N 0 0 190.286 2.877 10 0 AFAERN COC(=N)[C@H]1CCCc2ccccc21 63158322 343403660 /nfs/dbraw/zinc/40/36/60/343403660.db2.gz FNWWCWAFCPUIAA-NSHDSACASA-N 0 0 189.258 2.730 10 0 AFAERN CC[C@@H](O)[C@H]1CCCc2ccccc21 63157496 343403665 /nfs/dbraw/zinc/40/36/65/343403665.db2.gz DDTIOSGEHUSAJV-QWHCGFSZSA-N 0 0 190.286 2.877 10 0 AFAERN Cc1nc(Cl)c2sc(C)cc2n1 63772347 343407059 /nfs/dbraw/zinc/40/70/59/343407059.db2.gz DMCDSJVAUAXXRC-UHFFFAOYSA-N 0 0 198.678 2.962 10 0 AFAERN Cc1cc2cccnc2cc1F 64033918 343407233 /nfs/dbraw/zinc/40/72/33/343407233.db2.gz PENNPXKQBCPQLF-UHFFFAOYSA-N 0 0 161.179 2.682 10 0 AFAERN Cc1ccc2nsnc2c1Cl 64871496 343407665 /nfs/dbraw/zinc/40/76/65/343407665.db2.gz XXNLFGOEJDOALJ-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN Cc1ccc(-c2ccc(O)cn2)cc1 65355586 343408163 /nfs/dbraw/zinc/40/81/63/343408163.db2.gz LCQGKMXSXYZARC-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1cc(C)cc(-c2cccc(=O)[nH]2)c1 65337736 343408191 /nfs/dbraw/zinc/40/81/91/343408191.db2.gz LSTMZBNQRFGYDT-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1ccc(-c2ccc(=O)[nH]c2)c(C)c1 65337727 343408235 /nfs/dbraw/zinc/40/82/35/343408235.db2.gz FNWDYVDBSHIQBB-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1cccc(-c2ccc(=O)[nH]c2)c1C 65337703 343408336 /nfs/dbraw/zinc/40/83/36/343408336.db2.gz HRFBSRJWHOOCBQ-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1ccc(C)c(-c2cccc(=O)[nH]2)c1 65337714 343408389 /nfs/dbraw/zinc/40/83/89/343408389.db2.gz DNQPIQNUTOVQAD-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1ccccc1-c1cncc(O)c1 65337613 343408542 /nfs/dbraw/zinc/40/85/42/343408542.db2.gz HJOWSKUEELYDOX-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1noc(C)c1-c1ccccc1O 65339915 343408554 /nfs/dbraw/zinc/40/85/54/343408554.db2.gz AVKNIPFIFCKEBZ-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN Cc1cccc(-c2ncccc2O)c1 65337614 343408566 /nfs/dbraw/zinc/40/85/66/343408566.db2.gz JHJMIBQABNAPQS-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccc(-c2cncc(O)c2)cc1 65337619 343408574 /nfs/dbraw/zinc/40/85/74/343408574.db2.gz OAEZJNQHWQOBMX-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CCCOc1c(C)cc(N)cc1C 66140621 343409194 /nfs/dbraw/zinc/40/91/94/343409194.db2.gz SJTLFSTXICWFRS-UHFFFAOYSA-N 0 0 179.263 2.674 10 0 AFAERN CCc1ccc(OC(C)C)c(N)c1 66140762 343409223 /nfs/dbraw/zinc/40/92/23/343409223.db2.gz HXEGPOLWLDWOQB-UHFFFAOYSA-N 0 0 179.263 2.618 10 0 AFAERN Cc1cc(N)cc(C)c1OCC(C)C 66140634 343409272 /nfs/dbraw/zinc/40/92/72/343409272.db2.gz MBOYQNUKZXFIPB-UHFFFAOYSA-N 0 0 193.290 2.920 10 0 AFAERN CCCOc1ccc(C=O)c(Cl)c1 66325775 343409808 /nfs/dbraw/zinc/40/98/08/343409808.db2.gz VNJRRSAJKPLVEP-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN C=C=C(C)c1ccccc1 66377707 343410412 /nfs/dbraw/zinc/41/04/12/343410412.db2.gz IHOYDALOVDQINJ-UHFFFAOYSA-N 0 0 130.190 2.875 10 0 AFAERN CCC/C=C/Br 66377960 343410426 /nfs/dbraw/zinc/41/04/26/343410426.db2.gz WSXIDSNEEOYBFA-SNAWJCMRSA-N 0 0 149.031 2.695 10 0 AFAERN COCOc1ccc(C(C)(C)C)cc1 68600238 343412202 /nfs/dbraw/zinc/41/22/02/343412202.db2.gz KOUFOLRRYLERAE-UHFFFAOYSA-N 0 0 194.274 2.967 10 0 AFAERN Cc1cccc([C@H](O)c2ccoc2)c1 68890715 343412486 /nfs/dbraw/zinc/41/24/86/343412486.db2.gz XXHIWJZYSZOQAF-LBPRGKRZSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1cccc([C@@H](O)c2ccoc2)c1 68890716 343412539 /nfs/dbraw/zinc/41/25/39/343412539.db2.gz XXHIWJZYSZOQAF-GFCCVEGCSA-N 0 0 188.226 2.670 10 0 AFAERN O[C@@H](c1ccoc1)C1CCCCC1 68890729 343412692 /nfs/dbraw/zinc/41/26/92/343412692.db2.gz NUTUIILRCBGOFG-LLVKDONJSA-N 0 0 180.247 2.893 10 0 AFAERN O[C@H](c1ccoc1)C1CCCCC1 68890730 343412752 /nfs/dbraw/zinc/41/27/52/343412752.db2.gz NUTUIILRCBGOFG-NSHDSACASA-N 0 0 180.247 2.893 10 0 AFAERN O=C(Cn1ccc2ccccc21)C1CC1 68898684 343413750 /nfs/dbraw/zinc/41/37/50/343413750.db2.gz LYVYRLQCHLGKFL-UHFFFAOYSA-N 0 0 199.253 2.620 10 0 AFAERN Cc1cn(CC(F)(F)F)c(C)c1C 68944295 343415434 /nfs/dbraw/zinc/41/54/34/343415434.db2.gz CQQCOMUQHCVDOV-UHFFFAOYSA-N 0 0 191.196 2.976 10 0 AFAERN Cc1[nH]c(C(=O)[C@@H]2C[C@H]2C)c(C)c1C 68944249 343415512 /nfs/dbraw/zinc/41/55/12/343415512.db2.gz OKOMKGZCNPYXPX-LHLIQPBNSA-N 0 0 191.274 2.779 10 0 AFAERN Cc1[nH]c(C(=O)[C@H]2C[C@H]2C)c(C)c1C 68944251 343415520 /nfs/dbraw/zinc/41/55/20/343415520.db2.gz OKOMKGZCNPYXPX-LDWIPMOCSA-N 0 0 191.274 2.779 10 0 AFAERN Cc1[nH]c(C(=O)[C@H]2C[C@@H]2C)c(C)c1C 68944248 343415628 /nfs/dbraw/zinc/41/56/28/343415628.db2.gz OKOMKGZCNPYXPX-WKEGUHRASA-N 0 0 191.274 2.779 10 0 AFAERN Cc1[nH]c(C(=O)CC2CC2)c(C)c1C 68944216 343415640 /nfs/dbraw/zinc/41/56/40/343415640.db2.gz CKGRRRSYICMIHB-UHFFFAOYSA-N 0 0 191.274 2.923 10 0 AFAERN Cc1cn(C(F)F)c(C)c1C 68944319 343415670 /nfs/dbraw/zinc/41/56/70/343415670.db2.gz OTIULUUQCKALOE-UHFFFAOYSA-N 0 0 159.179 2.808 10 0 AFAERN Cc1[nH]c([C@@H](O)C2CCC2)c(C)c1C 68944547 343415840 /nfs/dbraw/zinc/41/58/40/343415840.db2.gz VYFWBBUPMPBZSC-LBPRGKRZSA-N 0 0 193.290 2.773 10 0 AFAERN CC(C)CC[C@H](C)Nc1cccnn1 68945112 343416012 /nfs/dbraw/zinc/41/60/12/343416012.db2.gz UZQAIPHBBGNERQ-JTQLQIEISA-N 0 0 193.294 2.713 10 0 AFAERN Cc1cn(C[C@@H]2CCCO2)c(C)c1C 68944402 343416076 /nfs/dbraw/zinc/41/60/76/343416076.db2.gz JYRSMRCNDLMUPA-LBPRGKRZSA-N 0 0 193.290 2.592 10 0 AFAERN CCCn1cc(C)c(C)c1C 68944342 343416077 /nfs/dbraw/zinc/41/60/77/343416077.db2.gz FVUJOKBBEWIAHU-UHFFFAOYSA-N 0 0 151.253 2.823 10 0 AFAERN Cc1[nH]c([C@H](O)C2CCC2)c(C)c1C 68944545 343416150 /nfs/dbraw/zinc/41/61/50/343416150.db2.gz VYFWBBUPMPBZSC-GFCCVEGCSA-N 0 0 193.290 2.773 10 0 AFAERN Cc1cn(C[C@H]2CCCO2)c(C)c1C 68944403 343416191 /nfs/dbraw/zinc/41/61/91/343416191.db2.gz JYRSMRCNDLMUPA-GFCCVEGCSA-N 0 0 193.290 2.592 10 0 AFAERN CC(C)CC[C@@H](C)Nc1cccnn1 68945110 343416225 /nfs/dbraw/zinc/41/62/25/343416225.db2.gz UZQAIPHBBGNERQ-SNVBAGLBSA-N 0 0 193.294 2.713 10 0 AFAERN CC[C@@H](O)c1cncc2ccccc12 68949118 343416540 /nfs/dbraw/zinc/41/65/40/343416540.db2.gz ZQORDODYMQQHGF-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN CCC(=O)c1cncc2ccccc12 68949162 343416584 /nfs/dbraw/zinc/41/65/84/343416584.db2.gz VSKBQGYHIXZEPU-UHFFFAOYSA-N 0 0 185.226 2.828 10 0 AFAERN O=C(c1cncc2ccccc12)C1CC1 68949166 343416645 /nfs/dbraw/zinc/41/66/45/343416645.db2.gz VCLAPOLXZVGSFF-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN CC[C@H](O)c1cncc2ccccc12 68949116 343416719 /nfs/dbraw/zinc/41/67/19/343416719.db2.gz ZQORDODYMQQHGF-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN O=C(C1CCCCC1)C1CCOCC1 68956600 343417509 /nfs/dbraw/zinc/41/75/09/343417509.db2.gz WHVAWYMJPZAYQQ-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN O=C1CCCCC[C@@H]1C1CCOCC1 68958305 343417862 /nfs/dbraw/zinc/41/78/62/343417862.db2.gz RULWBOPSODQGRC-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN Cc1ccc(N)c(-c2ccoc2)c1 68978187 343417880 /nfs/dbraw/zinc/41/78/80/343417880.db2.gz OVTRQDTUBZLXBV-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Cc1ccc(N)c(-c2ccco2)c1 68978238 343417916 /nfs/dbraw/zinc/41/79/16/343417916.db2.gz JBWLYHNOZPPZKU-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Nc1ccc(-c2ccoc2)cc1F 68978206 343417918 /nfs/dbraw/zinc/41/79/18/343417918.db2.gz SHTUEMVZSSUMPU-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Nc1ccc(F)cc1-c1ccco1 68978252 343418061 /nfs/dbraw/zinc/41/80/61/343418061.db2.gz XBBSWRDQNLDFEK-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN COc1ccc(-c2ccco2)cc1N 68978248 343418073 /nfs/dbraw/zinc/41/80/73/343418073.db2.gz KAVPTJRLVCPPHN-UHFFFAOYSA-N 0 0 189.214 2.537 10 0 AFAERN Cc1cc(-c2ccoc2)ccc1N 68978215 343418087 /nfs/dbraw/zinc/41/80/87/343418087.db2.gz RXOYJIJMYQBVOI-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Nc1ccc(F)cc1-c1ccoc1 68978231 343418103 /nfs/dbraw/zinc/41/81/03/343418103.db2.gz SWLZFTXOGZKLTC-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Cc1cc(N)ccc1-c1ccoc1 68978210 343418124 /nfs/dbraw/zinc/41/81/24/343418124.db2.gz CCPGSMUGKUHMPV-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CCc1ccc([C@H](O)c2ccoc2)o1 68979218 343418232 /nfs/dbraw/zinc/41/82/32/343418232.db2.gz MXMIQOABVBOHAC-LLVKDONJSA-N 0 0 192.214 2.517 10 0 AFAERN CC1CCC(O)(c2ccoc2)CC1 68978639 343418215 /nfs/dbraw/zinc/41/82/15/343418215.db2.gz NKMLJCJXOUDRCE-UHFFFAOYSA-N 0 0 180.247 2.677 10 0 AFAERN CC1CCC(O)(c2ccco2)CC1 68978641 343418221 /nfs/dbraw/zinc/41/82/21/343418221.db2.gz RAVOHUPJCVHZFG-UHFFFAOYSA-N 0 0 180.247 2.677 10 0 AFAERN C[C@](O)(c1ccco1)c1cccs1 68978989 343418230 /nfs/dbraw/zinc/41/82/30/343418230.db2.gz KZOSMWAQCFKKGY-JTQLQIEISA-N 0 0 194.255 2.597 10 0 AFAERN C[C@](O)(c1ccccc1)c1ccoc1 68978727 343418238 /nfs/dbraw/zinc/41/82/38/343418238.db2.gz ZYQSGWLTLUVISA-LBPRGKRZSA-N 0 0 188.226 2.535 10 0 AFAERN OC1(c2ccoc2)CCCCCC1 68978703 343418255 /nfs/dbraw/zinc/41/82/55/343418255.db2.gz ZQKQGYNCGDVDHG-UHFFFAOYSA-N 0 0 180.247 2.821 10 0 AFAERN C[C@](O)(c1ccoc1)c1cccs1 68978986 343418270 /nfs/dbraw/zinc/41/82/70/343418270.db2.gz FQPXPOFPTOKMLV-JTQLQIEISA-N 0 0 194.255 2.597 10 0 AFAERN C[C@@H]1CCC[C@](O)(c2ccoc2)C1 68978612 343418273 /nfs/dbraw/zinc/41/82/73/343418273.db2.gz GFNYFXFOTKUSNN-MWLCHTKSSA-N 0 0 180.247 2.677 10 0 AFAERN C[C@@](O)(c1ccco1)c1cccs1 68978987 343418292 /nfs/dbraw/zinc/41/82/92/343418292.db2.gz KZOSMWAQCFKKGY-SNVBAGLBSA-N 0 0 194.255 2.597 10 0 AFAERN C[C@@](O)(c1ccccc1)c1ccoc1 68978726 343418295 /nfs/dbraw/zinc/41/82/95/343418295.db2.gz ZYQSGWLTLUVISA-GFCCVEGCSA-N 0 0 188.226 2.535 10 0 AFAERN C[C@H]1CCC[C@@](O)(c2ccoc2)C1 68978619 343418330 /nfs/dbraw/zinc/41/83/30/343418330.db2.gz GFNYFXFOTKUSNN-ONGXEEELSA-N 0 0 180.247 2.677 10 0 AFAERN C[C@@](O)(c1ccoc1)c1cccs1 68978984 343418335 /nfs/dbraw/zinc/41/83/35/343418335.db2.gz FQPXPOFPTOKMLV-SNVBAGLBSA-N 0 0 194.255 2.597 10 0 AFAERN C[C@H]1CCC[C@](O)(c2ccoc2)C1 68978614 343418347 /nfs/dbraw/zinc/41/83/47/343418347.db2.gz GFNYFXFOTKUSNN-GXSJLCMTSA-N 0 0 180.247 2.677 10 0 AFAERN CC[C@@](O)(c1ccco1)C(C)C 68978915 343418402 /nfs/dbraw/zinc/41/84/02/343418402.db2.gz XFKRNJJZDPURGX-JTQLQIEISA-N 0 0 168.236 2.533 10 0 AFAERN CC[C@](O)(c1ccco1)C(C)C 68978916 343418410 /nfs/dbraw/zinc/41/84/10/343418410.db2.gz XFKRNJJZDPURGX-SNVBAGLBSA-N 0 0 168.236 2.533 10 0 AFAERN C[C@@H]1CCC[C@@](O)(c2ccoc2)C1 68978616 343418461 /nfs/dbraw/zinc/41/84/61/343418461.db2.gz GFNYFXFOTKUSNN-KOLCDFICSA-N 0 0 180.247 2.677 10 0 AFAERN CC[C@@](O)(c1ccoc1)C(C)C 68978912 343418493 /nfs/dbraw/zinc/41/84/93/343418493.db2.gz FODVOXSYPCRWCN-JTQLQIEISA-N 0 0 168.236 2.533 10 0 AFAERN CC[C@](O)(c1ccoc1)C(C)C 68978913 343418496 /nfs/dbraw/zinc/41/84/96/343418496.db2.gz FODVOXSYPCRWCN-SNVBAGLBSA-N 0 0 168.236 2.533 10 0 AFAERN CCc1ccc([C@@H](O)c2ccoc2)o1 68979220 343418528 /nfs/dbraw/zinc/41/85/28/343418528.db2.gz MXMIQOABVBOHAC-NSHDSACASA-N 0 0 192.214 2.517 10 0 AFAERN CC(C)(C)CC(=O)c1ccoc1 68979456 343418657 /nfs/dbraw/zinc/41/86/57/343418657.db2.gz YRZOTFFOADTSFG-UHFFFAOYSA-N 0 0 166.220 2.899 10 0 AFAERN O=C(c1ccoc1)c1ccsc1 68979381 343418748 /nfs/dbraw/zinc/41/87/48/343418748.db2.gz CORNEINNFSERHM-UHFFFAOYSA-N 0 0 178.212 2.572 10 0 AFAERN O[C@H](c1ccco1)[C@H]1CC=CCC1 68979309 343418838 /nfs/dbraw/zinc/41/88/38/343418838.db2.gz XZXTWDICNUEGIL-ONGXEEELSA-N 0 0 178.231 2.669 10 0 AFAERN O[C@@H](c1ccco1)[C@@H]1CC=CCC1 68979311 343418883 /nfs/dbraw/zinc/41/88/83/343418883.db2.gz XZXTWDICNUEGIL-MWLCHTKSSA-N 0 0 178.231 2.669 10 0 AFAERN CC(C)(C)C[C@H](O)c1ccoc1 68979365 343418897 /nfs/dbraw/zinc/41/88/97/343418897.db2.gz ULCUIUPWIUECAJ-VIFPVBQESA-N 0 0 168.236 2.749 10 0 AFAERN CC[C@@H](C)C(=O)c1ccoc1 68979446 343418936 /nfs/dbraw/zinc/41/89/36/343418936.db2.gz QVWCWYBVYUEQKH-SSDOTTSWSA-N 0 0 152.193 2.508 10 0 AFAERN CC(C)(C)C[C@@H](O)c1ccoc1 68979367 343418982 /nfs/dbraw/zinc/41/89/82/343418982.db2.gz ULCUIUPWIUECAJ-SECBINFHSA-N 0 0 168.236 2.749 10 0 AFAERN CC[C@H](C)C(=O)c1ccoc1 68979448 343418991 /nfs/dbraw/zinc/41/89/91/343418991.db2.gz QVWCWYBVYUEQKH-ZETCQYMHSA-N 0 0 152.193 2.508 10 0 AFAERN CC(C)(C)C(=O)c1ccoc1 68979386 343419016 /nfs/dbraw/zinc/41/90/16/343419016.db2.gz LIQKWQNOHLFYIM-UHFFFAOYSA-N 0 0 152.193 2.508 10 0 AFAERN O[C@@H](c1ccco1)[C@H]1CC=CCC1 68979307 343419056 /nfs/dbraw/zinc/41/90/56/343419056.db2.gz XZXTWDICNUEGIL-GXSJLCMTSA-N 0 0 178.231 2.669 10 0 AFAERN O[C@H](c1ccco1)[C@@H]1CC=CCC1 68979312 343419060 /nfs/dbraw/zinc/41/90/60/343419060.db2.gz XZXTWDICNUEGIL-KOLCDFICSA-N 0 0 178.231 2.669 10 0 AFAERN O=C1CCCCC[C@H]1c1ccco1 68980358 343419167 /nfs/dbraw/zinc/41/91/67/343419167.db2.gz SZRJRPYOHZSGEV-SECBINFHSA-N 0 0 178.231 2.896 10 0 AFAERN O=C1CCCCC[C@H]1c1ccoc1 68980361 343419169 /nfs/dbraw/zinc/41/91/69/343419169.db2.gz KPLUNXZMCLOWHT-JTQLQIEISA-N 0 0 178.231 2.896 10 0 AFAERN O=C1CCCCC[C@@H]1c1ccoc1 68980364 343419170 /nfs/dbraw/zinc/41/91/70/343419170.db2.gz KPLUNXZMCLOWHT-SNVBAGLBSA-N 0 0 178.231 2.896 10 0 AFAERN O=Cc1cccc(Oc2cccnc2)c1 68983582 343419216 /nfs/dbraw/zinc/41/92/16/343419216.db2.gz ZBPDQLHJZVHRFD-UHFFFAOYSA-N 0 0 199.209 2.686 10 0 AFAERN O=C1CCCC[C@@H]1c1ccco1 68980346 343419296 /nfs/dbraw/zinc/41/92/96/343419296.db2.gz PFQUPUSWWYSFLV-QMMMGPOBSA-N 0 0 164.204 2.506 10 0 AFAERN O=C1CCCCC[C@@H]1c1ccco1 68980360 343419348 /nfs/dbraw/zinc/41/93/48/343419348.db2.gz SZRJRPYOHZSGEV-VIFPVBQESA-N 0 0 178.231 2.896 10 0 AFAERN O=C1CCCC[C@H]1c1ccco1 68980345 343419355 /nfs/dbraw/zinc/41/93/55/343419355.db2.gz PFQUPUSWWYSFLV-MRVPVSSYSA-N 0 0 164.204 2.506 10 0 AFAERN CCC(C)(C)N(C)c1cccc(N)c1 68995677 343419947 /nfs/dbraw/zinc/41/99/47/343419947.db2.gz CJGVQPBZSPJOGO-UHFFFAOYSA-N 0 0 192.306 2.894 10 0 AFAERN CCC(C)(C)N(C)c1cccc(F)n1 69016191 343421071 /nfs/dbraw/zinc/42/10/71/343421071.db2.gz SXKKMFPZVICYIQ-UHFFFAOYSA-N 0 0 196.269 2.846 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](O)C[C@@H]2C 69052038 343425055 /nfs/dbraw/zinc/42/50/55/343425055.db2.gz HQGMYEXIZAKRTP-GXSJLCMTSA-N 0 0 176.259 2.844 10 0 AFAERN Cc1[nH]c([C@@H](O)C(C)C)c(C)c1C 69234002 343425212 /nfs/dbraw/zinc/42/52/12/343425212.db2.gz BDIISOBDAQPFNO-NSHDSACASA-N 0 0 181.279 2.629 10 0 AFAERN CC[C@H](O)c1cccc2cccnc12 69050937 343425282 /nfs/dbraw/zinc/42/52/82/343425282.db2.gz XBRCCXWFSKGNHK-NSHDSACASA-N 0 0 187.242 2.678 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](O)C[C@@H]2C 69052039 343425315 /nfs/dbraw/zinc/42/53/15/343425315.db2.gz HQGMYEXIZAKRTP-ONGXEEELSA-N 0 0 176.259 2.844 10 0 AFAERN Cc1ccc(C(C)(C)C)nc1 69476299 343425348 /nfs/dbraw/zinc/42/53/48/343425348.db2.gz MVPXJVKKNFNIQH-UHFFFAOYSA-N 0 0 149.237 2.688 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](O)C[C@H]2C 69052041 343425427 /nfs/dbraw/zinc/42/54/27/343425427.db2.gz HQGMYEXIZAKRTP-KOLCDFICSA-N 0 0 176.259 2.844 10 0 AFAERN Cc1[nH]c([C@H](O)C(C)C)c(C)c1C 69234001 343425431 /nfs/dbraw/zinc/42/54/31/343425431.db2.gz BDIISOBDAQPFNO-LLVKDONJSA-N 0 0 181.279 2.629 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](O)C[C@H]2C 69052040 343425434 /nfs/dbraw/zinc/42/54/34/343425434.db2.gz HQGMYEXIZAKRTP-MWLCHTKSSA-N 0 0 176.259 2.844 10 0 AFAERN Cc1[nH]c(C(=O)C(C)C)c(C)c1C 69233656 343425448 /nfs/dbraw/zinc/42/54/48/343425448.db2.gz VXTHBCYANAXIEZ-UHFFFAOYSA-N 0 0 179.263 2.779 10 0 AFAERN CCC(=O)c1[nH]c(C)c(C)c1C 69233573 343425458 /nfs/dbraw/zinc/42/54/58/343425458.db2.gz MCFDKNDYMCGAKM-UHFFFAOYSA-N 0 0 165.236 2.533 10 0 AFAERN CC[C@@H](O)c1cccc2cccnc12 69050938 343425472 /nfs/dbraw/zinc/42/54/72/343425472.db2.gz XBRCCXWFSKGNHK-LLVKDONJSA-N 0 0 187.242 2.678 10 0 AFAERN O=C(c1ccoc1)c1cccc(F)c1 69630612 343428382 /nfs/dbraw/zinc/42/83/82/343428382.db2.gz OVVARYIYUPNXKX-UHFFFAOYSA-N 0 0 190.173 2.650 10 0 AFAERN O=C(c1ccoc1)C1CCCC1 69630636 343428406 /nfs/dbraw/zinc/42/84/06/343428406.db2.gz NTSBAYNDCLJSTQ-UHFFFAOYSA-N 0 0 164.204 2.653 10 0 AFAERN CC[C@H](O)c1nccc2ccccc12 69630586 343428424 /nfs/dbraw/zinc/42/84/24/343428424.db2.gz FWGWCSPMQBJVIO-NSHDSACASA-N 0 0 187.242 2.678 10 0 AFAERN CCC[C@H](O)c1cccc(F)c1F 69630097 343428461 /nfs/dbraw/zinc/42/84/61/343428461.db2.gz DPIOQPPIEPRLOH-VIFPVBQESA-N 0 0 186.201 2.798 10 0 AFAERN CC(C)[C@H](O)c1cccc(F)c1F 69630125 343428601 /nfs/dbraw/zinc/42/86/01/343428601.db2.gz ZOXALSZBBPPITA-JTQLQIEISA-N 0 0 186.201 2.654 10 0 AFAERN O=C(c1ccoc1)c1ccccc1F 69630655 343428670 /nfs/dbraw/zinc/42/86/70/343428670.db2.gz PPWJDPVDEALZLZ-UHFFFAOYSA-N 0 0 190.173 2.650 10 0 AFAERN CC(C)CC(=O)c1ccoc1 69630620 343428712 /nfs/dbraw/zinc/42/87/12/343428712.db2.gz HHMURMPANRJFGW-UHFFFAOYSA-N 0 0 152.193 2.508 10 0 AFAERN CC(C)[C@@H](O)c1cccc(F)c1F 69630127 343428772 /nfs/dbraw/zinc/42/87/72/343428772.db2.gz ZOXALSZBBPPITA-SNVBAGLBSA-N 0 0 186.201 2.654 10 0 AFAERN CC[C@@H](O)c1nccc2ccccc12 69630587 343428789 /nfs/dbraw/zinc/42/87/89/343428789.db2.gz FWGWCSPMQBJVIO-LLVKDONJSA-N 0 0 187.242 2.678 10 0 AFAERN CCC[C@@H](O)c1cccc(F)c1F 69630100 343428807 /nfs/dbraw/zinc/42/88/07/343428807.db2.gz DPIOQPPIEPRLOH-SECBINFHSA-N 0 0 186.201 2.798 10 0 AFAERN CC[C@@](C)(O)c1cccc(F)c1F 69640222 343430626 /nfs/dbraw/zinc/43/06/26/343430626.db2.gz MCNHSWLAXNSQLJ-SNVBAGLBSA-N 0 0 186.201 2.582 10 0 AFAERN OC1(c2cccc(F)c2F)CCCC1 69640203 343431009 /nfs/dbraw/zinc/43/10/09/343431009.db2.gz FSHDFFLGYOMEAM-UHFFFAOYSA-N 0 0 198.212 2.726 10 0 AFAERN CC[C@](C)(O)c1cccc(F)c1F 69640219 343431041 /nfs/dbraw/zinc/43/10/41/343431041.db2.gz MCNHSWLAXNSQLJ-JTQLQIEISA-N 0 0 186.201 2.582 10 0 AFAERN O[C@@H]1CCC[C@@H]1c1cccc(F)c1F 69640989 343431282 /nfs/dbraw/zinc/43/12/82/343431282.db2.gz ZOICUMJUAORKNY-GMSGAONNSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CCC[C@H]1c1cccc(F)c1F 69640984 343431393 /nfs/dbraw/zinc/43/13/93/343431393.db2.gz ZOICUMJUAORKNY-XVKPBYJWSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CCC[C@@H]1c1cccc(F)c1F 69640986 343431593 /nfs/dbraw/zinc/43/15/93/343431593.db2.gz ZOICUMJUAORKNY-XCBNKYQSSA-N 0 0 198.212 2.593 10 0 AFAERN C[C@H](CC1CC1)Nc1cccc(F)n1 69673675 343431756 /nfs/dbraw/zinc/43/17/56/343431756.db2.gz VWARVBVOZVCNEQ-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN C[C@H](CC1CC1)n1cccc1 69669624 343431680 /nfs/dbraw/zinc/43/16/80/343431680.db2.gz UKZGPOMCWKFVKL-SECBINFHSA-N 0 0 149.237 2.849 10 0 AFAERN C[C@@H](CC1CC1)Nc1ccc(F)cn1 69666813 343431712 /nfs/dbraw/zinc/43/17/12/343431712.db2.gz AZGZCVMBGCQJJD-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN Cc1cccnc1N[C@H](C)CC1CC1 69666911 343431829 /nfs/dbraw/zinc/43/18/29/343431829.db2.gz OLNRZENUUWTSJW-SNVBAGLBSA-N 0 0 190.290 2.991 10 0 AFAERN C[C@H](CC1CC1)Nc1ccc(F)cn1 69666817 343431865 /nfs/dbraw/zinc/43/18/65/343431865.db2.gz AZGZCVMBGCQJJD-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN C[C@@H](CC1CC1)Nc1cccc(F)n1 69673672 343431892 /nfs/dbraw/zinc/43/18/92/343431892.db2.gz VWARVBVOZVCNEQ-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN Cc1nnc(Cl)n1[C@@H](C)CC1CC1 69670323 343431920 /nfs/dbraw/zinc/43/19/20/343431920.db2.gz UUAOZOXCTOTKFT-LURJTMIESA-N 0 0 199.685 2.601 10 0 AFAERN Cc1cccnc1N[C@@H](C)CC1CC1 69666907 343431945 /nfs/dbraw/zinc/43/19/45/343431945.db2.gz OLNRZENUUWTSJW-JTQLQIEISA-N 0 0 190.290 2.991 10 0 AFAERN C[C@@H](CC1CC1)n1cccc1 69669620 343431951 /nfs/dbraw/zinc/43/19/51/343431951.db2.gz UKZGPOMCWKFVKL-VIFPVBQESA-N 0 0 149.237 2.849 10 0 AFAERN Cc1nnc(Cl)n1[C@H](C)CC1CC1 69670328 343431966 /nfs/dbraw/zinc/43/19/66/343431966.db2.gz UUAOZOXCTOTKFT-ZCFIWIBFSA-N 0 0 199.685 2.601 10 0 AFAERN C[C@H](CC1CC1)Nc1ncccc1F 69667289 343431968 /nfs/dbraw/zinc/43/19/68/343431968.db2.gz WAGCKMZWTKHQLJ-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN C[C@@H](CC1CC1)Nc1ncccc1F 69667286 343432012 /nfs/dbraw/zinc/43/20/12/343432012.db2.gz WAGCKMZWTKHQLJ-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN CC(C)[C@@H](C)C(=O)c1ccco1 69685640 343434133 /nfs/dbraw/zinc/43/41/33/343434133.db2.gz SHINQFXMCJLSFH-MRVPVSSYSA-N 0 0 166.220 2.754 10 0 AFAERN CC(C)[C@H](C)C(=O)c1ccco1 69685643 343434285 /nfs/dbraw/zinc/43/42/85/343434285.db2.gz SHINQFXMCJLSFH-QMMMGPOBSA-N 0 0 166.220 2.754 10 0 AFAERN CCc1c([C@@H](C)C(C)C)noc1N 69687881 343434585 /nfs/dbraw/zinc/43/45/85/343434585.db2.gz MIPRXWPFZXNRIM-ZETCQYMHSA-N 0 0 182.267 2.579 10 0 AFAERN CC(C)c1n[nH]c([C@H](C)C(C)C)n1 69688018 343434590 /nfs/dbraw/zinc/43/45/90/343434590.db2.gz AXYVWKVNEMDKOQ-MRVPVSSYSA-N 0 0 181.283 2.688 10 0 AFAERN CC(C)c1n[nH]c([C@@H](C)C(C)C)n1 69688013 343434598 /nfs/dbraw/zinc/43/45/98/343434598.db2.gz AXYVWKVNEMDKOQ-QMMMGPOBSA-N 0 0 181.283 2.688 10 0 AFAERN CCc1c([C@H](C)C(C)C)noc1N 69687884 343434673 /nfs/dbraw/zinc/43/46/73/343434673.db2.gz MIPRXWPFZXNRIM-SSDOTTSWSA-N 0 0 182.267 2.579 10 0 AFAERN CC(C)[C@H](C)[C@H](O)C1=CCCC1 69689686 343435072 /nfs/dbraw/zinc/43/50/72/343435072.db2.gz OAPLOPCPGOBLAE-ONGXEEELSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)[C@@H](C)[C@H](O)C1=CCCC1 69689683 343435090 /nfs/dbraw/zinc/43/50/90/343435090.db2.gz OAPLOPCPGOBLAE-KOLCDFICSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)[C@@H](C)c1nc2cccnc2[nH]1 69688103 343435101 /nfs/dbraw/zinc/43/51/01/343435101.db2.gz LZVSNJYRUJKXEH-MRVPVSSYSA-N 0 0 189.262 2.717 10 0 AFAERN CC(C)[C@H](C)c1nc2cccnc2[nH]1 69688106 343435133 /nfs/dbraw/zinc/43/51/33/343435133.db2.gz LZVSNJYRUJKXEH-QMMMGPOBSA-N 0 0 189.262 2.717 10 0 AFAERN CC(C)[C@@H](C)c1nc2cc[nH]cc-2n1 69688122 343435137 /nfs/dbraw/zinc/43/51/37/343435137.db2.gz MWTJOILAUPTLFV-MRVPVSSYSA-N 0 0 189.262 2.717 10 0 AFAERN CC(C)[C@H](C)c1nc2cc[nH]cc-2n1 69688129 343435162 /nfs/dbraw/zinc/43/51/62/343435162.db2.gz MWTJOILAUPTLFV-QMMMGPOBSA-N 0 0 189.262 2.717 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)C1=CCCC1 69689693 343435175 /nfs/dbraw/zinc/43/51/75/343435175.db2.gz OAPLOPCPGOBLAE-GXSJLCMTSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)[C@@H](C)[C@@H](O)C1=CCCC1 69689690 343435209 /nfs/dbraw/zinc/43/52/09/343435209.db2.gz OAPLOPCPGOBLAE-MWLCHTKSSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)[C@H](C)c1nnc(Cl)s1 69692091 343435608 /nfs/dbraw/zinc/43/56/08/343435608.db2.gz HUVOOXFFFNFGRT-YFKPBYRVSA-N 0 0 190.699 2.951 10 0 AFAERN CC(C)[C@@H](C)c1nnc(Cl)s1 69692088 343436031 /nfs/dbraw/zinc/43/60/31/343436031.db2.gz HUVOOXFFFNFGRT-RXMQYKEDSA-N 0 0 190.699 2.951 10 0 AFAERN CC(C)C(=O)c1c(F)cccc1F 69758953 343438794 /nfs/dbraw/zinc/43/87/94/343438794.db2.gz PKENGBIQADQPPL-UHFFFAOYSA-N 0 0 184.185 2.804 10 0 AFAERN O=C1CCC[C@@H]1c1c(F)cccc1F 69759153 343438820 /nfs/dbraw/zinc/43/88/20/343438820.db2.gz GNDAHZOXAAXQHJ-ZETCQYMHSA-N 0 0 196.196 2.801 10 0 AFAERN O[C@@H]1CCC[C@H]1c1c(F)cccc1F 69759148 343438855 /nfs/dbraw/zinc/43/88/55/343438855.db2.gz WHIVDVVGUVXNNK-GMSGAONNSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CCC[C@H]1c1c(F)cccc1F 69759146 343438914 /nfs/dbraw/zinc/43/89/14/343438914.db2.gz WHIVDVVGUVXNNK-XCBNKYQSSA-N 0 0 198.212 2.593 10 0 AFAERN OC1(c2c(F)cccc2F)CCCC1 69758818 343438939 /nfs/dbraw/zinc/43/89/39/343438939.db2.gz GXKZNBMERJJCJB-UHFFFAOYSA-N 0 0 198.212 2.726 10 0 AFAERN O=C1CCC[C@H]1c1c(F)cccc1F 69759152 343438991 /nfs/dbraw/zinc/43/89/91/343438991.db2.gz GNDAHZOXAAXQHJ-SSDOTTSWSA-N 0 0 196.196 2.801 10 0 AFAERN O[C@@H]1CCC[C@@H]1c1c(F)cccc1F 69759149 343438995 /nfs/dbraw/zinc/43/89/95/343438995.db2.gz WHIVDVVGUVXNNK-OIBJUYFYSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CCC[C@@H]1c1c(F)cccc1F 69759147 343439063 /nfs/dbraw/zinc/43/90/63/343439063.db2.gz WHIVDVVGUVXNNK-XVKPBYJWSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1ccc(N)cc1OC(C)(C)C 69760538 343439270 /nfs/dbraw/zinc/43/92/70/343439270.db2.gz MSLPUMFUVUBUPB-UHFFFAOYSA-N 0 0 179.263 2.755 10 0 AFAERN CC(C)(C)Oc1ccc(N)c(F)c1 69760540 343439377 /nfs/dbraw/zinc/43/93/77/343439377.db2.gz ZAXNUQIUNHXGOQ-UHFFFAOYSA-N 0 0 183.226 2.585 10 0 AFAERN C[C@@H](C1CCCC1)n1cnnc1Cl 69805922 343443631 /nfs/dbraw/zinc/44/36/31/343443631.db2.gz RKPGTPQUQXIYTN-ZETCQYMHSA-N 0 0 199.685 2.683 10 0 AFAERN C[C@@H](C1CCCC1)n1cn[nH]c1=S 69805517 343443688 /nfs/dbraw/zinc/44/36/88/343443688.db2.gz MOVDDDRWMRYSIQ-ZETCQYMHSA-N 0 0 197.307 2.692 10 0 AFAERN C[C@H](C1CCCC1)n1cn[nH]c1=S 69805519 343443810 /nfs/dbraw/zinc/44/38/10/343443810.db2.gz MOVDDDRWMRYSIQ-SSDOTTSWSA-N 0 0 197.307 2.692 10 0 AFAERN C[C@H](C1CCCC1)n1cnnc1Cl 69805923 343443858 /nfs/dbraw/zinc/44/38/58/343443858.db2.gz RKPGTPQUQXIYTN-SSDOTTSWSA-N 0 0 199.685 2.683 10 0 AFAERN Cc1ccccc1-c1cccnc1N 69841466 343444471 /nfs/dbraw/zinc/44/44/71/343444471.db2.gz SAVFDGWFMTVKPY-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1cccc(-c2cccnc2N)c1 69841489 343444515 /nfs/dbraw/zinc/44/45/15/343444515.db2.gz FDWIUWCUNDLRSE-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccc(-c2cccnc2N)cc1 69841330 343444615 /nfs/dbraw/zinc/44/46/15/343444615.db2.gz UTKDZLTVAUNXJI-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC(C)[C@H](C)C(=O)[C@@H]1CCCS1 69985015 343464282 /nfs/dbraw/zinc/46/42/82/343464282.db2.gz VYXWIGYIDIECOO-IUCAKERBSA-N 0 0 186.320 2.743 10 0 AFAERN C[C@@]1(C2CCCCC2)CC(=O)CCO1 69853073 343449476 /nfs/dbraw/zinc/44/94/76/343449476.db2.gz UETCHFWMPYVQKM-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@]1(C2CCCCC2)CC(=O)CCO1 69853071 343449529 /nfs/dbraw/zinc/44/95/29/343449529.db2.gz UETCHFWMPYVQKM-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@H]1CCC[C@@H](c2nc(C=O)c[nH]2)C1 69906778 343455205 /nfs/dbraw/zinc/45/52/05/343455205.db2.gz VTBYAQUTNXBXMD-DTWKUNHWSA-N 0 0 192.262 2.516 10 0 AFAERN C[C@@H]1CCC[C@@H](c2nc(C=O)c[nH]2)C1 69906777 343455218 /nfs/dbraw/zinc/45/52/18/343455218.db2.gz VTBYAQUTNXBXMD-RKDXNWHRSA-N 0 0 192.262 2.516 10 0 AFAERN C[C@@H]1CCC[C@H](c2nc(C=O)c[nH]2)C1 69906775 343455236 /nfs/dbraw/zinc/45/52/36/343455236.db2.gz VTBYAQUTNXBXMD-BDAKNGLRSA-N 0 0 192.262 2.516 10 0 AFAERN CC1CCC(c2nc(C=O)c[nH]2)CC1 69906762 343455399 /nfs/dbraw/zinc/45/53/99/343455399.db2.gz BJJJMEZJNXKDKJ-UHFFFAOYSA-N 0 0 192.262 2.516 10 0 AFAERN C[C@H]1CCC[C@H](c2nc(C=O)c[nH]2)C1 69906776 343455423 /nfs/dbraw/zinc/45/54/23/343455423.db2.gz VTBYAQUTNXBXMD-IUCAKERBSA-N 0 0 192.262 2.516 10 0 AFAERN Cc1ccnc(N)c1-c1cccs1 69942736 343458065 /nfs/dbraw/zinc/45/80/65/343458065.db2.gz OIDMKGLMUPTKHV-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Nc1ncc(Cl)cc1-c1ccoc1 69943683 343458534 /nfs/dbraw/zinc/45/85/34/343458534.db2.gz JEKOBWHYIHYEAV-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CC(C)CCc1cc(Cl)cnc1N 69943713 343458535 /nfs/dbraw/zinc/45/85/35/343458535.db2.gz FNFFWGKJXFLUBS-UHFFFAOYSA-N 0 0 198.697 2.906 10 0 AFAERN Nc1ncc(Cl)cc1-c1ccco1 69943777 343458604 /nfs/dbraw/zinc/45/86/04/343458604.db2.gz ZTIJIPBHXJQXSW-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CC[C@@H](C)Cc1cc(Cl)cnc1N 69943691 343458656 /nfs/dbraw/zinc/45/86/56/343458656.db2.gz YKAQCIXNIQAPIN-SSDOTTSWSA-N 0 0 198.697 2.906 10 0 AFAERN Nc1ncc(Cl)cc1C1CCCC1 69943711 343458679 /nfs/dbraw/zinc/45/86/79/343458679.db2.gz XSHOUJCTIGMHIB-UHFFFAOYSA-N 0 0 196.681 2.975 10 0 AFAERN CC(C)(C)c1cc(Cl)cnc1N 69943716 343458746 /nfs/dbraw/zinc/45/87/46/343458746.db2.gz BMYGQZSXSSEFSJ-UHFFFAOYSA-N 0 0 184.670 2.615 10 0 AFAERN CC[C@H](C)Cc1cc(Cl)cnc1N 69943693 343458810 /nfs/dbraw/zinc/45/88/10/343458810.db2.gz YKAQCIXNIQAPIN-ZETCQYMHSA-N 0 0 198.697 2.906 10 0 AFAERN CC(C)c1nccn1CC(F)(F)F 69950254 343460398 /nfs/dbraw/zinc/46/03/98/343460398.db2.gz UWVLHYKRJZRTRI-UHFFFAOYSA-N 0 0 192.184 2.569 10 0 AFAERN CC(C)c1nccn1Cc1ccco1 69950169 343460746 /nfs/dbraw/zinc/46/07/46/343460746.db2.gz VUSZZYAQIJZNEK-UHFFFAOYSA-N 0 0 190.246 2.648 10 0 AFAERN CC1CCC(Nc2nncs2)CC1 69965769 343460995 /nfs/dbraw/zinc/46/09/95/343460995.db2.gz PSQWFYBNXVTPGX-UHFFFAOYSA-N 0 0 197.307 2.529 10 0 AFAERN c1nnc(NCCC2CCCC2)s1 69965980 343461217 /nfs/dbraw/zinc/46/12/17/343461217.db2.gz HDMZZLXOEYERHR-UHFFFAOYSA-N 0 0 197.307 2.530 10 0 AFAERN c1nnc(NCC2CCCCC2)s1 69965819 343461224 /nfs/dbraw/zinc/46/12/24/343461224.db2.gz OQCWCOGZCTVOEA-UHFFFAOYSA-N 0 0 197.307 2.530 10 0 AFAERN c1ccc(NC[C@H]2CCCS2)cc1 69981968 343463871 /nfs/dbraw/zinc/46/38/71/343463871.db2.gz PYXDIWOTJNCQOG-LLVKDONJSA-N 0 0 193.315 2.994 10 0 AFAERN c1ccc(NC[C@@H]2CCCS2)cc1 69981965 343463933 /nfs/dbraw/zinc/46/39/33/343463933.db2.gz PYXDIWOTJNCQOG-NSHDSACASA-N 0 0 193.315 2.994 10 0 AFAERN O=C(C1CCCCC1)[C@@H]1CCSC1 69983669 343464029 /nfs/dbraw/zinc/46/40/29/343464029.db2.gz FBKWSTPFSAEGRA-SNVBAGLBSA-N 0 0 198.331 2.889 10 0 AFAERN CSCCC(=O)c1cccc(F)c1 69984393 343464251 /nfs/dbraw/zinc/46/42/51/343464251.db2.gz GKLHEGDSWBMXTN-UHFFFAOYSA-N 0 0 198.262 2.762 10 0 AFAERN CSCC(=O)c1sccc1C 69984606 343464264 /nfs/dbraw/zinc/46/42/64/343464264.db2.gz JZJRMXOQWTZIMN-UHFFFAOYSA-N 0 0 186.301 2.602 10 0 AFAERN Cc1occc1C(=O)[C@H]1CCCS1 69984816 343464271 /nfs/dbraw/zinc/46/42/71/343464271.db2.gz YNSFZBQLBFHUTA-SECBINFHSA-N 0 0 196.271 2.666 10 0 AFAERN Cc1ccoc1C(=O)[C@@H]1CCCS1 69984726 343464292 /nfs/dbraw/zinc/46/42/92/343464292.db2.gz KXHKRSIEOMOBEQ-QMMMGPOBSA-N 0 0 196.271 2.666 10 0 AFAERN O=C(c1cccs1)[C@H]1CCSC1 69983723 343464302 /nfs/dbraw/zinc/46/43/02/343464302.db2.gz QLSPMZMOSHJFER-ZETCQYMHSA-N 0 0 198.312 2.684 10 0 AFAERN CSCCC(=O)c1cccs1 69984232 343464312 /nfs/dbraw/zinc/46/43/12/343464312.db2.gz UBBDNQJZHDGDOC-UHFFFAOYSA-N 0 0 186.301 2.684 10 0 AFAERN CC(C)[C@@H](C)C(=O)[C@H]1CCCS1 69985016 343464322 /nfs/dbraw/zinc/46/43/22/343464322.db2.gz VYXWIGYIDIECOO-RKDXNWHRSA-N 0 0 186.320 2.743 10 0 AFAERN O=C(C1CCCCC1)[C@H]1CCSC1 69983671 343464330 /nfs/dbraw/zinc/46/43/30/343464330.db2.gz FBKWSTPFSAEGRA-JTQLQIEISA-N 0 0 198.331 2.889 10 0 AFAERN Cc1ccc(C(=O)[C@H]2CCCS2)o1 69984778 343464336 /nfs/dbraw/zinc/46/43/36/343464336.db2.gz DNIAJVWCBZGDAX-SECBINFHSA-N 0 0 196.271 2.666 10 0 AFAERN CSCC(=O)c1ccc(C)c(F)c1 69984670 343464343 /nfs/dbraw/zinc/46/43/43/343464343.db2.gz RZWKAAIRAHGAJS-UHFFFAOYSA-N 0 0 198.262 2.680 10 0 AFAERN O=C(c1ccsc1)[C@H]1CCSC1 69983864 343464352 /nfs/dbraw/zinc/46/43/52/343464352.db2.gz RNSORVVVIQGZPW-QMMMGPOBSA-N 0 0 198.312 2.684 10 0 AFAERN O=C(c1cccs1)[C@H]1CCCS1 69984917 343464362 /nfs/dbraw/zinc/46/43/62/343464362.db2.gz HIWWTJFZHVHYFS-MRVPVSSYSA-N 0 0 198.312 2.826 10 0 AFAERN O=C(C1CCCC1)[C@@H]1CCCS1 69985107 343464370 /nfs/dbraw/zinc/46/43/70/343464370.db2.gz SLBUPGMAOLVTIZ-VIFPVBQESA-N 0 0 184.304 2.641 10 0 AFAERN O=C(c1ccsc1)[C@H]1CCCS1 69985050 343464465 /nfs/dbraw/zinc/46/44/65/343464465.db2.gz PAHYKOBUEGUNFS-MRVPVSSYSA-N 0 0 198.312 2.826 10 0 AFAERN O=C(c1ccccc1)[C@@H]1CCSC1 69983945 343464468 /nfs/dbraw/zinc/46/44/68/343464468.db2.gz JTTMYEMKEPGFKS-SNVBAGLBSA-N 0 0 192.283 2.622 10 0 AFAERN CSCCC(=O)c1ccccc1F 69984126 343464480 /nfs/dbraw/zinc/46/44/80/343464480.db2.gz SQPFIGRCQJODQO-UHFFFAOYSA-N 0 0 198.262 2.762 10 0 AFAERN O=C(c1ccsc1)[C@@H]1CCCS1 69985048 343464482 /nfs/dbraw/zinc/46/44/82/343464482.db2.gz PAHYKOBUEGUNFS-QMMMGPOBSA-N 0 0 198.312 2.826 10 0 AFAERN O=C(c1cccs1)[C@@H]1CCCS1 69984914 343464499 /nfs/dbraw/zinc/46/44/99/343464499.db2.gz HIWWTJFZHVHYFS-QMMMGPOBSA-N 0 0 198.312 2.826 10 0 AFAERN O=C(c1cccs1)[C@@H]1CCSC1 69983720 343464510 /nfs/dbraw/zinc/46/45/10/343464510.db2.gz QLSPMZMOSHJFER-SSDOTTSWSA-N 0 0 198.312 2.684 10 0 AFAERN O=C(c1ccsc1)[C@@H]1CCSC1 69983863 343464519 /nfs/dbraw/zinc/46/45/19/343464519.db2.gz RNSORVVVIQGZPW-MRVPVSSYSA-N 0 0 198.312 2.684 10 0 AFAERN CC(C)[C@@H](C)C(=O)[C@@H]1CCCS1 69985014 343464539 /nfs/dbraw/zinc/46/45/39/343464539.db2.gz VYXWIGYIDIECOO-BDAKNGLRSA-N 0 0 186.320 2.743 10 0 AFAERN CC(C)[C@H](C)C(=O)[C@H]1CCCS1 69985018 343464547 /nfs/dbraw/zinc/46/45/47/343464547.db2.gz VYXWIGYIDIECOO-DTWKUNHWSA-N 0 0 186.320 2.743 10 0 AFAERN Nc1ccc(C(=O)C2CC2)c(Cl)c1 70042470 343468304 /nfs/dbraw/zinc/46/83/04/343468304.db2.gz YRGGTMWBLXZXNC-UHFFFAOYSA-N 0 0 195.649 2.515 10 0 AFAERN CC[C@@H](C)C(=O)c1ccc(N)cc1C 70042303 343468371 /nfs/dbraw/zinc/46/83/71/343468371.db2.gz BTSGECUJSPIELE-MRVPVSSYSA-N 0 0 191.274 2.806 10 0 AFAERN CC[C@@H](C)C(=O)c1ccc(N)c(F)c1 70041952 343468438 /nfs/dbraw/zinc/46/84/38/343468438.db2.gz HOCJYFPPMBPFMQ-SSDOTTSWSA-N 0 0 195.237 2.637 10 0 AFAERN Cc1cc(C(=O)CC2CC2)ccc1N 70041914 343468449 /nfs/dbraw/zinc/46/84/49/343468449.db2.gz XXVOBXONISSKEV-UHFFFAOYSA-N 0 0 189.258 2.560 10 0 AFAERN CC[C@H](C)C(=O)c1ccc(N)c(F)c1 70041954 343468534 /nfs/dbraw/zinc/46/85/34/343468534.db2.gz HOCJYFPPMBPFMQ-ZETCQYMHSA-N 0 0 195.237 2.637 10 0 AFAERN Cc1cc(N)ccc1C(=O)C1CCC1 70042358 343468560 /nfs/dbraw/zinc/46/85/60/343468560.db2.gz XMTMVSYMJRFCAG-UHFFFAOYSA-N 0 0 189.258 2.560 10 0 AFAERN CC[C@H](C)C(=O)c1ccc(N)cc1C 70042305 343468595 /nfs/dbraw/zinc/46/85/95/343468595.db2.gz BTSGECUJSPIELE-QMMMGPOBSA-N 0 0 191.274 2.806 10 0 AFAERN CC(C)CC(=O)c1ccc(N)c(F)c1 70041944 343468678 /nfs/dbraw/zinc/46/86/78/343468678.db2.gz WCZJNJPIUPQROC-UHFFFAOYSA-N 0 0 195.237 2.637 10 0 AFAERN Nc1ccc(C(=O)C2CC2)cc1Cl 70042097 343468699 /nfs/dbraw/zinc/46/86/99/343468699.db2.gz WIHWBFYXBZYEIA-UHFFFAOYSA-N 0 0 195.649 2.515 10 0 AFAERN Nc1ccc2c(Cl)ccc(F)c2n1 70055503 343470901 /nfs/dbraw/zinc/47/09/01/343470901.db2.gz MCUVLHHEIAOFRO-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CNc1ccc2cc(F)cc(C)c2n1 70060485 343470935 /nfs/dbraw/zinc/47/09/35/343470935.db2.gz PXFIOCKEOBPEDL-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CCNc1ccc2cc(C)ccc2n1 70055496 343470940 /nfs/dbraw/zinc/47/09/40/343470940.db2.gz ZDUCRUGNGHGVIN-UHFFFAOYSA-N 0 0 186.258 2.975 10 0 AFAERN CNc1ccc2cc(F)c(F)cc2n1 70055150 343470975 /nfs/dbraw/zinc/47/09/75/343470975.db2.gz ONQCIUICRTUNIW-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN Nc1ccc2cc(Cl)cc(F)c2n1 70055170 343470993 /nfs/dbraw/zinc/47/09/93/343470993.db2.gz KHAKFKYMOBFFQL-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CNc1ccc2c(C)ccc(F)c2n1 70060469 343471018 /nfs/dbraw/zinc/47/10/18/343471018.db2.gz AVVSWZJPBKIMME-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CNc1ccc2cc(Cl)ccc2n1 70060503 343471047 /nfs/dbraw/zinc/47/10/47/343471047.db2.gz ANKNKAQLEKCHQW-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CNc1ccc2cccc(Cl)c2n1 70060526 343471050 /nfs/dbraw/zinc/47/10/50/343471050.db2.gz YEYZDVZQLXBYRF-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CNc1ccc2cccc(C)c2n1 70055385 343471058 /nfs/dbraw/zinc/47/10/58/343471058.db2.gz KBUSLNQXKAZYIG-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN CNc1ccc2ccc(F)c(C)c2n1 70055315 343471086 /nfs/dbraw/zinc/47/10/86/343471086.db2.gz IDFMMYCHDCNYDE-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CNc1ccc2cc(F)cc(F)c2n1 70060541 343471090 /nfs/dbraw/zinc/47/10/90/343471090.db2.gz XZCNSDIAWXLONO-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN CNc1ccc2c(F)cc(F)cc2n1 70055411 343471156 /nfs/dbraw/zinc/47/11/56/343471156.db2.gz WHMWLSUNQSQXTN-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN CCNc1ccc2cc(F)ccc2n1 70060524 343471174 /nfs/dbraw/zinc/47/11/74/343471174.db2.gz ZLQFMXSUBYRYQZ-UHFFFAOYSA-N 0 0 190.221 2.806 10 0 AFAERN CNc1ccc2ccc(C)c(C)c2n1 70055211 343471184 /nfs/dbraw/zinc/47/11/84/343471184.db2.gz UEWSPZHGEGEQDH-UHFFFAOYSA-N 0 0 186.258 2.893 10 0 AFAERN Cc1cc(Cl)cc2ccc(N)nc12 70060535 343471197 /nfs/dbraw/zinc/47/11/97/343471197.db2.gz STZBRMIETGQGPH-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Nc1ccc2ccc(Cl)c(F)c2n1 70055229 343471257 /nfs/dbraw/zinc/47/12/57/343471257.db2.gz DPFIBCBUKLNXJO-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CC(C)c1cccc2ccc(N)nc12 70060530 343471262 /nfs/dbraw/zinc/47/12/62/343471262.db2.gz ITSMSFHNZISBAW-UHFFFAOYSA-N 0 0 186.258 2.940 10 0 AFAERN CNc1ccc2cc(C)ccc2n1 70055494 343471264 /nfs/dbraw/zinc/47/12/64/343471264.db2.gz ZEWBZBQWKAWYGT-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN Nc1ccc2cc(F)cc(Cl)c2n1 70055131 343471268 /nfs/dbraw/zinc/47/12/68/343471268.db2.gz SFPGDUCSXFTQOY-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Cc1ccnc(SC(C)(C)C)c1N 70063262 343472565 /nfs/dbraw/zinc/47/25/65/343472565.db2.gz ORJWDKKIUFWGAS-UHFFFAOYSA-N 0 0 196.319 2.863 10 0 AFAERN CC(=O)CCc1ccc2c(c1)CCC2 70063456 343472718 /nfs/dbraw/zinc/47/27/18/343472718.db2.gz UBKUHXIXWJHBAL-UHFFFAOYSA-N 0 0 188.270 2.697 10 0 AFAERN CCC(=O)Cc1ccc2c(c1)CCC2 70063567 343472830 /nfs/dbraw/zinc/47/28/30/343472830.db2.gz SVXAXMIYKGDAFB-UHFFFAOYSA-N 0 0 188.270 2.697 10 0 AFAERN C[C@H](CC1CC1)Nc1ccccn1 70102795 343474462 /nfs/dbraw/zinc/47/44/62/343474462.db2.gz QPWLZVGBSABRRX-SECBINFHSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@@H](CC1CC1)Nc1ccccn1 70102794 343474526 /nfs/dbraw/zinc/47/45/26/343474526.db2.gz QPWLZVGBSABRRX-VIFPVBQESA-N 0 0 176.263 2.682 10 0 AFAERN CC(=O)N[C@@H](C)c1cc(C)ccc1C 70218416 343479406 /nfs/dbraw/zinc/47/94/06/343479406.db2.gz MZGHGXRAGGVUQE-JTQLQIEISA-N 0 0 191.274 2.501 10 0 AFAERN CCOC(=O)Nc1ccc(C)c(F)c1 70223334 343479961 /nfs/dbraw/zinc/47/99/61/343479961.db2.gz DUCLLHIETZJSSG-UHFFFAOYSA-N 0 0 197.209 2.703 10 0 AFAERN C[C@@H](NC(=O)C(C)(C)C)c1ccco1 70224644 343480198 /nfs/dbraw/zinc/48/01/98/343480198.db2.gz RUKYOQBZZHPPKL-MRVPVSSYSA-N 0 0 195.262 2.503 10 0 AFAERN CCOC(=O)Nc1cc(C)ccc1F 70224134 343480228 /nfs/dbraw/zinc/48/02/28/343480228.db2.gz XBSTYHGTBJHVLD-UHFFFAOYSA-N 0 0 197.209 2.703 10 0 AFAERN CCOC(=O)Nc1ccc(C)cc1F 70224132 343480445 /nfs/dbraw/zinc/48/04/45/343480445.db2.gz OFRLOCWXJZAZCO-UHFFFAOYSA-N 0 0 197.209 2.703 10 0 AFAERN CC(=O)N(C)[C@H](C)c1ccc(C)s1 70227473 343482256 /nfs/dbraw/zinc/48/22/56/343482256.db2.gz BERCHFARTVBSTK-MRVPVSSYSA-N 0 0 197.303 2.596 10 0 AFAERN CC[C@@H](NC(=O)C(C)(C)C)C(C)C 70228297 343483213 /nfs/dbraw/zinc/48/32/13/343483213.db2.gz UYDIHPVRWGEODS-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@H](NC(=O)C(C)(C)C)C(C)C 70228296 343483312 /nfs/dbraw/zinc/48/33/12/343483312.db2.gz UYDIHPVRWGEODS-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN c1ccc(OC[C@@H]2CCCCO2)cc1 70233526 343484591 /nfs/dbraw/zinc/48/45/91/343484591.db2.gz QQPAGJGXORMART-LBPRGKRZSA-N 0 0 192.258 2.635 10 0 AFAERN CCOCCOc1cccc(CC)c1 70233516 343484612 /nfs/dbraw/zinc/48/46/12/343484612.db2.gz GDAXEMGKUOLWCA-UHFFFAOYSA-N 0 0 194.274 2.664 10 0 AFAERN c1ccc(OC[C@H]2CCCCO2)cc1 70233528 343484664 /nfs/dbraw/zinc/48/46/64/343484664.db2.gz QQPAGJGXORMART-GFCCVEGCSA-N 0 0 192.258 2.635 10 0 AFAERN CC(C)OCCOc1cccc(F)c1 70233605 343484712 /nfs/dbraw/zinc/48/47/12/343484712.db2.gz CGFIMJWIESDPCO-UHFFFAOYSA-N 0 0 198.237 2.630 10 0 AFAERN CC(C)OCCOc1ccc(F)cc1 70233595 343484719 /nfs/dbraw/zinc/48/47/19/343484719.db2.gz DMSXIOOVQASOBJ-UHFFFAOYSA-N 0 0 198.237 2.630 10 0 AFAERN O=C1CC[C@@H](SCc2ccco2)C1 70234176 343485004 /nfs/dbraw/zinc/48/50/04/343485004.db2.gz PQRIQVRJHQBOSN-SNVBAGLBSA-N 0 0 196.271 2.634 10 0 AFAERN C/C=C/COc1ccc(C)cc1 70234480 343485010 /nfs/dbraw/zinc/48/50/10/343485010.db2.gz XBTGUUPOEOZDBQ-ONEGZZNKSA-N 0 0 162.232 2.950 10 0 AFAERN Cc1cccc(OCc2ccno2)c1 70233786 343485024 /nfs/dbraw/zinc/48/50/24/343485024.db2.gz WJQNSVUQSTZKMF-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN Cc1cccc2[nH]c(C(F)F)nc12 70234924 343485038 /nfs/dbraw/zinc/48/50/38/343485038.db2.gz AXERMZWHSBIYDZ-UHFFFAOYSA-N 0 0 182.173 2.809 10 0 AFAERN Cc1ccc(OCc2ccno2)cc1 70233784 343485063 /nfs/dbraw/zinc/48/50/63/343485063.db2.gz CFQDFHAOAONBSZ-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN O=C1CC[C@H](SCc2ccco2)C1 70234178 343485065 /nfs/dbraw/zinc/48/50/65/343485065.db2.gz PQRIQVRJHQBOSN-JTQLQIEISA-N 0 0 196.271 2.634 10 0 AFAERN CC[C@@H](C)S[C@@H]1CCC(=O)C1 70234194 343485069 /nfs/dbraw/zinc/48/50/69/343485069.db2.gz KYQONQYEIUCEQF-VXNVDRBHSA-N 0 0 172.293 2.640 10 0 AFAERN Cc1ccccc1OCc1ccno1 70233788 343485091 /nfs/dbraw/zinc/48/50/91/343485091.db2.gz POCGDGXDEPRPOQ-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN C[C@H]1C[C@@H]1c1nc2c(F)cccc2[nH]1 70235071 343485096 /nfs/dbraw/zinc/48/50/96/343485096.db2.gz ITRYZQOTYQCEIH-BQBZGAKWSA-N 0 0 190.221 2.825 10 0 AFAERN C[C@@H]1C[C@H]1c1nc2c(F)cccc2[nH]1 70235072 343485099 /nfs/dbraw/zinc/48/50/99/343485099.db2.gz ITRYZQOTYQCEIH-RNFRBKRXSA-N 0 0 190.221 2.825 10 0 AFAERN Fc1ccc2[nH]c(C(F)F)nc2c1 70234982 343485103 /nfs/dbraw/zinc/48/51/03/343485103.db2.gz CIZFPHCYRGVRMX-UHFFFAOYSA-N 0 0 186.136 2.640 10 0 AFAERN C[C@@H]1C[C@@H]1c1nc2c(F)cccc2[nH]1 70235070 343485108 /nfs/dbraw/zinc/48/51/08/343485108.db2.gz ITRYZQOTYQCEIH-RQJHMYQMSA-N 0 0 190.221 2.825 10 0 AFAERN Cc1cccc2[nH]c(C3CC3)nc12 70234927 343485116 /nfs/dbraw/zinc/48/51/16/343485116.db2.gz XGEGMABEXIDHCZ-UHFFFAOYSA-N 0 0 172.231 2.749 10 0 AFAERN CC(C)OCCOc1ccccc1F 70233608 343485142 /nfs/dbraw/zinc/48/51/42/343485142.db2.gz HHLXRONQKRRCHZ-UHFFFAOYSA-N 0 0 198.237 2.630 10 0 AFAERN CC[C@H](C)S[C@H]1CCC(=O)C1 70234199 343485159 /nfs/dbraw/zinc/48/51/59/343485159.db2.gz KYQONQYEIUCEQF-CBAPKCEASA-N 0 0 172.293 2.640 10 0 AFAERN CC[C@H](C)S[C@@H]1CCC(=O)C1 70234196 343485162 /nfs/dbraw/zinc/48/51/62/343485162.db2.gz KYQONQYEIUCEQF-IONNQARKSA-N 0 0 172.293 2.640 10 0 AFAERN c1ccc(OCc2cscn2)cc1 70234552 343485181 /nfs/dbraw/zinc/48/51/81/343485181.db2.gz MLMZDZUCEJPEKK-UHFFFAOYSA-N 0 0 191.255 2.722 10 0 AFAERN Fc1cccc2[nH]c(C(F)F)nc12 70235049 343485187 /nfs/dbraw/zinc/48/51/87/343485187.db2.gz QGYAHICAXQQVJV-UHFFFAOYSA-N 0 0 186.136 2.640 10 0 AFAERN CC[C@@H](C)S[C@H]1CCC(=O)C1 70234197 343485234 /nfs/dbraw/zinc/48/52/34/343485234.db2.gz KYQONQYEIUCEQF-APPZFPTMSA-N 0 0 172.293 2.640 10 0 AFAERN CCOCCOc1ccc(C)cc1C 70233679 343485278 /nfs/dbraw/zinc/48/52/78/343485278.db2.gz AXZVCLQFPQHCHD-UHFFFAOYSA-N 0 0 194.274 2.719 10 0 AFAERN C/C=C/COc1cccc(F)c1 70234584 343485303 /nfs/dbraw/zinc/48/53/03/343485303.db2.gz QHAMBCZKSXTNTP-NSCUHMNNSA-N 0 0 166.195 2.781 10 0 AFAERN Fc1cccc(OCc2ccco2)c1 70234583 343485322 /nfs/dbraw/zinc/48/53/22/343485322.db2.gz RTROQCVMASVOGN-UHFFFAOYSA-N 0 0 192.189 2.998 10 0 AFAERN Fc1cccc2[nH]c(C3CCC3)nc12 70235061 343485334 /nfs/dbraw/zinc/48/53/34/343485334.db2.gz DYCUTBWQWHXFCX-UHFFFAOYSA-N 0 0 190.221 2.970 10 0 AFAERN C[C@H]1C[C@H]1c1nc2c(F)cccc2[nH]1 70235073 343485347 /nfs/dbraw/zinc/48/53/47/343485347.db2.gz ITRYZQOTYQCEIH-NKWVEPMBSA-N 0 0 190.221 2.825 10 0 AFAERN Cc1cc(C)c(OCC2CC2)c(N)c1 70266506 343485593 /nfs/dbraw/zinc/48/55/93/343485593.db2.gz MVTVNFSSWHATKG-UHFFFAOYSA-N 0 0 191.274 2.674 10 0 AFAERN Cc1ccc(N)c(C)c1OCC1CC1 70266255 343485666 /nfs/dbraw/zinc/48/56/66/343485666.db2.gz YZLBVXBLUOXHBB-UHFFFAOYSA-N 0 0 191.274 2.674 10 0 AFAERN CCCc1nc2cc(F)ccc2[nH]1 70268766 343486748 /nfs/dbraw/zinc/48/67/48/343486748.db2.gz MOBZCYBRQMHBNL-UHFFFAOYSA-N 0 0 178.210 2.655 10 0 AFAERN CSCCC(=O)c1ccc(C)cc1 70436990 343486991 /nfs/dbraw/zinc/48/69/91/343486991.db2.gz BLEVNIHDOCGEGU-UHFFFAOYSA-N 0 0 194.299 2.931 10 0 AFAERN Cc1cc(C(=O)C(C)(C)C)ccc1N 70483776 343487899 /nfs/dbraw/zinc/48/78/99/343487899.db2.gz LPMQRRCQZCPLAL-UHFFFAOYSA-N 0 0 191.274 2.806 10 0 AFAERN CC(C)C(=O)c1ccc(N)cc1Cl 70484432 343487904 /nfs/dbraw/zinc/48/79/04/343487904.db2.gz KOXPJPQKUXIGNS-UHFFFAOYSA-N 0 0 197.665 2.761 10 0 AFAERN CC(C)C[C@@H]1OC(=O)c2ccccc21 70453594 343488069 /nfs/dbraw/zinc/48/80/69/343488069.db2.gz PBYDISOWXMCXIU-NSHDSACASA-N 0 0 190.242 2.944 10 0 AFAERN CC(C)C[C@H]1OC(=O)c2ccccc21 70453593 343488128 /nfs/dbraw/zinc/48/81/28/343488128.db2.gz PBYDISOWXMCXIU-LLVKDONJSA-N 0 0 190.242 2.944 10 0 AFAERN CC(C)(C)C(=O)c1ccc(N)c(F)c1 70483893 343488163 /nfs/dbraw/zinc/48/81/63/343488163.db2.gz SYGVLZIJOKLAAN-UHFFFAOYSA-N 0 0 195.237 2.637 10 0 AFAERN C[C@@H](CC1CC1)Nc1ccccc1N 70531639 343488844 /nfs/dbraw/zinc/48/88/44/343488844.db2.gz RHLXXTGJZPMYIY-VIFPVBQESA-N 0 0 190.290 2.869 10 0 AFAERN CC(C)Cc1cc(Cl)cnc1N 70531697 343489180 /nfs/dbraw/zinc/48/91/80/343489180.db2.gz MRYUALYENKYIDV-UHFFFAOYSA-N 0 0 184.670 2.516 10 0 AFAERN Cc1cc(C(=O)CC(C)C)ccc1N 70536004 343489497 /nfs/dbraw/zinc/48/94/97/343489497.db2.gz QNOGIHYUXHXEPJ-UHFFFAOYSA-N 0 0 191.274 2.806 10 0 AFAERN CCCC(=O)c1ccc(N)cc1C 70536006 343489639 /nfs/dbraw/zinc/48/96/39/343489639.db2.gz MCDVSLBKLVZSET-UHFFFAOYSA-N 0 0 177.247 2.560 10 0 AFAERN Nc1ncccc1C1CCCCC1 70535035 343489704 /nfs/dbraw/zinc/48/97/04/343489704.db2.gz TYGATOZOHGAPIW-UHFFFAOYSA-N 0 0 176.263 2.712 10 0 AFAERN CC(C)C(=O)c1ccc(N)c(Cl)c1 70536005 343489757 /nfs/dbraw/zinc/48/97/57/343489757.db2.gz JRYGEMUYWAWDQE-UHFFFAOYSA-N 0 0 197.665 2.761 10 0 AFAERN Cc1cc(N)ccc1C(=O)C(C)(C)C 70559792 343490928 /nfs/dbraw/zinc/49/09/28/343490928.db2.gz KMDXJFLPMWNPRU-UHFFFAOYSA-N 0 0 191.274 2.806 10 0 AFAERN CCC(=O)c1ccc(N)cc1Cl 70559793 343490984 /nfs/dbraw/zinc/49/09/84/343490984.db2.gz DQPDVSRLXIOKAO-UHFFFAOYSA-N 0 0 183.638 2.515 10 0 AFAERN CC[C@H]1CCC[C@H](Nc2cn[nH]c2)C1 70562406 343491687 /nfs/dbraw/zinc/49/16/87/343491687.db2.gz YTSWBPCFYNNURX-UWVGGRQHSA-N 0 0 193.294 2.790 10 0 AFAERN CC[C@H]1CCC[C@H](n2nccc2N)C1 70563046 343491733 /nfs/dbraw/zinc/49/17/33/343491733.db2.gz QZGXJGHECNNKJY-UWVGGRQHSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@@H]1CCC[C@H](Nc2cn[nH]c2)C1 70562405 343491771 /nfs/dbraw/zinc/49/17/71/343491771.db2.gz YTSWBPCFYNNURX-ZJUUUORDSA-N 0 0 193.294 2.790 10 0 AFAERN CC[C@@H]1CCC[C@@H](Nc2cn[nH]c2)C1 70562407 343491774 /nfs/dbraw/zinc/49/17/74/343491774.db2.gz YTSWBPCFYNNURX-NXEZZACHSA-N 0 0 193.294 2.790 10 0 AFAERN CC[C@H]1CCC[C@@H](Nc2cn[nH]c2)C1 70562408 343491879 /nfs/dbraw/zinc/49/18/79/343491879.db2.gz YTSWBPCFYNNURX-VHSXEESVSA-N 0 0 193.294 2.790 10 0 AFAERN CC[C@@H]1CCC[C@@H](n2nccc2N)C1 70563047 343491901 /nfs/dbraw/zinc/49/19/01/343491901.db2.gz QZGXJGHECNNKJY-NXEZZACHSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@@H]1CCC[C@H](n2nccc2N)C1 70563045 343491942 /nfs/dbraw/zinc/49/19/42/343491942.db2.gz QZGXJGHECNNKJY-ZJUUUORDSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@H]1CCC[C@@H](n2nccc2N)C1 70563048 343491966 /nfs/dbraw/zinc/49/19/66/343491966.db2.gz QZGXJGHECNNKJY-VHSXEESVSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@@H]1CCC[C@@](O)(C(F)(F)F)C1 70563760 343492318 /nfs/dbraw/zinc/49/23/18/343492318.db2.gz JWNCJLTXYMBCIN-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@@H]1CCC[C@]2(CC(=O)CCO2)C1 70563888 343492345 /nfs/dbraw/zinc/49/23/45/343492345.db2.gz ITDXONTYMDQVFG-ZYHUDNBSSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@H]1CCC[C@@](O)(C(F)(F)F)C1 70563761 343492355 /nfs/dbraw/zinc/49/23/55/343492355.db2.gz JWNCJLTXYMBCIN-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@H]1CCC[C@@](N)(C(F)(F)F)C1 70563869 343492363 /nfs/dbraw/zinc/49/23/63/343492363.db2.gz VBQLNRGHXHJTOR-YUMQZZPRSA-N 0 0 195.228 2.846 10 0 AFAERN CC[C@H]1CCC[C@@]2(CC(=O)CCO2)C1 70563891 343492376 /nfs/dbraw/zinc/49/23/76/343492376.db2.gz ITDXONTYMDQVFG-JQWIXIFHSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H]1CCC[C@@]2(CC(=O)CCO2)C1 70563890 343492390 /nfs/dbraw/zinc/49/23/90/343492390.db2.gz ITDXONTYMDQVFG-PWSUYJOCSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@](C)(O)[C@H]1CCC[C@H](C)C1 70565626 343492719 /nfs/dbraw/zinc/49/27/19/343492719.db2.gz SXFJXRBJQCSEKW-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1CCC[C@H]([C@@H](C)O)C1 70565960 343492781 /nfs/dbraw/zinc/49/27/81/343492781.db2.gz OXULJEUHOOOODE-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1CCC[C@H](C(=O)C2CC2)C1 70566264 343492784 /nfs/dbraw/zinc/49/27/84/343492784.db2.gz VPHHUKUIXYTCPH-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H]1CCC[C@H](C(C)=O)C1 70566253 343492797 /nfs/dbraw/zinc/49/27/97/343492797.db2.gz UVCKWWUWDNQUEU-UWVGGRQHSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H]1CCC[C@H](C(C)=O)C1 70566252 343492803 /nfs/dbraw/zinc/49/28/03/343492803.db2.gz UVCKWWUWDNQUEU-ZJUUUORDSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H]1CCC[C@@H]([C@H](O)C2CC2)C1 70565918 343492828 /nfs/dbraw/zinc/49/28/28/343492828.db2.gz ATZZUOAZXCERGW-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@H]1CCC[C@H]([C@@H](C)O)C1 70565961 343492829 /nfs/dbraw/zinc/49/28/29/343492829.db2.gz OXULJEUHOOOODE-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1CCC[C@H](C(=O)C2CC2)C1 70566265 343492833 /nfs/dbraw/zinc/49/28/33/343492833.db2.gz VPHHUKUIXYTCPH-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CCC[C@@H](C(=O)C(F)(F)F)C1 70566379 343492865 /nfs/dbraw/zinc/49/28/65/343492865.db2.gz QLYQVRUPJNOUJL-NKWVEPMBSA-N 0 0 194.196 2.944 10 0 AFAERN CC[C@H]1CCC[C@@H]([C@@H](C)O)C1 70565963 343492869 /nfs/dbraw/zinc/49/28/69/343492869.db2.gz OXULJEUHOOOODE-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1CCC[C@H]([C@H](O)CC)C1 70565964 343492871 /nfs/dbraw/zinc/49/28/71/343492871.db2.gz CQPJANURLUDNPL-OUAUKWLOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H]1CCC[C@H]([C@H](O)CC)C1 70565965 343492891 /nfs/dbraw/zinc/49/28/91/343492891.db2.gz CQPJANURLUDNPL-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@H](C(=O)C(F)(F)F)C1 70566376 343492910 /nfs/dbraw/zinc/49/29/10/343492910.db2.gz QLYQVRUPJNOUJL-RQJHMYQMSA-N 0 0 194.196 2.944 10 0 AFAERN CC[C@@H]1CCC[C@@H](C(C)=O)C1 70566254 343492918 /nfs/dbraw/zinc/49/29/18/343492918.db2.gz UVCKWWUWDNQUEU-NXEZZACHSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@](C)(O)[C@@H]1CCC[C@H](C)C1 70565624 343492928 /nfs/dbraw/zinc/49/29/28/343492928.db2.gz SXFJXRBJQCSEKW-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@@H](C(=O)C(F)(F)F)C1 70566378 343492935 /nfs/dbraw/zinc/49/29/35/343492935.db2.gz QLYQVRUPJNOUJL-RNFRBKRXSA-N 0 0 194.196 2.944 10 0 AFAERN C[C@@H]1CCC[C@@H](C(=O)C2CC2)C1 70566266 343492940 /nfs/dbraw/zinc/49/29/40/343492940.db2.gz VPHHUKUIXYTCPH-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H]1CCC[C@@H]([C@@H](C)O)C1 70565962 343492944 /nfs/dbraw/zinc/49/29/44/343492944.db2.gz OXULJEUHOOOODE-OPRDCNLKSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1CCC[C@@H]([C@H](O)CC)C1 70565966 343492950 /nfs/dbraw/zinc/49/29/50/343492950.db2.gz CQPJANURLUDNPL-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1CCC[C@H]([C@H](O)C2CC2)C1 70565916 343492954 /nfs/dbraw/zinc/49/29/54/343492954.db2.gz ATZZUOAZXCERGW-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H]1CCC[C@H](C(=O)C(F)(F)F)C1 70566377 343492983 /nfs/dbraw/zinc/49/29/83/343492983.db2.gz QLYQVRUPJNOUJL-BQBZGAKWSA-N 0 0 194.196 2.944 10 0 AFAERN C[C@H]1CCC[C@@H](C(=O)C2CC2)C1 70566267 343492989 /nfs/dbraw/zinc/49/29/89/343492989.db2.gz VPHHUKUIXYTCPH-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H]1CCC[C@@H]([C@H](O)CC)C1 70565967 343492991 /nfs/dbraw/zinc/49/29/91/343492991.db2.gz CQPJANURLUDNPL-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H]1CCC[C@@H](C(C)=O)C1 70566255 343492995 /nfs/dbraw/zinc/49/29/95/343492995.db2.gz UVCKWWUWDNQUEU-VHSXEESVSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H]1CCC[C@@H](n2ccnc2)C1 70567775 343493215 /nfs/dbraw/zinc/49/32/15/343493215.db2.gz NQVHMCGOLGALHY-VHSXEESVSA-N 0 0 164.252 2.634 10 0 AFAERN C[C@H]1CCC[C@H](n2ccnc2)C1 70567773 343493233 /nfs/dbraw/zinc/49/32/33/343493233.db2.gz NQVHMCGOLGALHY-UWVGGRQHSA-N 0 0 164.252 2.634 10 0 AFAERN C[C@@H]1CCC[C@H](n2ccnc2)C1 70567772 343493247 /nfs/dbraw/zinc/49/32/47/343493247.db2.gz NQVHMCGOLGALHY-ZJUUUORDSA-N 0 0 164.252 2.634 10 0 AFAERN Cc1nccn1[C@@H]1CCC[C@H](C)C1 70567780 343493304 /nfs/dbraw/zinc/49/33/04/343493304.db2.gz LJTKOYAMBNZHRM-GXSJLCMTSA-N 0 0 178.279 2.943 10 0 AFAERN Cc1nccn1[C@H]1CCC[C@@H](C)C1 70567783 343493340 /nfs/dbraw/zinc/49/33/40/343493340.db2.gz LJTKOYAMBNZHRM-KOLCDFICSA-N 0 0 178.279 2.943 10 0 AFAERN C[C@@H]1CCC[C@@H](n2ccnc2)C1 70567774 343493426 /nfs/dbraw/zinc/49/34/26/343493426.db2.gz NQVHMCGOLGALHY-NXEZZACHSA-N 0 0 164.252 2.634 10 0 AFAERN Cc1nccn1[C@@H]1CCC[C@@H](C)C1 70567782 343493430 /nfs/dbraw/zinc/49/34/30/343493430.db2.gz LJTKOYAMBNZHRM-MWLCHTKSSA-N 0 0 178.279 2.943 10 0 AFAERN Cc1nccn1[C@H]1CCC[C@H](C)C1 70567781 343493437 /nfs/dbraw/zinc/49/34/37/343493437.db2.gz LJTKOYAMBNZHRM-ONGXEEELSA-N 0 0 178.279 2.943 10 0 AFAERN CC[C@@H]1CCCc2cc(Cl)nnc21 70567986 343493707 /nfs/dbraw/zinc/49/37/07/343493707.db2.gz XFOCKZILPAJXGP-SSDOTTSWSA-N 0 0 196.681 2.960 10 0 AFAERN CCNc1n[nH]c2c1CCC[C@H]2CC 70568242 343493710 /nfs/dbraw/zinc/49/37/10/343493710.db2.gz DAXYDDZBRKGZTL-MRVPVSSYSA-N 0 0 193.294 2.671 10 0 AFAERN CC[C@H]1CCCc2cc(Cl)nnc21 70567987 343493768 /nfs/dbraw/zinc/49/37/68/343493768.db2.gz XFOCKZILPAJXGP-ZETCQYMHSA-N 0 0 196.681 2.960 10 0 AFAERN CCNc1n[nH]c2c1CCC[C@@H]2CC 70568243 343493769 /nfs/dbraw/zinc/49/37/69/343493769.db2.gz DAXYDDZBRKGZTL-QMMMGPOBSA-N 0 0 193.294 2.671 10 0 AFAERN C[C@H]1CCC[C@@H](c2cccnc2N)C1 70567819 343493808 /nfs/dbraw/zinc/49/38/08/343493808.db2.gz HHNBDFOLXZXXFH-VHSXEESVSA-N 0 0 190.290 2.958 10 0 AFAERN C[C@@H]1CCC[C@@H](c2cccnc2N)C1 70567818 343493859 /nfs/dbraw/zinc/49/38/59/343493859.db2.gz HHNBDFOLXZXXFH-NXEZZACHSA-N 0 0 190.290 2.958 10 0 AFAERN C[C@@H]1CCC[C@H](c2cccnc2N)C1 70567816 343493862 /nfs/dbraw/zinc/49/38/62/343493862.db2.gz HHNBDFOLXZXXFH-ZJUUUORDSA-N 0 0 190.290 2.958 10 0 AFAERN C[C@H]1CCC[C@H](c2cccnc2N)C1 70567817 343493892 /nfs/dbraw/zinc/49/38/92/343493892.db2.gz HHNBDFOLXZXXFH-UWVGGRQHSA-N 0 0 190.290 2.958 10 0 AFAERN CC[C@H]1CCCC[C@]1(N)C(F)(F)F 70569049 343493940 /nfs/dbraw/zinc/49/39/40/343493940.db2.gz QAGBIQBUECPLNU-JGVFFNPUSA-N 0 0 195.228 2.846 10 0 AFAERN CC[C@@H]1CCCC[C@]1(N)C(F)(F)F 70569048 343493954 /nfs/dbraw/zinc/49/39/54/343493954.db2.gz QAGBIQBUECPLNU-HTQZYQBOSA-N 0 0 195.228 2.846 10 0 AFAERN CC[C@H]1CCCC[C@@]1(O)C(C)C 70568723 343494063 /nfs/dbraw/zinc/49/40/63/343494063.db2.gz QHRVNFUCBVIPLH-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1CCCC[C@@]1(O)C(C)C 70568722 343494127 /nfs/dbraw/zinc/49/41/27/343494127.db2.gz QHRVNFUCBVIPLH-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1CCCC[C@@]1(N)C(F)(F)F 70569050 343494084 /nfs/dbraw/zinc/49/40/84/343494084.db2.gz QAGBIQBUECPLNU-SFYZADRCSA-N 0 0 195.228 2.846 10 0 AFAERN CC[C@@H]1CCCC[C@]1(O)C(C)C 70568720 343494163 /nfs/dbraw/zinc/49/41/63/343494163.db2.gz QHRVNFUCBVIPLH-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H]1CCCC[C@@]1(N)C(F)(F)F 70569051 343494170 /nfs/dbraw/zinc/49/41/70/343494170.db2.gz QAGBIQBUECPLNU-YUMQZZPRSA-N 0 0 195.228 2.846 10 0 AFAERN CC[C@H]1CCCC[C@]1(O)C(C)C 70568721 343494270 /nfs/dbraw/zinc/49/42/70/343494270.db2.gz QHRVNFUCBVIPLH-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN C=Cc1nc(-c2ccccc2F)no1 70580986 343494509 /nfs/dbraw/zinc/49/45/09/343494509.db2.gz FASHRKYOONVJAW-UHFFFAOYSA-N 0 0 190.177 2.519 10 0 AFAERN CC(C)(C)c1ccccc1NC#N 70569839 343494625 /nfs/dbraw/zinc/49/46/25/343494625.db2.gz IXXMJGLQNSNSFG-UHFFFAOYSA-N 0 0 174.247 2.877 10 0 AFAERN C=Cc1nc(-c2cccc(F)c2)no1 70580968 343494684 /nfs/dbraw/zinc/49/46/84/343494684.db2.gz CHJYTTGEEGNFBH-UHFFFAOYSA-N 0 0 190.177 2.519 10 0 AFAERN C[C@H]1CCC[C@H](c2nc(Cl)n[nH]2)C1 70584127 343496408 /nfs/dbraw/zinc/49/64/08/343496408.db2.gz ZESKBVGBQAGDAA-BQBZGAKWSA-N 0 0 199.685 2.752 10 0 AFAERN C[C@H]1CCC[C@@H](c2nc(Cl)n[nH]2)C1 70584129 343496509 /nfs/dbraw/zinc/49/65/09/343496509.db2.gz ZESKBVGBQAGDAA-NKWVEPMBSA-N 0 0 199.685 2.752 10 0 AFAERN CC1CCC(c2nc(Cl)n[nH]2)CC1 70584146 343496512 /nfs/dbraw/zinc/49/65/12/343496512.db2.gz ANAIWPKTSPMBBZ-UHFFFAOYSA-N 0 0 199.685 2.752 10 0 AFAERN C[C@@H]1CCC[C@H](c2nc(Cl)n[nH]2)C1 70584126 343496588 /nfs/dbraw/zinc/49/65/88/343496588.db2.gz ZESKBVGBQAGDAA-RQJHMYQMSA-N 0 0 199.685 2.752 10 0 AFAERN C[C@@H]1CCC[C@@H](c2nc(Cl)n[nH]2)C1 70584128 343496728 /nfs/dbraw/zinc/49/67/28/343496728.db2.gz ZESKBVGBQAGDAA-RNFRBKRXSA-N 0 0 199.685 2.752 10 0 AFAERN Nc1cc(F)cc(SC(F)F)c1 70589032 343498775 /nfs/dbraw/zinc/49/87/75/343498775.db2.gz ZZECWSSHNHQPBW-UHFFFAOYSA-N 0 0 193.193 2.723 10 0 AFAERN CC[C@@H](C)c1ccnc(NC2CC2)n1 70597441 343500648 /nfs/dbraw/zinc/50/06/48/343500648.db2.gz URFYWWFHJMCBNA-MRVPVSSYSA-N 0 0 191.278 2.564 10 0 AFAERN CC[C@H](C)c1csc(=S)[nH]1 70598234 343500770 /nfs/dbraw/zinc/50/07/70/343500770.db2.gz CEZYBYWCIDYTPK-YFKPBYRVSA-N 0 0 173.306 2.945 10 0 AFAERN CC[C@H](C)c1ccnc(NC2CC2)n1 70597442 343500805 /nfs/dbraw/zinc/50/08/05/343500805.db2.gz URFYWWFHJMCBNA-QMMMGPOBSA-N 0 0 191.278 2.564 10 0 AFAERN CC[C@H]1CCc2[nH]c(=S)sc2C1 70598212 343500887 /nfs/dbraw/zinc/50/08/87/343500887.db2.gz OXSLQQSKJDBICU-LURJTMIESA-N 0 0 199.344 2.947 10 0 AFAERN CC[C@@H](C)c1csc(=S)[nH]1 70598233 343500921 /nfs/dbraw/zinc/50/09/21/343500921.db2.gz CEZYBYWCIDYTPK-RXMQYKEDSA-N 0 0 173.306 2.945 10 0 AFAERN CC[C@@H]1CCc2[nH]c(=S)sc2C1 70598211 343500934 /nfs/dbraw/zinc/50/09/34/343500934.db2.gz OXSLQQSKJDBICU-ZCFIWIBFSA-N 0 0 199.344 2.947 10 0 AFAERN C[C@@H]1CCCc2sc(=S)[nH]c21 70598279 343501024 /nfs/dbraw/zinc/50/10/24/343501024.db2.gz GDIUVZLPNKLVCC-RXMQYKEDSA-N 0 0 185.317 2.872 10 0 AFAERN C[C@H]1CCc2[nH]c(=S)sc2C1 70598303 343501207 /nfs/dbraw/zinc/50/12/07/343501207.db2.gz UHQHZKDEFNKTNV-YFKPBYRVSA-N 0 0 185.317 2.557 10 0 AFAERN C[C@H]1CCCc2sc(=S)[nH]c21 70598280 343501318 /nfs/dbraw/zinc/50/13/18/343501318.db2.gz GDIUVZLPNKLVCC-YFKPBYRVSA-N 0 0 185.317 2.872 10 0 AFAERN CCCC1=NC(=S)SC1CC 70598312 343501470 /nfs/dbraw/zinc/50/14/70/343501470.db2.gz RPUMSMIZMCYTIM-UHFFFAOYSA-N 0 0 187.333 2.947 10 0 AFAERN C[C@H]1CCCN1c1ccc(C=O)s1 70609284 343501671 /nfs/dbraw/zinc/50/16/71/343501671.db2.gz RPALZCBHEIMRTB-QMMMGPOBSA-N 0 0 195.287 2.549 10 0 AFAERN CC(=O)c1ccc(N(C)C)cc1Cl 70603072 343501862 /nfs/dbraw/zinc/50/18/62/343501862.db2.gz VYJBXHFUWFSRNJ-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN C[C@@H]1CCCN1c1ccc(C=O)s1 70609283 343502020 /nfs/dbraw/zinc/50/20/20/343502020.db2.gz RPALZCBHEIMRTB-MRVPVSSYSA-N 0 0 195.287 2.549 10 0 AFAERN Fc1ccc(-c2cc[nH]n2)c(Cl)c1 70602960 343502065 /nfs/dbraw/zinc/50/20/65/343502065.db2.gz SCVJFIOQRZYZDK-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN CC[NH2+][C@@H](C)c1ccc([S-])cc1 70621092 343504687 /nfs/dbraw/zinc/50/46/87/343504687.db2.gz ZUAHGHZOFYZPGI-QMMMGPOBSA-N 0 0 181.304 2.646 10 0 AFAERN Cc1coc(-c2cccc(N)c2C)n1 70622240 343505631 /nfs/dbraw/zinc/50/56/31/343505631.db2.gz QTTKRSVQXHLEKQ-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1coc(-c2cccc(C)c2N)n1 70622248 343505703 /nfs/dbraw/zinc/50/57/03/343505703.db2.gz GOYWLGOYYIPNHH-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1coc(-c2c(C)cccc2N)n1 70622245 343505780 /nfs/dbraw/zinc/50/57/80/343505780.db2.gz GVEZLIAJGNNWLS-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1coc(-c2ccc(N)cc2C)n1 70622249 343505838 /nfs/dbraw/zinc/50/58/38/343505838.db2.gz ITEZOGUFHKUSNF-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1coc(-c2ccc(N)c(C)c2)n1 70622239 343505861 /nfs/dbraw/zinc/50/58/61/343505861.db2.gz VSZTWOZDHNDDIG-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC[C@@H](C)Nc1ccc(O)cc1C 70634928 343511231 /nfs/dbraw/zinc/51/12/31/343511231.db2.gz PZOGDBWXBQLLTD-SECBINFHSA-N 0 0 179.263 2.911 10 0 AFAERN Cc1cc(O)ccc1NC1CCC1 70634898 343511247 /nfs/dbraw/zinc/51/12/47/343511247.db2.gz BSKXJXKQPKKCHZ-UHFFFAOYSA-N 0 0 177.247 2.665 10 0 AFAERN CC[C@H](C)Nc1ccc(O)cc1C 70634930 343511345 /nfs/dbraw/zinc/51/13/45/343511345.db2.gz PZOGDBWXBQLLTD-VIFPVBQESA-N 0 0 179.263 2.911 10 0 AFAERN Cc1cc(O)ccc1N[C@@H](C)C1CC1 70634854 343511384 /nfs/dbraw/zinc/51/13/84/343511384.db2.gz ZPMMQUNQAQZNCT-VIFPVBQESA-N 0 0 191.274 2.911 10 0 AFAERN Cc1cc(O)ccc1N[C@H](C)C1CC1 70634855 343511459 /nfs/dbraw/zinc/51/14/59/343511459.db2.gz ZPMMQUNQAQZNCT-SECBINFHSA-N 0 0 191.274 2.911 10 0 AFAERN Cc1cc(O)ccc1NC(C)C 70634896 343511545 /nfs/dbraw/zinc/51/15/45/343511545.db2.gz JUWCZOHXSYIFMS-UHFFFAOYSA-N 0 0 165.236 2.521 10 0 AFAERN C[C@@H]1CC[C@H](Nc2cccc(O)c2)C1 70642929 343514433 /nfs/dbraw/zinc/51/44/33/343514433.db2.gz CXJHFKZMOPNVBD-KOLCDFICSA-N 0 0 191.274 2.993 10 0 AFAERN C[C@H]1CC[C@@H](Nc2cccc(O)c2)C1 70642932 343514492 /nfs/dbraw/zinc/51/44/92/343514492.db2.gz CXJHFKZMOPNVBD-GXSJLCMTSA-N 0 0 191.274 2.993 10 0 AFAERN C[C@H]1CC[C@H](Nc2cccc(O)c2)C1 70642930 343514582 /nfs/dbraw/zinc/51/45/82/343514582.db2.gz CXJHFKZMOPNVBD-ONGXEEELSA-N 0 0 191.274 2.993 10 0 AFAERN C[C@@H]1CC[C@@H](Nc2cccc(O)c2)C1 70642931 343514679 /nfs/dbraw/zinc/51/46/79/343514679.db2.gz CXJHFKZMOPNVBD-MWLCHTKSSA-N 0 0 191.274 2.993 10 0 AFAERN C[C@H]1CC[C@H](Nc2ccc(O)cc2)C1 70643226 343514909 /nfs/dbraw/zinc/51/49/09/343514909.db2.gz ZTEKELLNLZQFBD-ONGXEEELSA-N 0 0 191.274 2.993 10 0 AFAERN C[C@H]1CC[C@@H](Nc2ccc(O)cc2)C1 70643228 343514999 /nfs/dbraw/zinc/51/49/99/343514999.db2.gz ZTEKELLNLZQFBD-GXSJLCMTSA-N 0 0 191.274 2.993 10 0 AFAERN C[C@@H]1CC[C@H](Nc2ccc(O)cc2)C1 70643225 343515060 /nfs/dbraw/zinc/51/50/60/343515060.db2.gz ZTEKELLNLZQFBD-KOLCDFICSA-N 0 0 191.274 2.993 10 0 AFAERN C[C@@H]1CC[C@@H](Nc2ccc(O)cc2)C1 70643227 343515143 /nfs/dbraw/zinc/51/51/43/343515143.db2.gz ZTEKELLNLZQFBD-MWLCHTKSSA-N 0 0 191.274 2.993 10 0 AFAERN CC[C@@H]1CC[C@H](n2ncc(C)c2N)C1 70644318 343515373 /nfs/dbraw/zinc/51/53/73/343515373.db2.gz QPNPZIDJXAGMOU-ZJUUUORDSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@H]1CC[C@H](n2ncc(C)c2N)C1 70644319 343515388 /nfs/dbraw/zinc/51/53/88/343515388.db2.gz QPNPZIDJXAGMOU-UWVGGRQHSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@H]1CC[C@@H](n2ncc(C)c2N)C1 70644321 343515416 /nfs/dbraw/zinc/51/54/16/343515416.db2.gz QPNPZIDJXAGMOU-VHSXEESVSA-N 0 0 193.294 2.525 10 0 AFAERN CCCCC[C@@H]1CC[C@@H](O)C1 70651339 343519269 /nfs/dbraw/zinc/51/92/69/343519269.db2.gz CAWGTBOWXFZUED-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CCCCC[C@H]1CC[C@@H](O)C1 70651340 343519140 /nfs/dbraw/zinc/51/91/40/343519140.db2.gz CAWGTBOWXFZUED-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1c[nH]c(-c2cccc(F)c2)n1 70651377 343519278 /nfs/dbraw/zinc/51/92/78/343519278.db2.gz BJAOBYGIXIWBMM-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN CCCCC[C@@H]1CC[C@H](O)C1 70651338 343519523 /nfs/dbraw/zinc/51/95/23/343519523.db2.gz CAWGTBOWXFZUED-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CNc1nc2c(s1)CC(C)(C)CC2 70653841 343519855 /nfs/dbraw/zinc/51/98/55/343519855.db2.gz KNXTXCZZLMSIKD-UHFFFAOYSA-N 0 0 196.319 2.700 10 0 AFAERN Cc1c[nH]c(-c2cc(F)ccc2C)n1 70653282 343519885 /nfs/dbraw/zinc/51/98/85/343519885.db2.gz KPVSZJXCSPYEBL-UHFFFAOYSA-N 0 0 190.221 2.833 10 0 AFAERN Cc1c[nH]c(-c2ccc(F)c(C)c2)n1 70653272 343519901 /nfs/dbraw/zinc/51/99/01/343519901.db2.gz ZXZXKOSNSDIRSM-UHFFFAOYSA-N 0 0 190.221 2.833 10 0 AFAERN C[C@@]1(c2ccc(F)cc2Cl)CO1 70652645 343519911 /nfs/dbraw/zinc/51/99/11/343519911.db2.gz GSDKROFLTSIMLC-VIFPVBQESA-N 0 0 186.613 2.725 10 0 AFAERN Cc1c[nH]c(-c2ccc(F)c(F)c2)n1 70653277 343519936 /nfs/dbraw/zinc/51/99/36/343519936.db2.gz AJEKLHSEVQJSRH-UHFFFAOYSA-N 0 0 194.184 2.663 10 0 AFAERN CC1(C)CCC(Nc2cn[nH]c2)CC1 70654010 343520001 /nfs/dbraw/zinc/52/00/01/343520001.db2.gz QLJQMCTUPHEQQR-UHFFFAOYSA-N 0 0 193.294 2.790 10 0 AFAERN C[C@]1(c2ccc(F)cc2Cl)CO1 70652644 343520008 /nfs/dbraw/zinc/52/00/08/343520008.db2.gz GSDKROFLTSIMLC-SECBINFHSA-N 0 0 186.613 2.725 10 0 AFAERN Cc1c[nH]c(-c2cc(F)cc(F)c2)n1 70653279 343520021 /nfs/dbraw/zinc/52/00/21/343520021.db2.gz GSMRGCJEHPRCDX-UHFFFAOYSA-N 0 0 194.184 2.663 10 0 AFAERN CC1(C)CCc2[nH]c(=S)sc2C1 70655037 343520847 /nfs/dbraw/zinc/52/08/47/343520847.db2.gz ZJWOUZKKTHMPAP-UHFFFAOYSA-N 0 0 199.344 2.947 10 0 AFAERN CC1(C)CCC2(CC1)CC(=O)CCO2 70655006 343520865 /nfs/dbraw/zinc/52/08/65/343520865.db2.gz HYRWAXLQLRLWIA-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)[C@]1(O)CCCC(C)(C)C1 70684140 343524144 /nfs/dbraw/zinc/52/41/44/343524144.db2.gz FFWPJUFOSLBJDN-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)CCC[C@H](Nc2cn[nH]c2)C1 70683022 343524320 /nfs/dbraw/zinc/52/43/20/343524320.db2.gz DTUWRXPUPBCSLT-VIFPVBQESA-N 0 0 193.294 2.790 10 0 AFAERN CC(C)[C@@]1(O)CCCC(C)(C)C1 70684143 343524353 /nfs/dbraw/zinc/52/43/53/343524353.db2.gz FFWPJUFOSLBJDN-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)CCC[C@@H](Nc2cn[nH]c2)C1 70683025 343524419 /nfs/dbraw/zinc/52/44/19/343524419.db2.gz DTUWRXPUPBCSLT-SECBINFHSA-N 0 0 193.294 2.790 10 0 AFAERN CC1(C)CCC[C@]2(CC(=O)CCO2)C1 70684747 343524595 /nfs/dbraw/zinc/52/45/95/343524595.db2.gz NOFMTYXYNCMKSJ-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN CC1(C)CCC[C@@](N)(C(F)(F)F)C1 70684701 343524630 /nfs/dbraw/zinc/52/46/30/343524630.db2.gz ZXQRWEOAKZZYJR-QMMMGPOBSA-N 0 0 195.228 2.846 10 0 AFAERN CC1(C)CCC[C@@]2(CC(=O)CCO2)C1 70684753 343524679 /nfs/dbraw/zinc/52/46/79/343524679.db2.gz NOFMTYXYNCMKSJ-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN CC1(C)CCC[C@](N)(C(F)(F)F)C1 70684698 343524791 /nfs/dbraw/zinc/52/47/91/343524791.db2.gz ZXQRWEOAKZZYJR-MRVPVSSYSA-N 0 0 195.228 2.846 10 0 AFAERN Cc1cccc(Cn2ccc(C)n2)c1 70687809 343525070 /nfs/dbraw/zinc/52/50/70/343525070.db2.gz SBGCAMRTSOQLLG-UHFFFAOYSA-N 0 0 186.258 2.548 10 0 AFAERN Cc1ccn(C2CCCCC2)n1 70687779 343525272 /nfs/dbraw/zinc/52/52/72/343525272.db2.gz BOGCCASARXDDGV-UHFFFAOYSA-N 0 0 164.252 2.697 10 0 AFAERN Cc1ccn([C@@H]2CCC[C@@H](C)C2)n1 70688136 343525553 /nfs/dbraw/zinc/52/55/53/343525553.db2.gz YXZRVOVHSHKJFP-MWLCHTKSSA-N 0 0 178.279 2.943 10 0 AFAERN Cc1ccn([C@H]2CCC[C@@H](C)C2)n1 70688140 343525590 /nfs/dbraw/zinc/52/55/90/343525590.db2.gz YXZRVOVHSHKJFP-KOLCDFICSA-N 0 0 178.279 2.943 10 0 AFAERN Cc1ccn([C@@H]2CCC[C@H](C)C2)n1 70688131 343525634 /nfs/dbraw/zinc/52/56/34/343525634.db2.gz YXZRVOVHSHKJFP-GXSJLCMTSA-N 0 0 178.279 2.943 10 0 AFAERN Cc1ccn([C@H]2CCC[C@H](C)C2)n1 70688134 343525645 /nfs/dbraw/zinc/52/56/45/343525645.db2.gz YXZRVOVHSHKJFP-ONGXEEELSA-N 0 0 178.279 2.943 10 0 AFAERN Cc1ccnn1CC1CCCCC1 70688349 343525649 /nfs/dbraw/zinc/52/56/49/343525649.db2.gz XJZIGJDHPYFOEO-UHFFFAOYSA-N 0 0 178.279 2.772 10 0 AFAERN Cc1ccn(CCC(C)(C)C)n1 70688106 343525658 /nfs/dbraw/zinc/52/56/58/343525658.db2.gz MBCXEUDZRODOJU-UHFFFAOYSA-N 0 0 166.268 2.628 10 0 AFAERN Cc1ccnn1CCC(C)(C)C 70688412 343525703 /nfs/dbraw/zinc/52/57/03/343525703.db2.gz XFWPCYBHIXUCRD-UHFFFAOYSA-N 0 0 166.268 2.628 10 0 AFAERN Cc1ccc(Cn2ccc(C)n2)cc1 70688161 343525731 /nfs/dbraw/zinc/52/57/31/343525731.db2.gz JUNXPKIJMFDILV-UHFFFAOYSA-N 0 0 186.258 2.548 10 0 AFAERN O=C1CCC[C@H](CC2CCOCC2)C1 70737615 343527109 /nfs/dbraw/zinc/52/71/09/343527109.db2.gz YTIHYZWOPKSZFX-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN O=C(c1nccc2ccccc12)C1CC1 70735841 343527117 /nfs/dbraw/zinc/52/71/17/343527117.db2.gz CGMBOKQTTKFYFB-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN O=C1CCC[C@H](c2ccoc2)C1 70737900 343527155 /nfs/dbraw/zinc/52/71/55/343527155.db2.gz RXLVGJQDBIZVDR-QMMMGPOBSA-N 0 0 164.204 2.506 10 0 AFAERN Cc1ccc([C@@H]2CCCC(=O)C2)cn1 70737717 343527158 /nfs/dbraw/zinc/52/71/58/343527158.db2.gz KAENSIRJZYLQLP-SNVBAGLBSA-N 0 0 189.258 2.617 10 0 AFAERN O=C(C1CC1)C1(c2ccccc2)CC1 70735818 343527192 /nfs/dbraw/zinc/52/71/92/343527192.db2.gz YDCIOSHEIBOPLD-UHFFFAOYSA-N 0 0 186.254 2.697 10 0 AFAERN Cc1ccc([C@H]2CCCC(=O)C2)cn1 70737719 343527215 /nfs/dbraw/zinc/52/72/15/343527215.db2.gz KAENSIRJZYLQLP-JTQLQIEISA-N 0 0 189.258 2.617 10 0 AFAERN O=C1CCC[C@@H](c2ccoc2)C1 70737897 343527231 /nfs/dbraw/zinc/52/72/31/343527231.db2.gz RXLVGJQDBIZVDR-MRVPVSSYSA-N 0 0 164.204 2.506 10 0 AFAERN O=C1CCC[C@@H](c2ccco2)C1 70737463 343527241 /nfs/dbraw/zinc/52/72/41/343527241.db2.gz KRUWEXAIZQOUKM-MRVPVSSYSA-N 0 0 164.204 2.506 10 0 AFAERN CCCC[C@H]1CCCC(=O)C1 70737451 343527290 /nfs/dbraw/zinc/52/72/90/343527290.db2.gz ORIINXCHZXECLA-VIFPVBQESA-N 0 0 154.253 2.936 10 0 AFAERN CC(C)(C(=O)C1CC1)c1ccccc1 70735816 343527300 /nfs/dbraw/zinc/52/73/00/343527300.db2.gz WRPODENOTJJZFW-UHFFFAOYSA-N 0 0 188.270 2.943 10 0 AFAERN Cc1ccc([C@H](O)C2CC2)cc1F 70735866 343527316 /nfs/dbraw/zinc/52/73/16/343527316.db2.gz FQVMJMFPUKZZGI-LLVKDONJSA-N 0 0 180.222 2.578 10 0 AFAERN O=C(c1ccc2ncccc2c1)C1CC1 70735827 343527341 /nfs/dbraw/zinc/52/73/41/343527341.db2.gz ILRYMRPJCWCRQI-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN O=C1CCC[C@H](c2ccco2)C1 70737464 343527347 /nfs/dbraw/zinc/52/73/47/343527347.db2.gz KRUWEXAIZQOUKM-QMMMGPOBSA-N 0 0 164.204 2.506 10 0 AFAERN CC(C)(c1ccccc1)[C@H](O)C1CC1 70735925 343527365 /nfs/dbraw/zinc/52/73/65/343527365.db2.gz ZODHGONHQSTSIF-GFCCVEGCSA-N 0 0 190.286 2.735 10 0 AFAERN Cc1ccc([C@@H](O)C2CC2)cc1F 70735868 343527372 /nfs/dbraw/zinc/52/73/72/343527372.db2.gz FQVMJMFPUKZZGI-NSHDSACASA-N 0 0 180.222 2.578 10 0 AFAERN CC(C)(c1ccccc1)[C@@H](O)C1CC1 70735928 343527375 /nfs/dbraw/zinc/52/73/75/343527375.db2.gz ZODHGONHQSTSIF-LBPRGKRZSA-N 0 0 190.286 2.735 10 0 AFAERN O=C(c1ccc2ccccc2n1)C1CC1 70735828 343527383 /nfs/dbraw/zinc/52/73/83/343527383.db2.gz IRBAMTIQHNVPRB-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN O=C1CCC[C@@H](CC2CCOCC2)C1 70737616 343527433 /nfs/dbraw/zinc/52/74/33/343527433.db2.gz YTIHYZWOPKSZFX-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN CC1CCC(C(=O)C2CC2)CC1 70735808 343527446 /nfs/dbraw/zinc/52/74/46/343527446.db2.gz NJMKBKQAVICAIX-UHFFFAOYSA-N 0 0 166.264 2.792 10 0 AFAERN O=C1CC[C@@H](Cc2ccccc2F)C1 70738112 343527517 /nfs/dbraw/zinc/52/75/17/343527517.db2.gz CPWPMDAOCXJGCB-VIFPVBQESA-N 0 0 192.233 2.737 10 0 AFAERN Cc1ccccc1C[C@H]1CCC(=O)C1 70738209 343527523 /nfs/dbraw/zinc/52/75/23/343527523.db2.gz HOFOINSFRKBVAO-LLVKDONJSA-N 0 0 188.270 2.907 10 0 AFAERN CCCCC[C@H]1CCC(=O)C1 70738546 343527532 /nfs/dbraw/zinc/52/75/32/343527532.db2.gz GWSPTFQZKGLWES-VIFPVBQESA-N 0 0 154.253 2.936 10 0 AFAERN O=C1CC[C@H](Cc2ccccc2F)C1 70738114 343527540 /nfs/dbraw/zinc/52/75/40/343527540.db2.gz CPWPMDAOCXJGCB-SECBINFHSA-N 0 0 192.233 2.737 10 0 AFAERN Cc1ccc(F)c([C@H]2CCC(=O)C2)c1 70738483 343527572 /nfs/dbraw/zinc/52/75/72/343527572.db2.gz LMDHVLHPGPDLCL-VIFPVBQESA-N 0 0 192.233 2.971 10 0 AFAERN Cc1cccc(C[C@H]2CCC(=O)C2)c1 70738116 343527576 /nfs/dbraw/zinc/52/75/76/343527576.db2.gz YNVABNHIWQOOLZ-GFCCVEGCSA-N 0 0 188.270 2.907 10 0 AFAERN CC(=O)CCc1cc(C)ccc1F 70738817 343527584 /nfs/dbraw/zinc/52/75/84/343527584.db2.gz HOSPAIPWZZQZMZ-UHFFFAOYSA-N 0 0 180.222 2.656 10 0 AFAERN CCCCC[C@@H]1CCC(=O)C1 70738543 343527587 /nfs/dbraw/zinc/52/75/87/343527587.db2.gz GWSPTFQZKGLWES-SECBINFHSA-N 0 0 154.253 2.936 10 0 AFAERN CC[C@@H](C)C[C@@H]1CCC(=O)C1 70738578 343527616 /nfs/dbraw/zinc/52/76/16/343527616.db2.gz QBVSPMBYNUALBS-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN O=C1CC[C@@H](Cc2ccsc2)C1 70738572 343527640 /nfs/dbraw/zinc/52/76/40/343527640.db2.gz AJEUSUPETOCFNJ-QMMMGPOBSA-N 0 0 180.272 2.660 10 0 AFAERN O=C1CC[C@H](c2cccc(F)c2F)C1 70738170 343527659 /nfs/dbraw/zinc/52/76/59/343527659.db2.gz BXHBXPNAQDWXLH-ZETCQYMHSA-N 0 0 196.196 2.801 10 0 AFAERN O=C1CC[C@H](Cc2ccsc2)C1 70738576 343527673 /nfs/dbraw/zinc/52/76/73/343527673.db2.gz AJEUSUPETOCFNJ-MRVPVSSYSA-N 0 0 180.272 2.660 10 0 AFAERN CC(=O)CCc1cccc2cnccc12 70738739 343527706 /nfs/dbraw/zinc/52/77/06/343527706.db2.gz DUOGTRWKRHRWQQ-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN Cc1ccc(F)c([C@@H]2CCC(=O)C2)c1 70738482 343527708 /nfs/dbraw/zinc/52/77/08/343527708.db2.gz LMDHVLHPGPDLCL-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN CC[C@@H](C)C[C@H]1CCC(=O)C1 70738585 343527723 /nfs/dbraw/zinc/52/77/23/343527723.db2.gz QBVSPMBYNUALBS-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN O=C1CC[C@@H](c2cccc(F)c2F)C1 70738168 343527746 /nfs/dbraw/zinc/52/77/46/343527746.db2.gz BXHBXPNAQDWXLH-SSDOTTSWSA-N 0 0 196.196 2.801 10 0 AFAERN O=C1CC[C@H](Cc2cccs2)C1 70738290 343527756 /nfs/dbraw/zinc/52/77/56/343527756.db2.gz MKOMYKXTMYERKX-QMMMGPOBSA-N 0 0 180.272 2.660 10 0 AFAERN O=C1CC[C@@H](Cc2cccs2)C1 70738288 343527771 /nfs/dbraw/zinc/52/77/71/343527771.db2.gz MKOMYKXTMYERKX-MRVPVSSYSA-N 0 0 180.272 2.660 10 0 AFAERN Cc1cc(F)ccc1[C@H]1CCC(=O)C1 70738481 343527782 /nfs/dbraw/zinc/52/77/82/343527782.db2.gz ADTUPVFGMMLTFM-VIFPVBQESA-N 0 0 192.233 2.971 10 0 AFAERN O=C1CC[C@H](c2c(F)cccc2F)C1 70738165 343527802 /nfs/dbraw/zinc/52/78/02/343527802.db2.gz OSOCDMKXIWIGIO-ZETCQYMHSA-N 0 0 196.196 2.801 10 0 AFAERN CC[C@H](C)C[C@H]1CCC(=O)C1 70738586 343527810 /nfs/dbraw/zinc/52/78/10/343527810.db2.gz QBVSPMBYNUALBS-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1ccccc1C[C@@H]1CCC(=O)C1 70738208 343527817 /nfs/dbraw/zinc/52/78/17/343527817.db2.gz HOFOINSFRKBVAO-NSHDSACASA-N 0 0 188.270 2.907 10 0 AFAERN O=C1CC[C@@H](c2c(F)cccc2F)C1 70738163 343527836 /nfs/dbraw/zinc/52/78/36/343527836.db2.gz OSOCDMKXIWIGIO-SSDOTTSWSA-N 0 0 196.196 2.801 10 0 AFAERN Cc1cccc(C[C@@H]2CCC(=O)C2)c1 70738115 343527859 /nfs/dbraw/zinc/52/78/59/343527859.db2.gz YNVABNHIWQOOLZ-LBPRGKRZSA-N 0 0 188.270 2.907 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1CCC(=O)C1 70738480 343527870 /nfs/dbraw/zinc/52/78/70/343527870.db2.gz ADTUPVFGMMLTFM-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN CC[C@H](C)C[C@@H]1CCC(=O)C1 70738581 343527886 /nfs/dbraw/zinc/52/78/86/343527886.db2.gz QBVSPMBYNUALBS-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN O=C1CCCC[C@@H](c2ccoc2)C1 70740612 343528079 /nfs/dbraw/zinc/52/80/79/343528079.db2.gz UOHAOPRLJFZWEN-SECBINFHSA-N 0 0 178.231 2.896 10 0 AFAERN O=C1CCCC[C@H](c2ccco2)C1 70740543 343528092 /nfs/dbraw/zinc/52/80/92/343528092.db2.gz SUQPCXNZZJHHRV-VIFPVBQESA-N 0 0 178.231 2.896 10 0 AFAERN CCC[C@@H]1CCCCC(=O)C1 70740228 343528117 /nfs/dbraw/zinc/52/81/17/343528117.db2.gz GYFQVEPWRKPQEC-SECBINFHSA-N 0 0 154.253 2.936 10 0 AFAERN O=C1CCCC[C@H](c2ccoc2)C1 70740613 343528150 /nfs/dbraw/zinc/52/81/50/343528150.db2.gz UOHAOPRLJFZWEN-VIFPVBQESA-N 0 0 178.231 2.896 10 0 AFAERN O=C1CCCC[C@@H](c2ccco2)C1 70740540 343528153 /nfs/dbraw/zinc/52/81/53/343528153.db2.gz SUQPCXNZZJHHRV-SECBINFHSA-N 0 0 178.231 2.896 10 0 AFAERN O=C1CCCC[C@H](C2CC2)C1 70740383 343528163 /nfs/dbraw/zinc/52/81/63/343528163.db2.gz FYIOOOWISHBKQR-VIFPVBQESA-N 0 0 152.237 2.546 10 0 AFAERN Cc1n[nH]c(C)c1N[C@H]1CC[C@@H](C)C1 70760840 343528719 /nfs/dbraw/zinc/52/87/19/343528719.db2.gz LTWQNKMQQQJOEV-XCBNKYQSSA-N 0 0 193.294 2.627 10 0 AFAERN C[C@@H]1CC[C@@H](Nc2cccnc2)C1 70747640 343528732 /nfs/dbraw/zinc/52/87/32/343528732.db2.gz XMNCUTUVEYKQEC-NXEZZACHSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@H]1CC[C@H](Nc2cccnc2)C1 70747639 343528740 /nfs/dbraw/zinc/52/87/40/343528740.db2.gz XMNCUTUVEYKQEC-UWVGGRQHSA-N 0 0 176.263 2.682 10 0 AFAERN Cc1n[nH]c(C)c1N[C@H]1CC[C@H](C)C1 70760838 343528832 /nfs/dbraw/zinc/52/88/32/343528832.db2.gz LTWQNKMQQQJOEV-XVKPBYJWSA-N 0 0 193.294 2.627 10 0 AFAERN C[C@@H]1CC[C@H](Nc2cccnc2)C1 70747637 343528880 /nfs/dbraw/zinc/52/88/80/343528880.db2.gz XMNCUTUVEYKQEC-ZJUUUORDSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@H]1CC[C@@H](Nc2cccnc2)C1 70747642 343528884 /nfs/dbraw/zinc/52/88/84/343528884.db2.gz XMNCUTUVEYKQEC-VHSXEESVSA-N 0 0 176.263 2.682 10 0 AFAERN Cc1n[nH]c(C)c1N[C@@H]1CC[C@@H](C)C1 70760839 343528913 /nfs/dbraw/zinc/52/89/13/343528913.db2.gz LTWQNKMQQQJOEV-GMSGAONNSA-N 0 0 193.294 2.627 10 0 AFAERN Cc1n[nH]c(C)c1N[C@@H]1CC[C@H](C)C1 70760837 343528921 /nfs/dbraw/zinc/52/89/21/343528921.db2.gz LTWQNKMQQQJOEV-OIBJUYFYSA-N 0 0 193.294 2.627 10 0 AFAERN C[C@H]1CC[C@@](O)(C2CCCC2)C1 70764441 343529043 /nfs/dbraw/zinc/52/90/43/343529043.db2.gz BBQCFGZJBAFGLB-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H]1CC[C@](O)(C2CCCC2)C1 70764439 343529239 /nfs/dbraw/zinc/52/92/39/343529239.db2.gz BBQCFGZJBAFGLB-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H]1CC[C@@](O)(c2ccoc2)C1 70765217 343529701 /nfs/dbraw/zinc/52/97/01/343529701.db2.gz VVNCTEDGVKUOMV-KOLCDFICSA-N 0 0 180.247 2.677 10 0 AFAERN CC[C@H]1CC[C@@](O)(c2ccco2)C1 70765722 343529438 /nfs/dbraw/zinc/52/94/38/343529438.db2.gz DCIUORMVKTVDRP-ONGXEEELSA-N 0 0 180.247 2.677 10 0 AFAERN CC(C)C[C@]1(O)CC[C@H](C)C1 70765026 343529444 /nfs/dbraw/zinc/52/94/44/343529444.db2.gz HEGYMSBGIQPPCZ-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1CC[C@](O)(c2ccoc2)C1 70765212 343529452 /nfs/dbraw/zinc/52/94/52/343529452.db2.gz VVNCTEDGVKUOMV-MWLCHTKSSA-N 0 0 180.247 2.677 10 0 AFAERN CC(C)C[C@@]1(O)CC[C@@H](C)C1 70765020 343529472 /nfs/dbraw/zinc/52/94/72/343529472.db2.gz HEGYMSBGIQPPCZ-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H]1CC[C@](O)(c2ccco2)C1 70765717 343529488 /nfs/dbraw/zinc/52/94/88/343529488.db2.gz DCIUORMVKTVDRP-GXSJLCMTSA-N 0 0 180.247 2.677 10 0 AFAERN CC[C@@H]1CC[C@](O)(c2ccco2)C1 70765715 343529514 /nfs/dbraw/zinc/52/95/14/343529514.db2.gz DCIUORMVKTVDRP-MWLCHTKSSA-N 0 0 180.247 2.677 10 0 AFAERN CC(C)C[C@@]1(O)CC[C@H](C)C1 70765022 343529532 /nfs/dbraw/zinc/52/95/32/343529532.db2.gz HEGYMSBGIQPPCZ-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H]1CC[C@](O)(c2ccoc2)C1 70765215 343529583 /nfs/dbraw/zinc/52/95/83/343529583.db2.gz VVNCTEDGVKUOMV-GXSJLCMTSA-N 0 0 180.247 2.677 10 0 AFAERN CC[C@H]1CC[C@@](O)(c2ccoc2)C1 70765218 343529613 /nfs/dbraw/zinc/52/96/13/343529613.db2.gz VVNCTEDGVKUOMV-ONGXEEELSA-N 0 0 180.247 2.677 10 0 AFAERN CC(C)C[C@]1(O)CC[C@@H](C)C1 70765024 343529675 /nfs/dbraw/zinc/52/96/75/343529675.db2.gz HEGYMSBGIQPPCZ-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1CC[C@@](O)(c2ccco2)C1 70765719 343529697 /nfs/dbraw/zinc/52/96/97/343529697.db2.gz DCIUORMVKTVDRP-KOLCDFICSA-N 0 0 180.247 2.677 10 0 AFAERN CC(C)(C)CC[C@@H]1CC[C@@H](O)C1 70771850 343530636 /nfs/dbraw/zinc/53/06/36/343530636.db2.gz JZIJGPIWQRNDCY-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccc(CC[C@@H](C)O)c1C 70770507 343530300 /nfs/dbraw/zinc/53/03/00/343530300.db2.gz SFTTYWYXSARUCM-SNVBAGLBSA-N 0 0 178.275 2.617 10 0 AFAERN Cc1cccc(CC[C@H](C)O)c1C 70770511 343530315 /nfs/dbraw/zinc/53/03/15/343530315.db2.gz SFTTYWYXSARUCM-JTQLQIEISA-N 0 0 178.275 2.617 10 0 AFAERN Cc1cc(F)ccc1[C@H]1CC[C@H](O)C1 70771614 343530629 /nfs/dbraw/zinc/53/06/29/343530629.db2.gz NOLKTVWKOZIXRE-ONGXEEELSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1cc(C)cc([C@H]2CC[C@@H](O)C2)c1 70771900 343530634 /nfs/dbraw/zinc/53/06/34/343530634.db2.gz FSMXKGIWLBYFFB-WCQYABFASA-N 0 0 190.286 2.932 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1CC[C@@H](O)C1 70771618 343530642 /nfs/dbraw/zinc/53/06/42/343530642.db2.gz NOLKTVWKOZIXRE-MWLCHTKSSA-N 0 0 194.249 2.763 10 0 AFAERN O[C@@H]1CC[C@H](c2cccc(F)c2F)C1 70771414 343530644 /nfs/dbraw/zinc/53/06/44/343530644.db2.gz ZIALWEVFNFDIMJ-JGVFFNPUSA-N 0 0 198.212 2.593 10 0 AFAERN CC(C)CC[C@H]1CC[C@@H](O)C1 70771034 343530648 /nfs/dbraw/zinc/53/06/48/343530648.db2.gz ZOJFUXTWWBPPON-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc(F)ccc1[C@H]1CC[C@@H](O)C1 70771622 343530649 /nfs/dbraw/zinc/53/06/49/343530649.db2.gz NOLKTVWKOZIXRE-GXSJLCMTSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccc([C@H]2CC[C@@H](O)C2)c(C)c1 70771676 343530650 /nfs/dbraw/zinc/53/06/50/343530650.db2.gz VEYDNWNOXGINPL-NWDGAFQWSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1ccc([C@H]2CC[C@H](O)C2)cc1C 70771344 343530652 /nfs/dbraw/zinc/53/06/52/343530652.db2.gz OASXJAJUDDMATL-STQMWFEESA-N 0 0 190.286 2.932 10 0 AFAERN O[C@@H]1CC[C@@H](c2cc(F)ccc2F)C1 70771642 343530655 /nfs/dbraw/zinc/53/06/55/343530655.db2.gz LCAQKAAXAKXSHX-VXNVDRBHSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1ccc(C[C@@H]2CC[C@@H](O)C2)cc1 70771529 343530670 /nfs/dbraw/zinc/53/06/70/343530670.db2.gz KFEFERPGZRHNCB-QWHCGFSZSA-N 0 0 190.286 2.699 10 0 AFAERN CC(C)CC[C@@H]1CC[C@H](O)C1 70771024 343530672 /nfs/dbraw/zinc/53/06/72/343530672.db2.gz ZOJFUXTWWBPPON-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc(C)cc([C@@H]2CC[C@H](O)C2)c1 70771893 343530677 /nfs/dbraw/zinc/53/06/77/343530677.db2.gz FSMXKGIWLBYFFB-YPMHNXCESA-N 0 0 190.286 2.932 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1CC[C@H](O)C1 70771612 343530694 /nfs/dbraw/zinc/53/06/94/343530694.db2.gz NOLKTVWKOZIXRE-KOLCDFICSA-N 0 0 194.249 2.763 10 0 AFAERN O[C@@H]1CC[C@H](Cc2ccccc2F)C1 70771913 343530698 /nfs/dbraw/zinc/53/06/98/343530698.db2.gz GJTHOXSEVPFZST-MWLCHTKSSA-N 0 0 194.249 2.529 10 0 AFAERN O[C@H]1CC[C@H](c2cccc(F)c2F)C1 70771406 343530701 /nfs/dbraw/zinc/53/07/01/343530701.db2.gz ZIALWEVFNFDIMJ-YUMQZZPRSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1ccc([C@@H]2CC[C@@H](O)C2)cc1C 70771348 343530705 /nfs/dbraw/zinc/53/07/05/343530705.db2.gz OASXJAJUDDMATL-CHWSQXEVSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1cc(C)cc([C@H]2CC[C@H](O)C2)c1 70771896 343530706 /nfs/dbraw/zinc/53/07/06/343530706.db2.gz FSMXKGIWLBYFFB-AAEUAGOBSA-N 0 0 190.286 2.932 10 0 AFAERN O[C@H]1CC[C@H](c2ccc(F)cc2F)C1 70771628 343530712 /nfs/dbraw/zinc/53/07/12/343530712.db2.gz XOSQTQSGTMJUTA-CBAPKCEASA-N 0 0 198.212 2.593 10 0 AFAERN O[C@@H]1CC[C@@H](Cc2ccccc2F)C1 70771911 343530723 /nfs/dbraw/zinc/53/07/23/343530723.db2.gz GJTHOXSEVPFZST-GXSJLCMTSA-N 0 0 194.249 2.529 10 0 AFAERN Cc1ccc(F)c([C@@H]2CC[C@H](O)C2)c1 70771353 343530727 /nfs/dbraw/zinc/53/07/27/343530727.db2.gz GWLLVRSJIHGZNH-ZJUUUORDSA-N 0 0 194.249 2.763 10 0 AFAERN O[C@H]1CC[C@H](Cc2ccc(F)cc2)C1 70771730 343530731 /nfs/dbraw/zinc/53/07/31/343530731.db2.gz WUKBSCFTLBFUIY-PWSUYJOCSA-N 0 0 194.249 2.529 10 0 AFAERN O[C@H]1CC[C@H](c2cc(F)ccc2F)C1 70771640 343530733 /nfs/dbraw/zinc/53/07/33/343530733.db2.gz LCAQKAAXAKXSHX-CBAPKCEASA-N 0 0 198.212 2.593 10 0 AFAERN Cc1ccc(F)c([C@H]2CC[C@H](O)C2)c1 70771355 343530734 /nfs/dbraw/zinc/53/07/34/343530734.db2.gz GWLLVRSJIHGZNH-UWVGGRQHSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccc(F)c([C@@H]2CC[C@@H](O)C2)c1 70771360 343530737 /nfs/dbraw/zinc/53/07/37/343530737.db2.gz GWLLVRSJIHGZNH-NXEZZACHSA-N 0 0 194.249 2.763 10 0 AFAERN O[C@H]1CC[C@@H](c2cc(F)ccc2F)C1 70771639 343530743 /nfs/dbraw/zinc/53/07/43/343530743.db2.gz LCAQKAAXAKXSHX-APPZFPTMSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@@H]1CC[C@H](c2cc(F)ccc2F)C1 70771645 343530750 /nfs/dbraw/zinc/53/07/50/343530750.db2.gz LCAQKAAXAKXSHX-IONNQARKSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@@H]1CC[C@H](Cc2ccc(F)cc2)C1 70771734 343530752 /nfs/dbraw/zinc/53/07/52/343530752.db2.gz WUKBSCFTLBFUIY-ZYHUDNBSSA-N 0 0 194.249 2.529 10 0 AFAERN Cc1ccc(C[C@H]2CC[C@@H](O)C2)cc1 70771532 343530753 /nfs/dbraw/zinc/53/07/53/343530753.db2.gz KFEFERPGZRHNCB-CHWSQXEVSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc([C@@H]2CC[C@@H](O)C2)c(C)c1 70771673 343530754 /nfs/dbraw/zinc/53/07/54/343530754.db2.gz VEYDNWNOXGINPL-VXGBXAGGSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1ccc([C@H]2CC[C@H](O)C2)c(C)c1 70771670 343530761 /nfs/dbraw/zinc/53/07/61/343530761.db2.gz VEYDNWNOXGINPL-RYUDHWBXSA-N 0 0 190.286 2.932 10 0 AFAERN CC(C)(C)CC[C@H]1CC[C@@H](O)C1 70771853 343530764 /nfs/dbraw/zinc/53/07/64/343530764.db2.gz JZIJGPIWQRNDCY-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc([C@@H]2CC[C@H](O)C2)c(C)c1 70771667 343530767 /nfs/dbraw/zinc/53/07/67/343530767.db2.gz VEYDNWNOXGINPL-NEPJUHHUSA-N 0 0 190.286 2.932 10 0 AFAERN O[C@@H]1CC[C@@H](c2cccc(F)c2F)C1 70771410 343530772 /nfs/dbraw/zinc/53/07/72/343530772.db2.gz ZIALWEVFNFDIMJ-HTQZYQBOSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1cc(C)cc([C@@H]2CC[C@@H](O)C2)c1 70771899 343530786 /nfs/dbraw/zinc/53/07/86/343530786.db2.gz FSMXKGIWLBYFFB-DGCLKSJQSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1ccc(F)c([C@H]2CC[C@@H](O)C2)c1 70771364 343530808 /nfs/dbraw/zinc/53/08/08/343530808.db2.gz GWLLVRSJIHGZNH-VHSXEESVSA-N 0 0 194.249 2.763 10 0 AFAERN CC(C)CC[C@H]1CC[C@H](O)C1 70771027 343530813 /nfs/dbraw/zinc/53/08/13/343530813.db2.gz ZOJFUXTWWBPPON-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@H]1CC[C@H](Cc2ccccc2F)C1 70771908 343530814 /nfs/dbraw/zinc/53/08/14/343530814.db2.gz GJTHOXSEVPFZST-KOLCDFICSA-N 0 0 194.249 2.529 10 0 AFAERN O[C@H]1CC[C@@H](Cc2ccccc2F)C1 70771905 343530815 /nfs/dbraw/zinc/53/08/15/343530815.db2.gz GJTHOXSEVPFZST-ONGXEEELSA-N 0 0 194.249 2.529 10 0 AFAERN Cc1ccc(C[C@@H]2CC[C@H](O)C2)cc1 70771523 343530816 /nfs/dbraw/zinc/53/08/16/343530816.db2.gz KFEFERPGZRHNCB-STQMWFEESA-N 0 0 190.286 2.699 10 0 AFAERN O[C@@H]1CC[C@@H](Cc2ccc(F)cc2)C1 70771733 343530820 /nfs/dbraw/zinc/53/08/20/343530820.db2.gz WUKBSCFTLBFUIY-CMPLNLGQSA-N 0 0 194.249 2.529 10 0 AFAERN O[C@H]1CC[C@@H](c2ccc(F)cc2F)C1 70771625 343530825 /nfs/dbraw/zinc/53/08/25/343530825.db2.gz XOSQTQSGTMJUTA-APPZFPTMSA-N 0 0 198.212 2.593 10 0 AFAERN CC(C)CC[C@@H]1CC[C@@H](O)C1 70771031 343530827 /nfs/dbraw/zinc/53/08/27/343530827.db2.gz ZOJFUXTWWBPPON-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)CC[C@H]1CC[C@H](O)C1 70771849 343530829 /nfs/dbraw/zinc/53/08/29/343530829.db2.gz JZIJGPIWQRNDCY-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(C[C@H]2CC[C@H](O)C2)cc1 70771527 343530835 /nfs/dbraw/zinc/53/08/35/343530835.db2.gz KFEFERPGZRHNCB-OLZOCXBDSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc([C@@H]2CC[C@H](O)C2)cc1C 70771341 343530842 /nfs/dbraw/zinc/53/08/42/343530842.db2.gz OASXJAJUDDMATL-OLZOCXBDSA-N 0 0 190.286 2.932 10 0 AFAERN O[C@H]1CC[C@@H](Cc2ccc(F)cc2)C1 70771727 343530846 /nfs/dbraw/zinc/53/08/46/343530846.db2.gz WUKBSCFTLBFUIY-JQWIXIFHSA-N 0 0 194.249 2.529 10 0 AFAERN O[C@@H]1CC[C@@H](c2ccc(F)cc2F)C1 70771633 343530851 /nfs/dbraw/zinc/53/08/51/343530851.db2.gz XOSQTQSGTMJUTA-VXNVDRBHSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1ccccc1C[C@H]1CC[C@H](O)C1 70772764 343531133 /nfs/dbraw/zinc/53/11/33/343531133.db2.gz DIAQDTROWJHDQC-YPMHNXCESA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc(F)cc1[C@@H]1CC[C@H](O)C1 70772246 343531137 /nfs/dbraw/zinc/53/11/37/343531137.db2.gz CHWPAYBSXBTPBF-KOLCDFICSA-N 0 0 194.249 2.763 10 0 AFAERN CC(C)CC[C@H]1CCC[C@@H](O)C1 70773043 343531144 /nfs/dbraw/zinc/53/11/44/343531144.db2.gz PKXCDPLNZWFOFM-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN O[C@@H]1CC[C@@H](c2ccc(F)c(F)c2)C1 70772645 343531145 /nfs/dbraw/zinc/53/11/45/343531145.db2.gz IJUMUFZMZMNRFG-VXNVDRBHSA-N 0 0 198.212 2.593 10 0 AFAERN Cc1cccc(C[C@@H]2CC[C@@H](O)C2)c1 70772486 343531147 /nfs/dbraw/zinc/53/11/47/343531147.db2.gz KNRWETOYZALXGX-QWHCGFSZSA-N 0 0 190.286 2.699 10 0 AFAERN O[C@H]1CC[C@H](c2ccc(F)c(F)c2)C1 70772642 343531153 /nfs/dbraw/zinc/53/11/53/343531153.db2.gz IJUMUFZMZMNRFG-CBAPKCEASA-N 0 0 198.212 2.593 10 0 AFAERN Cc1ccc(F)cc1[C@H]1CC[C@H](O)C1 70772250 343531156 /nfs/dbraw/zinc/53/11/56/343531156.db2.gz CHWPAYBSXBTPBF-ONGXEEELSA-N 0 0 194.249 2.763 10 0 AFAERN CC(C)CC[C@@H]1CCC[C@H](O)C1 70773034 343531157 /nfs/dbraw/zinc/53/11/57/343531157.db2.gz PKXCDPLNZWFOFM-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)CC[C@H]1CCC[C@H](O)C1 70773036 343531163 /nfs/dbraw/zinc/53/11/63/343531163.db2.gz PKXCDPLNZWFOFM-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccccc1C[C@@H]1CC[C@@H](O)C1 70772770 343531191 /nfs/dbraw/zinc/53/11/91/343531191.db2.gz DIAQDTROWJHDQC-WCQYABFASA-N 0 0 190.286 2.699 10 0 AFAERN CC(C)CC[C@@H]1CCC[C@@H](O)C1 70773041 343531193 /nfs/dbraw/zinc/53/11/93/343531193.db2.gz PKXCDPLNZWFOFM-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN O[C@H]1CCC[C@@H](c2ccc(F)cc2)C1 70773962 343531224 /nfs/dbraw/zinc/53/12/24/343531224.db2.gz PMNQIPKKMAEXAM-PWSUYJOCSA-N 0 0 194.249 2.844 10 0 AFAERN Cc1ccccc1C[C@H]1CC[C@@H](O)C1 70772774 343531226 /nfs/dbraw/zinc/53/12/26/343531226.db2.gz DIAQDTROWJHDQC-DGCLKSJQSA-N 0 0 190.286 2.699 10 0 AFAERN O[C@H]1CCC[C@H](c2ccccc2F)C1 70773793 343531227 /nfs/dbraw/zinc/53/12/27/343531227.db2.gz BHJNYEBLVKQQRV-UWVGGRQHSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@H]1CCC[C@@H](c2ccccc2F)C1 70773790 343531243 /nfs/dbraw/zinc/53/12/43/343531243.db2.gz BHJNYEBLVKQQRV-ZJUUUORDSA-N 0 0 194.249 2.844 10 0 AFAERN CC[C@H](C)C[C@H]1CC[C@H](O)C1 70772185 343531246 /nfs/dbraw/zinc/53/12/46/343531246.db2.gz NQLDYQPHGFOUII-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@H]1CC[C@@H](c2c(F)cccc2F)C1 70772672 343531266 /nfs/dbraw/zinc/53/12/66/343531266.db2.gz TTYNNUWRWSUYLC-SFYZADRCSA-N 0 0 198.212 2.593 10 0 AFAERN CC[C@H](C)C[C@H]1CCC[C@H](O)C1 70774201 343531270 /nfs/dbraw/zinc/53/12/70/343531270.db2.gz COILEFYVKZXNNM-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(F)cc1[C@H]1CC[C@@H](O)C1 70772258 343531278 /nfs/dbraw/zinc/53/12/78/343531278.db2.gz CHWPAYBSXBTPBF-GXSJLCMTSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccc(F)cc1[C@@H]1CC[C@@H](O)C1 70772254 343531281 /nfs/dbraw/zinc/53/12/81/343531281.db2.gz CHWPAYBSXBTPBF-MWLCHTKSSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1cccc(C[C@H]2CC[C@@H](O)C2)c1 70772491 343531285 /nfs/dbraw/zinc/53/12/85/343531285.db2.gz KNRWETOYZALXGX-CHWSQXEVSA-N 0 0 190.286 2.699 10 0 AFAERN O[C@@H]1CC[C@@H](c2c(F)cccc2F)C1 70772679 343531293 /nfs/dbraw/zinc/53/12/93/343531293.db2.gz TTYNNUWRWSUYLC-HTQZYQBOSA-N 0 0 198.212 2.593 10 0 AFAERN CC[C@H](C)C[C@@H]1CCC[C@H](O)C1 70774193 343531296 /nfs/dbraw/zinc/53/12/96/343531296.db2.gz COILEFYVKZXNNM-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)C[C@@H]1CC[C@H](O)C1 70772176 343531298 /nfs/dbraw/zinc/53/12/98/343531298.db2.gz NQLDYQPHGFOUII-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@@H]1CCC[C@H](c2ccc(F)cc2)C1 70773971 343531315 /nfs/dbraw/zinc/53/13/15/343531315.db2.gz PMNQIPKKMAEXAM-CMPLNLGQSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@@H]1CC[C@H](c2ccc(F)c(F)c2)C1 70772648 343531318 /nfs/dbraw/zinc/53/13/18/343531318.db2.gz IJUMUFZMZMNRFG-IONNQARKSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CCC[C@H](c2ccc(F)cc2)C1 70773965 343531320 /nfs/dbraw/zinc/53/13/20/343531320.db2.gz PMNQIPKKMAEXAM-JQWIXIFHSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@@H]1CCCC[C@H](c2ccoc2)C1 70776504 343531622 /nfs/dbraw/zinc/53/16/22/343531622.db2.gz YBAKLYJBRJKORB-GXSJLCMTSA-N 0 0 180.247 2.688 10 0 AFAERN O[C@@H]1CCC[C@@H](Cc2ccsc2)C1 70774646 343531736 /nfs/dbraw/zinc/53/17/36/343531736.db2.gz XQVBAIHCSZRADH-GXSJLCMTSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@H]1CCCC[C@H](c2ccoc2)C1 70776498 343531777 /nfs/dbraw/zinc/53/17/77/343531777.db2.gz YBAKLYJBRJKORB-ONGXEEELSA-N 0 0 180.247 2.688 10 0 AFAERN CCC[C@H](C)c1nc2cc[nH]cc-2n1 70801568 343532680 /nfs/dbraw/zinc/53/26/80/343532680.db2.gz UYZPEVSUCVNDPJ-QMMMGPOBSA-N 0 0 189.262 2.862 10 0 AFAERN CCC[C@@H](C)c1nc2cc[nH]cc-2n1 70801567 343532689 /nfs/dbraw/zinc/53/26/89/343532689.db2.gz UYZPEVSUCVNDPJ-MRVPVSSYSA-N 0 0 189.262 2.862 10 0 AFAERN CCC(CC)c1nc2cc[nH]cc-2n1 70801603 343532871 /nfs/dbraw/zinc/53/28/71/343532871.db2.gz YZJRUBVTWMBUPN-UHFFFAOYSA-N 0 0 189.262 2.862 10 0 AFAERN CCCNc1nnc(Cl)c(C)c1C 70820725 343533338 /nfs/dbraw/zinc/53/33/38/343533338.db2.gz ZZWSJCCKDGTYLB-UHFFFAOYSA-N 0 0 199.685 2.569 10 0 AFAERN Cc1c(Cl)nnc(NC(C)C)c1C 70820728 343533351 /nfs/dbraw/zinc/53/33/51/343533351.db2.gz GZNAERIFWRAGKO-UHFFFAOYSA-N 0 0 199.685 2.567 10 0 AFAERN Cc1cccc(Cn2nccc2C)c1 70823861 343534071 /nfs/dbraw/zinc/53/40/71/343534071.db2.gz NNBRVGHXVVICTM-UHFFFAOYSA-N 0 0 186.258 2.548 10 0 AFAERN CC(C)(C)Cc1nnc(Cl)s1 71050621 343549978 /nfs/dbraw/zinc/54/99/78/343549978.db2.gz SUXNPPQDGZUOOM-UHFFFAOYSA-N 0 0 190.699 2.780 10 0 AFAERN C[C@@H]1CCC[C@@H]1Nc1cccc(N)c1 70828358 343534330 /nfs/dbraw/zinc/53/43/30/343534330.db2.gz YNHPDRSBWHQTET-SKDRFNHKSA-N 0 0 190.290 2.869 10 0 AFAERN C[C@@H]1CCC[C@H]1Nc1cccc(N)c1 70828365 343534337 /nfs/dbraw/zinc/53/43/37/343534337.db2.gz YNHPDRSBWHQTET-BXKDBHETSA-N 0 0 190.290 2.869 10 0 AFAERN C[C@H]1CCC[C@@H]1Nc1cccc(N)c1 70828362 343534355 /nfs/dbraw/zinc/53/43/55/343534355.db2.gz YNHPDRSBWHQTET-CABZTGNLSA-N 0 0 190.290 2.869 10 0 AFAERN C[C@H]1CCC[C@H]1Nc1cccc(N)c1 70828369 343534371 /nfs/dbraw/zinc/53/43/71/343534371.db2.gz YNHPDRSBWHQTET-JOYOIKCWSA-N 0 0 190.290 2.869 10 0 AFAERN C[C@H]1CCC[C@@H]1n1cc[nH]c1=S 70833332 343535196 /nfs/dbraw/zinc/53/51/96/343535196.db2.gz USOOFOBRLIEMGA-YUMQZZPRSA-N 0 0 182.292 2.907 10 0 AFAERN Cc1n[nH]c(=S)n1[C@H]1CCC[C@@H]1C 70833390 343535212 /nfs/dbraw/zinc/53/52/12/343535212.db2.gz HOQNNUKEEGDHNS-XPUUQOCRSA-N 0 0 197.307 2.610 10 0 AFAERN C[C@@H]1CCC[C@@H]1n1cc[nH]c1=S 70833329 343535274 /nfs/dbraw/zinc/53/52/74/343535274.db2.gz USOOFOBRLIEMGA-SFYZADRCSA-N 0 0 182.292 2.907 10 0 AFAERN C[C@@H]1CCC[C@@H]1n1cccc1C=O 70834170 343535513 /nfs/dbraw/zinc/53/55/13/343535513.db2.gz KTBOHQOJOARXOA-KOLCDFICSA-N 0 0 177.247 2.662 10 0 AFAERN C[C@@H]1CCC[C@H]1n1cccc1C=O 70834177 343535590 /nfs/dbraw/zinc/53/55/90/343535590.db2.gz KTBOHQOJOARXOA-MWLCHTKSSA-N 0 0 177.247 2.662 10 0 AFAERN C[C@@H]1CCC[C@@H]1n1cccc1 70834589 343535595 /nfs/dbraw/zinc/53/55/95/343535595.db2.gz IIFIVULCXNBLQG-ZJUUUORDSA-N 0 0 149.237 2.849 10 0 AFAERN C[C@@H]1CCC[C@H]1n1cccc1 70834594 343535615 /nfs/dbraw/zinc/53/56/15/343535615.db2.gz IIFIVULCXNBLQG-NXEZZACHSA-N 0 0 149.237 2.849 10 0 AFAERN C[C@H]1CCC[C@@H]1n1cccc1 70834593 343535633 /nfs/dbraw/zinc/53/56/33/343535633.db2.gz IIFIVULCXNBLQG-UWVGGRQHSA-N 0 0 149.237 2.849 10 0 AFAERN C[C@H]1CCC[C@@H]1n1cccc1C=O 70834173 343535664 /nfs/dbraw/zinc/53/56/64/343535664.db2.gz KTBOHQOJOARXOA-ONGXEEELSA-N 0 0 177.247 2.662 10 0 AFAERN C[C@H]1CCC[C@H]1n1cccc1C=O 70834179 343535686 /nfs/dbraw/zinc/53/56/86/343535686.db2.gz KTBOHQOJOARXOA-GXSJLCMTSA-N 0 0 177.247 2.662 10 0 AFAERN C[C@H]1CCC[C@H]1n1cccc1 70834597 343535689 /nfs/dbraw/zinc/53/56/89/343535689.db2.gz IIFIVULCXNBLQG-VHSXEESVSA-N 0 0 149.237 2.849 10 0 AFAERN Nc1nsc(C2CCCCCC2)n1 70838864 343536317 /nfs/dbraw/zinc/53/63/17/343536317.db2.gz IBCVGGXAHPWWCG-UHFFFAOYSA-N 0 0 197.307 2.558 10 0 AFAERN C[C@@H](O)c1csc(C2CCCC2)n1 70843122 343537148 /nfs/dbraw/zinc/53/71/48/343537148.db2.gz UIYGVKNZZYTJGB-SSDOTTSWSA-N 0 0 197.303 2.854 10 0 AFAERN C[C@H](O)c1csc(C2CCCC2)n1 70843118 343537425 /nfs/dbraw/zinc/53/74/25/343537425.db2.gz UIYGVKNZZYTJGB-ZETCQYMHSA-N 0 0 197.303 2.854 10 0 AFAERN CC[C@H](C)c1nc([C@H](C)O)cs1 70844020 343537768 /nfs/dbraw/zinc/53/77/68/343537768.db2.gz XGTIVOPREVKMIN-BQBZGAKWSA-N 0 0 185.292 2.710 10 0 AFAERN CC[C@H](C)c1nc([C@@H](C)O)cs1 70844002 343537778 /nfs/dbraw/zinc/53/77/78/343537778.db2.gz XGTIVOPREVKMIN-NKWVEPMBSA-N 0 0 185.292 2.710 10 0 AFAERN OC1(CCC(F)(F)F)CCCC1 70916770 343542108 /nfs/dbraw/zinc/54/21/08/343542108.db2.gz RYXRHAIXQRDFNF-UHFFFAOYSA-N 0 0 182.185 2.634 10 0 AFAERN CNc1nccc(C2CCCCC2)n1 70951539 343543721 /nfs/dbraw/zinc/54/37/21/343543721.db2.gz XHDFMWSJONMJAN-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN CNc1nc(C(C)C)cc(C2CC2)n1 70952370 343543776 /nfs/dbraw/zinc/54/37/76/343543776.db2.gz SOBSSHKAFNPKBT-UHFFFAOYSA-N 0 0 191.278 2.519 10 0 AFAERN CCCc1cc(C(C)C)nc(NC)n1 70952362 343544102 /nfs/dbraw/zinc/54/41/02/343544102.db2.gz IWQQBXUOUXRXDM-UHFFFAOYSA-N 0 0 193.294 2.594 10 0 AFAERN CNc1nc(C(C)C)cc(C(C)C)n1 70952367 343544112 /nfs/dbraw/zinc/54/41/12/343544112.db2.gz GOBCHGXYBYVNFL-UHFFFAOYSA-N 0 0 193.294 2.765 10 0 AFAERN Cc1ccncc1NCCC(C)C 70957817 343544413 /nfs/dbraw/zinc/54/44/13/343544413.db2.gz PHOSLNAYRMGCDC-UHFFFAOYSA-N 0 0 178.279 2.848 10 0 AFAERN Cc1ccncc1N[C@H](C)C1(C)CC1 70958328 343544486 /nfs/dbraw/zinc/54/44/86/343544486.db2.gz NZUSCLQTTKDINF-SNVBAGLBSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1nc(Cl)c2c(n1)CCCCC2 71002669 343547432 /nfs/dbraw/zinc/54/74/32/343547432.db2.gz DPOIBBCOHZVOLM-UHFFFAOYSA-N 0 0 196.681 2.707 10 0 AFAERN CC(C)n1[nH]c(C2CC2)cc1=S 71006971 343547671 /nfs/dbraw/zinc/54/76/71/343547671.db2.gz IEDVGTANTZDXCX-UHFFFAOYSA-N 0 0 182.292 2.630 10 0 AFAERN CC(C)Cn1[nH]c(C2CC2)cc1=S 71006895 343547785 /nfs/dbraw/zinc/54/77/85/343547785.db2.gz VCKBBIUPMQEJBI-UHFFFAOYSA-N 0 0 196.319 2.705 10 0 AFAERN CC(C)(C)n1[nH]c(C2CC2)cc1=S 71006891 343547879 /nfs/dbraw/zinc/54/78/79/343547879.db2.gz UZZSTZWQWVVXKZ-UHFFFAOYSA-N 0 0 196.319 2.804 10 0 AFAERN Cc1ccc(CC[C@H](O)C2CC2)cc1 71007594 343547920 /nfs/dbraw/zinc/54/79/20/343547920.db2.gz XEFOGOMELWBHPM-ZDUSSCGKSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc(CC[C@@H](O)C2CC2)cc1 71007595 343547973 /nfs/dbraw/zinc/54/79/73/343547973.db2.gz XEFOGOMELWBHPM-CYBMUJFWSA-N 0 0 190.286 2.699 10 0 AFAERN C[C@@H](O)c1nc(C2CCCC2)cs1 71026705 343549173 /nfs/dbraw/zinc/54/91/73/343549173.db2.gz PGKDDELTFNWSLO-SSDOTTSWSA-N 0 0 197.303 2.854 10 0 AFAERN Cc1sc([C@@H](C)O)nc1C(C)C 71026462 343549291 /nfs/dbraw/zinc/54/92/91/343549291.db2.gz UPFOMIXOSGEWRK-ZCFIWIBFSA-N 0 0 185.292 2.628 10 0 AFAERN C[C@H](O)c1nc(C2CCCC2)cs1 71026704 343549399 /nfs/dbraw/zinc/54/93/99/343549399.db2.gz PGKDDELTFNWSLO-ZETCQYMHSA-N 0 0 197.303 2.854 10 0 AFAERN Cc1sc([C@H](C)O)nc1C(C)C 71026464 343549450 /nfs/dbraw/zinc/54/94/50/343549450.db2.gz UPFOMIXOSGEWRK-LURJTMIESA-N 0 0 185.292 2.628 10 0 AFAERN Cc1cc(F)c2c(c1)C[C@H](C)CN2 71049390 343549638 /nfs/dbraw/zinc/54/96/38/343549638.db2.gz CWYJXLKURRPYTK-QMMMGPOBSA-N 0 0 179.238 2.738 10 0 AFAERN COc1cc(C)c2c(c1)C[C@H](C)CN2 71049714 343549607 /nfs/dbraw/zinc/54/96/07/343549607.db2.gz CZWHFMONRDGEPV-QMMMGPOBSA-N 0 0 191.274 2.608 10 0 AFAERN C[C@H]1CNc2cc(F)cc(F)c2C1 71049312 343549615 /nfs/dbraw/zinc/54/96/15/343549615.db2.gz QIYDEGLNHHLRPE-ZCFIWIBFSA-N 0 0 183.201 2.569 10 0 AFAERN Cc1ccc(F)c2c1NC[C@@H](C)C2 71049368 343549631 /nfs/dbraw/zinc/54/96/31/343549631.db2.gz LEXKCJOJRRYPRY-ZETCQYMHSA-N 0 0 179.238 2.738 10 0 AFAERN C[C@@H]1CNc2cc(F)cc(F)c2C1 71049315 343549634 /nfs/dbraw/zinc/54/96/34/343549634.db2.gz QIYDEGLNHHLRPE-LURJTMIESA-N 0 0 183.201 2.569 10 0 AFAERN CC(C)CCc1nnc(Cl)s1 71050844 343549650 /nfs/dbraw/zinc/54/96/50/343549650.db2.gz KWWSDPVLWDRERF-UHFFFAOYSA-N 0 0 190.699 2.780 10 0 AFAERN C[C@H]1CNc2c(F)ccc(F)c2C1 71049596 343549658 /nfs/dbraw/zinc/54/96/58/343549658.db2.gz ZVHMQAOOMHDMAR-ZCFIWIBFSA-N 0 0 183.201 2.569 10 0 AFAERN CC[C@H]1CNc2c(F)ccc(F)c2C1 71049592 343549664 /nfs/dbraw/zinc/54/96/64/343549664.db2.gz PEHYPJOYANWBLG-SSDOTTSWSA-N 0 0 197.228 2.959 10 0 AFAERN CC[C@@H]1CNc2cc(F)c(F)cc2C1 71049628 343549667 /nfs/dbraw/zinc/54/96/67/343549667.db2.gz UXDPVYSFQAHHMC-ZETCQYMHSA-N 0 0 197.228 2.959 10 0 AFAERN CCC(C)(C)c1nnc(Cl)s1 71050935 343549671 /nfs/dbraw/zinc/54/96/71/343549671.db2.gz ICZWECBNNFOMFN-UHFFFAOYSA-N 0 0 190.699 2.879 10 0 AFAERN Cc1cc(F)c2c(c1)C[C@@H](C)CN2 71049388 343549712 /nfs/dbraw/zinc/54/97/12/343549712.db2.gz CWYJXLKURRPYTK-MRVPVSSYSA-N 0 0 179.238 2.738 10 0 AFAERN COc1cc(C)c2c(c1)C[C@@H](C)CN2 71049711 343549720 /nfs/dbraw/zinc/54/97/20/343549720.db2.gz CZWHFMONRDGEPV-MRVPVSSYSA-N 0 0 191.274 2.608 10 0 AFAERN Cc1c(F)ccc2c1NC[C@@H](C)C2 71049843 343549764 /nfs/dbraw/zinc/54/97/64/343549764.db2.gz KNZOXBDNULXKTR-ZETCQYMHSA-N 0 0 179.238 2.738 10 0 AFAERN C[C@@H]1CNc2cc(F)c(F)cc2C1 71049632 343549778 /nfs/dbraw/zinc/54/97/78/343549778.db2.gz DQZCLIWODZDTSA-LURJTMIESA-N 0 0 183.201 2.569 10 0 AFAERN CC[C@@H]1CNc2c(F)cc(F)cc2C1 71049439 343549812 /nfs/dbraw/zinc/54/98/12/343549812.db2.gz FXCIKXYRFLNSII-ZETCQYMHSA-N 0 0 197.228 2.959 10 0 AFAERN Cc1ccc(F)c2c1C[C@@H](C)CN2 71049514 343549830 /nfs/dbraw/zinc/54/98/30/343549830.db2.gz PJTAUBHBMXRVKZ-SSDOTTSWSA-N 0 0 179.238 2.738 10 0 AFAERN C[C@@H]1CNc2c(F)ccc(F)c2C1 71049599 343549837 /nfs/dbraw/zinc/54/98/37/343549837.db2.gz ZVHMQAOOMHDMAR-LURJTMIESA-N 0 0 183.201 2.569 10 0 AFAERN CC[C@@H](C)c1nnc(Cl)s1 71050624 343549841 /nfs/dbraw/zinc/54/98/41/343549841.db2.gz AYECNIVBWLTYAJ-SCSAIBSYSA-N 0 0 176.672 2.705 10 0 AFAERN CC[C@H]1CNc2c(F)cc(F)cc2C1 71049436 343549871 /nfs/dbraw/zinc/54/98/71/343549871.db2.gz FXCIKXYRFLNSII-SSDOTTSWSA-N 0 0 197.228 2.959 10 0 AFAERN Cc1c(F)ccc2c1NC[C@H](C)C2 71049841 343549879 /nfs/dbraw/zinc/54/98/79/343549879.db2.gz KNZOXBDNULXKTR-SSDOTTSWSA-N 0 0 179.238 2.738 10 0 AFAERN CC[C@H]1CNc2cc(F)cc(F)c2C1 71049307 343549883 /nfs/dbraw/zinc/54/98/83/343549883.db2.gz WCUAXHZOBWVRKG-SSDOTTSWSA-N 0 0 197.228 2.959 10 0 AFAERN Cc1ccc(F)c2c1C[C@H](C)CN2 71049511 343549894 /nfs/dbraw/zinc/54/98/94/343549894.db2.gz PJTAUBHBMXRVKZ-ZETCQYMHSA-N 0 0 179.238 2.738 10 0 AFAERN CC[C@H](C)c1nnc(Cl)s1 71050648 343549908 /nfs/dbraw/zinc/54/99/08/343549908.db2.gz AYECNIVBWLTYAJ-BYPYZUCNSA-N 0 0 176.672 2.705 10 0 AFAERN Clc1nnc(C2CCCC2)s1 71050832 343549956 /nfs/dbraw/zinc/54/99/56/343549956.db2.gz CGECMNWDKFOZPC-UHFFFAOYSA-N 0 0 188.683 2.849 10 0 AFAERN Cc1cc(F)cc2c1NC[C@@H](C)C2 71049543 343549958 /nfs/dbraw/zinc/54/99/58/343549958.db2.gz IAQKIFIZJGCTBK-ZETCQYMHSA-N 0 0 179.238 2.738 10 0 AFAERN C[C@H]1CNc2cc(F)c(F)cc2C1 71049630 343549965 /nfs/dbraw/zinc/54/99/65/343549965.db2.gz DQZCLIWODZDTSA-ZCFIWIBFSA-N 0 0 183.201 2.569 10 0 AFAERN CCCCc1nnc(Cl)s1 71050531 343549971 /nfs/dbraw/zinc/54/99/71/343549971.db2.gz JLTFCYNKIQTETO-UHFFFAOYSA-N 0 0 176.672 2.534 10 0 AFAERN CC[C@@H]1CNc2cc(F)cc(F)c2C1 71049310 343549975 /nfs/dbraw/zinc/54/99/75/343549975.db2.gz WCUAXHZOBWVRKG-ZETCQYMHSA-N 0 0 197.228 2.959 10 0 AFAERN Cc1cc(F)cc2c1NC[C@H](C)C2 71049539 343549981 /nfs/dbraw/zinc/54/99/81/343549981.db2.gz IAQKIFIZJGCTBK-SSDOTTSWSA-N 0 0 179.238 2.738 10 0 AFAERN Cc1ccc(F)c2c1NC[C@H](C)C2 71049366 343549990 /nfs/dbraw/zinc/54/99/90/343549990.db2.gz LEXKCJOJRRYPRY-SSDOTTSWSA-N 0 0 179.238 2.738 10 0 AFAERN C[C@H]1CNc2c(ccc(F)c2F)C1 71049812 343549993 /nfs/dbraw/zinc/54/99/93/343549993.db2.gz UFUNRRZPVXTFIG-ZCFIWIBFSA-N 0 0 183.201 2.569 10 0 AFAERN C[C@@H]1CNc2c(ccc(F)c2F)C1 71049815 343549997 /nfs/dbraw/zinc/54/99/97/343549997.db2.gz UFUNRRZPVXTFIG-LURJTMIESA-N 0 0 183.201 2.569 10 0 AFAERN C[C@H]1CNc2c(F)cc(F)cc2C1 71049442 343550015 /nfs/dbraw/zinc/55/00/15/343550015.db2.gz HCHMPCWOVJQCFP-ZCFIWIBFSA-N 0 0 183.201 2.569 10 0 AFAERN CC[C@@H]1CNc2c(F)ccc(F)c2C1 71049594 343550021 /nfs/dbraw/zinc/55/00/21/343550021.db2.gz PEHYPJOYANWBLG-ZETCQYMHSA-N 0 0 197.228 2.959 10 0 AFAERN C[C@@H]1CNc2c(F)cc(F)cc2C1 71049443 343550024 /nfs/dbraw/zinc/55/00/24/343550024.db2.gz HCHMPCWOVJQCFP-LURJTMIESA-N 0 0 183.201 2.569 10 0 AFAERN CC[C@@H](C)n1c(Cl)nnc1C1CC1 71052981 343550197 /nfs/dbraw/zinc/55/01/97/343550197.db2.gz DAPSMQBDDCDPCJ-ZCFIWIBFSA-N 0 0 199.685 2.780 10 0 AFAERN CC[C@H]1CNc2cc(F)c(F)cc2C1 71049627 343550047 /nfs/dbraw/zinc/55/00/47/343550047.db2.gz UXDPVYSFQAHHMC-SSDOTTSWSA-N 0 0 197.228 2.959 10 0 AFAERN C[C@H]1CCC[C@H](n2cnnc2Cl)C1 71053552 343550136 /nfs/dbraw/zinc/55/01/36/343550136.db2.gz IJHBQMXHXQRFER-YUMQZZPRSA-N 0 0 199.685 2.683 10 0 AFAERN C[C@H]1CCCC[C@@H]1n1cnnc1Cl 71053329 343550140 /nfs/dbraw/zinc/55/01/40/343550140.db2.gz XSEYRZZLBNDLKQ-YUMQZZPRSA-N 0 0 199.685 2.683 10 0 AFAERN C[C@@H]1CCCC[C@H]1n1cnnc1Cl 71053330 343550223 /nfs/dbraw/zinc/55/02/23/343550223.db2.gz XSEYRZZLBNDLKQ-HTQZYQBOSA-N 0 0 199.685 2.683 10 0 AFAERN CCC[C@H](C)n1c(C)nnc1Cl 71052831 343550167 /nfs/dbraw/zinc/55/01/67/343550167.db2.gz OCKIBHYTQSHWFG-LURJTMIESA-N 0 0 187.674 2.601 10 0 AFAERN C[C@@H]1CCCC[C@@H]1n1cnnc1Cl 71053327 343550180 /nfs/dbraw/zinc/55/01/80/343550180.db2.gz XSEYRZZLBNDLKQ-SFYZADRCSA-N 0 0 199.685 2.683 10 0 AFAERN C[C@@H]1CCC[C@H](n2cnnc2Cl)C1 71053549 343550220 /nfs/dbraw/zinc/55/02/20/343550220.db2.gz IJHBQMXHXQRFER-SFYZADRCSA-N 0 0 199.685 2.683 10 0 AFAERN Clc1nncn1C1CCCCCC1 71053516 343550237 /nfs/dbraw/zinc/55/02/37/343550237.db2.gz WPRNMKRLVCKBRD-UHFFFAOYSA-N 0 0 199.685 2.827 10 0 AFAERN CCC(CC)n1c(C)nnc1Cl 71053149 343550249 /nfs/dbraw/zinc/55/02/49/343550249.db2.gz OBFUHWAXYKLDCL-UHFFFAOYSA-N 0 0 187.674 2.601 10 0 AFAERN CCc1nnc(Cl)n1C1CCCC1 71053137 343550260 /nfs/dbraw/zinc/55/02/60/343550260.db2.gz IGJUYLNGGJDYIS-UHFFFAOYSA-N 0 0 199.685 2.609 10 0 AFAERN CCC[C@@H](C)n1c(C)nnc1Cl 71052828 343550277 /nfs/dbraw/zinc/55/02/77/343550277.db2.gz OCKIBHYTQSHWFG-ZCFIWIBFSA-N 0 0 187.674 2.601 10 0 AFAERN CC[C@H](C)n1c(Cl)nnc1C1CC1 71052982 343550286 /nfs/dbraw/zinc/55/02/86/343550286.db2.gz DAPSMQBDDCDPCJ-LURJTMIESA-N 0 0 199.685 2.780 10 0 AFAERN CC(C)c1nnc(Cl)n1C(C)C 71052670 343550313 /nfs/dbraw/zinc/55/03/13/343550313.db2.gz OHSCDKXLKRVYCQ-UHFFFAOYSA-N 0 0 187.674 2.636 10 0 AFAERN CC(C)(C)n1c(Cl)nnc1C1CC1 71052631 343550316 /nfs/dbraw/zinc/55/03/16/343550316.db2.gz MLGJCWSUIDZLLU-UHFFFAOYSA-N 0 0 199.685 2.564 10 0 AFAERN CC1CCC(n2cnnc2Cl)CC1 71053403 343550328 /nfs/dbraw/zinc/55/03/28/343550328.db2.gz GFPWHUXQWJVHAT-UHFFFAOYSA-N 0 0 199.685 2.683 10 0 AFAERN CC(C)(C)c1nnc(Cl)n1C1CC1 71053109 343550344 /nfs/dbraw/zinc/55/03/44/343550344.db2.gz PVANMUPSHRPGBZ-UHFFFAOYSA-N 0 0 199.685 2.564 10 0 AFAERN C[C@H]1CCCC[C@H]1n1cnnc1Cl 71053331 343550378 /nfs/dbraw/zinc/55/03/78/343550378.db2.gz XSEYRZZLBNDLKQ-JGVFFNPUSA-N 0 0 199.685 2.683 10 0 AFAERN Clc1nncn1CC1CCCCC1 71053656 343550398 /nfs/dbraw/zinc/55/03/98/343550398.db2.gz MBEYPNMHHSKPMS-UHFFFAOYSA-N 0 0 199.685 2.512 10 0 AFAERN Cc1nnc(Cl)n1C1CCCCC1 71053203 343550418 /nfs/dbraw/zinc/55/04/18/343550418.db2.gz ZYUXCIJFVQWMDD-UHFFFAOYSA-N 0 0 199.685 2.745 10 0 AFAERN C[C@H]1CCC[C@@H](n2cnnc2Cl)C1 71053559 343550433 /nfs/dbraw/zinc/55/04/33/343550433.db2.gz IJHBQMXHXQRFER-JGVFFNPUSA-N 0 0 199.685 2.683 10 0 AFAERN Clc1nncn1CCC1CCCC1 71054305 343550657 /nfs/dbraw/zinc/55/06/57/343550657.db2.gz RSVKTDKEOVZORH-UHFFFAOYSA-N 0 0 199.685 2.512 10 0 AFAERN CC(C)c1nnc(Cl)n1C1CCC1 71055372 343550675 /nfs/dbraw/zinc/55/06/75/343550675.db2.gz CVUQZIQCSPELQG-UHFFFAOYSA-N 0 0 199.685 2.780 10 0 AFAERN Clc1nnc(C2CC2)n1C1CCC1 71055374 343550772 /nfs/dbraw/zinc/55/07/72/343550772.db2.gz BTFVKLHGPWKUAC-UHFFFAOYSA-N 0 0 197.669 2.534 10 0 AFAERN CC(C)c1nnc(Cl)n1[C@@H]1C[C@H]1C 71055455 343550786 /nfs/dbraw/zinc/55/07/86/343550786.db2.gz TVWNAYYQOOCGPM-RNFRBKRXSA-N 0 0 199.685 2.636 10 0 AFAERN CC(C)c1nnc(Cl)n1[C@H]1C[C@H]1C 71055449 343550790 /nfs/dbraw/zinc/55/07/90/343550790.db2.gz TVWNAYYQOOCGPM-RQJHMYQMSA-N 0 0 199.685 2.636 10 0 AFAERN CC(C)c1nnc(Cl)n1[C@H]1C[C@@H]1C 71055453 343550847 /nfs/dbraw/zinc/55/08/47/343550847.db2.gz TVWNAYYQOOCGPM-BQBZGAKWSA-N 0 0 199.685 2.636 10 0 AFAERN Cc1nnc(Cl)n1[C@@H]1CCC[C@H]1C 71055599 343550851 /nfs/dbraw/zinc/55/08/51/343550851.db2.gz FGBSSCXXWWNQIM-HTRCEHHLSA-N 0 0 199.685 2.601 10 0 AFAERN Cc1nnc(Cl)n1[C@@H]1CCC[C@@H]1C 71055590 343550871 /nfs/dbraw/zinc/55/08/71/343550871.db2.gz FGBSSCXXWWNQIM-POYBYMJQSA-N 0 0 199.685 2.601 10 0 AFAERN Cc1nnc(Cl)n1[C@H]1CCC[C@@H]1C 71055596 343550875 /nfs/dbraw/zinc/55/08/75/343550875.db2.gz FGBSSCXXWWNQIM-XPUUQOCRSA-N 0 0 199.685 2.601 10 0 AFAERN CC1(n2cnnc2Cl)CCCCC1 71056688 343550908 /nfs/dbraw/zinc/55/09/08/343550908.db2.gz RKDCEGNKQPJVEP-UHFFFAOYSA-N 0 0 199.685 2.611 10 0 AFAERN CCCc1nnc(Cl)n1C1CCC1 71055367 343550955 /nfs/dbraw/zinc/55/09/55/343550955.db2.gz DBGUTBHGJGQUOO-UHFFFAOYSA-N 0 0 199.685 2.609 10 0 AFAERN Cc1nnc(Cl)n1[C@H]1CCC[C@H]1C 71055601 343551009 /nfs/dbraw/zinc/55/10/09/343551009.db2.gz FGBSSCXXWWNQIM-SVRRBLITSA-N 0 0 199.685 2.601 10 0 AFAERN c1scc2c1O[C@H]1CCCC[C@H]1O2 71186780 343551277 /nfs/dbraw/zinc/55/12/77/343551277.db2.gz TZDNJCPXSZYGHP-OCAPTIKFSA-N 0 0 196.271 2.831 10 0 AFAERN c1scc2c1O[C@H]1CCCC[C@@H]1O2 71186781 343551299 /nfs/dbraw/zinc/55/12/99/343551299.db2.gz TZDNJCPXSZYGHP-YUMQZZPRSA-N 0 0 196.271 2.831 10 0 AFAERN c1scc2c1O[C@@H]1CCCC[C@H]1O2 71186782 343551532 /nfs/dbraw/zinc/55/15/32/343551532.db2.gz TZDNJCPXSZYGHP-HTQZYQBOSA-N 0 0 196.271 2.831 10 0 AFAERN C[C@H](O)c1c(O)ccc2ccccc12 71445693 343552635 /nfs/dbraw/zinc/55/26/35/343552635.db2.gz VSRKMRHVEZMOOP-QMMMGPOBSA-N 0 0 188.226 2.599 10 0 AFAERN CC(C)c1nc2c(N)cccc2o1 71477707 343552770 /nfs/dbraw/zinc/55/27/70/343552770.db2.gz UGGFLVFZMKVRIW-UHFFFAOYSA-N 0 0 176.219 2.533 10 0 AFAERN Cc1nc(-c2ccc(N)cc2)c(C)o1 71477192 343552776 /nfs/dbraw/zinc/55/27/76/343552776.db2.gz OVRGPAPOXDTNEL-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC[C@@H](O)c1c[nH]c2ccccc12 71452616 343552816 /nfs/dbraw/zinc/55/28/16/343552816.db2.gz BHZJEYQSERQGPU-LLVKDONJSA-N 0 0 175.231 2.611 10 0 AFAERN CC[C@H](O)c1c[nH]c2ccccc12 71452615 343552919 /nfs/dbraw/zinc/55/29/19/343552919.db2.gz BHZJEYQSERQGPU-NSHDSACASA-N 0 0 175.231 2.611 10 0 AFAERN CCc1cc(OC)ccc1[C@@H](O)CC 71463305 343553030 /nfs/dbraw/zinc/55/30/30/343553030.db2.gz QIGQHVLAPUCLRK-LBPRGKRZSA-N 0 0 194.274 2.701 10 0 AFAERN CCc1cc(OC)ccc1[C@H](O)CC 71463304 343553042 /nfs/dbraw/zinc/55/30/42/343553042.db2.gz QIGQHVLAPUCLRK-GFCCVEGCSA-N 0 0 194.274 2.701 10 0 AFAERN CC(C)Oc1ccc(F)cc1[C@H](C)O 71464819 343553043 /nfs/dbraw/zinc/55/30/43/343553043.db2.gz GTEHYZXVMXXQLE-QMMMGPOBSA-N 0 0 198.237 2.666 10 0 AFAERN Cc1ccc(OCC(C)C)c(CO)c1 71409801 343553076 /nfs/dbraw/zinc/55/30/76/343553076.db2.gz PJABVYLDPXCLFU-UHFFFAOYSA-N 0 0 194.274 2.522 10 0 AFAERN CCc1ccc2c(c1)CC[C@H](C)N2 71479830 343553488 /nfs/dbraw/zinc/55/34/88/343553488.db2.gz MGKBQIMXJAUDQH-VIFPVBQESA-N 0 0 175.275 2.996 10 0 AFAERN Cc1cc2c(cc1C)NCCC2 71479817 343553490 /nfs/dbraw/zinc/55/34/90/343553490.db2.gz MWICHHUHAKMGPE-UHFFFAOYSA-N 0 0 161.248 2.662 10 0 AFAERN Cc1ccc2sccc2c1O 71489892 343553980 /nfs/dbraw/zinc/55/39/80/343553980.db2.gz BGQBXFSLARIFEJ-UHFFFAOYSA-N 0 0 164.229 2.915 10 0 AFAERN CC[C@H]1CNc2c(OC)cccc21 71486387 343553959 /nfs/dbraw/zinc/55/39/59/343553959.db2.gz FNZKWTKUQSYMTD-QMMMGPOBSA-N 0 0 177.247 2.614 10 0 AFAERN CC[C@@H]1CNc2c(OC)cccc21 71486385 343554009 /nfs/dbraw/zinc/55/40/09/343554009.db2.gz FNZKWTKUQSYMTD-MRVPVSSYSA-N 0 0 177.247 2.614 10 0 AFAERN O=C(c1cc[nH]c1)C1CCCCC1 71497193 343554508 /nfs/dbraw/zinc/55/45/08/343554508.db2.gz MHHQTHSMXVMXIF-UHFFFAOYSA-N 0 0 177.247 2.778 10 0 AFAERN Cc1ccc(C(=O)C2(C)CC2)cc1 71496823 343554563 /nfs/dbraw/zinc/55/45/63/343554563.db2.gz GLIVXMCIDJSIMJ-UHFFFAOYSA-N 0 0 174.243 2.978 10 0 AFAERN CC1(C(=O)c2ccc(F)cc2)CC1 71497407 343554595 /nfs/dbraw/zinc/55/45/95/343554595.db2.gz WOUUJLJKWKILQC-UHFFFAOYSA-N 0 0 178.206 2.809 10 0 AFAERN CC(C)(C)CC(=O)c1cc[nH]c1 71495887 343554602 /nfs/dbraw/zinc/55/46/02/343554602.db2.gz BMMRBKHQKVLERR-UHFFFAOYSA-N 0 0 165.236 2.634 10 0 AFAERN CCC(=O)c1ccc(NC2CC2)cc1 71500400 343555350 /nfs/dbraw/zinc/55/53/50/343555350.db2.gz ZSCNUFPTYIOYGC-UHFFFAOYSA-N 0 0 189.258 2.854 10 0 AFAERN Cc1ccc(C(=O)c2cc[nH]c2)cc1C 71507872 343555672 /nfs/dbraw/zinc/55/56/72/343555672.db2.gz BTDGGYMLZGGVDX-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN CC1(C(=O)c2ccc(F)cc2F)CC1 71507269 343555693 /nfs/dbraw/zinc/55/56/93/343555693.db2.gz JOTLBSOGGOCPJM-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN CC1(C(=O)c2cc(F)ccc2F)CC1 71507267 343555813 /nfs/dbraw/zinc/55/58/13/343555813.db2.gz CPIVOASLZQKBQX-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN Cc1ccc(-c2nnc(Cl)o2)cc1 71506928 343555842 /nfs/dbraw/zinc/55/58/42/343555842.db2.gz SGYICVZSBDZLPV-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN Cc1ccccc1-c1nnc(Cl)o1 71506926 343555902 /nfs/dbraw/zinc/55/59/02/343555902.db2.gz FHPQDABMTLFSPW-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CC(C)c1cn2cc(F)ccc2n1 71570986 343556409 /nfs/dbraw/zinc/55/64/09/343556409.db2.gz HPWRCHRTLLEJFJ-UHFFFAOYSA-N 0 0 178.210 2.597 10 0 AFAERN Cc1ccc2nc(C(C)(C)C)cn2c1 71570640 343556215 /nfs/dbraw/zinc/55/62/15/343556215.db2.gz HIDZKWGFCOSSBQ-UHFFFAOYSA-N 0 0 188.274 2.940 10 0 AFAERN Cc1cccn2cc(C(C)C)nc12 71570379 343556304 /nfs/dbraw/zinc/55/63/04/343556304.db2.gz SWAPYZQXNFVARX-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN CC(C)(C)c1cn2cc(F)ccc2n1 71570966 343556403 /nfs/dbraw/zinc/55/64/03/343556403.db2.gz ZTXQOFHKXPJLSP-UHFFFAOYSA-N 0 0 192.237 2.771 10 0 AFAERN Cc1ccn2cc(C(C)C)nc2c1 71570517 343556489 /nfs/dbraw/zinc/55/64/89/343556489.db2.gz QIOLONSNCRMPHG-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN Cc1ccc2nc(C(C)C)cn2c1 71570656 343556588 /nfs/dbraw/zinc/55/65/88/343556588.db2.gz ZYWNSMFHBDZHSH-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN CN(Cc1ccccc1)c1cccnc1 71711229 343557535 /nfs/dbraw/zinc/55/75/35/343557535.db2.gz WCGCJVIBRKBJNG-UHFFFAOYSA-N 0 0 198.269 2.718 10 0 AFAERN CN(c1ccccc1)c1nccs1 71711742 343557582 /nfs/dbraw/zinc/55/75/82/343557582.db2.gz YKQZYTOXMLWRHA-UHFFFAOYSA-N 0 0 190.271 2.911 10 0 AFAERN FC1(F)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1(F)F 71788898 343558277 /nfs/dbraw/zinc/55/82/77/343558277.db2.gz RKBDIAMXCKXCEJ-UMRXKNAASA-N 0 0 192.155 2.709 10 0 AFAERN FC1(F)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1(F)F 71788899 343558285 /nfs/dbraw/zinc/55/82/85/343558285.db2.gz RKBDIAMXCKXCEJ-VZFHVOOUSA-N 0 0 192.155 2.709 10 0 AFAERN Cc1ccc2ccc(Cl)nc2n1 71792947 343558758 /nfs/dbraw/zinc/55/87/58/343558758.db2.gz BZUAYTWAYGGYJG-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 in-vitro AFAERN CCc1nnc(Cl)c2ccccc12 72204540 343562065 /nfs/dbraw/zinc/56/20/65/343562065.db2.gz CJUDTRWDSIQBHN-UHFFFAOYSA-N 0 0 192.649 2.846 10 0 AFAERN CCOC(=O)/C=C(/C)C(C)(C)C 72305064 343569226 /nfs/dbraw/zinc/56/92/26/343569226.db2.gz CBUBTSAGSSBGGF-FPLPWBNLSA-N 0 0 170.252 2.542 10 0 AFAERN Cc1ccccc1C=Cc1cc[nH]n1 72416866 343570315 /nfs/dbraw/zinc/57/03/15/343570315.db2.gz MDWCJQICCHRXET-VOTSOKGWSA-N 0 0 184.242 2.889 10 0 AFAERN Cc1ccc(C=Cc2cc[nH]n2)cc1 72416868 343570486 /nfs/dbraw/zinc/57/04/86/343570486.db2.gz KMDDLBRULCYLGT-VOTSOKGWSA-N 0 0 184.242 2.889 10 0 AFAERN O=Cc1nc2cc(Cl)ccc2s1 74238695 343571608 /nfs/dbraw/zinc/57/16/08/343571608.db2.gz HNNRPZSFEGOOJX-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN Cc1cc(C)c2[nH]ccc2c1C=O 74309669 343572181 /nfs/dbraw/zinc/57/21/81/343572181.db2.gz RXMWOOVVPOBTNW-UHFFFAOYSA-N 0 0 173.215 2.597 10 0 AFAERN Cc1cnc(C(C)C)s1 75838997 343578093 /nfs/dbraw/zinc/57/80/93/343578093.db2.gz ADBMRBVPWAPYFV-UHFFFAOYSA-N 0 0 141.239 2.575 10 0 AFAERN Cc1ccc2c(c1)ncn2C(C)C 76208741 343579404 /nfs/dbraw/zinc/57/94/04/343579404.db2.gz JRUBHHLOPGHZIZ-UHFFFAOYSA-N 0 0 174.247 2.926 10 0 AFAERN C[C@H](CO)CCCc1ccccc1 77039626 343580491 /nfs/dbraw/zinc/58/04/91/343580491.db2.gz DRTBYQJIHFSKDT-NSHDSACASA-N 0 0 178.275 2.638 10 0 AFAERN CC[C@@H]1CC=CCC1 78062275 343581501 /nfs/dbraw/zinc/58/15/01/343581501.db2.gz CFOHRCNONSEVOJ-MRVPVSSYSA-N 0 0 110.200 2.753 10 0 in-vitro AFAERN CO[C@@H](C)Cc1cccc(Cl)c1 77905625 343581573 /nfs/dbraw/zinc/58/15/73/343581573.db2.gz CUCQRYQYMJFTJE-QMMMGPOBSA-N 0 0 184.666 2.917 10 0 AFAERN Cc1cc(=O)c(-c2ccccc2)c(C)[nH]1 78169886 343581578 /nfs/dbraw/zinc/58/15/78/343581578.db2.gz OGQGCZKEXJDIHR-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN CC[C@H]1CC=CCC1 78062272 343581906 /nfs/dbraw/zinc/58/19/06/343581906.db2.gz CFOHRCNONSEVOJ-QMMMGPOBSA-N 0 0 110.200 2.753 10 0 in-vitro AFAERN CO/C=C/C1CCCCC1 77905751 343581780 /nfs/dbraw/zinc/58/17/80/343581780.db2.gz KBCFLDLDBXYNPR-BQYQJAHWSA-N 0 0 140.226 2.727 10 0 AFAERN C1CCC([C@H]2CS2)CC1 77979317 343581783 /nfs/dbraw/zinc/58/17/83/343581783.db2.gz SNHCPGJZAXLVRD-MRVPVSSYSA-N 0 0 142.267 2.682 10 0 AFAERN C1CCC([C@@H]2CS2)CC1 77979311 343581895 /nfs/dbraw/zinc/58/18/95/343581895.db2.gz SNHCPGJZAXLVRD-QMMMGPOBSA-N 0 0 142.267 2.682 10 0 AFAERN CC1C[C@H]2CCC[C@@H]2C1 78221398 343582173 /nfs/dbraw/zinc/58/21/73/343582173.db2.gz OWJYQLKKWIHHLI-RKDXNWHRSA-N 0 0 124.227 2.833 10 0 AFAERN CC1C[C@@H]2CCC[C@H]2C1 78221399 343582299 /nfs/dbraw/zinc/58/22/99/343582299.db2.gz OWJYQLKKWIHHLI-IUCAKERBSA-N 0 0 124.227 2.833 10 0 AFAERN CC[C@@H](C)C(C)(F)F 78238149 343582314 /nfs/dbraw/zinc/58/23/14/343582314.db2.gz NSBQAUADNQVRNT-RXMQYKEDSA-N 0 0 122.158 2.688 10 0 AFAERN c1ccc2c(c1)oc1cnccc12 78239579 343582374 /nfs/dbraw/zinc/58/23/74/343582374.db2.gz JREPLUAOJPRKMQ-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN CC[C@H](C)C(C)(F)F 78238150 343582433 /nfs/dbraw/zinc/58/24/33/343582433.db2.gz NSBQAUADNQVRNT-YFKPBYRVSA-N 0 0 122.158 2.688 10 0 AFAERN COc1cccc2c1NC(C)(C)C=C2 78589294 343583787 /nfs/dbraw/zinc/58/37/87/343583787.db2.gz MXSIOIYQAGUFOV-UHFFFAOYSA-N 0 0 189.258 2.913 10 0 AFAERN CCC(=O)NCC[C@H]1CCC[C@@H](C)C1 78830878 343585578 /nfs/dbraw/zinc/58/55/78/343585578.db2.gz PZKRLXFARYUWSS-GHMZBOCLSA-N 0 0 197.322 2.729 10 0 AFAERN CCC(=O)NCC[C@@H]1CCC[C@H](C)C1 78830858 343585727 /nfs/dbraw/zinc/58/57/27/343585727.db2.gz PZKRLXFARYUWSS-QWRGUYRKSA-N 0 0 197.322 2.729 10 0 AFAERN CCC(=O)NCC[C@@H]1CCC[C@@H](C)C1 78830866 343585860 /nfs/dbraw/zinc/58/58/60/343585860.db2.gz PZKRLXFARYUWSS-MNOVXSKESA-N 0 0 197.322 2.729 10 0 AFAERN CCOC(=O)C1(C2CCC2)CCC1 78916546 343585884 /nfs/dbraw/zinc/58/58/84/343585884.db2.gz BIEYHQRBQLNAQT-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC1=Nc2ccccc2N[C@H]1C 78958956 343585895 /nfs/dbraw/zinc/58/58/95/343585895.db2.gz RWGVFDLCOXUIKI-ZETCQYMHSA-N 0 0 160.220 2.593 10 0 AFAERN CCC(=O)NCC[C@H]1CCC[C@H](C)C1 78830861 343585919 /nfs/dbraw/zinc/58/59/19/343585919.db2.gz PZKRLXFARYUWSS-WDEREUQCSA-N 0 0 197.322 2.729 10 0 AFAERN CSCC1=CCCCC1 79757600 343589675 /nfs/dbraw/zinc/58/96/75/343589675.db2.gz KWKQEGPQHGPGFH-UHFFFAOYSA-N 0 0 142.267 2.850 10 0 AFAERN CCc1cc2nc[nH]c2cc1CC 79745193 343589734 /nfs/dbraw/zinc/58/97/34/343589734.db2.gz ZBKIRRCBFCASJU-UHFFFAOYSA-N 0 0 174.247 2.688 10 0 AFAERN CC[PH](CC)(CC)CC 79601920 343589788 /nfs/dbraw/zinc/58/97/88/343589788.db2.gz NUYLCKAJCPYRON-UHFFFAOYSA-N 0 0 148.230 2.816 10 0 AFAERN CCc1c[nH]c2c1C(=O)CC(C)(C)C2 79700620 343589874 /nfs/dbraw/zinc/58/98/74/343589874.db2.gz YQDWURVQAVGRCG-UHFFFAOYSA-N 0 0 191.274 2.732 10 0 AFAERN CO[C@H](C)Cc1ccccc1C 79881371 343589940 /nfs/dbraw/zinc/58/99/40/343589940.db2.gz VQMAGKNAMZAFCH-SNVBAGLBSA-N 0 0 164.248 2.572 10 0 AFAERN CO[C@@H](C)Cc1ccccc1C 79881379 343590053 /nfs/dbraw/zinc/59/00/53/343590053.db2.gz VQMAGKNAMZAFCH-JTQLQIEISA-N 0 0 164.248 2.572 10 0 AFAERN Cc1ccnc2cscc12 79984714 343590282 /nfs/dbraw/zinc/59/02/82/343590282.db2.gz AQQGSLHLSKVUPQ-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN CC(=O)O/C=C/C=C/c1ccccc1 80302259 343591206 /nfs/dbraw/zinc/59/12/06/343591206.db2.gz GICGFVAXZCDLGY-NXZHAISVSA-N 0 0 188.226 2.777 10 0 AFAERN OCCC[C@H]1CCCc2ccccc21 80499642 343591661 /nfs/dbraw/zinc/59/16/61/343591661.db2.gz ZCEDRKCMXGAYNL-GFCCVEGCSA-N 0 0 190.286 2.879 10 0 AFAERN CCO[C@H]1CCCC[C@H]1C 80572525 343591674 /nfs/dbraw/zinc/59/16/74/343591674.db2.gz WAMDOVKECCWRMH-BDAKNGLRSA-N 0 0 142.242 2.602 10 0 AFAERN CC[C@H]1OC(C)(C)c2cccc(N)c21 80480265 343591678 /nfs/dbraw/zinc/59/16/78/343591678.db2.gz FVNAKAKDVORKEH-SNVBAGLBSA-N 0 0 191.274 2.985 10 0 AFAERN CC[C@@H]1OC(C)(C)c2cccc(N)c21 80480267 343591831 /nfs/dbraw/zinc/59/18/31/343591831.db2.gz FVNAKAKDVORKEH-JTQLQIEISA-N 0 0 191.274 2.985 10 0 AFAERN OCCC[C@@H]1CCCc2ccccc21 80499645 343591922 /nfs/dbraw/zinc/59/19/22/343591922.db2.gz ZCEDRKCMXGAYNL-LBPRGKRZSA-N 0 0 190.286 2.879 10 0 AFAERN CCCC/C=C(/C)C(=O)OCC 80774511 343592006 /nfs/dbraw/zinc/59/20/06/343592006.db2.gz CQKCWAUHKMHNGU-HJWRWDBZSA-N 0 0 170.252 2.686 10 0 AFAERN CCCC/C=C(\C)C(=O)OCC 80774510 343592077 /nfs/dbraw/zinc/59/20/77/343592077.db2.gz CQKCWAUHKMHNGU-CMDGGOBGSA-N 0 0 170.252 2.686 10 0 AFAERN C=C[S@@](=O)c1ccc(Cl)cc1 81224568 343593422 /nfs/dbraw/zinc/59/34/22/343593422.db2.gz BSXNEQOQSHKCGF-NSHDSACASA-N 0 0 186.663 2.591 10 0 AFAERN CC(C)[C@H](C)CNc1ccccn1 81070070 343592792 /nfs/dbraw/zinc/59/27/92/343592792.db2.gz BAIVWNZQEMKCAA-SNVBAGLBSA-N 0 0 178.279 2.786 10 0 AFAERN CC(C)[C@@H](C)CNc1ccccn1 81070067 343592809 /nfs/dbraw/zinc/59/28/09/343592809.db2.gz BAIVWNZQEMKCAA-JTQLQIEISA-N 0 0 178.279 2.786 10 0 AFAERN Cc1ccc2sc(=S)nc-2[nH]1 81140999 343592937 /nfs/dbraw/zinc/59/29/37/343592937.db2.gz QRRDRTFJQICHOH-UHFFFAOYSA-N 0 0 182.273 2.662 10 0 AFAERN O=Cc1ccc(CCCCl)cc1 81217491 343593039 /nfs/dbraw/zinc/59/30/39/343593039.db2.gz FFLPFFSSZHHUTA-UHFFFAOYSA-N 0 0 182.650 2.671 10 0 AFAERN CCCC(=O)NC1CCC(C)(C)CC1 81561986 343593427 /nfs/dbraw/zinc/59/34/27/343593427.db2.gz SYIILFCWKGJRSX-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN C=C[S@](=O)c1ccc(Cl)cc1 81224573 343593611 /nfs/dbraw/zinc/59/36/11/343593611.db2.gz BSXNEQOQSHKCGF-LLVKDONJSA-N 0 0 186.663 2.591 10 0 AFAERN Cc1ccc(-c2nc(C)co2)cc1 82006527 343594563 /nfs/dbraw/zinc/59/45/63/343594563.db2.gz SOISZMXSJYXZBB-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CCCC/C=C/[C@H](C)C(C)=O 82033932 343595175 /nfs/dbraw/zinc/59/51/75/343595175.db2.gz WKNJHJPWWSJYGN-FLOXNTQESA-N 0 0 154.253 2.958 10 0 AFAERN CO[P@@](C)(=O)Oc1ccccc1 82116501 343595413 /nfs/dbraw/zinc/59/54/13/343595413.db2.gz DKGFJWDKTSVYKE-GFCCVEGCSA-N 0 0 186.147 2.535 10 0 AFAERN CC(C)CCCCC[C@@H](C)O 82151916 343595445 /nfs/dbraw/zinc/59/54/45/343595445.db2.gz ZVZKLBCGIYWGOU-SNVBAGLBSA-N 0 0 158.285 2.974 10 0 AFAERN S=C1CCC[C@H](c2ccccc2)N1 82110791 343595449 /nfs/dbraw/zinc/59/54/49/343595449.db2.gz CEZCFTUSZRBFFS-SNVBAGLBSA-N 0 0 191.299 2.829 10 0 AFAERN CO[P@](C)(=O)Oc1ccccc1 82116500 343595590 /nfs/dbraw/zinc/59/55/90/343595590.db2.gz DKGFJWDKTSVYKE-LBPRGKRZSA-N 0 0 186.147 2.535 10 0 AFAERN C/C=C\c1cccs1 82105549 343595638 /nfs/dbraw/zinc/59/56/38/343595638.db2.gz NQAAVWYIMDCXDL-RQOWECAXSA-N 0 0 124.208 2.781 10 0 AFAERN CCCCO[C@@H](C)CC 82224937 343595814 /nfs/dbraw/zinc/59/58/14/343595814.db2.gz LPVMPBNUHJKNHA-QMMMGPOBSA-N 0 0 130.231 2.602 10 0 AFAERN CCCCO[C@H](C)CC 82224939 343596171 /nfs/dbraw/zinc/59/61/71/343596171.db2.gz LPVMPBNUHJKNHA-MRVPVSSYSA-N 0 0 130.231 2.602 10 0 AFAERN C[C@H](c1ccccc1)c1cccnc1N 82384360 343599396 /nfs/dbraw/zinc/59/93/96/343599396.db2.gz ZCOCMJXHNDKUKZ-SNVBAGLBSA-N 0 0 198.269 2.816 10 0 AFAERN C[C@@H](c1ccccc1)c1cccnc1N 82384359 343599764 /nfs/dbraw/zinc/59/97/64/343599764.db2.gz ZCOCMJXHNDKUKZ-JTQLQIEISA-N 0 0 198.269 2.816 10 0 AFAERN CCOC(=O)c1cc(C)sc1C 82390100 343600086 /nfs/dbraw/zinc/60/00/86/343600086.db2.gz CSVCZNBOTKZLPZ-UHFFFAOYSA-N 0 0 184.260 2.542 10 0 AFAERN Cc1ccc2c(c1)NCC[C@H]2C 82405007 343601643 /nfs/dbraw/zinc/60/16/43/343601643.db2.gz KGCYNGRFMPUADR-SECBINFHSA-N 0 0 161.248 2.914 10 0 AFAERN Cc1ccc2c(c1)NCC[C@@H]2C 82405006 343601660 /nfs/dbraw/zinc/60/16/60/343601660.db2.gz KGCYNGRFMPUADR-VIFPVBQESA-N 0 0 161.248 2.914 10 0 AFAERN CC(=O)c1scc(C)c1C 82406975 343602497 /nfs/dbraw/zinc/60/24/97/343602497.db2.gz ZDFZFQPGHXBILU-UHFFFAOYSA-N 0 0 154.234 2.568 10 0 AFAERN Clc1cccc(NC2CC2)c1 82710785 343611236 /nfs/dbraw/zinc/61/12/36/343611236.db2.gz BOFNFAVPFUOZNM-UHFFFAOYSA-N 0 0 167.639 2.914 10 0 AFAERN Cc1ccc2cc(C=O)cc(C)c2n1 82768996 343612416 /nfs/dbraw/zinc/61/24/16/343612416.db2.gz OBBBYGNVENATHP-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN CC(C)C[C@@H]1CCC(=O)[C@H]1C 83001604 343616034 /nfs/dbraw/zinc/61/60/34/343616034.db2.gz AZUHNTQJGAWXTF-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)C[C@H]1CCC(=O)[C@H]1C 83001606 343616044 /nfs/dbraw/zinc/61/60/44/343616044.db2.gz AZUHNTQJGAWXTF-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC[C@@H]1CCC(=O)[C@@H]1C 83001607 343616047 /nfs/dbraw/zinc/61/60/47/343616047.db2.gz CLIGNJSBPOXUGL-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC[C@H]1CCC(=O)[C@@H]1C 83001608 343616188 /nfs/dbraw/zinc/61/61/88/343616188.db2.gz CLIGNJSBPOXUGL-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC[C@H]1CCC(=O)[C@H]1C 83001610 343616190 /nfs/dbraw/zinc/61/61/90/343616190.db2.gz CLIGNJSBPOXUGL-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)C[C@@H]1CCC(=O)[C@@H]1C 83001603 343616217 /nfs/dbraw/zinc/61/62/17/343616217.db2.gz AZUHNTQJGAWXTF-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)C[C@H]1CCC(=O)[C@@H]1C 83001605 343616281 /nfs/dbraw/zinc/61/62/81/343616281.db2.gz AZUHNTQJGAWXTF-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC[C@@H]1CCC(=O)[C@H]1C 83001609 343616348 /nfs/dbraw/zinc/61/63/48/343616348.db2.gz CLIGNJSBPOXUGL-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1nnc(NC[C@@H](C)C(C)C)s1 83119628 343616540 /nfs/dbraw/zinc/61/65/40/343616540.db2.gz HERHHZUVPHJDKO-SSDOTTSWSA-N 0 0 199.323 2.551 10 0 AFAERN Cc1nnc(NC[C@H](C)C(C)C)s1 83119629 343616647 /nfs/dbraw/zinc/61/66/47/343616647.db2.gz HERHHZUVPHJDKO-ZETCQYMHSA-N 0 0 199.323 2.551 10 0 AFAERN CC[C@@H](Nc1nnc(C)s1)C(C)C 83119521 343616708 /nfs/dbraw/zinc/61/67/08/343616708.db2.gz XKJRDVBPJIEXHO-MRVPVSSYSA-N 0 0 199.323 2.693 10 0 AFAERN CC[C@H](Nc1nnc(C)s1)C(C)C 83119520 343616728 /nfs/dbraw/zinc/61/67/28/343616728.db2.gz XKJRDVBPJIEXHO-QMMMGPOBSA-N 0 0 199.323 2.693 10 0 AFAERN C[C@H]1C=CC[C@H](C)C1 83332378 343618974 /nfs/dbraw/zinc/61/89/74/343618974.db2.gz YACYBRMPSZPZDF-YUMQZZPRSA-N 0 0 110.200 2.609 10 0 AFAERN CC(C)CSC[C@@H](O)C(C)(C)C 83491619 343620757 /nfs/dbraw/zinc/62/07/57/343620757.db2.gz YCJSRFWYDKZOPA-SECBINFHSA-N 0 0 190.352 2.783 10 0 AFAERN CC(C)CSC[C@H](O)C(C)(C)C 83491618 343620842 /nfs/dbraw/zinc/62/08/42/343620842.db2.gz YCJSRFWYDKZOPA-VIFPVBQESA-N 0 0 190.352 2.783 10 0 AFAERN CCCCC[C@H](O)CSCC 83484711 343620899 /nfs/dbraw/zinc/62/08/99/343620899.db2.gz PGLALUPFPMOHPU-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN CCCCC[C@@H](O)CSCC 83484712 343621061 /nfs/dbraw/zinc/62/10/61/343621061.db2.gz PGLALUPFPMOHPU-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN CCOCCCOc1ccc(C)cc1 83553694 343621156 /nfs/dbraw/zinc/62/11/56/343621156.db2.gz GVFRADWRMPJHCI-UHFFFAOYSA-N 0 0 194.274 2.800 10 0 AFAERN CC(C)(C)C1=C[C@@H](O)CCC1 83545784 343621164 /nfs/dbraw/zinc/62/11/64/343621164.db2.gz CKANZYUEHLTHHE-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN CCOCCCOc1cccc(C)c1 83553697 343621392 /nfs/dbraw/zinc/62/13/92/343621392.db2.gz BLDNDXCRDUHPDJ-UHFFFAOYSA-N 0 0 194.274 2.800 10 0 AFAERN CC(C)(C)C1=C[C@H](O)CCC1 83545781 343621531 /nfs/dbraw/zinc/62/15/31/343621531.db2.gz CKANZYUEHLTHHE-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H](Nc1nc(C)ns1)C(C)C 83648288 343622999 /nfs/dbraw/zinc/62/29/99/343622999.db2.gz FTEDSGBQKXRZLS-QMMMGPOBSA-N 0 0 199.323 2.693 10 0 AFAERN CC[C@@H](Nc1nc(C)ns1)C(C)C 83648290 343623115 /nfs/dbraw/zinc/62/31/15/343623115.db2.gz FTEDSGBQKXRZLS-MRVPVSSYSA-N 0 0 199.323 2.693 10 0 AFAERN Cc1nsc(NC[C@@H](C)C(C)C)n1 83648799 343623144 /nfs/dbraw/zinc/62/31/44/343623144.db2.gz HWKRMKABZFHZET-SSDOTTSWSA-N 0 0 199.323 2.551 10 0 AFAERN Cc1nsc(NC[C@H](C)C(C)C)n1 83648801 343623239 /nfs/dbraw/zinc/62/32/39/343623239.db2.gz HWKRMKABZFHZET-ZETCQYMHSA-N 0 0 199.323 2.551 10 0 AFAERN C[C@@H](CCO)SCc1ccccc1 83812558 343624214 /nfs/dbraw/zinc/62/42/14/343624214.db2.gz WQJPSZCVZALAMC-JTQLQIEISA-N 0 0 196.315 2.691 10 0 AFAERN C[C@H](CCO)SCc1ccccc1 83812559 343624220 /nfs/dbraw/zinc/62/42/20/343624220.db2.gz WQJPSZCVZALAMC-SNVBAGLBSA-N 0 0 196.315 2.691 10 0 AFAERN C[C@H]1CNc2cc(Cl)ccc2N1 83823850 343624481 /nfs/dbraw/zinc/62/44/81/343624481.db2.gz KETYISNANWDTPX-LURJTMIESA-N 0 0 182.654 2.566 10 0 AFAERN Cc1ccncc1-c1ccc(N)cc1 83825670 343625020 /nfs/dbraw/zinc/62/50/20/343625020.db2.gz WONAVCLZYYKTID-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccncc1-c1cc(N)ccc1C 83825259 343625214 /nfs/dbraw/zinc/62/52/14/343625214.db2.gz COMWVOQLOUDBAX-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN COCCCCNc1ccccc1 83824006 343625237 /nfs/dbraw/zinc/62/52/37/343625237.db2.gz DADBWRSJFCLOGL-UHFFFAOYSA-N 0 0 179.263 2.525 10 0 AFAERN CC[C@H](C)C[C@H](C)Nc1cccnn1 83865245 343626715 /nfs/dbraw/zinc/62/67/15/343626715.db2.gz MEZZTHQRNBQMHE-UWVGGRQHSA-N 0 0 193.294 2.713 10 0 AFAERN CC[C@@H](C)C[C@@H](C)Nc1cccnn1 83865242 343626967 /nfs/dbraw/zinc/62/69/67/343626967.db2.gz MEZZTHQRNBQMHE-NXEZZACHSA-N 0 0 193.294 2.713 10 0 AFAERN CC[C@H](C)C[C@@H](C)Nc1cccnn1 83865243 343626970 /nfs/dbraw/zinc/62/69/70/343626970.db2.gz MEZZTHQRNBQMHE-VHSXEESVSA-N 0 0 193.294 2.713 10 0 AFAERN CC[C@@H](C)C[C@H](C)Nc1cccnn1 83865244 343626993 /nfs/dbraw/zinc/62/69/93/343626993.db2.gz MEZZTHQRNBQMHE-ZJUUUORDSA-N 0 0 193.294 2.713 10 0 AFAERN C[C@H](CO)CSCc1ccccc1 84211689 343631721 /nfs/dbraw/zinc/63/17/21/343631721.db2.gz KMFZGSTXBRPYKL-SNVBAGLBSA-N 0 0 196.315 2.548 10 0 AFAERN C[C@@H](CO)CSCc1ccccc1 84211688 343631763 /nfs/dbraw/zinc/63/17/63/343631763.db2.gz KMFZGSTXBRPYKL-JTQLQIEISA-N 0 0 196.315 2.548 10 0 AFAERN OCC1(Cc2ccccc2)CCCC1 85037801 343638751 /nfs/dbraw/zinc/63/87/51/343638751.db2.gz XXANSSUWWAHYBW-UHFFFAOYSA-N 0 0 190.286 2.782 10 0 AFAERN CCCCCSC[C@@H](C)CO 85138492 343639825 /nfs/dbraw/zinc/63/98/25/343639825.db2.gz AIWTXTZBZYICPB-VIFPVBQESA-N 0 0 176.325 2.538 10 0 AFAERN CCCCCSC[C@H](C)CO 85138493 343639865 /nfs/dbraw/zinc/63/98/65/343639865.db2.gz AIWTXTZBZYICPB-SECBINFHSA-N 0 0 176.325 2.538 10 0 AFAERN CCCCCS[C@@H](C)CCO 85145128 343640249 /nfs/dbraw/zinc/64/02/49/343640249.db2.gz HUXKYIBWRFPLOQ-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN CCCCCS[C@H](C)CCO 85145130 343640367 /nfs/dbraw/zinc/64/03/67/343640367.db2.gz HUXKYIBWRFPLOQ-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN CC(C)(C)CCSCCCO 85163384 343641151 /nfs/dbraw/zinc/64/11/51/343641151.db2.gz DQAAFQGODPKNLR-UHFFFAOYSA-N 0 0 176.325 2.538 10 0 AFAERN Cc1[nH]cc2c1[C@@H]1C=C[C@H]2CC1 85224113 343641875 /nfs/dbraw/zinc/64/18/75/343641875.db2.gz YBGYKRWCLCRBRN-DTWKUNHWSA-N 0 0 159.232 2.854 10 0 AFAERN CN(CC1CC1)c1ccc(Cl)cn1 85316356 343642298 /nfs/dbraw/zinc/64/22/98/343642298.db2.gz FJNCKBGYCVHBFC-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN CCCN(C)c1ccc(Cl)cn1 85316336 343642327 /nfs/dbraw/zinc/64/23/27/343642327.db2.gz HALVKZRVFKOQGH-UHFFFAOYSA-N 0 0 184.670 2.581 10 0 AFAERN Cc1ccncc1-c1ccc(C=O)cc1 85441923 343643903 /nfs/dbraw/zinc/64/39/03/343643903.db2.gz PFRBLJOVRJXDBR-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1cc(N)ccc1-c1cnccc1C 85441877 343644053 /nfs/dbraw/zinc/64/40/53/343644053.db2.gz DYHHHUVNGOEGHQ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C=COc1ccc(Cl)cc1 85503270 343644526 /nfs/dbraw/zinc/64/45/26/343644526.db2.gz HDULJDRDAYLILV-UHFFFAOYSA-N 0 0 154.596 2.862 10 0 AFAERN CC(=O)[C@@H](C)c1ccccc1F 85662238 343645991 /nfs/dbraw/zinc/64/59/91/343645991.db2.gz RDNWEJJYMDZLKN-SSDOTTSWSA-N 0 0 166.195 2.518 10 0 AFAERN C[C@H](O)C1CCCCCCC1 85658289 343646024 /nfs/dbraw/zinc/64/60/24/343646024.db2.gz WHHQHKXZNKPFKM-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@H](O)C1CCCCCCC1 85658291 343646081 /nfs/dbraw/zinc/64/60/81/343646081.db2.gz WHHQHKXZNKPFKM-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN CC(=O)[C@H](C)c1ccccc1F 85662240 343646249 /nfs/dbraw/zinc/64/62/49/343646249.db2.gz RDNWEJJYMDZLKN-ZETCQYMHSA-N 0 0 166.195 2.518 10 0 AFAERN CCCCOc1ccc(C=O)c(C)c1 85873958 343647580 /nfs/dbraw/zinc/64/75/80/343647580.db2.gz IXFJKQSFPPWEJR-UHFFFAOYSA-N 0 0 192.258 2.986 10 0 AFAERN Fc1cc(-n2cccn2)ccc1Cl 85938280 343647754 /nfs/dbraw/zinc/64/77/54/343647754.db2.gz BZKFHYFOTCNLIJ-UHFFFAOYSA-N 0 0 196.612 2.665 10 0 AFAERN CSCc1cc(Cl)ccn1 86130980 343650016 /nfs/dbraw/zinc/65/00/16/343650016.db2.gz BALDYPJBNPSYLY-UHFFFAOYSA-N 0 0 173.668 2.598 10 0 AFAERN CC(C)CSCCC(C)(C)O 86234800 343650392 /nfs/dbraw/zinc/65/03/92/343650392.db2.gz BZUBEHBUFRYHGG-UHFFFAOYSA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)/C(=C\c1ccccc1)CO 86209425 343650356 /nfs/dbraw/zinc/65/03/56/343650356.db2.gz PSJHYUZTZPCSPA-WQLSENKSSA-N 0 0 176.259 2.718 10 0 AFAERN C/C(=C\c1ccnc2ccccc12)CO 86210104 343650389 /nfs/dbraw/zinc/65/03/89/343650389.db2.gz GITUQUOBQNEDGY-CSKARUKUSA-N 0 0 199.253 2.630 10 0 AFAERN CCOC(=O)[C@H](F)c1cccc(C)c1 86242892 343650870 /nfs/dbraw/zinc/65/08/70/343650870.db2.gz QZAUJQHPLMOTCI-SNVBAGLBSA-N 0 0 196.221 2.569 10 0 AFAERN CCOC(=O)[C@@H](F)c1ccccc1C 86242857 343650935 /nfs/dbraw/zinc/65/09/35/343650935.db2.gz FILRMCSHKOCAKY-JTQLQIEISA-N 0 0 196.221 2.569 10 0 AFAERN CCOC(=O)[C@H](F)c1ccccc1C 86242856 343651007 /nfs/dbraw/zinc/65/10/07/343651007.db2.gz FILRMCSHKOCAKY-SNVBAGLBSA-N 0 0 196.221 2.569 10 0 AFAERN CCOC(=O)[C@@H](F)c1cccc(C)c1 86242893 343651081 /nfs/dbraw/zinc/65/10/81/343651081.db2.gz QZAUJQHPLMOTCI-JTQLQIEISA-N 0 0 196.221 2.569 10 0 AFAERN CCCSCC[C@@H]1CCCC1=O 86532506 343652505 /nfs/dbraw/zinc/65/25/05/343652505.db2.gz CTSFBVVISVYIHD-VIFPVBQESA-N 0 0 186.320 2.889 10 0 AFAERN CCCSCC[C@H]1CCCC1=O 86532509 343652580 /nfs/dbraw/zinc/65/25/80/343652580.db2.gz CTSFBVVISVYIHD-SECBINFHSA-N 0 0 186.320 2.889 10 0 AFAERN Cc1ccccc1-c1ccncc1CO 86841684 343655898 /nfs/dbraw/zinc/65/58/98/343655898.db2.gz BPCYWAWEEODFJJ-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1c(F)cc(F)c(F)c1F 86861380 343656477 /nfs/dbraw/zinc/65/64/77/343656477.db2.gz QWMNQJQGZZQXKS-UHFFFAOYSA-N 0 0 164.101 2.551 10 0 AFAERN CC1(C)CCC[C@H]1Nc1nncs1 86876068 343656669 /nfs/dbraw/zinc/65/66/69/343656669.db2.gz OPSDFHJNGRZSDN-SSDOTTSWSA-N 0 0 197.307 2.529 10 0 AFAERN CC1(C)CCC[C@@H]1Nc1nncs1 86876066 343656938 /nfs/dbraw/zinc/65/69/38/343656938.db2.gz OPSDFHJNGRZSDN-ZETCQYMHSA-N 0 0 197.307 2.529 10 0 AFAERN O[C@H]1CCc2c(C3CC3)cccc21 87015421 343657400 /nfs/dbraw/zinc/65/74/00/343657400.db2.gz IGMZTSAXNSAYIY-LBPRGKRZSA-N 0 0 174.243 2.544 10 0 AFAERN C[C@H](O)[C@H](C)Sc1ccccc1 87139518 343658015 /nfs/dbraw/zinc/65/80/15/343658015.db2.gz ZPNZKTJWTXMMEW-IUCAKERBSA-N 0 0 182.288 2.548 10 0 AFAERN CC(C)(C)OC(=O)/C=C/c1ccco1 87222835 343658545 /nfs/dbraw/zinc/65/85/45/343658545.db2.gz ATQDIWNIPOBJQL-VOTSOKGWSA-N 0 0 194.230 2.635 10 0 AFAERN O=C1CC2(CCCCCC2)C1 87439760 343661200 /nfs/dbraw/zinc/66/12/00/343661200.db2.gz DVQMAZDBXPLLIY-UHFFFAOYSA-N 0 0 152.237 2.690 10 0 AFAERN C/C=C/CC[C@H](O)CC(C)C 87523326 343661833 /nfs/dbraw/zinc/66/18/33/343661833.db2.gz HIZXCNKTCXFZQJ-YEZKRMTDSA-N 0 0 156.269 2.750 10 0 AFAERN C/C=C/CC[C@@H](O)CC(C)C 87523328 343661997 /nfs/dbraw/zinc/66/19/97/343661997.db2.gz HIZXCNKTCXFZQJ-ORAHPGNNSA-N 0 0 156.269 2.750 10 0 AFAERN CCc1cc(-c2cccnc2)ccc1N 88125616 343667880 /nfs/dbraw/zinc/66/78/80/343667880.db2.gz WONRANHIRJOBLB-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CCC(=O)N[C@@H](C)c1cccc(C)c1 88162356 343668391 /nfs/dbraw/zinc/66/83/91/343668391.db2.gz GYMZBBBPSGZVCF-JTQLQIEISA-N 0 0 191.274 2.582 10 0 AFAERN Cc1ccc2[nH]ccc2c1C 88189393 343669020 /nfs/dbraw/zinc/66/90/20/343669020.db2.gz VHXSIFLDVKFKDG-UHFFFAOYSA-N 0 0 145.205 2.785 10 0 AFAERN CC(C)(C)c1cc(Cl)c(O)cc1N 88259924 343669955 /nfs/dbraw/zinc/66/99/55/343669955.db2.gz TTZIXWCLSFPIIJ-UHFFFAOYSA-N 0 0 199.681 2.925 10 0 AFAERN CC1(C(=O)N2CCCCC2)CCCC1 88318132 343670638 /nfs/dbraw/zinc/67/06/38/343670638.db2.gz AFIGMTPULFSBKE-UHFFFAOYSA-N 0 0 195.306 2.579 10 0 AFAERN C[C@H](O)c1ccc2ccsc2c1 89195374 343672396 /nfs/dbraw/zinc/67/23/96/343672396.db2.gz FXAWOJVGWHTZPD-ZETCQYMHSA-N 0 0 178.256 2.955 10 0 AFAERN CCCCOc1cccc2c[nH]nc12 89200498 343672703 /nfs/dbraw/zinc/67/27/03/343672703.db2.gz LAROMOGZTJYGMN-UHFFFAOYSA-N 0 0 190.246 2.742 10 0 AFAERN CCc1cn2cc(Cl)ccc2n1 89201675 343672976 /nfs/dbraw/zinc/67/29/76/343672976.db2.gz IOOHUMAKLNSBLN-UHFFFAOYSA-N 0 0 180.638 2.550 10 0 AFAERN CCCCc1ccc2c(c1)NCC2 89209795 343673197 /nfs/dbraw/zinc/67/31/97/343673197.db2.gz RBESGQUEGGUVMD-UHFFFAOYSA-N 0 0 175.275 2.997 10 0 AFAERN CCc1ccc(OC)c2[nH]ccc12 89204587 343673261 /nfs/dbraw/zinc/67/32/61/343673261.db2.gz VMGHBTAHOBZNTO-UHFFFAOYSA-N 0 0 175.231 2.739 10 0 AFAERN CCc1c[nH]c2c(OC)cccc12 89204161 343673435 /nfs/dbraw/zinc/67/34/35/343673435.db2.gz COOHAGDQVXCSCP-UHFFFAOYSA-N 0 0 175.231 2.739 10 0 AFAERN CCc1ccc(F)c2[nH]ccc12 89204570 343673447 /nfs/dbraw/zinc/67/34/47/343673447.db2.gz GBXVHRHAEWSJDC-UHFFFAOYSA-N 0 0 163.195 2.869 10 0 AFAERN Cc1cc2scnc2c(Cl)n1 89229134 343673693 /nfs/dbraw/zinc/67/36/93/343673693.db2.gz MWUPZCDPJVKEKK-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN Cc1cnc(Cl)c2ncsc12 89229143 343673757 /nfs/dbraw/zinc/67/37/57/343673757.db2.gz IUOZHXGQEJBOKP-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN Cc1cc2sc(C)nc2c(Cl)n1 89229168 343673759 /nfs/dbraw/zinc/67/37/59/343673759.db2.gz FYZXHIPBIGTGPH-UHFFFAOYSA-N 0 0 198.678 2.962 10 0 AFAERN Cc1nc2ncc(Cl)cc2s1 89229308 343673889 /nfs/dbraw/zinc/67/38/89/343673889.db2.gz JHQIDCLTVPACCV-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN Cc1ccnc2nc(Cl)sc12 89229301 343673899 /nfs/dbraw/zinc/67/38/99/343673899.db2.gz XFRYNQUEHMJPJB-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN Cc1nc2nc(Cl)ccc2s1 89229309 343673944 /nfs/dbraw/zinc/67/39/44/343673944.db2.gz KJBDQSQBKHFXAR-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN CCc1nc2cnc(Cl)cc2s1 89229139 343673965 /nfs/dbraw/zinc/67/39/65/343673965.db2.gz CHBCDPWSPOUXLH-UHFFFAOYSA-N 0 0 198.678 2.907 10 0 AFAERN CC(C)c1nccc2scnc12 89229110 343674012 /nfs/dbraw/zinc/67/40/12/343674012.db2.gz HSDIQXRBOJMBJB-UHFFFAOYSA-N 0 0 178.260 2.815 10 0 AFAERN Cc1nc2c(Cl)nccc2s1 89229127 343674026 /nfs/dbraw/zinc/67/40/26/343674026.db2.gz NOTDCNMHEDSELY-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN Cc1nc2cnc(Cl)cc2s1 89229123 343674040 /nfs/dbraw/zinc/67/40/40/343674040.db2.gz VNBCBSYIISLESV-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN CCc1ccc([C@H](C)O)cc1CC 90159013 343674462 /nfs/dbraw/zinc/67/44/62/343674462.db2.gz MFSZXZJGSMVYNQ-VIFPVBQESA-N 0 0 178.275 2.865 10 0 in-vitro AFAERN CCCC/C=C\C[C@H](O)CC 90216544 343674504 /nfs/dbraw/zinc/67/45/04/343674504.db2.gz MXQZMRCGLIWKRV-GQYWMQPJSA-N 0 0 156.269 2.894 10 0 AFAERN CCC/C=C\CCCCCO 90132015 343674514 /nfs/dbraw/zinc/67/45/14/343674514.db2.gz GBSLQEKRRMETIB-PLNGDYQASA-N 0 0 156.269 2.895 10 0 AFAERN C/C=C/CSC/C=C/C 90158080 343674541 /nfs/dbraw/zinc/67/45/41/343674541.db2.gz GGZYULLMICUYQL-GGWOSOGESA-N 0 0 142.267 2.872 10 0 AFAERN C/C=C\CSC/C=C/C 90158079 343674588 /nfs/dbraw/zinc/67/45/88/343674588.db2.gz GGZYULLMICUYQL-CIIODKQPSA-N 0 0 142.267 2.872 10 0 AFAERN CCSCCOc1ccccc1 90210498 343674604 /nfs/dbraw/zinc/67/46/04/343674604.db2.gz GPBGKSFXKFBXIZ-UHFFFAOYSA-N 0 0 182.288 2.819 10 0 AFAERN CCc1ccc([C@@H](C)O)cc1CC 90159012 343674630 /nfs/dbraw/zinc/67/46/30/343674630.db2.gz MFSZXZJGSMVYNQ-SECBINFHSA-N 0 0 178.275 2.865 10 0 in-vitro AFAERN CCCCC[C@@H]1CCC(=O)OC1 90430652 343675467 /nfs/dbraw/zinc/67/54/67/343675467.db2.gz ZGWVNJINJSKFDM-SECBINFHSA-N 0 0 170.252 2.520 10 0 AFAERN CCCCC[C@H]1CCC(=O)OC1 90430653 343675656 /nfs/dbraw/zinc/67/56/56/343675656.db2.gz ZGWVNJINJSKFDM-VIFPVBQESA-N 0 0 170.252 2.520 10 0 AFAERN C[C@H](CF)c1ccccc1 90557670 343676326 /nfs/dbraw/zinc/67/63/26/343676326.db2.gz RFBUZWVPADPYJE-MRVPVSSYSA-N 0 0 138.185 2.760 10 0 AFAERN Cc1cccnc1-c1cccc(C=O)c1 90669360 343676375 /nfs/dbraw/zinc/67/63/75/343676375.db2.gz BQAJJESTGHYOCM-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN OCC=C1CCCCCCC1 90726645 343677016 /nfs/dbraw/zinc/67/70/16/343677016.db2.gz BPKSFZABUHYHGY-UHFFFAOYSA-N 0 0 154.253 2.649 10 0 AFAERN CC[C@@H](O)Sc1ccccc1C 91363929 343677355 /nfs/dbraw/zinc/67/73/55/343677355.db2.gz NKQFWQGKQRRUOW-JTQLQIEISA-N 0 0 182.288 2.816 10 0 AFAERN Cc1ccc(S[C@@H](C)O)cc1C 91365350 343677421 /nfs/dbraw/zinc/67/74/21/343677421.db2.gz RTUMJXMQAXRDIM-VIFPVBQESA-N 0 0 182.288 2.734 10 0 AFAERN CC[C@@H](O)Sc1cccc(C)c1 91363895 343677485 /nfs/dbraw/zinc/67/74/85/343677485.db2.gz PMFVKKAIZKYBFK-JTQLQIEISA-N 0 0 182.288 2.816 10 0 AFAERN CC[C@H](O)Sc1ccc(C)cc1 91363873 343677554 /nfs/dbraw/zinc/67/75/54/343677554.db2.gz AWBWQSVRFMOBFU-SNVBAGLBSA-N 0 0 182.288 2.816 10 0 AFAERN CC[C@@H](O)Sc1ccc(C)cc1 91363871 343677558 /nfs/dbraw/zinc/67/75/58/343677558.db2.gz AWBWQSVRFMOBFU-JTQLQIEISA-N 0 0 182.288 2.816 10 0 AFAERN CC[C@H](O)Sc1ccccc1C 91363931 343677580 /nfs/dbraw/zinc/67/75/80/343677580.db2.gz NKQFWQGKQRRUOW-SNVBAGLBSA-N 0 0 182.288 2.816 10 0 AFAERN Cc1ccc(-c2cnoc2)cc1 94568727 343678438 /nfs/dbraw/zinc/67/84/38/343678438.db2.gz HFFIASNNRYBLAH-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1ccc(N(C)C(F)(F)F)cc1 95074363 343678990 /nfs/dbraw/zinc/67/89/90/343678990.db2.gz GKIAOGSEYIRBGK-UHFFFAOYSA-N 0 0 189.180 2.951 10 0 AFAERN CN(c1ccccc1F)C(F)(F)F 95074352 343679040 /nfs/dbraw/zinc/67/90/40/343679040.db2.gz LQEGHRLUQBEVPD-UHFFFAOYSA-N 0 0 193.143 2.782 10 0 AFAERN CN(c1cccc(F)c1)C(F)(F)F 95074359 343679049 /nfs/dbraw/zinc/67/90/49/343679049.db2.gz OABZRYMAVOCXOY-UHFFFAOYSA-N 0 0 193.143 2.782 10 0 AFAERN Cc1cccc(N(C)C(F)(F)F)c1 95074357 343679051 /nfs/dbraw/zinc/67/90/51/343679051.db2.gz NYVCMDGAQOTXOS-UHFFFAOYSA-N 0 0 189.180 2.951 10 0 AFAERN Cc1cccc(CNC(F)(F)F)c1 95090221 343680569 /nfs/dbraw/zinc/68/05/69/343680569.db2.gz MMQZWPNFSUPYGC-UHFFFAOYSA-N 0 0 189.180 2.604 10 0 AFAERN Cc1ccc(CNC(F)(F)F)cc1 95090061 343680917 /nfs/dbraw/zinc/68/09/17/343680917.db2.gz AKZPJOKMWPHOTD-UHFFFAOYSA-N 0 0 189.180 2.604 10 0 AFAERN Cc1ccc2c(CO)csc2c1 95090218 343680928 /nfs/dbraw/zinc/68/09/28/343680928.db2.gz CIFANOMNOUQPIS-UHFFFAOYSA-N 0 0 178.256 2.702 10 0 AFAERN CCc1ccc(O)cc1Cl 95711247 343686178 /nfs/dbraw/zinc/68/61/78/343686178.db2.gz KAAUEKCDBCEPPL-UHFFFAOYSA-N 0 0 156.612 2.608 10 0 in-vitro AFAERN CCC(=O)Cc1ccc(SC)cc1 95740262 343687002 /nfs/dbraw/zinc/68/70/02/343687002.db2.gz ZGWJWTIJZNHZKE-UHFFFAOYSA-N 0 0 194.299 2.930 10 0 AFAERN Cc1cc2c3c(c1)ncn3[C@@H](C)CC2 95922467 343689998 /nfs/dbraw/zinc/68/99/98/343689998.db2.gz RUYGXUQUPSEVRH-VIFPVBQESA-N 0 0 186.258 2.852 10 0 AFAERN Cc1ccc2c3c1nc(C)n3CCC2 95922545 343690002 /nfs/dbraw/zinc/69/00/02/343690002.db2.gz NGAURIBNVFPGMK-UHFFFAOYSA-N 0 0 186.258 2.599 10 0 AFAERN Cc1nc2cccc3c2n1CC[C@@H]3C 95922607 343690016 /nfs/dbraw/zinc/69/00/16/343690016.db2.gz ZAJXFIPUENNDNZ-QMMMGPOBSA-N 0 0 186.258 2.852 10 0 AFAERN COc1nc2[nH]c(C)cc2cc1Cl 95920157 343690029 /nfs/dbraw/zinc/69/00/29/343690029.db2.gz VXGMNTKUWSLVLZ-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN CCn1ccc2c(Cl)cncc21 95921482 343690108 /nfs/dbraw/zinc/69/01/08/343690108.db2.gz VGWZALISINVCGI-UHFFFAOYSA-N 0 0 180.638 2.710 10 0 AFAERN Cc1cc2c3c(c1)ncn3[C@H](C)CC2 95922466 343690244 /nfs/dbraw/zinc/69/02/44/343690244.db2.gz RUYGXUQUPSEVRH-SECBINFHSA-N 0 0 186.258 2.852 10 0 AFAERN Cc1nc2cccc3c2n1CC[C@H]3C 95922608 343690314 /nfs/dbraw/zinc/69/03/14/343690314.db2.gz ZAJXFIPUENNDNZ-MRVPVSSYSA-N 0 0 186.258 2.852 10 0 AFAERN C[C@H]1CCn2cnc3cccc1c32 95923959 343690622 /nfs/dbraw/zinc/69/06/22/343690622.db2.gz VHTKJJVOEADPOS-QMMMGPOBSA-N 0 0 172.231 2.544 10 0 AFAERN Cc1c(Cl)ccc2c1O[C@@H](C)C2 95931602 343690690 /nfs/dbraw/zinc/69/06/90/343690690.db2.gz XPKFZBPLRIWATM-LURJTMIESA-N 0 0 182.650 2.972 10 0 AFAERN CCCCCC[C@@H]1C[C@H]1C(=O)OC 95931733 343691020 /nfs/dbraw/zinc/69/10/20/343691020.db2.gz XUNYOLFFGUIJSI-NXEZZACHSA-N 0 0 184.279 2.766 10 0 AFAERN Cc1cncc(C(C)C)c1C 95932111 343691036 /nfs/dbraw/zinc/69/10/36/343691036.db2.gz YDTCXVCHDKHIBL-UHFFFAOYSA-N 0 0 149.237 2.822 10 0 AFAERN CCCCc1cncc(C)c1 95932486 343691038 /nfs/dbraw/zinc/69/10/38/343691038.db2.gz MBTKXDVUASNXSI-UHFFFAOYSA-N 0 0 149.237 2.733 10 0 AFAERN C[C@H]1C[C@@]1(C)C(=O)[C@@]1(C)C[C@H]1C 95934225 343691088 /nfs/dbraw/zinc/69/10/88/343691088.db2.gz YCIGVALQYWWMLE-YDRMRZIKSA-N 0 0 166.264 2.648 10 0 AFAERN CCCCCC[C@H]1C[C@@H]1C(=O)OC 95931732 343691171 /nfs/dbraw/zinc/69/11/71/343691171.db2.gz XUNYOLFFGUIJSI-UWVGGRQHSA-N 0 0 184.279 2.766 10 0 AFAERN CCCCC[C@@H]1[C@H](C)[C@@H]1C(=O)OC 95931775 343691227 /nfs/dbraw/zinc/69/12/27/343691227.db2.gz MRIZSGWNAGLBNF-AEJSXWLSSA-N 0 0 184.279 2.622 10 0 AFAERN CCCCc1ncccc1C 95932482 343691233 /nfs/dbraw/zinc/69/12/33/343691233.db2.gz UIOWFYDMDBRHLM-UHFFFAOYSA-N 0 0 149.237 2.733 10 0 AFAERN Cc1ccnc(-c2ccc(CO)cc2)c1 95935456 343691620 /nfs/dbraw/zinc/69/16/20/343691620.db2.gz NNYOTAHBUCFBDI-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN CCc1cc2cc(Cl)cnc2[nH]1 95937013 343691746 /nfs/dbraw/zinc/69/17/46/343691746.db2.gz SWKVJQITAIBEHV-UHFFFAOYSA-N 0 0 180.638 2.779 10 0 AFAERN C[C@H](O)Sc1cccc(Cl)c1 95935339 343691799 /nfs/dbraw/zinc/69/17/99/343691799.db2.gz CCDHERWTUPFUCN-ZCFIWIBFSA-N 0 0 188.679 2.770 10 0 AFAERN CC[C@H](C)C1(C(=O)NC)CCCCC1 95936232 343691825 /nfs/dbraw/zinc/69/18/25/343691825.db2.gz WAITYFNCXLVEQW-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)c1cc(Cl)ccc1C(N)=O 95935599 343691832 /nfs/dbraw/zinc/69/18/32/343691832.db2.gz RSHVNSMNZICREC-UHFFFAOYSA-N 0 0 197.665 2.562 10 0 AFAERN Cc1cc(Cl)ccc1-c1ncon1 96102595 343695050 /nfs/dbraw/zinc/69/50/50/343695050.db2.gz YHKWJCACDAJFOY-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CCc1cnc(C(C)C)nc1Cl 96311382 343695339 /nfs/dbraw/zinc/69/53/39/343695339.db2.gz LNYKXCRIDIMPAN-UHFFFAOYSA-N 0 0 184.670 2.816 10 0 AFAERN Cc1cnc(C(C)(C)C)nc1Cl 96311372 343695405 /nfs/dbraw/zinc/69/54/05/343695405.db2.gz PAEWDXCAZSLUGH-UHFFFAOYSA-N 0 0 184.670 2.736 10 0 AFAERN CC(C)c1nc2ccc(Cl)nc2[nH]1 96311563 343695526 /nfs/dbraw/zinc/69/55/26/343695526.db2.gz FFOMNNUPAMGKBV-UHFFFAOYSA-N 0 0 195.653 2.735 10 0 AFAERN CCc1cnc(C(C)(C)C)nc1Cl 96311386 343695555 /nfs/dbraw/zinc/69/55/55/343695555.db2.gz RPNAHPLMKHADQJ-UHFFFAOYSA-N 0 0 198.697 2.990 10 0 AFAERN CCCCc1cc(C(=O)OCC)c[nH]1 96304401 343695558 /nfs/dbraw/zinc/69/55/58/343695558.db2.gz SZSYDYYUZLPFJB-UHFFFAOYSA-N 0 0 195.262 2.534 10 0 AFAERN Cc1cccc(C)c1-c1cccc(=O)[nH]1 96311768 343695575 /nfs/dbraw/zinc/69/55/75/343695575.db2.gz BCUJYUCPJBYUBW-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN COc1cc(C)cc2scnc12 96320666 343695750 /nfs/dbraw/zinc/69/57/50/343695750.db2.gz GXSNDKUOFHZIKC-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CCc1ccccc1-c1cccc(=O)[nH]1 96311952 343695800 /nfs/dbraw/zinc/69/58/00/343695800.db2.gz KVEXDXQRGQDREB-UHFFFAOYSA-N 0 0 199.253 2.604 10 0 AFAERN Cc1ccc(-c2cccc(=O)[nH]2)cc1C 96311891 343696014 /nfs/dbraw/zinc/69/60/14/343696014.db2.gz YEMGJSFKDSQIJB-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1cc(O)c2nc(Cl)sc2c1 96320668 343696059 /nfs/dbraw/zinc/69/60/59/343696059.db2.gz VNVUMZXEYJSYAO-UHFFFAOYSA-N 0 0 199.662 2.964 10 0 AFAERN Cc1n[nH]c2cc(Cl)cc(F)c12 96321066 343696343 /nfs/dbraw/zinc/69/63/43/343696343.db2.gz QAYUTNYALIZVOO-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN Cc1cc2c(F)c(Cl)cnc2[nH]1 96321063 343696417 /nfs/dbraw/zinc/69/64/17/343696417.db2.gz ORPXXJNCSUQXOJ-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN COc1cc(Cl)c2cc(C)[nH]c2n1 96321082 343696471 /nfs/dbraw/zinc/69/64/71/343696471.db2.gz MFLFKPXKFTTZRF-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN CCOC(=O)/C(C)=C(\C)C(C)C 96378913 343696732 /nfs/dbraw/zinc/69/67/32/343696732.db2.gz CNFKGCNFMZZNAZ-CMDGGOBGSA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)(C)[S@](=O)Cc1ccccc1 96328752 343696887 /nfs/dbraw/zinc/69/68/87/343696887.db2.gz HOHHGPSMIBONTK-ZDUSSCGKSA-N 0 0 196.315 2.734 10 0 AFAERN CC1=CC=C(C)CC1 96328673 343696901 /nfs/dbraw/zinc/69/69/01/343696901.db2.gz WTCPAFWUNFLPEW-UHFFFAOYSA-N 0 0 108.184 2.673 10 0 AFAERN C1=CC2=CCC=CC(=C2)C=C1 96833184 343701144 /nfs/dbraw/zinc/70/11/44/343701144.db2.gz REZZHUBXVJEUMT-UHFFFAOYSA-N 0 0 141.193 2.739 10 0 AFAERN Cc1ccc(O)c(-c2ccco2)c1 96868744 343701152 /nfs/dbraw/zinc/70/11/52/343701152.db2.gz WGHMRPOSLZNFOL-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN Oc1ccc(F)cc1-c1ccco1 96868763 343701361 /nfs/dbraw/zinc/70/13/61/343701361.db2.gz YBDLJXJIKYNPHR-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN Cc1cc2c(o1)c(N)nc1ccccc12 96914609 343701507 /nfs/dbraw/zinc/70/15/07/343701507.db2.gz JMJNZRRWLKDLJS-UHFFFAOYSA-N 0 0 198.225 2.872 10 0 AFAERN CC[C@@H](NN)c1cccc(C)c1Cl 97684481 343702985 /nfs/dbraw/zinc/70/29/85/343702985.db2.gz UNQOKNUICJGYQF-SECBINFHSA-N 0 0 198.697 2.563 10 0 AFAERN C[C@H](CNc1cccnn1)C(C)(C)C 97635631 343703061 /nfs/dbraw/zinc/70/30/61/343703061.db2.gz WWDPHZFAKPZWRN-SECBINFHSA-N 0 0 193.294 2.571 10 0 AFAERN C[C@@H](CNc1cccnn1)C(C)(C)C 97635630 343703136 /nfs/dbraw/zinc/70/31/36/343703136.db2.gz WWDPHZFAKPZWRN-VIFPVBQESA-N 0 0 193.294 2.571 10 0 AFAERN CC[C@H](NN)c1cccc(C)c1Cl 97684480 343703157 /nfs/dbraw/zinc/70/31/57/343703157.db2.gz UNQOKNUICJGYQF-VIFPVBQESA-N 0 0 198.697 2.563 10 0 AFAERN CC[C@H]1SCc2ccccc2[C@@H]1O 97827283 343703459 /nfs/dbraw/zinc/70/34/59/343703459.db2.gz JEYIFWCOGGSPAY-MNOVXSKESA-N 0 0 194.299 2.745 10 0 AFAERN CC(C)[C@H]1CNc2cccnc2S1 97827190 343703460 /nfs/dbraw/zinc/70/34/60/343703460.db2.gz BDVQWEFVPPADQC-SECBINFHSA-N 0 0 194.303 2.624 10 0 AFAERN CC[C@@H]1SCc2ccccc2C1=O 97827210 343703487 /nfs/dbraw/zinc/70/34/87/343703487.db2.gz ZXXSQSJPVZQIRJ-JTQLQIEISA-N 0 0 192.283 2.895 10 0 AFAERN CC[C@H]1SCc2ccccc2C1=O 97827209 343703510 /nfs/dbraw/zinc/70/35/10/343703510.db2.gz ZXXSQSJPVZQIRJ-SNVBAGLBSA-N 0 0 192.283 2.895 10 0 AFAERN CC[C@H]1SCc2ccccc2[C@H]1O 97827281 343703518 /nfs/dbraw/zinc/70/35/18/343703518.db2.gz JEYIFWCOGGSPAY-GHMZBOCLSA-N 0 0 194.299 2.745 10 0 AFAERN CC(C)[C@@H]1CNc2cccnc2S1 97827189 343703538 /nfs/dbraw/zinc/70/35/38/343703538.db2.gz BDVQWEFVPPADQC-VIFPVBQESA-N 0 0 194.303 2.624 10 0 AFAERN CC[C@@H]1SCc2ccccc2[C@H]1O 97827282 343703649 /nfs/dbraw/zinc/70/36/49/343703649.db2.gz JEYIFWCOGGSPAY-WDEREUQCSA-N 0 0 194.299 2.745 10 0 AFAERN Cc1ccc(F)c2c1CSCC2=O 97857831 343703685 /nfs/dbraw/zinc/70/36/85/343703685.db2.gz JSNYAKHYRPEXHO-UHFFFAOYSA-N 0 0 196.246 2.564 10 0 AFAERN CC1CCC(C(=O)OC(C)C)CC1 97989752 343704176 /nfs/dbraw/zinc/70/41/76/343704176.db2.gz MSQDHJOGCDZOGF-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN c1csc(CC2CCCC2)n1 98177360 343705945 /nfs/dbraw/zinc/70/59/45/343705945.db2.gz RMWMHLXXYDOKQU-UHFFFAOYSA-N 0 0 167.277 2.876 10 0 AFAERN c1ccc2c(c1)CCc1scnc1-2 98177310 343706167 /nfs/dbraw/zinc/70/61/67/343706167.db2.gz CFQJHHPPWGLABH-UHFFFAOYSA-N 0 0 187.267 2.909 10 0 AFAERN CC[C@H]1C[C@@H]1C(=O)C(C)(C)C 98183187 343706417 /nfs/dbraw/zinc/70/64/17/343706417.db2.gz RVMFCCFXYGIJHS-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)[C@@H]1C[C@H]1C(C)(C)C 98183297 343706445 /nfs/dbraw/zinc/70/64/45/343706445.db2.gz DBCPSUFSPYUHEV-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H]1C[C@@H]1C(=O)C(C)(C)C 98183186 343706550 /nfs/dbraw/zinc/70/65/50/343706550.db2.gz RVMFCCFXYGIJHS-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)[C@H]1C[C@H]1C(C)(C)C 98183298 343706553 /nfs/dbraw/zinc/70/65/53/343706553.db2.gz DBCPSUFSPYUHEV-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)[C@@H]1C[C@@H]1C(C)(C)C 98183295 343706583 /nfs/dbraw/zinc/70/65/83/343706583.db2.gz DBCPSUFSPYUHEV-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)[C@H]1C[C@@H]1C(C)(C)C 98183296 343706610 /nfs/dbraw/zinc/70/66/10/343706610.db2.gz DBCPSUFSPYUHEV-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H]1C[C@H]1C(=O)C(C)(C)C 98183189 343706634 /nfs/dbraw/zinc/70/66/34/343706634.db2.gz RVMFCCFXYGIJHS-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)C(C)(C)C 98183188 343706637 /nfs/dbraw/zinc/70/66/37/343706637.db2.gz RVMFCCFXYGIJHS-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc(/C=C/Br)cn1 98187815 343707165 /nfs/dbraw/zinc/70/71/65/343707165.db2.gz KYGQCGQXBBYNTJ-SNAWJCMRSA-N 0 0 198.063 2.756 10 0 AFAERN CC(C)OC(=O)N1[C@@H](C)CCC[C@H]1C 98188453 343707183 /nfs/dbraw/zinc/70/71/83/343707183.db2.gz ZVHCAYYVMFILKM-AOOOYVTPSA-N 0 0 199.294 2.794 10 0 AFAERN CCN[C@H](CC)C1CCCCC1 100046970 343709752 /nfs/dbraw/zinc/70/97/52/343709752.db2.gz BLNXPNBQQAEQFI-LLVKDONJSA-N 0 0 168.304 2.970 10 0 AFAERN CCN[C@@H](CC)C1CCCCC1 100046965 343709761 /nfs/dbraw/zinc/70/97/61/343709761.db2.gz BLNXPNBQQAEQFI-NSHDSACASA-N 0 0 168.304 2.970 10 0 AFAERN CCCCP(O)CCCC 100061030 343710164 /nfs/dbraw/zinc/71/01/64/343710164.db2.gz FOSKLGIMCJXUFR-UHFFFAOYSA-N 0 0 162.213 2.976 10 0 AFAERN Cc1ccc2c(O)cccc2c1 100207819 343712728 /nfs/dbraw/zinc/71/27/28/343712728.db2.gz ADSPZOYPDZFVCY-UHFFFAOYSA-N 0 0 158.200 2.595 10 0 AFAERN CC1=Nc2cccc(C)c2C1 100221349 343712916 /nfs/dbraw/zinc/71/29/16/343712916.db2.gz FHINUDWYVOKYLQ-UHFFFAOYSA-N 0 0 145.205 2.644 10 0 AFAERN CC(=O)Cc1ccc(F)cc1 100239578 343713488 /nfs/dbraw/zinc/71/34/88/343713488.db2.gz XYXUFVNBNYMHQZ-SREVYHEPSA-N 0 0 152.168 2.745 10 0 AFAERN CCc1cc(Cl)ccc1OC 101239878 343723136 /nfs/dbraw/zinc/72/31/36/343723136.db2.gz JNZMQOOTNPVAEG-UHFFFAOYSA-N 0 0 170.639 2.911 10 0 AFAERN CC[C@@H]1C=CCCC1 101446640 343723599 /nfs/dbraw/zinc/72/35/99/343723599.db2.gz BAGSBIKCNLYDJO-MRVPVSSYSA-N 0 0 110.200 2.753 10 0 AFAERN CCCC/C=C/[C@@H](C)C(C)=O 102081612 343725167 /nfs/dbraw/zinc/72/51/67/343725167.db2.gz WKNJHJPWWSJYGN-FCZSHJHJSA-N 0 0 154.253 2.958 10 0 AFAERN C[C@@H](F)C(=O)c1ccc(Cl)cc1 102265485 343725892 /nfs/dbraw/zinc/72/58/92/343725892.db2.gz RVNDVQQSDJGOKA-ZCFIWIBFSA-N 0 0 186.613 2.881 10 0 AFAERN C[C@H](F)C(=O)c1ccc(Cl)cc1 102265483 343725898 /nfs/dbraw/zinc/72/58/98/343725898.db2.gz RVNDVQQSDJGOKA-LURJTMIESA-N 0 0 186.613 2.881 10 0 AFAERN CCN(N)c1cccc2ccccc12 104391753 343731576 /nfs/dbraw/zinc/73/15/76/343731576.db2.gz WLUBRIYKAXYQHR-UHFFFAOYSA-N 0 0 186.258 2.540 10 0 AFAERN CNc1c[nH]c2ccc(C)cc12 104393293 343731628 /nfs/dbraw/zinc/73/16/28/343731628.db2.gz IAHHNAQGUYLDNC-UHFFFAOYSA-N 0 0 160.220 2.518 10 0 AFAERN C=Cc1nnc(-c2ccc(C)cc2)o1 104515412 343732143 /nfs/dbraw/zinc/73/21/43/343732143.db2.gz IBDGLZRVCDZDDI-UHFFFAOYSA-N 0 0 186.214 2.688 10 0 AFAERN CC(F)(F)Oc1cccnc1Cl 104678823 343734663 /nfs/dbraw/zinc/73/46/63/343734663.db2.gz KFSCAOVKSDZOMZ-UHFFFAOYSA-N 0 0 193.580 2.727 10 0 AFAERN CCCCN1C[C@H]1c1ccccc1 104839626 343735896 /nfs/dbraw/zinc/73/58/96/343735896.db2.gz WDZMBYZWOSXOIZ-UEWDXFNNSA-N 0 0 175.275 2.843 10 0 AFAERN Cc1nc2ccc(Cl)cn2c1C 105737062 343736928 /nfs/dbraw/zinc/73/69/28/343736928.db2.gz BYBODUIIVCBOBR-UHFFFAOYSA-N 0 0 180.638 2.605 10 0 AFAERN Cc1cc(Cl)cc2c1O[C@H](C)C2=O 105738202 343737043 /nfs/dbraw/zinc/73/70/43/343737043.db2.gz OBYQRFIDFGSTKS-ZCFIWIBFSA-N 0 0 196.633 2.612 10 0 AFAERN Cc1cc(C)c2c(c1C)O[C@H](C)C2=O 105738217 343737094 /nfs/dbraw/zinc/73/70/94/343737094.db2.gz PPDDERFXUBAEEB-SECBINFHSA-N 0 0 190.242 2.575 10 0 AFAERN C[C@H]1Oc2c(ccc3ccccc23)C1=O 105738179 343737134 /nfs/dbraw/zinc/73/71/34/343737134.db2.gz INUVEALVLUGEKK-MRVPVSSYSA-N 0 0 198.221 2.803 10 0 AFAERN Cc1ccc(Cl)c2c1C(=O)[C@H](C)O2 105738359 343737185 /nfs/dbraw/zinc/73/71/85/343737185.db2.gz VDEWILBOJDYVQA-LURJTMIESA-N 0 0 196.633 2.612 10 0 AFAERN CC(C)c1cccc2c1O[C@H](C)C2=O 105738305 343737263 /nfs/dbraw/zinc/73/72/63/343737263.db2.gz LEVAYLIIBINYRY-MRVPVSSYSA-N 0 0 190.242 2.774 10 0 AFAERN CCc1c(N)cc(C(C)=O)cc1Cl 106126324 343737745 /nfs/dbraw/zinc/73/77/45/343737745.db2.gz FYISWIBXGPELPV-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN C[C@H]1CC[C@@H](NCC(F)(F)F)CC1 106189848 343737808 /nfs/dbraw/zinc/73/78/08/343737808.db2.gz RLJMMKRORJXRHM-ZKCHVHJHSA-N 0 0 195.228 2.717 10 0 AFAERN NOCc1ccc(-c2ccccc2)cc1 106876713 343739514 /nfs/dbraw/zinc/73/95/14/343739514.db2.gz FCOFIQKLFKYHKZ-UHFFFAOYSA-N 0 0 199.253 2.744 10 0 AFAERN Cc1cccc2c1SCCN2 107120659 343741394 /nfs/dbraw/zinc/74/13/94/343741394.db2.gz LSHRLPAKEKBWHF-UHFFFAOYSA-N 0 0 165.261 2.513 10 0 AFAERN Cc1csc2cc(O)ccc12 107120393 343741414 /nfs/dbraw/zinc/74/14/14/343741414.db2.gz ZIIGQHQOIHDLGJ-UHFFFAOYSA-N 0 0 164.229 2.915 10 0 AFAERN CC(C)(F)CNc1ccccc1 107121325 343741496 /nfs/dbraw/zinc/74/14/96/343741496.db2.gz XBEYUSLFFBGTNH-UHFFFAOYSA-N 0 0 167.227 2.847 10 0 AFAERN Cc1cc2c(cc1C)SCCN2 107127186 343742265 /nfs/dbraw/zinc/74/22/65/343742265.db2.gz DCRQUFHBMYCZDS-UHFFFAOYSA-N 0 0 179.288 2.821 10 0 AFAERN Cc1cccc2c1N[C@H](C)CCN2 107125561 343742298 /nfs/dbraw/zinc/74/22/98/343742298.db2.gz QFIQIDCHJYFUBK-SECBINFHSA-N 0 0 176.263 2.611 10 0 AFAERN Cc1cccc2c1N[C@@H](C)CCN2 107125565 343742307 /nfs/dbraw/zinc/74/23/07/343742307.db2.gz QFIQIDCHJYFUBK-VIFPVBQESA-N 0 0 176.263 2.611 10 0 AFAERN Oc1ccccc1-c1cnsc1 107125859 343742395 /nfs/dbraw/zinc/74/23/95/343742395.db2.gz DJYLXZDOGAVXIP-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN Oc1ccc(-c2cnsc2)cc1 107125853 343742418 /nfs/dbraw/zinc/74/24/18/343742418.db2.gz IJEHOFNAIZOJKQ-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN Oc1cccc(-c2cnsc2)c1 107125856 343742529 /nfs/dbraw/zinc/74/25/29/343742529.db2.gz KZZQUDNYMCWPIU-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN Fc1cccc2c1SCCCN2 107129532 343742698 /nfs/dbraw/zinc/74/26/98/343742698.db2.gz AWAOVUHFLNZGAL-UHFFFAOYSA-N 0 0 183.251 2.733 10 0 AFAERN Fc1cccc2c1NCCCS2 107129535 343742756 /nfs/dbraw/zinc/74/27/56/343742756.db2.gz ZEMZOSQUXSAWNJ-UHFFFAOYSA-N 0 0 183.251 2.733 10 0 AFAERN Fc1ccc2c(c1)SCCCN2 107129538 343742845 /nfs/dbraw/zinc/74/28/45/343742845.db2.gz ADCPUWRPSKGNQX-UHFFFAOYSA-N 0 0 183.251 2.733 10 0 AFAERN CC(C)Nc1ccc2c(c1)CCC2=O 107134025 343743201 /nfs/dbraw/zinc/74/32/01/343743201.db2.gz MEPBJKCMXXXBPO-UHFFFAOYSA-N 0 0 189.258 2.636 10 0 AFAERN CC(C)CC[C@]1(O)CCS[C@@H]1C 107133658 343743298 /nfs/dbraw/zinc/74/32/98/343743298.db2.gz SEDMCVSJVPNVGD-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)CC[C@@]1(O)CCS[C@H]1C 107133667 343743346 /nfs/dbraw/zinc/74/33/46/343743346.db2.gz SEDMCVSJVPNVGD-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)CC[C@]1(O)CCS[C@H]1C 107133661 343743368 /nfs/dbraw/zinc/74/33/68/343743368.db2.gz SEDMCVSJVPNVGD-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)CC[C@@]1(O)CCS[C@@H]1C 107133663 343743482 /nfs/dbraw/zinc/74/34/82/343743482.db2.gz SEDMCVSJVPNVGD-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)(C)c1ccc(C=O)c(Cl)n1 107141061 343744123 /nfs/dbraw/zinc/74/41/23/343744123.db2.gz UXLNAKJUGCTJHX-UHFFFAOYSA-N 0 0 197.665 2.845 10 0 AFAERN C[C@H]1CCNc2ccc(Cl)cc2N1 107139818 343744125 /nfs/dbraw/zinc/74/41/25/343744125.db2.gz WZOIAZZGDTXFLQ-ZETCQYMHSA-N 0 0 196.681 2.956 10 0 AFAERN C[C@@H]1CCNc2cc(F)c(F)cc2N1 107141147 343744169 /nfs/dbraw/zinc/74/41/69/343744169.db2.gz ZAKGHPPSJLAOAX-ZCFIWIBFSA-N 0 0 198.216 2.581 10 0 AFAERN C[C@@H]1CCNc2ccc(Cl)cc2N1 107139815 343744235 /nfs/dbraw/zinc/74/42/35/343744235.db2.gz WZOIAZZGDTXFLQ-SSDOTTSWSA-N 0 0 196.681 2.956 10 0 AFAERN C[C@H]1CCNc2cc(F)c(F)cc2N1 107141149 343744272 /nfs/dbraw/zinc/74/42/72/343744272.db2.gz ZAKGHPPSJLAOAX-LURJTMIESA-N 0 0 198.216 2.581 10 0 AFAERN CC(C)n1c(Cl)nc2cnccc21 107186188 343747427 /nfs/dbraw/zinc/74/74/27/343747427.db2.gz LJEAHWSCORCXJV-UHFFFAOYSA-N 0 0 195.653 2.666 10 0 AFAERN CC(C)n1c(Cl)nc2cccnc21 107186190 343747432 /nfs/dbraw/zinc/74/74/32/343747432.db2.gz XKGLBBYZXWBRIC-UHFFFAOYSA-N 0 0 195.653 2.666 10 0 AFAERN C[C@H](F)c1ccc(C=O)cc1 107265649 343748424 /nfs/dbraw/zinc/74/84/24/343748424.db2.gz LCHFMQDYDVQCOC-ZETCQYMHSA-N 0 0 152.168 2.530 10 0 AFAERN C[C@@H](F)c1ccc(C=O)cc1 107265653 343748545 /nfs/dbraw/zinc/74/85/45/343748545.db2.gz LCHFMQDYDVQCOC-SSDOTTSWSA-N 0 0 152.168 2.530 10 0 AFAERN CCc1sc(C=O)cc1Cl 107333978 343749017 /nfs/dbraw/zinc/74/90/17/343749017.db2.gz WRTSHXGKSBKPID-UHFFFAOYSA-N 0 0 174.652 2.776 10 0 AFAERN Cc1ccccc1[S@](=O)C(C)(C)C 107500077 343750235 /nfs/dbraw/zinc/75/02/35/343750235.db2.gz AGJUWIQNUZJADL-CYBMUJFWSA-N 0 0 196.315 2.901 10 0 AFAERN Cc1ccccc1[S@@](=O)C(C)(C)C 107500075 343750354 /nfs/dbraw/zinc/75/03/54/343750354.db2.gz AGJUWIQNUZJADL-ZDUSSCGKSA-N 0 0 196.315 2.901 10 0 AFAERN Cc1[nH]c2ccc(N)cc2c1Cl 108335172 343752276 /nfs/dbraw/zinc/75/22/76/343752276.db2.gz ACWXFTREVHKZTH-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN Cc1ccc2cc(CCO)ccc2c1 108370801 343752841 /nfs/dbraw/zinc/75/28/41/343752841.db2.gz CRDHFJHARQPBFR-UHFFFAOYSA-N 0 0 186.254 2.683 10 0 AFAERN CCCC(=O)N1CC[C@@H]2CCCC[C@@H]21 111248712 343753762 /nfs/dbraw/zinc/75/37/62/343753762.db2.gz DXMRZMRONMBEFE-QWRGUYRKSA-N 0 0 195.306 2.578 10 0 AFAERN C/C=C(C)\C(C)=C/C 111334311 343754160 /nfs/dbraw/zinc/75/41/60/343754160.db2.gz PBGBMQLUDCDJQJ-SFECMWDFSA-N 0 0 110.200 2.919 10 0 AFAERN C/C=C1\C=CCCC1 111333224 343754323 /nfs/dbraw/zinc/75/43/23/343754323.db2.gz HCKKIWXIMBMLCD-KRXBUXKQSA-N 0 0 108.184 2.673 10 0 AFAERN C[C@@H](CP)CC(C)(C)C 111491375 343754674 /nfs/dbraw/zinc/75/46/74/343754674.db2.gz WKUJXKQEUURINH-SSDOTTSWSA-N 0 0 146.214 2.934 10 0 AFAERN CCC(=O)N[C@H]1CCCC[C@H]1C(C)C 112668373 343755180 /nfs/dbraw/zinc/75/51/80/343755180.db2.gz VIQCHDQNBYGBQR-QWRGUYRKSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(=O)N[C@@H]1CCCC[C@H]1C(C)C 112668371 343755182 /nfs/dbraw/zinc/75/51/82/343755182.db2.gz VIQCHDQNBYGBQR-WDEREUQCSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(=O)N[C@H]1CCCC[C@@H]1C(C)C 112668368 343755282 /nfs/dbraw/zinc/75/52/82/343755282.db2.gz VIQCHDQNBYGBQR-MNOVXSKESA-N 0 0 197.322 2.727 10 0 AFAERN FCC(F)(F)C(F)=C(F)F 112972001 343755807 /nfs/dbraw/zinc/75/58/07/343755807.db2.gz SXKNYNUXUHCUHX-UHFFFAOYSA-N 0 0 164.048 2.669 10 0 AFAERN CCCCC(=O)NCC1CCCCC1 112943674 343755838 /nfs/dbraw/zinc/75/58/38/343755838.db2.gz JUYMCNMKMHCPMB-UHFFFAOYSA-N 0 0 197.322 2.873 10 0 AFAERN CCC[C@@H](CC1CCCCC1)C(N)=O 112943669 343755959 /nfs/dbraw/zinc/75/59/59/343755959.db2.gz HREDUVNIVQPVAM-NSHDSACASA-N 0 0 197.322 2.858 10 0 AFAERN C=Cc1ccc2c(c1)CCC2 112977094 343756100 /nfs/dbraw/zinc/75/61/00/343756100.db2.gz GEAOIOKEVBQCPX-UHFFFAOYSA-N 0 0 144.217 2.818 10 0 AFAERN CCC[C@H](CC1CCCCC1)C(N)=O 112943671 343756209 /nfs/dbraw/zinc/75/62/09/343756209.db2.gz HREDUVNIVQPVAM-LLVKDONJSA-N 0 0 197.322 2.858 10 0 AFAERN CCc1c(F)c(F)c(F)c(F)c1F 113101513 343756461 /nfs/dbraw/zinc/75/64/61/343756461.db2.gz NBOXZRBYWXQDLY-UHFFFAOYSA-N 0 0 196.118 2.945 10 0 AFAERN CCCCCNc1ccccc1O 112990889 343756524 /nfs/dbraw/zinc/75/65/24/343756524.db2.gz OVHIFTNMBBXWHE-UHFFFAOYSA-N 0 0 179.263 2.994 10 0 AFAERN C=Cc1c(C)cccc1OC 113101731 343756622 /nfs/dbraw/zinc/75/66/22/343756622.db2.gz CMKPBJQAYMKEON-UHFFFAOYSA-N 0 0 148.205 2.647 10 0 AFAERN CSCC1CCCCC1 113088643 343756675 /nfs/dbraw/zinc/75/66/75/343756675.db2.gz CVWDMRDQKSRPNJ-UHFFFAOYSA-N 0 0 144.283 2.930 10 0 AFAERN Cc1cc(C)c(O)c(C)c1 113015994 343756704 /nfs/dbraw/zinc/75/67/04/343756704.db2.gz XFNIRJTYQAXRPF-UHFFFAOYSA-N 0 0 135.186 2.756 10 0 AFAERN CCCC(C)(C)F 113079274 343756708 /nfs/dbraw/zinc/75/67/08/343756708.db2.gz JSYWPBHDBBDHKQ-UHFFFAOYSA-N 0 0 104.168 2.535 10 0 AFAERN CC/C=C/Cc1ccc(O)cc1 113140330 343756984 /nfs/dbraw/zinc/75/69/84/343756984.db2.gz FHFXIQKYYAWLLQ-ONEGZZNKSA-N 0 0 162.232 2.901 10 0 AFAERN Cc1nc(C)c(C(C)C)s1 113138207 343757000 /nfs/dbraw/zinc/75/70/00/343757000.db2.gz TZFUICGXWCMJJQ-UHFFFAOYSA-N 0 0 155.266 2.883 10 0 AFAERN CC(C)CCCC(=O)OC(C)C 113184869 343757038 /nfs/dbraw/zinc/75/70/38/343757038.db2.gz ONHSTMLBNSIUHH-UHFFFAOYSA-N 0 0 172.268 2.764 10 0 AFAERN C=C/C=C/Cc1ccccc1 113196896 343757178 /nfs/dbraw/zinc/75/71/78/343757178.db2.gz XIKDQDXWYVAHNF-HWKANZROSA-N 0 0 144.217 2.971 10 0 AFAERN CC[C@H](C)Cc1ccco1 113229922 343757831 /nfs/dbraw/zinc/75/78/31/343757831.db2.gz XJWFXWTWDFFPDB-QMMMGPOBSA-N 0 0 138.210 2.868 10 0 AFAERN C=Cc1ccnc(-c2ccccn2)c1 113294038 343758198 /nfs/dbraw/zinc/75/81/98/343758198.db2.gz DSHZQFMVTXCZCH-UHFFFAOYSA-N 0 0 182.226 2.787 10 0 AFAERN COc1ccc2c(C)ccc(N)c2c1 113388368 343758667 /nfs/dbraw/zinc/75/86/67/343758667.db2.gz SKWYVXAEPXFTEH-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN C=COC(=O)CCCCCC 113446206 343758707 /nfs/dbraw/zinc/75/87/07/343758707.db2.gz YSWBCVAMKPSAPW-UHFFFAOYSA-N 0 0 156.225 2.644 10 0 AFAERN CCc1ccc(N)c2c1CCCC2 113382621 343758858 /nfs/dbraw/zinc/75/88/58/343758858.db2.gz LUMDLDCYTBNVOM-UHFFFAOYSA-N 0 0 175.275 2.710 10 0 AFAERN COc1ccc([C@@H]2C[C@@H]2C)cc1 113436638 343758907 /nfs/dbraw/zinc/75/89/07/343758907.db2.gz FHZAJAGPWCQBKW-GZMMTYOYSA-N 0 0 162.232 2.819 10 0 AFAERN C[C@@H]1CCCC[C@]1(C)P 113522663 343759115 /nfs/dbraw/zinc/75/91/15/343759115.db2.gz WIEMFIHHNIIUIP-SFYZADRCSA-N 0 0 144.198 2.830 10 0 AFAERN C[C@H]1CCCC[C@@]1(C)P 113522660 343759152 /nfs/dbraw/zinc/75/91/52/343759152.db2.gz WIEMFIHHNIIUIP-JGVFFNPUSA-N 0 0 144.198 2.830 10 0 AFAERN Clc1csc(-c2cccnc2)n1 113494712 343759188 /nfs/dbraw/zinc/75/91/88/343759188.db2.gz VHEAEGYKRAYYOA-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN C[C@@H]1CCCC[C@@]1(C)P 113522658 343759201 /nfs/dbraw/zinc/75/92/01/343759201.db2.gz WIEMFIHHNIIUIP-HTQZYQBOSA-N 0 0 144.198 2.830 10 0 AFAERN C[C@H]1CCCC[C@]1(C)P 113522665 343759348 /nfs/dbraw/zinc/75/93/48/343759348.db2.gz WIEMFIHHNIIUIP-YUMQZZPRSA-N 0 0 144.198 2.830 10 0 AFAERN CC(C)(SCCO)c1ccccc1 113482090 343759412 /nfs/dbraw/zinc/75/94/12/343759412.db2.gz PZCLOFKFKKBXHG-UHFFFAOYSA-N 0 0 196.315 2.647 10 0 AFAERN CC(C)[C@H](O)CCNc1ccccc1 113732860 343759610 /nfs/dbraw/zinc/75/96/10/343759610.db2.gz DXNLOQJGNXIETB-GFCCVEGCSA-N 0 0 193.290 2.506 10 0 AFAERN Pc1ccccc1-c1ccccc1 113669711 343759697 /nfs/dbraw/zinc/75/96/97/343759697.db2.gz UTAHFAJHGGPJEQ-UHFFFAOYSA-N 0 0 186.194 2.854 10 0 AFAERN Cc1cc(Cl)nc2ncccc12 113685770 343759721 /nfs/dbraw/zinc/75/97/21/343759721.db2.gz LYWDMDSBTBZWSX-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN CC(C)[C@@H](O)CCNc1ccccc1 113732857 343759736 /nfs/dbraw/zinc/75/97/36/343759736.db2.gz DXNLOQJGNXIETB-LBPRGKRZSA-N 0 0 193.290 2.506 10 0 AFAERN C/C=C\c1cccc(OC)c1 113902411 343760716 /nfs/dbraw/zinc/76/07/16/343760716.db2.gz FVTQCDKWCMFOKX-HYXAFXHYSA-N 0 0 148.205 2.728 10 0 AFAERN CCc1cc(CC)c(CO)c(CC)c1 113990023 343760795 /nfs/dbraw/zinc/76/07/95/343760795.db2.gz YSDJKGKIMCWTEG-UHFFFAOYSA-N 0 0 192.302 2.866 10 0 AFAERN CC1(C)C=CC=CC1 113905921 343761021 /nfs/dbraw/zinc/76/10/21/343761021.db2.gz KGYVJUSBRARRBU-UHFFFAOYSA-N 0 0 108.184 2.529 10 0 AFAERN CC1(C)CCCC[C@@H]1CCCO 114139994 343761272 /nfs/dbraw/zinc/76/12/72/343761272.db2.gz VTXNIJORMSFQCL-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN CC1(C)CCCC[C@H]1CCCO 114139997 343761322 /nfs/dbraw/zinc/76/13/22/343761322.db2.gz VTXNIJORMSFQCL-JTQLQIEISA-N 0 0 170.296 2.975 10 0 AFAERN Nc1sccc1-c1ccccc1 114060892 343761359 /nfs/dbraw/zinc/76/13/59/343761359.db2.gz AFZWJZAKURZWSY-UHFFFAOYSA-N 0 0 175.256 2.997 10 0 AFAERN C1CC(SC2CCC2)C1 114064321 343761500 /nfs/dbraw/zinc/76/15/00/343761500.db2.gz BNZSBPKOMCJCNW-UHFFFAOYSA-N 0 0 142.267 2.825 10 0 AFAERN Oc1ccc(C2=CSCC2)c(O)c1 114223514 343761862 /nfs/dbraw/zinc/76/18/62/343761862.db2.gz VDQMYIDEJHDDNR-UHFFFAOYSA-N 0 0 194.255 2.576 10 0 AFAERN C[C@H](CCCO)c1ccccc1 114250901 343762074 /nfs/dbraw/zinc/76/20/74/343762074.db2.gz IMUUTWZFQCAVRV-SNVBAGLBSA-N 0 0 164.248 2.563 10 0 AFAERN O=[N+]([O-])/C(Cl)=C/c1ccccc1 114275495 343762195 /nfs/dbraw/zinc/76/21/95/343762195.db2.gz BQOIOXRQQPRNCO-SOFGYWHQSA-N 0 0 183.594 2.501 10 0 AFAERN CCc1cccc(C(C)(C)C)n1 114670394 343763400 /nfs/dbraw/zinc/76/34/00/343763400.db2.gz WZPIGGXRCDFHJA-UHFFFAOYSA-N 0 0 163.264 2.942 10 0 AFAERN CC(=O)NC/C=C(\C)CCC=C(C)C 114608360 343763510 /nfs/dbraw/zinc/76/35/10/343763510.db2.gz CJEIWYRAGBZMAB-DHZHZOJOSA-N 0 0 195.306 2.815 10 0 AFAERN CC/C=C\CCC[C@@H](Cl)C=O 114595642 343763548 /nfs/dbraw/zinc/76/35/48/343763548.db2.gz ZZBSALQBWZJRCF-ZBJFTSOASA-N 0 0 174.671 2.929 10 0 AFAERN CC/C=C\CCC[C@H](Cl)C=O 114595644 343763576 /nfs/dbraw/zinc/76/35/76/343763576.db2.gz ZZBSALQBWZJRCF-TYRPZCRBSA-N 0 0 174.671 2.929 10 0 AFAERN CC(C)c1c[nH]c2ncccc12 114651771 343763796 /nfs/dbraw/zinc/76/37/96/343763796.db2.gz ZTMQSAOMBNNLCY-UHFFFAOYSA-N 0 0 160.220 2.686 10 0 AFAERN CC(C)(C)C(C)(C)F 114622556 343763859 /nfs/dbraw/zinc/76/38/59/343763859.db2.gz PITOAQQNSAAMBD-UHFFFAOYSA-N 0 0 118.195 2.781 10 0 AFAERN N#COc1cccc2ccccc12 114655709 343763861 /nfs/dbraw/zinc/76/38/61/343763861.db2.gz QUSFOLYSOPZYIK-UHFFFAOYSA-N 0 0 169.183 2.700 10 0 AFAERN ClC(Cl)=C1C=CC=C1 114715042 343764179 /nfs/dbraw/zinc/76/41/79/343764179.db2.gz BMHUFYBSDMWTOX-UHFFFAOYSA-N 0 0 147.004 2.802 10 0 AFAERN CCc1cccc2cccc(CO)c12 114913173 343764732 /nfs/dbraw/zinc/76/47/32/343764732.db2.gz WIOGGKIVNVTMMD-UHFFFAOYSA-N 0 0 186.254 2.895 10 0 AFAERN c1ccc(C2CC2)c(Cc2ncc[nH]2)c1 114913842 343764866 /nfs/dbraw/zinc/76/48/66/343764866.db2.gz ODAGPWIDDIENDR-UHFFFAOYSA-N 0 0 198.269 2.878 10 0 AFAERN CCCN1CCc2cc(F)c(F)cc21 114819613 343764917 /nfs/dbraw/zinc/76/49/17/343764917.db2.gz IRKFKZYFHXRXCG-UHFFFAOYSA-N 0 0 197.228 2.737 10 0 AFAERN CC1=NCCc2c(Cl)cccc21 115024080 343765539 /nfs/dbraw/zinc/76/55/39/343765539.db2.gz PVTFVKKGJRTYAJ-UHFFFAOYSA-N 0 0 179.650 2.705 10 0 AFAERN CCCc1cc(C(=O)CC)ccc1O 115056225 343765681 /nfs/dbraw/zinc/76/56/81/343765681.db2.gz AUTJPPNKNITORX-UHFFFAOYSA-N 0 0 192.258 2.937 10 0 AFAERN Cc1c[nH]c2c(=O)[nH]c3ccccc3c12 115162620 343765869 /nfs/dbraw/zinc/76/58/69/343765869.db2.gz ZXXHOWJUPTVBLC-UHFFFAOYSA-N 0 0 198.225 2.730 10 0 AFAERN FC(F)C1CCCCC1 115072159 343766040 /nfs/dbraw/zinc/76/60/40/343766040.db2.gz JOCDQQMYNFSIRO-UHFFFAOYSA-N 0 0 134.169 2.832 10 0 AFAERN C[C@@H](CF)c1ccccc1 115073091 343766047 /nfs/dbraw/zinc/76/60/47/343766047.db2.gz RFBUZWVPADPYJE-QMMMGPOBSA-N 0 0 138.185 2.760 10 0 AFAERN C1=C\C=C/CCC\C=C/1 115262674 343766079 /nfs/dbraw/zinc/76/60/79/343766079.db2.gz FHBJNBBNAAXQKT-XCADPSHZSA-N 0 0 120.195 2.839 10 0 AFAERN CCCCP1(=O)CCCC1 115250822 343766087 /nfs/dbraw/zinc/76/60/87/343766087.db2.gz WZAIFYLOAIJCQP-UHFFFAOYSA-N 0 0 160.197 2.943 10 0 AFAERN CC(=O)c1ccc(C(C)C)cc1O 115688988 343767326 /nfs/dbraw/zinc/76/73/26/343767326.db2.gz NUHRFQHHSVUAIS-UHFFFAOYSA-N 0 0 178.231 2.718 10 0 AFAERN CC(C)=CC[C@@H](C)/C(C)=C\CO 115797934 343767610 /nfs/dbraw/zinc/76/76/10/343767610.db2.gz ZPIKDJYPRJOHLN-PAKSIRSJSA-N 0 0 168.280 2.917 10 0 AFAERN CC(C)=CC[C@H](C)/C(C)=C\CO 115797932 343767920 /nfs/dbraw/zinc/76/79/20/343767920.db2.gz ZPIKDJYPRJOHLN-QBQSQJOESA-N 0 0 168.280 2.917 10 0 AFAERN CCC(CC)CCCCO 116186980 343768231 /nfs/dbraw/zinc/76/82/31/343768231.db2.gz GOJBFVJUMYSMJJ-UHFFFAOYSA-N 0 0 144.258 2.585 10 0 AFAERN Nc1ccc(-c2cnco2)cc1Cl 116209482 343768490 /nfs/dbraw/zinc/76/84/90/343768490.db2.gz HGGMCQWMZHEDEP-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Cc1ccccc1Cc1ccncc1 116365457 343769192 /nfs/dbraw/zinc/76/91/92/343769192.db2.gz DFKVCEGPEIMEGG-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN COc1cccc(C2CCC2)c1 116409172 343769737 /nfs/dbraw/zinc/76/97/37/343769737.db2.gz BKYALEQPNMLLSD-UHFFFAOYSA-N 0 0 162.232 2.963 10 0 AFAERN CC1(c2ccc(O)cn2)CCCC1 116400270 343769474 /nfs/dbraw/zinc/76/94/74/343769474.db2.gz REINYDQLSACGNW-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN COc1ccc(C2(C)CCC2)nc1 116400221 343769490 /nfs/dbraw/zinc/76/94/90/343769490.db2.gz LERUKMAKZNVYAK-UHFFFAOYSA-N 0 0 177.247 2.532 10 0 AFAERN CC(C)(O)CC1Cc2ccccc2C1 116401098 343769643 /nfs/dbraw/zinc/76/96/43/343769643.db2.gz ZCKMKRGGJZFAOG-UHFFFAOYSA-N 0 0 190.286 2.562 10 0 AFAERN CC[C@H](O)c1ccc([C@H](O)CC)cc1 116650992 343770200 /nfs/dbraw/zinc/77/02/00/343770200.db2.gz ZLSGKEYZOMEBHR-TXEJJXNPSA-N 0 0 194.274 2.573 10 0 AFAERN CC[C@@H](O)c1ccc([C@H](O)CC)cc1 116650995 343770250 /nfs/dbraw/zinc/77/02/50/343770250.db2.gz ZLSGKEYZOMEBHR-VXGBXAGGSA-N 0 0 194.274 2.573 10 0 AFAERN CCOC(=O)C1=C(O)CCCC1(C)C 116883402 343771639 /nfs/dbraw/zinc/77/16/39/343771639.db2.gz XPBMKESJQWHFQI-UHFFFAOYSA-N 0 0 198.262 2.572 10 0 AFAERN CC1(C)OCc2nc(Cl)ccc21 116830844 343771049 /nfs/dbraw/zinc/77/10/49/343771049.db2.gz XQUFSCYJBCCSFI-UHFFFAOYSA-N 0 0 183.638 2.500 10 0 AFAERN Cc1cc(C2CC2)cc(C)c1O 116917591 343771348 /nfs/dbraw/zinc/77/13/48/343771348.db2.gz VHHSKDOVZHJECP-UHFFFAOYSA-N 0 0 162.232 2.886 10 0 AFAERN CCc1cncc2ccc(OC)cc12 116894145 343771530 /nfs/dbraw/zinc/77/15/30/343771530.db2.gz CUDYASREPDKSDX-UHFFFAOYSA-N 0 0 187.242 2.806 10 0 AFAERN CCc1cncc2ccc(O)cc12 116894616 343771683 /nfs/dbraw/zinc/77/16/83/343771683.db2.gz YAIBSUWXWAOUMN-UHFFFAOYSA-N 0 0 173.215 2.503 10 0 AFAERN CCOC(=O)C1=C(O)C(C)(C)CCC1 116884258 343771782 /nfs/dbraw/zinc/77/17/82/343771782.db2.gz ONJYVCKDLFGVBF-UHFFFAOYSA-N 0 0 198.262 2.572 10 0 AFAERN CCCCO[P@H](=O)c1ccccc1 116944897 343771859 /nfs/dbraw/zinc/77/18/59/343771859.db2.gz FKYVWTXHUKOZMA-UHFFFAOYSA-N 0 0 198.202 2.603 10 0 AFAERN C=Cc1ccc2c(c1)CCCC2=O 117169596 343772023 /nfs/dbraw/zinc/77/20/23/343772023.db2.gz WACCBUSQULKZRC-UHFFFAOYSA-N 0 0 172.227 2.849 10 0 AFAERN OCCC/C=C/c1ccc(F)cc1 117246420 343772042 /nfs/dbraw/zinc/77/20/42/343772042.db2.gz ZQALKDOLKDKNQQ-DUXPYHPUSA-N 0 0 180.222 2.611 10 0 AFAERN OCCC/C=C\c1ccc(F)cc1 117246418 343772262 /nfs/dbraw/zinc/77/22/62/343772262.db2.gz ZQALKDOLKDKNQQ-RQOWECAXSA-N 0 0 180.222 2.611 10 0 AFAERN CC1(C)CCNc2nc(Cl)ccc21 117198363 343772321 /nfs/dbraw/zinc/77/23/21/343772321.db2.gz ROACFMNVBRFNGP-UHFFFAOYSA-N 0 0 196.681 2.828 10 0 AFAERN COC(=O)CCCCC(C)(C)C 117496984 343772771 /nfs/dbraw/zinc/77/27/71/343772771.db2.gz ICSRBZABGYFOPK-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN CC(=O)c1ccc(C(C)(C)C)c(O)c1 117317185 343772896 /nfs/dbraw/zinc/77/28/96/343772896.db2.gz WPTISIUUNGAVOF-UHFFFAOYSA-N 0 0 192.258 2.892 10 0 AFAERN C=Cc1ccc(C(=O)OCC)c(C)c1 117656375 343773290 /nfs/dbraw/zinc/77/32/90/343773290.db2.gz CAAOFOPLNYBDTH-UHFFFAOYSA-N 0 0 190.242 2.815 10 0 AFAERN Nc1cccc2c(F)cccc12 117722466 343773331 /nfs/dbraw/zinc/77/33/31/343773331.db2.gz HCVJVHWHFGGSPS-UHFFFAOYSA-N 0 0 161.179 2.561 10 0 AFAERN Cc1cc(N)cc(-c2cncs2)c1 117789388 343773335 /nfs/dbraw/zinc/77/33/35/343773335.db2.gz VLUHONKZQKGGOJ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C/C(=C/[N+](=O)[O-])c1ccc(Cl)cc1 117710197 343773546 /nfs/dbraw/zinc/77/35/46/343773546.db2.gz TZMYDRHHJHGISG-SREVYHEPSA-N 0 0 197.621 2.978 10 0 AFAERN Cc1ccc(/C=C/[N+](=O)[O-])cc1Cl 117683465 343773555 /nfs/dbraw/zinc/77/35/55/343773555.db2.gz BYCAGJRQNQXKCQ-SNAWJCMRSA-N 0 0 197.621 2.896 10 0 AFAERN CC(=O)SCCCC(F)(F)F 117803370 343773689 /nfs/dbraw/zinc/77/36/89/343773689.db2.gz KNTTVLLTAXDWJE-UHFFFAOYSA-N 0 0 186.198 2.609 10 0 AFAERN Cc1ccc(-c2cccnc2C=O)cc1 117983355 343774021 /nfs/dbraw/zinc/77/40/21/343774021.db2.gz DVNGDJGVBAAEIV-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CN(C)c1ccc(C(F)(F)F)cc1 117904783 343774030 /nfs/dbraw/zinc/77/40/30/343774030.db2.gz MLFFPCMQWLVVLM-UHFFFAOYSA-N 0 0 189.180 2.771 10 0 AFAERN COCOc1ccc(C2CC2)cc1 118116167 343774462 /nfs/dbraw/zinc/77/44/62/343774462.db2.gz DIWKDNYVEXJOQV-UHFFFAOYSA-N 0 0 178.231 2.547 10 0 AFAERN Cc1nc(Cl)cc2c(N)cccc12 118221547 343774896 /nfs/dbraw/zinc/77/48/96/343774896.db2.gz WDPFKUHZQWZKFE-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CNC(=O)c1ccc2ccccc2c1C 118505294 343775245 /nfs/dbraw/zinc/77/52/45/343775245.db2.gz PIUVOPGQDYBMTE-UHFFFAOYSA-N 0 0 199.253 2.508 10 0 AFAERN c1cnc2ccc3c(c2c1)CCCN3 118450705 343775487 /nfs/dbraw/zinc/77/54/87/343775487.db2.gz RZYUMGIQPURNCM-UHFFFAOYSA-N 0 0 184.242 2.593 10 0 AFAERN C1=C2C[C@@H]2CCCCC1 118482012 343775586 /nfs/dbraw/zinc/77/55/86/343775586.db2.gz VBOOPDOMANCLLY-VIFPVBQESA-N 0 0 122.211 2.897 10 0 AFAERN CCCSC/C=C/SC(C)=O 118473422 343775650 /nfs/dbraw/zinc/77/56/50/343775650.db2.gz LQXVEHZQAZGLPD-QPJJXVBHSA-N 0 0 190.333 2.923 10 0 AFAERN C1=C2C[C@H]2CCCCC1 118482016 343775690 /nfs/dbraw/zinc/77/56/90/343775690.db2.gz VBOOPDOMANCLLY-SECBINFHSA-N 0 0 122.211 2.897 10 0 AFAERN CCCSC/C=C\SC(C)=O 118473420 343775691 /nfs/dbraw/zinc/77/56/91/343775691.db2.gz LQXVEHZQAZGLPD-DAXSKMNVSA-N 0 0 190.333 2.923 10 0 AFAERN FCCOc1ccc(F)cc1Cl 118441329 343775693 /nfs/dbraw/zinc/77/56/93/343775693.db2.gz ASXIOQJSJYGTSZ-UHFFFAOYSA-N 0 0 192.592 2.827 10 0 AFAERN C=C[C@H](c1ccccc1)[C@H](C)C=O 118631643 343776001 /nfs/dbraw/zinc/77/60/01/343776001.db2.gz VDRZNQRLVIXKFZ-PWSUYJOCSA-N 0 0 174.243 2.791 10 0 AFAERN C(=C/c1ncco1)\c1ccccc1 118524880 343776065 /nfs/dbraw/zinc/77/60/65/343776065.db2.gz YCPDXJAYLHNNEA-VOTSOKGWSA-N 0 0 171.199 2.845 10 0 AFAERN C=C[C@@H](c1ccccc1)[C@@H](C)C=O 118631638 343776200 /nfs/dbraw/zinc/77/62/00/343776200.db2.gz VDRZNQRLVIXKFZ-CMPLNLGQSA-N 0 0 174.243 2.791 10 0 AFAERN C=C[C@@H](c1ccccc1)[C@H](C)C=O 118631640 343776247 /nfs/dbraw/zinc/77/62/47/343776247.db2.gz VDRZNQRLVIXKFZ-ZYHUDNBSSA-N 0 0 174.243 2.791 10 0 AFAERN C=C[C@H](c1ccccc1)[C@@H](C)C=O 118631642 343776264 /nfs/dbraw/zinc/77/62/64/343776264.db2.gz VDRZNQRLVIXKFZ-JQWIXIFHSA-N 0 0 174.243 2.791 10 0 AFAERN O[C@@H](C/C=C/F)c1ccccc1 118751871 343776563 /nfs/dbraw/zinc/77/65/63/343776563.db2.gz JXYWJCDVAZIZOE-GOJXHPMJSA-N 0 0 166.195 2.593 10 0 AFAERN Cc1ccc(-c2cnc(C)s2)cn1 118823180 343776586 /nfs/dbraw/zinc/77/65/86/343776586.db2.gz FTTXPBAQHOOZSM-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN O[C@@H](C/C=C\F)c1ccccc1 118751869 343776678 /nfs/dbraw/zinc/77/66/78/343776678.db2.gz JXYWJCDVAZIZOE-PENHIPQLSA-N 0 0 166.195 2.593 10 0 AFAERN O[C@H](C/C=C/F)c1ccccc1 118751876 343776723 /nfs/dbraw/zinc/77/67/23/343776723.db2.gz JXYWJCDVAZIZOE-VMKBVTSJSA-N 0 0 166.195 2.593 10 0 AFAERN O[C@H](C/C=C\F)c1ccccc1 118751873 343776910 /nfs/dbraw/zinc/77/69/10/343776910.db2.gz JXYWJCDVAZIZOE-NAXAJZLFSA-N 0 0 166.195 2.593 10 0 AFAERN CCc1cc(NC(C)(C)CC)ncn1 123460954 343783613 /nfs/dbraw/zinc/78/36/13/343783613.db2.gz GDINQJSHSRQHTF-UHFFFAOYSA-N 0 0 193.294 2.640 10 0 AFAERN Cc1ncn(CCC(C)(C)C)c1C 123473663 343783649 /nfs/dbraw/zinc/78/36/49/343783649.db2.gz FQFFMBUOVHSCGS-UHFFFAOYSA-N 0 0 180.295 2.936 10 0 AFAERN CSCCCCNc1ccccn1 124706117 343787714 /nfs/dbraw/zinc/78/77/14/343787714.db2.gz LSACXRIYQCOYSH-UHFFFAOYSA-N 0 0 196.319 2.637 10 0 AFAERN c1ccc(NCCCC2CC2)nc1 124717746 343787847 /nfs/dbraw/zinc/78/78/47/343787847.db2.gz VWJSFVGCBRFPNS-UHFFFAOYSA-N 0 0 176.263 2.684 10 0 AFAERN Cc1cscc1NCc1cc[nH]c1 125447619 343791034 /nfs/dbraw/zinc/79/10/34/343791034.db2.gz NMTBGTNRLHTFCD-UHFFFAOYSA-N 0 0 192.287 2.997 10 0 AFAERN Cc1ccc2c(N)csc2c1 126057223 343792711 /nfs/dbraw/zinc/79/27/11/343792711.db2.gz DVSPOAFRBCSGIE-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN Cc1cccc2scc(N)c12 126057717 343793150 /nfs/dbraw/zinc/79/31/50/343793150.db2.gz CRDNJDZMOKCLGC-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN CC[C@@H]1CC(=O)c2cc(F)ccc2O1 126573045 343794479 /nfs/dbraw/zinc/79/44/79/343794479.db2.gz IPNDWXBNGJUPAL-MRVPVSSYSA-N 0 0 194.205 2.570 10 0 AFAERN CC[C@H]1CC(=O)c2cc(C)ccc2O1 126616611 343794723 /nfs/dbraw/zinc/79/47/23/343794723.db2.gz QUUXVRZQTMXEOD-VIFPVBQESA-N 0 0 190.242 2.739 10 0 AFAERN Cc1cccc(C)c1[C@@H](N)C(F)F 126613758 343794812 /nfs/dbraw/zinc/79/48/12/343794812.db2.gz KQNQWVPPAQSGTR-SECBINFHSA-N 0 0 185.217 2.568 10 0 AFAERN Cc1cccc(C)c1[C@H](N)C(F)F 126613471 343794905 /nfs/dbraw/zinc/79/49/05/343794905.db2.gz KQNQWVPPAQSGTR-VIFPVBQESA-N 0 0 185.217 2.568 10 0 AFAERN CC[C@@H]1CC(=O)c2cc(C)ccc2O1 126616360 343795134 /nfs/dbraw/zinc/79/51/34/343795134.db2.gz QUUXVRZQTMXEOD-SECBINFHSA-N 0 0 190.242 2.739 10 0 AFAERN CC[C@@H]1Oc2cc(Cl)ccc2C1=O 126686974 343796126 /nfs/dbraw/zinc/79/61/26/343796126.db2.gz DMNNJYGXINPIJY-QMMMGPOBSA-N 0 0 196.633 2.694 10 0 AFAERN Cc1ccc([C@@H](O)C2CC2)c(F)c1 126767623 343796572 /nfs/dbraw/zinc/79/65/72/343796572.db2.gz PEMPQTNKQZYDJN-NSHDSACASA-N 0 0 180.222 2.578 10 0 AFAERN Cc1ccc([C@H](O)C2CC2)c(F)c1 126767367 343796831 /nfs/dbraw/zinc/79/68/31/343796831.db2.gz PEMPQTNKQZYDJN-LLVKDONJSA-N 0 0 180.222 2.578 10 0 AFAERN CC(C)C[C@]1(O)CCCc2occc21 126832118 343798124 /nfs/dbraw/zinc/79/81/24/343798124.db2.gz WWRATFOPSBSODD-GFCCVEGCSA-N 0 0 194.274 2.850 10 0 AFAERN CC[C@@H](NN)c1c(C)cc(C)cc1C 126881224 343799217 /nfs/dbraw/zinc/79/92/17/343799217.db2.gz UQBWOCXRCLLUBL-LLVKDONJSA-N 0 0 192.306 2.526 10 0 AFAERN CC[C@H](NN)c1c(C)cc(C)cc1C 126881003 343799263 /nfs/dbraw/zinc/79/92/63/343799263.db2.gz UQBWOCXRCLLUBL-NSHDSACASA-N 0 0 192.306 2.526 10 0 AFAERN CC(C)OC(=O)N1[C@H](C)CCC[C@H]1C 126902059 343799725 /nfs/dbraw/zinc/79/97/25/343799725.db2.gz ZVHCAYYVMFILKM-NXEZZACHSA-N 0 0 199.294 2.794 10 0 AFAERN CC1CCC(NC(=O)OC(C)C)CC1 126899739 343799872 /nfs/dbraw/zinc/79/98/72/343799872.db2.gz USSJIVYHUBMFMI-UHFFFAOYSA-N 0 0 199.294 2.700 10 0 AFAERN CC(C)OC(=O)NC1CCCCCC1 126941199 343800839 /nfs/dbraw/zinc/80/08/39/343800839.db2.gz UAJXTWZGPJKUDA-UHFFFAOYSA-N 0 0 199.294 2.844 10 0 AFAERN CC(C)(C)c1nc([C@@H]2CO2)cs1 126943356 343800962 /nfs/dbraw/zinc/80/09/62/343800962.db2.gz JFXXYOYSLQYPTP-ZETCQYMHSA-N 0 0 183.276 2.512 10 0 AFAERN CC(C)(C)c1nc([C@H]2CO2)cs1 126943547 343800972 /nfs/dbraw/zinc/80/09/72/343800972.db2.gz JFXXYOYSLQYPTP-SSDOTTSWSA-N 0 0 183.276 2.512 10 0 AFAERN Oc1cccc(SC(F)F)c1 126972128 343801317 /nfs/dbraw/zinc/80/13/17/343801317.db2.gz CBZGLJYPBIHJRV-UHFFFAOYSA-N 0 0 176.187 2.707 10 0 AFAERN CC(C)OC(=O)N[C@@H]1CCC[C@H](C)C1 126982472 343801850 /nfs/dbraw/zinc/80/18/50/343801850.db2.gz ABHNHLRCIBOUIM-VHSXEESVSA-N 0 0 199.294 2.700 10 0 AFAERN COc1cccc(F)c1[C@H](C)C(C)=O 126977397 343801905 /nfs/dbraw/zinc/80/19/05/343801905.db2.gz APTMGLMQXWTYSS-SSDOTTSWSA-N 0 0 196.221 2.527 10 0 AFAERN CC(C)OC(=O)N[C@H]1CCC[C@@H](C)C1 126981801 343802121 /nfs/dbraw/zinc/80/21/21/343802121.db2.gz ABHNHLRCIBOUIM-ZJUUUORDSA-N 0 0 199.294 2.700 10 0 AFAERN CC(C)OC(=O)N[C@H]1CCC[C@H](C)C1 126982022 343802275 /nfs/dbraw/zinc/80/22/75/343802275.db2.gz ABHNHLRCIBOUIM-UWVGGRQHSA-N 0 0 199.294 2.700 10 0 AFAERN CC(C)OC(=O)N[C@@H]1CCC[C@@H](C)C1 126982239 343802280 /nfs/dbraw/zinc/80/22/80/343802280.db2.gz ABHNHLRCIBOUIM-NXEZZACHSA-N 0 0 199.294 2.700 10 0 AFAERN COc1cccc(F)c1[C@@H](C)C(C)=O 126977663 343802355 /nfs/dbraw/zinc/80/23/55/343802355.db2.gz APTMGLMQXWTYSS-ZETCQYMHSA-N 0 0 196.221 2.527 10 0 AFAERN Oc1cccc(SC2CC2)c1 127012595 343802657 /nfs/dbraw/zinc/80/26/57/343802657.db2.gz WSCHKAFCICHQRT-UHFFFAOYSA-N 0 0 166.245 2.647 10 0 AFAERN Cc1cc(N(C)C2CCC2)ccc1N 127117981 343804410 /nfs/dbraw/zinc/80/44/10/343804410.db2.gz KBKUWXHETUTTRC-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN CC[C@@H](C)Nc1ccc(N)c(F)c1 127087659 343804434 /nfs/dbraw/zinc/80/44/34/343804434.db2.gz LMPZYYKWTJNXNB-SSDOTTSWSA-N 0 0 182.242 2.618 10 0 AFAERN CC[C@H](C)Nc1ccc(N)c(F)c1 127087899 343804442 /nfs/dbraw/zinc/80/44/42/343804442.db2.gz LMPZYYKWTJNXNB-ZETCQYMHSA-N 0 0 182.242 2.618 10 0 AFAERN C[C@@H]1C[C@@]1(O)C1CCC(F)(F)CC1 127135024 343804883 /nfs/dbraw/zinc/80/48/83/343804883.db2.gz ZWJMDIUORWGMLX-XCBNKYQSSA-N 0 0 190.233 2.583 10 0 AFAERN C[C@H]1C[C@@]1(O)C1CCC(F)(F)CC1 127135250 343804987 /nfs/dbraw/zinc/80/49/87/343804987.db2.gz ZWJMDIUORWGMLX-XVKPBYJWSA-N 0 0 190.233 2.583 10 0 AFAERN C[C@@H]1C[C@]1(O)C1CCC(F)(F)CC1 127134550 343805050 /nfs/dbraw/zinc/80/50/50/343805050.db2.gz ZWJMDIUORWGMLX-GMSGAONNSA-N 0 0 190.233 2.583 10 0 AFAERN C[C@H]1C[C@]1(O)C1CCC(F)(F)CC1 127134796 343805169 /nfs/dbraw/zinc/80/51/69/343805169.db2.gz ZWJMDIUORWGMLX-OIBJUYFYSA-N 0 0 190.233 2.583 10 0 AFAERN Cc1ccc(NCc2ccoc2)nc1 127170533 343806340 /nfs/dbraw/zinc/80/63/40/343806340.db2.gz FGKRZSJXICWQKV-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN CCC(CC)CNc1nc(C)ns1 127180663 343806350 /nfs/dbraw/zinc/80/63/50/343806350.db2.gz LTBMMCGNKJXUTP-UHFFFAOYSA-N 0 0 199.323 2.695 10 0 AFAERN CC(C)OC(=O)N1CC[C@H](C)C[C@H]1C 127270168 343808400 /nfs/dbraw/zinc/80/84/00/343808400.db2.gz CAGVRJAXYMXJQD-VHSXEESVSA-N 0 0 199.294 2.652 10 0 AFAERN CC(C)OC(=O)N1CC[C@@H](C)C[C@@H]1C 127270410 343808430 /nfs/dbraw/zinc/80/84/30/343808430.db2.gz CAGVRJAXYMXJQD-ZJUUUORDSA-N 0 0 199.294 2.652 10 0 AFAERN CSc1cc(Cl)nnc1Cl 127278756 343809278 /nfs/dbraw/zinc/80/92/78/343809278.db2.gz JUKORBPASMSSOT-UHFFFAOYSA-N 0 0 195.074 2.505 10 0 AFAERN CCC(C)(C)c1nc2c([nH]1)CCCC2 127440900 343811637 /nfs/dbraw/zinc/81/16/37/343811637.db2.gz IIWMNJHIPUIKHW-UHFFFAOYSA-N 0 0 192.306 2.976 10 0 AFAERN CC[C@H](C)c1nc2c([nH]1)CCCC2 127456026 343811759 /nfs/dbraw/zinc/81/17/59/343811759.db2.gz OQMRXVZYFFNNDI-QMMMGPOBSA-N 0 0 178.279 2.802 10 0 AFAERN CC[C@@H](C)c1nc2c([nH]1)CCCC2 127455773 343811908 /nfs/dbraw/zinc/81/19/08/343811908.db2.gz OQMRXVZYFFNNDI-MRVPVSSYSA-N 0 0 178.279 2.802 10 0 AFAERN CCNc1cc(C2CCCC2)ncn1 127503357 343812201 /nfs/dbraw/zinc/81/22/01/343812201.db2.gz FOYOSUJENMIMPW-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN CC(C)c1nc2c([nH]1)C[C@@H](C)[C@@H](C)C2 127500966 343812498 /nfs/dbraw/zinc/81/24/98/343812498.db2.gz LUTSFTWVCVYUIJ-DTORHVGOSA-N 0 0 192.306 2.904 10 0 AFAERN CCCc1nc2c([nH]1)[C@H](C)CCC2 127465835 343812510 /nfs/dbraw/zinc/81/25/10/343812510.db2.gz SRRWBNNZNZIYMA-MRVPVSSYSA-N 0 0 178.279 2.802 10 0 AFAERN C[C@@H]1CCCc2[nH]c(C(F)F)nc21 127473252 343812545 /nfs/dbraw/zinc/81/25/45/343812545.db2.gz CQRZGXXTTZAYPC-RXMQYKEDSA-N 0 0 186.205 2.787 10 0 AFAERN CCCc1nc2c([nH]1)[C@@H](C)CCC2 127466061 343812575 /nfs/dbraw/zinc/81/25/75/343812575.db2.gz SRRWBNNZNZIYMA-QMMMGPOBSA-N 0 0 178.279 2.802 10 0 AFAERN CC(C)c1nc2c([nH]1)[C@H](C)CCC2 127472766 343812620 /nfs/dbraw/zinc/81/26/20/343812620.db2.gz YJHNMMYBCXFSAO-MRVPVSSYSA-N 0 0 178.279 2.973 10 0 AFAERN C[C@H]1CCCc2[nH]c(C(F)F)nc21 127473457 343812647 /nfs/dbraw/zinc/81/26/47/343812647.db2.gz CQRZGXXTTZAYPC-YFKPBYRVSA-N 0 0 186.205 2.787 10 0 AFAERN CC(C)c1nc2c([nH]1)C[C@H](C)[C@@H](C)C2 127501191 343812654 /nfs/dbraw/zinc/81/26/54/343812654.db2.gz LUTSFTWVCVYUIJ-IUCAKERBSA-N 0 0 192.306 2.904 10 0 AFAERN CC(C)c1nc2c([nH]1)[C@@H](C)CCC2 127473015 343812680 /nfs/dbraw/zinc/81/26/80/343812680.db2.gz YJHNMMYBCXFSAO-QMMMGPOBSA-N 0 0 178.279 2.973 10 0 AFAERN CC(C)c1nc2c([nH]1)C[C@@H](C)[C@H](C)C2 127501409 343812708 /nfs/dbraw/zinc/81/27/08/343812708.db2.gz LUTSFTWVCVYUIJ-RKDXNWHRSA-N 0 0 192.306 2.904 10 0 AFAERN C[C@H]1CCc2[nH]c(C(C)(C)C)nc2C1 127527406 343813203 /nfs/dbraw/zinc/81/32/03/343813203.db2.gz LLKHSOYGTDQHGU-QMMMGPOBSA-N 0 0 192.306 2.832 10 0 AFAERN CC(C)c1nc2c([nH]1)CC[C@@H](C)C2 127527679 343813397 /nfs/dbraw/zinc/81/33/97/343813397.db2.gz WVVWFKMMDATAEB-MRVPVSSYSA-N 0 0 178.279 2.658 10 0 AFAERN CC(C)c1nc2c([nH]1)CC[C@H](C)C2 127527948 343813438 /nfs/dbraw/zinc/81/34/38/343813438.db2.gz WVVWFKMMDATAEB-QMMMGPOBSA-N 0 0 178.279 2.658 10 0 AFAERN CCn1[nH]c(C2CCCC2)cc1=S 127531999 343813489 /nfs/dbraw/zinc/81/34/89/343813489.db2.gz YOTDZOWDKZOCIA-UHFFFAOYSA-N 0 0 196.319 2.849 10 0 AFAERN Clc1cc(C2CCCC2)[nH]n1 127546260 343813518 /nfs/dbraw/zinc/81/35/18/343813518.db2.gz YICYGYPWXDIFBT-UHFFFAOYSA-N 0 0 170.643 2.721 10 0 AFAERN CC(C)OC(=O)N[C@H]1CCCC1(C)C 127566525 343813935 /nfs/dbraw/zinc/81/39/35/343813935.db2.gz FJDDPPFJYQWLNK-VIFPVBQESA-N 0 0 199.294 2.700 10 0 AFAERN CSC[C@@H](C)Nc1ncccc1C 127747329 343818113 /nfs/dbraw/zinc/81/81/13/343818113.db2.gz RZRPOPHNSPVLDO-SECBINFHSA-N 0 0 196.319 2.553 10 0 AFAERN Cc1sc2ncc(Cl)n2c1C 127742207 343818207 /nfs/dbraw/zinc/81/82/07/343818207.db2.gz WPHQOSNXYHPCJL-UHFFFAOYSA-N 0 0 186.667 2.666 10 0 AFAERN CCCc1cn2c(C)c(C)sc2n1 127750076 343818613 /nfs/dbraw/zinc/81/86/13/343818613.db2.gz NUMCENHDEZIZIN-UHFFFAOYSA-N 0 0 194.303 2.965 10 0 AFAERN CSC[C@H](C)Nc1ncccc1C 127747110 343818618 /nfs/dbraw/zinc/81/86/18/343818618.db2.gz RZRPOPHNSPVLDO-VIFPVBQESA-N 0 0 196.319 2.553 10 0 AFAERN Clc1cnc2sc3c(n12)CCC3 127768287 343818951 /nfs/dbraw/zinc/81/89/51/343818951.db2.gz RMLXVNUCKRYYMH-UHFFFAOYSA-N 0 0 198.678 2.538 10 0 AFAERN Cc1cnc2sc3c(n12)CCCC3 127807466 343819601 /nfs/dbraw/zinc/81/96/01/343819601.db2.gz NPKBHVHJXONRSV-UHFFFAOYSA-N 0 0 192.287 2.583 10 0 AFAERN CC(C)CC(=O)C[C@H]1CCCCO1 128008067 343822802 /nfs/dbraw/zinc/82/28/02/343822802.db2.gz KQSHZTDIXARKEL-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCC(=O)C[C@H]1CCCCO1 127994184 343823008 /nfs/dbraw/zinc/82/30/08/343823008.db2.gz POXGGRKKFLYUPZ-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)CC(=O)C[C@@H]1CCCCO1 128007844 343823054 /nfs/dbraw/zinc/82/30/54/343823054.db2.gz KQSHZTDIXARKEL-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCCCC(=O)C[C@@H]1CCCCO1 127993968 343823095 /nfs/dbraw/zinc/82/30/95/343823095.db2.gz POXGGRKKFLYUPZ-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)(C)C(=O)C[C@H]1CCCCO1 128024730 343823649 /nfs/dbraw/zinc/82/36/49/343823649.db2.gz CMYLISOFKCQHTN-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H]1CCNc2c(F)cccc2N1 128080939 343824156 /nfs/dbraw/zinc/82/41/56/343824156.db2.gz MSCWZKZWMDKJCE-MRVPVSSYSA-N 0 0 194.253 2.832 10 0 AFAERN Fc1cccc(Cc2nccs2)c1 128496949 343832889 /nfs/dbraw/zinc/83/28/89/343832889.db2.gz UJPLZFIECYCMIY-UHFFFAOYSA-N 0 0 193.246 2.873 10 0 AFAERN Cc1cnccc1-c1nccs1 128500021 343832954 /nfs/dbraw/zinc/83/29/54/343832954.db2.gz HRGHTXKTJUMORF-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN CC[C@H](O)c1coc2ccccc12 128668364 343835323 /nfs/dbraw/zinc/83/53/23/343835323.db2.gz UTYWAJRAAODMCF-JTQLQIEISA-N 0 0 176.215 2.876 10 0 AFAERN C[C@@H](CO)CC1CCCCCC1 128692599 343836054 /nfs/dbraw/zinc/83/60/54/343836054.db2.gz AFCIVTZVALRAPP-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN Cc1cc(F)ccc1CC(C)(C)CO 128663337 343835614 /nfs/dbraw/zinc/83/56/14/343835614.db2.gz ADNSLYIAOLZYBH-UHFFFAOYSA-N 0 0 196.265 2.695 10 0 AFAERN CC[C@@H](O)c1coc2ccccc12 128668595 343835641 /nfs/dbraw/zinc/83/56/41/343835641.db2.gz UTYWAJRAAODMCF-SNVBAGLBSA-N 0 0 176.215 2.876 10 0 AFAERN CCOC(=N)c1coc2ccccc12 128706828 343836102 /nfs/dbraw/zinc/83/61/02/343836102.db2.gz MESHGNUALXXAET-UHFFFAOYSA-N 0 0 189.214 2.795 10 0 AFAERN C[C@H](CO)CC1CCCCCC1 128692387 343836125 /nfs/dbraw/zinc/83/61/25/343836125.db2.gz AFCIVTZVALRAPP-JTQLQIEISA-N 0 0 170.296 2.975 10 0 AFAERN COC(=N)c1c(C)oc2ccccc12 128758653 343836754 /nfs/dbraw/zinc/83/67/54/343836754.db2.gz FIWPTCAVZMEZJK-UHFFFAOYSA-N 0 0 189.214 2.713 10 0 AFAERN COC1(C(=O)C(C)(C)C)CCCC1 128751201 343836900 /nfs/dbraw/zinc/83/69/00/343836900.db2.gz UVPJJGKCQJXGBT-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN O=[N+]([O-])/C=C/c1coc2ccccc12 128759376 343836909 /nfs/dbraw/zinc/83/69/09/343836909.db2.gz VCGYDDGLMJITSR-AATRIKPKSA-N 0 0 189.170 2.680 10 0 AFAERN O[C@H](c1coc2ccccc12)C(F)F 128745523 343836917 /nfs/dbraw/zinc/83/69/17/343836917.db2.gz IVNNRRJQLAUJTQ-SECBINFHSA-N 0 0 198.168 2.731 10 0 AFAERN O[C@@H](c1coc2ccccc12)C(F)F 128745278 343836934 /nfs/dbraw/zinc/83/69/34/343836934.db2.gz IVNNRRJQLAUJTQ-VIFPVBQESA-N 0 0 198.168 2.731 10 0 AFAERN CCCC(=O)[C@H]1COc2ccccc21 128803864 343837977 /nfs/dbraw/zinc/83/79/77/343837977.db2.gz XWXXGNDNYZDNPN-JTQLQIEISA-N 0 0 190.242 2.532 10 0 AFAERN Cc1oc2ccccc2c1/C=C/CO 128827200 343837981 /nfs/dbraw/zinc/83/79/81/343837981.db2.gz JKQOIPQQRAVFMO-GQCTYLIASA-N 0 0 188.226 2.747 10 0 AFAERN CC(C)OC(=O)N[C@@H]1CCC(C)(C)C1 128831050 343838576 /nfs/dbraw/zinc/83/85/76/343838576.db2.gz DENQOIQKLWGJFR-SECBINFHSA-N 0 0 199.294 2.700 10 0 AFAERN CC(C)OC(=O)N[C@H]1CCC(C)(C)C1 128831259 343838931 /nfs/dbraw/zinc/83/89/31/343838931.db2.gz DENQOIQKLWGJFR-VIFPVBQESA-N 0 0 199.294 2.700 10 0 AFAERN CSCCNc1cccc(F)c1C 128919229 343840157 /nfs/dbraw/zinc/84/01/57/343840157.db2.gz IWFLJLREWXHCDY-UHFFFAOYSA-N 0 0 199.294 2.909 10 0 AFAERN COC1(c2nccs2)CCCC1 128962168 343841356 /nfs/dbraw/zinc/84/13/56/343841356.db2.gz CXBIYSRTVMRJQO-UHFFFAOYSA-N 0 0 183.276 2.559 10 0 AFAERN COC1(c2nc(C)cs2)CCCC1 128961941 343841506 /nfs/dbraw/zinc/84/15/06/343841506.db2.gz MHLYHKCTCQPYQD-UHFFFAOYSA-N 0 0 197.303 2.867 10 0 AFAERN COC1(c2ncc(C)s2)CCCC1 128962628 343841551 /nfs/dbraw/zinc/84/15/51/343841551.db2.gz PHTNIIROYFCKIN-UHFFFAOYSA-N 0 0 197.303 2.867 10 0 AFAERN CSCCNc1cc(C)cc(F)c1 129021680 343842668 /nfs/dbraw/zinc/84/26/68/343842668.db2.gz OHONPVOYVCBNLC-UHFFFAOYSA-N 0 0 199.294 2.909 10 0 AFAERN Cc1cscc1NC[C@H]1CCOC1 129121608 343844423 /nfs/dbraw/zinc/84/44/23/343844423.db2.gz WMXUGJNJVKMDQQ-SECBINFHSA-N 0 0 197.303 2.505 10 0 AFAERN Cc1cscc1NC[C@@H]1CCOC1 129121383 343844426 /nfs/dbraw/zinc/84/44/26/343844426.db2.gz WMXUGJNJVKMDQQ-VIFPVBQESA-N 0 0 197.303 2.505 10 0 AFAERN Cc1cccc(C2(O)CC2)c1Cl 129160058 343845204 /nfs/dbraw/zinc/84/52/04/343845204.db2.gz PZSPDUDWRCQVGO-UHFFFAOYSA-N 0 0 182.650 2.630 10 0 AFAERN Cc1cc([C@H]([NH3+])c2ccsc2)co1 129228202 343846241 /nfs/dbraw/zinc/84/62/41/343846241.db2.gz HNQHETGXDCGFQJ-SNVBAGLBSA-N 0 0 193.271 2.698 10 0 AFAERN Cc1cc([C@@H]([NH3+])c2ccsc2)co1 129228406 343846296 /nfs/dbraw/zinc/84/62/96/343846296.db2.gz HNQHETGXDCGFQJ-JTQLQIEISA-N 0 0 193.271 2.698 10 0 AFAERN Cc1cc(F)ccc1OC(C)C 129319247 343848120 /nfs/dbraw/zinc/84/81/20/343848120.db2.gz HOERSNRFHPEDFF-UHFFFAOYSA-N 0 0 168.211 2.921 10 0 AFAERN Cc1cc(F)cc2cc([C@H](C)O)oc12 129332197 343848125 /nfs/dbraw/zinc/84/81/25/343848125.db2.gz AGXHYHYYEFCERP-ZETCQYMHSA-N 0 0 194.205 2.934 10 0 AFAERN Cc1cc(F)cc2cc([C@@H](C)O)oc12 129331982 343848216 /nfs/dbraw/zinc/84/82/16/343848216.db2.gz AGXHYHYYEFCERP-SSDOTTSWSA-N 0 0 194.205 2.934 10 0 AFAERN Cc1ccc2c(c1)[C@@](O)(C(C)C)CC2 129404451 343849082 /nfs/dbraw/zinc/84/90/82/343849082.db2.gz DJDRVAYMCNVCCT-ZDUSSCGKSA-N 0 0 190.286 2.785 10 0 AFAERN Cc1ccc2c(c1)[C@](O)(C1CC1)CC2 129396549 343849104 /nfs/dbraw/zinc/84/91/04/343849104.db2.gz AYLITPMLTNSHEC-CYBMUJFWSA-N 0 0 188.270 2.539 10 0 AFAERN CCC[C@@]1(O)CCc2ccc(C)cc21 129398201 343849124 /nfs/dbraw/zinc/84/91/24/343849124.db2.gz VCEXLCHRROCKRN-CYBMUJFWSA-N 0 0 190.286 2.929 10 0 AFAERN Cc1ccc2c3c1C(=O)C[C@H]3CC2 129417900 343849190 /nfs/dbraw/zinc/84/91/90/343849190.db2.gz VFZXGEWSROFBEH-SECBINFHSA-N 0 0 172.227 2.611 10 0 AFAERN CCC[C@]1(O)CCc2ccc(C)cc21 129397971 343849313 /nfs/dbraw/zinc/84/93/13/343849313.db2.gz VCEXLCHRROCKRN-ZDUSSCGKSA-N 0 0 190.286 2.929 10 0 AFAERN Cc1ccc2c3c1C(=O)C[C@@H]3CC2 129417710 343849347 /nfs/dbraw/zinc/84/93/47/343849347.db2.gz VFZXGEWSROFBEH-VIFPVBQESA-N 0 0 172.227 2.611 10 0 AFAERN Cc1ccc2c(c1)[C@](O)(C(C)C)CC2 129404235 343849488 /nfs/dbraw/zinc/84/94/88/343849488.db2.gz DJDRVAYMCNVCCT-CYBMUJFWSA-N 0 0 190.286 2.785 10 0 AFAERN Cc1ccc2c3c1C(=O)[C@H](C)[C@@H]3CC2 129418119 343849508 /nfs/dbraw/zinc/84/95/08/343849508.db2.gz ZXECNVBREGHOSX-SCZZXKLOSA-N 0 0 186.254 2.857 10 0 AFAERN Cc1ccc2c3c1C(=O)[C@H](C)[C@H]3CC2 129418576 343849778 /nfs/dbraw/zinc/84/97/78/343849778.db2.gz ZXECNVBREGHOSX-PSASIEDQSA-N 0 0 186.254 2.857 10 0 AFAERN Cc1ccc2c3c1C(=O)[C@@H](C)[C@H]3CC2 129418765 343849918 /nfs/dbraw/zinc/84/99/18/343849918.db2.gz ZXECNVBREGHOSX-WCBMZHEXSA-N 0 0 186.254 2.857 10 0 AFAERN Cc1ccc2c3c1C(=O)[C@@H](C)[C@@H]3CC2 129418358 343849957 /nfs/dbraw/zinc/84/99/57/343849957.db2.gz ZXECNVBREGHOSX-WPRPVWTQSA-N 0 0 186.254 2.857 10 0 AFAERN O=C(C1CCCCCC1)[C@H]1CCCO1 129462021 343850458 /nfs/dbraw/zinc/85/04/58/343850458.db2.gz MBVXVCXXJQUDEW-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN O=C(C1CCCCCC1)[C@@H]1CCCO1 129461815 343850643 /nfs/dbraw/zinc/85/06/43/343850643.db2.gz MBVXVCXXJQUDEW-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H](O)[C@H]1CCc2ccc(C)cc21 129483749 343851055 /nfs/dbraw/zinc/85/10/55/343851055.db2.gz CEVOJEVLHSCLJM-WCQYABFASA-N 0 0 190.286 2.796 10 0 AFAERN CC[C@H](O)[C@H]1CCc2ccc(C)cc21 129483509 343851121 /nfs/dbraw/zinc/85/11/21/343851121.db2.gz CEVOJEVLHSCLJM-AAEUAGOBSA-N 0 0 190.286 2.796 10 0 AFAERN CC[C@H](O)[C@@H]1CCc2ccc(C)cc21 129483137 343851251 /nfs/dbraw/zinc/85/12/51/343851251.db2.gz CEVOJEVLHSCLJM-YPMHNXCESA-N 0 0 190.286 2.796 10 0 AFAERN CC[C@@H](O)[C@@H]1CCc2ccc(C)cc21 129483323 343851337 /nfs/dbraw/zinc/85/13/37/343851337.db2.gz CEVOJEVLHSCLJM-DGCLKSJQSA-N 0 0 190.286 2.796 10 0 AFAERN O=C(c1ncc[nH]1)C1CCCCCC1 129469912 343851436 /nfs/dbraw/zinc/85/14/36/343851436.db2.gz NKEUEIXQPDNGHL-UHFFFAOYSA-N 0 0 192.262 2.563 10 0 AFAERN CO[C@@H](C)C(=O)C1CCCCCC1 129467291 343851511 /nfs/dbraw/zinc/85/15/11/343851511.db2.gz SHVBULPHMZOFKE-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CO[C@H](C)C(=O)C1CCCCCC1 129467527 343851526 /nfs/dbraw/zinc/85/15/26/343851526.db2.gz SHVBULPHMZOFKE-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CCCNc1nc(C)c(CC)s1 129505432 343851738 /nfs/dbraw/zinc/85/17/38/343851738.db2.gz DKUHMABXJQEEKJ-UHFFFAOYSA-N 0 0 184.308 2.836 10 0 AFAERN C[C@@H](O)c1cc2c(s1)CCCC2 129555523 343852461 /nfs/dbraw/zinc/85/24/61/343852461.db2.gz WPAYMPRPRXUEJM-SSDOTTSWSA-N 0 0 182.288 2.680 10 0 AFAERN C[C@H](O)c1cc2c(s1)CCCC2 129555286 343852586 /nfs/dbraw/zinc/85/25/86/343852586.db2.gz WPAYMPRPRXUEJM-ZETCQYMHSA-N 0 0 182.288 2.680 10 0 AFAERN O=C1CCC(OCC2CCCC2)CC1 129582986 343852944 /nfs/dbraw/zinc/85/29/44/343852944.db2.gz CKFIZRDESZUSIZ-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN CSCC[C@H]1CCCCCC1=O 129598589 343853824 /nfs/dbraw/zinc/85/38/24/343853824.db2.gz JUCAOHCBVVPGLI-SECBINFHSA-N 0 0 186.320 2.889 10 0 AFAERN CC1(C)CC[C@@H](Nc2nncs2)C1 129694937 343854810 /nfs/dbraw/zinc/85/48/10/343854810.db2.gz GVZHBNLUPUCQBA-SSDOTTSWSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CC[C@H](n2cc[nH]c2=S)C1 129711826 343855234 /nfs/dbraw/zinc/85/52/34/343855234.db2.gz FFXDRBOMWZDXTL-SFYZADRCSA-N 0 0 182.292 2.533 10 0 AFAERN Cc1ccc(C=O)c(C(C)C)c1 129708935 343855333 /nfs/dbraw/zinc/85/53/33/343855333.db2.gz FWEPQKMEZXKPQS-UHFFFAOYSA-N 0 0 162.232 2.931 10 0 AFAERN C[C@H]1CC[C@@H](n2cc[nH]c2=S)C1 129712465 343855536 /nfs/dbraw/zinc/85/55/36/343855536.db2.gz FFXDRBOMWZDXTL-JGVFFNPUSA-N 0 0 182.292 2.533 10 0 AFAERN C[C@H]1CC[C@H](n2cc[nH]c2=S)C1 129712058 343855582 /nfs/dbraw/zinc/85/55/82/343855582.db2.gz FFXDRBOMWZDXTL-YUMQZZPRSA-N 0 0 182.292 2.533 10 0 AFAERN Nc1cc(NC2CCCC2)ccc1F 129728080 343855916 /nfs/dbraw/zinc/85/59/16/343855916.db2.gz DVWMTCGAVQYVJD-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN Cc1cc(-c2ccsc2)cnc1N 129736481 343855926 /nfs/dbraw/zinc/85/59/26/343855926.db2.gz UFBRIKVFRDWVPT-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Nc1ccc(NC2CCCC2)cc1F 129741706 343855966 /nfs/dbraw/zinc/85/59/66/343855966.db2.gz IBDPRRRFJYJUKE-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN Cc1cn([C@@H]2CC[C@H](C)C2)c(=S)[nH]1 129788304 343856546 /nfs/dbraw/zinc/85/65/46/343856546.db2.gz LOICCAKCFHTQNB-IONNQARKSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1cn([C@H]2CC[C@@H](C)C2)c(=S)[nH]1 129788936 343856603 /nfs/dbraw/zinc/85/66/03/343856603.db2.gz LOICCAKCFHTQNB-APPZFPTMSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1cn([C@@H]2CC[C@@H](C)C2)c(=S)[nH]1 129788750 343856653 /nfs/dbraw/zinc/85/66/53/343856653.db2.gz LOICCAKCFHTQNB-VXNVDRBHSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1c[nH]c(=S)n1[C@@H]1CC[C@@H](C)C1 129786986 343856671 /nfs/dbraw/zinc/85/66/71/343856671.db2.gz WMAUNSDWOGROPZ-VXNVDRBHSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1c[nH]c(=S)n1[C@H]1CC[C@@H](C)C1 129787236 343856678 /nfs/dbraw/zinc/85/66/78/343856678.db2.gz WMAUNSDWOGROPZ-APPZFPTMSA-N 0 0 196.319 2.841 10 0 AFAERN CSc1cccc(OC(C)C)c1N 129798215 343856681 /nfs/dbraw/zinc/85/66/81/343856681.db2.gz CTZZKFWCGIMCMH-UHFFFAOYSA-N 0 0 197.303 2.778 10 0 AFAERN Cc1c[nH]c(=S)n1[C@H]1CC[C@H](C)C1 129786764 343856724 /nfs/dbraw/zinc/85/67/24/343856724.db2.gz WMAUNSDWOGROPZ-CBAPKCEASA-N 0 0 196.319 2.841 10 0 AFAERN Cc1c[nH]c(=S)n1[C@@H]1CC[C@H](C)C1 129786558 343856837 /nfs/dbraw/zinc/85/68/37/343856837.db2.gz WMAUNSDWOGROPZ-IONNQARKSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1cn([C@H]2CC[C@H](C)C2)c(=S)[nH]1 129788514 343856880 /nfs/dbraw/zinc/85/68/80/343856880.db2.gz LOICCAKCFHTQNB-CBAPKCEASA-N 0 0 196.319 2.841 10 0 AFAERN C[C@@H]1CC[C@H](n2cccc2C=O)C1 129897738 343858822 /nfs/dbraw/zinc/85/88/22/343858822.db2.gz ZXXQAWZWGSDFNN-ZJUUUORDSA-N 0 0 177.247 2.662 10 0 AFAERN C[C@H]1CC[C@H](n2cccc2C=O)C1 129897932 343858861 /nfs/dbraw/zinc/85/88/61/343858861.db2.gz ZXXQAWZWGSDFNN-UWVGGRQHSA-N 0 0 177.247 2.662 10 0 AFAERN C[C@@H]1CC[C@@H](n2cccc2C=O)C1 129898175 343858914 /nfs/dbraw/zinc/85/89/14/343858914.db2.gz ZXXQAWZWGSDFNN-NXEZZACHSA-N 0 0 177.247 2.662 10 0 AFAERN C[C@H]1CC[C@@H](n2cccc2C=O)C1 129898376 343858980 /nfs/dbraw/zinc/85/89/80/343858980.db2.gz ZXXQAWZWGSDFNN-VHSXEESVSA-N 0 0 177.247 2.662 10 0 AFAERN Cc1nnc(Cl)n1[C@@H]1CC[C@H](C)C1 129930445 343859275 /nfs/dbraw/zinc/85/92/75/343859275.db2.gz CBKUWKBPUWCQPQ-POYBYMJQSA-N 0 0 199.685 2.601 10 0 AFAERN CC(C)(C)CCNc1cccnc1N 129946205 343859305 /nfs/dbraw/zinc/85/93/05/343859305.db2.gz MTLJICCLLJKRND-UHFFFAOYSA-N 0 0 193.294 2.512 10 0 AFAERN Cc1nnc(Cl)n1[C@@H]1CC[C@@H](C)C1 129930846 343859313 /nfs/dbraw/zinc/85/93/13/343859313.db2.gz CBKUWKBPUWCQPQ-HTRCEHHLSA-N 0 0 199.685 2.601 10 0 AFAERN CC1(C)CC[C@H](n2cnnc2Cl)C1 129932175 343859355 /nfs/dbraw/zinc/85/93/55/343859355.db2.gz UUPGCYWDMQWRMA-ZETCQYMHSA-N 0 0 199.685 2.683 10 0 AFAERN CC(C)(C)CCNc1ncccc1N 129934383 343859381 /nfs/dbraw/zinc/85/93/81/343859381.db2.gz DNDKMYZMMADSSF-UHFFFAOYSA-N 0 0 193.294 2.512 10 0 AFAERN Cc1nnc(Cl)n1[C@H]1CC[C@@H](C)C1 129931076 343859445 /nfs/dbraw/zinc/85/94/45/343859445.db2.gz CBKUWKBPUWCQPQ-SVRRBLITSA-N 0 0 199.685 2.601 10 0 AFAERN CC(C)(C)CCNc1ccc(N)nc1 129934176 343859497 /nfs/dbraw/zinc/85/94/97/343859497.db2.gz JLGCIEFLJMSIJI-UHFFFAOYSA-N 0 0 193.294 2.512 10 0 AFAERN Cc1nnc(Cl)n1[C@H]1CC[C@H](C)C1 129930633 343859524 /nfs/dbraw/zinc/85/95/24/343859524.db2.gz CBKUWKBPUWCQPQ-XPUUQOCRSA-N 0 0 199.685 2.601 10 0 AFAERN C[C@@H](CO)C1CCCCCC1 129994812 343859749 /nfs/dbraw/zinc/85/97/49/343859749.db2.gz TULHILAAOXONNC-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@@](C)(CO)C1CCCC1 129995643 343859764 /nfs/dbraw/zinc/85/97/64/343859764.db2.gz XBKHJQVVAJGORB-JTQLQIEISA-N 0 0 156.269 2.585 10 0 AFAERN C[C@H](CO)C1CCCCCC1 129995027 343859819 /nfs/dbraw/zinc/85/98/19/343859819.db2.gz TULHILAAOXONNC-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@@](C)(CO)C1CCCCC1 129996045 343859823 /nfs/dbraw/zinc/85/98/23/343859823.db2.gz XNSBNQXLTPEVKB-NSHDSACASA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@H](CO)C1CCCCCC1 129999342 343859894 /nfs/dbraw/zinc/85/98/94/343859894.db2.gz OLWWWGDKORFGRA-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@](C)(CO)C1CCCCC1 129996261 343860034 /nfs/dbraw/zinc/86/00/34/343860034.db2.gz XNSBNQXLTPEVKB-LLVKDONJSA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@](C)(CO)C1CCCC1 129995833 343860111 /nfs/dbraw/zinc/86/01/11/343860111.db2.gz XBKHJQVVAJGORB-SNVBAGLBSA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@@H](CO)C1CCCCCC1 129999128 343860155 /nfs/dbraw/zinc/86/01/55/343860155.db2.gz OLWWWGDKORFGRA-JTQLQIEISA-N 0 0 170.296 2.975 10 0 AFAERN Oc1ccccc1OCc1ccoc1 130100605 343861877 /nfs/dbraw/zinc/86/18/77/343861877.db2.gz NCZHMJDFZZJNIE-UHFFFAOYSA-N 0 0 190.198 2.564 10 0 AFAERN Oc1ccc(OCc2ccoc2)cc1 130100389 343861945 /nfs/dbraw/zinc/86/19/45/343861945.db2.gz DBMHDQRKBSHTLI-UHFFFAOYSA-N 0 0 190.198 2.564 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](Cc2ccoc2)C1 130120219 343862383 /nfs/dbraw/zinc/86/23/83/343862383.db2.gz SRHGYRVCGAGKJE-MWLCHTKSSA-N 0 0 192.258 2.827 10 0 AFAERN C[C@H]1CCC(=O)[C@@H](Cc2ccoc2)C1 130120443 343862398 /nfs/dbraw/zinc/86/23/98/343862398.db2.gz SRHGYRVCGAGKJE-GXSJLCMTSA-N 0 0 192.258 2.827 10 0 AFAERN O=C1CCCCC[C@H]1Cc1ccoc1 130119388 343862505 /nfs/dbraw/zinc/86/25/05/343862505.db2.gz TYXVHSAIUFSYSC-NSHDSACASA-N 0 0 192.258 2.972 10 0 AFAERN O=C1CCCC[C@H]1Cc1ccoc1 130117630 343862655 /nfs/dbraw/zinc/86/26/55/343862655.db2.gz UPCJDOAAXCVQLR-JTQLQIEISA-N 0 0 178.231 2.581 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](Cc2ccoc2)C1 130119811 343862533 /nfs/dbraw/zinc/86/25/33/343862533.db2.gz SRHGYRVCGAGKJE-KOLCDFICSA-N 0 0 192.258 2.827 10 0 AFAERN C[C@H]1CCC(=O)[C@H](Cc2ccoc2)C1 130120005 343862548 /nfs/dbraw/zinc/86/25/48/343862548.db2.gz SRHGYRVCGAGKJE-ONGXEEELSA-N 0 0 192.258 2.827 10 0 AFAERN O=C1CCCCC[C@@H]1Cc1ccoc1 130119588 343862566 /nfs/dbraw/zinc/86/25/66/343862566.db2.gz TYXVHSAIUFSYSC-LLVKDONJSA-N 0 0 192.258 2.972 10 0 AFAERN O=C1CCCC[C@@H]1Cc1ccoc1 130117857 343862811 /nfs/dbraw/zinc/86/28/11/343862811.db2.gz UPCJDOAAXCVQLR-SNVBAGLBSA-N 0 0 178.231 2.581 10 0 AFAERN Cc1ccc2nc(Cl)c(N)cc2c1 130155090 343863070 /nfs/dbraw/zinc/86/30/70/343863070.db2.gz PHPMGINCELTTGC-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Cc1cccc2nc(Cl)c(N)cc12 130148370 343863206 /nfs/dbraw/zinc/86/32/06/343863206.db2.gz QYWOUUYOKHMTEY-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Nc1cc2c(F)cccc2nc1Cl 130148824 343863385 /nfs/dbraw/zinc/86/33/85/343863385.db2.gz NAAIITCPLFQTFR-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1cc2cc(F)ccc2nc1Cl 130153651 343863400 /nfs/dbraw/zinc/86/34/00/343863400.db2.gz AGTOTFUHZVLPSL-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CC(C)(C)CCNc1cncc(N)c1 130168083 343863493 /nfs/dbraw/zinc/86/34/93/343863493.db2.gz CIRUONWBBYIWMC-UHFFFAOYSA-N 0 0 193.294 2.512 10 0 AFAERN Nc1cc2ccc(F)cc2nc1Cl 130182624 343863601 /nfs/dbraw/zinc/86/36/01/343863601.db2.gz VBUHIMXUPIKPIF-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1cc2cccc(F)c2nc1Cl 130184420 343863907 /nfs/dbraw/zinc/86/39/07/343863907.db2.gz YQFKAGMVCTYLTB-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN C[C@H]1CCCC[C@]1(O)Cc1ccco1 130227087 343864761 /nfs/dbraw/zinc/86/47/61/343864761.db2.gz BBMXHNYASOMPMX-JQWIXIFHSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@H]1CCC[C@](O)(Cc2ccoc2)C1 130219010 343864765 /nfs/dbraw/zinc/86/47/65/343864765.db2.gz GODZHJOMJPKQCX-CMPLNLGQSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@@H]1CCC[C@@](O)(Cc2ccco2)C1 130220050 343864767 /nfs/dbraw/zinc/86/47/67/343864767.db2.gz GXWLXVMHIOMUOF-PWSUYJOCSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@@H]1CCCC[C@]1(O)Cc1ccco1 130226880 343864811 /nfs/dbraw/zinc/86/48/11/343864811.db2.gz BBMXHNYASOMPMX-PWSUYJOCSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@@H]1CCC[C@@](O)(Cc2ccoc2)C1 130219242 343864947 /nfs/dbraw/zinc/86/49/47/343864947.db2.gz GODZHJOMJPKQCX-PWSUYJOCSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@@H]1CCCC[C@@]1(O)Cc1ccco1 130227350 343864950 /nfs/dbraw/zinc/86/49/50/343864950.db2.gz BBMXHNYASOMPMX-ZYHUDNBSSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@H]1CCCC[C@@]1(O)Cc1ccco1 130227547 343865012 /nfs/dbraw/zinc/86/50/12/343865012.db2.gz BBMXHNYASOMPMX-CMPLNLGQSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@@H]1CCC[C@](O)(Cc2ccoc2)C1 130218789 343865050 /nfs/dbraw/zinc/86/50/50/343865050.db2.gz GODZHJOMJPKQCX-ZYHUDNBSSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@@H]1CCCC[C@]1(O)Cc1ccoc1 130226029 343865054 /nfs/dbraw/zinc/86/50/54/343865054.db2.gz RKWBHDPXWQKIAK-PWSUYJOCSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@H]1CCC[C@@](O)(Cc2ccoc2)C1 130219410 343865075 /nfs/dbraw/zinc/86/50/75/343865075.db2.gz GODZHJOMJPKQCX-JQWIXIFHSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@@H]1CCCC[C@@]1(O)Cc1ccoc1 130226476 343865095 /nfs/dbraw/zinc/86/50/95/343865095.db2.gz RKWBHDPXWQKIAK-ZYHUDNBSSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@H]1CCC[C@@](O)(Cc2ccco2)C1 130220259 343865140 /nfs/dbraw/zinc/86/51/40/343865140.db2.gz GXWLXVMHIOMUOF-JQWIXIFHSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@@H]1CCC[C@](O)(Cc2ccco2)C1 130219629 343865214 /nfs/dbraw/zinc/86/52/14/343865214.db2.gz GXWLXVMHIOMUOF-ZYHUDNBSSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@H]1CCC[C@](O)(Cc2ccco2)C1 130219820 343865238 /nfs/dbraw/zinc/86/52/38/343865238.db2.gz GXWLXVMHIOMUOF-CMPLNLGQSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@H]1CCCC[C@]1(O)Cc1ccoc1 130226249 343865249 /nfs/dbraw/zinc/86/52/49/343865249.db2.gz RKWBHDPXWQKIAK-JQWIXIFHSA-N 0 0 194.274 2.763 10 0 AFAERN C[C@H]1CCCC[C@@]1(O)Cc1ccoc1 130226692 343865261 /nfs/dbraw/zinc/86/52/61/343865261.db2.gz RKWBHDPXWQKIAK-CMPLNLGQSA-N 0 0 194.274 2.763 10 0 AFAERN O[C@@H](Cc1ccco1)c1ccsc1 130305511 343866298 /nfs/dbraw/zinc/86/62/98/343866298.db2.gz TYNGOFKNDDVUAF-JTQLQIEISA-N 0 0 194.255 2.617 10 0 AFAERN O[C@H](Cc1ccco1)c1cccs1 130313489 343866299 /nfs/dbraw/zinc/86/62/99/343866299.db2.gz OECDBWADMGEBLX-SECBINFHSA-N 0 0 194.255 2.617 10 0 AFAERN O[C@H](Cc1ccco1)C1CCCCC1 130342185 343866878 /nfs/dbraw/zinc/86/68/78/343866878.db2.gz BAGFGZDNWNAWSC-GFCCVEGCSA-N 0 0 194.274 2.763 10 0 AFAERN O[C@@H](Cc1ccco1)C1CCCCC1 130341982 343866923 /nfs/dbraw/zinc/86/69/23/343866923.db2.gz BAGFGZDNWNAWSC-LBPRGKRZSA-N 0 0 194.274 2.763 10 0 AFAERN O[C@H](Cc1ccoc1)[C@H]1CC=CCC1 130388697 343867904 /nfs/dbraw/zinc/86/79/04/343867904.db2.gz HBMYHWKOTDGQLP-NWDGAFQWSA-N 0 0 192.258 2.539 10 0 AFAERN O[C@@H](Cc1ccoc1)[C@H]1CC=CCC1 130388460 343867983 /nfs/dbraw/zinc/86/79/83/343867983.db2.gz HBMYHWKOTDGQLP-RYUDHWBXSA-N 0 0 192.258 2.539 10 0 AFAERN O[C@H](Cc1ccco1)[C@H]1CC=CCC1 130389478 343868043 /nfs/dbraw/zinc/86/80/43/343868043.db2.gz VEPOPZDMCFEULX-CMPLNLGQSA-N 0 0 192.258 2.539 10 0 AFAERN O[C@@H](Cc1ccco1)[C@H]1CC=CCC1 130389273 343868084 /nfs/dbraw/zinc/86/80/84/343868084.db2.gz VEPOPZDMCFEULX-JQWIXIFHSA-N 0 0 192.258 2.539 10 0 AFAERN O[C@H](Cc1ccoc1)[C@@H]1CC=CCC1 130389069 343868150 /nfs/dbraw/zinc/86/81/50/343868150.db2.gz HBMYHWKOTDGQLP-VXGBXAGGSA-N 0 0 192.258 2.539 10 0 AFAERN O[C@H](Cc1ccco1)[C@@H]1CC=CCC1 130389854 343868196 /nfs/dbraw/zinc/86/81/96/343868196.db2.gz VEPOPZDMCFEULX-ZYHUDNBSSA-N 0 0 192.258 2.539 10 0 AFAERN O[C@@H](Cc1ccoc1)[C@@H]1CC=CCC1 130388903 343868247 /nfs/dbraw/zinc/86/82/47/343868247.db2.gz HBMYHWKOTDGQLP-NEPJUHHUSA-N 0 0 192.258 2.539 10 0 AFAERN CC[C@@H]1CC[C@@](O)(Cc2ccco2)C1 130424364 343868404 /nfs/dbraw/zinc/86/84/04/343868404.db2.gz TUYZLFQHJPXVOW-PWSUYJOCSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@@H]1CC[C@](O)(Cc2ccco2)C1 130423935 343868434 /nfs/dbraw/zinc/86/84/34/343868434.db2.gz TUYZLFQHJPXVOW-ZYHUDNBSSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@@H]1CC[C@](O)(Cc2ccoc2)C1 130423070 343868452 /nfs/dbraw/zinc/86/84/52/343868452.db2.gz NNVSPTCLHVLIRC-ZYHUDNBSSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@@H]1CC[C@@](O)(Cc2ccoc2)C1 130423493 343868549 /nfs/dbraw/zinc/86/85/49/343868549.db2.gz NNVSPTCLHVLIRC-PWSUYJOCSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@H]1CC[C@@](O)(Cc2ccoc2)C1 130423730 343868612 /nfs/dbraw/zinc/86/86/12/343868612.db2.gz NNVSPTCLHVLIRC-JQWIXIFHSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@H]1CC[C@@](O)(Cc2ccco2)C1 130424575 343868732 /nfs/dbraw/zinc/86/87/32/343868732.db2.gz TUYZLFQHJPXVOW-JQWIXIFHSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@H]1CC[C@](O)(Cc2ccco2)C1 130424161 343868745 /nfs/dbraw/zinc/86/87/45/343868745.db2.gz TUYZLFQHJPXVOW-CMPLNLGQSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@H]1CC[C@](O)(Cc2ccoc2)C1 130423289 343868809 /nfs/dbraw/zinc/86/88/09/343868809.db2.gz NNVSPTCLHVLIRC-CMPLNLGQSA-N 0 0 194.274 2.763 10 0 AFAERN CC(C)(C)[C@@](C)(O)Cc1ccoc1 130530613 343869634 /nfs/dbraw/zinc/86/96/34/343869634.db2.gz NHISIWYAGINVOS-NSHDSACASA-N 0 0 182.263 2.619 10 0 AFAERN CC(C)(C)[C@@](C)(O)Cc1ccco1 130531046 343869697 /nfs/dbraw/zinc/86/96/97/343869697.db2.gz BPDAHNLTXXWIJU-NSHDSACASA-N 0 0 182.263 2.619 10 0 AFAERN CC(C)(C)[C@](C)(O)Cc1ccco1 130530831 343869882 /nfs/dbraw/zinc/86/98/82/343869882.db2.gz BPDAHNLTXXWIJU-LLVKDONJSA-N 0 0 182.263 2.619 10 0 AFAERN CC(C)(C)[C@](C)(O)Cc1ccoc1 130530386 343870004 /nfs/dbraw/zinc/87/00/04/343870004.db2.gz NHISIWYAGINVOS-LLVKDONJSA-N 0 0 182.263 2.619 10 0 AFAERN O=C(Cc1ccoc1)c1ccsc1 130579853 343870324 /nfs/dbraw/zinc/87/03/24/343870324.db2.gz HNUALBSZAULQQC-UHFFFAOYSA-N 0 0 192.239 2.767 10 0 AFAERN C[C@@H](F)c1cccc2c1NCC2 130582057 343870429 /nfs/dbraw/zinc/87/04/29/343870429.db2.gz CLTKBVXPWMTIAR-SSDOTTSWSA-N 0 0 165.211 2.685 10 0 AFAERN O=C(Cc1ccco1)c1ccsc1 130580092 343870478 /nfs/dbraw/zinc/87/04/78/343870478.db2.gz WBWBKRFHYBLFSO-UHFFFAOYSA-N 0 0 192.239 2.767 10 0 AFAERN O=C(Cc1ccoc1)C1CCCCC1 130587160 343870482 /nfs/dbraw/zinc/87/04/82/343870482.db2.gz IVNFNWCRCADDJZ-UHFFFAOYSA-N 0 0 192.258 2.972 10 0 AFAERN C[C@H](F)c1cccc2c1NCC2 130581818 343870487 /nfs/dbraw/zinc/87/04/87/343870487.db2.gz CLTKBVXPWMTIAR-ZETCQYMHSA-N 0 0 165.211 2.685 10 0 AFAERN O=C(Cc1ccco1)c1cccs1 130575574 343870493 /nfs/dbraw/zinc/87/04/93/343870493.db2.gz XFGOMVQJRJZYLW-UHFFFAOYSA-N 0 0 192.239 2.767 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)Cc2ccoc2)C1 130638963 343871398 /nfs/dbraw/zinc/87/13/98/343871398.db2.gz OSZWKENXUVBUON-KOLCDFICSA-N 0 0 192.258 2.827 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)Cc2ccco2)C1 130639717 343871457 /nfs/dbraw/zinc/87/14/57/343871457.db2.gz AAJKVJTWKNNIMW-ZJUUUORDSA-N 0 0 192.258 2.827 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)Cc2ccco2)C1 130640353 343871484 /nfs/dbraw/zinc/87/14/84/343871484.db2.gz AAJKVJTWKNNIMW-VHSXEESVSA-N 0 0 192.258 2.827 10 0 AFAERN C[C@H]1CC[C@H](C(=O)Cc2ccoc2)C1 130639127 343871543 /nfs/dbraw/zinc/87/15/43/343871543.db2.gz OSZWKENXUVBUON-ONGXEEELSA-N 0 0 192.258 2.827 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)Cc2ccco2)C1 130640143 343871629 /nfs/dbraw/zinc/87/16/29/343871629.db2.gz AAJKVJTWKNNIMW-NXEZZACHSA-N 0 0 192.258 2.827 10 0 AFAERN C[C@H]1CC[C@H](C(=O)Cc2ccco2)C1 130639941 343871645 /nfs/dbraw/zinc/87/16/45/343871645.db2.gz AAJKVJTWKNNIMW-UWVGGRQHSA-N 0 0 192.258 2.827 10 0 AFAERN Cc1csc(NCc2ccoc2)n1 130827491 343875357 /nfs/dbraw/zinc/87/53/57/343875357.db2.gz OLZFMWZNKOVLST-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN CC(C)Cc1cccc2c1CCN2 130901609 343877138 /nfs/dbraw/zinc/87/71/38/343877138.db2.gz SRYOMZYPNWVNGV-UHFFFAOYSA-N 0 0 175.275 2.853 10 0 AFAERN CC(C)c1cccc2c1CCN2 130901831 343877271 /nfs/dbraw/zinc/87/72/71/343877271.db2.gz NEGHNYRTNBCSGA-UHFFFAOYSA-N 0 0 161.248 2.778 10 0 AFAERN c1coc(-c2ccc3c(c2)NCC3)c1 130912634 343877732 /nfs/dbraw/zinc/87/77/32/343877732.db2.gz RGENGNMJYUHRAA-UHFFFAOYSA-N 0 0 185.226 2.915 10 0 AFAERN CC(C)Cc1ccc2c(c1)NCC2 130911995 343877767 /nfs/dbraw/zinc/87/77/67/343877767.db2.gz LXPUVKBBCRMGPF-UHFFFAOYSA-N 0 0 175.275 2.853 10 0 AFAERN C[C@@H]1CC[C@H](O)c2cc(F)ccc21 131008749 343878525 /nfs/dbraw/zinc/87/85/25/343878525.db2.gz TYKTYYKMYAYLAZ-HQJQHLMTSA-N 0 0 180.222 2.756 10 0 AFAERN COc1ccc2c(c1)[C@H](O)CC[C@@H]2C 130999873 343878551 /nfs/dbraw/zinc/87/85/51/343878551.db2.gz MLMVAZIXGNOPEB-QPUJVOFHSA-N 0 0 192.258 2.626 10 0 AFAERN Cc1ccc2c(c1)[C@@H](O)CC[C@H]2C 130995168 343878619 /nfs/dbraw/zinc/87/86/19/343878619.db2.gz JZFULYCSKNGSPI-SKDRFNHKSA-N 0 0 176.259 2.926 10 0 AFAERN COc1ccc2c(c1)[C@H](O)CC[C@H]2C 130999674 343878716 /nfs/dbraw/zinc/87/87/16/343878716.db2.gz MLMVAZIXGNOPEB-PRHODGIISA-N 0 0 192.258 2.626 10 0 AFAERN COc1ccc2c(c1)[C@@H](O)CC[C@@H]2C 130999442 343878729 /nfs/dbraw/zinc/87/87/29/343878729.db2.gz MLMVAZIXGNOPEB-UFBFGSQYSA-N 0 0 192.258 2.626 10 0 AFAERN C[C@H]1CC[C@H](O)c2cc(F)ccc21 131008947 343878741 /nfs/dbraw/zinc/87/87/41/343878741.db2.gz TYKTYYKMYAYLAZ-CPCISQLKSA-N 0 0 180.222 2.756 10 0 AFAERN COc1ccc2c(c1)[C@@H](O)CC[C@H]2C 130999220 343878787 /nfs/dbraw/zinc/87/87/87/343878787.db2.gz MLMVAZIXGNOPEB-PELKAZGASA-N 0 0 192.258 2.626 10 0 AFAERN C[C@H]1CC[C@@H](O)c2cc(F)cc(F)c21 131011900 343878826 /nfs/dbraw/zinc/87/88/26/343878826.db2.gz PMVJMYCMIIFHBL-QUBYGPBYSA-N 0 0 198.212 2.896 10 0 AFAERN C[C@@H]1CC[C@@H](O)c2cc(F)ccc21 131009152 343878860 /nfs/dbraw/zinc/87/88/60/343878860.db2.gz TYKTYYKMYAYLAZ-RDDDGLTNSA-N 0 0 180.222 2.756 10 0 AFAERN CC[C@@]1(C)C[C@@H](O)c2ccccc2O1 131057418 343879127 /nfs/dbraw/zinc/87/91/27/343879127.db2.gz IDTJGSVSGGBYFW-PWSUYJOCSA-N 0 0 192.258 2.671 10 0 AFAERN CCC[C@@H]1C[C@@H](O)c2ccccc2O1 131053030 343879246 /nfs/dbraw/zinc/87/92/46/343879246.db2.gz GATCZELEDIMYGK-MWLCHTKSSA-N 0 0 192.258 2.671 10 0 AFAERN CC[C@@]1(C)C[C@H](O)c2ccccc2O1 131057019 343879298 /nfs/dbraw/zinc/87/92/98/343879298.db2.gz IDTJGSVSGGBYFW-JQWIXIFHSA-N 0 0 192.258 2.671 10 0 AFAERN CC[C@]1(C)C[C@@H](O)c2ccccc2O1 131057206 343879317 /nfs/dbraw/zinc/87/93/17/343879317.db2.gz IDTJGSVSGGBYFW-ZYHUDNBSSA-N 0 0 192.258 2.671 10 0 AFAERN CC(C)=C[C@@H]([NH3+])c1ccc(C)o1 131068623 343879325 /nfs/dbraw/zinc/87/93/25/343879325.db2.gz QDLDYPONHFAWRW-SECBINFHSA-N 0 0 165.236 2.554 10 0 AFAERN CCC[C@H]1C[C@@H](O)c2ccccc2O1 131053232 343879332 /nfs/dbraw/zinc/87/93/32/343879332.db2.gz GATCZELEDIMYGK-GXSJLCMTSA-N 0 0 192.258 2.671 10 0 AFAERN CC[C@]1(C)C[C@H](O)c2ccccc2O1 131056827 343879435 /nfs/dbraw/zinc/87/94/35/343879435.db2.gz IDTJGSVSGGBYFW-CMPLNLGQSA-N 0 0 192.258 2.671 10 0 AFAERN CC(C)=C[C@H]([NH3+])c1ccc(C)o1 131068812 343879557 /nfs/dbraw/zinc/87/95/57/343879557.db2.gz QDLDYPONHFAWRW-VIFPVBQESA-N 0 0 165.236 2.554 10 0 AFAERN Cc1ccc(NC2CC=CC2)nc1 131096665 343879918 /nfs/dbraw/zinc/87/99/18/343879918.db2.gz LRQSNJWQFULQNT-UHFFFAOYSA-N 0 0 174.247 2.521 10 0 AFAERN CCOc1nc2c(C)cc(C)cc2[nH]1 131114872 343880044 /nfs/dbraw/zinc/88/00/44/343880044.db2.gz OPHCNEQJVLTHEZ-UHFFFAOYSA-N 0 0 190.246 2.578 10 0 AFAERN O=C(c1ncccc1F)C1CCCC1 131161811 343880427 /nfs/dbraw/zinc/88/04/27/343880427.db2.gz FGMBTNOWOLHRAA-UHFFFAOYSA-N 0 0 193.221 2.594 10 0 AFAERN CSCC[C@@H]1[NH2+]Cc2ccccc21 131145298 343880546 /nfs/dbraw/zinc/88/05/46/343880546.db2.gz XTTGPZWDGVEETP-NSHDSACASA-N 0 0 193.315 2.584 10 0 AFAERN CSCC[C@H]1[NH2+]Cc2ccccc21 131145108 343880719 /nfs/dbraw/zinc/88/07/19/343880719.db2.gz XTTGPZWDGVEETP-LLVKDONJSA-N 0 0 193.315 2.584 10 0 AFAERN CC(=O)c1ccc(SC(C)C)o1 131590453 343886393 /nfs/dbraw/zinc/88/63/93/343886393.db2.gz GNXMBIKHPFDTIS-UHFFFAOYSA-N 0 0 184.260 2.983 10 0 AFAERN Cc1cc2ccc(N)nc2cc1Cl 131601396 343887103 /nfs/dbraw/zinc/88/71/03/343887103.db2.gz QIIPUKMELAIWMZ-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN FCCNc1ccc(F)c(Cl)c1 131696697 343887899 /nfs/dbraw/zinc/88/78/99/343887899.db2.gz WSVYKTOABYMWHB-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN CC(C)c1ccc(C(F)(F)CN)cc1 131743923 343888120 /nfs/dbraw/zinc/88/81/20/343888120.db2.gz GKKBTWWDMIJTCD-UHFFFAOYSA-N 0 0 199.244 2.861 10 0 AFAERN NCC(F)(F)SC1CCCCC1 131748574 343888423 /nfs/dbraw/zinc/88/84/23/343888423.db2.gz NLVTZGCPSONNRL-UHFFFAOYSA-N 0 0 195.278 2.604 10 0 AFAERN CNCC(F)(F)c1cc(C)cc(C)c1 131790017 343888727 /nfs/dbraw/zinc/88/87/27/343888727.db2.gz IXUSVLOWIXSEFO-UHFFFAOYSA-N 0 0 199.244 2.615 10 0 AFAERN C[C@H]1CC[C@@H](c2nc(N)cs2)C1 131842512 343889314 /nfs/dbraw/zinc/88/93/14/343889314.db2.gz HAKVWDYYLQCHHH-NKWVEPMBSA-N 0 0 182.292 2.629 10 0 AFAERN C[C@@H]1CC[C@@H](c2nc(N)cs2)C1 131842335 343889318 /nfs/dbraw/zinc/88/93/18/343889318.db2.gz HAKVWDYYLQCHHH-RNFRBKRXSA-N 0 0 182.292 2.629 10 0 AFAERN Cc1cscc1-c1nc(N)cs1 131843160 343889366 /nfs/dbraw/zinc/88/93/66/343889366.db2.gz QPBVMZYCZPJQPL-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN C[C@@H]1CC[C@H](c2nc(N)cs2)C1 131841942 343889490 /nfs/dbraw/zinc/88/94/90/343889490.db2.gz HAKVWDYYLQCHHH-RQJHMYQMSA-N 0 0 182.292 2.629 10 0 AFAERN C[C@H]1CC[C@H](c2nc(N)cs2)C1 131842151 343889501 /nfs/dbraw/zinc/88/95/01/343889501.db2.gz HAKVWDYYLQCHHH-BQBZGAKWSA-N 0 0 182.292 2.629 10 0 AFAERN O[C@@H]1CCCCC[C@@H]1Cc1ccoc1 131863741 343889846 /nfs/dbraw/zinc/88/98/46/343889846.db2.gz GZYTZRVHZDBSDY-VXGBXAGGSA-N 0 0 194.274 2.763 10 0 AFAERN O[C@H]1CCCCC[C@H]1Cc1ccoc1 131863138 343889855 /nfs/dbraw/zinc/88/98/55/343889855.db2.gz GZYTZRVHZDBSDY-RYUDHWBXSA-N 0 0 194.274 2.763 10 0 AFAERN O[C@H]1CCCCC[C@@H]1Cc1ccoc1 131863341 343889907 /nfs/dbraw/zinc/88/99/07/343889907.db2.gz GZYTZRVHZDBSDY-NEPJUHHUSA-N 0 0 194.274 2.763 10 0 AFAERN O[C@@H]1CCCCC[C@H]1Cc1ccoc1 131863533 343889921 /nfs/dbraw/zinc/88/99/21/343889921.db2.gz GZYTZRVHZDBSDY-NWDGAFQWSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@H](C)c1nc(N)c(C)s1 131886099 343890362 /nfs/dbraw/zinc/89/03/62/343890362.db2.gz HLSPAOWYNOXTNQ-YFKPBYRVSA-N 0 0 170.281 2.547 10 0 AFAERN c1csc(Cc2nccs2)c1 131876970 343890386 /nfs/dbraw/zinc/89/03/86/343890386.db2.gz VFACATUEZYPQTE-UHFFFAOYSA-N 0 0 181.285 2.795 10 0 AFAERN CC[C@@H](C)c1nc(N)c(C)s1 131885910 343890396 /nfs/dbraw/zinc/89/03/96/343890396.db2.gz HLSPAOWYNOXTNQ-RXMQYKEDSA-N 0 0 170.281 2.547 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cc(C)cc(F)c1 131892511 343890572 /nfs/dbraw/zinc/89/05/72/343890572.db2.gz NZYALTSMZXVVBI-BXKDBHETSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1sc([C@H]2CC[C@H](C)C2)nc1N 131898600 343890632 /nfs/dbraw/zinc/89/06/32/343890632.db2.gz UKGMPPSGBRWIFV-XPUUQOCRSA-N 0 0 196.319 2.937 10 0 AFAERN Cc1sc([C@@H]2CC[C@H](C)C2)nc1N 131898407 343890806 /nfs/dbraw/zinc/89/08/06/343890806.db2.gz UKGMPPSGBRWIFV-POYBYMJQSA-N 0 0 196.319 2.937 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cc(C)cc(F)c1 131893081 343890857 /nfs/dbraw/zinc/89/08/57/343890857.db2.gz NZYALTSMZXVVBI-CABZTGNLSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1sc([C@@H]2CC[C@@H](C)C2)nc1N 131898804 343890868 /nfs/dbraw/zinc/89/08/68/343890868.db2.gz UKGMPPSGBRWIFV-HTRCEHHLSA-N 0 0 196.319 2.937 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cc(C)cc(F)c1 131892712 343890884 /nfs/dbraw/zinc/89/08/84/343890884.db2.gz NZYALTSMZXVVBI-JOYOIKCWSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cc(C)cc(F)c1 131892894 343890887 /nfs/dbraw/zinc/89/08/87/343890887.db2.gz NZYALTSMZXVVBI-SKDRFNHKSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1sc(-c2ccsc2)nc1N 131919956 343891313 /nfs/dbraw/zinc/89/13/13/343891313.db2.gz OMAUSFUQHIBTPG-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CC(C)(C)[C@@H]1CCC[C@@H](NO)CC1 131980051 343891542 /nfs/dbraw/zinc/89/15/42/343891542.db2.gz YVJFPLHOFAGMRS-NXEZZACHSA-N 0 0 185.311 2.960 10 0 AFAERN CC(C)(C)[C@H]1CCC[C@H](NO)CC1 131979844 343891553 /nfs/dbraw/zinc/89/15/53/343891553.db2.gz YVJFPLHOFAGMRS-UWVGGRQHSA-N 0 0 185.311 2.960 10 0 AFAERN C[C@@H](NO)c1ccc(F)cc1Cl 131965315 343891626 /nfs/dbraw/zinc/89/16/26/343891626.db2.gz FYDLJLCCQMJQJC-RXMQYKEDSA-N 0 0 189.617 2.519 10 0 AFAERN CC1(C)CCc2ccccc2[C@@H]1NO 131977937 343891656 /nfs/dbraw/zinc/89/16/56/343891656.db2.gz UHLKATICXCRXOC-NSHDSACASA-N 0 0 191.274 2.679 10 0 AFAERN C[C@@H](NO)c1ccc(F)c(Cl)c1 131990468 343891659 /nfs/dbraw/zinc/89/16/59/343891659.db2.gz WAPSEQSJMKODDL-RXMQYKEDSA-N 0 0 189.617 2.519 10 0 AFAERN ONCc1ccc(-c2ccccc2)cc1 131985880 343891668 /nfs/dbraw/zinc/89/16/68/343891668.db2.gz QPCOXWLCTYYNDF-UHFFFAOYSA-N 0 0 199.253 2.832 10 0 AFAERN CC1(C)CCc2ccccc2[C@H]1NO 131978159 343891672 /nfs/dbraw/zinc/89/16/72/343891672.db2.gz UHLKATICXCRXOC-LLVKDONJSA-N 0 0 191.274 2.679 10 0 AFAERN CC(C)(C)[C@H]1CCC[C@@H](NO)CC1 131980252 343891705 /nfs/dbraw/zinc/89/17/05/343891705.db2.gz YVJFPLHOFAGMRS-VHSXEESVSA-N 0 0 185.311 2.960 10 0 AFAERN Cc1cc(N)cc(-c2ncc(C)o2)c1 131970420 343891778 /nfs/dbraw/zinc/89/17/78/343891778.db2.gz UAVBQSMONPQDHY-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCC(C)(C)C1CCC(NO)CC1 131982200 343891783 /nfs/dbraw/zinc/89/17/83/343891783.db2.gz JLJFENCAAJSXEC-UHFFFAOYSA-N 0 0 185.311 2.960 10 0 AFAERN C[C@H](NO)c1ccc(F)cc1Cl 131965129 343891786 /nfs/dbraw/zinc/89/17/86/343891786.db2.gz FYDLJLCCQMJQJC-YFKPBYRVSA-N 0 0 189.617 2.519 10 0 AFAERN Cc1cc(N)cc(-c2nc(C)co2)c1 131971322 343891845 /nfs/dbraw/zinc/89/18/45/343891845.db2.gz LHUMICHPZIKKSU-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C[C@H](NO)c1ccc(F)c(Cl)c1 131990253 343891849 /nfs/dbraw/zinc/89/18/49/343891849.db2.gz WAPSEQSJMKODDL-YFKPBYRVSA-N 0 0 189.617 2.519 10 0 AFAERN CC(C)(C)[C@@H]1CCC[C@H](NO)CC1 131979634 343891888 /nfs/dbraw/zinc/89/18/88/343891888.db2.gz YVJFPLHOFAGMRS-ZJUUUORDSA-N 0 0 185.311 2.960 10 0 AFAERN CC(C)(C)c1ccc(CNO)s1 131976518 343891918 /nfs/dbraw/zinc/89/19/18/343891918.db2.gz WLOWDSLEYDCCHC-UHFFFAOYSA-N 0 0 185.292 2.524 10 0 AFAERN CCc1ccc([C@@H](CC)NO)cc1 132019447 343892174 /nfs/dbraw/zinc/89/21/74/343892174.db2.gz WRSNWNGOHBCSOM-LLVKDONJSA-N 0 0 179.263 2.679 10 0 AFAERN Cc1cc(C)c([C@@H](C)NO)cc1C 132016356 343892209 /nfs/dbraw/zinc/89/22/09/343892209.db2.gz JJECILBRGQHWNQ-SNVBAGLBSA-N 0 0 179.263 2.652 10 0 AFAERN CCc1ccc([C@H](CC)NO)cc1 132019634 343892295 /nfs/dbraw/zinc/89/22/95/343892295.db2.gz WRSNWNGOHBCSOM-NSHDSACASA-N 0 0 179.263 2.679 10 0 AFAERN Cc1cc(C)c([C@@H](C)NO)c(C)c1 131999518 343892350 /nfs/dbraw/zinc/89/23/50/343892350.db2.gz UXSQHDFRITXLTA-SNVBAGLBSA-N 0 0 179.263 2.652 10 0 AFAERN Cc1cc(C)c([C@H](C)NO)cc1C 132016567 343892398 /nfs/dbraw/zinc/89/23/98/343892398.db2.gz JJECILBRGQHWNQ-JTQLQIEISA-N 0 0 179.263 2.652 10 0 AFAERN CC1(C)CC[C@H](NO)c2ccccc21 132004080 343892401 /nfs/dbraw/zinc/89/24/01/343892401.db2.gz QJDBDALRTQGTRH-NSHDSACASA-N 0 0 191.274 2.778 10 0 AFAERN Cc1cc(C)c([C@H](C)NO)c(C)c1 131999725 343892411 /nfs/dbraw/zinc/89/24/11/343892411.db2.gz UXSQHDFRITXLTA-JTQLQIEISA-N 0 0 179.263 2.652 10 0 AFAERN CC1(C)CC[C@@H](NO)c2ccccc21 132004262 343892433 /nfs/dbraw/zinc/89/24/33/343892433.db2.gz QJDBDALRTQGTRH-LLVKDONJSA-N 0 0 191.274 2.778 10 0 AFAERN ONC1CC(c2cccc(Cl)c2)C1 132039255 343892643 /nfs/dbraw/zinc/89/26/43/343892643.db2.gz JLESKIIFMNGUJW-UHFFFAOYSA-N 0 0 197.665 2.565 10 0 AFAERN CC[C@@H](NO)c1cccc(Cl)c1 132050299 343893198 /nfs/dbraw/zinc/89/31/98/343893198.db2.gz PTJORIZLRIWVCV-SECBINFHSA-N 0 0 185.654 2.770 10 0 AFAERN Fc1ccccc1OCc1ccoc1 132074368 343893345 /nfs/dbraw/zinc/89/33/45/343893345.db2.gz OGLVBTZHGDMPEY-UHFFFAOYSA-N 0 0 192.189 2.998 10 0 AFAERN CC[C@H](NO)c1cccc(Cl)c1 132050123 343893424 /nfs/dbraw/zinc/89/34/24/343893424.db2.gz PTJORIZLRIWVCV-VIFPVBQESA-N 0 0 185.654 2.770 10 0 AFAERN CC(C)(C)C1CCC(NO)CC1 132048421 343893470 /nfs/dbraw/zinc/89/34/70/343893470.db2.gz AHQGQHKXHSSOTI-UHFFFAOYSA-N 0 0 171.284 2.570 10 0 AFAERN CC(C)c1nccn1Cc1ccoc1 132071205 343893488 /nfs/dbraw/zinc/89/34/88/343893488.db2.gz FYJTURNBDGYFSV-UHFFFAOYSA-N 0 0 190.246 2.648 10 0 AFAERN CC[C@H](NO)c1ccc(Cl)cc1 132083890 343893595 /nfs/dbraw/zinc/89/35/95/343893595.db2.gz ZEAOJEDBSBUEDV-VIFPVBQESA-N 0 0 185.654 2.770 10 0 AFAERN Cc1c([C@H](C)NO)oc2ccccc12 132095298 343893670 /nfs/dbraw/zinc/89/36/70/343893670.db2.gz KYBAPVVACDVABM-QMMMGPOBSA-N 0 0 191.230 2.781 10 0 AFAERN Fc1ccc(OCc2ccoc2)cc1 132075132 343893788 /nfs/dbraw/zinc/89/37/88/343893788.db2.gz CPMLRVYXPHUUGI-UHFFFAOYSA-N 0 0 192.189 2.998 10 0 AFAERN Cc1c([C@@H](C)NO)oc2ccccc12 132095098 343893822 /nfs/dbraw/zinc/89/38/22/343893822.db2.gz KYBAPVVACDVABM-MRVPVSSYSA-N 0 0 191.230 2.781 10 0 AFAERN Fc1cccc(OCc2ccoc2)c1 132075778 343893824 /nfs/dbraw/zinc/89/38/24/343893824.db2.gz CWYJAFYXFUUBNV-UHFFFAOYSA-N 0 0 192.189 2.998 10 0 AFAERN [NH3+]C[C@H](F)c1cc2cccc(F)c2o1 132108897 343894146 /nfs/dbraw/zinc/89/41/46/343894146.db2.gz BFVDIBKIULPPKS-QMMMGPOBSA-N 0 0 197.184 2.541 10 0 AFAERN Cc1cc(Cl)c(NN)cc1Cl 132108367 343894156 /nfs/dbraw/zinc/89/41/56/343894156.db2.gz VZJSQXWBGJSBOS-UHFFFAOYSA-N 0 0 191.061 2.587 10 0 AFAERN Cc1cccc2cc([C@@H](F)C[NH3+])oc12 132110097 343894186 /nfs/dbraw/zinc/89/41/86/343894186.db2.gz INKAPTOGWGGRKZ-VIFPVBQESA-N 0 0 193.221 2.711 10 0 AFAERN ON[C@@H](c1ccc(Cl)cc1)C1CC1 132117106 343894193 /nfs/dbraw/zinc/89/41/93/343894193.db2.gz FRVGYTCKHVDEST-SNVBAGLBSA-N 0 0 197.665 2.770 10 0 AFAERN CC(C)[C@H]1CCC[C@@H](NO)CC1 132102299 343894212 /nfs/dbraw/zinc/89/42/12/343894212.db2.gz PJLXOMQFNIKKLK-VHSXEESVSA-N 0 0 171.284 2.570 10 0 AFAERN CC(C)[C@@H]1CCC[C@@H](NO)CC1 132102176 343894220 /nfs/dbraw/zinc/89/42/20/343894220.db2.gz PJLXOMQFNIKKLK-NXEZZACHSA-N 0 0 171.284 2.570 10 0 AFAERN ON[C@H](c1ccc(Cl)cc1)C1CC1 132117295 343894238 /nfs/dbraw/zinc/89/42/38/343894238.db2.gz FRVGYTCKHVDEST-JTQLQIEISA-N 0 0 197.665 2.770 10 0 AFAERN Cc1cccc2cc([C@H](F)C[NH3+])oc12 132109904 343894266 /nfs/dbraw/zinc/89/42/66/343894266.db2.gz INKAPTOGWGGRKZ-SECBINFHSA-N 0 0 193.221 2.711 10 0 AFAERN [NH3+]C[C@@H](F)c1cc2cccc(F)c2o1 132108697 343894304 /nfs/dbraw/zinc/89/43/04/343894304.db2.gz BFVDIBKIULPPKS-MRVPVSSYSA-N 0 0 197.184 2.541 10 0 AFAERN ONC1CC(c2ccc(Cl)cc2)C1 132118321 343894318 /nfs/dbraw/zinc/89/43/18/343894318.db2.gz KSOHZNZUTMUKTB-UHFFFAOYSA-N 0 0 197.665 2.565 10 0 AFAERN CC(C)[C@@H]1CCC[C@H](NO)CC1 132101788 343894364 /nfs/dbraw/zinc/89/43/64/343894364.db2.gz PJLXOMQFNIKKLK-ZJUUUORDSA-N 0 0 171.284 2.570 10 0 AFAERN CC(C)[C@H]1CCC[C@H](NO)CC1 132101961 343894380 /nfs/dbraw/zinc/89/43/80/343894380.db2.gz PJLXOMQFNIKKLK-UWVGGRQHSA-N 0 0 171.284 2.570 10 0 AFAERN OCC1(Cc2ccoc2)CCCCC1 132130189 343894679 /nfs/dbraw/zinc/89/46/79/343894679.db2.gz ZIWALHGDQQWKDK-UHFFFAOYSA-N 0 0 194.274 2.765 10 0 AFAERN C[C@@H](NO)c1cc2c(s1)CCCC2 132139696 343894747 /nfs/dbraw/zinc/89/47/47/343894747.db2.gz ZVAOSTBHRIBLQX-SSDOTTSWSA-N 0 0 197.303 2.667 10 0 AFAERN C[C@H](NO)c1cc2c(s1)CCCC2 132139486 343894840 /nfs/dbraw/zinc/89/48/40/343894840.db2.gz ZVAOSTBHRIBLQX-ZETCQYMHSA-N 0 0 197.303 2.667 10 0 AFAERN C[C@H]1CC[C@@H](NO)c2ccccc21 132195961 343895527 /nfs/dbraw/zinc/89/55/27/343895527.db2.gz QTSITMSYTWXHBN-GZMMTYOYSA-N 0 0 177.247 2.604 10 0 AFAERN Cc1cc([C@@]2(O)C[C@@H]2C)ccc1Cl 132198734 343895543 /nfs/dbraw/zinc/89/55/43/343895543.db2.gz DVOKTPYPNBMGBS-GZMMTYOYSA-N 0 0 196.677 2.876 10 0 AFAERN C[C@@H]1CC[C@@H](NO)c2ccccc21 132195758 343895656 /nfs/dbraw/zinc/89/56/56/343895656.db2.gz QTSITMSYTWXHBN-LDYMZIIASA-N 0 0 177.247 2.604 10 0 AFAERN Cc1cc([C@]2(O)C[C@@H]2C)ccc1Cl 132198542 343895683 /nfs/dbraw/zinc/89/56/83/343895683.db2.gz DVOKTPYPNBMGBS-KWQFWETISA-N 0 0 196.677 2.876 10 0 AFAERN Cc1cc(C2(O)CC2)ccc1Cl 132198319 343895748 /nfs/dbraw/zinc/89/57/48/343895748.db2.gz IHGGLGMSQWUJMR-UHFFFAOYSA-N 0 0 182.650 2.630 10 0 AFAERN Cc1cc([C@]2(O)C[C@H]2C)ccc1Cl 132198908 343895754 /nfs/dbraw/zinc/89/57/54/343895754.db2.gz DVOKTPYPNBMGBS-KCJUWKMLSA-N 0 0 196.677 2.876 10 0 AFAERN CC(C)[C@H](C)Nc1ccc(CO)cc1 132335275 343896624 /nfs/dbraw/zinc/89/66/24/343896624.db2.gz VLNCFEQEXIDPPS-JTQLQIEISA-N 0 0 193.290 2.635 10 0 AFAERN Cc1cnccc1C(=O)CC(C)C 132339662 343896785 /nfs/dbraw/zinc/89/67/85/343896785.db2.gz ZSLHXMKCKTWWEY-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN O[C@@H]1CCCc2sc(Cl)cc21 132322580 343896983 /nfs/dbraw/zinc/89/69/83/343896983.db2.gz PTBRZARHYZKWBP-ZCFIWIBFSA-N 0 0 188.679 2.771 10 0 AFAERN O[C@H]1CCCc2sc(Cl)cc21 132322339 343897003 /nfs/dbraw/zinc/89/70/03/343897003.db2.gz PTBRZARHYZKWBP-LURJTMIESA-N 0 0 188.679 2.771 10 0 AFAERN OC[C@@H]1C[C@@H]1c1cccc(C(F)F)c1 132374113 343897342 /nfs/dbraw/zinc/89/73/42/343897342.db2.gz ZPBFMMHWJSJRBG-VHSXEESVSA-N 0 0 198.212 2.720 10 0 AFAERN OC[C@H]1C[C@@H]1c1cccc(C(F)F)c1 132373652 343897429 /nfs/dbraw/zinc/89/74/29/343897429.db2.gz ZPBFMMHWJSJRBG-NXEZZACHSA-N 0 0 198.212 2.720 10 0 AFAERN OC[C@H]1C[C@H]1c1cccc(C(F)F)c1 132373442 343897453 /nfs/dbraw/zinc/89/74/53/343897453.db2.gz ZPBFMMHWJSJRBG-ZJUUUORDSA-N 0 0 198.212 2.720 10 0 AFAERN OC[C@@H]1C[C@H]1c1cccc(C(F)F)c1 132373872 343897463 /nfs/dbraw/zinc/89/74/63/343897463.db2.gz ZPBFMMHWJSJRBG-UWVGGRQHSA-N 0 0 198.212 2.720 10 0 AFAERN Cc1cccc2ncc(C(C)C)n12 132415575 343898193 /nfs/dbraw/zinc/89/81/93/343898193.db2.gz MUSVGSVLXUPDHT-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN CC(C)c1cnc2n1CCC[C@H]2C 132419307 343898218 /nfs/dbraw/zinc/89/82/18/343898218.db2.gz WDBJYHJAQJMTNW-SECBINFHSA-N 0 0 178.279 2.904 10 0 AFAERN Nc1ccc(F)cc1NC1CC=CC1 132438171 343898337 /nfs/dbraw/zinc/89/83/37/343898337.db2.gz FSLOSUWJOBIUQQ-UHFFFAOYSA-N 0 0 192.237 2.538 10 0 AFAERN Cc1cccn2c(C(C)C)cnc12 132416446 343898495 /nfs/dbraw/zinc/89/84/95/343898495.db2.gz DHORSESLZGCSNK-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN Cc1c(N)cccc1NC1CC=CC1 132430817 343898577 /nfs/dbraw/zinc/89/85/77/343898577.db2.gz STQTYEXNICDQHN-UHFFFAOYSA-N 0 0 188.274 2.708 10 0 AFAERN CC(C)c1cnc2n1CCC[C@@H]2C 132419421 343898583 /nfs/dbraw/zinc/89/85/83/343898583.db2.gz WDBJYHJAQJMTNW-VIFPVBQESA-N 0 0 178.279 2.904 10 0 AFAERN Cc1ccn2c(C(C)C)cnc2c1 132416238 343898600 /nfs/dbraw/zinc/89/86/00/343898600.db2.gz BCLAMIYAPFXIAW-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN Cc1ccc(N)cc1NC1CC=CC1 132448296 343899041 /nfs/dbraw/zinc/89/90/41/343899041.db2.gz PKHVNTYDMLNGSK-UHFFFAOYSA-N 0 0 188.274 2.708 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)[C@H](C)CN2 132539049 343900083 /nfs/dbraw/zinc/90/00/83/343900083.db2.gz LQBNFBOMCMZIQT-ZJUUUORDSA-N 0 0 190.290 2.857 10 0 AFAERN Cc1cnc(-c2cccnc2)s1 132532883 343900293 /nfs/dbraw/zinc/90/02/93/343900293.db2.gz QQDCPLBDXZZNKI-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)[C@H](C)CN2 132538863 343900320 /nfs/dbraw/zinc/90/03/20/343900320.db2.gz LQBNFBOMCMZIQT-NXEZZACHSA-N 0 0 190.290 2.857 10 0 AFAERN Cc1occc1-c1nccc(Cl)n1 132532021 343900394 /nfs/dbraw/zinc/90/03/94/343900394.db2.gz HLHHZUDZASUKHD-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)[C@@H](C)CN2 132539217 343900400 /nfs/dbraw/zinc/90/04/00/343900400.db2.gz LQBNFBOMCMZIQT-VHSXEESVSA-N 0 0 190.290 2.857 10 0 AFAERN Cc1cnc(C(=O)CC(C)C)c(C)c1 132606735 343901319 /nfs/dbraw/zinc/90/13/19/343901319.db2.gz IQXYWFHKWGDZDM-UHFFFAOYSA-N 0 0 191.274 2.927 10 0 AFAERN CC(C)CNc1cccc(Cl)c1N 132667155 343902584 /nfs/dbraw/zinc/90/25/84/343902584.db2.gz FQEMPUFKQZTXGQ-UHFFFAOYSA-N 0 0 198.697 2.990 10 0 AFAERN COC(=O)c1cscc1C1(C)CC1 132718093 343903019 /nfs/dbraw/zinc/90/30/19/343903019.db2.gz OKOHOPGJNTWTDE-UHFFFAOYSA-N 0 0 196.271 2.586 10 0 AFAERN COC(=O)c1cscc1C(C)C 132719067 343903213 /nfs/dbraw/zinc/90/32/13/343903213.db2.gz HELVMKYGOJKQJR-UHFFFAOYSA-N 0 0 184.260 2.658 10 0 AFAERN CC[C@H](C)C(=O)c1ccncc1C 132790289 343904155 /nfs/dbraw/zinc/90/41/55/343904155.db2.gz QQIBKNYZPMYKGX-QMMMGPOBSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1cnccc1C(=O)C(C)(C)C 132789378 343904246 /nfs/dbraw/zinc/90/42/46/343904246.db2.gz ZZPYBQIISOZRGB-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN CC[C@@H](C)C(=O)c1ccncc1C 132790062 343904372 /nfs/dbraw/zinc/90/43/72/343904372.db2.gz QQIBKNYZPMYKGX-MRVPVSSYSA-N 0 0 177.247 2.619 10 0 AFAERN CCc1cnccc1C(=O)C(C)(C)C 132808636 343904820 /nfs/dbraw/zinc/90/48/20/343904820.db2.gz CLXDDHCMRHXMSN-UHFFFAOYSA-N 0 0 191.274 2.873 10 0 AFAERN Cc1cnccc1[C@@H](O)C1CCCC1 132821880 343905267 /nfs/dbraw/zinc/90/52/67/343905267.db2.gz LZOMCSXXAIGGHZ-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN CCc1cnccc1[C@@H](O)C(C)(C)C 132875645 343906745 /nfs/dbraw/zinc/90/67/45/343906745.db2.gz NZBCTFLVQWGJPY-LLVKDONJSA-N 0 0 193.290 2.724 10 0 AFAERN CCc1cnccc1[C@H](O)C(C)(C)C 132875407 343906834 /nfs/dbraw/zinc/90/68/34/343906834.db2.gz NZBCTFLVQWGJPY-NSHDSACASA-N 0 0 193.290 2.724 10 0 AFAERN CC1(C)CCc2scc(N)c21 132974460 343908671 /nfs/dbraw/zinc/90/86/71/343908671.db2.gz UHALLHSOJAYFPQ-UHFFFAOYSA-N 0 0 167.277 2.554 10 0 AFAERN C[C@@H]1CCCc2scc(N)c21 132966384 343908721 /nfs/dbraw/zinc/90/87/21/343908721.db2.gz XNNPPYMJVLHXCW-ZCFIWIBFSA-N 0 0 167.277 2.770 10 0 AFAERN C[C@H]1CCCc2scc(N)c21 132966608 343908748 /nfs/dbraw/zinc/90/87/48/343908748.db2.gz XNNPPYMJVLHXCW-LURJTMIESA-N 0 0 167.277 2.770 10 0 AFAERN CON[C@H](C)c1cc(C)sc1C 132971809 343908781 /nfs/dbraw/zinc/90/87/81/343908781.db2.gz VKAPAZPQRRKWKI-SSDOTTSWSA-N 0 0 185.292 2.577 10 0 AFAERN CC[C@H]1CCc2scc(N)c21 132965302 343908785 /nfs/dbraw/zinc/90/87/85/343908785.db2.gz XKSJBTFSZBRAGY-LURJTMIESA-N 0 0 167.277 2.770 10 0 AFAERN CON[C@@H](C)c1cc(C)sc1C 132971985 343908803 /nfs/dbraw/zinc/90/88/03/343908803.db2.gz VKAPAZPQRRKWKI-ZETCQYMHSA-N 0 0 185.292 2.577 10 0 AFAERN Cc1scc(N)c1C1CC1 132970648 343908824 /nfs/dbraw/zinc/90/88/24/343908824.db2.gz ZQLRKQLCFYPNDR-UHFFFAOYSA-N 0 0 153.250 2.516 10 0 AFAERN CCCc1c(N)csc1CC 132974685 343908921 /nfs/dbraw/zinc/90/89/21/343908921.db2.gz DWQUQTUKNRVZCK-UHFFFAOYSA-N 0 0 169.293 2.845 10 0 AFAERN CC[C@@H]1CCc2scc(N)c21 132965093 343908957 /nfs/dbraw/zinc/90/89/57/343908957.db2.gz XKSJBTFSZBRAGY-ZCFIWIBFSA-N 0 0 167.277 2.770 10 0 AFAERN CC1(C)CCc2c(N)csc2C1 132970866 343908987 /nfs/dbraw/zinc/90/89/87/343908987.db2.gz BGDJYHRWQWSKQZ-UHFFFAOYSA-N 0 0 181.304 2.845 10 0 AFAERN CC1(C)CCCc2scc(N)c21 132964914 343909034 /nfs/dbraw/zinc/90/90/34/343909034.db2.gz OTQFMMIPIWJMST-UHFFFAOYSA-N 0 0 181.304 2.944 10 0 AFAERN Nc1csc2c1CCCCCC2 132965549 343909043 /nfs/dbraw/zinc/90/90/43/343909043.db2.gz WCKDFXROPGGTHE-UHFFFAOYSA-N 0 0 181.304 2.989 10 0 AFAERN Nc1c(C2CC2)csc1Cl 132988037 343909194 /nfs/dbraw/zinc/90/91/94/343909194.db2.gz MVUWRQQVAPSPMY-UHFFFAOYSA-N 0 0 173.668 2.861 10 0 AFAERN CCc1c(C)sc(Cl)c1N 132991607 343909268 /nfs/dbraw/zinc/90/92/68/343909268.db2.gz KGZKMKJNGOAEQS-UHFFFAOYSA-N 0 0 175.684 2.855 10 0 AFAERN CC[C@@H]1CCc2c(N)csc2C1 132976850 343909299 /nfs/dbraw/zinc/90/92/99/343909299.db2.gz LQHVHCPMDSDQCU-SSDOTTSWSA-N 0 0 181.304 2.845 10 0 AFAERN Nc1csc2c1CCCCC2 132980756 343909388 /nfs/dbraw/zinc/90/93/88/343909388.db2.gz GXIGZEYYZFPFML-UHFFFAOYSA-N 0 0 167.277 2.599 10 0 AFAERN Nc1c(Cl)sc2c1CCCC2 132990748 343909395 /nfs/dbraw/zinc/90/93/95/343909395.db2.gz YMBMVYSPDSXESM-UHFFFAOYSA-N 0 0 187.695 2.863 10 0 AFAERN CC[C@H]1CCc2c(N)csc2C1 132977040 343909436 /nfs/dbraw/zinc/90/94/36/343909436.db2.gz LQHVHCPMDSDQCU-ZETCQYMHSA-N 0 0 181.304 2.845 10 0 AFAERN CCc1cc(N)c(Cl)s1 132986268 343909482 /nfs/dbraw/zinc/90/94/82/343909482.db2.gz KHQCJVRDJIZSQG-UHFFFAOYSA-N 0 0 161.657 2.546 10 0 AFAERN CC(C)(C)c1cscc1N 132980576 343909494 /nfs/dbraw/zinc/90/94/94/343909494.db2.gz ZFUNYSMFHFZRDA-UHFFFAOYSA-N 0 0 155.266 2.628 10 0 AFAERN Cc1sc(Cl)c(N)c1C 132985820 343909523 /nfs/dbraw/zinc/90/95/23/343909523.db2.gz UTTPQGLNPVOXHY-UHFFFAOYSA-N 0 0 161.657 2.601 10 0 AFAERN CC1(C)OC(C)(C)c2c(N)csc21 132981189 343909527 /nfs/dbraw/zinc/90/95/27/343909527.db2.gz UXROLICVHYNHQH-UHFFFAOYSA-N 0 0 197.303 2.831 10 0 AFAERN C[C@@H]1OCc2sc(Cl)c(N)c21 132994266 343909705 /nfs/dbraw/zinc/90/97/05/343909705.db2.gz NFGJDYJUTTWZHQ-VKHMYHEASA-N 0 0 189.667 2.575 10 0 AFAERN CCCc1cc(N)c(Cl)s1 132992028 343909740 /nfs/dbraw/zinc/90/97/40/343909740.db2.gz QCGSTMBLWKNPGP-UHFFFAOYSA-N 0 0 175.684 2.936 10 0 AFAERN C[C@H]1OCc2sc(Cl)c(N)c21 132994071 343910025 /nfs/dbraw/zinc/91/00/25/343910025.db2.gz NFGJDYJUTTWZHQ-GSVOUGTGSA-N 0 0 189.667 2.575 10 0 AFAERN CCc1sc(Cl)c(N)c1C 133003210 343910029 /nfs/dbraw/zinc/91/00/29/343910029.db2.gz ZNGLRTHGPCTBGB-UHFFFAOYSA-N 0 0 175.684 2.855 10 0 AFAERN CCONC1CCCCCCC1 133084517 343912253 /nfs/dbraw/zinc/91/22/53/343912253.db2.gz BAEBYLCSCTZLEW-UHFFFAOYSA-N 0 0 171.284 2.640 10 0 AFAERN Cc1cc(N[C@H](C)C(C)(C)C)ncn1 133147356 343912849 /nfs/dbraw/zinc/91/28/49/343912849.db2.gz TVEUBHSTCWUTSP-SECBINFHSA-N 0 0 193.294 2.632 10 0 AFAERN COc1cc(NCC(C)(C)C)ccn1 133179678 343912853 /nfs/dbraw/zinc/91/28/53/343912853.db2.gz QTVNPIAANFRRIN-UHFFFAOYSA-N 0 0 194.278 2.548 10 0 AFAERN Cc1cc(N[C@@H](C)C(C)(C)C)ncn1 133147128 343912883 /nfs/dbraw/zinc/91/28/83/343912883.db2.gz TVEUBHSTCWUTSP-VIFPVBQESA-N 0 0 193.294 2.632 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](C)C[C@H]2O 133455682 343919161 /nfs/dbraw/zinc/91/91/61/343919161.db2.gz NTZPCLQMQYYWRH-GZMMTYOYSA-N 0 0 176.259 2.844 10 0 AFAERN Cc1cnc(Cl)cc1OCC1CC1 133462476 343919218 /nfs/dbraw/zinc/91/92/18/343919218.db2.gz OKEHFEILAXPGSU-UHFFFAOYSA-N 0 0 197.665 2.832 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](C)C[C@@H]2O 133455085 343919221 /nfs/dbraw/zinc/91/92/21/343919221.db2.gz NTZPCLQMQYYWRH-KCJUWKMLSA-N 0 0 176.259 2.844 10 0 AFAERN Cc1cnc(Cl)cc1OC(C)C 133458598 343919239 /nfs/dbraw/zinc/91/92/39/343919239.db2.gz YLPCABMHLOXRNC-UHFFFAOYSA-N 0 0 185.654 2.831 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](C)C[C@H]2O 133455467 343919325 /nfs/dbraw/zinc/91/93/25/343919325.db2.gz NTZPCLQMQYYWRH-LDYMZIIASA-N 0 0 176.259 2.844 10 0 AFAERN CCCOc1cc(Cl)ncc1C 133470016 343919380 /nfs/dbraw/zinc/91/93/80/343919380.db2.gz KNPQCMRBHWERAD-UHFFFAOYSA-N 0 0 185.654 2.832 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](C)C[C@@H]2O 133455274 343919386 /nfs/dbraw/zinc/91/93/86/343919386.db2.gz NTZPCLQMQYYWRH-KWQFWETISA-N 0 0 176.259 2.844 10 0 AFAERN Cc1cnc(Cl)cc1OC1CCC1 133501840 343920356 /nfs/dbraw/zinc/92/03/56/343920356.db2.gz INTURJUGKIMKGM-UHFFFAOYSA-N 0 0 197.665 2.975 10 0 AFAERN C[C@H](CNc1ccnc(F)c1)C1CC1 133554518 343922182 /nfs/dbraw/zinc/92/21/82/343922182.db2.gz ZZCMRFFICXPLOT-MRVPVSSYSA-N 0 0 194.253 2.679 10 0 AFAERN C[C@@H](CNc1ccnc(F)c1)C1CC1 133554350 343922198 /nfs/dbraw/zinc/92/21/98/343922198.db2.gz ZZCMRFFICXPLOT-QMMMGPOBSA-N 0 0 194.253 2.679 10 0 AFAERN C[C@H](Cn1cccc1)C1CC1 133586174 343922743 /nfs/dbraw/zinc/92/27/43/343922743.db2.gz JTNXBLXADMGEAQ-SECBINFHSA-N 0 0 149.237 2.534 10 0 AFAERN C[C@H](Nc1ccccn1)C(C)(C)C 133661618 343923783 /nfs/dbraw/zinc/92/37/83/343923783.db2.gz HWZSFJHHZLVEAL-VIFPVBQESA-N 0 0 178.279 2.928 10 0 AFAERN C[C@@H](Nc1ccccn1)C(C)(C)C 133661839 343923934 /nfs/dbraw/zinc/92/39/34/343923934.db2.gz HWZSFJHHZLVEAL-SECBINFHSA-N 0 0 178.279 2.928 10 0 AFAERN Cc1ccc2c(c1)S[C@@H](C)CN2 133667898 343924154 /nfs/dbraw/zinc/92/41/54/343924154.db2.gz IGKCYDILRCXASG-QMMMGPOBSA-N 0 0 179.288 2.901 10 0 AFAERN Cc1cnccc1C(=O)c1ccccc1 133672397 343924255 /nfs/dbraw/zinc/92/42/55/343924255.db2.gz MUWTVEKBPAJMSI-UHFFFAOYSA-N 0 0 197.237 2.621 10 0 AFAERN CON[C@H]1CCCCc2ccccc21 133733023 343925578 /nfs/dbraw/zinc/92/55/78/343925578.db2.gz KFULYMQLIHHMGQ-LBPRGKRZSA-N 0 0 191.274 2.605 10 0 AFAERN CSc1cc(Cl)ncc1C 133750562 343926354 /nfs/dbraw/zinc/92/63/54/343926354.db2.gz SWCFLXAUJMAOIW-UHFFFAOYSA-N 0 0 173.668 2.765 10 0 AFAERN Cc1nsc(N[C@@H](C)C(C)(C)C)n1 133861965 343928605 /nfs/dbraw/zinc/92/86/05/343928605.db2.gz QDAWWOVIVNRPCD-LURJTMIESA-N 0 0 199.323 2.693 10 0 AFAERN COC(=O)/C=C1/C[C@@H](C)CC(C)(C)C1 133871072 343928722 /nfs/dbraw/zinc/92/87/22/343928722.db2.gz YFWYGTXUPSDZQG-WPVMNKCKSA-N 0 0 196.290 2.932 10 0 AFAERN CSc1ccc(N)c(OC(C)C)c1 133876415 343928791 /nfs/dbraw/zinc/92/87/91/343928791.db2.gz XBQBNSVDVFOQIW-UHFFFAOYSA-N 0 0 197.303 2.778 10 0 AFAERN Cc1nsc(N[C@H](C)C(C)(C)C)n1 133862156 343928804 /nfs/dbraw/zinc/92/88/04/343928804.db2.gz QDAWWOVIVNRPCD-ZCFIWIBFSA-N 0 0 199.323 2.693 10 0 AFAERN COC(=O)/C=C/C1CCCCCC1 133877147 343928806 /nfs/dbraw/zinc/92/88/06/343928806.db2.gz DDDUXCKXRCIZAM-CMDGGOBGSA-N 0 0 182.263 2.686 10 0 AFAERN COC(=O)/C=C1/C[C@H](C)CC[C@H]1C 133866127 343928807 /nfs/dbraw/zinc/92/88/07/343928807.db2.gz WQVVQGJYIZHYJK-NLSNDTQJSA-N 0 0 182.263 2.542 10 0 AFAERN CON[C@H](C)c1c(C)cc(C)cc1C 133892770 343929255 /nfs/dbraw/zinc/92/92/55/343929255.db2.gz BAHSWCKBEAJTJN-LLVKDONJSA-N 0 0 193.290 2.824 10 0 AFAERN CON[C@@H](C)c1c(C)cc(C)cc1C 133892961 343929274 /nfs/dbraw/zinc/92/92/74/343929274.db2.gz BAHSWCKBEAJTJN-NSHDSACASA-N 0 0 193.290 2.824 10 0 AFAERN Cc1cc(N)c2c(c1)CCC(C)(C)O2 133968447 343930473 /nfs/dbraw/zinc/93/04/73/343930473.db2.gz POVLODYDLRWTGM-UHFFFAOYSA-N 0 0 191.274 2.681 10 0 AFAERN CC1(C)Cc2cc(N)cc(Cl)c2O1 133966355 343930607 /nfs/dbraw/zinc/93/06/07/343930607.db2.gz UUMWHKQOGSNLMT-UHFFFAOYSA-N 0 0 197.665 2.636 10 0 AFAERN Cc1cc(N)cc2c1OC(C)(C)CC2 133967826 343930671 /nfs/dbraw/zinc/93/06/71/343930671.db2.gz GSGYKJICXOGIOU-UHFFFAOYSA-N 0 0 191.274 2.681 10 0 AFAERN c1ccc2c(c1)C[C@@H]2c1nccs1 134021472 343931511 /nfs/dbraw/zinc/93/15/11/343931511.db2.gz ZTBQMOSSSANQHA-JTQLQIEISA-N 0 0 187.267 2.831 10 0 AFAERN c1ccc2c(c1)C[C@H]2c1nccs1 134021693 343931815 /nfs/dbraw/zinc/93/18/15/343931815.db2.gz ZTBQMOSSSANQHA-SNVBAGLBSA-N 0 0 187.267 2.831 10 0 AFAERN C[C@H](O)CCSCc1ccccc1 134072517 343932832 /nfs/dbraw/zinc/93/28/32/343932832.db2.gz QNLMCPIIUNMSQO-JTQLQIEISA-N 0 0 196.315 2.691 10 0 AFAERN C[C@@H](Nc1ccccn1)C1(C)CC1 134155184 343935151 /nfs/dbraw/zinc/93/51/51/343935151.db2.gz SEXNQFMCROYXRZ-SECBINFHSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@H](Nc1ccccn1)C1(C)CC1 134154998 343935203 /nfs/dbraw/zinc/93/52/03/343935203.db2.gz SEXNQFMCROYXRZ-VIFPVBQESA-N 0 0 176.263 2.682 10 0 AFAERN CCc1nc2cc(Cl)c(N)cc2o1 134178849 343935759 /nfs/dbraw/zinc/93/57/59/343935759.db2.gz LJFDKIUZYZJWRM-UHFFFAOYSA-N 0 0 196.637 2.626 10 0 AFAERN CON[C@H]1CCCC[C@H]1C(C)(C)C 134229707 343937215 /nfs/dbraw/zinc/93/72/15/343937215.db2.gz ZBNSZJNEKSZLDX-ZJUUUORDSA-N 0 0 185.311 2.742 10 0 AFAERN CON[C@@H]1CCCC[C@H]1C(C)(C)C 134229753 343937290 /nfs/dbraw/zinc/93/72/90/343937290.db2.gz ZBNSZJNEKSZLDX-NXEZZACHSA-N 0 0 185.311 2.742 10 0 AFAERN CON[C@H]1CCC[C@@H](C(C)C)CC1 134238195 343937324 /nfs/dbraw/zinc/93/73/24/343937324.db2.gz KGGSXVXHVIKUKT-MNOVXSKESA-N 0 0 185.311 2.742 10 0 AFAERN CONC1CCC(C(C)(C)C)CC1 134234898 343937318 /nfs/dbraw/zinc/93/73/18/343937318.db2.gz SVDDRHMBYAMORV-UHFFFAOYSA-N 0 0 185.311 2.742 10 0 AFAERN CON[C@H]1CCCC[C@@H]1C(C)(C)C 134229730 343937349 /nfs/dbraw/zinc/93/73/49/343937349.db2.gz ZBNSZJNEKSZLDX-UWVGGRQHSA-N 0 0 185.311 2.742 10 0 AFAERN CON[C@H](C)c1cc(C)cc(C)c1 134229411 343937378 /nfs/dbraw/zinc/93/73/78/343937378.db2.gz HSXARBJINMAVCD-SNVBAGLBSA-N 0 0 179.263 2.515 10 0 AFAERN CON[C@@H]1CCCC[C@@H]1C(C)(C)C 134229771 343937397 /nfs/dbraw/zinc/93/73/97/343937397.db2.gz ZBNSZJNEKSZLDX-VHSXEESVSA-N 0 0 185.311 2.742 10 0 AFAERN CON[C@H](C)c1cc(C)c(C)cc1C 134233076 343937462 /nfs/dbraw/zinc/93/74/62/343937462.db2.gz TXGFLLKWUBQLPP-LLVKDONJSA-N 0 0 193.290 2.824 10 0 AFAERN CON[C@@H](C)c1cc(C)cc(C)c1 134229436 343937475 /nfs/dbraw/zinc/93/74/75/343937475.db2.gz HSXARBJINMAVCD-JTQLQIEISA-N 0 0 179.263 2.515 10 0 AFAERN CON[C@@H](C)c1cc(C)c(C)cc1C 134233099 343937478 /nfs/dbraw/zinc/93/74/78/343937478.db2.gz TXGFLLKWUBQLPP-NSHDSACASA-N 0 0 193.290 2.824 10 0 AFAERN CON[C@H]1CCC[C@H](C(C)C)CC1 134238214 343937882 /nfs/dbraw/zinc/93/78/82/343937882.db2.gz KGGSXVXHVIKUKT-QWRGUYRKSA-N 0 0 185.311 2.742 10 0 AFAERN CON[C@H](C)c1ccc(C)c(C)c1 134241151 343937723 /nfs/dbraw/zinc/93/77/23/343937723.db2.gz BIEJGXPRPWAHSI-SNVBAGLBSA-N 0 0 179.263 2.515 10 0 AFAERN CON[C@@H]1CC[C@H](C)c2ccccc21 134244352 343937740 /nfs/dbraw/zinc/93/77/40/343937740.db2.gz QQUSEOQUOGFWQJ-JOYOIKCWSA-N 0 0 191.274 2.776 10 0 AFAERN CCON[C@H]1C[C@@H](C)CC(C)(C)C1 134260475 343937745 /nfs/dbraw/zinc/93/77/45/343937745.db2.gz OZZPBNPECWDWSV-ZJUUUORDSA-N 0 0 185.311 2.742 10 0 AFAERN CCON[C@@H]1C[C@@H](C)CC(C)(C)C1 134260455 343937775 /nfs/dbraw/zinc/93/77/75/343937775.db2.gz OZZPBNPECWDWSV-NXEZZACHSA-N 0 0 185.311 2.742 10 0 AFAERN CON[C@@H]1CCC[C@H](C(C)C)CC1 134238249 343937780 /nfs/dbraw/zinc/93/77/80/343937780.db2.gz KGGSXVXHVIKUKT-WDEREUQCSA-N 0 0 185.311 2.742 10 0 AFAERN CCON[C@H]1CCCc2sccc21 134257695 343937783 /nfs/dbraw/zinc/93/77/83/343937783.db2.gz NZBUWVIZXLEJCT-VIFPVBQESA-N 0 0 197.303 2.667 10 0 AFAERN CON[C@@H]1CC[C@@H](C)c2ccccc21 134244331 343937876 /nfs/dbraw/zinc/93/78/76/343937876.db2.gz QQUSEOQUOGFWQJ-BXKDBHETSA-N 0 0 191.274 2.776 10 0 AFAERN CON[C@H]1CC[C@H](C)c2ccccc21 134244319 343937918 /nfs/dbraw/zinc/93/79/18/343937918.db2.gz QQUSEOQUOGFWQJ-CABZTGNLSA-N 0 0 191.274 2.776 10 0 AFAERN CCON[C@@H]1CC[C@H]2CCCC[C@@H]2C1 134254961 343937919 /nfs/dbraw/zinc/93/79/19/343937919.db2.gz WMNDLVFUFWJZLG-IJLUTSLNSA-N 0 0 197.322 2.886 10 0 AFAERN CCON[C@@H]1C[C@H](C)CC(C)(C)C1 134260411 343937960 /nfs/dbraw/zinc/93/79/60/343937960.db2.gz OZZPBNPECWDWSV-VHSXEESVSA-N 0 0 185.311 2.742 10 0 AFAERN CON[C@@H]1CCC[C@@H](C(C)C)CC1 134238233 343937965 /nfs/dbraw/zinc/93/79/65/343937965.db2.gz KGGSXVXHVIKUKT-GHMZBOCLSA-N 0 0 185.311 2.742 10 0 AFAERN C[C@@H](NOCc1ccccc1)C1CC1 134263574 343937967 /nfs/dbraw/zinc/93/79/67/343937967.db2.gz HNBLJDVCRSAZJE-SNVBAGLBSA-N 0 0 191.274 2.506 10 0 AFAERN C[C@H](NOCc1ccccc1)C1CC1 134263552 343937971 /nfs/dbraw/zinc/93/79/71/343937971.db2.gz HNBLJDVCRSAZJE-JTQLQIEISA-N 0 0 191.274 2.506 10 0 AFAERN CCON[C@H]1C[C@H](C)CC(C)(C)C1 134260433 343937986 /nfs/dbraw/zinc/93/79/86/343937986.db2.gz OZZPBNPECWDWSV-UWVGGRQHSA-N 0 0 185.311 2.742 10 0 AFAERN CCON[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 134254925 343937991 /nfs/dbraw/zinc/93/79/91/343937991.db2.gz WMNDLVFUFWJZLG-QJPTWQEYSA-N 0 0 197.322 2.886 10 0 AFAERN CCON[C@@H]1CCc2ccc(C)cc21 134245177 343938002 /nfs/dbraw/zinc/93/80/02/343938002.db2.gz JVWZHWWJKGMOPH-GFCCVEGCSA-N 0 0 191.274 2.523 10 0 AFAERN CCON[C@@H]1CCCc2sccc21 134257677 343938096 /nfs/dbraw/zinc/93/80/96/343938096.db2.gz NZBUWVIZXLEJCT-SECBINFHSA-N 0 0 197.303 2.667 10 0 AFAERN CCON[C@@H]1CCCC(C)(C)CC1 134250663 343938109 /nfs/dbraw/zinc/93/81/09/343938109.db2.gz OXQLZDUEVGMERF-SNVBAGLBSA-N 0 0 185.311 2.886 10 0 AFAERN CON[C@@H](C)c1ccc(C)c(C)c1 134241175 343938112 /nfs/dbraw/zinc/93/81/12/343938112.db2.gz BIEJGXPRPWAHSI-JTQLQIEISA-N 0 0 179.263 2.515 10 0 AFAERN CCON[C@H]1CCc2ccc(C)cc21 134245198 343938131 /nfs/dbraw/zinc/93/81/31/343938131.db2.gz JVWZHWWJKGMOPH-LBPRGKRZSA-N 0 0 191.274 2.523 10 0 AFAERN Cc1cscc1N[C@@H]1CCSC1 134326298 343939707 /nfs/dbraw/zinc/93/97/07/343939707.db2.gz AVVLRQSMPNQTCL-MRVPVSSYSA-N 0 0 199.344 2.974 10 0 AFAERN Cc1cscc1NC(C)C 134327930 343939551 /nfs/dbraw/zinc/93/95/51/343939551.db2.gz CBKSAFPRNXUXHS-UHFFFAOYSA-N 0 0 155.266 2.877 10 0 AFAERN Cc1cscc1N[C@H]1CCO[C@@H]1C 134327599 343939618 /nfs/dbraw/zinc/93/96/18/343939618.db2.gz KEGQCOVCAHZVRB-BDAKNGLRSA-N 0 0 197.303 2.646 10 0 AFAERN C[C@@]1(CC2CCCCC2)CCC(=O)N1 134326809 343939769 /nfs/dbraw/zinc/93/97/69/343939769.db2.gz XZHMFRDDXVCGTB-LBPRGKRZSA-N 0 0 195.306 2.626 10 0 AFAERN Cc1cscc1N[C@@H]1CCO[C@H]1C 134327621 343939772 /nfs/dbraw/zinc/93/97/72/343939772.db2.gz KEGQCOVCAHZVRB-DTWKUNHWSA-N 0 0 197.303 2.646 10 0 AFAERN Cc1cscc1N[C@H]1CCSC1 134326325 343939798 /nfs/dbraw/zinc/93/97/98/343939798.db2.gz AVVLRQSMPNQTCL-QMMMGPOBSA-N 0 0 199.344 2.974 10 0 AFAERN Cc1cscc1N[C@H]1CCO[C@H]1C 134327646 343939810 /nfs/dbraw/zinc/93/98/10/343939810.db2.gz KEGQCOVCAHZVRB-IUCAKERBSA-N 0 0 197.303 2.646 10 0 AFAERN Cc1cscc1N[C@H]1CCCOC1 134330071 343940053 /nfs/dbraw/zinc/94/00/53/343940053.db2.gz HUBDXWONRFPRHE-VIFPVBQESA-N 0 0 197.303 2.647 10 0 AFAERN Cc1cscc1N[C@@H]1CCCOC1 134330055 343940130 /nfs/dbraw/zinc/94/01/30/343940130.db2.gz HUBDXWONRFPRHE-SECBINFHSA-N 0 0 197.303 2.647 10 0 AFAERN CC(C)[C@]1(CC(C)(C)C)CCC(=O)N1 134337275 343940146 /nfs/dbraw/zinc/94/01/46/343940146.db2.gz SDPSRQNNHPDCBI-GFCCVEGCSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1cscc1NC1CCOCC1 134329359 343940156 /nfs/dbraw/zinc/94/01/56/343940156.db2.gz QIICCHKTSHTOQA-UHFFFAOYSA-N 0 0 197.303 2.647 10 0 AFAERN CC[C@]1(CC2CCCC2)CCC(=O)N1 134336118 343940219 /nfs/dbraw/zinc/94/02/19/343940219.db2.gz ZDQGBWOPSCXMFZ-GFCCVEGCSA-N 0 0 195.306 2.626 10 0 AFAERN CC(C)[C@@]1(CC(C)(C)C)CCC(=O)N1 134337295 343940302 /nfs/dbraw/zinc/94/03/02/343940302.db2.gz SDPSRQNNHPDCBI-LBPRGKRZSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1cncc(N[C@H](C)C2CC2)c1 134339586 343940303 /nfs/dbraw/zinc/94/03/03/343940303.db2.gz DHFOTNUNQJOLRI-SECBINFHSA-N 0 0 176.263 2.600 10 0 AFAERN CCC[C@H](C)Nc1cncc(C)c1 134340223 343940550 /nfs/dbraw/zinc/94/05/50/343940550.db2.gz ZJAFFQNLGKCBLK-JTQLQIEISA-N 0 0 178.279 2.991 10 0 AFAERN CCC[C@@H](C)Nc1cncc(C)c1 134340202 343940600 /nfs/dbraw/zinc/94/06/00/343940600.db2.gz ZJAFFQNLGKCBLK-SNVBAGLBSA-N 0 0 178.279 2.991 10 0 AFAERN CC[C@H](C)Nc1cncc(C)c1 134340626 343940780 /nfs/dbraw/zinc/94/07/80/343940780.db2.gz MBKIDKDNDPZYCZ-VIFPVBQESA-N 0 0 164.252 2.600 10 0 AFAERN CC[C@@H](C)Nc1cncc(C)c1 134340608 343940674 /nfs/dbraw/zinc/94/06/74/343940674.db2.gz MBKIDKDNDPZYCZ-SECBINFHSA-N 0 0 164.252 2.600 10 0 AFAERN F[C@H]1C[C@H]1c1ccccc1 135959000 343972367 /nfs/dbraw/zinc/97/23/67/343972367.db2.gz JOEQACXXKPWIAT-IUCAKERBSA-N 0 0 136.169 2.512 10 0 AFAERN C[C@@H]1CCC[C@@H](NOC(C)(C)C)C1 134484975 343943617 /nfs/dbraw/zinc/94/36/17/343943617.db2.gz WQGNKASWJWEBIP-NXEZZACHSA-N 0 0 185.311 2.885 10 0 AFAERN CC1(C)CC[C@@H](NOC(C)(C)C)C1 134484478 343943651 /nfs/dbraw/zinc/94/36/51/343943651.db2.gz TYTYLQAHQZYYNJ-SECBINFHSA-N 0 0 185.311 2.885 10 0 AFAERN CC(C)(C)ON[C@H]1CCCC1(C)C 134484331 343943667 /nfs/dbraw/zinc/94/36/67/343943667.db2.gz VCTSLKXRQCISNA-VIFPVBQESA-N 0 0 185.311 2.885 10 0 AFAERN CC(C)(C)ON[C@@H]1CCCC1(C)C 134484348 343943736 /nfs/dbraw/zinc/94/37/36/343943736.db2.gz VCTSLKXRQCISNA-SECBINFHSA-N 0 0 185.311 2.885 10 0 AFAERN C[C@H]1CCC[C@@H](NOC(C)(C)C)C1 134484996 343943766 /nfs/dbraw/zinc/94/37/66/343943766.db2.gz WQGNKASWJWEBIP-VHSXEESVSA-N 0 0 185.311 2.885 10 0 AFAERN C[C@H]1CCC[C@H](NOC(C)(C)C)C1 134484957 343943774 /nfs/dbraw/zinc/94/37/74/343943774.db2.gz WQGNKASWJWEBIP-UWVGGRQHSA-N 0 0 185.311 2.885 10 0 AFAERN C[C@@H]1CCC[C@H](NOC(C)(C)C)C1 134484940 343943816 /nfs/dbraw/zinc/94/38/16/343943816.db2.gz WQGNKASWJWEBIP-ZJUUUORDSA-N 0 0 185.311 2.885 10 0 AFAERN CC1CCC(NOC(C)(C)C)CC1 134482301 343943894 /nfs/dbraw/zinc/94/38/94/343943894.db2.gz OHWZZDNQXYEKIM-UHFFFAOYSA-N 0 0 185.311 2.885 10 0 AFAERN CC(C)(C)ONCc1ccccc1 134482813 343943906 /nfs/dbraw/zinc/94/39/06/343943906.db2.gz QHIPAWKAYLRKDY-UHFFFAOYSA-N 0 0 179.263 2.506 10 0 AFAERN CC1(C)CC[C@H](NOC(C)(C)C)C1 134484454 343943923 /nfs/dbraw/zinc/94/39/23/343943923.db2.gz TYTYLQAHQZYYNJ-VIFPVBQESA-N 0 0 185.311 2.885 10 0 AFAERN Fc1ccc(NCC2CCCC2)cn1 134538155 343944898 /nfs/dbraw/zinc/94/48/98/343944898.db2.gz CLYSWXPFMRWPHN-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN C[C@@H]1CCC[C@H]([C@@H]2CSCC2=O)C1 134560945 343945372 /nfs/dbraw/zinc/94/53/72/343945372.db2.gz CYJNERSMVIXSKT-UTLUCORTSA-N 0 0 198.331 2.745 10 0 AFAERN O=C1CSC[C@@H]1CC1CCCCC1 134567013 343945788 /nfs/dbraw/zinc/94/57/88/343945788.db2.gz HOKXKMGHKBJXCW-JTQLQIEISA-N 0 0 198.331 2.889 10 0 AFAERN CCc1cccnc1[C@H](O)C(C)(C)C 134616423 343947422 /nfs/dbraw/zinc/94/74/22/343947422.db2.gz IMAARDFUWHQMKC-NSHDSACASA-N 0 0 193.290 2.724 10 0 AFAERN CCc1cccnc1C(=O)C(C)(C)C 134614406 343947495 /nfs/dbraw/zinc/94/74/95/343947495.db2.gz DEOVEXYDUJKTDL-UHFFFAOYSA-N 0 0 191.274 2.873 10 0 AFAERN CCc1cccnc1[C@@H](O)C(C)(C)C 134616445 343947544 /nfs/dbraw/zinc/94/75/44/343947544.db2.gz IMAARDFUWHQMKC-LLVKDONJSA-N 0 0 193.290 2.724 10 0 AFAERN CC(C)(C)CC[C@@H]1CSC[C@H]1O 134666941 343947873 /nfs/dbraw/zinc/94/78/73/343947873.db2.gz LCTUYLHZDLVVDD-RKDXNWHRSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)(C)CC[C@H]1CSC[C@H]1O 134666963 343947877 /nfs/dbraw/zinc/94/78/77/343947877.db2.gz LCTUYLHZDLVVDD-DTWKUNHWSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)(C)CC[C@H]1CSC[C@@H]1O 134666914 343947971 /nfs/dbraw/zinc/94/79/71/343947971.db2.gz LCTUYLHZDLVVDD-IUCAKERBSA-N 0 0 188.336 2.537 10 0 AFAERN Fc1ccc2c(Cl)c[nH]c2c1 134722207 343948486 /nfs/dbraw/zinc/94/84/86/343948486.db2.gz JZWXLDILZJCAMH-UHFFFAOYSA-N 0 0 169.586 2.960 10 0 AFAERN CC[C@H](O)c1c[nH]c2cc(C)ccc12 134884262 343950192 /nfs/dbraw/zinc/95/01/92/343950192.db2.gz VQZGTSYGSFLPNC-LBPRGKRZSA-N 0 0 189.258 2.920 10 0 AFAERN CC[C@@H](O)c1c[nH]c2ccc(C)cc12 134885889 343950244 /nfs/dbraw/zinc/95/02/44/343950244.db2.gz TUOVKUPKSWAMEB-GFCCVEGCSA-N 0 0 189.258 2.920 10 0 AFAERN Cc1cccc2[nH]cc([C@@H](C)O)c12 134884560 343950254 /nfs/dbraw/zinc/95/02/54/343950254.db2.gz MEHLTYHLWQEOPB-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN CCc1cccc2c([C@@H](C)O)c[nH]c12 134882874 343950354 /nfs/dbraw/zinc/95/03/54/343950354.db2.gz XKDLDSYDQNBULX-MRVPVSSYSA-N 0 0 189.258 2.784 10 0 AFAERN Cc1ccc(-c2ccoc2)c(N)c1 134872414 343950443 /nfs/dbraw/zinc/95/04/43/343950443.db2.gz RSXBONIYPMBZNS-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CC[C@H](O)c1c[nH]c2cc(F)ccc12 134884681 343950447 /nfs/dbraw/zinc/95/04/47/343950447.db2.gz DSIXKDXNHZDTEL-NSHDSACASA-N 0 0 193.221 2.750 10 0 AFAERN C[C@H](O)c1c[nH]c2ccc(Cl)cc12 134886009 343950484 /nfs/dbraw/zinc/95/04/84/343950484.db2.gz BKHYTURXOPMNOM-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN Cc1cccc2[nH]cc([C@H](C)O)c12 134884540 343950508 /nfs/dbraw/zinc/95/05/08/343950508.db2.gz MEHLTYHLWQEOPB-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN CC[C@H](O)c1cn(C)c2ccccc12 134883382 343950550 /nfs/dbraw/zinc/95/05/50/343950550.db2.gz FQTVFCAZIOXCFI-LBPRGKRZSA-N 0 0 189.258 2.622 10 0 AFAERN CC[C@@H](O)c1c[nH]c2ccc(F)cc12 134885712 343950571 /nfs/dbraw/zinc/95/05/71/343950571.db2.gz KBMAIXAWEKHPKE-LLVKDONJSA-N 0 0 193.221 2.750 10 0 AFAERN C[C@@H](O)c1c[nH]c2ccc(Cl)cc12 134886028 343950594 /nfs/dbraw/zinc/95/05/94/343950594.db2.gz BKHYTURXOPMNOM-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN CC[C@H](O)c1c[nH]c2ccc(F)cc12 134885786 343950629 /nfs/dbraw/zinc/95/06/29/343950629.db2.gz KBMAIXAWEKHPKE-NSHDSACASA-N 0 0 193.221 2.750 10 0 AFAERN C[C@@H](O)c1c[nH]c2cccc(Cl)c12 134886550 343950984 /nfs/dbraw/zinc/95/09/84/343950984.db2.gz NYAMYHVIJRXWJV-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN ONCc1c(Cl)oc2ccccc12 134888271 343951026 /nfs/dbraw/zinc/95/10/26/343951026.db2.gz KZAOIMZQWFKWHG-UHFFFAOYSA-N 0 0 197.621 2.565 10 0 AFAERN C[C@H](O)c1c[nH]c2cccc(Cl)c12 134886530 343951075 /nfs/dbraw/zinc/95/10/75/343951075.db2.gz NYAMYHVIJRXWJV-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN CC[C@H](C)c1csc(C)n1 134962228 343952346 /nfs/dbraw/zinc/95/23/46/343952346.db2.gz WUZNATZWZNKWBO-LURJTMIESA-N 0 0 155.266 2.965 10 0 AFAERN Cc1cnc(NCc2ccoc2)s1 134991250 343952734 /nfs/dbraw/zinc/95/27/34/343952734.db2.gz FDRXPDJVFOUKEB-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN Cc1ncsc1[C@H](O)CC(C)C 135032867 343953471 /nfs/dbraw/zinc/95/34/71/343953471.db2.gz QXPNCWKSDOPVMD-MRVPVSSYSA-N 0 0 185.292 2.531 10 0 AFAERN Cc1ncsc1[C@@H](O)CC(C)C 135032888 343953491 /nfs/dbraw/zinc/95/34/91/343953491.db2.gz QXPNCWKSDOPVMD-QMMMGPOBSA-N 0 0 185.292 2.531 10 0 AFAERN CCC(=O)[C@H]1CSc2ccccc21 135049078 343953671 /nfs/dbraw/zinc/95/36/71/343953671.db2.gz QMZOPHZZDLQTFX-VIFPVBQESA-N 0 0 192.283 2.855 10 0 AFAERN CCC(=O)C1CCC(F)(F)CC1 135050423 343953717 /nfs/dbraw/zinc/95/37/17/343953717.db2.gz DXTFXYLNBJVHLY-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN CCC(=O)[C@@H]1CSc2ccccc21 135049061 343953786 /nfs/dbraw/zinc/95/37/86/343953786.db2.gz QMZOPHZZDLQTFX-SECBINFHSA-N 0 0 192.283 2.855 10 0 AFAERN CCC(C)(C)Nc1ccccn1 135048944 343953932 /nfs/dbraw/zinc/95/39/32/343953932.db2.gz JIJWNGLABMCDDK-UHFFFAOYSA-N 0 0 164.252 2.682 10 0 AFAERN CSCCOc1cccc(C)c1 135044967 343953995 /nfs/dbraw/zinc/95/39/95/343953995.db2.gz FLMNWWOVPJMZLS-UHFFFAOYSA-N 0 0 182.288 2.737 10 0 AFAERN CCC(C)(C)Nc1nccs1 135061300 343954004 /nfs/dbraw/zinc/95/40/04/343954004.db2.gz SUIRAYOMLNVAFE-UHFFFAOYSA-N 0 0 170.281 2.744 10 0 AFAERN CCC(C)(C)Nc1ncc(Cl)cn1 135069867 343954223 /nfs/dbraw/zinc/95/42/23/343954223.db2.gz DXXHCYVIFPGITB-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN O[C@@]1(c2cccs2)C=CCCC1 135113317 343954653 /nfs/dbraw/zinc/95/46/53/343954653.db2.gz RZWOZJPFXRTKPQ-JTQLQIEISA-N 0 0 180.272 2.676 10 0 AFAERN CC[C@H](C)[C@@]1(O)C=CCCC1 135114703 343955187 /nfs/dbraw/zinc/95/51/87/343955187.db2.gz DZLGEKGORGNTAA-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN O[C@]1(c2ccccc2F)C=CCCC1 135116342 343955210 /nfs/dbraw/zinc/95/52/10/343955210.db2.gz BYSYHXXWRQXUGT-GFCCVEGCSA-N 0 0 192.233 2.753 10 0 AFAERN CC[C@@H](C)[C@@]1(O)C=CCCC1 135114689 343955262 /nfs/dbraw/zinc/95/52/62/343955262.db2.gz DZLGEKGORGNTAA-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CCC(CC)[C@@]1(O)C=CCCC1 135116119 343955298 /nfs/dbraw/zinc/95/52/98/343955298.db2.gz ZIXAOPFIHBZODE-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN O[C@@]1(C2CCCC2)C=CCCC1 135117046 343955300 /nfs/dbraw/zinc/95/53/00/343955300.db2.gz JKXVPCBWQVZZIC-NSHDSACASA-N 0 0 166.264 2.648 10 0 AFAERN CCC(CC)[C@]1(O)C=CCCC1 135116135 343955307 /nfs/dbraw/zinc/95/53/07/343955307.db2.gz ZIXAOPFIHBZODE-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@H](C)[C@]1(O)C=CCCC1 135114726 343955313 /nfs/dbraw/zinc/95/53/13/343955313.db2.gz DZLGEKGORGNTAA-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN O[C@]1(C2CCCC2)C=CCCC1 135117028 343955339 /nfs/dbraw/zinc/95/53/39/343955339.db2.gz JKXVPCBWQVZZIC-LLVKDONJSA-N 0 0 166.264 2.648 10 0 AFAERN O[C@@]1(c2ccccc2F)C=CCCC1 135116360 343955402 /nfs/dbraw/zinc/95/54/02/343955402.db2.gz BYSYHXXWRQXUGT-LBPRGKRZSA-N 0 0 192.233 2.753 10 0 AFAERN CCC(C)(C)Nc1cccc(C)n1 135150156 343955557 /nfs/dbraw/zinc/95/55/57/343955557.db2.gz NHCNZOSQQLIZLK-UHFFFAOYSA-N 0 0 178.279 2.991 10 0 AFAERN CCC(C)(C)Nc1ccc(C)cn1 135149679 343955634 /nfs/dbraw/zinc/95/56/34/343955634.db2.gz PVELRQRKSJWNJW-UHFFFAOYSA-N 0 0 178.279 2.991 10 0 AFAERN CCC(C)(C)Nc1ncccc1F 135149819 343955736 /nfs/dbraw/zinc/95/57/36/343955736.db2.gz MDJADEHCFDMTND-UHFFFAOYSA-N 0 0 182.242 2.821 10 0 AFAERN CCC(C)(C)Nc1cc(C)ccn1 135149484 343955772 /nfs/dbraw/zinc/95/57/72/343955772.db2.gz FABODBBDVLYZDR-UHFFFAOYSA-N 0 0 178.279 2.991 10 0 AFAERN CCC(C)(C)Nc1ncccc1C 135149730 343955786 /nfs/dbraw/zinc/95/57/86/343955786.db2.gz HKAGZDMUCGDLQP-UHFFFAOYSA-N 0 0 178.279 2.991 10 0 AFAERN CCC(C)(C)Nc1ccc(F)cn1 135149208 343955808 /nfs/dbraw/zinc/95/58/08/343955808.db2.gz ADDGHVAPYAKXFH-UHFFFAOYSA-N 0 0 182.242 2.821 10 0 AFAERN CC(C)C[C@](C)(O)C1CCCC1 135177824 343956504 /nfs/dbraw/zinc/95/65/04/343956504.db2.gz DZEYGWMHLNIDMN-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cncc([C@](C)(O)CC(C)C)c1 135175608 343956582 /nfs/dbraw/zinc/95/65/82/343956582.db2.gz TYYUVBIFLOEZGM-GFCCVEGCSA-N 0 0 193.290 2.644 10 0 AFAERN CC(C)C[C@@](C)(O)C1CCCC1 135177845 343956712 /nfs/dbraw/zinc/95/67/12/343956712.db2.gz DZEYGWMHLNIDMN-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cncc([C@@](C)(O)CC(C)C)c1 135175630 343956760 /nfs/dbraw/zinc/95/67/60/343956760.db2.gz TYYUVBIFLOEZGM-LBPRGKRZSA-N 0 0 193.290 2.644 10 0 AFAERN C=CC(=O)Nc1c(F)cccc1Cl 135246290 343957912 /nfs/dbraw/zinc/95/79/12/343957912.db2.gz VXPBULRAMTWUCX-UHFFFAOYSA-N 0 0 199.612 2.604 10 0 AFAERN COC[C@H](C)Nc1c(C)cccc1F 135235928 343957926 /nfs/dbraw/zinc/95/79/26/343957926.db2.gz IBIWGWSEZSYKOY-VIFPVBQESA-N 0 0 197.253 2.581 10 0 AFAERN CC[C@@]1(C)CCCC(=O)C1 139950900 343997210 /nfs/dbraw/zinc/99/72/10/343997210.db2.gz HPFWICIZVJFFNM-VIFPVBQESA-N 0 0 140.226 2.546 10 0 AFAERN C=COc1ccc(F)c(C)c1 135344121 343959325 /nfs/dbraw/zinc/95/93/25/343959325.db2.gz RZYJZZKKARJODF-UHFFFAOYSA-N 0 0 152.168 2.656 10 0 AFAERN O=C1CCCCc2cn(C(F)F)cc21 135386635 343960742 /nfs/dbraw/zinc/96/07/42/343960742.db2.gz PEBRLNQAGIVOJL-UHFFFAOYSA-N 0 0 199.200 2.792 10 0 AFAERN CC(C)Cn1cc2c(c1)C(=O)CCC2 135390997 343961258 /nfs/dbraw/zinc/96/12/58/343961258.db2.gz QFZMMJXSJFILKT-UHFFFAOYSA-N 0 0 191.274 2.663 10 0 AFAERN CCCCn1cc2c(c1)C(=O)CCC2 135389743 343961308 /nfs/dbraw/zinc/96/13/08/343961308.db2.gz IRGRULJBDBYVIP-UHFFFAOYSA-N 0 0 191.274 2.807 10 0 AFAERN CCCn1cc2c(c1)[C@H](O)CCCC2 135411700 343961965 /nfs/dbraw/zinc/96/19/65/343961965.db2.gz YRHWQKWHJXLNMJ-GFCCVEGCSA-N 0 0 193.290 2.658 10 0 AFAERN CCCn1cc2c(c1)[C@@H](O)CCCC2 135411721 343962110 /nfs/dbraw/zinc/96/21/10/343962110.db2.gz YRHWQKWHJXLNMJ-LBPRGKRZSA-N 0 0 193.290 2.658 10 0 AFAERN CC(C)Cn1cc2c(c1)[C@H](O)CCC2 135442674 343963140 /nfs/dbraw/zinc/96/31/40/343963140.db2.gz APOUDRHOTGXDQX-GFCCVEGCSA-N 0 0 193.290 2.514 10 0 AFAERN CCCCn1cc2c(c1)[C@@H](O)CCC2 135440183 343963189 /nfs/dbraw/zinc/96/31/89/343963189.db2.gz XVSOLSJRXPEOGZ-LBPRGKRZSA-N 0 0 193.290 2.658 10 0 AFAERN CCCCn1cc2c(c1)[C@H](O)CCC2 135440167 343963410 /nfs/dbraw/zinc/96/34/10/343963410.db2.gz XVSOLSJRXPEOGZ-GFCCVEGCSA-N 0 0 193.290 2.658 10 0 AFAERN CC(C)Cn1cc2c(c1)[C@@H](O)CCC2 135442692 343963414 /nfs/dbraw/zinc/96/34/14/343963414.db2.gz APOUDRHOTGXDQX-LBPRGKRZSA-N 0 0 193.290 2.514 10 0 AFAERN Cc1ccncc1-c1cc(Cl)on1 135570014 343965538 /nfs/dbraw/zinc/96/55/38/343965538.db2.gz JWGJZAIXTLTIOQ-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN C/C=C\c1ccc(F)cc1 135688053 343966523 /nfs/dbraw/zinc/96/65/23/343966523.db2.gz ISSQWNWNKKUUAA-IHWYPQMZSA-N 0 0 136.169 2.859 10 0 AFAERN O[C@@H](c1ccccc1)C(F)(F)Cl 135782099 343967336 /nfs/dbraw/zinc/96/73/36/343967336.db2.gz FMOACCSFYBBLBO-ZETCQYMHSA-N 0 0 192.592 2.552 10 0 AFAERN O[C@H](c1ccccc1)C(F)(F)Cl 135782138 343967388 /nfs/dbraw/zinc/96/73/88/343967388.db2.gz FMOACCSFYBBLBO-SSDOTTSWSA-N 0 0 192.592 2.552 10 0 AFAERN CCCn1cc(N)c(C2CCCC2)n1 135774236 343967448 /nfs/dbraw/zinc/96/74/48/343967448.db2.gz ULBVPTWSRDBUBM-UHFFFAOYSA-N 0 0 193.294 2.533 10 0 AFAERN CSCCOc1ccccc1C 135782795 343967523 /nfs/dbraw/zinc/96/75/23/343967523.db2.gz DXROZNDESGWYBU-UHFFFAOYSA-N 0 0 182.288 2.737 10 0 AFAERN O=C(CC1CCC1)c1ccncc1F 135816137 343967913 /nfs/dbraw/zinc/96/79/13/343967913.db2.gz ORMAICHRNGCHFI-UHFFFAOYSA-N 0 0 193.221 2.594 10 0 AFAERN O=C(c1ccncc1F)C1CCCC1 135820878 343968529 /nfs/dbraw/zinc/96/85/29/343968529.db2.gz LSTZLYMMWPBZBI-UHFFFAOYSA-N 0 0 193.221 2.594 10 0 AFAERN CC(C)c1nn([C@H](C)C2CC2)cc1N 135839083 343968501 /nfs/dbraw/zinc/96/85/01/343968501.db2.gz ARWWQGKYQFRUHY-MRVPVSSYSA-N 0 0 193.294 2.560 10 0 AFAERN CC(C)c1nn([C@@H](C)C2CC2)cc1N 135839045 343968507 /nfs/dbraw/zinc/96/85/07/343968507.db2.gz ARWWQGKYQFRUHY-QMMMGPOBSA-N 0 0 193.294 2.560 10 0 AFAERN CC1=CC[C@@H]2C(=O)CCC[C@@H]2C1 135868403 343969552 /nfs/dbraw/zinc/96/95/52/343969552.db2.gz LPPFWYHMYXLSTR-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)[C@H]1CC[C@H](C)CCO1 143927960 344022899 /nfs/dbraw/zinc/02/28/99/344022899.db2.gz TYXDRMGIXMWUMV-VHSXEESVSA-N 0 0 156.269 2.848 10 0 AFAERN CC(C)c1cn2c(n1)C[C@@H](C)CC2 135889184 343970163 /nfs/dbraw/zinc/97/01/63/343970163.db2.gz KXYOGUKUCSNJON-VIFPVBQESA-N 0 0 178.279 2.589 10 0 AFAERN CCCc1nc2n(c1CC)CCCC2 135887730 343970213 /nfs/dbraw/zinc/97/02/13/343970213.db2.gz INKNTXJSAVJISD-UHFFFAOYSA-N 0 0 192.306 2.734 10 0 AFAERN CC(C)c1cn2c(n1)C[C@H](C)CC2 135889151 343970269 /nfs/dbraw/zinc/97/02/69/343970269.db2.gz KXYOGUKUCSNJON-SECBINFHSA-N 0 0 178.279 2.589 10 0 AFAERN CC[C@H](C)c1cn2c(n1)C[C@H](C)CC2 135889343 343970387 /nfs/dbraw/zinc/97/03/87/343970387.db2.gz VKVBDTQFPFHJQF-ZJUUUORDSA-N 0 0 192.306 2.979 10 0 AFAERN CC[C@@H](C)c1cn2c(n1)C[C@H](C)CC2 135889310 343970479 /nfs/dbraw/zinc/97/04/79/343970479.db2.gz VKVBDTQFPFHJQF-NXEZZACHSA-N 0 0 192.306 2.979 10 0 AFAERN Cc1c(C(C)C)nc2n1CCCC2 135888205 343970551 /nfs/dbraw/zinc/97/05/51/343970551.db2.gz GGQFGDYSTBNYHB-UHFFFAOYSA-N 0 0 178.279 2.651 10 0 AFAERN CC[C@H](C)c1cn2c(n1)C[C@@H](C)CC2 135889404 343970813 /nfs/dbraw/zinc/97/08/13/343970813.db2.gz VKVBDTQFPFHJQF-UWVGGRQHSA-N 0 0 192.306 2.979 10 0 AFAERN Cc1c(C2CC2)nc2n1CC[C@H](C)C2 135891912 343970843 /nfs/dbraw/zinc/97/08/43/343970843.db2.gz HPOAODZRAPKCEE-QMMMGPOBSA-N 0 0 190.290 2.651 10 0 AFAERN CCCc1cn2c(n1)[C@H](C)CCC2 135893327 343970849 /nfs/dbraw/zinc/97/08/49/343970849.db2.gz DWDRBMFDCLSIKS-SECBINFHSA-N 0 0 178.279 2.733 10 0 AFAERN C[C@@H]1CCCn2c1nc1c2CCCC1 135895415 343970861 /nfs/dbraw/zinc/97/08/61/343970861.db2.gz JFTSDEFICPPWCS-SECBINFHSA-N 0 0 190.290 2.659 10 0 AFAERN Cc1c(C(C)C)nc2n1CC[C@@H](C)C2 135892130 343970874 /nfs/dbraw/zinc/97/08/74/343970874.db2.gz PJPXYYWCCNPOFC-SECBINFHSA-N 0 0 192.306 2.897 10 0 AFAERN C[C@@H]1CCCn2cc(C3(C)CC3)nc21 135894428 343970938 /nfs/dbraw/zinc/97/09/38/343970938.db2.gz OUQLKXOPIDGQTP-SECBINFHSA-N 0 0 190.290 2.832 10 0 AFAERN CCc1c(C)nc2n1CCC[C@@H]2C 135893800 343970986 /nfs/dbraw/zinc/97/09/86/343970986.db2.gz FBIFZLJBPIEVPL-QMMMGPOBSA-N 0 0 178.279 2.651 10 0 AFAERN CCCc1cn2c(n1)[C@@H](C)CCC2 135893353 343970999 /nfs/dbraw/zinc/97/09/99/343970999.db2.gz DWDRBMFDCLSIKS-VIFPVBQESA-N 0 0 178.279 2.733 10 0 AFAERN C[C@@H]1CCn2c(C(C)(C)C)cnc2C1 135889606 343971005 /nfs/dbraw/zinc/97/10/05/343971005.db2.gz VKNGJPXOVQPLGT-SECBINFHSA-N 0 0 192.306 2.763 10 0 AFAERN C[C@H]1CCCn2cc(C3(C)CC3)nc21 135894464 343971018 /nfs/dbraw/zinc/97/10/18/343971018.db2.gz OUQLKXOPIDGQTP-VIFPVBQESA-N 0 0 190.290 2.832 10 0 AFAERN C[C@H]1CCCn2c1nc1c2CCCC1 135895452 343971027 /nfs/dbraw/zinc/97/10/27/343971027.db2.gz JFTSDEFICPPWCS-VIFPVBQESA-N 0 0 190.290 2.659 10 0 AFAERN C[C@@H]1CCn2cc(C3(C)CC3)nc2C1 135890142 343971064 /nfs/dbraw/zinc/97/10/64/343971064.db2.gz SMVYZCYDNZTNJP-SECBINFHSA-N 0 0 190.290 2.517 10 0 AFAERN Cc1c(C(C)C)nc2n1CC[C@H](C)C2 135892094 343971089 /nfs/dbraw/zinc/97/10/89/343971089.db2.gz PJPXYYWCCNPOFC-VIFPVBQESA-N 0 0 192.306 2.897 10 0 AFAERN CCc1c(C)nc2n1CCC[C@H]2C 135893828 343971114 /nfs/dbraw/zinc/97/11/14/343971114.db2.gz FBIFZLJBPIEVPL-MRVPVSSYSA-N 0 0 178.279 2.651 10 0 AFAERN C[C@H]1CCn2c(C(C)(C)C)cnc2C1 135889638 343971284 /nfs/dbraw/zinc/97/12/84/343971284.db2.gz VKNGJPXOVQPLGT-VIFPVBQESA-N 0 0 192.306 2.763 10 0 AFAERN C[C@H]1CCn2cc(C3(C)CC3)nc2C1 135890173 343971299 /nfs/dbraw/zinc/97/12/99/343971299.db2.gz SMVYZCYDNZTNJP-VIFPVBQESA-N 0 0 190.290 2.517 10 0 AFAERN CCc1nc2n(c1C)[C@H](C)CCC2 135910154 343971594 /nfs/dbraw/zinc/97/15/94/343971594.db2.gz DULKXDTWYWUZMP-MRVPVSSYSA-N 0 0 178.279 2.651 10 0 AFAERN Cc1c(C(C)C)nc2n1C[C@H](C)CC2 135908793 343971600 /nfs/dbraw/zinc/97/16/00/343971600.db2.gz RBVIHJUMFIBXOF-SECBINFHSA-N 0 0 192.306 2.897 10 0 AFAERN Cc1c(C2CC2)nc2n1C[C@H](C)CC2 135908633 343971614 /nfs/dbraw/zinc/97/16/14/343971614.db2.gz CNQOMXAHGSDHMQ-MRVPVSSYSA-N 0 0 190.290 2.651 10 0 AFAERN CCc1c(C)nc2n1[C@H](C)CCC2 135910808 343971643 /nfs/dbraw/zinc/97/16/43/343971643.db2.gz XLVBEJOJNKTFGL-MRVPVSSYSA-N 0 0 178.279 2.651 10 0 AFAERN CCc1c(C)nc2n1[C@@H](C)CCC2 135910840 343971648 /nfs/dbraw/zinc/97/16/48/343971648.db2.gz XLVBEJOJNKTFGL-QMMMGPOBSA-N 0 0 178.279 2.651 10 0 AFAERN C[C@H]1CCc2nc(C(C)(C)C)cn2C1 135907695 343971652 /nfs/dbraw/zinc/97/16/52/343971652.db2.gz CHTUKJUXBQUEQA-VIFPVBQESA-N 0 0 192.306 2.763 10 0 AFAERN C[C@@H]1CCc2nc(C(C)(C)C)cn2C1 135907657 343971673 /nfs/dbraw/zinc/97/16/73/343971673.db2.gz CHTUKJUXBQUEQA-SECBINFHSA-N 0 0 192.306 2.763 10 0 AFAERN C[C@H]1CCCc2nc3c(n21)CCCC3 135912396 343971677 /nfs/dbraw/zinc/97/16/77/343971677.db2.gz JOJDWYNHUINTEB-VIFPVBQESA-N 0 0 190.290 2.659 10 0 AFAERN Cc1c(C2CC2)nc2n1C[C@@H](C)CC2 135908667 343971693 /nfs/dbraw/zinc/97/16/93/343971693.db2.gz CNQOMXAHGSDHMQ-QMMMGPOBSA-N 0 0 190.290 2.651 10 0 AFAERN C[C@@H]1CCCc2nc(C3(C)CC3)cn21 135911399 343971698 /nfs/dbraw/zinc/97/16/98/343971698.db2.gz VDWYMQMMSUOHKX-SECBINFHSA-N 0 0 190.290 2.832 10 0 AFAERN CC[C@H](C)c1cn2c(n1)CC[C@H](C)C2 135905679 343971705 /nfs/dbraw/zinc/97/17/05/343971705.db2.gz IUCCAFLVVCBZCB-UWVGGRQHSA-N 0 0 192.306 2.979 10 0 AFAERN Cc1c(C2CC2)nc2n1[C@H](C)CCC2 135913205 343971735 /nfs/dbraw/zinc/97/17/35/343971735.db2.gz MMLLXNVBFVSDPA-MRVPVSSYSA-N 0 0 190.290 2.966 10 0 AFAERN C[C@@H]1CCCc2nc3c(n21)CCCC3 135912357 343971785 /nfs/dbraw/zinc/97/17/85/343971785.db2.gz JOJDWYNHUINTEB-SECBINFHSA-N 0 0 190.290 2.659 10 0 AFAERN CCc1nc2n(c1C)[C@@H](C)CCC2 135910117 343971800 /nfs/dbraw/zinc/97/18/00/343971800.db2.gz DULKXDTWYWUZMP-QMMMGPOBSA-N 0 0 178.279 2.651 10 0 AFAERN CCCc1cn2c(n1)CCC[C@H]2C 135910386 343971831 /nfs/dbraw/zinc/97/18/31/343971831.db2.gz XYDNFDQUHHPUDQ-SECBINFHSA-N 0 0 178.279 2.733 10 0 AFAERN CC[C@H](C)c1cn2c(n1)CC[C@@H](C)C2 135905757 343971835 /nfs/dbraw/zinc/97/18/35/343971835.db2.gz IUCCAFLVVCBZCB-ZJUUUORDSA-N 0 0 192.306 2.979 10 0 AFAERN Cc1c(C2CC2)nc2n1[C@@H](C)CCC2 135913237 343971853 /nfs/dbraw/zinc/97/18/53/343971853.db2.gz MMLLXNVBFVSDPA-QMMMGPOBSA-N 0 0 190.290 2.966 10 0 AFAERN Cc1c(C(C)C)nc2n1C[C@@H](C)CC2 135908833 343971874 /nfs/dbraw/zinc/97/18/74/343971874.db2.gz RBVIHJUMFIBXOF-VIFPVBQESA-N 0 0 192.306 2.897 10 0 AFAERN CC[C@@H](C)c1cn2c(n1)CC[C@H](C)C2 135905648 343971886 /nfs/dbraw/zinc/97/18/86/343971886.db2.gz IUCCAFLVVCBZCB-VHSXEESVSA-N 0 0 192.306 2.979 10 0 AFAERN CCCc1cn2c(n1)CCC[C@@H]2C 135910349 343971897 /nfs/dbraw/zinc/97/18/97/343971897.db2.gz XYDNFDQUHHPUDQ-VIFPVBQESA-N 0 0 178.279 2.733 10 0 AFAERN CC[C@@H](C)c1cn2c(n1)CC[C@@H](C)C2 135905714 343971901 /nfs/dbraw/zinc/97/19/01/343971901.db2.gz IUCCAFLVVCBZCB-NXEZZACHSA-N 0 0 192.306 2.979 10 0 AFAERN F[C@H]1C[C@@H]1c1ccccc1 135959035 343971988 /nfs/dbraw/zinc/97/19/88/343971988.db2.gz JOEQACXXKPWIAT-BDAKNGLRSA-N 0 0 136.169 2.512 10 0 AFAERN F[C@@H]1C[C@@H]1c1ccccc1 135959105 343972006 /nfs/dbraw/zinc/97/20/06/343972006.db2.gz JOEQACXXKPWIAT-RKDXNWHRSA-N 0 0 136.169 2.512 10 0 AFAERN F[C@@H]1C[C@H]1c1ccccc1 135959071 343972286 /nfs/dbraw/zinc/97/22/86/343972286.db2.gz JOEQACXXKPWIAT-DTWKUNHWSA-N 0 0 136.169 2.512 10 0 AFAERN CNC(=O)Nc1ccccc1C(C)C 135967695 343972645 /nfs/dbraw/zinc/97/26/45/343972645.db2.gz AGFIEFCGSGQMDI-UHFFFAOYSA-N 0 0 192.262 2.561 10 0 AFAERN C1=CC(Cc2ccccc2)C=C1 135982844 343972695 /nfs/dbraw/zinc/97/26/95/343972695.db2.gz PLPLMLVSRSZVSD-UHFFFAOYSA-N 0 0 156.228 2.971 10 0 AFAERN O=C(c1ccccc1)[C@@H]1CC12CC2 136072165 343974331 /nfs/dbraw/zinc/97/43/31/343974331.db2.gz HXQRCMMZEPDBRB-JTQLQIEISA-N 0 0 172.227 2.669 10 0 AFAERN CC(C)n1cnnc1-c1ccccc1 136119556 343974657 /nfs/dbraw/zinc/97/46/57/343974657.db2.gz UXYKYFQQZVHZFT-UHFFFAOYSA-N 0 0 187.246 2.526 10 0 AFAERN C/C=C1/CN1[C@@H](C)c1ccccc1 136112795 343974752 /nfs/dbraw/zinc/97/47/52/343974752.db2.gz RURQEJZZIGVQDH-CBEMSPSMSA-N 0 0 173.259 2.967 10 0 AFAERN CSCCCOc1ccccc1 136126389 343975083 /nfs/dbraw/zinc/97/50/83/343975083.db2.gz ICLOTVLXEXLADX-UHFFFAOYSA-N 0 0 182.288 2.819 10 0 AFAERN CC1=CC[C@@H]2C(=O)CCC[C@H]2C1 136151264 343975661 /nfs/dbraw/zinc/97/56/61/343975661.db2.gz LPPFWYHMYXLSTR-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN Fc1ccc(Cc2ccncc2)cc1 136161132 343976049 /nfs/dbraw/zinc/97/60/49/343976049.db2.gz FXYSZFGHVKAGGK-UHFFFAOYSA-N 0 0 187.217 2.812 10 0 AFAERN CSc1cc2ccccc2[nH]1 136262561 343978615 /nfs/dbraw/zinc/97/86/15/343978615.db2.gz SEINETSKRAZANU-UHFFFAOYSA-N 0 0 163.245 2.890 10 0 AFAERN CCC(C)(C)[C@H]1CCCC1=O 136346311 343979674 /nfs/dbraw/zinc/97/96/74/343979674.db2.gz LGEUAXFZJOQRBB-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(C)(C)[C@@H]1CCCC1=O 136346278 343979740 /nfs/dbraw/zinc/97/97/40/343979740.db2.gz LGEUAXFZJOQRBB-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)OC/C(F)=C/c1ccccc1 136369325 343980214 /nfs/dbraw/zinc/98/02/14/343980214.db2.gz WMOPGNJNLNIWRQ-XFFZJAGNSA-N 0 0 194.205 2.560 10 0 AFAERN COC/C(C)=C/c1ccccc1 136509373 343981025 /nfs/dbraw/zinc/98/10/25/343981025.db2.gz GLBXORYEUQSVTK-CSKARUKUSA-N 0 0 162.232 2.736 10 0 AFAERN CC(C)[C@H]1C=C(CCO)[C@H](C)CC1 136660261 343981363 /nfs/dbraw/zinc/98/13/63/343981363.db2.gz ICLSFZRQTIWCGC-GHMZBOCLSA-N 0 0 182.307 2.997 10 0 AFAERN CC1(C)CCC(=O)CC1 136549213 343981426 /nfs/dbraw/zinc/98/14/26/343981426.db2.gz HNDQLFHAMUPKKK-UHFFFAOYSA-N 0 0 126.199 2.638 10 0 AFAERN c1cc2c3c(cccc3c1)C2 136635984 343981494 /nfs/dbraw/zinc/98/14/94/343981494.db2.gz SMRGIWCLEKDGKT-UHFFFAOYSA-N 0 0 140.185 2.744 10 0 AFAERN CCCC[C@@H](C)OC(=O)CC 136662287 343981501 /nfs/dbraw/zinc/98/15/01/343981501.db2.gz XOZXPRSBNBCWRN-MRVPVSSYSA-N 0 0 158.241 2.518 10 0 AFAERN CC(C)=CCC/C(C)=C(/F)CO 136594258 343981584 /nfs/dbraw/zinc/98/15/84/343981584.db2.gz XAIXQWWXQKMCFZ-MDZDMXLPSA-N 0 0 172.243 2.969 10 0 AFAERN CC[C@H]1CC[C@H](C)N1C(=O)C(C)(C)C 136700252 343981832 /nfs/dbraw/zinc/98/18/32/343981832.db2.gz PVIYHBRWIXYZEC-UWVGGRQHSA-N 0 0 197.322 2.822 10 0 AFAERN Cc1c2n(c3ccccc13)CCCC2=O 136688632 343982070 /nfs/dbraw/zinc/98/20/70/343982070.db2.gz AATUXKXRCFFGPI-UHFFFAOYSA-N 0 0 199.253 2.926 10 0 AFAERN CC[C@H]1CC[C@@H](C)N1C(=O)C(C)(C)C 136700314 343982084 /nfs/dbraw/zinc/98/20/84/343982084.db2.gz PVIYHBRWIXYZEC-ZJUUUORDSA-N 0 0 197.322 2.822 10 0 AFAERN CC(=O)OC/C=C/c1ccc(C)cc1 136915693 343982314 /nfs/dbraw/zinc/98/23/14/343982314.db2.gz DAFYRFPANVKQOF-ONEGZZNKSA-N 0 0 190.242 2.571 10 0 AFAERN O=C(C1CC1)C1CCC(F)(F)CC1 136895624 343982332 /nfs/dbraw/zinc/98/23/32/343982332.db2.gz TYXOQHCOMLWHQQ-UHFFFAOYSA-N 0 0 188.217 2.791 10 0 AFAERN CC1=CC[C@@]2(C)CC[C@@H]12 136851693 343982360 /nfs/dbraw/zinc/98/23/60/343982360.db2.gz YXNBVINUAHKUTR-IUCAKERBSA-N 0 0 122.211 2.753 10 0 AFAERN C1CCC(NOC2CCCC2)CC1 136899767 343982381 /nfs/dbraw/zinc/98/23/81/343982381.db2.gz CYLZYLXEMKLUIT-UHFFFAOYSA-N 0 0 183.295 2.783 10 0 AFAERN O=C(c1ccnc2ccccc12)C1CC1 136897534 343982398 /nfs/dbraw/zinc/98/23/98/343982398.db2.gz UFTBLUBAKYGVOE-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN CC(=O)[C@H](C(C)C)[C@H](C(C)=O)C(C)C 136917354 343982403 /nfs/dbraw/zinc/98/24/03/343982403.db2.gz YNJBURGZLQLQNE-RYUDHWBXSA-N 0 0 198.306 2.709 10 0 AFAERN C/C=C/N(C)c1ccccc1 137091322 343983780 /nfs/dbraw/zinc/98/37/80/343983780.db2.gz PQLYMBYHXLITPO-YCRREMRBSA-N 0 0 147.221 2.656 10 0 AFAERN CC(C)OC(=O)Nc1ccsc1 137050376 343983849 /nfs/dbraw/zinc/98/38/49/343983849.db2.gz YWMLAVTVQMSPBB-UHFFFAOYSA-N 0 0 185.248 2.705 10 0 AFAERN C=C=C(C)Cc1ccccc1 137068721 343983873 /nfs/dbraw/zinc/98/38/73/343983873.db2.gz YWFVKXVLZJWFQV-UHFFFAOYSA-N 0 0 144.217 2.960 10 0 AFAERN O[C@H](c1ccccc1)[C@H]1C=CCC1 137300060 343984519 /nfs/dbraw/zinc/98/45/19/343984519.db2.gz BSOVLMYJFMOKCA-NWDGAFQWSA-N 0 0 174.243 2.686 10 0 AFAERN CCOC(=O)[C@@H](C)CC(C)(C)C 137280254 343984571 /nfs/dbraw/zinc/98/45/71/343984571.db2.gz VRMZGUKRQVZNCO-QMMMGPOBSA-N 0 0 172.268 2.622 10 0 AFAERN CCC(CC)n1nccc1Cl 137312872 343984578 /nfs/dbraw/zinc/98/45/78/343984578.db2.gz ALQFMESENFLKMR-UHFFFAOYSA-N 0 0 172.659 2.898 10 0 AFAERN CCOC(=O)[C@H](C)CC(C)(C)C 137280301 343984585 /nfs/dbraw/zinc/98/45/85/343984585.db2.gz VRMZGUKRQVZNCO-MRVPVSSYSA-N 0 0 172.268 2.622 10 0 AFAERN CC[C@@H](C)n1nccc1Cl 137312751 343984627 /nfs/dbraw/zinc/98/46/27/343984627.db2.gz UFTYQKNLQMJQLY-ZCFIWIBFSA-N 0 0 158.632 2.508 10 0 AFAERN CC[C@H](C)n1nccc1Cl 137312797 343984647 /nfs/dbraw/zinc/98/46/47/343984647.db2.gz UFTYQKNLQMJQLY-LURJTMIESA-N 0 0 158.632 2.508 10 0 AFAERN C[C@H](C1CC1)n1nccc1Cl 137313110 343984654 /nfs/dbraw/zinc/98/46/54/343984654.db2.gz FOIREMFBOUAPJX-ZCFIWIBFSA-N 0 0 170.643 2.508 10 0 AFAERN C[C@@H](C1CC1)n1nccc1Cl 137313051 343984710 /nfs/dbraw/zinc/98/47/10/343984710.db2.gz FOIREMFBOUAPJX-LURJTMIESA-N 0 0 170.643 2.508 10 0 AFAERN Cc1ccccc1[C@@H]1CC=CO1 137386941 343985120 /nfs/dbraw/zinc/98/51/20/343985120.db2.gz SQXFITIFOQUACS-NSHDSACASA-N 0 0 160.216 2.970 10 0 AFAERN Cc1cc(N)c2nccc(Cl)c2c1 137365998 343985139 /nfs/dbraw/zinc/98/51/39/343985139.db2.gz IDEDMYRFAAGOFC-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN ONc1ccc(C(F)(F)F)cc1 137571172 343986197 /nfs/dbraw/zinc/98/61/97/343986197.db2.gz NTAIXIGXKYZIKV-UHFFFAOYSA-N 0 0 177.125 2.507 10 0 AFAERN O=NC(=C1C=C[NH2+]C=C1)c1ccccc1 137566806 343986242 /nfs/dbraw/zinc/98/62/42/343986242.db2.gz WBIXKUJMSMRRKP-UHFFFAOYSA-N 0 0 198.225 2.795 10 0 AFAERN CPC1CCCCC1 137611137 343986302 /nfs/dbraw/zinc/98/63/02/343986302.db2.gz LZHZWOQYIORILC-UHFFFAOYSA-N 0 0 130.171 2.627 10 0 AFAERN C/C=C/c1ccc(F)cc1 137625666 343986441 /nfs/dbraw/zinc/98/64/41/343986441.db2.gz ISSQWNWNKKUUAA-NSCUHMNNSA-N 0 0 136.169 2.859 10 0 AFAERN CC12C=CCC1(C)CC=C2 137549080 343986446 /nfs/dbraw/zinc/98/64/46/343986446.db2.gz YRKSAKSEHNZLSN-UHFFFAOYSA-N 0 0 134.222 2.919 10 0 AFAERN CCOC(OCC)c1ccccc1F 137838221 343986688 /nfs/dbraw/zinc/98/66/88/343986688.db2.gz DSGICWTVLDTZPX-UHFFFAOYSA-N 0 0 198.237 2.897 10 0 AFAERN Cc1cc(C(F)(F)F)cc(C)n1 137729747 343986883 /nfs/dbraw/zinc/98/68/83/343986883.db2.gz VXROUMWEJBCDBZ-UHFFFAOYSA-N 0 0 175.153 2.717 10 0 AFAERN CO[C@H](C)/C=C/c1ccccc1 137992738 343987709 /nfs/dbraw/zinc/98/77/09/343987709.db2.gz FEQIPECZADYPJN-AAXQSMANSA-N 0 0 162.232 2.735 10 0 AFAERN O=C1CC[C@H]1Sc1ccccc1 137993897 343987768 /nfs/dbraw/zinc/98/77/68/343987768.db2.gz OQQAQUSBTQZQTP-SNVBAGLBSA-N 0 0 178.256 2.510 10 0 AFAERN CCc1cc(C)c(OC)c(C)c1 137977851 343987834 /nfs/dbraw/zinc/98/78/34/343987834.db2.gz HUOGEGJVWGDLJX-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN O=C1CC[C@@H]1Sc1ccccc1 137993982 343987857 /nfs/dbraw/zinc/98/78/57/343987857.db2.gz OQQAQUSBTQZQTP-JTQLQIEISA-N 0 0 178.256 2.510 10 0 AFAERN Cc1ccc(C(=O)C(C)C)c(C)n1 138010501 343987869 /nfs/dbraw/zinc/98/78/69/343987869.db2.gz SYMCLUIVATYZMR-UHFFFAOYSA-N 0 0 177.247 2.537 10 0 AFAERN CO[C@@H](C)/C=C/c1ccccc1 137992678 343987871 /nfs/dbraw/zinc/98/78/71/343987871.db2.gz FEQIPECZADYPJN-DDXVTDLHSA-N 0 0 162.232 2.735 10 0 AFAERN C=C/C=C/CC(C)C 138039103 343988202 /nfs/dbraw/zinc/98/82/02/343988202.db2.gz AUCQVQFHIGLGIC-AATRIKPKSA-N 0 0 110.200 2.775 10 0 AFAERN Cc1coc(-c2cccc(F)c2)n1 138056811 343988224 /nfs/dbraw/zinc/98/82/24/343988224.db2.gz AFYFPIPOORLTAW-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN S=c1cccc2[nH]cccc1-2 138172018 343988372 /nfs/dbraw/zinc/98/83/72/343988372.db2.gz QEYQMGRPZBVWBE-UHFFFAOYSA-N 0 0 161.229 2.849 10 0 AFAERN CC(C)=C/C=C(/CO)C(C)C 138200938 343988492 /nfs/dbraw/zinc/98/84/92/343988492.db2.gz KSLUZZGREJITQP-POHAHGRESA-N 0 0 154.253 2.527 10 0 AFAERN C(Cc1ccccc1)=C1CC1 138263848 343988522 /nfs/dbraw/zinc/98/85/22/343988522.db2.gz IKDCPVUDGQFWSX-UHFFFAOYSA-N 0 0 144.217 2.949 10 0 AFAERN Cc1cc(F)cc(C)c1C 138271028 343988579 /nfs/dbraw/zinc/98/85/79/343988579.db2.gz UXSXDXAQKQEYIJ-UHFFFAOYSA-N 0 0 138.185 2.751 10 0 AFAERN CSCc1cc(F)cc(F)c1 138401066 343988881 /nfs/dbraw/zinc/98/88/81/343988881.db2.gz BHOHTCQWJDKZBW-UHFFFAOYSA-N 0 0 174.215 2.828 10 0 AFAERN CCCc1c(C)cccc1N 138548258 343989307 /nfs/dbraw/zinc/98/93/07/343989307.db2.gz YZBCFUBPJUOHHL-UHFFFAOYSA-N 0 0 149.237 2.530 10 0 AFAERN COc1ccc(/C=C/F)cc1 138562886 343989371 /nfs/dbraw/zinc/98/93/71/343989371.db2.gz BVBLWWZTZWLTHF-VOTSOKGWSA-N 0 0 152.168 2.635 10 0 AFAERN COc1cccc2c1C=C(C)[C@@H]2OC 138505901 343989472 /nfs/dbraw/zinc/98/94/72/343989472.db2.gz FBBHIKDRCVAVOR-LBPRGKRZSA-N 0 0 190.242 2.800 10 0 AFAERN CC1=C(C)Nc2ccccc2N1 138520540 343989518 /nfs/dbraw/zinc/98/95/18/343989518.db2.gz UIAOKEXQMWXIPX-UHFFFAOYSA-N 0 0 160.220 2.775 10 0 AFAERN COc1cccc2c1C=C(C)[C@H]2OC 138505782 343989546 /nfs/dbraw/zinc/98/95/46/343989546.db2.gz FBBHIKDRCVAVOR-GFCCVEGCSA-N 0 0 190.242 2.800 10 0 AFAERN c1ccc2c(c1)Cn1cccc1-2 138778125 343990283 /nfs/dbraw/zinc/99/02/83/343990283.db2.gz AALIDCXRQMFBAL-UHFFFAOYSA-N 0 0 155.200 2.517 10 0 AFAERN CC(=O)N[C@H](C)c1ccc(C)c(C)c1 138812148 343990295 /nfs/dbraw/zinc/99/02/95/343990295.db2.gz UVZUXFUXIMXYEJ-SNVBAGLBSA-N 0 0 191.274 2.501 10 0 AFAERN Cc1cc(C=O)ccc1-c1ccccn1 138804691 343990298 /nfs/dbraw/zinc/99/02/98/343990298.db2.gz CTZZJVLEBHBDKW-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN OCc1cccc2cc(Cl)ccc12 138815640 343990424 /nfs/dbraw/zinc/99/04/24/343990424.db2.gz RTJSUDUPMDLQNR-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN CC1=C[C@@H](c2ccccc2)OC1 138784387 343990504 /nfs/dbraw/zinc/99/05/04/343990504.db2.gz BHIRLSBQCZZEOO-NSHDSACASA-N 0 0 160.216 2.704 10 0 AFAERN CC1=C[C@H](c2ccccc2)OC1 138784261 343990591 /nfs/dbraw/zinc/99/05/91/343990591.db2.gz BHIRLSBQCZZEOO-LLVKDONJSA-N 0 0 160.216 2.704 10 0 AFAERN c1ccc2c(c1)Nc1ncccc1O2 138821519 343990610 /nfs/dbraw/zinc/99/06/10/343990610.db2.gz YQGNQKVPOUDUEP-UHFFFAOYSA-N 0 0 184.198 2.931 10 0 AFAERN c1ccc(CNc2ccsn2)cc1 138962058 343991374 /nfs/dbraw/zinc/99/13/74/343991374.db2.gz HRTBAGIISPWBNV-UHFFFAOYSA-N 0 0 190.271 2.755 10 0 AFAERN O=Nc1cccc2cccnc12 138948732 343991382 /nfs/dbraw/zinc/99/13/82/343991382.db2.gz SAXOCLPIPSXXCA-UHFFFAOYSA-N 0 0 158.160 2.633 10 0 AFAERN Cc1cc(F)c2ccccc2n1 139033830 343992474 /nfs/dbraw/zinc/99/24/74/343992474.db2.gz IHACCDXTDLQSJM-UHFFFAOYSA-N 0 0 161.179 2.682 10 0 AFAERN C=C(OCC)c1ccccc1 139012036 343992003 /nfs/dbraw/zinc/99/20/03/343992003.db2.gz PDNJMHZLMGTCDU-UHFFFAOYSA-N 0 0 148.205 2.694 10 0 AFAERN CCCSc1ccc(N)c(NC)c1 139009090 343992103 /nfs/dbraw/zinc/99/21/03/343992103.db2.gz ANRYEILJIDMXQU-UHFFFAOYSA-N 0 0 196.319 2.813 10 0 AFAERN CCCCC(=O)C[C@H](O)CCCC 139076272 343992500 /nfs/dbraw/zinc/99/25/00/343992500.db2.gz IGYHBFPKYFVVBT-SNVBAGLBSA-N 0 0 186.295 2.687 10 0 AFAERN C[C@H]1CC(=O)C[C@H](C)C1(C)C 139026743 343992641 /nfs/dbraw/zinc/99/26/41/343992641.db2.gz FPQCSNJAZDAIMF-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)=CCOC(=O)OCC(C)C 139066433 343992656 /nfs/dbraw/zinc/99/26/56/343992656.db2.gz SLRAULZVZRZURS-UHFFFAOYSA-N 0 0 186.251 2.762 10 0 AFAERN C[C@@H]1OC(C)(C)O[C@H]1c1ccccc1 139089641 343992933 /nfs/dbraw/zinc/99/29/33/343992933.db2.gz XHBYNHZRKPAKRJ-GXSJLCMTSA-N 0 0 192.258 2.899 10 0 AFAERN CCc1ccc(C)c(O)c1C 139144315 343992939 /nfs/dbraw/zinc/99/29/39/343992939.db2.gz DRNBTKBRWOSYSD-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN C#Cc1cc(Cl)ccc1OCC=C 139129359 343992944 /nfs/dbraw/zinc/99/29/44/343992944.db2.gz ZDBHLWXGZRVKOV-UHFFFAOYSA-N 0 0 192.645 2.886 10 0 AFAERN CCc1cccn1C(=O)OC(C)(C)C 139145512 343992947 /nfs/dbraw/zinc/99/29/47/343992947.db2.gz VMVZDGFTBVBQIF-UHFFFAOYSA-N 0 0 195.262 2.834 10 0 AFAERN C[C@@H]1OC(C)(C)O[C@@H]1c1ccccc1 139089772 343993165 /nfs/dbraw/zinc/99/31/65/343993165.db2.gz XHBYNHZRKPAKRJ-ONGXEEELSA-N 0 0 192.258 2.899 10 0 AFAERN CCC(CC)CC 139188933 343993485 /nfs/dbraw/zinc/99/34/85/343993485.db2.gz WSLVLTZIFRSYAW-UHFFFAOYSA-N 0 0 99.197 2.791 10 0 AFAERN Cc1cc(O)ccc1-c1cscn1 139286311 343993545 /nfs/dbraw/zinc/99/35/45/343993545.db2.gz QWZZKVQXNPQSQT-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc2ccccc2nc1F 139257080 343993619 /nfs/dbraw/zinc/99/36/19/343993619.db2.gz MCKJWIOUTFAZRA-UHFFFAOYSA-N 0 0 161.179 2.682 10 0 AFAERN Oc1ccc(-c2cscn2)c(F)c1 139286069 343993835 /nfs/dbraw/zinc/99/38/35/343993835.db2.gz XJXJAKANYJZWKA-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CCCCC/C(C)=C/CO 139226234 343993873 /nfs/dbraw/zinc/99/38/73/343993873.db2.gz NPMCAXBLYVUWTC-VQHVLOKHSA-N 0 0 142.242 2.505 10 0 AFAERN C(=C\n1cccn1)\c1ccccc1 139363734 343994111 /nfs/dbraw/zinc/99/41/11/343994111.db2.gz INVOCYBNCFNAMD-YFHOEESVSA-N 0 0 170.215 2.511 10 0 AFAERN CO/C=C/CCc1ccccc1 139375186 343994482 /nfs/dbraw/zinc/99/44/82/343994482.db2.gz SAFFQUSOFQZBNS-UXBLZVDNSA-N 0 0 162.232 2.779 10 0 AFAERN Cc1cc(C)c(F)c(F)c1 139460786 343994784 /nfs/dbraw/zinc/99/47/84/343994784.db2.gz GPHHVUOLHZANSW-UHFFFAOYSA-N 0 0 142.148 2.582 10 0 AFAERN CCOc1c(F)ccc(F)c1F 139483624 343994806 /nfs/dbraw/zinc/99/48/06/343994806.db2.gz RKWMPJUNWUDORD-UHFFFAOYSA-N 0 0 176.137 2.503 10 0 AFAERN C1=C2CCCC2=CCC1 139423042 343994858 /nfs/dbraw/zinc/99/48/58/343994858.db2.gz APICHXWAWIFJJP-UHFFFAOYSA-N 0 0 120.195 2.817 10 0 AFAERN CCOc1cc(F)cc(F)c1F 139482831 343994865 /nfs/dbraw/zinc/99/48/65/343994865.db2.gz PCDLXGZPHNNERP-UHFFFAOYSA-N 0 0 176.137 2.503 10 0 AFAERN CC(=O)c1ccc2c(c1)CC[C@@H](C)N2 139425310 343994902 /nfs/dbraw/zinc/99/49/02/343994902.db2.gz LUFRUTIWVVDXIW-MRVPVSSYSA-N 0 0 189.258 2.636 10 0 AFAERN CCOc1c(F)cc(F)cc1F 139483733 343994916 /nfs/dbraw/zinc/99/49/16/343994916.db2.gz IFKBZOFYKVPSMV-UHFFFAOYSA-N 0 0 176.137 2.503 10 0 AFAERN CCOc1ccc(F)c(F)c1F 139482690 343994919 /nfs/dbraw/zinc/99/49/19/343994919.db2.gz PLQXKFOZMZCLIE-UHFFFAOYSA-N 0 0 176.137 2.503 10 0 AFAERN CCN(CC)c1cccc(N)c1Cl 139737907 343996273 /nfs/dbraw/zinc/99/62/73/343996273.db2.gz XXSRSOZAIXESJR-UHFFFAOYSA-N 0 0 198.697 2.768 10 0 AFAERN CO/C=C/C1=CCCCC1 139805191 343996338 /nfs/dbraw/zinc/99/63/38/343996338.db2.gz OBSURRAANCYFMQ-BQYQJAHWSA-N 0 0 138.210 2.647 10 0 AFAERN CCCCCC=C=CCCO 139754487 343996343 /nfs/dbraw/zinc/99/63/43/343996343.db2.gz PNJYGTVPLGBMPN-UHFFFAOYSA-N 0 0 154.253 2.660 10 0 AFAERN CCOC(=O)CC/C=C\C(C)(C)C 139723770 343996359 /nfs/dbraw/zinc/99/63/59/343996359.db2.gz QBLMJNSFPVTGSN-CLFYSBASSA-N 0 0 184.279 2.932 10 0 AFAERN CC(C)(C)c1ccnc(F)c1 139843744 343996401 /nfs/dbraw/zinc/99/64/01/343996401.db2.gz MRAIDGBWVXPHAL-UHFFFAOYSA-N 0 0 153.200 2.518 10 0 AFAERN C/C=C/[C@@H](C(C)=O)c1ccccc1 139947581 343996809 /nfs/dbraw/zinc/99/68/09/343996809.db2.gz ORABAMUGJHHCCF-QBODLPLBSA-N 0 0 174.243 2.935 10 0 AFAERN C/C=C/[C@H](C(C)=O)c1ccccc1 139947874 343996886 /nfs/dbraw/zinc/99/68/86/343996886.db2.gz ORABAMUGJHHCCF-QDBLGGKGSA-N 0 0 174.243 2.935 10 0 AFAERN c1cc2ccc(N3CCCC3)cc2[nH]1 140003138 343997183 /nfs/dbraw/zinc/99/71/83/343997183.db2.gz LUIKIBSWOMGISW-UHFFFAOYSA-N 0 0 186.258 2.768 10 0 AFAERN C=C/C=C/P(=O)(OCC)OCC 140039827 343997785 /nfs/dbraw/zinc/99/77/85/343997785.db2.gz CIMBBEFERGFJOG-BQYQJAHWSA-N 0 0 190.179 2.952 10 0 AFAERN Oc1ccc(C(F)F)c(F)c1F 140081446 343997950 /nfs/dbraw/zinc/99/79/50/343997950.db2.gz DZXPOOJDKNMORZ-UHFFFAOYSA-N 0 0 180.100 2.608 10 0 AFAERN CCCc1cccc2c1CCC2=O 140061596 343997996 /nfs/dbraw/zinc/99/79/96/343997996.db2.gz DNWXDPCOVNDORK-UHFFFAOYSA-N 0 0 174.243 2.768 10 0 AFAERN CCOc1cc(CC)cc(C=O)c1F 140186351 343998209 /nfs/dbraw/zinc/99/82/09/343998209.db2.gz SJDQYPFNCHZSFN-UHFFFAOYSA-N 0 0 196.221 2.599 10 0 AFAERN C/C=C(\OC(C)=O)c1ccccc1 140184266 343998467 /nfs/dbraw/zinc/99/84/67/343998467.db2.gz SNCACWHNZMPXHV-JYOAFUTRSA-N 0 0 176.215 2.611 10 0 AFAERN C/C=C\c1ccccc1OC 140173455 343998611 /nfs/dbraw/zinc/99/86/11/343998611.db2.gz SQNQPRDLKOZZJK-UTCJRWHESA-N 0 0 148.205 2.728 10 0 AFAERN COC(=O)/C(C)=C(\C)c1ccccc1 140224159 343998929 /nfs/dbraw/zinc/99/89/29/343998929.db2.gz RKOOSGFSCYNTON-MDZDMXLPSA-N 0 0 190.242 2.653 10 0 AFAERN CC(C)(C)[C@@H](O)c1ncccc1Cl 140563496 344000412 /nfs/dbraw/zinc/00/04/12/344000412.db2.gz LVPLSQUWVFCBIN-VIFPVBQESA-N 0 0 199.681 2.815 10 0 AFAERN CC1=N[C@@H](Cc2ccccc2)CS1 140309230 343999553 /nfs/dbraw/zinc/99/95/53/343999553.db2.gz LIAYJYKOSOBXQB-NSHDSACASA-N 0 0 191.299 2.763 10 0 AFAERN C[C@@H](/C=C/c1ccccc1)CCO 140459553 343999960 /nfs/dbraw/zinc/99/99/60/343999960.db2.gz KPKLDTSJKNFABZ-AEZGRPFRSA-N 0 0 176.259 2.718 10 0 AFAERN Cc1cc(N2CCCCC2)ccc1O 140430282 343999994 /nfs/dbraw/zinc/99/99/94/343999994.db2.gz SCJVENAJIYSJTK-UHFFFAOYSA-N 0 0 191.274 2.691 10 0 AFAERN O=C1CCC(C2=CCCC2)CC1 140497479 344000570 /nfs/dbraw/zinc/00/05/70/344000570.db2.gz IHFWNEZRGXIJQD-UHFFFAOYSA-N 0 0 164.248 2.856 10 0 AFAERN CC(C)C/C=C/C(=O)n1cccc1 140484073 344000631 /nfs/dbraw/zinc/00/06/31/344000631.db2.gz NJBSMVAOHFRWCZ-FNORWQNLSA-N 0 0 177.247 2.731 10 0 AFAERN CC[C@@H](C)CCC(=O)OC(C)C 140488839 344000651 /nfs/dbraw/zinc/00/06/51/344000651.db2.gz AGZQJXRXEIXECV-SECBINFHSA-N 0 0 172.268 2.764 10 0 AFAERN CC(C)(C)[C@H](O)c1ncccc1Cl 140563328 344000654 /nfs/dbraw/zinc/00/06/54/344000654.db2.gz LVPLSQUWVFCBIN-SECBINFHSA-N 0 0 199.681 2.815 10 0 AFAERN CC[C@H](C)CCC(=O)OC(C)C 140488999 344000712 /nfs/dbraw/zinc/00/07/12/344000712.db2.gz AGZQJXRXEIXECV-VIFPVBQESA-N 0 0 172.268 2.764 10 0 AFAERN CCc1ccc(OC)c(C)c1C 140663553 344001046 /nfs/dbraw/zinc/00/10/46/344001046.db2.gz LJHYALSYBMAOIE-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN CCc1cc(N)cc(-c2cccnc2)c1 140699014 344000969 /nfs/dbraw/zinc/00/09/69/344000969.db2.gz UMRQEDFNPHUOHJ-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN C[C@@]12C=CC[C@]1(C)C=CC2 140767474 344001526 /nfs/dbraw/zinc/00/15/26/344001526.db2.gz HJRMFRRQOMWWFB-VHSXEESVSA-N 0 0 134.222 2.919 10 0 AFAERN Cc1ccc(C=O)cc1OC(C)C 140665606 344001280 /nfs/dbraw/zinc/00/12/80/344001280.db2.gz TXKBBYQIMCAOFX-UHFFFAOYSA-N 0 0 178.231 2.595 10 0 AFAERN C/C=C/[C@@H](OC)c1ccccc1 140707786 344001485 /nfs/dbraw/zinc/00/14/85/344001485.db2.gz SGUADOZKVVHBSI-CGAJTASUSA-N 0 0 162.232 2.950 10 0 AFAERN CCC/C=C/[C@@H](O)CCC 140771238 344001568 /nfs/dbraw/zinc/00/15/68/344001568.db2.gz AGJGJUGBPXOLEG-ORZBULNSSA-N 0 0 142.242 2.504 10 0 AFAERN C/C=C/[C@H](OC)c1ccccc1 140707410 344001590 /nfs/dbraw/zinc/00/15/90/344001590.db2.gz SGUADOZKVVHBSI-KTROKBFUSA-N 0 0 162.232 2.950 10 0 AFAERN CCC/C=C/[C@H](O)CCC 140771076 344001651 /nfs/dbraw/zinc/00/16/51/344001651.db2.gz AGJGJUGBPXOLEG-BNICOGTQSA-N 0 0 142.242 2.504 10 0 AFAERN COC(=O)CC(C)(C)C(C)(C)C 140833582 344002051 /nfs/dbraw/zinc/00/20/51/344002051.db2.gz AVMJZOYZNSRFTQ-UHFFFAOYSA-N 0 0 172.268 2.622 10 0 AFAERN Cc1ccc(COc2ccccn2)cc1 140904905 344002521 /nfs/dbraw/zinc/00/25/21/344002521.db2.gz DTSHZKKXCAWSHY-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN C[C@@H]1Cc2c(N)cccc2C1(C)C 140996092 344002920 /nfs/dbraw/zinc/00/29/20/344002920.db2.gz SGQHJNVKSKTWMR-MRVPVSSYSA-N 0 0 175.275 2.739 10 0 AFAERN C[C@H]1Cc2c(N)cccc2C1(C)C 140996283 344002988 /nfs/dbraw/zinc/00/29/88/344002988.db2.gz SGQHJNVKSKTWMR-QMMMGPOBSA-N 0 0 175.275 2.739 10 0 AFAERN Cc1c(Cl)cccc1/C=C/[N+](=O)[O-] 140976663 344003009 /nfs/dbraw/zinc/00/30/09/344003009.db2.gz LEFLHUWDKHUDEZ-AATRIKPKSA-N 0 0 197.621 2.896 10 0 AFAERN Cc1cc(N)ccc1O[C@@H](C)C1CC1 141014976 344003146 /nfs/dbraw/zinc/00/31/46/344003146.db2.gz FRTYOUVKOCOGLE-VIFPVBQESA-N 0 0 191.274 2.755 10 0 AFAERN C/C=C/C=C/C=C/C=C/C=C/CO 141089754 344003598 /nfs/dbraw/zinc/00/35/98/344003598.db2.gz KWOLFZADZKBNBW-GNUNTXLASA-N 0 0 176.259 2.780 10 0 AFAERN CCc1ccc(F)c(F)c1C 141043107 344003767 /nfs/dbraw/zinc/00/37/67/344003767.db2.gz CCUMOQHAPKPUGD-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN C[C@H](CO)C[C@@H]1CCC[C@@H](C)C1 141152621 344003916 /nfs/dbraw/zinc/00/39/16/344003916.db2.gz SPEXRACZSGHLPK-OUAUKWLOSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@H](CO)C[C@H]1CCC[C@@H](C)C1 141152810 344004291 /nfs/dbraw/zinc/00/42/91/344004291.db2.gz SPEXRACZSGHLPK-VWYCJHECSA-N 0 0 170.296 2.831 10 0 AFAERN CSc1c(F)cccc1F 141169546 344004318 /nfs/dbraw/zinc/00/43/18/344004318.db2.gz NEAPSYZUBNNAIH-UHFFFAOYSA-N 0 0 160.188 2.687 10 0 AFAERN O=C1CCCc2c(O)cc(Cl)cc21 141275248 344004588 /nfs/dbraw/zinc/00/45/88/344004588.db2.gz IITUCZUPLXMFEK-UHFFFAOYSA-N 0 0 196.633 2.565 10 0 AFAERN CCn1ccc2ccc(C)cc21 141291627 344004596 /nfs/dbraw/zinc/00/45/96/344004596.db2.gz CXKQODFPNATMCI-UHFFFAOYSA-N 0 0 159.232 2.970 10 0 AFAERN Cc1ccc2occ(Cl)c2n1 141248382 344004656 /nfs/dbraw/zinc/00/46/56/344004656.db2.gz WCYUWUJWLTVMQX-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN CCCCN(O)Cc1ccccc1 141230935 344004850 /nfs/dbraw/zinc/00/48/50/344004850.db2.gz ACWCQIQHTRHBRE-UHFFFAOYSA-N 0 0 179.263 2.678 10 0 AFAERN Cn1ccc(C2CCSCC2)c1 141369984 344005303 /nfs/dbraw/zinc/00/53/03/344005303.db2.gz PBWXBIJJCYHCHF-UHFFFAOYSA-N 0 0 181.304 2.636 10 0 AFAERN C/C(=C\c1ccccc1)N=O 141456502 344005813 /nfs/dbraw/zinc/00/58/13/344005813.db2.gz KHXTWHHTJXLFHI-BQYQJAHWSA-N 0 0 147.177 2.814 10 0 AFAERN CC(=O)c1cc(F)c(C)cc1Cl 141436214 344005895 /nfs/dbraw/zinc/00/58/95/344005895.db2.gz DXRUXMOJBJBCKW-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN CC(C)=CCSc1cnccn1 141401481 344005948 /nfs/dbraw/zinc/00/59/48/344005948.db2.gz AIUGCEOEHYBGGK-UHFFFAOYSA-N 0 0 180.276 2.535 10 0 AFAERN CCCC(=O)c1cccc(N)c1C 141499011 344006449 /nfs/dbraw/zinc/00/64/49/344006449.db2.gz KKSQRCQNZKMQJL-UHFFFAOYSA-N 0 0 177.247 2.560 10 0 AFAERN Cc1cccc(CC(F)(F)F)c1O 141590666 344007006 /nfs/dbraw/zinc/00/70/06/344007006.db2.gz YUUIOFCCVNKUCN-UHFFFAOYSA-N 0 0 190.164 2.805 10 0 AFAERN CC(C)c1nc(Cl)nc(C(C)C)n1 141648321 344007407 /nfs/dbraw/zinc/00/74/07/344007407.db2.gz RNMRSDKOMVPCDJ-UHFFFAOYSA-N 0 0 199.685 2.772 10 0 AFAERN CCn1ccc2c(F)cccc21 141694684 344007787 /nfs/dbraw/zinc/00/77/87/344007787.db2.gz YUUURTDNNDLJBT-UHFFFAOYSA-N 0 0 163.195 2.800 10 0 AFAERN CCc1cnc(-c2ccncc2)s1 141713673 344007810 /nfs/dbraw/zinc/00/78/10/344007810.db2.gz AXRDTCHWMYWVNE-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN CSc1ncc(Cl)s1 141716641 344007838 /nfs/dbraw/zinc/00/78/38/344007838.db2.gz HAVIFYSNODCJIE-UHFFFAOYSA-N 0 0 165.670 2.518 10 0 AFAERN CCCN(C)C(=O)[C@@H](C)C(C)(C)C 141769672 344008157 /nfs/dbraw/zinc/00/81/57/344008157.db2.gz CSMGGNUUTVOWJV-SECBINFHSA-N 0 0 185.311 2.537 10 0 AFAERN COC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 141828932 344008250 /nfs/dbraw/zinc/00/82/50/344008250.db2.gz CNEHSGHOTFXTAZ-OUAUKWLOSA-N 0 0 196.290 2.766 10 0 AFAERN CCc1cc(F)cc(F)c1F 141776362 344008331 /nfs/dbraw/zinc/00/83/31/344008331.db2.gz ICRRFTQBXSYZPR-UHFFFAOYSA-N 0 0 160.138 2.666 10 0 AFAERN CC(C)(C)N1CCC[C@@H]1C(F)(F)F 141819579 344008378 /nfs/dbraw/zinc/00/83/78/344008378.db2.gz XFXHHOXEAULIQJ-SSDOTTSWSA-N 0 0 195.228 2.812 10 0 AFAERN Cc1cc([N+](=O)[O-])cc(Cl)c1C 141798027 344008405 /nfs/dbraw/zinc/00/84/05/344008405.db2.gz MVCOZQHAVNWKGK-UHFFFAOYSA-N 0 0 185.610 2.865 10 0 AFAERN CC1(C)CCC[C@@]2(C)C[C@H](O)C=C12 141796257 344008406 /nfs/dbraw/zinc/00/84/06/344008406.db2.gz DEKKZNMPMOJJEG-SKDRFNHKSA-N 0 0 180.291 2.894 10 0 AFAERN CCCN(C)C(=O)[C@H](C)C(C)(C)C 141769887 344008434 /nfs/dbraw/zinc/00/84/34/344008434.db2.gz CSMGGNUUTVOWJV-VIFPVBQESA-N 0 0 185.311 2.537 10 0 AFAERN CC(C)Oc1ccc2c(c1)CCC2 141896676 344008748 /nfs/dbraw/zinc/00/87/48/344008748.db2.gz WUHHUMSEKVZHGR-UHFFFAOYSA-N 0 0 176.259 2.963 10 0 AFAERN COCCn1ccc2ccc(C)cc21 141901805 344008771 /nfs/dbraw/zinc/00/87/71/344008771.db2.gz XVFKWKFBVCTEDY-UHFFFAOYSA-N 0 0 189.258 2.596 10 0 AFAERN Cc1ccc(CC(C)C)c(O)c1 141921508 344009114 /nfs/dbraw/zinc/00/91/14/344009114.db2.gz RFEAIQVYTIOUQQ-UHFFFAOYSA-N 0 0 164.248 2.899 10 0 AFAERN C=Cc1ccc(Cl)c(O)c1 141982242 344009273 /nfs/dbraw/zinc/00/92/73/344009273.db2.gz LNBSEDOPAQAILA-UHFFFAOYSA-N 0 0 154.596 2.689 10 0 AFAERN Fc1ccc(COC(F)(F)F)cc1 141969719 344009314 /nfs/dbraw/zinc/00/93/14/344009314.db2.gz GKRNPSRAGVBSPZ-UHFFFAOYSA-N 0 0 194.127 2.862 10 0 AFAERN CCC(=O)[C@H]1C[C@@H](C)C=C[C@H]1C 141960862 344009391 /nfs/dbraw/zinc/00/93/91/344009391.db2.gz JHSUNTFLFIJGIJ-AEJSXWLSSA-N 0 0 166.264 2.814 10 0 AFAERN COc1c(F)cc(F)c(F)c1Cl 142033917 344009669 /nfs/dbraw/zinc/00/96/69/344009669.db2.gz JEOPAALUKILMEI-UHFFFAOYSA-N 0 0 196.555 2.766 10 0 AFAERN CC(C)[C@H]1CCN[C@@H](C(F)(F)F)C1 142041709 344009708 /nfs/dbraw/zinc/00/97/08/344009708.db2.gz AXCHQYHCGPLQMT-JGVFFNPUSA-N 0 0 195.228 2.573 10 0 AFAERN C/C=C\C[C@H](CC)C(C)=O 142019626 344009729 /nfs/dbraw/zinc/00/97/29/344009729.db2.gz RBYKBTJYPPAYDR-RNEXMXFGSA-N 0 0 140.226 2.568 10 0 AFAERN CC(C)[C@@H]1CCN[C@@H](C(F)(F)F)C1 142041523 344009805 /nfs/dbraw/zinc/00/98/05/344009805.db2.gz AXCHQYHCGPLQMT-HTQZYQBOSA-N 0 0 195.228 2.573 10 0 AFAERN CC(C)[C@@H]1CCN[C@H](C(F)(F)F)C1 142041124 344009822 /nfs/dbraw/zinc/00/98/22/344009822.db2.gz AXCHQYHCGPLQMT-SFYZADRCSA-N 0 0 195.228 2.573 10 0 AFAERN CC(C)[C@H]1CCN[C@H](C(F)(F)F)C1 142041326 344009873 /nfs/dbraw/zinc/00/98/73/344009873.db2.gz AXCHQYHCGPLQMT-YUMQZZPRSA-N 0 0 195.228 2.573 10 0 AFAERN C/C=C\C[C@@H](CC)C(C)=O 142019830 344009909 /nfs/dbraw/zinc/00/99/09/344009909.db2.gz RBYKBTJYPPAYDR-XTULLQBASA-N 0 0 140.226 2.568 10 0 AFAERN OCc1c(Cl)ccc2ccccc12 142147076 344010361 /nfs/dbraw/zinc/01/03/61/344010361.db2.gz UBLKDXZTHKEBCC-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN COc1cnc(F)c2cc(F)ccc12 142132978 344010405 /nfs/dbraw/zinc/01/04/05/344010405.db2.gz OCGLICGSFYWCMW-UHFFFAOYSA-N 0 0 195.168 2.522 10 0 AFAERN CCc1cnc(-c2ccccn2)s1 142119346 344010428 /nfs/dbraw/zinc/01/04/28/344010428.db2.gz ROJUQDNQMHTIER-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN OCc1cccc2c(Cl)cccc12 142201901 344010842 /nfs/dbraw/zinc/01/08/42/344010842.db2.gz BQALHAXQVKEIOY-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN COc1c(Cl)ccc(N)c1Cl 142209405 344010942 /nfs/dbraw/zinc/01/09/42/344010942.db2.gz LBKHSJKYDUMPIK-UHFFFAOYSA-N 0 0 192.045 2.584 10 0 AFAERN Cc1cc(O)c(C)c2ccncc12 142251123 344011202 /nfs/dbraw/zinc/01/12/02/344011202.db2.gz NYTQVSGBHOAPHP-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN CC(C)(C#N)c1ccc(Cl)nc1 142264241 344011273 /nfs/dbraw/zinc/01/12/73/344011273.db2.gz OLSZBCJEVUIQNV-UHFFFAOYSA-N 0 0 180.638 2.536 10 0 AFAERN Cc1ccccc1[C@H]1CC=CO1 142294851 344011616 /nfs/dbraw/zinc/01/16/16/344011616.db2.gz SQXFITIFOQUACS-LLVKDONJSA-N 0 0 160.216 2.970 10 0 AFAERN CCNc1ccc(C)c(CC)c1 142377938 344011783 /nfs/dbraw/zinc/01/17/83/344011783.db2.gz ASZJYWPBNNYFTF-UHFFFAOYSA-N 0 0 163.264 2.989 10 0 AFAERN CCc1cc(F)c(C)cc1F 142402764 344012526 /nfs/dbraw/zinc/01/25/26/344012526.db2.gz ASFVRJCUGUHIAH-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN COCSC1CCCCC1 142395830 344012620 /nfs/dbraw/zinc/01/26/20/344012620.db2.gz DKLUDNKEVOCYII-UHFFFAOYSA-N 0 0 160.282 2.656 10 0 AFAERN CC1(C)CCc2ccc(C=O)cc2O1 142417549 344012702 /nfs/dbraw/zinc/01/27/02/344012702.db2.gz YBOYSAPIYLFSMD-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN CCOc1cc(C)c(OC)cc1C 142525111 344012969 /nfs/dbraw/zinc/01/29/69/344012969.db2.gz HPBWKDRZKCPMSR-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN CC(=O)OC/C=C/c1cccc(C)c1 142488719 344012986 /nfs/dbraw/zinc/01/29/86/344012986.db2.gz XVEWKDGOIJFJLN-QPJJXVBHSA-N 0 0 190.242 2.571 10 0 AFAERN Cc1cc(C(C)(C)C)cnc1C 142490992 344013009 /nfs/dbraw/zinc/01/30/09/344013009.db2.gz QBGDRUKBJIFPSX-UHFFFAOYSA-N 0 0 163.264 2.996 10 0 AFAERN COc1cnc(F)c2ccc(F)cc12 142587393 344013272 /nfs/dbraw/zinc/01/32/72/344013272.db2.gz YSRHAEABRMRKDI-UHFFFAOYSA-N 0 0 195.168 2.522 10 0 AFAERN COc1cc(CC(C)C)ccc1O 142608052 344013342 /nfs/dbraw/zinc/01/33/42/344013342.db2.gz PQJWLYTVVDVQLY-UHFFFAOYSA-N 0 0 180.247 2.599 10 0 AFAERN CCCCCC[C@H]1NN1CCCC 142546787 344013367 /nfs/dbraw/zinc/01/33/67/344013367.db2.gz PTDUTZNNFMVFQM-AMGKYWFPSA-N 0 0 184.327 2.903 10 0 AFAERN CCCCC/C=C/C=C/COC(N)=O 142696291 344014083 /nfs/dbraw/zinc/01/40/83/344014083.db2.gz ICICRMXNTCCNKS-BLHCBFLLSA-N 0 0 197.278 2.774 10 0 AFAERN Cc1ncoc1-c1nc2ccccc2[nH]1 142721941 344014421 /nfs/dbraw/zinc/01/44/21/344014421.db2.gz VHDLRWFERYJKBS-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN C/C(=C\[N+](=O)[O-])c1cccc(Cl)c1 142771998 344014605 /nfs/dbraw/zinc/01/46/05/344014605.db2.gz QAAPSWCQZSSQAU-VOTSOKGWSA-N 0 0 197.621 2.978 10 0 AFAERN Cc1ccc(/C=C\F)cc1 142952009 344015742 /nfs/dbraw/zinc/01/57/42/344015742.db2.gz DPXOWRLGAQKREY-SREVYHEPSA-N 0 0 136.169 2.935 10 0 AFAERN Cc1ccc(/C=C/F)cc1 142952215 344015905 /nfs/dbraw/zinc/01/59/05/344015905.db2.gz DPXOWRLGAQKREY-VOTSOKGWSA-N 0 0 136.169 2.935 10 0 AFAERN C[C@@H]1CC(=O)c2ccc(F)cc2C1 142983861 344015981 /nfs/dbraw/zinc/01/59/81/344015981.db2.gz IDDIWNYNOICKOH-ZETCQYMHSA-N 0 0 178.206 2.591 10 0 AFAERN C[N@@H+]1CCCCC[C@H]1c1ccccn1 143019364 344015985 /nfs/dbraw/zinc/01/59/85/344015985.db2.gz RTAYRRLXJXJDBM-LBPRGKRZSA-N 0 0 190.290 2.629 10 0 AFAERN Nc1ccc(F)c(F)c1C(F)(F)F 143031053 344016032 /nfs/dbraw/zinc/01/60/32/344016032.db2.gz ZBPNNTFVCSXZTN-UHFFFAOYSA-N 0 0 197.106 2.566 10 0 AFAERN C[C@H]1CC(=O)c2ccc(F)cc2C1 142984085 344016115 /nfs/dbraw/zinc/01/61/15/344016115.db2.gz IDDIWNYNOICKOH-SSDOTTSWSA-N 0 0 178.206 2.591 10 0 AFAERN C[N@@H+]1CCCCC[C@@H]1c1ccccn1 143019171 344016177 /nfs/dbraw/zinc/01/61/77/344016177.db2.gz RTAYRRLXJXJDBM-GFCCVEGCSA-N 0 0 190.290 2.629 10 0 AFAERN CC(=O)[C@H](C)n1ccc2ccccc21 143119892 344016596 /nfs/dbraw/zinc/01/65/96/344016596.db2.gz RYGPQUUMGIWAPP-VIFPVBQESA-N 0 0 187.242 2.791 10 0 AFAERN CC(=O)[C@@H](C)n1ccc2ccccc21 143119677 344016622 /nfs/dbraw/zinc/01/66/22/344016622.db2.gz RYGPQUUMGIWAPP-SECBINFHSA-N 0 0 187.242 2.791 10 0 AFAERN Fc1ccccc1Cc1nccs1 143087322 344016759 /nfs/dbraw/zinc/01/67/59/344016759.db2.gz IHSFCHMSFUCZCS-UHFFFAOYSA-N 0 0 193.246 2.873 10 0 AFAERN Cc1cc(C(F)(F)F)cc(F)n1 143195812 344017206 /nfs/dbraw/zinc/01/72/06/344017206.db2.gz FCMIBLSGDPAPRD-UHFFFAOYSA-N 0 0 179.116 2.548 10 0 AFAERN O=Cc1cnccc1Nc1ccccc1 143162488 344017249 /nfs/dbraw/zinc/01/72/49/344017249.db2.gz WIQQASKLLYBPSX-UHFFFAOYSA-N 0 0 198.225 2.638 10 0 AFAERN Cc1c(Cl)cc(NN)cc1Cl 143147921 344017375 /nfs/dbraw/zinc/01/73/75/344017375.db2.gz QNQFQUZPABJURE-UHFFFAOYSA-N 0 0 191.061 2.587 10 0 AFAERN CCc1cc(Cl)cc(C)n1 143232396 344017643 /nfs/dbraw/zinc/01/76/43/344017643.db2.gz FJQTWFQMFVRADA-UHFFFAOYSA-N 0 0 155.628 2.606 10 0 AFAERN CCc1cc(C=O)c(C)cc1C 143230608 344017676 /nfs/dbraw/zinc/01/76/76/344017676.db2.gz DZMQORPFNCNRPK-UHFFFAOYSA-N 0 0 162.232 2.678 10 0 AFAERN CC(C)c1ncc(Cl)s1 143273024 344017693 /nfs/dbraw/zinc/01/76/93/344017693.db2.gz QJGAEMVYBOUKQI-UHFFFAOYSA-N 0 0 161.657 2.920 10 0 AFAERN CC1(C)CCOc2c(C=O)cccc21 143280208 344017878 /nfs/dbraw/zinc/01/78/78/344017878.db2.gz HJMJLFCQXGKZBZ-UHFFFAOYSA-N 0 0 190.242 2.559 10 0 AFAERN CCCCCC[C@H]1C[C@H]1CO 143240192 344017966 /nfs/dbraw/zinc/01/79/66/344017966.db2.gz NJDBYPOLUVLNGL-UWVGGRQHSA-N 0 0 156.269 2.585 10 0 AFAERN COc1cc(C)c2ncccc2c1 143342074 344018107 /nfs/dbraw/zinc/01/81/07/344018107.db2.gz IXFLLXNVBFMFJP-UHFFFAOYSA-N 0 0 173.215 2.552 10 0 AFAERN CCOC(=O)/C=C(/F)c1ccccc1 143317169 344018222 /nfs/dbraw/zinc/01/82/22/344018222.db2.gz GTEFUNGKPJHLGC-CSKARUKUSA-N 0 0 194.205 2.560 10 0 AFAERN Cc1cc(-c2ccc[nH]2)ccc1O 143298142 344018254 /nfs/dbraw/zinc/01/82/54/344018254.db2.gz WREXGWJFSPEERC-UHFFFAOYSA-N 0 0 173.215 2.696 10 0 AFAERN Cc1ccc(-c2ncc(C)s2)nc1 143384480 344018764 /nfs/dbraw/zinc/01/87/64/344018764.db2.gz AQKNLZOXIXYPHK-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CC(C)(C)CCC1OCCCO1 143366212 344018810 /nfs/dbraw/zinc/01/88/10/344018810.db2.gz PPFOORHRQSZBMV-UHFFFAOYSA-N 0 0 172.268 2.576 10 0 AFAERN C(=Cc1c[nH]cn1)c1ccsc1 143418217 344018814 /nfs/dbraw/zinc/01/88/14/344018814.db2.gz GSNRDZIOTOYSCZ-OWOJBTEDSA-N 0 0 176.244 2.642 10 0 AFAERN CC(C)Oc1ccc2c(n1)CCCC2 143408925 344018818 /nfs/dbraw/zinc/01/88/18/344018818.db2.gz HNXCXNYMQHRQCL-UHFFFAOYSA-N 0 0 191.274 2.748 10 0 AFAERN CSCc1cc(C)ccc1F 143425104 344018863 /nfs/dbraw/zinc/01/88/63/344018863.db2.gz CYOLZYVWRPZLPL-UHFFFAOYSA-N 0 0 170.252 2.997 10 0 AFAERN C/C=C/C[NH2+]Cc1cc(C)ccc1C 143474463 344019409 /nfs/dbraw/zinc/01/94/09/344019409.db2.gz DCPKQDRFWWJVNQ-SNAWJCMRSA-N 0 0 189.302 2.969 10 0 AFAERN Cc1ccoc1-c1nccs1 143534239 344019849 /nfs/dbraw/zinc/01/98/49/344019849.db2.gz RZBAKPPRCTUWBY-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN CCCc1cccc(C)c1N 143558836 344019979 /nfs/dbraw/zinc/01/99/79/344019979.db2.gz BKJHJIPJEBLCJS-UHFFFAOYSA-N 0 0 149.237 2.530 10 0 AFAERN CC(C)(C)CC(=O)N1CCCC1(C)C 143556878 344019985 /nfs/dbraw/zinc/01/99/85/344019985.db2.gz JJBTZEGETZUPFZ-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN Cc1c(F)cc(F)cc1Cl 143583896 344020195 /nfs/dbraw/zinc/02/01/95/344020195.db2.gz PXRRPCVQAZMNMN-UHFFFAOYSA-N 0 0 162.566 2.927 10 0 AFAERN CCCC/C=C\[C@H](O)C(C)C 143600920 344020295 /nfs/dbraw/zinc/02/02/95/344020295.db2.gz AUEQPIZSOLDCTM-DMEOUFDRSA-N 0 0 156.269 2.750 10 0 AFAERN CCCC/C=C\[C@@H](O)C(C)C 143600696 344020365 /nfs/dbraw/zinc/02/03/65/344020365.db2.gz AUEQPIZSOLDCTM-GQYWMQPJSA-N 0 0 156.269 2.750 10 0 AFAERN COC(C)(C)Cc1cccs1 143599157 344020547 /nfs/dbraw/zinc/02/05/47/344020547.db2.gz QTCGRSADHALRDL-UHFFFAOYSA-N 0 0 170.277 2.716 10 0 AFAERN CSCc1nc2ccccc2o1 143653234 344020999 /nfs/dbraw/zinc/02/09/99/344020999.db2.gz SQFWKVRTLIXBSB-UHFFFAOYSA-N 0 0 179.244 2.691 10 0 AFAERN CC(C)(C)Cc1cc(N)c(N)cc1F 143702642 344021599 /nfs/dbraw/zinc/02/15/99/344021599.db2.gz UQPXPSJRGQZGRF-UHFFFAOYSA-N 0 0 196.269 2.579 10 0 AFAERN CC1=C(C)C(C)(C)C=C1 143806363 344021926 /nfs/dbraw/zinc/02/19/26/344021926.db2.gz FZQSOBIGZJECPN-UHFFFAOYSA-N 0 0 122.211 2.919 10 0 AFAERN CC[C@H]1CCc2ccccc2O1 143775541 344021946 /nfs/dbraw/zinc/02/19/46/344021946.db2.gz CTHZQSCBKROLEN-JTQLQIEISA-N 0 0 162.232 2.790 10 0 AFAERN CC[C@@H]1CCc2ccccc2O1 143775331 344022090 /nfs/dbraw/zinc/02/20/90/344022090.db2.gz CTHZQSCBKROLEN-SNVBAGLBSA-N 0 0 162.232 2.790 10 0 AFAERN CCc1cc(C)c(F)cc1F 143813162 344022444 /nfs/dbraw/zinc/02/24/44/344022444.db2.gz MLUVYULTMVYMEE-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN CCc1cnc(CC(C)C)s1 143843386 344022528 /nfs/dbraw/zinc/02/25/28/344022528.db2.gz JHZPVYOLCPZKGO-UHFFFAOYSA-N 0 0 169.293 2.904 10 0 AFAERN Cc1cccc(C(F)(F)F)c1C=O 143820016 344022543 /nfs/dbraw/zinc/02/25/43/344022543.db2.gz DDZJYBCRNHBSEJ-UHFFFAOYSA-N 0 0 188.148 2.826 10 0 AFAERN CC(C)[C@@H]1CC[C@H](C)CCO1 143927760 344022878 /nfs/dbraw/zinc/02/28/78/344022878.db2.gz TYXDRMGIXMWUMV-UWVGGRQHSA-N 0 0 156.269 2.848 10 0 AFAERN Oc1cccc(C2=CCCC2)c1 143885439 344022904 /nfs/dbraw/zinc/02/29/04/344022904.db2.gz PVKIAOYQOWGYRW-UHFFFAOYSA-N 0 0 160.216 2.960 10 0 AFAERN CC(C)[C@H]1CC[C@@H](C)CCO1 143927569 344022928 /nfs/dbraw/zinc/02/29/28/344022928.db2.gz TYXDRMGIXMWUMV-NXEZZACHSA-N 0 0 156.269 2.848 10 0 AFAERN CC(C)(C)c1ccc(=S)[nH]c1 143881306 344023013 /nfs/dbraw/zinc/02/30/13/344023013.db2.gz XAECLWUGBNJLLQ-UHFFFAOYSA-N 0 0 167.277 2.668 10 0 AFAERN CC(C)[C@@H]1CC[C@@H](C)CCO1 143927388 344023016 /nfs/dbraw/zinc/02/30/16/344023016.db2.gz TYXDRMGIXMWUMV-ZJUUUORDSA-N 0 0 156.269 2.848 10 0 AFAERN COc1ccc(C2CCOCC2)cc1 143924919 344023093 /nfs/dbraw/zinc/02/30/93/344023093.db2.gz MIDSUXBLOVBJQG-UHFFFAOYSA-N 0 0 192.258 2.589 10 0 AFAERN Cc1cc2ccnc(C)c2s1 143915375 344023083 /nfs/dbraw/zinc/02/30/83/344023083.db2.gz MADHDNKFWXJPEF-UHFFFAOYSA-N 0 0 163.245 2.913 10 0 AFAERN Cc1cc(C2CC2)sc1C=O 143939762 344023235 /nfs/dbraw/zinc/02/32/35/344023235.db2.gz MDBFGQAOMTXONN-UHFFFAOYSA-N 0 0 166.245 2.746 10 0 AFAERN CCOc1ccc(F)c(C)c1F 143936908 344023297 /nfs/dbraw/zinc/02/32/97/344023297.db2.gz UCDQZIPYILXPEO-UHFFFAOYSA-N 0 0 172.174 2.672 10 0 AFAERN Nc1ccc(Cl)cc1C(F)F 143939764 344023370 /nfs/dbraw/zinc/02/33/70/344023370.db2.gz BYUMXSZWNJWOAQ-UHFFFAOYSA-N 0 0 177.581 2.860 10 0 AFAERN Cc1cc(C=O)sc1C(C)C 143937703 344023523 /nfs/dbraw/zinc/02/35/23/344023523.db2.gz LEQAUVWTHNDTIN-UHFFFAOYSA-N 0 0 168.261 2.992 10 0 AFAERN Cc1cc(C(=O)NC(C)(C)C)cs1 144060151 344023990 /nfs/dbraw/zinc/02/39/90/344023990.db2.gz XLOVBNRZIINTCF-UHFFFAOYSA-N 0 0 197.303 2.585 10 0 AFAERN Cc1ccc(F)c(Cl)c1C#N 144114144 344024376 /nfs/dbraw/zinc/02/43/76/344024376.db2.gz SLPHGFNFBDSWPJ-UHFFFAOYSA-N 0 0 169.586 2.659 10 0 AFAERN Cn1nccc1C1=CCCC1(C)C 144124163 344024618 /nfs/dbraw/zinc/02/46/18/344024618.db2.gz PLWSCZRQIMMRCC-UHFFFAOYSA-N 0 0 176.263 2.624 10 0 AFAERN Cn1nccc1C1=CCC(F)(F)CC1 144115724 344024666 /nfs/dbraw/zinc/02/46/66/344024666.db2.gz IYDRJYDDIJGKEN-UHFFFAOYSA-N 0 0 198.216 2.623 10 0 AFAERN Cc1c(Cl)cc(F)cc1C=O 144161114 344024930 /nfs/dbraw/zinc/02/49/30/344024930.db2.gz DFZPPSVGWXVUMK-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN CCC(=C=CCO)c1ccccc1 144191895 344025173 /nfs/dbraw/zinc/02/51/73/344025173.db2.gz OVAZTGGRIKASEW-UHFFFAOYSA-N 0 0 174.243 2.627 10 0 AFAERN Nc1ncccc1C1=CCCCC1 144224792 344025238 /nfs/dbraw/zinc/02/52/38/344025238.db2.gz CYJHZKGYARMLKX-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN COc1ccc2ccsc2c1OC 144295096 344025585 /nfs/dbraw/zinc/02/55/85/344025585.db2.gz AACNBVDIZNQAQL-UHFFFAOYSA-N 0 0 194.255 2.919 10 0 AFAERN CC(C)(C)c1c(F)cc(N)cc1F 144293617 344025651 /nfs/dbraw/zinc/02/56/51/344025651.db2.gz ZOHPJLMWSJHZRU-UHFFFAOYSA-N 0 0 185.217 2.845 10 0 AFAERN Cc1cc(CSC(C)C)no1 144270719 344025865 /nfs/dbraw/zinc/02/58/65/344025865.db2.gz PQZIKJLHOUGBAJ-UHFFFAOYSA-N 0 0 171.265 2.625 10 0 AFAERN CC[C@H](C)c1ccnc(Cl)n1 144360342 344026045 /nfs/dbraw/zinc/02/60/45/344026045.db2.gz DPLIKOGKHRLZEF-LURJTMIESA-N 0 0 170.643 2.644 10 0 AFAERN COc1ccc(-c2cncs2)cc1 144340664 344026036 /nfs/dbraw/zinc/02/60/36/344026036.db2.gz TWNCDXLRCDUJOC-UHFFFAOYSA-N 0 0 191.255 2.819 10 0 AFAERN CC[C@@H](C)c1ccnc(Cl)n1 144360125 344026157 /nfs/dbraw/zinc/02/61/57/344026157.db2.gz DPLIKOGKHRLZEF-ZCFIWIBFSA-N 0 0 170.643 2.644 10 0 AFAERN Nc1cc(C2=CCCCC2)ccn1 144335134 344026198 /nfs/dbraw/zinc/02/61/98/344026198.db2.gz IBQJHJOJHYAWLU-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN Cc1c(O)ccc2nccc(Cl)c12 144336188 344026231 /nfs/dbraw/zinc/02/62/31/344026231.db2.gz KMXYKSKXUXSYJM-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Nc1cc(C(F)(F)F)cc(F)c1F 144366192 344026583 /nfs/dbraw/zinc/02/65/83/344026583.db2.gz JMOXBHNZZGLTGO-UHFFFAOYSA-N 0 0 197.106 2.566 10 0 AFAERN CCc1cc(Cl)c(N)cc1C 144399193 344026750 /nfs/dbraw/zinc/02/67/50/344026750.db2.gz IFHGERBUBCTZJH-UHFFFAOYSA-N 0 0 169.655 2.793 10 0 AFAERN COc1ccc2c(O)cccc2c1F 144466657 344026953 /nfs/dbraw/zinc/02/69/53/344026953.db2.gz RBSXNSQLTFIRSQ-UHFFFAOYSA-N 0 0 192.189 2.693 10 0 AFAERN c1ccc2c(c1)CCc1cccnc1C2 144455257 344027072 /nfs/dbraw/zinc/02/70/72/344027072.db2.gz VSXAGIHWDDTIQP-UHFFFAOYSA-N 0 0 195.265 2.771 10 0 AFAERN CCCCC/C=C1\[C@H]2CCOC(=O)N12 144493554 344027391 /nfs/dbraw/zinc/02/73/91/344027391.db2.gz FDZACAUUUVBWOR-HXOCVZGISA-N 0 0 195.262 2.675 10 0 AFAERN CC(=O)c1sccc1C(F)(F)F 144512490 344027350 /nfs/dbraw/zinc/02/73/50/344027350.db2.gz YTCAYPWWNZKDJQ-UHFFFAOYSA-N 0 0 194.177 2.970 10 0 AFAERN CCc1nc2c(s1)CC[C@@H]2C 144557379 344027443 /nfs/dbraw/zinc/02/74/43/344027443.db2.gz BIRCDUZOQPIZIF-LURJTMIESA-N 0 0 167.277 2.755 10 0 AFAERN CCCCC/C=C1\[C@@H]2CCOC(=O)N12 144493179 344027570 /nfs/dbraw/zinc/02/75/70/344027570.db2.gz FDZACAUUUVBWOR-CNVHZQPBSA-N 0 0 195.262 2.675 10 0 AFAERN CCc1nc2c(s1)CC[C@H]2C 144557591 344027586 /nfs/dbraw/zinc/02/75/86/344027586.db2.gz BIRCDUZOQPIZIF-ZCFIWIBFSA-N 0 0 167.277 2.755 10 0 AFAERN CCC[C@H](C)C1(O)CCCC1 144624478 344028066 /nfs/dbraw/zinc/02/80/66/344028066.db2.gz RPWNRDORMVWZLV-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@H](C)C1(O)CCCC1 144624289 344028069 /nfs/dbraw/zinc/02/80/69/344028069.db2.gz RPWNRDORMVWZLV-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN CC1=CC[C@]2(C)CC[C@H]12 144608819 344028123 /nfs/dbraw/zinc/02/81/23/344028123.db2.gz YXNBVINUAHKUTR-RKDXNWHRSA-N 0 0 122.211 2.753 10 0 AFAERN Oc1cccc2cc(F)c(F)cc12 144565889 344028159 /nfs/dbraw/zinc/02/81/59/344028159.db2.gz QHRZDHSMAPYXQD-UHFFFAOYSA-N 0 0 180.153 2.824 10 0 AFAERN CCc1ccc2cc(C=O)ccc2n1 144601172 344028164 /nfs/dbraw/zinc/02/81/64/344028164.db2.gz OXBMBXUTTFPEHT-UHFFFAOYSA-N 0 0 185.226 2.610 10 0 AFAERN CC1=C(C)C[C@@](C)([C@H](C)O)CC1 144669979 344028318 /nfs/dbraw/zinc/02/83/18/344028318.db2.gz RDKUVUNECIYIGD-QWRGUYRKSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)O[S@](=S)C(C)(C)C 144657244 344028367 /nfs/dbraw/zinc/02/83/67/344028367.db2.gz JMQFHODSPMINOW-NSHDSACASA-N 0 0 194.365 2.595 10 0 AFAERN Cc1ccc(F)c(F)c1Cl 144652612 344028398 /nfs/dbraw/zinc/02/83/98/344028398.db2.gz IZOLXFFOAUITQE-UHFFFAOYSA-N 0 0 162.566 2.927 10 0 AFAERN CC1=C(C)C[C@](C)([C@H](C)O)CC1 144670345 344028415 /nfs/dbraw/zinc/02/84/15/344028415.db2.gz RDKUVUNECIYIGD-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)c1ccc(CO)s1 144662917 344028420 /nfs/dbraw/zinc/02/84/20/344028420.db2.gz DKGUBDRPXQETKC-UHFFFAOYSA-N 0 0 170.277 2.538 10 0 AFAERN CC1=C(C)C[C@@](C)([C@@H](C)O)CC1 144669757 344028447 /nfs/dbraw/zinc/02/84/47/344028447.db2.gz RDKUVUNECIYIGD-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN CC1=C(C)C[C@](C)([C@@H](C)O)CC1 144670171 344028587 /nfs/dbraw/zinc/02/85/87/344028587.db2.gz RDKUVUNECIYIGD-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN O=C1C[C@H]2CCCC[C@@H](C1)C2 144706941 344028924 /nfs/dbraw/zinc/02/89/24/344028924.db2.gz QEFLRRDCPNUYBA-DTORHVGOSA-N 0 0 152.237 2.546 10 0 AFAERN ClCCc1ccc(Cl)cn1 144741593 344029018 /nfs/dbraw/zinc/02/90/18/344029018.db2.gz YAYQHQMTSRGMOL-UHFFFAOYSA-N 0 0 176.046 2.516 10 0 AFAERN C=Cc1csc(C)c1 144735089 344029024 /nfs/dbraw/zinc/02/90/24/344029024.db2.gz JBGCJAUYNZHBTK-UHFFFAOYSA-N 0 0 124.208 2.700 10 0 AFAERN Nc1ccc(Cl)cc1-c1ccc[nH]1 144796132 344029286 /nfs/dbraw/zinc/02/92/86/344029286.db2.gz PAVBCWWMLZXEMY-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN O=Cc1ccccc1C1CC=CC1 144793708 344029423 /nfs/dbraw/zinc/02/94/23/344029423.db2.gz XGQIEYKWUWXCDN-UHFFFAOYSA-N 0 0 172.227 2.933 10 0 AFAERN Cc1ccc(O)c(OC(F)(F)F)c1 144851080 344029759 /nfs/dbraw/zinc/02/97/59/344029759.db2.gz VYKPGKSORFOPCA-UHFFFAOYSA-N 0 0 192.136 2.599 10 0 AFAERN CCc1ccn(C(=O)OC(C)(C)C)c1 144830614 344029821 /nfs/dbraw/zinc/02/98/21/344029821.db2.gz ILQJPIBGRLWHJV-UHFFFAOYSA-N 0 0 195.262 2.834 10 0 AFAERN Cc1nnc(C)c2cc(Cl)ccc12 144889705 344029849 /nfs/dbraw/zinc/02/98/49/344029849.db2.gz XJAMBTMBIAIQGM-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN F[C@H]1CCc2ccccc2C1 144871204 344029901 /nfs/dbraw/zinc/02/99/01/344029901.db2.gz FMHOLNUOIOYTAA-JTQLQIEISA-N 0 0 150.196 2.513 10 0 AFAERN CC(C)c1cc(N)nc2ccccc12 144879915 344029917 /nfs/dbraw/zinc/02/99/17/344029917.db2.gz YQIHWSBNLQNJAM-UHFFFAOYSA-N 0 0 186.258 2.940 10 0 AFAERN Cc1cccc(/C=C/C(C)(C)O)c1 145063835 344030922 /nfs/dbraw/zinc/03/09/22/344030922.db2.gz YQDRXVQUPWDMAE-BQYQJAHWSA-N 0 0 176.259 2.779 10 0 AFAERN CCN1CC2(CC2)c2ccccc21 145048735 344031012 /nfs/dbraw/zinc/03/10/12/344031012.db2.gz RJZMTWHBNWSBSW-UHFFFAOYSA-N 0 0 173.259 2.558 10 0 AFAERN CCCOc1cccc2[nH]ccc12 145141812 344031260 /nfs/dbraw/zinc/03/12/60/344031260.db2.gz SITYZQQEGUIZTH-UHFFFAOYSA-N 0 0 175.231 2.957 10 0 AFAERN OCc1ccc2ccccc2c1Cl 145165097 344031377 /nfs/dbraw/zinc/03/13/77/344031377.db2.gz XKAXRTVKXFLWLD-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN CC(C)(C)Nc1ccnc(Cl)c1 145099689 344031466 /nfs/dbraw/zinc/03/14/66/344031466.db2.gz YBMPEKZKZNJBNN-UHFFFAOYSA-N 0 0 184.670 2.945 10 0 AFAERN CCSc1ccc(C=O)s1 145155636 344031470 /nfs/dbraw/zinc/03/14/70/344031470.db2.gz CKQQALWOKHNMJE-UHFFFAOYSA-N 0 0 172.274 2.673 10 0 AFAERN C=Cc1cccc(Cl)c1C(=O)OC 145231475 344031740 /nfs/dbraw/zinc/03/17/40/344031740.db2.gz MXDDCSHWAVDSPO-UHFFFAOYSA-N 0 0 196.633 2.770 10 0 AFAERN CCn1ccc2c(OC)cccc21 145195021 344031763 /nfs/dbraw/zinc/03/17/63/344031763.db2.gz OJOQGOPJBIKMQD-UHFFFAOYSA-N 0 0 175.231 2.670 10 0 AFAERN Cc1cc(F)cc(-c2cncs2)n1 145189150 344031796 /nfs/dbraw/zinc/03/17/96/344031796.db2.gz GQNARDIUJWIGJM-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CCOC(=O)[C@@H]1CCCCC1(C)C 145231480 344031832 /nfs/dbraw/zinc/03/18/32/344031832.db2.gz FOSJRERXWKLZRK-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN CCOC(=O)[C@H]1CCCCC1(C)C 145231670 344031856 /nfs/dbraw/zinc/03/18/56/344031856.db2.gz FOSJRERXWKLZRK-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN C(=C/c1cnco1)\c1ccccc1 145240867 344031875 /nfs/dbraw/zinc/03/18/75/344031875.db2.gz QRTUJRODFOUHKT-VOTSOKGWSA-N 0 0 171.199 2.845 10 0 AFAERN CCOC(=O)C1=CCCCC1(C)C 145190720 344031942 /nfs/dbraw/zinc/03/19/42/344031942.db2.gz MRMYUXAGJBZLIX-UHFFFAOYSA-N 0 0 182.263 2.686 10 0 AFAERN ClCc1nc(Cl)cs1 145304816 344032388 /nfs/dbraw/zinc/03/23/88/344032388.db2.gz UOJOAKMCWHWVRF-UHFFFAOYSA-N 0 0 168.048 2.535 10 0 AFAERN COCCCCc1cccs1 145296724 344032402 /nfs/dbraw/zinc/03/24/02/344032402.db2.gz RJLSGWCHDCYMLN-UHFFFAOYSA-N 0 0 170.277 2.717 10 0 AFAERN CC(=O)N(C)c1ccccc1C(C)C 145331696 344032889 /nfs/dbraw/zinc/03/28/89/344032889.db2.gz MUNMWQFQVWKKPC-UHFFFAOYSA-N 0 0 191.274 2.793 10 0 AFAERN CC(C)CC(C)(C)F 145468084 344033170 /nfs/dbraw/zinc/03/31/70/344033170.db2.gz QDMGOZOMJYQJNR-UHFFFAOYSA-N 0 0 118.195 2.781 10 0 AFAERN OC/C=C\c1ccc2ccccc2c1 145420091 344033237 /nfs/dbraw/zinc/03/32/37/344033237.db2.gz UYJPHUXBZDSIGR-ARJAWSKDSA-N 0 0 184.238 2.845 10 0 AFAERN CCNC(=O)O[C@@H]1CCC[C@H](C)[C@@H]1C 145435073 344033484 /nfs/dbraw/zinc/03/34/84/344033484.db2.gz KJEUXWAMJDOJHV-LPEHRKFASA-N 0 0 199.294 2.557 10 0 AFAERN CCNC(=O)O[C@@H]1CCC[C@@H](C)[C@@H]1C 145435451 344033551 /nfs/dbraw/zinc/03/35/51/344033551.db2.gz KJEUXWAMJDOJHV-KXUCPTDWSA-N 0 0 199.294 2.557 10 0 AFAERN Cc1nc(C(C)(C)C)nc(C)c1C 145463083 344033562 /nfs/dbraw/zinc/03/35/62/344033562.db2.gz OQXZVDHNSIPOPF-UHFFFAOYSA-N 0 0 178.279 2.699 10 0 AFAERN C/C=C/[C@H](O)CCCc1ccccc1 145408031 344033566 /nfs/dbraw/zinc/03/35/66/344033566.db2.gz DBRNHFDXDQRQFZ-VRMVNXKISA-N 0 0 190.286 2.946 10 0 AFAERN Cc1ncccc1C(=O)C(C)(C)C 145460189 344033597 /nfs/dbraw/zinc/03/35/97/344033597.db2.gz FRJNSLZYETWPID-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1cc(C)cc(-c2cc[nH]n2)c1 145533860 344033897 /nfs/dbraw/zinc/03/38/97/344033897.db2.gz JDUXTIXIRQOHKF-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CCC(=O)N(c1ccccc1)C(C)C 145552123 344034408 /nfs/dbraw/zinc/03/44/08/344034408.db2.gz BXXYPSIZHJBXBB-UHFFFAOYSA-N 0 0 191.274 2.838 10 0 AFAERN CN(c1ccccc1)C1CCC1 145567508 344034639 /nfs/dbraw/zinc/03/46/39/344034639.db2.gz VWGNSKAAMJKBRB-UHFFFAOYSA-N 0 0 161.248 2.675 10 0 AFAERN CSc1ccc(C=O)c(Cl)c1 145667649 344034944 /nfs/dbraw/zinc/03/49/44/344034944.db2.gz CBUHPENNUNRKPJ-UHFFFAOYSA-N 0 0 186.663 2.874 10 0 AFAERN CCOc1c(F)cc(C)cc1F 145775282 344035388 /nfs/dbraw/zinc/03/53/88/344035388.db2.gz KIKMCUGOYWNQKN-UHFFFAOYSA-N 0 0 172.174 2.672 10 0 AFAERN CC[C@H](C)Nc1ccc(C=O)cc1 145707860 344035489 /nfs/dbraw/zinc/03/54/89/344035489.db2.gz NZETVQZHPCRDIU-VIFPVBQESA-N 0 0 177.247 2.710 10 0 AFAERN O=Cc1c(F)ccc(C2CC2)c1F 145741868 344035515 /nfs/dbraw/zinc/03/55/15/344035515.db2.gz DCOXZMSMOLSBMC-UHFFFAOYSA-N 0 0 182.169 2.655 10 0 AFAERN CC[C@@H](C)Nc1ccc(C=O)cc1 145707723 344035545 /nfs/dbraw/zinc/03/55/45/344035545.db2.gz NZETVQZHPCRDIU-SECBINFHSA-N 0 0 177.247 2.710 10 0 AFAERN Cc1ccc(-c2nccs2)nc1 145821630 344035926 /nfs/dbraw/zinc/03/59/26/344035926.db2.gz CKDIRKAUGVRDEZ-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1cc(C)c2nc(Cl)[nH]c2c1 145821289 344035962 /nfs/dbraw/zinc/03/59/62/344035962.db2.gz QYWIIIDTQUCWAF-UHFFFAOYSA-N 0 0 180.638 2.833 10 0 AFAERN Cc1cc([C@@H]([NH3+])C(C)(C)C)oc1C 145805553 344035993 /nfs/dbraw/zinc/03/59/93/344035993.db2.gz XDOORINFGYQYAP-SNVBAGLBSA-N 0 0 181.279 2.942 10 0 AFAERN Cc1cc([C@H]([NH3+])C(C)(C)C)oc1C 145805747 344036131 /nfs/dbraw/zinc/03/61/31/344036131.db2.gz XDOORINFGYQYAP-JTQLQIEISA-N 0 0 181.279 2.942 10 0 AFAERN CC(=O)N(c1ccccc1)C1CCC1 145883736 344036478 /nfs/dbraw/zinc/03/64/78/344036478.db2.gz RPMFKOVSVSNFOL-UHFFFAOYSA-N 0 0 189.258 2.592 10 0 AFAERN CCCc1nc2ccccn2c1CC 145907295 344036549 /nfs/dbraw/zinc/03/65/49/344036549.db2.gz PHNVKNLPDNMXKH-UHFFFAOYSA-N 0 0 188.274 2.849 10 0 AFAERN CCc1ccc(C(C)C)[nH]1 145866482 344036651 /nfs/dbraw/zinc/03/66/51/344036651.db2.gz LGSFUHPSKVXCMP-UHFFFAOYSA-N 0 0 137.226 2.701 10 0 AFAERN CCOCc1cc(F)cc(F)c1 145884419 344036752 /nfs/dbraw/zinc/03/67/52/344036752.db2.gz AJWXGJHODXYLTK-UHFFFAOYSA-N 0 0 172.174 2.501 10 0 AFAERN Oc1cccc(/C=C\c2cccnc2)c1 145885050 344036786 /nfs/dbraw/zinc/03/67/86/344036786.db2.gz KFWIZQFFKOCMCN-SREVYHEPSA-N 0 0 197.237 2.958 10 0 AFAERN Cc1nc(-c2cc3ccccc3[nH]2)no1 146029752 344037652 /nfs/dbraw/zinc/03/76/52/344037652.db2.gz BWRNFWQWCYWQRJ-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN C=Cc1cc(Cl)c2cccnc2n1 145998786 344037738 /nfs/dbraw/zinc/03/77/38/344037738.db2.gz UGROBIUTGAECIZ-UHFFFAOYSA-N 0 0 190.633 2.926 10 0 AFAERN Cc1ccc(N)cc1C(F)F 146132032 344038680 /nfs/dbraw/zinc/03/86/80/344038680.db2.gz XITJOZRWRKVMCL-UHFFFAOYSA-N 0 0 157.163 2.515 10 0 AFAERN OCC/C=C/c1ccccc1Cl 146151452 344038820 /nfs/dbraw/zinc/03/88/20/344038820.db2.gz AJSZLGXJNXBZQX-ZZXKWVIFSA-N 0 0 182.650 2.736 10 0 AFAERN COC(=O)Cc1cccc(C(C)C)c1 146126046 344039024 /nfs/dbraw/zinc/03/90/24/344039024.db2.gz WNGNOCUVKADDCT-UHFFFAOYSA-N 0 0 192.258 2.526 10 0 AFAERN CC(C)(C)N(O)c1ccccc1 146194406 344039499 /nfs/dbraw/zinc/03/94/99/344039499.db2.gz CDSRUAJKAUSFKD-UHFFFAOYSA-N 0 0 164.228 2.637 10 0 AFAERN Cc1cc(N)cc(C(F)F)c1 146205136 344039657 /nfs/dbraw/zinc/03/96/57/344039657.db2.gz GMNSSLDCIPZQBQ-UHFFFAOYSA-N 0 0 157.163 2.515 10 0 AFAERN CC(=O)OCC[C@]1(C)C=CCC1(C)C 146314174 344040039 /nfs/dbraw/zinc/04/00/39/344040039.db2.gz KNDWJOAQHRSASM-LBPRGKRZSA-N 0 0 196.290 2.932 10 0 AFAERN Cc1ccc2c(n1)oc1c(O)cccc12 146231745 344040093 /nfs/dbraw/zinc/04/00/93/344040093.db2.gz AZPLNXIXAQJLJJ-UHFFFAOYSA-N 0 0 199.209 2.995 10 0 AFAERN CC(=O)OCC[C@@]1(C)C=CCC1(C)C 146314371 344040106 /nfs/dbraw/zinc/04/01/06/344040106.db2.gz KNDWJOAQHRSASM-GFCCVEGCSA-N 0 0 196.290 2.932 10 0 AFAERN COc1cccc2c1oc1ncccc12 146225290 344040325 /nfs/dbraw/zinc/04/03/25/344040325.db2.gz PGNCERINVOBKAO-UHFFFAOYSA-N 0 0 199.209 2.990 10 0 AFAERN CNc1ccc(C(F)(F)F)s1 146505242 344040814 /nfs/dbraw/zinc/04/08/14/344040814.db2.gz UCMQARVFTKXZII-UHFFFAOYSA-N 0 0 181.182 2.809 10 0 AFAERN Cc1nc2cccc(C)c2nc1Cl 146556397 344041476 /nfs/dbraw/zinc/04/14/76/344041476.db2.gz REWSZUIXUUQRRX-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN CCc1csc(C(OC)OC)c1 146654271 344041579 /nfs/dbraw/zinc/04/15/79/344041579.db2.gz CFTZDFMXKSCSEI-UHFFFAOYSA-N 0 0 186.276 2.602 10 0 AFAERN CCCCCCOC(=O)C1CC1 146635936 344041683 /nfs/dbraw/zinc/04/16/83/344041683.db2.gz CHYCGNMYMRDZJE-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN OCc1ccc(C2CC2)c(Cl)c1 146798505 344042109 /nfs/dbraw/zinc/04/21/09/344042109.db2.gz VHEXPTFZQPGIGJ-UHFFFAOYSA-N 0 0 182.650 2.710 10 0 AFAERN Cc1cc2cccccc-2c1C=O 146805240 344042202 /nfs/dbraw/zinc/04/22/02/344042202.db2.gz BEYFIUDRAQBYIB-UHFFFAOYSA-N 0 0 170.211 2.912 10 0 AFAERN C=CC=CC1=CSC(=O)C1 146872823 344042798 /nfs/dbraw/zinc/04/27/98/344042798.db2.gz SXXPFIRWAPLYBW-ONEGZZNKSA-N 0 0 152.218 2.653 10 0 AFAERN CNc1ccc(-c2ccccc2)nc1 146820197 344042465 /nfs/dbraw/zinc/04/24/65/344042465.db2.gz YQTJNYFNCLPKSO-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN OCc1ccc(C2CC2)cc1Cl 146831518 344042514 /nfs/dbraw/zinc/04/25/14/344042514.db2.gz IFRLTOGPSLIABA-UHFFFAOYSA-N 0 0 182.650 2.710 10 0 AFAERN CC1(C)OC(c2ccco2)OC1(C)C 146922877 344042637 /nfs/dbraw/zinc/04/26/37/344042637.db2.gz VNZYYELMQZEKAT-UHFFFAOYSA-N 0 0 196.246 2.882 10 0 AFAERN CC(C)c1cccc2c1CCC(=O)C2 146912809 344042702 /nfs/dbraw/zinc/04/27/02/344042702.db2.gz JIJGURPHHJTLMJ-UHFFFAOYSA-N 0 0 188.270 2.868 10 0 AFAERN Cc1ccc(O)cc1OC(F)(F)F 146971648 344042718 /nfs/dbraw/zinc/04/27/18/344042718.db2.gz KKBOIPXCVWIHDL-UHFFFAOYSA-N 0 0 192.136 2.599 10 0 AFAERN CC(C)Sc1ncccc1F 147072643 344042995 /nfs/dbraw/zinc/04/29/95/344042995.db2.gz ZHWRQIREMHJSOM-UHFFFAOYSA-N 0 0 171.240 2.721 10 0 AFAERN Cc1cc(-c2cnn(C)c2)ccc1F 147079455 344043054 /nfs/dbraw/zinc/04/30/54/344043054.db2.gz BRCVIIBAQMKMKY-UHFFFAOYSA-N 0 0 190.221 2.535 10 0 AFAERN C=Cc1cccc(OC(F)F)c1 147215011 344043508 /nfs/dbraw/zinc/04/35/08/344043508.db2.gz JKYFWUUXTOIZEV-UHFFFAOYSA-N 0 0 170.158 2.931 10 0 AFAERN CC(C)c1nc(CC2CCC2)no1 147390959 344043634 /nfs/dbraw/zinc/04/36/34/344043634.db2.gz OPCJVTCWFCVWHA-UHFFFAOYSA-N 0 0 180.251 2.536 10 0 AFAERN N#C[C@@H](C=O)c1ccc2ccccc2c1 147398978 344043753 /nfs/dbraw/zinc/04/37/53/344043753.db2.gz PBAXMVNYQAVWDF-ZDUSSCGKSA-N 0 0 195.221 2.646 10 0 AFAERN Cc1ccc2ccc(F)c(C)c2n1 147230868 344043834 /nfs/dbraw/zinc/04/38/34/344043834.db2.gz FQTVQUQRFSHYCF-UHFFFAOYSA-N 0 0 175.206 2.991 10 0 AFAERN N#C[C@H](C=O)c1ccc2ccccc2c1 147398764 344043838 /nfs/dbraw/zinc/04/38/38/344043838.db2.gz PBAXMVNYQAVWDF-CYBMUJFWSA-N 0 0 195.221 2.646 10 0 AFAERN Cc1cc(C2CC2)cnc1C 147446453 344044144 /nfs/dbraw/zinc/04/41/44/344044144.db2.gz ZZEFRTHEVXBKJB-UHFFFAOYSA-N 0 0 147.221 2.576 10 0 AFAERN CCOC(=O)C/C=C/[C@H](C)CC 147541531 344044197 /nfs/dbraw/zinc/04/41/97/344044197.db2.gz NVKWOMMBTSAUJB-XCODYQFDSA-N 0 0 170.252 2.542 10 0 AFAERN CCOC(=O)C/C=C/[C@@H](C)CC 147542283 344044389 /nfs/dbraw/zinc/04/43/89/344044389.db2.gz NVKWOMMBTSAUJB-UCUJLANTSA-N 0 0 170.252 2.542 10 0 AFAERN C=C/C=C/c1cccs1 147400787 344044500 /nfs/dbraw/zinc/04/45/00/344044500.db2.gz GIYJWSOHUZOJBM-HWKANZROSA-N 0 0 136.219 2.947 10 0 AFAERN CC[C@H]1CCC(=O)N1c1ccccc1 147590353 344044515 /nfs/dbraw/zinc/04/45/15/344044515.db2.gz VMQFXJOTVNVXQK-JTQLQIEISA-N 0 0 189.258 2.592 10 0 AFAERN CC[C@@H]1CCC(=O)N1c1ccccc1 147590141 344044529 /nfs/dbraw/zinc/04/45/29/344044529.db2.gz VMQFXJOTVNVXQK-SNVBAGLBSA-N 0 0 189.258 2.592 10 0 AFAERN CCc1csc(-c2ccccn2)n1 147976219 344046173 /nfs/dbraw/zinc/04/61/73/344046173.db2.gz PCXINPYUNNOYMU-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN CC[C@H]1CC[C@@H](NC(=O)C(C)C)CC1 148056112 344047115 /nfs/dbraw/zinc/04/71/15/344047115.db2.gz GAZHLTFLTNUNLS-XYPYZODXSA-N 0 0 197.322 2.727 10 0 AFAERN CC(=O)c1ccc(Cl)c(F)c1C 148061319 344047600 /nfs/dbraw/zinc/04/76/00/344047600.db2.gz XZCGMKOVZYDKJB-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN CCCCCSCC[C@H](C)O 148096305 344047840 /nfs/dbraw/zinc/04/78/40/344047840.db2.gz AXZWUHVRABGPQL-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN CCCCCSCC[C@@H](C)O 148096121 344048269 /nfs/dbraw/zinc/04/82/69/344048269.db2.gz AXZWUHVRABGPQL-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN Cc1ccc(C2=CC[C@H](O)CC2)cc1 148123826 344048493 /nfs/dbraw/zinc/04/84/93/344048493.db2.gz XZGGDDZZXXXLGP-ZDUSSCGKSA-N 0 0 188.270 2.923 10 0 AFAERN CCCCNc1ccc(O)c(C)c1 148124502 344048895 /nfs/dbraw/zinc/04/88/95/344048895.db2.gz FVVFQXFNUMUNCQ-UHFFFAOYSA-N 0 0 179.263 2.913 10 0 AFAERN Cc1ccc(C2=CC[C@@H](O)CC2)cc1 148124024 344048904 /nfs/dbraw/zinc/04/89/04/344048904.db2.gz XZGGDDZZXXXLGP-CYBMUJFWSA-N 0 0 188.270 2.923 10 0 AFAERN Cc1cc(N[C@H](C)C2CC2)ccc1O 148207507 344050549 /nfs/dbraw/zinc/05/05/49/344050549.db2.gz PUAUEDCJANROTE-SECBINFHSA-N 0 0 191.274 2.911 10 0 AFAERN Cc1cc(N[C@@H](C)C2CC2)ccc1O 148207329 344050613 /nfs/dbraw/zinc/05/06/13/344050613.db2.gz PUAUEDCJANROTE-VIFPVBQESA-N 0 0 191.274 2.911 10 0 AFAERN Cc1c(N)cccc1C(F)F 148199602 344050787 /nfs/dbraw/zinc/05/07/87/344050787.db2.gz LXXWXYXPWXFTHQ-UHFFFAOYSA-N 0 0 157.163 2.515 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)OC(C)(C)C 148270422 344051948 /nfs/dbraw/zinc/05/19/48/344051948.db2.gz BNOMBGGZGQBXEU-DTWKUNHWSA-N 0 0 184.279 2.764 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)OC(C)(C)C 148270029 344051966 /nfs/dbraw/zinc/05/19/66/344051966.db2.gz BNOMBGGZGQBXEU-IUCAKERBSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@@H](C)Nc1ccc(O)c(C)c1 148244412 344052002 /nfs/dbraw/zinc/05/20/02/344052002.db2.gz YSTJGGGSZQLCGN-SECBINFHSA-N 0 0 179.263 2.911 10 0 AFAERN CC[C@H](C)Nc1ccc(O)c(C)c1 148244629 344052123 /nfs/dbraw/zinc/05/21/23/344052123.db2.gz YSTJGGGSZQLCGN-VIFPVBQESA-N 0 0 179.263 2.911 10 0 AFAERN CC(=O)N(C)[C@H](C)c1ccccc1C 148259424 344052169 /nfs/dbraw/zinc/05/21/69/344052169.db2.gz JHAUQYWFGPBOIP-SNVBAGLBSA-N 0 0 191.274 2.534 10 0 AFAERN CC(=O)N(C)[C@@H](C)c1ccccc1C 148259620 344052197 /nfs/dbraw/zinc/05/21/97/344052197.db2.gz JHAUQYWFGPBOIP-JTQLQIEISA-N 0 0 191.274 2.534 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)OC(C)(C)C 148270225 344052212 /nfs/dbraw/zinc/05/22/12/344052212.db2.gz BNOMBGGZGQBXEU-RKDXNWHRSA-N 0 0 184.279 2.764 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)OC(C)(C)C 148269843 344052286 /nfs/dbraw/zinc/05/22/86/344052286.db2.gz BNOMBGGZGQBXEU-BDAKNGLRSA-N 0 0 184.279 2.764 10 0 AFAERN CCOc1cc(C)cc(OC)c1C 148313849 344052470 /nfs/dbraw/zinc/05/24/70/344052470.db2.gz SPLKPJKONCQMOG-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN O=Cc1coc(-c2ccccc2)c1 148292759 344052699 /nfs/dbraw/zinc/05/26/99/344052699.db2.gz CYZGGODVUBZHMY-UHFFFAOYSA-N 0 0 172.183 2.759 10 0 AFAERN CCCNc1cccc(OC)c1OC 148343369 344053072 /nfs/dbraw/zinc/05/30/72/344053072.db2.gz BXFLVWRKXPSOEA-UHFFFAOYSA-N 0 0 195.262 2.526 10 0 AFAERN Cc1cc(NC2CCC2)ccc1O 148365896 344053766 /nfs/dbraw/zinc/05/37/66/344053766.db2.gz WATYPFDZQJAEOM-UHFFFAOYSA-N 0 0 177.247 2.665 10 0 AFAERN CC(C)c1nnc2n1CCCCCC2 148358134 344053849 /nfs/dbraw/zinc/05/38/49/344053849.db2.gz ZVPJDNTXZQIWDS-UHFFFAOYSA-N 0 0 193.294 2.518 10 0 AFAERN Cc1cc(NC(C)C)ccc1O 148354997 344053880 /nfs/dbraw/zinc/05/38/80/344053880.db2.gz ORTYQKBOVODCHQ-UHFFFAOYSA-N 0 0 165.236 2.521 10 0 AFAERN COC(=O)c1ccc2c(C)coc2c1 148481879 344054850 /nfs/dbraw/zinc/05/48/50/344054850.db2.gz VIICZVKGFHCHON-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN C=Cc1cc(OC)ccc1Cl 148444327 344054874 /nfs/dbraw/zinc/05/48/74/344054874.db2.gz LGGTWIHHDIQHPT-UHFFFAOYSA-N 0 0 168.623 2.992 10 0 AFAERN CCc1cc(C)c(O)cc1C 148462943 344054882 /nfs/dbraw/zinc/05/48/82/344054882.db2.gz MSMNUDLXOBSFQT-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN CCOCCCSC(C)C 148502223 344055217 /nfs/dbraw/zinc/05/52/17/344055217.db2.gz HEOQZEFRPOWYTJ-UHFFFAOYSA-N 0 0 162.298 2.555 10 0 AFAERN Cc1cc(C)cc(-c2coc(N)n2)c1 148529618 344055424 /nfs/dbraw/zinc/05/54/24/344055424.db2.gz OHABQJFUQWYZRP-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C=Cc1ccc(N)c(Cl)c1 148559742 344055968 /nfs/dbraw/zinc/05/59/68/344055968.db2.gz ODIJESUHKQCWDI-UHFFFAOYSA-N 0 0 153.612 2.565 10 0 AFAERN COC1(C(C)=O)CCC(C)(C)CC1 148625855 344056348 /nfs/dbraw/zinc/05/63/48/344056348.db2.gz FFQZEHFMUXIPOF-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC[C@H](C)OC(=O)CC 148594164 344056383 /nfs/dbraw/zinc/05/63/83/344056383.db2.gz XOZXPRSBNBCWRN-QMMMGPOBSA-N 0 0 158.241 2.518 10 0 AFAERN CCCCc1ccc(O)c(F)c1 148607770 344056394 /nfs/dbraw/zinc/05/63/94/344056394.db2.gz IIFZJCUEUOVHFO-UHFFFAOYSA-N 0 0 168.211 2.874 10 0 AFAERN Cc1cc(Cl)c2cccnc2c1O 148609591 344056399 /nfs/dbraw/zinc/05/63/99/344056399.db2.gz WERASJHQBKNNBO-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CCO[C@@]1(C(C)=O)CCC[C@H](C)C1 148647577 344056894 /nfs/dbraw/zinc/05/68/94/344056894.db2.gz VUHRMMUGHQHRAD-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN C[N@@H+]1CCC[C@@H](c2cccc(F)c2)C1 148673468 344056901 /nfs/dbraw/zinc/05/69/01/344056901.db2.gz GJHSFWOQUODKIX-LLVKDONJSA-N 0 0 193.265 2.635 10 0 AFAERN CCO[C@@]1(C(C)=O)CCC[C@@H](C)C1 148647945 344056939 /nfs/dbraw/zinc/05/69/39/344056939.db2.gz VUHRMMUGHQHRAD-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@]1(C(C)=O)CCC[C@H](C)C1 148647371 344057067 /nfs/dbraw/zinc/05/70/67/344057067.db2.gz VUHRMMUGHQHRAD-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1cccc([C@@H]2CCCC(=O)O2)c1 148656007 344057079 /nfs/dbraw/zinc/05/70/79/344057079.db2.gz IMYKBGQXPLSXFL-NSHDSACASA-N 0 0 190.242 2.763 10 0 AFAERN C[N@@H+]1CCC[C@H](c2cccc(F)c2)C1 148673263 344057098 /nfs/dbraw/zinc/05/70/98/344057098.db2.gz GJHSFWOQUODKIX-NSHDSACASA-N 0 0 193.265 2.635 10 0 AFAERN Cc1cccc([C@H]2CCCC(=O)O2)c1 148656203 344057155 /nfs/dbraw/zinc/05/71/55/344057155.db2.gz IMYKBGQXPLSXFL-LLVKDONJSA-N 0 0 190.242 2.763 10 0 AFAERN CCOC1(C(C)=O)CCC(C)(C)CC1 148643665 344057174 /nfs/dbraw/zinc/05/71/74/344057174.db2.gz GYHNIHAAVMYOMN-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@]1(C(C)=O)CCC[C@@H](C)C1 148647754 344057182 /nfs/dbraw/zinc/05/71/82/344057182.db2.gz VUHRMMUGHQHRAD-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)c1cccc(C(C)(C)C)n1 148669139 344057209 /nfs/dbraw/zinc/05/72/09/344057209.db2.gz ICLZQIRRIOZPKN-UHFFFAOYSA-N 0 0 177.247 2.582 10 0 AFAERN Cc1cncc(C(=O)C(C)(C)C)c1 148665418 344057215 /nfs/dbraw/zinc/05/72/15/344057215.db2.gz LPNMABHVCFCYLE-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN CCC(=O)C1(OC)CCC(C)(C)CC1 148690978 344057585 /nfs/dbraw/zinc/05/75/85/344057585.db2.gz UWEWLKQXMMDBKG-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)Nc1cncc(Cl)c1 148720731 344057616 /nfs/dbraw/zinc/05/76/16/344057616.db2.gz AOYNCEOYAFKPCL-UHFFFAOYSA-N 0 0 170.643 2.555 10 0 AFAERN Cc1cc(N)ccc1OCC1CCC1 148679593 344057620 /nfs/dbraw/zinc/05/76/20/344057620.db2.gz QDJKSQKFMDEMPT-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN Cc1cc(C)cc(-c2ccno2)c1 148681637 344057683 /nfs/dbraw/zinc/05/76/83/344057683.db2.gz VIUDXUAKNGJRCC-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CC(=O)[C@H](C)c1cc(C)cc(C)c1 148691561 344057739 /nfs/dbraw/zinc/05/77/39/344057739.db2.gz VYIGUMJCEXNQFE-JTQLQIEISA-N 0 0 176.259 2.996 10 0 AFAERN CCC(=O)C1(OC)CCCCCC1 148681507 344057817 /nfs/dbraw/zinc/05/78/17/344057817.db2.gz QVURTTLOPOUQMD-UHFFFAOYSA-N 0 0 184.279 2.705 10 0 AFAERN CC(=O)[C@@H](C)c1cc(C)cc(C)c1 148691757 344057973 /nfs/dbraw/zinc/05/79/73/344057973.db2.gz VYIGUMJCEXNQFE-SNVBAGLBSA-N 0 0 176.259 2.996 10 0 AFAERN C[C@@H]1CC[C@@H](CNc2ccsc2)O1 148781819 344058233 /nfs/dbraw/zinc/05/82/33/344058233.db2.gz FJQIHOVRGIERSJ-SCZZXKLOSA-N 0 0 197.303 2.728 10 0 AFAERN C[C@H]1CC[C@H](CNc2ccsc2)O1 148781646 344058365 /nfs/dbraw/zinc/05/83/65/344058365.db2.gz FJQIHOVRGIERSJ-WCBMZHEXSA-N 0 0 197.303 2.728 10 0 AFAERN C[C@@H]1CC[C@H](CNc2ccsc2)O1 148781424 344058421 /nfs/dbraw/zinc/05/84/21/344058421.db2.gz FJQIHOVRGIERSJ-PSASIEDQSA-N 0 0 197.303 2.728 10 0 AFAERN C[C@H]1CC[C@@H](CNc2ccsc2)O1 148782022 344058428 /nfs/dbraw/zinc/05/84/28/344058428.db2.gz FJQIHOVRGIERSJ-WPRPVWTQSA-N 0 0 197.303 2.728 10 0 AFAERN CC(C)=CCOc1ccc(N)cc1C 148799300 344058964 /nfs/dbraw/zinc/05/89/64/344058964.db2.gz DHPYTJBUGBGBPD-UHFFFAOYSA-N 0 0 191.274 2.922 10 0 AFAERN C[C@H](Cl)C(=O)c1ccsc1 148884386 344059530 /nfs/dbraw/zinc/05/95/30/344059530.db2.gz WODYPPUWBLNVQK-YFKPBYRVSA-N 0 0 174.652 2.558 10 0 AFAERN CCC[C@@H](Cl)c1nccn1C 148873403 344059531 /nfs/dbraw/zinc/05/95/31/344059531.db2.gz DDLIZUKUSMTVFJ-SSDOTTSWSA-N 0 0 172.659 2.500 10 0 AFAERN CCC[C@H](Cl)c1nccn1C 148873515 344059644 /nfs/dbraw/zinc/05/96/44/344059644.db2.gz DDLIZUKUSMTVFJ-ZETCQYMHSA-N 0 0 172.659 2.500 10 0 AFAERN C[C@@H](Cl)C(=O)c1ccsc1 148884546 344059841 /nfs/dbraw/zinc/05/98/41/344059841.db2.gz WODYPPUWBLNVQK-RXMQYKEDSA-N 0 0 174.652 2.558 10 0 AFAERN FCCSc1nc2ccccc2o1 148892048 344059887 /nfs/dbraw/zinc/05/98/87/344059887.db2.gz HAFGSYBVFPMVPV-UHFFFAOYSA-N 0 0 197.234 2.889 10 0 AFAERN Nc1ccc(C(F)F)c(Cl)c1 148929387 344060320 /nfs/dbraw/zinc/06/03/20/344060320.db2.gz NWRQRIIRKWTOKK-UHFFFAOYSA-N 0 0 177.581 2.860 10 0 AFAERN Cc1ccc(Cc2ccc(O)cc2)nc1 148895629 344060271 /nfs/dbraw/zinc/06/02/71/344060271.db2.gz PBKSRWNNMDYUQR-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN CC(=O)OC/C=C/c1ccccc1C 148919235 344060297 /nfs/dbraw/zinc/06/02/97/344060297.db2.gz QTGPEDFMTKVXBA-VMPITWQZSA-N 0 0 190.242 2.571 10 0 AFAERN CNc1cc(-c2ccccc2)ccc1N 148939648 344060383 /nfs/dbraw/zinc/06/03/83/344060383.db2.gz SGBQKCGVNKONBS-UHFFFAOYSA-N 0 0 198.269 2.978 10 0 AFAERN C/C=C(\C)OC(=O)c1ccccc1 148954433 344060509 /nfs/dbraw/zinc/06/05/09/344060509.db2.gz KADLBQXUUGTLOS-YCRREMRBSA-N 0 0 176.215 2.767 10 0 AFAERN CC(C)c1ccn(CC(F)(F)F)n1 149036477 344061174 /nfs/dbraw/zinc/06/11/74/344061174.db2.gz GZXVJJYKYONISX-UHFFFAOYSA-N 0 0 192.184 2.569 10 0 AFAERN Cc1c(F)cccc1C(=O)C1CC1 149008523 344061291 /nfs/dbraw/zinc/06/12/91/344061291.db2.gz RTRUNXHYWBVEQE-UHFFFAOYSA-N 0 0 178.206 2.727 10 0 AFAERN Cc1coc(-c2ccc(F)cc2)n1 148961776 344061337 /nfs/dbraw/zinc/06/13/37/344061337.db2.gz QXHSAZGNTPQJGS-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN CCCCc1csc(N(C)C)n1 149149554 344062331 /nfs/dbraw/zinc/06/23/31/344062331.db2.gz NQULRYSTTIINFR-UHFFFAOYSA-N 0 0 184.308 2.552 10 0 AFAERN CCCc1cccc(Cl)c1N 149130052 344062335 /nfs/dbraw/zinc/06/23/35/344062335.db2.gz IKIVWXHGEIHQKJ-UHFFFAOYSA-N 0 0 169.655 2.875 10 0 AFAERN CC(C)(C)[C@@H]1Cc2cc(N)ccc2N1 149109264 344062366 /nfs/dbraw/zinc/06/23/66/344062366.db2.gz BXNMGMLRHZDVHZ-NSHDSACASA-N 0 0 190.290 2.652 10 0 AFAERN CC(C)(C)[C@H]1Cc2cc(N)ccc2N1 149109484 344062395 /nfs/dbraw/zinc/06/23/95/344062395.db2.gz BXNMGMLRHZDVHZ-LLVKDONJSA-N 0 0 190.290 2.652 10 0 AFAERN Cc1ccc(-c2cc(F)ccc2N)o1 149126449 344062482 /nfs/dbraw/zinc/06/24/82/344062482.db2.gz RQZKYTRKZKBEKU-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1ccc(C)c(Cl)c1N 149103875 344062485 /nfs/dbraw/zinc/06/24/85/344062485.db2.gz QMKCEDOCNTUCAS-UHFFFAOYSA-N 0 0 155.628 2.539 10 0 AFAERN Cc1ccc(NC2CC2)c(F)c1 149109697 344062491 /nfs/dbraw/zinc/06/24/91/344062491.db2.gz QAZVWIVFOFVMJV-UHFFFAOYSA-N 0 0 165.211 2.708 10 0 AFAERN Nc1cccc(C2CC2)c1Cl 149174527 344062917 /nfs/dbraw/zinc/06/29/17/344062917.db2.gz BJFWDOSDNULACI-UHFFFAOYSA-N 0 0 167.639 2.800 10 0 AFAERN CC(C)=CCC(C)(C)COC=O 149249201 344063280 /nfs/dbraw/zinc/06/32/80/344063280.db2.gz XXSMUTAPXQBPHG-UHFFFAOYSA-N 0 0 170.252 2.542 10 0 AFAERN CCc1ccc2[nH]c(Cl)nc2c1 149265619 344063320 /nfs/dbraw/zinc/06/33/20/344063320.db2.gz LXQGSPAYFPDFBI-UHFFFAOYSA-N 0 0 180.638 2.779 10 0 AFAERN CCc1cc(F)c(OC)cc1F 149267597 344063731 /nfs/dbraw/zinc/06/37/31/344063731.db2.gz CWMJZBUWTFINRN-UHFFFAOYSA-N 0 0 172.174 2.536 10 0 AFAERN CCc1ccnn1-c1ccc(F)cc1 149325688 344064020 /nfs/dbraw/zinc/06/40/20/344064020.db2.gz WSDMKCDYSSFXAU-UHFFFAOYSA-N 0 0 190.221 2.574 10 0 AFAERN COc1cccc2[nH]cc(Cl)c12 149366715 344064477 /nfs/dbraw/zinc/06/44/77/344064477.db2.gz JFJQMPSJIKRAOV-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN Cc1ccc(C)c2cc(=O)[nH]cc12 149358821 344064598 /nfs/dbraw/zinc/06/45/98/344064598.db2.gz SUZZFGBHBSMSRL-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN CCOC(=O)/C=C/CCC=C(C)C 149373348 344064732 /nfs/dbraw/zinc/06/47/32/344064732.db2.gz LSVFMHBIUBAQTM-VQHVLOKHSA-N 0 0 182.263 2.852 10 0 AFAERN COc1ccc(C)c(OC(F)F)c1 149403147 344065156 /nfs/dbraw/zinc/06/51/56/344065156.db2.gz CJLAWKXSERCIEY-UHFFFAOYSA-N 0 0 188.173 2.605 10 0 AFAERN COc1ccc(OC(F)F)c(C)c1 149401645 344065389 /nfs/dbraw/zinc/06/53/89/344065389.db2.gz DLUQDHVFXBXRMC-UHFFFAOYSA-N 0 0 188.173 2.605 10 0 AFAERN CCc1nc2cscc2nc1CC 149432606 344065853 /nfs/dbraw/zinc/06/58/53/344065853.db2.gz MODYXDYSPNYCCK-UHFFFAOYSA-N 0 0 192.287 2.816 10 0 AFAERN CCCc1ccc(Cl)cc1N 149447346 344066156 /nfs/dbraw/zinc/06/61/56/344066156.db2.gz WLDQMSFTOOEUBB-UHFFFAOYSA-N 0 0 169.655 2.875 10 0 AFAERN Cc1ncc(-c2cccnc2)s1 149431196 344066276 /nfs/dbraw/zinc/06/62/76/344066276.db2.gz GAHZMALCHSPYML-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN CCCc1ccc(Cl)c(N)c1 149499709 344066661 /nfs/dbraw/zinc/06/66/61/344066661.db2.gz RIVSLLGKESTTMW-UHFFFAOYSA-N 0 0 169.655 2.875 10 0 AFAERN CC1(c2ncc(C=O)s2)CCCC1 149513408 344067084 /nfs/dbraw/zinc/06/70/84/344067084.db2.gz RKDGJPWEALTZQB-UHFFFAOYSA-N 0 0 195.287 2.787 10 0 AFAERN CC(C)(C)C(=O)[C@H]1CC1(C)C 149574901 344068009 /nfs/dbraw/zinc/06/80/09/344068009.db2.gz DJXVYBBSZBQDJO-SSDOTTSWSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(C)C(=O)[C@@H]1CC1(C)C 149574768 344068012 /nfs/dbraw/zinc/06/80/12/344068012.db2.gz DJXVYBBSZBQDJO-ZETCQYMHSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)CC(=O)N(C)C1(C)CCCC1 149590249 344068028 /nfs/dbraw/zinc/06/80/28/344068028.db2.gz LVYUMFJMENZFTI-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CC1(C)CCC[C@@]2(C)C[C@@H](O)C=C12 149573232 344068035 /nfs/dbraw/zinc/06/80/35/344068035.db2.gz DEKKZNMPMOJJEG-CABZTGNLSA-N 0 0 180.291 2.894 10 0 AFAERN Cc1cc(F)cc(C)c1F 149604510 344068520 /nfs/dbraw/zinc/06/85/20/344068520.db2.gz HQOMTRYADVOASJ-UHFFFAOYSA-N 0 0 142.148 2.582 10 0 AFAERN Cc1cc(Cl)cc(F)c1F 149605055 344068610 /nfs/dbraw/zinc/06/86/10/344068610.db2.gz SXURRQBSXDTYMR-UHFFFAOYSA-N 0 0 162.566 2.927 10 0 AFAERN CCCn1cc(N)c2cc(F)ccc21 149678327 344069577 /nfs/dbraw/zinc/06/95/77/344069577.db2.gz HMZSOZYJDSLCFZ-UHFFFAOYSA-N 0 0 192.237 2.773 10 0 AFAERN C1=CCC/C=C\CCC=1 149667786 344069612 /nfs/dbraw/zinc/06/96/12/344069612.db2.gz QNZNFKRCAMWGDS-UPHRSURJSA-N 0 0 120.195 2.828 10 0 AFAERN CCCc1cc(C#N)c(N)cc1Cl 149684660 344069638 /nfs/dbraw/zinc/06/96/38/344069638.db2.gz BDGGZOKKZBAUCM-UHFFFAOYSA-N 0 0 194.665 2.746 10 0 AFAERN Cc1cc(F)c(N)cc1C(F)(F)F 149761621 344070732 /nfs/dbraw/zinc/07/07/32/344070732.db2.gz PZDYEXQVBHVIQW-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN CCCc1ccc(F)c(OC)c1 149746534 344070812 /nfs/dbraw/zinc/07/08/12/344070812.db2.gz XPCGOJGKRUAYSL-UHFFFAOYSA-N 0 0 168.211 2.787 10 0 AFAERN CCCc1cc(Cl)ccc1N 149760092 344071059 /nfs/dbraw/zinc/07/10/59/344071059.db2.gz RCLZVYSDFAUKTD-UHFFFAOYSA-N 0 0 169.655 2.875 10 0 AFAERN CC(C)SCCCCCCO 149801093 344071541 /nfs/dbraw/zinc/07/15/41/344071541.db2.gz SYNWOSQWQLUXTL-UHFFFAOYSA-N 0 0 176.325 2.681 10 0 AFAERN CCCc1cc(N)cc(Cl)c1 149852125 344072042 /nfs/dbraw/zinc/07/20/42/344072042.db2.gz HLFWMRLZORCXAV-UHFFFAOYSA-N 0 0 169.655 2.875 10 0 AFAERN CCCc1ccc(C)cc1N 149819570 344072340 /nfs/dbraw/zinc/07/23/40/344072340.db2.gz WKNLQXPVJJYGLZ-UHFFFAOYSA-N 0 0 149.237 2.530 10 0 AFAERN Fc1cccc(NC2CC2)c1F 149869004 344072585 /nfs/dbraw/zinc/07/25/85/344072585.db2.gz NXPVWWUPPBTZKF-UHFFFAOYSA-N 0 0 169.174 2.539 10 0 AFAERN CC(C)c1ccccc1N[C@@H](C)CO 149866281 344072738 /nfs/dbraw/zinc/07/27/38/344072738.db2.gz WLVLXIPHHNDVBK-JTQLQIEISA-N 0 0 193.290 2.603 10 0 AFAERN CCC(O)(CC)c1ccnc(Cl)c1 149877717 344072765 /nfs/dbraw/zinc/07/27/65/344072765.db2.gz DRMHTZHXWLKDJO-UHFFFAOYSA-N 0 0 199.681 2.743 10 0 AFAERN CC(C)c1ccccc1N[C@H](C)CO 149866485 344072845 /nfs/dbraw/zinc/07/28/45/344072845.db2.gz WLVLXIPHHNDVBK-SNVBAGLBSA-N 0 0 193.290 2.603 10 0 AFAERN CCOc1cc(C(C)=O)ccc1Cl 149886491 344072849 /nfs/dbraw/zinc/07/28/49/344072849.db2.gz ONPWBSPADXNLCM-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN O=Cc1ccc(CCC2CC2)s1 149897173 344073112 /nfs/dbraw/zinc/07/31/12/344073112.db2.gz JHMNFPBVIHFISZ-UHFFFAOYSA-N 0 0 180.272 2.903 10 0 AFAERN COC(C)(C)Cc1ccc(C=O)s1 149915171 344073201 /nfs/dbraw/zinc/07/32/01/344073201.db2.gz YYKXMIVSAKCTLZ-UHFFFAOYSA-N 0 0 198.287 2.528 10 0 AFAERN CC1(c2ccc(C=O)s2)CC1 149923111 344073226 /nfs/dbraw/zinc/07/32/26/344073226.db2.gz BLPNOZKFEMKIIC-UHFFFAOYSA-N 0 0 166.245 2.612 10 0 AFAERN N#Cc1ccccc1-c1nccs1 149907430 344073362 /nfs/dbraw/zinc/07/33/62/344073362.db2.gz VLMNKGVFQUQZNG-UHFFFAOYSA-N 0 0 186.239 2.682 10 0 AFAERN C[C@@H]1CC[C@H]2CCC[C@@H]12 149935854 344073741 /nfs/dbraw/zinc/07/37/41/344073741.db2.gz XWDLMQDCTIPQFS-HLTSFMKQSA-N 0 0 124.227 2.833 10 0 AFAERN C/C=C/CC(=O)c1ccccc1 150072184 344075994 /nfs/dbraw/zinc/07/59/94/344075994.db2.gz ASUXPIZUANGWRX-NSCUHMNNSA-N 0 0 160.216 2.836 10 0 AFAERN Clc1cncc(-n2cccc2)c1 150077409 344076059 /nfs/dbraw/zinc/07/60/59/344076059.db2.gz AQMZKHCEQLLURF-UHFFFAOYSA-N 0 0 178.622 2.526 10 0 AFAERN Cc1ccc([C@@H]2CCC(=O)C2)cc1F 150046462 344076110 /nfs/dbraw/zinc/07/61/10/344076110.db2.gz XFTBUMONXILKEN-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN CNc1cc(F)ccc1C(F)(F)F 150057907 344076252 /nfs/dbraw/zinc/07/62/52/344076252.db2.gz UJXZWMZAOWOBTL-UHFFFAOYSA-N 0 0 193.143 2.886 10 0 AFAERN COc1cc2ccsc2cc1O 150094480 344076529 /nfs/dbraw/zinc/07/65/29/344076529.db2.gz UJEXMZORGCPCOL-UHFFFAOYSA-N 0 0 180.228 2.616 10 0 AFAERN COc1cc(OC)c2sccc2c1 150100770 344076632 /nfs/dbraw/zinc/07/66/32/344076632.db2.gz CJHWGLBDSDKVIH-UHFFFAOYSA-N 0 0 194.255 2.919 10 0 AFAERN CC(C)c1[nH]oc2cccc(=O)c1-2 150133589 344077116 /nfs/dbraw/zinc/07/71/16/344077116.db2.gz RNHWVIOUHIDBBJ-UHFFFAOYSA-N 0 0 177.203 2.657 10 0 AFAERN COc1ccc(C)c(Cl)c1C 150145134 344077223 /nfs/dbraw/zinc/07/72/23/344077223.db2.gz UYJNNGXOMWOWNQ-UHFFFAOYSA-N 0 0 170.639 2.965 10 0 AFAERN CNc1cccc(-c2ccccn2)c1 150125368 344077394 /nfs/dbraw/zinc/07/73/94/344077394.db2.gz QNQXMGNJOIMTOP-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN CC(C)(C)Sc1cc(F)ncn1 150167066 344077735 /nfs/dbraw/zinc/07/77/35/344077735.db2.gz OEBDNZICOPFYKK-UHFFFAOYSA-N 0 0 186.255 2.506 10 0 AFAERN CC[C@@H](C)Sc1cc(F)ncn1 150166446 344077806 /nfs/dbraw/zinc/07/78/06/344077806.db2.gz FGYNVJWBUVXIEB-ZCFIWIBFSA-N 0 0 186.255 2.506 10 0 AFAERN CC(C)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 150165503 344077823 /nfs/dbraw/zinc/07/78/23/344077823.db2.gz SULQQBPPVAEFGF-IUCAKERBSA-N 0 0 199.294 2.556 10 0 AFAERN CC(C)[C@H]1C[C@H]1NC(=O)OC(C)(C)C 150166127 344077855 /nfs/dbraw/zinc/07/78/55/344077855.db2.gz SULQQBPPVAEFGF-RKDXNWHRSA-N 0 0 199.294 2.556 10 0 AFAERN CC[C@H](C)Sc1cc(F)ncn1 150166644 344077884 /nfs/dbraw/zinc/07/78/84/344077884.db2.gz FGYNVJWBUVXIEB-LURJTMIESA-N 0 0 186.255 2.506 10 0 AFAERN CC(C)(C)C(C)(C)CCCO 150166280 344077891 /nfs/dbraw/zinc/07/78/91/344077891.db2.gz JGJSQGXZRLCPLD-UHFFFAOYSA-N 0 0 158.285 2.831 10 0 AFAERN CCc1cc(C)c(F)c(F)c1 150152160 344077928 /nfs/dbraw/zinc/07/79/28/344077928.db2.gz ARJODPMEBQBBGX-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN C[C@@H]1CCC(=O)c2cc(F)ccc21 150194362 344078236 /nfs/dbraw/zinc/07/82/36/344078236.db2.gz GJXZJHUHMVPAMV-SSDOTTSWSA-N 0 0 178.206 2.906 10 0 AFAERN C[C@H]1CCC(=O)c2cc(F)ccc21 150194582 344078365 /nfs/dbraw/zinc/07/83/65/344078365.db2.gz GJXZJHUHMVPAMV-ZETCQYMHSA-N 0 0 178.206 2.906 10 0 AFAERN COc1ccc2c(c1)C(=O)CC[C@H]2C 150189538 344078436 /nfs/dbraw/zinc/07/84/36/344078436.db2.gz YSFUFOIPTBETHE-MRVPVSSYSA-N 0 0 190.242 2.775 10 0 AFAERN COc1ccc2c(c1)C(=O)CC[C@@H]2C 150189725 344078466 /nfs/dbraw/zinc/07/84/66/344078466.db2.gz YSFUFOIPTBETHE-QMMMGPOBSA-N 0 0 190.242 2.775 10 0 AFAERN CCc1nc(-c2ccco2)cs1 150226098 344078739 /nfs/dbraw/zinc/07/87/39/344078739.db2.gz RKOKXTRWRSXHHC-UHFFFAOYSA-N 0 0 179.244 2.966 10 0 AFAERN CCCCCC(=O)C1(C(C)=O)CC1 150282733 344079025 /nfs/dbraw/zinc/07/90/25/344079025.db2.gz NNSGZEPGYMPTME-UHFFFAOYSA-N 0 0 182.263 2.505 10 0 AFAERN COC/C(F)=C/c1ccccc1 150287793 344079272 /nfs/dbraw/zinc/07/92/72/344079272.db2.gz DKUFSWBIGHIXED-YFHOEESVSA-N 0 0 166.195 2.643 10 0 AFAERN Nc1cccc(CSC2CC2)c1 150317780 344079684 /nfs/dbraw/zinc/07/96/84/344079684.db2.gz IFIVENAXHCGHKV-UHFFFAOYSA-N 0 0 179.288 2.664 10 0 AFAERN CCOC(=O)[C@@H]1C[C@H]1CC(C)(C)C 150306474 344079750 /nfs/dbraw/zinc/07/97/50/344079750.db2.gz FUCSHIRNWAIGAD-DTWKUNHWSA-N 0 0 184.279 2.622 10 0 AFAERN CC1(C)C[C@H]1[C@H](O)C1CCCC1 150334229 344080392 /nfs/dbraw/zinc/08/03/92/344080392.db2.gz GBDUIQIQHOUWBP-VHSXEESVSA-N 0 0 168.280 2.584 10 0 AFAERN C=COCC[C@@H](C)CC 150337863 344080470 /nfs/dbraw/zinc/08/04/70/344080470.db2.gz KIEKHFAKTFLUGJ-QMMMGPOBSA-N 0 0 128.215 2.583 10 0 AFAERN C[C@H]1CCC[C@@H](C(=O)C(F)F)C1 156187458 344081594 /nfs/dbraw/zinc/08/15/94/344081594.db2.gz SBXZNKMMCDEZGC-NKWVEPMBSA-N 0 0 176.206 2.647 10 0 AFAERN O=C(C(F)F)C1CCCCCC1 156188911 344081598 /nfs/dbraw/zinc/08/15/98/344081598.db2.gz RIJCULQUAWIDGJ-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN CCSc1cc(C)cc(N)c1 156210132 344081609 /nfs/dbraw/zinc/08/16/09/344081609.db2.gz AVTBFSAYWQZIMJ-UHFFFAOYSA-N 0 0 167.277 2.689 10 0 AFAERN C[C@@H]1CCC[C@@H](C(=O)C(F)F)C1 156187336 344081628 /nfs/dbraw/zinc/08/16/28/344081628.db2.gz SBXZNKMMCDEZGC-RNFRBKRXSA-N 0 0 176.206 2.647 10 0 AFAERN C[C@H]1CCC[C@H](C(=O)C(F)F)C1 156187217 344081640 /nfs/dbraw/zinc/08/16/40/344081640.db2.gz SBXZNKMMCDEZGC-BQBZGAKWSA-N 0 0 176.206 2.647 10 0 AFAERN CC1CCC(C(=O)C(F)F)CC1 156187591 344081802 /nfs/dbraw/zinc/08/18/02/344081802.db2.gz CHUPNEGFYQMZCJ-UHFFFAOYSA-N 0 0 176.206 2.647 10 0 AFAERN C[C@@H]1CCC[C@H](C(=O)C(F)F)C1 156187086 344081921 /nfs/dbraw/zinc/08/19/21/344081921.db2.gz SBXZNKMMCDEZGC-RQJHMYQMSA-N 0 0 176.206 2.647 10 0 AFAERN CC(C)(C)Cc1nccnc1Cl 156241867 344082805 /nfs/dbraw/zinc/08/28/05/344082805.db2.gz KUYUQIJAVVCHSY-UHFFFAOYSA-N 0 0 184.670 2.719 10 0 AFAERN CC(C)Sc1ccc([C@H](C)O)nc1 156455675 344087416 /nfs/dbraw/zinc/08/74/16/344087416.db2.gz LXSUHCHFBLMCTB-QMMMGPOBSA-N 0 0 197.303 2.635 10 0 AFAERN CC(C)Sc1ccc([C@@H](C)O)nc1 156455796 344087439 /nfs/dbraw/zinc/08/74/39/344087439.db2.gz LXSUHCHFBLMCTB-MRVPVSSYSA-N 0 0 197.303 2.635 10 0 AFAERN CC(C)C(=O)[C@H](C)c1ccc(F)cn1 156532188 344090102 /nfs/dbraw/zinc/09/01/02/344090102.db2.gz YZKVOJBGGYFKBT-MRVPVSSYSA-N 0 0 195.237 2.549 10 0 AFAERN CC(C)C(=O)[C@@H](C)c1ccc(F)cn1 156532065 344090232 /nfs/dbraw/zinc/09/02/32/344090232.db2.gz YZKVOJBGGYFKBT-QMMMGPOBSA-N 0 0 195.237 2.549 10 0 AFAERN CCC(CC)c1nc(Cl)no1 156595720 344091148 /nfs/dbraw/zinc/09/11/48/344091148.db2.gz FSIFXCPYFRFSMN-UHFFFAOYSA-N 0 0 174.631 2.627 10 0 AFAERN Clc1noc(C2CCCCC2)n1 156585418 344091179 /nfs/dbraw/zinc/09/11/79/344091179.db2.gz RKECZHIBYPKTHB-UHFFFAOYSA-N 0 0 186.642 2.771 10 0 AFAERN CC1(c2nc(Cl)no2)CCCC1 156594276 344091412 /nfs/dbraw/zinc/09/14/12/344091412.db2.gz LZGLTTBMDDMGNV-UHFFFAOYSA-N 0 0 186.642 2.555 10 0 AFAERN CCC[C@@H](C)c1nc(Cl)no1 156587816 344091554 /nfs/dbraw/zinc/09/15/54/344091554.db2.gz PXGCGIRULIYOFJ-RXMQYKEDSA-N 0 0 174.631 2.627 10 0 AFAERN CCC[C@H](C)c1nc(Cl)no1 156587932 344091627 /nfs/dbraw/zinc/09/16/27/344091627.db2.gz PXGCGIRULIYOFJ-YFKPBYRVSA-N 0 0 174.631 2.627 10 0 AFAERN O=C(c1ccc(Cl)s1)C(F)F 156620587 344092052 /nfs/dbraw/zinc/09/20/52/344092052.db2.gz MJAQNLJQRRRZIZ-UHFFFAOYSA-N 0 0 196.605 2.849 10 0 AFAERN Oc1cccc(-c2cncc(F)c2)c1 156617925 344092290 /nfs/dbraw/zinc/09/22/90/344092290.db2.gz XTUJCQPJXADUAM-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Cc1ccc(C(=O)C(F)F)s1 156619276 344092307 /nfs/dbraw/zinc/09/23/07/344092307.db2.gz ZBAXUYDCZDIJRH-UHFFFAOYSA-N 0 0 176.187 2.504 10 0 AFAERN O=C(CC1CCCC1)C(F)(F)Cl 156629300 344092583 /nfs/dbraw/zinc/09/25/83/344092583.db2.gz KANGZAMFOSJEEA-UHFFFAOYSA-N 0 0 196.624 2.967 10 0 AFAERN Cc1ccsc1C(=O)C(F)F 156626739 344092634 /nfs/dbraw/zinc/09/26/34/344092634.db2.gz COXKSHSPBOMQLM-UHFFFAOYSA-N 0 0 176.187 2.504 10 0 AFAERN O=C(C1CCCC1)C(F)(F)Cl 156628599 344092674 /nfs/dbraw/zinc/09/26/74/344092674.db2.gz CPTZEHFVPQDLJX-UHFFFAOYSA-N 0 0 182.597 2.577 10 0 AFAERN Oc1ccccc1-c1cncc(F)c1 156638735 344092710 /nfs/dbraw/zinc/09/27/10/344092710.db2.gz GMLMBQHIEAZDRU-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Cc1ccsc1-c1ccc(O)cn1 156627655 344092720 /nfs/dbraw/zinc/09/27/20/344092720.db2.gz XHSIOQWKVSBQJA-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN O=C(CC1CCCCC1)C(F)F 156625533 344092758 /nfs/dbraw/zinc/09/27/58/344092758.db2.gz OZVFGEWHTJHCCJ-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN Oc1ccc(-c2ccoc2)cc1 156640356 344092778 /nfs/dbraw/zinc/09/27/78/344092778.db2.gz YUSMVWXPCIJBJE-UHFFFAOYSA-N 0 0 160.172 2.652 10 0 AFAERN Oc1ccc(-c2cncc(F)c2)cc1 156638875 344092820 /nfs/dbraw/zinc/09/28/20/344092820.db2.gz AZYQDVFNMXXCOB-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Cc1cncc(-c2cccc(O)c2)c1 156634521 344092889 /nfs/dbraw/zinc/09/28/89/344092889.db2.gz TWPHZCZSMWAXGR-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN O[C@@H](C1CCCCC1)C(F)(F)Cl 156646116 344093327 /nfs/dbraw/zinc/09/33/27/344093327.db2.gz NUGFSFWBQVHHNZ-ZETCQYMHSA-N 0 0 198.640 2.759 10 0 AFAERN OCc1cscc1-c1cccs1 156708229 344093759 /nfs/dbraw/zinc/09/37/59/344093759.db2.gz ANMCLHXOTADFMY-UHFFFAOYSA-N 0 0 196.296 2.969 10 0 AFAERN Cc1cc(O)ccc1C1CC1 156703569 344094029 /nfs/dbraw/zinc/09/40/29/344094029.db2.gz XXGHCSOXYBGREM-UHFFFAOYSA-N 0 0 148.205 2.578 10 0 AFAERN O=Cc1csc2c1CCCS2 156705842 344094037 /nfs/dbraw/zinc/09/40/37/344094037.db2.gz GRNBHMUYEJWPSX-UHFFFAOYSA-N 0 0 184.285 2.599 10 0 AFAERN Oc1cc(C2CC2)ccc1Cl 156703068 344094207 /nfs/dbraw/zinc/09/42/07/344094207.db2.gz SWFWLYGVYXGPDN-UHFFFAOYSA-N 0 0 168.623 2.923 10 0 AFAERN Oc1ccc(-c2ccoc2)cc1F 156736181 344094612 /nfs/dbraw/zinc/09/46/12/344094612.db2.gz RNEXUXRGDYNOPB-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN Oc1cc(F)ccc1-c1ccoc1 156734585 344094857 /nfs/dbraw/zinc/09/48/57/344094857.db2.gz WKUKABDXEGIKSV-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN CC(C)Cc1ccc(O)cc1F 156761594 344095206 /nfs/dbraw/zinc/09/52/06/344095206.db2.gz SOTCUJOSGIYGLP-UHFFFAOYSA-N 0 0 168.211 2.730 10 0 AFAERN Cc1cc(O)ccc1CC(C)C 156761733 344095215 /nfs/dbraw/zinc/09/52/15/344095215.db2.gz XDODDYKWNQUXRN-UHFFFAOYSA-N 0 0 164.248 2.899 10 0 AFAERN CC(C)Cc1ccc(O)c(F)c1 156762017 344095219 /nfs/dbraw/zinc/09/52/19/344095219.db2.gz IYEVBSXTXOWVRU-UHFFFAOYSA-N 0 0 168.211 2.730 10 0 AFAERN Cc1cc(-c2cncc(O)c2)cs1 156767831 344095316 /nfs/dbraw/zinc/09/53/16/344095316.db2.gz HOYRAMOPLTURRP-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc(-c2ncccc2O)cs1 156768732 344095388 /nfs/dbraw/zinc/09/53/88/344095388.db2.gz DBLIUPHPXDIFAU-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ccc(-c2cncc(O)c2)s1 156772508 344095412 /nfs/dbraw/zinc/09/54/12/344095412.db2.gz HICJKZBCUXBJPQ-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ccsc1-c1ncccc1O 156809209 344095678 /nfs/dbraw/zinc/09/56/78/344095678.db2.gz RJTWBRDTNMJSLJ-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ccsc1-c1cncc(O)c1 156808338 344095778 /nfs/dbraw/zinc/09/57/78/344095778.db2.gz IMGPXNPFEGWURN-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CC(C)c1cnc(NC2CC2)s1 156828204 344095996 /nfs/dbraw/zinc/09/59/96/344095996.db2.gz XVNGDORLZZVBNT-UHFFFAOYSA-N 0 0 182.292 2.841 10 0 AFAERN CCSCc1cc(N)cc(F)c1 157068895 344099932 /nfs/dbraw/zinc/09/99/32/344099932.db2.gz NVFKJPFJSHEJDC-UHFFFAOYSA-N 0 0 185.267 2.661 10 0 AFAERN CCCc1nc(C2CC2)cs1 157121342 344100172 /nfs/dbraw/zinc/10/01/72/344100172.db2.gz RXLMBKSUHBDADV-UHFFFAOYSA-N 0 0 167.277 2.973 10 0 AFAERN COCCCc1nc(C2CC2)cs1 157121506 344100223 /nfs/dbraw/zinc/10/02/23/344100223.db2.gz PVAPJDFSTRRVAB-UHFFFAOYSA-N 0 0 197.303 2.600 10 0 AFAERN CC(C)c1csc(N2CCCC2)n1 157110128 344100511 /nfs/dbraw/zinc/10/05/11/344100511.db2.gz NWMXKCIJOBTZCP-UHFFFAOYSA-N 0 0 196.319 2.867 10 0 AFAERN CCCc1csc(N2CCCC2)n1 157229263 344101246 /nfs/dbraw/zinc/10/12/46/344101246.db2.gz RZIVAMWTYYJKJN-UHFFFAOYSA-N 0 0 196.319 2.696 10 0 AFAERN CCOC(=O)N1CCCCC[C@H]1CC 157239528 344101851 /nfs/dbraw/zinc/10/18/51/344101851.db2.gz VHNRKUBHDOPSMJ-SNVBAGLBSA-N 0 0 199.294 2.798 10 0 AFAERN C/C=C/C(=O)N1CCCCC[C@H]1CC 157238631 344101906 /nfs/dbraw/zinc/10/19/06/344101906.db2.gz FARAQPHCCRQGAW-TXGYYHNKSA-N 0 0 195.306 2.744 10 0 AFAERN CCOC(=O)N1CCCCC[C@@H]1CC 157239666 344102097 /nfs/dbraw/zinc/10/20/97/344102097.db2.gz VHNRKUBHDOPSMJ-JTQLQIEISA-N 0 0 199.294 2.798 10 0 AFAERN CCCC(=O)N1CCCCC[C@@H]1CC 157237717 344102173 /nfs/dbraw/zinc/10/21/73/344102173.db2.gz HLVNODROWBCKPX-NSHDSACASA-N 0 0 197.322 2.968 10 0 AFAERN C/C=C/C(=O)N1CCCCC[C@@H]1CC 157238762 344102175 /nfs/dbraw/zinc/10/21/75/344102175.db2.gz FARAQPHCCRQGAW-AEBAWRHJSA-N 0 0 195.306 2.744 10 0 AFAERN CCc1csc(-c2ccco2)n1 157260226 344102383 /nfs/dbraw/zinc/10/23/83/344102383.db2.gz FTRWCSMPBVRLEK-UHFFFAOYSA-N 0 0 179.244 2.966 10 0 AFAERN CC1CCC(=C[C@@H](C)O)CC1 157322046 344103515 /nfs/dbraw/zinc/10/35/15/344103515.db2.gz HKJYXFKZGDEIAT-YGPZHTELSA-N 0 0 154.253 2.504 10 0 AFAERN CC1CCC(=C[C@H](C)O)CC1 157322206 344103664 /nfs/dbraw/zinc/10/36/64/344103664.db2.gz HKJYXFKZGDEIAT-GKAPJAKFSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H](O)/C=C1/CC[C@H](C)[C@@H](C)C1 157336588 344103678 /nfs/dbraw/zinc/10/36/78/344103678.db2.gz JRFKUIPBCYWTST-YLHNTHTESA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@@H]1CC/C(=C\[C@H](C)O)C1 157331484 344103717 /nfs/dbraw/zinc/10/37/17/344103717.db2.gz CUHUIBKRIMMQBV-BQRMELFQSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H]1CC(=C[C@@H](C)O)C[C@H](C)C1 157329425 344103814 /nfs/dbraw/zinc/10/38/14/344103814.db2.gz GFAZWQFEZLLWLL-KXUCPTDWSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@@H]1CC/C(=C\[C@@H](C)O)C1 157331230 344103878 /nfs/dbraw/zinc/10/38/78/344103878.db2.gz CUHUIBKRIMMQBV-BBYBQBAKSA-N 0 0 154.253 2.504 10 0 AFAERN C/C(=C/[C@H](C)O)c1cccs1 157350473 344104141 /nfs/dbraw/zinc/10/41/41/344104141.db2.gz CFRDWLKFUJGRLH-UAPHAKCISA-N 0 0 168.261 2.532 10 0 AFAERN C[C@H](O)/C=C/c1cc(Cl)cs1 157366021 344104186 /nfs/dbraw/zinc/10/41/86/344104186.db2.gz QSDBDRMNLZQYNJ-SZKDQXIBSA-N 0 0 188.679 2.796 10 0 AFAERN C[C@@H](O)/C=C/c1cc(Cl)cs1 157366160 344104324 /nfs/dbraw/zinc/10/43/24/344104324.db2.gz QSDBDRMNLZQYNJ-YRFDSLTASA-N 0 0 188.679 2.796 10 0 AFAERN C[C@H](O)C=C1CCC(C)(C)CC1 157367238 344104362 /nfs/dbraw/zinc/10/43/62/344104362.db2.gz LMIFULHTFWPCEE-VIFPVBQESA-N 0 0 168.280 2.894 10 0 AFAERN C/C(=C/[C@@H](C)O)c1cccs1 157350623 344104430 /nfs/dbraw/zinc/10/44/30/344104430.db2.gz CFRDWLKFUJGRLH-NFXKFNAJSA-N 0 0 168.261 2.532 10 0 AFAERN C[C@@H](O)C=C1CCC(C)(C)CC1 157367372 344104504 /nfs/dbraw/zinc/10/45/04/344104504.db2.gz LMIFULHTFWPCEE-SECBINFHSA-N 0 0 168.280 2.894 10 0 AFAERN CCc1ccc(-c2ccon2)cc1 157387522 344104791 /nfs/dbraw/zinc/10/47/91/344104791.db2.gz XKYHWVODKPLRMH-UHFFFAOYSA-N 0 0 173.215 2.904 10 0 AFAERN Cc1ccc(-c2ccon2)cc1F 157389837 344104822 /nfs/dbraw/zinc/10/48/22/344104822.db2.gz RASMVGRGIFYMAH-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN Cc1ccc(-c2ccon2)cc1C 157388528 344104871 /nfs/dbraw/zinc/10/48/71/344104871.db2.gz GRYYCLFLBNXCIG-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CCO[C@@H](C)c1nc(C)cs1 157403527 344105331 /nfs/dbraw/zinc/10/53/31/344105331.db2.gz BSFOVSRRUVBCPK-ZETCQYMHSA-N 0 0 171.265 2.549 10 0 AFAERN Cc1cc(-c2ccon2)c(C)o1 157395905 344105373 /nfs/dbraw/zinc/10/53/73/344105373.db2.gz IZWNRBQPMXRVSU-UHFFFAOYSA-N 0 0 163.176 2.551 10 0 AFAERN CCO[C@H](C)c1nc(C)cs1 157403691 344105806 /nfs/dbraw/zinc/10/58/06/344105806.db2.gz BSFOVSRRUVBCPK-SSDOTTSWSA-N 0 0 171.265 2.549 10 0 AFAERN Cc1ccc(C)c(-c2cc(=O)o[nH]2)c1 157423761 344106621 /nfs/dbraw/zinc/10/66/21/344106621.db2.gz MAEFZZKYCMIZJK-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN CC1(C)CCC[C@@]1(O)CC1CC1 157566381 344109418 /nfs/dbraw/zinc/10/94/18/344109418.db2.gz GRPIMYSPGFOLEW-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CC1(C)CCC[C@]1(O)CC1CC1 157566223 344109539 /nfs/dbraw/zinc/10/95/39/344109539.db2.gz GRPIMYSPGFOLEW-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)CC1CCSCC1 157608427 344110461 /nfs/dbraw/zinc/11/04/61/344110461.db2.gz ADKCUEPNNDAHMQ-SCZZXKLOSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@H]1C[C@H]1C(=O)CC1CCSCC1 157608876 344110551 /nfs/dbraw/zinc/11/05/51/344110551.db2.gz ADKCUEPNNDAHMQ-WCBMZHEXSA-N 0 0 198.331 2.745 10 0 AFAERN O=C(CC1CCSCC1)C1CCC1 157642020 344110669 /nfs/dbraw/zinc/11/06/69/344110669.db2.gz QIZNPJQVTVSEEA-UHFFFAOYSA-N 0 0 198.331 2.889 10 0 AFAERN Cc1cc(C)cc(CC(=O)C(F)F)c1 157638865 344110772 /nfs/dbraw/zinc/11/07/72/344110772.db2.gz BSNBNCMCKAVPTO-UHFFFAOYSA-N 0 0 198.212 2.680 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)CC1CCSCC1 157608727 344110840 /nfs/dbraw/zinc/11/08/40/344110840.db2.gz ADKCUEPNNDAHMQ-PSASIEDQSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)CC1CCSCC1 157608576 344110887 /nfs/dbraw/zinc/11/08/87/344110887.db2.gz ADKCUEPNNDAHMQ-WPRPVWTQSA-N 0 0 198.331 2.745 10 0 AFAERN CC[C@@H]1CCC[C@H]([C@H](O)C(F)F)C1 157647424 344111235 /nfs/dbraw/zinc/11/12/35/344111235.db2.gz QSXMAWQWQIKMMY-VGMNWLOBSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@@H]1CCC[C@@H]([C@H](O)C(F)F)C1 157647705 344111263 /nfs/dbraw/zinc/11/12/63/344111263.db2.gz QSXMAWQWQIKMMY-HLTSFMKQSA-N 0 0 192.249 2.829 10 0 AFAERN CCC(CC)c1nnc(Cl)o1 157744129 344112852 /nfs/dbraw/zinc/11/28/52/344112852.db2.gz FQDFGOJGUGBWGB-UHFFFAOYSA-N 0 0 174.631 2.627 10 0 AFAERN CCC[C@@H](C)c1nnc(Cl)o1 157767831 344113623 /nfs/dbraw/zinc/11/36/23/344113623.db2.gz FXQVOWNYVYFCHC-RXMQYKEDSA-N 0 0 174.631 2.627 10 0 AFAERN CCC[C@H](C)c1nnc(Cl)o1 157767979 344113719 /nfs/dbraw/zinc/11/37/19/344113719.db2.gz FXQVOWNYVYFCHC-YFKPBYRVSA-N 0 0 174.631 2.627 10 0 AFAERN Cc1cc(-c2nnc(Cl)o2)c(C)o1 157785607 344114262 /nfs/dbraw/zinc/11/42/62/344114262.db2.gz OGHAIVWMMPZPBM-UHFFFAOYSA-N 0 0 198.609 2.600 10 0 AFAERN CC1(c2nnc(Cl)o2)CCCC1 157799692 344114427 /nfs/dbraw/zinc/11/44/27/344114427.db2.gz HKMKFGKTZZUHEQ-UHFFFAOYSA-N 0 0 186.642 2.555 10 0 AFAERN CCNc1nccnc1C1CCCC1 157813085 344114939 /nfs/dbraw/zinc/11/49/39/344114939.db2.gz XNPPSBBGCJIJJN-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN CNc1nccnc1C1CCCCC1 157811853 344115133 /nfs/dbraw/zinc/11/51/33/344115133.db2.gz MGRDGJIOUVZEHF-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN CCCNc1nccnc1C(C)(C)C 157815047 344115280 /nfs/dbraw/zinc/11/52/80/344115280.db2.gz RJIBQNPGADICJK-UHFFFAOYSA-N 0 0 193.294 2.596 10 0 AFAERN CCCNc1nccnc1C1CCC1 157815180 344115453 /nfs/dbraw/zinc/11/54/53/344115453.db2.gz BPSCFPJUNLEXSU-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN Cc1cccc(NCc2ccoc2)n1 157878026 344116097 /nfs/dbraw/zinc/11/60/97/344116097.db2.gz LWHGCBMLRYFCOJ-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN CC(C)(C)CC[C@@]1(F)CCC[NH2+]C1 158084635 344118047 /nfs/dbraw/zinc/11/80/47/344118047.db2.gz JGHAFBRYKLXBBK-NSHDSACASA-N 0 0 187.302 2.904 10 0 AFAERN CC(C)c1ccc(C2(F)CNC2)cc1 158124281 344119358 /nfs/dbraw/zinc/11/93/58/344119358.db2.gz XYFGESQKVFNVIL-UHFFFAOYSA-N 0 0 193.265 2.578 10 0 AFAERN CC(C)c1csc([C@@H]2CCOC2)n1 158157599 344119791 /nfs/dbraw/zinc/11/97/91/344119791.db2.gz QQGMMXJODOBOKK-MRVPVSSYSA-N 0 0 197.303 2.770 10 0 AFAERN CC(C)c1csc([C@H]2CCOC2)n1 158157725 344120104 /nfs/dbraw/zinc/12/01/04/344120104.db2.gz QQGMMXJODOBOKK-QMMMGPOBSA-N 0 0 197.303 2.770 10 0 AFAERN c1sc([C@@H]2CCOC2)nc1C1CC1 158159308 344120725 /nfs/dbraw/zinc/12/07/25/344120725.db2.gz QFFGIHZZFMWXJE-MRVPVSSYSA-N 0 0 195.287 2.524 10 0 AFAERN c1sc([C@H]2CCOC2)nc1C1CC1 158159445 344120745 /nfs/dbraw/zinc/12/07/45/344120745.db2.gz QFFGIHZZFMWXJE-QMMMGPOBSA-N 0 0 195.287 2.524 10 0 AFAERN CC(C)C[C@@H](O)[C@]1(C)CCCS1 158212203 344121278 /nfs/dbraw/zinc/12/12/78/344121278.db2.gz XOCPSJDJGRGKQC-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)C[C@H](O)[C@]1(C)CCCS1 158212058 344121369 /nfs/dbraw/zinc/12/13/69/344121369.db2.gz XOCPSJDJGRGKQC-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)C[C@H](O)[C@@]1(C)CCCS1 158212339 344121533 /nfs/dbraw/zinc/12/15/33/344121533.db2.gz XOCPSJDJGRGKQC-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)C[C@@H](O)[C@@]1(C)CCCS1 158212483 344121925 /nfs/dbraw/zinc/12/19/25/344121925.db2.gz XOCPSJDJGRGKQC-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN CCc1csc(C2CCC2)n1 158221132 344122098 /nfs/dbraw/zinc/12/20/98/344122098.db2.gz ZAVRIDMHMPDEGN-UHFFFAOYSA-N 0 0 167.277 2.973 10 0 AFAERN CC(C)C(=O)c1snnc1C(C)C 158247504 344122449 /nfs/dbraw/zinc/12/24/49/344122449.db2.gz XJOJJEYIBSMCMN-UHFFFAOYSA-N 0 0 198.291 2.500 10 0 AFAERN CCC(=O)[C@@H]1Cc2ccccc2S1 158251619 344122686 /nfs/dbraw/zinc/12/26/86/344122686.db2.gz DJLBDMLOVICLMQ-NSHDSACASA-N 0 0 192.283 2.683 10 0 AFAERN CCCC(=O)c1ccncc1Cl 158281301 344123272 /nfs/dbraw/zinc/12/32/72/344123272.db2.gz CJVPUBHUQTWXGH-UHFFFAOYSA-N 0 0 183.638 2.718 10 0 AFAERN CC[C@](F)(C[NH3+])C1CCC(C)CC1 158326634 344124070 /nfs/dbraw/zinc/12/40/70/344124070.db2.gz TYYSXERGZXXFEE-ILDUYXDCSA-N 0 0 187.302 2.890 10 0 AFAERN CC[C@@](F)(C[NH3+])C1CCC(C)CC1 158326481 344124146 /nfs/dbraw/zinc/12/41/46/344124146.db2.gz TYYSXERGZXXFEE-VQXHTEKXSA-N 0 0 187.302 2.890 10 0 AFAERN CC[C@](F)(C[NH3+])c1cc(F)ccc1C 158324672 344124214 /nfs/dbraw/zinc/12/42/14/344124214.db2.gz JIYJCJYYXRAFGT-NSHDSACASA-N 0 0 199.244 2.668 10 0 AFAERN CC[C@](F)(C[NH3+])c1cc(C)ccc1C 158332526 344124252 /nfs/dbraw/zinc/12/42/52/344124252.db2.gz IUGBMRTXEAGNDK-LBPRGKRZSA-N 0 0 195.281 2.837 10 0 AFAERN CC[C@](F)(C[NH3+])c1cccc(C)c1 158328171 344124271 /nfs/dbraw/zinc/12/42/71/344124271.db2.gz SVPRMDCMRSOKDS-NSHDSACASA-N 0 0 181.254 2.529 10 0 AFAERN CC[C@@](F)(C[NH3+])c1cccc(C)c1 158328024 344124328 /nfs/dbraw/zinc/12/43/28/344124328.db2.gz SVPRMDCMRSOKDS-LLVKDONJSA-N 0 0 181.254 2.529 10 0 AFAERN CC[C@@](F)(C[NH3+])c1cc(F)ccc1C 158324533 344124353 /nfs/dbraw/zinc/12/43/53/344124353.db2.gz JIYJCJYYXRAFGT-LLVKDONJSA-N 0 0 199.244 2.668 10 0 AFAERN CC[C@@](F)(C[NH3+])c1cc(C)ccc1C 158332374 344124390 /nfs/dbraw/zinc/12/43/90/344124390.db2.gz IUGBMRTXEAGNDK-GFCCVEGCSA-N 0 0 195.281 2.837 10 0 AFAERN Cc1ncsc1C(=O)CC(C)C 158384214 344126022 /nfs/dbraw/zinc/12/60/22/344126022.db2.gz DVMOJNIVVQJOQE-UHFFFAOYSA-N 0 0 183.276 2.680 10 0 AFAERN Cc1ccccc1-c1nc(Cl)no1 158588648 344128892 /nfs/dbraw/zinc/12/88/92/344128892.db2.gz PEGGQFOYRUFWKP-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CCc1ccc(-c2nc(Cl)no2)o1 158586916 344129082 /nfs/dbraw/zinc/12/90/82/344129082.db2.gz YHGQVDNIQKZUMX-UHFFFAOYSA-N 0 0 198.609 2.545 10 0 AFAERN Cc1cc(-c2nc(Cl)no2)c(C)o1 158600533 344129552 /nfs/dbraw/zinc/12/95/52/344129552.db2.gz NOQMTZQRLQMCEQ-UHFFFAOYSA-N 0 0 198.609 2.600 10 0 AFAERN CCc1cccc(C(=O)C(F)F)c1 158646700 344130052 /nfs/dbraw/zinc/13/00/52/344130052.db2.gz WJBWXQZPOIWQMD-UHFFFAOYSA-N 0 0 184.185 2.697 10 0 AFAERN O=C(C[C@H]1Cc2ccccc21)C(F)F 158658611 344130054 /nfs/dbraw/zinc/13/00/54/344130054.db2.gz SWWURQGCNKDLJU-MRVPVSSYSA-N 0 0 196.196 2.551 10 0 AFAERN C[C@H]1C[C@H](C(=O)C(F)F)CC[C@H]1C 158655272 344130056 /nfs/dbraw/zinc/13/00/56/344130056.db2.gz OFLIQSZLVXAVSC-GJMOJQLCSA-N 0 0 190.233 2.893 10 0 AFAERN C[C@@H]1CC(C(=O)C(F)F)C[C@@H](C)C1 158657973 344130062 /nfs/dbraw/zinc/13/00/62/344130062.db2.gz GZUDMXQEVQPHKL-BQBZGAKWSA-N 0 0 190.233 2.893 10 0 AFAERN O=C(C[C@@H]1Cc2ccccc21)C(F)F 158658748 344130085 /nfs/dbraw/zinc/13/00/85/344130085.db2.gz SWWURQGCNKDLJU-QMMMGPOBSA-N 0 0 196.196 2.551 10 0 AFAERN C[C@H]1C[C@@H](C(=O)C(F)F)CC[C@H]1C 158654990 344130124 /nfs/dbraw/zinc/13/01/24/344130124.db2.gz OFLIQSZLVXAVSC-CSMHCCOUSA-N 0 0 190.233 2.893 10 0 AFAERN Cc1ccc(F)c(C(=O)C(F)F)c1 158659193 344130158 /nfs/dbraw/zinc/13/01/58/344130158.db2.gz PHZGBDGVFMMGIZ-UHFFFAOYSA-N 0 0 188.148 2.582 10 0 AFAERN C[C@H]1CC(C(=O)C(F)F)C[C@H](C)C1 158658122 344130342 /nfs/dbraw/zinc/13/03/42/344130342.db2.gz GZUDMXQEVQPHKL-RNFRBKRXSA-N 0 0 190.233 2.893 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1[C@H](O)C(F)F 158743011 344131513 /nfs/dbraw/zinc/13/15/13/344131513.db2.gz SGYQLZDRPNIYAS-VGMNWLOBSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@H]1CC([C@H](O)C(F)F)C[C@H](C)C1 158729117 344131746 /nfs/dbraw/zinc/13/17/46/344131746.db2.gz OTKZRPHETLBKDA-BHNWBGBOSA-N 0 0 192.249 2.685 10 0 AFAERN CC[C@@H]1CCCC[C@H]1[C@H](O)C(F)F 158743234 344131806 /nfs/dbraw/zinc/13/18/06/344131806.db2.gz SGYQLZDRPNIYAS-HLTSFMKQSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)n1ncc2c(Cl)ccnc21 158752384 344132566 /nfs/dbraw/zinc/13/25/66/344132566.db2.gz DIZBBFCAXMWJIQ-UHFFFAOYSA-N 0 0 195.653 2.666 10 0 AFAERN Cc1cnc([C@@H](O)CC(C)C)c(C)c1 158852457 344134113 /nfs/dbraw/zinc/13/41/13/344134113.db2.gz MJRMVKVZKURNJL-NSHDSACASA-N 0 0 193.290 2.778 10 0 AFAERN Cc1cnc([C@H](O)CC(C)C)c(C)c1 158852289 344134169 /nfs/dbraw/zinc/13/41/69/344134169.db2.gz MJRMVKVZKURNJL-LLVKDONJSA-N 0 0 193.290 2.778 10 0 AFAERN Cc1cc(C)c(NC(C)C)cc1N 158876779 344134280 /nfs/dbraw/zinc/13/42/80/344134280.db2.gz QONQJXKXDWAAKR-UHFFFAOYSA-N 0 0 178.279 2.706 10 0 AFAERN CO[C@H](c1nc(C)cs1)C1CC1 158976178 344135938 /nfs/dbraw/zinc/13/59/38/344135938.db2.gz RCXBAPHRLJUWHN-QMMMGPOBSA-N 0 0 183.276 2.549 10 0 AFAERN CO[C@@H](c1nc(C)cs1)C1CC1 158976029 344135988 /nfs/dbraw/zinc/13/59/88/344135988.db2.gz RCXBAPHRLJUWHN-MRVPVSSYSA-N 0 0 183.276 2.549 10 0 AFAERN CCc1csc(C2(OC)CCC2)n1 158983389 344135994 /nfs/dbraw/zinc/13/59/94/344135994.db2.gz PXXZUOONSVDIRN-UHFFFAOYSA-N 0 0 197.303 2.731 10 0 AFAERN CO[C@@H](c1nccs1)C(C)(C)C 158979218 344136170 /nfs/dbraw/zinc/13/61/70/344136170.db2.gz SLWZNDJJEQRWRN-ZETCQYMHSA-N 0 0 185.292 2.877 10 0 AFAERN CO[C@H](c1nccs1)C(C)(C)C 158979064 344136256 /nfs/dbraw/zinc/13/62/56/344136256.db2.gz SLWZNDJJEQRWRN-SSDOTTSWSA-N 0 0 185.292 2.877 10 0 AFAERN C[C@H]1CC(=O)c2cccc(F)c2C1 159184647 344139941 /nfs/dbraw/zinc/13/99/41/344139941.db2.gz GIDCMWVWFNAQAL-SSDOTTSWSA-N 0 0 178.206 2.591 10 0 AFAERN C[C@@H]1CC(=O)c2cccc(F)c2C1 159184781 344140051 /nfs/dbraw/zinc/14/00/51/344140051.db2.gz GIDCMWVWFNAQAL-ZETCQYMHSA-N 0 0 178.206 2.591 10 0 AFAERN CC[C@@H](O)[C@H]1CSc2ccccc21 159287344 344141764 /nfs/dbraw/zinc/14/17/64/344141764.db2.gz ILMNBNYBZWDYSL-VHSXEESVSA-N 0 0 194.299 2.647 10 0 AFAERN CC[C@H](O)[C@H]1CSc2ccccc21 159287225 344142010 /nfs/dbraw/zinc/14/20/10/344142010.db2.gz ILMNBNYBZWDYSL-UWVGGRQHSA-N 0 0 194.299 2.647 10 0 AFAERN CC[C@H](O)[C@@H]1CSc2ccccc21 159286945 344142055 /nfs/dbraw/zinc/14/20/55/344142055.db2.gz ILMNBNYBZWDYSL-ZJUUUORDSA-N 0 0 194.299 2.647 10 0 AFAERN COC1(C(=O)C(C)(C)C)CCCCC1 159390440 344143422 /nfs/dbraw/zinc/14/34/22/344143422.db2.gz JNGGMKJMYXPKSS-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN COC1(C(=O)C(C)C)CCC(C)CC1 159417023 344144095 /nfs/dbraw/zinc/14/40/95/344144095.db2.gz WCSNQXVZPJZJFJ-UHFFFAOYSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1csc([C@H](O)C2CCCC2)n1 159535590 344147263 /nfs/dbraw/zinc/14/72/63/344147263.db2.gz ASSLQFRAJCQZCW-SECBINFHSA-N 0 0 197.303 2.675 10 0 AFAERN Cc1csc([C@@H](O)C2CCCC2)n1 159535699 344147420 /nfs/dbraw/zinc/14/74/20/344147420.db2.gz ASSLQFRAJCQZCW-VIFPVBQESA-N 0 0 197.303 2.675 10 0 AFAERN CC1(C)CC[C@](O)(CC2CC2)C1 159579952 344148391 /nfs/dbraw/zinc/14/83/91/344148391.db2.gz SGJXNXFGIVIMKN-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@@]1(O)CC1CC1 159577956 344148395 /nfs/dbraw/zinc/14/83/95/344148395.db2.gz RLMMYYUPRRTAFL-JFGNBEQYSA-N 0 0 182.307 2.974 10 0 AFAERN CC1(C)CC[C@@](O)(CC2CC2)C1 159580100 344148576 /nfs/dbraw/zinc/14/85/76/344148576.db2.gz SGJXNXFGIVIMKN-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@](O)(CC2CC2)C1 159578166 344148633 /nfs/dbraw/zinc/14/86/33/344148633.db2.gz RLMMYYUPRRTAFL-CKYFFXLPSA-N 0 0 182.307 2.974 10 0 AFAERN CCC[C@@]1(C)CCC(=O)C1 159626227 344149323 /nfs/dbraw/zinc/14/93/23/344149323.db2.gz TVFRIYNMDFDFGW-VIFPVBQESA-N 0 0 140.226 2.546 10 0 AFAERN CCC[C@]1(C)CCC(=O)C1 159626076 344149358 /nfs/dbraw/zinc/14/93/58/344149358.db2.gz TVFRIYNMDFDFGW-SECBINFHSA-N 0 0 140.226 2.546 10 0 AFAERN Cc1ncsc1[C@H](O)C(C)(C)C 159739466 344151686 /nfs/dbraw/zinc/15/16/86/344151686.db2.gz BGIZECWBJUGQRG-QMMMGPOBSA-N 0 0 185.292 2.531 10 0 AFAERN Cc1ncsc1[C@@H](O)C(C)(C)C 159739579 344151904 /nfs/dbraw/zinc/15/19/04/344151904.db2.gz BGIZECWBJUGQRG-MRVPVSSYSA-N 0 0 185.292 2.531 10 0 AFAERN C[C@]1([C@@H](O)c2ccoc2)CCCS1 159782409 344152089 /nfs/dbraw/zinc/15/20/89/344152089.db2.gz PBRYPIWRKACCSY-VHSXEESVSA-N 0 0 198.287 2.599 10 0 AFAERN C[C@]1([C@H](O)c2ccoc2)CCCS1 159782133 344152184 /nfs/dbraw/zinc/15/21/84/344152184.db2.gz PBRYPIWRKACCSY-NXEZZACHSA-N 0 0 198.287 2.599 10 0 AFAERN C[C@@]1([C@@H](O)c2ccoc2)CCCS1 159782561 344152292 /nfs/dbraw/zinc/15/22/92/344152292.db2.gz PBRYPIWRKACCSY-UWVGGRQHSA-N 0 0 198.287 2.599 10 0 AFAERN C[C@@]1([C@H](O)c2ccoc2)CCCS1 159782274 344152364 /nfs/dbraw/zinc/15/23/64/344152364.db2.gz PBRYPIWRKACCSY-ZJUUUORDSA-N 0 0 198.287 2.599 10 0 AFAERN OCc1ccc(NC2CCCC2)cc1 159811772 344152684 /nfs/dbraw/zinc/15/26/84/344152684.db2.gz VQPVSUFJEGBRHR-UHFFFAOYSA-N 0 0 191.274 2.533 10 0 AFAERN CC[C@H](C)N(C)c1cc(C)cc(N)c1 159854107 344152973 /nfs/dbraw/zinc/15/29/73/344152973.db2.gz GJIUOCRDQZHRGQ-JTQLQIEISA-N 0 0 192.306 2.812 10 0 AFAERN CCCCNc1cc(C)cc(N)c1 159851226 344153019 /nfs/dbraw/zinc/15/30/19/344153019.db2.gz FJSFBRFACXYTFL-UHFFFAOYSA-N 0 0 178.279 2.789 10 0 AFAERN Cc1cc(N)cc(NCC2CCC2)c1 159854291 344153025 /nfs/dbraw/zinc/15/30/25/344153025.db2.gz QOSBSWULBDNYOI-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CCN(c1cc(C)cc(N)c1)C(C)C 159853278 344153059 /nfs/dbraw/zinc/15/30/59/344153059.db2.gz LEUAEQPAVIQGQJ-UHFFFAOYSA-N 0 0 192.306 2.812 10 0 AFAERN Cc1cc(N)cc(NCC(C)C)c1 159849825 344153086 /nfs/dbraw/zinc/15/30/86/344153086.db2.gz UIXXOKGCTSPAPA-UHFFFAOYSA-N 0 0 178.279 2.645 10 0 AFAERN Cc1cc(N)cc(N[C@@H](C)C2CC2)c1 159855544 344153089 /nfs/dbraw/zinc/15/30/89/344153089.db2.gz ZBIIENZOJUNZRL-VIFPVBQESA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@H](C)Nc1cc(C)cc(N)c1 159849688 344153106 /nfs/dbraw/zinc/15/31/06/344153106.db2.gz VRUOHQQGINOMSL-VIFPVBQESA-N 0 0 178.279 2.788 10 0 AFAERN CC[C@@H](C)N(C)c1cc(C)cc(N)c1 159853978 344153108 /nfs/dbraw/zinc/15/31/08/344153108.db2.gz GJIUOCRDQZHRGQ-SNVBAGLBSA-N 0 0 192.306 2.812 10 0 AFAERN CCN(c1cc(C)cc(N)c1)C1CC1 159852964 344153184 /nfs/dbraw/zinc/15/31/84/344153184.db2.gz QEBQETKUJWFHJZ-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN Cc1cc(N)cc(NC(C)(C)C)c1 159852320 344153195 /nfs/dbraw/zinc/15/31/95/344153195.db2.gz CUEISQOTBAWTFV-UHFFFAOYSA-N 0 0 178.279 2.788 10 0 AFAERN Cc1cc(N)cc(N[C@H]2CC2(C)C)c1 159859215 344153456 /nfs/dbraw/zinc/15/34/56/344153456.db2.gz ABKZNWSNZPYUDC-NSHDSACASA-N 0 0 190.290 2.788 10 0 AFAERN Cc1cc(N)cc(N2CCC[C@@H]2C)c1 159856506 344153466 /nfs/dbraw/zinc/15/34/66/344153466.db2.gz ZGEFTHUBUOFPDJ-JTQLQIEISA-N 0 0 190.290 2.566 10 0 AFAERN Cc1cc(N)cc(N2CCC[C@H]2C)c1 159856647 344153477 /nfs/dbraw/zinc/15/34/77/344153477.db2.gz ZGEFTHUBUOFPDJ-SNVBAGLBSA-N 0 0 190.290 2.566 10 0 AFAERN Cc1cc(N)cc(N[C@H](C)C2CC2)c1 159855656 344153481 /nfs/dbraw/zinc/15/34/81/344153481.db2.gz ZBIIENZOJUNZRL-SECBINFHSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1cc(N)cc(OC2CCCC2)c1 159864544 344153505 /nfs/dbraw/zinc/15/35/05/344153505.db2.gz CVWYWTKQXRSOBO-UHFFFAOYSA-N 0 0 191.274 2.899 10 0 AFAERN Cc1cc(N)cc(NCCC2CC2)c1 159862475 344153571 /nfs/dbraw/zinc/15/35/71/344153571.db2.gz JUBSZJIURBGZEK-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN Cc1cc(N)cc(N[C@@H]2CC2(C)C)c1 159859092 344153577 /nfs/dbraw/zinc/15/35/77/344153577.db2.gz ABKZNWSNZPYUDC-LLVKDONJSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1cc(N)cc(NC2CCC2)c1 159859964 344153610 /nfs/dbraw/zinc/15/36/10/344153610.db2.gz UENPXMDALUGRMO-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN C[C@H]1CCC[C@@](O)(C2=COCCC2)C1 159924827 344154444 /nfs/dbraw/zinc/15/44/44/344154444.db2.gz VIEOXUQFUKQROY-JQWIXIFHSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1CCC[C@@](O)(C2=COCCC2)C1 159924688 344154482 /nfs/dbraw/zinc/15/44/82/344154482.db2.gz VIEOXUQFUKQROY-PWSUYJOCSA-N 0 0 196.290 2.622 10 0 AFAERN OC1(C2=COCCC2)CCCCCC1 159926672 344154485 /nfs/dbraw/zinc/15/44/85/344154485.db2.gz KEXMBNIGOKKLMI-UHFFFAOYSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@H]1CCC[C@](O)(C2=COCCC2)C1 159924555 344154582 /nfs/dbraw/zinc/15/45/82/344154582.db2.gz VIEOXUQFUKQROY-CMPLNLGQSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(F)cc1C 159935440 344154586 /nfs/dbraw/zinc/15/45/86/344154586.db2.gz DZLWIHBKZHEVNV-SKDRFNHKSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(F)cc1C 159935318 344154610 /nfs/dbraw/zinc/15/46/10/344154610.db2.gz DZLWIHBKZHEVNV-JOYOIKCWSA-N 0 0 194.249 2.752 10 0 AFAERN C[C@@H]1CCC[C@](O)(C2=COCCC2)C1 159924436 344154652 /nfs/dbraw/zinc/15/46/52/344154652.db2.gz VIEOXUQFUKQROY-ZYHUDNBSSA-N 0 0 196.290 2.622 10 0 AFAERN O[C@H](C1=COCCC1)C1CCCCC1 159948382 344155093 /nfs/dbraw/zinc/15/50/93/344155093.db2.gz MZNXRMBCMPPVPM-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN O[C@@H](C1=COCCC1)C1CCCCC1 159948487 344155126 /nfs/dbraw/zinc/15/51/26/344155126.db2.gz MZNXRMBCMPPVPM-GFCCVEGCSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@@H]1CC[C@](O)(C2=COCCC2)C1 159968272 344155388 /nfs/dbraw/zinc/15/53/88/344155388.db2.gz JXZVQXTUBAIFMZ-ZYHUDNBSSA-N 0 0 196.290 2.622 10 0 AFAERN CCC(=O)[C@@H]1CCC[C@H]1CC 159957488 344155409 /nfs/dbraw/zinc/15/54/09/344155409.db2.gz ROKIIPDUAYORQJ-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H]1CC[C@](O)(C2=COCCC2)C1 159968414 344155438 /nfs/dbraw/zinc/15/54/38/344155438.db2.gz JXZVQXTUBAIFMZ-CMPLNLGQSA-N 0 0 196.290 2.622 10 0 AFAERN CCC(=O)[C@H]1CCC[C@H]1CC 159957193 344155450 /nfs/dbraw/zinc/15/54/50/344155450.db2.gz ROKIIPDUAYORQJ-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1ccc(C=O)c(-c2ccccn2)c1 159962194 344155543 /nfs/dbraw/zinc/15/55/43/344155543.db2.gz HCGKTJUOGXNDHC-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCC(=O)[C@H]1CCC[C@@H]1CC 159957329 344155582 /nfs/dbraw/zinc/15/55/82/344155582.db2.gz ROKIIPDUAYORQJ-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)[C@@H]1CCC[C@@H]1CC 159957631 344155627 /nfs/dbraw/zinc/15/56/27/344155627.db2.gz ROKIIPDUAYORQJ-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H]1CC[C@@](O)(C2=COCCC2)C1 159968735 344155651 /nfs/dbraw/zinc/15/56/51/344155651.db2.gz JXZVQXTUBAIFMZ-JQWIXIFHSA-N 0 0 196.290 2.622 10 0 AFAERN CC1(C)CCC[C@@]1(O)C1=COCCC1 159982014 344155981 /nfs/dbraw/zinc/15/59/81/344155981.db2.gz QJIVXLUBSRAXHD-GFCCVEGCSA-N 0 0 196.290 2.622 10 0 AFAERN CC1(C)CCC[C@]1(O)C1=COCCC1 159981873 344156009 /nfs/dbraw/zinc/15/60/09/344156009.db2.gz QJIVXLUBSRAXHD-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)Cc1cc(N)ccc1F 160058998 344157568 /nfs/dbraw/zinc/15/75/68/344157568.db2.gz KMSWLXXJYZVDPO-UHFFFAOYSA-N 0 0 167.227 2.606 10 0 AFAERN Cc1cc(F)cc2ncnc(Cl)c12 160104484 344158115 /nfs/dbraw/zinc/15/81/15/344158115.db2.gz IEGYVXPYFDLLGK-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN Cc1cc(C)c2c(Cl)ncnc2c1 160096636 344158231 /nfs/dbraw/zinc/15/82/31/344158231.db2.gz QCJWJKUZUAIBLN-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN Cc1ccc(F)c2c(Cl)ncnc12 160096907 344158297 /nfs/dbraw/zinc/15/82/97/344158297.db2.gz WPIMCTYOJJIXCG-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN O=C1CCCC[C@H]1C1CCC1 160235047 344160598 /nfs/dbraw/zinc/16/05/98/344160598.db2.gz LRXPEVTVZCNNOB-VIFPVBQESA-N 0 0 152.237 2.546 10 0 AFAERN O=C(CC1CC1)c1ccncc1Cl 160380479 344163839 /nfs/dbraw/zinc/16/38/39/344163839.db2.gz HBVXKFYVWAEUSL-UHFFFAOYSA-N 0 0 195.649 2.718 10 0 AFAERN CC[C@@H]1C[C@H](O)c2cccc(F)c21 160398858 344164343 /nfs/dbraw/zinc/16/43/43/344164343.db2.gz FDGKJNCQUMSDLY-XCBNKYQSSA-N 0 0 180.222 2.756 10 0 AFAERN CC[C@H]1C[C@@H](O)c2cccc(F)c21 160399227 344164462 /nfs/dbraw/zinc/16/44/62/344164462.db2.gz FDGKJNCQUMSDLY-OIBJUYFYSA-N 0 0 180.222 2.756 10 0 AFAERN CC[C@H]1C[C@H](O)c2cccc(F)c21 160398982 344164513 /nfs/dbraw/zinc/16/45/13/344164513.db2.gz FDGKJNCQUMSDLY-XVKPBYJWSA-N 0 0 180.222 2.756 10 0 AFAERN CC[C@@H]1C[C@@H](O)c2cccc(F)c21 160399092 344164626 /nfs/dbraw/zinc/16/46/26/344164626.db2.gz FDGKJNCQUMSDLY-GMSGAONNSA-N 0 0 180.222 2.756 10 0 AFAERN C[C@@H]1C(=O)[C@@H](C)C1c1ccccc1F 160414697 344164971 /nfs/dbraw/zinc/16/49/71/344164971.db2.gz SNUXXHMHWRRODN-YUMQZZPRSA-N 0 0 192.233 2.764 10 0 AFAERN C[C@@H]1C(O)[C@@H](C)C1c1ccccc1F 160415135 344165114 /nfs/dbraw/zinc/16/51/14/344165114.db2.gz XGDUEXNFVCGLKE-DVXAYSFTSA-N 0 0 194.249 2.556 10 0 AFAERN Cc1occc1-c1nc(C=O)cs1 160403891 344165142 /nfs/dbraw/zinc/16/51/42/344165142.db2.gz FMZAEAIYLNMSFW-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN C[C@H]1C(O)[C@H](C)C1c1ccccc1F 160415259 344165151 /nfs/dbraw/zinc/16/51/51/344165151.db2.gz XGDUEXNFVCGLKE-JWWSKVQJSA-N 0 0 194.249 2.556 10 0 AFAERN C[C@H]1C(=O)[C@H](C)C1c1ccccc1F 160414850 344165289 /nfs/dbraw/zinc/16/52/89/344165289.db2.gz SNUXXHMHWRRODN-HTQZYQBOSA-N 0 0 192.233 2.764 10 0 AFAERN Cc1occc1-c1ncc(C=O)s1 160418594 344165707 /nfs/dbraw/zinc/16/57/07/344165707.db2.gz GTTNNSQNFDNUBR-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC1=CC[P@@](=O)(C(C)C)C1 163720557 344227848 /nfs/dbraw/zinc/22/78/48/344227848.db2.gz AJEQBAZZTUDSEX-JTQLQIEISA-N 0 0 158.181 2.718 10 0 AFAERN CCc1csc(-c2ccc[nH]2)n1 160486691 344167009 /nfs/dbraw/zinc/16/70/09/344167009.db2.gz PFNRVZTUOXOLID-UHFFFAOYSA-N 0 0 178.260 2.701 10 0 AFAERN Cc1occc1-c1nc(N)c(C)s1 160456575 344167077 /nfs/dbraw/zinc/16/70/77/344167077.db2.gz HDWYUVZCRLYEHE-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN C[C@H](O)/C=C/c1coc2ccccc12 160504839 344167652 /nfs/dbraw/zinc/16/76/52/344167652.db2.gz QAZJDGZOSNMNCO-UCUJLANTSA-N 0 0 188.226 2.827 10 0 AFAERN Cc1ccc(/C=C/[C@@H](C)O)cc1C 160510870 344167999 /nfs/dbraw/zinc/16/79/99/344167999.db2.gz TUKCTOXGKNQEQX-OKPNEXGHSA-N 0 0 176.259 2.697 10 0 AFAERN Cc1ccc(/C=C/[C@H](C)O)cc1C 160511004 344168086 /nfs/dbraw/zinc/16/80/86/344168086.db2.gz TUKCTOXGKNQEQX-ZRQQLDRUSA-N 0 0 176.259 2.697 10 0 AFAERN Cc1cccc(C)c1/C=C/[C@H](C)O 160508510 344168114 /nfs/dbraw/zinc/16/81/14/344168114.db2.gz PLFJWHCSRVICQA-AEZGRPFRSA-N 0 0 176.259 2.697 10 0 AFAERN Cc1cccc(C)c1/C=C/[C@@H](C)O 160508388 344168133 /nfs/dbraw/zinc/16/81/33/344168133.db2.gz PLFJWHCSRVICQA-WSKFYRRCSA-N 0 0 176.259 2.697 10 0 AFAERN CSc1ccc(/C=C/[C@@H](C)O)cc1 160536418 344168866 /nfs/dbraw/zinc/16/88/66/344168866.db2.gz DPHUOCASSFWMBB-CDAZIORVSA-N 0 0 194.299 2.803 10 0 AFAERN C[C@@H]1CCCN1c1csc(C=O)c1 160533127 344168870 /nfs/dbraw/zinc/16/88/70/344168870.db2.gz CIDXYPSZKCDSEF-MRVPVSSYSA-N 0 0 195.287 2.549 10 0 AFAERN C[C@H]1Nc2cccc(Cl)c2O[C@@H]1C 160533258 344168888 /nfs/dbraw/zinc/16/88/88/344168888.db2.gz VKXUKNLJJDNFQH-RNFRBKRXSA-N 0 0 197.665 2.921 10 0 AFAERN C[C@H]1CCCN1c1csc(C=O)c1 160533265 344168903 /nfs/dbraw/zinc/16/89/03/344168903.db2.gz CIDXYPSZKCDSEF-QMMMGPOBSA-N 0 0 195.287 2.549 10 0 AFAERN C[C@@H]1Nc2cccc(Cl)c2O[C@H]1C 160533132 344168952 /nfs/dbraw/zinc/16/89/52/344168952.db2.gz VKXUKNLJJDNFQH-BQBZGAKWSA-N 0 0 197.665 2.921 10 0 AFAERN CC/C(=C/[C@@H](C)O)c1ccccc1F 160534970 344168958 /nfs/dbraw/zinc/16/89/58/344168958.db2.gz STWCZTSLEACGRQ-URLRMUCDSA-N 0 0 194.249 3.000 10 0 AFAERN CC/C(=C/[C@H](C)O)c1ccccc1F 160535091 344168964 /nfs/dbraw/zinc/16/89/64/344168964.db2.gz STWCZTSLEACGRQ-CUQRQBARSA-N 0 0 194.249 3.000 10 0 AFAERN C[C@@H]1Nc2cccc(Cl)c2O[C@@H]1C 160533384 344169086 /nfs/dbraw/zinc/16/90/86/344169086.db2.gz VKXUKNLJJDNFQH-NKWVEPMBSA-N 0 0 197.665 2.921 10 0 AFAERN Cc1ccc(/C=C/[C@H](C)O)cc1F 160532778 344169111 /nfs/dbraw/zinc/16/91/11/344169111.db2.gz PTHAWVWLBJZRAG-DNQSNQRASA-N 0 0 180.222 2.528 10 0 AFAERN CSc1ccc(/C=C/[C@H](C)O)cc1 160536284 344169126 /nfs/dbraw/zinc/16/91/26/344169126.db2.gz DPHUOCASSFWMBB-NWALNABHSA-N 0 0 194.299 2.803 10 0 AFAERN O=Cc1cc(OC2CCCC2)cs1 160585663 344170703 /nfs/dbraw/zinc/17/07/03/344170703.db2.gz RYHCRISPSDGWOW-UHFFFAOYSA-N 0 0 196.271 2.882 10 0 AFAERN CCSc1csc(C=O)c1 160622145 344172015 /nfs/dbraw/zinc/17/20/15/344172015.db2.gz CAFNIISJMJOTDU-UHFFFAOYSA-N 0 0 172.274 2.673 10 0 AFAERN O=C(C[C@H]1CCOC1)C1CCCCC1 160817492 344178180 /nfs/dbraw/zinc/17/81/80/344178180.db2.gz GVXJMMZHVFPBSU-SNVBAGLBSA-N 0 0 196.290 2.562 10 0 AFAERN O=C(C[C@@H]1CCOC1)C1CCCCC1 160817372 344178235 /nfs/dbraw/zinc/17/82/35/344178235.db2.gz GVXJMMZHVFPBSU-JTQLQIEISA-N 0 0 196.290 2.562 10 0 AFAERN CC(C)=C[C@@H](O)c1ccncc1Cl 160853307 344178769 /nfs/dbraw/zinc/17/87/69/344178769.db2.gz BACZWMWMUZZDMW-SNVBAGLBSA-N 0 0 197.665 2.735 10 0 AFAERN CC(C)=C[C@H](O)c1ccncc1Cl 160853182 344178797 /nfs/dbraw/zinc/17/87/97/344178797.db2.gz BACZWMWMUZZDMW-JTQLQIEISA-N 0 0 197.665 2.735 10 0 AFAERN CC(C)=C[C@H](O)c1ccc(C)nc1C 160860297 344179163 /nfs/dbraw/zinc/17/91/63/344179163.db2.gz WDOGDKJVRSEAKE-LBPRGKRZSA-N 0 0 191.274 2.698 10 0 AFAERN CC(C)=C[C@@H](O)[C@@H]1CCCCS1 160861450 344179342 /nfs/dbraw/zinc/17/93/42/344179342.db2.gz SJMXDYGKOVGHJO-ZJUUUORDSA-N 0 0 186.320 2.599 10 0 AFAERN CC(C)=C[C@H](O)[C@@H]1CCCCS1 160861336 344179369 /nfs/dbraw/zinc/17/93/69/344179369.db2.gz SJMXDYGKOVGHJO-UWVGGRQHSA-N 0 0 186.320 2.599 10 0 AFAERN CC(C)=C[C@@H](O)[C@H]1CCCCS1 160861620 344179432 /nfs/dbraw/zinc/17/94/32/344179432.db2.gz SJMXDYGKOVGHJO-NXEZZACHSA-N 0 0 186.320 2.599 10 0 AFAERN CC(C)=C[C@@H](O)c1ccc(C)nc1C 160860209 344179450 /nfs/dbraw/zinc/17/94/50/344179450.db2.gz WDOGDKJVRSEAKE-GFCCVEGCSA-N 0 0 191.274 2.698 10 0 AFAERN O[C@H](CC1CCCC1)C(F)(F)Cl 160933636 344180989 /nfs/dbraw/zinc/18/09/89/344180989.db2.gz JPDGPNDQEZLACF-SSDOTTSWSA-N 0 0 198.640 2.759 10 0 AFAERN O[C@@H](CC1CCCC1)C(F)(F)Cl 160933512 344181064 /nfs/dbraw/zinc/18/10/64/344181064.db2.gz JPDGPNDQEZLACF-ZETCQYMHSA-N 0 0 198.640 2.759 10 0 AFAERN CC[C@@](C)(OC)c1nc(C)cs1 161033835 344183885 /nfs/dbraw/zinc/18/38/85/344183885.db2.gz RFILUZBXDXKBSY-SECBINFHSA-N 0 0 185.292 2.723 10 0 AFAERN CC[C@](C)(OC)c1nc(C)cs1 161033713 344183950 /nfs/dbraw/zinc/18/39/50/344183950.db2.gz RFILUZBXDXKBSY-VIFPVBQESA-N 0 0 185.292 2.723 10 0 AFAERN C[C@H]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 161117713 344184955 /nfs/dbraw/zinc/18/49/55/344184955.db2.gz UAAGOJGBCFSHSQ-XLPZGREQSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 161117461 344185095 /nfs/dbraw/zinc/18/50/95/344185095.db2.gz UAAGOJGBCFSHSQ-BIIVOSGPSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@@H]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 161117324 344185109 /nfs/dbraw/zinc/18/51/09/344185109.db2.gz UAAGOJGBCFSHSQ-GJMOJQLCSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 161117578 344185152 /nfs/dbraw/zinc/18/51/52/344185152.db2.gz UAAGOJGBCFSHSQ-BWZBUEFSSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@@H]1CCC[C@@](O)(CC2CC2)C1 161144562 344185634 /nfs/dbraw/zinc/18/56/34/344185634.db2.gz HLFUPUXBQLLFNM-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H]1CCC[C@@](O)(CC2CC2)C1 161144708 344185682 /nfs/dbraw/zinc/18/56/82/344185682.db2.gz HLFUPUXBQLLFNM-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H]1CCC[C@](O)(CC2CC2)C1 161144453 344185684 /nfs/dbraw/zinc/18/56/84/344185684.db2.gz HLFUPUXBQLLFNM-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1CCC[C@](O)(CC2CC2)C1 161144336 344185801 /nfs/dbraw/zinc/18/58/01/344185801.db2.gz HLFUPUXBQLLFNM-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1C[C@@H](C)CC(O)(CC2CC2)C1 161162267 344186005 /nfs/dbraw/zinc/18/60/05/344186005.db2.gz OZWDVJPSOXMPFW-NXEZZACHSA-N 0 0 182.307 2.974 10 0 AFAERN OC1(CC2CC2)CCCCCC1 161147509 344186111 /nfs/dbraw/zinc/18/61/11/344186111.db2.gz CQTQSRRZHZYCQN-UHFFFAOYSA-N 0 0 168.280 2.872 10 0 AFAERN O[C@@]1(CC2CC2)CCCc2occc21 161174506 344186259 /nfs/dbraw/zinc/18/62/59/344186259.db2.gz HCEMVMAVXQMFDO-GFCCVEGCSA-N 0 0 192.258 2.604 10 0 AFAERN O[C@@H](CC1CC1)[C@@H]1CC=CCC1 161157967 344186285 /nfs/dbraw/zinc/18/62/85/344186285.db2.gz IPPAWAVUPRSSBE-MNOVXSKESA-N 0 0 166.264 2.504 10 0 AFAERN Nc1cccc(SC2CCC2)c1 161194530 344186694 /nfs/dbraw/zinc/18/66/94/344186694.db2.gz CSHSOGPBYXIBBU-UHFFFAOYSA-N 0 0 179.288 2.913 10 0 AFAERN Nc1ccccc1SC1CCC1 161188661 344186728 /nfs/dbraw/zinc/18/67/28/344186728.db2.gz UZGIZACQQYEUHV-UHFFFAOYSA-N 0 0 179.288 2.913 10 0 AFAERN Nc1ccc(SC2CCC2)cc1 161189466 344186735 /nfs/dbraw/zinc/18/67/35/344186735.db2.gz WFGVWALMADJZLX-UHFFFAOYSA-N 0 0 179.288 2.913 10 0 AFAERN CCc1ccc([C@H](O)C2CCC2)o1 161228670 344187052 /nfs/dbraw/zinc/18/70/52/344187052.db2.gz APKDQEUJKBYTAX-LLVKDONJSA-N 0 0 180.247 2.676 10 0 AFAERN CC1CCC(O)(C2CCC2)CC1 161209123 344187105 /nfs/dbraw/zinc/18/71/05/344187105.db2.gz WPSMRJPWJGSSQB-UHFFFAOYSA-N 0 0 168.280 2.728 10 0 AFAERN OCc1ccc(SC2CCC2)cc1 161207837 344187170 /nfs/dbraw/zinc/18/71/70/344187170.db2.gz DWQNPZMLEBXRNV-UHFFFAOYSA-N 0 0 194.299 2.824 10 0 AFAERN Cc1ccc([C@H](O)C2CCC2)cc1F 161228895 344187174 /nfs/dbraw/zinc/18/71/74/344187174.db2.gz HGSYDNKPXOZBIN-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN CCc1ccc([C@@H](O)C2CCC2)o1 161228780 344187212 /nfs/dbraw/zinc/18/72/12/344187212.db2.gz APKDQEUJKBYTAX-NSHDSACASA-N 0 0 180.247 2.676 10 0 AFAERN C[C@](O)(c1ccccc1)C1CCC1 161212824 344187263 /nfs/dbraw/zinc/18/72/63/344187263.db2.gz DHURKFZCXASTRU-LBPRGKRZSA-N 0 0 176.259 2.694 10 0 AFAERN CC[C@@H]1CC[C@@](O)(C2CCC2)C1 161238928 344187622 /nfs/dbraw/zinc/18/76/22/344187622.db2.gz HSJJCCLKDJUERM-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H]1CC[C@](O)(C2CCC2)C1 161238842 344187680 /nfs/dbraw/zinc/18/76/80/344187680.db2.gz HSJJCCLKDJUERM-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H]1CC[C@@](O)(C2CCC2)C1 161239084 344187794 /nfs/dbraw/zinc/18/77/94/344187794.db2.gz HSJJCCLKDJUERM-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H]1CC[C@](O)(C2CCC2)C1 161238723 344187801 /nfs/dbraw/zinc/18/78/01/344187801.db2.gz HSJJCCLKDJUERM-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN CC1(C)CC[C@@](O)(C2CCC2)C1 161261443 344188197 /nfs/dbraw/zinc/18/81/97/344188197.db2.gz FNERZJPEVVXWPN-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC1(C)CC[C@](O)(C2CCC2)C1 161261350 344188283 /nfs/dbraw/zinc/18/82/83/344188283.db2.gz FNERZJPEVVXWPN-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H]1CCC[C@]1(O)C1CCC1 161282190 344188699 /nfs/dbraw/zinc/18/86/99/344188699.db2.gz QMRXAGNOJIDGOW-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN CCc1cnccc1C(=O)C1CCC1 161305121 344188766 /nfs/dbraw/zinc/18/87/66/344188766.db2.gz MIKDKPUHUHFGDY-UHFFFAOYSA-N 0 0 189.258 2.627 10 0 AFAERN CC[C@@H]1CCC[C@@]1(O)C1CCC1 161282296 344188825 /nfs/dbraw/zinc/18/88/25/344188825.db2.gz QMRXAGNOJIDGOW-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN CCc1cccnc1C(=O)C1CCC1 161305748 344188840 /nfs/dbraw/zinc/18/88/40/344188840.db2.gz KWIRBCRIPWRSHB-UHFFFAOYSA-N 0 0 189.258 2.627 10 0 AFAERN C[C@@](O)(CC1CCC1)C1CCC1 161283206 344188909 /nfs/dbraw/zinc/18/89/09/344188909.db2.gz BQHYGIMKKGIQSF-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN O=C(c1ccc(Cl)cn1)C1CCC1 161301759 344188945 /nfs/dbraw/zinc/18/89/45/344188945.db2.gz LRYGAJDILBQJGB-UHFFFAOYSA-N 0 0 195.649 2.718 10 0 AFAERN C[C@](O)(CC1CCC1)C1CCC1 161283301 344188959 /nfs/dbraw/zinc/18/89/59/344188959.db2.gz BQHYGIMKKGIQSF-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN O=C(c1ccc(Cl)nc1)C1CCC1 161302162 344188986 /nfs/dbraw/zinc/18/89/86/344188986.db2.gz BDKITKZKWNHTLN-UHFFFAOYSA-N 0 0 195.649 2.718 10 0 AFAERN CC[C@H]1CCC[C@@]1(O)C1CCC1 161282399 344189091 /nfs/dbraw/zinc/18/90/91/344189091.db2.gz QMRXAGNOJIDGOW-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H]1CCC[C@]1(O)C1CCC1 161282070 344189095 /nfs/dbraw/zinc/18/90/95/344189095.db2.gz QMRXAGNOJIDGOW-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H](C)[C@@H](O)c1scnc1C 161323193 344189238 /nfs/dbraw/zinc/18/92/38/344189238.db2.gz RBLHEMJKXAOSBN-POYBYMJQSA-N 0 0 185.292 2.531 10 0 AFAERN CC[C@@H]1CC[C@@H]([C@H](O)C2CCC2)C1 161320056 344189339 /nfs/dbraw/zinc/18/93/39/344189339.db2.gz ZLFCMCQTALFRGB-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@@H]1CC[C@H]([C@H](O)C2CCC2)C1 161319812 344189446 /nfs/dbraw/zinc/18/94/46/344189446.db2.gz ZLFCMCQTALFRGB-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1scnc1C 161323072 344189453 /nfs/dbraw/zinc/18/94/53/344189453.db2.gz RBLHEMJKXAOSBN-HTRCEHHLSA-N 0 0 185.292 2.531 10 0 AFAERN CC[C@H](C)[C@H](O)c1scnc1C 161322932 344189456 /nfs/dbraw/zinc/18/94/56/344189456.db2.gz RBLHEMJKXAOSBN-XPUUQOCRSA-N 0 0 185.292 2.531 10 0 AFAERN CC[C@@H](C)[C@H](O)c1scnc1C 161322798 344189498 /nfs/dbraw/zinc/18/94/98/344189498.db2.gz RBLHEMJKXAOSBN-SVRRBLITSA-N 0 0 185.292 2.531 10 0 AFAERN O[C@H](c1ccc(Cl)nc1)C1CCC1 161339936 344189630 /nfs/dbraw/zinc/18/96/30/344189630.db2.gz PNKLZXSZNRSVRF-JTQLQIEISA-N 0 0 197.665 2.569 10 0 AFAERN Cc1cnc([C@@H](O)C2CCC2)c(C)c1 161347524 344189644 /nfs/dbraw/zinc/18/96/44/344189644.db2.gz CLHSQGYWSMKRIE-LBPRGKRZSA-N 0 0 191.274 2.532 10 0 AFAERN O[C@@H](c1ccnc(Cl)c1)C1CCC1 161339523 344189814 /nfs/dbraw/zinc/18/98/14/344189814.db2.gz RXXFTZCENIJMDD-SNVBAGLBSA-N 0 0 197.665 2.569 10 0 AFAERN Cc1ccoc1-c1nc(N)c(C)s1 161348537 344189837 /nfs/dbraw/zinc/18/98/37/344189837.db2.gz DGOQRCDZNNRLCO-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN O[C@H](c1ccnc(Cl)c1)C1CCC1 161339652 344190045 /nfs/dbraw/zinc/19/00/45/344190045.db2.gz RXXFTZCENIJMDD-JTQLQIEISA-N 0 0 197.665 2.569 10 0 AFAERN O[C@@H](c1ccc(Cl)nc1)C1CCC1 161339834 344190055 /nfs/dbraw/zinc/19/00/55/344190055.db2.gz PNKLZXSZNRSVRF-SNVBAGLBSA-N 0 0 197.665 2.569 10 0 AFAERN Cc1cnc([C@H](O)C2CCC2)c(C)c1 161347396 344190075 /nfs/dbraw/zinc/19/00/75/344190075.db2.gz CLHSQGYWSMKRIE-GFCCVEGCSA-N 0 0 191.274 2.532 10 0 AFAERN Clc1cncnc1-c1ccccc1 161373185 344190395 /nfs/dbraw/zinc/19/03/95/344190395.db2.gz YFESGBWAFRJOTF-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN Oc1ccc(-c2ccccn2)c(F)c1 161391177 344190614 /nfs/dbraw/zinc/19/06/14/344190614.db2.gz YZZRIBUYPLEFOM-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN O=C(CC1CCCCC1)[C@H]1CCOC1 161482131 344191889 /nfs/dbraw/zinc/19/18/89/344191889.db2.gz YIOZVMBIOJXKLX-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN O=C(CC1CCCCC1)[C@@H]1CCOC1 161482039 344192114 /nfs/dbraw/zinc/19/21/14/344192114.db2.gz YIOZVMBIOJXKLX-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN Cc1cc(C(=O)[C@@H]2CCCS2)co1 161510595 344192300 /nfs/dbraw/zinc/19/23/00/344192300.db2.gz VFZAMNFZDZFJOA-VIFPVBQESA-N 0 0 196.271 2.666 10 0 AFAERN Cc1cc(C(=O)[C@H]2CCCS2)co1 161510692 344192498 /nfs/dbraw/zinc/19/24/98/344192498.db2.gz VFZAMNFZDZFJOA-SECBINFHSA-N 0 0 196.271 2.666 10 0 AFAERN O[C@@H](CC1CCCC1)c1nccs1 161564195 344193282 /nfs/dbraw/zinc/19/32/82/344193282.db2.gz TUHORPRJHIAMIY-VIFPVBQESA-N 0 0 197.303 2.757 10 0 AFAERN O[C@@H](c1nccs1)C1CCCCC1 161552979 344193348 /nfs/dbraw/zinc/19/33/48/344193348.db2.gz RCUWBHQHANQGJK-SECBINFHSA-N 0 0 197.303 2.757 10 0 AFAERN O[C@H](c1nccs1)C1CCCCC1 161553096 344193583 /nfs/dbraw/zinc/19/35/83/344193583.db2.gz RCUWBHQHANQGJK-VIFPVBQESA-N 0 0 197.303 2.757 10 0 AFAERN Cc1ccc2c(c1)NC[C@H](C)S2 161564011 344193588 /nfs/dbraw/zinc/19/35/88/344193588.db2.gz UYRXUYHSOLQHLH-QMMMGPOBSA-N 0 0 179.288 2.901 10 0 AFAERN Nc1ncc(Cl)cc1C1CCC1 161566370 344193598 /nfs/dbraw/zinc/19/35/98/344193598.db2.gz SNHMZEZCZMLASO-UHFFFAOYSA-N 0 0 182.654 2.585 10 0 AFAERN O[C@H](CC1CCCC1)c1nccs1 161564037 344193658 /nfs/dbraw/zinc/19/36/58/344193658.db2.gz TUHORPRJHIAMIY-SECBINFHSA-N 0 0 197.303 2.757 10 0 AFAERN O=C1CCCC[C@@H](C2CCC2)C1 161567194 344194025 /nfs/dbraw/zinc/19/40/25/344194025.db2.gz DVAWGTBAYZAVPV-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN COc1ccc2c(c1)SCCCN2 161566836 344194083 /nfs/dbraw/zinc/19/40/83/344194083.db2.gz ULNNRCABSSHBKP-UHFFFAOYSA-N 0 0 195.287 2.603 10 0 AFAERN O=C1CCCC[C@H](C2CCC2)C1 161567297 344194174 /nfs/dbraw/zinc/19/41/74/344194174.db2.gz DVAWGTBAYZAVPV-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN CC1(C)CC(C2CCC2)=C[C@@H](O)C1 161589930 344194631 /nfs/dbraw/zinc/19/46/31/344194631.db2.gz AZEFOMBDPZYTLV-LLVKDONJSA-N 0 0 180.291 2.894 10 0 AFAERN CC1(C)CC(C2CCC2)=C[C@H](O)C1 161590028 344194650 /nfs/dbraw/zinc/19/46/50/344194650.db2.gz AZEFOMBDPZYTLV-NSHDSACASA-N 0 0 180.291 2.894 10 0 AFAERN OC[C@H](c1cccc(F)c1)C1CCC1 161620162 344194876 /nfs/dbraw/zinc/19/48/76/344194876.db2.gz WJNRUUBYOJSKLR-LBPRGKRZSA-N 0 0 194.249 2.702 10 0 AFAERN Cc1cc(C=O)ccc1-c1ccncc1 161622686 344194991 /nfs/dbraw/zinc/19/49/91/344194991.db2.gz VXRVBBZQTCBQJJ-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1cc(C=O)ccc1-c1cccnc1 161615571 344195140 /nfs/dbraw/zinc/19/51/40/344195140.db2.gz HLBZPUBAGOFYQB-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN OCC1(C2CCC2)CCCCC1 161610511 344195342 /nfs/dbraw/zinc/19/53/42/344195342.db2.gz NYSZUNBTUZHPOA-UHFFFAOYSA-N 0 0 168.280 2.729 10 0 AFAERN OC[C@@H](c1cccc(F)c1)C1CCC1 161620234 344195345 /nfs/dbraw/zinc/19/53/45/344195345.db2.gz WJNRUUBYOJSKLR-GFCCVEGCSA-N 0 0 194.249 2.702 10 0 AFAERN CCc1ccccc1C(=O)c1ccc[nH]1 161792276 344197996 /nfs/dbraw/zinc/19/79/96/344197996.db2.gz JKKVWDKWFAKDRN-UHFFFAOYSA-N 0 0 199.253 2.808 10 0 AFAERN C[C@H](O)[C@H](C)c1cc2ccccc2o1 161941994 344200999 /nfs/dbraw/zinc/20/09/99/344200999.db2.gz WTMDHFZURINLTQ-IUCAKERBSA-N 0 0 190.242 2.917 10 0 AFAERN C[C@H](O)[C@@H](C)c1cc2ccccc2o1 161941876 344201014 /nfs/dbraw/zinc/20/10/14/344201014.db2.gz WTMDHFZURINLTQ-BDAKNGLRSA-N 0 0 190.242 2.917 10 0 AFAERN C[C@@H](O)[C@@H](C)c1cc2ccccc2o1 161941625 344201030 /nfs/dbraw/zinc/20/10/30/344201030.db2.gz WTMDHFZURINLTQ-RKDXNWHRSA-N 0 0 190.242 2.917 10 0 AFAERN O[C@@H](c1ccncc1Cl)C1CCC1 162092575 344203327 /nfs/dbraw/zinc/20/33/27/344203327.db2.gz KESGAJCIJRPEIQ-SNVBAGLBSA-N 0 0 197.665 2.569 10 0 AFAERN O[C@H](c1ccncc1Cl)C1CCC1 162092705 344203397 /nfs/dbraw/zinc/20/33/97/344203397.db2.gz KESGAJCIJRPEIQ-JTQLQIEISA-N 0 0 197.665 2.569 10 0 AFAERN C[C@H]1SCc2ccccc2C1=O 162070047 344203439 /nfs/dbraw/zinc/20/34/39/344203439.db2.gz HMTWIAPIZDNYMG-SSDOTTSWSA-N 0 0 178.256 2.505 10 0 AFAERN CCc1ccccc1[C@@]1(O)C[C@H]1CC 162179818 344204730 /nfs/dbraw/zinc/20/47/30/344204730.db2.gz VJAJYRILVNBOOT-DGCLKSJQSA-N 0 0 190.286 2.867 10 0 AFAERN CCc1ccccc1[C@@]1(O)C[C@@H]1CC 162179623 344204867 /nfs/dbraw/zinc/20/48/67/344204867.db2.gz VJAJYRILVNBOOT-WCQYABFASA-N 0 0 190.286 2.867 10 0 AFAERN CCc1ccccc1[C@]1(O)C[C@H]1CC 162179711 344204990 /nfs/dbraw/zinc/20/49/90/344204990.db2.gz VJAJYRILVNBOOT-YPMHNXCESA-N 0 0 190.286 2.867 10 0 AFAERN CCc1cccc(C(=O)C2CC2)c1 162358433 344207095 /nfs/dbraw/zinc/20/70/95/344207095.db2.gz CICRQYDZYWKXJF-UHFFFAOYSA-N 0 0 174.243 2.842 10 0 AFAERN C[C@H]1CCSc2ccccc2N1 162386843 344207499 /nfs/dbraw/zinc/20/74/99/344207499.db2.gz PBUDILAQGHBIRS-QMMMGPOBSA-N 0 0 179.288 2.983 10 0 AFAERN CC[C@@H](C)c1cnc(NC)s1 162400148 344207503 /nfs/dbraw/zinc/20/75/03/344207503.db2.gz BXLNQTFZKNOUSN-ZCFIWIBFSA-N 0 0 170.281 2.698 10 0 AFAERN CC[C@H](C)c1cnc(NC)s1 162400270 344207533 /nfs/dbraw/zinc/20/75/33/344207533.db2.gz BXLNQTFZKNOUSN-LURJTMIESA-N 0 0 170.281 2.698 10 0 AFAERN C[C@@H]1CCSc2ccccc2N1 162386714 344207591 /nfs/dbraw/zinc/20/75/91/344207591.db2.gz PBUDILAQGHBIRS-MRVPVSSYSA-N 0 0 179.288 2.983 10 0 AFAERN CNc1ncc(C2CCCC2)s1 162402826 344207664 /nfs/dbraw/zinc/20/76/64/344207664.db2.gz DOLAXQACFXMIMA-UHFFFAOYSA-N 0 0 182.292 2.842 10 0 AFAERN C[C@H]1CNc2ccc(F)cc2S1 162427388 344208011 /nfs/dbraw/zinc/20/80/11/344208011.db2.gz SUIPFWMLQBYOJA-LURJTMIESA-N 0 0 183.251 2.732 10 0 AFAERN COc1ccc2c(c1)NC[C@H](C)S2 162428959 344207968 /nfs/dbraw/zinc/20/79/68/344207968.db2.gz NORGQOFQTVOZQH-ZETCQYMHSA-N 0 0 195.287 2.601 10 0 AFAERN C[C@H]1CNc2c(F)cccc2S1 162427121 344208009 /nfs/dbraw/zinc/20/80/09/344208009.db2.gz GHMUACZLPYUTMN-LURJTMIESA-N 0 0 183.251 2.732 10 0 AFAERN COc1ccc2c(c1)NC[C@@H](C)S2 162428827 344208044 /nfs/dbraw/zinc/20/80/44/344208044.db2.gz NORGQOFQTVOZQH-SSDOTTSWSA-N 0 0 195.287 2.601 10 0 AFAERN CCNc1ncc(C2CCC2)s1 162416610 344208096 /nfs/dbraw/zinc/20/80/96/344208096.db2.gz QDWWUPGIDDMUPN-UHFFFAOYSA-N 0 0 182.292 2.842 10 0 AFAERN Cc1cccc2c1S[C@@H](C)CN2 162425090 344208113 /nfs/dbraw/zinc/20/81/13/344208113.db2.gz HSDCYRPRGMHNNT-QMMMGPOBSA-N 0 0 179.288 2.901 10 0 AFAERN C[C@H]1CNc2cc(F)ccc2S1 162430862 344208466 /nfs/dbraw/zinc/20/84/66/344208466.db2.gz PJSPCPZLMZZMAB-LURJTMIESA-N 0 0 183.251 2.732 10 0 AFAERN COc1ccc2c(c1)S[C@@H](C)CN2 162429496 344208486 /nfs/dbraw/zinc/20/84/86/344208486.db2.gz WXLSCDFUQYMOAX-ZETCQYMHSA-N 0 0 195.287 2.601 10 0 AFAERN COc1ccc2c(c1)S[C@H](C)CN2 162429379 344208540 /nfs/dbraw/zinc/20/85/40/344208540.db2.gz WXLSCDFUQYMOAX-SSDOTTSWSA-N 0 0 195.287 2.601 10 0 AFAERN COc1cccc2c1NC[C@H](C)S2 162433072 344208554 /nfs/dbraw/zinc/20/85/54/344208554.db2.gz BKOBCHOOTCISLH-ZETCQYMHSA-N 0 0 195.287 2.601 10 0 AFAERN Cc1cncc([C@H](O)C2CCCC2)c1 162556903 344209918 /nfs/dbraw/zinc/20/99/18/344209918.db2.gz PGTJUIDQKKVRGK-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN Cc1cncc([C@@H](O)C2CCCC2)c1 162557000 344209949 /nfs/dbraw/zinc/20/99/49/344209949.db2.gz PGTJUIDQKKVRGK-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN CC[C@H](C)C(=O)[C@@]1(C)CCCS1 162601259 344210767 /nfs/dbraw/zinc/21/07/67/344210767.db2.gz LKOLBGOMOROIGU-WCBMZHEXSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)CC(=O)[C@]1(C)CCCS1 162599261 344210782 /nfs/dbraw/zinc/21/07/82/344210782.db2.gz HXCCGTQLGURDHT-JTQLQIEISA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)(C)C(=O)[C@]1(C)CCCS1 162599831 344210794 /nfs/dbraw/zinc/21/07/94/344210794.db2.gz GWGKFZZFVLGBEE-JTQLQIEISA-N 0 0 186.320 2.887 10 0 AFAERN C[C@]1(C(=O)C2CCC2)CCCS1 162600424 344210797 /nfs/dbraw/zinc/21/07/97/344210797.db2.gz XMZORCCSVFAXPZ-SNVBAGLBSA-N 0 0 184.304 2.641 10 0 AFAERN CC(C)(C)C(=O)[C@@]1(C)CCCS1 162599744 344210837 /nfs/dbraw/zinc/21/08/37/344210837.db2.gz GWGKFZZFVLGBEE-SNVBAGLBSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)CC(=O)[C@@]1(C)CCCS1 162599367 344210841 /nfs/dbraw/zinc/21/08/41/344210841.db2.gz HXCCGTQLGURDHT-SNVBAGLBSA-N 0 0 186.320 2.887 10 0 AFAERN CC[C@@H](C)C(=O)[C@@]1(C)CCCS1 162601121 344210883 /nfs/dbraw/zinc/21/08/83/344210883.db2.gz LKOLBGOMOROIGU-PSASIEDQSA-N 0 0 186.320 2.887 10 0 AFAERN CC[C@@H](C)C(=O)[C@]1(C)CCCS1 162600901 344210918 /nfs/dbraw/zinc/21/09/18/344210918.db2.gz LKOLBGOMOROIGU-SCZZXKLOSA-N 0 0 186.320 2.887 10 0 AFAERN C[C@@]1(C(=O)C2CCC2)CCCS1 162600514 344210927 /nfs/dbraw/zinc/21/09/27/344210927.db2.gz XMZORCCSVFAXPZ-JTQLQIEISA-N 0 0 184.304 2.641 10 0 AFAERN CCCC(=O)[C@]1(C)CCCS1 162601380 344210942 /nfs/dbraw/zinc/21/09/42/344210942.db2.gz WZBDGNZQDBTOPP-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CC[C@H](C)C(=O)[C@]1(C)CCCS1 162600998 344210951 /nfs/dbraw/zinc/21/09/51/344210951.db2.gz LKOLBGOMOROIGU-WPRPVWTQSA-N 0 0 186.320 2.887 10 0 AFAERN Fc1cc(Cl)ccc1[C@H]1CO1 162634526 344211773 /nfs/dbraw/zinc/21/17/73/344211773.db2.gz IDCFGTBFMIMIMF-MRVPVSSYSA-N 0 0 172.586 2.550 10 0 AFAERN Fc1cc(Nc2ccccc2)ccn1 162647933 344211797 /nfs/dbraw/zinc/21/17/97/344211797.db2.gz FFYGJOVRMRRNCK-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN Fc1cc(Cl)ccc1[C@@H]1CO1 162634424 344211810 /nfs/dbraw/zinc/21/18/10/344211810.db2.gz IDCFGTBFMIMIMF-QMMMGPOBSA-N 0 0 172.586 2.550 10 0 AFAERN COC(=O)c1cc(C)c(C)c(Cl)c1 162709217 344212107 /nfs/dbraw/zinc/21/21/07/344212107.db2.gz QIWAPEOOTBYZES-UHFFFAOYSA-N 0 0 198.649 2.743 10 0 AFAERN Cc1cc(F)cc(-c2ncc[nH]2)c1 162703494 344212161 /nfs/dbraw/zinc/21/21/61/344212161.db2.gz UYJFQCCFPQWUIQ-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN CC[C@@H]1CNc2c(C)ccnc2S1 162707799 344212224 /nfs/dbraw/zinc/21/22/24/344212224.db2.gz XLTVABJLPRZDHB-MRVPVSSYSA-N 0 0 194.303 2.686 10 0 AFAERN CC[C@H]1CNc2ccc(C)nc2S1 162709379 344212237 /nfs/dbraw/zinc/21/22/37/344212237.db2.gz CTIUBBSPKFAYMC-QMMMGPOBSA-N 0 0 194.303 2.686 10 0 AFAERN COC(=O)c1cc(Cl)cc(C)c1C 162710546 344212255 /nfs/dbraw/zinc/21/22/55/344212255.db2.gz RVKDTMITLIFWAL-UHFFFAOYSA-N 0 0 198.649 2.743 10 0 AFAERN Cc1cc(F)cc(-c2nc(C)c[nH]2)c1 162703685 344212271 /nfs/dbraw/zinc/21/22/71/344212271.db2.gz BPXHJBZRZAKWKB-UHFFFAOYSA-N 0 0 190.221 2.833 10 0 AFAERN CC[C@@H]1CNc2ccc(C)nc2S1 162709267 344212277 /nfs/dbraw/zinc/21/22/77/344212277.db2.gz CTIUBBSPKFAYMC-MRVPVSSYSA-N 0 0 194.303 2.686 10 0 AFAERN CC[C@H]1CNc2c(C)ccnc2S1 162707901 344212307 /nfs/dbraw/zinc/21/23/07/344212307.db2.gz XLTVABJLPRZDHB-QMMMGPOBSA-N 0 0 194.303 2.686 10 0 AFAERN CC[C@H]1CNc2cc(C)cnc2S1 162716671 344212528 /nfs/dbraw/zinc/21/25/28/344212528.db2.gz AIRUJLRYUWWXSP-QMMMGPOBSA-N 0 0 194.303 2.686 10 0 AFAERN CC[C@@H]1CNc2cc(C)cnc2S1 162716553 344212563 /nfs/dbraw/zinc/21/25/63/344212563.db2.gz AIRUJLRYUWWXSP-MRVPVSSYSA-N 0 0 194.303 2.686 10 0 AFAERN CC(C)[C@@H]1CNc2cnccc2S1 162725862 344212608 /nfs/dbraw/zinc/21/26/08/344212608.db2.gz JYSBTLCRWMHQOE-JTQLQIEISA-N 0 0 194.303 2.624 10 0 AFAERN Cc1ccc2c(n1)SC(C)(C)CN2 162728647 344212622 /nfs/dbraw/zinc/21/26/22/344212622.db2.gz UTLMDDGIWHOKEE-UHFFFAOYSA-N 0 0 194.303 2.686 10 0 AFAERN C[NH2+][C@H](C)c1cccc(F)c1Cl 162735873 344213150 /nfs/dbraw/zinc/21/31/50/344213150.db2.gz GGOAOQKIBVBCOE-ZCFIWIBFSA-N 0 0 187.645 2.760 10 0 AFAERN CC(C)[C@H]1CNc2cnccc2S1 162725992 344212723 /nfs/dbraw/zinc/21/27/23/344212723.db2.gz JYSBTLCRWMHQOE-SNVBAGLBSA-N 0 0 194.303 2.624 10 0 AFAERN Cc1cnc2c(c1)NCC(C)(C)S2 162732369 344212728 /nfs/dbraw/zinc/21/27/28/344212728.db2.gz XINPZLQEXOMIOT-UHFFFAOYSA-N 0 0 194.303 2.686 10 0 AFAERN Cc1cnc2c(c1)NC[C@@H](C)CS2 162741922 344213075 /nfs/dbraw/zinc/21/30/75/344213075.db2.gz IGVFIEJDXAMZHZ-MRVPVSSYSA-N 0 0 194.303 2.544 10 0 AFAERN Cc1ccnc2c1NCC[C@@H](C)S2 162744111 344213084 /nfs/dbraw/zinc/21/30/84/344213084.db2.gz ORFFZOJOHIITRI-MRVPVSSYSA-N 0 0 194.303 2.686 10 0 AFAERN Cc1cnc2c(c1)NC[C@H](C)CS2 162742060 344213092 /nfs/dbraw/zinc/21/30/92/344213092.db2.gz IGVFIEJDXAMZHZ-QMMMGPOBSA-N 0 0 194.303 2.544 10 0 AFAERN C[C@H]1CNc2ccc(F)cc2SC1 162737354 344213104 /nfs/dbraw/zinc/21/31/04/344213104.db2.gz PKAIUODNFPTFTK-ZETCQYMHSA-N 0 0 197.278 2.979 10 0 AFAERN Cc1ccc2c(n1)SC[C@@H](C)CN2 162735348 344213157 /nfs/dbraw/zinc/21/31/57/344213157.db2.gz LFJSCTOCMGCXIC-ZETCQYMHSA-N 0 0 194.303 2.544 10 0 AFAERN C[C@H]1CNc2c(F)cccc2SC1 162737126 344213161 /nfs/dbraw/zinc/21/31/61/344213161.db2.gz MMIPMYBPTZBVKJ-ZETCQYMHSA-N 0 0 197.278 2.979 10 0 AFAERN Cc1ccnc2c1NC[C@H](C)CS2 162733750 344213169 /nfs/dbraw/zinc/21/31/69/344213169.db2.gz PJVQSJCMAQNMKE-ZETCQYMHSA-N 0 0 194.303 2.544 10 0 AFAERN C[C@@H]1CNc2c(F)cccc2SC1 162737002 344213175 /nfs/dbraw/zinc/21/31/75/344213175.db2.gz MMIPMYBPTZBVKJ-SSDOTTSWSA-N 0 0 197.278 2.979 10 0 AFAERN Cc1ccnc2c1NC[C@@H](C)CS2 162733866 344213176 /nfs/dbraw/zinc/21/31/76/344213176.db2.gz PJVQSJCMAQNMKE-SSDOTTSWSA-N 0 0 194.303 2.544 10 0 AFAERN C[NH2+][C@@H](C)c1cccc(F)c1Cl 162735739 344213178 /nfs/dbraw/zinc/21/31/78/344213178.db2.gz GGOAOQKIBVBCOE-LURJTMIESA-N 0 0 187.645 2.760 10 0 AFAERN C[C@@H]1CNc2cc(F)ccc2SC1 162740505 344213197 /nfs/dbraw/zinc/21/31/97/344213197.db2.gz CJRYUQLFMFVJPP-SSDOTTSWSA-N 0 0 197.278 2.979 10 0 AFAERN Cc1ccc2c(n1)SC[C@H](C)CN2 162735228 344213200 /nfs/dbraw/zinc/21/32/00/344213200.db2.gz LFJSCTOCMGCXIC-SSDOTTSWSA-N 0 0 194.303 2.544 10 0 AFAERN C[C@H]1CNc2cc(F)ccc2SC1 162740644 344213203 /nfs/dbraw/zinc/21/32/03/344213203.db2.gz CJRYUQLFMFVJPP-ZETCQYMHSA-N 0 0 197.278 2.979 10 0 AFAERN Cc1ccc2c(n1)S[C@H](C)CCN2 162745516 344213225 /nfs/dbraw/zinc/21/32/25/344213225.db2.gz RKINOSRYMDCERT-MRVPVSSYSA-N 0 0 194.303 2.686 10 0 AFAERN C[C@@H]1CNc2ccc(F)cc2SC1 162737250 344213240 /nfs/dbraw/zinc/21/32/40/344213240.db2.gz PKAIUODNFPTFTK-SSDOTTSWSA-N 0 0 197.278 2.979 10 0 AFAERN Cc1ccnc2c1NCC[C@H](C)S2 162744010 344213255 /nfs/dbraw/zinc/21/32/55/344213255.db2.gz ORFFZOJOHIITRI-QMMMGPOBSA-N 0 0 194.303 2.686 10 0 AFAERN Cc1cnc2c(c1)NCC[C@@H](C)S2 162752192 344213547 /nfs/dbraw/zinc/21/35/47/344213547.db2.gz VGNGUHCJRCHYNK-MRVPVSSYSA-N 0 0 194.303 2.686 10 0 AFAERN Cc1cnc2c(c1)NCC[C@H](C)S2 162752306 344213633 /nfs/dbraw/zinc/21/36/33/344213633.db2.gz VGNGUHCJRCHYNK-QMMMGPOBSA-N 0 0 194.303 2.686 10 0 AFAERN CCC(C)(C)C(=O)C(C)C 162795341 344214083 /nfs/dbraw/zinc/21/40/83/344214083.db2.gz RJKMZBWVYZUKLA-UHFFFAOYSA-N 0 0 142.242 2.648 10 0 AFAERN O=C1CCC[C@@H]1[C@H]1C=CCCC1 162796715 344213812 /nfs/dbraw/zinc/21/38/12/344213812.db2.gz KELUKTLSZDYADR-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)C(=O)C1C(C)(C)C1(C)C 162802427 344213896 /nfs/dbraw/zinc/21/38/96/344213896.db2.gz FGSDJIAZJBEVQM-UHFFFAOYSA-N 0 0 168.280 2.894 10 0 AFAERN CCCC(=O)c1ccoc1C 162801064 344213939 /nfs/dbraw/zinc/21/39/39/344213939.db2.gz AJXVVSNJSLMPNE-UHFFFAOYSA-N 0 0 152.193 2.571 10 0 AFAERN CC(C)C(=O)C1(C)CCCC1 162799744 344213981 /nfs/dbraw/zinc/21/39/81/344213981.db2.gz LJVXJCVEWQIVGZ-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN O=C1CCC[C@@H]1[C@@H]1C=CCCC1 162796840 344214015 /nfs/dbraw/zinc/21/40/15/344214015.db2.gz KELUKTLSZDYADR-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@H](C(=O)C(C)(C)C)C1CC1 162801969 344214059 /nfs/dbraw/zinc/21/40/59/344214059.db2.gz LLYMIVNQZORLRF-ZETCQYMHSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)C[C@@H]1C=CCCC1 162806374 344214088 /nfs/dbraw/zinc/21/40/88/344214088.db2.gz ZHRPLNYOFHQZDB-SECBINFHSA-N 0 0 152.237 2.712 10 0 AFAERN CCC(=O)C1(CC)CCCC1 162797743 344214091 /nfs/dbraw/zinc/21/40/91/344214091.db2.gz ASUHYUXEANHSSA-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN C[C@@H](C(=O)C(C)(C)C)C1CC1 162802088 344214097 /nfs/dbraw/zinc/21/40/97/344214097.db2.gz LLYMIVNQZORLRF-SSDOTTSWSA-N 0 0 154.253 2.648 10 0 AFAERN CSc1cc(Cl)ccc1C=O 162790324 344214102 /nfs/dbraw/zinc/21/41/02/344214102.db2.gz XQASSXQOVDKZGC-UHFFFAOYSA-N 0 0 186.663 2.874 10 0 AFAERN CCC(=O)C[C@H]1C=CCCC1 162806266 344214123 /nfs/dbraw/zinc/21/41/23/344214123.db2.gz ZHRPLNYOFHQZDB-VIFPVBQESA-N 0 0 152.237 2.712 10 0 AFAERN O=C1CCC[C@H]1[C@H]1C=CCCC1 162796501 344214144 /nfs/dbraw/zinc/21/41/44/344214144.db2.gz KELUKTLSZDYADR-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN O=C1CCC[C@H]1[C@@H]1C=CCCC1 162796603 344214164 /nfs/dbraw/zinc/21/41/64/344214164.db2.gz KELUKTLSZDYADR-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CCC(=O)C1(C)CCCC1 162803941 344214182 /nfs/dbraw/zinc/21/41/82/344214182.db2.gz GZIBPKCDJTWEDE-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN C[C@H](Nc1nccs1)C(C)(C)C 162840882 344214410 /nfs/dbraw/zinc/21/44/10/344214410.db2.gz XOEUNGKGURTLPL-ZETCQYMHSA-N 0 0 184.308 2.990 10 0 AFAERN C[C@@H](Nc1nccs1)C(C)(C)C 162840976 344214455 /nfs/dbraw/zinc/21/44/55/344214455.db2.gz XOEUNGKGURTLPL-SSDOTTSWSA-N 0 0 184.308 2.990 10 0 AFAERN Cc1nnc(N[C@H](C)C(C)(C)C)s1 162842392 344214475 /nfs/dbraw/zinc/21/44/75/344214475.db2.gz GUECGDFXNUCLID-ZCFIWIBFSA-N 0 0 199.323 2.693 10 0 AFAERN Cc1nccnc1N[C@@H](C)C(C)(C)C 162839734 344214658 /nfs/dbraw/zinc/21/46/58/344214658.db2.gz ZBNKRRKUDPBFSL-VIFPVBQESA-N 0 0 193.294 2.632 10 0 AFAERN Cc1nccnc1N[C@H](C)C(C)(C)C 162839796 344214685 /nfs/dbraw/zinc/21/46/85/344214685.db2.gz ZBNKRRKUDPBFSL-SECBINFHSA-N 0 0 193.294 2.632 10 0 AFAERN Cc1nnc(N[C@@H](C)C(C)(C)C)s1 162842315 344214705 /nfs/dbraw/zinc/21/47/05/344214705.db2.gz GUECGDFXNUCLID-LURJTMIESA-N 0 0 199.323 2.693 10 0 AFAERN CCc1nccn1[C@@H]1C=CCCC1 162865866 344214989 /nfs/dbraw/zinc/21/49/89/344214989.db2.gz DILYCPNJQCYEPL-SNVBAGLBSA-N 0 0 176.263 2.727 10 0 AFAERN C[C@H](n1cc[nH]c1=S)C(C)(C)C 162855396 344215044 /nfs/dbraw/zinc/21/50/44/344215044.db2.gz NARGSBHAVSCLAL-ZETCQYMHSA-N 0 0 184.308 2.779 10 0 AFAERN CCc1nccn1[C@H]1C=CCCC1 162865753 344215201 /nfs/dbraw/zinc/21/52/01/344215201.db2.gz DILYCPNJQCYEPL-JTQLQIEISA-N 0 0 176.263 2.727 10 0 AFAERN C[C@@H](n1cc[nH]c1=S)C(C)(C)C 162855514 344215291 /nfs/dbraw/zinc/21/52/91/344215291.db2.gz NARGSBHAVSCLAL-SSDOTTSWSA-N 0 0 184.308 2.779 10 0 AFAERN Cc1cccc(C)c1CC(=O)C1CC1 162890166 344215462 /nfs/dbraw/zinc/21/54/62/344215462.db2.gz NAKLCEDFONCXHD-UHFFFAOYSA-N 0 0 188.270 2.825 10 0 AFAERN COc1cc(NC2CCC2)ccc1F 162897504 344215658 /nfs/dbraw/zinc/21/56/58/344215658.db2.gz JJFRNJYHMQFEAN-UHFFFAOYSA-N 0 0 195.237 2.799 10 0 AFAERN C[C@H](n1cnnc1Cl)C(C)(C)C 162907957 344215722 /nfs/dbraw/zinc/21/57/22/344215722.db2.gz BOXLCCUVSDZCLQ-LURJTMIESA-N 0 0 187.674 2.539 10 0 AFAERN C[C@@H](n1cnnc1Cl)C(C)(C)C 162908103 344215732 /nfs/dbraw/zinc/21/57/32/344215732.db2.gz BOXLCCUVSDZCLQ-ZCFIWIBFSA-N 0 0 187.674 2.539 10 0 AFAERN Cc1ccncc1N[C@H](C)CC1CC1 162945014 344216482 /nfs/dbraw/zinc/21/64/82/344216482.db2.gz DVZZXIKTBHLDCM-SNVBAGLBSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccncc1N[C@@H](C)CC1CC1 162944889 344216676 /nfs/dbraw/zinc/21/66/76/344216676.db2.gz DVZZXIKTBHLDCM-JTQLQIEISA-N 0 0 190.290 2.991 10 0 AFAERN Cc1cc(F)cc2c(Cl)n[nH]c12 162971641 344216861 /nfs/dbraw/zinc/21/68/61/344216861.db2.gz BLKQOKXJJJNLMZ-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN Cc1cc2c(Cl)n[nH]c2cc1F 162972422 344217160 /nfs/dbraw/zinc/21/71/60/344217160.db2.gz JWKPCMSIAGCLIU-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN Cc1cc(C)c2c(Cl)n[nH]c2c1 162972303 344217221 /nfs/dbraw/zinc/21/72/21/344217221.db2.gz SAFUXAFCWCZXLP-UHFFFAOYSA-N 0 0 180.638 2.833 10 0 AFAERN c1cncc(OCc2ccsc2)c1 163010931 344217769 /nfs/dbraw/zinc/21/77/69/344217769.db2.gz DDNBLIIAORFNNT-UHFFFAOYSA-N 0 0 191.255 2.722 10 0 AFAERN CCN(C)c1cc(Cl)ccc1C=O 163024688 344218045 /nfs/dbraw/zinc/21/80/45/344218045.db2.gz VDNMALDHEHMXAF-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN C[C@@H](CNc1nncs1)C(C)(C)C 163025121 344218084 /nfs/dbraw/zinc/21/80/84/344218084.db2.gz JFZZMYKNPRLONV-ZETCQYMHSA-N 0 0 199.323 2.632 10 0 AFAERN Nc1cccc(F)c1OCC1CCC1 163025122 344218241 /nfs/dbraw/zinc/21/82/41/344218241.db2.gz KAKYXSFTWWIPDN-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN C[C@H]1C[C@H]1Nc1cccc(Cl)c1N 163076837 344218572 /nfs/dbraw/zinc/21/85/72/344218572.db2.gz CLVOCYSAUCMKEA-IMTBSYHQSA-N 0 0 196.681 2.743 10 0 AFAERN C[C@H]1C[C@@H]1Nc1cccc(Cl)c1N 163076644 344218576 /nfs/dbraw/zinc/21/85/76/344218576.db2.gz CLVOCYSAUCMKEA-RCOVLWMOSA-N 0 0 196.681 2.743 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1cccc(Cl)c1N 163076544 344218633 /nfs/dbraw/zinc/21/86/33/344218633.db2.gz CLVOCYSAUCMKEA-MUWHJKNJSA-N 0 0 196.681 2.743 10 0 AFAERN Nc1c(Cl)cccc1NC1CCC1 163076435 344218640 /nfs/dbraw/zinc/21/86/40/344218640.db2.gz ACWJROAMRPETIA-UHFFFAOYSA-N 0 0 196.681 2.887 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)C1CCCCCC1 163036073 344218670 /nfs/dbraw/zinc/21/86/70/344218670.db2.gz KNRVWWPSQFZVST-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)C1CCCCCC1 163035861 344218675 /nfs/dbraw/zinc/21/86/75/344218675.db2.gz KNRVWWPSQFZVST-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1C[C@H]1Nc1cccc(Cl)c1N 163076760 344218760 /nfs/dbraw/zinc/21/87/60/344218760.db2.gz CLVOCYSAUCMKEA-HZGVNTEJSA-N 0 0 196.681 2.743 10 0 AFAERN C[C@@H](CNc1ccncn1)C(C)(C)C 163045714 344218836 /nfs/dbraw/zinc/21/88/36/344218836.db2.gz OHVJUHDAJMRDDS-VIFPVBQESA-N 0 0 193.294 2.571 10 0 AFAERN CN(c1cccc(Cl)c1N)C1CC1 163044645 344218864 /nfs/dbraw/zinc/21/88/64/344218864.db2.gz ZKRATSHLIOZOFO-UHFFFAOYSA-N 0 0 196.681 2.521 10 0 AFAERN CC(C)n1cc(OC2CCCC2)cn1 163083624 344219169 /nfs/dbraw/zinc/21/91/69/344219169.db2.gz LRRIRQBBEXZRPY-UHFFFAOYSA-N 0 0 194.278 2.785 10 0 AFAERN C[C@@H]1CNc2c(Cl)cccc2N1C 163193221 344220154 /nfs/dbraw/zinc/22/01/54/344220154.db2.gz MDJYRYXCUDFFTH-SSDOTTSWSA-N 0 0 196.681 2.590 10 0 AFAERN CC[C@@H]1CNc2c(Cl)cccc2N1 163190257 344220228 /nfs/dbraw/zinc/22/02/28/344220228.db2.gz JQQUDFVKFYFYTM-SSDOTTSWSA-N 0 0 196.681 2.956 10 0 AFAERN C[C@H]1CNc2c(Cl)cccc2N1 163187836 344220355 /nfs/dbraw/zinc/22/03/55/344220355.db2.gz YFCKWYLGCUXXQK-LURJTMIESA-N 0 0 182.654 2.566 10 0 AFAERN CCN1CCNc2c(Cl)cccc21 163193453 344220366 /nfs/dbraw/zinc/22/03/66/344220366.db2.gz YKUBDBDDQYZQQG-UHFFFAOYSA-N 0 0 196.681 2.592 10 0 AFAERN C[C@@H]1CNc2c(Cl)cccc2N1 163187719 344220397 /nfs/dbraw/zinc/22/03/97/344220397.db2.gz YFCKWYLGCUXXQK-ZCFIWIBFSA-N 0 0 182.654 2.566 10 0 AFAERN CN1CCCNc2c(Cl)cccc21 163194795 344220460 /nfs/dbraw/zinc/22/04/60/344220460.db2.gz KJIOXVHSSKBCFJ-UHFFFAOYSA-N 0 0 196.681 2.592 10 0 AFAERN C[C@H]1CNc2c(Cl)cccc2N1C 163193332 344220469 /nfs/dbraw/zinc/22/04/69/344220469.db2.gz MDJYRYXCUDFFTH-ZETCQYMHSA-N 0 0 196.681 2.590 10 0 AFAERN CC1(C)CNc2c(Cl)cccc2N1 163192288 344220503 /nfs/dbraw/zinc/22/05/03/344220503.db2.gz RPXJAOSDZVLKKE-UHFFFAOYSA-N 0 0 196.681 2.956 10 0 AFAERN C[C@H]1CCNc2c(Cl)cccc2N1 163190617 344220505 /nfs/dbraw/zinc/22/05/05/344220505.db2.gz OMITVQXMYGUTCX-ZETCQYMHSA-N 0 0 196.681 2.956 10 0 AFAERN Clc1cccc2c1NCC1(CC1)N2 163191280 344220513 /nfs/dbraw/zinc/22/05/13/344220513.db2.gz DTIPHKVYHKQXPG-UHFFFAOYSA-N 0 0 194.665 2.710 10 0 AFAERN CC[C@H]1CNc2c(Cl)cccc2N1 163190376 344220540 /nfs/dbraw/zinc/22/05/40/344220540.db2.gz JQQUDFVKFYFYTM-ZETCQYMHSA-N 0 0 196.681 2.956 10 0 AFAERN C[C@@H]1CCNc2c(Cl)cccc2N1 163190493 344220638 /nfs/dbraw/zinc/22/06/38/344220638.db2.gz OMITVQXMYGUTCX-SSDOTTSWSA-N 0 0 196.681 2.956 10 0 AFAERN CC[C@H](O)c1ccc2[nH]ccc2c1 163290371 344221502 /nfs/dbraw/zinc/22/15/02/344221502.db2.gz MAEIPYFXZJOVJO-NSHDSACASA-N 0 0 175.231 2.611 10 0 AFAERN CC[C@@H](O)c1ccc2[nH]ccc2c1 163290445 344221550 /nfs/dbraw/zinc/22/15/50/344221550.db2.gz MAEIPYFXZJOVJO-LLVKDONJSA-N 0 0 175.231 2.611 10 0 AFAERN OC1(c2ccc3[nH]ccc3c2)CCC1 163313799 344222105 /nfs/dbraw/zinc/22/21/05/344222105.db2.gz IPIVAUPUKFCSHN-UHFFFAOYSA-N 0 0 187.242 2.539 10 0 AFAERN CC[C@@](C)(O)Cc1ccc(F)cc1C 163317712 344222133 /nfs/dbraw/zinc/22/21/33/344222133.db2.gz DMVRMEJPOFBCGR-GFCCVEGCSA-N 0 0 196.265 2.838 10 0 AFAERN Cc1cc(F)ccc1C[C@@H](C)[C@H](C)O 163375605 344222415 /nfs/dbraw/zinc/22/24/15/344222415.db2.gz PSIKMKPDBOPFRC-SCZZXKLOSA-N 0 0 196.265 2.694 10 0 AFAERN Cc1cc(F)ccc1C[C@@H](C)[C@@H](C)O 163375370 344222457 /nfs/dbraw/zinc/22/24/57/344222457.db2.gz PSIKMKPDBOPFRC-PSASIEDQSA-N 0 0 196.265 2.694 10 0 AFAERN Cc1cc(F)ccc1CC(=O)C(C)C 163340941 344222522 /nfs/dbraw/zinc/22/25/22/344222522.db2.gz DLFINPUZQRBFCB-UHFFFAOYSA-N 0 0 194.249 2.902 10 0 AFAERN C[C@H](C(=O)c1cccs1)C1CC1 163378252 344222668 /nfs/dbraw/zinc/22/26/68/344222668.db2.gz VWADQXWAPBYXJN-ZETCQYMHSA-N 0 0 180.272 2.977 10 0 AFAERN Cc1cc(F)ccc1C[C@H](C)[C@@H](C)O 163375482 344222675 /nfs/dbraw/zinc/22/26/75/344222675.db2.gz PSIKMKPDBOPFRC-WCBMZHEXSA-N 0 0 196.265 2.694 10 0 AFAERN C[C@@H](C(=O)c1cccs1)C1CC1 163378383 344222730 /nfs/dbraw/zinc/22/27/30/344222730.db2.gz VWADQXWAPBYXJN-SSDOTTSWSA-N 0 0 180.272 2.977 10 0 AFAERN Cc1ccc(C(=O)[C@H](C)C2CC2)o1 163393602 344222884 /nfs/dbraw/zinc/22/28/84/344222884.db2.gz BNUTZRWXYFIUHT-MRVPVSSYSA-N 0 0 178.231 2.817 10 0 AFAERN Cc1ccc(C(=O)[C@@H](C)C2CC2)o1 163393504 344223186 /nfs/dbraw/zinc/22/31/86/344223186.db2.gz BNUTZRWXYFIUHT-QMMMGPOBSA-N 0 0 178.231 2.817 10 0 AFAERN Cc1cc(F)cc2c1CSCC2=O 163457991 344223687 /nfs/dbraw/zinc/22/36/87/344223687.db2.gz RROYJMMVQFCNLE-UHFFFAOYSA-N 0 0 196.246 2.564 10 0 AFAERN CC(C)[C@H](C)Nc1ncncc1Cl 163580752 344225125 /nfs/dbraw/zinc/22/51/25/344225125.db2.gz ZYAMLZMJJSOEJQ-ZETCQYMHSA-N 0 0 199.685 2.586 10 0 AFAERN CC(C)[C@@H](C)Nc1ncncc1Cl 163580673 344225196 /nfs/dbraw/zinc/22/51/96/344225196.db2.gz ZYAMLZMJJSOEJQ-SSDOTTSWSA-N 0 0 199.685 2.586 10 0 AFAERN C[C@H](C(=O)[C@H]1CCCCS1)C1CC1 163633977 344225655 /nfs/dbraw/zinc/22/56/55/344225655.db2.gz BFZNCNFODYNAIV-WCBMZHEXSA-N 0 0 198.331 2.887 10 0 AFAERN C[C@@H](C(=O)[C@@H]1CCCCS1)C1CC1 163633874 344225766 /nfs/dbraw/zinc/22/57/66/344225766.db2.gz BFZNCNFODYNAIV-SCZZXKLOSA-N 0 0 198.331 2.887 10 0 AFAERN CC[C@H](C)CNc1ncncc1Cl 163610313 344225807 /nfs/dbraw/zinc/22/58/07/344225807.db2.gz YZJMPHAMJOZDSJ-ZETCQYMHSA-N 0 0 199.685 2.588 10 0 AFAERN C[C@H](C(=O)[C@@H]1CCCCS1)C1CC1 163633749 344225850 /nfs/dbraw/zinc/22/58/50/344225850.db2.gz BFZNCNFODYNAIV-WPRPVWTQSA-N 0 0 198.331 2.887 10 0 AFAERN C[C@@H](C(=O)[C@H]1CCCCS1)C1CC1 163634109 344225882 /nfs/dbraw/zinc/22/58/82/344225882.db2.gz BFZNCNFODYNAIV-PSASIEDQSA-N 0 0 198.331 2.887 10 0 AFAERN CCC(C)(C)Nc1ncncc1Cl 163647559 344226073 /nfs/dbraw/zinc/22/60/73/344226073.db2.gz KEVVSGDFUNPHGV-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN CN(C)Cc1nc(C(C)(C)C)cs1 163657131 344226318 /nfs/dbraw/zinc/22/63/18/344226318.db2.gz PDSKKMNZFFUNSR-UHFFFAOYSA-N 0 0 198.335 2.502 10 0 AFAERN C/C(=C/CO)C1CCCCC1 163697462 344226859 /nfs/dbraw/zinc/22/68/59/344226859.db2.gz CLHWBNOQRBONKB-CLFYSBASSA-N 0 0 154.253 2.505 10 0 AFAERN CC(C)(C)CC(=O)c1ccncc1F 163707170 344227401 /nfs/dbraw/zinc/22/74/01/344227401.db2.gz GQISRJDXKQOYBG-UHFFFAOYSA-N 0 0 195.237 2.840 10 0 AFAERN Cc1occc1C(=O)CC(C)C 163723199 344227762 /nfs/dbraw/zinc/22/77/62/344227762.db2.gz TVWLZGJORNJRRS-UHFFFAOYSA-N 0 0 166.220 2.817 10 0 AFAERN CC1=CC[P@](=O)(C(C)C)C1 163720448 344227972 /nfs/dbraw/zinc/22/79/72/344227972.db2.gz AJEQBAZZTUDSEX-SNVBAGLBSA-N 0 0 158.181 2.718 10 0 AFAERN CC1=CC[P@](=O)(CC(C)C)C1 163719726 344227976 /nfs/dbraw/zinc/22/79/76/344227976.db2.gz YEUFVMJHWWVXSQ-NSHDSACASA-N 0 0 172.208 2.965 10 0 AFAERN CC1=CC[P@@](=O)(CC(C)C)C1 163719843 344228088 /nfs/dbraw/zinc/22/80/88/344228088.db2.gz YEUFVMJHWWVXSQ-LLVKDONJSA-N 0 0 172.208 2.965 10 0 AFAERN Cc1occc1C(=O)c1ccsc1 163734111 344228477 /nfs/dbraw/zinc/22/84/77/344228477.db2.gz SJFSUAPSVBRPJG-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1occc1C(=O)CC1CCC1 163741487 344228629 /nfs/dbraw/zinc/22/86/29/344228629.db2.gz CZYVWSAILVESPW-UHFFFAOYSA-N 0 0 178.231 2.961 10 0 AFAERN Cc1occc1C(=O)C1CCCC1 163735829 344228703 /nfs/dbraw/zinc/22/87/03/344228703.db2.gz MMRKGRNNHYWVML-UHFFFAOYSA-N 0 0 178.231 2.961 10 0 AFAERN Clc1ncncc1-c1cccs1 163782938 344229733 /nfs/dbraw/zinc/22/97/33/344229733.db2.gz JHLQJUDLMXEGKI-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Cc1ccc(F)cc1C[C@H](O)C(C)C 163855049 344231004 /nfs/dbraw/zinc/23/10/04/344231004.db2.gz MOJNFBLKVYGNOP-LBPRGKRZSA-N 0 0 196.265 2.694 10 0 AFAERN CC[C@](C)(O)Cc1cc(F)ccc1C 163850929 344231034 /nfs/dbraw/zinc/23/10/34/344231034.db2.gz GQWFGQIWZGIQQL-LBPRGKRZSA-N 0 0 196.265 2.838 10 0 AFAERN CC(=O)[C@@H](C)Cc1cc(F)ccc1C 163835695 344231098 /nfs/dbraw/zinc/23/10/98/344231098.db2.gz GCLGSPUUSYEBGE-VIFPVBQESA-N 0 0 194.249 2.902 10 0 AFAERN CC(=O)[C@H](C)Cc1cc(F)ccc1C 163835601 344231165 /nfs/dbraw/zinc/23/11/65/344231165.db2.gz GCLGSPUUSYEBGE-SECBINFHSA-N 0 0 194.249 2.902 10 0 AFAERN CC[C@@](C)(O)Cc1cc(F)ccc1C 163851037 344231290 /nfs/dbraw/zinc/23/12/90/344231290.db2.gz GQWFGQIWZGIQQL-GFCCVEGCSA-N 0 0 196.265 2.838 10 0 AFAERN Cc1ccoc1C(=O)C1CCCC1 163869818 344231684 /nfs/dbraw/zinc/23/16/84/344231684.db2.gz DZGUZBXCNWVOCS-UHFFFAOYSA-N 0 0 178.231 2.961 10 0 AFAERN Cc1ccoc1C(=O)C(C)(C)C 163865185 344231724 /nfs/dbraw/zinc/23/17/24/344231724.db2.gz AAELKXAXCUOGGU-UHFFFAOYSA-N 0 0 166.220 2.817 10 0 AFAERN Cc1ccoc1C(=O)c1ccsc1 163868166 344231732 /nfs/dbraw/zinc/23/17/32/344231732.db2.gz BYRPNUSSSUULDC-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN CC[C@H](C)C(=O)c1occc1C 163868844 344231734 /nfs/dbraw/zinc/23/17/34/344231734.db2.gz OCPSVRWXZBMZFW-ZETCQYMHSA-N 0 0 166.220 2.817 10 0 AFAERN Cc1ccc(F)cc1C[C@@H](O)C(C)C 163855175 344231775 /nfs/dbraw/zinc/23/17/75/344231775.db2.gz MOJNFBLKVYGNOP-GFCCVEGCSA-N 0 0 196.265 2.694 10 0 AFAERN C[C@H](C1CC1)[C@@H](O)c1ccccc1 163882635 344232071 /nfs/dbraw/zinc/23/20/71/344232071.db2.gz YVJXPWFRLYXQTQ-BXKDBHETSA-N 0 0 176.259 2.766 10 0 AFAERN Cc1ccoc1C(=O)CC1CC1 163875210 344232116 /nfs/dbraw/zinc/23/21/16/344232116.db2.gz AFDSRKAGXLUEMF-UHFFFAOYSA-N 0 0 164.204 2.571 10 0 AFAERN C[C@@H](C1CC1)[C@H](O)c1ccccc1 163882391 344232125 /nfs/dbraw/zinc/23/21/25/344232125.db2.gz YVJXPWFRLYXQTQ-CABZTGNLSA-N 0 0 176.259 2.766 10 0 AFAERN C[C@@H](C1CC1)[C@@H](O)c1ccccc1 163882552 344232133 /nfs/dbraw/zinc/23/21/33/344232133.db2.gz YVJXPWFRLYXQTQ-JOYOIKCWSA-N 0 0 176.259 2.766 10 0 AFAERN C[C@@H](C1CC1)[C@@H](O)c1ccc(F)cc1 163881987 344232155 /nfs/dbraw/zinc/23/21/55/344232155.db2.gz JGMCNSKURMSMTC-QPUJVOFHSA-N 0 0 194.249 2.905 10 0 AFAERN C[C@H](C1CC1)[C@H](O)c1ccccc1 163882473 344232212 /nfs/dbraw/zinc/23/22/12/344232212.db2.gz YVJXPWFRLYXQTQ-SKDRFNHKSA-N 0 0 176.259 2.766 10 0 AFAERN C[C@@H](C1CC1)[C@H](O)c1ccc(F)cc1 163881843 344232225 /nfs/dbraw/zinc/23/22/25/344232225.db2.gz JGMCNSKURMSMTC-UFBFGSQYSA-N 0 0 194.249 2.905 10 0 AFAERN C[C@H](C1CC1)[C@H](O)c1ccc(F)cc1 163881934 344232259 /nfs/dbraw/zinc/23/22/59/344232259.db2.gz JGMCNSKURMSMTC-PELKAZGASA-N 0 0 194.249 2.905 10 0 AFAERN C[C@H](C1CC1)[C@@H](O)c1ccc(F)cc1 163882082 344232401 /nfs/dbraw/zinc/23/24/01/344232401.db2.gz JGMCNSKURMSMTC-PRHODGIISA-N 0 0 194.249 2.905 10 0 AFAERN Cc1ccoc1[C@@H](N)c1ccsc1 163904248 344232636 /nfs/dbraw/zinc/23/26/36/344232636.db2.gz ZFFJFNQNZYSICQ-VIFPVBQESA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccoc1[C@H](N)c1ccsc1 163904135 344232971 /nfs/dbraw/zinc/23/29/71/344232971.db2.gz ZFFJFNQNZYSICQ-SECBINFHSA-N 0 0 193.271 2.698 10 0 AFAERN C[C@H](C1CC1)[C@@H](O)C1=CCCC1 163911675 344233120 /nfs/dbraw/zinc/23/31/20/344233120.db2.gz CWFNLEKOCYNHPY-LDYMZIIASA-N 0 0 166.264 2.504 10 0 AFAERN OCCCCc1cc2ccccc2o1 163927016 344233132 /nfs/dbraw/zinc/23/31/32/344233132.db2.gz WRFCBMQOXGZRBI-UHFFFAOYSA-N 0 0 190.242 2.748 10 0 AFAERN C[C@H](C1CC1)[C@H](O)C1=CCCC1 163911503 344233308 /nfs/dbraw/zinc/23/33/08/344233308.db2.gz CWFNLEKOCYNHPY-KCJUWKMLSA-N 0 0 166.264 2.504 10 0 AFAERN C[C@@H](C1CC1)[C@@H](O)C1=CCCC1 163911595 344233447 /nfs/dbraw/zinc/23/34/47/344233447.db2.gz CWFNLEKOCYNHPY-GZMMTYOYSA-N 0 0 166.264 2.504 10 0 AFAERN C[C@@H](C1CC1)[C@H](O)C1=CCCC1 163911418 344233466 /nfs/dbraw/zinc/23/34/66/344233466.db2.gz CWFNLEKOCYNHPY-KWQFWETISA-N 0 0 166.264 2.504 10 0 AFAERN Cc1ccc(F)cc1Cn1cccc1 163943313 344233983 /nfs/dbraw/zinc/23/39/83/344233983.db2.gz YOGHXKVQSFYMAJ-UHFFFAOYSA-N 0 0 189.233 2.984 10 0 AFAERN Fc1cc(F)c2nc(C3CC3)[nH]c2c1 163969226 344234567 /nfs/dbraw/zinc/23/45/67/344234567.db2.gz MVSFARMMYLYKCM-UHFFFAOYSA-N 0 0 194.184 2.719 10 0 AFAERN CCC(=O)c1sccc1CC 164023239 344234823 /nfs/dbraw/zinc/23/48/23/344234823.db2.gz MTXXOMSHWOWFDR-UHFFFAOYSA-N 0 0 168.261 2.903 10 0 AFAERN CS[C@@H](C)CNc1ccc(C)cn1 164005851 344234864 /nfs/dbraw/zinc/23/48/64/344234864.db2.gz CKLFBGPNWJNAHQ-VIFPVBQESA-N 0 0 196.319 2.553 10 0 AFAERN CCCC(=O)c1ccc(F)c(OC)c1 164037425 344235434 /nfs/dbraw/zinc/23/54/34/344235434.db2.gz IHISXGKDFVAJAH-UHFFFAOYSA-N 0 0 196.221 2.817 10 0 AFAERN CCC(=O)c1c(C)oc(C)c1C 164024177 344235472 /nfs/dbraw/zinc/23/54/72/344235472.db2.gz DZCQXBMRGJTPEI-UHFFFAOYSA-N 0 0 166.220 2.798 10 0 AFAERN Cc1nc2c(s1)CCc1occc1-2 164110185 344237349 /nfs/dbraw/zinc/23/73/49/344237349.db2.gz CADJIWPFOYMHNU-UHFFFAOYSA-N 0 0 191.255 2.810 10 0 AFAERN CC[C@@H]1CCC[C@H]1n1nc(C)cc1N 164175196 344238653 /nfs/dbraw/zinc/23/86/53/344238653.db2.gz FBPANUCPDUQDPJ-NXEZZACHSA-N 0 0 193.294 2.525 10 0 AFAERN CC/C(=C/[C@@H](C)O)c1cccc(F)c1 164182846 344238656 /nfs/dbraw/zinc/23/86/56/344238656.db2.gz MDYMZHIMJKSTAY-SBMLRHLQSA-N 0 0 194.249 3.000 10 0 AFAERN CC[C@@H]1CCC[C@@H]1n1nc(C)cc1N 164174946 344238675 /nfs/dbraw/zinc/23/86/75/344238675.db2.gz FBPANUCPDUQDPJ-ZJUUUORDSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@H]1CCC[C@H]1n1nc(C)cc1N 164175306 344238697 /nfs/dbraw/zinc/23/86/97/344238697.db2.gz FBPANUCPDUQDPJ-VHSXEESVSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@H]1CCC[C@@H]1n1nc(C)cc1N 164175076 344238922 /nfs/dbraw/zinc/23/89/22/344238922.db2.gz FBPANUCPDUQDPJ-UWVGGRQHSA-N 0 0 193.294 2.525 10 0 AFAERN CC/C(=C/[C@H](C)O)c1cccc(F)c1 164182959 344238945 /nfs/dbraw/zinc/23/89/45/344238945.db2.gz MDYMZHIMJKSTAY-CBFJXKFUSA-N 0 0 194.249 3.000 10 0 AFAERN Cc1occc1C(=O)C1CCC1 164205703 344239140 /nfs/dbraw/zinc/23/91/40/344239140.db2.gz JLTHGDUEOWOXTP-UHFFFAOYSA-N 0 0 164.204 2.571 10 0 AFAERN CC(C)(C)CC(=O)C1CCC1 164204684 344239367 /nfs/dbraw/zinc/23/93/67/344239367.db2.gz LZXFTZHZHHMPGI-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1ccoc1C(=O)C1CCC1 164205835 344239416 /nfs/dbraw/zinc/23/94/16/344239416.db2.gz FZEXNCCZPAVKTO-UHFFFAOYSA-N 0 0 164.204 2.571 10 0 AFAERN Cc1cc(F)c(Cl)c(F)c1 164225453 344239674 /nfs/dbraw/zinc/23/96/74/344239674.db2.gz NZNUNUKOVOJLFR-UHFFFAOYSA-N 0 0 162.566 2.927 10 0 AFAERN CCCc1cocc1C 164230124 344239938 /nfs/dbraw/zinc/23/99/38/344239938.db2.gz OQVOPDLCFUPWRS-UHFFFAOYSA-N 0 0 124.183 2.541 10 0 AFAERN Cc1cccc2c1NCCS2 164295845 344240714 /nfs/dbraw/zinc/24/07/14/344240714.db2.gz QHBAWHZASSKDAZ-UHFFFAOYSA-N 0 0 165.261 2.513 10 0 AFAERN CCC(=O)C[C@@H]1CNc2ccccc21 164349218 344242617 /nfs/dbraw/zinc/24/26/17/344242617.db2.gz JBZCNWPVXPNANK-SECBINFHSA-N 0 0 189.258 2.565 10 0 AFAERN CCC(=O)C[C@H]1CNc2ccccc21 164349321 344242903 /nfs/dbraw/zinc/24/29/03/344242903.db2.gz JBZCNWPVXPNANK-VIFPVBQESA-N 0 0 189.258 2.565 10 0 AFAERN Clc1ccc(-c2nccs2)nc1 164366304 344243212 /nfs/dbraw/zinc/24/32/12/344243212.db2.gz ITGHYWMGVCOQEP-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN C[C@H](c1nnc(Cl)s1)C1CC1 164493685 344245821 /nfs/dbraw/zinc/24/58/21/344245821.db2.gz QEXGPLBAIANSJO-BYPYZUCNSA-N 0 0 188.683 2.705 10 0 AFAERN C/C=C(\C)C(=O)O[C@H]1C=CCCC1 164484649 344245867 /nfs/dbraw/zinc/24/58/67/344245867.db2.gz DBUGDHGZBRWTGB-RZCNENHTSA-N 0 0 180.247 2.605 10 0 AFAERN C[C@@H](c1nnc(Cl)s1)C1CC1 164493562 344245915 /nfs/dbraw/zinc/24/59/15/344245915.db2.gz QEXGPLBAIANSJO-SCSAIBSYSA-N 0 0 188.683 2.705 10 0 AFAERN C/C=C(\C)C(=O)O[C@@H]1C=CCCC1 164484780 344245918 /nfs/dbraw/zinc/24/59/18/344245918.db2.gz DBUGDHGZBRWTGB-OTVCUZDGSA-N 0 0 180.247 2.605 10 0 AFAERN Cc1ccc(N[C@@H](C)C2(C)CC2)cn1 164569653 344246706 /nfs/dbraw/zinc/24/67/06/344246706.db2.gz VBCNAASIBIMJSO-JTQLQIEISA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccc(NCC2CCCC2)cn1 164554858 344246836 /nfs/dbraw/zinc/24/68/36/344246836.db2.gz RNZOHESSBZOSQX-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN Cc1ccc(N[C@H](C)C2(C)CC2)cn1 164569731 344246966 /nfs/dbraw/zinc/24/69/66/344246966.db2.gz VBCNAASIBIMJSO-SNVBAGLBSA-N 0 0 190.290 2.991 10 0 AFAERN CCOC(=O)N1CC[C@@H](C(C)(C)C)C1 164611011 344247800 /nfs/dbraw/zinc/24/78/00/344247800.db2.gz PQWMHIBYVARFJJ-SECBINFHSA-N 0 0 199.294 2.511 10 0 AFAERN CCOC(=O)N1CC[C@H](C(C)(C)C)C1 164610886 344247808 /nfs/dbraw/zinc/24/78/08/344247808.db2.gz PQWMHIBYVARFJJ-VIFPVBQESA-N 0 0 199.294 2.511 10 0 AFAERN CC(=O)c1csc(C)c1C 164672576 344249523 /nfs/dbraw/zinc/24/95/23/344249523.db2.gz UDYCXZPSJYRBEA-UHFFFAOYSA-N 0 0 154.234 2.568 10 0 AFAERN Cc1csc(-c2ccc(F)cn2)n1 164681657 344249766 /nfs/dbraw/zinc/24/97/66/344249766.db2.gz WKAMKZCCSSTVQG-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1csc(C2(C)CC2)n1 164685688 344249863 /nfs/dbraw/zinc/24/98/63/344249863.db2.gz FXLZUIKKRBIXBY-UHFFFAOYSA-N 0 0 153.250 2.503 10 0 AFAERN Cc1csc(-c2ncccc2C)n1 164686539 344249918 /nfs/dbraw/zinc/24/99/18/344249918.db2.gz OIWLVYJNUOWNLD-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1csc([C@]2(C)CCCCO2)n1 164685456 344250021 /nfs/dbraw/zinc/25/00/21/344250021.db2.gz GHYXPSZQQCIAJV-JTQLQIEISA-N 0 0 197.303 2.867 10 0 AFAERN Cc1cnc(-c2nccs2)c(C)c1 164699955 344250043 /nfs/dbraw/zinc/25/00/43/344250043.db2.gz VTGFXZIWODKWTQ-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1csc([C@@]2(C)CCCCO2)n1 164685574 344250079 /nfs/dbraw/zinc/25/00/79/344250079.db2.gz GHYXPSZQQCIAJV-SNVBAGLBSA-N 0 0 197.303 2.867 10 0 AFAERN Cc1csc(-c2ccncc2C)n1 164692330 344250109 /nfs/dbraw/zinc/25/01/09/344250109.db2.gz UBBMTIQQEMSPFU-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1cccc(-c2nccs2)n1 164696167 344250149 /nfs/dbraw/zinc/25/01/49/344250149.db2.gz ZDUJNCKJBMMSTQ-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1cccc(-c2nc(C)cs2)n1 164688248 344250186 /nfs/dbraw/zinc/25/01/86/344250186.db2.gz XJVQCGQFOVSUNP-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CC(C)c1csc(-c2ncc[nH]2)n1 164706635 344250419 /nfs/dbraw/zinc/25/04/19/344250419.db2.gz LJWMMPKILHHMNO-UHFFFAOYSA-N 0 0 193.275 2.657 10 0 AFAERN CCc1csc([C@H]2C[C@@H]2C)n1 164719179 344250548 /nfs/dbraw/zinc/25/05/48/344250548.db2.gz ZBXVXQWAKSJQGD-XPUUQOCRSA-N 0 0 167.277 2.829 10 0 AFAERN CC[C@@H](C)Cc1nnc(Cl)s1 164716310 344250563 /nfs/dbraw/zinc/25/05/63/344250563.db2.gz KUUZFZVFGQKWMG-RXMQYKEDSA-N 0 0 190.699 2.780 10 0 AFAERN CC[C@H](C)Cc1nnc(Cl)s1 164716422 344250569 /nfs/dbraw/zinc/25/05/69/344250569.db2.gz KUUZFZVFGQKWMG-YFKPBYRVSA-N 0 0 190.699 2.780 10 0 AFAERN CCc1csc([C@H]2C[C@H]2C)n1 164719424 344250622 /nfs/dbraw/zinc/25/06/22/344250622.db2.gz ZBXVXQWAKSJQGD-SVRRBLITSA-N 0 0 167.277 2.829 10 0 AFAERN COC(C)(C)c1nc(C2CC2)cs1 164716940 344250627 /nfs/dbraw/zinc/25/06/27/344250627.db2.gz VKVYRHMFBWJWIF-UHFFFAOYSA-N 0 0 197.303 2.902 10 0 AFAERN C[C@@]1(C(=O)c2ccoc2)CCCS1 164734337 344250943 /nfs/dbraw/zinc/25/09/43/344250943.db2.gz WFQICFGXEFCDCE-JTQLQIEISA-N 0 0 196.271 2.748 10 0 AFAERN Cc1cnc(-c2ccoc2)s1 164740489 344251011 /nfs/dbraw/zinc/25/10/11/344251011.db2.gz SECZZSUXUMSAHQ-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN CCc1csc([C@]2(C)CCCO2)n1 164726325 344251032 /nfs/dbraw/zinc/25/10/32/344251032.db2.gz KBHTYAPNQNPRGA-JTQLQIEISA-N 0 0 197.303 2.731 10 0 AFAERN C[C@]1(C(=O)c2ccoc2)CCCS1 164734224 344251094 /nfs/dbraw/zinc/25/10/94/344251094.db2.gz WFQICFGXEFCDCE-SNVBAGLBSA-N 0 0 196.271 2.748 10 0 AFAERN CCc1csc([C@@]2(C)CCCO2)n1 164726433 344251132 /nfs/dbraw/zinc/25/11/32/344251132.db2.gz KBHTYAPNQNPRGA-SNVBAGLBSA-N 0 0 197.303 2.731 10 0 AFAERN Cc1cnc(C(C)(C)C)s1 164738601 344251140 /nfs/dbraw/zinc/25/11/40/344251140.db2.gz ZPPAFGGDEWACHQ-UHFFFAOYSA-N 0 0 155.266 2.749 10 0 AFAERN Cc1cnc(-c2ccncc2F)s1 164749105 344251265 /nfs/dbraw/zinc/25/12/65/344251265.db2.gz SXLZPNUVEKJETQ-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1cnc(-c2cncs2)s1 164743240 344251296 /nfs/dbraw/zinc/25/12/96/344251296.db2.gz XVQUBFMBEGSFQV-UHFFFAOYSA-N 0 0 182.273 2.575 10 0 AFAERN Cc1ccc(NCC2CCC2)cn1 164753063 344251380 /nfs/dbraw/zinc/25/13/80/344251380.db2.gz LFMOPRPSALMBJI-UHFFFAOYSA-N 0 0 176.263 2.602 10 0 AFAERN Cc1cnc(-c2ccncc2C)s1 164755075 344251449 /nfs/dbraw/zinc/25/14/49/344251449.db2.gz KTIBQLMQBZSZMK-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CCO[C@@H](C)c1ncc(C)s1 164757992 344251457 /nfs/dbraw/zinc/25/14/57/344251457.db2.gz ZBSRTCRGQRIMJD-ZETCQYMHSA-N 0 0 171.265 2.549 10 0 AFAERN Cc1cnc(-c2ccc(F)cn2)s1 164743103 344251491 /nfs/dbraw/zinc/25/14/91/344251491.db2.gz DDAAHWDSWASZSA-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1cnc(C2CCC2)s1 164747883 344251545 /nfs/dbraw/zinc/25/15/45/344251545.db2.gz JLLDCRRMPQSGBT-UHFFFAOYSA-N 0 0 153.250 2.719 10 0 AFAERN CCO[C@H](C)c1ncc(C)s1 164758101 344251551 /nfs/dbraw/zinc/25/15/51/344251551.db2.gz ZBSRTCRGQRIMJD-SSDOTTSWSA-N 0 0 171.265 2.549 10 0 AFAERN Cc1cnc(C[C@@H]2CCCCO2)s1 164746226 344251585 /nfs/dbraw/zinc/25/15/85/344251585.db2.gz YOMDXTGISJVNMN-VIFPVBQESA-N 0 0 197.303 2.563 10 0 AFAERN Cc1cnc(C[C@H]2CCCCO2)s1 164746343 344251591 /nfs/dbraw/zinc/25/15/91/344251591.db2.gz YOMDXTGISJVNMN-SECBINFHSA-N 0 0 197.303 2.563 10 0 AFAERN CCc1cnc([C@H]2C[C@@H]2C)s1 164762537 344251703 /nfs/dbraw/zinc/25/17/03/344251703.db2.gz HRPYMSOYBWTGJR-XPUUQOCRSA-N 0 0 167.277 2.829 10 0 AFAERN CCc1cnc([C@@H]2C[C@@H]2C)s1 164762427 344251837 /nfs/dbraw/zinc/25/18/37/344251837.db2.gz HRPYMSOYBWTGJR-POYBYMJQSA-N 0 0 167.277 2.829 10 0 AFAERN CCc1cnc([C@@H]2CCCOC2)s1 164772336 344251841 /nfs/dbraw/zinc/25/18/41/344251841.db2.gz DCDARJMQHOCSGU-MRVPVSSYSA-N 0 0 197.303 2.600 10 0 AFAERN CCc1cnc(C2CCC2)s1 164769896 344251848 /nfs/dbraw/zinc/25/18/48/344251848.db2.gz XGXVBEQGGFLOIY-UHFFFAOYSA-N 0 0 167.277 2.973 10 0 AFAERN CCc1cnc([C@H]2C[C@H]2C)s1 164762783 344251856 /nfs/dbraw/zinc/25/18/56/344251856.db2.gz HRPYMSOYBWTGJR-SVRRBLITSA-N 0 0 167.277 2.829 10 0 AFAERN CCc1cnc(-c2ccco2)s1 164768801 344251880 /nfs/dbraw/zinc/25/18/80/344251880.db2.gz XWWFIPXRFLKNIZ-UHFFFAOYSA-N 0 0 179.244 2.966 10 0 AFAERN CCc1cnc(CC(F)(F)F)s1 164759497 344251883 /nfs/dbraw/zinc/25/18/83/344251883.db2.gz JOATVASLDOABFC-UHFFFAOYSA-N 0 0 195.209 2.810 10 0 AFAERN CCc1cnc(C2CCOCC2)s1 164764998 344251895 /nfs/dbraw/zinc/25/18/95/344251895.db2.gz WPBZZRPQXWZXHE-UHFFFAOYSA-N 0 0 197.303 2.600 10 0 AFAERN CCc1cnc(C2CC2)s1 164768662 344251932 /nfs/dbraw/zinc/25/19/32/344251932.db2.gz RVWTZNOGUBSHAG-UHFFFAOYSA-N 0 0 153.250 2.583 10 0 AFAERN CCc1cnc(C(C)(C)OC)s1 164776677 344252088 /nfs/dbraw/zinc/25/20/88/344252088.db2.gz WFZFDIYXQDSJPO-UHFFFAOYSA-N 0 0 185.292 2.587 10 0 AFAERN CCc1cnc(-c2cscn2)s1 164772924 344252143 /nfs/dbraw/zinc/25/21/43/344252143.db2.gz XMRUSCULEHOIIC-UHFFFAOYSA-N 0 0 196.300 2.829 10 0 AFAERN CCc1cnc([C@@]2(C)CCCO2)s1 164773173 344252175 /nfs/dbraw/zinc/25/21/75/344252175.db2.gz JNGBONGHBVHMQD-SNVBAGLBSA-N 0 0 197.303 2.731 10 0 AFAERN CC(C)c1cnc(-c2ncc[nH]2)s1 164780509 344252204 /nfs/dbraw/zinc/25/22/04/344252204.db2.gz WDAPVUGVIQWMFN-UHFFFAOYSA-N 0 0 193.275 2.657 10 0 AFAERN Cc1ncc(C(C)C)s1 164777279 344252226 /nfs/dbraw/zinc/25/22/26/344252226.db2.gz KNIWILBLQUFLNN-UHFFFAOYSA-N 0 0 141.239 2.575 10 0 AFAERN CCc1cnc([C@]2(C)CCCO2)s1 164773049 344252269 /nfs/dbraw/zinc/25/22/69/344252269.db2.gz JNGBONGHBVHMQD-JTQLQIEISA-N 0 0 197.303 2.731 10 0 AFAERN CC(C)c1cnc([C@@H]2CCOC2)s1 164782095 344252345 /nfs/dbraw/zinc/25/23/45/344252345.db2.gz OHNNIRCLRZQQJO-MRVPVSSYSA-N 0 0 197.303 2.770 10 0 AFAERN CC(C)c1cnc([C@H]2CCOC2)s1 164782208 344252358 /nfs/dbraw/zinc/25/23/58/344252358.db2.gz OHNNIRCLRZQQJO-QMMMGPOBSA-N 0 0 197.303 2.770 10 0 AFAERN Fc1ccc(-n2ccc(Cl)n2)cc1 164799156 344252623 /nfs/dbraw/zinc/25/26/23/344252623.db2.gz JYXPRCHLYJJGER-UHFFFAOYSA-N 0 0 196.612 2.665 10 0 AFAERN CC[P@](C)(=O)Oc1ccccc1 164833318 344253110 /nfs/dbraw/zinc/25/31/10/344253110.db2.gz OMTGNUCMEIUEDS-GFCCVEGCSA-N 0 0 184.175 2.993 10 0 AFAERN CC[P@@](C)(=O)Oc1ccccc1 164833431 344253550 /nfs/dbraw/zinc/25/35/50/344253550.db2.gz OMTGNUCMEIUEDS-LBPRGKRZSA-N 0 0 184.175 2.993 10 0 AFAERN Cc1ccc(C=O)cc1OC(C)(C)C 164884707 344254051 /nfs/dbraw/zinc/25/40/51/344254051.db2.gz VLLWJGACPUQVLS-UHFFFAOYSA-N 0 0 192.258 2.985 10 0 AFAERN CC(C)Oc1nc(Cl)cs1 164917176 344254246 /nfs/dbraw/zinc/25/42/46/344254246.db2.gz CUVHDOYASWWCFI-UHFFFAOYSA-N 0 0 177.656 2.584 10 0 AFAERN Cc1ccc(-n2c(C)ccc2C)cn1 164919065 344254549 /nfs/dbraw/zinc/25/45/49/344254549.db2.gz WTEPKXJTUOGSRR-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN Clc1csc(OCC2CC2)n1 164919650 344254676 /nfs/dbraw/zinc/25/46/76/344254676.db2.gz GAMBUMQZSIFGCH-UHFFFAOYSA-N 0 0 189.667 2.585 10 0 AFAERN CC[C@H](C)Oc1nc(Cl)cs1 164924680 344254743 /nfs/dbraw/zinc/25/47/43/344254743.db2.gz XURORWHYNXHFDK-YFKPBYRVSA-N 0 0 191.683 2.974 10 0 AFAERN CC(C)(C)Oc1nc(Cl)cs1 164921075 344254828 /nfs/dbraw/zinc/25/48/28/344254828.db2.gz CEICINPHKLQIBW-UHFFFAOYSA-N 0 0 191.683 2.974 10 0 AFAERN CCCOc1nc(Cl)cs1 164924177 344254897 /nfs/dbraw/zinc/25/48/97/344254897.db2.gz KUGKYBHRJSFESM-UHFFFAOYSA-N 0 0 177.656 2.585 10 0 AFAERN CC[C@@H](C)Oc1nc(Cl)cs1 164924562 344254905 /nfs/dbraw/zinc/25/49/05/344254905.db2.gz XURORWHYNXHFDK-RXMQYKEDSA-N 0 0 191.683 2.974 10 0 AFAERN Cc1ccc(C=O)cc1-c1ccccn1 164935581 344255006 /nfs/dbraw/zinc/25/50/06/344255006.db2.gz MBUJUEJTBUMVEC-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN C/C=C/COc1nc(Cl)cs1 164942496 344255168 /nfs/dbraw/zinc/25/51/68/344255168.db2.gz RNPASPZHDDCWPR-NSCUHMNNSA-N 0 0 189.667 2.751 10 0 AFAERN Clc1csc(OC2CCC2)n1 164942378 344255294 /nfs/dbraw/zinc/25/52/94/344255294.db2.gz SZAYDUKPFANVTF-UHFFFAOYSA-N 0 0 189.667 2.728 10 0 AFAERN CC(=O)N(c1ccc(F)cc1)C(C)C 164952720 344255591 /nfs/dbraw/zinc/25/55/91/344255591.db2.gz TUAGWTVPGFPLND-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN CCCNc1nc(Cl)cs1 164966889 344255856 /nfs/dbraw/zinc/25/58/56/344255856.db2.gz JOXBJSQLYNUDPC-UHFFFAOYSA-N 0 0 176.672 2.618 10 0 AFAERN Cc1ccc2c(c1)NCC(C)(C)CN2 164977601 344256008 /nfs/dbraw/zinc/25/60/08/344256008.db2.gz XDRJLMPFVSAOQL-UHFFFAOYSA-N 0 0 190.290 2.859 10 0 AFAERN CCc1cc(F)cc(Cl)c1N 165009837 344257019 /nfs/dbraw/zinc/25/70/19/344257019.db2.gz ZZHJOZYUJALDMG-UHFFFAOYSA-N 0 0 173.618 2.624 10 0 AFAERN C[C@H]1C[C@@H]1Nc1nc(Cl)cs1 165023489 344257090 /nfs/dbraw/zinc/25/70/90/344257090.db2.gz XKKRDFWOJOEARK-WHFBIAKZSA-N 0 0 188.683 2.617 10 0 AFAERN C[C@@H]1C[C@H]1Nc1nc(Cl)cs1 165023596 344257142 /nfs/dbraw/zinc/25/71/42/344257142.db2.gz XKKRDFWOJOEARK-RFZPGFLSSA-N 0 0 188.683 2.617 10 0 AFAERN C[C@H]1C[C@H]1Nc1nc(Cl)cs1 165023723 344257183 /nfs/dbraw/zinc/25/71/83/344257183.db2.gz XKKRDFWOJOEARK-CRCLSJGQSA-N 0 0 188.683 2.617 10 0 AFAERN CNc1c(F)cc(Cl)cc1F 165036266 344257255 /nfs/dbraw/zinc/25/72/55/344257255.db2.gz GAYNNBOIEWISEP-UHFFFAOYSA-N 0 0 177.581 2.660 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1nc(Cl)cs1 165023382 344257256 /nfs/dbraw/zinc/25/72/56/344257256.db2.gz XKKRDFWOJOEARK-UHNVWZDZSA-N 0 0 188.683 2.617 10 0 AFAERN Cc1ccoc1-c1nc(C=O)cs1 165056438 344257374 /nfs/dbraw/zinc/25/73/74/344257374.db2.gz OPOGBGLAWWUCAE-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1ccoc1-c1nccc(Cl)n1 165057351 344257569 /nfs/dbraw/zinc/25/75/69/344257569.db2.gz KYGVAVGTVOXIFK-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CNc1c(F)cc(F)cc1Cl 165056515 344257695 /nfs/dbraw/zinc/25/76/95/344257695.db2.gz SQVOTLHHRXAXRK-UHFFFAOYSA-N 0 0 177.581 2.660 10 0 AFAERN CC[C@H](C)[C@H](O)c1occc1C 165090285 344258053 /nfs/dbraw/zinc/25/80/53/344258053.db2.gz JYDMTYYCBDUUDB-CBAPKCEASA-N 0 0 168.236 2.668 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1occc1C 165090386 344258141 /nfs/dbraw/zinc/25/81/41/344258141.db2.gz JYDMTYYCBDUUDB-VXNVDRBHSA-N 0 0 168.236 2.668 10 0 AFAERN C/C=C\C[C@@H](O)C1CCCCC1 165127086 344258321 /nfs/dbraw/zinc/25/83/21/344258321.db2.gz QDRYSPHAXFUGLT-OTDNITJGSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1csc2nc(C(C)C)cn12 165195012 344259623 /nfs/dbraw/zinc/25/96/23/344259623.db2.gz GTVQKULGIQMFCL-UHFFFAOYSA-N 0 0 180.276 2.828 10 0 AFAERN CCSc1nc(Cl)cs1 165245646 344260593 /nfs/dbraw/zinc/26/05/93/344260593.db2.gz UYVGDLRGVLWBQZ-UHFFFAOYSA-N 0 0 179.697 2.909 10 0 AFAERN Oc1ccccc1-c1ccsn1 165299320 344261511 /nfs/dbraw/zinc/26/15/11/344261511.db2.gz LKBJEPCFZDEPJF-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN Clc1cc(-c2cscn2)ccn1 165355868 344262597 /nfs/dbraw/zinc/26/25/97/344262597.db2.gz RNUKXWSQXXXWJR-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN CCc1nc2cc(F)c(Cl)cc2[nH]1 165374821 344263151 /nfs/dbraw/zinc/26/31/51/344263151.db2.gz IJYKUTOHKYDREI-UHFFFAOYSA-N 0 0 198.628 2.918 10 0 AFAERN C=C=COCCCCCC 165428598 344263736 /nfs/dbraw/zinc/26/37/36/344263736.db2.gz FWGLXARMXQTMOM-UHFFFAOYSA-N 0 0 140.226 2.882 10 0 AFAERN C[C@@H](O)c1c(F)ccc(Cl)c1F 165588323 344266459 /nfs/dbraw/zinc/26/64/59/344266459.db2.gz LHEVYDMVDGRZCR-SCSAIBSYSA-N 0 0 192.592 2.672 10 0 AFAERN C[C@H](O)c1c(F)ccc(Cl)c1F 165588193 344266486 /nfs/dbraw/zinc/26/64/86/344266486.db2.gz LHEVYDMVDGRZCR-BYPYZUCNSA-N 0 0 192.592 2.672 10 0 AFAERN c1ccc(Sc2ccncn2)cc1 165689731 344267493 /nfs/dbraw/zinc/26/74/93/344267493.db2.gz RZEBEXCAZIPRKR-UHFFFAOYSA-N 0 0 188.255 2.628 10 0 AFAERN Nc1cc(Cl)cc(-c2ncco2)c1 165684993 344267561 /nfs/dbraw/zinc/26/75/61/344267561.db2.gz ADZSBFFMMWMBOK-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CC(C)[C@@H](NN)c1ccc(Cl)cc1 165772710 344269263 /nfs/dbraw/zinc/26/92/63/344269263.db2.gz KQONILPYYXUVKN-SNVBAGLBSA-N 0 0 198.697 2.500 10 0 AFAERN CC(C)[C@H](NN)c1ccc(Cl)cc1 165772624 344269270 /nfs/dbraw/zinc/26/92/70/344269270.db2.gz KQONILPYYXUVKN-JTQLQIEISA-N 0 0 198.697 2.500 10 0 AFAERN C=C(C)[C@@H]1CC[C@@H](C)[C@H]1C(=O)OCC 165791528 344269609 /nfs/dbraw/zinc/26/96/09/344269609.db2.gz HSBHAINSLMPXEP-OUAUKWLOSA-N 0 0 196.290 2.788 10 0 AFAERN C1=CC2C=CC(C=C1)C1C=CC21 165800509 344270365 /nfs/dbraw/zinc/27/03/65/344270365.db2.gz OETFNLURHVHUNI-UHFFFAOYSA-N 0 0 156.228 2.717 10 0 AFAERN Cc1ccc2c(c1)NC[C@H](C)[C@H](C)N2 165831372 344270671 /nfs/dbraw/zinc/27/06/71/344270671.db2.gz GJDWYAWBBQLRGU-UWVGGRQHSA-N 0 0 190.290 2.857 10 0 AFAERN CCOc1cccc(N2CCCC2)c1 165817638 344270722 /nfs/dbraw/zinc/27/07/22/344270722.db2.gz PLROZTGQANHBSN-UHFFFAOYSA-N 0 0 191.274 2.686 10 0 AFAERN Cc1ccc2c(c1)NC[C@H](C)[C@@H](C)N2 165831594 344270746 /nfs/dbraw/zinc/27/07/46/344270746.db2.gz GJDWYAWBBQLRGU-VHSXEESVSA-N 0 0 190.290 2.857 10 0 AFAERN C[C@H]1CNc2ccc(F)cc2N[C@@H]1C 165838968 344271087 /nfs/dbraw/zinc/27/10/87/344271087.db2.gz NKWGYZPYDWVNGP-JGVFFNPUSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@H]1CNc2c(F)cccc2N[C@H]1C 165841721 344271091 /nfs/dbraw/zinc/27/10/91/344271091.db2.gz ZORPFVDHZQHTOB-YUMQZZPRSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@H]1CNc2ccc(F)cc2N[C@H]1C 165839227 344271098 /nfs/dbraw/zinc/27/10/98/344271098.db2.gz NKWGYZPYDWVNGP-YUMQZZPRSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@H]1CNc2c(F)cccc2N[C@@H]1C 165841464 344271203 /nfs/dbraw/zinc/27/12/03/344271203.db2.gz ZORPFVDHZQHTOB-JGVFFNPUSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@@H]1CNc2c(F)cccc2N[C@@H]1C 165841338 344271204 /nfs/dbraw/zinc/27/12/04/344271204.db2.gz ZORPFVDHZQHTOB-HTQZYQBOSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@@H]1Nc2ccc(F)cc2NC[C@H]1C 165837071 344271224 /nfs/dbraw/zinc/27/12/24/344271224.db2.gz SEGKZWNPZBLDRM-SFYZADRCSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@@H]1CNc2ccc(F)cc2N[C@@H]1C 165838848 344271226 /nfs/dbraw/zinc/27/12/26/344271226.db2.gz NKWGYZPYDWVNGP-HTQZYQBOSA-N 0 0 194.253 2.688 10 0 AFAERN CC(C)(C)c1ccc(C(N)=S)s1 165836836 344271248 /nfs/dbraw/zinc/27/12/48/344271248.db2.gz UJKURZKFOUOLKD-UHFFFAOYSA-N 0 0 199.344 2.680 10 0 AFAERN CC(C)C[C@@H]1NC(=O)C[C@@H]1C(C)(C)C 165850155 344271555 /nfs/dbraw/zinc/27/15/55/344271555.db2.gz QGPGTSUIJKSLIG-UWVGGRQHSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)C[C@H]1NC(=O)C[C@@H]1C(C)(C)C 165850029 344271568 /nfs/dbraw/zinc/27/15/68/344271568.db2.gz QGPGTSUIJKSLIG-VHSXEESVSA-N 0 0 197.322 2.583 10 0 AFAERN Nc1cnc2ccc(F)cc2c1Cl 165867389 344271631 /nfs/dbraw/zinc/27/16/31/344271631.db2.gz ZZAABAUFRHGMAK-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CC(C)C[C@H]1NC(=O)C[C@H]1C(C)(C)C 165849792 344271632 /nfs/dbraw/zinc/27/16/32/344271632.db2.gz QGPGTSUIJKSLIG-NXEZZACHSA-N 0 0 197.322 2.583 10 0 AFAERN Cc1ccc2ncc(N)c(Cl)c2c1 165861709 344271658 /nfs/dbraw/zinc/27/16/58/344271658.db2.gz KDCFLKPMHIXCMZ-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CC(C)C[C@@H]1NC(=O)C[C@H]1C(C)(C)C 165849908 344271674 /nfs/dbraw/zinc/27/16/74/344271674.db2.gz QGPGTSUIJKSLIG-ZJUUUORDSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H]1CCN(c2cccc(N)c2)C1 165882558 344272052 /nfs/dbraw/zinc/27/20/52/344272052.db2.gz DAGMFQXXNBUFOE-SNVBAGLBSA-N 0 0 190.290 2.505 10 0 AFAERN CC[C@H]1CCN(c2cccc(N)c2)C1 165882707 344272071 /nfs/dbraw/zinc/27/20/71/344272071.db2.gz DAGMFQXXNBUFOE-JTQLQIEISA-N 0 0 190.290 2.505 10 0 AFAERN Nc1cnc2ccsc2c1Cl 165881003 344272073 /nfs/dbraw/zinc/27/20/73/344272073.db2.gz AZIDWPGYMVYEME-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN Cc1ccc([C@@H](NN)C(C)(C)C)cc1 165961161 344272814 /nfs/dbraw/zinc/27/28/14/344272814.db2.gz PHSQYXJQASHWOD-LLVKDONJSA-N 0 0 192.306 2.546 10 0 AFAERN Cc1ccc([C@H](NN)C(C)(C)C)cc1 165961074 344272849 /nfs/dbraw/zinc/27/28/49/344272849.db2.gz PHSQYXJQASHWOD-NSHDSACASA-N 0 0 192.306 2.546 10 0 AFAERN CC(C)C[C@H](C)C(=O)OC(C)C 165992901 344273296 /nfs/dbraw/zinc/27/32/96/344273296.db2.gz MAOCAULMSPEOLC-VIFPVBQESA-N 0 0 172.268 2.620 10 0 AFAERN CC(C)C[C@@H](C)C(=O)OC(C)C 165992780 344273427 /nfs/dbraw/zinc/27/34/27/344273427.db2.gz MAOCAULMSPEOLC-SECBINFHSA-N 0 0 172.268 2.620 10 0 AFAERN COCc1cnc(Cl)cc1Cl 166009740 344273635 /nfs/dbraw/zinc/27/36/35/344273635.db2.gz ILLOTHYMBQVSCY-UHFFFAOYSA-N 0 0 192.045 2.535 10 0 AFAERN CC(C)N1CCCC[C@H]1C(F)(F)F 166031462 344273676 /nfs/dbraw/zinc/27/36/76/344273676.db2.gz FMZVBPNCYAAEDU-QMMMGPOBSA-N 0 0 195.228 2.812 10 0 AFAERN CCc1sc(NC2CC2)nc1C 166089073 344274354 /nfs/dbraw/zinc/27/43/54/344274354.db2.gz UERRYNVIPLSOII-UHFFFAOYSA-N 0 0 182.292 2.588 10 0 AFAERN C/C=C1/CCc2cc(N)ccc21 166119116 344274975 /nfs/dbraw/zinc/27/49/75/344274975.db2.gz OCKAJKPXQXUDRC-WAPJZHGLSA-N 0 0 159.232 2.618 10 0 AFAERN CC(C)C[C@@H]1OCCC(C)(C)O1 166187494 344275905 /nfs/dbraw/zinc/27/59/05/344275905.db2.gz JKEZOTPYPOUIAK-SECBINFHSA-N 0 0 172.268 2.574 10 0 AFAERN CC[C@H](C)O[P@H](=O)c1ccccc1 166206331 344276362 /nfs/dbraw/zinc/27/63/62/344276362.db2.gz NOMKACIJYQGYPI-VIFPVBQESA-N 0 0 198.202 2.602 10 0 AFAERN CC[C@@H](C)O[P@H](=O)c1ccccc1 166206235 344276437 /nfs/dbraw/zinc/27/64/37/344276437.db2.gz NOMKACIJYQGYPI-SECBINFHSA-N 0 0 198.202 2.602 10 0 AFAERN Cc1c(F)cc(C#N)cc1Cl 166383084 344280705 /nfs/dbraw/zinc/28/07/05/344280705.db2.gz CYZKLWLPVHFQDQ-UHFFFAOYSA-N 0 0 169.586 2.659 10 0 AFAERN CC[C@H](COC(C)=O)c1ccccc1 166381786 344280783 /nfs/dbraw/zinc/28/07/83/344280783.db2.gz GOGUXIJDLQQQNK-LLVKDONJSA-N 0 0 192.258 2.743 10 0 AFAERN CCCCNc1cccc2nccn12 166404677 344281216 /nfs/dbraw/zinc/28/12/16/344281216.db2.gz OEMJLQLVOQIAGS-UHFFFAOYSA-N 0 0 189.262 2.546 10 0 AFAERN CCCOc1cccc2c1ccn2C 166429729 344281482 /nfs/dbraw/zinc/28/14/82/344281482.db2.gz CCCRFHZTEJRCCT-UHFFFAOYSA-N 0 0 189.258 2.967 10 0 AFAERN CCOc1cccc2c1ccn2C 166422658 344281507 /nfs/dbraw/zinc/28/15/07/344281507.db2.gz SPUKNCAOEWUBNG-UHFFFAOYSA-N 0 0 175.231 2.577 10 0 AFAERN COc1cccc2c1ccn2CCF 166426497 344281729 /nfs/dbraw/zinc/28/17/29/344281729.db2.gz QBJWOUWCNOVJET-UHFFFAOYSA-N 0 0 193.221 2.619 10 0 AFAERN CC1(C(=O)C2CC2)CCCC1 166511887 344283317 /nfs/dbraw/zinc/28/33/17/344283317.db2.gz DOYHPSKDSNKZDW-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ccc(C(=O)C2CC2)c(F)c1 166518346 344283391 /nfs/dbraw/zinc/28/33/91/344283391.db2.gz XFNPLDGQTGORDK-UHFFFAOYSA-N 0 0 178.206 2.727 10 0 AFAERN CCc1ccsc1C(=O)C1CC1 166512061 344283597 /nfs/dbraw/zinc/28/35/97/344283597.db2.gz VIBZKHYAQVHHPF-UHFFFAOYSA-N 0 0 180.272 2.903 10 0 AFAERN Cc1oc(C)c(C(=O)C2CC2)c1C 166518960 344283657 /nfs/dbraw/zinc/28/36/57/344283657.db2.gz ZLAPINUIJSFLBN-UHFFFAOYSA-N 0 0 178.231 2.798 10 0 AFAERN Cc1cc(OCC(C)C)c(F)cc1N 166518574 344283664 /nfs/dbraw/zinc/28/36/64/344283664.db2.gz WVUIIEUODCFYSV-UHFFFAOYSA-N 0 0 197.253 2.751 10 0 AFAERN c1cc(OC2CC2)cc(OC2CC2)c1 166539425 344283993 /nfs/dbraw/zinc/28/39/93/344283993.db2.gz VSYPEHLKFBWHCM-UHFFFAOYSA-N 0 0 190.242 2.769 10 0 AFAERN O=C(c1cc2c(s1)CCC2)C1CC1 166521040 344284094 /nfs/dbraw/zinc/28/40/94/344284094.db2.gz NXQFPKCYLOGBGI-UHFFFAOYSA-N 0 0 192.283 2.830 10 0 AFAERN COc1cc(C(=O)C2CC2)ccc1C 166521399 344284245 /nfs/dbraw/zinc/28/42/45/344284245.db2.gz LTVZBNWARWSVPK-UHFFFAOYSA-N 0 0 190.242 2.596 10 0 AFAERN Cc1cc(SC2CC2)ccc1N 166577076 344284767 /nfs/dbraw/zinc/28/47/67/344284767.db2.gz CCTBZEHYPUZFEA-UHFFFAOYSA-N 0 0 179.288 2.832 10 0 AFAERN Cc1c(N)cccc1SC1CC1 166577327 344284804 /nfs/dbraw/zinc/28/48/04/344284804.db2.gz CLLXTHODYSDBHD-UHFFFAOYSA-N 0 0 179.288 2.832 10 0 AFAERN CCC(=O)[C@H]1CCc2cc(F)ccc21 166578713 344284816 /nfs/dbraw/zinc/28/48/16/344284816.db2.gz ZRDQBMKEFKDYSA-NSHDSACASA-N 0 0 192.233 2.835 10 0 AFAERN Cc1cccc(SC2CC2)c1N 166577712 344284829 /nfs/dbraw/zinc/28/48/29/344284829.db2.gz VLRPDGDDPSOCID-UHFFFAOYSA-N 0 0 179.288 2.832 10 0 AFAERN Nc1cc(F)cc(SC2CC2)c1 166574707 344284836 /nfs/dbraw/zinc/28/48/36/344284836.db2.gz HLWGXSVDEPZKFH-UHFFFAOYSA-N 0 0 183.251 2.662 10 0 AFAERN Cc1cc(N)ccc1SC1CC1 166572902 344284851 /nfs/dbraw/zinc/28/48/51/344284851.db2.gz ILZALNISJMKWMY-UHFFFAOYSA-N 0 0 179.288 2.832 10 0 AFAERN Nc1cccc(SC2CC2)c1 166576722 344284876 /nfs/dbraw/zinc/28/48/76/344284876.db2.gz JGFCHXYZSVHRJF-UHFFFAOYSA-N 0 0 165.261 2.523 10 0 AFAERN Nc1ccc(F)cc1SC1CC1 166577201 344284877 /nfs/dbraw/zinc/28/48/77/344284877.db2.gz FSPUIQLZOIPHGK-UHFFFAOYSA-N 0 0 183.251 2.662 10 0 AFAERN Nc1cc(F)ccc1SC1CC1 166573152 344284915 /nfs/dbraw/zinc/28/49/15/344284915.db2.gz RPCGFOIKYYYOIL-UHFFFAOYSA-N 0 0 183.251 2.662 10 0 AFAERN COc1cc(N)ccc1SC1CC1 166578452 344284927 /nfs/dbraw/zinc/28/49/27/344284927.db2.gz HAYVDANRUPSVLH-UHFFFAOYSA-N 0 0 195.287 2.532 10 0 AFAERN Cc1ccc(N)cc1SC1CC1 166577433 344284943 /nfs/dbraw/zinc/28/49/43/344284943.db2.gz YBEOCEAMORCGCZ-UHFFFAOYSA-N 0 0 179.288 2.832 10 0 AFAERN Cc1ccc(SC2CC2)c(N)c1 166572817 344284976 /nfs/dbraw/zinc/28/49/76/344284976.db2.gz YWEMWMANPFDZLD-UHFFFAOYSA-N 0 0 179.288 2.832 10 0 AFAERN Nc1ccc(SC2CC2)c(F)c1 166573028 344285159 /nfs/dbraw/zinc/28/51/59/344285159.db2.gz QSUCWGDODXKTFY-UHFFFAOYSA-N 0 0 183.251 2.662 10 0 AFAERN Nc1ccc(SC2CC2)cc1F 166577578 344285175 /nfs/dbraw/zinc/28/51/75/344285175.db2.gz XQTFBAZLSICKGR-UHFFFAOYSA-N 0 0 183.251 2.662 10 0 AFAERN CCC(=O)[C@@H]1CCc2cc(F)ccc21 166578580 344285179 /nfs/dbraw/zinc/28/51/79/344285179.db2.gz ZRDQBMKEFKDYSA-LLVKDONJSA-N 0 0 192.233 2.835 10 0 AFAERN Oc1ccccc1SC1CC1 166586728 344285219 /nfs/dbraw/zinc/28/52/19/344285219.db2.gz BJWBWRCSAYEDPT-UHFFFAOYSA-N 0 0 166.245 2.647 10 0 AFAERN Cc1ccc(N)c(SC2CC2)c1 166576962 344285222 /nfs/dbraw/zinc/28/52/22/344285222.db2.gz SDQNXYDXYWLJNQ-UHFFFAOYSA-N 0 0 179.288 2.832 10 0 AFAERN Nc1ccc(SC2CC2)cc1 166572163 344285224 /nfs/dbraw/zinc/28/52/24/344285224.db2.gz RROYKQPLXROWSS-UHFFFAOYSA-N 0 0 165.261 2.523 10 0 AFAERN CCc1cccc2c(Cl)n[nH]c12 166606841 344285453 /nfs/dbraw/zinc/28/54/53/344285453.db2.gz XIDPVGFJTKQFGS-UHFFFAOYSA-N 0 0 180.638 2.779 10 0 AFAERN COc1ccc(C)c2c(Cl)n[nH]c12 166607468 344285501 /nfs/dbraw/zinc/28/55/01/344285501.db2.gz OIIYJCNQRYYGLN-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN Cc1ccc(F)c2c(Cl)n[nH]c12 166605590 344285521 /nfs/dbraw/zinc/28/55/21/344285521.db2.gz KPLOYVHRBKNECO-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN CCc1ccc2[nH]nc(Cl)c2c1 166604946 344285599 /nfs/dbraw/zinc/28/55/99/344285599.db2.gz ZLUJKYKGUWQWOM-UHFFFAOYSA-N 0 0 180.638 2.779 10 0 AFAERN Cc1c(F)ccc2c(Cl)n[nH]c12 166609354 344285665 /nfs/dbraw/zinc/28/56/65/344285665.db2.gz FKPRGSNSNYSHDB-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN COc1cc(C)c2[nH]nc(Cl)c2c1 166604418 344285682 /nfs/dbraw/zinc/28/56/82/344285682.db2.gz LJYBPIZCDOJKBA-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN Clc1ccncc1NCC1CCC1 166622609 344285948 /nfs/dbraw/zinc/28/59/48/344285948.db2.gz IIZHOOWOVSLXOD-UHFFFAOYSA-N 0 0 196.681 2.947 10 0 AFAERN Cc1cccnc1NC1CC(C)C1 166645212 344286036 /nfs/dbraw/zinc/28/60/36/344286036.db2.gz IBSSCNYEEJLWIN-UHFFFAOYSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccc(NC2CC(C)C2)n1 166645570 344286072 /nfs/dbraw/zinc/28/60/72/344286072.db2.gz BKLXSBVKXPGADR-UHFFFAOYSA-N 0 0 176.263 2.600 10 0 AFAERN CC(C)Nc1cnccc1Cl 166658627 344286662 /nfs/dbraw/zinc/28/66/62/344286662.db2.gz RTBZFLPDSJZJGA-UHFFFAOYSA-N 0 0 170.643 2.555 10 0 AFAERN Cc1cc(C)n2cc(Cl)nc2c1 166701091 344286886 /nfs/dbraw/zinc/28/68/86/344286886.db2.gz NNOXLWUTJMLHOL-UHFFFAOYSA-N 0 0 180.638 2.605 10 0 AFAERN CCc1nc2n(c1C)[C@H](C)C[C@@H](C)C2 166704636 344286933 /nfs/dbraw/zinc/28/69/33/344286933.db2.gz WVVRKVCDRBDXKX-RKDXNWHRSA-N 0 0 192.306 2.897 10 0 AFAERN C[C@@H](Nc1cnccc1Cl)C1CC1 166686945 344286956 /nfs/dbraw/zinc/28/69/56/344286956.db2.gz SQOPJRQAICVZAC-SSDOTTSWSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H](Nc1cnccc1Cl)C1CC1 166686834 344286992 /nfs/dbraw/zinc/28/69/92/344286992.db2.gz SQOPJRQAICVZAC-ZETCQYMHSA-N 0 0 196.681 2.945 10 0 AFAERN CCc1nc2n(c1C)[C@@H](C)C[C@H](C)C2 166704527 344287029 /nfs/dbraw/zinc/28/70/29/344287029.db2.gz WVVRKVCDRBDXKX-IUCAKERBSA-N 0 0 192.306 2.897 10 0 AFAERN CCc1nc2n(c1C)[C@H](C)C[C@H](C)C2 166704752 344287079 /nfs/dbraw/zinc/28/70/79/344287079.db2.gz WVVRKVCDRBDXKX-DTWKUNHWSA-N 0 0 192.306 2.897 10 0 AFAERN CCc1nc2n(c1C)[C@@H](C)C[C@@H](C)C2 166704410 344287145 /nfs/dbraw/zinc/28/71/45/344287145.db2.gz WVVRKVCDRBDXKX-BDAKNGLRSA-N 0 0 192.306 2.897 10 0 AFAERN CCc1cn2c(C)cc(C)cc2n1 166700574 344287291 /nfs/dbraw/zinc/28/72/91/344287291.db2.gz RKELDQGNPSUNQF-UHFFFAOYSA-N 0 0 174.247 2.514 10 0 AFAERN Clc1ccncc1NCC1CC1 166675960 344287298 /nfs/dbraw/zinc/28/72/98/344287298.db2.gz ZCBZWIRVOUTVAK-UHFFFAOYSA-N 0 0 182.654 2.557 10 0 AFAERN Clc1ccncc1NC1CCC1 166692060 344287324 /nfs/dbraw/zinc/28/73/24/344287324.db2.gz MCASDHVKWOIOOM-UHFFFAOYSA-N 0 0 182.654 2.699 10 0 AFAERN CC[C@@H](C)Nc1cnccc1Cl 166712318 344287734 /nfs/dbraw/zinc/28/77/34/344287734.db2.gz KVPORTMPPMNZDC-SSDOTTSWSA-N 0 0 184.670 2.945 10 0 AFAERN CC[C@H](C)Nc1cnccc1Cl 166712426 344287880 /nfs/dbraw/zinc/28/78/80/344287880.db2.gz KVPORTMPPMNZDC-ZETCQYMHSA-N 0 0 184.670 2.945 10 0 AFAERN Cc1ccc(N)cc1NC[C@H]1C[C@H]1C 166761434 344288014 /nfs/dbraw/zinc/28/80/14/344288014.db2.gz ILRTZJOJMJGRSF-NXEZZACHSA-N 0 0 190.290 2.645 10 0 AFAERN CC(C)N(Cc1ccccc1)N=O 166744239 344288018 /nfs/dbraw/zinc/28/80/18/344288018.db2.gz UTQBUMUEJOUSSD-UHFFFAOYSA-N 0 0 178.235 2.578 10 0 AFAERN Cc1ccc(N)cc1NC[C@@H]1C[C@@H]1C 166761054 344288155 /nfs/dbraw/zinc/28/81/55/344288155.db2.gz ILRTZJOJMJGRSF-UWVGGRQHSA-N 0 0 190.290 2.645 10 0 AFAERN Cc1ccc(N)cc1NC[C@@H]1C[C@H]1C 166761308 344288161 /nfs/dbraw/zinc/28/81/61/344288161.db2.gz ILRTZJOJMJGRSF-ZJUUUORDSA-N 0 0 190.290 2.645 10 0 AFAERN Cc1ccc(N)cc1NC[C@H]1C[C@@H]1C 166761196 344288390 /nfs/dbraw/zinc/28/83/90/344288390.db2.gz ILRTZJOJMJGRSF-VHSXEESVSA-N 0 0 190.290 2.645 10 0 AFAERN Cc1ccsc1-c1ccncc1N 166770488 344288714 /nfs/dbraw/zinc/28/87/14/344288714.db2.gz YBABZQCVHOZJBH-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(-c2ccncc2N)cs1 166767569 344288762 /nfs/dbraw/zinc/28/87/62/344288762.db2.gz LVLHKJYYTMEJTN-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(-c2ccncc2N)s1 166768321 344288882 /nfs/dbraw/zinc/28/88/82/344288882.db2.gz ZYZHZGONWWAKBB-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C=Cc1ccc(N)cc1Cl 166821834 344289709 /nfs/dbraw/zinc/28/97/09/344289709.db2.gz JSHWVUGYYWWQCV-UHFFFAOYSA-N 0 0 153.612 2.565 10 0 AFAERN CC(C)[C@H](NN)c1ccccc1Cl 166820775 344289857 /nfs/dbraw/zinc/28/98/57/344289857.db2.gz BGTVXFSZRKTQNB-JTQLQIEISA-N 0 0 198.697 2.500 10 0 AFAERN C[C@@]1(c2cccc(F)c2)CCC(=O)C1 166842139 344290221 /nfs/dbraw/zinc/29/02/21/344290221.db2.gz PWEVVHKMURYYHP-GFCCVEGCSA-N 0 0 192.233 2.836 10 0 AFAERN C[C@@]1(c2cccs2)CCC(=O)C1 166836760 344290303 /nfs/dbraw/zinc/29/03/03/344290303.db2.gz KHSNHNZPZZOQOG-SNVBAGLBSA-N 0 0 180.272 2.759 10 0 AFAERN C[C@]1(c2cccc(F)c2)CCC(=O)C1 166842021 344290422 /nfs/dbraw/zinc/29/04/22/344290422.db2.gz PWEVVHKMURYYHP-LBPRGKRZSA-N 0 0 192.233 2.836 10 0 AFAERN C[C@]1(c2cccs2)CCC(=O)C1 166836652 344290436 /nfs/dbraw/zinc/29/04/36/344290436.db2.gz KHSNHNZPZZOQOG-JTQLQIEISA-N 0 0 180.272 2.759 10 0 AFAERN C[C@@]1(c2ccsc2)CCC(=O)C1 166846014 344290571 /nfs/dbraw/zinc/29/05/71/344290571.db2.gz FNOXRBCZFMJFNO-SNVBAGLBSA-N 0 0 180.272 2.759 10 0 AFAERN CC[C@@H](C)[C@@]1(C)CCC(=O)C1 166852703 344290558 /nfs/dbraw/zinc/29/05/58/344290558.db2.gz GOVMPHYAZZTYLL-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@]1(c2ccsc2)CCC(=O)C1 166845897 344290563 /nfs/dbraw/zinc/29/05/63/344290563.db2.gz FNOXRBCZFMJFNO-JTQLQIEISA-N 0 0 180.272 2.759 10 0 AFAERN Cc1csc(-c2nc(C)cs2)n1 166845290 344290683 /nfs/dbraw/zinc/29/06/83/344290683.db2.gz VYPDSJLDNVORTM-UHFFFAOYSA-N 0 0 196.300 2.883 10 0 AFAERN CC[C@H](C)[C@@]1(C)CCC(=O)C1 166852797 344290748 /nfs/dbraw/zinc/29/07/48/344290748.db2.gz GOVMPHYAZZTYLL-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](C)[C@]1(C)CCC(=O)C1 166852496 344290850 /nfs/dbraw/zinc/29/08/50/344290850.db2.gz GOVMPHYAZZTYLL-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@]1(CC[C@@H]2CCCO2)CCC(=O)C1 166846256 344290854 /nfs/dbraw/zinc/29/08/54/344290854.db2.gz WDXSXECUGLBIAN-RYUDHWBXSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@H](C)[C@]1(C)CCC(=O)C1 166852595 344290907 /nfs/dbraw/zinc/29/09/07/344290907.db2.gz GOVMPHYAZZTYLL-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@]1(CC[C@H]2CCCO2)CCC(=O)C1 166846367 344290941 /nfs/dbraw/zinc/29/09/41/344290941.db2.gz WDXSXECUGLBIAN-VXGBXAGGSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@]1(C2CCC2)CCC(=O)C1 166871235 344291025 /nfs/dbraw/zinc/29/10/25/344291025.db2.gz UEQSJKHTTNOVGH-JTQLQIEISA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@]1(O)CCCC12CCCC2 166866338 344291270 /nfs/dbraw/zinc/29/12/70/344291270.db2.gz GSEDXIJIJLYVNB-NSHDSACASA-N 0 0 168.280 2.872 10 0 AFAERN CC[C@@]1(O)CCCC12CCCC2 166866233 344291392 /nfs/dbraw/zinc/29/13/92/344291392.db2.gz GSEDXIJIJLYVNB-LLVKDONJSA-N 0 0 168.280 2.872 10 0 AFAERN C[C@@]1(C2CCC2)CCC(=O)C1 166871327 344291397 /nfs/dbraw/zinc/29/13/97/344291397.db2.gz UEQSJKHTTNOVGH-SNVBAGLBSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@]1(C2CCCC2)CCC(=O)C1 166885730 344291957 /nfs/dbraw/zinc/29/19/57/344291957.db2.gz PPUGCKASKYMEPN-NSHDSACASA-N 0 0 166.264 2.936 10 0 AFAERN O=C(c1cc2ccccc2[nH]1)C1CC1 166886902 344292104 /nfs/dbraw/zinc/29/21/04/344292104.db2.gz GCNYVOHMSKDZAZ-UHFFFAOYSA-N 0 0 185.226 2.761 10 0 AFAERN COc1c(C)ccc(C(C)=O)c1C 166898388 344292117 /nfs/dbraw/zinc/29/21/17/344292117.db2.gz ZXGNLGURBUKMTC-UHFFFAOYSA-N 0 0 178.231 2.515 10 0 AFAERN C[C@@]1(C2CCCC2)CCC(=O)C1 166885837 344292176 /nfs/dbraw/zinc/29/21/76/344292176.db2.gz PPUGCKASKYMEPN-LLVKDONJSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1ccc2c(O)cc(Cl)cc2n1 166886419 344292318 /nfs/dbraw/zinc/29/23/18/344292318.db2.gz KOMTXTIVANEKOH-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CCOc1cc(CC)c(C)cc1O 166899262 344292667 /nfs/dbraw/zinc/29/26/67/344292667.db2.gz ZXNBPDUQTFIBNV-UHFFFAOYSA-N 0 0 180.247 2.662 10 0 AFAERN CCOC(=O)/C(C)=C/c1cccs1 166917041 344293100 /nfs/dbraw/zinc/29/31/00/344293100.db2.gz BOFCCXHBDVXXKM-BQYQJAHWSA-N 0 0 196.271 2.715 10 0 AFAERN Cc1ccc(-c2ccncc2)cc1C=O 166939668 344293305 /nfs/dbraw/zinc/29/33/05/344293305.db2.gz OPYGAYQJCJVNEP-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CO[C@@H](C)CNc1ccc(C)cc1C 166972371 344294053 /nfs/dbraw/zinc/29/40/53/344294053.db2.gz UMVZCFUIVIPYOY-NSHDSACASA-N 0 0 193.290 2.750 10 0 AFAERN CO[C@H](C)CNc1ccc(C)cc1C 166972266 344294066 /nfs/dbraw/zinc/29/40/66/344294066.db2.gz UMVZCFUIVIPYOY-LLVKDONJSA-N 0 0 193.290 2.750 10 0 AFAERN CO[C@@H](C)CNc1ccc(Cl)cc1 166987882 344294356 /nfs/dbraw/zinc/29/43/56/344294356.db2.gz OVNJBZBUJFYYGS-QMMMGPOBSA-N 0 0 199.681 2.787 10 0 AFAERN CO[C@H](C)CNc1ccccc1Cl 166989488 344294365 /nfs/dbraw/zinc/29/43/65/344294365.db2.gz JSUBPCCDLQOKTB-MRVPVSSYSA-N 0 0 199.681 2.787 10 0 AFAERN CO[C@H](C)CNc1cc(F)ccc1C 166991454 344294371 /nfs/dbraw/zinc/29/43/71/344294371.db2.gz GLRNLHNBENECFI-SECBINFHSA-N 0 0 197.253 2.581 10 0 AFAERN CO[C@H](C)CNc1cccc(Cl)c1 166987563 344294376 /nfs/dbraw/zinc/29/43/76/344294376.db2.gz HWPGAZAGMHLHJB-MRVPVSSYSA-N 0 0 199.681 2.787 10 0 AFAERN CO[C@@H](C)CNc1cccc(Cl)c1 166987454 344294378 /nfs/dbraw/zinc/29/43/78/344294378.db2.gz HWPGAZAGMHLHJB-QMMMGPOBSA-N 0 0 199.681 2.787 10 0 AFAERN CO[C@H](C)CNc1cccc(C)c1C 166994234 344294425 /nfs/dbraw/zinc/29/44/25/344294425.db2.gz RNFWTDRRKGCRAW-SNVBAGLBSA-N 0 0 193.290 2.750 10 0 AFAERN CO[C@@H](C)CNc1cc(F)ccc1C 166991564 344294427 /nfs/dbraw/zinc/29/44/27/344294427.db2.gz GLRNLHNBENECFI-VIFPVBQESA-N 0 0 197.253 2.581 10 0 AFAERN CO[C@H](C)CNc1ccc(Cl)cc1 166987990 344294429 /nfs/dbraw/zinc/29/44/29/344294429.db2.gz OVNJBZBUJFYYGS-MRVPVSSYSA-N 0 0 199.681 2.787 10 0 AFAERN CO[C@@H](C)CNc1ccc(C)c(F)c1 166992177 344294481 /nfs/dbraw/zinc/29/44/81/344294481.db2.gz UYCQERDFABPWDX-VIFPVBQESA-N 0 0 197.253 2.581 10 0 AFAERN CO[C@@H](C)CNc1ccccc1Cl 166989378 344294488 /nfs/dbraw/zinc/29/44/88/344294488.db2.gz JSUBPCCDLQOKTB-QMMMGPOBSA-N 0 0 199.681 2.787 10 0 AFAERN CO[C@@H](C)CNc1cccc(C)c1C 166994344 344294534 /nfs/dbraw/zinc/29/45/34/344294534.db2.gz RNFWTDRRKGCRAW-JTQLQIEISA-N 0 0 193.290 2.750 10 0 AFAERN CO[C@H](C)CNc1ccc(C)c(F)c1 166992069 344294571 /nfs/dbraw/zinc/29/45/71/344294571.db2.gz UYCQERDFABPWDX-SECBINFHSA-N 0 0 197.253 2.581 10 0 AFAERN CO[C@@H](C)CNc1cc(C)ccc1F 166998092 344294968 /nfs/dbraw/zinc/29/49/68/344294968.db2.gz IELDBZASHDHDMV-VIFPVBQESA-N 0 0 197.253 2.581 10 0 AFAERN CO[C@@H](C)CNc1ccc(C)cc1F 166997408 344295004 /nfs/dbraw/zinc/29/50/04/344295004.db2.gz GQBQREZKVCOYDK-VIFPVBQESA-N 0 0 197.253 2.581 10 0 AFAERN CO[C@H](C)CNc1cc(C)ccc1F 166997965 344295008 /nfs/dbraw/zinc/29/50/08/344295008.db2.gz IELDBZASHDHDMV-SECBINFHSA-N 0 0 197.253 2.581 10 0 AFAERN CCOC(=O)N[C@@H]1CCCC(C)(C)C1 167023294 344295336 /nfs/dbraw/zinc/29/53/36/344295336.db2.gz REOYHUAQWRLWBL-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN Cc1cccc([C@@H](NN)C(C)(C)C)c1 167035564 344295822 /nfs/dbraw/zinc/29/58/22/344295822.db2.gz FBNAYOPIQZDGMP-LLVKDONJSA-N 0 0 192.306 2.546 10 0 AFAERN CO[C@H](C)CNc1cccc(F)c1C 167045222 344295871 /nfs/dbraw/zinc/29/58/71/344295871.db2.gz LKZUKWCOKARIGJ-MRVPVSSYSA-N 0 0 197.253 2.581 10 0 AFAERN CC[C@H](C)[C@@H]1CCCC[C@@H](O)C1 167045796 344296003 /nfs/dbraw/zinc/29/60/03/344296003.db2.gz YXGIYPCRXPOJIJ-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccc([C@H](NN)C(C)(C)C)c1 167035479 344296023 /nfs/dbraw/zinc/29/60/23/344296023.db2.gz FBNAYOPIQZDGMP-NSHDSACASA-N 0 0 192.306 2.546 10 0 AFAERN CC[C@H](C)[C@H]1CCCC[C@@H](O)C1 167046000 344296069 /nfs/dbraw/zinc/29/60/69/344296069.db2.gz YXGIYPCRXPOJIJ-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CO[C@@H](C)CNc1cccc(F)c1C 167045322 344296119 /nfs/dbraw/zinc/29/61/19/344296119.db2.gz LKZUKWCOKARIGJ-QMMMGPOBSA-N 0 0 197.253 2.581 10 0 AFAERN CO[C@H](C)CNc1cc(C)cc(F)c1 167108459 344297156 /nfs/dbraw/zinc/29/71/56/344297156.db2.gz ZFGHFTXUHSOEHH-SECBINFHSA-N 0 0 197.253 2.581 10 0 AFAERN C[C@@]1(O)CCCC12CCCCC2 167100148 344297157 /nfs/dbraw/zinc/29/71/57/344297157.db2.gz PJNTVWBOURUIQT-SNVBAGLBSA-N 0 0 168.280 2.872 10 0 AFAERN C[C@H]1C[C@@H]1CNc1ncccc1Cl 167113841 344297276 /nfs/dbraw/zinc/29/72/76/344297276.db2.gz MYGARTMGICPPHM-JGVFFNPUSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@H]1C[C@H]1CNc1ncccc1Cl 167114058 344297290 /nfs/dbraw/zinc/29/72/90/344297290.db2.gz MYGARTMGICPPHM-YUMQZZPRSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@@H]1C[C@H]1CNc1ncccc1Cl 167113946 344297370 /nfs/dbraw/zinc/29/73/70/344297370.db2.gz MYGARTMGICPPHM-SFYZADRCSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@]1(O)CCCC12CCCCC2 167100251 344297414 /nfs/dbraw/zinc/29/74/14/344297414.db2.gz PJNTVWBOURUIQT-JTQLQIEISA-N 0 0 168.280 2.872 10 0 AFAERN CO[C@@H](C)CNc1cc(C)cc(F)c1 167108572 344297450 /nfs/dbraw/zinc/29/74/50/344297450.db2.gz ZFGHFTXUHSOEHH-VIFPVBQESA-N 0 0 197.253 2.581 10 0 AFAERN C[C@@H]1C[C@@H]1CNc1ncccc1Cl 167113731 344297511 /nfs/dbraw/zinc/29/75/11/344297511.db2.gz MYGARTMGICPPHM-HTQZYQBOSA-N 0 0 196.681 2.803 10 0 AFAERN Cc1csc(NC[C@H]2C[C@@H]2C)n1 167130784 344297736 /nfs/dbraw/zinc/29/77/36/344297736.db2.gz CEOXTWZFROJARQ-POYBYMJQSA-N 0 0 182.292 2.519 10 0 AFAERN Cc1csc(NC[C@H]2C[C@H]2C)n1 167130955 344297751 /nfs/dbraw/zinc/29/77/51/344297751.db2.gz CEOXTWZFROJARQ-HTRCEHHLSA-N 0 0 182.292 2.519 10 0 AFAERN C[C@H]1C[C@H]1CNc1ccncc1Cl 167127970 344297787 /nfs/dbraw/zinc/29/77/87/344297787.db2.gz ZGFBJDJJDJKAPV-YUMQZZPRSA-N 0 0 196.681 2.803 10 0 AFAERN Cc1csc(NC[C@@H]2C[C@@H]2C)n1 167130704 344297793 /nfs/dbraw/zinc/29/77/93/344297793.db2.gz CEOXTWZFROJARQ-XPUUQOCRSA-N 0 0 182.292 2.519 10 0 AFAERN COc1cc(F)cc(C)c1Cl 167122719 344297865 /nfs/dbraw/zinc/29/78/65/344297865.db2.gz SGZZUAPQSYFZJU-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN Cc1csc(NC[C@@H]2C[C@H]2C)n1 167130881 344297912 /nfs/dbraw/zinc/29/79/12/344297912.db2.gz CEOXTWZFROJARQ-SVRRBLITSA-N 0 0 182.292 2.519 10 0 AFAERN C[C@@H]1C[C@H]1CNc1ccncc1Cl 167127873 344297917 /nfs/dbraw/zinc/29/79/17/344297917.db2.gz ZGFBJDJJDJKAPV-SFYZADRCSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@@H]1C[C@@H]1CNc1ccncc1Cl 167127662 344297971 /nfs/dbraw/zinc/29/79/71/344297971.db2.gz ZGFBJDJJDJKAPV-HTQZYQBOSA-N 0 0 196.681 2.803 10 0 AFAERN Cc1nc(NC[C@@H]2C[C@H]2C)sc1C 167141043 344298140 /nfs/dbraw/zinc/29/81/40/344298140.db2.gz LILIMHIVJIWMKR-MUWHJKNJSA-N 0 0 196.319 2.828 10 0 AFAERN Cc1nc(NC[C@@H]2C[C@@H]2C)sc1C 167140835 344298175 /nfs/dbraw/zinc/29/81/75/344298175.db2.gz LILIMHIVJIWMKR-RCOVLWMOSA-N 0 0 196.319 2.828 10 0 AFAERN Cc1nc(NC[C@H]2C[C@@H]2C)sc1C 167140937 344298181 /nfs/dbraw/zinc/29/81/81/344298181.db2.gz LILIMHIVJIWMKR-IMTBSYHQSA-N 0 0 196.319 2.828 10 0 AFAERN Cc1nc(NC[C@H]2C[C@H]2C)sc1C 167141155 344298219 /nfs/dbraw/zinc/29/82/19/344298219.db2.gz LILIMHIVJIWMKR-HZGVNTEJSA-N 0 0 196.319 2.828 10 0 AFAERN Cc1cc(C(F)(F)F)cc(F)c1N 167140437 344298379 /nfs/dbraw/zinc/29/83/79/344298379.db2.gz CWTPMBKNZAXEIN-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN CCOC/C=C/c1ccc(C=O)cc1 167154823 344298565 /nfs/dbraw/zinc/29/85/65/344298565.db2.gz FFDIYMLVSUVTDR-ONEGZZNKSA-N 0 0 190.242 2.549 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)C(C)(C)C 167170001 344299020 /nfs/dbraw/zinc/29/90/20/344299020.db2.gz LWOMLWOGVLUUIX-GMSGAONNSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1C[C@]1(C)C(=O)C(C)(C)C 167170238 344299085 /nfs/dbraw/zinc/29/90/85/344299085.db2.gz LWOMLWOGVLUUIX-XVKPBYJWSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)c1c(F)cc(N)cc1F 167171872 344299088 /nfs/dbraw/zinc/29/90/88/344299088.db2.gz PZMIBAJYXWTUKS-UHFFFAOYSA-N 0 0 171.190 2.670 10 0 AFAERN CC(C)CC[C@@]1(C)CC[C@@H](O)C1 167162380 344299120 /nfs/dbraw/zinc/29/91/20/344299120.db2.gz VOJHNOSIEXYZMF-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1C[C@@]1(C)C(=O)C(C)(C)C 167170069 344299164 /nfs/dbraw/zinc/29/91/64/344299164.db2.gz LWOMLWOGVLUUIX-OIBJUYFYSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)CC[C@]1(C)CC[C@H](O)C1 167162049 344299193 /nfs/dbraw/zinc/29/91/93/344299193.db2.gz VOJHNOSIEXYZMF-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)C(C)(C)C 167170142 344299330 /nfs/dbraw/zinc/29/93/30/344299330.db2.gz LWOMLWOGVLUUIX-XCBNKYQSSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)CC[C@@]1(C)CC[C@H](O)C1 167162164 344299375 /nfs/dbraw/zinc/29/93/75/344299375.db2.gz VOJHNOSIEXYZMF-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)CC[C@]1(C)CC[C@@H](O)C1 167162265 344299444 /nfs/dbraw/zinc/29/94/44/344299444.db2.gz VOJHNOSIEXYZMF-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@]1(c2cccs2)CC[C@H](O)C1 167188958 344299808 /nfs/dbraw/zinc/29/98/08/344299808.db2.gz LFGOGNWIMGRYMB-WPRPVWTQSA-N 0 0 182.288 2.551 10 0 AFAERN C[C@@]1(c2cccs2)CC[C@H](O)C1 167189059 344299909 /nfs/dbraw/zinc/29/99/09/344299909.db2.gz LFGOGNWIMGRYMB-WCBMZHEXSA-N 0 0 182.288 2.551 10 0 AFAERN C[C@@]1(c2cccs2)CC[C@@H](O)C1 167189266 344299930 /nfs/dbraw/zinc/29/99/30/344299930.db2.gz LFGOGNWIMGRYMB-PSASIEDQSA-N 0 0 182.288 2.551 10 0 AFAERN Cc1cc([C@@]2(C)CC[C@@H](O)C2)cs1 167212359 344300187 /nfs/dbraw/zinc/30/01/87/344300187.db2.gz PAKDRPFLKOESGZ-MNOVXSKESA-N 0 0 196.315 2.859 10 0 AFAERN Cc1ccccc1[C@@]1(C)CC[C@@H](O)C1 167205528 344300297 /nfs/dbraw/zinc/30/02/97/344300297.db2.gz BCJPAIHYGQPYOR-YPMHNXCESA-N 0 0 190.286 2.798 10 0 AFAERN Cc1ccccc1[C@]1(C)CC[C@@H](O)C1 167205420 344300320 /nfs/dbraw/zinc/30/03/20/344300320.db2.gz BCJPAIHYGQPYOR-DGCLKSJQSA-N 0 0 190.286 2.798 10 0 AFAERN Cc1cc([C@]2(C)CC[C@@H](O)C2)cs1 167212248 344300344 /nfs/dbraw/zinc/30/03/44/344300344.db2.gz PAKDRPFLKOESGZ-GHMZBOCLSA-N 0 0 196.315 2.859 10 0 AFAERN Cc1cc([C@]2(C)CC[C@H](O)C2)cs1 167212037 344300359 /nfs/dbraw/zinc/30/03/59/344300359.db2.gz PAKDRPFLKOESGZ-WDEREUQCSA-N 0 0 196.315 2.859 10 0 AFAERN Cc1cc([C@@]2(C)CC[C@H](O)C2)cs1 167212144 344300368 /nfs/dbraw/zinc/30/03/68/344300368.db2.gz PAKDRPFLKOESGZ-QWRGUYRKSA-N 0 0 196.315 2.859 10 0 AFAERN Cc1ccccc1[C@@]1(C)CC[C@H](O)C1 167205312 344300438 /nfs/dbraw/zinc/30/04/38/344300438.db2.gz BCJPAIHYGQPYOR-AAEUAGOBSA-N 0 0 190.286 2.798 10 0 AFAERN C[C@@]1(Cc2cccs2)CC[C@H](O)C1 167227343 344300706 /nfs/dbraw/zinc/30/07/06/344300706.db2.gz DTELJVOQHGDVMU-GXSJLCMTSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@]1(Cc2cccs2)CC[C@@H](O)C1 167227439 344300724 /nfs/dbraw/zinc/30/07/24/344300724.db2.gz DTELJVOQHGDVMU-KOLCDFICSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@@H]1C[C@H]1CNc1cccc(Cl)n1 167225375 344300748 /nfs/dbraw/zinc/30/07/48/344300748.db2.gz XGDXKLCUGPHOIG-SFYZADRCSA-N 0 0 196.681 2.803 10 0 AFAERN CC[C@H](C)C[C@@]1(C)CC[C@H](O)C1 167236712 344300806 /nfs/dbraw/zinc/30/08/06/344300806.db2.gz DTBUUAZBYBZCKG-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@@]1(C)CC[C@H](O)C1 167226480 344300808 /nfs/dbraw/zinc/30/08/08/344300808.db2.gz QQFYLZIVHRNXNM-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@H]1C[C@@H]1CNc1cccc(Cl)n1 167225175 344300818 /nfs/dbraw/zinc/30/08/18/344300818.db2.gz XGDXKLCUGPHOIG-HTQZYQBOSA-N 0 0 196.681 2.803 10 0 AFAERN CCCC[C@]1(C)CC[C@H](O)C1 167226383 344300833 /nfs/dbraw/zinc/30/08/33/344300833.db2.gz QQFYLZIVHRNXNM-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@]1(Cc2cccs2)CC[C@H](O)C1 167227254 344300861 /nfs/dbraw/zinc/30/08/61/344300861.db2.gz DTELJVOQHGDVMU-ONGXEEELSA-N 0 0 196.315 2.842 10 0 AFAERN CCCC[C@@]1(C)CC[C@@H](O)C1 167226683 344300863 /nfs/dbraw/zinc/30/08/63/344300863.db2.gz QQFYLZIVHRNXNM-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@]1(Cc2cccs2)CC[C@@H](O)C1 167227530 344300865 /nfs/dbraw/zinc/30/08/65/344300865.db2.gz DTELJVOQHGDVMU-MWLCHTKSSA-N 0 0 196.315 2.842 10 0 AFAERN CC[C@H](C)C[C@]1(C)CC[C@H](O)C1 167236503 344300899 /nfs/dbraw/zinc/30/08/99/344300899.db2.gz DTBUUAZBYBZCKG-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1C[C@H]1CNc1cccc(Cl)n1 167225485 344300918 /nfs/dbraw/zinc/30/09/18/344300918.db2.gz XGDXKLCUGPHOIG-YUMQZZPRSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@H]1OC(C)(C)c2cccc(N)c21 167230424 344300946 /nfs/dbraw/zinc/30/09/46/344300946.db2.gz KRXQEWRCMBAALH-SSDOTTSWSA-N 0 0 177.247 2.595 10 0 AFAERN CCCC[C@]1(C)CC[C@@H](O)C1 167226585 344300971 /nfs/dbraw/zinc/30/09/71/344300971.db2.gz QQFYLZIVHRNXNM-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN C/C(=C\CO)CC1CCCCC1 167258047 344301339 /nfs/dbraw/zinc/30/13/39/344301339.db2.gz MHBGYLISLFREKD-JXMROGBWSA-N 0 0 168.280 2.895 10 0 AFAERN C[C@]1(c2ccccc2F)CC[C@H](O)C1 167247357 344301383 /nfs/dbraw/zinc/30/13/83/344301383.db2.gz QNZQWEOUZVWUMS-CABZTGNLSA-N 0 0 194.249 2.628 10 0 AFAERN C[C@@]1(c2ccccc2F)CC[C@@H](O)C1 167247608 344301402 /nfs/dbraw/zinc/30/14/02/344301402.db2.gz QNZQWEOUZVWUMS-BXKDBHETSA-N 0 0 194.249 2.628 10 0 AFAERN C[C@@]1(c2ccccc2F)CC[C@H](O)C1 167247440 344301530 /nfs/dbraw/zinc/30/15/30/344301530.db2.gz QNZQWEOUZVWUMS-JOYOIKCWSA-N 0 0 194.249 2.628 10 0 AFAERN C[C@]1(c2ccccc2F)CC[C@@H](O)C1 167247507 344301567 /nfs/dbraw/zinc/30/15/67/344301567.db2.gz QNZQWEOUZVWUMS-SKDRFNHKSA-N 0 0 194.249 2.628 10 0 AFAERN CCCCc1ccc(C)cc1N 167403620 344304233 /nfs/dbraw/zinc/30/42/33/344304233.db2.gz XACOVGHZXMIWPO-UHFFFAOYSA-N 0 0 163.264 2.920 10 0 AFAERN CC(C)OC(=O)C[C@H](C)C(F)(F)F 167432319 344304745 /nfs/dbraw/zinc/30/47/45/344304745.db2.gz VWHYWMRJXAZUDS-LURJTMIESA-N 0 0 198.184 2.527 10 0 AFAERN CC(C)OC(=O)C[C@@H](C)C(F)(F)F 167432213 344304971 /nfs/dbraw/zinc/30/49/71/344304971.db2.gz VWHYWMRJXAZUDS-ZCFIWIBFSA-N 0 0 198.184 2.527 10 0 AFAERN CC(C)(C)[C@H](NN)C1CCCCCC1 167470810 344305737 /nfs/dbraw/zinc/30/57/37/344305737.db2.gz OLUUTEIMTNLIEQ-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN CC[C@@H]1CC[C@](O)(C2=CCCCO2)C1 167459714 344305748 /nfs/dbraw/zinc/30/57/48/344305748.db2.gz AYNFQGAABCKWRT-ZYHUDNBSSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@H]1CC[C@@](O)(C2=CCCCO2)C1 167460065 344305752 /nfs/dbraw/zinc/30/57/52/344305752.db2.gz AYNFQGAABCKWRT-JQWIXIFHSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@H](NN)C(C)(C)C)C1 167459379 344305795 /nfs/dbraw/zinc/30/57/95/344305795.db2.gz GQEVWLVSJDOESD-MXWKQRLJSA-N 0 0 198.354 2.691 10 0 AFAERN C[C@@H]1CCC[C@H]([C@H](NN)C(C)(C)C)C1 167459166 344305898 /nfs/dbraw/zinc/30/58/98/344305898.db2.gz GQEVWLVSJDOESD-VWYCJHECSA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@H]1CC[C@](O)(C2=CCCCO2)C1 167459823 344305933 /nfs/dbraw/zinc/30/59/33/344305933.db2.gz AYNFQGAABCKWRT-CMPLNLGQSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@@H]1CC[C@@](O)(C2=CCCCO2)C1 167459938 344306007 /nfs/dbraw/zinc/30/60/07/344306007.db2.gz AYNFQGAABCKWRT-PWSUYJOCSA-N 0 0 196.290 2.622 10 0 AFAERN Cc1ccc([C@H](NN)C(C)(C)C)s1 167465015 344306009 /nfs/dbraw/zinc/30/60/09/344306009.db2.gz IYJHEIUYWRFBGR-VIFPVBQESA-N 0 0 198.335 2.607 10 0 AFAERN CC1(C)CC[C@](O)(C2=CCCCO2)C1 167476432 344306490 /nfs/dbraw/zinc/30/64/90/344306490.db2.gz VYWZWTKXIOZLAR-GFCCVEGCSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@](O)(CC1CCC1)C1=CCCCO1 167493298 344306770 /nfs/dbraw/zinc/30/67/70/344306770.db2.gz DGKNYXWLZVPEEE-GFCCVEGCSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@](O)(CC1CCC1)C1=CCCCO1 167493419 344306973 /nfs/dbraw/zinc/30/69/73/344306973.db2.gz DGKNYXWLZVPEEE-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN Cc1ccnc(-n2cc(C)cc2C)c1 167563414 344308355 /nfs/dbraw/zinc/30/83/55/344308355.db2.gz BRIVNGLZYHHYAR-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN CO[C@@H](C)Cn1ccc2ccccc21 167587168 344308662 /nfs/dbraw/zinc/30/86/62/344308662.db2.gz IREMUWLSKRTILC-JTQLQIEISA-N 0 0 189.258 2.676 10 0 AFAERN Cc1ccc(NC(C)(C)C)nc1 167577696 344308752 /nfs/dbraw/zinc/30/87/52/344308752.db2.gz AQDVOLRNIAQNTC-UHFFFAOYSA-N 0 0 164.252 2.600 10 0 AFAERN CO[C@H](C)Cn1ccc2ccccc21 167587277 344308878 /nfs/dbraw/zinc/30/88/78/344308878.db2.gz IREMUWLSKRTILC-SNVBAGLBSA-N 0 0 189.258 2.676 10 0 AFAERN C[C@@H]1C[C@@H]2[C@@H](O)C[C@H]2c2ccccc21 167600712 344309289 /nfs/dbraw/zinc/30/92/89/344309289.db2.gz ROZGLRYOEOFMRL-YJRXYDGGSA-N 0 0 188.270 2.658 10 0 AFAERN CCCC(=O)[C@@H]1CCC[C@@H]1C 167654612 344310506 /nfs/dbraw/zinc/31/05/06/344310506.db2.gz ZPYHWFOFQTXTOL-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](C)CC2=O 167656239 344310513 /nfs/dbraw/zinc/31/05/13/344310513.db2.gz ZYEQMSHBTSLRGB-MRVPVSSYSA-N 0 0 174.243 2.993 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](C)CC2=O 167656338 344310550 /nfs/dbraw/zinc/31/05/50/344310550.db2.gz ZYEQMSHBTSLRGB-QMMMGPOBSA-N 0 0 174.243 2.993 10 0 AFAERN CCCC(=O)[C@H]1CCC[C@@H]1C 167654724 344310589 /nfs/dbraw/zinc/31/05/89/344310589.db2.gz ZPYHWFOFQTXTOL-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1SCC(=O)c2ccccc21 167657262 344310622 /nfs/dbraw/zinc/31/06/22/344310622.db2.gz GPQHOEJRZCUFCZ-ZETCQYMHSA-N 0 0 178.256 2.677 10 0 AFAERN CCCC(=O)[C@H]1CCC[C@H]1C 167654940 344310647 /nfs/dbraw/zinc/31/06/47/344310647.db2.gz ZPYHWFOFQTXTOL-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC(=O)[C@@H]1CCC[C@H]1C 167654830 344310659 /nfs/dbraw/zinc/31/06/59/344310659.db2.gz ZPYHWFOFQTXTOL-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1ccc(C(=O)C(C)C)c(F)c1 167723253 344312853 /nfs/dbraw/zinc/31/28/53/344312853.db2.gz RXLAJAYDYVAPHP-UHFFFAOYSA-N 0 0 180.222 2.973 10 0 AFAERN C[C@H]1OCC[C@H]1C(=O)C1CCCCC1 167737827 344312859 /nfs/dbraw/zinc/31/28/59/344312859.db2.gz SWGOHGYAIVJIEO-MWLCHTKSSA-N 0 0 196.290 2.561 10 0 AFAERN CCC(=O)C1C(C)(C)C1(C)C 167728516 344312874 /nfs/dbraw/zinc/31/28/74/344312874.db2.gz NRBVMIJJCIDETN-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)c1cc(C)c(C)s1 167729690 344312965 /nfs/dbraw/zinc/31/29/65/344312965.db2.gz FMGPRYBNJCBCGZ-UHFFFAOYSA-N 0 0 168.261 2.958 10 0 AFAERN COc1cc(C(=O)C(C)C)ccc1F 167726136 344312971 /nfs/dbraw/zinc/31/29/71/344312971.db2.gz MZHABNLISKSKEO-UHFFFAOYSA-N 0 0 196.221 2.673 10 0 AFAERN CCC(=O)c1cc2c(s1)CCC2 167730001 344313017 /nfs/dbraw/zinc/31/30/17/344313017.db2.gz GZMDIKWARHCUIQ-UHFFFAOYSA-N 0 0 180.272 2.830 10 0 AFAERN O=C1CCC(O[C@H]2C=CCCC2)CC1 167744756 344313293 /nfs/dbraw/zinc/31/32/93/344313293.db2.gz MOJQTRAEEZOYNN-NSHDSACASA-N 0 0 194.274 2.623 10 0 AFAERN Cc1cc(C(=O)C2CCCC2)co1 167750765 344313379 /nfs/dbraw/zinc/31/33/79/344313379.db2.gz FTDRVBOCJPGNEX-UHFFFAOYSA-N 0 0 178.231 2.961 10 0 AFAERN C[C@@H]1OCC[C@H]1C(=O)C1CCCCC1 167737946 344313441 /nfs/dbraw/zinc/31/34/41/344313441.db2.gz SWGOHGYAIVJIEO-GXSJLCMTSA-N 0 0 196.290 2.561 10 0 AFAERN CCCC(=O)C1(C)CCCC1 167741366 344313454 /nfs/dbraw/zinc/31/34/54/344313454.db2.gz PGKKDYRKWXJZTK-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CCOc1ccc(CC)c(F)c1F 167753301 344313558 /nfs/dbraw/zinc/31/35/58/344313558.db2.gz HGWWJRTXJISKCP-UHFFFAOYSA-N 0 0 186.201 2.926 10 0 AFAERN C[C@H]1OCC[C@@H]1C(=O)C1CCCCC1 167738053 344313595 /nfs/dbraw/zinc/31/35/95/344313595.db2.gz SWGOHGYAIVJIEO-KOLCDFICSA-N 0 0 196.290 2.561 10 0 AFAERN O=C1CCC(O[C@@H]2C=CCCC2)CC1 167744836 344313628 /nfs/dbraw/zinc/31/36/28/344313628.db2.gz MOJQTRAEEZOYNN-LLVKDONJSA-N 0 0 194.274 2.623 10 0 AFAERN CCCC(=O)c1coc(C)c1 167743059 344313682 /nfs/dbraw/zinc/31/36/82/344313682.db2.gz JMZRSZZCQVWXOH-UHFFFAOYSA-N 0 0 152.193 2.571 10 0 AFAERN C[C@@H]1OCC[C@@H]1C(=O)C1CCCCC1 167738160 344313692 /nfs/dbraw/zinc/31/36/92/344313692.db2.gz SWGOHGYAIVJIEO-ONGXEEELSA-N 0 0 196.290 2.561 10 0 AFAERN C/C=C/C(=O)O[C@H](C)C(C)(C)C 167764312 344313885 /nfs/dbraw/zinc/31/38/85/344313885.db2.gz MLHCJFRDSBFWFI-HYDMIIDASA-N 0 0 170.252 2.540 10 0 AFAERN Oc1cccc(O[C@H]2C=CCCC2)c1 167770443 344313906 /nfs/dbraw/zinc/31/39/06/344313906.db2.gz ZGUZKCSTNSVGSX-NSHDSACASA-N 0 0 190.242 2.880 10 0 AFAERN Oc1cccc(O[C@@H]2C=CCCC2)c1 167770548 344313959 /nfs/dbraw/zinc/31/39/59/344313959.db2.gz ZGUZKCSTNSVGSX-LLVKDONJSA-N 0 0 190.242 2.880 10 0 AFAERN C/C=C/C(=O)O[C@@H](C)C(C)(C)C 167764206 344314012 /nfs/dbraw/zinc/31/40/12/344314012.db2.gz MLHCJFRDSBFWFI-CZEYKFRCSA-N 0 0 170.252 2.540 10 0 AFAERN CC[C@H](C)Nc1ccc(C)c(O)c1 167798225 344314593 /nfs/dbraw/zinc/31/45/93/344314593.db2.gz FDBGVQVKXBDWQX-VIFPVBQESA-N 0 0 179.263 2.911 10 0 AFAERN CC[C@@H](C)Nc1ccc(C)c(O)c1 167798126 344314601 /nfs/dbraw/zinc/31/46/01/344314601.db2.gz FDBGVQVKXBDWQX-SECBINFHSA-N 0 0 179.263 2.911 10 0 AFAERN CCC[C@H](O)C1(C)CCCC1 167834659 344315255 /nfs/dbraw/zinc/31/52/55/344315255.db2.gz VSKSMBVCUXPPKC-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@H](O)C1(C)CCCC1 167834767 344315343 /nfs/dbraw/zinc/31/53/43/344315343.db2.gz VSKSMBVCUXPPKC-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN F[C@H]1CCCCN1Cc1ccccc1 167889954 344316195 /nfs/dbraw/zinc/31/61/95/344316195.db2.gz WIALRKABCWLROE-GFCCVEGCSA-N 0 0 193.265 2.968 10 0 AFAERN F[C@@H]1CCCCN1Cc1ccccc1 167889855 344316279 /nfs/dbraw/zinc/31/62/79/344316279.db2.gz WIALRKABCWLROE-LBPRGKRZSA-N 0 0 193.265 2.968 10 0 AFAERN CC[C@@](C)(O)C[C@H]1CCCCCC1=O 167941238 344317286 /nfs/dbraw/zinc/31/72/86/344317286.db2.gz AUMUEZWHHYMVDK-ZYHUDNBSSA-N 0 0 198.306 2.687 10 0 AFAERN CCc1cccc([C@@H](O)C2CC2)c1 167926817 344317036 /nfs/dbraw/zinc/31/70/36/344317036.db2.gz XJOBEIQXDWJNFN-LBPRGKRZSA-N 0 0 176.259 2.692 10 0 AFAERN CC(=O)O/C=C/c1cccc(Cl)c1 167919949 344317058 /nfs/dbraw/zinc/31/70/58/344317058.db2.gz LFPCQZFWNHYVTL-AATRIKPKSA-N 0 0 196.633 2.874 10 0 AFAERN CC[C@](C)(O)C[C@@H]1CCCCCC1=O 167940909 344317525 /nfs/dbraw/zinc/31/75/25/344317525.db2.gz AUMUEZWHHYMVDK-JQWIXIFHSA-N 0 0 198.306 2.687 10 0 AFAERN CCc1cccc(C2(O)CCC2)c1 167953858 344317536 /nfs/dbraw/zinc/31/75/36/344317536.db2.gz JFNWRRJJJLTRDD-UHFFFAOYSA-N 0 0 176.259 2.621 10 0 AFAERN CC[C@@](C)(O)C[C@@H]1CCCCCC1=O 167941027 344317633 /nfs/dbraw/zinc/31/76/33/344317633.db2.gz AUMUEZWHHYMVDK-CMPLNLGQSA-N 0 0 198.306 2.687 10 0 AFAERN CC[C@](C)(O)C[C@H]1CCCCCC1=O 167941139 344317733 /nfs/dbraw/zinc/31/77/33/344317733.db2.gz AUMUEZWHHYMVDK-PWSUYJOCSA-N 0 0 198.306 2.687 10 0 AFAERN CC1(C)CNc2ccc(F)cc2NC1 167988940 344318188 /nfs/dbraw/zinc/31/81/88/344318188.db2.gz LFXHBESUXIIGLJ-UHFFFAOYSA-N 0 0 194.253 2.689 10 0 AFAERN C[C@@H]1CCC[C@@](O)(C2=CCCO2)CC1 168037747 344319449 /nfs/dbraw/zinc/31/94/49/344319449.db2.gz HLBGRRYDOVVARM-PWSUYJOCSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@H]1CCC[C@](O)(C2=CCCO2)C1 168030432 344319454 /nfs/dbraw/zinc/31/94/54/344319454.db2.gz ONHFDGTWZPNUJH-CMPLNLGQSA-N 0 0 196.290 2.622 10 0 AFAERN COc1ccc(C)c(C)c1Cl 168028674 344319481 /nfs/dbraw/zinc/31/94/81/344319481.db2.gz ARODIRJUQHEFRQ-UHFFFAOYSA-N 0 0 170.639 2.965 10 0 AFAERN CC[C@H]1CCC[C@@](O)(C2=CCCO2)C1 168030630 344319566 /nfs/dbraw/zinc/31/95/66/344319566.db2.gz ONHFDGTWZPNUJH-JQWIXIFHSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H]1CCC[C@@](O)(C2=CCCO2)CC1 168037849 344319608 /nfs/dbraw/zinc/31/96/08/344319608.db2.gz HLBGRRYDOVVARM-JQWIXIFHSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@@H]1CCC[C@@](O)(C2=CCCO2)C1 168030521 344319628 /nfs/dbraw/zinc/31/96/28/344319628.db2.gz ONHFDGTWZPNUJH-PWSUYJOCSA-N 0 0 196.290 2.622 10 0 AFAERN COc1cc(C)c(C)c(Cl)c1 168030747 344319638 /nfs/dbraw/zinc/31/96/38/344319638.db2.gz FKKPYCAOYZMVGP-UHFFFAOYSA-N 0 0 170.639 2.965 10 0 AFAERN CC[C@@H]1CCC[C@](O)(C2=CCCO2)C1 168030329 344319661 /nfs/dbraw/zinc/31/96/61/344319661.db2.gz ONHFDGTWZPNUJH-ZYHUDNBSSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H]1C[C@@H](C(=O)CC2CCCC2)CO1 168077710 344320181 /nfs/dbraw/zinc/32/01/81/344320181.db2.gz QGOKNLJQIRFTOO-GXSJLCMTSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1CCO[C@@H]1C(=O)CC1CCCC1 168076981 344320232 /nfs/dbraw/zinc/32/02/32/344320232.db2.gz LJLWIEMSGGQDDI-SKDRFNHKSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1C[C@@H](C(=O)CC2CCCC2)CO1 168077612 344320191 /nfs/dbraw/zinc/32/01/91/344320191.db2.gz QGOKNLJQIRFTOO-MWLCHTKSSA-N 0 0 196.290 2.561 10 0 AFAERN CC1(C)CCNc2cc(F)ccc2O1 168084698 344320205 /nfs/dbraw/zinc/32/02/05/344320205.db2.gz QEDBCAZNUHAQHE-UHFFFAOYSA-N 0 0 195.237 2.799 10 0 AFAERN CC1(C)CCNc2cccc(F)c2O1 168083991 344320213 /nfs/dbraw/zinc/32/02/13/344320213.db2.gz KOUXRPWEPJYAGE-UHFFFAOYSA-N 0 0 195.237 2.799 10 0 AFAERN Cc1ccc2c(c1)OC(C)(C)CCN2 168090314 344320322 /nfs/dbraw/zinc/32/03/22/344320322.db2.gz OBKPOFPDQYWQPR-UHFFFAOYSA-N 0 0 191.274 2.968 10 0 AFAERN C[C@@](O)(C1=CCCO1)C1CCCCC1 168077454 344320352 /nfs/dbraw/zinc/32/03/52/344320352.db2.gz WJVYSPRTGUSQHR-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1C[C@H](C(=O)CC2CCCC2)CO1 168077426 344320378 /nfs/dbraw/zinc/32/03/78/344320378.db2.gz QGOKNLJQIRFTOO-KOLCDFICSA-N 0 0 196.290 2.561 10 0 AFAERN CC1(C)CCNc2ccc(F)cc2O1 168089984 344320389 /nfs/dbraw/zinc/32/03/89/344320389.db2.gz CVYMUODJJDKVBT-UHFFFAOYSA-N 0 0 195.237 2.799 10 0 AFAERN C[C@](O)(C1=CCCO1)C1CCCCC1 168077361 344320395 /nfs/dbraw/zinc/32/03/95/344320395.db2.gz WJVYSPRTGUSQHR-GFCCVEGCSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H]1CCO[C@H]1C(=O)CC1CCCC1 168077292 344320404 /nfs/dbraw/zinc/32/04/04/344320404.db2.gz LJLWIEMSGGQDDI-JOYOIKCWSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1CCO[C@H]1C(=O)CC1CCCC1 168077193 344320467 /nfs/dbraw/zinc/32/04/67/344320467.db2.gz LJLWIEMSGGQDDI-BXKDBHETSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1CCO[C@@H]1C(=O)CC1CCCC1 168077097 344320471 /nfs/dbraw/zinc/32/04/71/344320471.db2.gz LJLWIEMSGGQDDI-CABZTGNLSA-N 0 0 196.290 2.561 10 0 AFAERN Cc1ccc2c(c1)NCCC(C)(C)O2 168084240 344320491 /nfs/dbraw/zinc/32/04/91/344320491.db2.gz JSNNLRHBDLOKJY-UHFFFAOYSA-N 0 0 191.274 2.968 10 0 AFAERN C[C@H]1C[C@H](C(=O)CC2CCCC2)CO1 168077520 344320505 /nfs/dbraw/zinc/32/05/05/344320505.db2.gz QGOKNLJQIRFTOO-ONGXEEELSA-N 0 0 196.290 2.561 10 0 AFAERN Cc1cc(C(=O)C(C)(C)C)co1 168163115 344322776 /nfs/dbraw/zinc/32/27/76/344322776.db2.gz IUWVZLIHZMEVJW-UHFFFAOYSA-N 0 0 166.220 2.817 10 0 AFAERN CC1(C(=O)C2CCOCC2)CCCC1 168191624 344324054 /nfs/dbraw/zinc/32/40/54/344324054.db2.gz ZQCRSQRFPHBZRD-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN C[C@H](c1ccc(Cl)cc1)N(C)C#N 168200214 344324378 /nfs/dbraw/zinc/32/43/78/344324378.db2.gz NAQTWKFVSRZJDR-MRVPVSSYSA-N 0 0 194.665 2.814 10 0 AFAERN C[C@H](c1cccc(Cl)c1)N(C)C#N 168200655 344324463 /nfs/dbraw/zinc/32/44/63/344324463.db2.gz VXLPOSCZIYMGOM-MRVPVSSYSA-N 0 0 194.665 2.814 10 0 AFAERN N#CN1CCC2(CCCCC2)CC1 168198987 344324477 /nfs/dbraw/zinc/32/44/77/344324477.db2.gz VBEVDLHRJBGLIF-UHFFFAOYSA-N 0 0 178.279 2.514 10 0 AFAERN C[C@@H](c1cccc(Cl)c1)N(C)C#N 168200549 344324500 /nfs/dbraw/zinc/32/45/00/344324500.db2.gz VXLPOSCZIYMGOM-QMMMGPOBSA-N 0 0 194.665 2.814 10 0 AFAERN C[C@H](c1ccccc1Cl)N(C)C#N 168200439 344324523 /nfs/dbraw/zinc/32/45/23/344324523.db2.gz QCCOVJRKBOPWAO-MRVPVSSYSA-N 0 0 194.665 2.814 10 0 AFAERN CC[C@@](C)(O)c1cccc2[nH]ccc12 168201181 344324568 /nfs/dbraw/zinc/32/45/68/344324568.db2.gz VMDUOEDROSYSRS-GFCCVEGCSA-N 0 0 189.258 2.785 10 0 AFAERN C[C@@H](c1ccc(Cl)cc1)N(C)C#N 168200155 344324623 /nfs/dbraw/zinc/32/46/23/344324623.db2.gz NAQTWKFVSRZJDR-QMMMGPOBSA-N 0 0 194.665 2.814 10 0 AFAERN C[C@@H](c1ccccc1Cl)N(C)C#N 168200340 344324644 /nfs/dbraw/zinc/32/46/44/344324644.db2.gz QCCOVJRKBOPWAO-QMMMGPOBSA-N 0 0 194.665 2.814 10 0 AFAERN CC[C@](C)(O)c1cccc2[nH]ccc12 168201067 344324646 /nfs/dbraw/zinc/32/46/46/344324646.db2.gz VMDUOEDROSYSRS-LBPRGKRZSA-N 0 0 189.258 2.785 10 0 AFAERN CC(C)[C@H](O)c1cccc2[nH]ccc12 168205665 344324660 /nfs/dbraw/zinc/32/46/60/344324660.db2.gz HMFHYSBQUAZWNQ-LBPRGKRZSA-N 0 0 189.258 2.857 10 0 AFAERN O[C@H](c1cccc2[nH]ccc12)C1CC1 168207699 344325040 /nfs/dbraw/zinc/32/50/40/344325040.db2.gz GLPDVUISBMWAGW-LBPRGKRZSA-N 0 0 187.242 2.611 10 0 AFAERN O[C@@H](c1cccc2[nH]ccc12)C1CC1 168207602 344325059 /nfs/dbraw/zinc/32/50/59/344325059.db2.gz GLPDVUISBMWAGW-GFCCVEGCSA-N 0 0 187.242 2.611 10 0 AFAERN CC(C)[C@@H](O)c1cccc2[nH]ccc12 168205766 344325083 /nfs/dbraw/zinc/32/50/83/344325083.db2.gz HMFHYSBQUAZWNQ-GFCCVEGCSA-N 0 0 189.258 2.857 10 0 AFAERN OC1(c2cccc3[nH]ccc23)CCC1 168215438 344325508 /nfs/dbraw/zinc/32/55/08/344325508.db2.gz BGZQEHNMFDKLOK-UHFFFAOYSA-N 0 0 187.242 2.539 10 0 AFAERN CC(C)c1cncnc1C(C)C 168260497 344327161 /nfs/dbraw/zinc/32/71/61/344327161.db2.gz HXEQLILAFDAOEX-UHFFFAOYSA-N 0 0 164.252 2.723 10 0 AFAERN CC(C)(C)[NH2+]Cc1ccc([S-])cc1 168297170 344327505 /nfs/dbraw/zinc/32/75/05/344327505.db2.gz ZKBRMISEHWVDOF-UHFFFAOYSA-N 0 0 195.331 2.863 10 0 AFAERN CCc1cccc([C@H]2CC[C@@H](O)C2)c1 168310736 344327807 /nfs/dbraw/zinc/32/78/07/344327807.db2.gz TWBQKOWJZBLYLQ-QWHCGFSZSA-N 0 0 190.286 2.877 10 0 AFAERN CCc1cccc([C@H]2CC[C@H](O)C2)c1 168310543 344327843 /nfs/dbraw/zinc/32/78/43/344327843.db2.gz TWBQKOWJZBLYLQ-STQMWFEESA-N 0 0 190.286 2.877 10 0 AFAERN CCc1cccc(C2=C[C@H](O)CC2)c1 168314788 344327896 /nfs/dbraw/zinc/32/78/96/344327896.db2.gz GHZVMWYTOBKCCH-CYBMUJFWSA-N 0 0 188.270 2.787 10 0 AFAERN COCC(C)(C)c1ccc(F)cc1 168315869 344327940 /nfs/dbraw/zinc/32/79/40/344327940.db2.gz OYOWPZPZWHPWKX-UHFFFAOYSA-N 0 0 182.238 2.750 10 0 AFAERN CCc1cccc([C@@H]2CC[C@@H](O)C2)c1 168310638 344327959 /nfs/dbraw/zinc/32/79/59/344327959.db2.gz TWBQKOWJZBLYLQ-CHWSQXEVSA-N 0 0 190.286 2.877 10 0 AFAERN CCc1cccc([C@@H]2CC[C@H](O)C2)c1 168310439 344328108 /nfs/dbraw/zinc/32/81/08/344328108.db2.gz TWBQKOWJZBLYLQ-OLZOCXBDSA-N 0 0 190.286 2.877 10 0 AFAERN CCc1cc(F)c(OC)c(F)c1 168357912 344328840 /nfs/dbraw/zinc/32/88/40/344328840.db2.gz OZDBQVXEBLYFLC-UHFFFAOYSA-N 0 0 172.174 2.536 10 0 AFAERN Fc1cc2c(cc1Cl)CCCN2 168409193 344330400 /nfs/dbraw/zinc/33/04/00/344330400.db2.gz VMFRUJLDEKMONW-UHFFFAOYSA-N 0 0 185.629 2.837 10 0 AFAERN C/C=C/CCNc1cc(C)cc(N)c1 168436377 344330776 /nfs/dbraw/zinc/33/07/76/344330776.db2.gz BPGZHTQRYXFEEF-ONEGZZNKSA-N 0 0 190.290 2.955 10 0 AFAERN Cc1nc(CC2CCCCCC2)n[nH]1 168424869 344330804 /nfs/dbraw/zinc/33/08/04/344330804.db2.gz VWDZLAZUEFRBKK-UHFFFAOYSA-N 0 0 193.294 2.626 10 0 AFAERN Cc1cc(C(=O)c2ccsc2)co1 168430754 344330807 /nfs/dbraw/zinc/33/08/07/344330807.db2.gz MZEJENHNLTXUSH-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN OC1(CC2CCCCCC2)CC1 168435751 344330898 /nfs/dbraw/zinc/33/08/98/344330898.db2.gz MMEKDLCGPBGRQZ-UHFFFAOYSA-N 0 0 168.280 2.872 10 0 AFAERN OC1([C@H]2CCCc3sccc32)CC1 168477779 344331799 /nfs/dbraw/zinc/33/17/99/344331799.db2.gz WCEUHKKMMQDMKD-VIFPVBQESA-N 0 0 194.299 2.693 10 0 AFAERN OC1([C@@H]2CCCc3sccc32)CC1 168477673 344331914 /nfs/dbraw/zinc/33/19/14/344331914.db2.gz WCEUHKKMMQDMKD-SECBINFHSA-N 0 0 194.299 2.693 10 0 AFAERN O=CCCC(=O)c1ccc(Cl)cc1 168543186 344332317 /nfs/dbraw/zinc/33/23/17/344332317.db2.gz UENGWKOJSZDKPL-UHFFFAOYSA-N 0 0 196.633 2.502 10 0 AFAERN O=C1CC[C@@H](c2ccccc2Cl)O1 168604294 344333630 /nfs/dbraw/zinc/33/36/30/344333630.db2.gz RDPRRZXCTPFGJL-VIFPVBQESA-N 0 0 196.633 2.718 10 0 AFAERN O=C1CC[C@H](c2ccccc2Cl)O1 168604391 344333641 /nfs/dbraw/zinc/33/36/41/344333641.db2.gz RDPRRZXCTPFGJL-SECBINFHSA-N 0 0 196.633 2.718 10 0 AFAERN Cc1cc(C(=O)C2CC2)sc1C 168628873 344333865 /nfs/dbraw/zinc/33/38/65/344333865.db2.gz MRKZMOKKGFEYIM-UHFFFAOYSA-N 0 0 180.272 2.958 10 0 AFAERN Cc1ccc(-c2cccc(O)c2)o1 168622963 344334012 /nfs/dbraw/zinc/33/40/12/344334012.db2.gz KTEHMYXXMBLFFB-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN CC1(C)C(C(=O)C2CC2)C1(C)C 168621718 344334096 /nfs/dbraw/zinc/33/40/96/344334096.db2.gz WDSMJSNHYBRACJ-UHFFFAOYSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cncc(C2CCC(=O)CC2)c1 168733595 344335581 /nfs/dbraw/zinc/33/55/81/344335581.db2.gz YDVVMSQBBWUHOK-UHFFFAOYSA-N 0 0 189.258 2.617 10 0 AFAERN CNc1ccc(C(F)(F)F)cc1F 168716683 344335623 /nfs/dbraw/zinc/33/56/23/344335623.db2.gz GYRRHDWHIKHCBQ-UHFFFAOYSA-N 0 0 193.143 2.886 10 0 AFAERN Cc1ccncc1C1CCC(=O)CC1 168739084 344335685 /nfs/dbraw/zinc/33/56/85/344335685.db2.gz OSOJDNDYPVURIP-UHFFFAOYSA-N 0 0 189.258 2.617 10 0 AFAERN O=C1CCC(c2ccoc2)CC1 168726109 344335693 /nfs/dbraw/zinc/33/56/93/344335693.db2.gz UDEOPCYNESCNME-UHFFFAOYSA-N 0 0 164.204 2.506 10 0 AFAERN CC(=O)c1ccc(N[C@@H]2C[C@@H]2C)cc1 168743283 344335912 /nfs/dbraw/zinc/33/59/12/344335912.db2.gz AJVIBDUIFAEVAF-QPUJVOFHSA-N 0 0 189.258 2.710 10 0 AFAERN CC(=O)c1ccc(N[C@@H]2C[C@H]2C)cc1 168743189 344336038 /nfs/dbraw/zinc/33/60/38/344336038.db2.gz AJVIBDUIFAEVAF-PRHODGIISA-N 0 0 189.258 2.710 10 0 AFAERN CC(=O)c1ccc(NC2CCC2)cc1 168742942 344336141 /nfs/dbraw/zinc/33/61/41/344336141.db2.gz PMMJVIHMIZPILC-UHFFFAOYSA-N 0 0 189.258 2.854 10 0 AFAERN CC(=O)c1ccc(N[C@H]2C[C@H]2C)cc1 168743041 344336223 /nfs/dbraw/zinc/33/62/23/344336223.db2.gz AJVIBDUIFAEVAF-PELKAZGASA-N 0 0 189.258 2.710 10 0 AFAERN CC(=O)c1ccc(N[C@H]2C[C@@H]2C)cc1 168743117 344336280 /nfs/dbraw/zinc/33/62/80/344336280.db2.gz AJVIBDUIFAEVAF-UFBFGSQYSA-N 0 0 189.258 2.710 10 0 AFAERN CC(=O)c1ccc(NC2(C)CC2)cc1 168766229 344336809 /nfs/dbraw/zinc/33/68/09/344336809.db2.gz ARSYTVHMDWBXIQ-UHFFFAOYSA-N 0 0 189.258 2.854 10 0 AFAERN CCCCc1cc(C)[nH]c1C 168772443 344336982 /nfs/dbraw/zinc/33/69/82/344336982.db2.gz FVPWJPWIRJNCAA-UHFFFAOYSA-N 0 0 151.253 2.974 10 0 AFAERN CNc1cc(F)c(F)cc1Cl 168818690 344338358 /nfs/dbraw/zinc/33/83/58/344338358.db2.gz XPOOKQWADHVCLW-UHFFFAOYSA-N 0 0 177.581 2.660 10 0 AFAERN C/C=C/CCNc1nccs1 168855111 344338761 /nfs/dbraw/zinc/33/87/61/344338761.db2.gz RDHNBSNXQFLVBB-NSCUHMNNSA-N 0 0 168.265 2.521 10 0 AFAERN C/C=C/CCNc1ccc(Cl)nn1 168859418 344338786 /nfs/dbraw/zinc/33/87/86/344338786.db2.gz JUAQXXNRUCVLHA-NSCUHMNNSA-N 0 0 197.669 2.508 10 0 AFAERN CNc1cccc(F)c1C(F)(F)F 168867892 344338968 /nfs/dbraw/zinc/33/89/68/344338968.db2.gz UKVVUXLPRQRXAY-UHFFFAOYSA-N 0 0 193.143 2.886 10 0 AFAERN CC1([C@H](O)c2cccnc2)CCCC1 168878332 344339261 /nfs/dbraw/zinc/33/92/61/344339261.db2.gz KCRNCUNBKCMECK-LLVKDONJSA-N 0 0 191.274 2.695 10 0 AFAERN CCC(C)(C)[C@@H](O)c1cncc(F)c1 168904259 344339505 /nfs/dbraw/zinc/33/95/05/344339505.db2.gz IORDJORNMCHVLG-JTQLQIEISA-N 0 0 197.253 2.690 10 0 AFAERN CCC(C)(C)[C@H](O)c1cncc(F)c1 168904163 344339657 /nfs/dbraw/zinc/33/96/57/344339657.db2.gz IORDJORNMCHVLG-SNVBAGLBSA-N 0 0 197.253 2.690 10 0 AFAERN Cc1cc(Cl)c2c(n1)C(=O)CCC2 168934120 344340467 /nfs/dbraw/zinc/34/04/67/344340467.db2.gz GLMKPSLYKDUBON-UHFFFAOYSA-N 0 0 195.649 2.562 10 0 AFAERN CCCCC[C@@H](C)OC(=O)OC 168952421 344340878 /nfs/dbraw/zinc/34/08/78/344340878.db2.gz ZDURSLRMEKTYBI-MRVPVSSYSA-N 0 0 174.240 2.738 10 0 AFAERN CCCCC[C@H](C)OC(=O)OC 168952495 344341028 /nfs/dbraw/zinc/34/10/28/344341028.db2.gz ZDURSLRMEKTYBI-QMMMGPOBSA-N 0 0 174.240 2.738 10 0 AFAERN Fc1cccc2[nH]cc(Cl)c12 169012049 344342466 /nfs/dbraw/zinc/34/24/66/344342466.db2.gz PCFUOFPAEJYIJC-UHFFFAOYSA-N 0 0 169.586 2.960 10 0 AFAERN FCCOc1cc(F)ccc1Cl 169074974 344343954 /nfs/dbraw/zinc/34/39/54/344343954.db2.gz TTZIJTIUEYCUKJ-UHFFFAOYSA-N 0 0 192.592 2.827 10 0 AFAERN CC[C@H](O)c1c(C)oc(C)c1C 169088066 344344487 /nfs/dbraw/zinc/34/44/87/344344487.db2.gz RWWLNFLRECETTF-VIFPVBQESA-N 0 0 168.236 2.648 10 0 AFAERN CC[C@@H](O)c1c(C)oc(C)c1C 169088152 344344662 /nfs/dbraw/zinc/34/46/62/344344662.db2.gz RWWLNFLRECETTF-SECBINFHSA-N 0 0 168.236 2.648 10 0 AFAERN CC1=CC[P@@](=O)(OC(C)C)C1 196257591 344356417 /nfs/dbraw/zinc/35/64/17/344356417.db2.gz UZTZZVOPVZIZJI-LLVKDONJSA-N 0 0 174.180 2.649 10 0 AFAERN CNc1ccc2cc(C)c(F)cc2n1 169121248 344345960 /nfs/dbraw/zinc/34/59/60/344345960.db2.gz LZKCAIDZWVYLJO-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN Nc1cc(Cl)c(Cl)c(F)c1F 169122493 344346172 /nfs/dbraw/zinc/34/61/72/344346172.db2.gz HYHODVRCFCLNOF-UHFFFAOYSA-N 0 0 197.999 2.854 10 0 AFAERN Nc1ccnc2cc(F)c(Cl)cc12 169131604 344346238 /nfs/dbraw/zinc/34/62/38/344346238.db2.gz DSKXRFPVYBQQRV-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CC(=O)[C@@H](C)[C@@H](C)C(C)C 196262283 344356421 /nfs/dbraw/zinc/35/64/21/344356421.db2.gz UWLQHQSZFFVTBU-YUMQZZPRSA-N 0 0 142.242 2.504 10 0 AFAERN FCCn1ccc2c(F)cccc21 169150680 344346679 /nfs/dbraw/zinc/34/66/79/344346679.db2.gz OFTVUZQOOBCVIO-UHFFFAOYSA-N 0 0 181.185 2.750 10 0 AFAERN Nc1ccc2cc(Cl)c(F)cc2n1 169145623 344346757 /nfs/dbraw/zinc/34/67/57/344346757.db2.gz SYWJPVVUZJZVJQ-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CCOCn1ccc2c(F)cccc21 169149447 344346941 /nfs/dbraw/zinc/34/69/41/344346941.db2.gz IBSPJSXJUFNBHJ-UHFFFAOYSA-N 0 0 193.221 2.774 10 0 AFAERN CC[C@H](O)c1c[nH]c2cccc(F)c12 169160035 344347323 /nfs/dbraw/zinc/34/73/23/344347323.db2.gz GREFOVLKALBJDD-JTQLQIEISA-N 0 0 193.221 2.750 10 0 AFAERN CC[C@@H](O)c1c[nH]c2cccc(F)c12 169160119 344347382 /nfs/dbraw/zinc/34/73/82/344347382.db2.gz GREFOVLKALBJDD-SNVBAGLBSA-N 0 0 193.221 2.750 10 0 AFAERN Fc1ccc(OCC2CCCC2)cn1 169202159 344348473 /nfs/dbraw/zinc/34/84/73/344348473.db2.gz GJDVMOGEHSFQPU-UHFFFAOYSA-N 0 0 195.237 2.790 10 0 AFAERN Cc1cc(Cl)cc(N)c1C 169193911 344348483 /nfs/dbraw/zinc/34/84/83/344348483.db2.gz HTFGDDRVWNTBDE-UHFFFAOYSA-N 0 0 155.628 2.539 10 0 AFAERN Fc1ccc(OC2CCCCC2)cn1 169204758 344348538 /nfs/dbraw/zinc/34/85/38/344348538.db2.gz BPWPIULACDAMIJ-UHFFFAOYSA-N 0 0 195.237 2.932 10 0 AFAERN CCOC1CC(Nc2ccsc2)C1 169212278 344349060 /nfs/dbraw/zinc/34/90/60/344349060.db2.gz JWKRLFWKYNHOCJ-UHFFFAOYSA-N 0 0 197.303 2.728 10 0 AFAERN CNc1nc(C)c(C(C)C)s1 169229324 344349212 /nfs/dbraw/zinc/34/92/12/344349212.db2.gz UNVQCNRCGRWNSR-UHFFFAOYSA-N 0 0 170.281 2.617 10 0 AFAERN CCCC[C@]1(O)CCCc2occc21 169235776 344349404 /nfs/dbraw/zinc/34/94/04/344349404.db2.gz QOWOWPRIBPXNJB-LBPRGKRZSA-N 0 0 194.274 2.994 10 0 AFAERN CC(C)=C[C@]1(O)CCCc2occc21 169242304 344349429 /nfs/dbraw/zinc/34/94/29/344349429.db2.gz OTIJZBIXRZHZJK-GFCCVEGCSA-N 0 0 192.258 2.770 10 0 AFAERN CC(C)(C)[C@@]1(O)CCCc2occc21 169244850 344349484 /nfs/dbraw/zinc/34/94/84/344349484.db2.gz VWFYLFQXAUGSRX-GFCCVEGCSA-N 0 0 194.274 2.850 10 0 AFAERN CC(C)=C[C@@]1(O)CCCc2occc21 169242384 344349532 /nfs/dbraw/zinc/34/95/32/344349532.db2.gz OTIJZBIXRZHZJK-LBPRGKRZSA-N 0 0 192.258 2.770 10 0 AFAERN CCCC[C@@]1(O)CCCc2occc21 169235855 344349610 /nfs/dbraw/zinc/34/96/10/344349610.db2.gz QOWOWPRIBPXNJB-GFCCVEGCSA-N 0 0 194.274 2.994 10 0 AFAERN CC(C)(C)[C@]1(O)CCCc2occc21 169244778 344349648 /nfs/dbraw/zinc/34/96/48/344349648.db2.gz VWFYLFQXAUGSRX-LBPRGKRZSA-N 0 0 194.274 2.850 10 0 AFAERN C[C@@](O)(c1ccoc1)C1CCCC1 169250729 344349746 /nfs/dbraw/zinc/34/97/46/344349746.db2.gz OTPZDXSVWBIFIU-NSHDSACASA-N 0 0 180.247 2.677 10 0 AFAERN CCC(CC)Nc1cnc(C)c(C)n1 169271356 344349840 /nfs/dbraw/zinc/34/98/40/344349840.db2.gz IZAFLIVQSUUQBC-UHFFFAOYSA-N 0 0 193.294 2.694 10 0 AFAERN C[C@](O)(c1ccoc1)C1CCCC1 169250800 344349843 /nfs/dbraw/zinc/34/98/43/344349843.db2.gz OTPZDXSVWBIFIU-LLVKDONJSA-N 0 0 180.247 2.677 10 0 AFAERN CC(C)=Cc1ccc(CO)cc1 169259354 344349904 /nfs/dbraw/zinc/34/99/04/344349904.db2.gz NNPHMJDGNJDHOU-UHFFFAOYSA-N 0 0 162.232 2.602 10 0 AFAERN Cc1ncc2c(n1)-c1ccccc1CC2 169318174 344350309 /nfs/dbraw/zinc/35/03/09/344350309.db2.gz NJALQRDKONEBLT-UHFFFAOYSA-N 0 0 196.253 2.551 10 0 AFAERN Cc1ccc(O)c2c(F)cccc12 169558298 344350749 /nfs/dbraw/zinc/35/07/49/344350749.db2.gz VAQZRVMWPIRLFX-UHFFFAOYSA-N 0 0 176.190 2.993 10 0 AFAERN CCC[P@@]1(=O)CC=C(C)C1 169542593 344350774 /nfs/dbraw/zinc/35/07/74/344350774.db2.gz CPXATNNDAACXBL-SNVBAGLBSA-N 0 0 158.181 2.719 10 0 AFAERN Cc1cp(C#N)cc1C 169413783 344350881 /nfs/dbraw/zinc/35/08/81/344350881.db2.gz PLZYPWIHJFBTNI-UHFFFAOYSA-N 0 0 137.122 2.619 10 0 AFAERN CCC[P@]1(=O)CC=C(C)C1 169542600 344350922 /nfs/dbraw/zinc/35/09/22/344350922.db2.gz CPXATNNDAACXBL-JTQLQIEISA-N 0 0 158.181 2.719 10 0 AFAERN CC(C)(C)[Si](C)(C)/C=C/CO 196057582 344355396 /nfs/dbraw/zinc/35/53/96/344355396.db2.gz CIOQXNAHXFPMPS-SOFGYWHQSA-N 0 0 172.344 2.583 10 0 AFAERN C[C@@H](CO)C/C=C/c1ccccc1 196180545 344355999 /nfs/dbraw/zinc/35/59/99/344355999.db2.gz DKHVZRFQNNLHEB-FZPLPXEFSA-N 0 0 176.259 2.718 10 0 AFAERN C[Si](C)(C)[C@H]1CCCCC1=O 196184973 344356027 /nfs/dbraw/zinc/35/60/27/344356027.db2.gz UIZHOMUSOLRITP-VIFPVBQESA-N 0 0 170.328 2.838 10 0 AFAERN C[Si](C)(C)[C@@H]1CCCCC1=O 196184965 344356154 /nfs/dbraw/zinc/35/61/54/344356154.db2.gz UIZHOMUSOLRITP-SECBINFHSA-N 0 0 170.328 2.838 10 0 AFAERN CC(=O)OC1=C(C)Cc2ccccc21 196235651 344356398 /nfs/dbraw/zinc/35/63/98/344356398.db2.gz ACHDMGNOICYFBM-UHFFFAOYSA-N 0 0 188.226 2.537 10 0 AFAERN CC1=CC[C@H]2C(=O)CCC[C@@H]2C1 196235544 344356503 /nfs/dbraw/zinc/35/65/03/344356503.db2.gz LPPFWYHMYXLSTR-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=CC[P@](=O)(OC(C)C)C1 196257585 344356513 /nfs/dbraw/zinc/35/65/13/344356513.db2.gz UZTZZVOPVZIZJI-NSHDSACASA-N 0 0 174.180 2.649 10 0 AFAERN C1=C[C@H]2C[C@@H]1C1=C2[C@@H]2C=C[C@H]1C2 196229781 344356535 /nfs/dbraw/zinc/35/65/35/344356535.db2.gz KWPLEXGYQPSPLP-FIRGSJFUSA-N 0 0 156.228 2.695 10 0 AFAERN CCc1ccc2oc(=O)cc(C)c2c1 196238388 344356555 /nfs/dbraw/zinc/35/65/55/344356555.db2.gz KXJCGZGCHWJJJH-UHFFFAOYSA-N 0 0 188.226 2.664 10 0 AFAERN CC(=O)[C@H](C)[C@H](C)C(C)C 196262261 344356586 /nfs/dbraw/zinc/35/65/86/344356586.db2.gz UWLQHQSZFFVTBU-HTQZYQBOSA-N 0 0 142.242 2.504 10 0 AFAERN CCCCN1CCc2c(C)cc[nH+]c21 196252161 344356688 /nfs/dbraw/zinc/35/66/88/344356688.db2.gz REDFPAAYZSFMMK-UHFFFAOYSA-N 0 0 190.290 2.553 10 0 AFAERN CC(=O)[C@@H](C)[C@H](C)C(C)C 196262270 344356728 /nfs/dbraw/zinc/35/67/28/344356728.db2.gz UWLQHQSZFFVTBU-SFYZADRCSA-N 0 0 142.242 2.504 10 0 AFAERN Cc1ccc2sc(=O)ccc2c1 196400664 344357343 /nfs/dbraw/zinc/35/73/43/344357343.db2.gz GMBDTRTUBNHGGZ-UHFFFAOYSA-N 0 0 176.240 2.570 10 0 AFAERN CC(C)C[C@H]1OCCC(C)(C)O1 196406432 344357356 /nfs/dbraw/zinc/35/73/56/344357356.db2.gz JKEZOTPYPOUIAK-VIFPVBQESA-N 0 0 172.268 2.574 10 0 AFAERN Cc1nc(C)n(-c2ccccc2)c1C 196426089 344357372 /nfs/dbraw/zinc/35/73/72/344357372.db2.gz HLUKBNUNRRERNX-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN C[Si](C)(C)C(=O)c1ccc(F)cc1 196395685 344357399 /nfs/dbraw/zinc/35/73/99/344357399.db2.gz XXRKDCBKUDEDNG-UHFFFAOYSA-N 0 0 196.297 2.886 10 0 AFAERN CCC(C)=C=CP(=O)(OC)OC 196557460 344357650 /nfs/dbraw/zinc/35/76/50/344357650.db2.gz UFMXVSDHUDBRKR-UHFFFAOYSA-N 0 0 190.179 2.941 10 0 AFAERN COc1ccc(Cc2ccoc2)cc1 196549486 344357678 /nfs/dbraw/zinc/35/76/78/344357678.db2.gz ZFEWMRAZXABKCQ-UHFFFAOYSA-N 0 0 188.226 2.879 10 0 AFAERN C=C[Si](C)(C)C(C)C 196553100 344357729 /nfs/dbraw/zinc/35/77/29/344357729.db2.gz ZANLHFYBZOVNFO-UHFFFAOYSA-N 0 0 128.291 2.830 10 0 AFAERN FC1=C(F)OC(Cl)=C(Cl)O1 196600661 344357930 /nfs/dbraw/zinc/35/79/30/344357930.db2.gz ATVQAUYIOVKCLJ-UHFFFAOYSA-N 0 0 188.944 2.703 10 0 AFAERN CCO[C@@H]1CC[C@@H](c2ccccc2)O1 196596118 344357934 /nfs/dbraw/zinc/35/79/34/344357934.db2.gz PDOZHZKVNNDKSM-RYUDHWBXSA-N 0 0 192.258 2.901 10 0 AFAERN CCc1cc(N)ccc1SC 196596602 344357968 /nfs/dbraw/zinc/35/79/68/344357968.db2.gz ZYRUGRQKROHLRG-UHFFFAOYSA-N 0 0 167.277 2.553 10 0 AFAERN CCO[C@@H]1CC[C@H](c2ccccc2)O1 196596105 344357971 /nfs/dbraw/zinc/35/79/71/344357971.db2.gz PDOZHZKVNNDKSM-NEPJUHHUSA-N 0 0 192.258 2.901 10 0 AFAERN CCO[C@H]1CC[C@@H](c2ccccc2)O1 196596125 344358003 /nfs/dbraw/zinc/35/80/03/344358003.db2.gz PDOZHZKVNNDKSM-NWDGAFQWSA-N 0 0 192.258 2.901 10 0 AFAERN CCO[C@H]1CC[C@H](c2ccccc2)O1 196596110 344358008 /nfs/dbraw/zinc/35/80/08/344358008.db2.gz PDOZHZKVNNDKSM-VXGBXAGGSA-N 0 0 192.258 2.901 10 0 AFAERN C/C=C(\C)C(C)(O)/C(C)=C/C 196788515 344358729 /nfs/dbraw/zinc/35/87/29/344358729.db2.gz PPHDOWYKGIXOMD-CDJQDVQCSA-N 0 0 154.253 2.670 10 0 AFAERN C1=C[C@@H](C2CCCCC2)OC1 196759679 344358817 /nfs/dbraw/zinc/35/88/17/344358817.db2.gz RBNUJKZTQZMAAD-JTQLQIEISA-N 0 0 152.237 2.522 10 0 AFAERN O[C@@H](c1ccccc1)[C@H]1C=CCC1 196781103 344358848 /nfs/dbraw/zinc/35/88/48/344358848.db2.gz BSOVLMYJFMOKCA-RYUDHWBXSA-N 0 0 174.243 2.686 10 0 AFAERN O=Cc1c[nH]c2c1ccc1ncccc12 196774792 344358873 /nfs/dbraw/zinc/35/88/73/344358873.db2.gz QKKZYZIGBDMXGF-UHFFFAOYSA-N 0 0 196.209 2.529 10 0 AFAERN Cc1cccc([S@](=O)C(C)C)c1 196756614 344358881 /nfs/dbraw/zinc/35/88/81/344358881.db2.gz HXFHXQKIPWQSNJ-GFCCVEGCSA-N 0 0 182.288 2.511 10 0 AFAERN CC[Si](/C=C/CO)(CC)CC 196743739 344358900 /nfs/dbraw/zinc/35/89/00/344358900.db2.gz CLDDQEXEMHBKEU-VQHVLOKHSA-N 0 0 172.344 2.583 10 0 AFAERN O[C@H](c1ccccc1)[C@@H]1C=CCC1 196781126 344358909 /nfs/dbraw/zinc/35/89/09/344358909.db2.gz BSOVLMYJFMOKCA-VXGBXAGGSA-N 0 0 174.243 2.686 10 0 AFAERN OCC1CCCCCCCC1 196715333 344358928 /nfs/dbraw/zinc/35/89/28/344358928.db2.gz KQTIRCUDIVJUNR-UHFFFAOYSA-N 0 0 156.269 2.729 10 0 AFAERN CNc1ccc(C(C)=O)c(Cl)c1 196784683 344358935 /nfs/dbraw/zinc/35/89/35/344358935.db2.gz WDLMXWDDYZFEEQ-UHFFFAOYSA-N 0 0 183.638 2.584 10 0 AFAERN c1c2c(cc3c1SC3)SC2 196742788 344358950 /nfs/dbraw/zinc/35/89/50/344358950.db2.gz HULFIBQMXYMTKS-UHFFFAOYSA-N 0 0 166.270 2.898 10 0 AFAERN COc1ccc([C@H]2CC[C@H](C)O2)cc1 199971320 344362311 /nfs/dbraw/zinc/36/23/11/344362311.db2.gz RICIIOLIUQUPAB-JOYOIKCWSA-N 0 0 192.258 2.935 10 0 AFAERN OC[C@@H]1CCCC2(CCCC2)C1 200101804 344362429 /nfs/dbraw/zinc/36/24/29/344362429.db2.gz CTXBFFOGPPCTLN-SNVBAGLBSA-N 0 0 168.280 2.729 10 0 AFAERN OC[C@H]1CCCC2(CCCC2)C1 200101771 344362549 /nfs/dbraw/zinc/36/25/49/344362549.db2.gz CTXBFFOGPPCTLN-JTQLQIEISA-N 0 0 168.280 2.729 10 0 AFAERN Cc1ccc(Cl)c2c1CCCO2 200782833 344363420 /nfs/dbraw/zinc/36/34/20/344363420.db2.gz NKRRQXQYWIGTCF-UHFFFAOYSA-N 0 0 182.650 2.973 10 0 AFAERN C[C@H]1C=CC(C)(C)C1 200784138 344363433 /nfs/dbraw/zinc/36/34/33/344363433.db2.gz DUDYIBGKPFJUEF-ZETCQYMHSA-N 0 0 110.200 2.609 10 0 AFAERN CCCC/C(C)=C\CCO 201066753 344364098 /nfs/dbraw/zinc/36/40/98/344364098.db2.gz ALBGDUNSWUFLEV-CLFYSBASSA-N 0 0 142.242 2.505 10 0 AFAERN COc1ccccc1[C@@H](C)F 201077514 344364322 /nfs/dbraw/zinc/36/43/22/344364322.db2.gz MRZBXDKJHHFRFA-SSDOTTSWSA-N 0 0 154.184 2.726 10 0 AFAERN CCc1c(C)cc(C)c(N)c1C 201076093 344364352 /nfs/dbraw/zinc/36/43/52/344364352.db2.gz ODSVIASIAUBCGY-UHFFFAOYSA-N 0 0 163.264 2.756 10 0 AFAERN CC(C)CN(C#N)c1ccccc1 201083848 344364354 /nfs/dbraw/zinc/36/43/54/344364354.db2.gz FRXDAKUWEPIMMP-UHFFFAOYSA-N 0 0 174.247 2.630 10 0 AFAERN COc1ccccc1[C@H](C)F 201077479 344364368 /nfs/dbraw/zinc/36/43/68/344364368.db2.gz MRZBXDKJHHFRFA-ZETCQYMHSA-N 0 0 154.184 2.726 10 0 AFAERN Cl/C=C\CNc1ccccc1 201336570 344365078 /nfs/dbraw/zinc/36/50/78/344365078.db2.gz DCONTOYFBUTBAX-DAXSKMNVSA-N 0 0 167.639 2.851 10 0 AFAERN C/C(=C\C(C)(C)O)c1ccccc1 201396358 344365253 /nfs/dbraw/zinc/36/52/53/344365253.db2.gz UOAQZPRNFIZVMF-MDZDMXLPSA-N 0 0 176.259 2.861 10 0 AFAERN CCCNc1ccc(NC)cc1 201601656 344365483 /nfs/dbraw/zinc/36/54/83/344365483.db2.gz LXVYERRFRKUMCC-UHFFFAOYSA-N 0 0 164.252 2.550 10 0 AFAERN Cc1noc([C@@H](C)CC(C)(C)C)n1 201954185 344366215 /nfs/dbraw/zinc/36/62/15/344366215.db2.gz TXJHDSZCPAWLQL-ZETCQYMHSA-N 0 0 182.267 2.918 10 0 AFAERN CC1(C)CCc2sccc2C1=O 202053911 344366552 /nfs/dbraw/zinc/36/65/52/344366552.db2.gz NREJFJQOKPQELY-UHFFFAOYSA-N 0 0 180.272 2.903 10 0 AFAERN CCCC1CC2(CC(=O)C2)C1 202760566 344367754 /nfs/dbraw/zinc/36/77/54/344367754.db2.gz OXHNMKKVLWQHFY-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ncc(-c2ccccc2)nc1C 202821448 344367797 /nfs/dbraw/zinc/36/77/97/344367797.db2.gz MIGFCPUGYVOFHE-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CCCC[C@H](C)[C@@H](CC)CO 203356640 344368238 /nfs/dbraw/zinc/36/82/38/344368238.db2.gz OVSYBIFFESNWJH-UWVGGRQHSA-N 0 0 158.285 2.831 10 0 AFAERN CCSCCc1cccc(C)n1 203751209 344368430 /nfs/dbraw/zinc/36/84/30/344368430.db2.gz HCRMXDJKEAIYOX-UHFFFAOYSA-N 0 0 181.304 2.686 10 0 AFAERN COc1cc(C)c2occc2c1 204073092 344368702 /nfs/dbraw/zinc/36/87/02/344368702.db2.gz WPBRITHVBZXGNX-UHFFFAOYSA-N 0 0 162.188 2.750 10 0 AFAERN C=C[Si]1(C=C)CCCC1 203937524 344368712 /nfs/dbraw/zinc/36/87/12/344368712.db2.gz AYKWKANXWIHKPA-UHFFFAOYSA-N 0 0 138.286 2.679 10 0 AFAERN CCCC/C=C\[C@@H]1CCCC(=O)O1 204047845 344368877 /nfs/dbraw/zinc/36/88/77/344368877.db2.gz ZUXLDWJHFXULGX-ONRRBMGISA-N 0 0 182.263 2.829 10 0 AFAERN CCCCCCc1cn(CCC)nn1 204079100 344368931 /nfs/dbraw/zinc/36/89/31/344368931.db2.gz WSVXELVGQDIPST-UHFFFAOYSA-N 0 0 195.310 2.811 10 0 AFAERN CSCc1cccc(N(C)C)c1 204141073 344369245 /nfs/dbraw/zinc/36/92/45/344369245.db2.gz GZSBHGJQNSNKPO-UHFFFAOYSA-N 0 0 181.304 2.616 10 0 AFAERN CC(C)(C)c1ncn(C2CCCC2)n1 204218669 344369447 /nfs/dbraw/zinc/36/94/47/344369447.db2.gz CZFGYUFMBRYDOT-UHFFFAOYSA-N 0 0 193.294 2.691 10 0 AFAERN COCCn1ccc2cccc(C)c21 204470748 344369643 /nfs/dbraw/zinc/36/96/43/344369643.db2.gz BNADOLRLLAPSJT-UHFFFAOYSA-N 0 0 189.258 2.596 10 0 AFAERN COc1cccc(-c2nc(C)co2)c1 204720923 344369951 /nfs/dbraw/zinc/36/99/51/344369951.db2.gz WTXQFNXZFWLAEQ-UHFFFAOYSA-N 0 0 189.214 2.659 10 0 AFAERN CCOC(=N)CCc1ccccc1F 204950037 344370427 /nfs/dbraw/zinc/37/04/27/344370427.db2.gz FYRXWFYLTAZZGA-UHFFFAOYSA-N 0 0 195.237 2.772 10 0 AFAERN CSc1ccc(C=O)c(SC)c1 205289624 344371147 /nfs/dbraw/zinc/37/11/47/344371147.db2.gz QSJSJDLNFYZZCY-UHFFFAOYSA-N 0 0 198.312 2.943 10 0 AFAERN CCOC(=O)/C=C1/CCCC[C@H]1C 205351693 344371170 /nfs/dbraw/zinc/37/11/70/344371170.db2.gz HNSZAMVXYHEQLD-URLRMUCDSA-N 0 0 182.263 2.686 10 0 AFAERN C/C=C(/C)C(C)(O)/C(C)=C\C 205599676 344374244 /nfs/dbraw/zinc/37/42/44/344374244.db2.gz PPHDOWYKGIXOMD-VRHVFUOLSA-N 0 0 154.253 2.670 10 0 AFAERN CCOC(=O)/C=C/C=C/CC(C)C 205783713 344374533 /nfs/dbraw/zinc/37/45/33/344374533.db2.gz VTLJDPDIHCMSAX-SBIWHPGTSA-N 0 0 182.263 2.708 10 0 AFAERN C/C=C/NC(=O)c1ccc(Cl)cc1 205757321 344374554 /nfs/dbraw/zinc/37/45/54/344374554.db2.gz WMSADEUJAWCIJJ-FARCUNLSSA-N 0 0 195.649 2.603 10 0 AFAERN CC(C)=CCc1c(C)nn(C)c1C 205739624 344374834 /nfs/dbraw/zinc/37/48/34/344374834.db2.gz PIVHICNHLXEKMK-UHFFFAOYSA-N 0 0 178.279 2.546 10 0 AFAERN C[Si](C)(C)C1CCC(O)CC1 206004681 344375226 /nfs/dbraw/zinc/37/52/26/344375226.db2.gz XWKIUBABXSPXHC-UHFFFAOYSA-N 0 0 172.344 2.630 10 0 AFAERN Cc1ccc(/C=C\CCCO)cc1 206790157 344375393 /nfs/dbraw/zinc/37/53/93/344375393.db2.gz BQANUJYSXSTOTQ-HYXAFXHYSA-N 0 0 176.259 2.781 10 0 AFAERN CC/C(C)=C1\C(=O)Nc2ccccc21 206593914 344375485 /nfs/dbraw/zinc/37/54/85/344375485.db2.gz FURLUURZVUETJR-FLIBITNWSA-N 0 0 187.242 2.822 10 0 AFAERN C[C@H](CO)C/C=C/c1ccccc1 206704260 344375655 /nfs/dbraw/zinc/37/56/55/344375655.db2.gz DKHVZRFQNNLHEB-NKLKJHRZSA-N 0 0 176.259 2.718 10 0 AFAERN COc1ccc(/C=C/C(F)F)cc1 207123538 344375997 /nfs/dbraw/zinc/37/59/97/344375997.db2.gz NIZLGMIHMZUXON-QPJJXVBHSA-N 0 0 184.185 2.974 10 0 AFAERN C/C1=C\CCCC(=O)CCC1 207549144 344376072 /nfs/dbraw/zinc/37/60/72/344376072.db2.gz USIUIHFRXOLFEF-WEVVVXLNSA-N 0 0 152.237 2.856 10 0 AFAERN CCOC(CC=C=C(C)C)OCC 207040358 344376110 /nfs/dbraw/zinc/37/61/10/344376110.db2.gz HFDPNGFSSZVGBM-UHFFFAOYSA-N 0 0 184.279 2.897 10 0 AFAERN NN(c1ccccc1)c1ccsc1 207081185 344376121 /nfs/dbraw/zinc/37/61/21/344376121.db2.gz OWHQFXPWKXAVHV-UHFFFAOYSA-N 0 0 190.271 2.760 10 0 AFAERN CCCC[C@@H](C)[C@H](CC)CO 208010389 344376414 /nfs/dbraw/zinc/37/64/14/344376414.db2.gz OVSYBIFFESNWJH-NXEZZACHSA-N 0 0 158.285 2.831 10 0 AFAERN C=C/C=C\OCc1ccccc1 208382001 344376490 /nfs/dbraw/zinc/37/64/90/344376490.db2.gz BMMVLUGMGHHLOD-OQFOIZHKSA-N 0 0 160.216 2.903 10 0 AFAERN C[C@@H]([NH3+])c1nc(CC(C)(C)C)cs1 208344206 344376508 /nfs/dbraw/zinc/37/65/08/344376508.db2.gz TXLGWIJDPAOMOD-SSDOTTSWSA-N 0 0 198.335 2.751 10 0 AFAERN CCCC[C@H](C)[C@H](CC)CO 208010428 344376552 /nfs/dbraw/zinc/37/65/52/344376552.db2.gz OVSYBIFFESNWJH-VHSXEESVSA-N 0 0 158.285 2.831 10 0 AFAERN C=Cc1cnccc1C(C)C 208356707 344376561 /nfs/dbraw/zinc/37/65/61/344376561.db2.gz BPQGOEKYLZVUOA-UHFFFAOYSA-N 0 0 147.221 2.848 10 0 AFAERN COc1ccc(/C=C\F)cc1 209081578 344376686 /nfs/dbraw/zinc/37/66/86/344376686.db2.gz BVBLWWZTZWLTHF-SREVYHEPSA-N 0 0 152.168 2.635 10 0 AFAERN CCCC[C@@H](C)[C@@H](CC)CO 208010348 344376705 /nfs/dbraw/zinc/37/67/05/344376705.db2.gz OVSYBIFFESNWJH-ZJUUUORDSA-N 0 0 158.285 2.831 10 0 AFAERN Cc1noc([C@H](C)CC(C)(C)C)n1 209393738 344376927 /nfs/dbraw/zinc/37/69/27/344376927.db2.gz TXJHDSZCPAWLQL-SSDOTTSWSA-N 0 0 182.267 2.918 10 0 AFAERN CC1=CC[C@]2(C)CC[C@@H]12 209585093 344377080 /nfs/dbraw/zinc/37/70/80/344377080.db2.gz YXNBVINUAHKUTR-DTWKUNHWSA-N 0 0 122.211 2.753 10 0 AFAERN CCCCCC[C@@H]1C[C@@H]1CO 210623278 344377395 /nfs/dbraw/zinc/37/73/95/344377395.db2.gz NJDBYPOLUVLNGL-NXEZZACHSA-N 0 0 156.269 2.585 10 0 AFAERN C=CC[C@@H](C)C(=O)C#C[Si](C)(C)C 211252134 344377484 /nfs/dbraw/zinc/37/74/84/344377484.db2.gz FKMFALZFEFOCNK-SNVBAGLBSA-N 0 0 194.350 2.649 10 0 AFAERN C=Cc1c[nH]c2cc(F)ccc12 210532201 344377499 /nfs/dbraw/zinc/37/74/99/344377499.db2.gz JZGAWTUCCKMBAR-UHFFFAOYSA-N 0 0 161.179 2.950 10 0 AFAERN O=C1CC[C@@H](c2cccc(Cl)c2)O1 211737436 344378512 /nfs/dbraw/zinc/37/85/12/344378512.db2.gz BXCLFOKTWQYCRY-VIFPVBQESA-N 0 0 196.633 2.718 10 0 AFAERN CCc1cc(NC(C)=O)c(C)s1 211774989 344378656 /nfs/dbraw/zinc/37/86/56/344378656.db2.gz WISTYZPMJHOHKW-UHFFFAOYSA-N 0 0 183.276 2.577 10 0 AFAERN Cc1ccc(C2=NOC(C)(C)C2)cc1 211948046 344379157 /nfs/dbraw/zinc/37/91/57/344379157.db2.gz PJGARPPQYUNYJT-UHFFFAOYSA-N 0 0 189.258 2.898 10 0 AFAERN CC1(C)CC=NN1c1ccccc1 211805384 344379185 /nfs/dbraw/zinc/37/91/85/344379185.db2.gz DUWFLHOVAZZZHP-UHFFFAOYSA-N 0 0 174.247 2.661 10 0 AFAERN CC(C)/C(=C/c1ccccc1)CO 212016211 344379427 /nfs/dbraw/zinc/37/94/27/344379427.db2.gz PSJHYUZTZPCSPA-XYOKQWHBSA-N 0 0 176.259 2.718 10 0 AFAERN CNc1ccccc1C(F)F 212019787 344379591 /nfs/dbraw/zinc/37/95/91/344379591.db2.gz BMECWZMAVFBSBB-UHFFFAOYSA-N 0 0 157.163 2.666 10 0 AFAERN CNc1cccc(C(C)(F)F)c1 212471469 344379855 /nfs/dbraw/zinc/37/98/55/344379855.db2.gz GSASAVXZOJRIAT-UHFFFAOYSA-N 0 0 171.190 2.840 10 0 AFAERN Fc1ccc2c(c1)C1(CCC1)CN2 213085454 344380690 /nfs/dbraw/zinc/38/06/90/344380690.db2.gz HGTCFNGBHOMFON-UHFFFAOYSA-N 0 0 177.222 2.673 10 0 AFAERN FCCCOCc1ccccc1 213561709 344381196 /nfs/dbraw/zinc/38/11/96/344381196.db2.gz IIPRPKXEFQUGHH-UHFFFAOYSA-N 0 0 168.211 2.563 10 0 AFAERN C/C(=C/CCc1ccccc1)CO 213294926 344381318 /nfs/dbraw/zinc/38/13/18/344381318.db2.gz LJTUECUSBYDXRD-WDZFZDKYSA-N 0 0 176.259 2.558 10 0 AFAERN C/C(=C\CCc1ccccc1)CO 213294862 344381395 /nfs/dbraw/zinc/38/13/95/344381395.db2.gz LJTUECUSBYDXRD-IZZDOVSWSA-N 0 0 176.259 2.558 10 0 AFAERN CC(C)/C=C/[C@H](C)[C@H]1C(=O)OC[C@@H]1C 214394951 344382354 /nfs/dbraw/zinc/38/23/54/344382354.db2.gz DDYGRUGULGOQNF-HHIZAXHSSA-N 0 0 196.290 2.644 10 0 AFAERN Nc1ccc(-c2ccc[nH]2)c(Cl)c1 214745857 344382669 /nfs/dbraw/zinc/38/26/69/344382669.db2.gz UPQLWVMOUDPPAP-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN Nc1cc(Cl)ccc1-c1ccc[nH]1 214738712 344382703 /nfs/dbraw/zinc/38/27/03/344382703.db2.gz OBENZMMNVAYDBT-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN Nc1ccc(Cl)c(-c2ccc[nH]2)c1 214745941 344382725 /nfs/dbraw/zinc/38/27/25/344382725.db2.gz UXUUAEPCZOPIMJ-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN Cc1ccc(-c2ccc[nH]2)cc1N 214730907 344382733 /nfs/dbraw/zinc/38/27/33/344382733.db2.gz JUDKSVVHPSJSCH-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Cc1ccc(F)c([C@@]2(O)C[C@H]2C)c1F 214810336 344383041 /nfs/dbraw/zinc/38/30/41/344383041.db2.gz OKTGCKQVVHDGSM-RDDDGLTNSA-N 0 0 198.212 2.501 10 0 AFAERN Cc1ccc(F)c([C@@]2(O)C[C@@H]2C)c1F 214810241 344383055 /nfs/dbraw/zinc/38/30/55/344383055.db2.gz OKTGCKQVVHDGSM-WRWORJQWSA-N 0 0 198.212 2.501 10 0 AFAERN Cc1ccc(N)cc1-c1ccc[nH]1 214779505 344383119 /nfs/dbraw/zinc/38/31/19/344383119.db2.gz YUKPVDFDCZYVHP-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Cc1ccc(F)c([C@]2(O)C[C@@H]2C)c1F 214810195 344383126 /nfs/dbraw/zinc/38/31/26/344383126.db2.gz OKTGCKQVVHDGSM-CPCISQLKSA-N 0 0 198.212 2.501 10 0 AFAERN Cc1ccc(-c2ccc[nH]2)c(N)c1 214785664 344383127 /nfs/dbraw/zinc/38/31/27/344383127.db2.gz GSPSLLDZPMLYBW-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CCc1ccc(-c2ccc[nH]2)cc1N 214759264 344383238 /nfs/dbraw/zinc/38/32/38/344383238.db2.gz OEUCEXAXJNBZKL-UHFFFAOYSA-N 0 0 186.258 2.826 10 0 AFAERN Cc1ccc(F)c([C@]2(O)C[C@H]2C)c1F 214810291 344383314 /nfs/dbraw/zinc/38/33/14/344383314.db2.gz OKTGCKQVVHDGSM-HQJQHLMTSA-N 0 0 198.212 2.501 10 0 AFAERN CCNc1c(F)ccc(C)c1F 214853696 344383598 /nfs/dbraw/zinc/38/35/98/344383598.db2.gz NTKUPBOOQZJCIE-UHFFFAOYSA-N 0 0 171.190 2.705 10 0 AFAERN C/C=C\COc1cccc(F)c1 214888899 344383745 /nfs/dbraw/zinc/38/37/45/344383745.db2.gz QHAMBCZKSXTNTP-IHWYPQMZSA-N 0 0 166.195 2.781 10 0 AFAERN CCn1c(Cl)nc2cc(F)ccc21 214952136 344384443 /nfs/dbraw/zinc/38/44/43/344384443.db2.gz HJEOZXAMVGAZAL-UHFFFAOYSA-N 0 0 198.628 2.849 10 0 AFAERN CC[C@@H](O)[C@@H]1CCc2c(F)cccc21 215018870 344384847 /nfs/dbraw/zinc/38/48/47/344384847.db2.gz YAHUEUYUGDAFLL-ZYHUDNBSSA-N 0 0 194.249 2.626 10 0 AFAERN CC[C@H](O)[C@H]1CCc2c(F)cccc21 215018917 344384859 /nfs/dbraw/zinc/38/48/59/344384859.db2.gz YAHUEUYUGDAFLL-JQWIXIFHSA-N 0 0 194.249 2.626 10 0 AFAERN CC(C)[C@@]1(O)CCc2c(F)cccc21 214982883 344384920 /nfs/dbraw/zinc/38/49/20/344384920.db2.gz WNEBLDLIYGNMJO-LBPRGKRZSA-N 0 0 194.249 2.616 10 0 AFAERN CC[C@H](O)[C@@H]1CCc2c(F)cccc21 215018824 344384922 /nfs/dbraw/zinc/38/49/22/344384922.db2.gz YAHUEUYUGDAFLL-PWSUYJOCSA-N 0 0 194.249 2.626 10 0 AFAERN CC[C@@H](O)[C@H]1CCc2c(F)cccc21 215018959 344384933 /nfs/dbraw/zinc/38/49/33/344384933.db2.gz YAHUEUYUGDAFLL-CMPLNLGQSA-N 0 0 194.249 2.626 10 0 AFAERN Cc1ccc(F)c(NCCF)c1F 215073197 344385537 /nfs/dbraw/zinc/38/55/37/344385537.db2.gz SQDMTRRRLDLODG-UHFFFAOYSA-N 0 0 189.180 2.655 10 0 AFAERN CC1(C)C[C@@H]1[C@@H](O)C1CCCC1 215107404 344385863 /nfs/dbraw/zinc/38/58/63/344385863.db2.gz GBDUIQIQHOUWBP-ZJUUUORDSA-N 0 0 168.280 2.584 10 0 AFAERN C/C(=C1/OC(=O)[C@@H]1C)c1ccccc1 215162128 344386661 /nfs/dbraw/zinc/38/66/61/344386661.db2.gz XFAWQXBGNUNFJB-LZUGORFDSA-N 0 0 188.226 2.611 10 0 AFAERN CC(=O)Nc1ccc(C(F)F)cc1 215206702 344387373 /nfs/dbraw/zinc/38/73/73/344387373.db2.gz GRZDJXBNQXQHMY-UHFFFAOYSA-N 0 0 185.173 2.583 10 0 AFAERN CC1(C)C[C@@H](n2cccc2)CCO1 215434501 344389080 /nfs/dbraw/zinc/38/90/80/344389080.db2.gz XILVRYXDQAIDHL-JTQLQIEISA-N 0 0 179.263 2.618 10 0 AFAERN CC(C)(C)[C@](C)(O)c1ccc(O)cc1 215415837 344389109 /nfs/dbraw/zinc/38/91/09/344389109.db2.gz ZWXOAEHBAVPVPO-GFCCVEGCSA-N 0 0 194.274 2.646 10 0 AFAERN CC1(C)C[C@H](n2cccc2)CCO1 215434453 344389116 /nfs/dbraw/zinc/38/91/16/344389116.db2.gz XILVRYXDQAIDHL-SNVBAGLBSA-N 0 0 179.263 2.618 10 0 AFAERN CC(C)(C)[C@@](C)(O)c1ccc(O)cc1 215415882 344389206 /nfs/dbraw/zinc/38/92/06/344389206.db2.gz ZWXOAEHBAVPVPO-LBPRGKRZSA-N 0 0 194.274 2.646 10 0 AFAERN CC(C)=C[C@](C)(O)c1ccc(O)cc1 215448393 344389211 /nfs/dbraw/zinc/38/92/11/344389211.db2.gz DTNWVDIBHKCHKX-LBPRGKRZSA-N 0 0 192.258 2.566 10 0 AFAERN CC(C)=C[C@@](C)(O)c1ccc(O)cc1 215448440 344389285 /nfs/dbraw/zinc/38/92/85/344389285.db2.gz DTNWVDIBHKCHKX-GFCCVEGCSA-N 0 0 192.258 2.566 10 0 AFAERN CC(=O)CCC(=O)CCC=C(C)C 215580593 344389965 /nfs/dbraw/zinc/38/99/65/344389965.db2.gz FTWGDDLOPLQWQT-UHFFFAOYSA-N 0 0 182.263 2.671 10 0 AFAERN CC/C=C\C/C=C\CCC(=O)OC 215629586 344390645 /nfs/dbraw/zinc/39/06/45/344390645.db2.gz OISIKRURBFYFBJ-UTOQUPLUSA-N 0 0 182.263 2.852 10 0 AFAERN COc1c(Cl)ccc2[nH]ccc12 215614101 344390760 /nfs/dbraw/zinc/39/07/60/344390760.db2.gz AZLHAQDLUFRBQV-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN CCOC(=O)CCC[Si](C)(C)C 215720048 344391511 /nfs/dbraw/zinc/39/15/11/344391511.db2.gz ZTVKGEALJSBLKX-UHFFFAOYSA-N 0 0 188.343 2.668 10 0 AFAERN Cc1cc(C)c2c(c1C)CCC2=O 215869789 344393687 /nfs/dbraw/zinc/39/36/87/344393687.db2.gz YQNSTOLBABKPBR-UHFFFAOYSA-N 0 0 174.243 2.741 10 0 AFAERN CCC/C=C/NC(=O)c1ccccc1 215956733 344394025 /nfs/dbraw/zinc/39/40/25/344394025.db2.gz ZJEKLAOGNWCNNH-JXMROGBWSA-N 0 0 189.258 2.730 10 0 AFAERN CCC/C=C\NC(=O)c1ccccc1 215956690 344394054 /nfs/dbraw/zinc/39/40/54/344394054.db2.gz ZJEKLAOGNWCNNH-YFHOEESVSA-N 0 0 189.258 2.730 10 0 AFAERN CC1(C)CC12CC2(C)C 216040534 344394486 /nfs/dbraw/zinc/39/44/86/344394486.db2.gz DMUUQJQKRRCPPL-UHFFFAOYSA-N 0 0 124.227 2.833 10 0 AFAERN CC(C)=CCCCCCCO 216166429 344395046 /nfs/dbraw/zinc/39/50/46/344395046.db2.gz YUACERZQBJIYFD-UHFFFAOYSA-N 0 0 156.269 2.895 10 0 AFAERN CCN1CCCCc2ccc(O)cc21 216233820 344395657 /nfs/dbraw/zinc/39/56/57/344395657.db2.gz MSFYEIPEHPVOOO-UHFFFAOYSA-N 0 0 191.274 2.555 10 0 AFAERN C/C=C\C[C@@H](O)c1ccc(F)cc1 216316733 344396566 /nfs/dbraw/zinc/39/65/66/344396566.db2.gz OYRWVUXHMLJGPJ-OTDNITJGSA-N 0 0 180.222 2.825 10 0 AFAERN C=C(c1ccccc1)c1cnccn1 216532995 344398199 /nfs/dbraw/zinc/39/81/99/344398199.db2.gz AUKIGZRLOXFRQU-UHFFFAOYSA-N 0 0 182.226 2.538 10 0 AFAERN OCC/C=C\Sc1ccccc1 216643688 344398429 /nfs/dbraw/zinc/39/84/29/344398429.db2.gz PWXMYZKZMIDKGY-UITAMQMPSA-N 0 0 180.272 2.675 10 0 AFAERN Nc1cc(Cl)cc(F)c1Cl 216611325 344398764 /nfs/dbraw/zinc/39/87/64/344398764.db2.gz TVJRNOCDUBTQRY-UHFFFAOYSA-N 0 0 180.009 2.715 10 0 AFAERN C/C(=C/CO)c1ccccc1Cl 216645538 344398839 /nfs/dbraw/zinc/39/88/39/344398839.db2.gz IIFLVLABRXFRGM-VURMDHGXSA-N 0 0 182.650 2.736 10 0 AFAERN CC(C)c1cc(O)cc2c1C(=O)CC2 216690628 344398986 /nfs/dbraw/zinc/39/89/86/344398986.db2.gz TWZBBHLIMLRDBJ-UHFFFAOYSA-N 0 0 190.242 2.645 10 0 AFAERN CCCCC1=C[C@H]2C(=O)C[C@H]2C1 217023124 344400151 /nfs/dbraw/zinc/40/01/51/344400151.db2.gz MAWTVVQBHMACTP-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CCCCC1=C[C@H]2C(=O)C[C@@H]2C1 217023040 344400159 /nfs/dbraw/zinc/40/01/59/344400159.db2.gz MAWTVVQBHMACTP-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN CCCCC1=C[C@@H]2C(=O)C[C@@H]2C1 217023082 344400169 /nfs/dbraw/zinc/40/01/69/344400169.db2.gz MAWTVVQBHMACTP-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc(C)cc(C(F)(F)[C@@H](C)N)c1 217009970 344400230 /nfs/dbraw/zinc/40/02/30/344400230.db2.gz AHPZRAZKGVBMND-SECBINFHSA-N 0 0 199.244 2.742 10 0 AFAERN Cc1cccc(C)c1C(F)(F)[C@@H](C)N 217009784 344400369 /nfs/dbraw/zinc/40/03/69/344400369.db2.gz OFRBYVOEJMHKQI-SECBINFHSA-N 0 0 199.244 2.742 10 0 AFAERN CCCCC1=C[C@@H]2C(=O)C[C@H]2C1 217023149 344400426 /nfs/dbraw/zinc/40/04/26/344400426.db2.gz MAWTVVQBHMACTP-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN COC(=O)C[C@@H]1CCCC(C)(C)C1 217715236 344405009 /nfs/dbraw/zinc/40/50/09/344405009.db2.gz KLTUSOIVZCSJMA-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN COC(=O)C[C@H]1CCCC(C)(C)C1 217715154 344405200 /nfs/dbraw/zinc/40/52/00/344405200.db2.gz KLTUSOIVZCSJMA-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)C1=C[C@H]2OC(C)(C)O[C@H]2C=C1 217716603 344405204 /nfs/dbraw/zinc/40/52/04/344405204.db2.gz ITUHSSBRRGERND-WDEREUQCSA-N 0 0 194.274 2.659 10 0 AFAERN Nc1cc(C2CC2)c2[nH]ccc2c1 217732830 344405564 /nfs/dbraw/zinc/40/55/64/344405564.db2.gz YETPLQSPXWCBCK-UHFFFAOYSA-N 0 0 172.231 2.628 10 0 AFAERN Cc1nc2c(s1)CC[C@@H]2C 217773982 344406291 /nfs/dbraw/zinc/40/62/91/344406291.db2.gz WALXCFRFOHBIBH-YFKPBYRVSA-N 0 0 153.250 2.501 10 0 AFAERN Cc1nc2c(s1)CC[C@H]2C 217774070 344406325 /nfs/dbraw/zinc/40/63/25/344406325.db2.gz WALXCFRFOHBIBH-RXMQYKEDSA-N 0 0 153.250 2.501 10 0 AFAERN Cc1ccc(Cl)c(F)c1C=O 217807646 344406648 /nfs/dbraw/zinc/40/66/48/344406648.db2.gz PTQQALAIJVMYCD-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN Cc1ccc(CCCO)c(Cl)c1 217830141 344406800 /nfs/dbraw/zinc/40/68/00/344406800.db2.gz LXPBWAJBZAZGMO-UHFFFAOYSA-N 0 0 184.666 2.573 10 0 AFAERN O=Cc1ccc(Cl)cc1CF 217982697 344408307 /nfs/dbraw/zinc/40/83/07/344408307.db2.gz PRBFFVRZEGBZNL-UHFFFAOYSA-N 0 0 172.586 2.622 10 0 AFAERN Cc1cc(Cl)cc2c(N)nccc12 218060273 344409136 /nfs/dbraw/zinc/40/91/36/344409136.db2.gz QTOTYPLNVVDOQU-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCC(C)(C)C(=O)C1(C)CC1 218052754 344409394 /nfs/dbraw/zinc/40/93/94/344409394.db2.gz AMQGQGTZWNRPOM-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN O=Cc1ccc(C2CC2)c(F)c1F 218235357 344410560 /nfs/dbraw/zinc/41/05/60/344410560.db2.gz DNIMNHMJVDLLQG-UHFFFAOYSA-N 0 0 182.169 2.655 10 0 AFAERN COc1c(C=O)ccc(C2CC2)c1F 218199450 344410666 /nfs/dbraw/zinc/41/06/66/344410666.db2.gz UTYVANGMLNSLBM-UHFFFAOYSA-N 0 0 194.205 2.524 10 0 AFAERN OCc1c(C2CC2)cnc2ccccc12 218324798 344411543 /nfs/dbraw/zinc/41/15/43/344411543.db2.gz VTAFMAYLCFIGIN-UHFFFAOYSA-N 0 0 199.253 2.605 10 0 AFAERN COc1cc(F)c(F)c(Cl)c1F 218338983 344411551 /nfs/dbraw/zinc/41/15/51/344411551.db2.gz DHAWOCCTKSWJQL-UHFFFAOYSA-N 0 0 196.555 2.766 10 0 AFAERN CCC(CC)c1nc(N)cs1 218375056 344412004 /nfs/dbraw/zinc/41/20/04/344412004.db2.gz ZQFWNOPOIYQYGS-UHFFFAOYSA-N 0 0 170.281 2.629 10 0 AFAERN CC(C)Oc1cc2[nH]ccc2cc1O 218489849 344412816 /nfs/dbraw/zinc/41/28/16/344412816.db2.gz XEICEZPBVGHOES-UHFFFAOYSA-N 0 0 191.230 2.661 10 0 AFAERN CC(C)[C@H](O)[C@@H]1CCC[C@@H](C)C1 218550276 344413685 /nfs/dbraw/zinc/41/36/85/344413685.db2.gz GWRAIQHQYRMAAC-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](O)[C@H]1CCC[C@@H](C)C1 218550357 344413742 /nfs/dbraw/zinc/41/37/42/344413742.db2.gz GWRAIQHQYRMAAC-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN C/C=C\C[C@@H]1CCCCC[C@@H]1O 218952685 344418288 /nfs/dbraw/zinc/41/82/88/344418288.db2.gz LQNCZEFJMZPPLY-UZAOFVRNSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1cnc(C)c(OC(F)(F)F)c1 218922606 344418397 /nfs/dbraw/zinc/41/83/97/344418397.db2.gz POGROGJIDYTMSZ-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Cc1nc([C@@H](C)c2ccccc2)no1 219036760 344419024 /nfs/dbraw/zinc/41/90/24/344419024.db2.gz NWDFIUDLNNFBGP-QMMMGPOBSA-N 0 0 188.230 2.530 10 0 AFAERN Cc1ccc(Cl)c2n[nH]cc12 219009717 344419052 /nfs/dbraw/zinc/41/90/52/344419052.db2.gz KIDKTOWCTGPQLP-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN C[C@@]1(Cc2ccc(Cl)cc2)CO1 219044905 344419114 /nfs/dbraw/zinc/41/91/14/344419114.db2.gz RXGQXNLSGVDTIO-SNVBAGLBSA-N 0 0 182.650 2.671 10 0 AFAERN Nc1cc(F)cc(CSC2CC2)c1 219009596 344419184 /nfs/dbraw/zinc/41/91/84/344419184.db2.gz NOXJONUPISPXAG-UHFFFAOYSA-N 0 0 197.278 2.804 10 0 AFAERN COc1c(C)ccc(C)c1Cl 219025342 344419218 /nfs/dbraw/zinc/41/92/18/344419218.db2.gz IZEMEZCGZHQXBY-UHFFFAOYSA-N 0 0 170.639 2.965 10 0 AFAERN Cc1nc([C@H](C)c2ccccc2)no1 219036802 344419220 /nfs/dbraw/zinc/41/92/20/344419220.db2.gz NWDFIUDLNNFBGP-MRVPVSSYSA-N 0 0 188.230 2.530 10 0 AFAERN C[C@]1(Cc2ccc(Cl)cc2)CO1 219044827 344419308 /nfs/dbraw/zinc/41/93/08/344419308.db2.gz RXGQXNLSGVDTIO-JTQLQIEISA-N 0 0 182.650 2.671 10 0 AFAERN O=Cc1ccc(F)cc1-c1ccco1 219146908 344420593 /nfs/dbraw/zinc/42/05/93/344420593.db2.gz FJDBLPHTECJIFI-UHFFFAOYSA-N 0 0 190.173 2.898 10 0 AFAERN Nc1cnc2c(c1Cl)CCCCC2 219190965 344420792 /nfs/dbraw/zinc/42/07/92/344420792.db2.gz LUWGXWRGTQTGNF-UHFFFAOYSA-N 0 0 196.681 2.586 10 0 AFAERN CCC[C@@H](O)c1sc(C)nc1C 219354862 344422881 /nfs/dbraw/zinc/42/28/81/344422881.db2.gz WYQPMQRTJZAGAX-MRVPVSSYSA-N 0 0 185.292 2.593 10 0 AFAERN CCC[C@H](O)c1sc(C)nc1C 219354935 344423158 /nfs/dbraw/zinc/42/31/58/344423158.db2.gz WYQPMQRTJZAGAX-QMMMGPOBSA-N 0 0 185.292 2.593 10 0 AFAERN C[C@@H]1CCc2ccccc2NC1 219351066 344423211 /nfs/dbraw/zinc/42/32/11/344423211.db2.gz PWNQHRYJEUOAID-SECBINFHSA-N 0 0 161.248 2.681 10 0 AFAERN C[C@H]1CCc2ccccc2NC1 219351132 344423237 /nfs/dbraw/zinc/42/32/37/344423237.db2.gz PWNQHRYJEUOAID-VIFPVBQESA-N 0 0 161.248 2.681 10 0 AFAERN COc1c(F)cc(Cl)c(F)c1F 219454655 344424085 /nfs/dbraw/zinc/42/40/85/344424085.db2.gz XXOLPJWHTRSSLC-UHFFFAOYSA-N 0 0 196.555 2.766 10 0 AFAERN COc1c(F)c(F)cc(Cl)c1F 219449537 344424156 /nfs/dbraw/zinc/42/41/56/344424156.db2.gz PZHFMCNOZDKUAT-UHFFFAOYSA-N 0 0 196.555 2.766 10 0 AFAERN CC1(CNc2nccs2)CCC1 219507562 344424672 /nfs/dbraw/zinc/42/46/72/344424672.db2.gz JGCNXKWWCYJGES-UHFFFAOYSA-N 0 0 182.292 2.745 10 0 AFAERN CC(=O)c1ccc(C(C)(C)C)c(N)c1 219468258 344424732 /nfs/dbraw/zinc/42/47/32/344424732.db2.gz BKYHMPASNBMUNB-UHFFFAOYSA-N 0 0 191.274 2.769 10 0 AFAERN Cc1nc(Cl)nc2sccc12 219689730 344426982 /nfs/dbraw/zinc/42/69/82/344426982.db2.gz OTNDZMMYCHCSGB-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN CC(C)c1ccc2[nH]c(CO)cc2c1 219695186 344427090 /nfs/dbraw/zinc/42/70/90/344427090.db2.gz YFBJUTIXLJOSCT-UHFFFAOYSA-N 0 0 189.258 2.784 10 0 AFAERN CC(=O)c1ccc(-c2ccoc2)cn1 219684460 344427099 /nfs/dbraw/zinc/42/70/99/344427099.db2.gz JXHLBGFMPSWLRY-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN Cc1cc(Cl)c2c(c1)[C@@H](O)[C@H](C)C2 219741678 344427418 /nfs/dbraw/zinc/42/74/18/344427418.db2.gz XRQOIAXUPJMKQU-HQJQHLMTSA-N 0 0 196.677 2.874 10 0 AFAERN CC(C)n1ccc2ccc(N)cc21 219750610 344427488 /nfs/dbraw/zinc/42/74/88/344427488.db2.gz VBOTXBDYNHMHGU-UHFFFAOYSA-N 0 0 174.247 2.804 10 0 AFAERN Cc1cc(Cl)c2c(c1)[C@H](O)[C@H](C)C2 219741808 344427500 /nfs/dbraw/zinc/42/75/00/344427500.db2.gz XRQOIAXUPJMKQU-RDDDGLTNSA-N 0 0 196.677 2.874 10 0 AFAERN Cc1cc(Cl)c2c(c1)[C@H](O)[C@@H](C)C2 219741751 344427579 /nfs/dbraw/zinc/42/75/79/344427579.db2.gz XRQOIAXUPJMKQU-WRWORJQWSA-N 0 0 196.677 2.874 10 0 AFAERN Cc1cc(Cl)c2c(c1)[C@@H](O)[C@@H](C)C2 219741613 344427624 /nfs/dbraw/zinc/42/76/24/344427624.db2.gz XRQOIAXUPJMKQU-CPCISQLKSA-N 0 0 196.677 2.874 10 0 AFAERN COc1c(F)c(F)cc(F)c1Cl 219762181 344427638 /nfs/dbraw/zinc/42/76/38/344427638.db2.gz NOVJKRBCMZXOPR-UHFFFAOYSA-N 0 0 196.555 2.766 10 0 AFAERN CC1(C)CCc2cccc(N)c2C1 219718972 344427707 /nfs/dbraw/zinc/42/77/07/344427707.db2.gz OHWNGAMUNGOZBG-UHFFFAOYSA-N 0 0 175.275 2.784 10 0 AFAERN CCOC(=O)C=C=C1CCCCC1 219968252 344429847 /nfs/dbraw/zinc/42/98/47/344429847.db2.gz GKMIHRSLUZEMOU-UHFFFAOYSA-N 0 0 180.247 2.595 10 0 AFAERN C[C@H]1c2c(N)cccc2CC1(C)C 220032212 344430001 /nfs/dbraw/zinc/43/00/01/344430001.db2.gz MFVIXMVLBLHHPX-QMMMGPOBSA-N 0 0 175.275 2.955 10 0 AFAERN C[C@@H]1c2c(N)cccc2CC1(C)C 220032145 344430032 /nfs/dbraw/zinc/43/00/32/344430032.db2.gz MFVIXMVLBLHHPX-MRVPVSSYSA-N 0 0 175.275 2.955 10 0 AFAERN COCCCc1ccc(Cl)cc1N 220051734 344430268 /nfs/dbraw/zinc/43/02/68/344430268.db2.gz YPPRIPFBDGUTDK-UHFFFAOYSA-N 0 0 199.681 2.501 10 0 AFAERN C/C=C/CNc1cccc(OC)c1 220118984 344430518 /nfs/dbraw/zinc/43/05/18/344430518.db2.gz DNHRKEGROHKKEX-ONEGZZNKSA-N 0 0 177.247 2.683 10 0 AFAERN C/C=C/CNc1ccccc1C 220133661 344430604 /nfs/dbraw/zinc/43/06/04/344430604.db2.gz KKJSGIBPDCLZES-ONEGZZNKSA-N 0 0 161.248 2.983 10 0 AFAERN C/C=C/CNc1ccc(F)cc1 220119368 344430645 /nfs/dbraw/zinc/43/06/45/344430645.db2.gz WZLMBWOCJQOYTI-NSCUHMNNSA-N 0 0 165.211 2.814 10 0 AFAERN C/C=C/CNc1cccc(F)c1 220120181 344430656 /nfs/dbraw/zinc/43/06/56/344430656.db2.gz JNENHNLELSRNMN-NSCUHMNNSA-N 0 0 165.211 2.814 10 0 AFAERN C/C=C/CNc1cc(F)cc(F)c1 220154890 344431146 /nfs/dbraw/zinc/43/11/46/344431146.db2.gz FLTVHMKNJQXRNM-NSCUHMNNSA-N 0 0 183.201 2.953 10 0 AFAERN COC/C=C/c1ccc(C)cc1 220211287 344431154 /nfs/dbraw/zinc/43/11/54/344431154.db2.gz OZEATKOZSYCWLL-ONEGZZNKSA-N 0 0 162.232 2.655 10 0 AFAERN CCC(=O)SC1CCCCC1 220185664 344431158 /nfs/dbraw/zinc/43/11/58/344431158.db2.gz QDXPFPPWQCFXOF-UHFFFAOYSA-N 0 0 172.293 2.989 10 0 AFAERN Nc1csc2c(F)cccc12 220256122 344431529 /nfs/dbraw/zinc/43/15/29/344431529.db2.gz YHFFLILSFCXQQZ-UHFFFAOYSA-N 0 0 167.208 2.623 10 0 AFAERN CCc1cc(O)c(C)cc1C 220320095 344431554 /nfs/dbraw/zinc/43/15/54/344431554.db2.gz PCZGXESECAJNFM-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN CC[C@H](O)C1C[C@H](C)C[C@@H](C)C1 220258103 344431563 /nfs/dbraw/zinc/43/15/63/344431563.db2.gz WMVLHYDPQOZPBH-KKZNHRDASA-N 0 0 170.296 2.830 10 0 AFAERN CCc1nc(Cl)nc2sccc12 220301326 344431695 /nfs/dbraw/zinc/43/16/95/344431695.db2.gz AIHLNTDGYJJYFI-UHFFFAOYSA-N 0 0 198.678 2.907 10 0 AFAERN COCCSCCC(C)(C)C 220404465 344432025 /nfs/dbraw/zinc/43/20/25/344432025.db2.gz AQRLLADRKUIIGM-UHFFFAOYSA-N 0 0 176.325 2.802 10 0 AFAERN CC1(C)CCc2c(N)cccc2C1 220506039 344432487 /nfs/dbraw/zinc/43/24/87/344432487.db2.gz XNYWUOHCXHMGNN-UHFFFAOYSA-N 0 0 175.275 2.784 10 0 AFAERN C[C@H]1SCC[C@H]1Nc1ccccc1 220449670 344432514 /nfs/dbraw/zinc/43/25/14/344432514.db2.gz UMYZAMVMHXEVHD-MWLCHTKSSA-N 0 0 193.315 2.993 10 0 AFAERN C[C@@H]1SCC[C@H]1Nc1ccccc1 220449598 344432640 /nfs/dbraw/zinc/43/26/40/344432640.db2.gz UMYZAMVMHXEVHD-GXSJLCMTSA-N 0 0 193.315 2.993 10 0 AFAERN C[C@H]1SCC[C@@H]1Nc1ccccc1 220449520 344432700 /nfs/dbraw/zinc/43/27/00/344432700.db2.gz UMYZAMVMHXEVHD-KOLCDFICSA-N 0 0 193.315 2.993 10 0 AFAERN C[C@@H]1SCC[C@@H]1Nc1ccccc1 220449449 344432878 /nfs/dbraw/zinc/43/28/78/344432878.db2.gz UMYZAMVMHXEVHD-ONGXEEELSA-N 0 0 193.315 2.993 10 0 AFAERN Cc1c(Oc2ccccc2)cnn1C 220651717 344433543 /nfs/dbraw/zinc/43/35/43/344433543.db2.gz AGEGMMCWHKOMLX-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN Cc1nccc(OC(F)(F)F)c1C 220688452 344434184 /nfs/dbraw/zinc/43/41/84/344434184.db2.gz TXGCMXNANICXQZ-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Fc1cc(NC2CC2)cc(F)c1F 220691269 344434336 /nfs/dbraw/zinc/43/43/36/344434336.db2.gz ZTCVQQQAAAIYOK-UHFFFAOYSA-N 0 0 187.164 2.678 10 0 AFAERN Cc1ccc(NC2CC2)cc1F 220690911 344434414 /nfs/dbraw/zinc/43/44/14/344434414.db2.gz JFWUDIZZYRAKAL-UHFFFAOYSA-N 0 0 165.211 2.708 10 0 AFAERN CCC[C@]1(O)CC[C@H](C)[C@@H](C)C1 220760071 344434732 /nfs/dbraw/zinc/43/47/32/344434732.db2.gz KJUBAPQKWCRYKX-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@]1(O)CC[C@@H](C)[C@@H](C)C1 220759954 344434829 /nfs/dbraw/zinc/43/48/29/344434829.db2.gz KJUBAPQKWCRYKX-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C(\C)C(=O)O[C@H](CC)C(C)C 220826377 344435767 /nfs/dbraw/zinc/43/57/67/344435767.db2.gz BZORYHJHTCAQMI-OLKPEBQYSA-N 0 0 184.279 2.930 10 0 AFAERN Oc1cc(Cl)ccc1OC(F)F 220812159 344435771 /nfs/dbraw/zinc/43/57/71/344435771.db2.gz NVFAUUQCOJCGBQ-UHFFFAOYSA-N 0 0 194.564 2.647 10 0 AFAERN C/C=C/C(=O)O[C@H](CC)C(C)C 220825810 344435864 /nfs/dbraw/zinc/43/58/64/344435864.db2.gz PVADUHPHJRAAIS-VPIOIWJLSA-N 0 0 170.252 2.540 10 0 AFAERN COc1cc(C)cc(SC)c1F 220816278 344435869 /nfs/dbraw/zinc/43/58/69/344435869.db2.gz IPBKUUUYONQHIX-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN CC(C)[C@H](O)[C@H]1CCCC[C@@H]1C 220857758 344435887 /nfs/dbraw/zinc/43/58/87/344435887.db2.gz JWDZEOGOIXLMMG-DCAQKATOSA-N 0 0 170.296 2.830 10 0 AFAERN C/C=C/C(=O)O[C@@H](CC)C(C)C 220825684 344435960 /nfs/dbraw/zinc/43/59/60/344435960.db2.gz PVADUHPHJRAAIS-IWGCBNPKSA-N 0 0 170.252 2.540 10 0 AFAERN CC(C)[C@H](O)[C@@H]1CCCC[C@@H]1C 220857690 344435967 /nfs/dbraw/zinc/43/59/67/344435967.db2.gz JWDZEOGOIXLMMG-AXFHLTTASA-N 0 0 170.296 2.830 10 0 AFAERN C/C=C(\C)C(=O)O[C@@H](CC)C(C)C 220826231 344435969 /nfs/dbraw/zinc/43/59/69/344435969.db2.gz BZORYHJHTCAQMI-ZKXNXJMVSA-N 0 0 184.279 2.930 10 0 AFAERN COC(=O)C1CCCCCCCC1 220890790 344436194 /nfs/dbraw/zinc/43/61/94/344436194.db2.gz RBOXZYJJTXDHAU-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN Cc1cccc(C[NH3+])c1OC(C)(C)C 220935472 344436978 /nfs/dbraw/zinc/43/69/78/344436978.db2.gz SEYCRWBDBRBVGO-UHFFFAOYSA-N 0 0 193.290 2.631 10 0 AFAERN CC[C@H](C)C(=O)NC(C)(CC)CC 221141959 344438561 /nfs/dbraw/zinc/43/85/61/344438561.db2.gz ADNLOGXUNIHNGS-VIFPVBQESA-N 0 0 185.311 2.727 10 0 AFAERN CC[C@@H](C)C(=O)NC(C)(CC)CC 221141896 344438656 /nfs/dbraw/zinc/43/86/56/344438656.db2.gz ADNLOGXUNIHNGS-SECBINFHSA-N 0 0 185.311 2.727 10 0 AFAERN Cc1c[nH]c2c(F)cc(F)cc12 221285519 344441103 /nfs/dbraw/zinc/44/11/03/344441103.db2.gz HODSCPPCLASYHQ-UHFFFAOYSA-N 0 0 167.158 2.755 10 0 AFAERN Cc1cc2c(ccn2C)cc1F 221299446 344441555 /nfs/dbraw/zinc/44/15/55/344441555.db2.gz UUWALPPCMIEPRW-UHFFFAOYSA-N 0 0 163.195 2.626 10 0 AFAERN COC(=O)Nc1ccccc1SC 221393876 344442966 /nfs/dbraw/zinc/44/29/66/344442966.db2.gz OKPPCHJEZFDKLF-UHFFFAOYSA-N 0 0 197.259 2.587 10 0 AFAERN Cc1ccc(C[C@@H](C)CO)c(Cl)c1 221455058 344443162 /nfs/dbraw/zinc/44/31/62/344443162.db2.gz HIKFHQRJGXSNLK-SECBINFHSA-N 0 0 198.693 2.819 10 0 AFAERN CC[C@@H]1NC(=O)c2cc(Cl)ccc21 221428815 344443192 /nfs/dbraw/zinc/44/31/92/344443192.db2.gz UXUNQRZDWFBCOS-VIFPVBQESA-N 0 0 195.649 2.535 10 0 AFAERN CC[C@@H]1NC(=O)c2ccc(Cl)cc21 221428951 344443305 /nfs/dbraw/zinc/44/33/05/344443305.db2.gz YLPNWMZFAPKBTQ-VIFPVBQESA-N 0 0 195.649 2.535 10 0 AFAERN Cc1ccc(C[C@H](C)CO)c(Cl)c1 221455113 344443361 /nfs/dbraw/zinc/44/33/61/344443361.db2.gz HIKFHQRJGXSNLK-VIFPVBQESA-N 0 0 198.693 2.819 10 0 AFAERN CC[C@H]1NC(=O)c2cc(Cl)ccc21 221428769 344443405 /nfs/dbraw/zinc/44/34/05/344443405.db2.gz UXUNQRZDWFBCOS-SECBINFHSA-N 0 0 195.649 2.535 10 0 AFAERN CC[C@H]1NC(=O)c2ccc(Cl)cc21 221428900 344443446 /nfs/dbraw/zinc/44/34/46/344443446.db2.gz YLPNWMZFAPKBTQ-SECBINFHSA-N 0 0 195.649 2.535 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 221564863 344444394 /nfs/dbraw/zinc/44/43/94/344444394.db2.gz AYTYUMGDXCRNMC-KXUCPTDWSA-N 0 0 199.294 2.557 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 221564971 344444508 /nfs/dbraw/zinc/44/45/08/344444508.db2.gz AYTYUMGDXCRNMC-LPEHRKFASA-N 0 0 199.294 2.557 10 0 AFAERN O=C1CC=Cc2ccccc2CC1 221682410 344444984 /nfs/dbraw/zinc/44/49/84/344444984.db2.gz RUBRYZZAQCNWNX-UHFFFAOYSA-N 0 0 172.227 2.605 10 0 AFAERN CCC[C@@H]1CC[C@H](O)[C@@H](C)C1 221620812 344445019 /nfs/dbraw/zinc/44/50/19/344445019.db2.gz INOPXYFZMODIBL-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN COc1cc(F)c(C)c(Cl)c1 221737226 344445544 /nfs/dbraw/zinc/44/55/44/344445544.db2.gz RMHZDEZBCUAUOW-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN C/C=C/C(=O)OCc1ccc(C)cc1 221860018 344446444 /nfs/dbraw/zinc/44/64/44/344446444.db2.gz HRBFOJZKFCYFDR-ONEGZZNKSA-N 0 0 190.242 2.614 10 0 AFAERN O=Cc1ccccc1-c1cncs1 221897289 344447026 /nfs/dbraw/zinc/44/70/26/344447026.db2.gz OIACXIPUBAZZSV-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN Cn1nccc1CCC1CCCCC1 221929613 344447184 /nfs/dbraw/zinc/44/71/84/344447184.db2.gz DAYUXBJXVBEJNM-UHFFFAOYSA-N 0 0 192.306 2.933 10 0 AFAERN CCc1ccc(F)c(OC)c1F 221896233 344447269 /nfs/dbraw/zinc/44/72/69/344447269.db2.gz PALUFXUCCLDFIU-UHFFFAOYSA-N 0 0 172.174 2.536 10 0 AFAERN CNc1cccc(-c2cscn2)c1 221918968 344447323 /nfs/dbraw/zinc/44/73/23/344447323.db2.gz JVEFARAPRKAECO-UHFFFAOYSA-N 0 0 190.271 2.852 10 0 AFAERN CCS[C@@H]1CC[C@H](C)C1 221948600 344447765 /nfs/dbraw/zinc/44/77/65/344447765.db2.gz JMCAPGSQXOWTOH-JGVFFNPUSA-N 0 0 144.283 2.928 10 0 AFAERN CCS[C@@H]1CC[C@@H](C)C1 221948706 344447789 /nfs/dbraw/zinc/44/77/89/344447789.db2.gz JMCAPGSQXOWTOH-HTQZYQBOSA-N 0 0 144.283 2.928 10 0 AFAERN CCS[C@H]1CC[C@@H](C)C1 221948756 344447796 /nfs/dbraw/zinc/44/77/96/344447796.db2.gz JMCAPGSQXOWTOH-SFYZADRCSA-N 0 0 144.283 2.928 10 0 AFAERN CCS[C@H]1CC[C@H](C)C1 221948654 344447926 /nfs/dbraw/zinc/44/79/26/344447926.db2.gz JMCAPGSQXOWTOH-YUMQZZPRSA-N 0 0 144.283 2.928 10 0 AFAERN CCC[C@@H](C)c1cnc(N)s1 222192538 344449640 /nfs/dbraw/zinc/44/96/40/344449640.db2.gz KBMUUVZEEMILAX-ZCFIWIBFSA-N 0 0 170.281 2.629 10 0 AFAERN CCC[C@H](C)c1cnc(N)s1 222192599 344449534 /nfs/dbraw/zinc/44/95/34/344449534.db2.gz KBMUUVZEEMILAX-LURJTMIESA-N 0 0 170.281 2.629 10 0 AFAERN C[C@H](F)c1ccnc(Cl)c1 222207536 344449672 /nfs/dbraw/zinc/44/96/72/344449672.db2.gz WFEUAWAEUAGPNH-YFKPBYRVSA-N 0 0 159.591 2.766 10 0 AFAERN C[C@@H](F)c1ccnc(Cl)c1 222207587 344449808 /nfs/dbraw/zinc/44/98/08/344449808.db2.gz WFEUAWAEUAGPNH-RXMQYKEDSA-N 0 0 159.591 2.766 10 0 AFAERN Cc1ccc(C(=O)C(C)(F)F)cc1 222240855 344450724 /nfs/dbraw/zinc/45/07/24/344450724.db2.gz HLRYGIJDRMWGJY-UHFFFAOYSA-N 0 0 184.185 2.833 10 0 AFAERN Cc1ncc(C2CCC(=O)CC2)s1 222232355 344450826 /nfs/dbraw/zinc/45/08/26/344450826.db2.gz LOPOAXYXCFJPGR-UHFFFAOYSA-N 0 0 195.287 2.678 10 0 AFAERN CC(C)[C@]1(O)CC[C@@H](C)C[C@@H]1C 222333444 344451078 /nfs/dbraw/zinc/45/10/78/344451078.db2.gz VABPCXAYGKMLOV-OUAUKWLOSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@@]1(O)CC[C@@H](C)C[C@@H]1C 222333395 344451203 /nfs/dbraw/zinc/45/12/03/344451203.db2.gz VABPCXAYGKMLOV-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@]1(O)CCC[C@@H](C)[C@@H]1C 222322796 344451233 /nfs/dbraw/zinc/45/12/33/344451233.db2.gz CUQUXRVDKVFRCR-OUAUKWLOSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@@]1(O)CCC[C@@H](C)[C@@H]1C 222322749 344451264 /nfs/dbraw/zinc/45/12/64/344451264.db2.gz CUQUXRVDKVFRCR-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@@]1(O)C[C@H](C)CC[C@@H]1C 222355448 344451430 /nfs/dbraw/zinc/45/14/30/344451430.db2.gz ZCJPEEJNMLPVLP-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@]1(O)c1ccoc1 222348638 344451474 /nfs/dbraw/zinc/45/14/74/344451474.db2.gz VGWKNSBMHIOXHJ-JFGNBEQYSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@@](O)(c2ccoc2)C1 222348527 344451563 /nfs/dbraw/zinc/45/15/63/344451563.db2.gz VGWKNSBMHIOXHJ-CKYFFXLPSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@@H](CC2CC2)C1 222411162 344451799 /nfs/dbraw/zinc/45/17/99/344451799.db2.gz RJOHVEIMUVSHIP-IEBDPFPHSA-N 0 0 168.280 2.584 10 0 AFAERN CCOc1c(C)cc(C)cc1F 222393577 344451827 /nfs/dbraw/zinc/45/18/27/344451827.db2.gz BEWHEXJLTITHPW-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@@]2(CC(=O)CCO2)C1 222403593 344451884 /nfs/dbraw/zinc/45/18/84/344451884.db2.gz PDGRDLYYIBNXKP-FOGDFJRCSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1C[C@H](C)CC[C@@]1(N)C(F)(F)F 222401416 344451924 /nfs/dbraw/zinc/45/19/24/344451924.db2.gz QMANYGVEDKUGLG-CSMHCCOUSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@@H]1CC[C@@H](O)[C@@H](CC2CC2)C1 222411058 344451933 /nfs/dbraw/zinc/45/19/33/344451933.db2.gz RJOHVEIMUVSHIP-FBIMIBRVSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@]12CC(=O)CCO2 222403707 344451945 /nfs/dbraw/zinc/45/19/45/344451945.db2.gz PDGRDLYYIBNXKP-SCVCMEIPSA-N 0 0 196.290 2.561 10 0 AFAERN CCCCC[C@@H]1OC(=O)C=C[C@@H]1C 222398418 344451954 /nfs/dbraw/zinc/45/19/54/344451954.db2.gz VVZYSDOLNQXTGD-UWVGGRQHSA-N 0 0 182.263 2.684 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@@](N)(C(F)(F)F)C1 222401634 344451990 /nfs/dbraw/zinc/45/19/90/344451990.db2.gz KIZSUQBGINOKLR-BWZBUEFSSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@]1(N)C(F)(F)F 222401734 344452016 /nfs/dbraw/zinc/45/20/16/344452016.db2.gz KIZSUQBGINOKLR-GJMOJQLCSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@H]1C[C@H](C)CC[C@]1(N)C(F)(F)F 222401532 344452047 /nfs/dbraw/zinc/45/20/47/344452047.db2.gz QMANYGVEDKUGLG-GJMOJQLCSA-N 0 0 195.228 2.702 10 0 AFAERN CC[C@H](O)C[C@H]1CCC[C@@H](C)C1 222400380 344452107 /nfs/dbraw/zinc/45/21/07/344452107.db2.gz VFLTUSIAJMOZFO-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1CC[C@@H](O)[C@@H](CC(F)F)C1 222431530 344452286 /nfs/dbraw/zinc/45/22/86/344452286.db2.gz PTTXNRCSLBGGSQ-IWSPIJDZSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@@H]1CC[C@H](O)[C@@H](CC(F)F)C1 222431642 344452299 /nfs/dbraw/zinc/45/22/99/344452299.db2.gz PTTXNRCSLBGGSQ-HLTSFMKQSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@@H]1CC[C@H](O)[C@@H](C(C)C)C1 222426946 344452335 /nfs/dbraw/zinc/45/23/35/344452335.db2.gz QSSJFAQSUHWABD-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc2c(c1)CC(C)(C)C(=O)N2 222428820 344452546 /nfs/dbraw/zinc/45/25/46/344452546.db2.gz BCWYLUIUOFXEBS-UHFFFAOYSA-N 0 0 189.258 2.516 10 0 AFAERN CC[C@@H]1CC[C@@H](O)[C@@H](C(C)C)C1 222426541 344452674 /nfs/dbraw/zinc/45/26/74/344452674.db2.gz QSSJFAQSUHWABD-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CCC[C@@H](C[C@@H](O)C2CC2)C1 222502879 344452836 /nfs/dbraw/zinc/45/28/36/344452836.db2.gz LQJXSRBFZLNPHP-CKYFFXLPSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1CCC[C@H](C[C@@H](O)C2CC2)C1 222503011 344453291 /nfs/dbraw/zinc/45/32/91/344453291.db2.gz LQJXSRBFZLNPHP-JFGNBEQYSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCC[C@@H](C)C1 222594801 344453397 /nfs/dbraw/zinc/45/33/97/344453397.db2.gz LRHMSPXRDWFYHY-OUAUKWLOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1CC[C@](O)([C@H](C)CC)C1 222597433 344453577 /nfs/dbraw/zinc/45/35/77/344453577.db2.gz HLLPGIVGMLGLGM-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@]1(O)CCC[C@@H](C)C1 222594952 344453629 /nfs/dbraw/zinc/45/36/29/344453629.db2.gz LRHMSPXRDWFYHY-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@@H]1CC=CCC1 222596024 344453655 /nfs/dbraw/zinc/45/36/55/344453655.db2.gz GEUYACLGQYTVOO-HBNTYKKESA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@@H]1CC[C@@](O)([C@H](C)CC)C1 222597502 344453669 /nfs/dbraw/zinc/45/36/69/344453669.db2.gz HLLPGIVGMLGLGM-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@H](O)[C@@H]1CC=CCC1 222596146 344453709 /nfs/dbraw/zinc/45/37/09/344453709.db2.gz GEUYACLGQYTVOO-AXFHLTTASA-N 0 0 168.280 2.750 10 0 AFAERN C=Cc1ccc(Cl)cc1N 222817439 344454361 /nfs/dbraw/zinc/45/43/61/344454361.db2.gz YTWNNOFNXZASFA-UHFFFAOYSA-N 0 0 153.612 2.565 10 0 AFAERN CC[C@H](C)Nc1cc(Cl)ncc1N 222716259 344454373 /nfs/dbraw/zinc/45/43/73/344454373.db2.gz KFQJCYUQUOFPAL-LURJTMIESA-N 0 0 199.685 2.528 10 0 AFAERN CC(C)(C)Nc1cc(Cl)ncc1N 222753381 344454508 /nfs/dbraw/zinc/45/45/08/344454508.db2.gz DYADWEMDJIRSDK-UHFFFAOYSA-N 0 0 199.685 2.528 10 0 AFAERN CC[C@@H](C)Nc1cc(Cl)ncc1N 222716205 344454586 /nfs/dbraw/zinc/45/45/86/344454586.db2.gz KFQJCYUQUOFPAL-ZCFIWIBFSA-N 0 0 199.685 2.528 10 0 AFAERN CC1=CCC=C(CCCCO)C1 222979562 344455520 /nfs/dbraw/zinc/45/55/20/344455520.db2.gz XMKXDANWOJMKGK-UHFFFAOYSA-N 0 0 166.264 2.816 10 0 AFAERN CC1=CCC(CCCCO)=CC1 222979475 344455672 /nfs/dbraw/zinc/45/56/72/344455672.db2.gz DMIGZTMSXIFHPP-UHFFFAOYSA-N 0 0 166.264 2.816 10 0 AFAERN C[C@H](Oc1cccc(C=O)c1)C1CC1 222956108 344455682 /nfs/dbraw/zinc/45/56/82/344455682.db2.gz FLHHIMRDNKQBSY-VIFPVBQESA-N 0 0 190.242 2.676 10 0 AFAERN CC[C@]1(C)[C@H](O)C[C@@H]1C(C)(C)C 225046974 344475514 /nfs/dbraw/zinc/47/55/14/344475514.db2.gz NHYKQXHXBOQOHL-KKZNHRDASA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H]1C=Cc2ccccc2[C@H]1CO 223121109 344457687 /nfs/dbraw/zinc/45/76/87/344457687.db2.gz QIOPAQSTDQLKMK-MFKMUULPSA-N 0 0 188.270 2.816 10 0 AFAERN COc1ccc(Cl)c(C)c1F 223276319 344458555 /nfs/dbraw/zinc/45/85/55/344458555.db2.gz KJIQVDCKCQPLIZ-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN Oc1cc(F)c2ccccc2c1 223295307 344459360 /nfs/dbraw/zinc/45/93/60/344459360.db2.gz LQYITVIOKQRNKY-UHFFFAOYSA-N 0 0 162.163 2.685 10 0 AFAERN CC(C)C(=O)[C@]12CCCC[C@H]1C2 223596933 344460699 /nfs/dbraw/zinc/46/06/99/344460699.db2.gz QFFHGORIFKXPBD-ONGXEEELSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)C(=O)[C@@]12CCCC[C@@H]1C2 223596784 344460748 /nfs/dbraw/zinc/46/07/48/344460748.db2.gz QFFHGORIFKXPBD-MWLCHTKSSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)C(=O)C1CC(C)(C)C1 223628939 344460804 /nfs/dbraw/zinc/46/08/04/344460804.db2.gz CAIGOHIBFQOBQG-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC/C=C\C1=C(C)C(=O)OC1 223653382 344461217 /nfs/dbraw/zinc/46/12/17/344461217.db2.gz PCVAKBDFIAALGO-SREVYHEPSA-N 0 0 180.247 2.606 10 0 AFAERN CC(C)c1cccc(=S)[nH]1 223671677 344461468 /nfs/dbraw/zinc/46/14/68/344461468.db2.gz HPKHSOQDGAFGAO-UHFFFAOYSA-N 0 0 153.250 2.868 10 0 AFAERN CCC1(C(=O)C(C)(C)C)CC1 223640340 344461525 /nfs/dbraw/zinc/46/15/25/344461525.db2.gz LMVKMVYTSBMDMH-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CSc1cc(F)c(C)cc1F 223740195 344462519 /nfs/dbraw/zinc/46/25/19/344462519.db2.gz NCNWWEQKYYZAMM-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN Cc1ccc(C2(O)CCC2)cc1F 223733815 344462772 /nfs/dbraw/zinc/46/27/72/344462772.db2.gz BKDQRKWCMWPBMO-UHFFFAOYSA-N 0 0 180.222 2.506 10 0 AFAERN Cc1ccc(C(=O)[C@H]2C[C@@H]2C)cc1F 223772590 344463122 /nfs/dbraw/zinc/46/31/22/344463122.db2.gz NLSZZSKHXBOFIG-WPRPVWTQSA-N 0 0 192.233 2.973 10 0 AFAERN Cc1ccc(C(=O)[C@H]2C[C@H]2C)cc1F 223772687 344463192 /nfs/dbraw/zinc/46/31/92/344463192.db2.gz NLSZZSKHXBOFIG-SCZZXKLOSA-N 0 0 192.233 2.973 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2C[C@@H]2C)cc1F 223772535 344463279 /nfs/dbraw/zinc/46/32/79/344463279.db2.gz NLSZZSKHXBOFIG-WCBMZHEXSA-N 0 0 192.233 2.973 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2C[C@H]2C)cc1F 223772642 344463365 /nfs/dbraw/zinc/46/33/65/344463365.db2.gz NLSZZSKHXBOFIG-PSASIEDQSA-N 0 0 192.233 2.973 10 0 AFAERN CC(=O)C1CCC2(CC1)CC2 223795457 344463816 /nfs/dbraw/zinc/46/38/16/344463816.db2.gz SKKNDSNTENNBFP-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN C#C/C=C/c1ccc(Cl)cc1 223835711 344463995 /nfs/dbraw/zinc/46/39/95/344463995.db2.gz AKQXKFIZOSZDAK-ONEGZZNKSA-N 0 0 162.619 2.986 10 0 AFAERN COc1ccc(CSC)cc1F 223877933 344464459 /nfs/dbraw/zinc/46/44/59/344464459.db2.gz ANQYFKMUEKQJHF-UHFFFAOYSA-N 0 0 186.251 2.697 10 0 AFAERN COc1cc(F)cc2ccccc12 223874972 344464497 /nfs/dbraw/zinc/46/44/97/344464497.db2.gz MJVDAMKWVKWAGZ-UHFFFAOYSA-N 0 0 176.190 2.988 10 0 AFAERN CCOC1(C[Si](C)(C)C)CC1 223948017 344464874 /nfs/dbraw/zinc/46/48/74/344464874.db2.gz QHOSNGZBMRTMNT-UHFFFAOYSA-N 0 0 172.344 2.894 10 0 AFAERN CC1(C)C=C(CO)C(C)(C)CC1 224028042 344465134 /nfs/dbraw/zinc/46/51/34/344465134.db2.gz LSHVMGVCBVETJE-UHFFFAOYSA-N 0 0 168.280 2.751 10 0 AFAERN CC[C@H](O)[C@H]1CCCC[C@H]1CC 224029404 344465226 /nfs/dbraw/zinc/46/52/26/344465226.db2.gz XMIWUFFDIJVRMC-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)[C@H]1CCCC[C@@H]1CC 224029463 344465375 /nfs/dbraw/zinc/46/53/75/344465375.db2.gz XMIWUFFDIJVRMC-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)[C@@H]1CCCC[C@@H]1CC 224029570 344465491 /nfs/dbraw/zinc/46/54/91/344465491.db2.gz XMIWUFFDIJVRMC-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN C=C=C(CCCC)[C@@H](O)CC 224092922 344465691 /nfs/dbraw/zinc/46/56/91/344465691.db2.gz HSOMOMVJQDZIRE-JTQLQIEISA-N 0 0 154.253 2.659 10 0 AFAERN C=C=C(CCCC)[C@H](O)CC 224092878 344465866 /nfs/dbraw/zinc/46/58/66/344465866.db2.gz HSOMOMVJQDZIRE-SNVBAGLBSA-N 0 0 154.253 2.659 10 0 AFAERN COC(=O)/C=C(\C)C1CCCCC1 224145309 344466433 /nfs/dbraw/zinc/46/64/33/344466433.db2.gz RJARUBCJJSVUBI-CMDGGOBGSA-N 0 0 182.263 2.686 10 0 AFAERN CCc1cc(F)c(F)cc1C 224207791 344467157 /nfs/dbraw/zinc/46/71/57/344467157.db2.gz XCBQYZMZVZDOSB-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN CC(C)(/C=C/c1ccccc1)CO 224225016 344467571 /nfs/dbraw/zinc/46/75/71/344467571.db2.gz UVHMQPSWDYAKNZ-CMDGGOBGSA-N 0 0 176.259 2.718 10 0 AFAERN CCC[C@H]1C(=O)Nc2ccc(F)cc21 224236529 344467536 /nfs/dbraw/zinc/46/75/36/344467536.db2.gz BRIIKCGZXVSHDL-MRVPVSSYSA-N 0 0 193.221 2.662 10 0 AFAERN CCC[C@@H]1C(=O)Nc2ccc(F)cc21 224236574 344467593 /nfs/dbraw/zinc/46/75/93/344467593.db2.gz BRIIKCGZXVSHDL-QMMMGPOBSA-N 0 0 193.221 2.662 10 0 AFAERN CCC(=O)[C@]12CCCC[C@H]1C2 224317792 344468023 /nfs/dbraw/zinc/46/80/23/344468023.db2.gz CGAFVPMDUHUXGL-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN CCC(=O)[C@@]12CCCC[C@@H]1C2 224317633 344468089 /nfs/dbraw/zinc/46/80/89/344468089.db2.gz CGAFVPMDUHUXGL-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](O)C1=CCCCCC1 224370162 344468464 /nfs/dbraw/zinc/46/84/64/344468464.db2.gz YLBIGJYJACQQPB-USWWRNFRSA-N 0 0 180.291 2.894 10 0 AFAERN CSCc1cc(C)nc(Cl)c1 224381829 344468540 /nfs/dbraw/zinc/46/85/40/344468540.db2.gz GTGXJYOIJRLYNF-UHFFFAOYSA-N 0 0 187.695 2.906 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](O)C1=CCCCCC1 224370276 344468575 /nfs/dbraw/zinc/46/85/75/344468575.db2.gz YLBIGJYJACQQPB-JLLWLGSASA-N 0 0 180.291 2.894 10 0 AFAERN c1cc(NC[C@@H]2CCSC2)cs1 224441233 344468949 /nfs/dbraw/zinc/46/89/49/344468949.db2.gz LMQKRKYTOHOFCE-QMMMGPOBSA-N 0 0 199.344 2.913 10 0 AFAERN COc1ccc2sc(N)c(C)c2c1 224405286 344468964 /nfs/dbraw/zinc/46/89/64/344468964.db2.gz QGULMIUXOHVQDF-UHFFFAOYSA-N 0 0 193.271 2.801 10 0 AFAERN COc1nccc2c1C1CCC2CC1 224441354 344469026 /nfs/dbraw/zinc/46/90/26/344469026.db2.gz YIKGEJYPRXGZQX-UHFFFAOYSA-N 0 0 189.258 2.845 10 0 AFAERN c1cc(NC[C@H]2CCSC2)cs1 224441279 344469266 /nfs/dbraw/zinc/46/92/66/344469266.db2.gz LMQKRKYTOHOFCE-MRVPVSSYSA-N 0 0 199.344 2.913 10 0 AFAERN CC(=O)c1ncc(C(C)(C)C)s1 224541031 344470152 /nfs/dbraw/zinc/47/01/52/344470152.db2.gz SZKODHRTGRGPAT-UHFFFAOYSA-N 0 0 183.276 2.643 10 0 AFAERN CCO[C@@H](C)CCc1ccc(O)cc1 224597241 344470922 /nfs/dbraw/zinc/47/09/22/344470922.db2.gz HDOIFUDCRPJNEM-JTQLQIEISA-N 0 0 194.274 2.750 10 0 AFAERN CCO[C@H](C)CCc1ccc(O)cc1 224597284 344470963 /nfs/dbraw/zinc/47/09/63/344470963.db2.gz HDOIFUDCRPJNEM-SNVBAGLBSA-N 0 0 194.274 2.750 10 0 AFAERN CSc1cc(F)cc(F)c1F 224669216 344471768 /nfs/dbraw/zinc/47/17/68/344471768.db2.gz YZWLBHUFJGJYCZ-UHFFFAOYSA-N 0 0 178.178 2.826 10 0 AFAERN CC1([C@@H]2CC(=O)CCO2)CCCCC1 224729880 344472335 /nfs/dbraw/zinc/47/23/35/344472335.db2.gz IBYABAXKTVDBQV-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CC1([C@H]2CC(=O)CCO2)CCCCC1 224729915 344472684 /nfs/dbraw/zinc/47/26/84/344472684.db2.gz IBYABAXKTVDBQV-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN Nc1ccc(-c2cscn2)cc1F 224833544 344473396 /nfs/dbraw/zinc/47/33/96/344473396.db2.gz BDERLFPBYOVRFG-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CCc1cc(C(C)C)nc(Cl)n1 224832211 344473413 /nfs/dbraw/zinc/47/34/13/344473413.db2.gz SCHPVZIANZITQQ-UHFFFAOYSA-N 0 0 184.670 2.816 10 0 AFAERN CCCCn1nccc1CCC 224793243 344473598 /nfs/dbraw/zinc/47/35/98/344473598.db2.gz IGPRRGFXCFMWSF-UHFFFAOYSA-N 0 0 166.268 2.636 10 0 AFAERN C/C=C1\CN1[C@@H](C)c1ccccc1 224817977 344473661 /nfs/dbraw/zinc/47/36/61/344473661.db2.gz RURQEJZZIGVQDH-MQQLHJDSSA-N 0 0 173.259 2.967 10 0 AFAERN CC(=O)CC1(C)CCCC1 224869957 344473918 /nfs/dbraw/zinc/47/39/18/344473918.db2.gz NIFPOKXANMRNKC-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN COc1ccc(C)cc1OC(F)F 224921146 344474288 /nfs/dbraw/zinc/47/42/88/344474288.db2.gz QJFFFQIZHYFGNG-UHFFFAOYSA-N 0 0 188.173 2.605 10 0 AFAERN CC[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H]1C 224995828 344475539 /nfs/dbraw/zinc/47/55/39/344475539.db2.gz IGIMCYOGAUDTBN-ZRUFSTJUSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]1O 225026076 344475571 /nfs/dbraw/zinc/47/55/71/344475571.db2.gz LNBINUWMFQVFAE-QJPTWQEYSA-N 0 0 194.249 2.700 10 0 AFAERN CC[C@H]1[C@@H](c2ccc(C)cc2)C[C@H]1O 225017511 344475618 /nfs/dbraw/zinc/47/56/18/344475618.db2.gz TZSSUHQYXYVQGB-YNEHKIRRSA-N 0 0 190.286 2.869 10 0 AFAERN CC(C)CC[C@@H]1CC[C@@H](O)[C@@H]1C 224986374 344475794 /nfs/dbraw/zinc/47/57/94/344475794.db2.gz SXWPBTQPDRPIKN-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](C)C[C@]1(O)CC[C@@H](C)C1 226697115 344510485 /nfs/dbraw/zinc/51/04/85/344510485.db2.gz NCBTZERGOATRIV-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)CCCc2c(N)cccc21 225093475 344476273 /nfs/dbraw/zinc/47/62/73/344476273.db2.gz LNIAZIHZIDMSHK-UHFFFAOYSA-N 0 0 175.275 2.883 10 0 AFAERN CC(C)n1sc(=O)c2ccccc21 225052128 344476376 /nfs/dbraw/zinc/47/63/76/344476376.db2.gz CLBMICNPNGYXCW-UHFFFAOYSA-N 0 0 193.271 2.644 10 0 AFAERN Cc1cc(C)c(OC(F)(F)F)cn1 225112537 344476850 /nfs/dbraw/zinc/47/68/50/344476850.db2.gz WWVVNYAVXKLCRL-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Cc1cc(OC(F)(F)F)cnc1C 225112596 344476978 /nfs/dbraw/zinc/47/69/78/344476978.db2.gz MQIWBEXAQUEQAX-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN CC[C@@H]1C(=O)[C@@H]2CCCCC[C@@H]12 225147140 344477216 /nfs/dbraw/zinc/47/72/16/344477216.db2.gz ROPHAVTVBAOACC-LPEHRKFASA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1C(=O)[C@@H]2CCCCCC[C@@H]12 225150119 344477290 /nfs/dbraw/zinc/47/72/90/344477290.db2.gz MRCKDPJJXAYKCU-LPEHRKFASA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1C(=O)[C@@H]2CCc3ccccc3[C@@H]12 225150193 344477525 /nfs/dbraw/zinc/47/75/25/344477525.db2.gz PSEPUYYGNJLEIV-XXILOJSOSA-N 0 0 186.254 2.551 10 0 AFAERN CC[C@]1(C)C(=O)[C@@H]2CCCC[C@@H]21 225151648 344477562 /nfs/dbraw/zinc/47/75/62/344477562.db2.gz BZKBWJAQVQBUNA-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN Clc1cc(-c2cc[nH]n2)cs1 225167558 344478171 /nfs/dbraw/zinc/47/81/71/344478171.db2.gz PSHPVIBFCPIPIU-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN CCOC(=O)c1cc(CC)c(CC)o1 225513584 344482203 /nfs/dbraw/zinc/48/22/03/344482203.db2.gz RRDZKLJIECHCJG-UHFFFAOYSA-N 0 0 196.246 2.581 10 0 AFAERN CC(C)OC(=O)[C@H]1CC=CC[C@H]1C 225524012 344482634 /nfs/dbraw/zinc/48/26/34/344482634.db2.gz ICIATGJZPRPISO-ZJUUUORDSA-N 0 0 182.263 2.540 10 0 AFAERN CC(C)OC(=O)[C@@H]1CC=CC[C@H]1C 225524079 344482770 /nfs/dbraw/zinc/48/27/70/344482770.db2.gz ICIATGJZPRPISO-NXEZZACHSA-N 0 0 182.263 2.540 10 0 AFAERN CC[C@@H]1CC[C@@H]([C@@H](O)C2CCC2)C1 225528891 344482971 /nfs/dbraw/zinc/48/29/71/344482971.db2.gz ZLFCMCQTALFRGB-JLLWLGSASA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@]1(O)CC1CC1 225524415 344483061 /nfs/dbraw/zinc/48/30/61/344483061.db2.gz RLMMYYUPRRTAFL-SCVCMEIPSA-N 0 0 182.307 2.974 10 0 AFAERN CCCc1c(-c2ccccc2)c1=O 225528615 344483067 /nfs/dbraw/zinc/48/30/67/344483067.db2.gz VIEXHJIZAANRBO-UHFFFAOYSA-N 0 0 172.227 2.542 10 0 AFAERN CC[C@@H]1CC[C@H]([C@@H](O)C2CCC2)C1 225528954 344483231 /nfs/dbraw/zinc/48/32/31/344483231.db2.gz ZLFCMCQTALFRGB-USWWRNFRSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)OC(=O)[C@H]1CC=CC[C@@H]1C 225524042 344483227 /nfs/dbraw/zinc/48/32/27/344483227.db2.gz ICIATGJZPRPISO-UWVGGRQHSA-N 0 0 182.263 2.540 10 0 AFAERN CC(C)=CCNc1nccs1 225828884 344488143 /nfs/dbraw/zinc/48/81/43/344488143.db2.gz BIZSNDOKMUUNIA-UHFFFAOYSA-N 0 0 168.265 2.521 10 0 AFAERN CCc1c(C)cc(F)cc1F 226025833 344490814 /nfs/dbraw/zinc/49/08/14/344490814.db2.gz UGYHMZRISHWVBD-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1[C@@H](O)C(F)F 226078469 344492064 /nfs/dbraw/zinc/49/20/64/344492064.db2.gz SGYQLZDRPNIYAS-HRDYMLBCSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@H]1CC([C@@H](O)C(F)F)C[C@H](C)C1 226077131 344492087 /nfs/dbraw/zinc/49/20/87/344492087.db2.gz OTKZRPHETLBKDA-ZXFLCMHBSA-N 0 0 192.249 2.685 10 0 AFAERN CC[C@@H]1CCCC[C@H]1[C@@H](O)C(F)F 226078491 344492102 /nfs/dbraw/zinc/49/21/02/344492102.db2.gz SGYQLZDRPNIYAS-IWSPIJDZSA-N 0 0 192.249 2.829 10 0 AFAERN Cc1cc2c(C)ccc(F)c2[nH]1 226067105 344492108 /nfs/dbraw/zinc/49/21/08/344492108.db2.gz MNAVJRDDXIJCAT-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN c1ccc(Sc2cn[nH]c2)cc1 226101408 344492497 /nfs/dbraw/zinc/49/24/97/344492497.db2.gz IATJAVKWUQDTBU-UHFFFAOYSA-N 0 0 176.244 2.561 10 0 AFAERN CC[C@H](C)C[C@@]1(C)CC[C@@H](O)C1 226179582 344493755 /nfs/dbraw/zinc/49/37/55/344493755.db2.gz DTBUUAZBYBZCKG-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(F)cc1NC1CC1 226167481 344493790 /nfs/dbraw/zinc/49/37/90/344493790.db2.gz XGDDBEDCCLMPAA-UHFFFAOYSA-N 0 0 165.211 2.708 10 0 AFAERN Cc1cc(N)cnc1-c1cccs1 226173276 344493831 /nfs/dbraw/zinc/49/38/31/344493831.db2.gz XKZGORUUJFHWRJ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC[C@H](C)C[C@]1(C)CC[C@@H](O)C1 226179600 344493847 /nfs/dbraw/zinc/49/38/47/344493847.db2.gz DTBUUAZBYBZCKG-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN FC(F)Oc1cnc2ccccc2c1 226193747 344494585 /nfs/dbraw/zinc/49/45/85/344494585.db2.gz FEPOKXDDUMVROS-UHFFFAOYSA-N 0 0 195.168 2.836 10 0 AFAERN Cc1ccc(F)c([C@@H]2CCC(=O)O2)c1 226208617 344495099 /nfs/dbraw/zinc/49/50/99/344495099.db2.gz MRHPVLZDDFGEMF-JTQLQIEISA-N 0 0 194.205 2.512 10 0 AFAERN CC[C@H](C)S[C@@H]1CCCC[C@H]1O 226257333 344496605 /nfs/dbraw/zinc/49/66/05/344496605.db2.gz VTPGYACBVSYOLO-IVZWLZJFSA-N 0 0 188.336 2.822 10 0 AFAERN CCC[C@@H](C)Nc1ncnc(C)c1F 226315407 344498436 /nfs/dbraw/zinc/49/84/36/344498436.db2.gz GUEZJIXXVMGFBL-SSDOTTSWSA-N 0 0 197.257 2.525 10 0 AFAERN CCC(C)(CC)NC(=O)c1ccco1 226515155 344505292 /nfs/dbraw/zinc/50/52/92/344505292.db2.gz AEIFNXACCLKXJX-UHFFFAOYSA-N 0 0 195.262 2.588 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)c1ccco1 226530010 344505582 /nfs/dbraw/zinc/50/55/82/344505582.db2.gz JAGFJFVFEJHYHL-RKDXNWHRSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@H](O)CS[C@@H]1CCC[C@@H](C)C1 226539436 344506192 /nfs/dbraw/zinc/50/61/92/344506192.db2.gz VPQWPRDNAUWUNS-KXUCPTDWSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)[C@@H]1CCCS1 226600173 344507784 /nfs/dbraw/zinc/50/77/84/344507784.db2.gz DIGSZOPELHUZGK-BBBLOLIVSA-N 0 0 198.331 2.887 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)[C@@H]1CCCS1 226600160 344507846 /nfs/dbraw/zinc/50/78/46/344507846.db2.gz DIGSZOPELHUZGK-UTLUCORTSA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)CCC[C@@H]1c1cc(N)on1 226609869 344508146 /nfs/dbraw/zinc/50/81/46/344508146.db2.gz PGOZVXHHMFETHK-SSDOTTSWSA-N 0 0 180.251 2.551 10 0 AFAERN CC1(C)CCC[C@H]1c1cc(N)on1 226609873 344508231 /nfs/dbraw/zinc/50/82/31/344508231.db2.gz PGOZVXHHMFETHK-ZETCQYMHSA-N 0 0 180.251 2.551 10 0 AFAERN CCCNC(=O)[C@@H]1CCCCC1(C)C 226622775 344508572 /nfs/dbraw/zinc/50/85/72/344508572.db2.gz MTWMOOZZLMPMHG-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CCCNC(=O)[C@H]1CCCCC1(C)C 226622782 344508751 /nfs/dbraw/zinc/50/87/51/344508751.db2.gz MTWMOOZZLMPMHG-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CC1(C)CCC[C@H]1[C@@H](O)c1cc[nH]c1 226659528 344509619 /nfs/dbraw/zinc/50/96/19/344509619.db2.gz PDNRLHZBQZQHLV-QWRGUYRKSA-N 0 0 193.290 2.874 10 0 AFAERN CC1(C)CCC[C@@H]1[C@H](O)c1cc[nH]c1 226659533 344509746 /nfs/dbraw/zinc/50/97/46/344509746.db2.gz PDNRLHZBQZQHLV-GHMZBOCLSA-N 0 0 193.290 2.874 10 0 AFAERN CC[C@H](C)C[C@@]1(O)CC[C@@H](C)C1 226697100 344510322 /nfs/dbraw/zinc/51/03/22/344510322.db2.gz NCBTZERGOATRIV-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1nc(Cl)no1 226695061 344510372 /nfs/dbraw/zinc/51/03/72/344510372.db2.gz FZUYUNZYGITPDG-RITPCOANSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@H]1CCC[C@H]1c1nc(Cl)no1 226695079 344510476 /nfs/dbraw/zinc/51/04/76/344510476.db2.gz FZUYUNZYGITPDG-NTSWFWBYSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@@H](Nc1ncc(N)s1)C(C)(C)C 226751827 344512181 /nfs/dbraw/zinc/51/21/81/344512181.db2.gz RIXSAUWWKGTBIH-ZCFIWIBFSA-N 0 0 199.323 2.572 10 0 AFAERN C[C@H](Nc1ncc(N)s1)C(C)(C)C 226751832 344512205 /nfs/dbraw/zinc/51/22/05/344512205.db2.gz RIXSAUWWKGTBIH-LURJTMIESA-N 0 0 199.323 2.572 10 0 AFAERN CC1(C)CCC[C@@H]1c1cc(N)no1 226765171 344512617 /nfs/dbraw/zinc/51/26/17/344512617.db2.gz UVMMFLYAOHHULI-SSDOTTSWSA-N 0 0 180.251 2.551 10 0 AFAERN CC1(C)CCC[C@H]1c1cc(N)no1 226765175 344512713 /nfs/dbraw/zinc/51/27/13/344512713.db2.gz UVMMFLYAOHHULI-ZETCQYMHSA-N 0 0 180.251 2.551 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1csc(N)n1 226775573 344513193 /nfs/dbraw/zinc/51/31/93/344513193.db2.gz SMOUFRNBGRHXOO-RQJHMYQMSA-N 0 0 182.292 2.629 10 0 AFAERN C[C@@H]1CCC[C@H]1c1nncn1C1CC1 226772632 344513196 /nfs/dbraw/zinc/51/31/96/344513196.db2.gz WMXFGHIYQDRQJW-PSASIEDQSA-N 0 0 191.278 2.517 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1nncn1C1CC1 226772622 344513201 /nfs/dbraw/zinc/51/32/01/344513201.db2.gz WMXFGHIYQDRQJW-SCZZXKLOSA-N 0 0 191.278 2.517 10 0 AFAERN C[C@@H]1CCC[C@H]1c1csc(N)n1 226775583 344513207 /nfs/dbraw/zinc/51/32/07/344513207.db2.gz SMOUFRNBGRHXOO-RNFRBKRXSA-N 0 0 182.292 2.629 10 0 AFAERN CC(C)C(=O)c1cc(N)cc(Cl)c1 226771711 344513213 /nfs/dbraw/zinc/51/32/13/344513213.db2.gz NCHLCFBDBNKNFY-UHFFFAOYSA-N 0 0 197.665 2.761 10 0 AFAERN C[C@H]1CCC[C@@H]1c1nncn1C1CC1 226772627 344513236 /nfs/dbraw/zinc/51/32/36/344513236.db2.gz WMXFGHIYQDRQJW-WPRPVWTQSA-N 0 0 191.278 2.517 10 0 AFAERN CCC(=O)c1cc(N)cc(Cl)c1 226771742 344513277 /nfs/dbraw/zinc/51/32/77/344513277.db2.gz CQIAXAHZBSFBAJ-UHFFFAOYSA-N 0 0 183.638 2.515 10 0 AFAERN CC(C)(C)C(=O)c1cccc(F)c1N 226773702 344513283 /nfs/dbraw/zinc/51/32/83/344513283.db2.gz PQVLRYSYOJUOBJ-UHFFFAOYSA-N 0 0 195.237 2.637 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)c1ccoc1 226785603 344513546 /nfs/dbraw/zinc/51/35/46/344513546.db2.gz MUALQNYOQOKJEI-WCBMZHEXSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@H]1CCC[C@H]1c1nnc(Cl)o1 226778187 344513557 /nfs/dbraw/zinc/51/35/57/344513557.db2.gz ZYSKIFFTVHNRLQ-NTSWFWBYSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@H]1CCC[C@@H]1c1nnc(Cl)o1 226778167 344513560 /nfs/dbraw/zinc/51/35/60/344513560.db2.gz ZYSKIFFTVHNRLQ-WDSKDSINSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)c1ccoc1 226785598 344513598 /nfs/dbraw/zinc/51/35/98/344513598.db2.gz MUALQNYOQOKJEI-PSASIEDQSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)c1ccoc1 226785587 344513621 /nfs/dbraw/zinc/51/36/21/344513621.db2.gz MUALQNYOQOKJEI-SCZZXKLOSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@@H]1CCC[C@H]1c1nnc(Cl)o1 226778178 344513673 /nfs/dbraw/zinc/51/36/73/344513673.db2.gz ZYSKIFFTVHNRLQ-PHDIDXHHSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)c1ccoc1 226785592 344513750 /nfs/dbraw/zinc/51/37/50/344513750.db2.gz MUALQNYOQOKJEI-WPRPVWTQSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1nnc(Cl)o1 226778160 344513761 /nfs/dbraw/zinc/51/37/61/344513761.db2.gz ZYSKIFFTVHNRLQ-RITPCOANSA-N 0 0 186.642 2.627 10 0 AFAERN CC1(C)CCC[C@@H]1C(=O)C1CC1 226789205 344514013 /nfs/dbraw/zinc/51/40/13/344514013.db2.gz ZCXCHZRSXVVCJR-SECBINFHSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)CCC[C@H]1C(=O)C1CC1 226789210 344514087 /nfs/dbraw/zinc/51/40/87/344514087.db2.gz ZCXCHZRSXVVCJR-VIFPVBQESA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)CC1CC1 226787328 344514113 /nfs/dbraw/zinc/51/41/13/344514113.db2.gz GEHKJILUNZNGHZ-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)CC1CC1 226787340 344514132 /nfs/dbraw/zinc/51/41/32/344514132.db2.gz GEHKJILUNZNGHZ-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)CC1CC1 226787333 344514161 /nfs/dbraw/zinc/51/41/61/344514161.db2.gz GEHKJILUNZNGHZ-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)C1CCC1 226800386 344514253 /nfs/dbraw/zinc/51/42/53/344514253.db2.gz JFSRPBLYVIQHRK-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1c(N)cccc1C(=O)C1CCC1 226812096 344514286 /nfs/dbraw/zinc/51/42/86/344514286.db2.gz IMABXYOSVQYWTC-UHFFFAOYSA-N 0 0 189.258 2.560 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)C1CCC1 226800382 344514292 /nfs/dbraw/zinc/51/42/92/344514292.db2.gz JFSRPBLYVIQHRK-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)C1CCC1 226800375 344514331 /nfs/dbraw/zinc/51/43/31/344514331.db2.gz JFSRPBLYVIQHRK-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccncc1Cl 226801190 344514351 /nfs/dbraw/zinc/51/43/51/344514351.db2.gz YTGOLMALLPZVLC-GMSGAONNSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)C1CCC1 226800392 344514460 /nfs/dbraw/zinc/51/44/60/344514460.db2.gz JFSRPBLYVIQHRK-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ccncc1Cl 226801177 344514487 /nfs/dbraw/zinc/51/44/87/344514487.db2.gz YTGOLMALLPZVLC-XCBNKYQSSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccncc1Cl 226801183 344514495 /nfs/dbraw/zinc/51/44/95/344514495.db2.gz YTGOLMALLPZVLC-XVKPBYJWSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ccncc1Cl 226801196 344514536 /nfs/dbraw/zinc/51/45/36/344514536.db2.gz YTGOLMALLPZVLC-OIBJUYFYSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CCC[C@@H]1[C@@H](O)C(C)(C)C 226916800 344516884 /nfs/dbraw/zinc/51/68/84/344516884.db2.gz UROJQEUMIOGILI-KXUCPTDWSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CCC[C@H]1[C@@H](O)C(C)(C)C 226916813 344516975 /nfs/dbraw/zinc/51/69/75/344516975.db2.gz UROJQEUMIOGILI-OPRDCNLKSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)C[C@H](O)[C@H]1CCC[C@@H]1C 226910003 344516986 /nfs/dbraw/zinc/51/69/86/344516986.db2.gz NNPNWABDXDPPTB-DCAQKATOSA-N 0 0 170.296 2.830 10 0 AFAERN CCC(CC)Nc1ccc(OC)cn1 226949213 344517924 /nfs/dbraw/zinc/51/79/24/344517924.db2.gz BLGAEWNUQDCBHU-UHFFFAOYSA-N 0 0 194.278 2.691 10 0 AFAERN CC[C@](C)(O)[C@H]1CCC[C@@H](C)C1 226979742 344518347 /nfs/dbraw/zinc/51/83/47/344518347.db2.gz SXFJXRBJQCSEKW-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@](C)(O)[C@@H]1CCC[C@@H](C)C1 226979726 344518438 /nfs/dbraw/zinc/51/84/38/344518438.db2.gz SXFJXRBJQCSEKW-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(C)c([C@H](O)[C@@H]2C[C@H]2C)c1 226983756 344518746 /nfs/dbraw/zinc/51/87/46/344518746.db2.gz DZISQCWLDNSXEM-RTXFEEFZSA-N 0 0 190.286 2.993 10 0 AFAERN CC[C@@H]1CCC[C@@H]([C@@H](O)C2CC2)C1 226984578 344518808 /nfs/dbraw/zinc/51/88/08/344518808.db2.gz ATZZUOAZXCERGW-JLLWLGSASA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@@H]1CCC[C@H]([C@@H](O)C2CC2)C1 226984566 344518828 /nfs/dbraw/zinc/51/88/28/344518828.db2.gz ATZZUOAZXCERGW-USWWRNFRSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccc(C)c([C@H](O)[C@H]2C[C@H]2C)c1 226983751 344518847 /nfs/dbraw/zinc/51/88/47/344518847.db2.gz DZISQCWLDNSXEM-WXHSDQCUSA-N 0 0 190.286 2.993 10 0 AFAERN Cc1ccc(C[C@H](O)[C@@H]2C[C@H]2C)cc1 227034528 344519554 /nfs/dbraw/zinc/51/95/54/344519554.db2.gz WWYPPFWAUIFPJA-RTXFEEFZSA-N 0 0 190.286 2.554 10 0 AFAERN Cc1ccc(C[C@H](O)[C@H]2C[C@H]2C)cc1 227034516 344519595 /nfs/dbraw/zinc/51/95/95/344519595.db2.gz WWYPPFWAUIFPJA-WXHSDQCUSA-N 0 0 190.286 2.554 10 0 AFAERN Cc1nccc2c(Cl)ccnc12 227104036 344522586 /nfs/dbraw/zinc/52/25/86/344522586.db2.gz QAQGTLZAEDNDAJ-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN C[C@H](O)C=C1C[C@@H](C)C[C@@H](C)C1 227175865 344524471 /nfs/dbraw/zinc/52/44/71/344524471.db2.gz GFAZWQFEZLLWLL-AEJSXWLSSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@H](O)[C@H]1CCC[C@@H](C)CC1 227200196 344524917 /nfs/dbraw/zinc/52/49/17/344524917.db2.gz PAMFDYDFMIYDIH-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H](O)[C@@H]1CCC[C@@H](C)CC1 227200185 344524966 /nfs/dbraw/zinc/52/49/66/344524966.db2.gz PAMFDYDFMIYDIH-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)C[C@H]1CC[C@@H](O)C1 227229759 344526080 /nfs/dbraw/zinc/52/60/80/344526080.db2.gz NQLDYQPHGFOUII-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)C[C@@H]1CCC[C@@H](O)C1 227231312 344526084 /nfs/dbraw/zinc/52/60/84/344526084.db2.gz COILEFYVKZXNNM-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)CC[C@H]1CCC[C@@H](C)C1 227228302 344526213 /nfs/dbraw/zinc/52/62/13/344526213.db2.gz TUCGJWMCFMPTCY-OUAUKWLOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)C[C@@H]1CC[C@@H](O)C1 227229750 344526243 /nfs/dbraw/zinc/52/62/43/344526243.db2.gz NQLDYQPHGFOUII-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)C[C@H]1CCC[C@@H](O)C1 227231324 344526278 /nfs/dbraw/zinc/52/62/78/344526278.db2.gz COILEFYVKZXNNM-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)CC[C@@H]1CCC[C@@H](C)C1 227228293 344526363 /nfs/dbraw/zinc/52/63/63/344526363.db2.gz TUCGJWMCFMPTCY-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(F)c(C[NH2+]C2CCC2)c1 227287395 344527506 /nfs/dbraw/zinc/52/75/06/344527506.db2.gz QYGWUCAFTMWWPW-UHFFFAOYSA-N 0 0 193.265 2.776 10 0 AFAERN C[C@@H]1c2c(F)cc(F)cc2[C@H](O)[C@H]1C 227297488 344527925 /nfs/dbraw/zinc/52/79/25/344527925.db2.gz UCZCEEANQJTWQT-ZJXQECPTSA-N 0 0 198.212 2.751 10 0 AFAERN C[C@@H]1C(=O)[C@@H]2CCc3ccccc3[C@H]12 227345091 344529227 /nfs/dbraw/zinc/52/92/27/344529227.db2.gz PSEPUYYGNJLEIV-AXTRIDKLSA-N 0 0 186.254 2.551 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](O)c1c(F)cccc1F 227495848 344532218 /nfs/dbraw/zinc/53/22/18/344532218.db2.gz GYAKQKLCTOMNOZ-PTZCXBDSSA-N 0 0 198.212 2.654 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](O)c1c(F)cccc1F 227495862 344532251 /nfs/dbraw/zinc/53/22/51/344532251.db2.gz GYAKQKLCTOMNOZ-OPVBNTEQSA-N 0 0 198.212 2.654 10 0 AFAERN CC1(C)CCC[C@@H]1Nc1cnns1 227513021 344532805 /nfs/dbraw/zinc/53/28/05/344532805.db2.gz PEXPGQNASXRFGI-ZETCQYMHSA-N 0 0 197.307 2.529 10 0 AFAERN CC1CCC(Nc2cnns2)CC1 227513400 344533041 /nfs/dbraw/zinc/53/30/41/344533041.db2.gz JGBAREIINFIHJS-UHFFFAOYSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@H]1CCCC[C@H]1Nc1cnns1 227514233 344533077 /nfs/dbraw/zinc/53/30/77/344533077.db2.gz LTTSFOCTYVNGRV-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@H]1CCCC[C@@H]1Nc1cnns1 227514225 344533188 /nfs/dbraw/zinc/53/31/88/344533188.db2.gz LTTSFOCTYVNGRV-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCCC[C@@H]1Nc1cnns1 227514220 344533219 /nfs/dbraw/zinc/53/32/19/344533219.db2.gz LTTSFOCTYVNGRV-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN CC1(C)CCC[C@H]1Nc1cnns1 227513026 344533259 /nfs/dbraw/zinc/53/32/59/344533259.db2.gz PEXPGQNASXRFGI-SSDOTTSWSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCCC[C@H]1Nc1cnns1 227514228 344533283 /nfs/dbraw/zinc/53/32/83/344533283.db2.gz LTTSFOCTYVNGRV-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1C[C@@H]1CNc1ccnc(Cl)c1 227536954 344533950 /nfs/dbraw/zinc/53/39/50/344533950.db2.gz BHLWGNMRRHMSDU-HTQZYQBOSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@H]1C[C@@H]1CNc1ccnc(Cl)c1 227536960 344533960 /nfs/dbraw/zinc/53/39/60/344533960.db2.gz BHLWGNMRRHMSDU-JGVFFNPUSA-N 0 0 196.681 2.803 10 0 AFAERN CC1CC(Nc2ccc(O)cc2)C1 227541980 344533997 /nfs/dbraw/zinc/53/39/97/344533997.db2.gz AKNQDKJAGNGMIJ-UHFFFAOYSA-N 0 0 177.247 2.603 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](O)C1CCCCCC1 227544225 344534042 /nfs/dbraw/zinc/53/40/42/344534042.db2.gz KNRVWWPSQFZVST-JLLWLGSASA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H]1C[C@H]1CNc1ccnc(Cl)c1 227536966 344534082 /nfs/dbraw/zinc/53/40/82/344534082.db2.gz BHLWGNMRRHMSDU-YUMQZZPRSA-N 0 0 196.681 2.803 10 0 AFAERN CC1CC(Nc2cccc(O)c2)C1 227542253 344534094 /nfs/dbraw/zinc/53/40/94/344534094.db2.gz QIVCBVABXJAOIP-UHFFFAOYSA-N 0 0 177.247 2.603 10 0 AFAERN C[C@@H]1C[C@H]1CNc1ccnc(Cl)c1 227536963 344534100 /nfs/dbraw/zinc/53/41/00/344534100.db2.gz BHLWGNMRRHMSDU-SFYZADRCSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](O)C1CCCCCC1 227544216 344534118 /nfs/dbraw/zinc/53/41/18/344534118.db2.gz KNRVWWPSQFZVST-USWWRNFRSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@H](C)C(=O)c1ncc(C)cc1C 227561277 344535032 /nfs/dbraw/zinc/53/50/32/344535032.db2.gz XHXMODDUEYDIJK-VIFPVBQESA-N 0 0 191.274 2.927 10 0 AFAERN Cc1sccc1[C@H](N)C(F)(F)F 227562307 344535042 /nfs/dbraw/zinc/53/50/42/344535042.db2.gz MNIPBYHQIUKETH-LURJTMIESA-N 0 0 195.209 2.619 10 0 AFAERN C[C@@H]1C[C@H]1c1ccc([C@@H](O)C2CC2)o1 227612235 344536587 /nfs/dbraw/zinc/53/65/87/344536587.db2.gz WFISOAWFWIEYCK-GMEUVTARSA-N 0 0 192.258 2.846 10 0 AFAERN C[C@@H]1C[C@@H]1c1ccc([C@@H](O)C2CC2)o1 227612225 344536711 /nfs/dbraw/zinc/53/67/11/344536711.db2.gz WFISOAWFWIEYCK-FDOIEUKUSA-N 0 0 192.258 2.846 10 0 AFAERN CC(C)[C@H](C)Nc1ccnc(F)c1 227639063 344540862 /nfs/dbraw/zinc/54/08/62/344540862.db2.gz OFMFKGYTLQRLOP-QMMMGPOBSA-N 0 0 182.242 2.677 10 0 AFAERN Fc1cc(OC2CCCCC2)ccn1 227637565 344540870 /nfs/dbraw/zinc/54/08/70/344540870.db2.gz WGQZCJVYHZPLDP-UHFFFAOYSA-N 0 0 195.237 2.932 10 0 AFAERN CC(C)[C@@H](C)Nc1ccnc(F)c1 227639057 344540915 /nfs/dbraw/zinc/54/09/15/344540915.db2.gz OFMFKGYTLQRLOP-MRVPVSSYSA-N 0 0 182.242 2.677 10 0 AFAERN CCC(C)(C)Oc1ccnc(F)c1 227637831 344540993 /nfs/dbraw/zinc/54/09/93/344540993.db2.gz LRPSFHNKDVZSGB-UHFFFAOYSA-N 0 0 183.226 2.788 10 0 AFAERN CCC(C)(C)Nc1ccnc(F)c1 227639198 344541024 /nfs/dbraw/zinc/54/10/24/344541024.db2.gz BGYNZGPXQZMEIN-UHFFFAOYSA-N 0 0 182.242 2.821 10 0 AFAERN Fc1cc(OCC2CCCC2)ccn1 227638782 344541030 /nfs/dbraw/zinc/54/10/30/344541030.db2.gz OJLLBNJEZLLFTD-UHFFFAOYSA-N 0 0 195.237 2.790 10 0 AFAERN CC(C)(C)CNc1ccnc(F)c1 227641152 344541253 /nfs/dbraw/zinc/54/12/53/344541253.db2.gz VDXRVVVJIQJFPZ-UHFFFAOYSA-N 0 0 182.242 2.679 10 0 AFAERN CC(C)[C@@H](C)N(C)c1ccnc(F)c1 227640825 344541255 /nfs/dbraw/zinc/54/12/55/344541255.db2.gz KVQNBHFMWYRESG-SECBINFHSA-N 0 0 196.269 2.701 10 0 AFAERN CN(c1ccnc(F)c1)C1CCCC1 227640197 344541271 /nfs/dbraw/zinc/54/12/71/344541271.db2.gz CSWBRBYBCFDRRX-UHFFFAOYSA-N 0 0 194.253 2.600 10 0 AFAERN CC(C)[C@H](C)N(C)c1ccnc(F)c1 227640829 344541340 /nfs/dbraw/zinc/54/13/40/344541340.db2.gz KVQNBHFMWYRESG-VIFPVBQESA-N 0 0 196.269 2.701 10 0 AFAERN CCC[C@@H](C)Nc1ccnc(F)c1 227639810 344541356 /nfs/dbraw/zinc/54/13/56/344541356.db2.gz WLNLPFNXIIJXER-MRVPVSSYSA-N 0 0 182.242 2.821 10 0 AFAERN CN(CC(C)(C)C)c1ccnc(F)c1 227642955 344541367 /nfs/dbraw/zinc/54/13/67/344541367.db2.gz TVQQSVYZAMZWBD-UHFFFAOYSA-N 0 0 196.269 2.703 10 0 AFAERN CCC(CC)Nc1ccnc(F)c1 227639756 344541457 /nfs/dbraw/zinc/54/14/57/344541457.db2.gz UIJPIILMOYYJII-UHFFFAOYSA-N 0 0 182.242 2.821 10 0 AFAERN CC(C)CSc1ccnc(F)c1 227646798 344541725 /nfs/dbraw/zinc/54/17/25/344541725.db2.gz TVWPPWPQGRHBQA-UHFFFAOYSA-N 0 0 185.267 2.969 10 0 AFAERN CC(C)Sc1ccnc(F)c1 227647078 344541727 /nfs/dbraw/zinc/54/17/27/344541727.db2.gz IYBQNFZLRXYEIS-UHFFFAOYSA-N 0 0 171.240 2.721 10 0 AFAERN CCCSc1ccnc(F)c1 227646864 344541751 /nfs/dbraw/zinc/54/17/51/344541751.db2.gz OAHHORCLEQRUPB-UHFFFAOYSA-N 0 0 171.240 2.723 10 0 AFAERN C[C@H](CC1CC1)Nc1ccnc(F)c1 227644426 344541754 /nfs/dbraw/zinc/54/17/54/344541754.db2.gz JDNHBTDWMLJKOH-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN CCC(C)(C)N(C)c1ccnc(F)c1 227644377 344541767 /nfs/dbraw/zinc/54/17/67/344541767.db2.gz JMVWVFGUHNXDTN-UHFFFAOYSA-N 0 0 196.269 2.846 10 0 AFAERN C[C@@H](CC1CC1)Nc1ccnc(F)c1 227644422 344541872 /nfs/dbraw/zinc/54/18/72/344541872.db2.gz JDNHBTDWMLJKOH-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN CC1(Nc2ccnc(F)c2)CCCC1 227644834 344541919 /nfs/dbraw/zinc/54/19/19/344541919.db2.gz VVFDTBIJNDSBFQ-UHFFFAOYSA-N 0 0 194.253 2.965 10 0 AFAERN Nc1cc(SC2CCCC2)ccn1 227674474 344543618 /nfs/dbraw/zinc/54/36/18/344543618.db2.gz ONKALYXZDKSJSA-UHFFFAOYSA-N 0 0 194.303 2.699 10 0 AFAERN CNc1cc(SCC(C)C)ccn1 227673088 344543781 /nfs/dbraw/zinc/54/37/81/344543781.db2.gz SAQYQWPJOYNJLQ-UHFFFAOYSA-N 0 0 196.319 2.871 10 0 AFAERN CCCNc1cc(SC)ccn1 227673838 344543821 /nfs/dbraw/zinc/54/38/21/344543821.db2.gz ILLMSKQMPQVNET-UHFFFAOYSA-N 0 0 182.292 2.625 10 0 AFAERN CNc1cc(SC(C)C)ccn1 227673800 344543887 /nfs/dbraw/zinc/54/38/87/344543887.db2.gz HNCCFBPIIKDALM-UHFFFAOYSA-N 0 0 182.292 2.624 10 0 AFAERN CC(C)(C)Sc1ccnc(N)c1 227673291 344543892 /nfs/dbraw/zinc/54/38/92/344543892.db2.gz KDPDNHPAZBNDGJ-UHFFFAOYSA-N 0 0 182.292 2.554 10 0 AFAERN CC[C@@H](C)Sc1ccnc(N)c1 227673225 344543918 /nfs/dbraw/zinc/54/39/18/344543918.db2.gz ZRCCUVZSQZOULV-SSDOTTSWSA-N 0 0 182.292 2.554 10 0 AFAERN CC[C@H](C)Sc1ccnc(N)c1 227673231 344543959 /nfs/dbraw/zinc/54/39/59/344543959.db2.gz ZRCCUVZSQZOULV-ZETCQYMHSA-N 0 0 182.292 2.554 10 0 AFAERN CCCSc1ccnc(NC)c1 227673317 344543963 /nfs/dbraw/zinc/54/39/63/344543963.db2.gz KIFDNYPYGRVXCQ-UHFFFAOYSA-N 0 0 182.292 2.625 10 0 AFAERN CC1CC(Nc2ccnc(Cl)c2)C1 227688896 344544639 /nfs/dbraw/zinc/54/46/39/344544639.db2.gz SJXYNQMWGRIBRA-UHFFFAOYSA-N 0 0 196.681 2.945 10 0 AFAERN CC(C)N(C)c1ccnc(Cl)c1 227685679 344544659 /nfs/dbraw/zinc/54/46/59/344544659.db2.gz QTCWPEHWKIZLNH-UHFFFAOYSA-N 0 0 184.670 2.580 10 0 AFAERN CNc1ccnc(-c2cccs2)c1 227691225 344544803 /nfs/dbraw/zinc/54/48/03/344544803.db2.gz HIRJWBDLTUTQLE-UHFFFAOYSA-N 0 0 190.271 2.852 10 0 AFAERN Fc1ccnc(-c2cccs2)c1 227689375 344544870 /nfs/dbraw/zinc/54/48/70/344544870.db2.gz SWNITXIDAGHBGH-UHFFFAOYSA-N 0 0 179.219 2.949 10 0 AFAERN CC(C)N1c2ccccc2NC[C@H]1C 227739594 344545845 /nfs/dbraw/zinc/54/58/45/344545845.db2.gz GRDGGKHNBKPEOV-SNVBAGLBSA-N 0 0 190.290 2.715 10 0 AFAERN Cc1sccc1[C@@](C)(O)C1CC1 227745622 344546007 /nfs/dbraw/zinc/54/60/07/344546007.db2.gz MUOVOJZCFAXKMO-JTQLQIEISA-N 0 0 182.288 2.674 10 0 AFAERN Cc1sccc1[C@](C)(O)C1CC1 227745625 344546016 /nfs/dbraw/zinc/54/60/16/344546016.db2.gz MUOVOJZCFAXKMO-SNVBAGLBSA-N 0 0 182.288 2.674 10 0 AFAERN CC(C)N1c2ccccc2NC[C@@H]1C 227739589 344546119 /nfs/dbraw/zinc/54/61/19/344546119.db2.gz GRDGGKHNBKPEOV-JTQLQIEISA-N 0 0 190.290 2.715 10 0 AFAERN Cc1sccc1C(=O)C(C)C 227771190 344547104 /nfs/dbraw/zinc/54/71/04/344547104.db2.gz PXCKZZCASREGHL-UHFFFAOYSA-N 0 0 168.261 2.895 10 0 AFAERN Cc1sccc1C(=O)[C@H]1C[C@H]1C 227773390 344547021 /nfs/dbraw/zinc/54/70/21/344547021.db2.gz JMOQHDRAERRYJI-MUWHJKNJSA-N 0 0 180.272 2.895 10 0 AFAERN Cc1sccc1C(=O)[C@@H]1C[C@@H]1C 227773377 344547048 /nfs/dbraw/zinc/54/70/48/344547048.db2.gz JMOQHDRAERRYJI-IMTBSYHQSA-N 0 0 180.272 2.895 10 0 AFAERN Cc1sccc1C(=O)c1ccco1 227772223 344547093 /nfs/dbraw/zinc/54/70/93/344547093.db2.gz YIZOHQKSHUPOBK-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1sccc1C(=O)C(F)(F)F 227772338 344547143 /nfs/dbraw/zinc/54/71/43/344547143.db2.gz ZJLTUOBAXFWXCR-UHFFFAOYSA-N 0 0 194.177 2.802 10 0 AFAERN Cc1sccc1C(=O)c1ccoc1 227772680 344547154 /nfs/dbraw/zinc/54/71/54/344547154.db2.gz SJOQZCICNSNHJM-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1sccc1C(=O)C1CC1 227771361 344547277 /nfs/dbraw/zinc/54/72/77/344547277.db2.gz YMFIVKHYYOEPDO-UHFFFAOYSA-N 0 0 166.245 2.649 10 0 AFAERN Cc1sccc1C(=O)C(F)F 227775487 344547304 /nfs/dbraw/zinc/54/73/04/344547304.db2.gz XRHFDHDITDWUMY-UHFFFAOYSA-N 0 0 176.187 2.504 10 0 AFAERN Cc1sccc1C(=O)[C@@H]1C[C@H]1C 227773385 344547307 /nfs/dbraw/zinc/54/73/07/344547307.db2.gz JMOQHDRAERRYJI-HZGVNTEJSA-N 0 0 180.272 2.895 10 0 AFAERN Cc1sccc1C(=O)[C@H]1C[C@@H]1C 227773381 344547320 /nfs/dbraw/zinc/54/73/20/344547320.db2.gz JMOQHDRAERRYJI-RCOVLWMOSA-N 0 0 180.272 2.895 10 0 AFAERN CSCC(=O)c1ccsc1C 227772235 344547326 /nfs/dbraw/zinc/54/73/26/344547326.db2.gz JPLQRQAAVOIVSB-UHFFFAOYSA-N 0 0 186.301 2.602 10 0 AFAERN Cc1sccc1[C@H](N)c1ccco1 227787586 344547756 /nfs/dbraw/zinc/54/77/56/344547756.db2.gz KILSVQYZLPHCDS-JTQLQIEISA-N 0 0 193.271 2.698 10 0 AFAERN Cc1sccc1[C@@H](N)c1ccco1 227787584 344547869 /nfs/dbraw/zinc/54/78/69/344547869.db2.gz KILSVQYZLPHCDS-SNVBAGLBSA-N 0 0 193.271 2.698 10 0 AFAERN Cc1sccc1-c1cccnc1N 227809095 344548375 /nfs/dbraw/zinc/54/83/75/344548375.db2.gz BLTXSOLUWHYAFL-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1sccc1-c1ccc(N)cn1 227809172 344548396 /nfs/dbraw/zinc/54/83/96/344548396.db2.gz QDTVXSFFMMOXSX-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1sccc1-c1cnc(N)s1 227808700 344548540 /nfs/dbraw/zinc/54/85/40/344548540.db2.gz UGKWHSAPRWNWSB-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN Cc1sccc1-c1ccnc(N)c1 227809031 344548548 /nfs/dbraw/zinc/54/85/48/344548548.db2.gz OAXBLYSYCAHJDX-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1sccc1-c1ncccc1N 227809143 344548563 /nfs/dbraw/zinc/54/85/63/344548563.db2.gz GOGPTHBVQCVDTR-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1sccc1-c1ccncc1N 227809196 344548594 /nfs/dbraw/zinc/54/85/94/344548594.db2.gz ADHCKZRMDUUVNV-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1sccc1[C@@H]1CCC(=O)C1 227854235 344548757 /nfs/dbraw/zinc/54/87/57/344548757.db2.gz PPBAIDJFHMTWAO-MRVPVSSYSA-N 0 0 180.272 2.893 10 0 AFAERN CC(=O)CCc1ccsc1C 227854247 344548882 /nfs/dbraw/zinc/54/88/82/344548882.db2.gz NXVUOISYEORSFU-UHFFFAOYSA-N 0 0 168.261 2.578 10 0 AFAERN Cc1sccc1[C@@H]1CCCC1=O 227851058 344548886 /nfs/dbraw/zinc/54/88/86/344548886.db2.gz MOCUXTPKFZKQOG-VIFPVBQESA-N 0 0 180.272 2.893 10 0 AFAERN Cc1sccc1[C@H]1CCCC1=O 227851062 344548924 /nfs/dbraw/zinc/54/89/24/344548924.db2.gz MOCUXTPKFZKQOG-SECBINFHSA-N 0 0 180.272 2.893 10 0 AFAERN Cc1sccc1[C@H]1CCC(=O)C1 227854239 344548987 /nfs/dbraw/zinc/54/89/87/344548987.db2.gz PPBAIDJFHMTWAO-QMMMGPOBSA-N 0 0 180.272 2.893 10 0 AFAERN Cc1sccc1[C@@H]1CC[C@@H](O)C1 227856429 344549344 /nfs/dbraw/zinc/54/93/44/344549344.db2.gz ULLNKLLLNOAMKY-RKDXNWHRSA-N 0 0 182.288 2.685 10 0 AFAERN Cc1sccc1C1=C[C@H](O)CC1 227856780 344549391 /nfs/dbraw/zinc/54/93/91/344549391.db2.gz PIWQGNOJVQRCGA-SECBINFHSA-N 0 0 180.272 2.595 10 0 AFAERN Cc1sccc1[C@]1(F)CCC[NH2+]C1 227877514 344549407 /nfs/dbraw/zinc/54/94/07/344549407.db2.gz VKMGMNYBIFKNOV-JTQLQIEISA-N 0 0 199.294 2.605 10 0 AFAERN Cc1sccc1[C@H]1CC[C@H](O)C1 227856441 344549431 /nfs/dbraw/zinc/54/94/31/344549431.db2.gz ULLNKLLLNOAMKY-IUCAKERBSA-N 0 0 182.288 2.685 10 0 AFAERN Cc1sccc1[C@@H]1CC[C@H](O)C1 227856436 344549434 /nfs/dbraw/zinc/54/94/34/344549434.db2.gz ULLNKLLLNOAMKY-BDAKNGLRSA-N 0 0 182.288 2.685 10 0 AFAERN Cc1sccc1C1=C[C@@H](O)CC1 227856774 344549437 /nfs/dbraw/zinc/54/94/37/344549437.db2.gz PIWQGNOJVQRCGA-VIFPVBQESA-N 0 0 180.272 2.595 10 0 AFAERN Cc1sccc1[C@@]1(F)CCC[NH2+]C1 227877509 344549540 /nfs/dbraw/zinc/54/95/40/344549540.db2.gz VKMGMNYBIFKNOV-SNVBAGLBSA-N 0 0 199.294 2.605 10 0 AFAERN CC[C@](O)(c1cncc(C)c1)C(C)C 227942744 344551689 /nfs/dbraw/zinc/55/16/89/344551689.db2.gz JMXZIRXFKRORGI-GFCCVEGCSA-N 0 0 193.290 2.644 10 0 AFAERN Cc1cncc([C@@H](O)CC(C)(C)C)c1 227944336 344551815 /nfs/dbraw/zinc/55/18/15/344551815.db2.gz OTXHEGIHYHJPOS-NSHDSACASA-N 0 0 193.290 2.860 10 0 AFAERN Cc1cncc(C2(O)CCCCC2)c1 227942026 344551895 /nfs/dbraw/zinc/55/18/95/344551895.db2.gz ZZCUTZJMNKDTBX-UHFFFAOYSA-N 0 0 191.274 2.542 10 0 AFAERN Cc1cncc([C@H](O)CC(C)(C)C)c1 227944344 344551913 /nfs/dbraw/zinc/55/19/13/344551913.db2.gz OTXHEGIHYHJPOS-LLVKDONJSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@@](O)(c1cncc(C)c1)C(C)C 227942736 344552035 /nfs/dbraw/zinc/55/20/35/344552035.db2.gz JMXZIRXFKRORGI-LBPRGKRZSA-N 0 0 193.290 2.644 10 0 AFAERN CC[C@@H](C)C(=O)c1cncc(C)c1 227948439 344552348 /nfs/dbraw/zinc/55/23/48/344552348.db2.gz AHDXWSOWPNKRAY-SECBINFHSA-N 0 0 177.247 2.619 10 0 AFAERN CC[C@H](C)C(=O)c1cncc(C)c1 227948452 344552391 /nfs/dbraw/zinc/55/23/91/344552391.db2.gz AHDXWSOWPNKRAY-VIFPVBQESA-N 0 0 177.247 2.619 10 0 AFAERN Cc1cncc(C(=O)CC(C)C)c1 227947891 344552443 /nfs/dbraw/zinc/55/24/43/344552443.db2.gz ILUYWVQKINSKCA-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1cncc(C(=O)c2ccccc2)c1 227947911 344552553 /nfs/dbraw/zinc/55/25/53/344552553.db2.gz NJBBPYNEEGOMIL-UHFFFAOYSA-N 0 0 197.237 2.621 10 0 AFAERN Cc1cncc(-c2ccccc2C=O)c1 227963599 344552896 /nfs/dbraw/zinc/55/28/96/344552896.db2.gz BUQWTGRKXAYCSA-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1cncc(-c2ccccc2N)c1 227963410 344553010 /nfs/dbraw/zinc/55/30/10/344553010.db2.gz SIBMVABIEYRDFK-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1cncc(-c2cccc(N)c2)c1 227963359 344553046 /nfs/dbraw/zinc/55/30/46/344553046.db2.gz DYDZNSKEMQCICK-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1cncc(-c2ccc(N)cc2)c1 227963236 344553059 /nfs/dbraw/zinc/55/30/59/344553059.db2.gz FYQUSEBWSGWRDC-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1cncc([C@@H]2CCCCC2=O)c1 227965563 344553577 /nfs/dbraw/zinc/55/35/77/344553577.db2.gz JMHPNIOMCYJKFB-NSHDSACASA-N 0 0 189.258 2.617 10 0 AFAERN Cc1cncc([C@H]2CCCCC2=O)c1 227965571 344553604 /nfs/dbraw/zinc/55/36/04/344553604.db2.gz JMHPNIOMCYJKFB-LLVKDONJSA-N 0 0 189.258 2.617 10 0 AFAERN Cc1cncc([C@](C)(O)C(C)(C)C)c1 227978784 344553846 /nfs/dbraw/zinc/55/38/46/344553846.db2.gz UXONLINBWZHOIM-LBPRGKRZSA-N 0 0 193.290 2.644 10 0 AFAERN CC(C)(C)[C@](C)(O)c1ccoc1 227979410 344553887 /nfs/dbraw/zinc/55/38/87/344553887.db2.gz LOQRSQMAGAVFOG-SNVBAGLBSA-N 0 0 168.236 2.533 10 0 AFAERN Cc1ccc(NC(C)C)cc1N(C)C 227982439 344553993 /nfs/dbraw/zinc/55/39/93/344553993.db2.gz KJKOMCCDNJTBKT-UHFFFAOYSA-N 0 0 192.306 2.881 10 0 AFAERN CCCNc1ccc(C)c(N(C)C)c1 227981722 344554087 /nfs/dbraw/zinc/55/40/87/344554087.db2.gz QGXZLHPKUKQJKQ-UHFFFAOYSA-N 0 0 192.306 2.883 10 0 AFAERN Cc1ccncc1[C@@](C)(O)C(C)(C)C 227980613 344554124 /nfs/dbraw/zinc/55/41/24/344554124.db2.gz HPCBJQRFKIXVEP-GFCCVEGCSA-N 0 0 193.290 2.644 10 0 AFAERN CC(C)(C)[C@@](C)(O)c1ccoc1 227979402 344554148 /nfs/dbraw/zinc/55/41/48/344554148.db2.gz LOQRSQMAGAVFOG-JTQLQIEISA-N 0 0 168.236 2.533 10 0 AFAERN Cc1cncc([C@@](C)(O)C(C)(C)C)c1 227978773 344554159 /nfs/dbraw/zinc/55/41/59/344554159.db2.gz UXONLINBWZHOIM-GFCCVEGCSA-N 0 0 193.290 2.644 10 0 AFAERN Cc1ccncc1[C@](C)(O)C(C)(C)C 227980621 344554168 /nfs/dbraw/zinc/55/41/68/344554168.db2.gz HPCBJQRFKIXVEP-LBPRGKRZSA-N 0 0 193.290 2.644 10 0 AFAERN C[C@@H]1CCCc2c1nc1ccccn21 228002727 344554385 /nfs/dbraw/zinc/55/43/85/344554385.db2.gz FMYQETHMNGKSHQ-SECBINFHSA-N 0 0 186.258 2.774 10 0 AFAERN Cc1csc2nc(C3CC3)c(C)n12 228005901 344554412 /nfs/dbraw/zinc/55/44/12/344554412.db2.gz MWZJHCUDTUABJK-UHFFFAOYSA-N 0 0 192.287 2.890 10 0 AFAERN CC[C@@H](C)c1cn2ccccc2n1 228002873 344554467 /nfs/dbraw/zinc/55/44/67/344554467.db2.gz BEAJCMQLOWMWIC-SECBINFHSA-N 0 0 174.247 2.848 10 0 AFAERN CC[C@H](C)c1cn2ccccc2n1 228002883 344554529 /nfs/dbraw/zinc/55/45/29/344554529.db2.gz BEAJCMQLOWMWIC-VIFPVBQESA-N 0 0 174.247 2.848 10 0 AFAERN Cc1csc2nc3c(n12)CC[C@H]3C 228005712 344554589 /nfs/dbraw/zinc/55/45/89/344554589.db2.gz RTTSJNNWIIBBSS-ZCFIWIBFSA-N 0 0 192.287 2.754 10 0 AFAERN C[C@H]1CCCc2c1nc1ccccn21 228002737 344554617 /nfs/dbraw/zinc/55/46/17/344554617.db2.gz FMYQETHMNGKSHQ-VIFPVBQESA-N 0 0 186.258 2.774 10 0 AFAERN C[C@H]1CCc2nc3sccn3c2C1 228003403 344554637 /nfs/dbraw/zinc/55/46/37/344554637.db2.gz FTTVVXGGZHWNJB-ZETCQYMHSA-N 0 0 192.287 2.521 10 0 AFAERN Cc1csc2nc(C3(C)CC3)cn12 228005154 344554652 /nfs/dbraw/zinc/55/46/52/344554652.db2.gz BZBCYXIBEQOUJD-UHFFFAOYSA-N 0 0 192.287 2.756 10 0 AFAERN Cc1csc2nc3c(n12)CC[C@@H]3C 228005727 344554693 /nfs/dbraw/zinc/55/46/93/344554693.db2.gz RTTSJNNWIIBBSS-LURJTMIESA-N 0 0 192.287 2.754 10 0 AFAERN CC1(C)CCc2c1nc1ccccn21 228002570 344554708 /nfs/dbraw/zinc/55/47/08/344554708.db2.gz KBKKABVZBOBTFF-UHFFFAOYSA-N 0 0 186.258 2.558 10 0 AFAERN Cc1ccc2nc3c(n2c1)CC[C@H]3C 228010335 344554715 /nfs/dbraw/zinc/55/47/15/344554715.db2.gz YUIABDWFAKMQRO-SECBINFHSA-N 0 0 186.258 2.692 10 0 AFAERN C[C@@H]1CCc2nc3sccn3c2C1 228003391 344554840 /nfs/dbraw/zinc/55/48/40/344554840.db2.gz FTTVVXGGZHWNJB-SSDOTTSWSA-N 0 0 192.287 2.521 10 0 AFAERN Cc1ccc2nc3c(n2c1)CC[C@@H]3C 228010346 344554879 /nfs/dbraw/zinc/55/48/79/344554879.db2.gz YUIABDWFAKMQRO-VIFPVBQESA-N 0 0 186.258 2.692 10 0 AFAERN CC1(c2cn3cc(F)ccc3n2)CC1 228020938 344555035 /nfs/dbraw/zinc/55/50/35/344555035.db2.gz HFISQRYPPREJPF-UHFFFAOYSA-N 0 0 190.221 2.525 10 0 AFAERN CCc1cnc2ccc(Cl)cn12 228012158 344555060 /nfs/dbraw/zinc/55/50/60/344555060.db2.gz OKZHWHCORRGXSZ-UHFFFAOYSA-N 0 0 180.638 2.550 10 0 AFAERN CCc1c(C)nc2c(C)cccn12 228018745 344555094 /nfs/dbraw/zinc/55/50/94/344555094.db2.gz ZOAAYFKKHVQSKN-UHFFFAOYSA-N 0 0 174.247 2.514 10 0 AFAERN Cc1c(C(C)C)nc2ccc(F)cn12 228020164 344555153 /nfs/dbraw/zinc/55/51/53/344555153.db2.gz IOBUDIKDBVQADZ-UHFFFAOYSA-N 0 0 192.237 2.905 10 0 AFAERN CCc1nc2cccc(C)n2c1C 228013950 344555174 /nfs/dbraw/zinc/55/51/74/344555174.db2.gz DOKULVQMPKTYDG-UHFFFAOYSA-N 0 0 174.247 2.514 10 0 AFAERN C[C@H]1CCc2c1nc1ccc(F)cn21 228019851 344555187 /nfs/dbraw/zinc/55/51/87/344555187.db2.gz ZLPCFNQPASJINS-ZETCQYMHSA-N 0 0 190.221 2.523 10 0 AFAERN CCc1c(C)nc2ccc(C)cn12 228011370 344555194 /nfs/dbraw/zinc/55/51/94/344555194.db2.gz GREWRRYLQZSYDS-UHFFFAOYSA-N 0 0 174.247 2.514 10 0 AFAERN Cc1ccc2nc(C3(C)CC3)cn2c1 228011199 344555208 /nfs/dbraw/zinc/55/52/08/344555208.db2.gz GDXYDFBSJTTXOC-UHFFFAOYSA-N 0 0 186.258 2.694 10 0 AFAERN CC[C@@H](C)c1cn2cc(F)ccc2n1 228019937 344555220 /nfs/dbraw/zinc/55/52/20/344555220.db2.gz VUASDUDEWDNJAF-MRVPVSSYSA-N 0 0 192.237 2.987 10 0 AFAERN CCc1nc2ccc(C)cn2c1C 228011282 344555259 /nfs/dbraw/zinc/55/52/59/344555259.db2.gz YTZRNWNCROWPEY-UHFFFAOYSA-N 0 0 174.247 2.514 10 0 AFAERN Cc1cccc2nc3c(n12)CC[C@@H]3C 228012867 344555266 /nfs/dbraw/zinc/55/52/66/344555266.db2.gz BTMRGKNQNJZLES-QMMMGPOBSA-N 0 0 186.258 2.692 10 0 AFAERN Cc1ccn2c3c(nc2c1)[C@@H](C)CC3 228016249 344555297 /nfs/dbraw/zinc/55/52/97/344555297.db2.gz DIYMPAFMQBIDLV-VIFPVBQESA-N 0 0 186.258 2.692 10 0 AFAERN C[C@@H]1CCc2c1nc1ccc(F)cn21 228019837 344555310 /nfs/dbraw/zinc/55/53/10/344555310.db2.gz ZLPCFNQPASJINS-SSDOTTSWSA-N 0 0 190.221 2.523 10 0 AFAERN Cc1cccc2nc3c(n12)CC[C@H]3C 228012855 344555344 /nfs/dbraw/zinc/55/53/44/344555344.db2.gz BTMRGKNQNJZLES-MRVPVSSYSA-N 0 0 186.258 2.692 10 0 AFAERN Cc1ccn2c3c(nc2c1)[C@H](C)CC3 228016238 344555374 /nfs/dbraw/zinc/55/53/74/344555374.db2.gz DIYMPAFMQBIDLV-SECBINFHSA-N 0 0 186.258 2.692 10 0 AFAERN CC[C@H](C)c1cn2cc(F)ccc2n1 228019948 344555447 /nfs/dbraw/zinc/55/54/47/344555447.db2.gz VUASDUDEWDNJAF-QMMMGPOBSA-N 0 0 192.237 2.987 10 0 AFAERN Cc1cccn2cc(C3(C)CC3)nc12 228018581 344555530 /nfs/dbraw/zinc/55/55/30/344555530.db2.gz XVFHGFKSPMIMIZ-UHFFFAOYSA-N 0 0 186.258 2.694 10 0 AFAERN CCCc1cn2c(C)cccc2n1 228013490 344555537 /nfs/dbraw/zinc/55/55/37/344555537.db2.gz STCSIIAXQCNTQT-UHFFFAOYSA-N 0 0 174.247 2.595 10 0 AFAERN CCc1c(C)nc2cc(C)ccn12 228017397 344555542 /nfs/dbraw/zinc/55/55/42/344555542.db2.gz HIVGUUYQUACEJE-UHFFFAOYSA-N 0 0 174.247 2.514 10 0 AFAERN Cc1ccc2ncc(C(C)(C)C)n2c1 228010641 344555578 /nfs/dbraw/zinc/55/55/78/344555578.db2.gz DUZVHXNMTOHENC-UHFFFAOYSA-N 0 0 188.274 2.940 10 0 AFAERN CCc1nc2ccc(Cl)cn2c1C 228012597 344555632 /nfs/dbraw/zinc/55/56/32/344555632.db2.gz GZHLPBUMNFOCHC-UHFFFAOYSA-N 0 0 194.665 2.859 10 0 AFAERN C/C=C\C(=O)NC1CCC(CC)CC1 228138085 344558199 /nfs/dbraw/zinc/55/81/99/344558199.db2.gz IUOLYWMNVWOPDJ-HYXAFXHYSA-N 0 0 195.306 2.648 10 0 AFAERN C[C@@H]1C[C@@H]2[C@@H](O)C[C@@H]2c2ccccc21 228187161 344558267 /nfs/dbraw/zinc/55/82/67/344558267.db2.gz ROZGLRYOEOFMRL-KMLBCRHOSA-N 0 0 188.270 2.658 10 0 AFAERN CC[C@@H]1CC/C(=C/[C@@H](C)O)C1 228126640 344558545 /nfs/dbraw/zinc/55/85/45/344558545.db2.gz CUHUIBKRIMMQBV-MNTZLAJPSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)n1cnnc1CC1CCCC1 228227835 344559283 /nfs/dbraw/zinc/55/92/83/344559283.db2.gz JIGPIBBRJWUURK-UHFFFAOYSA-N 0 0 193.294 2.592 10 0 AFAERN CC(C)n1cnnc1-c1ccsc1 228227011 344559318 /nfs/dbraw/zinc/55/93/18/344559318.db2.gz IJNPYEMGOBZAGY-UHFFFAOYSA-N 0 0 193.275 2.588 10 0 AFAERN CC(C)n1cnnc1C1(C)CCCC1 228227312 344559347 /nfs/dbraw/zinc/55/93/47/344559347.db2.gz KKXDKKIGMDSKDL-UHFFFAOYSA-N 0 0 193.294 2.691 10 0 AFAERN CC(C)n1cnnc1C1CCCCC1 228227471 344559362 /nfs/dbraw/zinc/55/93/62/344559362.db2.gz ICVHFYCCHJPHTJ-UHFFFAOYSA-N 0 0 193.294 2.907 10 0 AFAERN CC(C)n1cnnc1C1CCCC1 228228091 344559878 /nfs/dbraw/zinc/55/98/78/344559878.db2.gz SKDXXTSIXXRUGH-UHFFFAOYSA-N 0 0 179.267 2.517 10 0 AFAERN CC(C)[C@H](C)c1nncn1C(C)(C)C 228232382 344559752 /nfs/dbraw/zinc/55/97/52/344559752.db2.gz KYTNPHRSJDQAAM-VIFPVBQESA-N 0 0 195.310 2.793 10 0 AFAERN CC(C)[C@@H](C)c1nncn1C(C)C 228229160 344559784 /nfs/dbraw/zinc/55/97/84/344559784.db2.gz AYFISLGMVISITD-SECBINFHSA-N 0 0 181.283 2.619 10 0 AFAERN CCC(C)(C)c1nncn1C(C)(C)C 228231156 344559802 /nfs/dbraw/zinc/55/98/02/344559802.db2.gz JDVSZOLNEVEJNL-UHFFFAOYSA-N 0 0 195.310 2.721 10 0 AFAERN CC(C)[C@H](C)c1nncn1C(C)C 228229170 344559820 /nfs/dbraw/zinc/55/98/20/344559820.db2.gz AYFISLGMVISITD-VIFPVBQESA-N 0 0 181.283 2.619 10 0 AFAERN CC[C@@H](C)c1nncn1C(C)(C)C 228231578 344559835 /nfs/dbraw/zinc/55/98/35/344559835.db2.gz WYBOVKHLRGDYNR-MRVPVSSYSA-N 0 0 181.283 2.547 10 0 AFAERN CC(C)[C@@H](C)c1nncn1C(C)(C)C 228232378 344559877 /nfs/dbraw/zinc/55/98/77/344559877.db2.gz KYTNPHRSJDQAAM-SECBINFHSA-N 0 0 195.310 2.793 10 0 AFAERN CC[C@H](C)c1nncn1C(C)(C)C 228231588 344559868 /nfs/dbraw/zinc/55/98/68/344559868.db2.gz WYBOVKHLRGDYNR-QMMMGPOBSA-N 0 0 181.283 2.547 10 0 AFAERN CCn1cnnc1C1CCCCCC1 228233754 344559914 /nfs/dbraw/zinc/55/99/14/344559914.db2.gz RYNZNXGPXQSQSN-UHFFFAOYSA-N 0 0 193.294 2.736 10 0 AFAERN CCCn1cnnc1C1CCCCC1 228235315 344560269 /nfs/dbraw/zinc/56/02/69/344560269.db2.gz NKSQKYLTMBXGEP-UHFFFAOYSA-N 0 0 193.294 2.736 10 0 AFAERN CCCn1cnnc1C1(C)CCCC1 228235146 344560294 /nfs/dbraw/zinc/56/02/94/344560294.db2.gz JQADKYNLDYRPEX-UHFFFAOYSA-N 0 0 193.294 2.520 10 0 AFAERN CCn1cnnc1C1(CC)CCCC1 228234228 344560331 /nfs/dbraw/zinc/56/03/31/344560331.db2.gz SJUYUQBVNOQDHF-UHFFFAOYSA-N 0 0 193.294 2.520 10 0 AFAERN Cn1cnnc1C1CCCCCCC1 228238074 344560878 /nfs/dbraw/zinc/56/08/78/344560878.db2.gz PRTWTSZHSUQOSU-UHFFFAOYSA-N 0 0 193.294 2.643 10 0 AFAERN CC[C@@H]1CCC[C@H]([C@@H](O)C(F)F)C1 228326817 344561178 /nfs/dbraw/zinc/56/11/78/344561178.db2.gz QSXMAWQWQIKMMY-HRDYMLBCSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@@H]1CCC[C@@H]([C@@H](O)C(F)F)C1 228326831 344561495 /nfs/dbraw/zinc/56/14/95/344561495.db2.gz QSXMAWQWQIKMMY-IWSPIJDZSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)N(C)c1cc(Cl)ccc1N 228405049 344561846 /nfs/dbraw/zinc/56/18/46/344561846.db2.gz UFBBDNWTVWNTDJ-UHFFFAOYSA-N 0 0 198.697 2.767 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1cc(Cl)ccc1N 228410222 344561798 /nfs/dbraw/zinc/56/17/98/344561798.db2.gz LXSKIOWFSVRNJA-MUWHJKNJSA-N 0 0 196.681 2.743 10 0 AFAERN CN(c1cc(Cl)ccc1N)C1CC1 228406159 344561860 /nfs/dbraw/zinc/56/18/60/344561860.db2.gz GNDBOUJMFFNFFY-UHFFFAOYSA-N 0 0 196.681 2.521 10 0 AFAERN C[C@H]1C[C@@H]1Nc1cc(Cl)ccc1N 228410233 344561880 /nfs/dbraw/zinc/56/18/80/344561880.db2.gz LXSKIOWFSVRNJA-RCOVLWMOSA-N 0 0 196.681 2.743 10 0 AFAERN Clc1ccc2c(c1)NC1(CC1)CN2 228432035 344561928 /nfs/dbraw/zinc/56/19/28/344561928.db2.gz QDGMXRVBOHCLJQ-UHFFFAOYSA-N 0 0 194.665 2.710 10 0 AFAERN C[C@H]1C[C@H]1Nc1cc(Cl)ccc1N 228410250 344561955 /nfs/dbraw/zinc/56/19/55/344561955.db2.gz LXSKIOWFSVRNJA-IMTBSYHQSA-N 0 0 196.681 2.743 10 0 AFAERN CC[C@H](C)Nc1nc(Cl)ccc1N 228439247 344561994 /nfs/dbraw/zinc/56/19/94/344561994.db2.gz GFJPHMDYDZUVTO-LURJTMIESA-N 0 0 199.685 2.528 10 0 AFAERN Nc1ccc(Cl)cc1NCC1CC1 228405329 344562040 /nfs/dbraw/zinc/56/20/40/344562040.db2.gz DMZCPESSINOEDV-UHFFFAOYSA-N 0 0 196.681 2.744 10 0 AFAERN C[C@@H]1C[C@H]1Nc1cc(Cl)ccc1N 228410239 344562074 /nfs/dbraw/zinc/56/20/74/344562074.db2.gz LXSKIOWFSVRNJA-HZGVNTEJSA-N 0 0 196.681 2.743 10 0 AFAERN CC[C@@H](C)Nc1nc(Cl)ccc1N 228439236 344562112 /nfs/dbraw/zinc/56/21/12/344562112.db2.gz GFJPHMDYDZUVTO-ZCFIWIBFSA-N 0 0 199.685 2.528 10 0 AFAERN CC(C)(C)Nc1nc(Cl)ccc1N 228439674 344562116 /nfs/dbraw/zinc/56/21/16/344562116.db2.gz UNQBIFVIHNIXPG-UHFFFAOYSA-N 0 0 199.685 2.528 10 0 AFAERN C[C@@H](Nc1cccc(F)c1)C(F)F 228480666 344562438 /nfs/dbraw/zinc/56/24/38/344562438.db2.gz HZPMMXJQXXGOSR-ZCFIWIBFSA-N 0 0 189.180 2.891 10 0 AFAERN C[C@H](Nc1ccc(F)cc1)C(F)F 228480904 344562443 /nfs/dbraw/zinc/56/24/43/344562443.db2.gz IKTZJFRQWIQPRD-LURJTMIESA-N 0 0 189.180 2.891 10 0 AFAERN C[C@H](Nc1cccc(F)c1)C(F)F 228480672 344562452 /nfs/dbraw/zinc/56/24/52/344562452.db2.gz HZPMMXJQXXGOSR-LURJTMIESA-N 0 0 189.180 2.891 10 0 AFAERN C[C@@H](NC1C(C)(C)C1(C)C)C(F)F 228516829 344562950 /nfs/dbraw/zinc/56/29/50/344562950.db2.gz MTBPIHWWPRHXGI-ZCFIWIBFSA-N 0 0 191.265 2.664 10 0 AFAERN C[C@H](Nc1ccsc1)C(F)F 228516143 344563128 /nfs/dbraw/zinc/56/31/28/344563128.db2.gz GWAMUAQGRPHKKO-YFKPBYRVSA-N 0 0 177.219 2.814 10 0 AFAERN C[C@@H](Nc1ccsc1)C(F)F 228516136 344563192 /nfs/dbraw/zinc/56/31/92/344563192.db2.gz GWAMUAQGRPHKKO-RXMQYKEDSA-N 0 0 177.219 2.814 10 0 AFAERN C[C@H](NC1C(C)(C)C1(C)C)C(F)F 228516834 344563265 /nfs/dbraw/zinc/56/32/65/344563265.db2.gz MTBPIHWWPRHXGI-LURJTMIESA-N 0 0 191.265 2.664 10 0 AFAERN CC(C)[C@H](NN)[C@@H]1CC[C@@H](C)[C@@H](C)C1 228699965 344566529 /nfs/dbraw/zinc/56/65/29/344566529.db2.gz OHXGRYWJFFRGLA-KXNHARMFSA-N 0 0 198.354 2.547 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@@H](NN)C(C)(C)C)C1 228726499 344567424 /nfs/dbraw/zinc/56/74/24/344567424.db2.gz GQEVWLVSJDOESD-GMTAPVOTSA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@H]1CCC[C@@]1(O)C(C)(C)C 229693820 344611856 /nfs/dbraw/zinc/61/18/56/344611856.db2.gz RQIVNNHFVNIDSO-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ncccc1Cl 228767254 344567886 /nfs/dbraw/zinc/56/78/86/344567886.db2.gz MSYMVLXLKYBXIJ-APPZFPTMSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ncccc1Cl 228767262 344567888 /nfs/dbraw/zinc/56/78/88/344567888.db2.gz MSYMVLXLKYBXIJ-CBAPKCEASA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ncccc1Cl 228767281 344567951 /nfs/dbraw/zinc/56/79/51/344567951.db2.gz MSYMVLXLKYBXIJ-IONNQARKSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ncccc1Cl 228767270 344568010 /nfs/dbraw/zinc/56/80/10/344568010.db2.gz MSYMVLXLKYBXIJ-VXNVDRBHSA-N 0 0 196.681 2.945 10 0 AFAERN CSc1ccccc1[C@H](O)C1CC1 228789633 344568843 /nfs/dbraw/zinc/56/88/43/344568843.db2.gz LSQDFMILHUTPOC-LLVKDONJSA-N 0 0 194.299 2.852 10 0 AFAERN Cc1cc(Cl)ccc1[C@H]1CO1 228788284 344569199 /nfs/dbraw/zinc/56/91/99/344569199.db2.gz HHTMTABPGKRBHG-SECBINFHSA-N 0 0 168.623 2.720 10 0 AFAERN CSc1ccccc1[C@@H](O)C1CC1 228789622 344569211 /nfs/dbraw/zinc/56/92/11/344569211.db2.gz LSQDFMILHUTPOC-NSHDSACASA-N 0 0 194.299 2.852 10 0 AFAERN CC1(Nc2c(N)cccc2Cl)CC1 228828653 344569395 /nfs/dbraw/zinc/56/93/95/344569395.db2.gz YITDZWYPGNDNDZ-UHFFFAOYSA-N 0 0 196.681 2.887 10 0 AFAERN CC1(Nc2cccc(Cl)c2N)CC1 228830192 344569411 /nfs/dbraw/zinc/56/94/11/344569411.db2.gz ODAABQDALBSJPQ-UHFFFAOYSA-N 0 0 196.681 2.887 10 0 AFAERN Cc1ccc(NC2(C)CC2)c(N)c1 228828903 344569426 /nfs/dbraw/zinc/56/94/26/344569426.db2.gz ATDCOCBPTRGCHG-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CC1(Nc2cccc(N)c2)CCC1 228831515 344569435 /nfs/dbraw/zinc/56/94/35/344569435.db2.gz QBCBQZNRRHGTCA-UHFFFAOYSA-N 0 0 176.263 2.623 10 0 AFAERN Cc1c(N)cccc1NC1(C)CC1 228828419 344569455 /nfs/dbraw/zinc/56/94/55/344569455.db2.gz IRVAQXAGSVPPFZ-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN Cc1cc(NC2(C)CCC2)ccc1N 228831228 344569491 /nfs/dbraw/zinc/56/94/91/344569491.db2.gz HRRPATDSVCBCLF-UHFFFAOYSA-N 0 0 190.290 2.932 10 0 AFAERN Cc1cc(N)cc(NC2(C)CC2)c1 228828755 344569509 /nfs/dbraw/zinc/56/95/09/344569509.db2.gz PGQQEEJTFKZQRI-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN Cc1cccc(N)c1NC1(C)CC1 228830245 344569534 /nfs/dbraw/zinc/56/95/34/344569534.db2.gz JJFVNDZZQCEIMF-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CC1(Nc2ccc(Cl)cc2N)CC1 228829657 344569537 /nfs/dbraw/zinc/56/95/37/344569537.db2.gz MTCVQGQKODVAHA-UHFFFAOYSA-N 0 0 196.681 2.887 10 0 AFAERN CC1(Nc2cc(Cl)ccc2N)CC1 228829237 344569558 /nfs/dbraw/zinc/56/95/58/344569558.db2.gz XDDGFHQWYJSBEV-UHFFFAOYSA-N 0 0 196.681 2.887 10 0 AFAERN Cc1cc(NC2(C)CC2)ccc1N 228829577 344569600 /nfs/dbraw/zinc/56/96/00/344569600.db2.gz MYHMZWOWZIKTKU-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CC1(Nc2ccc(F)cc2N)CCC1 228830337 344569625 /nfs/dbraw/zinc/56/96/25/344569625.db2.gz VNNLAHSKQBTQNC-UHFFFAOYSA-N 0 0 194.253 2.762 10 0 AFAERN Cc1cc(N)ccc1NC1(C)CC1 228828694 344569649 /nfs/dbraw/zinc/56/96/49/344569649.db2.gz BXQKZGODJHBPQB-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN Cc1ccc(N)cc1NC1(C)CC1 228830152 344569658 /nfs/dbraw/zinc/56/96/58/344569658.db2.gz HNOIMSVBWOZNPA-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CC1(Nc2ccc(N)cc2Cl)CC1 228828999 344569705 /nfs/dbraw/zinc/56/97/05/344569705.db2.gz MASFXROAXOPBOC-UHFFFAOYSA-N 0 0 196.681 2.887 10 0 AFAERN CC1(Nc2ncccc2Cl)CC1 228883714 344572848 /nfs/dbraw/zinc/57/28/48/344572848.db2.gz BYIFHTTXCSAOIE-UHFFFAOYSA-N 0 0 182.654 2.699 10 0 AFAERN CC1(Nc2ncccc2F)CCC1 228889062 344573335 /nfs/dbraw/zinc/57/33/35/344573335.db2.gz QNNQVBDVLUXONA-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN Cc1cccnc1NC1(C)CCC1 228888318 344573356 /nfs/dbraw/zinc/57/33/56/344573356.db2.gz DBGGTFNYMYALCT-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN CC1(Nc2ccncc2Cl)CC1 228887774 344573430 /nfs/dbraw/zinc/57/34/30/344573430.db2.gz RIGHPXRHXXGTIB-UHFFFAOYSA-N 0 0 182.654 2.699 10 0 AFAERN CC1(Nc2ccc(Cl)cn2)CC1 228886817 344573487 /nfs/dbraw/zinc/57/34/87/344573487.db2.gz SAELOYQRPADFLV-UHFFFAOYSA-N 0 0 182.654 2.699 10 0 AFAERN Cc1cccc(NC2(C)CCC2)n1 228889559 344573513 /nfs/dbraw/zinc/57/35/13/344573513.db2.gz VROXRBORIVGISU-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN Cc1nc(NC2(C)CC2)sc1C 228885353 344573568 /nfs/dbraw/zinc/57/35/68/344573568.db2.gz PAVADGCJEKJNSC-UHFFFAOYSA-N 0 0 182.292 2.724 10 0 AFAERN Cc1ccnc(NC2(C)CCC2)c1 228888784 344573627 /nfs/dbraw/zinc/57/36/27/344573627.db2.gz IBNVRVHPUZYAKL-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN CC1(Nc2ncc(F)cc2F)CCC1 228889231 344573714 /nfs/dbraw/zinc/57/37/14/344573714.db2.gz ACZYJMIMVIYOJH-UHFFFAOYSA-N 0 0 198.216 2.714 10 0 AFAERN Cc1csc(NC2(C)CCC2)n1 228890229 344573857 /nfs/dbraw/zinc/57/38/57/344573857.db2.gz IXOWQOYJQVDUDG-UHFFFAOYSA-N 0 0 182.292 2.806 10 0 AFAERN CC1(Nc2cccc(F)n2)CCC1 228911062 344574834 /nfs/dbraw/zinc/57/48/34/344574834.db2.gz SFBWLVAAESGIHQ-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN CC(C)=CCNc1cc(C)cc(N)c1 228921325 344574836 /nfs/dbraw/zinc/57/48/36/344574836.db2.gz WTDPRQJQOZKPMX-UHFFFAOYSA-N 0 0 190.290 2.955 10 0 AFAERN CC(C)=CCNc1cc(F)ccc1N 228915565 344574858 /nfs/dbraw/zinc/57/48/58/344574858.db2.gz BHZWXLAYVANTLV-UHFFFAOYSA-N 0 0 194.253 2.786 10 0 AFAERN CC(C)=CCNc1cccc(C)c1N 228909088 344574868 /nfs/dbraw/zinc/57/48/68/344574868.db2.gz QCNXQRJDYZLOOI-UHFFFAOYSA-N 0 0 190.290 2.955 10 0 AFAERN CC(C)=CCNc1cccc(N)c1 228913324 344574875 /nfs/dbraw/zinc/57/48/75/344574875.db2.gz UHDXAVZMISNNCS-UHFFFAOYSA-N 0 0 176.263 2.647 10 0 AFAERN CC1(Nc2cccc(Cl)n2)CC1 228910281 344574888 /nfs/dbraw/zinc/57/48/88/344574888.db2.gz SQMXHGISUUBJMC-UHFFFAOYSA-N 0 0 182.654 2.699 10 0 AFAERN CC(C)=CCNc1ccccc1N 228910326 344574900 /nfs/dbraw/zinc/57/49/00/344574900.db2.gz VQCYBTHFWZUURZ-UHFFFAOYSA-N 0 0 176.263 2.647 10 0 AFAERN CC(C)c1c[nH]c(=S)n1C1(C)CC1 228909361 344575095 /nfs/dbraw/zinc/57/50/95/344575095.db2.gz DKIIIYDGMBNZBJ-UHFFFAOYSA-N 0 0 196.319 2.804 10 0 AFAERN CCc1c[nH]c(=S)n1C1(C)CCC1 228909489 344575108 /nfs/dbraw/zinc/57/51/08/344575108.db2.gz DGTJPMBHFSOSCR-UHFFFAOYSA-N 0 0 196.319 2.633 10 0 AFAERN CC1(Nc2ccnc(F)c2)CCC1 228910879 344575185 /nfs/dbraw/zinc/57/51/85/344575185.db2.gz RHODULSMPBLNDG-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN CC(C)c1nnc(Cl)n1C1(C)CC1 228926622 344575416 /nfs/dbraw/zinc/57/54/16/344575416.db2.gz HPSNVRQWNXNWAX-UHFFFAOYSA-N 0 0 199.685 2.564 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1nc(C)c(C)s1 229053143 344580952 /nfs/dbraw/zinc/58/09/52/344580952.db2.gz KVIWOXQHFCNARQ-IUCAKERBSA-N 0 0 196.319 2.970 10 0 AFAERN Cc1ncc(NCC(C)(C)C)nc1C 229052777 344581001 /nfs/dbraw/zinc/58/10/01/344581001.db2.gz BVSXIFQHZOEJNK-UHFFFAOYSA-N 0 0 193.294 2.551 10 0 AFAERN CCc1csc(N[C@@H]2C[C@@H]2CC)n1 229053031 344581007 /nfs/dbraw/zinc/58/10/07/344581007.db2.gz VPXWUPFJRJKKPH-IONNQARKSA-N 0 0 196.319 2.916 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1nc(C)c(C)s1 229053153 344581072 /nfs/dbraw/zinc/58/10/72/344581072.db2.gz KVIWOXQHFCNARQ-RKDXNWHRSA-N 0 0 196.319 2.970 10 0 AFAERN CCc1csc(N[C@H]2C[C@@H]2CC)n1 229053043 344581087 /nfs/dbraw/zinc/58/10/87/344581087.db2.gz VPXWUPFJRJKKPH-CBAPKCEASA-N 0 0 196.319 2.916 10 0 AFAERN CC[C@H]1C[C@H]1Nc1nc(C)c(C)s1 229053168 344581116 /nfs/dbraw/zinc/58/11/16/344581116.db2.gz KVIWOXQHFCNARQ-DTWKUNHWSA-N 0 0 196.319 2.970 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1nc(C)c(C)s1 229053127 344581146 /nfs/dbraw/zinc/58/11/46/344581146.db2.gz KVIWOXQHFCNARQ-BDAKNGLRSA-N 0 0 196.319 2.970 10 0 AFAERN CCc1csc(N[C@H]2C[C@H]2CC)n1 229053063 344581199 /nfs/dbraw/zinc/58/11/99/344581199.db2.gz VPXWUPFJRJKKPH-APPZFPTMSA-N 0 0 196.319 2.916 10 0 AFAERN CCC(C)(C)Nc1cnc(C)c(C)n1 229070865 344581617 /nfs/dbraw/zinc/58/16/17/344581617.db2.gz TVEDMPJQOBPRFA-UHFFFAOYSA-N 0 0 193.294 2.694 10 0 AFAERN Nc1ccccc1NCCC1CCC1 229073427 344581689 /nfs/dbraw/zinc/58/16/89/344581689.db2.gz BSSLPUHZRRTFTJ-UHFFFAOYSA-N 0 0 190.290 2.871 10 0 AFAERN Cc1cccnc1NCCC1CCC1 229121029 344583014 /nfs/dbraw/zinc/58/30/14/344583014.db2.gz YOBFBVUARKJLCC-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN Cc1cn(CCC2CCC2)c(=S)[nH]1 229130812 344583116 /nfs/dbraw/zinc/58/31/16/344583116.db2.gz DPZYREJWOMIOLF-UHFFFAOYSA-N 0 0 196.319 2.670 10 0 AFAERN CC(C)(C)CNc1cnnc(Cl)c1 229124239 344583167 /nfs/dbraw/zinc/58/31/67/344583167.db2.gz GXTMFXDNFFLAFC-UHFFFAOYSA-N 0 0 199.685 2.588 10 0 AFAERN CC(C)[C@@H](C)Nc1cnnc(Cl)c1 229122238 344583181 /nfs/dbraw/zinc/58/31/81/344583181.db2.gz MQXATRSPCRDPHL-SSDOTTSWSA-N 0 0 199.685 2.586 10 0 AFAERN CC(C)[C@H](C)Nc1cnnc(Cl)c1 229122253 344583183 /nfs/dbraw/zinc/58/31/83/344583183.db2.gz MQXATRSPCRDPHL-ZETCQYMHSA-N 0 0 199.685 2.586 10 0 AFAERN c1ccn(CCC2CCC2)c1 229132490 344583223 /nfs/dbraw/zinc/58/32/23/344583223.db2.gz CFYCQJGMAKIAGP-UHFFFAOYSA-N 0 0 149.237 2.678 10 0 AFAERN CC(C)=CCNc1nc(C)cs1 229213984 344586170 /nfs/dbraw/zinc/58/61/70/344586170.db2.gz CRSQMLNZLMSXBC-UHFFFAOYSA-N 0 0 182.292 2.830 10 0 AFAERN CC[C@@H](O)c1cccc(F)c1Cl 229245670 344587862 /nfs/dbraw/zinc/58/78/62/344587862.db2.gz ACFHEZGRNIWZLN-MRVPVSSYSA-N 0 0 188.629 2.923 10 0 AFAERN CC[C@@H](C)C(=O)c1coc(C)c1 229249481 344587928 /nfs/dbraw/zinc/58/79/28/344587928.db2.gz GHXPOQPEKGRHQV-SSDOTTSWSA-N 0 0 166.220 2.817 10 0 AFAERN CC[C@H](O)c1cccc(F)c1Cl 229245676 344587932 /nfs/dbraw/zinc/58/79/32/344587932.db2.gz ACFHEZGRNIWZLN-QMMMGPOBSA-N 0 0 188.629 2.923 10 0 AFAERN CC[C@H](C)C(=O)c1coc(C)c1 229249491 344587954 /nfs/dbraw/zinc/58/79/54/344587954.db2.gz GHXPOQPEKGRHQV-ZETCQYMHSA-N 0 0 166.220 2.817 10 0 AFAERN C[C@H]1Cc2c(ccc(Cl)c2F)C1=O 229251301 344588037 /nfs/dbraw/zinc/58/80/37/344588037.db2.gz FGDGSDRDWXSEHD-YFKPBYRVSA-N 0 0 198.624 2.854 10 0 AFAERN C[C@@H]1Cc2c(ccc(Cl)c2F)C1=O 229251287 344588057 /nfs/dbraw/zinc/58/80/57/344588057.db2.gz FGDGSDRDWXSEHD-RXMQYKEDSA-N 0 0 198.624 2.854 10 0 AFAERN Nc1nccc2c(F)c(Cl)ccc12 229266803 344588413 /nfs/dbraw/zinc/58/84/13/344588413.db2.gz BOWJLNXXQSRUGH-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Cc1ccc2nc(C)[nH]c(=S)c2c1 229303394 344590255 /nfs/dbraw/zinc/59/02/55/344590255.db2.gz WMYFIBAYQZMYGY-UHFFFAOYSA-N 0 0 190.271 2.535 10 0 AFAERN CCc1ccc2c[nH]c(=O)cc2c1 229306390 344590278 /nfs/dbraw/zinc/59/02/78/344590278.db2.gz FPQRNXOKEMDGOC-UHFFFAOYSA-N 0 0 173.215 2.503 10 0 AFAERN C/C=C/CCNc1ccnc(F)c1 229323719 344591436 /nfs/dbraw/zinc/59/14/36/344591436.db2.gz JIZODFGIPKLKOH-NSCUHMNNSA-N 0 0 180.226 2.599 10 0 AFAERN CC(C)=CCNc1ccnc(F)c1 229352024 344591937 /nfs/dbraw/zinc/59/19/37/344591937.db2.gz RADRCHGTMZDXIK-UHFFFAOYSA-N 0 0 180.226 2.599 10 0 AFAERN CCC(C)(C)CNc1ccccn1 229342147 344592221 /nfs/dbraw/zinc/59/22/21/344592221.db2.gz DVRMVWWUPWRCRO-UHFFFAOYSA-N 0 0 178.279 2.930 10 0 AFAERN CC[C@]1(C)CNc2ccccc2O1 229357990 344592479 /nfs/dbraw/zinc/59/24/79/344592479.db2.gz JFWUMYBJHPDJTN-LLVKDONJSA-N 0 0 177.247 2.660 10 0 AFAERN CC[C@@]1(C)CNc2cc(C)ccc2O1 229358707 344592635 /nfs/dbraw/zinc/59/26/35/344592635.db2.gz WVOZYDALIMOFDT-LBPRGKRZSA-N 0 0 191.274 2.968 10 0 AFAERN CC[C@@]1(C)CNc2ccccc2O1 229357977 344592640 /nfs/dbraw/zinc/59/26/40/344592640.db2.gz JFWUMYBJHPDJTN-NSHDSACASA-N 0 0 177.247 2.660 10 0 AFAERN CC[C@]1(C)CNc2cc(C)ccc2O1 229358718 344592713 /nfs/dbraw/zinc/59/27/13/344592713.db2.gz WVOZYDALIMOFDT-GFCCVEGCSA-N 0 0 191.274 2.968 10 0 AFAERN C[C@H](O)CC[C@@H]1CCC2(CCCC2)O1 229382831 344593157 /nfs/dbraw/zinc/59/31/57/344593157.db2.gz ODVWFUMBSCWBBB-WDEREUQCSA-N 0 0 198.306 2.639 10 0 AFAERN C[C@@H](O)CC[C@@H]1CCC2(CCCC2)O1 229382820 344593217 /nfs/dbraw/zinc/59/32/17/344593217.db2.gz ODVWFUMBSCWBBB-GHMZBOCLSA-N 0 0 198.306 2.639 10 0 AFAERN C[C@@H](O)CC[C@H]1CCC2(CCCC2)O1 229382843 344593235 /nfs/dbraw/zinc/59/32/35/344593235.db2.gz ODVWFUMBSCWBBB-MNOVXSKESA-N 0 0 198.306 2.639 10 0 AFAERN CC(C)[C@H](C)[C@H](O)c1ccoc1 229491829 344597695 /nfs/dbraw/zinc/59/76/95/344597695.db2.gz IFOLWCQAXXRJGN-WPRPVWTQSA-N 0 0 168.236 2.605 10 0 AFAERN CC1(C(=O)C2CC2)CCCCC1 229488269 344597720 /nfs/dbraw/zinc/59/77/20/344597720.db2.gz QOUMBPMFZIYJNR-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)[C@@H](C)[C@H](O)c1ccoc1 229491818 344597842 /nfs/dbraw/zinc/59/78/42/344597842.db2.gz IFOLWCQAXXRJGN-SCZZXKLOSA-N 0 0 168.236 2.605 10 0 AFAERN CC(C)[C@@H](C)[C@@H](O)c1ccoc1 229491805 344597892 /nfs/dbraw/zinc/59/78/92/344597892.db2.gz IFOLWCQAXXRJGN-PSASIEDQSA-N 0 0 168.236 2.605 10 0 AFAERN CCC(=O)c1ccc(Cl)o1 229488316 344598028 /nfs/dbraw/zinc/59/80/28/344598028.db2.gz YDJBPRJEPFZVSO-UHFFFAOYSA-N 0 0 158.584 2.526 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)c1ccoc1 229491810 344598034 /nfs/dbraw/zinc/59/80/34/344598034.db2.gz IFOLWCQAXXRJGN-WCBMZHEXSA-N 0 0 168.236 2.605 10 0 AFAERN Cc1cc(C)c2c(c1C)C(=O)CC2 229489039 344598083 /nfs/dbraw/zinc/59/80/83/344598083.db2.gz OJIBAHULEFBSMS-UHFFFAOYSA-N 0 0 174.243 2.741 10 0 AFAERN CC1(C)C([C@@H](O)c2ccco2)C1(C)C 229500289 344598780 /nfs/dbraw/zinc/59/87/80/344598780.db2.gz AKRHCXZDUNINLE-VIFPVBQESA-N 0 0 194.274 2.995 10 0 AFAERN CC1(C)C([C@H](O)c2ccco2)C1(C)C 229500298 344598875 /nfs/dbraw/zinc/59/88/75/344598875.db2.gz AKRHCXZDUNINLE-SECBINFHSA-N 0 0 194.274 2.995 10 0 AFAERN CC1([C@@H](O)c2ccco2)CCCC1 229502093 344598930 /nfs/dbraw/zinc/59/89/30/344598930.db2.gz QXUMUTMMYCRWQQ-JTQLQIEISA-N 0 0 180.247 2.893 10 0 AFAERN CCC1(Nc2nc(C)ns2)CCC1 229510744 344599370 /nfs/dbraw/zinc/59/93/70/344599370.db2.gz DGCQFHSJOFMWNV-UHFFFAOYSA-N 0 0 197.307 2.591 10 0 AFAERN CCC1(Nc2nccs2)CCC1 229510523 344599447 /nfs/dbraw/zinc/59/94/47/344599447.db2.gz KXEMGZNFWRFSTF-UHFFFAOYSA-N 0 0 182.292 2.888 10 0 AFAERN CCC1(Nc2ccc(C)nn2)CCC1 229512583 344599641 /nfs/dbraw/zinc/59/96/41/344599641.db2.gz HMBFYYXHFJBORA-UHFFFAOYSA-N 0 0 191.278 2.530 10 0 AFAERN CCC1(Nc2ccccn2)CCC1 229510538 344599687 /nfs/dbraw/zinc/59/96/87/344599687.db2.gz QEIJDAZSHSDPOO-UHFFFAOYSA-N 0 0 176.263 2.826 10 0 AFAERN CCC1(n2cc(C)[nH]c2=S)CCC1 229533264 344600601 /nfs/dbraw/zinc/60/06/01/344600601.db2.gz SZSHQJNKRBLXMP-UHFFFAOYSA-N 0 0 196.319 2.769 10 0 AFAERN CC[C@H](C)Nc1cc(N)cc(Cl)n1 229524302 344600614 /nfs/dbraw/zinc/60/06/14/344600614.db2.gz PVAUODGRCYNZRV-LURJTMIESA-N 0 0 199.685 2.528 10 0 AFAERN CC[C@@H](C)Nc1cc(N)cc(Cl)n1 229524294 344600711 /nfs/dbraw/zinc/60/07/11/344600711.db2.gz PVAUODGRCYNZRV-ZCFIWIBFSA-N 0 0 199.685 2.528 10 0 AFAERN CCC1(n2c(C)c[nH]c2=S)CCC1 229533169 344600730 /nfs/dbraw/zinc/60/07/30/344600730.db2.gz XUUPOEPMSWGCER-UHFFFAOYSA-N 0 0 196.319 2.769 10 0 AFAERN Cc1ccoc1[C@@H]1N[C@@H](C)CCS1 229539100 344601440 /nfs/dbraw/zinc/60/14/40/344601440.db2.gz BKHKKUSHIPGPQZ-WCBMZHEXSA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@@H]1CS[C@H](c2occc2C)N1 229539212 344601456 /nfs/dbraw/zinc/60/14/56/344601456.db2.gz OYLCCWSSFRZERA-PSASIEDQSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccoc1[C@@H]1NC(C)(C)CS1 229539297 344601534 /nfs/dbraw/zinc/60/15/34/344601534.db2.gz DXNIFBZVOJJBIL-SECBINFHSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccoc1[C@@H]1NCC[C@H](C)S1 229539202 344601557 /nfs/dbraw/zinc/60/15/57/344601557.db2.gz RARYLMLBMQLBFL-WCBMZHEXSA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@H]1CS[C@H](c2occc2C)N1 229539220 344601565 /nfs/dbraw/zinc/60/15/65/344601565.db2.gz OYLCCWSSFRZERA-WCBMZHEXSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccoc1[C@@H]1NCC[C@@H](C)S1 229539197 344601598 /nfs/dbraw/zinc/60/15/98/344601598.db2.gz RARYLMLBMQLBFL-PSASIEDQSA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@@H]1CS[C@@H](c2occc2C)N1 229539228 344601632 /nfs/dbraw/zinc/60/16/32/344601632.db2.gz OYLCCWSSFRZERA-SCZZXKLOSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccoc1[C@@H]1NC[C@@H](C)CS1 229539149 344601641 /nfs/dbraw/zinc/60/16/41/344601641.db2.gz YYBYHNDQJKXGNG-GMSGAONNSA-N 0 0 197.303 2.559 10 0 AFAERN Cc1ccoc1[C@@H]1NC[C@H](C)CS1 229539160 344601662 /nfs/dbraw/zinc/60/16/62/344601662.db2.gz YYBYHNDQJKXGNG-OIBJUYFYSA-N 0 0 197.303 2.559 10 0 AFAERN Cc1ccoc1[C@H]1NC(C)(C)CS1 229539305 344601667 /nfs/dbraw/zinc/60/16/67/344601667.db2.gz DXNIFBZVOJJBIL-VIFPVBQESA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccoc1[C@H]1NC[C@H](C)CS1 229539142 344601687 /nfs/dbraw/zinc/60/16/87/344601687.db2.gz YYBYHNDQJKXGNG-XVKPBYJWSA-N 0 0 197.303 2.559 10 0 AFAERN Cc1ccoc1[C@H]1NCC[C@H](C)S1 229539186 344601718 /nfs/dbraw/zinc/60/17/18/344601718.db2.gz RARYLMLBMQLBFL-WPRPVWTQSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccoc1[C@H]1NC[C@@H](C)CS1 229539132 344601738 /nfs/dbraw/zinc/60/17/38/344601738.db2.gz YYBYHNDQJKXGNG-XCBNKYQSSA-N 0 0 197.303 2.559 10 0 AFAERN Cc1ccoc1[C@H]1N[C@@H](C)CCS1 229539121 344601793 /nfs/dbraw/zinc/60/17/93/344601793.db2.gz BKHKKUSHIPGPQZ-WPRPVWTQSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccoc1[C@H]1N[C@H](C)CCS1 229539111 344601806 /nfs/dbraw/zinc/60/18/06/344601806.db2.gz BKHKKUSHIPGPQZ-SCZZXKLOSA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@H]1CS[C@@H](c2occc2C)N1 229539238 344601811 /nfs/dbraw/zinc/60/18/11/344601811.db2.gz OYLCCWSSFRZERA-WPRPVWTQSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccoc1[C@@H]1N[C@H](C)CCS1 229539094 344601819 /nfs/dbraw/zinc/60/18/19/344601819.db2.gz BKHKKUSHIPGPQZ-PSASIEDQSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccoc1[C@H]1NCC[C@@H](C)S1 229539177 344601876 /nfs/dbraw/zinc/60/18/76/344601876.db2.gz RARYLMLBMQLBFL-SCZZXKLOSA-N 0 0 197.303 2.702 10 0 AFAERN CCC1(n2c(C)nnc2Cl)CCC1 229554688 344602705 /nfs/dbraw/zinc/60/27/05/344602705.db2.gz YNZAEBFRSUWXGY-UHFFFAOYSA-N 0 0 199.685 2.529 10 0 AFAERN C[C@H](Nc1ccsc1)[C@@H]1CCOC1 229639312 344608013 /nfs/dbraw/zinc/60/80/13/344608013.db2.gz UXDORNXHLFHLOH-DTWKUNHWSA-N 0 0 197.303 2.585 10 0 AFAERN C[C@@H](Nc1ccsc1)[C@@H]1CCOC1 229639307 344608114 /nfs/dbraw/zinc/60/81/14/344608114.db2.gz UXDORNXHLFHLOH-RKDXNWHRSA-N 0 0 197.303 2.585 10 0 AFAERN C[C@H](Nc1ccsc1)[C@H]1CCOC1 229639324 344608165 /nfs/dbraw/zinc/60/81/65/344608165.db2.gz UXDORNXHLFHLOH-IUCAKERBSA-N 0 0 197.303 2.585 10 0 AFAERN C[C@@H](Nc1ccsc1)[C@H]1CCOC1 229639318 344608275 /nfs/dbraw/zinc/60/82/75/344608275.db2.gz UXDORNXHLFHLOH-BDAKNGLRSA-N 0 0 197.303 2.585 10 0 AFAERN CC[C@H]1CCc2sc(NC)nc21 229645720 344608639 /nfs/dbraw/zinc/60/86/39/344608639.db2.gz ASQCJANREFOXSS-LURJTMIESA-N 0 0 182.292 2.625 10 0 AFAERN FC(F)(F)C1(NC2CCCC2)CC1 229646341 344608749 /nfs/dbraw/zinc/60/87/49/344608749.db2.gz FILZQZPEQKFGSJ-UHFFFAOYSA-N 0 0 193.212 2.614 10 0 AFAERN CC[C@@H]1CCC[C@]1(NC)C(F)(F)F 229667408 344610097 /nfs/dbraw/zinc/61/00/97/344610097.db2.gz ZYCSWPAQSKYCRB-HTQZYQBOSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@H]1CCC[C@]1(NC)C(F)(F)F 229667415 344610191 /nfs/dbraw/zinc/61/01/91/344610191.db2.gz ZYCSWPAQSKYCRB-JGVFFNPUSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@H]1CCc2sc(=S)[nH]c21 229668401 344610472 /nfs/dbraw/zinc/61/04/72/344610472.db2.gz JPXKKKMZDMITAN-YFKPBYRVSA-N 0 0 185.317 2.872 10 0 AFAERN CC[C@@H]1CCc2sc(=S)[nH]c21 229668393 344610557 /nfs/dbraw/zinc/61/05/57/344610557.db2.gz JPXKKKMZDMITAN-RXMQYKEDSA-N 0 0 185.317 2.872 10 0 AFAERN Cc1n[nH]c(C)c1N[C@@H](C)CC1CC1 229674082 344610962 /nfs/dbraw/zinc/61/09/62/344610962.db2.gz ZVCZNILZQXFFNP-ZETCQYMHSA-N 0 0 193.294 2.627 10 0 AFAERN Cc1n[nH]c(C)c1N[C@H](C)CC1CC1 229674089 344611090 /nfs/dbraw/zinc/61/10/90/344611090.db2.gz ZVCZNILZQXFFNP-SSDOTTSWSA-N 0 0 193.294 2.627 10 0 AFAERN CC[C@@H]1CCC[C@@]1(O)C(C)(C)C 229693814 344611926 /nfs/dbraw/zinc/61/19/26/344611926.db2.gz RQIVNNHFVNIDSO-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H]1CCC[C@@]1(O)Cc1ccco1 229698772 344612145 /nfs/dbraw/zinc/61/21/45/344612145.db2.gz HHHPIWNJFJXQIN-CMPLNLGQSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@@H]1CCC[C@@]1(O)Cc1ccco1 229698765 344612230 /nfs/dbraw/zinc/61/22/30/344612230.db2.gz HHHPIWNJFJXQIN-ZYHUDNBSSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@H]1CCC[C@]1(O)Cc1ccco1 229698780 344612240 /nfs/dbraw/zinc/61/22/40/344612240.db2.gz HHHPIWNJFJXQIN-JQWIXIFHSA-N 0 0 194.274 2.763 10 0 AFAERN CC1(C)C[C@H]1Nc1ccnc(Cl)c1 229717316 344612549 /nfs/dbraw/zinc/61/25/49/344612549.db2.gz LNZLICWLZWVIRZ-MRVPVSSYSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1ccnc(Cl)c1 229724430 344613034 /nfs/dbraw/zinc/61/30/34/344613034.db2.gz MAQLXGOXFHHVDN-SVRRBLITSA-N 0 0 182.654 2.555 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ccnc(Cl)c1 229726604 344613045 /nfs/dbraw/zinc/61/30/45/344613045.db2.gz VALJWPGNKQLKQG-APPZFPTMSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1C[C@@H]1Nc1ccnc(Cl)c1 229724437 344613093 /nfs/dbraw/zinc/61/30/93/344613093.db2.gz MAQLXGOXFHHVDN-XPUUQOCRSA-N 0 0 182.654 2.555 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccnc(Cl)c1 229726612 344613126 /nfs/dbraw/zinc/61/31/26/344613126.db2.gz VALJWPGNKQLKQG-CBAPKCEASA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccnc(Cl)c1 229726622 344613177 /nfs/dbraw/zinc/61/31/77/344613177.db2.gz VALJWPGNKQLKQG-VXNVDRBHSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CCCN1c1ccnc(Cl)c1 229734366 344613181 /nfs/dbraw/zinc/61/31/81/344613181.db2.gz BZYHLLCMAVXFMU-QMMMGPOBSA-N 0 0 196.681 2.724 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ccnc(Cl)c1 229726629 344613226 /nfs/dbraw/zinc/61/32/26/344613226.db2.gz VALJWPGNKQLKQG-IONNQARKSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CCCN1c1ccnc(Cl)c1 229734357 344613259 /nfs/dbraw/zinc/61/32/59/344613259.db2.gz BZYHLLCMAVXFMU-MRVPVSSYSA-N 0 0 196.681 2.724 10 0 AFAERN C[C@@H]1CCN(c2ccnc(Cl)c2)C1 229722169 344613316 /nfs/dbraw/zinc/61/33/16/344613316.db2.gz DVUCWADBCVTKTB-MRVPVSSYSA-N 0 0 196.681 2.581 10 0 AFAERN C[C@H]1CCN(c2ccnc(Cl)c2)C1 229722176 344613319 /nfs/dbraw/zinc/61/33/19/344613319.db2.gz DVUCWADBCVTKTB-QMMMGPOBSA-N 0 0 196.681 2.581 10 0 AFAERN C[C@@H]1C[C@H]1Nc1ccnc(Cl)c1 229724445 344613325 /nfs/dbraw/zinc/61/33/25/344613325.db2.gz MAQLXGOXFHHVDN-HTRCEHHLSA-N 0 0 182.654 2.555 10 0 AFAERN C[C@@](O)(CC1CC1)c1ccccc1F 229747278 344613430 /nfs/dbraw/zinc/61/34/30/344613430.db2.gz NFBVHQSWPKOYHR-GFCCVEGCSA-N 0 0 194.249 2.833 10 0 AFAERN C[C@](O)(CC1CC1)c1ccccc1F 229747289 344613458 /nfs/dbraw/zinc/61/34/58/344613458.db2.gz NFBVHQSWPKOYHR-LBPRGKRZSA-N 0 0 194.249 2.833 10 0 AFAERN CC(C)C[C@@](C)(O)c1ccco1 229741937 344613511 /nfs/dbraw/zinc/61/35/11/344613511.db2.gz BAWGPKRODXREGC-SNVBAGLBSA-N 0 0 168.236 2.533 10 0 AFAERN C[C@@](O)(CC1CC1)c1ccsc1 229748619 344613565 /nfs/dbraw/zinc/61/35/65/344613565.db2.gz ZAHBIFRWFJWTGR-SNVBAGLBSA-N 0 0 182.288 2.756 10 0 AFAERN CC(C)C[C@](C)(O)c1ccco1 229741943 344613589 /nfs/dbraw/zinc/61/35/89/344613589.db2.gz BAWGPKRODXREGC-JTQLQIEISA-N 0 0 168.236 2.533 10 0 AFAERN C[C@@](O)(CC1CC1)c1cccs1 229750256 344613884 /nfs/dbraw/zinc/61/38/84/344613884.db2.gz SRPICGBSJUQUHK-SNVBAGLBSA-N 0 0 182.288 2.756 10 0 AFAERN C[C@](O)(CC1CC1)c1cccs1 229750263 344613954 /nfs/dbraw/zinc/61/39/54/344613954.db2.gz SRPICGBSJUQUHK-JTQLQIEISA-N 0 0 182.288 2.756 10 0 AFAERN CC(C)c1c(N)n[nH]c1C1CCCC1 229818046 344616817 /nfs/dbraw/zinc/61/68/17/344616817.db2.gz UQEBLNLIJKOZCR-UHFFFAOYSA-N 0 0 193.294 2.773 10 0 AFAERN CC(C)c1c(N)n[nH]c1[C@H](C)C(C)C 229820706 344617262 /nfs/dbraw/zinc/61/72/62/344617262.db2.gz NUXITZGCOIGFNI-MRVPVSSYSA-N 0 0 195.310 2.875 10 0 AFAERN CC(C)c1c(N)n[nH]c1[C@@H](C)C1CC1 229822503 344617297 /nfs/dbraw/zinc/61/72/97/344617297.db2.gz IFOYWTVHYSJHQY-ZETCQYMHSA-N 0 0 193.294 2.629 10 0 AFAERN CC(C)c1c(N)n[nH]c1[C@H](C)C1CC1 229822512 344617325 /nfs/dbraw/zinc/61/73/25/344617325.db2.gz IFOYWTVHYSJHQY-SSDOTTSWSA-N 0 0 193.294 2.629 10 0 AFAERN CC(C)c1c(N)n[nH]c1[C@@H](C)C(C)C 229820711 344617382 /nfs/dbraw/zinc/61/73/82/344617382.db2.gz NUXITZGCOIGFNI-QMMMGPOBSA-N 0 0 195.310 2.875 10 0 AFAERN CC(C)c1onc(N)c1C(C)C 229856494 344618067 /nfs/dbraw/zinc/61/80/67/344618067.db2.gz TYMACIGLQWYPTL-UHFFFAOYSA-N 0 0 168.240 2.504 10 0 AFAERN CC(C)c1c(N)noc1C1CCC1 229859132 344618068 /nfs/dbraw/zinc/61/80/68/344618068.db2.gz ZBPDGTITAAJAMH-UHFFFAOYSA-N 0 0 180.251 2.648 10 0 AFAERN CC(C)c1c(N)noc1[C@@H]1C[C@H]1C 229857294 344618082 /nfs/dbraw/zinc/61/80/82/344618082.db2.gz FXXVRZPRKGIPDQ-RNFRBKRXSA-N 0 0 180.251 2.504 10 0 AFAERN CC(C)c1c(C2CCC2)noc1N 229852678 344618110 /nfs/dbraw/zinc/61/81/10/344618110.db2.gz YFFKCMXKRDVKNL-UHFFFAOYSA-N 0 0 180.251 2.648 10 0 AFAERN CC(C)Cc1noc(N)c1C(C)C 229852703 344618114 /nfs/dbraw/zinc/61/81/14/344618114.db2.gz VNFXAYJXAIVZHK-UHFFFAOYSA-N 0 0 182.267 2.579 10 0 AFAERN CC(C)c1c([C@@H]2C[C@@H]2C)noc1N 229851451 344618144 /nfs/dbraw/zinc/61/81/44/344618144.db2.gz UOWIOXRJQUIJJC-NKWVEPMBSA-N 0 0 180.251 2.504 10 0 AFAERN CC(C)c1c([C@H](C)C2CC2)noc1N 229848904 344618149 /nfs/dbraw/zinc/61/81/49/344618149.db2.gz RSAXPACQZGDJBI-SSDOTTSWSA-N 0 0 194.278 2.894 10 0 AFAERN CC(C)c1c([C@@H]2C[C@H]2C)noc1N 229851461 344618182 /nfs/dbraw/zinc/61/81/82/344618182.db2.gz UOWIOXRJQUIJJC-RNFRBKRXSA-N 0 0 180.251 2.504 10 0 AFAERN CC(C)c1c(N)noc1[C@H]1C[C@@H]1C 229857289 344618185 /nfs/dbraw/zinc/61/81/85/344618185.db2.gz FXXVRZPRKGIPDQ-BQBZGAKWSA-N 0 0 180.251 2.504 10 0 AFAERN CC(C)c1c([C@@H](C)C2CC2)noc1N 229848899 344618205 /nfs/dbraw/zinc/61/82/05/344618205.db2.gz RSAXPACQZGDJBI-ZETCQYMHSA-N 0 0 194.278 2.894 10 0 AFAERN CC(C)c1c(N)noc1C(C)(C)C 229858525 344618228 /nfs/dbraw/zinc/61/82/28/344618228.db2.gz WZIIYTJLMNDZGH-UHFFFAOYSA-N 0 0 182.267 2.678 10 0 AFAERN CC(C)c1c([C@H]2C[C@H]2C)noc1N 229851463 344618252 /nfs/dbraw/zinc/61/82/52/344618252.db2.gz UOWIOXRJQUIJJC-RQJHMYQMSA-N 0 0 180.251 2.504 10 0 AFAERN CC(C)c1c(CC(C)(C)C)noc1N 229849341 344618258 /nfs/dbraw/zinc/61/82/58/344618258.db2.gz PGFDYXNSAKQYIQ-UHFFFAOYSA-N 0 0 196.294 2.969 10 0 AFAERN CC(C)c1c(N)noc1[C@H]1C[C@H]1C 229857296 344618307 /nfs/dbraw/zinc/61/83/07/344618307.db2.gz FXXVRZPRKGIPDQ-RQJHMYQMSA-N 0 0 180.251 2.504 10 0 AFAERN CC(C)c1c([C@H]2C[C@@H]2C)noc1N 229851456 344618362 /nfs/dbraw/zinc/61/83/62/344618362.db2.gz UOWIOXRJQUIJJC-BQBZGAKWSA-N 0 0 180.251 2.504 10 0 AFAERN CC(C)c1c(N)noc1[C@@H]1C[C@@H]1C 229857283 344618372 /nfs/dbraw/zinc/61/83/72/344618372.db2.gz FXXVRZPRKGIPDQ-NKWVEPMBSA-N 0 0 180.251 2.504 10 0 AFAERN Cc1cc(C(C)C)nc(NC(C)C)n1 229926667 344620642 /nfs/dbraw/zinc/62/06/42/344620642.db2.gz NDVLBBGSXSAUFX-UHFFFAOYSA-N 0 0 193.294 2.729 10 0 AFAERN CC(=O)[C@@H]1CCC[C@H](C)[C@@H]1C 229947029 344620951 /nfs/dbraw/zinc/62/09/51/344620951.db2.gz FVPSRTDXWINHAQ-OYNCUSHFSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)CCc1sccc1Cl 229948350 344620970 /nfs/dbraw/zinc/62/09/70/344620970.db2.gz LZWJJIGUZMUQLX-UHFFFAOYSA-N 0 0 188.679 2.923 10 0 AFAERN CC(=O)[C@@H]1CCC[C@@H](C)[C@@H]1C 229947020 344621108 /nfs/dbraw/zinc/62/11/08/344621108.db2.gz FVPSRTDXWINHAQ-KHQFGBGNSA-N 0 0 154.253 2.648 10 0 AFAERN FCCNc1cc(F)cc(Cl)c1 230009637 344623173 /nfs/dbraw/zinc/62/31/73/344623173.db2.gz CZKCDHGRSMJZPV-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN Nc1ccnc2cc(F)cc(Cl)c12 230058232 344624997 /nfs/dbraw/zinc/62/49/97/344624997.db2.gz BKEDCCNSWCFYQZ-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1cc(F)cc(Cl)c1Cl 230065122 344625445 /nfs/dbraw/zinc/62/54/45/344625445.db2.gz GJZUZMUQPJOBCP-UHFFFAOYSA-N 0 0 180.009 2.715 10 0 AFAERN Nc1ccc2c(Cl)cc(F)cc2n1 230060456 344625517 /nfs/dbraw/zinc/62/55/17/344625517.db2.gz YXFPOMAXPYVEAD-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CC[C@@H](C)Cc1nc(Cl)ns1 230113365 344626528 /nfs/dbraw/zinc/62/65/28/344626528.db2.gz OMAVUQNMPYUDPM-RXMQYKEDSA-N 0 0 190.699 2.780 10 0 AFAERN CC[C@@H](C)c1nc(Cl)ns1 230114180 344626556 /nfs/dbraw/zinc/62/65/56/344626556.db2.gz GDVRYSMWDXSOQC-SCSAIBSYSA-N 0 0 176.672 2.705 10 0 AFAERN CC(C)(C)Cc1nc(Cl)ns1 230113646 344626626 /nfs/dbraw/zinc/62/66/26/344626626.db2.gz IDNIVGQSDWUZCE-UHFFFAOYSA-N 0 0 190.699 2.780 10 0 AFAERN CC(C)[C@H](C)c1nc(Cl)ns1 230113469 344626642 /nfs/dbraw/zinc/62/66/42/344626642.db2.gz WHEXQRIMOVYWGT-YFKPBYRVSA-N 0 0 190.699 2.951 10 0 AFAERN CCCCc1nc(Cl)ns1 230113193 344626654 /nfs/dbraw/zinc/62/66/54/344626654.db2.gz TZWGBUFXEIRUCM-UHFFFAOYSA-N 0 0 176.672 2.534 10 0 AFAERN CC(C)CCc1nc(Cl)ns1 230113957 344626660 /nfs/dbraw/zinc/62/66/60/344626660.db2.gz QFDKQQKXYOQBQJ-UHFFFAOYSA-N 0 0 190.699 2.780 10 0 AFAERN C[C@@H](c1nc(Cl)ns1)C1CC1 230114070 344626667 /nfs/dbraw/zinc/62/66/67/344626667.db2.gz CGGGFLAPOLFKPO-SCSAIBSYSA-N 0 0 188.683 2.705 10 0 AFAERN CC[C@H](C)Cc1nc(Cl)ns1 230113368 344626699 /nfs/dbraw/zinc/62/66/99/344626699.db2.gz OMAVUQNMPYUDPM-YFKPBYRVSA-N 0 0 190.699 2.780 10 0 AFAERN C[C@H](c1nc(Cl)ns1)C1CC1 230114074 344626704 /nfs/dbraw/zinc/62/67/04/344626704.db2.gz CGGGFLAPOLFKPO-BYPYZUCNSA-N 0 0 188.683 2.705 10 0 AFAERN CCC(C)(C)c1nc(Cl)ns1 230113454 344626715 /nfs/dbraw/zinc/62/67/15/344626715.db2.gz VFOKBIXGMZBMLT-UHFFFAOYSA-N 0 0 190.699 2.879 10 0 AFAERN Clc1nsc(C2CCCC2)n1 230113951 344626740 /nfs/dbraw/zinc/62/67/40/344626740.db2.gz CIKYGWBGTKAJCB-UHFFFAOYSA-N 0 0 188.683 2.849 10 0 AFAERN CC(C)[C@@H](C)c1nc(Cl)ns1 230113466 344626757 /nfs/dbraw/zinc/62/67/57/344626757.db2.gz WHEXQRIMOVYWGT-RXMQYKEDSA-N 0 0 190.699 2.951 10 0 AFAERN CC[C@H](C)c1nc(Cl)ns1 230114185 344626761 /nfs/dbraw/zinc/62/67/61/344626761.db2.gz GDVRYSMWDXSOQC-BYPYZUCNSA-N 0 0 176.672 2.705 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cc(C)ccn1 230147608 344626996 /nfs/dbraw/zinc/62/69/96/344626996.db2.gz CCABWPIJIQSKLO-UWVGGRQHSA-N 0 0 176.263 2.600 10 0 AFAERN CCC[C@@H]1C[C@@H]1Nc1cc(C)ccn1 230148762 344627004 /nfs/dbraw/zinc/62/70/04/344627004.db2.gz IWJIGXKQGAODTK-MNOVXSKESA-N 0 0 190.290 2.991 10 0 AFAERN CCC[C@H]1C[C@H]1Nc1cc(C)ccn1 230148782 344627054 /nfs/dbraw/zinc/62/70/54/344627054.db2.gz IWJIGXKQGAODTK-WDEREUQCSA-N 0 0 190.290 2.991 10 0 AFAERN CCC[C@@H]1C[C@H]1Nc1cc(C)ccn1 230148776 344627076 /nfs/dbraw/zinc/62/70/76/344627076.db2.gz IWJIGXKQGAODTK-GHMZBOCLSA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cc(C)ccn1 230147605 344627131 /nfs/dbraw/zinc/62/71/31/344627131.db2.gz CCABWPIJIQSKLO-ZJUUUORDSA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1cc(C)ccn1 230147613 344627166 /nfs/dbraw/zinc/62/71/66/344627166.db2.gz CCABWPIJIQSKLO-NXEZZACHSA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@H]1C[C@H]1Nc1cc(C)ccn1 230147619 344627194 /nfs/dbraw/zinc/62/71/94/344627194.db2.gz CCABWPIJIQSKLO-VHSXEESVSA-N 0 0 176.263 2.600 10 0 AFAERN CCC[C@H]1C[C@@H]1Nc1cc(C)ccn1 230148770 344627199 /nfs/dbraw/zinc/62/71/99/344627199.db2.gz IWJIGXKQGAODTK-QWRGUYRKSA-N 0 0 190.290 2.991 10 0 AFAERN C[C@H]1CC(=O)c2ccc(F)cc2S1 230385294 344633245 /nfs/dbraw/zinc/63/32/45/344633245.db2.gz NBBQVXBBRWDLKN-LURJTMIESA-N 0 0 196.246 2.893 10 0 AFAERN C[C@@H]1CC(=O)c2ccc(F)cc2S1 230385291 344633620 /nfs/dbraw/zinc/63/36/20/344633620.db2.gz NBBQVXBBRWDLKN-ZCFIWIBFSA-N 0 0 196.246 2.893 10 0 AFAERN O=C1CCCSc2cc(F)ccc21 230385278 344633647 /nfs/dbraw/zinc/63/36/47/344633647.db2.gz AAAOPHMLEQQUBK-UHFFFAOYSA-N 0 0 196.246 2.894 10 0 AFAERN C[C@H]1CC[C@@H](Cn2cc[nH]c2=S)C1 230436831 344636100 /nfs/dbraw/zinc/63/61/00/344636100.db2.gz HOWZKIAMQHUBJJ-DTWKUNHWSA-N 0 0 196.319 2.608 10 0 AFAERN C[C@@H]1CC[C@H](Cn2cc[nH]c2=S)C1 230436835 344636537 /nfs/dbraw/zinc/63/65/37/344636537.db2.gz HOWZKIAMQHUBJJ-BDAKNGLRSA-N 0 0 196.319 2.608 10 0 AFAERN Cc1ccc(F)c2cc(C=O)oc12 230694297 344639709 /nfs/dbraw/zinc/63/97/09/344639709.db2.gz BQUGMHAIYJWFFU-UHFFFAOYSA-N 0 0 178.162 2.693 10 0 AFAERN C[C@@H]1CCC[C@@H]1Cn1cc[nH]c1=S 230699451 344639984 /nfs/dbraw/zinc/63/99/84/344639984.db2.gz SBPQCNQJLTXHST-RKDXNWHRSA-N 0 0 196.319 2.608 10 0 AFAERN C[C@H]1CCC[C@H]1Cn1cc[nH]c1=S 230699464 344640009 /nfs/dbraw/zinc/64/00/09/344640009.db2.gz SBPQCNQJLTXHST-IUCAKERBSA-N 0 0 196.319 2.608 10 0 AFAERN C[C@@H]1CCC[C@H]1Cn1cc[nH]c1=S 230699459 344640073 /nfs/dbraw/zinc/64/00/73/344640073.db2.gz SBPQCNQJLTXHST-BDAKNGLRSA-N 0 0 196.319 2.608 10 0 AFAERN CCC(CC)S[C@@H](C)[C@@H](C)O 230720534 344640924 /nfs/dbraw/zinc/64/09/24/344640924.db2.gz FDLLOVYOOALIRH-SFYZADRCSA-N 0 0 176.325 2.678 10 0 AFAERN CCC(CC)S[C@H](C)[C@@H](C)O 230720537 344641085 /nfs/dbraw/zinc/64/10/85/344641085.db2.gz FDLLOVYOOALIRH-HTQZYQBOSA-N 0 0 176.325 2.678 10 0 AFAERN CCC(CC)S[C@@H](C)[C@H](C)O 230720541 344641107 /nfs/dbraw/zinc/64/11/07/344641107.db2.gz FDLLOVYOOALIRH-YUMQZZPRSA-N 0 0 176.325 2.678 10 0 AFAERN CC(C)=CCNc1cc(Cl)ncn1 230717455 344641166 /nfs/dbraw/zinc/64/11/66/344641166.db2.gz IJRWTRFIAJTQOR-UHFFFAOYSA-N 0 0 197.669 2.508 10 0 AFAERN CCC(CC)S[C@H](C)[C@H](C)O 230720542 344641172 /nfs/dbraw/zinc/64/11/72/344641172.db2.gz FDLLOVYOOALIRH-JGVFFNPUSA-N 0 0 176.325 2.678 10 0 AFAERN CC(C)C[C@H]1CCC[C@H](NO)C1 230774105 344643159 /nfs/dbraw/zinc/64/31/59/344643159.db2.gz WFXXDOHTEOJSOX-ZJUUUORDSA-N 0 0 171.284 2.570 10 0 AFAERN CSc1ccnc2cc(N)ccc12 230761195 344643251 /nfs/dbraw/zinc/64/32/51/344643251.db2.gz NRZLWZNNQPUDJX-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN C=Cc1ccc(C=O)c(Cl)c1 230790547 344643255 /nfs/dbraw/zinc/64/32/55/344643255.db2.gz MQYQSMRVRFFLSZ-UHFFFAOYSA-N 0 0 166.607 2.796 10 0 AFAERN CC(C)C[C@@H]1CCC[C@H](NO)C1 230774102 344643317 /nfs/dbraw/zinc/64/33/17/344643317.db2.gz WFXXDOHTEOJSOX-UWVGGRQHSA-N 0 0 171.284 2.570 10 0 AFAERN C=Cc1cc(C(C)=O)ccc1F 230790537 344643355 /nfs/dbraw/zinc/64/33/55/344643355.db2.gz AEKRMCQKTIYPJV-UHFFFAOYSA-N 0 0 164.179 2.671 10 0 AFAERN CC(C)C[C@H]1CCC[C@@H](NO)C1 230774099 344643356 /nfs/dbraw/zinc/64/33/56/344643356.db2.gz WFXXDOHTEOJSOX-NXEZZACHSA-N 0 0 171.284 2.570 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1nccc2occc12 230903099 344644697 /nfs/dbraw/zinc/64/46/97/344644697.db2.gz KKBBGCIPXCEIIL-APPZFPTMSA-N 0 0 188.230 2.648 10 0 AFAERN C[C@H]1C[C@@H]1Nc1nccc2occc12 230903103 344644732 /nfs/dbraw/zinc/64/47/32/344644732.db2.gz KKBBGCIPXCEIIL-CBAPKCEASA-N 0 0 188.230 2.648 10 0 AFAERN C[C@@H]1C[C@H]1Nc1nccc2occc12 230903108 344644779 /nfs/dbraw/zinc/64/47/79/344644779.db2.gz KKBBGCIPXCEIIL-VXNVDRBHSA-N 0 0 188.230 2.648 10 0 AFAERN C[C@H]1C[C@H]1Nc1nccc2occc12 230903112 344644826 /nfs/dbraw/zinc/64/48/26/344644826.db2.gz KKBBGCIPXCEIIL-IONNQARKSA-N 0 0 188.230 2.648 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ccc(C)cn1 230905832 344644830 /nfs/dbraw/zinc/64/48/30/344644830.db2.gz IWSWVPCCEMRETE-VHSXEESVSA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccc(C)cn1 230905823 344644876 /nfs/dbraw/zinc/64/48/76/344644876.db2.gz IWSWVPCCEMRETE-UWVGGRQHSA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ccc(C)cn1 230905818 344644916 /nfs/dbraw/zinc/64/49/16/344644916.db2.gz IWSWVPCCEMRETE-ZJUUUORDSA-N 0 0 176.263 2.600 10 0 AFAERN C[Si](C)(C)CC1(CO)CCCC1 230928664 344645148 /nfs/dbraw/zinc/64/51/48/344645148.db2.gz JUICAGJZAUDSPR-UHFFFAOYSA-N 0 0 186.371 2.877 10 0 AFAERN COC(C)(C)CNc1ccccc1 230932011 344645672 /nfs/dbraw/zinc/64/56/72/344645672.db2.gz LIHVRLDXISWCCR-UHFFFAOYSA-N 0 0 179.263 2.524 10 0 AFAERN CCC(C)(CC)Nc1ncc(F)cn1 230961779 344646107 /nfs/dbraw/zinc/64/61/07/344646107.db2.gz DDXCYUZFXKSCLA-UHFFFAOYSA-N 0 0 197.257 2.606 10 0 AFAERN CCC(C)(CC)Nc1ncc(C)cn1 230962582 344646238 /nfs/dbraw/zinc/64/62/38/344646238.db2.gz KCZFYZGUOLENID-UHFFFAOYSA-N 0 0 193.294 2.776 10 0 AFAERN CCC(C)(CC)n1cc[nH]c1=S 230958593 344646309 /nfs/dbraw/zinc/64/63/09/344646309.db2.gz DZCMTRDEELMOKJ-UHFFFAOYSA-N 0 0 184.308 2.707 10 0 AFAERN Cc1ccc(Cl)c2cc(O)cnc12 230982528 344646619 /nfs/dbraw/zinc/64/66/19/344646619.db2.gz YILLMJWZSYGBME-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1cc(Cl)cc2cc(O)cnc12 230982482 344646725 /nfs/dbraw/zinc/64/67/25/344646725.db2.gz UDTQGWNQTMFSEQ-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Oc1cnc2c(F)cc(Cl)cc2c1 230982414 344646733 /nfs/dbraw/zinc/64/67/33/344646733.db2.gz UDGBPNQTIZLVSZ-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN CCc1cccc2cc(O)cnc12 230982535 344646781 /nfs/dbraw/zinc/64/67/81/344646781.db2.gz BFNOSYYFBJYDBL-UHFFFAOYSA-N 0 0 173.215 2.503 10 0 AFAERN CC(C)[C@H]1CCC[C@](O)(C2CC2)C1 231010444 344647149 /nfs/dbraw/zinc/64/71/49/344647149.db2.gz ZXYIQKGKHLFMHV-CMPLNLGQSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)[C@@H]1CCC[C@@](O)(C2CC2)C1 231010437 344647251 /nfs/dbraw/zinc/64/72/51/344647251.db2.gz ZXYIQKGKHLFMHV-PWSUYJOCSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)[C@H]1CCC[C@@](O)(C2CC2)C1 231010440 344647345 /nfs/dbraw/zinc/64/73/45/344647345.db2.gz ZXYIQKGKHLFMHV-JQWIXIFHSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)[C@@H]1CCC[C@](O)(C2CC2)C1 231010441 344647364 /nfs/dbraw/zinc/64/73/64/344647364.db2.gz ZXYIQKGKHLFMHV-ZYHUDNBSSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)[C@@H]1CCC[C@]2(C[C@@H]2CO)C1 231021878 344647752 /nfs/dbraw/zinc/64/77/52/344647752.db2.gz AVGQHLWXVIAVSH-IJLUTSLNSA-N 0 0 182.307 2.831 10 0 AFAERN CC(C)[C@@H]1CCC[C@@]2(C[C@@H]2CO)C1 231021874 344647784 /nfs/dbraw/zinc/64/77/84/344647784.db2.gz AVGQHLWXVIAVSH-UTUOFQBUSA-N 0 0 182.307 2.831 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccc(Cl)cn1 231140817 344648709 /nfs/dbraw/zinc/64/87/09/344648709.db2.gz CTONNQDREQPZDO-CBAPKCEASA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ccc(Cl)cn1 231140787 344648757 /nfs/dbraw/zinc/64/87/57/344648757.db2.gz CTONNQDREQPZDO-APPZFPTMSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ccc(Cl)cn1 231140873 344648879 /nfs/dbraw/zinc/64/88/79/344648879.db2.gz CTONNQDREQPZDO-IONNQARKSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccc(Cl)cn1 231140849 344648909 /nfs/dbraw/zinc/64/89/09/344648909.db2.gz CTONNQDREQPZDO-VXNVDRBHSA-N 0 0 196.681 2.945 10 0 AFAERN CC(C)Nc1ncc2sccc2n1 231182070 344649199 /nfs/dbraw/zinc/64/91/99/344649199.db2.gz QWVIRJRFNAWWMA-UHFFFAOYSA-N 0 0 193.275 2.512 10 0 AFAERN Cc1ccc(C2CC2)cc1O 231388307 344652724 /nfs/dbraw/zinc/65/27/24/344652724.db2.gz XBSSNETWDXYETO-UHFFFAOYSA-N 0 0 148.205 2.578 10 0 AFAERN Oc1ccc(NCC2CC2)c(Cl)c1 231406466 344653101 /nfs/dbraw/zinc/65/31/01/344653101.db2.gz LFSNPZXVTOHXQC-UHFFFAOYSA-N 0 0 197.665 2.868 10 0 AFAERN OCc1cc(Cl)cc2ccccc12 231556956 344654067 /nfs/dbraw/zinc/65/40/67/344654067.db2.gz ZMILUXSAWPAHJP-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN Fc1nc(-c2ccccc2)cs1 231534774 344654069 /nfs/dbraw/zinc/65/40/69/344654069.db2.gz UNYUZPYLOMBHMN-UHFFFAOYSA-N 0 0 179.219 2.949 10 0 AFAERN Cc1cccc(Cl)c1/C=C/[N+](=O)[O-] 231530093 344654138 /nfs/dbraw/zinc/65/41/38/344654138.db2.gz ZGOJYKCXGWWTHI-AATRIKPKSA-N 0 0 197.621 2.896 10 0 AFAERN CC(C)[C@@H](O)c1cc2ccccc2[nH]1 231526208 344654279 /nfs/dbraw/zinc/65/42/79/344654279.db2.gz UNUBBHAGKLYPIP-GFCCVEGCSA-N 0 0 189.258 2.857 10 0 AFAERN Cc1cc(C(F)(F)F)c(F)cc1N 231595577 344655241 /nfs/dbraw/zinc/65/52/41/344655241.db2.gz RBQOJOIBWZXYTR-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN CC[C@@H](C)C(=O)c1cc(C)nc(C)c1 231655585 344656057 /nfs/dbraw/zinc/65/60/57/344656057.db2.gz YEYDMDMSTPBOIQ-MRVPVSSYSA-N 0 0 191.274 2.927 10 0 AFAERN Cc1cc(C(=O)C(C)C)cc(C)n1 231655296 344656077 /nfs/dbraw/zinc/65/60/77/344656077.db2.gz ARTHFSUOXNISLT-UHFFFAOYSA-N 0 0 177.247 2.537 10 0 AFAERN Cc1cc([C@H](O)C2CCC2)cc(C)n1 231657866 344656153 /nfs/dbraw/zinc/65/61/53/344656153.db2.gz KILJPMDXWVKDEV-GFCCVEGCSA-N 0 0 191.274 2.532 10 0 AFAERN CC[C@H](C)C(=O)c1cc(C)nc(C)c1 231655587 344656163 /nfs/dbraw/zinc/65/61/63/344656163.db2.gz YEYDMDMSTPBOIQ-QMMMGPOBSA-N 0 0 191.274 2.927 10 0 AFAERN Cc1cc([C@@H](O)C2CCC2)cc(C)n1 231657863 344656167 /nfs/dbraw/zinc/65/61/67/344656167.db2.gz KILJPMDXWVKDEV-LBPRGKRZSA-N 0 0 191.274 2.532 10 0 AFAERN CCCC(=O)c1cc(C)nc(C)c1 231656227 344656170 /nfs/dbraw/zinc/65/61/70/344656170.db2.gz PCLHLWGUIUUTEH-UHFFFAOYSA-N 0 0 177.247 2.681 10 0 AFAERN Cc1cc(-c2nccs2)cc(C)n1 231673079 344656961 /nfs/dbraw/zinc/65/69/61/344656961.db2.gz ONDDCCIJSCUTEK-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN COCc1csc(-c2ccco2)n1 231721857 344658153 /nfs/dbraw/zinc/65/81/53/344658153.db2.gz GCUXPGNOKIBXRT-UHFFFAOYSA-N 0 0 195.243 2.550 10 0 AFAERN COCc1csc(C2CCC2)n1 231721330 344658208 /nfs/dbraw/zinc/65/82/08/344658208.db2.gz TZVLKQKPFVJVGG-UHFFFAOYSA-N 0 0 183.276 2.557 10 0 AFAERN CCC(=O)c1ccc(C)c(F)c1F 231725492 344658230 /nfs/dbraw/zinc/65/82/30/344658230.db2.gz DAGAMEJNKDZCQX-UHFFFAOYSA-N 0 0 184.185 2.866 10 0 AFAERN CC(=O)CCc1ccc(C)c(F)c1F 231737105 344658517 /nfs/dbraw/zinc/65/85/17/344658517.db2.gz GABDYTSDSPGDKO-UHFFFAOYSA-N 0 0 198.212 2.795 10 0 AFAERN C/C(=C\C1CCCCC1)[C@@H](C)O 231749161 344658839 /nfs/dbraw/zinc/65/88/39/344658839.db2.gz CAEZUXPMWOCFGI-AAXQSMANSA-N 0 0 168.280 2.894 10 0 AFAERN C/C(=C\C1CCCCC1)[C@H](C)O 231749165 344658972 /nfs/dbraw/zinc/65/89/72/344658972.db2.gz CAEZUXPMWOCFGI-DDXVTDLHSA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C)CN(c2ncccc2Cl)C1 231771651 344659977 /nfs/dbraw/zinc/65/99/77/344659977.db2.gz ORJHSWKJTYVGKK-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN CCN(CC)c1ncccc1Cl 231771616 344660041 /nfs/dbraw/zinc/66/00/41/344660041.db2.gz DTRWJCHVJBCTKT-UHFFFAOYSA-N 0 0 184.670 2.581 10 0 AFAERN CCC1CN(c2ncccc2Cl)C1 231771681 344660438 /nfs/dbraw/zinc/66/04/38/344660438.db2.gz JVMURJAFKJOVHI-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN COc1ccc(NC2CC(C)C2)cc1 231789438 344661122 /nfs/dbraw/zinc/66/11/22/344661122.db2.gz KGFLMOCDDRESFO-UHFFFAOYSA-N 0 0 191.274 2.906 10 0 AFAERN C=CC(=O)Nc1cc(F)ccc1Cl 231815266 344661698 /nfs/dbraw/zinc/66/16/98/344661698.db2.gz JMPDCLFNAUXTGJ-UHFFFAOYSA-N 0 0 199.612 2.604 10 0 AFAERN FCCNc1cc(F)ccc1Cl 231819041 344662111 /nfs/dbraw/zinc/66/21/11/344662111.db2.gz LEAAMLHASGJFBX-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN Oc1cnc2c(Cl)ccc(F)c2c1 231838609 344662472 /nfs/dbraw/zinc/66/24/72/344662472.db2.gz DSFSMMLGWCFOAV-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN Nc1ccnc2c(Cl)ccc(F)c12 231834518 344662600 /nfs/dbraw/zinc/66/26/00/344662600.db2.gz ORUXXHRQLDHPLH-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Nc1ccc2c(F)ccc(Cl)c2n1 231835606 344662771 /nfs/dbraw/zinc/66/27/71/344662771.db2.gz RQBGEMOWRIIGJG-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN C/C(=C\Cl)C[C@H]1CCCC1=O 232007144 344669777 /nfs/dbraw/zinc/66/97/77/344669777.db2.gz SCXZBUWKBBZSSQ-HYDMIIDASA-N 0 0 172.655 2.888 10 0 AFAERN CC(C)C(=O)c1ccc(Cl)o1 232558328 344682649 /nfs/dbraw/zinc/68/26/49/344682649.db2.gz FRKAWGNPGVEMHU-UHFFFAOYSA-N 0 0 172.611 2.772 10 0 AFAERN O=C(c1cccc2ccncc12)C1CC1 232000607 344669255 /nfs/dbraw/zinc/66/92/55/344669255.db2.gz BRCRFNCBDIOGCY-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN CC(=O)C1(C/C(C)=C/Cl)CC1 232007270 344669619 /nfs/dbraw/zinc/66/96/19/344669619.db2.gz YMNLJXDMUGEKFH-VOTSOKGWSA-N 0 0 172.655 2.888 10 0 AFAERN CC(=O)[C@@H](C)C/C(C)=C/Cl 232007134 344669663 /nfs/dbraw/zinc/66/96/63/344669663.db2.gz MBHALUIAZRQHBL-XPPMVYLVSA-N 0 0 160.644 2.744 10 0 AFAERN CC(=O)[C@H](C)C/C(C)=C/Cl 232007136 344669685 /nfs/dbraw/zinc/66/96/85/344669685.db2.gz MBHALUIAZRQHBL-WEWAHIQMSA-N 0 0 160.644 2.744 10 0 AFAERN CCC(=O)CC/C(C)=C/Cl 232007127 344669728 /nfs/dbraw/zinc/66/97/28/344669728.db2.gz LXGFXVXDSBRTAH-VOTSOKGWSA-N 0 0 160.644 2.888 10 0 AFAERN C/C(=C\Cl)C[C@@H]1CCCC1=O 232007142 344669830 /nfs/dbraw/zinc/66/98/30/344669830.db2.gz SCXZBUWKBBZSSQ-CZEYKFRCSA-N 0 0 172.655 2.888 10 0 AFAERN Cc1cc(N)cc(-c2ccoc2)c1 232054955 344670460 /nfs/dbraw/zinc/67/04/60/344670460.db2.gz RCVCLDSMFBGYIP-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CC[C@H](O)c1cccc2ccncc12 232042991 344670530 /nfs/dbraw/zinc/67/05/30/344670530.db2.gz GUIDMYUVNSHLTF-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN Cc1cc(N)cc(-c2ccc[nH]2)c1 232055493 344670606 /nfs/dbraw/zinc/67/06/06/344670606.db2.gz DMOFBRQMOHCFQC-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CSc1ccc(N)c2ccncc12 232052888 344670662 /nfs/dbraw/zinc/67/06/62/344670662.db2.gz GVDVALQFBGIEAF-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CNc1nc(C)c(C(F)(F)F)s1 232039389 344670668 /nfs/dbraw/zinc/67/06/68/344670668.db2.gz RQQVLUQPKZUEIB-UHFFFAOYSA-N 0 0 196.197 2.512 10 0 AFAERN CC[C@@H](O)c1cccc2ccncc12 232042989 344670769 /nfs/dbraw/zinc/67/07/69/344670769.db2.gz GUIDMYUVNSHLTF-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN Cc1cc(N)cc(CC(C)C)c1 232054928 344670777 /nfs/dbraw/zinc/67/07/77/344670777.db2.gz KCHOEAVQXTXLEJ-UHFFFAOYSA-N 0 0 163.264 2.776 10 0 AFAERN CCC[C@H](C)[C@@H]1CC[C@@H](O)C1 233341963 344701098 /nfs/dbraw/zinc/70/10/98/344701098.db2.gz ZAYPPRQOVVFSOU-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN Nc1c(F)cccc1-c1ccoc1 232138093 344672539 /nfs/dbraw/zinc/67/25/39/344672539.db2.gz APIGFJHHVVVZES-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CC(C)Cc1cccc(F)c1N 232138086 344672591 /nfs/dbraw/zinc/67/25/91/344672591.db2.gz OECHGGQJLUBQAU-UHFFFAOYSA-N 0 0 167.227 2.606 10 0 AFAERN Cc1cc(F)c(CC(C)C)cc1N 232106262 344672593 /nfs/dbraw/zinc/67/25/93/344672593.db2.gz PKGPQFBTLMRXEQ-UHFFFAOYSA-N 0 0 181.254 2.915 10 0 AFAERN Nc1c(F)cccc1-c1ccco1 232133260 344672610 /nfs/dbraw/zinc/67/26/10/344672610.db2.gz VSWYSJUTRUYYPW-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Cc1cc(F)c(C(C)C)cc1N 232106264 344672710 /nfs/dbraw/zinc/67/27/10/344672710.db2.gz STARZBGXXRZOGX-UHFFFAOYSA-N 0 0 167.227 2.840 10 0 AFAERN CC(C)c1cc(F)c(N)cc1F 232181825 344672904 /nfs/dbraw/zinc/67/29/04/344672904.db2.gz YUOGMHQCOCPKMV-UHFFFAOYSA-N 0 0 171.190 2.670 10 0 AFAERN Clc1nnc(CC2CCC2)s1 232171869 344673041 /nfs/dbraw/zinc/67/30/41/344673041.db2.gz RZJJCMIIPOWNMZ-UHFFFAOYSA-N 0 0 188.683 2.534 10 0 AFAERN CC(C)Cc1cc(F)c(N)cc1F 232181820 344673088 /nfs/dbraw/zinc/67/30/88/344673088.db2.gz FUDUGUOYMCPDQT-UHFFFAOYSA-N 0 0 185.217 2.746 10 0 AFAERN Cc1c(N)cccc1CC(C)C 232215691 344673301 /nfs/dbraw/zinc/67/33/01/344673301.db2.gz YAYPPQUQRTWJLI-UHFFFAOYSA-N 0 0 163.264 2.776 10 0 AFAERN Cc1ccc(Cl)c2nc(N)ccc12 232223854 344673343 /nfs/dbraw/zinc/67/33/43/344673343.db2.gz XKHUZXKCIZWEMZ-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Cc1c(N)cccc1-c1ccccn1 232215683 344673354 /nfs/dbraw/zinc/67/33/54/344673354.db2.gz QNFNRBICJDBMSE-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Clc1nsc(CC2CCC2)n1 232189868 344673357 /nfs/dbraw/zinc/67/33/57/344673357.db2.gz WGCYODQZURXONQ-UHFFFAOYSA-N 0 0 188.683 2.534 10 0 AFAERN Nc1cc(F)ccc1-c1ccoc1 232215725 344673378 /nfs/dbraw/zinc/67/33/78/344673378.db2.gz HCJLCUHGCKOVGB-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Cc1ccc(Cl)c2nccc(N)c12 232221512 344673397 /nfs/dbraw/zinc/67/33/97/344673397.db2.gz SGQJPRVBNRKUGP-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Cc1ccc(Cl)c2ncc(O)cc12 232223975 344673518 /nfs/dbraw/zinc/67/35/18/344673518.db2.gz TUPULCOYYATBEV-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CC1(C)CC[C@H](Nc2cnns2)C1 232290554 344674182 /nfs/dbraw/zinc/67/41/82/344674182.db2.gz WDIXOAFRTDKOPT-ZETCQYMHSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@H]1CCC[C@@H]1Nc1cnns1 232290590 344674245 /nfs/dbraw/zinc/67/42/45/344674245.db2.gz VCJCMWFFNMHTGP-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN CC1(C)CC[C@@H](Nc2cnns2)C1 232290553 344674247 /nfs/dbraw/zinc/67/42/47/344674247.db2.gz WDIXOAFRTDKOPT-SSDOTTSWSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@@H]1CCC[C@H]1Nc1nncs1 232287906 344674256 /nfs/dbraw/zinc/67/42/56/344674256.db2.gz RQYOHGRVEQDNJL-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H](Nc1cnns1)C1CCCC1 232290450 344674298 /nfs/dbraw/zinc/67/42/98/344674298.db2.gz QLRYPCXXEQAJBS-SSDOTTSWSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@@H]1CCC[C@@H]1Nc1cnns1 232290588 344674299 /nfs/dbraw/zinc/67/42/99/344674299.db2.gz VCJCMWFFNMHTGP-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@H]1CCC[C@@H]1Nc1nncs1 232287904 344674303 /nfs/dbraw/zinc/67/43/03/344674303.db2.gz RQYOHGRVEQDNJL-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@@H]1CCC[C@H]1Nc1cnns1 232290592 344674329 /nfs/dbraw/zinc/67/43/29/344674329.db2.gz VCJCMWFFNMHTGP-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@@H]1CCC[C@@H]1Nc1nncs1 232287902 344674357 /nfs/dbraw/zinc/67/43/57/344674357.db2.gz RQYOHGRVEQDNJL-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@H]1CCC[C@H]1Nc1nncs1 232287908 344674360 /nfs/dbraw/zinc/67/43/60/344674360.db2.gz RQYOHGRVEQDNJL-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@H](Nc1cnns1)C1CCCC1 232290452 344674387 /nfs/dbraw/zinc/67/43/87/344674387.db2.gz QLRYPCXXEQAJBS-ZETCQYMHSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@H]1CCC[C@H]1Nc1cnns1 232290593 344674389 /nfs/dbraw/zinc/67/43/89/344674389.db2.gz VCJCMWFFNMHTGP-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@H]1CCC[C@@H](Nc2cnns2)C1 232292022 344674719 /nfs/dbraw/zinc/67/47/19/344674719.db2.gz ZVZOSTLOXISESI-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@@H]1CC[C@H](Nc2cnns2)C1 232291513 344674737 /nfs/dbraw/zinc/67/47/37/344674737.db2.gz MLXOWLUZPODRTP-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@H]1CC[C@H](Nc2cnns2)C1 232291515 344674739 /nfs/dbraw/zinc/67/47/39/344674739.db2.gz MLXOWLUZPODRTP-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN c1nnsc1NC1CCCCCC1 232291728 344674752 /nfs/dbraw/zinc/67/47/52/344674752.db2.gz PWTSARCLGBZSKH-UHFFFAOYSA-N 0 0 197.307 2.673 10 0 AFAERN C[C@@H]1CCC[C@H](Nc2cnns2)C1 232292024 344674755 /nfs/dbraw/zinc/67/47/55/344674755.db2.gz ZVZOSTLOXISESI-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCC[C@@H](Nc2cnns2)C1 232292020 344674762 /nfs/dbraw/zinc/67/47/62/344674762.db2.gz ZVZOSTLOXISESI-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@@H]1CC[C@@H](Nc2cnns2)C1 232291509 344674787 /nfs/dbraw/zinc/67/47/87/344674787.db2.gz MLXOWLUZPODRTP-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@H]1CCC[C@H](Nc2cnns2)C1 232292025 344674800 /nfs/dbraw/zinc/67/48/00/344674800.db2.gz ZVZOSTLOXISESI-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@H]1CC[C@@H](Nc2cnns2)C1 232291511 344674830 /nfs/dbraw/zinc/67/48/30/344674830.db2.gz MLXOWLUZPODRTP-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1ccc2cc(C=O)oc2c1F 232331948 344675334 /nfs/dbraw/zinc/67/53/34/344675334.db2.gz XGXGXMMQHJAILH-UHFFFAOYSA-N 0 0 178.162 2.693 10 0 AFAERN Cc1ccc2c(C)c(C[NH3+])oc2c1F 232334838 344675359 /nfs/dbraw/zinc/67/53/59/344675359.db2.gz CBLABDCCVXFPQZ-UHFFFAOYSA-N 0 0 193.221 2.647 10 0 AFAERN CCCNc1ccc(O)c(Cl)c1 232389892 344675724 /nfs/dbraw/zinc/67/57/24/344675724.db2.gz UUZJZIZEKABLAH-UHFFFAOYSA-N 0 0 185.654 2.868 10 0 AFAERN C/C=C/COc1cc(C)cc(O)c1 232397313 344676173 /nfs/dbraw/zinc/67/61/73/344676173.db2.gz VMEHHJIWYVLFAF-ONEGZZNKSA-N 0 0 178.231 2.656 10 0 AFAERN Cc1cc(O)cc(OCC2CCC2)c1 232397384 344676265 /nfs/dbraw/zinc/67/62/65/344676265.db2.gz BXNAXIUSXIFUKK-UHFFFAOYSA-N 0 0 192.258 2.880 10 0 AFAERN CC[C@@H](C)Oc1cc(C)cc(O)c1 232396991 344676383 /nfs/dbraw/zinc/67/63/83/344676383.db2.gz ASBQFBOFWZHPSX-SECBINFHSA-N 0 0 180.247 2.878 10 0 AFAERN Oc1ccc(NCC2CC2)cc1Cl 232392961 344676436 /nfs/dbraw/zinc/67/64/36/344676436.db2.gz JYHCOZOGBCWOCV-UHFFFAOYSA-N 0 0 197.665 2.868 10 0 AFAERN CC[C@H](C)Oc1cc(C)cc(O)c1 232396992 344676462 /nfs/dbraw/zinc/67/64/62/344676462.db2.gz ASBQFBOFWZHPSX-VIFPVBQESA-N 0 0 180.247 2.878 10 0 AFAERN Oc1ccc(NC2CC2)cc1Cl 232391881 344676494 /nfs/dbraw/zinc/67/64/94/344676494.db2.gz GSIAXBDFAYVBGP-UHFFFAOYSA-N 0 0 183.638 2.620 10 0 AFAERN c1cc(NC2CC2)c2cccnc2c1 232466293 344678699 /nfs/dbraw/zinc/67/86/99/344678699.db2.gz XGWJCGRIWUZHGH-UHFFFAOYSA-N 0 0 184.242 2.809 10 0 AFAERN C/C=C/CNc1ccc(F)c(F)c1 232470707 344679299 /nfs/dbraw/zinc/67/92/99/344679299.db2.gz WQYZRLIBVYFCHL-NSCUHMNNSA-N 0 0 183.201 2.953 10 0 AFAERN C/C=C/CNc1ccsc1 232471252 344679357 /nfs/dbraw/zinc/67/93/57/344679357.db2.gz WPGVAHDOVBSBGN-NSCUHMNNSA-N 0 0 153.250 2.736 10 0 AFAERN C/C=C/CNc1cc(F)ccc1F 232470269 344679406 /nfs/dbraw/zinc/67/94/06/344679406.db2.gz FGJAOTBCSHPSGM-NSCUHMNNSA-N 0 0 183.201 2.953 10 0 AFAERN C/C=C/COc1c(C)cc(C)cc1N 232473565 344679414 /nfs/dbraw/zinc/67/94/14/344679414.db2.gz ZJFAXMQHGFGFAS-SNAWJCMRSA-N 0 0 191.274 2.841 10 0 AFAERN C/C=C/CNc1cccc(F)c1F 232471017 344679419 /nfs/dbraw/zinc/67/94/19/344679419.db2.gz OBZITCVYIKTWAU-NSCUHMNNSA-N 0 0 183.201 2.953 10 0 AFAERN CC(=O)c1csc([C@H]2CC2(C)C)n1 232488445 344679893 /nfs/dbraw/zinc/67/98/93/344679893.db2.gz BIXJKAJHMIKBQR-SSDOTTSWSA-N 0 0 195.287 2.859 10 0 AFAERN C/C=C/COc1cc(C)c(N)cc1C 232474101 344679924 /nfs/dbraw/zinc/67/99/24/344679924.db2.gz DMNGMOMCSDGRMS-SNAWJCMRSA-N 0 0 191.274 2.841 10 0 AFAERN CC(=O)c1cnc([C@@H]2CC2(C)C)s1 232488254 344679971 /nfs/dbraw/zinc/67/99/71/344679971.db2.gz AUVZMEDJCWQFRO-ZETCQYMHSA-N 0 0 195.287 2.859 10 0 AFAERN CC(=O)c1cnc([C@H]2CC2(C)C)s1 232488256 344679985 /nfs/dbraw/zinc/67/99/85/344679985.db2.gz AUVZMEDJCWQFRO-SSDOTTSWSA-N 0 0 195.287 2.859 10 0 AFAERN CC(C)(C)C(=O)C(F)(F)C(F)F 232490783 344680432 /nfs/dbraw/zinc/68/04/32/344680432.db2.gz SBVLACQDJATKTQ-UHFFFAOYSA-N 0 0 186.148 2.502 10 0 AFAERN CC(C)(C)Nc1cc(N)cc(Cl)n1 232493474 344680513 /nfs/dbraw/zinc/68/05/13/344680513.db2.gz FVBYVEKBJAAGSE-UHFFFAOYSA-N 0 0 199.685 2.528 10 0 AFAERN CC(C)(C)c1ccc(NC2CC2)nc1 232516945 344681074 /nfs/dbraw/zinc/68/10/74/344681074.db2.gz YVNDDUDCGCEUOV-UHFFFAOYSA-N 0 0 190.290 2.953 10 0 AFAERN CC(C)(Nc1ccc(F)cn1)C1CC1 232535744 344681376 /nfs/dbraw/zinc/68/13/76/344681376.db2.gz YGTUUZBJFZJADF-UHFFFAOYSA-N 0 0 194.253 2.821 10 0 AFAERN CC(C)(Nc1nccs1)C1CC1 232539624 344681452 /nfs/dbraw/zinc/68/14/52/344681452.db2.gz ZVTPYBJYWMCSBP-UHFFFAOYSA-N 0 0 182.292 2.744 10 0 AFAERN CC(C)(Nc1ccccn1)C1CC1 232537154 344681454 /nfs/dbraw/zinc/68/14/54/344681454.db2.gz JGFXVETVBLOUDN-UHFFFAOYSA-N 0 0 176.263 2.682 10 0 AFAERN CC(C)C(C)(C)Cn1cc[nH]c1=S 232533526 344681458 /nfs/dbraw/zinc/68/14/58/344681458.db2.gz AWMXAGOZDUZYNI-UHFFFAOYSA-N 0 0 198.335 2.854 10 0 AFAERN CC(C)(Nc1cccc(N)c1)C1CC1 232536905 344681530 /nfs/dbraw/zinc/68/15/30/344681530.db2.gz UJCITVDIMHDKOS-UHFFFAOYSA-N 0 0 190.290 2.869 10 0 AFAERN CC(C)(Nc1cccc(F)n1)C1CC1 232536879 344681552 /nfs/dbraw/zinc/68/15/52/344681552.db2.gz AVGORKPAWSGRJG-UHFFFAOYSA-N 0 0 194.253 2.821 10 0 AFAERN CC(C)CC(=O)C1(O)CCCCCC1 232536751 344681670 /nfs/dbraw/zinc/68/16/70/344681670.db2.gz KVLJMBLSGWHDRY-UHFFFAOYSA-N 0 0 198.306 2.687 10 0 AFAERN CC(C)(C)Oc1cccc(F)c1C=O 232556856 344682271 /nfs/dbraw/zinc/68/22/71/344682271.db2.gz KXGROLFTLYGNSG-UHFFFAOYSA-N 0 0 196.221 2.816 10 0 AFAERN CNc1c(C)cc(Cl)nc1Cl 234481424 344721193 /nfs/dbraw/zinc/72/11/93/344721193.db2.gz AUXOLSQONHLCQX-UHFFFAOYSA-N 0 0 191.061 2.739 10 0 AFAERN CC(C)=C[C@@H]([NH3+])c1ccoc1Cl 232559210 344682609 /nfs/dbraw/zinc/68/26/09/344682609.db2.gz RKEUPUJWOKTIPY-MRVPVSSYSA-N 0 0 185.654 2.899 10 0 AFAERN CC(C)=C[C@@H]([NH3+])c1ncccc1Cl 232559387 344682629 /nfs/dbraw/zinc/68/26/29/344682629.db2.gz UQMZUJZUUDXOTF-SECBINFHSA-N 0 0 196.681 2.701 10 0 AFAERN CC(C)CC(=O)[C@@H]1CC1(C)C 232558099 344682677 /nfs/dbraw/zinc/68/26/77/344682677.db2.gz LPGXNQYNNBSNIK-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)CC(=O)[C@H]1CC1(C)C 232558713 344682692 /nfs/dbraw/zinc/68/26/92/344682692.db2.gz LPGXNQYNNBSNIK-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)=C[C@@H]([NH3+])c1sc(C)nc1C 232559433 344682768 /nfs/dbraw/zinc/68/27/68/344682768.db2.gz DZMDNQAPQIICAG-SECBINFHSA-N 0 0 196.319 2.726 10 0 AFAERN Cc1ncc(C(=O)CC(C)C)s1 232561050 344683018 /nfs/dbraw/zinc/68/30/18/344683018.db2.gz IMFMROVONPSTTR-UHFFFAOYSA-N 0 0 183.276 2.680 10 0 AFAERN c1ccn(CC2(C3CC3)CC2)c1 232562657 344683076 /nfs/dbraw/zinc/68/30/76/344683076.db2.gz RMIHZNZNNHXUHA-UHFFFAOYSA-N 0 0 161.248 2.678 10 0 AFAERN c1ccc2c(c1)NC[C@H]2C1CCC1 232572540 344683656 /nfs/dbraw/zinc/68/36/56/344683656.db2.gz PRRYMKYLPMALBW-NSHDSACASA-N 0 0 173.259 2.996 10 0 AFAERN CC(C)=C[C@H](O)c1sc(C)nc1C 232570238 344683762 /nfs/dbraw/zinc/68/37/62/344683762.db2.gz OJKNVDHDISNARW-VIFPVBQESA-N 0 0 197.303 2.760 10 0 AFAERN c1ccc2c(c1)NC[C@@H]2C1CCC1 232573101 344683855 /nfs/dbraw/zinc/68/38/55/344683855.db2.gz PRRYMKYLPMALBW-LLVKDONJSA-N 0 0 173.259 2.996 10 0 AFAERN CC(C)CCSCC(C)(C)O 232580200 344684463 /nfs/dbraw/zinc/68/44/63/344684463.db2.gz CXMAZLOJKWHFPD-UHFFFAOYSA-N 0 0 176.325 2.537 10 0 AFAERN CC(=O)c1scc(C)c1Cl 232588044 344684739 /nfs/dbraw/zinc/68/47/39/344684739.db2.gz LTVGLHWDMXSJBN-UHFFFAOYSA-N 0 0 174.652 2.913 10 0 AFAERN Cc1ncc([C@H](O)CC(C)C)s1 232607648 344685708 /nfs/dbraw/zinc/68/57/08/344685708.db2.gz LQQKUTBSSKGVIJ-MRVPVSSYSA-N 0 0 185.292 2.531 10 0 AFAERN Cc1nc(CC(C)C)c(C)c(=S)[nH]1 232620445 344685865 /nfs/dbraw/zinc/68/58/65/344685865.db2.gz POZXJIWLPZSHIB-UHFFFAOYSA-N 0 0 196.319 2.581 10 0 AFAERN Cc1ncc([C@@H](O)CC(C)C)s1 232619687 344685879 /nfs/dbraw/zinc/68/58/79/344685879.db2.gz LQQKUTBSSKGVIJ-QMMMGPOBSA-N 0 0 185.292 2.531 10 0 AFAERN Cc1nc(CC(C)C)c(=S)[nH]c1C 232620208 344685880 /nfs/dbraw/zinc/68/58/80/344685880.db2.gz XOMYBNHOUJWMRV-UHFFFAOYSA-N 0 0 196.319 2.581 10 0 AFAERN CC(C)Cc1cccc(=S)[nH]1 232616633 344686082 /nfs/dbraw/zinc/68/60/82/344686082.db2.gz OZCAZVHIQRGASO-UHFFFAOYSA-N 0 0 167.277 2.569 10 0 AFAERN CC(C)C[C@H](C)Nc1cc(N)ns1 232633328 344686645 /nfs/dbraw/zinc/68/66/45/344686645.db2.gz CWCXIACNSJBADR-ZETCQYMHSA-N 0 0 199.323 2.572 10 0 AFAERN CC(C)=CCNc1ccc(C)cn1 232640174 344686709 /nfs/dbraw/zinc/68/67/09/344686709.db2.gz BHRBLNDVLHKLAB-UHFFFAOYSA-N 0 0 176.263 2.768 10 0 AFAERN CC(C)=CCNc1ncccc1C 232646938 344687109 /nfs/dbraw/zinc/68/71/09/344687109.db2.gz PZAXGGPMIPXDRJ-UHFFFAOYSA-N 0 0 176.263 2.768 10 0 AFAERN CC(C)=CCOc1ccc(F)cc1N 232654014 344687128 /nfs/dbraw/zinc/68/71/28/344687128.db2.gz FXRDDBYUXWLSRN-UHFFFAOYSA-N 0 0 195.237 2.753 10 0 AFAERN Cc1cc(NC(C)C)c(C)cc1O 232669425 344687382 /nfs/dbraw/zinc/68/73/82/344687382.db2.gz PYAAEHHKXKBWNJ-UHFFFAOYSA-N 0 0 179.263 2.829 10 0 AFAERN CC(C)Cc1cc(=S)cc[nH]1 232658077 344687500 /nfs/dbraw/zinc/68/75/00/344687500.db2.gz VCIDRZKESNBVKV-UHFFFAOYSA-N 0 0 167.277 2.943 10 0 AFAERN Cc1cnc(Cl)c(NC(C)C)c1 232669505 344687565 /nfs/dbraw/zinc/68/75/65/344687565.db2.gz BMLIJLNWMXUURY-UHFFFAOYSA-N 0 0 184.670 2.864 10 0 AFAERN Cc1cc(NC(C)C)c(N)cc1F 232669276 344687598 /nfs/dbraw/zinc/68/75/98/344687598.db2.gz RHWXZKPUIJFWRB-UHFFFAOYSA-N 0 0 182.242 2.537 10 0 AFAERN CC(C)Sc1ncccc1[C@H](C)O 232681663 344687912 /nfs/dbraw/zinc/68/79/12/344687912.db2.gz DJQCOHHJBVUXET-QMMMGPOBSA-N 0 0 197.303 2.635 10 0 AFAERN CC(C)Sc1ncccc1[C@@H](C)O 232681588 344688078 /nfs/dbraw/zinc/68/80/78/344688078.db2.gz DJQCOHHJBVUXET-MRVPVSSYSA-N 0 0 197.303 2.635 10 0 AFAERN CC(C)[C@@H]1CCc2[nH]c(=S)oc2C1 232691915 344688106 /nfs/dbraw/zinc/68/81/06/344688106.db2.gz HJJCXXVCQBFUII-SSDOTTSWSA-N 0 0 197.303 2.724 10 0 AFAERN Cc1cc(NC(C)C)cnc1Cl 232679608 344688161 /nfs/dbraw/zinc/68/81/61/344688161.db2.gz ZTZXAQQXFQSTKV-UHFFFAOYSA-N 0 0 184.670 2.864 10 0 AFAERN CC(C)c1cc(Cl)n[nH]c1=S 232726904 344688425 /nfs/dbraw/zinc/68/84/25/344688425.db2.gz ZCVUBDUAYUERER-UHFFFAOYSA-N 0 0 188.683 2.542 10 0 AFAERN CC(C)[C@H](C)S[C@H](C)[C@@H](C)O 232724811 344688437 /nfs/dbraw/zinc/68/84/37/344688437.db2.gz GJSUZLFXFKWLTC-HRDYMLBCSA-N 0 0 176.325 2.533 10 0 AFAERN CC(C)[C@H](C)S[C@@H]1CCC[C@@H]1O 232719553 344688463 /nfs/dbraw/zinc/68/84/63/344688463.db2.gz PMBBZHZUPUXFPX-LPEHRKFASA-N 0 0 188.336 2.678 10 0 AFAERN CC(C)Nc1nccc2occc12 232712341 344688506 /nfs/dbraw/zinc/68/85/06/344688506.db2.gz VGAROUSORTUYRV-UHFFFAOYSA-N 0 0 176.219 2.648 10 0 AFAERN CC(C)[C@H](C)S[C@@H]1CCC[C@H]1O 232719759 344688550 /nfs/dbraw/zinc/68/85/50/344688550.db2.gz PMBBZHZUPUXFPX-IVZWLZJFSA-N 0 0 188.336 2.678 10 0 AFAERN CC(C)[C@H](C)S[C@H]1CCC[C@@H]1O 232729012 344688625 /nfs/dbraw/zinc/68/86/25/344688625.db2.gz PMBBZHZUPUXFPX-GUBZILKMSA-N 0 0 188.336 2.678 10 0 AFAERN CC(C)[C@H](C)S[C@@H](C)[C@@H](C)O 232713508 344688629 /nfs/dbraw/zinc/68/86/29/344688629.db2.gz GJSUZLFXFKWLTC-VGMNWLOBSA-N 0 0 176.325 2.533 10 0 AFAERN CC(C)[C@H]1CCc2[nH]c(=S)oc2C1 232750915 344689057 /nfs/dbraw/zinc/68/90/57/344689057.db2.gz HJJCXXVCQBFUII-ZETCQYMHSA-N 0 0 197.303 2.724 10 0 AFAERN CC(C)c1[nH]c([C@H]2CC2(C)C)nc1O 232765103 344689379 /nfs/dbraw/zinc/68/93/79/344689379.db2.gz XLAAEKJPRPAATO-SSDOTTSWSA-N 0 0 194.278 2.752 10 0 AFAERN Cc1c(C(C)C)n[nH]c(=S)c1C 232768288 344689420 /nfs/dbraw/zinc/68/94/20/344689420.db2.gz JLGMUXDRJFYOIL-UHFFFAOYSA-N 0 0 182.292 2.506 10 0 AFAERN CC(C)c1cc(=S)[nH]c(C2CC2)n1 232765115 344689427 /nfs/dbraw/zinc/68/94/27/344689427.db2.gz UFKPKXUVKQJJMO-UHFFFAOYSA-N 0 0 194.303 2.766 10 0 AFAERN Cc1nc(C(C)C)c(=S)[nH]c1C 232766461 344689448 /nfs/dbraw/zinc/68/94/48/344689448.db2.gz GRHLJZTUSDGSFZ-UHFFFAOYSA-N 0 0 182.292 2.506 10 0 AFAERN Cc1nc(C(C)C)c(C)c(=S)[nH]1 232767867 344689508 /nfs/dbraw/zinc/68/95/08/344689508.db2.gz RHZDDKKZRKWPJN-UHFFFAOYSA-N 0 0 182.292 2.506 10 0 AFAERN CC(C)[C@H](C)Sc1ccnc(N)c1 232769614 344689528 /nfs/dbraw/zinc/68/95/28/344689528.db2.gz KIXRUHLJFNWTDW-QMMMGPOBSA-N 0 0 196.319 2.800 10 0 AFAERN CC(C)c1c(C2CC2)nc[nH]c1=S 232760840 344689549 /nfs/dbraw/zinc/68/95/49/344689549.db2.gz RBPVSHKSTFKXHZ-UHFFFAOYSA-N 0 0 194.303 2.766 10 0 AFAERN CC(C)[C@H](C)SCCCCO 232772269 344689569 /nfs/dbraw/zinc/68/95/69/344689569.db2.gz DWZLMGGVWMRWRY-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)c1[nH]c([C@@H]2CC2(C)C)nc1O 232763921 344689645 /nfs/dbraw/zinc/68/96/45/344689645.db2.gz XLAAEKJPRPAATO-ZETCQYMHSA-N 0 0 194.278 2.752 10 0 AFAERN CC(C)C1(Cn2cccc2)CC1 232768540 344689697 /nfs/dbraw/zinc/68/96/97/344689697.db2.gz UVUHDHAKUQKDRR-UHFFFAOYSA-N 0 0 163.264 2.924 10 0 AFAERN Cc1cc(C)c(OC(C)C)cc1N 232760674 344689699 /nfs/dbraw/zinc/68/96/99/344689699.db2.gz ONLOONDUJJPTEA-UHFFFAOYSA-N 0 0 179.263 2.673 10 0 AFAERN CC(C)c1cc(=S)cc[nH]1 232768255 344689707 /nfs/dbraw/zinc/68/97/07/344689707.db2.gz PLNDFXAVNZTLRG-UHFFFAOYSA-N 0 0 153.250 2.868 10 0 AFAERN CC(C)[C@@]1(O)CC(C)(C)C[C@@H]1C 232787461 344690348 /nfs/dbraw/zinc/69/03/48/344690348.db2.gz QKPKLUNELDYWQB-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN CC1(C)C[C@H]1C(=O)[C@@H]1CCCCS1 232787966 344690395 /nfs/dbraw/zinc/69/03/95/344690395.db2.gz GGOINOWKNBMCJR-IUCAKERBSA-N 0 0 198.331 2.887 10 0 AFAERN CC(C)[C@]1(O)CC(C)(C)C[C@@H]1C 232787477 344690427 /nfs/dbraw/zinc/69/04/27/344690427.db2.gz QKPKLUNELDYWQB-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN CC1(C)C[C@H]1C(=O)[C@H]1CCCCS1 232789543 344690478 /nfs/dbraw/zinc/69/04/78/344690478.db2.gz GGOINOWKNBMCJR-DTWKUNHWSA-N 0 0 198.331 2.887 10 0 AFAERN CC(C)[C@@]1(O)CC(C)(C)C[C@H]1C 232787501 344690514 /nfs/dbraw/zinc/69/05/14/344690514.db2.gz QKPKLUNELDYWQB-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CC1(C)C[C@H]1C(=O)[C@]1(C)CCCS1 232790109 344690519 /nfs/dbraw/zinc/69/05/19/344690519.db2.gz GRNCLRYYRKHNCO-KWQFWETISA-N 0 0 198.331 2.887 10 0 AFAERN CC(C)[C@]1(O)CC(C)(C)C[C@H]1C 232787514 344690564 /nfs/dbraw/zinc/69/05/64/344690564.db2.gz QKPKLUNELDYWQB-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN CC1(C)C[C@H]1C(=O)c1cccs1 232794734 344690762 /nfs/dbraw/zinc/69/07/62/344690762.db2.gz NUWOCNVHNZYXSY-ZETCQYMHSA-N 0 0 180.272 2.977 10 0 AFAERN CC1(C)C[C@@H]1C(=O)C1CCCC1 232792253 344690831 /nfs/dbraw/zinc/69/08/31/344690831.db2.gz ZMQQJWKJUOFUTN-SECBINFHSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)C[C@H]1C(=O)c1ccoc1 232794840 344690880 /nfs/dbraw/zinc/69/08/80/344690880.db2.gz JAWGDDCKDDMZLM-QMMMGPOBSA-N 0 0 164.204 2.508 10 0 AFAERN CC1(C)C[C@H]1C(=O)c1ccco1 232794680 344690942 /nfs/dbraw/zinc/69/09/42/344690942.db2.gz BXGCUNIDYIMKIO-ZETCQYMHSA-N 0 0 164.204 2.508 10 0 AFAERN CC1(C)C[C@@H]1C(=O)Cc1ccccc1 232797212 344691368 /nfs/dbraw/zinc/69/13/68/344691368.db2.gz HPDVMIQZTVILPB-LLVKDONJSA-N 0 0 188.270 2.844 10 0 AFAERN CC1CCC(C2(O)CC(C)C2)CC1 232802232 344691416 /nfs/dbraw/zinc/69/14/16/344691416.db2.gz KVNCFXQRRBJLFU-UHFFFAOYSA-N 0 0 182.307 2.974 10 0 AFAERN CC1(C)C[C@H]1C(=O)c1ccsc1 232794901 344691419 /nfs/dbraw/zinc/69/14/19/344691419.db2.gz KVYUYVBDMQHZLE-QMMMGPOBSA-N 0 0 180.272 2.977 10 0 AFAERN CC(C)[C@@H](C)S[C@H]1CCC[C@@H]1O 232803446 344691791 /nfs/dbraw/zinc/69/17/91/344691791.db2.gz PMBBZHZUPUXFPX-UTLUCORTSA-N 0 0 188.336 2.678 10 0 AFAERN CC1(C)C[C@H]1[C@H](O)c1cccc(F)c1 232814935 344692282 /nfs/dbraw/zinc/69/22/82/344692282.db2.gz URJYZNVOIBUDAR-WDEREUQCSA-N 0 0 194.249 2.905 10 0 AFAERN CC1(C)CCCc2oc(=S)[nH]c21 232819508 344692927 /nfs/dbraw/zinc/69/29/27/344692927.db2.gz KNZMPUOUIAPGJN-UHFFFAOYSA-N 0 0 183.276 2.577 10 0 AFAERN CC(C)C(C)(C)CNc1ccncn1 232818029 344693004 /nfs/dbraw/zinc/69/30/04/344693004.db2.gz GOBUZIVTYHAXPN-UHFFFAOYSA-N 0 0 193.294 2.571 10 0 AFAERN CC1(C)C[C@@H]1[C@@H](O)c1cccc(F)c1 232825723 344693281 /nfs/dbraw/zinc/69/32/81/344693281.db2.gz URJYZNVOIBUDAR-MNOVXSKESA-N 0 0 194.249 2.905 10 0 AFAERN CC1(C)C[C@H]1c1nc(Cl)ns1 232823883 344693362 /nfs/dbraw/zinc/69/33/62/344693362.db2.gz JYHYRMCSBYIZIX-BYPYZUCNSA-N 0 0 188.683 2.705 10 0 AFAERN CC1CCC(O)(C(=O)C(C)(C)C)CC1 232822869 344693383 /nfs/dbraw/zinc/69/33/83/344693383.db2.gz OUDSHPSQXVUYBU-UHFFFAOYSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)[C@@H](C)Sc1cccc(N)n1 232830116 344693678 /nfs/dbraw/zinc/69/36/78/344693678.db2.gz ZNZBYLXJHHOWEF-MRVPVSSYSA-N 0 0 196.319 2.800 10 0 AFAERN CCC(=O)c1ccoc1Cl 232829434 344693741 /nfs/dbraw/zinc/69/37/41/344693741.db2.gz UCKSPJQLHDEAIJ-UHFFFAOYSA-N 0 0 158.584 2.526 10 0 AFAERN CC1(C)C[C@H]1c1nnc(Cl)s1 232829565 344693821 /nfs/dbraw/zinc/69/38/21/344693821.db2.gz YKCJJGBCVAMNNP-BYPYZUCNSA-N 0 0 188.683 2.705 10 0 AFAERN CC1(C)C[C@H]1c1nccc(Cl)n1 232827246 344693874 /nfs/dbraw/zinc/69/38/74/344693874.db2.gz KTUCCYNZVOJZJF-LURJTMIESA-N 0 0 182.654 2.644 10 0 AFAERN CC1(CNc2ncc(F)cc2F)CC1 232833807 344694052 /nfs/dbraw/zinc/69/40/52/344694052.db2.gz VQSXRNRAABYEQK-UHFFFAOYSA-N 0 0 198.216 2.572 10 0 AFAERN CC1CC(NOCc2ccccc2)C1 232836629 344694070 /nfs/dbraw/zinc/69/40/70/344694070.db2.gz VSCLPYXWJZEGNE-UHFFFAOYSA-N 0 0 191.274 2.506 10 0 AFAERN CC1([C@@H](NN)C2CCC2)CCCCC1 232836706 344694113 /nfs/dbraw/zinc/69/41/13/344694113.db2.gz DVVKWYMEJRGOBS-NSHDSACASA-N 0 0 196.338 2.589 10 0 AFAERN CC(C)[C@@H](C)Sc1ccnc(N)c1 232831589 344694124 /nfs/dbraw/zinc/69/41/24/344694124.db2.gz KIXRUHLJFNWTDW-MRVPVSSYSA-N 0 0 196.319 2.800 10 0 AFAERN CC1(C)C[C@H]1c1nsc(Cl)n1 232837034 344694164 /nfs/dbraw/zinc/69/41/64/344694164.db2.gz CCFFRPNXRGWECT-BYPYZUCNSA-N 0 0 188.683 2.705 10 0 AFAERN CCC(=O)C1CC(C(C)C)C1 232834496 344694209 /nfs/dbraw/zinc/69/42/09/344694209.db2.gz NXQPBVAUEKKHSW-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN CC1([C@@H](O)C2CC2)CCCCC1 232841154 344694474 /nfs/dbraw/zinc/69/44/74/344694474.db2.gz CZLOYSQGAXRKQY-JTQLQIEISA-N 0 0 168.280 2.728 10 0 AFAERN CC1(C)C[C@@H]1C(=O)[C@]1(C)CCCS1 232857647 344694789 /nfs/dbraw/zinc/69/47/89/344694789.db2.gz GRNCLRYYRKHNCO-KCJUWKMLSA-N 0 0 198.331 2.887 10 0 AFAERN CC1CC(Nc2ccsc2)C1 232856632 344694842 /nfs/dbraw/zinc/69/48/42/344694842.db2.gz UJJSIPDHYYRTFD-UHFFFAOYSA-N 0 0 167.277 2.959 10 0 AFAERN CC1(C)C[C@@H]1[C@H](O)c1cccc(F)c1 232856643 344694875 /nfs/dbraw/zinc/69/48/75/344694875.db2.gz URJYZNVOIBUDAR-GHMZBOCLSA-N 0 0 194.249 2.905 10 0 AFAERN CC1CC(Nc2cnccc2Cl)C1 232856874 344694897 /nfs/dbraw/zinc/69/48/97/344694897.db2.gz VAUQNHFILOCTMO-UHFFFAOYSA-N 0 0 196.681 2.945 10 0 AFAERN CC1(C)C[C@@H]1C(=O)[C@H]1CCCCS1 232857060 344694937 /nfs/dbraw/zinc/69/49/37/344694937.db2.gz GGOINOWKNBMCJR-RKDXNWHRSA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)C[C@@H]1C(=O)[C@@]1(C)CCCS1 232856065 344694965 /nfs/dbraw/zinc/69/49/65/344694965.db2.gz GRNCLRYYRKHNCO-LDYMZIIASA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)C[C@@H]1C(=O)[C@@H]1CCCCS1 232855479 344695055 /nfs/dbraw/zinc/69/50/55/344695055.db2.gz GGOINOWKNBMCJR-BDAKNGLRSA-N 0 0 198.331 2.887 10 0 AFAERN CC1CC(Nc2ccc(O)c(F)c2)C1 232852970 344695066 /nfs/dbraw/zinc/69/50/66/344695066.db2.gz RAYRXDIZFZLGHL-UHFFFAOYSA-N 0 0 195.237 2.742 10 0 AFAERN Cc1ccc(NC2CC(C)C2)cc1O 232849903 344695097 /nfs/dbraw/zinc/69/50/97/344695097.db2.gz SYWMFSQCUQZXAD-UHFFFAOYSA-N 0 0 191.274 2.911 10 0 AFAERN CC1(C)C[C@@H]1C(=O)c1ccsc1 232861201 344695201 /nfs/dbraw/zinc/69/52/01/344695201.db2.gz KVYUYVBDMQHZLE-MRVPVSSYSA-N 0 0 180.272 2.977 10 0 AFAERN CC1(C)C[C@@H]1C(=O)c1ccoc1 232861160 344695274 /nfs/dbraw/zinc/69/52/74/344695274.db2.gz JAWGDDCKDDMZLM-MRVPVSSYSA-N 0 0 164.204 2.508 10 0 AFAERN CC1(C)C[C@@H]1C(=O)c1cccs1 232861085 344695352 /nfs/dbraw/zinc/69/53/52/344695352.db2.gz NUWOCNVHNZYXSY-SSDOTTSWSA-N 0 0 180.272 2.977 10 0 AFAERN CC1(C)C[C@@H]1C(=O)c1ccco1 232861056 344695440 /nfs/dbraw/zinc/69/54/40/344695440.db2.gz BXGCUNIDYIMKIO-SSDOTTSWSA-N 0 0 164.204 2.508 10 0 AFAERN CC1(C)C[C@@H]1c1nc(Cl)ns1 232862108 344695456 /nfs/dbraw/zinc/69/54/56/344695456.db2.gz JYHYRMCSBYIZIX-SCSAIBSYSA-N 0 0 188.683 2.705 10 0 AFAERN CC1CC(O)(Cc2cccc(F)c2)C1 232867154 344695664 /nfs/dbraw/zinc/69/56/64/344695664.db2.gz YJEQJOGQTBWMGR-UHFFFAOYSA-N 0 0 194.249 2.529 10 0 AFAERN CCC(CC)[C@]1(O)CCS[C@@H]1C 232864610 344695841 /nfs/dbraw/zinc/69/58/41/344695841.db2.gz QEDJIBDWFIRILG-SCZZXKLOSA-N 0 0 188.336 2.679 10 0 AFAERN CCC(CC)[C@]1(O)CCS[C@H]1C 232864656 344695844 /nfs/dbraw/zinc/69/58/44/344695844.db2.gz QEDJIBDWFIRILG-WPRPVWTQSA-N 0 0 188.336 2.679 10 0 AFAERN CC1(C)C[C@@H]1c1nccc(Cl)n1 232864143 344695848 /nfs/dbraw/zinc/69/58/48/344695848.db2.gz KTUCCYNZVOJZJF-ZCFIWIBFSA-N 0 0 182.654 2.644 10 0 AFAERN CC1CC(O)([C@@H]2CCC[C@H](C)C2)C1 232869505 344696042 /nfs/dbraw/zinc/69/60/42/344696042.db2.gz IVTSVWQLJXDXFJ-UZEXVOJHSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccccc1C1(O)CC(C)C1 232874873 344696084 /nfs/dbraw/zinc/69/60/84/344696084.db2.gz OJGKWIHTGMYXHP-UHFFFAOYSA-N 0 0 176.259 2.613 10 0 AFAERN CC1([C@H](O)C2CC2)CCCCC1 232874603 344696098 /nfs/dbraw/zinc/69/60/98/344696098.db2.gz CZLOYSQGAXRKQY-SNVBAGLBSA-N 0 0 168.280 2.728 10 0 AFAERN CC1(C)C[C@@H]1c1nsc(Cl)n1 232869905 344696122 /nfs/dbraw/zinc/69/61/22/344696122.db2.gz CCFFRPNXRGWECT-SCSAIBSYSA-N 0 0 188.683 2.705 10 0 AFAERN CC1CC(O)(c2cc(F)cc(F)c2)C1 232872861 344696124 /nfs/dbraw/zinc/69/61/24/344696124.db2.gz KGIJFOUPTUJYRU-UHFFFAOYSA-N 0 0 198.212 2.582 10 0 AFAERN CC1([C@H](NN)C2CCC2)CCCCC1 232871624 344696132 /nfs/dbraw/zinc/69/61/32/344696132.db2.gz DVVKWYMEJRGOBS-LLVKDONJSA-N 0 0 196.338 2.589 10 0 AFAERN Cc1cc(F)cc(C2(O)CC(C)C2)c1 232872541 344696138 /nfs/dbraw/zinc/69/61/38/344696138.db2.gz FSVLFEXLNOHSLE-UHFFFAOYSA-N 0 0 194.249 2.752 10 0 AFAERN CC1CC(O)([C@H]2CCC[C@@H](C)C2)C1 232870915 344696158 /nfs/dbraw/zinc/69/61/58/344696158.db2.gz IVTSVWQLJXDXFJ-ZYGVAYEYSA-N 0 0 182.307 2.974 10 0 AFAERN CC1CC(O)([C@H]2CCC[C@H](C)C2)C1 232870985 344696171 /nfs/dbraw/zinc/69/61/71/344696171.db2.gz IVTSVWQLJXDXFJ-VOBJUBJWSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)c1c(N)n[nH]c1[C@H]1CC1(C)C 232878218 344696179 /nfs/dbraw/zinc/69/61/79/344696179.db2.gz OYWPCARIQMVLJU-SSDOTTSWSA-N 0 0 193.294 2.629 10 0 AFAERN CC(C)c1c(N)n[nH]c1[C@@H]1CC1(C)C 232878137 344696214 /nfs/dbraw/zinc/69/62/14/344696214.db2.gz OYWPCARIQMVLJU-ZETCQYMHSA-N 0 0 193.294 2.629 10 0 AFAERN CC1CC(O)(c2ccccc2Cl)C1 232874938 344696231 /nfs/dbraw/zinc/69/62/31/344696231.db2.gz KYALCYVZRPGBNW-UHFFFAOYSA-N 0 0 196.677 2.958 10 0 AFAERN CC1CC(O)([C@@H]2CCC[C@@H](C)C2)C1 232869411 344696251 /nfs/dbraw/zinc/69/62/51/344696251.db2.gz IVTSVWQLJXDXFJ-QTAHKJALSA-N 0 0 182.307 2.974 10 0 AFAERN CC1CC(O)(c2c(F)cccc2F)C1 232872307 344696252 /nfs/dbraw/zinc/69/62/52/344696252.db2.gz VMBIFMUSQJQHAU-UHFFFAOYSA-N 0 0 198.212 2.582 10 0 AFAERN Cc1ccc(C2(O)CC(C)C2)cc1C 232873490 344696285 /nfs/dbraw/zinc/69/62/85/344696285.db2.gz FSQVTNUREVUREV-UHFFFAOYSA-N 0 0 190.286 2.921 10 0 AFAERN Cc1cc(C2(O)CC(C)C2)ccc1F 232874017 344696301 /nfs/dbraw/zinc/69/63/01/344696301.db2.gz QBRBWTQSUGECPH-UHFFFAOYSA-N 0 0 194.249 2.752 10 0 AFAERN CC1(C2N=NC(=S)O2)CCCCC1 232890514 344696443 /nfs/dbraw/zinc/69/64/43/344696443.db2.gz WYEIOILJPXOODI-UHFFFAOYSA-N 0 0 198.291 2.580 10 0 AFAERN CC1(C)C[C@H]1C(=O)C1CCCC1 232898452 344696484 /nfs/dbraw/zinc/69/64/84/344696484.db2.gz ZMQQJWKJUOFUTN-VIFPVBQESA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)C[C@H]1C(=O)CC1CCC1 232898828 344696538 /nfs/dbraw/zinc/69/65/38/344696538.db2.gz IJEPMXYSSBETCI-VIFPVBQESA-N 0 0 166.264 2.792 10 0 AFAERN CCCC(C)(C)Nc1cc(C)cnn1 232912732 344696930 /nfs/dbraw/zinc/69/69/30/344696930.db2.gz PYEALSKNPALZHR-UHFFFAOYSA-N 0 0 193.294 2.776 10 0 AFAERN CC1(C)C[C@H]1C(=O)Cc1ccsc1 232902653 344697023 /nfs/dbraw/zinc/69/70/23/344697023.db2.gz IKHHXXPSQIOHNU-VIFPVBQESA-N 0 0 194.299 2.906 10 0 AFAERN CCCC(=O)c1ccoc1Cl 232916291 344697026 /nfs/dbraw/zinc/69/70/26/344697026.db2.gz SAYGOUNIHQGWBV-UHFFFAOYSA-N 0 0 172.611 2.916 10 0 AFAERN CC1(C)C[C@H]1C(=O)Cc1ccccc1 232902053 344697073 /nfs/dbraw/zinc/69/70/73/344697073.db2.gz HPDVMIQZTVILPB-NSHDSACASA-N 0 0 188.270 2.844 10 0 AFAERN CCCC(=O)c1ccc(Cl)o1 232914938 344697113 /nfs/dbraw/zinc/69/71/13/344697113.db2.gz JZIVEICTHKDUEU-UHFFFAOYSA-N 0 0 172.611 2.916 10 0 AFAERN CC1(C)C[C@H]1CNc1ccnc(F)c1 232936535 344697519 /nfs/dbraw/zinc/69/75/19/344697519.db2.gz JKYPUZYMVLCXGO-QMMMGPOBSA-N 0 0 194.253 2.679 10 0 AFAERN CC1(C)C[C@@H]1CNc1ccnc(F)c1 232975150 344698013 /nfs/dbraw/zinc/69/80/13/344698013.db2.gz JKYPUZYMVLCXGO-MRVPVSSYSA-N 0 0 194.253 2.679 10 0 AFAERN CCC1(CNc2ccccc2N)CC1 232971545 344698247 /nfs/dbraw/zinc/69/82/47/344698247.db2.gz RHZKSPHAGLEOTP-UHFFFAOYSA-N 0 0 190.290 2.871 10 0 AFAERN CC1(C)C[C@@H]1CNc1cccc(N)c1 232974295 344698251 /nfs/dbraw/zinc/69/82/51/344698251.db2.gz OXLFYXRAZXYVRK-SECBINFHSA-N 0 0 190.290 2.727 10 0 AFAERN CCCCc1cc(F)ccc1C=O 233011747 344698577 /nfs/dbraw/zinc/69/85/77/344698577.db2.gz LICSPGCJCZKYJP-UHFFFAOYSA-N 0 0 180.222 2.981 10 0 AFAERN CCC(C)(C)CNc1ccc(N)nc1 233029053 344699162 /nfs/dbraw/zinc/69/91/62/344699162.db2.gz RBRJGUKINRGIDF-UHFFFAOYSA-N 0 0 193.294 2.512 10 0 AFAERN CCCCc1cccc(=S)[nH]1 233032678 344699170 /nfs/dbraw/zinc/69/91/70/344699170.db2.gz KLNBRFURUFSCJH-UHFFFAOYSA-N 0 0 167.277 2.713 10 0 AFAERN CCC(C)(C)CNc1cncc(N)c1 233035269 344699192 /nfs/dbraw/zinc/69/91/92/344699192.db2.gz RQYRHMRQXKWVKH-UHFFFAOYSA-N 0 0 193.294 2.512 10 0 AFAERN CCCCCSCCCCO 233034192 344699231 /nfs/dbraw/zinc/69/92/31/344699231.db2.gz FDWCJGNQOJIPJJ-UHFFFAOYSA-N 0 0 176.325 2.682 10 0 AFAERN CCCNc1cc(C)c(F)cc1N 233194279 344699671 /nfs/dbraw/zinc/69/96/71/344699671.db2.gz GIESNSGRJSGKEJ-UHFFFAOYSA-N 0 0 182.242 2.538 10 0 AFAERN CCC[C@@H](C)C1=C[C@@H](O)CC1 233273921 344699747 /nfs/dbraw/zinc/69/97/47/344699747.db2.gz GUWXDJYTSMFKKI-SCZZXKLOSA-N 0 0 154.253 2.504 10 0 AFAERN CCC[C@@H](C)[C@H]1CCC(=O)C1 233282955 344699755 /nfs/dbraw/zinc/69/97/55/344699755.db2.gz CNULLWGXVMDZDQ-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@@H](C)[C@@H]1CCC(=O)C1 233283070 344699798 /nfs/dbraw/zinc/69/97/98/344699798.db2.gz CNULLWGXVMDZDQ-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CCCNc1cc(C)cnc1Cl 233194658 344699835 /nfs/dbraw/zinc/69/98/35/344699835.db2.gz XSXYGEGYAXRFLW-UHFFFAOYSA-N 0 0 184.670 2.865 10 0 AFAERN CCCNc1cc(C)c(O)cc1C 233194288 344699852 /nfs/dbraw/zinc/69/98/52/344699852.db2.gz LKRSZCMIGYGMDN-UHFFFAOYSA-N 0 0 179.263 2.831 10 0 AFAERN CCC[C@@H](C)C1=C[C@H](O)CC1 233273954 344699859 /nfs/dbraw/zinc/69/98/59/344699859.db2.gz GUWXDJYTSMFKKI-PSASIEDQSA-N 0 0 154.253 2.504 10 0 AFAERN CCCNc1nccc2occc12 233203561 344699882 /nfs/dbraw/zinc/69/98/82/344699882.db2.gz GYVAPMAFPFRCRS-UHFFFAOYSA-N 0 0 176.219 2.650 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)[C@@H]1CC1(C)C 233299968 344700077 /nfs/dbraw/zinc/70/00/77/344700077.db2.gz KYAZFZUYYFIGEC-KKZNHRDASA-N 0 0 168.280 2.584 10 0 AFAERN CCC[C@@H](C)n1cnc(C)c1C 233286682 344700256 /nfs/dbraw/zinc/70/02/56/344700256.db2.gz CKASGQOYKUVHOJ-MRVPVSSYSA-N 0 0 166.268 2.861 10 0 AFAERN CCC[C@@H](O)c1ccc(Cl)o1 233295882 344700276 /nfs/dbraw/zinc/70/02/76/344700276.db2.gz DFYNONODWCQVAV-ZCFIWIBFSA-N 0 0 174.627 2.767 10 0 AFAERN CCC[C@@H](O)CC/C=C/Cl 233298891 344700292 /nfs/dbraw/zinc/70/02/92/344700292.db2.gz AQLJAFBEIXBJQZ-RXLGXGPVSA-N 0 0 162.660 2.680 10 0 AFAERN CCC[C@H](C)C1=C[C@@H](O)CC1 233327620 344700631 /nfs/dbraw/zinc/70/06/31/344700631.db2.gz GUWXDJYTSMFKKI-WPRPVWTQSA-N 0 0 154.253 2.504 10 0 AFAERN CCC[C@H](C)C1=C[C@H](O)CC1 233327644 344700683 /nfs/dbraw/zinc/70/06/83/344700683.db2.gz GUWXDJYTSMFKKI-WCBMZHEXSA-N 0 0 154.253 2.504 10 0 AFAERN CCC[C@@H]1CCc2[nH]c(=S)oc2C1 233310952 344700691 /nfs/dbraw/zinc/70/06/91/344700691.db2.gz BJPRHNXQOYMVOH-SSDOTTSWSA-N 0 0 197.303 2.868 10 0 AFAERN CCC[C@H](C)[C@H]1CC[C@@H](O)C1 233339066 344700731 /nfs/dbraw/zinc/70/07/31/344700731.db2.gz ZAYPPRQOVVFSOU-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@H](C)[C@H]1CCC(=O)C1 233338900 344700760 /nfs/dbraw/zinc/70/07/60/344700760.db2.gz CNULLWGXVMDZDQ-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@@H]1C[C@]1(O)[C@@H]1CC1(C)C 233314207 344700765 /nfs/dbraw/zinc/70/07/65/344700765.db2.gz KYAZFZUYYFIGEC-FXPVBKGRSA-N 0 0 168.280 2.584 10 0 AFAERN CCC[C@@H]1C[C@H]1n1c(C)c[nH]c1=S 233313134 344700817 /nfs/dbraw/zinc/70/08/17/344700817.db2.gz HEMLYXLJIHGZDC-RKDXNWHRSA-N 0 0 196.319 2.841 10 0 AFAERN CCC[C@@H]1C[C@H]1n1cc[nH]c1=S 233313838 344700824 /nfs/dbraw/zinc/70/08/24/344700824.db2.gz LNEMPFWAPROXGH-HTQZYQBOSA-N 0 0 182.292 2.533 10 0 AFAERN CCC[C@H](C)[C@@H]1CC[C@@H](O)[C@@H]1C 233341965 344701128 /nfs/dbraw/zinc/70/11/28/344701128.db2.gz GESDMZMHWPOEPC-ZRUFSTJUSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@H](C)[C@@H]1CCC(=O)C1 233341709 344701235 /nfs/dbraw/zinc/70/12/35/344701235.db2.gz CNULLWGXVMDZDQ-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@H](O)CC/C=C/Cl 233379518 344701555 /nfs/dbraw/zinc/70/15/55/344701555.db2.gz AQLJAFBEIXBJQZ-IPWDFOCMSA-N 0 0 162.660 2.680 10 0 AFAERN CCC[C@H]1CCc2[nH]c(=S)oc2C1 233407602 344701630 /nfs/dbraw/zinc/70/16/30/344701630.db2.gz BJPRHNXQOYMVOH-ZETCQYMHSA-N 0 0 197.303 2.868 10 0 AFAERN CCC[C@H](O)c1ccc(Cl)o1 233393106 344701732 /nfs/dbraw/zinc/70/17/32/344701732.db2.gz DFYNONODWCQVAV-LURJTMIESA-N 0 0 174.627 2.767 10 0 AFAERN CCC[C@H]1C[C@H]1n1cc[nH]c1=S 233450734 344702134 /nfs/dbraw/zinc/70/21/34/344702134.db2.gz LNEMPFWAPROXGH-JGVFFNPUSA-N 0 0 182.292 2.533 10 0 AFAERN CCC[C@H]1C[C@@H]1n1c(C)c[nH]c1=S 233452644 344702136 /nfs/dbraw/zinc/70/21/36/344702136.db2.gz HEMLYXLJIHGZDC-IUCAKERBSA-N 0 0 196.319 2.841 10 0 AFAERN CCC[C@H]1C[C@@H]1n1cc[nH]c1=S 233455753 344702265 /nfs/dbraw/zinc/70/22/65/344702265.db2.gz LNEMPFWAPROXGH-YUMQZZPRSA-N 0 0 182.292 2.533 10 0 AFAERN CCNc1cc(F)c(C)cc1F 233653489 344703480 /nfs/dbraw/zinc/70/34/80/344703480.db2.gz PEHALCDQOPDMNR-UHFFFAOYSA-N 0 0 171.190 2.705 10 0 AFAERN CCOC(=O)c1c(C)cc(C)cc1F 233699761 344703564 /nfs/dbraw/zinc/70/35/64/344703564.db2.gz SDEVCXXYTGHYJN-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN CCO[C@H]1C[C@@H](n2cccc2)C1(C)C 233797753 344704308 /nfs/dbraw/zinc/70/43/08/344704308.db2.gz ZFRBADOTJYEXNZ-MNOVXSKESA-N 0 0 193.290 2.864 10 0 AFAERN CCO[C@@H]1C[C@H](n2cccc2)C1(C)C 233762320 344704322 /nfs/dbraw/zinc/70/43/22/344704322.db2.gz ZFRBADOTJYEXNZ-WDEREUQCSA-N 0 0 193.290 2.864 10 0 AFAERN CCOCc1ccc2c(c1)NCCC2 233762620 344704335 /nfs/dbraw/zinc/70/43/35/344704335.db2.gz PHLIOLPVLUXPBL-UHFFFAOYSA-N 0 0 191.274 2.581 10 0 AFAERN CCSc1nc(F)c(F)cc1F 233824613 344704946 /nfs/dbraw/zinc/70/49/46/344704946.db2.gz LFEPOVXFJVYESD-UHFFFAOYSA-N 0 0 193.193 2.611 10 0 AFAERN CC[C@@H](C)Nc1cccc(C)c1N 233863581 344705170 /nfs/dbraw/zinc/70/51/70/344705170.db2.gz UEVXSEMRYULXKR-SECBINFHSA-N 0 0 178.279 2.788 10 0 AFAERN CCSc1cccc(F)c1C=O 233870462 344705263 /nfs/dbraw/zinc/70/52/63/344705263.db2.gz ICZNLPFOXUENMQ-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN CCSc1cc(C)c(F)cc1N 233865967 344705271 /nfs/dbraw/zinc/70/52/71/344705271.db2.gz IVLZWEIZPJZZEZ-UHFFFAOYSA-N 0 0 185.267 2.828 10 0 AFAERN CC[C@@H](C)Nc1cc(C)c(F)cc1N 233860770 344705319 /nfs/dbraw/zinc/70/53/19/344705319.db2.gz NYZJNBOYYOMLJG-MRVPVSSYSA-N 0 0 196.269 2.927 10 0 AFAERN CC[C@@H](C)N(C)c1cccc(C)c1N 233863744 344705338 /nfs/dbraw/zinc/70/53/38/344705338.db2.gz CHHAMTLNBWXDSA-SNVBAGLBSA-N 0 0 192.306 2.812 10 0 AFAERN CC[C@@H](NN)C1=CCCCCCC1 233892312 344705899 /nfs/dbraw/zinc/70/58/99/344705899.db2.gz YXGSEANISIVZRO-LLVKDONJSA-N 0 0 182.311 2.509 10 0 AFAERN CC[C@@H]1C(=O)Nc2c(Cl)cccc21 233906198 344706120 /nfs/dbraw/zinc/70/61/20/344706120.db2.gz JJDRUOUMAGJYII-LURJTMIESA-N 0 0 195.649 2.786 10 0 AFAERN CC[C@@H](O)c1c(C)cc(C)cc1F 233904299 344706181 /nfs/dbraw/zinc/70/61/81/344706181.db2.gz REXMZRUAZARBFL-SNVBAGLBSA-N 0 0 182.238 2.886 10 0 AFAERN CC[C@@H](O)c1ccc(C)c(C)c1OC 233904881 344706291 /nfs/dbraw/zinc/70/62/91/344706291.db2.gz RVFGRXUIPGNKMT-LLVKDONJSA-N 0 0 194.274 2.755 10 0 AFAERN CC[C@@H]1C(=O)Nc2c(C)cc(C)cc21 233906176 344706306 /nfs/dbraw/zinc/70/63/06/344706306.db2.gz NCZJQEAVBXWFPR-VIFPVBQESA-N 0 0 189.258 2.749 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1cc(N)ccc1C 233913350 344706336 /nfs/dbraw/zinc/70/63/36/344706336.db2.gz NHJZBZBCRJYSDS-BXKDBHETSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H](O)c1cc(F)c(F)cc1F 233904752 344706359 /nfs/dbraw/zinc/70/63/59/344706359.db2.gz XZXIWQFKEIIROU-SECBINFHSA-N 0 0 190.164 2.547 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ncccc1C 233918491 344706555 /nfs/dbraw/zinc/70/65/55/344706555.db2.gz VMFTWBUATDLWST-NXEZZACHSA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1nc(C)cs1 233916791 344706563 /nfs/dbraw/zinc/70/65/63/344706563.db2.gz GWNZBEUJSIAFCW-HTQZYQBOSA-N 0 0 182.292 2.662 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cc(N)ccc1C 233917602 344706583 /nfs/dbraw/zinc/70/65/83/344706583.db2.gz NHJZBZBCRJYSDS-SKDRFNHKSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ccc(N)cc1C 233918843 344706605 /nfs/dbraw/zinc/70/66/05/344706605.db2.gz SODYZFCEZUBTBP-SKDRFNHKSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccc(F)cc1N 233914484 344706662 /nfs/dbraw/zinc/70/66/62/344706662.db2.gz JJAIHTJAPBYIMO-RDDDGLTNSA-N 0 0 194.253 2.618 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ccc(C)cc1N 233918510 344706667 /nfs/dbraw/zinc/70/66/67/344706667.db2.gz PPYXZPLJPMRABA-SKDRFNHKSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccc(C)cc1N 233914382 344706699 /nfs/dbraw/zinc/70/66/99/344706699.db2.gz PPYXZPLJPMRABA-BXKDBHETSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ccc(F)cc1N 233918572 344706702 /nfs/dbraw/zinc/70/67/02/344706702.db2.gz JJAIHTJAPBYIMO-HQJQHLMTSA-N 0 0 194.253 2.618 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1cccc(Cl)n1 233915324 344706706 /nfs/dbraw/zinc/70/67/06/344706706.db2.gz RUXAPWQTCHDNKI-HTQZYQBOSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ncc(F)cc1F 233918083 344706721 /nfs/dbraw/zinc/70/67/21/344706721.db2.gz BHQGTHQKNKHPLE-HZGVNTEJSA-N 0 0 198.216 2.570 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cccc(Cl)n1 233919061 344706745 /nfs/dbraw/zinc/70/67/45/344706745.db2.gz RUXAPWQTCHDNKI-SFYZADRCSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccc(N)cc1C 233914914 344706805 /nfs/dbraw/zinc/70/68/05/344706805.db2.gz SODYZFCEZUBTBP-BXKDBHETSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1nc(C)cs1 233920162 344707072 /nfs/dbraw/zinc/70/70/72/344707072.db2.gz GWNZBEUJSIAFCW-SFYZADRCSA-N 0 0 182.292 2.662 10 0 AFAERN CC[C@@H]1CCCc2oc(=S)[nH]c21 233922256 344707086 /nfs/dbraw/zinc/70/70/86/344707086.db2.gz ZMYSZUFEPUFUAB-ZCFIWIBFSA-N 0 0 183.276 2.793 10 0 AFAERN CC[C@@H]1OCC[C@@H]1C(=O)C1CCCC1 233925595 344707133 /nfs/dbraw/zinc/70/71/33/344707133.db2.gz RXMIAQZFFIEEEV-QWRGUYRKSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ncc(F)cc1F 233921154 344707206 /nfs/dbraw/zinc/70/72/06/344707206.db2.gz BHQGTHQKNKHPLE-MUWHJKNJSA-N 0 0 198.216 2.570 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(Cl)o1 233931072 344707553 /nfs/dbraw/zinc/70/75/53/344707553.db2.gz BBZVRBWTSSBXIC-MUWHJKNJSA-N 0 0 186.638 2.551 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(Cl)o1 233930986 344707782 /nfs/dbraw/zinc/70/77/82/344707782.db2.gz BBZVRBWTSSBXIC-HZGVNTEJSA-N 0 0 186.638 2.551 10 0 AFAERN CC[C@@H]1CNc2c(F)cc(F)cc21 233932466 344708114 /nfs/dbraw/zinc/70/81/14/344708114.db2.gz ZICRZVDZQGTQEP-ZCFIWIBFSA-N 0 0 183.201 2.884 10 0 AFAERN CC[C@@H]1C[C@@H](CC)n2nc(C)cc2N1 233948519 344708561 /nfs/dbraw/zinc/70/85/61/344708561.db2.gz IVKHTHFLYFRRGC-NXEZZACHSA-N 0 0 193.294 2.737 10 0 AFAERN CC[C@H]1C[C@@H](CC)Nc2cc(C)nn21 233956679 344708791 /nfs/dbraw/zinc/70/87/91/344708791.db2.gz IVKHTHFLYFRRGC-ZJUUUORDSA-N 0 0 193.294 2.737 10 0 AFAERN CC[C@@H](C)C(=O)[C@@H]1CC1(C)C 233973345 344709014 /nfs/dbraw/zinc/70/90/14/344709014.db2.gz BXRIJLMAZSPBJZ-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H](C)C(=O)C1(O)CCC(C)CC1 233968360 344709043 /nfs/dbraw/zinc/70/90/43/344709043.db2.gz XOQYWLWAYMDDRY-SQLBVSGCSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@@H](C)C(=O)C1(O)CCCCCC1 233968398 344709053 /nfs/dbraw/zinc/70/90/53/344709053.db2.gz XJHRNSZMTSUNAB-SNVBAGLBSA-N 0 0 198.306 2.687 10 0 AFAERN CC[C@@H](C)C(=O)[C@H]1CC1(C)C 233974217 344709054 /nfs/dbraw/zinc/70/90/54/344709054.db2.gz BXRIJLMAZSPBJZ-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H](C)c1nc(C)c(C)c(=S)[nH]1 233979789 344709343 /nfs/dbraw/zinc/70/93/43/344709343.db2.gz XLOLCXJQNOKPRD-ZCFIWIBFSA-N 0 0 196.319 2.896 10 0 AFAERN CC[C@H](C)C(=O)C1(O)CCCCCC1 233979471 344709392 /nfs/dbraw/zinc/70/93/92/344709392.db2.gz XJHRNSZMTSUNAB-JTQLQIEISA-N 0 0 198.306 2.687 10 0 AFAERN CC[C@@H](C)C(=O)c1cnc(C)s1 233976650 344709398 /nfs/dbraw/zinc/70/93/98/344709398.db2.gz SFVCYUMTWAPQBY-ZCFIWIBFSA-N 0 0 183.276 2.680 10 0 AFAERN CC[C@@H]1CNc2c(C)cccc2N1 233988401 344709426 /nfs/dbraw/zinc/70/94/26/344709426.db2.gz UNAWEVUDLRWNDO-SECBINFHSA-N 0 0 176.263 2.611 10 0 AFAERN CC[C@H](C)C(=O)C1(O)CCC(C)CC1 233979446 344709482 /nfs/dbraw/zinc/70/94/82/344709482.db2.gz XOQYWLWAYMDDRY-YZRBJQDESA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](C)N(C)c1cccc(C)c1N 233997720 344709813 /nfs/dbraw/zinc/70/98/13/344709813.db2.gz CHHAMTLNBWXDSA-JTQLQIEISA-N 0 0 192.306 2.812 10 0 AFAERN CC[C@H](C)C(=O)c1ncccc1Cl 234001237 344709817 /nfs/dbraw/zinc/70/98/17/344709817.db2.gz TZJVPOAZPNULGM-ZETCQYMHSA-N 0 0 197.665 2.964 10 0 AFAERN CC[C@H](C)C(=O)c1cnc(C)s1 234001105 344709819 /nfs/dbraw/zinc/70/98/19/344709819.db2.gz SFVCYUMTWAPQBY-LURJTMIESA-N 0 0 183.276 2.680 10 0 AFAERN CC[C@H](C)c1nc(C)c(C)c(=S)[nH]1 234002766 344709837 /nfs/dbraw/zinc/70/98/37/344709837.db2.gz XLOLCXJQNOKPRD-LURJTMIESA-N 0 0 196.319 2.896 10 0 AFAERN CC[C@H](C)Nc1cc(C)c(F)cc1N 233993709 344709865 /nfs/dbraw/zinc/70/98/65/344709865.db2.gz NYZJNBOYYOMLJG-QMMMGPOBSA-N 0 0 196.269 2.927 10 0 AFAERN CC[C@H](C)c1nc(C)cc(=S)[nH]1 234003019 344709939 /nfs/dbraw/zinc/70/99/39/344709939.db2.gz SGJRJKQRCKEGJM-LURJTMIESA-N 0 0 182.292 2.587 10 0 AFAERN CC[C@H](C)Nc1cccc(C)c1N 233997142 344709957 /nfs/dbraw/zinc/70/99/57/344709957.db2.gz UEVXSEMRYULXKR-VIFPVBQESA-N 0 0 178.279 2.788 10 0 AFAERN CC[C@H](C)C(=O)[C@@H]1CC1(C)C 233998110 344709962 /nfs/dbraw/zinc/70/99/62/344709962.db2.gz BXRIJLMAZSPBJZ-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(Cl)o1 234049080 344710602 /nfs/dbraw/zinc/71/06/02/344710602.db2.gz BBZVRBWTSSBXIC-RCOVLWMOSA-N 0 0 186.638 2.551 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(Cl)o1 234048902 344710809 /nfs/dbraw/zinc/71/08/09/344710809.db2.gz BBZVRBWTSSBXIC-IMTBSYHQSA-N 0 0 186.638 2.551 10 0 AFAERN CC[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1 234061536 344710992 /nfs/dbraw/zinc/71/09/92/344710992.db2.gz OIBNMTQWYBKFGF-IEBDPFPHSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@H]1C(=O)Nc2c(Cl)cccc21 234058384 344711037 /nfs/dbraw/zinc/71/10/37/344711037.db2.gz JJDRUOUMAGJYII-ZCFIWIBFSA-N 0 0 195.649 2.786 10 0 AFAERN CC[C@H]1C(=O)Nc2c(C)cc(C)cc21 234058338 344711093 /nfs/dbraw/zinc/71/10/93/344711093.db2.gz NCZJQEAVBXWFPR-SECBINFHSA-N 0 0 189.258 2.749 10 0 AFAERN CC[C@H](NN)C1=CCCCCCC1 234050988 344711257 /nfs/dbraw/zinc/71/12/57/344711257.db2.gz YXGSEANISIVZRO-NSHDSACASA-N 0 0 182.311 2.509 10 0 AFAERN CC[C@H]1CCCc2oc(=S)[nH]c21 234052969 344711287 /nfs/dbraw/zinc/71/12/87/344711287.db2.gz ZMYSZUFEPUFUAB-LURJTMIESA-N 0 0 183.276 2.793 10 0 AFAERN CC[C@H](O)c1c(C)cc(F)cc1C 234075212 344711455 /nfs/dbraw/zinc/71/14/55/344711455.db2.gz OYUWYRIDPJXHIA-JTQLQIEISA-N 0 0 182.238 2.886 10 0 AFAERN CC[C@H]1CNc2c(F)cc(F)cc21 234063345 344711643 /nfs/dbraw/zinc/71/16/43/344711643.db2.gz ZICRZVDZQGTQEP-LURJTMIESA-N 0 0 183.201 2.884 10 0 AFAERN CC[C@H](O)c1cc(F)c(F)cc1F 234076557 344711669 /nfs/dbraw/zinc/71/16/69/344711669.db2.gz XZXIWQFKEIIROU-VIFPVBQESA-N 0 0 190.164 2.547 10 0 AFAERN CC[C@H](O)c1ccc(C)c(C)c1OC 234076895 344711729 /nfs/dbraw/zinc/71/17/29/344711729.db2.gz RVFGRXUIPGNKMT-NSHDSACASA-N 0 0 194.274 2.755 10 0 AFAERN CC[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1 234074823 344711770 /nfs/dbraw/zinc/71/17/70/344711770.db2.gz OIBNMTQWYBKFGF-MIMYLULJSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@H]1C[C@@H](CC)n2nc(C)cc2N1 234080688 344712124 /nfs/dbraw/zinc/71/21/24/344712124.db2.gz IVKHTHFLYFRRGC-VHSXEESVSA-N 0 0 193.294 2.737 10 0 AFAERN CC[C@H]1OCC[C@H]1C(=O)C1CCCC1 234113612 344712711 /nfs/dbraw/zinc/71/27/11/344712711.db2.gz RXMIAQZFFIEEEV-GHMZBOCLSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@H]1C[C@H](CC)n2nc(C)cc2N1 234097486 344712765 /nfs/dbraw/zinc/71/27/65/344712765.db2.gz IVKHTHFLYFRRGC-UWVGGRQHSA-N 0 0 193.294 2.737 10 0 AFAERN CC[C@H]1C[C@H]1Nc1cc(N)ccc1C 234129714 344712968 /nfs/dbraw/zinc/71/29/68/344712968.db2.gz NHJZBZBCRJYSDS-JOYOIKCWSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ccc(N)cc1C 234132669 344713007 /nfs/dbraw/zinc/71/30/07/344713007.db2.gz SODYZFCEZUBTBP-JOYOIKCWSA-N 0 0 190.290 2.788 10 0 AFAERN CCc1cccc([C@H](N)C(F)F)c1 234128773 344713089 /nfs/dbraw/zinc/71/30/89/344713089.db2.gz MNXFQABXRKOKCC-VIFPVBQESA-N 0 0 185.217 2.514 10 0 AFAERN CCc1cccc([C@@H](N)C(F)F)c1 234127066 344713094 /nfs/dbraw/zinc/71/30/94/344713094.db2.gz MNXFQABXRKOKCC-SECBINFHSA-N 0 0 185.217 2.514 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ccc(C)cc1N 234131803 344713149 /nfs/dbraw/zinc/71/31/49/344713149.db2.gz PPYXZPLJPMRABA-JOYOIKCWSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ccc(F)cc1N 234131981 344713208 /nfs/dbraw/zinc/71/32/08/344713208.db2.gz JJAIHTJAPBYIMO-WRWORJQWSA-N 0 0 194.253 2.618 10 0 AFAERN CC[C@H]1CNc2c(C)cccc2N1 234125841 344713224 /nfs/dbraw/zinc/71/32/24/344713224.db2.gz UNAWEVUDLRWNDO-VIFPVBQESA-N 0 0 176.263 2.611 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ncccc1C 234138604 344713340 /nfs/dbraw/zinc/71/33/40/344713340.db2.gz VMFTWBUATDLWST-VHSXEESVSA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccc(F)cc1N 234140388 344713402 /nfs/dbraw/zinc/71/34/02/344713402.db2.gz JJAIHTJAPBYIMO-CPCISQLKSA-N 0 0 194.253 2.618 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccc(C)cc1N 234140173 344713548 /nfs/dbraw/zinc/71/35/48/344713548.db2.gz PPYXZPLJPMRABA-CABZTGNLSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@H]1C[C@H]1Nc1nc(C)cs1 234136096 344713577 /nfs/dbraw/zinc/71/35/77/344713577.db2.gz GWNZBEUJSIAFCW-JGVFFNPUSA-N 0 0 182.292 2.662 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cc(N)ccc1C 234137928 344713600 /nfs/dbraw/zinc/71/36/00/344713600.db2.gz NHJZBZBCRJYSDS-CABZTGNLSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ncc(F)cc1F 234137995 344713626 /nfs/dbraw/zinc/71/36/26/344713626.db2.gz BHQGTHQKNKHPLE-IMTBSYHQSA-N 0 0 198.216 2.570 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ncc(F)cc1F 234149231 344713785 /nfs/dbraw/zinc/71/37/85/344713785.db2.gz BHQGTHQKNKHPLE-RCOVLWMOSA-N 0 0 198.216 2.570 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccc(N)cc1C 234141125 344713865 /nfs/dbraw/zinc/71/38/65/344713865.db2.gz SODYZFCEZUBTBP-CABZTGNLSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1nc(C)cs1 234144955 344713955 /nfs/dbraw/zinc/71/39/55/344713955.db2.gz GWNZBEUJSIAFCW-YUMQZZPRSA-N 0 0 182.292 2.662 10 0 AFAERN CCc1c(C)nc(C2CC2)[nH]c1=S 234142752 344713971 /nfs/dbraw/zinc/71/39/71/344713971.db2.gz RQPKMRUSALXOOL-UHFFFAOYSA-N 0 0 194.303 2.514 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cccc(Cl)n1 234142013 344714055 /nfs/dbraw/zinc/71/40/55/344714055.db2.gz RUXAPWQTCHDNKI-YUMQZZPRSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ncccc1C 234150560 344714077 /nfs/dbraw/zinc/71/40/77/344714077.db2.gz VMFTWBUATDLWST-UWVGGRQHSA-N 0 0 176.263 2.600 10 0 AFAERN CCc1nc(C(C)C)c(C)c(=S)[nH]1 234166818 344714209 /nfs/dbraw/zinc/71/42/09/344714209.db2.gz UACZVDVVNUCJHE-UHFFFAOYSA-N 0 0 196.319 2.760 10 0 AFAERN CCc1nc(C(C)(C)C)cc(=S)[nH]1 234166917 344714555 /nfs/dbraw/zinc/71/45/55/344714555.db2.gz CCOQWVBCGNQZRC-UHFFFAOYSA-N 0 0 196.319 2.625 10 0 AFAERN CCc1nc(C2CC2)c(C)c(=S)[nH]1 234199284 344714839 /nfs/dbraw/zinc/71/48/39/344714839.db2.gz YRMPYAAAOREAPV-UHFFFAOYSA-N 0 0 194.303 2.514 10 0 AFAERN CCc1nc(C)c(C(C)C)c(=S)[nH]1 234191875 344714881 /nfs/dbraw/zinc/71/48/81/344714881.db2.gz YLXAQDJVCFEORX-UHFFFAOYSA-N 0 0 196.319 2.760 10 0 AFAERN CCc1nc(C2CC2)[nH]c(=S)c1C 234190816 344714895 /nfs/dbraw/zinc/71/48/95/344714895.db2.gz BSGKNYQFICQYMD-UHFFFAOYSA-N 0 0 194.303 2.514 10 0 AFAERN CCc1nc(C2(C)CCCCC2)n[nH]1 234199918 344714952 /nfs/dbraw/zinc/71/49/52/344714952.db2.gz QZUAVMGJQARNOV-UHFFFAOYSA-N 0 0 193.294 2.589 10 0 AFAERN CCn1c(=S)[nH]c2c(C)cccc21 234195632 344715007 /nfs/dbraw/zinc/71/50/07/344715007.db2.gz RHVHVMSORZBZBU-UHFFFAOYSA-N 0 0 192.287 2.653 10 0 AFAERN CCc1occc1[C@@H](O)C(C)(C)C 234265023 344716362 /nfs/dbraw/zinc/71/63/62/344716362.db2.gz GXKZWYNUTRKYJF-SNVBAGLBSA-N 0 0 182.263 2.922 10 0 AFAERN CCc1occc1[C@@H](O)C1=CCCC1 234265073 344716373 /nfs/dbraw/zinc/71/63/73/344716373.db2.gz DVXLSIZFIRBZLZ-LBPRGKRZSA-N 0 0 192.258 2.986 10 0 AFAERN Cc1cccc(N(C)C2CCC2)c1N 234266010 344716448 /nfs/dbraw/zinc/71/64/48/344716448.db2.gz HKVYZRHHKLKEKP-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN CCc1occc1-c1nc(Cl)no1 234303225 344716713 /nfs/dbraw/zinc/71/67/13/344716713.db2.gz JWRUJVBKHNSGEE-UHFFFAOYSA-N 0 0 198.609 2.545 10 0 AFAERN CCc1occc1[C@H](O)C(C)(C)C 234293583 344716831 /nfs/dbraw/zinc/71/68/31/344716831.db2.gz GXKZWYNUTRKYJF-JTQLQIEISA-N 0 0 182.263 2.922 10 0 AFAERN CCc1occc1-c1nnc(Cl)o1 234304946 344716905 /nfs/dbraw/zinc/71/69/05/344716905.db2.gz RBUMQHBUDYCLKP-UHFFFAOYSA-N 0 0 198.609 2.545 10 0 AFAERN CCc1occc1-c1csc(N)n1 234301958 344717023 /nfs/dbraw/zinc/71/70/23/344717023.db2.gz KAAMNSILPHDPQG-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CCc1occc1[C@H](O)C1=CCCC1 234293623 344717038 /nfs/dbraw/zinc/71/70/38/344717038.db2.gz DVXLSIZFIRBZLZ-GFCCVEGCSA-N 0 0 192.258 2.986 10 0 AFAERN CN[C@H](c1ccc(C)s1)C(F)F 234412103 344720177 /nfs/dbraw/zinc/72/01/77/344720177.db2.gz DGMDJEGJQBKCPF-SSDOTTSWSA-N 0 0 191.246 2.582 10 0 AFAERN CN[C@H](c1csc(C)c1)C(F)F 234413560 344720325 /nfs/dbraw/zinc/72/03/25/344720325.db2.gz AAIXOCYWBFPFGN-SSDOTTSWSA-N 0 0 191.246 2.582 10 0 AFAERN CN[C@@H](c1csc(C)c1)C(F)F 234468055 344721282 /nfs/dbraw/zinc/72/12/82/344721282.db2.gz AAIXOCYWBFPFGN-ZETCQYMHSA-N 0 0 191.246 2.582 10 0 AFAERN CN[C@@H](c1ccc(C)s1)C(F)F 234466881 344721333 /nfs/dbraw/zinc/72/13/33/344721333.db2.gz DGMDJEGJQBKCPF-ZETCQYMHSA-N 0 0 191.246 2.582 10 0 AFAERN CNc1c(Cl)cc(N)cc1Cl 234482678 344721383 /nfs/dbraw/zinc/72/13/83/344721383.db2.gz URJJAQWQKTTWAI-UHFFFAOYSA-N 0 0 191.061 2.617 10 0 AFAERN COC(=N)c1ccc(C)c(Cl)c1 234495958 344721876 /nfs/dbraw/zinc/72/18/76/344721876.db2.gz PRHXVZUUKQPNMZ-UHFFFAOYSA-N 0 0 183.638 2.620 10 0 AFAERN CNc1nc2c(s1)C(C)(C)C[C@H]2C 234507612 344722137 /nfs/dbraw/zinc/72/21/37/344722137.db2.gz WGLFHYWSDSPNMP-ZCFIWIBFSA-N 0 0 196.319 2.970 10 0 AFAERN CNc1nc2c(s1)C(C)(C)C[C@@H]2C 234507527 344722176 /nfs/dbraw/zinc/72/21/76/344722176.db2.gz WGLFHYWSDSPNMP-LURJTMIESA-N 0 0 196.319 2.970 10 0 AFAERN CNc1cccc(-c2ccoc2)c1 234538184 344722859 /nfs/dbraw/zinc/72/28/59/344722859.db2.gz QNSWKFZVDOXRGD-UHFFFAOYSA-N 0 0 173.215 2.988 10 0 AFAERN COCc1csc([C@@H]2CC2(C)C)n1 234721290 344725636 /nfs/dbraw/zinc/72/56/36/344725636.db2.gz FDKODKIPBYGNIK-QMMMGPOBSA-N 0 0 197.303 2.803 10 0 AFAERN COc1cc(C)ccc1NC1CC1 234942150 344730848 /nfs/dbraw/zinc/73/08/48/344730848.db2.gz UUUGXFCLKAQHCG-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN COc1ccc(Cl)c(NC2CC2)c1 234947634 344730948 /nfs/dbraw/zinc/73/09/48/344730948.db2.gz ZYEGVPJIPAFHSF-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN COc1ccc2c(=S)[nH]ccc2c1 234978050 344731337 /nfs/dbraw/zinc/73/13/37/344731337.db2.gz XEWQWIPSQWGSQM-UHFFFAOYSA-N 0 0 191.255 2.532 10 0 AFAERN COc1ccc2cc[nH]c(=S)c2c1 235009581 344731347 /nfs/dbraw/zinc/73/13/47/344731347.db2.gz YTERMPPFUWAUPP-UHFFFAOYSA-N 0 0 191.255 2.532 10 0 AFAERN COc1ccc(NC2CC2)c(C)c1 234970105 344731514 /nfs/dbraw/zinc/73/15/14/344731514.db2.gz NSRVFRGVUIIZBF-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CSc1ccccc1NC1CC1 235066332 344732315 /nfs/dbraw/zinc/73/23/15/344732315.db2.gz GUVSOGIYVPAWHL-UHFFFAOYSA-N 0 0 179.288 2.983 10 0 AFAERN CSc1cccc(NC2CC2)c1 235086113 344732455 /nfs/dbraw/zinc/73/24/55/344732455.db2.gz KOXFPLGKPGELPJ-UHFFFAOYSA-N 0 0 179.288 2.983 10 0 AFAERN CSc1cc(Cl)c(F)cc1N 235082681 344732528 /nfs/dbraw/zinc/73/25/28/344732528.db2.gz IEQIJHQZZYUWLG-UHFFFAOYSA-N 0 0 191.658 2.783 10 0 AFAERN CS[C@H]1CCc2ccccc2NC1 235152776 344734226 /nfs/dbraw/zinc/73/42/26/344734226.db2.gz RFPVJNDUKGRBLV-JTQLQIEISA-N 0 0 193.315 2.776 10 0 AFAERN CC(=O)[C@H](C)c1cccc(F)c1F 235153623 344734356 /nfs/dbraw/zinc/73/43/56/344734356.db2.gz MBXSIKBFVVTANX-LURJTMIESA-N 0 0 184.185 2.657 10 0 AFAERN CS[C@@H]1CCc2ccccc2NC1 235185755 344735186 /nfs/dbraw/zinc/73/51/86/344735186.db2.gz RFPVJNDUKGRBLV-SNVBAGLBSA-N 0 0 193.315 2.776 10 0 AFAERN C[C@@H](O)c1c[nH]c2c(Cl)cccc12 235236414 344736946 /nfs/dbraw/zinc/73/69/46/344736946.db2.gz CPTGFENFBZNKHB-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN C[C@@H](O)c1cnc([C@H]2CC2(C)C)s1 235239666 344737151 /nfs/dbraw/zinc/73/71/51/344737151.db2.gz BGRJQORQXJXJES-RNFRBKRXSA-N 0 0 197.303 2.710 10 0 AFAERN C[C@@H](O)c1cnc([C@@H]2CC2(C)C)s1 235239275 344737164 /nfs/dbraw/zinc/73/71/64/344737164.db2.gz BGRJQORQXJXJES-RQJHMYQMSA-N 0 0 197.303 2.710 10 0 AFAERN CSc1c(F)cccc1[C@H](C)O 235246937 344737538 /nfs/dbraw/zinc/73/75/38/344737538.db2.gz MWVZNTLEJLRWTJ-LURJTMIESA-N 0 0 186.251 2.601 10 0 AFAERN CSc1c(F)cccc1C(C)=O 235246441 344737544 /nfs/dbraw/zinc/73/75/44/344737544.db2.gz NOQCUILNWPIYBW-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN C/C(=C\c1cc(C)ccc1F)[C@@H](C)O 235250692 344737666 /nfs/dbraw/zinc/73/76/66/344737666.db2.gz XJUQWVCFAQKQIB-TTZKWOQHSA-N 0 0 194.249 2.918 10 0 AFAERN Cc1cccc(N[C@H](C)C2CC2)c1N 235258088 344737875 /nfs/dbraw/zinc/73/78/75/344737875.db2.gz QNRCFFSCWMTPJR-SECBINFHSA-N 0 0 190.290 2.788 10 0 AFAERN C[C@@H](O)C1(Cc2ccc(F)cc2)CC1 235253616 344737877 /nfs/dbraw/zinc/73/78/77/344737877.db2.gz OCZMOCHPSIYYIY-SECBINFHSA-N 0 0 194.249 2.529 10 0 AFAERN Cc1cccc(CC2([C@@H](C)O)CC2)c1 235254354 344738014 /nfs/dbraw/zinc/73/80/14/344738014.db2.gz XVZYVOQJTOPZQN-LLVKDONJSA-N 0 0 190.286 2.699 10 0 AFAERN C[C@@H](O)C1(Cc2cccc(F)c2)CC1 235254539 344738050 /nfs/dbraw/zinc/73/80/50/344738050.db2.gz XYGWOEYTDGPATK-SECBINFHSA-N 0 0 194.249 2.529 10 0 AFAERN Cc1cccc(N2CCC[C@H]2C)c1N 235259379 344738349 /nfs/dbraw/zinc/73/83/49/344738349.db2.gz ORFDPJYOSZRRGF-SNVBAGLBSA-N 0 0 190.290 2.566 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]1(N)C(F)(F)F 235266077 344739118 /nfs/dbraw/zinc/73/91/18/344739118.db2.gz IXCZPRGDSGKYKM-SVRRBLITSA-N 0 0 195.228 2.702 10 0 AFAERN Cc1nc([C@H]2C[C@H]2C)[nH]c(=S)c1C 235273380 344739443 /nfs/dbraw/zinc/73/94/43/344739443.db2.gz SEGYOJHHBBUKKT-XRGYYRRGSA-N 0 0 194.303 2.506 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]1(O)C1CC1 235272657 344739469 /nfs/dbraw/zinc/73/94/69/344739469.db2.gz LCMFVNOFILITSH-KCJUWKMLSA-N 0 0 168.280 2.584 10 0 AFAERN CC(=O)[C@H]1CC(C)(C)C[C@H]1C 235279007 344739871 /nfs/dbraw/zinc/73/98/71/344739871.db2.gz PABNGSGJTFGXOW-APPZFPTMSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]1(O)c1ccoc1 235283521 344740311 /nfs/dbraw/zinc/74/03/11/344740311.db2.gz KCNFKWLEGJSESE-SKDRFNHKSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@@H]1C[C@]12CNc1c(F)cccc12 235281136 344740378 /nfs/dbraw/zinc/74/03/78/344740378.db2.gz LGNABHYVQVLXCS-HQJQHLMTSA-N 0 0 177.222 2.529 10 0 AFAERN Cc1ccc2c(c1)[C@]1(CN2)C[C@H]1C 235281409 344740390 /nfs/dbraw/zinc/74/03/90/344740390.db2.gz DSQMQYPALUVTNF-SKDRFNHKSA-N 0 0 173.259 2.698 10 0 AFAERN C[C@@H]1C[C@]12CNc1ccc(F)cc12 235281494 344740411 /nfs/dbraw/zinc/74/04/11/344740411.db2.gz MHNPIJKHVNUBBE-HQJQHLMTSA-N 0 0 177.222 2.529 10 0 AFAERN Cc1cccc2c1NC[C@]21C[C@H]1C 235280978 344740453 /nfs/dbraw/zinc/74/04/53/344740453.db2.gz HZYBARQGYLKSNU-SKDRFNHKSA-N 0 0 173.259 2.698 10 0 AFAERN Cc1cccc(NC[C@H]2C[C@H]2C)c1N 235284758 344740538 /nfs/dbraw/zinc/74/05/38/344740538.db2.gz BEBPUOLYCIYDMF-NXEZZACHSA-N 0 0 190.290 2.645 10 0 AFAERN C[C@@H]1CC[C@@H](C)c2oc(=S)[nH]c21 235289998 344740796 /nfs/dbraw/zinc/74/07/96/344740796.db2.gz PSAZFRKKSXFNKN-PHDIDXHHSA-N 0 0 183.276 2.964 10 0 AFAERN CC(=O)[C@@H]1CC(C)(C)C[C@H]1C 235291281 344741340 /nfs/dbraw/zinc/74/13/40/344741340.db2.gz PABNGSGJTFGXOW-VXNVDRBHSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1nc([C@@H]2C[C@H]2C)[nH]c(=S)c1C 235296323 344741739 /nfs/dbraw/zinc/74/17/39/344741739.db2.gz SEGYOJHHBBUKKT-SVGQVSJJSA-N 0 0 194.303 2.506 10 0 AFAERN C[C@@H]1C[C@@]12CNc1c(F)cccc12 235297227 344741782 /nfs/dbraw/zinc/74/17/82/344741782.db2.gz LGNABHYVQVLXCS-RDDDGLTNSA-N 0 0 177.222 2.529 10 0 AFAERN C[C@@H]1C[C@@]12CNc1ccc(F)cc12 235297509 344741819 /nfs/dbraw/zinc/74/18/19/344741819.db2.gz MHNPIJKHVNUBBE-RDDDGLTNSA-N 0 0 177.222 2.529 10 0 AFAERN Cc1cccc2c1NC[C@@]21C[C@H]1C 235297090 344741873 /nfs/dbraw/zinc/74/18/73/344741873.db2.gz HZYBARQGYLKSNU-BXKDBHETSA-N 0 0 173.259 2.698 10 0 AFAERN Cc1cccc(NC[C@@H]2C[C@H]2C)c1N 235311497 344742659 /nfs/dbraw/zinc/74/26/59/344742659.db2.gz BEBPUOLYCIYDMF-ZJUUUORDSA-N 0 0 190.290 2.645 10 0 AFAERN C[C@@H]1CC[C@@H](c2nccc(=S)[nH]2)C1 235320235 344743179 /nfs/dbraw/zinc/74/31/79/344743179.db2.gz FVOZHDTXXAJBHR-HTQZYQBOSA-N 0 0 194.303 2.669 10 0 AFAERN C[C@@H]1CC[C@H](c2nccc(=S)[nH]2)C1 235323600 344743202 /nfs/dbraw/zinc/74/32/02/344743202.db2.gz FVOZHDTXXAJBHR-SFYZADRCSA-N 0 0 194.303 2.669 10 0 AFAERN Cc1cc(F)c2c(c1F)C[C@H](C)CN2 235328272 344743825 /nfs/dbraw/zinc/74/38/25/344743825.db2.gz IJXSVNSHSFOPOQ-LURJTMIESA-N 0 0 197.228 2.877 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@]1(N)C(F)(F)F 235337369 344744220 /nfs/dbraw/zinc/74/42/20/344744220.db2.gz IXCZPRGDSGKYKM-HTRCEHHLSA-N 0 0 195.228 2.702 10 0 AFAERN Cc1cccc2c1NCC[C@@H](C)N2 235332854 344743985 /nfs/dbraw/zinc/74/39/85/344743985.db2.gz SSSHODUQERDIJQ-SECBINFHSA-N 0 0 176.263 2.611 10 0 AFAERN C[C@@H]1CC[C@](O)(CCC2CC2)C1 235335607 344744269 /nfs/dbraw/zinc/74/42/69/344744269.db2.gz GUWZSIQOMFNYPQ-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1CC[C@@](O)(CCC2CC2)C1 235334723 344744416 /nfs/dbraw/zinc/74/44/16/344744416.db2.gz GUWZSIQOMFNYPQ-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@]1(O)C1CC1 235341962 344744432 /nfs/dbraw/zinc/74/44/32/344744432.db2.gz LCMFVNOFILITSH-LDYMZIIASA-N 0 0 168.280 2.584 10 0 AFAERN C[C@@H]1SCC[C@@]1(O)C1=CCCCC1 235347144 344745177 /nfs/dbraw/zinc/74/51/77/344745177.db2.gz CXJHNXMDGZUURD-ONGXEEELSA-N 0 0 198.331 2.743 10 0 AFAERN C[C@@H]1CCc2oc(=S)[nH]c2[C@@H]1C 235355943 344745485 /nfs/dbraw/zinc/74/54/85/344745485.db2.gz XEFOEQBKYUVIMU-PHDIDXHHSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@@H]1CC(C)(C)c2cc(Cl)nnc21 235356158 344745662 /nfs/dbraw/zinc/74/56/62/344745662.db2.gz YTGGPTOOHHNNFL-ZCFIWIBFSA-N 0 0 196.681 2.915 10 0 AFAERN C[C@@H]1CC(C)(C)c2sc(N)nc21 235357030 344745759 /nfs/dbraw/zinc/74/57/59/344745759.db2.gz SIQNZWDIDSKPHY-RXMQYKEDSA-N 0 0 182.292 2.510 10 0 AFAERN C[C@@H]1c2[nH]c(=S)oc2CC[C@H]1C 235355976 344745788 /nfs/dbraw/zinc/74/57/88/344745788.db2.gz XEFOEQBKYUVIMU-RITPCOANSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2oc(=S)[nH]c21 235361715 344746107 /nfs/dbraw/zinc/74/61/07/344746107.db2.gz SOAFIGREKBTEBO-RITPCOANSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2[nH]c(=S)oc21 235361766 344746191 /nfs/dbraw/zinc/74/61/91/344746191.db2.gz ITAVVFAEIMYEIQ-RITPCOANSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@H]1Cc2oc(=S)[nH]c2[C@H](C)C1 235376875 344746741 /nfs/dbraw/zinc/74/67/41/344746741.db2.gz SOAFIGREKBTEBO-PHDIDXHHSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@H]1Cc2[nH]c(=S)oc2[C@H](C)C1 235376919 344746751 /nfs/dbraw/zinc/74/67/51/344746751.db2.gz ITAVVFAEIMYEIQ-PHDIDXHHSA-N 0 0 183.276 2.649 10 0 AFAERN Cc1cc(C)c2c(c1C)[C@@H](O)[C@H](C)C2 235391490 344747369 /nfs/dbraw/zinc/74/73/69/344747369.db2.gz PAQWZYFMXHNWCT-RNCFNFMXSA-N 0 0 190.286 2.837 10 0 AFAERN Cc1cc(C)c2c(c1C)[C@H](O)[C@H](C)C2 235391324 344747452 /nfs/dbraw/zinc/74/74/52/344747452.db2.gz PAQWZYFMXHNWCT-NOZJJQNGSA-N 0 0 190.286 2.837 10 0 AFAERN Cc1ccc(F)c2c1C[C@@H](C)C2=O 235392178 344747478 /nfs/dbraw/zinc/74/74/78/344747478.db2.gz ZLPKCYXNYQXFTD-SSDOTTSWSA-N 0 0 178.206 2.509 10 0 AFAERN Cc1ccc(F)c2c1C(=O)[C@H](C)C2 235395352 344747961 /nfs/dbraw/zinc/74/79/61/344747961.db2.gz GTTBGSCQRZTGQL-SSDOTTSWSA-N 0 0 178.206 2.509 10 0 AFAERN C[C@@H]1SCC[C@]1(O)C1=CCCCC1 235400028 344748376 /nfs/dbraw/zinc/74/83/76/344748376.db2.gz CXJHNXMDGZUURD-GXSJLCMTSA-N 0 0 198.331 2.743 10 0 AFAERN C[C@](O)(C1=CCCCC1)C1CC1 235414924 344748847 /nfs/dbraw/zinc/74/88/47/344748847.db2.gz VNNDRDMMMMQUJN-NSHDSACASA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)[C@@H](C)c1cccc(F)c1F 235425510 344749426 /nfs/dbraw/zinc/74/94/26/344749426.db2.gz MBXSIKBFVVTANX-ZCFIWIBFSA-N 0 0 184.185 2.657 10 0 AFAERN C[C@H](O)C1(Cc2ccc(F)cc2)CC1 235529857 344752531 /nfs/dbraw/zinc/75/25/31/344752531.db2.gz OCZMOCHPSIYYIY-VIFPVBQESA-N 0 0 194.249 2.529 10 0 AFAERN Cc1cccc(CC2([C@H](C)O)CC2)c1 235530043 344752533 /nfs/dbraw/zinc/75/25/33/344752533.db2.gz XVZYVOQJTOPZQN-NSHDSACASA-N 0 0 190.286 2.699 10 0 AFAERN C[C@H](O)CS[C@H]1CCC[C@H](C)C1 235532656 344752544 /nfs/dbraw/zinc/75/25/44/344752544.db2.gz VPQWPRDNAUWUNS-GUBZILKMSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@H](O)CS[C@@H]1CCC[C@H](C)C1 235532585 344752618 /nfs/dbraw/zinc/75/26/18/344752618.db2.gz VPQWPRDNAUWUNS-LPEHRKFASA-N 0 0 188.336 2.679 10 0 AFAERN C[C@H](O)C1(Cc2cccc(F)c2)CC1 235530087 344752681 /nfs/dbraw/zinc/75/26/81/344752681.db2.gz XYGWOEYTDGPATK-VIFPVBQESA-N 0 0 194.249 2.529 10 0 AFAERN C/C(=C\c1cc(C)ccc1F)[C@H](C)O 235539905 344753327 /nfs/dbraw/zinc/75/33/27/344753327.db2.gz XJUQWVCFAQKQIB-PCYYEKQGSA-N 0 0 194.249 2.918 10 0 AFAERN C[C@H](O)c1c[nH]c2c(Cl)cccc12 235543113 344753445 /nfs/dbraw/zinc/75/34/45/344753445.db2.gz CPTGFENFBZNKHB-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN Cc1cccc(N[C@@H](C)C2CC2)c1N 235540380 344753476 /nfs/dbraw/zinc/75/34/76/344753476.db2.gz QNRCFFSCWMTPJR-VIFPVBQESA-N 0 0 190.290 2.788 10 0 AFAERN C[C@H](O)c1cnc([C@H]2CC2(C)C)s1 235547484 344753884 /nfs/dbraw/zinc/75/38/84/344753884.db2.gz BGRJQORQXJXJES-NKWVEPMBSA-N 0 0 197.303 2.710 10 0 AFAERN C[C@H](O)c1cnc([C@@H]2CC2(C)C)s1 235547184 344754034 /nfs/dbraw/zinc/75/40/34/344754034.db2.gz BGRJQORQXJXJES-BQBZGAKWSA-N 0 0 197.303 2.710 10 0 AFAERN Cc1ccc(C[C@H](C)O)c(Cl)c1 235554993 344754657 /nfs/dbraw/zinc/75/46/57/344754657.db2.gz HNJHEWLEVZXGLO-QMMMGPOBSA-N 0 0 184.666 2.572 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@]1(O)C1CC1 235562355 344755255 /nfs/dbraw/zinc/75/52/55/344755255.db2.gz LCMFVNOFILITSH-KWQFWETISA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1CC(=O)c2ccc(F)c(F)c21 235562321 344755263 /nfs/dbraw/zinc/75/52/63/344755263.db2.gz FOIBIJQIBFYJHN-YFKPBYRVSA-N 0 0 182.169 2.655 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@]1(O)c1ccoc1 235566963 344755807 /nfs/dbraw/zinc/75/58/07/344755807.db2.gz KCNFKWLEGJSESE-CABZTGNLSA-N 0 0 194.274 2.923 10 0 AFAERN CC(=O)[C@@H]1CC(C)(C)C[C@@H]1C 235570486 344756386 /nfs/dbraw/zinc/75/63/86/344756386.db2.gz PABNGSGJTFGXOW-IONNQARKSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc2c(c1)[C@@]1(CN2)C[C@@H]1C 235580957 344756928 /nfs/dbraw/zinc/75/69/28/344756928.db2.gz DSQMQYPALUVTNF-JOYOIKCWSA-N 0 0 173.259 2.698 10 0 AFAERN Cc1cccc(N2CCC[C@@H]2C)c1N 235580186 344756942 /nfs/dbraw/zinc/75/69/42/344756942.db2.gz ORFDPJYOSZRRGF-JTQLQIEISA-N 0 0 190.290 2.566 10 0 AFAERN C[C@H]1C[C@@]12CNc1ccc(F)cc12 235580992 344756944 /nfs/dbraw/zinc/75/69/44/344756944.db2.gz MHNPIJKHVNUBBE-WRWORJQWSA-N 0 0 177.222 2.529 10 0 AFAERN Cc1cccc2c1NC[C@@]21C[C@@H]1C 235580796 344756968 /nfs/dbraw/zinc/75/69/68/344756968.db2.gz HZYBARQGYLKSNU-JOYOIKCWSA-N 0 0 173.259 2.698 10 0 AFAERN C[C@H]1C[C@@]12CNc1c(F)cccc12 235580860 344756989 /nfs/dbraw/zinc/75/69/89/344756989.db2.gz LGNABHYVQVLXCS-WRWORJQWSA-N 0 0 177.222 2.529 10 0 AFAERN CC(=O)[C@H]1CC(C)(C)C[C@@H]1C 235582454 344757462 /nfs/dbraw/zinc/75/74/62/344757462.db2.gz PABNGSGJTFGXOW-CBAPKCEASA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1CC[C@@H](C)c2oc(=S)[nH]c21 235592893 344757774 /nfs/dbraw/zinc/75/77/74/344757774.db2.gz PSAZFRKKSXFNKN-NTSWFWBYSA-N 0 0 183.276 2.964 10 0 AFAERN C[C@H]1C[C@]12CNc1ccc(F)cc12 235591521 344757894 /nfs/dbraw/zinc/75/78/94/344757894.db2.gz MHNPIJKHVNUBBE-CPCISQLKSA-N 0 0 177.222 2.529 10 0 AFAERN Cc1ccc2c(c1)[C@]1(CN2)C[C@@H]1C 235591480 344757973 /nfs/dbraw/zinc/75/79/73/344757973.db2.gz DSQMQYPALUVTNF-CABZTGNLSA-N 0 0 173.259 2.698 10 0 AFAERN C[C@H]1C[C@]12CNc1c(F)cccc12 235591347 344758046 /nfs/dbraw/zinc/75/80/46/344758046.db2.gz LGNABHYVQVLXCS-CPCISQLKSA-N 0 0 177.222 2.529 10 0 AFAERN Cc1cccc2c1NC[C@]21C[C@@H]1C 235591263 344758143 /nfs/dbraw/zinc/75/81/43/344758143.db2.gz HZYBARQGYLKSNU-CABZTGNLSA-N 0 0 173.259 2.698 10 0 AFAERN Cc1nc([C@H]2C[C@@H]2C)[nH]c(=S)c1C 235596017 344758556 /nfs/dbraw/zinc/75/85/56/344758556.db2.gz SEGYOJHHBBUKKT-XNCJUZBTSA-N 0 0 194.303 2.506 10 0 AFAERN C[C@H]1CC[C@H](C)c2oc(=S)[nH]c21 235603219 344758824 /nfs/dbraw/zinc/75/88/24/344758824.db2.gz PSAZFRKKSXFNKN-WDSKDSINSA-N 0 0 183.276 2.964 10 0 AFAERN Cc1nc([C@@H]2C[C@@H]2C)[nH]c(=S)c1C 235608222 344759241 /nfs/dbraw/zinc/75/92/41/344759241.db2.gz SEGYOJHHBBUKKT-YLWLKBPMSA-N 0 0 194.303 2.506 10 0 AFAERN C[C@H]1CC(C)(C)C[C@]1(O)C1CC1 235609232 344759311 /nfs/dbraw/zinc/75/93/11/344759311.db2.gz LCMFVNOFILITSH-GZMMTYOYSA-N 0 0 168.280 2.584 10 0 AFAERN Cc1cccc(NC[C@H]2C[C@@H]2C)c1N 235607253 344759328 /nfs/dbraw/zinc/75/93/28/344759328.db2.gz BEBPUOLYCIYDMF-VHSXEESVSA-N 0 0 190.290 2.645 10 0 AFAERN C[C@H]1CC(C)(C)C[C@]1(O)c1ccoc1 235619224 344759661 /nfs/dbraw/zinc/75/96/61/344759661.db2.gz KCNFKWLEGJSESE-JOYOIKCWSA-N 0 0 194.274 2.923 10 0 AFAERN Cc1cccc2c1NCC[C@H](C)N2 235616274 344759815 /nfs/dbraw/zinc/75/98/15/344759815.db2.gz SSSHODUQERDIJQ-VIFPVBQESA-N 0 0 176.263 2.611 10 0 AFAERN Cc1cccc(NC[C@@H]2C[C@@H]2C)c1N 235621016 344760014 /nfs/dbraw/zinc/76/00/14/344760014.db2.gz BEBPUOLYCIYDMF-UWVGGRQHSA-N 0 0 190.290 2.645 10 0 AFAERN C[C@H]1CC[C@@H](c2nccc(=S)[nH]2)C1 235622527 344760212 /nfs/dbraw/zinc/76/02/12/344760212.db2.gz FVOZHDTXXAJBHR-JGVFFNPUSA-N 0 0 194.303 2.669 10 0 AFAERN C[C@H]1CC[C@@](O)(CCC2CC2)C1 235635145 344760478 /nfs/dbraw/zinc/76/04/78/344760478.db2.gz GUWZSIQOMFNYPQ-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H]1CC(C)(C)c2cc(Cl)nnc21 235628737 344760538 /nfs/dbraw/zinc/76/05/38/344760538.db2.gz YTGGPTOOHHNNFL-LURJTMIESA-N 0 0 196.681 2.915 10 0 AFAERN C[C@H]1SCC[C@@]1(O)C1=CCCCC1 235632482 344760622 /nfs/dbraw/zinc/76/06/22/344760622.db2.gz CXJHNXMDGZUURD-KOLCDFICSA-N 0 0 198.331 2.743 10 0 AFAERN C[C@H]1CC(C)(C)c2sc(N)nc21 235629316 344760640 /nfs/dbraw/zinc/76/06/40/344760640.db2.gz SIQNZWDIDSKPHY-YFKPBYRVSA-N 0 0 182.292 2.510 10 0 AFAERN C[C@H]1CCc2oc(=S)[nH]c2[C@@H]1C 235640764 344761007 /nfs/dbraw/zinc/76/10/07/344761007.db2.gz XEFOEQBKYUVIMU-NTSWFWBYSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@H]1CCc2oc(=S)[nH]c2[C@H]1C 235640803 344761094 /nfs/dbraw/zinc/76/10/94/344761094.db2.gz XEFOEQBKYUVIMU-WDSKDSINSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@H]1CC[C@H](c2nccc(=S)[nH]2)C1 235647134 344761681 /nfs/dbraw/zinc/76/16/81/344761681.db2.gz FVOZHDTXXAJBHR-YUMQZZPRSA-N 0 0 194.303 2.669 10 0 AFAERN C[C@H]1CC[C@](O)(CCC2CC2)C1 235661622 344762334 /nfs/dbraw/zinc/76/23/34/344762334.db2.gz GUWZSIQOMFNYPQ-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H]1SCC[C@]1(O)C1=CCCCC1 235674427 344762693 /nfs/dbraw/zinc/76/26/93/344762693.db2.gz CXJHNXMDGZUURD-MWLCHTKSSA-N 0 0 198.331 2.743 10 0 AFAERN Cc1cc(C)c2c(c1C)[C@@H](O)[C@@H](C)C2 235691577 344763227 /nfs/dbraw/zinc/76/32/27/344763227.db2.gz PAQWZYFMXHNWCT-ZANVPECISA-N 0 0 190.286 2.837 10 0 AFAERN Cc1cc(C)c2c(c1C)[C@H](O)[C@@H](C)C2 235691479 344763229 /nfs/dbraw/zinc/76/32/29/344763229.db2.gz PAQWZYFMXHNWCT-TVQRCGJNSA-N 0 0 190.286 2.837 10 0 AFAERN Cc1ccc(F)c2c1C[C@H](C)C2=O 235691987 344763264 /nfs/dbraw/zinc/76/32/64/344763264.db2.gz ZLPKCYXNYQXFTD-ZETCQYMHSA-N 0 0 178.206 2.509 10 0 AFAERN Cc1ccc(F)c2c1C(=O)[C@@H](C)C2 235693745 344763537 /nfs/dbraw/zinc/76/35/37/344763537.db2.gz GTTBGSCQRZTGQL-ZETCQYMHSA-N 0 0 178.206 2.509 10 0 AFAERN C[C@@H]1Cc2oc(=S)[nH]c2[C@H](C)C1 235695794 344763721 /nfs/dbraw/zinc/76/37/21/344763721.db2.gz SOAFIGREKBTEBO-NTSWFWBYSA-N 0 0 183.276 2.649 10 0 AFAERN Cc1cc(F)c2c(c1F)C[C@@H](C)CN2 235700011 344763750 /nfs/dbraw/zinc/76/37/50/344763750.db2.gz IJXSVNSHSFOPOQ-ZCFIWIBFSA-N 0 0 197.228 2.877 10 0 AFAERN C[C@@H]1Cc2[nH]c(=S)oc2[C@H](C)C1 235695836 344763774 /nfs/dbraw/zinc/76/37/74/344763774.db2.gz ITAVVFAEIMYEIQ-NTSWFWBYSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@@H]1Cc2[nH]c(=S)oc2[C@@H](C)C1 235722188 344764324 /nfs/dbraw/zinc/76/43/24/344764324.db2.gz ITAVVFAEIMYEIQ-WDSKDSINSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@@H]1Cc2oc(=S)[nH]c2[C@@H](C)C1 235722152 344764428 /nfs/dbraw/zinc/76/44/28/344764428.db2.gz SOAFIGREKBTEBO-WDSKDSINSA-N 0 0 183.276 2.649 10 0 AFAERN C[C@@](O)(C1=CCCCC1)C1CC1 235712379 344764495 /nfs/dbraw/zinc/76/44/95/344764495.db2.gz VNNDRDMMMMQUJN-LLVKDONJSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cc(C(=O)C(C)(C)C)ccn1 235737753 344764834 /nfs/dbraw/zinc/76/48/34/344764834.db2.gz SJLXEMRCLJHWSN-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1cc(C(=O)C(F)F)c(C)s1 235738722 344765003 /nfs/dbraw/zinc/76/50/03/344765003.db2.gz IEXDIVIGPICWIW-UHFFFAOYSA-N 0 0 190.214 2.813 10 0 AFAERN Cc1cc(C)c(C(=O)C(F)F)s1 235743711 344765313 /nfs/dbraw/zinc/76/53/13/344765313.db2.gz QTHGVJFXIYQYIC-UHFFFAOYSA-N 0 0 190.214 2.813 10 0 AFAERN Cc1c(F)cccc1NC1CC1 235744218 344765347 /nfs/dbraw/zinc/76/53/47/344765347.db2.gz PPWXHQJCHUATMT-UHFFFAOYSA-N 0 0 165.211 2.708 10 0 AFAERN Cc1cc(N)ccc1NCC1(C)CC1 235755047 344765569 /nfs/dbraw/zinc/76/55/69/344765569.db2.gz LATUPNNEYCJDMG-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN Cc1cccc2c1NCCCS2 235765526 344765918 /nfs/dbraw/zinc/76/59/18/344765918.db2.gz LKKGYHYHVRVSHU-UHFFFAOYSA-N 0 0 179.288 2.903 10 0 AFAERN Cc1cccc2c1NCC(C)(C)N2 235764805 344765946 /nfs/dbraw/zinc/76/59/46/344765946.db2.gz MVMHETHIZAKORD-UHFFFAOYSA-N 0 0 176.263 2.611 10 0 AFAERN Cc1cccc(F)c1NC1CC1 235764388 344766016 /nfs/dbraw/zinc/76/60/16/344766016.db2.gz PFTLFQBUECSZMB-UHFFFAOYSA-N 0 0 165.211 2.708 10 0 AFAERN Cc1c[nH]c(=S)n1C[C@H]1CC1(C)C 235786085 344766247 /nfs/dbraw/zinc/76/62/47/344766247.db2.gz QPIMQXGYWYWQTR-MRVPVSSYSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1cccc(NC(C)(C)C)c1N 235779956 344766333 /nfs/dbraw/zinc/76/63/33/344766333.db2.gz GQEJSXOUGYXVSY-UHFFFAOYSA-N 0 0 178.279 2.788 10 0 AFAERN Cc1c[nH]c(=S)n1C(C)(C)C1CC1 235784998 344766378 /nfs/dbraw/zinc/76/63/78/344766378.db2.gz NJMYYERPXRZCBP-UHFFFAOYSA-N 0 0 196.319 2.625 10 0 AFAERN Cc1c[nH]c(=S)n1C[C@@H]1CC1(C)C 235785977 344766408 /nfs/dbraw/zinc/76/64/08/344766408.db2.gz QPIMQXGYWYWQTR-QMMMGPOBSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1c[nH]c(=S)n1CC1(C)CCC1 235785345 344766502 /nfs/dbraw/zinc/76/65/02/344766502.db2.gz BVIYCCLTGHHEJP-UHFFFAOYSA-N 0 0 196.319 2.670 10 0 AFAERN Cc1cccnc1NC[C@@H]1CC1(C)C 235790584 344766637 /nfs/dbraw/zinc/76/66/37/344766637.db2.gz PLWRUBCBPKINKN-JTQLQIEISA-N 0 0 190.290 2.848 10 0 AFAERN Cc1cc(N)cnc1-c1ccsc1 235787804 344766676 /nfs/dbraw/zinc/76/66/76/344766676.db2.gz QQOMFCBSOZSMDY-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(C)n1[C@]1(C)CCCOC1 235790649 344766714 /nfs/dbraw/zinc/76/67/14/344766714.db2.gz FBBJCQXVEFIJMY-GFCCVEGCSA-N 0 0 193.290 2.631 10 0 AFAERN Cc1cc(=S)[nH]c(CC(C)(C)C)n1 235791638 344766753 /nfs/dbraw/zinc/76/67/53/344766753.db2.gz AYRLUEFWCYIYGA-UHFFFAOYSA-N 0 0 196.319 2.662 10 0 AFAERN Cc1cccc(OC/C=C/Cl)c1N 235799198 344766938 /nfs/dbraw/zinc/76/69/38/344766938.db2.gz SGTVDTBQIVVMAV-ZZXKWVIFSA-N 0 0 197.665 2.709 10 0 AFAERN Cc1nc(Cl)ccc1NC1CC1 235804426 344766973 /nfs/dbraw/zinc/76/69/73/344766973.db2.gz DNQKBJSVLYONFP-UHFFFAOYSA-N 0 0 182.654 2.618 10 0 AFAERN Cc1cc(F)cc(C)c1[C@H](O)C1CC1 235797101 344767064 /nfs/dbraw/zinc/76/70/64/344767064.db2.gz MFWLWOFWCKANCM-GFCCVEGCSA-N 0 0 194.249 2.886 10 0 AFAERN Cc1ccccc1C1=NC(=S)OC1 235804386 344767105 /nfs/dbraw/zinc/76/71/05/344767105.db2.gz SQTUTOJTQYSNAH-UHFFFAOYSA-N 0 0 191.255 2.939 10 0 AFAERN Cc1cccc(C)c1C(=O)c1cc[nH]c1 235806663 344767421 /nfs/dbraw/zinc/76/74/21/344767421.db2.gz XNWBSFHJFZROBY-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN Cc1ncc(C(=O)C(C)(C)C)s1 235814391 344767747 /nfs/dbraw/zinc/76/77/47/344767747.db2.gz WKMXFYKWGWTOOA-UHFFFAOYSA-N 0 0 183.276 2.680 10 0 AFAERN Cc1ccnc(Cl)c1NC1CC1 235818017 344767830 /nfs/dbraw/zinc/76/78/30/344767830.db2.gz BYHOJBBNLRXMEQ-UHFFFAOYSA-N 0 0 182.654 2.618 10 0 AFAERN Cc1nc(C(C)(C)C)[nH]c(=S)c1C 235824833 344768047 /nfs/dbraw/zinc/76/80/47/344768047.db2.gz CGDJAVFDNFINHO-UHFFFAOYSA-N 0 0 196.319 2.680 10 0 AFAERN Cc1cc(F)cc(NC2CC2)c1 235826036 344768099 /nfs/dbraw/zinc/76/80/99/344768099.db2.gz HTMOBCSSFSTFNT-UHFFFAOYSA-N 0 0 165.211 2.708 10 0 AFAERN Cc1cc(=S)[nH]c(C2CCCC2)n1 235829032 344768155 /nfs/dbraw/zinc/76/81/55/344768155.db2.gz RHSMGYYGZLNOPL-UHFFFAOYSA-N 0 0 194.303 2.731 10 0 AFAERN Cc1cc(C)c2c(=S)[nH]cnc2c1 235834129 344768480 /nfs/dbraw/zinc/76/84/80/344768480.db2.gz XVYGZFKGSIQIAN-UHFFFAOYSA-N 0 0 190.271 2.535 10 0 AFAERN Cc1cc(C(=O)C2CCCC2)ccn1 235837866 344768488 /nfs/dbraw/zinc/76/84/88/344768488.db2.gz FTARWBYVPMJCJG-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN Cc1nc(C)c([C@H](O)C(C)(C)C)s1 235833125 344768492 /nfs/dbraw/zinc/76/84/92/344768492.db2.gz BMBOULMQJBHUOJ-VIFPVBQESA-N 0 0 199.319 2.839 10 0 AFAERN Cc1nc(C)c([C@@H](O)C(C)(C)C)s1 235831711 344768536 /nfs/dbraw/zinc/76/85/36/344768536.db2.gz BMBOULMQJBHUOJ-SECBINFHSA-N 0 0 199.319 2.839 10 0 AFAERN Cc1ncc([C@H](O)C(C)(C)C)s1 235839578 344768752 /nfs/dbraw/zinc/76/87/52/344768752.db2.gz GCOSDGHSGUGJPZ-QMMMGPOBSA-N 0 0 185.292 2.531 10 0 AFAERN Cc1oc(=S)[nH]c1-c1ccco1 235850833 344768797 /nfs/dbraw/zinc/76/87/97/344768797.db2.gz DCXIHLZKNJSTAV-UHFFFAOYSA-N 0 0 181.216 2.532 10 0 AFAERN Cc1occc1S[C@@H]1CCCC1=O 235840957 344768828 /nfs/dbraw/zinc/76/88/28/344768828.db2.gz JXISUNKBSQQWAX-SNVBAGLBSA-N 0 0 196.271 2.802 10 0 AFAERN Cc1ccc(C(=O)[C@H]2CC2(C)C)o1 235843415 344768858 /nfs/dbraw/zinc/76/88/58/344768858.db2.gz NQCNCGBOWWLDLV-MRVPVSSYSA-N 0 0 178.231 2.817 10 0 AFAERN Cc1cc(NC2CC2)cnc1Cl 235851354 344769205 /nfs/dbraw/zinc/76/92/05/344769205.db2.gz YPTLTMAPDZSLSA-UHFFFAOYSA-N 0 0 182.654 2.618 10 0 AFAERN Cc1cc(Cl)nc([C@H]2CC2(C)C)n1 235859407 344769191 /nfs/dbraw/zinc/76/91/91/344769191.db2.gz CPHDHSGJXXTRNO-SSDOTTSWSA-N 0 0 196.681 2.952 10 0 AFAERN Cc1cc(-c2cc(=O)cc[nH]2)cs1 235856166 344769214 /nfs/dbraw/zinc/76/92/14/344769214.db2.gz PFBVPPRBNBDBIC-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ccc(CC[C@@H]2CO2)c(Cl)c1 235856729 344769262 /nfs/dbraw/zinc/76/92/62/344769262.db2.gz WEULBGLZLJLFNE-SNVBAGLBSA-N 0 0 196.677 2.980 10 0 AFAERN Cc1cc(NCC2CC2)cnc1Cl 235869623 344769264 /nfs/dbraw/zinc/76/92/64/344769264.db2.gz IRESFHLUHLJUNJ-UHFFFAOYSA-N 0 0 196.681 2.865 10 0 AFAERN Cc1cc(NC2CCC2)c(C)cc1O 235853408 344769287 /nfs/dbraw/zinc/76/92/87/344769287.db2.gz NSBMWAHKTFVDBY-UHFFFAOYSA-N 0 0 191.274 2.973 10 0 AFAERN Cc1ccc(CC[C@H]2CO2)c(Cl)c1 235859635 344769296 /nfs/dbraw/zinc/76/92/96/344769296.db2.gz WEULBGLZLJLFNE-JTQLQIEISA-N 0 0 196.677 2.980 10 0 AFAERN Cc1ccc(F)c(NC2CC2)c1F 235865136 344769299 /nfs/dbraw/zinc/76/92/99/344769299.db2.gz PNDYAWAXCBHCCN-UHFFFAOYSA-N 0 0 183.201 2.848 10 0 AFAERN Cc1cc(Cl)nc([C@@H]2CC2(C)C)n1 235859361 344769302 /nfs/dbraw/zinc/76/93/02/344769302.db2.gz CPHDHSGJXXTRNO-ZETCQYMHSA-N 0 0 196.681 2.952 10 0 AFAERN Cc1cccc2c1NC[C@H](C1CC1)N2 235914496 344769493 /nfs/dbraw/zinc/76/94/93/344769493.db2.gz CNAHDSWGEDPQBK-LLVKDONJSA-N 0 0 188.274 2.611 10 0 AFAERN Cc1cccc(N[C@@H]2CC2(C)C)c1N 235922499 344769501 /nfs/dbraw/zinc/76/95/01/344769501.db2.gz YGKMFFDFIHFNQB-SNVBAGLBSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1cccc2c1NC[C@H]2C1CC1 235917094 344769533 /nfs/dbraw/zinc/76/95/33/344769533.db2.gz FDVXVOQNHWHWCZ-NSHDSACASA-N 0 0 173.259 2.914 10 0 AFAERN Cc1ccnc(-c2ccsc2)c1N 235927183 344769538 /nfs/dbraw/zinc/76/95/38/344769538.db2.gz DBDLMVDHFYPZHG-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccnc(-c2cccs2)c1N 235927106 344769593 /nfs/dbraw/zinc/76/95/93/344769593.db2.gz QDJWXFBRINKNAD-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(-c2coc(=S)[nH]2)o1 235903356 344769602 /nfs/dbraw/zinc/76/96/02/344769602.db2.gz XNSXUQUUBVCCAB-UHFFFAOYSA-N 0 0 181.216 2.532 10 0 AFAERN Cc1cnc(-c2cccs2)c(N)c1 235926126 344769631 /nfs/dbraw/zinc/76/96/31/344769631.db2.gz MZTMCTZRHZUDAJ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cccc2c1NC[C@@H](C1CC1)N2 235915060 344769635 /nfs/dbraw/zinc/76/96/35/344769635.db2.gz CNAHDSWGEDPQBK-NSHDSACASA-N 0 0 188.274 2.611 10 0 AFAERN Cc1ccc(O)c(-c2ccc[nH]2)c1 235899387 344769683 /nfs/dbraw/zinc/76/96/83/344769683.db2.gz XKHIOOSSTHNMOJ-UHFFFAOYSA-N 0 0 173.215 2.696 10 0 AFAERN Cc1cccc(NC2(C)CC2)c1N 235929910 344769899 /nfs/dbraw/zinc/76/98/99/344769899.db2.gz NBKMXIJAZRYMJM-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN Cc1ccnc(NC(C)(C)C2CC2)c1 235929363 344769935 /nfs/dbraw/zinc/76/99/35/344769935.db2.gz LLNISXWDPKFWMW-UHFFFAOYSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1cn(C[C@H]2CC2(C)C)c(=S)[nH]1 235953058 344770343 /nfs/dbraw/zinc/77/03/43/344770343.db2.gz NNNIDUSGFYHCIS-MRVPVSSYSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1nc(C)c([C@@H](O)CC2CC2)s1 235941954 344770369 /nfs/dbraw/zinc/77/03/69/344770369.db2.gz GDFQJHAAXUGRQC-VIFPVBQESA-N 0 0 197.303 2.593 10 0 AFAERN Cc1ncc([C@@H](O)CC2CCC2)s1 235952397 344770380 /nfs/dbraw/zinc/77/03/80/344770380.db2.gz GXWVMOHNJUIILY-VIFPVBQESA-N 0 0 197.303 2.675 10 0 AFAERN Cc1nc2c(C)cccc2c(=S)[nH]1 235954217 344770430 /nfs/dbraw/zinc/77/04/30/344770430.db2.gz JSSUCUDYZKMNBA-UHFFFAOYSA-N 0 0 190.271 2.535 10 0 AFAERN Cc1cnc(Cl)c(NC2CC2)c1 235948770 344770469 /nfs/dbraw/zinc/77/04/69/344770469.db2.gz HLNVNFIFTBUOLV-UHFFFAOYSA-N 0 0 182.654 2.618 10 0 AFAERN Cc1csc(NC[C@H]2CC2(C)C)n1 235952955 344770472 /nfs/dbraw/zinc/77/04/72/344770472.db2.gz DTTNKQXKNCIZPF-MRVPVSSYSA-N 0 0 196.319 2.910 10 0 AFAERN Cc1nc2cccc(C)c2c(=S)[nH]1 235953713 344770473 /nfs/dbraw/zinc/77/04/73/344770473.db2.gz XCAUBFJBWPISAA-UHFFFAOYSA-N 0 0 190.271 2.535 10 0 AFAERN Cc1csc(NCC2(C)CC2)n1 235952264 344770519 /nfs/dbraw/zinc/77/05/19/344770519.db2.gz XJECMDPJANKVHL-UHFFFAOYSA-N 0 0 182.292 2.664 10 0 AFAERN Cc1nc(C)c([C@H](O)C2CCC2)s1 235949091 344770521 /nfs/dbraw/zinc/77/05/21/344770521.db2.gz BTUAVUVSXMVBJO-SECBINFHSA-N 0 0 197.303 2.593 10 0 AFAERN Cc1csc(NC[C@@H]2CC2(C)C)n1 235952738 344770525 /nfs/dbraw/zinc/77/05/25/344770525.db2.gz DTTNKQXKNCIZPF-QMMMGPOBSA-N 0 0 196.319 2.910 10 0 AFAERN Cc1cn(C[C@@H]2CC2(C)C)c(=S)[nH]1 235952449 344770529 /nfs/dbraw/zinc/77/05/29/344770529.db2.gz NNNIDUSGFYHCIS-QMMMGPOBSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1cn(CC2(C)CCC2)c(=S)[nH]1 235943331 344770534 /nfs/dbraw/zinc/77/05/34/344770534.db2.gz ODXVVQFQWCDVCW-UHFFFAOYSA-N 0 0 196.319 2.670 10 0 AFAERN Cc1ncc([C@H](O)CC2CCC2)s1 235959684 344770761 /nfs/dbraw/zinc/77/07/61/344770761.db2.gz GXWVMOHNJUIILY-SECBINFHSA-N 0 0 197.303 2.675 10 0 AFAERN Cc1csc([C@H]2CC2(C)C)n1 235957319 344770780 /nfs/dbraw/zinc/77/07/80/344770780.db2.gz PMPXQLQVRZQOLX-SSDOTTSWSA-N 0 0 167.277 2.965 10 0 AFAERN Cc1nc(C2CCC2)[nH]c(=S)c1C 235961445 344770884 /nfs/dbraw/zinc/77/08/84/344770884.db2.gz UEGDRUAWQFLAHY-UHFFFAOYSA-N 0 0 194.303 2.650 10 0 AFAERN Cc1nc(-c2ccsc2)ccc1N 235959360 344770886 /nfs/dbraw/zinc/77/08/86/344770886.db2.gz QOWBVXMJQCPEGK-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1sc([C@@H]2CC2(C)C)nc1N 235973504 344771029 /nfs/dbraw/zinc/77/10/29/344771029.db2.gz ZZSLSXFWMXWMAP-LURJTMIESA-N 0 0 182.292 2.547 10 0 AFAERN Cc1csc(C2(O)CC2)c1Cl 235969880 344771202 /nfs/dbraw/zinc/77/12/02/344771202.db2.gz SZIXYIOPEIZYMM-UHFFFAOYSA-N 0 0 188.679 2.691 10 0 AFAERN O=C(c1ccoc1Cl)C1CCC1 236035561 344771343 /nfs/dbraw/zinc/77/13/43/344771343.db2.gz NEXWMCPUWIABMI-UHFFFAOYSA-N 0 0 184.622 2.916 10 0 AFAERN Cl/C=C/CNc1ccsc1 236016304 344771379 /nfs/dbraw/zinc/77/13/79/344771379.db2.gz TUPFWDUZZLRTAB-HNQUOIGGSA-N 0 0 173.668 2.913 10 0 AFAERN O=C(c1ccoc1Cl)C1CC1 236035546 344771407 /nfs/dbraw/zinc/77/14/07/344771407.db2.gz SSNSBDCYXOVCCN-UHFFFAOYSA-N 0 0 170.595 2.526 10 0 AFAERN Cc1ccc2c(c1)[C@H](C1CC1)CN2 235992954 344771527 /nfs/dbraw/zinc/77/15/27/344771527.db2.gz WPVYXIAYBFUVJS-NSHDSACASA-N 0 0 173.259 2.914 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C1CC1)CN2 235993526 344771536 /nfs/dbraw/zinc/77/15/36/344771536.db2.gz WPVYXIAYBFUVJS-LLVKDONJSA-N 0 0 173.259 2.914 10 0 AFAERN C=Cc1ccc(Cl)c(C=O)c1 236044766 344771695 /nfs/dbraw/zinc/77/16/95/344771695.db2.gz YYJTXESIPCGWMT-UHFFFAOYSA-N 0 0 166.607 2.796 10 0 AFAERN O=C(c1ccoc1)c1ccc(Cl)o1 236047154 344771701 /nfs/dbraw/zinc/77/17/01/344771701.db2.gz LHTUKQDQCHBZMO-UHFFFAOYSA-N 0 0 196.589 2.757 10 0 AFAERN O=C(c1ncccc1Cl)C1CCC1 236036347 344771730 /nfs/dbraw/zinc/77/17/30/344771730.db2.gz WRRNNTJFJUUFOC-UHFFFAOYSA-N 0 0 195.649 2.718 10 0 AFAERN O=C(c1ccco1)c1ccc(Cl)o1 236047047 344771745 /nfs/dbraw/zinc/77/17/45/344771745.db2.gz VVWUHWLXLLIMOK-UHFFFAOYSA-N 0 0 196.589 2.757 10 0 AFAERN O=C(c1ccoc1)c1ccoc1Cl 236044563 344771759 /nfs/dbraw/zinc/77/17/59/344771759.db2.gz FTCZKUZDDBDAIY-UHFFFAOYSA-N 0 0 196.589 2.757 10 0 AFAERN O=C1CC(c2csc(Cl)c2)C1 236045563 344771850 /nfs/dbraw/zinc/77/18/50/344771850.db2.gz XDBURCVGJDPGCF-UHFFFAOYSA-N 0 0 186.663 2.848 10 0 AFAERN O=C(c1ccco1)c1ccoc1Cl 236044530 344771853 /nfs/dbraw/zinc/77/18/53/344771853.db2.gz BCDBJNOPBPLZER-UHFFFAOYSA-N 0 0 196.589 2.757 10 0 AFAERN O=C(c1ccc(Cl)o1)C1CC1 236055737 344772135 /nfs/dbraw/zinc/77/21/35/344772135.db2.gz UOEKAGVEAXMFDP-UHFFFAOYSA-N 0 0 170.595 2.526 10 0 AFAERN O=C(c1ccc(Cl)o1)C1CCC1 236055777 344772156 /nfs/dbraw/zinc/77/21/56/344772156.db2.gz IRHQPNPSBMHCEQ-UHFFFAOYSA-N 0 0 184.622 2.916 10 0 AFAERN FC(F)Oc1ccc(NC2CC2)cc1 236126704 344774700 /nfs/dbraw/zinc/77/47/00/344774700.db2.gz YKQSVNDTJJXDMN-UHFFFAOYSA-N 0 0 199.200 2.862 10 0 AFAERN FCCNc1ccc2ncsc2c1 236123914 344774763 /nfs/dbraw/zinc/77/47/63/344774763.db2.gz KYUVLMJPYKYEGP-UHFFFAOYSA-N 0 0 196.250 2.678 10 0 AFAERN FC(F)Oc1cccc(NC2CC2)c1 236133703 344775067 /nfs/dbraw/zinc/77/50/67/344775067.db2.gz JFNBTJJJZKHLAK-UHFFFAOYSA-N 0 0 199.200 2.862 10 0 AFAERN O=C(c1sccc1Cl)C(F)F 236146933 344775358 /nfs/dbraw/zinc/77/53/58/344775358.db2.gz NDIAIGVQHWUAFW-UHFFFAOYSA-N 0 0 196.605 2.849 10 0 AFAERN Fc1cc(F)c(NC2CC2)c(F)c1 236153147 344775897 /nfs/dbraw/zinc/77/58/97/344775897.db2.gz NHBYVKHRWFBMRU-UHFFFAOYSA-N 0 0 187.164 2.678 10 0 AFAERN Fc1cc(F)c(NC2CC2)cc1F 236153277 344775995 /nfs/dbraw/zinc/77/59/95/344775995.db2.gz JOLRIGAJISXWRI-UHFFFAOYSA-N 0 0 187.164 2.678 10 0 AFAERN C=COc1c(F)c(F)cc(F)c1F 236158411 344776001 /nfs/dbraw/zinc/77/60/01/344776001.db2.gz CDSYVQDSZYMNMV-UHFFFAOYSA-N 0 0 192.111 2.765 10 0 AFAERN Fc1cccc2c1NC[C@@H]2C1CC1 236152970 344776019 /nfs/dbraw/zinc/77/60/19/344776019.db2.gz SIPVKBCYHNVPBS-SECBINFHSA-N 0 0 177.222 2.745 10 0 AFAERN O=Cc1cc(F)ccc1-c1ccc[nH]1 236166133 344776220 /nfs/dbraw/zinc/77/62/20/344776220.db2.gz LRCROACTRYCBLI-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN Fc1ccc(C2=NC(=S)OC2)cc1 236176806 344776754 /nfs/dbraw/zinc/77/67/54/344776754.db2.gz MRZMYFMHKXTYIJ-UHFFFAOYSA-N 0 0 195.218 2.769 10 0 AFAERN Fc1ccccc1C1=NC(=S)OC1 236188344 344777085 /nfs/dbraw/zinc/77/70/85/344777085.db2.gz VQHYLTGDNMTSCR-UHFFFAOYSA-N 0 0 195.218 2.769 10 0 AFAERN Fc1ccc2c(c1)[C@H](C1CC1)CN2 236249543 344778175 /nfs/dbraw/zinc/77/81/75/344778175.db2.gz PPGYPQWJXPHXSX-JTQLQIEISA-N 0 0 177.222 2.745 10 0 AFAERN Fc1cc(F)c(F)c(NC2CC2)c1 236266668 344778711 /nfs/dbraw/zinc/77/87/11/344778711.db2.gz POHIMSGMFLTOIO-UHFFFAOYSA-N 0 0 187.164 2.678 10 0 AFAERN NN[C@@H](C1=CCCCCC1)C1CCC1 236264475 344778727 /nfs/dbraw/zinc/77/87/27/344778727.db2.gz USKKLWQKHFMGJB-LBPRGKRZSA-N 0 0 194.322 2.509 10 0 AFAERN NN[C@H](C1=CCCCCC1)C1CCC1 236269762 344778743 /nfs/dbraw/zinc/77/87/43/344778743.db2.gz USKKLWQKHFMGJB-GFCCVEGCSA-N 0 0 194.322 2.509 10 0 AFAERN Fc1ccc2c(c1)[C@@H](C1CC1)CN2 236251092 344778764 /nfs/dbraw/zinc/77/87/64/344778764.db2.gz PPGYPQWJXPHXSX-SNVBAGLBSA-N 0 0 177.222 2.745 10 0 AFAERN NN[C@@H](C1=CCCCC1)C1CCCC1 236267151 344778815 /nfs/dbraw/zinc/77/88/15/344778815.db2.gz YISNIZSOPWNZSB-LBPRGKRZSA-N 0 0 194.322 2.509 10 0 AFAERN Fc1cccc(-c2ccno2)c1F 236252429 344778829 /nfs/dbraw/zinc/77/88/29/344778829.db2.gz BPZOJSXMVCHZRQ-UHFFFAOYSA-N 0 0 181.141 2.620 10 0 AFAERN Fc1cccc(C2=NC(=S)OC2)c1 236253846 344778905 /nfs/dbraw/zinc/77/89/05/344778905.db2.gz QHJWKYNALUNVKU-UHFFFAOYSA-N 0 0 195.218 2.769 10 0 AFAERN NN[C@H](C1=CCCCC1)C1CCCC1 236271578 344779256 /nfs/dbraw/zinc/77/92/56/344779256.db2.gz YISNIZSOPWNZSB-GFCCVEGCSA-N 0 0 194.322 2.509 10 0 AFAERN N[C@@H](c1ccoc1)c1ccc(Cl)o1 236287919 344779939 /nfs/dbraw/zinc/77/99/39/344779939.db2.gz ZEKUAYCTTGYDJN-VIFPVBQESA-N 0 0 197.621 2.574 10 0 AFAERN N[C@H](C1=CCCCCCC1)C(F)F 236299608 344780161 /nfs/dbraw/zinc/78/01/61/344780161.db2.gz KWOMXFSNLBLZLD-SECBINFHSA-N 0 0 189.249 2.859 10 0 AFAERN N[C@@H](C1=CCCCCCC1)C(F)F 236310254 344780836 /nfs/dbraw/zinc/78/08/36/344780836.db2.gz KWOMXFSNLBLZLD-VIFPVBQESA-N 0 0 189.249 2.859 10 0 AFAERN N[C@@H](c1ccco1)c1ccoc1Cl 236317076 344781276 /nfs/dbraw/zinc/78/12/76/344781276.db2.gz DRKVKWWAKYZLOX-MRVPVSSYSA-N 0 0 197.621 2.574 10 0 AFAERN Nc1c(Cl)ccc(F)c1Cl 236323063 344781363 /nfs/dbraw/zinc/78/13/63/344781363.db2.gz LCYKGRZNHXMJNZ-UHFFFAOYSA-N 0 0 180.009 2.715 10 0 AFAERN N[C@@H](c1ccco1)c1ccc(Cl)o1 236316986 344781439 /nfs/dbraw/zinc/78/14/39/344781439.db2.gz BINPENZONZRHLX-VIFPVBQESA-N 0 0 197.621 2.574 10 0 AFAERN N[C@H](c1ccco1)c1ccc(Cl)o1 236329474 344781715 /nfs/dbraw/zinc/78/17/15/344781715.db2.gz BINPENZONZRHLX-SECBINFHSA-N 0 0 197.621 2.574 10 0 AFAERN N[C@H](c1ccco1)c1ccoc1Cl 236329557 344781900 /nfs/dbraw/zinc/78/19/00/344781900.db2.gz DRKVKWWAKYZLOX-QMMMGPOBSA-N 0 0 197.621 2.574 10 0 AFAERN Nc1nccc2c(Cl)cc(F)cc12 236366445 344783022 /nfs/dbraw/zinc/78/30/22/344783022.db2.gz FLXZECAISJHGEM-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN O=Cc1occc1-c1cccs1 236410602 344784750 /nfs/dbraw/zinc/78/47/50/344784750.db2.gz KSZQXFOKSIMCPQ-UHFFFAOYSA-N 0 0 178.212 2.821 10 0 AFAERN O=Cc1occc1-c1ccsc1 236410626 344784809 /nfs/dbraw/zinc/78/48/09/344784809.db2.gz RNIWQLMPTSGDJY-UHFFFAOYSA-N 0 0 178.212 2.821 10 0 AFAERN O=Cc1cccc(NC2CCCC2)c1 236417715 344785766 /nfs/dbraw/zinc/78/57/66/344785766.db2.gz QWIYFCJWIKBQSV-UHFFFAOYSA-N 0 0 189.258 2.854 10 0 AFAERN O[C@@H](CC1CC1)c1ccoc1Cl 236513483 344787518 /nfs/dbraw/zinc/78/75/18/344787518.db2.gz YKMGNZCWLQJXPM-QMMMGPOBSA-N 0 0 186.638 2.767 10 0 AFAERN O[C@@H](C1=CCCCC1)c1nccs1 236516048 344787533 /nfs/dbraw/zinc/78/75/33/344787533.db2.gz CQENCAXLKWXEMU-VIFPVBQESA-N 0 0 195.287 2.677 10 0 AFAERN O[C@@H](CC1CC1)c1ncccc1Cl 236513519 344787613 /nfs/dbraw/zinc/78/76/13/344787613.db2.gz MCAGBQGSYUUSPB-VIFPVBQESA-N 0 0 197.665 2.569 10 0 AFAERN O[C@H](c1ncccc1Cl)C1CCC1 236526627 344787962 /nfs/dbraw/zinc/78/79/62/344787962.db2.gz MIUCUBLXMKEFDE-JTQLQIEISA-N 0 0 197.665 2.569 10 0 AFAERN O[C@@H](c1ncccc1Cl)C1CCC1 236530852 344787966 /nfs/dbraw/zinc/78/79/66/344787966.db2.gz MIUCUBLXMKEFDE-SNVBAGLBSA-N 0 0 197.665 2.569 10 0 AFAERN S=c1[nH]c(C2CCCC2)co1 236565918 344789243 /nfs/dbraw/zinc/78/92/43/344789243.db2.gz FQZBMAQTJQAAPP-UHFFFAOYSA-N 0 0 169.249 2.621 10 0 AFAERN O[C@H](CC1CC1)c1ncccc1Cl 236557382 344789271 /nfs/dbraw/zinc/78/92/71/344789271.db2.gz MCAGBQGSYUUSPB-SECBINFHSA-N 0 0 197.665 2.569 10 0 AFAERN O[C@H](C1=CCCCC1)c1nccs1 236560086 344789291 /nfs/dbraw/zinc/78/92/91/344789291.db2.gz CQENCAXLKWXEMU-SECBINFHSA-N 0 0 195.287 2.677 10 0 AFAERN O[C@H](CC1CC1)c1ccoc1Cl 236557292 344789389 /nfs/dbraw/zinc/78/93/89/344789389.db2.gz YKMGNZCWLQJXPM-MRVPVSSYSA-N 0 0 186.638 2.767 10 0 AFAERN Oc1ccc(F)cc1-c1ccc[nH]1 236564986 344789468 /nfs/dbraw/zinc/78/94/68/344789468.db2.gz JAWKISBJMOGIPF-UHFFFAOYSA-N 0 0 177.178 2.526 10 0 AFAERN Oc1c[nH]c(C2CCCCCC2)n1 236574448 344789775 /nfs/dbraw/zinc/78/97/75/344789775.db2.gz PTQLTSAIHLQACV-UHFFFAOYSA-N 0 0 180.251 2.553 10 0 AFAERN S=C1N=C2c3ccccc3CC2O1 236574971 344789909 /nfs/dbraw/zinc/78/99/09/344789909.db2.gz CYSFHEBAAILDQQ-UHFFFAOYSA-N 0 0 189.239 2.535 10 0 AFAERN S=C1N=C(c2ccsc2)CO1 236577232 344789941 /nfs/dbraw/zinc/78/99/41/344789941.db2.gz RAIUYESUROUDLF-UHFFFAOYSA-N 0 0 183.257 2.692 10 0 AFAERN Oc1ccc2cnc(Cl)cc2c1F 236610487 344790257 /nfs/dbraw/zinc/79/02/57/344790257.db2.gz ATEBQCDJFZGZIW-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN Oc1ccc(-c2ccc[nH]2)cc1F 236602259 344790273 /nfs/dbraw/zinc/79/02/73/344790273.db2.gz XUKUBZRSHUGZPY-UHFFFAOYSA-N 0 0 177.178 2.526 10 0 AFAERN S=c1cc[nH]c(-c2cccnc2)c1 236603085 344790281 /nfs/dbraw/zinc/79/02/81/344790281.db2.gz YQNXHYKQKRUIDW-UHFFFAOYSA-N 0 0 188.255 2.806 10 0 AFAERN S=c1cc[nH]c(-c2ccc[nH]2)c1 236603001 344790351 /nfs/dbraw/zinc/79/03/51/344790351.db2.gz OKQJLTPDARRLDC-UHFFFAOYSA-N 0 0 176.244 2.739 10 0 AFAERN Oc1cc(F)cc(-c2ccc[nH]2)c1 236604023 344790423 /nfs/dbraw/zinc/79/04/23/344790423.db2.gz FMWRQSYKAFISMQ-UHFFFAOYSA-N 0 0 177.178 2.526 10 0 AFAERN O=c1cc2c(Cl)cc(F)cc2c[nH]1 236623203 344790429 /nfs/dbraw/zinc/79/04/29/344790429.db2.gz FMSZWWCUMPXGFK-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN S=c1cc[nH]c(C2CC2)c1 236602867 344790445 /nfs/dbraw/zinc/79/04/45/344790445.db2.gz TWRKVLWVBVTSCT-UHFFFAOYSA-N 0 0 151.234 2.622 10 0 AFAERN S=c1cc[nH]c(-c2ccncc2)c1 236603220 344790493 /nfs/dbraw/zinc/79/04/93/344790493.db2.gz FANZURARPPXILN-UHFFFAOYSA-N 0 0 188.255 2.806 10 0 AFAERN S=c1cc(C2CC2)nc(C2CC2)[nH]1 236617687 344790581 /nfs/dbraw/zinc/79/05/81/344790581.db2.gz RXEJJZBUIYQFKS-UHFFFAOYSA-N 0 0 192.287 2.520 10 0 AFAERN S=c1[nH]cnc2c(Cl)cccc12 236642477 344790943 /nfs/dbraw/zinc/79/09/43/344790943.db2.gz YDSLTHSDDRXGNW-UHFFFAOYSA-N 0 0 196.662 2.572 10 0 AFAERN S=c1cccc(-c2ccoc2)[nH]1 236707433 344790956 /nfs/dbraw/zinc/79/09/56/344790956.db2.gz IYLIYTSRFVYQJO-UHFFFAOYSA-N 0 0 177.228 2.630 10 0 AFAERN S=c1cccc(-c2ccco2)[nH]1 236707295 344791031 /nfs/dbraw/zinc/79/10/31/344791031.db2.gz SJKHELOBHSHCOH-UHFFFAOYSA-N 0 0 177.228 2.630 10 0 AFAERN S=c1[nH]cnc2cccc(Cl)c12 236642614 344791100 /nfs/dbraw/zinc/79/11/00/344791100.db2.gz DPQDMEJIEOQDRU-UHFFFAOYSA-N 0 0 196.662 2.572 10 0 AFAERN C/C=C/CC1(CO)CCCCC1 238008784 344791632 /nfs/dbraw/zinc/79/16/32/344791632.db2.gz MGKWZPQKSDSQGG-NSCUHMNNSA-N 0 0 168.280 2.895 10 0 AFAERN C/C=C/[C@H](CCO)c1ccccc1 238052264 344792154 /nfs/dbraw/zinc/79/21/54/344792154.db2.gz JUCBUJKDLRPCLP-SZHMKSFOSA-N 0 0 176.259 2.729 10 0 AFAERN C/C(=C\CO)CCCC(F)(F)F 238038911 344792159 /nfs/dbraw/zinc/79/21/59/344792159.db2.gz HAUIPFXJZOXUNB-QPJJXVBHSA-N 0 0 182.185 2.658 10 0 AFAERN CC(=O)c1ccc(-c2ccccc2)[nH]1 238069058 344792475 /nfs/dbraw/zinc/79/24/75/344792475.db2.gz JCFJLLRBSNFHNX-UHFFFAOYSA-N 0 0 185.226 2.884 10 0 AFAERN CC(=O)Nc1c(Cl)ccc(C)c1C 238068689 344792487 /nfs/dbraw/zinc/79/24/87/344792487.db2.gz CXTMANVWOBKCBQ-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN CC(=O)c1ccc(C2CC2)cc1F 238066002 344792558 /nfs/dbraw/zinc/79/25/58/344792558.db2.gz OHNZLHGFLNFUHB-UHFFFAOYSA-N 0 0 178.206 2.906 10 0 AFAERN CC(C)(C)[C@H]1Nc2ccccc2O1 238104350 344792998 /nfs/dbraw/zinc/79/29/98/344792998.db2.gz BMOAFPIEGDQESE-JTQLQIEISA-N 0 0 177.247 2.863 10 0 AFAERN c1cc2cc(OC3CC3)ccc2[nH]1 238094281 344793273 /nfs/dbraw/zinc/79/32/73/344793273.db2.gz UPZSHRDLAWTSNH-UHFFFAOYSA-N 0 0 173.215 2.709 10 0 AFAERN CC(C)(C)/C=C/[C@@H](O)[Si](C)(C)C 238113515 344793559 /nfs/dbraw/zinc/79/35/59/344793559.db2.gz POULGDZQMHENMV-FLOXNTQESA-N 0 0 186.371 2.827 10 0 AFAERN CC1(C)CC(NC(=O)OC(C)(C)C)C1 238122883 344793725 /nfs/dbraw/zinc/79/37/25/344793725.db2.gz NKOYDVKYUJKPCS-UHFFFAOYSA-N 0 0 199.294 2.700 10 0 AFAERN CC(C)=C=C(CO)c1ccccc1 238131409 344793625 /nfs/dbraw/zinc/79/36/25/344793625.db2.gz KLNPEMAVWYZQDH-UHFFFAOYSA-N 0 0 174.243 2.627 10 0 AFAERN CC(C)CCc1sccc1N 238131082 344793633 /nfs/dbraw/zinc/79/36/33/344793633.db2.gz KUBIIWVTGOBHIJ-UHFFFAOYSA-N 0 0 169.293 2.919 10 0 AFAERN CC(C)(C)/C=C/[C@H](O)[Si](C)(C)C 238113671 344793715 /nfs/dbraw/zinc/79/37/15/344793715.db2.gz POULGDZQMHENMV-FCZSHJHJSA-N 0 0 186.371 2.827 10 0 AFAERN CC(C)(C)[C@@H]([NH3+])c1cccnc1Cl 238143071 344794063 /nfs/dbraw/zinc/79/40/63/344794063.db2.gz MRYAZAJHRUNBBK-QMMMGPOBSA-N 0 0 198.697 2.781 10 0 AFAERN C=C=CCCCNC(=O)OC(C)(C)C 238137760 344794247 /nfs/dbraw/zinc/79/42/47/344794247.db2.gz WOSJOVSNRGNCRW-UHFFFAOYSA-N 0 0 197.278 2.632 10 0 AFAERN Cc1ccc(O)cc1NC(C)C 238163673 344794489 /nfs/dbraw/zinc/79/44/89/344794489.db2.gz YTYUUMKHHHTULR-UHFFFAOYSA-N 0 0 165.236 2.521 10 0 AFAERN CC(C)(C)[C@@H]1Nc2ccccc2O1 238162858 344794492 /nfs/dbraw/zinc/79/44/92/344794492.db2.gz BMOAFPIEGDQESE-SNVBAGLBSA-N 0 0 177.247 2.863 10 0 AFAERN CC(=C=CCO)C1CCCCC1 238164428 344794620 /nfs/dbraw/zinc/79/46/20/344794620.db2.gz RZPYHLINVMNJQX-UHFFFAOYSA-N 0 0 166.264 2.660 10 0 AFAERN CC(C)Oc1cnccc1Cl 238163821 344794638 /nfs/dbraw/zinc/79/46/38/344794638.db2.gz OYAJASBYAVNYMH-UHFFFAOYSA-N 0 0 171.627 2.522 10 0 AFAERN CC(C)[C@H](CO)Sc1ccccc1 238155900 344794749 /nfs/dbraw/zinc/79/47/49/344794749.db2.gz JVJIIWKWJSMHTL-NSHDSACASA-N 0 0 196.315 2.796 10 0 AFAERN CC1=CC[C@]2(CCCCC2=O)C1 238174684 344794810 /nfs/dbraw/zinc/79/48/10/344794810.db2.gz VJYXCDBKSPAGGI-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CC(C)(C)[C@H]([NH3+])c1ccc(Cl)nc1 238173803 344794927 /nfs/dbraw/zinc/79/49/27/344794927.db2.gz OBGBGLPYKDPGHD-SECBINFHSA-N 0 0 198.697 2.781 10 0 AFAERN CCCC1(C)CCC(=O)CC1 238196555 344795344 /nfs/dbraw/zinc/79/53/44/344795344.db2.gz OOCFPVSDGXYBDR-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 in-vitro AFAERN CC1CC(C(=O)Nc2ccccc2)C1 238197102 344795409 /nfs/dbraw/zinc/79/54/09/344795409.db2.gz NXVZIRIISBCONT-UHFFFAOYSA-N 0 0 189.258 2.671 10 0 AFAERN CC(C)C(=O)CC1CC=CC1 238188768 344795415 /nfs/dbraw/zinc/79/54/15/344795415.db2.gz OSWQOCREMBUKRI-UHFFFAOYSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1cc(O)c(C(=O)C(C)C)cc1C 238203965 344795812 /nfs/dbraw/zinc/79/58/12/344795812.db2.gz PMANUZUZYWJYLJ-UHFFFAOYSA-N 0 0 192.258 2.848 10 0 AFAERN CC(F)(F)CNc1ccccc1 238206194 344795836 /nfs/dbraw/zinc/79/58/36/344795836.db2.gz VLIJFJVLHUDJML-UHFFFAOYSA-N 0 0 171.190 2.754 10 0 AFAERN CCC(=O)C[C@@H]1CC=CCC1 238202696 344795942 /nfs/dbraw/zinc/79/59/42/344795942.db2.gz GVSDSCYPHJBHKJ-SECBINFHSA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)[C@H]1CCCC(=O)[C@@H]1C 238229848 344796515 /nfs/dbraw/zinc/79/65/15/344796515.db2.gz WMZFXERFCVXBJO-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC/C(=C/CO)CC 238233828 344796462 /nfs/dbraw/zinc/79/64/62/344796462.db2.gz XDNRQEODFWXIGZ-VQHVLOKHSA-N 0 0 142.242 2.505 10 0 AFAERN C=C(NC(=O)CCC)c1ccccc1 238231825 344796509 /nfs/dbraw/zinc/79/65/09/344796509.db2.gz PRVKAISNFYEMJA-UHFFFAOYSA-N 0 0 189.258 2.574 10 0 AFAERN CC1=CCCCC(=O)C1(C)C 238229830 344796541 /nfs/dbraw/zinc/79/65/41/344796541.db2.gz VCPZYKZAQGPZCH-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)[C@H]1CCCC(=O)[C@H]1C 238229889 344796594 /nfs/dbraw/zinc/79/65/94/344796594.db2.gz WMZFXERFCVXBJO-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CCC1(CC)N=C(C)CC(C)(C)N1 238227966 344796639 /nfs/dbraw/zinc/79/66/39/344796639.db2.gz HIXHOYHRGQAELA-UHFFFAOYSA-N 0 0 182.311 2.736 10 0 AFAERN CCCC/C(=C/CCO)CC 238233811 344796652 /nfs/dbraw/zinc/79/66/52/344796652.db2.gz UCVGKOXHSBIIIT-CSKARUKUSA-N 0 0 156.269 2.895 10 0 AFAERN CC=C1CCCC(O)CCC1 238240163 344796984 /nfs/dbraw/zinc/79/69/84/344796984.db2.gz FPZQMAPPXPMHKR-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H](CO)C1=CCCCC1 238271947 344797947 /nfs/dbraw/zinc/79/79/47/344797947.db2.gz CFJDHHCTYDFSHI-VIFPVBQESA-N 0 0 154.253 2.505 10 0 AFAERN C=C=CCCCC[C@H](O)CC 238269830 344798156 /nfs/dbraw/zinc/79/81/56/344798156.db2.gz HLKIXUVWZSBLMN-SNVBAGLBSA-N 0 0 154.253 2.659 10 0 AFAERN CCc1ccc(NC(C)=O)c(CC)c1 238282028 344798480 /nfs/dbraw/zinc/79/84/80/344798480.db2.gz GBEZRKZQLCPGIH-UHFFFAOYSA-N 0 0 191.274 2.770 10 0 AFAERN CC[Si](CC)(CC)/C(C)=C/CO 238274417 344798513 /nfs/dbraw/zinc/79/85/13/344798513.db2.gz XSDAUIUGZAGNEB-CSKARUKUSA-N 0 0 186.371 2.973 10 0 AFAERN CCn1ncc2c1NC(C)(C)C=C2C 238281419 344798561 /nfs/dbraw/zinc/79/85/61/344798561.db2.gz XOIWVVSIICQEAZ-UHFFFAOYSA-N 0 0 191.278 2.510 10 0 AFAERN CC[C@@H](O)c1c(C)cccc1F 238283297 344798575 /nfs/dbraw/zinc/79/85/75/344798575.db2.gz IHDLUHPWXVKJFF-SECBINFHSA-N 0 0 168.211 2.578 10 0 AFAERN CC[C@H](C)Nc1cc(O)ccc1C 238284039 344798867 /nfs/dbraw/zinc/79/88/67/344798867.db2.gz JYFYKTWJVUGPTL-VIFPVBQESA-N 0 0 179.263 2.911 10 0 AFAERN CCc1ncc(Cl)c(N)c1Cl 238284163 344798940 /nfs/dbraw/zinc/79/89/40/344798940.db2.gz KYZAXDZRNAAVFL-UHFFFAOYSA-N 0 0 191.061 2.533 10 0 AFAERN CCn1c(C)cc2cc(O)ccc21 238289569 344799023 /nfs/dbraw/zinc/79/90/23/344799023.db2.gz QHHXZBIAOOUXIM-UHFFFAOYSA-N 0 0 175.231 2.675 10 0 AFAERN CCO[C@H]1CCNc2ccccc21 238294790 344799386 /nfs/dbraw/zinc/79/93/86/344799386.db2.gz IISXMFWUTYSMEM-NSHDSACASA-N 0 0 177.247 2.580 10 0 AFAERN CCc1ccc2nc(F)sc2c1 238293572 344799524 /nfs/dbraw/zinc/79/95/24/344799524.db2.gz RLOBCLCSNLLKJQ-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CC[C@H](C(C)=O)C(C)(C)C 238302080 344799899 /nfs/dbraw/zinc/79/98/99/344799899.db2.gz VTWLXSARJYAHKT-MRVPVSSYSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@@]1(CCCO)C=CCC1 238309704 344799988 /nfs/dbraw/zinc/79/99/88/344799988.db2.gz IRYLTEQIUKCHPS-SNVBAGLBSA-N 0 0 154.253 2.505 10 0 AFAERN COC(=O)N[C@@H]1CCCC(C)(C)CC1 238317348 344799992 /nfs/dbraw/zinc/79/99/92/344799992.db2.gz CZIOPNVBJOOCKU-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@@H](C(C)=O)C(C)(C)C 238317205 344800061 /nfs/dbraw/zinc/80/00/61/344800061.db2.gz VTWLXSARJYAHKT-QMMMGPOBSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@H](O)c1c(C)cccc1F 238316826 344800348 /nfs/dbraw/zinc/80/03/48/344800348.db2.gz IHDLUHPWXVKJFF-VIFPVBQESA-N 0 0 168.211 2.578 10 0 AFAERN COC(=O)N[C@H]1CCCC(C)(C)CC1 238320885 344800485 /nfs/dbraw/zinc/80/04/85/344800485.db2.gz CZIOPNVBJOOCKU-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN COc1cc(F)c(F)cc1C(F)F 238348018 344802270 /nfs/dbraw/zinc/80/22/70/344802270.db2.gz QYVUVNZNWNZACN-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN COc1cc(F)c(F)cc1SC 238348490 344802324 /nfs/dbraw/zinc/80/23/24/344802324.db2.gz FTLLVWXDALENSH-UHFFFAOYSA-N 0 0 190.214 2.695 10 0 AFAERN COc1cc(F)c(F)c(Cl)c1 238347630 344802346 /nfs/dbraw/zinc/80/23/46/344802346.db2.gz DCZRPFROFIGTNZ-UHFFFAOYSA-N 0 0 178.565 2.627 10 0 AFAERN COc1cc(C(F)F)ccc1C 238348401 344802377 /nfs/dbraw/zinc/80/23/77/344802377.db2.gz NCMRGXMGVVELAL-UHFFFAOYSA-N 0 0 172.174 2.941 10 0 AFAERN COc1ccc(C)c(C(F)F)c1 238361727 344803116 /nfs/dbraw/zinc/80/31/16/344803116.db2.gz ZQUHUIASBSVFBK-UHFFFAOYSA-N 0 0 172.174 2.941 10 0 AFAERN COc1cccc(C(F)F)c1C 238364082 344803139 /nfs/dbraw/zinc/80/31/39/344803139.db2.gz CJSALPNMSIJTQL-UHFFFAOYSA-N 0 0 172.174 2.941 10 0 AFAERN COc1ccc(C)c([S-])c1C 238363106 344803204 /nfs/dbraw/zinc/80/32/04/344803204.db2.gz TVLUNDMVWBDGRU-UHFFFAOYSA-N 0 0 168.261 2.601 10 0 AFAERN COc1cc(F)c2ccccc2c1 238364427 344803242 /nfs/dbraw/zinc/80/32/42/344803242.db2.gz PYEVFBZSAPALSU-UHFFFAOYSA-N 0 0 176.190 2.988 10 0 AFAERN COc1ccc(C)c(C)c1[S-] 238361928 344803280 /nfs/dbraw/zinc/80/32/80/344803280.db2.gz FWXHPXPBJSUKJO-UHFFFAOYSA-N 0 0 168.261 2.601 10 0 AFAERN CCc1ccc(CC)c(NC(C)=O)c1 238360021 344803302 /nfs/dbraw/zinc/80/33/02/344803302.db2.gz WUOPTQTXPMKWDT-UHFFFAOYSA-N 0 0 191.274 2.770 10 0 AFAERN COc1cccc(C)c1C(F)F 238365289 344803414 /nfs/dbraw/zinc/80/34/14/344803414.db2.gz BPXGJBYIPHDGFL-UHFFFAOYSA-N 0 0 172.174 2.941 10 0 AFAERN C[C@@H](CO)C(C)(C)c1ccccc1 238368537 344803422 /nfs/dbraw/zinc/80/34/22/344803422.db2.gz RBTXKPHFDVJVFN-JTQLQIEISA-N 0 0 178.275 2.593 10 0 AFAERN COc1c(C)cccc1OC(F)F 238365637 344803452 /nfs/dbraw/zinc/80/34/52/344803452.db2.gz BIEAVPTZLFCPJE-UHFFFAOYSA-N 0 0 188.173 2.605 10 0 AFAERN COc1c(C)cccc1C(F)F 238365203 344803526 /nfs/dbraw/zinc/80/35/26/344803526.db2.gz KSPYFJSYICSNJI-UHFFFAOYSA-N 0 0 172.174 2.941 10 0 AFAERN COc1cccc(C)c1OC(F)F 238365604 344803616 /nfs/dbraw/zinc/80/36/16/344803616.db2.gz ANDDRLGVTLJIDM-UHFFFAOYSA-N 0 0 188.173 2.605 10 0 AFAERN COc1cc(C)cc(C(F)F)c1 238373233 344803627 /nfs/dbraw/zinc/80/36/27/344803627.db2.gz VTNJEKJXUPPZOO-UHFFFAOYSA-N 0 0 172.174 2.941 10 0 AFAERN CSCc1ccc(C)nc1Cl 238377786 344803980 /nfs/dbraw/zinc/80/39/80/344803980.db2.gz MPUYHKRVIIFAPK-UHFFFAOYSA-N 0 0 187.695 2.906 10 0 AFAERN COc1cc(C)ccc1C(F)F 238378386 344804028 /nfs/dbraw/zinc/80/40/28/344804028.db2.gz BYVRFTMRJLSLCF-UHFFFAOYSA-N 0 0 172.174 2.941 10 0 AFAERN COc1ccc(OC(F)F)cc1C 238385202 344804214 /nfs/dbraw/zinc/80/42/14/344804214.db2.gz LTSCIPLYARCYBJ-UHFFFAOYSA-N 0 0 188.173 2.605 10 0 AFAERN CSc1cccc2c1NCCC2 238385459 344804735 /nfs/dbraw/zinc/80/47/35/344804735.db2.gz CFLQSNKCRJSGGS-UHFFFAOYSA-N 0 0 179.288 2.767 10 0 AFAERN C[C@@H]1CCCC[C@H]1n1cccn1 238395991 344805009 /nfs/dbraw/zinc/80/50/09/344805009.db2.gz OMNKUSFHMIQXPL-NXEZZACHSA-N 0 0 164.252 2.634 10 0 AFAERN COc1cccc2cccc(F)c12 238405722 344805593 /nfs/dbraw/zinc/80/55/93/344805593.db2.gz MXJINSZTQOLELM-UHFFFAOYSA-N 0 0 176.190 2.988 10 0 AFAERN COc1c(F)cc(C(F)F)cc1F 238404995 344805692 /nfs/dbraw/zinc/80/56/92/344805692.db2.gz BYERXTZVZRLYOJ-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN C[C@H](O)CC(F)(F)c1ccccc1 238426435 344806080 /nfs/dbraw/zinc/80/60/80/344806080.db2.gz IBYLOEUGMMAWGM-QMMMGPOBSA-N 0 0 186.201 2.549 10 0 AFAERN C/C(=C\CO)[C@H](C)c1ccccc1 238427455 344806107 /nfs/dbraw/zinc/80/61/07/344806107.db2.gz JXHXGLIJVKNILW-UQSGXBNBSA-N 0 0 176.259 2.729 10 0 AFAERN C[C@@H](O)CC(F)(F)c1ccccc1 238428022 344806274 /nfs/dbraw/zinc/80/62/74/344806274.db2.gz IBYLOEUGMMAWGM-MRVPVSSYSA-N 0 0 186.201 2.549 10 0 AFAERN C[C@H]1CCCC[C@@H]1n1cccn1 238429288 344806375 /nfs/dbraw/zinc/80/63/75/344806375.db2.gz OMNKUSFHMIQXPL-UWVGGRQHSA-N 0 0 164.252 2.634 10 0 AFAERN Cc1cccc(Cl)c1[C@H](C)O 238433881 344806398 /nfs/dbraw/zinc/80/63/98/344806398.db2.gz VNVMVSRTVLZSQA-ZETCQYMHSA-N 0 0 170.639 2.702 10 0 AFAERN C[C@H](NO)c1c(F)cccc1Cl 238428260 344806399 /nfs/dbraw/zinc/80/63/99/344806399.db2.gz KWDKIMURBWZZQZ-YFKPBYRVSA-N 0 0 189.617 2.519 10 0 AFAERN C[C@H](CO)C(C)(C)c1ccccc1 238429748 344806471 /nfs/dbraw/zinc/80/64/71/344806471.db2.gz RBTXKPHFDVJVFN-SNVBAGLBSA-N 0 0 178.275 2.593 10 0 AFAERN C/C(=C\CO)[C@@H](C)c1ccccc1 238428849 344806544 /nfs/dbraw/zinc/80/65/44/344806544.db2.gz JXHXGLIJVKNILW-RJCSOLBVSA-N 0 0 176.259 2.729 10 0 AFAERN C[C@@H]1CCC(=O)c2cccc(F)c21 238436225 344806664 /nfs/dbraw/zinc/80/66/64/344806664.db2.gz ZGCYRSODTDCYRU-SSDOTTSWSA-N 0 0 178.206 2.906 10 0 AFAERN C[C@H]1CCCC[C@H]1n1cccn1 238438620 344806708 /nfs/dbraw/zinc/80/67/08/344806708.db2.gz OMNKUSFHMIQXPL-VHSXEESVSA-N 0 0 164.252 2.634 10 0 AFAERN CC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 238436179 344806837 /nfs/dbraw/zinc/80/68/37/344806837.db2.gz SCAOCHRMIQUIAJ-NQMVMOMDSA-N 0 0 154.253 2.648 10 0 AFAERN C[Si](C)(C)c1c[nH]c2ccccc12 238452126 344807157 /nfs/dbraw/zinc/80/71/57/344807157.db2.gz MRUKOUNVMFKODM-UHFFFAOYSA-N 0 0 189.334 2.713 10 0 AFAERN Cc1c[nH]cc1C(=O)c1ccccc1 238442771 344807173 /nfs/dbraw/zinc/80/71/73/344807173.db2.gz XAJBGLGVYCYHOZ-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)c1ccccc1 238444281 344807242 /nfs/dbraw/zinc/80/72/42/344807242.db2.gz QEGYGTYWKZFWEM-BXKDBHETSA-N 0 0 174.243 2.915 10 0 AFAERN Cc1cc(C)nc(OC(F)(F)F)c1 238459299 344807525 /nfs/dbraw/zinc/80/75/25/344807525.db2.gz VIIRYNHRFVMGRP-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Cc1ccc(C)c(OC(F)(F)F)n1 238454653 344807575 /nfs/dbraw/zinc/80/75/75/344807575.db2.gz KDMXLLVHKZOVCH-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN C[C@H]1CCC[C@@H]2C=CC[C@@H](C=O)[C@@H]12 238453147 344807549 /nfs/dbraw/zinc/80/75/49/344807549.db2.gz FNNNWYULYUGBGO-USZNOCQGSA-N 0 0 178.275 2.814 10 0 AFAERN C[C@H]1CCC[C@@H]2CC(=O)CC[C@@H]12 238453219 344807554 /nfs/dbraw/zinc/80/75/54/344807554.db2.gz HVKUGIOOHNTDPS-NGZCFLSTSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C[C@]1(C)C(=O)c1ccccc1 238456308 344807562 /nfs/dbraw/zinc/80/75/62/344807562.db2.gz QEGYGTYWKZFWEM-CABZTGNLSA-N 0 0 174.243 2.915 10 0 AFAERN Cc1cccc2c1CC[C@H](C)N2 238462411 344807713 /nfs/dbraw/zinc/80/77/13/344807713.db2.gz IKVXOPFJKBIONC-VIFPVBQESA-N 0 0 161.248 2.742 10 0 AFAERN CC(=O)c1ccc2c(c1)CC[C@H](C)N2 238462879 344807765 /nfs/dbraw/zinc/80/77/65/344807765.db2.gz LUFRUTIWVVDXIW-QMMMGPOBSA-N 0 0 189.258 2.636 10 0 AFAERN Cc1ccc(OC(F)(F)F)nc1C 238463421 344807785 /nfs/dbraw/zinc/80/77/85/344807785.db2.gz SWHDIIZAEDHCIB-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN C[C@@H]1CCCC[C@@H]1n1cccn1 238460761 344807787 /nfs/dbraw/zinc/80/77/87/344807787.db2.gz OMNKUSFHMIQXPL-ZJUUUORDSA-N 0 0 164.252 2.634 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)c1ccccc1 238466704 344807861 /nfs/dbraw/zinc/80/78/61/344807861.db2.gz QEGYGTYWKZFWEM-SKDRFNHKSA-N 0 0 174.243 2.915 10 0 AFAERN Cc1ccccc1C1=CC[C@@H](O)CC1 238465039 344807947 /nfs/dbraw/zinc/80/79/47/344807947.db2.gz KARZBPPXMMRKCI-GFCCVEGCSA-N 0 0 188.270 2.923 10 0 AFAERN C[C@H]1CCC[C@H]2CC(=O)CC[C@@H]12 238462865 344807965 /nfs/dbraw/zinc/80/79/65/344807965.db2.gz HVKUGIOOHNTDPS-QXEWZRGKSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccnc(C)c1OC(F)(F)F 238467883 344808077 /nfs/dbraw/zinc/80/80/77/344808077.db2.gz OKIMPIYZFYPICE-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Cc1cc(O)cc(OC(F)(F)F)c1 238479185 344808279 /nfs/dbraw/zinc/80/82/79/344808279.db2.gz KSKDDKHZTTZPST-UHFFFAOYSA-N 0 0 192.136 2.599 10 0 AFAERN C[C@H]1CCC(=O)c2cccc(F)c21 238477810 344808294 /nfs/dbraw/zinc/80/82/94/344808294.db2.gz ZGCYRSODTDCYRU-ZETCQYMHSA-N 0 0 178.206 2.906 10 0 AFAERN Cc1cc(O)cc(C(F)F)c1 238476389 344808316 /nfs/dbraw/zinc/80/83/16/344808316.db2.gz LIZNSQLUZCWQAX-UHFFFAOYSA-N 0 0 158.147 2.638 10 0 AFAERN CC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 238477347 344808357 /nfs/dbraw/zinc/80/83/57/344808357.db2.gz SCAOCHRMIQUIAJ-QXFUBDJGSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc(-c2ncc(C=O)o2)s1 238479632 344808719 /nfs/dbraw/zinc/80/87/19/344808719.db2.gz JHQHFGLRCYWCIU-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1cc(OC(F)(F)F)cc(C)n1 238494071 344809309 /nfs/dbraw/zinc/80/93/09/344809309.db2.gz LULWKEHLUJNFFJ-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Cc1coc([C@@H](O)c2ccccc2)c1 238496234 344809326 /nfs/dbraw/zinc/80/93/26/344809326.db2.gz LKRAAUJVFDAOSO-LBPRGKRZSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1cc(=O)c2ccc[nH]c-2c1Cl 238494140 344809373 /nfs/dbraw/zinc/80/93/73/344809373.db2.gz AOWCCOCNCGQDTJ-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1cnc2ccccc2c1/C=C/CO 238491409 344809458 /nfs/dbraw/zinc/80/94/58/344809458.db2.gz AASKBXZTPGPCEG-GQCTYLIASA-N 0 0 199.253 2.549 10 0 AFAERN Cc1cc(OC(F)(F)F)c(C)cn1 238491915 344809497 /nfs/dbraw/zinc/80/94/97/344809497.db2.gz MJHZPDYXNLPWBL-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Cc1coc([C@H](O)c2ccccc2)c1 238496400 344809516 /nfs/dbraw/zinc/80/95/16/344809516.db2.gz LKRAAUJVFDAOSO-GFCCVEGCSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1cc(Cl)c(CO)cc1Cl 238497142 344809683 /nfs/dbraw/zinc/80/96/83/344809683.db2.gz RSFFONBFVSMAHY-UHFFFAOYSA-N 0 0 191.057 2.794 10 0 AFAERN Cc1ccc2c(c1)[C@@H](O)CCS2 238502639 344809703 /nfs/dbraw/zinc/80/97/03/344809703.db2.gz FDJWJLFQRPFLCM-VIFPVBQESA-N 0 0 180.272 2.524 10 0 AFAERN Cc1ccc2c(c1)[C@H](O)CCS2 238502540 344809744 /nfs/dbraw/zinc/80/97/44/344809744.db2.gz FDJWJLFQRPFLCM-SECBINFHSA-N 0 0 180.272 2.524 10 0 AFAERN Cc1cc2c(C)c(C)oc2cc1N 238497779 344809803 /nfs/dbraw/zinc/80/98/03/344809803.db2.gz UMWOALBWTOKKMQ-UHFFFAOYSA-N 0 0 175.231 2.940 10 0 AFAERN Cc1cc2cnccc2c(Cl)n1 238515052 344810069 /nfs/dbraw/zinc/81/00/69/344810069.db2.gz RXTSJDPIEPRVNR-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN Cc1ncsc1-c1ccc(N)cc1 238508888 344810131 /nfs/dbraw/zinc/81/01/31/344810131.db2.gz GPUQAMULFXEECX-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1c(N)c(=S)[nH]c2ccccc12 238512551 344810194 /nfs/dbraw/zinc/81/01/94/344810194.db2.gz AVCBYSKLWNXPEP-UHFFFAOYSA-N 0 0 190.271 2.788 10 0 AFAERN Cc1cc2oc(C)c(C)c2cc1N 238523191 344810419 /nfs/dbraw/zinc/81/04/19/344810419.db2.gz DVICRYNMPKSNOJ-UHFFFAOYSA-N 0 0 175.231 2.940 10 0 AFAERN Clc1ncccc1-c1ccoc1 238524750 344810728 /nfs/dbraw/zinc/81/07/28/344810728.db2.gz OJILHAQLAFOOLO-UHFFFAOYSA-N 0 0 179.606 2.995 10 0 AFAERN Clc1ncccc1OC1CCC1 238523956 344810911 /nfs/dbraw/zinc/81/09/11/344810911.db2.gz IPETYWDTKXKKKV-UHFFFAOYSA-N 0 0 183.638 2.666 10 0 AFAERN Clc1ncccc1-c1ccco1 238524719 344810965 /nfs/dbraw/zinc/81/09/65/344810965.db2.gz GJERAACYZUABNI-UHFFFAOYSA-N 0 0 179.606 2.995 10 0 AFAERN Cc1nc(-c2ccc(C=O)o2)cs1 238532632 344811108 /nfs/dbraw/zinc/81/11/08/344811108.db2.gz SLFQDBNKHWFUMR-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN FC(F)Oc1cccc2ccncc12 238530181 344811202 /nfs/dbraw/zinc/81/12/02/344811202.db2.gz DUQRTTVWJDKRBE-UHFFFAOYSA-N 0 0 195.168 2.836 10 0 AFAERN FC(F)Oc1cncc2ccccc12 238532153 344811344 /nfs/dbraw/zinc/81/13/44/344811344.db2.gz MITKTJLRJLOHEF-UHFFFAOYSA-N 0 0 195.168 2.836 10 0 AFAERN FC(F)(F)Oc1cc(Cl)ccn1 238530156 344811356 /nfs/dbraw/zinc/81/13/56/344811356.db2.gz KCDRJNVNUWZOTE-UHFFFAOYSA-N 0 0 197.543 2.634 10 0 AFAERN Cc1cc(Cl)c2[nH]cccc-2c1=O 238534953 344811465 /nfs/dbraw/zinc/81/14/65/344811465.db2.gz RYCIUVAWTIOTPG-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1cccc(O)c1OC(F)(F)F 238535616 344811486 /nfs/dbraw/zinc/81/14/86/344811486.db2.gz VSECSNZTDZKXJI-UHFFFAOYSA-N 0 0 192.136 2.599 10 0 AFAERN FC(F)Oc1ccc2ccncc2c1 238535131 344811550 /nfs/dbraw/zinc/81/15/50/344811550.db2.gz QICGAZDTBORDEV-UHFFFAOYSA-N 0 0 195.168 2.836 10 0 AFAERN FC(F)(F)Oc1ccc(Cl)cn1 238535039 344811563 /nfs/dbraw/zinc/81/15/63/344811563.db2.gz ZVSNSVAHQFKFEK-UHFFFAOYSA-N 0 0 197.543 2.634 10 0 AFAERN Cc1cccc(O)c1C(F)F 238534899 344811584 /nfs/dbraw/zinc/81/15/84/344811584.db2.gz UWKDVFFINUIQOI-UHFFFAOYSA-N 0 0 158.147 2.638 10 0 AFAERN FC(F)Oc1ccc2cnccc2c1 238535155 344811612 /nfs/dbraw/zinc/81/16/12/344811612.db2.gz LILQBGIKSWWSPW-UHFFFAOYSA-N 0 0 195.168 2.836 10 0 AFAERN Cc1ccc2nc(Cl)nc(C)c2c1 238535426 344811690 /nfs/dbraw/zinc/81/16/90/344811690.db2.gz UWCNPQJCYQPIJK-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN FC(F)(F)Oc1ccncc1Cl 238539089 344811721 /nfs/dbraw/zinc/81/17/21/344811721.db2.gz FUHPPOBGQJMDMM-UHFFFAOYSA-N 0 0 197.543 2.634 10 0 AFAERN Cc1cnc(OC(F)(F)F)c(C)c1 238535171 344811725 /nfs/dbraw/zinc/81/17/25/344811725.db2.gz PQRWRNYOGIJFQK-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Cc1cccc(C2=CC[C@@H](O)CC2)c1 238547344 344812037 /nfs/dbraw/zinc/81/20/37/344812037.db2.gz CBMZVPOBVGIJEC-CYBMUJFWSA-N 0 0 188.270 2.923 10 0 AFAERN Cc1cc2c(cc1Cl)NC(=O)CC2 238541836 344812058 /nfs/dbraw/zinc/81/20/58/344812058.db2.gz JQOWHMAXYIAKIH-UHFFFAOYSA-N 0 0 195.649 2.533 10 0 AFAERN Cc1cccc(C2=CC[C@H](O)CC2)c1 238547354 344812101 /nfs/dbraw/zinc/81/21/01/344812101.db2.gz CBMZVPOBVGIJEC-ZDUSSCGKSA-N 0 0 188.270 2.923 10 0 AFAERN Cc1c(O)cccc1OC(F)(F)F 238542320 344812122 /nfs/dbraw/zinc/81/21/22/344812122.db2.gz SQDVOUHHTSJAJM-UHFFFAOYSA-N 0 0 192.136 2.599 10 0 AFAERN Cc1c[nH]c(C(=O)C(C)(C)C)c1C 238553814 344812379 /nfs/dbraw/zinc/81/23/79/344812379.db2.gz HZEHQQWERGPOPJ-UHFFFAOYSA-N 0 0 179.263 2.860 10 0 AFAERN FC(F)(F)Oc1ncccc1Cl 238550159 344812452 /nfs/dbraw/zinc/81/24/52/344812452.db2.gz XJLUDUFLPPQILA-UHFFFAOYSA-N 0 0 197.543 2.634 10 0 AFAERN Clc1ccnc(C2CCOCC2)c1 238553898 344812550 /nfs/dbraw/zinc/81/25/50/344812550.db2.gz KLCYDJSQVAQXJH-UHFFFAOYSA-N 0 0 197.665 2.629 10 0 AFAERN Cc1ccc(-c2ccc(CO)nc2)cc1 238557510 344812758 /nfs/dbraw/zinc/81/27/58/344812758.db2.gz MCNXXCFRRNJQRP-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1ccc(-c2cncc(N)c2)s1 238561236 344812770 /nfs/dbraw/zinc/81/27/70/344812770.db2.gz UBCKGBOBOKEFBS-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(-c2ccc(O)cc2)nc1 238558106 344812796 /nfs/dbraw/zinc/81/27/96/344812796.db2.gz FLVZYJFCRXEMIL-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN O=Cc1cccc2cc(Cl)ncc12 238556702 344813067 /nfs/dbraw/zinc/81/30/67/344813067.db2.gz JDZMTPFCJXAQDJ-UHFFFAOYSA-N 0 0 191.617 2.701 10 0 AFAERN Clc1ncnc(C2CCCCC2)n1 238574259 344813840 /nfs/dbraw/zinc/81/38/40/344813840.db2.gz DESSFPMDQHBOGE-UHFFFAOYSA-N 0 0 197.669 2.573 10 0 AFAERN O=Cc1cc(F)c2ccccc2c1 238584995 344814576 /nfs/dbraw/zinc/81/45/76/344814576.db2.gz GIIQDMXDMSDXAI-UHFFFAOYSA-N 0 0 174.174 2.791 10 0 AFAERN Nc1ccc(O)c2cc(Cl)ccc12 238606326 344815345 /nfs/dbraw/zinc/81/53/45/344815345.db2.gz IWCWSSSQRQNRHW-UHFFFAOYSA-N 0 0 193.633 2.781 10 0 AFAERN Nc1ccc(O)c2ccc(Cl)cc12 238606474 344815490 /nfs/dbraw/zinc/81/54/90/344815490.db2.gz JQYYVQBLEKRRAQ-UHFFFAOYSA-N 0 0 193.633 2.781 10 0 AFAERN Nc1cccc(Cl)c1C(F)F 238622423 344816051 /nfs/dbraw/zinc/81/60/51/344816051.db2.gz SECFBAQURNIPQE-UHFFFAOYSA-N 0 0 177.581 2.860 10 0 AFAERN O=Cc1ccc2ccc(F)cc2c1 238622256 344816070 /nfs/dbraw/zinc/81/60/70/344816070.db2.gz RQADDYLOEWJYAT-UHFFFAOYSA-N 0 0 174.174 2.791 10 0 AFAERN OCC=C=Cc1ccc(Cl)cc1 238633361 344816244 /nfs/dbraw/zinc/81/62/44/344816244.db2.gz CEFYWZGJINTUOH-UHFFFAOYSA-N 0 0 180.634 2.501 10 0 AFAERN Nc1cccc(OC(F)F)c1Cl 238627671 344816482 /nfs/dbraw/zinc/81/64/82/344816482.db2.gz YCFFEAIQTWYOJQ-UHFFFAOYSA-N 0 0 193.580 2.524 10 0 AFAERN O=c1ccc2c(C(F)F)cc[nH]c-2c1 238666580 344817609 /nfs/dbraw/zinc/81/76/09/344817609.db2.gz OWZBMNGJLLPJTG-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1ccc2cc(C(F)F)ccc2[nH]1 238668701 344817653 /nfs/dbraw/zinc/81/76/53/344817653.db2.gz BHSMXQQCKUIJCX-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1ccc2cc(C(F)F)c[nH]c-2c1 238668738 344817731 /nfs/dbraw/zinc/81/77/31/344817731.db2.gz OAUPEKIGPMIKNV-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1ccc2c(C(F)F)cccc2[nH]1 238666540 344817764 /nfs/dbraw/zinc/81/77/64/344817764.db2.gz PIORFHSQSOQXER-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O[C@H](/C=C/C(F)F)c1ccccc1 238669058 344817827 /nfs/dbraw/zinc/81/78/27/344817827.db2.gz QWTTYBWEEOTNBD-XCODYQFDSA-N 0 0 184.185 2.541 10 0 AFAERN O[C@H]1C[C@H](c2ccc(Cl)cc2)C1 238672120 344818047 /nfs/dbraw/zinc/81/80/47/344818047.db2.gz CTVLRDXCHXTXHT-WAAGHKOSSA-N 0 0 182.650 2.578 10 0 AFAERN Nc1cc(Cl)c(N)c2ccccc12 238670519 344818060 /nfs/dbraw/zinc/81/80/60/344818060.db2.gz YUTDLBZVBQXGSG-UHFFFAOYSA-N 0 0 192.649 2.658 10 0 AFAERN O=c1ccc2cccc(C(F)F)c2[nH]1 238670869 344818061 /nfs/dbraw/zinc/81/80/61/344818061.db2.gz BSZVAHALCYJKSF-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1ccc2ccc[nH]c-2c1C(F)F 238672202 344818111 /nfs/dbraw/zinc/81/81/11/344818111.db2.gz JOPCIEUDWKSTQQ-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1ccc2ccc(C(F)F)cc2[nH]1 238670099 344818115 /nfs/dbraw/zinc/81/81/15/344818115.db2.gz RCHMKRRHHVDVJB-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1ccc2ccc(C(F)F)[nH]c-2c1 238670142 344818117 /nfs/dbraw/zinc/81/81/17/344818117.db2.gz KWCXHPFTRHPCJY-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1ccc2nccc(C(F)F)c2c1 238674166 344818124 /nfs/dbraw/zinc/81/81/24/344818124.db2.gz WYAAALVPZILSGR-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cc(C(F)F)cc2cccnc12 238673449 344818126 /nfs/dbraw/zinc/81/81/26/344818126.db2.gz HOBGDJWMTXITSQ-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1cc(C(F)F)cc2[nH]cccc1-2 238673489 344818131 /nfs/dbraw/zinc/81/81/31/344818131.db2.gz WZZKKHIVODLGRX-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=C1[C@H]2CC[C@@]13CCCC[C@@H]3C2 238670720 344818148 /nfs/dbraw/zinc/81/81/48/344818148.db2.gz SZMMZAOZDVNUAN-IQJOONFLSA-N 0 0 164.248 2.546 10 0 AFAERN Oc1ccc2ncc(C(F)F)cc2c1 238673868 344818151 /nfs/dbraw/zinc/81/81/51/344818151.db2.gz WJASQXVNVVPKEL-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN OCc1cc(Cl)c2ccccc2c1 238675406 344818168 /nfs/dbraw/zinc/81/81/68/344818168.db2.gz IOBCHKZSKRHDPY-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN Oc1ccc2nc(C(F)F)ccc2c1 238673253 344818185 /nfs/dbraw/zinc/81/81/85/344818185.db2.gz FZUWRLCEUKCHQB-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN OCc1cc2ccccc2cc1Cl 238681557 344818566 /nfs/dbraw/zinc/81/85/66/344818566.db2.gz LHNBRZDLQQJTCI-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN Oc1cnc2ccc(C(F)F)cc2c1 238692750 344819230 /nfs/dbraw/zinc/81/92/30/344819230.db2.gz BRDUJSBFQAEIAC-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cnc2cccc(C(F)F)c2c1 238692860 344819234 /nfs/dbraw/zinc/81/92/34/344819234.db2.gz ZOGPKVHQLHMFPS-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cc(Cl)cc2cc[nH]c12 238692022 344819393 /nfs/dbraw/zinc/81/93/93/344819393.db2.gz IDLSRDZAJPYVAG-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN Oc1cc(Cl)cc(OC(F)F)c1 238691765 344819397 /nfs/dbraw/zinc/81/93/97/344819397.db2.gz IEDBHPQEHPGKQX-UHFFFAOYSA-N 0 0 194.564 2.647 10 0 AFAERN Oc1cnc2ccccc2c1C(F)F 238693062 344819402 /nfs/dbraw/zinc/81/94/02/344819402.db2.gz SWAXCGUBXNZYPN-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cc(Cl)cc(C(F)F)c1 238691259 344819408 /nfs/dbraw/zinc/81/94/08/344819408.db2.gz IQUYWTWUOCNOEA-UHFFFAOYSA-N 0 0 178.565 2.983 10 0 AFAERN Oc1cnc2cc(C(F)F)ccc2c1 238692590 344819413 /nfs/dbraw/zinc/81/94/13/344819413.db2.gz SXQRYALTFLFRGJ-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN OCC/C=C/c1cccc(Cl)c1 238695188 344819621 /nfs/dbraw/zinc/81/96/21/344819621.db2.gz KTSVPVZVVAIFBN-DAFODLJHSA-N 0 0 182.650 2.736 10 0 AFAERN [O-]c1cc(F)c(C(F)F)cc1F 238695550 344819664 /nfs/dbraw/zinc/81/96/64/344819664.db2.gz OUXRCUYKEVFEME-UHFFFAOYSA-N 0 0 180.100 2.608 10 0 AFAERN OCC/C=C/c1ccc2ncccc2c1 238695256 344819695 /nfs/dbraw/zinc/81/96/95/344819695.db2.gz PIGKFAXZIOXNTA-DAFODLJHSA-N 0 0 199.253 2.630 10 0 AFAERN Oc1cc(OC(F)F)ccc1Cl 238708292 344820499 /nfs/dbraw/zinc/82/04/99/344820499.db2.gz OCOXZWRDLKIJBC-UHFFFAOYSA-N 0 0 194.564 2.647 10 0 AFAERN O[C@@H]1CCC2(CC2)c2ccccc21 238709485 344820548 /nfs/dbraw/zinc/82/05/48/344820548.db2.gz VRPVDPQVCMHRTP-LLVKDONJSA-N 0 0 174.243 2.545 10 0 AFAERN Nc1cc(OC(F)F)ccc1Cl 238705895 344820612 /nfs/dbraw/zinc/82/06/12/344820612.db2.gz IRBKNCLBMZLWGY-UHFFFAOYSA-N 0 0 193.580 2.524 10 0 AFAERN Oc1c(C(F)F)ccc2cccnc12 238714428 344821162 /nfs/dbraw/zinc/82/11/62/344821162.db2.gz YYNWAUCSWSZFRQ-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O[C@@H](/C=C/C(F)F)c1ccccc1 238716909 344821167 /nfs/dbraw/zinc/82/11/67/344821167.db2.gz QWTTYBWEEOTNBD-UCUJLANTSA-N 0 0 184.185 2.541 10 0 AFAERN O=c1cc2[nH]cccc-2c(C(F)F)c1 238717217 344821203 /nfs/dbraw/zinc/82/12/03/344821203.db2.gz JCBRBCQFMIIURE-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1ccc(C(F)F)c2cccnc12 238713761 344821210 /nfs/dbraw/zinc/82/12/10/344821210.db2.gz ALYYXIXAYVFHSH-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1c2ccc[nH]c-2ccc1C(F)F 238714441 344821232 /nfs/dbraw/zinc/82/12/32/344821232.db2.gz YKQMJXWBGXNGFX-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1c(Cl)cccc1OC(F)F 238720319 344821445 /nfs/dbraw/zinc/82/14/45/344821445.db2.gz BPJRUNFTDQMDEE-UHFFFAOYSA-N 0 0 194.564 2.647 10 0 AFAERN Oc1cc(Cl)c2[nH]ccc2c1 238717954 344821558 /nfs/dbraw/zinc/82/15/58/344821558.db2.gz FLGWJSFKCJRSCA-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN Oc1c(F)cc(C(F)F)cc1F 238722728 344821597 /nfs/dbraw/zinc/82/15/97/344821597.db2.gz CQKIPDAFTSLDGE-UHFFFAOYSA-N 0 0 180.100 2.608 10 0 AFAERN Oc1cc(C(F)F)c2ncccc2c1 238717227 344821646 /nfs/dbraw/zinc/82/16/46/344821646.db2.gz MQWZAUZAELBHQL-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN OCc1cccc2cccc(Cl)c12 238727539 344821902 /nfs/dbraw/zinc/82/19/02/344821902.db2.gz QVAHFSFWLUQTSN-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN O=c1cccc2[nH]cc(C(F)F)cc1-2 238726910 344821922 /nfs/dbraw/zinc/82/19/22/344821922.db2.gz FIJSCMBVSZMTNK-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cccc(OC(F)F)c1Cl 238725396 344821950 /nfs/dbraw/zinc/82/19/50/344821950.db2.gz RJHPZWNLXRDUEY-UHFFFAOYSA-N 0 0 194.564 2.647 10 0 AFAERN O=c1cc2[nH]cccc-2cc1C(F)F 238725293 344821969 /nfs/dbraw/zinc/82/19/69/344821969.db2.gz FLPXHAWEDWYLHD-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cccc2cc(C(F)F)cnc12 238726399 344821982 /nfs/dbraw/zinc/82/19/82/344821982.db2.gz OOILDEMLVMMVRN-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cccc(Cl)c1OC(F)F 238724338 344822065 /nfs/dbraw/zinc/82/20/65/344822065.db2.gz ZUIPKVOUSNXKIP-UHFFFAOYSA-N 0 0 194.564 2.647 10 0 AFAERN Oc1cc2cccnc2cc1C(F)F 238725121 344822076 /nfs/dbraw/zinc/82/20/76/344822076.db2.gz WYFNVDZPUHVPHL-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cccc2ccc(C(F)F)nc12 238726488 344822165 /nfs/dbraw/zinc/82/21/65/344822165.db2.gz VCAACEYSVJBKBN-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cccc2c(C(F)F)ccnc12 238726111 344822182 /nfs/dbraw/zinc/82/21/82/344822182.db2.gz QWQQXNLXVZZVCS-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1cccc2[nH]c(C(F)F)ccc1-2 238726637 344822187 /nfs/dbraw/zinc/82/21/87/344822187.db2.gz DQOWDZAIPHMPIW-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1cccc2[nH]ccc(C(F)F)c1-2 238726946 344822190 /nfs/dbraw/zinc/82/21/90/344822190.db2.gz SETAKVAZVLYIGK-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN Oc1cc2ccccc2nc1C(F)F 238725042 344822199 /nfs/dbraw/zinc/82/21/99/344822199.db2.gz DCCORTUTWSIJPN-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1cc[nH]c2c(C(F)F)cccc12 238728758 344822292 /nfs/dbraw/zinc/82/22/92/344822292.db2.gz FYOLFWJDEGXLSO-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1cc[nH]c2ccc(C(F)F)cc12 238728783 344822336 /nfs/dbraw/zinc/82/23/36/344822336.db2.gz KDVUCXIDRGPKIO-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN O=c1cc[nH]c2cccc(C(F)F)c12 238728791 344822446 /nfs/dbraw/zinc/82/24/46/344822446.db2.gz XSYACEDBXSQAEE-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN CC(C)[C@@H]1CCCC(=O)[C@H]1C 238794144 344822480 /nfs/dbraw/zinc/82/24/80/344822480.db2.gz WMZFXERFCVXBJO-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN O=c1cc[nH]c2cc(C(F)F)ccc12 238728770 344822484 /nfs/dbraw/zinc/82/24/84/344822484.db2.gz SOCFLCYPERJMSK-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN CC(C)[C@]1(O)CC[C@H](C)CC1 238735944 344822535 /nfs/dbraw/zinc/82/25/35/344822535.db2.gz LWKGCZOYSGKTLB-MGCOHNPYSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@@H]1CCCC(=O)[C@@H]1C 238794140 344822542 /nfs/dbraw/zinc/82/25/42/344822542.db2.gz WMZFXERFCVXBJO-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cc(Cl)c(Cl)c(CO)c1 247889296 344826967 /nfs/dbraw/zinc/82/69/67/344826967.db2.gz FLFMZWVDDIXPEY-UHFFFAOYSA-N 0 0 191.057 2.794 10 0 AFAERN CC1(C)[C@@](C)(O)[C@H]2CC[C@]1(C)C2 248034868 344827492 /nfs/dbraw/zinc/82/74/92/344827492.db2.gz QPNYENSVFYUWIZ-GDPRMGEGSA-N 0 0 168.280 2.584 10 0 AFAERN O=C(c1ccco1)[C@H]1C[C@@H]2C[C@@H]2C1 250081106 344829894 /nfs/dbraw/zinc/82/98/94/344829894.db2.gz IOWQRZFCMDISMI-AYMMMOKOSA-N 0 0 176.215 2.508 10 0 AFAERN O=C(c1cccs1)[C@@H]1[C@H]2CCC[C@H]21 250097282 344829953 /nfs/dbraw/zinc/82/99/53/344829953.db2.gz UNOXFKJAICHNJV-MBTKJCJQSA-N 0 0 192.283 2.977 10 0 AFAERN O=C(c1cccs1)[C@H]1C[C@@H]2C[C@@H]2C1 250100959 344830113 /nfs/dbraw/zinc/83/01/13/344830113.db2.gz XDFRHFDAZYSUCH-AYMMMOKOSA-N 0 0 192.283 2.977 10 0 AFAERN O=C(c1ccccc1)[C@H]1C[C@@H]2C[C@@H]2C1 250250652 344831249 /nfs/dbraw/zinc/83/12/49/344831249.db2.gz XJYWBMWVBPTYRL-ZSBIGDGJSA-N 0 0 186.254 2.915 10 0 AFAERN CCON[C@@H]1CC[C@@H]2CCCC[C@H]2C1 250412503 344833076 /nfs/dbraw/zinc/83/30/76/344833076.db2.gz WMNDLVFUFWJZLG-SDDRHHMPSA-N 0 0 197.322 2.886 10 0 AFAERN CCC(CC)[C@@H]1CC[C@H](O)[C@H]1C 250403679 344833086 /nfs/dbraw/zinc/83/30/86/344833086.db2.gz MABMBSSZDPUAMO-GDPRMGEGSA-N 0 0 170.296 2.830 10 0 AFAERN CCC(CC)[C@@H]1CC[C@@H](O)[C@H]1C 250403684 344833254 /nfs/dbraw/zinc/83/32/54/344833254.db2.gz MABMBSSZDPUAMO-JMJZKYOTSA-N 0 0 170.296 2.830 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 250484324 344834495 /nfs/dbraw/zinc/83/44/95/344834495.db2.gz ZRPZFZCZWMSSFS-IVZWLZJFSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)(C)OC(=O)[C@@H]1[C@H]2CCCC[C@H]21 250595815 344836807 /nfs/dbraw/zinc/83/68/07/344836807.db2.gz RCMOZTXHVWOUGV-MYJAWHEDSA-N 0 0 196.290 2.764 10 0 AFAERN O[C@@H](C1=CCCC1)[C@@H]1[C@H]2CCCC[C@H]21 250940053 344843297 /nfs/dbraw/zinc/84/32/97/344843297.db2.gz ZFGBTBPYTJIBLG-LOWDOPEQSA-N 0 0 192.302 2.894 10 0 AFAERN CCC[C@@H]1C[C@H](CC)CC[C@H]1O 251088746 344846455 /nfs/dbraw/zinc/84/64/55/344846455.db2.gz APCJGJRKDIPDKO-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@]1(O)CCC[C@H](C)[C@H]1C 251096741 344847004 /nfs/dbraw/zinc/84/70/04/344847004.db2.gz CMPBLYQDKFLFME-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@]1(O)CCC[C@@H](C)[C@H]1C 251096743 344847043 /nfs/dbraw/zinc/84/70/43/344847043.db2.gz CMPBLYQDKFLFME-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)[C@@H]1[C@H]2CCCC[C@H]21 251116708 344847549 /nfs/dbraw/zinc/84/75/49/344847549.db2.gz HJCNPZAWNOSBGX-BNDIWNMDSA-N 0 0 194.318 2.974 10 0 AFAERN Cc1ccc(C)c([C@@H]2C[C@@H](O)[C@H]2C)c1 251136526 344848075 /nfs/dbraw/zinc/84/80/75/344848075.db2.gz AIPOFHVSYPATFE-CYZMBNFOSA-N 0 0 190.286 2.788 10 0 AFAERN CC[C@]1(C)C(=O)[C@@H]2CCCC[C@H]21 251173185 344848586 /nfs/dbraw/zinc/84/85/86/344848586.db2.gz BZKBWJAQVQBUNA-KKZNHRDASA-N 0 0 166.264 2.792 10 0 AFAERN CCC[C@]1(O)C[C@H](C)CC[C@H]1C 251177120 344848695 /nfs/dbraw/zinc/84/86/95/344848695.db2.gz QVXVCGVVNUEOPH-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@]1(O)C[C@@H](C)C[C@@H](C)C1 251193713 344848963 /nfs/dbraw/zinc/84/89/63/344848963.db2.gz UBUXGQMNCPCUAY-JGPRNRPPSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@]1(C)[C@H](C(C)(C)C)C[C@H]1O 251256893 344850388 /nfs/dbraw/zinc/85/03/88/344850388.db2.gz NHYKQXHXBOQOHL-NGZCFLSTSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@]1(O)CCC[C@@H](C)[C@H]1C 251224378 344849898 /nfs/dbraw/zinc/84/98/98/344849898.db2.gz JMEQNSZOBPJETH-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@]1(O)CCC[C@H](C)[C@H]1C 251224375 344850111 /nfs/dbraw/zinc/85/01/11/344850111.db2.gz JMEQNSZOBPJETH-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1c2c(F)cc(F)cc2[C@@H](O)[C@H]1C 251243805 344850453 /nfs/dbraw/zinc/85/04/53/344850453.db2.gz UCZCEEANQJTWQT-BVMVBECYSA-N 0 0 198.212 2.751 10 0 AFAERN CC[C@H](C)NN1[C@H](C)CCC[C@H]1C 251293892 344851542 /nfs/dbraw/zinc/85/15/42/344851542.db2.gz AIUXLLNWTBXXPK-HBNTYKKESA-N 0 0 184.327 2.552 10 0 AFAERN CC[C@@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 251391177 344853305 /nfs/dbraw/zinc/85/33/05/344853305.db2.gz WMVLHYDPQOZPBH-VPOLOUISSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](C)S[C@H]1CCC(=O)[C@H]1C 251377572 344853395 /nfs/dbraw/zinc/85/33/95/344853395.db2.gz SGSHUZPSFHISAE-XKSSXDPKSA-N 0 0 186.320 2.886 10 0 AFAERN CC[C@H](O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 251391180 344853408 /nfs/dbraw/zinc/85/34/08/344853408.db2.gz WMVLHYDPQOZPBH-ZDCRXTMVSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H]1C[C@@H](C(C)C)CC[C@H]1O 251457040 344854058 /nfs/dbraw/zinc/85/40/58/344854058.db2.gz ALGLAZJPSUIAAA-OUAUKWLOSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H]1C[C@H](C(C)C)CC[C@H]1O 251457039 344854280 /nfs/dbraw/zinc/85/42/80/344854280.db2.gz ALGLAZJPSUIAAA-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc([C@H]2[C@H](C)[C@@H](O)[C@@H]2C)cc1 251477071 344855214 /nfs/dbraw/zinc/85/52/14/344855214.db2.gz NBFGWIBPNLPTQV-NIFPGPBJSA-N 0 0 190.286 2.725 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CC[C@H](C)[C@H](C)C1 251540746 344856292 /nfs/dbraw/zinc/85/62/92/344856292.db2.gz APLKEOBEXVJKIZ-BSJXLVFVSA-N 0 0 198.306 2.805 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CC[C@@H](C)[C@H](C)C1 251540757 344856395 /nfs/dbraw/zinc/85/63/95/344856395.db2.gz APLKEOBEXVJKIZ-PKZYVASSSA-N 0 0 198.306 2.805 10 0 AFAERN CC(=O)[C@@H]1[C@@H](C)CCC[C@H]1C 251548314 344857355 /nfs/dbraw/zinc/85/73/55/344857355.db2.gz AWYAQQOTEWIJLI-MBTKJCJQSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H]1CC[C@@](N)(C(F)(F)F)C[C@H]1C 251565813 344857966 /nfs/dbraw/zinc/85/79/66/344857966.db2.gz BMZMOUKOLPLRBJ-PRJMDXOYSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@@H]1CC[C@](N)(C(F)(F)F)C[C@H]1C 251565801 344858085 /nfs/dbraw/zinc/85/80/85/344858085.db2.gz BMZMOUKOLPLRBJ-BWZBUEFSSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@@H]1C[NH2+][C@]2(CCCC[C@H]2C)SC1 251577641 344858366 /nfs/dbraw/zinc/85/83/66/344858366.db2.gz AXKFMXNVRHCFHX-GMTAPVOTSA-N 0 0 199.363 2.865 10 0 AFAERN C[C@@H]1C[NH2+][C@@]2(CCCC[C@H]2C)SC1 251577648 344858636 /nfs/dbraw/zinc/85/86/36/344858636.db2.gz AXKFMXNVRHCFHX-MXWKQRLJSA-N 0 0 199.363 2.865 10 0 AFAERN C[C@@H]1CC[C@@H](C(C)(C)O)C[C@H]1C 251593146 344859860 /nfs/dbraw/zinc/85/98/60/344859860.db2.gz CKKAAGQLTISGDO-OPRDCNLKSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CC[C@H](C(C)(C)O)C[C@H]1C 251593138 344860188 /nfs/dbraw/zinc/86/01/88/344860188.db2.gz CKKAAGQLTISGDO-BBBLOLIVSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@H]2CSCC2=O)C1 251608630 344860602 /nfs/dbraw/zinc/86/06/02/344860602.db2.gz CYJNERSMVIXSKT-OPRDCNLKSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1CCC[C@H]([C@H]2CSCC2=O)C1 251608625 344860806 /nfs/dbraw/zinc/86/08/06/344860806.db2.gz CYJNERSMVIXSKT-KXUCPTDWSA-N 0 0 198.331 2.745 10 0 AFAERN CC[C@H](C)C[C@@]1(O)CS[C@H](C)C1 251619963 344860988 /nfs/dbraw/zinc/86/09/88/344860988.db2.gz BHVQOCFEDZANDY-AEJSXWLSSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@H](C)C[C@]1(O)CS[C@H](C)C1 251619970 344861273 /nfs/dbraw/zinc/86/12/73/344861273.db2.gz BHVQOCFEDZANDY-IVZWLZJFSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@@H]1[C@H](O)C[C@H]1c1ccc(F)cc1 251620451 344862122 /nfs/dbraw/zinc/86/21/22/344862122.db2.gz LNBINUWMFQVFAE-SDDRHHMPSA-N 0 0 194.249 2.700 10 0 AFAERN C[C@H]1[C@H](C)CCC[C@@]1(O)C(F)(F)F 251655706 344863286 /nfs/dbraw/zinc/86/32/86/344863286.db2.gz FUYCOQNPALUCPD-CSMHCCOUSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H]1[C@H](C)CCC[C@]1(O)C(F)(F)F 251655711 344863741 /nfs/dbraw/zinc/86/37/41/344863741.db2.gz FUYCOQNPALUCPD-GJMOJQLCSA-N 0 0 196.212 2.736 10 0 AFAERN CC[C@@H]1CCC[C@]2(CC1)C[C@H]2CO 251666123 344864245 /nfs/dbraw/zinc/86/42/45/344864245.db2.gz HGUWLYIKUPZCSH-WOPDTQHZSA-N 0 0 182.307 2.975 10 0 AFAERN C[C@H]1[C@H](C)CCC[C@@]1(O)c1ccco1 251676540 344865164 /nfs/dbraw/zinc/86/51/64/344865164.db2.gz GQHQQLQSZNVIEI-SCVCMEIPSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@H]1[C@H](C)CCC[C@]1(O)c1ccco1 251676536 344865281 /nfs/dbraw/zinc/86/52/81/344865281.db2.gz GQHQQLQSZNVIEI-JFGNBEQYSA-N 0 0 194.274 2.923 10 0 AFAERN CC[C@H](C)[C@H](O)[C@H]1CCCCS1 251710882 344867697 /nfs/dbraw/zinc/86/76/97/344867697.db2.gz DHMAZPFOEWFUCJ-AEJSXWLSSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@@H]1C(=O)[C@@H]2CCCCC[C@H]12 251715641 344868040 /nfs/dbraw/zinc/86/80/40/344868040.db2.gz ROPHAVTVBAOACC-IVZWLZJFSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@H]1CCCCS1 251710884 344868045 /nfs/dbraw/zinc/86/80/45/344868045.db2.gz DHMAZPFOEWFUCJ-IVZWLZJFSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@@H]1[C@H](O)C[C@H]1c1ccc(C)cc1 251742539 344869943 /nfs/dbraw/zinc/86/99/43/344869943.db2.gz TZSSUHQYXYVQGB-RWMBFGLXSA-N 0 0 190.286 2.869 10 0 AFAERN CC(C)[C@]1(O)CC[C@@H](C)[C@H](C)C1 251755923 344870545 /nfs/dbraw/zinc/87/05/45/344870545.db2.gz JYFYISWAVZZGNP-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@@]1(O)CC[C@@H](C)[C@H](C)C1 251755916 344870643 /nfs/dbraw/zinc/87/06/43/344870643.db2.gz JYFYISWAVZZGNP-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](C)C[C@@H]1CC[C@@H](O)[C@H]1C 251769816 344871825 /nfs/dbraw/zinc/87/18/25/344871825.db2.gz IGIMCYOGAUDTBN-XWLWVQCSSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H](C(C)(C)O)C1 251771319 344871870 /nfs/dbraw/zinc/87/18/70/344871870.db2.gz FBHUFRVYXCXHLB-MYJAWHEDSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H](Nc2cn[nH]c2)C1 251771406 344872137 /nfs/dbraw/zinc/87/21/37/344872137.db2.gz FBYLZWPHIYDWOQ-MYJAWHEDSA-N 0 0 193.294 2.646 10 0 AFAERN CC[C@H](C)C[C@@H]1CC[C@H](O)[C@H]1C 251769814 344872156 /nfs/dbraw/zinc/87/21/56/344872156.db2.gz IGIMCYOGAUDTBN-NAKRPEOUSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1[C@@H](NCC(F)(F)F)CC[C@H]1C 251786389 344873265 /nfs/dbraw/zinc/87/32/65/344873265.db2.gz FSVXRAPFEDIBOJ-CSMHCCOUSA-N 0 0 195.228 2.573 10 0 AFAERN C[C@H]1[C@H](C)CC[C@H]1NCC(F)(F)F 251786392 344873305 /nfs/dbraw/zinc/87/33/05/344873305.db2.gz FSVXRAPFEDIBOJ-GJMOJQLCSA-N 0 0 195.228 2.573 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCCS[C@H]1C 251801222 344873978 /nfs/dbraw/zinc/87/39/78/344873978.db2.gz KNJYBHJOHRQXRV-GUBZILKMSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@H](C)[C@]1(O)CCCS[C@H]1C 251801224 344874041 /nfs/dbraw/zinc/87/40/41/344874041.db2.gz KNJYBHJOHRQXRV-LPEHRKFASA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@@H]1CCC[C@]2(C1)C[C@H]2CO 251844414 344876307 /nfs/dbraw/zinc/87/63/07/344876307.db2.gz RCZNAOMJUTWANR-VWYCJHECSA-N 0 0 168.280 2.585 10 0 AFAERN C[C@@H]1CC[C@@H](n2ccnc2)C[C@H]1C 251852422 344876314 /nfs/dbraw/zinc/87/63/14/344876314.db2.gz PCQMJCZZHHJVOB-GMTAPVOTSA-N 0 0 178.279 2.880 10 0 AFAERN C[C@@H]1CC[C@H](n2ccnc2)C[C@H]1C 251852424 344876563 /nfs/dbraw/zinc/87/65/63/344876563.db2.gz PCQMJCZZHHJVOB-MXWKQRLJSA-N 0 0 178.279 2.880 10 0 AFAERN CC[C@@H]1CCC[C@@]2(C1)C[C@H]2CO 251844413 344876739 /nfs/dbraw/zinc/87/67/39/344876739.db2.gz RCZNAOMJUTWANR-OUAUKWLOSA-N 0 0 168.280 2.585 10 0 AFAERN C[C@H](CO)C[C@H]1CCC[C@H](C)C1 251902190 344879337 /nfs/dbraw/zinc/87/93/37/344879337.db2.gz SPEXRACZSGHLPK-DCAQKATOSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@H](CO)C[C@@H]1CCC[C@H](C)C1 251902192 344879698 /nfs/dbraw/zinc/87/96/98/344879698.db2.gz SPEXRACZSGHLPK-GARJFASQSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@@H]1CC[C@](O)(C(F)(F)F)C[C@H]1C 251919133 344879862 /nfs/dbraw/zinc/87/98/62/344879862.db2.gz UNOXKSALOJTZPC-BWZBUEFSSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@@H]1CC[C@@](O)(C(F)(F)F)C[C@H]1C 251919136 344879922 /nfs/dbraw/zinc/87/99/22/344879922.db2.gz UNOXKSALOJTZPC-PRJMDXOYSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H](O)CC[C@H]1CCC[C@H](C)C1 251907881 344880061 /nfs/dbraw/zinc/88/00/61/344880061.db2.gz TUCGJWMCFMPTCY-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)CC[C@@H]1CCC[C@H](C)C1 251907878 344880080 /nfs/dbraw/zinc/88/00/80/344880080.db2.gz TUCGJWMCFMPTCY-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)C[C@H]1CCC[C@H]1O 251923788 344880654 /nfs/dbraw/zinc/88/06/54/344880654.db2.gz QJXIKCPFRSCCEF-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1[C@H](C)CCC[C@]1(N)C(F)(F)F 251920813 344880717 /nfs/dbraw/zinc/88/07/17/344880717.db2.gz UQEQWPGFCGOIES-GJMOJQLCSA-N 0 0 195.228 2.702 10 0 AFAERN CC[C@H](C)C[C@@H]1CCC[C@H]1O 251923789 344880738 /nfs/dbraw/zinc/88/07/38/344880738.db2.gz QJXIKCPFRSCCEF-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1[C@H](C)CCC[C@@]1(N)C(F)(F)F 251920812 344880872 /nfs/dbraw/zinc/88/08/72/344880872.db2.gz UQEQWPGFCGOIES-CSMHCCOUSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@@H]1CC[C@@H](CCCO)C[C@H]1C 251930403 344880958 /nfs/dbraw/zinc/88/09/58/344880958.db2.gz VHEVMUXEXIABJG-GMTAPVOTSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@@H]1CC[C@H](CCCO)C[C@H]1C 251930405 344880989 /nfs/dbraw/zinc/88/09/89/344880989.db2.gz VHEVMUXEXIABJG-MXWKQRLJSA-N 0 0 170.296 2.831 10 0 AFAERN Cc1nc(CSC(C)C)co1 258004299 344943873 /nfs/dbraw/zinc/94/38/73/344943873.db2.gz CFAUTKVUALBJRG-UHFFFAOYSA-N 0 0 171.265 2.625 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](C[C@H]2CCCO2)C1 252088455 344883887 /nfs/dbraw/zinc/88/38/87/344883887.db2.gz GUZBJTDUNGGOCW-GMTAPVOTSA-N 0 0 196.290 2.561 10 0 AFAERN CO[C@@H](C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 252094777 344884371 /nfs/dbraw/zinc/88/43/71/344884371.db2.gz HPTYZWIFRMTSLJ-ZRUFSTJUSA-N 0 0 198.306 2.663 10 0 AFAERN C[C@H]1[C@H](C)CC[C@H]1n1cnnc1Cl 252094524 344884471 /nfs/dbraw/zinc/88/44/71/344884471.db2.gz HPDNHDIPECHFRH-GJMOJQLCSA-N 0 0 199.685 2.539 10 0 AFAERN C[C@@H]1[C@@H](n2cnnc2Cl)CC[C@H]1C 252094522 344884593 /nfs/dbraw/zinc/88/45/93/344884593.db2.gz HPDNHDIPECHFRH-CSMHCCOUSA-N 0 0 199.685 2.539 10 0 AFAERN CO[C@H](C)C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 252094776 344884624 /nfs/dbraw/zinc/88/46/24/344884624.db2.gz HPTYZWIFRMTSLJ-YTWAJWBKSA-N 0 0 198.306 2.663 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H](OC2CC(=O)C2)C1 252109418 344885380 /nfs/dbraw/zinc/88/53/80/344885380.db2.gz JISMXPNRCSZIMB-JZYVYDRUSA-N 0 0 196.290 2.559 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H](SCCO)C1 252118265 344885835 /nfs/dbraw/zinc/88/58/35/344885835.db2.gz KMDCIZQWZQZXDG-MYJAWHEDSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@@H]1[C@@H](n2cccc2C=O)CC[C@H]1C 252115818 344885966 /nfs/dbraw/zinc/88/59/66/344885966.db2.gz KFBBGUYNBNBRNM-SCVCMEIPSA-N 0 0 191.274 2.908 10 0 AFAERN C[C@H]1[C@H](C)CC[C@H]1n1cccc1C=O 252115817 344885977 /nfs/dbraw/zinc/88/59/77/344885977.db2.gz KFBBGUYNBNBRNM-JFGNBEQYSA-N 0 0 191.274 2.908 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H](n2ccnc2)C1 252142002 344887951 /nfs/dbraw/zinc/88/79/51/344887951.db2.gz NITHGEAWJLYTPZ-URLYPYJESA-N 0 0 178.279 2.880 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@](O)(C(F)(F)F)C1 252148535 344888490 /nfs/dbraw/zinc/88/84/90/344888490.db2.gz OGRIYPKUWFZDPQ-RNLVFQAGSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@@H]1[C@@H](Nc2nccs2)CC[C@H]1C 252172410 344889321 /nfs/dbraw/zinc/88/93/21/344889321.db2.gz RJVFQGBYBVYJMU-VGMNWLOBSA-N 0 0 196.319 2.990 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H](n2cccn2)C1 252170227 344889348 /nfs/dbraw/zinc/88/93/48/344889348.db2.gz RBGAICDLLMSHBX-URLYPYJESA-N 0 0 178.279 2.880 10 0 AFAERN CC(C)[C@]1(O)C[C@@H](C)C[C@@H](C)C1 252174193 344889371 /nfs/dbraw/zinc/88/93/71/344889371.db2.gz RRSKNKAUVRYJJH-JGPRNRPPSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@](O)(C2CC2)C1 252174171 344889510 /nfs/dbraw/zinc/88/95/10/344889510.db2.gz RRLWZENGPILZMT-DOFRTFSJSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1[C@H](C)CC[C@H]1Nc1nccs1 252172409 344889713 /nfs/dbraw/zinc/88/97/13/344889713.db2.gz RJVFQGBYBVYJMU-HRDYMLBCSA-N 0 0 196.319 2.990 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@](O)(c2ccoc2)C1 252200308 344891448 /nfs/dbraw/zinc/89/14/48/344891448.db2.gz WDXBVNZQOWMNID-PEGIJTEDSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@H]1[C@H](C)CC[C@H]1n1cc[nH]c1=S 252207792 344891886 /nfs/dbraw/zinc/89/18/86/344891886.db2.gz XLVSVGGDTGFXKS-HRDYMLBCSA-N 0 0 196.319 2.779 10 0 AFAERN C[C@@H]1[C@@H](n2cc[nH]c2=S)CC[C@H]1C 252207793 344892210 /nfs/dbraw/zinc/89/22/10/344892210.db2.gz XLVSVGGDTGFXKS-VGMNWLOBSA-N 0 0 196.319 2.779 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@](N)(C(F)(F)F)C1 252211306 344892881 /nfs/dbraw/zinc/89/28/81/344892881.db2.gz YEQJCFWLOOASKJ-RNLVFQAGSA-N 0 0 195.228 2.702 10 0 AFAERN CC(C)[C@@]1(O)C[C@H](C)CC[C@H]1C 252215509 344893296 /nfs/dbraw/zinc/89/32/96/344893296.db2.gz ZCJPEEJNMLPVLP-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H](O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 252339058 344893733 /nfs/dbraw/zinc/89/37/33/344893733.db2.gz KEBJPGDSNHGJFB-QCNOEVLYSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H](O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252339059 344893834 /nfs/dbraw/zinc/89/38/34/344893834.db2.gz KEBJPGDSNHGJFB-YFKTTZPYSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H](O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 252339057 344894106 /nfs/dbraw/zinc/89/41/06/344894106.db2.gz KEBJPGDSNHGJFB-IRCOFANPSA-N 0 0 182.307 2.974 10 0 AFAERN C/C=C\C[C@@H]1CCCCC[C@H]1O 252449075 344897391 /nfs/dbraw/zinc/89/73/91/344897391.db2.gz LQNCZEFJMZPPLY-LVUHIJSRSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)CC[C@@H]1CC[C@@H](O)[C@H]1C 252469432 344899011 /nfs/dbraw/zinc/89/90/11/344899011.db2.gz SXWPBTQPDRPIKN-HBNTYKKESA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C(=O)[C@@H]2CCCCCC[C@H]12 252493284 344899786 /nfs/dbraw/zinc/89/97/86/344899786.db2.gz MRCKDPJJXAYKCU-IVZWLZJFSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)[C@H]1c1ccc(F)cc1 252492980 344899904 /nfs/dbraw/zinc/89/99/04/344899904.db2.gz DVZCLQRBIKWTAX-AKZRSSKFSA-N 0 0 192.233 2.764 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)[C@H]1c1cccs1 252493785 344900170 /nfs/dbraw/zinc/90/01/70/344900170.db2.gz XPOHUAPTVBLYNW-SRSLHRDFSA-N 0 0 180.272 2.687 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H](C2(O)CCC2)C1 252544026 344901140 /nfs/dbraw/zinc/90/11/40/344901140.db2.gz HQMYBLQQMHSLTE-URLYPYJESA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1CC[C@H](Nn2cccc2)C[C@H]1C 252561732 344901647 /nfs/dbraw/zinc/90/16/47/344901647.db2.gz WNDZRUOOYQDAJF-UTUOFQBUSA-N 0 0 192.306 2.856 10 0 AFAERN C[C@@H]1CC[C@@H](Nn2cccc2)C[C@H]1C 252561731 344901895 /nfs/dbraw/zinc/90/18/95/344901895.db2.gz WNDZRUOOYQDAJF-IJLUTSLNSA-N 0 0 192.306 2.856 10 0 AFAERN CCC[C@@H](C)[C@]1(O)[C@H]2CCCC[C@H]21 252571067 344902246 /nfs/dbraw/zinc/90/22/46/344902246.db2.gz ATVHLVMVKCZPHX-WISYIIOYSA-N 0 0 182.307 2.974 10 0 AFAERN CCC[C@H](C)[C@]1(O)[C@H]2CCCC[C@H]21 252571069 344902259 /nfs/dbraw/zinc/90/22/59/344902259.db2.gz ATVHLVMVKCZPHX-YFKTTZPYSA-N 0 0 182.307 2.974 10 0 AFAERN CCC(CC)[C@]1(O)[C@H]2CCCC[C@H]21 252571636 344902308 /nfs/dbraw/zinc/90/23/08/344902308.db2.gz BOZMIVQMBJHXDQ-ZSBIGDGJSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccccc1[C@]1(O)[C@H]2CCC[C@H]21 252575051 344902310 /nfs/dbraw/zinc/90/23/10/344902310.db2.gz GRFWFXWYBPDMBG-CLLJXQQHSA-N 0 0 188.270 2.613 10 0 AFAERN CCCC[C@]1(O)[C@H]2CCCC[C@H]21 252574220 344902335 /nfs/dbraw/zinc/90/23/35/344902335.db2.gz FVEPBMDNGGIFPD-JGPRNRPPSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)[C@@H](C)[C@]1(O)[C@H]2CCCC[C@H]21 252577779 344902629 /nfs/dbraw/zinc/90/26/29/344902629.db2.gz JPWGTURVJJGVDU-WISYIIOYSA-N 0 0 182.307 2.830 10 0 AFAERN Cc1ccc([C@]2(O)[C@H]3CCC[C@H]32)s1 252576243 344902632 /nfs/dbraw/zinc/90/26/32/344902632.db2.gz HYFGCHMTRJLMRZ-DOFRTFSJSA-N 0 0 194.299 2.674 10 0 AFAERN CC(C)C[C@]1(O)[C@H]2CCCC[C@H]21 252579619 344902663 /nfs/dbraw/zinc/90/26/63/344902663.db2.gz OEJPWMCBHDWMCO-JGPRNRPPSA-N 0 0 168.280 2.584 10 0 AFAERN CC(C)[C@H](O)[C@H]1CCCC[C@H]1C 252577895 344902672 /nfs/dbraw/zinc/90/26/72/344902672.db2.gz JWDZEOGOIXLMMG-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](C)[C@]1(O)[C@H]2CCCC[C@H]21 252577780 344902775 /nfs/dbraw/zinc/90/27/75/344902775.db2.gz JPWGTURVJJGVDU-YFKTTZPYSA-N 0 0 182.307 2.830 10 0 AFAERN CC(C)CC[C@]1(O)[C@H]2CCC[C@H]21 252579620 344902780 /nfs/dbraw/zinc/90/27/80/344902780.db2.gz OEQHIQWUAYCTTQ-JGPRNRPPSA-N 0 0 168.280 2.584 10 0 AFAERN CCC(C)(C)[C@]1(O)[C@H]2CCC[C@H]21 252579510 344902793 /nfs/dbraw/zinc/90/27/93/344902793.db2.gz NYFKGERCKCTOJY-DOFRTFSJSA-N 0 0 168.280 2.584 10 0 AFAERN CC(C)[C@H](O)[C@@H]1CCCC[C@H]1C 252577894 344902806 /nfs/dbraw/zinc/90/28/06/344902806.db2.gz JWDZEOGOIXLMMG-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)(C)[C@]1(O)[C@H]2CCCC[C@H]21 252580546 344903166 /nfs/dbraw/zinc/90/31/66/344903166.db2.gz QLVACPDBOSWKOJ-DOFRTFSJSA-N 0 0 168.280 2.584 10 0 AFAERN CC(C)CC[C@]1(O)[C@H]2CCCC[C@H]21 252580077 344903213 /nfs/dbraw/zinc/90/32/13/344903213.db2.gz PKEIQTIAUMFZDO-ZSBIGDGJSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@H](C(C)=O)[C@@H]1CCCCC[C@H]1O 252591289 344903733 /nfs/dbraw/zinc/90/37/33/344903733.db2.gz DMBVHTSZGYLSBM-GRYCIOLGSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@@H]1CCC[C@H](C[C@H](C)O)C1 252587716 344903762 /nfs/dbraw/zinc/90/37/62/344903762.db2.gz AARGDXNGCXFJJO-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1CCC[C@@H](C[C@H](C)O)C1 252587715 344903835 /nfs/dbraw/zinc/90/38/35/344903835.db2.gz AARGDXNGCXFJJO-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C(C)=O)[C@H]1CCCCC[C@H]1O 252591290 344903874 /nfs/dbraw/zinc/90/38/74/344903874.db2.gz DMBVHTSZGYLSBM-IJLUTSLNSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](C)[C@H]1CCCCC[C@H]1O 252600565 344903965 /nfs/dbraw/zinc/90/39/65/344903965.db2.gz LRWIVTQLGGEPHM-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@@H]1CCCCC[C@H]1O 252600563 344904019 /nfs/dbraw/zinc/90/40/19/344904019.db2.gz LRWIVTQLGGEPHM-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(=O)[C@H](C)[C@H]1CCCCC[C@H]1O 252605930 344904856 /nfs/dbraw/zinc/90/48/56/344904856.db2.gz QBJJZCYGSXEKRM-CKYFFXLPSA-N 0 0 198.306 2.543 10 0 AFAERN CCC(=O)[C@H](C)[C@@H]1CCCCC[C@H]1O 252605931 344905014 /nfs/dbraw/zinc/90/50/14/344905014.db2.gz QBJJZCYGSXEKRM-JFGNBEQYSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCC[C@H]1C 252619377 344905161 /nfs/dbraw/zinc/90/51/61/344905161.db2.gz UDARBIRQHGEPNY-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)[C@@H]1CCC(=O)[C@H]1C 252618989 344905224 /nfs/dbraw/zinc/90/52/24/344905224.db2.gz OQAIHQPDFGNPNX-CIUDSAMLSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](C)[C@H]1CCC(=O)[C@H]1C 252618990 344905507 /nfs/dbraw/zinc/90/55/07/344905507.db2.gz OQAIHQPDFGNPNX-XHNCKOQMSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(C)C(=O)[C@@H]1[C@H]2CCC[C@H]21 252703097 344909684 /nfs/dbraw/zinc/90/96/84/344909684.db2.gz GLPOOGXRWRLERB-BRPSZJMVSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H]1CC[C@H](Nc2ncns2)CC1 252725591 344910185 /nfs/dbraw/zinc/91/01/85/344910185.db2.gz UJVXIPXITUQETO-ZKCHVHJHSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1C[C@@H]2[C@H](O)C[C@H]2c2ccccc21 252722754 344910189 /nfs/dbraw/zinc/91/01/89/344910189.db2.gz ROZGLRYOEOFMRL-ZJNJWXDTSA-N 0 0 188.270 2.658 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H](C(=O)C(F)F)C1 252739359 344911113 /nfs/dbraw/zinc/91/11/13/344911113.db2.gz GZUDMXQEVQPHKL-JIGDXULJSA-N 0 0 190.233 2.893 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)C(F)F)C[C@H]1C 252742943 344911789 /nfs/dbraw/zinc/91/17/89/344911789.db2.gz OFLIQSZLVXAVSC-PRJMDXOYSA-N 0 0 190.233 2.893 10 0 AFAERN Nc1nc([C@@H]2[C@H]3CCCC[C@H]32)cs1 252740252 344911863 /nfs/dbraw/zinc/91/18/63/344911863.db2.gz IWCJKZSZBQHXKT-QMSLJYSESA-N 0 0 194.303 2.629 10 0 AFAERN Clc1noc([C@@H]2[C@H]3CCCC[C@H]32)n1 252744100 344911890 /nfs/dbraw/zinc/91/18/90/344911890.db2.gz RCOMGEIKLSHCJZ-ZMONIFLSSA-N 0 0 198.653 2.627 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)C(F)F)C[C@H]1C 252742942 344911950 /nfs/dbraw/zinc/91/19/50/344911950.db2.gz OFLIQSZLVXAVSC-BWZBUEFSSA-N 0 0 190.233 2.893 10 0 AFAERN CC[C@@H]1CC/C(=C/[C@H](C)O)C1 252759780 344912315 /nfs/dbraw/zinc/91/23/15/344912315.db2.gz CUHUIBKRIMMQBV-PURWQICVSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H]([C@@H](O)C(F)F)C1 252775695 344913093 /nfs/dbraw/zinc/91/30/93/344913093.db2.gz OTKZRPHETLBKDA-RYPBNFRJSA-N 0 0 192.249 2.685 10 0 AFAERN C[C@H](O)C=C1C[C@@H](C)C[C@H](C)C1 252766412 344913191 /nfs/dbraw/zinc/91/31/91/344913191.db2.gz GFAZWQFEZLLWLL-GUBZILKMSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H]([C@H](O)C(F)F)C1 252775694 344913253 /nfs/dbraw/zinc/91/32/53/344913253.db2.gz OTKZRPHETLBKDA-KDXUFGMBSA-N 0 0 192.249 2.685 10 0 AFAERN C[C@H](O)/C=C1/CC[C@H](C)[C@H](C)C1 252774325 344913417 /nfs/dbraw/zinc/91/34/17/344913417.db2.gz JRFKUIPBCYWTST-RCIRIPLKSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)[C@H]1c1ccccc1F 252783223 344913753 /nfs/dbraw/zinc/91/37/53/344913753.db2.gz SNUXXHMHWRRODN-AKZRSSKFSA-N 0 0 192.233 2.764 10 0 AFAERN C[C@H]1[C@H](c2ccccc2F)[C@@H](C)[C@@H]1O 252788752 344914068 /nfs/dbraw/zinc/91/40/68/344914068.db2.gz XGDUEXNFVCGLKE-ZTCHHREXSA-N 0 0 194.249 2.556 10 0 AFAERN O=C(C1CCC1)[C@@H]1[C@H]2CCCC[C@H]21 252898866 344918359 /nfs/dbraw/zinc/91/83/59/344918359.db2.gz GNAVMGVIQNHNHG-URLYPYJESA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)[C@H](NN)[C@@H]1CC[C@H](C)[C@H](C)C1 252998653 344924345 /nfs/dbraw/zinc/92/43/45/344924345.db2.gz OHXGRYWJFFRGLA-QCNOEVLYSA-N 0 0 198.354 2.547 10 0 AFAERN CC(C)[C@H](NN)[C@@H]1CC[C@@H](C)[C@H](C)C1 252998652 344924353 /nfs/dbraw/zinc/92/43/53/344924353.db2.gz OHXGRYWJFFRGLA-KKOKHZNYSA-N 0 0 198.354 2.547 10 0 AFAERN CC(C)[C@H](NN)[C@@H]1CC[C@H](C)[C@@H](C)C1 252998654 344924436 /nfs/dbraw/zinc/92/44/36/344924436.db2.gz OHXGRYWJFFRGLA-YFKTTZPYSA-N 0 0 198.354 2.547 10 0 AFAERN Clc1nnc([C@@H]2[C@H]3CCCC[C@H]32)o1 253124247 344927565 /nfs/dbraw/zinc/92/75/65/344927565.db2.gz KMJZDFMGAQBUKT-ZMONIFLSSA-N 0 0 198.653 2.627 10 0 AFAERN C[C@H]1CC[C@H](n2cnnc2Cl)CC1 253116745 344927734 /nfs/dbraw/zinc/92/77/34/344927734.db2.gz GFPWHUXQWJVHAT-ZKCHVHJHSA-N 0 0 199.685 2.683 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@](O)(CC2CC2)C1 253123903 344927903 /nfs/dbraw/zinc/92/79/03/344927903.db2.gz OZWDVJPSOXMPFW-PEGIJTEDSA-N 0 0 182.307 2.974 10 0 AFAERN O=C(c1ccoc1)[C@@H]1[C@H]2CCC[C@H]21 253180382 344929595 /nfs/dbraw/zinc/92/95/95/344929595.db2.gz DLMINJXHXPAJJF-MYJAWHEDSA-N 0 0 176.215 2.508 10 0 AFAERN O=C(C1CCCC1)[C@@H]1[C@H]2CCC[C@H]21 253178890 344929858 /nfs/dbraw/zinc/92/98/58/344929858.db2.gz CICDRVHGEHTUSP-URLYPYJESA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 253177728 344929875 /nfs/dbraw/zinc/92/98/75/344929875.db2.gz BGJPVYOVUVBMCJ-MYJAWHEDSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CCC[C@H]1[C@H](O)C(C)(C)C 253187353 344930110 /nfs/dbraw/zinc/93/01/10/344930110.db2.gz UROJQEUMIOGILI-BBBLOLIVSA-N 0 0 170.296 2.830 10 0 AFAERN O=C(CC1CCC1)[C@H]1C[C@@H]2C[C@@H]2C1 253185277 344930138 /nfs/dbraw/zinc/93/01/38/344930138.db2.gz HXYQSJDYYCSXTE-JGPRNRPPSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)C[C@H](O)[C@@H]1CCC[C@H]1C 253184374 344930148 /nfs/dbraw/zinc/93/01/48/344930148.db2.gz NNPNWABDXDPPTB-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN O=C(c1ccsc1)[C@H]1C[C@@H]2C[C@@H]2C1 253186262 344930353 /nfs/dbraw/zinc/93/03/53/344930353.db2.gz IOJDVURQFFEFRW-ILWJIGKKSA-N 0 0 192.283 2.977 10 0 AFAERN C[C@@H]1CCC[C@@H]1[C@H](O)C(C)(C)C 253187356 344930357 /nfs/dbraw/zinc/93/03/57/344930357.db2.gz UROJQEUMIOGILI-UTLUCORTSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)C[C@H](O)[C@H]1CCC[C@H]1C 253184376 344930424 /nfs/dbraw/zinc/93/04/24/344930424.db2.gz NNPNWABDXDPPTB-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN O=C(c1ccoc1)[C@H]1C[C@@H]2C[C@@H]2C1 253195160 344930781 /nfs/dbraw/zinc/93/07/81/344930781.db2.gz RCUJFQHSPQYWJS-ILWJIGKKSA-N 0 0 176.215 2.508 10 0 AFAERN CC(C)CC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 253190399 344930813 /nfs/dbraw/zinc/93/08/13/344930813.db2.gz LBPAUFIFKZXQQM-WDCWCFNPSA-N 0 0 198.306 2.661 10 0 AFAERN O=C(c1ccsc1)[C@@H]1[C@H]2CCC[C@H]21 253193659 344930825 /nfs/dbraw/zinc/93/08/25/344930825.db2.gz OWEKCKRTJAVENI-MYJAWHEDSA-N 0 0 192.283 2.977 10 0 AFAERN CC(C)CC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 253190397 344930827 /nfs/dbraw/zinc/93/08/27/344930827.db2.gz LBPAUFIFKZXQQM-SVDPJWKOSA-N 0 0 198.306 2.661 10 0 AFAERN CC(C)CC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 253190401 344930953 /nfs/dbraw/zinc/93/09/53/344930953.db2.gz LBPAUFIFKZXQQM-WYFGTUCQSA-N 0 0 198.306 2.661 10 0 AFAERN CC[C@H](C)C[C@]1(O)[C@H]2CCC[C@H]21 253200440 344931411 /nfs/dbraw/zinc/93/14/11/344931411.db2.gz BYHLRRPYZCGNSC-MMWGEVLESA-N 0 0 168.280 2.584 10 0 AFAERN O=C(C1CCCC1)[C@H]1C[C@@H]2C[C@@H]2C1 253201629 344931492 /nfs/dbraw/zinc/93/14/92/344931492.db2.gz YDHKNHLBQXKOLZ-JGPRNRPPSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)(C)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1 253202367 344931522 /nfs/dbraw/zinc/93/15/22/344931522.db2.gz YVACYUBOAOEPEK-AYMMMOKOSA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@@H](C)C[C@]1(O)[C@H]2CCC[C@H]21 253200439 344931597 /nfs/dbraw/zinc/93/15/97/344931597.db2.gz BYHLRRPYZCGNSC-CHWFTXMASA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1C[C@@H]2CCC[C@@H]2C1 256171091 344940977 /nfs/dbraw/zinc/94/09/77/344940977.db2.gz OWJYQLKKWIHHLI-PSVAKVPMSA-N 0 0 124.227 2.833 10 0 AFAERN CCCCC[C@@H]1[C@H](C)[C@H]1C(=O)OC 257352687 344941378 /nfs/dbraw/zinc/94/13/78/344941378.db2.gz MRIZSGWNAGLBNF-IVZWLZJFSA-N 0 0 184.279 2.622 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)[C@]1(C)C[C@H]1C 257354487 344941798 /nfs/dbraw/zinc/94/17/98/344941798.db2.gz YCIGVALQYWWMLE-OYBPUVFXSA-N 0 0 166.264 2.648 10 0 AFAERN ON=Cc1c[nH]c2c(Cl)cccc12 257354740 344941852 /nfs/dbraw/zinc/94/18/52/344941852.db2.gz ZNWJZLYDASQYSZ-UHFFFAOYSA-N 0 0 194.621 2.629 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)[C@@]1(C)C[C@H]1C 257354486 344942002 /nfs/dbraw/zinc/94/20/02/344942002.db2.gz YCIGVALQYWWMLE-HZQMYPQZSA-N 0 0 166.264 2.648 10 0 AFAERN CCCC[C@@H]1OC(=O)[C@@H]2CCCC[C@H]12 257550527 344942544 /nfs/dbraw/zinc/94/25/44/344942544.db2.gz TZRMFZSOOVBPPN-AXFHLTTASA-N 0 0 196.290 2.908 10 0 endogenous,in-man AFAERN CCn1ccnc1CSC(C)C 257872073 344942932 /nfs/dbraw/zinc/94/29/32/344942932.db2.gz IGYAUGFOTVJUFL-UHFFFAOYSA-N 0 0 184.308 2.545 10 0 AFAERN CCSCc1nccn1C(C)C 257848499 344943380 /nfs/dbraw/zinc/94/33/80/344943380.db2.gz AYYKMXZPLZJHCQ-UHFFFAOYSA-N 0 0 184.308 2.717 10 0 AFAERN C[C@@H](O)c1cc(F)cc2ccoc12 258006202 344943886 /nfs/dbraw/zinc/94/38/86/344943886.db2.gz MKXQWWMTRNFTJB-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN CC(C)SCc1cncs1 258104018 344943896 /nfs/dbraw/zinc/94/38/96/344943896.db2.gz IQWNVYZQZAIERO-UHFFFAOYSA-N 0 0 173.306 2.785 10 0 AFAERN COC(=O)C/C=C\c1ccc(C)cc1 258321926 344944095 /nfs/dbraw/zinc/94/40/95/344944095.db2.gz WGECJKFADBOHLY-ARJAWSKDSA-N 0 0 190.242 2.571 10 0 AFAERN Clc1nccn1-c1ccccc1 259642425 344950202 /nfs/dbraw/zinc/95/02/02/344950202.db2.gz GRWMHACSUTUSHJ-UHFFFAOYSA-N 0 0 178.622 2.526 10 0 AFAERN Oc1cc(CC(F)(F)F)ccc1F 259881975 344951519 /nfs/dbraw/zinc/95/15/19/344951519.db2.gz YLEQSFXJBJBQQW-UHFFFAOYSA-N 0 0 194.127 2.636 10 0 AFAERN CCOC(=O)[C@H]1CCCC2(CC2)C1 260341768 344952924 /nfs/dbraw/zinc/95/29/24/344952924.db2.gz GJSCMIAONSSXTH-VIFPVBQESA-N 0 0 182.263 2.520 10 0 AFAERN COC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 260376044 344953012 /nfs/dbraw/zinc/95/30/12/344953012.db2.gz CNEHSGHOTFXTAZ-HBNTYKKESA-N 0 0 196.290 2.766 10 0 AFAERN COC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 260376038 344953067 /nfs/dbraw/zinc/95/30/67/344953067.db2.gz CNEHSGHOTFXTAZ-GMTAPVOTSA-N 0 0 196.290 2.766 10 0 AFAERN CC[C@H](CC(=O)OC)C(C)(C)C 260529048 344953373 /nfs/dbraw/zinc/95/33/73/344953373.db2.gz RNNAXJZBXOYFES-MRVPVSSYSA-N 0 0 172.268 2.622 10 0 AFAERN CCOC(=O)CC(C)(C)C(F)(F)F 260760380 344953501 /nfs/dbraw/zinc/95/35/01/344953501.db2.gz YFIOJPYPBSCULG-UHFFFAOYSA-N 0 0 198.184 2.528 10 0 AFAERN CC[C@@H](CC(=O)OC)C(C)(C)C 260529059 344953606 /nfs/dbraw/zinc/95/36/06/344953606.db2.gz RNNAXJZBXOYFES-QMMMGPOBSA-N 0 0 172.268 2.622 10 0 AFAERN CCOC(=O)C1CC2(CCCCC2)C1 260989969 344954484 /nfs/dbraw/zinc/95/44/84/344954484.db2.gz PWEKISWFERZBQQ-UHFFFAOYSA-N 0 0 196.290 2.910 10 0 AFAERN COC(=O)C1CC2(CCCCC2)C1 261027567 344954641 /nfs/dbraw/zinc/95/46/41/344954641.db2.gz ZIEVRFNNDBOSTK-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CCCCOCOCc1ccccc1 261492480 344956469 /nfs/dbraw/zinc/95/64/69/344956469.db2.gz YVYRJDCFHZPHHN-UHFFFAOYSA-N 0 0 194.274 2.977 10 0 AFAERN CC[C@H](O)[C@@H]1CC(C)=C[C@H](C)C1 300012201 344962652 /nfs/dbraw/zinc/96/26/52/344962652.db2.gz OIBNMTQWYBKFGF-LSJOCFKGSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@H](O)[C@H]1CC(C)=C[C@H](C)C1 300012200 344962824 /nfs/dbraw/zinc/96/28/24/344962824.db2.gz OIBNMTQWYBKFGF-GDPRMGEGSA-N 0 0 168.280 2.750 10 0 AFAERN Cc1cc([C@H](O)C2CCCC2)ccn1 300059925 344969107 /nfs/dbraw/zinc/96/91/07/344969107.db2.gz BGRWJCAVOLBJSZ-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)[C@H]1CC1(C)C 300210457 344970572 /nfs/dbraw/zinc/97/05/72/344970572.db2.gz KYAZFZUYYFIGEC-YWVKMMECSA-N 0 0 168.280 2.584 10 0 AFAERN CCC[C@@H]1C[C@]1(O)[C@H]1CC1(C)C 300210456 344970727 /nfs/dbraw/zinc/97/07/27/344970727.db2.gz KYAZFZUYYFIGEC-WCABBAIRSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)[C@H]1CCCS1 300231665 344972228 /nfs/dbraw/zinc/97/22/28/344972228.db2.gz DIGSZOPELHUZGK-OPRDCNLKSA-N 0 0 198.331 2.887 10 0 AFAERN CC(C)[C@@H]1CCC[C@@]2(C1)C[C@H]2CO 300235471 344972370 /nfs/dbraw/zinc/97/23/70/344972370.db2.gz AVGQHLWXVIAVSH-GRYCIOLGSA-N 0 0 182.307 2.831 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)[C@H]1CCCS1 300231664 344972373 /nfs/dbraw/zinc/97/23/73/344972373.db2.gz DIGSZOPELHUZGK-KXUCPTDWSA-N 0 0 198.331 2.887 10 0 AFAERN CC(C)[C@@H]1CCC[C@]2(C1)C[C@H]2CO 300235473 344972396 /nfs/dbraw/zinc/97/23/96/344972396.db2.gz AVGQHLWXVIAVSH-WOPDTQHZSA-N 0 0 182.307 2.831 10 0 AFAERN CC(C)[C@H](C)S[C@H]1CCC[C@H]1O 300337951 344974208 /nfs/dbraw/zinc/97/42/08/344974208.db2.gz PMBBZHZUPUXFPX-AEJSXWLSSA-N 0 0 188.336 2.678 10 0 AFAERN CC(C)[C@H](C)S[C@H](C)[C@H](C)O 300335944 344974295 /nfs/dbraw/zinc/97/42/95/344974295.db2.gz GJSUZLFXFKWLTC-XHNCKOQMSA-N 0 0 176.325 2.533 10 0 AFAERN CC(C)[C@H](C)S[C@@H](C)[C@H](C)O 300335943 344974316 /nfs/dbraw/zinc/97/43/16/344974316.db2.gz GJSUZLFXFKWLTC-CIUDSAMLSA-N 0 0 176.325 2.533 10 0 AFAERN CCC[C@H](C)[C@@H]1CC[C@H](O)C1 300350939 344974631 /nfs/dbraw/zinc/97/46/31/344974631.db2.gz ZAYPPRQOVVFSOU-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@H](C)[C@@H]1CC[C@@H](O)[C@H]1C 300345469 344974690 /nfs/dbraw/zinc/97/46/90/344974690.db2.gz GESDMZMHWPOEPC-XWLWVQCSSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@H](C)[C@@H]1CC[C@H](O)[C@@H]1C 300345468 344974778 /nfs/dbraw/zinc/97/47/78/344974778.db2.gz GESDMZMHWPOEPC-VLEAKVRGSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@H](C)[C@H]1CC[C@H](O)C1 300350940 344974876 /nfs/dbraw/zinc/97/48/76/344974876.db2.gz ZAYPPRQOVVFSOU-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@H](C)[C@@H]1CC[C@H](O)[C@H]1C 300345467 344975018 /nfs/dbraw/zinc/97/50/18/344975018.db2.gz GESDMZMHWPOEPC-NAKRPEOUSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@@H]1C[C@@H]1n1c(C)c[nH]c1=S 300379351 344979718 /nfs/dbraw/zinc/97/97/18/344979718.db2.gz HEMLYXLJIHGZDC-BDAKNGLRSA-N 0 0 196.319 2.841 10 0 AFAERN CCC[C@@H]1C[C@@H]1n1cc[nH]c1=S 300383660 344979988 /nfs/dbraw/zinc/97/99/88/344979988.db2.gz LNEMPFWAPROXGH-SFYZADRCSA-N 0 0 182.292 2.533 10 0 AFAERN CC[C@@H]1OCC[C@H]1C(=O)C1CCCC1 300387044 344980872 /nfs/dbraw/zinc/98/08/72/344980872.db2.gz RXMIAQZFFIEEEV-MNOVXSKESA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@H](C)c1ncc(N)c(C(C)C)n1 300733553 344985012 /nfs/dbraw/zinc/98/50/12/344985012.db2.gz JXBAUDZLIASRHZ-QMMMGPOBSA-N 0 0 193.294 2.696 10 0 AFAERN CC[C@@H](C)c1ncc(N)c(C(C)C)n1 300733551 344985064 /nfs/dbraw/zinc/98/50/64/344985064.db2.gz JXBAUDZLIASRHZ-MRVPVSSYSA-N 0 0 193.294 2.696 10 0 AFAERN CC(C)=CC(=O)N1CCCCC[C@H]1C 300743873 344985720 /nfs/dbraw/zinc/98/57/20/344985720.db2.gz HZTXBZOTGRZZAG-LLVKDONJSA-N 0 0 195.306 2.744 10 0 AFAERN CC(C)=CC(=O)N1CCCCC[C@@H]1C 300743874 344985973 /nfs/dbraw/zinc/98/59/73/344985973.db2.gz HZTXBZOTGRZZAG-NSHDSACASA-N 0 0 195.306 2.744 10 0 AFAERN CC(C)=CC(=O)N1CC[C@@H](C)C[C@@H]1C 300743926 344986201 /nfs/dbraw/zinc/98/62/01/344986201.db2.gz JVGWSLQGPBJDSF-MNOVXSKESA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)=CC(=O)N1CC[C@H](C)C[C@@H]1C 300743927 344986327 /nfs/dbraw/zinc/98/63/27/344986327.db2.gz JVGWSLQGPBJDSF-QWRGUYRKSA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)=CC(=O)N1CC[C@H](C)C[C@H]1C 300743928 344986352 /nfs/dbraw/zinc/98/63/52/344986352.db2.gz JVGWSLQGPBJDSF-WDEREUQCSA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)=CC(=O)NCC1CCCCC1 300747743 344987447 /nfs/dbraw/zinc/98/74/47/344987447.db2.gz DMYXORUNCRFNFH-UHFFFAOYSA-N 0 0 195.306 2.649 10 0 AFAERN COC(C)(C)c1csc(Cl)n1 300750338 344988070 /nfs/dbraw/zinc/98/80/70/344988070.db2.gz GHYFOTBWGKATID-UHFFFAOYSA-N 0 0 191.683 2.678 10 0 AFAERN CC1(C)CCNc2ccsc21 300749211 344988183 /nfs/dbraw/zinc/98/81/83/344988183.db2.gz FNYUFUATXNVWNE-UHFFFAOYSA-N 0 0 167.277 2.841 10 0 AFAERN Cc1ccnn1CCC1CCCC1 300751163 344988445 /nfs/dbraw/zinc/98/84/45/344988445.db2.gz LERAJVLCYZWIAD-UHFFFAOYSA-N 0 0 178.279 2.772 10 0 AFAERN C[C@@H](O)C[C@H]1CCCC(F)(F)C1 300751748 344988537 /nfs/dbraw/zinc/98/85/37/344988537.db2.gz HHOVQIMNYFNTPV-HTQZYQBOSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@@H](O)C[C@@H]1CCCC(F)(F)C1 300751750 344988573 /nfs/dbraw/zinc/98/85/73/344988573.db2.gz HHOVQIMNYFNTPV-SFYZADRCSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@H](O)C[C@H]1CCCC(F)(F)C1 300751749 344988643 /nfs/dbraw/zinc/98/86/43/344988643.db2.gz HHOVQIMNYFNTPV-JGVFFNPUSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@H](O)C[C@@H]1CCCC(F)(F)C1 300751751 344988672 /nfs/dbraw/zinc/98/86/72/344988672.db2.gz HHOVQIMNYFNTPV-YUMQZZPRSA-N 0 0 178.222 2.583 10 0 AFAERN CCC(=O)[C@@H]1CCCC(F)(F)C1 300755337 344989498 /nfs/dbraw/zinc/98/94/98/344989498.db2.gz JNRLHFTUAWFXOS-SSDOTTSWSA-N 0 0 176.206 2.791 10 0 AFAERN CCC(=O)[C@H]1CCCC(F)(F)C1 300755338 344989699 /nfs/dbraw/zinc/98/96/99/344989699.db2.gz JNRLHFTUAWFXOS-ZETCQYMHSA-N 0 0 176.206 2.791 10 0 AFAERN COc1cc(F)cc(NCC2CC2)c1 300757036 344990021 /nfs/dbraw/zinc/99/00/21/344990021.db2.gz DAJJAOYLMYNAQF-UHFFFAOYSA-N 0 0 195.237 2.656 10 0 AFAERN CC[C@@H](O)C[C@@H]1CCC(F)(F)C1 300758363 344990470 /nfs/dbraw/zinc/99/04/70/344990470.db2.gz LDNLYGJTQPHUJN-JGVFFNPUSA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@H](O)C[C@H]1CCC(F)(F)C1 300758366 344990570 /nfs/dbraw/zinc/99/05/70/344990570.db2.gz LDNLYGJTQPHUJN-SFYZADRCSA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@H](O)C[C@@H]1CCC(F)(F)C1 300758368 344990610 /nfs/dbraw/zinc/99/06/10/344990610.db2.gz LDNLYGJTQPHUJN-YUMQZZPRSA-N 0 0 178.222 2.583 10 0 AFAERN [NH3+][C@@H](C(F)F)C1CCCCCCC1 300759284 344990724 /nfs/dbraw/zinc/99/07/24/344990724.db2.gz HGMRMDUTKGYEDE-SECBINFHSA-N 0 0 191.265 2.939 10 0 AFAERN CC[C@@H](O)C[C@H]1CCC(F)(F)C1 300758360 344990738 /nfs/dbraw/zinc/99/07/38/344990738.db2.gz LDNLYGJTQPHUJN-HTQZYQBOSA-N 0 0 178.222 2.583 10 0 AFAERN [NH3+][C@H](C(F)F)C1CCCCCCC1 300759290 344990805 /nfs/dbraw/zinc/99/08/05/344990805.db2.gz HGMRMDUTKGYEDE-VIFPVBQESA-N 0 0 191.265 2.939 10 0 AFAERN CCC[C@@H](O)[C@H]1CCC(F)(F)C1 300760287 344991118 /nfs/dbraw/zinc/99/11/18/344991118.db2.gz MAKJHVXRMQNAOC-JGVFFNPUSA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@@H](O)[C@@H]1CCCC(F)(F)C1 300760141 344991150 /nfs/dbraw/zinc/99/11/50/344991150.db2.gz LXTZRLRCHFRMPG-HTQZYQBOSA-N 0 0 178.222 2.583 10 0 AFAERN c1cc2c(cc1NCC1CC1)COC2 300759652 344991257 /nfs/dbraw/zinc/99/12/57/344991257.db2.gz IHNAXILOHJZGLU-UHFFFAOYSA-N 0 0 189.258 2.539 10 0 AFAERN CCC[C@@H](O)[C@@H]1CCC(F)(F)C1 300760284 344991352 /nfs/dbraw/zinc/99/13/52/344991352.db2.gz MAKJHVXRMQNAOC-HTQZYQBOSA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@@H](O)[C@H]1CCCC(F)(F)C1 300760144 344991355 /nfs/dbraw/zinc/99/13/55/344991355.db2.gz LXTZRLRCHFRMPG-JGVFFNPUSA-N 0 0 178.222 2.583 10 0 AFAERN Fc1cncc(NC2CCCC2)c1 300762099 344991939 /nfs/dbraw/zinc/99/19/39/344991939.db2.gz MAUHQNIAUOOVMO-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN CC[C@](C)(O)c1ccc2c(c1)CCC2 300762742 344992009 /nfs/dbraw/zinc/99/20/09/344992009.db2.gz NZCSGRYEELBPRS-ZDUSSCGKSA-N 0 0 190.286 2.793 10 0 AFAERN CC[C@@](C)(O)c1ccc2c(c1)CCC2 300762741 344992059 /nfs/dbraw/zinc/99/20/59/344992059.db2.gz NZCSGRYEELBPRS-CYBMUJFWSA-N 0 0 190.286 2.793 10 0 AFAERN CC(C)CCNc1cncc(F)c1 300767982 344993606 /nfs/dbraw/zinc/99/36/06/344993606.db2.gz WCZVFUGDDVHXJD-UHFFFAOYSA-N 0 0 182.242 2.679 10 0 AFAERN COc1cc(F)cc(NCC(C)C)c1 300768005 344993722 /nfs/dbraw/zinc/99/37/22/344993722.db2.gz WGBHBRAWWIGYLF-UHFFFAOYSA-N 0 0 197.253 2.902 10 0 AFAERN CC(C)[C@@H](C)Nc1cncc(F)c1 300767935 344993754 /nfs/dbraw/zinc/99/37/54/344993754.db2.gz VWINNTRKCVZKAH-MRVPVSSYSA-N 0 0 182.242 2.677 10 0 AFAERN CC(C)[C@H](C)Nc1cncc(F)c1 300767938 344993813 /nfs/dbraw/zinc/99/38/13/344993813.db2.gz VWINNTRKCVZKAH-QMMMGPOBSA-N 0 0 182.242 2.677 10 0 AFAERN COC(=O)Nc1cccc(C)c1Cl 300768802 344994501 /nfs/dbraw/zinc/99/45/01/344994501.db2.gz WRUNNRATSYGSLH-UHFFFAOYSA-N 0 0 199.637 2.827 10 0 AFAERN CCn1c(Cl)nc2ccc(F)cc21 300776321 344996031 /nfs/dbraw/zinc/99/60/31/344996031.db2.gz QXKHEFUOWBQEBE-UHFFFAOYSA-N 0 0 198.628 2.849 10 0 AFAERN Cc1cccc(NCC2CC2)c1F 300782113 344996706 /nfs/dbraw/zinc/99/67/06/344996706.db2.gz SUSOTJSNMCIRCP-UHFFFAOYSA-N 0 0 179.238 2.956 10 0 AFAERN CC(=O)C[C@@H]1CCCC(F)(F)C1 300795533 344999374 /nfs/dbraw/zinc/99/93/74/344999374.db2.gz ZSRJAPXUNRWNAD-QMMMGPOBSA-N 0 0 176.206 2.791 10 0 AFAERN CC(=O)C[C@H]1CCCC(F)(F)C1 300795529 344999375 /nfs/dbraw/zinc/99/93/75/344999375.db2.gz ZSRJAPXUNRWNAD-MRVPVSSYSA-N 0 0 176.206 2.791 10 0 AFAERN Cc1ccsc1-c1cncc(N)c1 300803208 345000033 /nfs/dbraw/zinc/00/00/33/345000033.db2.gz DFNAEPFJBLYSJF-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1sc(Cl)nc1C1CC1 300809370 345000428 /nfs/dbraw/zinc/00/04/28/345000428.db2.gz WZJCWTLHXTVRGX-UHFFFAOYSA-N 0 0 173.668 2.982 10 0 AFAERN Cc1ccc2c(=O)cc[nH]c2c1Cl 300834477 345003994 /nfs/dbraw/zinc/00/39/94/345003994.db2.gz DAAZSHFJHATZIA-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN COc1ccc(C)c(NC2CC2)c1 300843140 345004751 /nfs/dbraw/zinc/00/47/51/345004751.db2.gz FRAMCJXPNBOWSX-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN O=C(C[C@@H]1CCC(F)(F)C1)C1CC1 300846614 345004808 /nfs/dbraw/zinc/00/48/08/345004808.db2.gz JHDLPGPVFAVTEZ-ZETCQYMHSA-N 0 0 188.217 2.791 10 0 AFAERN O=C(C[C@H]1CCC(F)(F)C1)C1CC1 300846612 345004951 /nfs/dbraw/zinc/00/49/51/345004951.db2.gz JHDLPGPVFAVTEZ-SSDOTTSWSA-N 0 0 188.217 2.791 10 0 AFAERN C=CC(=O)Nc1cccc(C)c1Cl 300849919 345005302 /nfs/dbraw/zinc/00/53/02/345005302.db2.gz GZUUYDGIVKTCBP-UHFFFAOYSA-N 0 0 195.649 2.773 10 0 AFAERN CCn1ccc(N[C@@H]2CCC[C@H]2C)n1 300872682 345008149 /nfs/dbraw/zinc/00/81/49/345008149.db2.gz LDBWHCRFDAZVGP-NXEZZACHSA-N 0 0 193.294 2.504 10 0 AFAERN Cc1ccc2ccc(N)nc2c1Cl 300876441 345008164 /nfs/dbraw/zinc/00/81/64/345008164.db2.gz LVUUBNNLYCTQJQ-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCOC(=N)[C@H]1CCCC(F)(F)C1 300876982 345008226 /nfs/dbraw/zinc/00/82/26/345008226.db2.gz KVOACGUTIYPDMU-ZETCQYMHSA-N 0 0 191.221 2.826 10 0 AFAERN CCn1ccc(N[C@H]2CCC[C@H]2C)n1 300872688 345008234 /nfs/dbraw/zinc/00/82/34/345008234.db2.gz LDBWHCRFDAZVGP-ZJUUUORDSA-N 0 0 193.294 2.504 10 0 AFAERN O=C(C1CCC1)[C@H]1CCC(F)(F)C1 300876068 345008244 /nfs/dbraw/zinc/00/82/44/345008244.db2.gz KSGQKAMDUVGHFF-QMMMGPOBSA-N 0 0 188.217 2.791 10 0 AFAERN O=C(C1CCC1)[C@@H]1CCC(F)(F)C1 300876067 345008269 /nfs/dbraw/zinc/00/82/69/345008269.db2.gz KSGQKAMDUVGHFF-MRVPVSSYSA-N 0 0 188.217 2.791 10 0 AFAERN CCn1ccc(N[C@H]2CCC[C@@H]2C)n1 300872684 345008286 /nfs/dbraw/zinc/00/82/86/345008286.db2.gz LDBWHCRFDAZVGP-UWVGGRQHSA-N 0 0 193.294 2.504 10 0 AFAERN CCOC(=N)[C@@H]1CCCC(F)(F)C1 300876981 345008329 /nfs/dbraw/zinc/00/83/29/345008329.db2.gz KVOACGUTIYPDMU-SSDOTTSWSA-N 0 0 191.221 2.826 10 0 AFAERN Cc1ccc(OC(C)(C)C)cc1N 300877949 345008684 /nfs/dbraw/zinc/00/86/84/345008684.db2.gz MFSGVKIGUANQOB-UHFFFAOYSA-N 0 0 179.263 2.755 10 0 AFAERN CCCNc1ccc2c(c1)COC2 300886408 345009143 /nfs/dbraw/zinc/00/91/43/345009143.db2.gz AXNYFJQSNNZDBJ-UHFFFAOYSA-N 0 0 177.247 2.539 10 0 AFAERN Cc1cc(Cl)ncc1NCC1CC1 300885638 345009165 /nfs/dbraw/zinc/00/91/65/345009165.db2.gz ATGBYFYDASUTHG-UHFFFAOYSA-N 0 0 196.681 2.865 10 0 AFAERN Cc1cc(C(=O)c2ccco2)oc1C 300885453 345009334 /nfs/dbraw/zinc/00/93/34/345009334.db2.gz NMUFOJVCUBCKNR-UHFFFAOYSA-N 0 0 190.198 2.720 10 0 AFAERN Cc1ccc2ccc(=O)[nH]c2c1Cl 300888810 345009375 /nfs/dbraw/zinc/00/93/75/345009375.db2.gz ODZHNULARMFDFO-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@@H]2C)oc1C 300889595 345009632 /nfs/dbraw/zinc/00/96/32/345009632.db2.gz OGXLOCQWCVSRFW-IONNQARKSA-N 0 0 178.231 2.735 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@H]2C)oc1C 300889597 345009640 /nfs/dbraw/zinc/00/96/40/345009640.db2.gz OGXLOCQWCVSRFW-VXNVDRBHSA-N 0 0 178.231 2.735 10 0 AFAERN C/C=C/CNc1cn(C)nc1C(C)C 300889908 345009642 /nfs/dbraw/zinc/00/96/42/345009642.db2.gz DLUGVQIYGWCAFM-AATRIKPKSA-N 0 0 193.294 2.532 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@H]2C)oc1C 300889589 345009666 /nfs/dbraw/zinc/00/96/66/345009666.db2.gz OGXLOCQWCVSRFW-APPZFPTMSA-N 0 0 178.231 2.735 10 0 AFAERN O[C@H](C(F)F)C1CCCCCCC1 300893178 345009686 /nfs/dbraw/zinc/00/96/86/345009686.db2.gz GKOGBAHIXOGTSL-VIFPVBQESA-N 0 0 192.249 2.973 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@@H]2C)oc1C 300889592 345009785 /nfs/dbraw/zinc/00/97/85/345009785.db2.gz OGXLOCQWCVSRFW-CBAPKCEASA-N 0 0 178.231 2.735 10 0 AFAERN O[C@@H](C(F)F)C1CCCCCCC1 300893175 345009873 /nfs/dbraw/zinc/00/98/73/345009873.db2.gz GKOGBAHIXOGTSL-SECBINFHSA-N 0 0 192.249 2.973 10 0 AFAERN CC[C@H](C)Nc1ccn(C(C)C)n1 300898482 345010279 /nfs/dbraw/zinc/01/02/79/345010279.db2.gz PSIWDESFDPYQJC-VIFPVBQESA-N 0 0 181.283 2.674 10 0 AFAERN CC[C@@H](C)Nc1ccn(C(C)C)n1 300898481 345010438 /nfs/dbraw/zinc/01/04/38/345010438.db2.gz PSIWDESFDPYQJC-SECBINFHSA-N 0 0 181.283 2.674 10 0 AFAERN C/C=C/CNc1cc(F)cc(OC)c1 300901238 345010667 /nfs/dbraw/zinc/01/06/67/345010667.db2.gz LNMITQYZTYSZTH-ONEGZZNKSA-N 0 0 195.237 2.822 10 0 AFAERN Cc1cc(C(=O)C(F)(F)F)oc1C 300900396 345010924 /nfs/dbraw/zinc/01/09/24/345010924.db2.gz PYYNIRIKFPGKEU-UHFFFAOYSA-N 0 0 192.136 2.641 10 0 AFAERN Cc1ccc2c(c1F)NCC2(C)C 300905155 345011256 /nfs/dbraw/zinc/01/12/56/345011256.db2.gz DKFPRAMQXHUQDF-UHFFFAOYSA-N 0 0 179.238 2.837 10 0 AFAERN O[C@H](C1CC1)[C@@H]1CCCC(F)(F)C1 300910747 345012662 /nfs/dbraw/zinc/01/26/62/345012662.db2.gz OTBHUZDRPQEILX-RKDXNWHRSA-N 0 0 190.233 2.583 10 0 AFAERN O[C@@H](C1CC1)[C@@H]1CCCC(F)(F)C1 300910741 345012416 /nfs/dbraw/zinc/01/24/16/345012416.db2.gz OTBHUZDRPQEILX-BDAKNGLRSA-N 0 0 190.233 2.583 10 0 AFAERN O[C@@H](C1CC1)[C@H]1CCCC(F)(F)C1 300910745 345012470 /nfs/dbraw/zinc/01/24/70/345012470.db2.gz OTBHUZDRPQEILX-IUCAKERBSA-N 0 0 190.233 2.583 10 0 AFAERN O[C@H](C1CC1)[C@H]1CCCC(F)(F)C1 300910743 345012481 /nfs/dbraw/zinc/01/24/81/345012481.db2.gz OTBHUZDRPQEILX-DTWKUNHWSA-N 0 0 190.233 2.583 10 0 AFAERN Cc1cc(-c2ccsc2)ncc1N 300913471 345012659 /nfs/dbraw/zinc/01/26/59/345012659.db2.gz FRGQQYCVCGNHTH-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C=CC(=O)Nc1ccc(C)c(CC)c1 300914775 345012661 /nfs/dbraw/zinc/01/26/61/345012661.db2.gz SIYHILWMLQOVNL-UHFFFAOYSA-N 0 0 189.258 2.682 10 0 AFAERN CCCNc1cccc(C)c1F 300912540 345012699 /nfs/dbraw/zinc/01/26/99/345012699.db2.gz FPFOXOXUZDXUJG-UHFFFAOYSA-N 0 0 167.227 2.956 10 0 AFAERN CC(C)C[C@@H](C)C1CC(=O)CC(=O)C1 300915191 345013038 /nfs/dbraw/zinc/01/30/38/345013038.db2.gz MICLVZWPYRQDNB-SECBINFHSA-N 0 0 196.290 2.607 10 0 AFAERN Cc1cc(-c2cccs2)ncc1N 300915867 345013349 /nfs/dbraw/zinc/01/33/49/345013349.db2.gz GBVRLDMXAGQHRT-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(C)C[C@H](C)C1CC(=O)CC(=O)C1 300915194 345013404 /nfs/dbraw/zinc/01/34/04/345013404.db2.gz MICLVZWPYRQDNB-VIFPVBQESA-N 0 0 196.290 2.607 10 0 AFAERN CSCCNc1cccc(C)c1F 300920301 345013922 /nfs/dbraw/zinc/01/39/22/345013922.db2.gz GRGKUSVPOASODL-UHFFFAOYSA-N 0 0 199.294 2.909 10 0 AFAERN O[C@H](C1CCC1)[C@@H]1CCC(F)(F)C1 300929090 345014350 /nfs/dbraw/zinc/01/43/50/345014350.db2.gz QTBXRGONNHYGDW-RKDXNWHRSA-N 0 0 190.233 2.583 10 0 AFAERN C[C@H]1COCC[C@@H]1Nc1ccsc1 300933736 345015484 /nfs/dbraw/zinc/01/54/84/345015484.db2.gz DDXAHPDYLARQFV-WPRPVWTQSA-N 0 0 197.303 2.585 10 0 AFAERN Cc1cc(C(=O)C(C)C)oc1C 300935698 345015529 /nfs/dbraw/zinc/01/55/29/345015529.db2.gz WWXJHLXCHGXQHG-UHFFFAOYSA-N 0 0 166.220 2.735 10 0 AFAERN C[C@@H]1COCC[C@H]1Nc1ccsc1 300933726 345015614 /nfs/dbraw/zinc/01/56/14/345015614.db2.gz DDXAHPDYLARQFV-PSASIEDQSA-N 0 0 197.303 2.585 10 0 AFAERN C[C@@H]1COCC[C@@H]1Nc1ccsc1 300933729 345015659 /nfs/dbraw/zinc/01/56/59/345015659.db2.gz DDXAHPDYLARQFV-SCZZXKLOSA-N 0 0 197.303 2.585 10 0 AFAERN C[C@H]1COCC[C@H]1Nc1ccsc1 300933732 345015684 /nfs/dbraw/zinc/01/56/84/345015684.db2.gz DDXAHPDYLARQFV-WCBMZHEXSA-N 0 0 197.303 2.585 10 0 AFAERN CCc1ccc([C@@H]2[C@@H](CO)C2(C)C)o1 300945449 345016613 /nfs/dbraw/zinc/01/66/13/345016613.db2.gz GPUSWNXHHKVHCZ-KOLCDFICSA-N 0 0 194.274 2.574 10 0 AFAERN CCc1ccc([C@H]2[C@H](CO)C2(C)C)o1 300945447 345016784 /nfs/dbraw/zinc/01/67/84/345016784.db2.gz GPUSWNXHHKVHCZ-GXSJLCMTSA-N 0 0 194.274 2.574 10 0 AFAERN CCc1ccc([C@H]2[C@@H](CO)C2(C)C)o1 300945452 345016924 /nfs/dbraw/zinc/01/69/24/345016924.db2.gz GPUSWNXHHKVHCZ-MWLCHTKSSA-N 0 0 194.274 2.574 10 0 AFAERN CCc1ccc([C@@H]2[C@H](CO)C2(C)C)o1 300945454 345017188 /nfs/dbraw/zinc/01/71/88/345017188.db2.gz GPUSWNXHHKVHCZ-ONGXEEELSA-N 0 0 194.274 2.574 10 0 AFAERN CCCNc1cnc(Cl)cc1C 300947347 345017397 /nfs/dbraw/zinc/01/73/97/345017397.db2.gz LDRSJXJFQJGYMA-UHFFFAOYSA-N 0 0 184.670 2.865 10 0 AFAERN Cc1c(N)ccc(F)c1NC(C)C 300951279 345017750 /nfs/dbraw/zinc/01/77/50/345017750.db2.gz PBXYXMLYGKBSQK-UHFFFAOYSA-N 0 0 182.242 2.537 10 0 AFAERN CC(F)(F)C(=O)Cc1ccsc1 300952426 345017800 /nfs/dbraw/zinc/01/78/00/345017800.db2.gz ZTZAPKALWIVDAZ-UHFFFAOYSA-N 0 0 190.214 2.515 10 0 AFAERN Cc1cc2ccc(C)c(F)c2nc1N 300962039 345019172 /nfs/dbraw/zinc/01/91/72/345019172.db2.gz NTBBODSTBCMPJJ-UHFFFAOYSA-N 0 0 190.221 2.573 10 0 AFAERN Cc1cccc(NCC(F)F)c1F 300978854 345020672 /nfs/dbraw/zinc/02/06/72/345020672.db2.gz RLZYONRFQLJIHZ-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN Cc1cccc(NCCCF)c1F 300978906 345020947 /nfs/dbraw/zinc/02/09/47/345020947.db2.gz RMYALBSUZFEXPP-UHFFFAOYSA-N 0 0 185.217 2.906 10 0 AFAERN Cc1ccc2c(c1F)NC[C@@H](C)C2 300981867 345021502 /nfs/dbraw/zinc/02/15/02/345021502.db2.gz SECJAYFHDMFPNQ-ZETCQYMHSA-N 0 0 179.238 2.738 10 0 AFAERN Cc1cc(Cl)ncc1NC(C)C 300981213 345021565 /nfs/dbraw/zinc/02/15/65/345021565.db2.gz SBRBFSRCJVRWSO-UHFFFAOYSA-N 0 0 184.670 2.864 10 0 AFAERN Cc1ccc2c(c1F)NC[C@H](C)C2 300981866 345021664 /nfs/dbraw/zinc/02/16/64/345021664.db2.gz SECJAYFHDMFPNQ-SSDOTTSWSA-N 0 0 179.238 2.738 10 0 AFAERN C[C@@H]1CCC[C@@]2(C1)[C@H](CO)C2(C)C 300985117 345021993 /nfs/dbraw/zinc/02/19/93/345021993.db2.gz KZPNKWXTIVPIAE-CKYFFXLPSA-N 0 0 182.307 2.831 10 0 AFAERN C[C@@H]1CCC[C@@]2(C1)[C@@H](CO)C2(C)C 300985635 345022035 /nfs/dbraw/zinc/02/20/35/345022035.db2.gz KZPNKWXTIVPIAE-JFGNBEQYSA-N 0 0 182.307 2.831 10 0 AFAERN O=C(C1CC1)[C@@H]1CCCC(F)(F)C1 300986851 345022135 /nfs/dbraw/zinc/02/21/35/345022135.db2.gz ZMVDVRHLDKVQOL-MRVPVSSYSA-N 0 0 188.217 2.791 10 0 AFAERN C[C@@H]1CCC[C@]2(C1)[C@@H](CO)C2(C)C 300985638 345022187 /nfs/dbraw/zinc/02/21/87/345022187.db2.gz KZPNKWXTIVPIAE-SCVCMEIPSA-N 0 0 182.307 2.831 10 0 AFAERN O=C(C1CC1)[C@H]1CCCC(F)(F)C1 300986853 345022243 /nfs/dbraw/zinc/02/22/43/345022243.db2.gz ZMVDVRHLDKVQOL-QMMMGPOBSA-N 0 0 188.217 2.791 10 0 AFAERN C[C@@H]1CCC[C@]2(C1)[C@H](CO)C2(C)C 300985630 345022290 /nfs/dbraw/zinc/02/22/90/345022290.db2.gz KZPNKWXTIVPIAE-FOGDFJRCSA-N 0 0 182.307 2.831 10 0 AFAERN C[C@@H](CC1CC1)Nc1cncc(F)c1 300990285 345022625 /nfs/dbraw/zinc/02/26/25/345022625.db2.gz UXYGDYRTPZAVBV-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN C[C@H](CC1CC1)Nc1cncc(F)c1 300990281 345022632 /nfs/dbraw/zinc/02/26/32/345022632.db2.gz UXYGDYRTPZAVBV-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN Cc1cccc(NC2CC2)c1F 300995411 345023150 /nfs/dbraw/zinc/02/31/50/345023150.db2.gz WESQDKJXZWKIOK-UHFFFAOYSA-N 0 0 165.211 2.708 10 0 AFAERN Cc1cc(Cl)ncc1NC1CC1 300993353 345023161 /nfs/dbraw/zinc/02/31/61/345023161.db2.gz VRIVLGTVQXNYGK-UHFFFAOYSA-N 0 0 182.654 2.618 10 0 AFAERN Cc1cccc(NCCF)c1F 300999056 345023779 /nfs/dbraw/zinc/02/37/79/345023779.db2.gz XHDQCLFNSQKXGG-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN CCC[C@@H](C)Nc1cncc(F)c1 301002663 345024036 /nfs/dbraw/zinc/02/40/36/345024036.db2.gz YDMGEVLYOMDVJH-MRVPVSSYSA-N 0 0 182.242 2.821 10 0 AFAERN CCC[C@H](C)Nc1cncc(F)c1 301002667 345024174 /nfs/dbraw/zinc/02/41/74/345024174.db2.gz YDMGEVLYOMDVJH-QMMMGPOBSA-N 0 0 182.242 2.821 10 0 AFAERN Cc1ccc2c(Cl)ncnc2c1F 301006829 345024741 /nfs/dbraw/zinc/02/47/41/345024741.db2.gz ZGFGTQRCKLJBBK-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN Cc1sccc1-c1cncc(N)c1 301005782 345024762 /nfs/dbraw/zinc/02/47/62/345024762.db2.gz WRKGDGYJEOZICL-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(C)C[C@H](C)c1noc(Cl)n1 301010513 345025098 /nfs/dbraw/zinc/02/50/98/345025098.db2.gz YSGHXOKEWVQKMN-LURJTMIESA-N 0 0 188.658 2.873 10 0 AFAERN CC(C)C[C@@H](C)c1noc(Cl)n1 301010515 345025206 /nfs/dbraw/zinc/02/52/06/345025206.db2.gz YSGHXOKEWVQKMN-ZCFIWIBFSA-N 0 0 188.658 2.873 10 0 AFAERN Cc1cc(-c2cncc(N)c2)cs1 301007978 345025220 /nfs/dbraw/zinc/02/52/20/345025220.db2.gz XAPWTUWTQALSSU-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC1(C)CCC[C@]12[C@H](CO)C2(C)C 301011390 345025833 /nfs/dbraw/zinc/02/58/33/345025833.db2.gz OHGSYXIELXYVCN-SKDRFNHKSA-N 0 0 182.307 2.831 10 0 AFAERN CC1(C)CCC[C@@]12[C@H](CO)C2(C)C 301011387 345025837 /nfs/dbraw/zinc/02/58/37/345025837.db2.gz OHGSYXIELXYVCN-BXKDBHETSA-N 0 0 182.307 2.831 10 0 AFAERN CC1(C)CCC[C@]12[C@@H](CO)C2(C)C 301011388 345025932 /nfs/dbraw/zinc/02/59/32/345025932.db2.gz OHGSYXIELXYVCN-CABZTGNLSA-N 0 0 182.307 2.831 10 0 AFAERN CC1(C)CCC[C@@]12[C@@H](CO)C2(C)C 301011389 345026044 /nfs/dbraw/zinc/02/60/44/345026044.db2.gz OHGSYXIELXYVCN-JOYOIKCWSA-N 0 0 182.307 2.831 10 0 AFAERN Cc1ccc([C@@H]2[C@@H](CO)C2(C)C)cc1 301035145 345030280 /nfs/dbraw/zinc/03/02/80/345030280.db2.gz WRUDUXBPMLUVLB-VXGBXAGGSA-N 0 0 190.286 2.727 10 0 AFAERN Cc1ccc([C@H]2[C@H](CO)C2(C)C)cc1 301035144 345030285 /nfs/dbraw/zinc/03/02/85/345030285.db2.gz WRUDUXBPMLUVLB-RYUDHWBXSA-N 0 0 190.286 2.727 10 0 AFAERN Cc1ccc([C@@H]2[C@H](CO)C2(C)C)cc1 301035143 345030308 /nfs/dbraw/zinc/03/03/08/345030308.db2.gz WRUDUXBPMLUVLB-NWDGAFQWSA-N 0 0 190.286 2.727 10 0 AFAERN Cc1ccc([C@H]2[C@@H](CO)C2(C)C)cc1 301035142 345030316 /nfs/dbraw/zinc/03/03/16/345030316.db2.gz WRUDUXBPMLUVLB-NEPJUHHUSA-N 0 0 190.286 2.727 10 0 AFAERN Cc1ccccc1[C@H]1[C@@H](CO)C1(C)C 301038973 345031585 /nfs/dbraw/zinc/03/15/85/345031585.db2.gz YJIGKVSTZWNDBI-NEPJUHHUSA-N 0 0 190.286 2.727 10 0 AFAERN Cc1ccccc1[C@@H]1[C@@H](CO)C1(C)C 301038976 345031619 /nfs/dbraw/zinc/03/16/19/345031619.db2.gz YJIGKVSTZWNDBI-VXGBXAGGSA-N 0 0 190.286 2.727 10 0 AFAERN Cc1ccccc1[C@@H]1[C@H](CO)C1(C)C 301038974 345031759 /nfs/dbraw/zinc/03/17/59/345031759.db2.gz YJIGKVSTZWNDBI-NWDGAFQWSA-N 0 0 190.286 2.727 10 0 AFAERN Cc1ccccc1[C@H]1[C@H](CO)C1(C)C 301038975 345031776 /nfs/dbraw/zinc/03/17/76/345031776.db2.gz YJIGKVSTZWNDBI-RYUDHWBXSA-N 0 0 190.286 2.727 10 0 AFAERN Cc1ccsc1C(=O)C(C)(C)F 306148054 345036231 /nfs/dbraw/zinc/03/62/31/345036231.db2.gz AZTBXHSDXYCIHJ-UHFFFAOYSA-N 0 0 186.251 2.987 10 0 AFAERN CSc1ccc(F)c(F)c1C 306149142 345037788 /nfs/dbraw/zinc/03/77/88/345037788.db2.gz AAXGKDVSUXITKH-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN CC(C)(F)C(=O)c1ccccc1F 306149620 345038238 /nfs/dbraw/zinc/03/82/38/345038238.db2.gz ALKPURDCCKPJHU-UHFFFAOYSA-N 0 0 184.185 2.757 10 0 AFAERN CC1(C)CC[C@]1(O)CCC(F)(F)F 306149890 345038965 /nfs/dbraw/zinc/03/89/65/345038965.db2.gz FFKACNJHRHQKBU-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN CC1(C)CC[C@@]1(O)CCC(F)(F)F 306149884 345039054 /nfs/dbraw/zinc/03/90/54/345039054.db2.gz FFKACNJHRHQKBU-MRVPVSSYSA-N 0 0 196.212 2.880 10 0 AFAERN Oc1cc(F)cc(-c2ccsn2)c1 306150678 345039545 /nfs/dbraw/zinc/03/95/45/345039545.db2.gz COBZIWDOYGFHBZ-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CCc1ccc(C(=O)C(C)(C)F)o1 306150754 345040029 /nfs/dbraw/zinc/04/00/29/345040029.db2.gz GEFSRTGXVRJFJV-UHFFFAOYSA-N 0 0 184.210 2.773 10 0 AFAERN CCc1nc2c([nH]1)[C@H](C)[C@@H](C)CC2 306150816 345040060 /nfs/dbraw/zinc/04/00/60/345040060.db2.gz GKNJLIAMLBGRPS-JGVFFNPUSA-N 0 0 178.279 2.658 10 0 AFAERN CCc1nc2c([nH]1)[C@@H](C)[C@@H](C)CC2 306150821 345040070 /nfs/dbraw/zinc/04/00/70/345040070.db2.gz GKNJLIAMLBGRPS-YUMQZZPRSA-N 0 0 178.279 2.658 10 0 AFAERN CCc1nc2c([nH]1)[C@H](C)[C@H](C)CC2 306150815 345040309 /nfs/dbraw/zinc/04/03/09/345040309.db2.gz GKNJLIAMLBGRPS-HTQZYQBOSA-N 0 0 178.279 2.658 10 0 AFAERN CCc1nc2c([nH]1)[C@@H](C)[C@H](C)CC2 306150819 345040326 /nfs/dbraw/zinc/04/03/26/345040326.db2.gz GKNJLIAMLBGRPS-SFYZADRCSA-N 0 0 178.279 2.658 10 0 AFAERN CCC1CC(Nc2cccnc2C)C1 306150894 345040462 /nfs/dbraw/zinc/04/04/62/345040462.db2.gz COXWMASBLIEJCA-UHFFFAOYSA-N 0 0 190.290 2.991 10 0 AFAERN Nc1cc(F)ccc1C1=CCCC1 306151265 345040983 /nfs/dbraw/zinc/04/09/83/345040983.db2.gz FADCQBXTWWPXIY-UHFFFAOYSA-N 0 0 177.222 2.975 10 0 AFAERN C[C@@H]1CC=C(c2cnc(N)s2)CC1 306151519 345041324 /nfs/dbraw/zinc/04/13/24/345041324.db2.gz GTLVXZOECGMMBM-SSDOTTSWSA-N 0 0 194.303 2.929 10 0 AFAERN FC(F)(F)N1CCCCCCC1 306154257 345044800 /nfs/dbraw/zinc/04/48/00/345044800.db2.gz KABIYBFAVIOLDD-UHFFFAOYSA-N 0 0 181.201 2.772 10 0 AFAERN c1cn2cc(C3CCC3)nc2s1 306154327 345044960 /nfs/dbraw/zinc/04/49/60/345044960.db2.gz BGSCGNPKZCFXPN-UHFFFAOYSA-N 0 0 178.260 2.663 10 0 AFAERN CC(C)c1nnc(C=C2CCC2)o1 306155870 345047180 /nfs/dbraw/zinc/04/71/80/345047180.db2.gz KHVNHGSXFVWFSH-UHFFFAOYSA-N 0 0 178.235 2.760 10 0 AFAERN C[C@@H](c1ncsc1N)C(C)(C)C 306157150 345047708 /nfs/dbraw/zinc/04/77/08/345047708.db2.gz JCKZAWRCYKNXQI-LURJTMIESA-N 0 0 184.308 2.875 10 0 AFAERN C[C@H](c1ncsc1N)C(C)(C)C 306157151 345047883 /nfs/dbraw/zinc/04/78/83/345047883.db2.gz JCKZAWRCYKNXQI-ZCFIWIBFSA-N 0 0 184.308 2.875 10 0 AFAERN CCc1sc(NC)nc1C1CC1 306158410 345048286 /nfs/dbraw/zinc/04/82/86/345048286.db2.gz KPSVAGDPJQTWHO-UHFFFAOYSA-N 0 0 182.292 2.625 10 0 AFAERN CC(C)c1nnc(NC2CCC2)s1 306159265 345049432 /nfs/dbraw/zinc/04/94/32/345049432.db2.gz APFLEIQRPJMBMF-UHFFFAOYSA-N 0 0 197.307 2.626 10 0 AFAERN Cc1ccc(N(C)CC(F)F)cc1 306159982 345050291 /nfs/dbraw/zinc/05/02/91/345050291.db2.gz NYZVAHFXTPFBEX-UHFFFAOYSA-N 0 0 185.217 2.696 10 0 AFAERN CC1(C)CCC[C@@]1(O)c1ccsn1 306159855 345050574 /nfs/dbraw/zinc/05/05/74/345050574.db2.gz FFFCIHHGCYKQTE-SNVBAGLBSA-N 0 0 197.303 2.541 10 0 AFAERN CC1(C)CCC[C@]1(O)c1ccsn1 306159853 345050737 /nfs/dbraw/zinc/05/07/37/345050737.db2.gz FFFCIHHGCYKQTE-JTQLQIEISA-N 0 0 197.303 2.541 10 0 AFAERN CC[C@@H](NO)c1cc(C)ccc1F 306160473 345050913 /nfs/dbraw/zinc/05/09/13/345050913.db2.gz PXAUXFBNZJIDPN-SNVBAGLBSA-N 0 0 183.226 2.564 10 0 AFAERN CCc1nc([C@@H]2CC[C@H](C)C2)no1 306161001 345051708 /nfs/dbraw/zinc/05/17/08/345051708.db2.gz PGXSTAHISCATKC-JGVFFNPUSA-N 0 0 180.251 2.536 10 0 AFAERN CCc1nc([C@H]2CC[C@H](C)C2)no1 306161008 345051732 /nfs/dbraw/zinc/05/17/32/345051732.db2.gz PGXSTAHISCATKC-YUMQZZPRSA-N 0 0 180.251 2.536 10 0 AFAERN Cc1noc(C)c1N[C@@H](C)C1CC1 306161042 345051742 /nfs/dbraw/zinc/05/17/42/345051742.db2.gz PNAUYOJVDRHUOO-LURJTMIESA-N 0 0 180.251 2.502 10 0 AFAERN CCc1nc([C@H]2CC[C@@H](C)C2)no1 306161004 345051772 /nfs/dbraw/zinc/05/17/72/345051772.db2.gz PGXSTAHISCATKC-SFYZADRCSA-N 0 0 180.251 2.536 10 0 AFAERN Cc1noc(C)c1N[C@H](C)C1CC1 306161046 345051992 /nfs/dbraw/zinc/05/19/92/345051992.db2.gz PNAUYOJVDRHUOO-ZCFIWIBFSA-N 0 0 180.251 2.502 10 0 AFAERN CCc1nc([C@@H]2CC[C@@H](C)C2)no1 306160997 345052051 /nfs/dbraw/zinc/05/20/51/345052051.db2.gz PGXSTAHISCATKC-HTQZYQBOSA-N 0 0 180.251 2.536 10 0 AFAERN CC(C)=C(C)C(=O)N[C@H](C)C(C)C 306163219 345054079 /nfs/dbraw/zinc/05/40/79/345054079.db2.gz RHVJYOGYKUOLOO-SNVBAGLBSA-N 0 0 183.295 2.503 10 0 AFAERN CC1(C)CC(C(=O)OC2CCC2)C1 306162797 345054348 /nfs/dbraw/zinc/05/43/48/345054348.db2.gz SQKMIAGHPHJCKS-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)=C(C)C(=O)N[C@@H](C)C(C)C 306163215 345054371 /nfs/dbraw/zinc/05/43/71/345054371.db2.gz RHVJYOGYKUOLOO-JTQLQIEISA-N 0 0 183.295 2.503 10 0 AFAERN Cc1nnc(Cl)cc1CC(C)C 306164557 345056133 /nfs/dbraw/zinc/05/61/33/345056133.db2.gz ANWVWLAFUKYARC-UHFFFAOYSA-N 0 0 184.670 2.637 10 0 AFAERN COc1cc(C)c(SC)cc1OC 306165550 345056552 /nfs/dbraw/zinc/05/65/52/345056552.db2.gz UFMHCGBRXJBFIB-UHFFFAOYSA-N 0 0 198.287 2.734 10 0 AFAERN C[C@H]1CCNc2c(F)cc(F)cc21 306165529 345056740 /nfs/dbraw/zinc/05/67/40/345056740.db2.gz VMHGEYKWFJKJRE-LURJTMIESA-N 0 0 183.201 2.884 10 0 AFAERN C[C@@H]1CCNc2c(F)cc(F)cc21 306165532 345056745 /nfs/dbraw/zinc/05/67/45/345056745.db2.gz VMHGEYKWFJKJRE-ZCFIWIBFSA-N 0 0 183.201 2.884 10 0 AFAERN Cc1ccc(N)c(-c2cscn2)c1 306165912 345057278 /nfs/dbraw/zinc/05/72/78/345057278.db2.gz IPGMPFJVJCUETJ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN O=C(c1ccsn1)C1CCCCC1 306166370 345057957 /nfs/dbraw/zinc/05/79/57/345057957.db2.gz BPRFRNQYJUEPQK-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN CCC(=O)Cc1sccc1Cl 306167446 345058828 /nfs/dbraw/zinc/05/88/28/345058828.db2.gz NOOSALGBDPPVQS-UHFFFAOYSA-N 0 0 188.679 2.923 10 0 AFAERN Cc1sccc1C(=O)C(C)(F)F 306167839 345059248 /nfs/dbraw/zinc/05/92/48/345059248.db2.gz QIZVUXGUTJCMAK-UHFFFAOYSA-N 0 0 190.214 2.894 10 0 AFAERN Cc1csc([C@H]([NH3+])[C@H](C)C(C)C)n1 306168638 345059746 /nfs/dbraw/zinc/05/97/46/345059746.db2.gz WFVRKIFICMBKAA-RKDXNWHRSA-N 0 0 198.335 2.743 10 0 AFAERN Cc1csc([C@@H]([NH3+])[C@H](C)C(C)C)n1 306168614 345059819 /nfs/dbraw/zinc/05/98/19/345059819.db2.gz WFVRKIFICMBKAA-BDAKNGLRSA-N 0 0 198.335 2.743 10 0 AFAERN Cc1csc([C@H]([NH3+])[C@@H](C)C(C)C)n1 306168623 345060030 /nfs/dbraw/zinc/06/00/30/345060030.db2.gz WFVRKIFICMBKAA-DTWKUNHWSA-N 0 0 198.335 2.743 10 0 AFAERN Cc1csc([C@@H]([NH3+])[C@@H](C)C(C)C)n1 306168631 345060092 /nfs/dbraw/zinc/06/00/92/345060092.db2.gz WFVRKIFICMBKAA-IUCAKERBSA-N 0 0 198.335 2.743 10 0 AFAERN O=Cc1ncc(C2=CCCC2)s1 306170899 345062106 /nfs/dbraw/zinc/06/21/06/345062106.db2.gz RXQSXSWBMPTZRE-UHFFFAOYSA-N 0 0 179.244 2.523 10 0 AFAERN Cc1cc([C@@H]([NH3+])C2(C)CC2)c(C)o1 306170989 345062864 /nfs/dbraw/zinc/06/28/64/345062864.db2.gz SADSUIPKPSXWCD-SNVBAGLBSA-N 0 0 179.263 2.696 10 0 AFAERN FCCCNc1nc(Cl)cs1 306171812 345063302 /nfs/dbraw/zinc/06/33/02/345063302.db2.gz TWVHJXLGQSKMHR-UHFFFAOYSA-N 0 0 194.662 2.568 10 0 AFAERN Cc1ccc(C(=O)C(C)(C)F)s1 306174155 345064700 /nfs/dbraw/zinc/06/47/00/345064700.db2.gz UNCVDLDCTDCUEF-UHFFFAOYSA-N 0 0 186.251 2.987 10 0 AFAERN CCNc1ncc(-c2ccccc2)o1 306174870 345065455 /nfs/dbraw/zinc/06/54/55/345065455.db2.gz MEXRZKYMVWBWCI-UHFFFAOYSA-N 0 0 188.230 2.773 10 0 AFAERN COc1ccc([C@@H]2CCCC2=O)s1 306175184 345065830 /nfs/dbraw/zinc/06/58/30/345065830.db2.gz MJUIZFWFUPMZEH-SSDOTTSWSA-N 0 0 196.271 2.593 10 0 AFAERN COc1ccc([C@H]2CCCC2=O)s1 306175188 345065866 /nfs/dbraw/zinc/06/58/66/345065866.db2.gz MJUIZFWFUPMZEH-ZETCQYMHSA-N 0 0 196.271 2.593 10 0 AFAERN CC1(c2nc3c(F)cccc3[nH]2)CC1 306175605 345065874 /nfs/dbraw/zinc/06/58/74/345065874.db2.gz WWQJZNODGOPXIJ-UHFFFAOYSA-N 0 0 190.221 2.754 10 0 AFAERN CC(C)(C)C(C)(C)c1cc(N)on1 306176191 345066447 /nfs/dbraw/zinc/06/64/47/345066447.db2.gz NRGDCUKCZNQNON-UHFFFAOYSA-N 0 0 182.267 2.581 10 0 AFAERN CCC1(CC(C)=O)CCC1 306176495 345067292 /nfs/dbraw/zinc/06/72/92/345067292.db2.gz XZARCMLAQNJBFB-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN CCc1nc(N2CCCC2)sc1C 306177555 345068399 /nfs/dbraw/zinc/06/83/99/345068399.db2.gz GDQOJPMHSMEWEI-UHFFFAOYSA-N 0 0 196.319 2.614 10 0 AFAERN CCCNc1c(C)ccnc1C 306177945 345068758 /nfs/dbraw/zinc/06/87/58/345068758.db2.gz YFYMPOFJTLRJJU-UHFFFAOYSA-N 0 0 164.252 2.520 10 0 AFAERN Cc1ccsc1C(=O)C(C)(F)F 306178977 345070083 /nfs/dbraw/zinc/07/00/83/345070083.db2.gz HYYBNCJGGHRJNX-UHFFFAOYSA-N 0 0 190.214 2.894 10 0 AFAERN C[C@H](Nc1cncc(F)c1)C1CCC1 306179812 345071333 /nfs/dbraw/zinc/07/13/33/345071333.db2.gz RJENKPYWWIYBGC-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN C[C@@H](Nc1cncc(F)c1)C1CCC1 306179811 345071459 /nfs/dbraw/zinc/07/14/59/345071459.db2.gz RJENKPYWWIYBGC-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN CC(C)[C@H]1CC[C@@H]1Nc1cccnc1 306180310 345071505 /nfs/dbraw/zinc/07/15/05/345071505.db2.gz RLVAPAOYASHIHU-NEPJUHHUSA-N 0 0 190.290 2.928 10 0 AFAERN CC(C)[C@H]1CC[C@H]1Nc1cccnc1 306180342 345071868 /nfs/dbraw/zinc/07/18/68/345071868.db2.gz RLVAPAOYASHIHU-VXGBXAGGSA-N 0 0 190.290 2.928 10 0 AFAERN CC(C)[C@@H]1CC[C@H]1Nc1cccnc1 306180320 345071894 /nfs/dbraw/zinc/07/18/94/345071894.db2.gz RLVAPAOYASHIHU-NWDGAFQWSA-N 0 0 190.290 2.928 10 0 AFAERN CC(C)[C@@H]1CC[C@@H]1Nc1cccnc1 306180335 345071909 /nfs/dbraw/zinc/07/19/09/345071909.db2.gz RLVAPAOYASHIHU-RYUDHWBXSA-N 0 0 190.290 2.928 10 0 AFAERN Cc1ccc(Cl)c(C[C@@H]2CO2)c1 306182189 345073540 /nfs/dbraw/zinc/07/35/40/345073540.db2.gz WROWQSUGESFTFM-SECBINFHSA-N 0 0 182.650 2.590 10 0 AFAERN CC[C@H](NN)c1cc(C)ccc1Cl 306182218 345073550 /nfs/dbraw/zinc/07/35/50/345073550.db2.gz WVKUUOSPQOTQEQ-JTQLQIEISA-N 0 0 198.697 2.563 10 0 AFAERN CC[C@@H](NN)c1cc(C)ccc1Cl 306182219 345073556 /nfs/dbraw/zinc/07/35/56/345073556.db2.gz WVKUUOSPQOTQEQ-SNVBAGLBSA-N 0 0 198.697 2.563 10 0 AFAERN CC[C@H](NO)c1ccc(F)c(C)c1 306183464 345074763 /nfs/dbraw/zinc/07/47/63/345074763.db2.gz BEXVVWIRFHOUDD-JTQLQIEISA-N 0 0 183.226 2.564 10 0 AFAERN CC(C)SC1=N[C@H](C)CS1 306183838 345075190 /nfs/dbraw/zinc/07/51/90/345075190.db2.gz AOSXQKTWPJPZSD-ZCFIWIBFSA-N 0 0 175.322 2.619 10 0 AFAERN CC(C)SC1=N[C@@H](C)CS1 306183828 345075194 /nfs/dbraw/zinc/07/51/94/345075194.db2.gz AOSXQKTWPJPZSD-LURJTMIESA-N 0 0 175.322 2.619 10 0 AFAERN Cc1ccc(N[C@@H]2CC[C@H](F)C2)nc1 306185399 345075638 /nfs/dbraw/zinc/07/56/38/345075638.db2.gz ABVOOZYBCQJQLO-VHSXEESVSA-N 0 0 194.253 2.693 10 0 AFAERN Cc1ccc(N[C@H]2CC[C@@H](F)C2)nc1 306185400 345075665 /nfs/dbraw/zinc/07/56/65/345075665.db2.gz ABVOOZYBCQJQLO-ZJUUUORDSA-N 0 0 194.253 2.693 10 0 AFAERN CSC(C)(C)[C@@H](O)c1ccccc1 306185361 345075778 /nfs/dbraw/zinc/07/57/78/345075778.db2.gz RGFVVNDZTIPSCK-JTQLQIEISA-N 0 0 196.315 2.862 10 0 AFAERN Cc1ccc(N[C@H]2CC[C@H](F)C2)nc1 306185398 345075780 /nfs/dbraw/zinc/07/57/80/345075780.db2.gz ABVOOZYBCQJQLO-UWVGGRQHSA-N 0 0 194.253 2.693 10 0 AFAERN CC(C)[C@@H](C)C1(CO)CCCC1 306186209 345076566 /nfs/dbraw/zinc/07/65/66/345076566.db2.gz BJZJFUCEALVLFH-SNVBAGLBSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)[C@H](C)C1(CO)CCCC1 306186208 345076648 /nfs/dbraw/zinc/07/66/48/345076648.db2.gz BJZJFUCEALVLFH-JTQLQIEISA-N 0 0 170.296 2.831 10 0 AFAERN C1CC(SCC2CC2)C1 306187330 345077469 /nfs/dbraw/zinc/07/74/69/345077469.db2.gz BYNMIXUZBIAUMZ-UHFFFAOYSA-N 0 0 142.267 2.682 10 0 AFAERN CCNc1cc(C)cc(OC)c1C 306187675 345077788 /nfs/dbraw/zinc/07/77/88/345077788.db2.gz ALQXTTCAIGNBJE-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CCCc1noc(C=C2CCC2)n1 306187589 345077851 /nfs/dbraw/zinc/07/78/51/345077851.db2.gz ACDRQUZXJSVBML-UHFFFAOYSA-N 0 0 178.235 2.589 10 0 AFAERN CC(C)c1ccccc1C1(F)CNC1 306187396 345077966 /nfs/dbraw/zinc/07/79/66/345077966.db2.gz CDSNSDBTAXEGOU-UHFFFAOYSA-N 0 0 193.265 2.578 10 0 AFAERN Cc1c[nH]c(C(=O)C(C)(C)F)c1C 306188281 345078676 /nfs/dbraw/zinc/07/86/76/345078676.db2.gz APRIVLNZAQIBHR-UHFFFAOYSA-N 0 0 183.226 2.562 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1csc(C)c1 306189171 345079407 /nfs/dbraw/zinc/07/94/07/345079407.db2.gz HQXIDEJZKSEJCS-NXEZZACHSA-N 0 0 180.272 2.749 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1csc(C)c1 306189173 345079452 /nfs/dbraw/zinc/07/94/52/345079452.db2.gz HQXIDEJZKSEJCS-VHSXEESVSA-N 0 0 180.272 2.749 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1csc(C)c1 306189175 345079573 /nfs/dbraw/zinc/07/95/73/345079573.db2.gz HQXIDEJZKSEJCS-ZJUUUORDSA-N 0 0 180.272 2.749 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1csc(C)c1 306189172 345079648 /nfs/dbraw/zinc/07/96/48/345079648.db2.gz HQXIDEJZKSEJCS-UWVGGRQHSA-N 0 0 180.272 2.749 10 0 AFAERN CC(C)=CC(O)(C1CC1)C1CC1 306189344 345079779 /nfs/dbraw/zinc/07/97/79/345079779.db2.gz DGZFYUSMQCINDI-UHFFFAOYSA-N 0 0 166.264 2.504 10 0 AFAERN CC1CCC(C[C@H](O)C(F)F)CC1 306190891 345080769 /nfs/dbraw/zinc/08/07/69/345080769.db2.gz MCNNAHCMJYQBSW-HACHORDNSA-N 0 0 192.249 2.829 10 0 AFAERN CC1CCC(C[C@@H](O)C(F)F)CC1 306190890 345080883 /nfs/dbraw/zinc/08/08/83/345080883.db2.gz MCNNAHCMJYQBSW-AMDVSUOASA-N 0 0 192.249 2.829 10 0 AFAERN C[C@@H]1C[C@H](Nc2cccnc2)[C@@H]1C 306191527 345081259 /nfs/dbraw/zinc/08/12/59/345081259.db2.gz RGYWMZKJGFYNQX-KKZNHRDASA-N 0 0 176.263 2.538 10 0 AFAERN C[C@@H]1C[C@@H](Nc2cccnc2)[C@@H]1C 306191521 345081363 /nfs/dbraw/zinc/08/13/63/345081363.db2.gz RGYWMZKJGFYNQX-FXPVBKGRSA-N 0 0 176.263 2.538 10 0 AFAERN C[C@@H]1[C@@H](Nc2cccnc2)C[C@H]1C 306191539 345081434 /nfs/dbraw/zinc/08/14/34/345081434.db2.gz RGYWMZKJGFYNQX-YWVKMMECSA-N 0 0 176.263 2.538 10 0 AFAERN Cc1cc(F)c(F)cc1OC1CC1 306191288 345081472 /nfs/dbraw/zinc/08/14/72/345081472.db2.gz GAKGRAKJLQFQCR-UHFFFAOYSA-N 0 0 184.185 2.814 10 0 AFAERN OC1(C(C2CCC2)C2CCC2)CC1 306191476 345081474 /nfs/dbraw/zinc/08/14/74/345081474.db2.gz OYLNTUMQQSZWEB-UHFFFAOYSA-N 0 0 180.291 2.728 10 0 AFAERN CSCCCSCC1CC1 306192596 345082346 /nfs/dbraw/zinc/08/23/46/345082346.db2.gz ABCYDVMCUYDZHU-UHFFFAOYSA-N 0 0 176.350 2.883 10 0 AFAERN Fc1ccc(CN2CCC2)cc1Cl 306194188 345083917 /nfs/dbraw/zinc/08/39/17/345083917.db2.gz MEIAFVIBBRSSKQ-UHFFFAOYSA-N 0 0 199.656 2.685 10 0 AFAERN O=c1cccc(C2=CCCCC2)[nH]1 306195465 345084978 /nfs/dbraw/zinc/08/49/78/345084978.db2.gz YYSAXNPYCKAKQQ-UHFFFAOYSA-N 0 0 175.231 2.745 10 0 AFAERN Cc1sccc1[C@H](N)C(C)(F)F 306196342 345085635 /nfs/dbraw/zinc/08/56/35/345085635.db2.gz PRTMYHJOLUZMLZ-ZETCQYMHSA-N 0 0 191.246 2.712 10 0 AFAERN Cc1sccc1[C@@H](N)C(C)(F)F 306196341 345085742 /nfs/dbraw/zinc/08/57/42/345085742.db2.gz PRTMYHJOLUZMLZ-SSDOTTSWSA-N 0 0 191.246 2.712 10 0 AFAERN Cc1cc(C)nc(SCC2CC2)n1 306195991 345085822 /nfs/dbraw/zinc/08/58/22/345085822.db2.gz BRNYZPCUKWHIOO-UHFFFAOYSA-N 0 0 194.303 2.596 10 0 AFAERN C[C@H]1CC2(CC2)c2cccc(N)c21 306197881 345086762 /nfs/dbraw/zinc/08/67/62/345086762.db2.gz YAUFQRLSJXUIOL-QMMMGPOBSA-N 0 0 173.259 2.808 10 0 AFAERN C[C@@H]1CC2(CC2)c2cccc(N)c21 306197880 345086897 /nfs/dbraw/zinc/08/68/97/345086897.db2.gz YAUFQRLSJXUIOL-MRVPVSSYSA-N 0 0 173.259 2.808 10 0 AFAERN Cc1occc1[C@@H]1NCC[C@@H](C)S1 306197681 345086945 /nfs/dbraw/zinc/08/69/45/345086945.db2.gz ODPVYAMEXIRSBD-GMSGAONNSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1occc1[C@H]1NCC[C@@H](C)S1 306197683 345086955 /nfs/dbraw/zinc/08/69/55/345086955.db2.gz ODPVYAMEXIRSBD-XCBNKYQSSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1occc1[C@H]1NCC[C@H](C)S1 306197684 345087028 /nfs/dbraw/zinc/08/70/28/345087028.db2.gz ODPVYAMEXIRSBD-XVKPBYJWSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1occc1[C@@H]1NCC[C@H](C)S1 306197682 345087046 /nfs/dbraw/zinc/08/70/46/345087046.db2.gz ODPVYAMEXIRSBD-OIBJUYFYSA-N 0 0 197.303 2.702 10 0 AFAERN C=Cc1cc(F)cc(Cl)c1N 306198307 345087515 /nfs/dbraw/zinc/08/75/15/345087515.db2.gz WFRGUICTOQMNLR-UHFFFAOYSA-N 0 0 171.602 2.704 10 0 AFAERN CC(F)(F)CC(=O)c1ccccc1 306200100 345088803 /nfs/dbraw/zinc/08/88/03/345088803.db2.gz JLUMTXQVCVASNH-UHFFFAOYSA-N 0 0 184.185 2.915 10 0 AFAERN CC(F)(F)CC(=O)c1ccco1 306200624 345089094 /nfs/dbraw/zinc/08/90/94/345089094.db2.gz JORBRBYVWOMVJT-UHFFFAOYSA-N 0 0 174.146 2.508 10 0 AFAERN C[C@H](NO)c1cc(F)ccc1Cl 306200548 345089493 /nfs/dbraw/zinc/08/94/93/345089493.db2.gz MGVWNYVKRWOTQJ-YFKPBYRVSA-N 0 0 189.617 2.519 10 0 AFAERN Cc1scc(N)c1[C@H]1C[C@H]1C 306203083 345092393 /nfs/dbraw/zinc/09/23/93/345092393.db2.gz ZQLXSMBSHQKYTM-VDTYLAMSSA-N 0 0 167.277 2.762 10 0 AFAERN Cc1scc(N)c1[C@@H]1C[C@@H]1C 306203080 345092419 /nfs/dbraw/zinc/09/24/19/345092419.db2.gz ZQLXSMBSHQKYTM-CAHLUQPWSA-N 0 0 167.277 2.762 10 0 AFAERN Cc1scc(N)c1[C@H]1C[C@@H]1C 306203081 345092582 /nfs/dbraw/zinc/09/25/82/345092582.db2.gz ZQLXSMBSHQKYTM-FSPLSTOPSA-N 0 0 167.277 2.762 10 0 AFAERN CC1(COc2ccccc2O)CCC1 306203300 345092639 /nfs/dbraw/zinc/09/26/39/345092639.db2.gz XRWBJRXZHWDHLF-UHFFFAOYSA-N 0 0 192.258 2.961 10 0 AFAERN Cc1scc(N)c1[C@@H]1C[C@H]1C 306203082 345092787 /nfs/dbraw/zinc/09/27/87/345092787.db2.gz ZQLXSMBSHQKYTM-IYSWYEEDSA-N 0 0 167.277 2.762 10 0 AFAERN CC1(C[C@@H](O)C(C)(F)F)CCCC1 306204386 345092976 /nfs/dbraw/zinc/09/29/76/345092976.db2.gz NTVQCPCADONAJO-MRVPVSSYSA-N 0 0 192.249 2.973 10 0 AFAERN CC1(C[C@H](O)C(C)(F)F)CCCC1 306204388 345093264 /nfs/dbraw/zinc/09/32/64/345093264.db2.gz NTVQCPCADONAJO-QMMMGPOBSA-N 0 0 192.249 2.973 10 0 AFAERN Cc1cn([C@@H]2CCC2(C)C)c(=S)[nH]1 306205227 345094277 /nfs/dbraw/zinc/09/42/77/345094277.db2.gz VRWFUQITWZYOOY-MRVPVSSYSA-N 0 0 196.319 2.841 10 0 AFAERN CCNc1ccsc1Cl 306205112 345094518 /nfs/dbraw/zinc/09/45/18/345094518.db2.gz VIAUKUYVTCIYEA-UHFFFAOYSA-N 0 0 161.657 2.833 10 0 AFAERN Cc1cn([C@H]2CCC2(C)C)c(=S)[nH]1 306205228 345094689 /nfs/dbraw/zinc/09/46/89/345094689.db2.gz VRWFUQITWZYOOY-QMMMGPOBSA-N 0 0 196.319 2.841 10 0 AFAERN CC(F)(F)[C@@H](O)c1ccccc1F 306205807 345094989 /nfs/dbraw/zinc/09/49/89/345094989.db2.gz PBUDLRVTYHCMFN-QMMMGPOBSA-N 0 0 190.164 2.514 10 0 AFAERN CCc1cc(NCC(C)(C)C)no1 306206110 345095037 /nfs/dbraw/zinc/09/50/37/345095037.db2.gz PLYMDLVHNMNIRI-UHFFFAOYSA-N 0 0 182.267 2.695 10 0 AFAERN CC(F)(F)[C@H](O)c1ccccc1F 306205806 345095136 /nfs/dbraw/zinc/09/51/36/345095136.db2.gz PBUDLRVTYHCMFN-MRVPVSSYSA-N 0 0 190.164 2.514 10 0 AFAERN CCc1ccc([C@@H]2CCC[N@@H+]2C)o1 306206201 345095378 /nfs/dbraw/zinc/09/53/78/345095378.db2.gz PYQZLCOQZFZPPO-JTQLQIEISA-N 0 0 179.263 2.609 10 0 AFAERN Cc1cc([C@@H](N)C(C)(F)F)cs1 306206464 345095670 /nfs/dbraw/zinc/09/56/70/345095670.db2.gz HKWYLOSJUKLNFG-SSDOTTSWSA-N 0 0 191.246 2.712 10 0 AFAERN Cc1cc([C@H](N)C(C)(F)F)cs1 306206466 345095752 /nfs/dbraw/zinc/09/57/52/345095752.db2.gz HKWYLOSJUKLNFG-ZETCQYMHSA-N 0 0 191.246 2.712 10 0 AFAERN C[C@@H](C(=O)c1ccco1)C(C)(F)F 306206650 345095880 /nfs/dbraw/zinc/09/58/80/345095880.db2.gz QDYWKWJLDWTTDY-LURJTMIESA-N 0 0 188.173 2.754 10 0 AFAERN CC(C)=CCNc1cccc(O)c1 306206541 345095895 /nfs/dbraw/zinc/09/58/95/345095895.db2.gz IKZOJPURTDIQIZ-UHFFFAOYSA-N 0 0 177.247 2.770 10 0 AFAERN C[C@H](C(=O)c1ccco1)C(C)(F)F 306206651 345095985 /nfs/dbraw/zinc/09/59/85/345095985.db2.gz QDYWKWJLDWTTDY-ZCFIWIBFSA-N 0 0 188.173 2.754 10 0 AFAERN Cc1ccc(N[C@H]2CC[C@H]2C)nc1 306207147 345096249 /nfs/dbraw/zinc/09/62/49/345096249.db2.gz XZRVDHJFYDPQGH-ZJUUUORDSA-N 0 0 176.263 2.600 10 0 AFAERN CCCNc1ncc(Cl)cc1C 306207400 345096259 /nfs/dbraw/zinc/09/62/59/345096259.db2.gz YBWFUHFUPPPZGA-UHFFFAOYSA-N 0 0 184.670 2.865 10 0 AFAERN Cc1ccc(N[C@@H]2CC[C@H]2C)nc1 306207129 345096497 /nfs/dbraw/zinc/09/64/97/345096497.db2.gz XZRVDHJFYDPQGH-NXEZZACHSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cc(-c2ccc(C=O)o2)sn1 306207117 345096329 /nfs/dbraw/zinc/09/63/29/345096329.db2.gz QNOCHUYEOYVNPY-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1ccc(N[C@@H]2CC[C@@H]2C)nc1 306207141 345096361 /nfs/dbraw/zinc/09/63/61/345096361.db2.gz XZRVDHJFYDPQGH-VHSXEESVSA-N 0 0 176.263 2.600 10 0 AFAERN C[Si](C)(C)[C@H]1CC[C@H](O)CC1 306207090 345096387 /nfs/dbraw/zinc/09/63/87/345096387.db2.gz XWKIUBABXSPXHC-KYZUINATSA-N 0 0 172.344 2.630 10 0 AFAERN Cc1ccc(N[C@H]2CC[C@@H]2C)nc1 306207135 345096420 /nfs/dbraw/zinc/09/64/20/345096420.db2.gz XZRVDHJFYDPQGH-UWVGGRQHSA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@@H](C)Nc1c(C)ccnc1C 306208112 345096990 /nfs/dbraw/zinc/09/69/90/345096990.db2.gz ZYCKUHBMDZNJDS-SECBINFHSA-N 0 0 178.279 2.909 10 0 AFAERN CC[C@H](C)Nc1c(C)ccnc1C 306208115 345097042 /nfs/dbraw/zinc/09/70/42/345097042.db2.gz ZYCKUHBMDZNJDS-VIFPVBQESA-N 0 0 178.279 2.909 10 0 AFAERN CC[C@]1(C)CCC[N@H+](CCF)CC1 306207528 345097047 /nfs/dbraw/zinc/09/70/47/345097047.db2.gz CQXCSRVDODGBCL-LLVKDONJSA-N 0 0 187.302 2.858 10 0 AFAERN C[C@H](O)C(=O)CC1CCC(C)(C)CC1 306207533 345097100 /nfs/dbraw/zinc/09/71/00/345097100.db2.gz CSJIRHWVMGKSGM-VIFPVBQESA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@@]1(C)CCC[N@H+](CCF)CC1 306207529 345097123 /nfs/dbraw/zinc/09/71/23/345097123.db2.gz CQXCSRVDODGBCL-NSHDSACASA-N 0 0 187.302 2.858 10 0 AFAERN Cc1nc2c(C)cc(Cl)cn2c1C 306208193 345097492 /nfs/dbraw/zinc/09/74/92/345097492.db2.gz FHPPVMFCQJMYQC-UHFFFAOYSA-N 0 0 194.665 2.913 10 0 AFAERN CC[C@H](NO)c1ccc(C)cc1C 306208190 345097610 /nfs/dbraw/zinc/09/76/10/345097610.db2.gz AZGHOCUYBWBLFB-NSHDSACASA-N 0 0 179.263 2.733 10 0 AFAERN C[C@H]1CC[C@H]1Nc1cccc(O)c1 306210924 345100616 /nfs/dbraw/zinc/10/06/16/345100616.db2.gz CHPBOUNKAPIUGN-GZMMTYOYSA-N 0 0 177.247 2.603 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1cccc(O)c1 306210944 345100724 /nfs/dbraw/zinc/10/07/24/345100724.db2.gz CHPBOUNKAPIUGN-LDYMZIIASA-N 0 0 177.247 2.603 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1cccc(O)c1 306210939 345100730 /nfs/dbraw/zinc/10/07/30/345100730.db2.gz CHPBOUNKAPIUGN-KWQFWETISA-N 0 0 177.247 2.603 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1cccc(O)c1 306210932 345100743 /nfs/dbraw/zinc/10/07/43/345100743.db2.gz CHPBOUNKAPIUGN-KCJUWKMLSA-N 0 0 177.247 2.603 10 0 AFAERN CC(C)[C@H](C)[C@H]1CCC(=O)[C@@H]1C 306212155 345101774 /nfs/dbraw/zinc/10/17/74/345101774.db2.gz KEZNWERPXZBXHR-IVZWLZJFSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)[C@H](C)[C@@H]1CCC(=O)[C@H]1C 306212150 345101977 /nfs/dbraw/zinc/10/19/77/345101977.db2.gz KEZNWERPXZBXHR-GUBZILKMSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)[C@H](C)[C@H]1CCC(=O)[C@H]1C 306212162 345102054 /nfs/dbraw/zinc/10/20/54/345102054.db2.gz KEZNWERPXZBXHR-LPEHRKFASA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)[C@H](C)[C@@H]1CCC(=O)[C@@H]1C 306212144 345102105 /nfs/dbraw/zinc/10/21/05/345102105.db2.gz KEZNWERPXZBXHR-AEJSXWLSSA-N 0 0 168.280 2.894 10 0 AFAERN N[C@H](c1ccsc1Cl)C(F)F 306212442 345102877 /nfs/dbraw/zinc/10/28/77/345102877.db2.gz VTUOTCHYTGYLQJ-SCSAIBSYSA-N 0 0 197.637 2.666 10 0 AFAERN N[C@@H](c1ccsc1Cl)C(F)F 306212441 345102897 /nfs/dbraw/zinc/10/28/97/345102897.db2.gz VTUOTCHYTGYLQJ-BYPYZUCNSA-N 0 0 197.637 2.666 10 0 AFAERN CC(C)(C)CC[C@@H]1COC(C)(C)C1=O 306213072 345103403 /nfs/dbraw/zinc/10/34/03/345103403.db2.gz WJQQSBFQJBYYHO-SECBINFHSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)(C)CC[C@H]1COC(C)(C)C1=O 306213073 345103460 /nfs/dbraw/zinc/10/34/60/345103460.db2.gz WJQQSBFQJBYYHO-VIFPVBQESA-N 0 0 198.306 2.807 10 0 AFAERN CC(F)(F)CC(=O)c1cccs1 306214383 345105255 /nfs/dbraw/zinc/10/52/55/345105255.db2.gz YPUSAYKCJMAWOC-UHFFFAOYSA-N 0 0 190.214 2.976 10 0 AFAERN CCCc1nnc([C@H]2CCCS2)o1 306215805 345106883 /nfs/dbraw/zinc/10/68/83/345106883.db2.gz BIEBGAHTTKHMHU-SSDOTTSWSA-N 0 0 198.291 2.590 10 0 AFAERN CCCc1nnc([C@@H]2CCCS2)o1 306215806 345107083 /nfs/dbraw/zinc/10/70/83/345107083.db2.gz BIEBGAHTTKHMHU-ZETCQYMHSA-N 0 0 198.291 2.590 10 0 AFAERN Cc1cc([C@@H]2NCCCS2)cs1 306216538 345108170 /nfs/dbraw/zinc/10/81/70/345108170.db2.gz CCFMDGSACGZLTA-SECBINFHSA-N 0 0 199.344 2.782 10 0 AFAERN Cc1cc([C@H]2NCCCS2)cs1 306216539 345108428 /nfs/dbraw/zinc/10/84/28/345108428.db2.gz CCFMDGSACGZLTA-VIFPVBQESA-N 0 0 199.344 2.782 10 0 AFAERN CSC(C)(C)c1noc(C2CC2)n1 306217092 345108876 /nfs/dbraw/zinc/10/88/76/345108876.db2.gz QAANDHIICPAVTQ-UHFFFAOYSA-N 0 0 198.291 2.545 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1ccc(O)c(F)c1 306217927 345109364 /nfs/dbraw/zinc/10/93/64/345109364.db2.gz DRNRBYKUHKIWSD-GMSGAONNSA-N 0 0 195.237 2.742 10 0 AFAERN C[C@@H]1C[C@H]1Nc1ncc(Cl)s1 306217847 345109451 /nfs/dbraw/zinc/10/94/51/345109451.db2.gz KNPUWNGSPVPQFV-RFZPGFLSSA-N 0 0 188.683 2.617 10 0 AFAERN C[C@H]1C[C@@H]1Nc1ncc(Cl)s1 306217849 345109463 /nfs/dbraw/zinc/10/94/63/345109463.db2.gz KNPUWNGSPVPQFV-WHFBIAKZSA-N 0 0 188.683 2.617 10 0 AFAERN C[C@H]1CC[C@H]1Nc1ccc(O)c(F)c1 306217928 345109550 /nfs/dbraw/zinc/10/95/50/345109550.db2.gz DRNRBYKUHKIWSD-OIBJUYFYSA-N 0 0 195.237 2.742 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1ccc(O)c(F)c1 306217929 345109552 /nfs/dbraw/zinc/10/95/52/345109552.db2.gz DRNRBYKUHKIWSD-XCBNKYQSSA-N 0 0 195.237 2.742 10 0 AFAERN C[C@H]1C[C@H]1Nc1ncc(Cl)s1 306217846 345109585 /nfs/dbraw/zinc/10/95/85/345109585.db2.gz KNPUWNGSPVPQFV-CRCLSJGQSA-N 0 0 188.683 2.617 10 0 AFAERN CC[C@H](C)C(=O)c1cc(N)ccc1F 306217824 345109634 /nfs/dbraw/zinc/10/96/34/345109634.db2.gz QYPHVVBMNYBGQX-ZETCQYMHSA-N 0 0 195.237 2.637 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1ncc(Cl)s1 306217848 345109642 /nfs/dbraw/zinc/10/96/42/345109642.db2.gz KNPUWNGSPVPQFV-UHNVWZDZSA-N 0 0 188.683 2.617 10 0 AFAERN CC[C@@H](C)C(=O)c1cc(N)ccc1F 306217822 345109658 /nfs/dbraw/zinc/10/96/58/345109658.db2.gz QYPHVVBMNYBGQX-SSDOTTSWSA-N 0 0 195.237 2.637 10 0 AFAERN Cc1ccc(Cl)c(N[C@@H]2C[C@@H]2C)n1 306218177 345110097 /nfs/dbraw/zinc/11/00/97/345110097.db2.gz LIXHDCQDQHFOJG-IMTBSYHQSA-N 0 0 196.681 2.864 10 0 AFAERN Cc1ccc(Cl)c(N[C@@H]2C[C@H]2C)n1 306218176 345110128 /nfs/dbraw/zinc/11/01/28/345110128.db2.gz LIXHDCQDQHFOJG-HZGVNTEJSA-N 0 0 196.681 2.864 10 0 AFAERN Cc1ccc(Cl)c(N[C@H]2C[C@@H]2C)n1 306218179 345110250 /nfs/dbraw/zinc/11/02/50/345110250.db2.gz LIXHDCQDQHFOJG-RCOVLWMOSA-N 0 0 196.681 2.864 10 0 AFAERN Cc1ccc(Cl)c(N[C@H]2C[C@H]2C)n1 306218178 345110302 /nfs/dbraw/zinc/11/03/02/345110302.db2.gz LIXHDCQDQHFOJG-MUWHJKNJSA-N 0 0 196.681 2.864 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1ccc(O)c(F)c1 306217930 345110337 /nfs/dbraw/zinc/11/03/37/345110337.db2.gz DRNRBYKUHKIWSD-XVKPBYJWSA-N 0 0 195.237 2.742 10 0 AFAERN CC(C)=CC(=O)OC1(C)CCCC1 306218718 345110764 /nfs/dbraw/zinc/11/07/64/345110764.db2.gz LWVRMAVYGZELTB-UHFFFAOYSA-N 0 0 182.263 2.829 10 0 AFAERN CC[C@@H]1CC[C@H](C)N(C(=O)C(C)C)C1 306218722 345110793 /nfs/dbraw/zinc/11/07/93/345110793.db2.gz LWWWRXKSFFQZPX-WDEREUQCSA-N 0 0 197.322 2.680 10 0 AFAERN CC1(C)CC[C@]1(O)Cc1ccccc1 306219159 345111132 /nfs/dbraw/zinc/11/11/32/345111132.db2.gz GCSDJEZSMNNPFM-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN Cc1ncccc1N[C@H]1CCC1(C)C 306219195 345111502 /nfs/dbraw/zinc/11/15/02/345111502.db2.gz GHDMXYWNUDRNKG-NSHDSACASA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ncccc1N[C@@H]1CCC1(C)C 306219194 345111552 /nfs/dbraw/zinc/11/15/52/345111552.db2.gz GHDMXYWNUDRNKG-LLVKDONJSA-N 0 0 190.290 2.991 10 0 AFAERN CC1(C)CC[C@@]1(O)Cc1ccccc1 306219158 345111631 /nfs/dbraw/zinc/11/16/31/345111631.db2.gz GCSDJEZSMNNPFM-CYBMUJFWSA-N 0 0 190.286 2.780 10 0 AFAERN Fc1cccc(Cl)c1CN1CCC1 306219636 345111870 /nfs/dbraw/zinc/11/18/70/345111870.db2.gz GTEUYZNGNZWNTM-UHFFFAOYSA-N 0 0 199.656 2.685 10 0 AFAERN N#CN[C@H]1CCCC12CCCCC2 306219333 345112056 /nfs/dbraw/zinc/11/20/56/345112056.db2.gz STMIPKSWWXLNJA-JTQLQIEISA-N 0 0 178.279 2.560 10 0 AFAERN N#CN[C@@H]1CCCC12CCCCC2 306219335 345112147 /nfs/dbraw/zinc/11/21/47/345112147.db2.gz STMIPKSWWXLNJA-SNVBAGLBSA-N 0 0 178.279 2.560 10 0 AFAERN COc1ccc(N)cc1SC(C)C 306219754 345112674 /nfs/dbraw/zinc/11/26/74/345112674.db2.gz UCUBZUGLUSBVPT-UHFFFAOYSA-N 0 0 197.303 2.778 10 0 AFAERN CC1(C)COC[C@H]1Nc1ccsc1 306220269 345113025 /nfs/dbraw/zinc/11/30/25/345113025.db2.gz HJXDDBSQYXTUHH-SECBINFHSA-N 0 0 197.303 2.585 10 0 AFAERN CN1CC[C@H]1c1ccc(Cl)cc1 306220258 345113085 /nfs/dbraw/zinc/11/30/85/345113085.db2.gz USBATSFWOOMJNC-JTQLQIEISA-N 0 0 181.666 2.717 10 0 AFAERN CC1(C)COC[C@@H]1Nc1ccsc1 306220270 345113123 /nfs/dbraw/zinc/11/31/23/345113123.db2.gz HJXDDBSQYXTUHH-VIFPVBQESA-N 0 0 197.303 2.585 10 0 AFAERN CN1CC[C@@H]1c1ccc(Cl)cc1 306220259 345113244 /nfs/dbraw/zinc/11/32/44/345113244.db2.gz USBATSFWOOMJNC-SNVBAGLBSA-N 0 0 181.666 2.717 10 0 AFAERN CCC(=O)C(C)(C)C1CCC1 306220644 345113672 /nfs/dbraw/zinc/11/36/72/345113672.db2.gz VCXFSSDHLKVERE-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN C=Cc1nc(C2(C)CCCC2)no1 306220740 345113820 /nfs/dbraw/zinc/11/38/20/345113820.db2.gz IHVMOEDABCMVSN-UHFFFAOYSA-N 0 0 178.235 2.544 10 0 AFAERN CCc1cc(C)sc1[C@H](C)O 306221449 345114202 /nfs/dbraw/zinc/11/42/02/345114202.db2.gz UILHICOYKGUXMI-ZETCQYMHSA-N 0 0 170.277 2.672 10 0 AFAERN O=C1CC[C@H](CCC2CCOCC2)C1 306222124 345114715 /nfs/dbraw/zinc/11/47/15/345114715.db2.gz QLKQVRRFZWXYET-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN O=C1CC[C@@H](CCC2CCOCC2)C1 306222122 345114806 /nfs/dbraw/zinc/11/48/06/345114806.db2.gz QLKQVRRFZWXYET-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN CC[C@@H](C)Cn1ccc(Cl)n1 306222163 345114824 /nfs/dbraw/zinc/11/48/24/345114824.db2.gz QNUSKGCGZXNMCE-SSDOTTSWSA-N 0 0 172.659 2.583 10 0 AFAERN FC(F)CNc1noc2ccccc12 306222214 345114853 /nfs/dbraw/zinc/11/48/53/345114853.db2.gz QPVKJWLFZDLDOT-UHFFFAOYSA-N 0 0 198.172 2.505 10 0 AFAERN C[C@H]1CC[C@]1(O)Cc1ccccc1F 306221865 345114956 /nfs/dbraw/zinc/11/49/56/345114956.db2.gz JSRBAXCQNVMEIY-CABZTGNLSA-N 0 0 194.249 2.529 10 0 AFAERN CC(C)(C)SCc1ncccn1 306222503 345115429 /nfs/dbraw/zinc/11/54/29/345115429.db2.gz WYUMCKZAXMBPHK-UHFFFAOYSA-N 0 0 182.292 2.508 10 0 AFAERN c1c[nH]c(CSC2CCCCC2)n1 306223263 345115782 /nfs/dbraw/zinc/11/57/82/345115782.db2.gz RVRUYGJUEAKBLK-UHFFFAOYSA-N 0 0 196.319 2.976 10 0 AFAERN C[C@@H]1C[C@@H](Nc2ccccn2)[C@@H]1C 306223220 345115858 /nfs/dbraw/zinc/11/58/58/345115858.db2.gz RQKGIJGIKTVWEN-OPRDCNLKSA-N 0 0 176.263 2.538 10 0 AFAERN C[C@@H]1C[C@H](Nc2ccccn2)[C@@H]1C 306223218 345115870 /nfs/dbraw/zinc/11/58/70/345115870.db2.gz RQKGIJGIKTVWEN-BBBLOLIVSA-N 0 0 176.263 2.538 10 0 AFAERN C[C@H]1[C@H](C)C[C@H]1Nc1ccccn1 306223219 345115899 /nfs/dbraw/zinc/11/58/99/345115899.db2.gz RQKGIJGIKTVWEN-KXUCPTDWSA-N 0 0 176.263 2.538 10 0 AFAERN C[C@@H]1[C@@H](Nc2ccccn2)C[C@H]1C 306223221 345115923 /nfs/dbraw/zinc/11/59/23/345115923.db2.gz RQKGIJGIKTVWEN-UTLUCORTSA-N 0 0 176.263 2.538 10 0 AFAERN CC(C)=CCNc1c(C)noc1C 306223649 345116338 /nfs/dbraw/zinc/11/63/38/345116338.db2.gz SJFQHGSMQYBFAI-UHFFFAOYSA-N 0 0 180.251 2.670 10 0 AFAERN C[C@@H]1C[C@@H](C)CC(O)(c2ccc[nH]2)C1 306224430 345117592 /nfs/dbraw/zinc/11/75/92/345117592.db2.gz TYZFXJMUIPOPIM-NXEZZACHSA-N 0 0 193.290 2.658 10 0 AFAERN C[C@H]1C[C@H](C)CC(O)(c2ccc[nH]2)C1 306224436 345117623 /nfs/dbraw/zinc/11/76/23/345117623.db2.gz TYZFXJMUIPOPIM-UWVGGRQHSA-N 0 0 193.290 2.658 10 0 AFAERN C[C@@H]1CSC(SCC2CC2)=N1 306224723 345117720 /nfs/dbraw/zinc/11/77/20/345117720.db2.gz DYXQUONLVKRXGD-ZCFIWIBFSA-N 0 0 187.333 2.621 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@](O)(c2ccc[nH]2)C1 306224433 345117774 /nfs/dbraw/zinc/11/77/74/345117774.db2.gz TYZFXJMUIPOPIM-PEGIJTEDSA-N 0 0 193.290 2.658 10 0 AFAERN C[C@H]1CSC(SCC2CC2)=N1 306224721 345117810 /nfs/dbraw/zinc/11/78/10/345117810.db2.gz DYXQUONLVKRXGD-LURJTMIESA-N 0 0 187.333 2.621 10 0 AFAERN CCC1([C@H](O)c2[nH]cc(C)c2C)CC1 306224824 345118308 /nfs/dbraw/zinc/11/83/08/345118308.db2.gz LCWPFRJVBGDCAF-LLVKDONJSA-N 0 0 193.290 2.855 10 0 AFAERN CCC1([C@@H](O)c2[nH]cc(C)c2C)CC1 306224831 345118346 /nfs/dbraw/zinc/11/83/46/345118346.db2.gz LCWPFRJVBGDCAF-NSHDSACASA-N 0 0 193.290 2.855 10 0 AFAERN CCC[C@]1(C(F)(F)F)CCCN1C 306225331 345118954 /nfs/dbraw/zinc/11/89/54/345118954.db2.gz LOXCNLGXEFBYCX-MRVPVSSYSA-N 0 0 195.228 2.813 10 0 AFAERN CCC[C@@]1(C(F)(F)F)CCCN1C 306225355 345118968 /nfs/dbraw/zinc/11/89/68/345118968.db2.gz LOXCNLGXEFBYCX-QMMMGPOBSA-N 0 0 195.228 2.813 10 0 AFAERN CC[C@@H]1CCN1Cc1ccc(Cl)o1 306227638 345120492 /nfs/dbraw/zinc/12/04/92/345120492.db2.gz GXNMZCDPHJEMBB-MRVPVSSYSA-N 0 0 199.681 2.917 10 0 AFAERN CCN(CC)c1ccncc1Cl 306227186 345120499 /nfs/dbraw/zinc/12/04/99/345120499.db2.gz GVCVBNJKVRCJKZ-UHFFFAOYSA-N 0 0 184.670 2.581 10 0 AFAERN CC[C@H]1CCN1Cc1ccc(Cl)o1 306227639 345120699 /nfs/dbraw/zinc/12/06/99/345120699.db2.gz GXNMZCDPHJEMBB-QMMMGPOBSA-N 0 0 199.681 2.917 10 0 AFAERN C[C@@H](CC1CCCC1)Nc1c[nH]cn1 306227945 345121186 /nfs/dbraw/zinc/12/11/86/345121186.db2.gz XANQMHSYFKRAPI-VIFPVBQESA-N 0 0 193.294 2.790 10 0 AFAERN C[C@H](CC1CCCC1)Nc1c[nH]cn1 306227944 345121337 /nfs/dbraw/zinc/12/13/37/345121337.db2.gz XANQMHSYFKRAPI-SECBINFHSA-N 0 0 193.294 2.790 10 0 AFAERN Cc1cscc1NCC1CC1 306228718 345122162 /nfs/dbraw/zinc/12/21/62/345122162.db2.gz XULYMIWSEGYUIS-UHFFFAOYSA-N 0 0 167.277 2.878 10 0 AFAERN Cc1cncc(N[C@@H]2CC[C@@H]3C[C@@H]32)c1 306229568 345123201 /nfs/dbraw/zinc/12/32/01/345123201.db2.gz YNQFONPEXYPTNR-ADEWGFFLSA-N 0 0 188.274 2.600 10 0 AFAERN CC(C)Nc1cccc(N)c1Cl 306230415 345123431 /nfs/dbraw/zinc/12/34/31/345123431.db2.gz HMDLQOCKBQUWBS-UHFFFAOYSA-N 0 0 184.670 2.743 10 0 AFAERN Oc1ccccc1S[C@@H]1CCCO1 306230133 345123437 /nfs/dbraw/zinc/12/34/37/345123437.db2.gz JACGATMGUZVRER-SNVBAGLBSA-N 0 0 196.271 2.621 10 0 AFAERN Oc1ccccc1S[C@H]1CCCO1 306230131 345123598 /nfs/dbraw/zinc/12/35/98/345123598.db2.gz JACGATMGUZVRER-JTQLQIEISA-N 0 0 196.271 2.621 10 0 AFAERN CC1(C(=O)[C@@]2(C)CCCS2)CC1 306231228 345124837 /nfs/dbraw/zinc/12/48/37/345124837.db2.gz JTNXCSVYMDKPEZ-SNVBAGLBSA-N 0 0 184.304 2.641 10 0 AFAERN CC1(C(=O)[C@]2(C)CCCS2)CC1 306231225 345124840 /nfs/dbraw/zinc/12/48/40/345124840.db2.gz JTNXCSVYMDKPEZ-JTQLQIEISA-N 0 0 184.304 2.641 10 0 AFAERN CCCCNc1cc2cc[nH]c2cn1 306233180 345126405 /nfs/dbraw/zinc/12/64/05/345126405.db2.gz MRTPLCGCGUUNDV-UHFFFAOYSA-N 0 0 189.262 2.775 10 0 AFAERN CC1(CC(=O)C(C)(F)F)CCC1 306233970 345126985 /nfs/dbraw/zinc/12/69/85/345126985.db2.gz NBZHMMYYQFBJCL-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN C[C@]1(c2c(F)cccc2Cl)CO1 306234667 345127607 /nfs/dbraw/zinc/12/76/07/345127607.db2.gz GEJVUEOPCNZBBD-SECBINFHSA-N 0 0 186.613 2.725 10 0 AFAERN C[C@@]1(c2c(F)cccc2Cl)CO1 306234668 345127735 /nfs/dbraw/zinc/12/77/35/345127735.db2.gz GEJVUEOPCNZBBD-VIFPVBQESA-N 0 0 186.613 2.725 10 0 AFAERN FCCCNc1ccc(Cl)cn1 306235484 345128593 /nfs/dbraw/zinc/12/85/93/345128593.db2.gz KPNGLKLXUUZGLM-UHFFFAOYSA-N 0 0 188.633 2.507 10 0 AFAERN CCC(=O)CC1(C)CCCC1 306235805 345128634 /nfs/dbraw/zinc/12/86/34/345128634.db2.gz ONCNTRPOBBBYQQ-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN C[C@@H]1c2cccc(N)c2CC1(C)C 306235760 345128724 /nfs/dbraw/zinc/12/87/24/345128724.db2.gz OHYUBVUNKRZXCE-MRVPVSSYSA-N 0 0 175.275 2.955 10 0 AFAERN C[C@H]1c2cccc(N)c2CC1(C)C 306235761 345128768 /nfs/dbraw/zinc/12/87/68/345128768.db2.gz OHYUBVUNKRZXCE-QMMMGPOBSA-N 0 0 175.275 2.955 10 0 AFAERN CC(C)C[C@@H](C)C1(O)CCCC1 306235453 345128872 /nfs/dbraw/zinc/12/88/72/345128872.db2.gz KIUKWXVCNWIQKN-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN COc1nc2c(C)c(Cl)ccc2[nH]1 306236363 345129190 /nfs/dbraw/zinc/12/91/90/345129190.db2.gz HGUAEVXZDVPDOL-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN CC[C@H](O)[C@H]1CC[C@H](CC)CC1 306237294 345129911 /nfs/dbraw/zinc/12/99/11/345129911.db2.gz OOMVNHJOSRPZGT-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](O)[C@H]1CC[C@H](CC)CC1 306237296 345129921 /nfs/dbraw/zinc/12/99/21/345129921.db2.gz OOMVNHJOSRPZGT-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(C2(O)CCCCC2)nc1 306237680 345130260 /nfs/dbraw/zinc/13/02/60/345130260.db2.gz IKCDRCQDAICVLG-UHFFFAOYSA-N 0 0 191.274 2.542 10 0 AFAERN Cc1c(N)cccc1N[C@H]1CC[C@@H]1C 306237441 345130262 /nfs/dbraw/zinc/13/02/62/345130262.db2.gz PDORHPZXBQMBIO-KWQFWETISA-N 0 0 190.290 2.788 10 0 AFAERN Cc1c(N)cccc1N[C@@H]1CC[C@H]1C 306237443 345130265 /nfs/dbraw/zinc/13/02/65/345130265.db2.gz PDORHPZXBQMBIO-LDYMZIIASA-N 0 0 190.290 2.788 10 0 AFAERN Cc1c(N)cccc1N[C@@H]1CC[C@@H]1C 306237438 345130307 /nfs/dbraw/zinc/13/03/07/345130307.db2.gz PDORHPZXBQMBIO-GZMMTYOYSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1c(N)cccc1N[C@H]1CC[C@H]1C 306237440 345130328 /nfs/dbraw/zinc/13/03/28/345130328.db2.gz PDORHPZXBQMBIO-KCJUWKMLSA-N 0 0 190.290 2.788 10 0 AFAERN CC(C)(c1csc(N)n1)C1CCC1 306237969 345131010 /nfs/dbraw/zinc/13/10/10/345131010.db2.gz PEUIDZZMLUAZNN-UHFFFAOYSA-N 0 0 196.319 2.803 10 0 AFAERN CC1(C)CC(Nc2ccccn2)C1 306240676 345133227 /nfs/dbraw/zinc/13/32/27/345133227.db2.gz UJMQYGQNJDXTLV-UHFFFAOYSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@H]1CCNc2cc(F)cc(F)c21 306241230 345133855 /nfs/dbraw/zinc/13/38/55/345133855.db2.gz HTKFEXQFRFJXFH-LURJTMIESA-N 0 0 183.201 2.884 10 0 AFAERN C[C@@H]1CCNc2cc(F)cc(F)c21 306241237 345133871 /nfs/dbraw/zinc/13/38/71/345133871.db2.gz HTKFEXQFRFJXFH-ZCFIWIBFSA-N 0 0 183.201 2.884 10 0 AFAERN CSc1ccncc1NCC(C)C 306241368 345133897 /nfs/dbraw/zinc/13/38/97/345133897.db2.gz KYFWJBRYCZNLGL-UHFFFAOYSA-N 0 0 196.319 2.871 10 0 AFAERN Cc1cc([C@H]2[C@@H](CO)C2(C)C)cs1 306243810 345135838 /nfs/dbraw/zinc/13/58/38/345135838.db2.gz TWAFRRONHHRCPQ-ZJUUUORDSA-N 0 0 196.315 2.788 10 0 AFAERN CC(C)(C)C(C)(C)Nc1cccnn1 306244233 345135895 /nfs/dbraw/zinc/13/58/95/345135895.db2.gz XDWZWRHYOURZSO-UHFFFAOYSA-N 0 0 193.294 2.713 10 0 AFAERN Cc1cc([C@H]2[C@H](CO)C2(C)C)cs1 306243787 345136076 /nfs/dbraw/zinc/13/60/76/345136076.db2.gz TWAFRRONHHRCPQ-UWVGGRQHSA-N 0 0 196.315 2.788 10 0 AFAERN Cc1cc([C@@H]2[C@@H](CO)C2(C)C)cs1 306243777 345136083 /nfs/dbraw/zinc/13/60/83/345136083.db2.gz TWAFRRONHHRCPQ-NXEZZACHSA-N 0 0 196.315 2.788 10 0 AFAERN C[C@H]1C[C@H](C)[NH+]1Cc1ccsc1 306243915 345136123 /nfs/dbraw/zinc/13/61/23/345136123.db2.gz MVRZILRANFQQEW-IUCAKERBSA-N 0 0 181.304 2.731 10 0 AFAERN Cc1cc([C@@H]2[C@H](CO)C2(C)C)cs1 306243799 345136178 /nfs/dbraw/zinc/13/61/78/345136178.db2.gz TWAFRRONHHRCPQ-VHSXEESVSA-N 0 0 196.315 2.788 10 0 AFAERN Clc1nc(C(C2CC2)C2CC2)no1 306245873 345137489 /nfs/dbraw/zinc/13/74/89/345137489.db2.gz ZSQWMEKWUHUCKO-UHFFFAOYSA-N 0 0 198.653 2.627 10 0 AFAERN Cc1cc(F)cc([C@H](F)C(C)(C)[NH3+])c1 306246240 345138092 /nfs/dbraw/zinc/13/80/92/345138092.db2.gz NYFJOKONDOYWJI-JTQLQIEISA-N 0 0 199.244 2.882 10 0 AFAERN Cc1cc(F)cc([C@@H](F)C(C)(C)[NH3+])c1 306246241 345138118 /nfs/dbraw/zinc/13/81/18/345138118.db2.gz NYFJOKONDOYWJI-SNVBAGLBSA-N 0 0 199.244 2.882 10 0 AFAERN CC(C)(C)SCC1CCOCC1 306246880 345138743 /nfs/dbraw/zinc/13/87/43/345138743.db2.gz OKHQUJWEFQROFQ-UHFFFAOYSA-N 0 0 188.336 2.945 10 0 AFAERN CC1(C)CC[C@H]1n1cc[nH]c1=S 306246927 345138862 /nfs/dbraw/zinc/13/88/62/345138862.db2.gz OSTLGPHROFWFRH-SSDOTTSWSA-N 0 0 182.292 2.533 10 0 AFAERN CC1(C)CC[C@@H]1n1cc[nH]c1=S 306246929 345138888 /nfs/dbraw/zinc/13/88/88/345138888.db2.gz OSTLGPHROFWFRH-ZETCQYMHSA-N 0 0 182.292 2.533 10 0 AFAERN Clc1ccnc(CC2CCCC2)n1 306246629 345138951 /nfs/dbraw/zinc/13/89/51/345138951.db2.gz DHNPBVYPBMSTBU-UHFFFAOYSA-N 0 0 196.681 2.863 10 0 AFAERN Clc1nnc(C(C2CC2)C2CC2)o1 306247378 345139021 /nfs/dbraw/zinc/13/90/21/345139021.db2.gz SMWJPWBVBHQNDI-UHFFFAOYSA-N 0 0 198.653 2.627 10 0 AFAERN OCC1(SC2CC2)CCCCC1 306247706 345139212 /nfs/dbraw/zinc/13/92/12/345139212.db2.gz WDDXTSUWIUJBHN-UHFFFAOYSA-N 0 0 186.320 2.577 10 0 AFAERN C[C@@H]1CCCC[C@]1(O)c1cscn1 306247793 345139296 /nfs/dbraw/zinc/13/92/96/345139296.db2.gz WPMZHYICZPJRKE-PSASIEDQSA-N 0 0 197.303 2.541 10 0 AFAERN CSc1ccc(NCC2CC2)nc1 306247515 345139369 /nfs/dbraw/zinc/13/93/69/345139369.db2.gz PBVUPSWSLIRXNC-UHFFFAOYSA-N 0 0 194.303 2.625 10 0 AFAERN C[C@H]1CCCC[C@]1(O)c1cscn1 306247795 345139431 /nfs/dbraw/zinc/13/94/31/345139431.db2.gz WPMZHYICZPJRKE-WCBMZHEXSA-N 0 0 197.303 2.541 10 0 AFAERN C[C@@H]1CCCC[C@@]1(O)c1cscn1 306247794 345139521 /nfs/dbraw/zinc/13/95/21/345139521.db2.gz WPMZHYICZPJRKE-SCZZXKLOSA-N 0 0 197.303 2.541 10 0 AFAERN C=Cc1nc(C2(C)CCCCC2)no1 306248069 345139890 /nfs/dbraw/zinc/13/98/90/345139890.db2.gz WUWQFPIBKQHSBQ-UHFFFAOYSA-N 0 0 192.262 2.934 10 0 AFAERN CC1(C)CC[C@H]1Nc1ccnc(F)c1 306248874 345140795 /nfs/dbraw/zinc/14/07/95/345140795.db2.gz QRLOVCFVWQYEHB-SECBINFHSA-N 0 0 194.253 2.821 10 0 AFAERN CC1(C)CC[C@@H]1Nc1ccnc(F)c1 306248875 345141101 /nfs/dbraw/zinc/14/11/01/345141101.db2.gz QRLOVCFVWQYEHB-VIFPVBQESA-N 0 0 194.253 2.821 10 0 AFAERN CC(C)S[C@@]1(C)CCC[C@]1(C)O 306249649 345141545 /nfs/dbraw/zinc/14/15/45/345141545.db2.gz YAPDEUHUTJSPRG-UWVGGRQHSA-N 0 0 188.336 2.822 10 0 AFAERN CC(C)S[C@]1(C)CCC[C@]1(C)O 306249654 345141580 /nfs/dbraw/zinc/14/15/80/345141580.db2.gz YAPDEUHUTJSPRG-VHSXEESVSA-N 0 0 188.336 2.822 10 0 AFAERN CC(C)S[C@@]1(C)CCC[C@@]1(C)O 306249660 345141582 /nfs/dbraw/zinc/14/15/82/345141582.db2.gz YAPDEUHUTJSPRG-ZJUUUORDSA-N 0 0 188.336 2.822 10 0 AFAERN CC(C)S[C@]1(C)CCC[C@@]1(C)O 306249645 345141651 /nfs/dbraw/zinc/14/16/51/345141651.db2.gz YAPDEUHUTJSPRG-NXEZZACHSA-N 0 0 188.336 2.822 10 0 AFAERN C[C@@H](c1cnc(N)s1)C(C)(C)C 306249885 345141944 /nfs/dbraw/zinc/14/19/44/345141944.db2.gz WTFATFBUJFIJLV-LURJTMIESA-N 0 0 184.308 2.875 10 0 AFAERN C[C@H](c1cnc(N)s1)C(C)(C)C 306249886 345141998 /nfs/dbraw/zinc/14/19/98/345141998.db2.gz WTFATFBUJFIJLV-ZCFIWIBFSA-N 0 0 184.308 2.875 10 0 AFAERN CCSc1c(N)cccc1F 306250457 345142069 /nfs/dbraw/zinc/14/20/69/345142069.db2.gz XSOBESWEYUHYNF-UHFFFAOYSA-N 0 0 171.240 2.520 10 0 AFAERN CC(C)[C@@H]1CC[C@H]1Nc1ccccn1 306251280 345142978 /nfs/dbraw/zinc/14/29/78/345142978.db2.gz SVXQZZPDIRYTMJ-WDEREUQCSA-N 0 0 190.290 2.928 10 0 AFAERN CC(C)[C@@H]1CC[C@@H]1Nc1ccccn1 306251279 345142987 /nfs/dbraw/zinc/14/29/87/345142987.db2.gz SVXQZZPDIRYTMJ-QWRGUYRKSA-N 0 0 190.290 2.928 10 0 AFAERN CC(C)[C@H]1CC[C@H]1Nc1ccccn1 306251276 345143147 /nfs/dbraw/zinc/14/31/47/345143147.db2.gz SVXQZZPDIRYTMJ-GHMZBOCLSA-N 0 0 190.290 2.928 10 0 AFAERN CC1(c2nc(Cl)n[nH]2)CCCCC1 306251216 345143239 /nfs/dbraw/zinc/14/32/39/345143239.db2.gz ZPZKBIUEYRABEK-UHFFFAOYSA-N 0 0 199.685 2.680 10 0 AFAERN Cc1ccc(CC(=O)C(C)(C)F)cc1 306251886 345143603 /nfs/dbraw/zinc/14/36/03/345143603.db2.gz LPVHSSAFLBHJON-UHFFFAOYSA-N 0 0 194.249 2.855 10 0 AFAERN CCCC1=C[C@H](O)C[C@H](C)C1 306254190 345145485 /nfs/dbraw/zinc/14/54/85/345145485.db2.gz UJQVGYSQCFPDSY-PSASIEDQSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1sccc1[C@H]1NCCCS1 306254483 345145817 /nfs/dbraw/zinc/14/58/17/345145817.db2.gz OFCQOOPUJOMUMT-VIFPVBQESA-N 0 0 199.344 2.782 10 0 AFAERN Cc1cccc(C)c1C(=O)C(F)F 306254252 345145826 /nfs/dbraw/zinc/14/58/26/345145826.db2.gz WFNXBVQFLYLGOV-UHFFFAOYSA-N 0 0 184.185 2.751 10 0 AFAERN Cc1ccc([C@@]2(O)CC[C@H]2C)cc1C 306254435 345145856 /nfs/dbraw/zinc/14/58/56/345145856.db2.gz NZPUCBCRFMFTEI-DGCLKSJQSA-N 0 0 190.286 2.921 10 0 AFAERN CCCC1=C[C@@H](O)C[C@@H](C)C1 306254636 345145879 /nfs/dbraw/zinc/14/58/79/345145879.db2.gz UJQVGYSQCFPDSY-WPRPVWTQSA-N 0 0 154.253 2.504 10 0 AFAERN CCCC1=C[C@H](O)C[C@@H](C)C1 306254630 345145898 /nfs/dbraw/zinc/14/58/98/345145898.db2.gz UJQVGYSQCFPDSY-WCBMZHEXSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1sccc1[C@@H]1NCCCS1 306254482 345145906 /nfs/dbraw/zinc/14/59/06/345145906.db2.gz OFCQOOPUJOMUMT-SECBINFHSA-N 0 0 199.344 2.782 10 0 AFAERN Cc1ccc([C@@]2(O)CC[C@@H]2C)cc1C 306254436 345145928 /nfs/dbraw/zinc/14/59/28/345145928.db2.gz NZPUCBCRFMFTEI-WCQYABFASA-N 0 0 190.286 2.921 10 0 AFAERN CCCC1=C[C@@H](O)C[C@H](C)C1 306254191 345145936 /nfs/dbraw/zinc/14/59/36/345145936.db2.gz UJQVGYSQCFPDSY-SCZZXKLOSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1ccc([C@]2(O)CC[C@@H]2C)cc1C 306254434 345145946 /nfs/dbraw/zinc/14/59/46/345145946.db2.gz NZPUCBCRFMFTEI-AAEUAGOBSA-N 0 0 190.286 2.921 10 0 AFAERN Cc1ccc([C@]2(O)CC[C@H]2C)cc1C 306254437 345146020 /nfs/dbraw/zinc/14/60/20/345146020.db2.gz NZPUCBCRFMFTEI-YPMHNXCESA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@H](C)Nc1c(N)c[nH+]cc1Cl 306255112 345146454 /nfs/dbraw/zinc/14/64/54/345146454.db2.gz SJKUIXSUHGLIEZ-LURJTMIESA-N 0 0 199.685 2.528 10 0 AFAERN CC[C@@H](C)Nc1c(N)c[nH+]cc1Cl 306255113 345146517 /nfs/dbraw/zinc/14/65/17/345146517.db2.gz SJKUIXSUHGLIEZ-ZCFIWIBFSA-N 0 0 199.685 2.528 10 0 AFAERN C[C@@H](Nc1ccccn1)[C@@H]1CC1(C)C 306255711 345146914 /nfs/dbraw/zinc/14/69/14/345146914.db2.gz XKCRUUBNEPQJDB-ZJUUUORDSA-N 0 0 190.290 2.928 10 0 AFAERN C[C@@H](Nc1ccccn1)[C@H]1CC1(C)C 306255708 345147008 /nfs/dbraw/zinc/14/70/08/345147008.db2.gz XKCRUUBNEPQJDB-NXEZZACHSA-N 0 0 190.290 2.928 10 0 AFAERN C[C@H](Nc1ccccn1)[C@@H]1CC1(C)C 306255709 345147127 /nfs/dbraw/zinc/14/71/27/345147127.db2.gz XKCRUUBNEPQJDB-UWVGGRQHSA-N 0 0 190.290 2.928 10 0 AFAERN C[C@H](Nc1ccccn1)[C@H]1CC1(C)C 306255710 345147158 /nfs/dbraw/zinc/14/71/58/345147158.db2.gz XKCRUUBNEPQJDB-VHSXEESVSA-N 0 0 190.290 2.928 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1[C@H](C)C(C)C 306256715 345147563 /nfs/dbraw/zinc/14/75/63/345147563.db2.gz ZHWMHNHEFDWZMG-QNSHHTMESA-N 0 0 154.253 2.504 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1[C@H](C)C(C)C 306256714 345147629 /nfs/dbraw/zinc/14/76/29/345147629.db2.gz ZHWMHNHEFDWZMG-JEZHCXPESA-N 0 0 154.253 2.504 10 0 AFAERN CC(F)(F)C(=O)C1CCCCC1 306256288 345147664 /nfs/dbraw/zinc/14/76/64/345147664.db2.gz XRHHXPOBABAPRD-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1[C@@H](C)C(C)C 306256713 345147685 /nfs/dbraw/zinc/14/76/85/345147685.db2.gz ZHWMHNHEFDWZMG-HGNGGELXSA-N 0 0 154.253 2.504 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1[C@@H](C)C(C)C 306256716 345148177 /nfs/dbraw/zinc/14/81/77/345148177.db2.gz ZHWMHNHEFDWZMG-SFGNSQDASA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H](Nc1cccnc1)[C@@H]1C[C@H]1C 306258685 345149162 /nfs/dbraw/zinc/14/91/62/345149162.db2.gz RBVSVWJKRHIEGV-WCABBAIRSA-N 0 0 176.263 2.538 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](C)Nc1cccnc1 306258682 345149282 /nfs/dbraw/zinc/14/92/82/345149282.db2.gz RBVSVWJKRHIEGV-KKZNHRDASA-N 0 0 176.263 2.538 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](C)Nc1cccnc1 306258678 345149405 /nfs/dbraw/zinc/14/94/05/345149405.db2.gz RBVSVWJKRHIEGV-FXPVBKGRSA-N 0 0 176.263 2.538 10 0 AFAERN C[C@H](Nc1cccnc1)[C@H]1C[C@H]1C 306258688 345149481 /nfs/dbraw/zinc/14/94/81/345149481.db2.gz RBVSVWJKRHIEGV-YWVKMMECSA-N 0 0 176.263 2.538 10 0 AFAERN CC[C@H](Nc1cccc(N)c1)C1CC1 306259137 345149725 /nfs/dbraw/zinc/14/97/25/345149725.db2.gz ZRFVASSAYXCUSI-LBPRGKRZSA-N 0 0 190.290 2.869 10 0 AFAERN CC[C@@H](Nc1cccc(N)c1)C1CC1 306259136 345149734 /nfs/dbraw/zinc/14/97/34/345149734.db2.gz ZRFVASSAYXCUSI-GFCCVEGCSA-N 0 0 190.290 2.869 10 0 AFAERN Cc1coc(N[C@@H](C)C2CCC2)n1 306261753 345152367 /nfs/dbraw/zinc/15/23/67/345152367.db2.gz LHMKCMVDQLIRCE-QMMMGPOBSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1ccncc1N[C@H]1CC[C@@H]1C 306262844 345153185 /nfs/dbraw/zinc/15/31/85/345153185.db2.gz XXTODGRVOIKQPX-WPRPVWTQSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1ccncc1N[C@@H]1CC[C@@H]1C 306262834 345153323 /nfs/dbraw/zinc/15/33/23/345153323.db2.gz XXTODGRVOIKQPX-WCBMZHEXSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1ccncc1N[C@H]1CC[C@H]1C 306262827 345153340 /nfs/dbraw/zinc/15/33/40/345153340.db2.gz XXTODGRVOIKQPX-SCZZXKLOSA-N 0 0 176.263 2.600 10 0 AFAERN CC(C)=C[C@H](O)[C@@H](C)C(C)(C)C 306264101 345154235 /nfs/dbraw/zinc/15/42/35/345154235.db2.gz ZTHUCZWPOMEIAW-ZJUUUORDSA-N 0 0 170.296 2.996 10 0 AFAERN CCN(C#N)c1ccccc1Cl 306267023 345156706 /nfs/dbraw/zinc/15/67/06/345156706.db2.gz HFBMNAJGVOHAEH-UHFFFAOYSA-N 0 0 180.638 2.647 10 0 AFAERN Nc1ncc(C2=CCCCC2)s1 306268807 345157936 /nfs/dbraw/zinc/15/79/36/345157936.db2.gz KRIPIUGBZNKWJX-UHFFFAOYSA-N 0 0 180.276 2.683 10 0 AFAERN CCC(=O)NC1(C)CCCCCC1 306271348 345159860 /nfs/dbraw/zinc/15/98/60/345159860.db2.gz VOWHBXLZDWZIAX-UHFFFAOYSA-N 0 0 183.295 2.626 10 0 AFAERN CNc1c(F)cc(F)c(Cl)c1F 306272586 345160256 /nfs/dbraw/zinc/16/02/56/345160256.db2.gz XQFSEYMGYWYEBG-UHFFFAOYSA-N 0 0 195.571 2.799 10 0 AFAERN CC(C)(C)C(=O)c1cncc(Cl)c1 306272683 345160365 /nfs/dbraw/zinc/16/03/65/345160365.db2.gz XWZNSRPTCQYIQV-UHFFFAOYSA-N 0 0 197.665 2.964 10 0 AFAERN CC1(c2nccc(Cl)n2)CCCC1 306272539 345160445 /nfs/dbraw/zinc/16/04/45/345160445.db2.gz XPFFGTDLZAVKBC-UHFFFAOYSA-N 0 0 196.681 2.962 10 0 AFAERN CCC(CC)SCCF 306274186 345162342 /nfs/dbraw/zinc/16/23/42/345162342.db2.gz BZWIONLTLWMJTC-UHFFFAOYSA-N 0 0 150.262 2.878 10 0 AFAERN CCC1(c2nc(Cl)ns2)CC1 306275740 345163427 /nfs/dbraw/zinc/16/34/27/345163427.db2.gz RHOAKIIJRWKOJU-UHFFFAOYSA-N 0 0 188.683 2.633 10 0 AFAERN O=C1CCCCC[C@@H]1c1cscn1 306275622 345163618 /nfs/dbraw/zinc/16/36/18/345163618.db2.gz LDMMSMZHYZSHGJ-MRVPVSSYSA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCCC[C@H]1c1cscn1 306275623 345163629 /nfs/dbraw/zinc/16/36/29/345163629.db2.gz LDMMSMZHYZSHGJ-QMMMGPOBSA-N 0 0 195.287 2.760 10 0 AFAERN Fc1cccc(Cl)c1-c1cc[nH]n1 306276779 345164233 /nfs/dbraw/zinc/16/42/33/345164233.db2.gz MODRVOAWJBCJDQ-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN C[C@@H](NO)c1cc(F)ccc1Cl 306281997 345166818 /nfs/dbraw/zinc/16/68/18/345166818.db2.gz MGVWNYVKRWOTQJ-RXMQYKEDSA-N 0 0 189.617 2.519 10 0 AFAERN O=C1CSC(Cc2cccs2)=N1 306286511 345170086 /nfs/dbraw/zinc/17/00/86/345170086.db2.gz XRHGLMZGBQDHGF-UHFFFAOYSA-N 0 0 197.284 2.501 10 0 AFAERN CCSc1cc(F)c(F)cc1N 306290157 345172329 /nfs/dbraw/zinc/17/23/29/345172329.db2.gz PREAGCRKHZMTBA-UHFFFAOYSA-N 0 0 189.230 2.659 10 0 AFAERN Cc1coc(NCc2ccsc2)n1 306290781 345172776 /nfs/dbraw/zinc/17/27/76/345172776.db2.gz RBFHAYUIEUSRTK-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN Cc1coc(N[C@H]2CC[C@@H](C)C2)n1 306294885 345175848 /nfs/dbraw/zinc/17/58/48/345175848.db2.gz WKHLPGLBQWDATK-APPZFPTMSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1coc(N[C@H]2CC[C@H](C)C2)n1 306294886 345176048 /nfs/dbraw/zinc/17/60/48/345176048.db2.gz WKHLPGLBQWDATK-CBAPKCEASA-N 0 0 180.251 2.584 10 0 AFAERN Cc1coc(N[C@@H]2CC[C@@H](C)C2)n1 306294888 345176030 /nfs/dbraw/zinc/17/60/30/345176030.db2.gz WKHLPGLBQWDATK-VXNVDRBHSA-N 0 0 180.251 2.584 10 0 AFAERN Nc1ccc(C2=CCCC2)cc1F 306295357 345176566 /nfs/dbraw/zinc/17/65/66/345176566.db2.gz HXBGEUSQBULYFF-UHFFFAOYSA-N 0 0 177.222 2.975 10 0 AFAERN Fc1ccc(NCC2(F)CCC2)nc1 306296251 345177571 /nfs/dbraw/zinc/17/75/71/345177571.db2.gz CCULCGZITBXICU-UHFFFAOYSA-N 0 0 198.216 2.525 10 0 AFAERN CCc1nc(=S)c2ccsc2[nH]1 306296805 345177915 /nfs/dbraw/zinc/17/79/15/345177915.db2.gz IKIVVGMXLSCZPN-UHFFFAOYSA-N 0 0 196.300 2.916 10 0 AFAERN CCc1ccc(N)cc1NC(C)C 306296906 345178070 /nfs/dbraw/zinc/17/80/70/345178070.db2.gz APHBPZZRYYPREJ-UHFFFAOYSA-N 0 0 178.279 2.652 10 0 AFAERN FC(F)CN1CC[C@H]2CCCC[C@H]21 306298069 345179063 /nfs/dbraw/zinc/17/90/63/345179063.db2.gz OHFFVZYOJVSGGC-RKDXNWHRSA-N 0 0 189.249 2.516 10 0 AFAERN Cc1nnc(Cl)n1[C@H]1CCC1(C)C 306299478 345179507 /nfs/dbraw/zinc/17/95/07/345179507.db2.gz FFYFPLSCJRNIBV-ZETCQYMHSA-N 0 0 199.685 2.601 10 0 AFAERN Cc1nnc(Cl)n1[C@@H]1CCC1(C)C 306299477 345179624 /nfs/dbraw/zinc/17/96/24/345179624.db2.gz FFYFPLSCJRNIBV-SSDOTTSWSA-N 0 0 199.685 2.601 10 0 AFAERN Cc1coc(NCCC2CCC2)n1 306298999 345179699 /nfs/dbraw/zinc/17/96/99/345179699.db2.gz DRHZTTKKAODKFJ-UHFFFAOYSA-N 0 0 180.251 2.585 10 0 AFAERN CC[C@H](C)SC1CCOCC1 306301743 345181415 /nfs/dbraw/zinc/18/14/15/345181415.db2.gz ZLTMOSWFEVKPJY-QMMMGPOBSA-N 0 0 174.309 2.697 10 0 AFAERN Cc1ccc(N[C@H]2CCC[C@H]2F)nc1 306301393 345181769 /nfs/dbraw/zinc/18/17/69/345181769.db2.gz GLBVCMBRDGNLDO-ZJUUUORDSA-N 0 0 194.253 2.693 10 0 AFAERN CCN(C)c1ccc2[nH]ccc2c1 306302158 345182171 /nfs/dbraw/zinc/18/21/71/345182171.db2.gz ZXWMNIPREKWVAA-UHFFFAOYSA-N 0 0 174.247 2.624 10 0 AFAERN CC(C)[C@H](C)Nc1ccncc1F 306302995 345182693 /nfs/dbraw/zinc/18/26/93/345182693.db2.gz AWTTZFHYDHOLNT-QMMMGPOBSA-N 0 0 182.242 2.677 10 0 AFAERN CC(C)[C@@H](C)Nc1ccncc1F 306302993 345182841 /nfs/dbraw/zinc/18/28/41/345182841.db2.gz AWTTZFHYDHOLNT-MRVPVSSYSA-N 0 0 182.242 2.677 10 0 AFAERN Cc1ncc(CSC(C)(C)C)cn1 306303805 345183525 /nfs/dbraw/zinc/18/35/25/345183525.db2.gz BVKXOOKLGRRPJB-UHFFFAOYSA-N 0 0 196.319 2.817 10 0 AFAERN Cc1c(F)cccc1NC1CSC1 306304810 345184859 /nfs/dbraw/zinc/18/48/59/345184859.db2.gz CJZYBXWEOJPKPM-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN CC(C)(C)C(=O)C[C@@H]1CCC[C@]1(C)O 306306503 345185800 /nfs/dbraw/zinc/18/58/00/345185800.db2.gz JGDRLVQVLYUXKW-CABZTGNLSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)CNc1csc(Cl)n1 306305964 345185895 /nfs/dbraw/zinc/18/58/95/345185895.db2.gz DWJOCTDRPYILOG-UHFFFAOYSA-N 0 0 190.699 2.864 10 0 AFAERN CNc1ccc(OCC2CC2)cc1F 306305950 345186025 /nfs/dbraw/zinc/18/60/25/345186025.db2.gz DVMDDQZLLUSHLE-UHFFFAOYSA-N 0 0 195.237 2.656 10 0 AFAERN CC(C)(C)C(=O)C[C@H]1CCC[C@@]1(C)O 306306498 345186057 /nfs/dbraw/zinc/18/60/57/345186057.db2.gz JGDRLVQVLYUXKW-BXKDBHETSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)(C)C(=O)C[C@H]1CCC[C@]1(C)O 306306511 345186663 /nfs/dbraw/zinc/18/66/63/345186663.db2.gz JGDRLVQVLYUXKW-SKDRFNHKSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)(C)C(=O)C[C@@H]1CCC[C@@]1(C)O 306306507 345186793 /nfs/dbraw/zinc/18/67/93/345186793.db2.gz JGDRLVQVLYUXKW-JOYOIKCWSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](O)c1ccsc1Cl 306307268 345186881 /nfs/dbraw/zinc/18/68/81/345186881.db2.gz KAAXGHADNDJJAA-LURJTMIESA-N 0 0 176.668 2.845 10 0 AFAERN CC[C@@H](O)c1ccsc1Cl 306307270 345186903 /nfs/dbraw/zinc/18/69/03/345186903.db2.gz KAAXGHADNDJJAA-ZCFIWIBFSA-N 0 0 176.668 2.845 10 0 AFAERN S=c1[nH]ccn1[C@@H]1[C@H]2CCCC[C@H]21 306307716 345187102 /nfs/dbraw/zinc/18/71/02/345187102.db2.gz NTLUZOIPKJIFDG-BRPSZJMVSA-N 0 0 194.303 2.533 10 0 AFAERN Cc1cc(C(=O)C(C)C)cnc1C 306308042 345187439 /nfs/dbraw/zinc/18/74/39/345187439.db2.gz RHUSYSMHJMDMCJ-UHFFFAOYSA-N 0 0 177.247 2.537 10 0 AFAERN Cc1coc(N[C@@H]2CCC2(C)C)n1 306309928 345189452 /nfs/dbraw/zinc/18/94/52/345189452.db2.gz LUAGSBPCAFSBFV-MRVPVSSYSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1coc(N[C@H]2CCC2(C)C)n1 306309929 345189671 /nfs/dbraw/zinc/18/96/71/345189671.db2.gz LUAGSBPCAFSBFV-QMMMGPOBSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1csc(N)c1-c1ccccn1 306310672 345190114 /nfs/dbraw/zinc/19/01/14/345190114.db2.gz WDHWFZCFVDMMNP-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(N)c(F)cc1CC(C)C 306312699 345191270 /nfs/dbraw/zinc/19/12/70/345191270.db2.gz WCVMAZVWDYQLRB-UHFFFAOYSA-N 0 0 181.254 2.915 10 0 AFAERN Cc1cscc1NC1CSC1 306313194 345192189 /nfs/dbraw/zinc/19/21/89/345192189.db2.gz LSIJULHDBPWJHT-UHFFFAOYSA-N 0 0 185.317 2.584 10 0 AFAERN COc1ccccc1NCC1(F)CC1 306313497 345192341 /nfs/dbraw/zinc/19/23/41/345192341.db2.gz OOVXXHIYWDEPAA-UHFFFAOYSA-N 0 0 195.237 2.609 10 0 AFAERN Cc1cccc(C2=CCCO2)c1F 306313364 345192814 /nfs/dbraw/zinc/19/28/14/345192814.db2.gz OKIXAKRTVWLZBS-UHFFFAOYSA-N 0 0 178.206 2.895 10 0 AFAERN Cc1cnc(N[C@@H]2C[C@@H]2C2CC2)s1 306315480 345194179 /nfs/dbraw/zinc/19/41/79/345194179.db2.gz POBNFZXLBWURQE-RKDXNWHRSA-N 0 0 194.303 2.662 10 0 AFAERN Cc1cnc(N[C@@H]2C[C@H]2C2CC2)s1 306315477 345194199 /nfs/dbraw/zinc/19/41/99/345194199.db2.gz POBNFZXLBWURQE-DTWKUNHWSA-N 0 0 194.303 2.662 10 0 AFAERN Cc1cnc(N[C@H]2C[C@@H]2C2CC2)s1 306315475 345194244 /nfs/dbraw/zinc/19/42/44/345194244.db2.gz POBNFZXLBWURQE-BDAKNGLRSA-N 0 0 194.303 2.662 10 0 AFAERN Cc1cnc(N[C@H]2C[C@H]2C2CC2)s1 306315479 345194425 /nfs/dbraw/zinc/19/44/25/345194425.db2.gz POBNFZXLBWURQE-IUCAKERBSA-N 0 0 194.303 2.662 10 0 AFAERN c1ccc(N[C@@H]2CC[C@H]3C[C@H]32)cc1 306315716 345194437 /nfs/dbraw/zinc/19/44/37/345194437.db2.gz XFDXOVIWRKCOPV-MVWJERBFSA-N 0 0 173.259 2.897 10 0 AFAERN c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]32)cc1 306315713 345194443 /nfs/dbraw/zinc/19/44/43/345194443.db2.gz XFDXOVIWRKCOPV-ADEWGFFLSA-N 0 0 173.259 2.897 10 0 AFAERN Cc1cc2nc(Cl)oc2cc1F 306317614 345195959 /nfs/dbraw/zinc/19/59/59/345195959.db2.gz SMFUGDUPYMVHLS-UHFFFAOYSA-N 0 0 185.585 2.929 10 0 AFAERN Cc1cc(C)nc([C@@H](O)C2CCC2)c1 306318080 345196217 /nfs/dbraw/zinc/19/62/17/345196217.db2.gz SACKAECNRXGZMB-LBPRGKRZSA-N 0 0 191.274 2.532 10 0 AFAERN Cc1cc(N)cc(-c2ccsn2)c1 306318246 345196637 /nfs/dbraw/zinc/19/66/37/345196637.db2.gz FEQGQHAYOHLFOR-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCNc1ccc(C(F)F)cc1N 306318765 345196841 /nfs/dbraw/zinc/19/68/41/345196841.db2.gz UOVMWYCCLNAUSL-UHFFFAOYSA-N 0 0 186.205 2.638 10 0 AFAERN CCNC(=O)O[C@@H]1CCC[C@@H](C)[C@H]1C 306320326 345198054 /nfs/dbraw/zinc/19/80/54/345198054.db2.gz KJEUXWAMJDOJHV-OPRDCNLKSA-N 0 0 199.294 2.557 10 0 AFAERN CCNC(=O)O[C@@H]1CCC[C@H](C)[C@H]1C 306320324 345198140 /nfs/dbraw/zinc/19/81/40/345198140.db2.gz KJEUXWAMJDOJHV-IVZWLZJFSA-N 0 0 199.294 2.557 10 0 AFAERN C[C@@H]1CC[C@H](C2=NC(=O)CS2)C1 306322493 345199876 /nfs/dbraw/zinc/19/98/76/345199876.db2.gz KNRMHYIAEYZFLF-RQJHMYQMSA-N 0 0 183.276 2.752 10 0 AFAERN O=C1CCC[C@H]1CCC1CCOCC1 306322340 345200128 /nfs/dbraw/zinc/20/01/28/345200128.db2.gz YQDCMMNNQYGMJB-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN C[C@H]1CC[C@@H](C2=NC(=O)CS2)C1 306322491 345200187 /nfs/dbraw/zinc/20/01/87/345200187.db2.gz KNRMHYIAEYZFLF-NKWVEPMBSA-N 0 0 183.276 2.752 10 0 AFAERN C[C@H]1CC[C@H](C2=NC(=O)CS2)C1 306322489 345200271 /nfs/dbraw/zinc/20/02/71/345200271.db2.gz KNRMHYIAEYZFLF-BQBZGAKWSA-N 0 0 183.276 2.752 10 0 AFAERN C[C@@H]1CC[C@@H](C2=NC(=O)CS2)C1 306322492 345200333 /nfs/dbraw/zinc/20/03/33/345200333.db2.gz KNRMHYIAEYZFLF-RNFRBKRXSA-N 0 0 183.276 2.752 10 0 AFAERN O=C1CCC[C@@H]1CCC1CCOCC1 306322338 345200415 /nfs/dbraw/zinc/20/04/15/345200415.db2.gz YQDCMMNNQYGMJB-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN Cc1cc(C(=O)C2(C)CC2)c(C)o1 306323271 345200846 /nfs/dbraw/zinc/20/08/46/345200846.db2.gz KGZZRDIQENJQKZ-UHFFFAOYSA-N 0 0 178.231 2.879 10 0 AFAERN CC1CCC(CNc2c[nH]cn2)CC1 306324307 345202114 /nfs/dbraw/zinc/20/21/14/345202114.db2.gz VUQGIRPDDREOIQ-UHFFFAOYSA-N 0 0 193.294 2.648 10 0 AFAERN Cc1sc(=S)[nH]c1[C@H]1C[C@H]1C 306325555 345202535 /nfs/dbraw/zinc/20/25/35/345202535.db2.gz HSHQIEBMSHHILN-XINAWCOVSA-N 0 0 185.317 2.864 10 0 AFAERN Cc1sc(=S)[nH]c1[C@H]1C[C@@H]1C 306325553 345202545 /nfs/dbraw/zinc/20/25/45/345202545.db2.gz HSHQIEBMSHHILN-NJGYIYPDSA-N 0 0 185.317 2.864 10 0 AFAERN Cc1sc(=S)[nH]c1[C@@H]1C[C@@H]1C 306325554 345202550 /nfs/dbraw/zinc/20/25/50/345202550.db2.gz HSHQIEBMSHHILN-UJURSFKZSA-N 0 0 185.317 2.864 10 0 AFAERN Cc1sc(=S)[nH]c1[C@@H]1C[C@H]1C 306325551 345202560 /nfs/dbraw/zinc/20/25/60/345202560.db2.gz HSHQIEBMSHHILN-INEUFUBQSA-N 0 0 185.317 2.864 10 0 AFAERN Cc1coc(NCc2cccs2)n1 306326858 345204192 /nfs/dbraw/zinc/20/41/92/345204192.db2.gz XFULVBXRNCOPMF-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN Cc1sc(CC2CCCC2)nc1N 306327496 345204803 /nfs/dbraw/zinc/20/48/03/345204803.db2.gz XTOFVFUDVFLUPE-UHFFFAOYSA-N 0 0 196.319 2.766 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)OC2CCC2)C1 306327364 345204808 /nfs/dbraw/zinc/20/48/08/345204808.db2.gz XNJWQCQXQZJSRY-RKDXNWHRSA-N 0 0 182.263 2.518 10 0 AFAERN CCc1cc(Cl)nnc1C1CCC1 306327456 345204857 /nfs/dbraw/zinc/20/48/57/345204857.db2.gz XNIBCZUCISGJSX-UHFFFAOYSA-N 0 0 196.681 2.960 10 0 AFAERN C[C@H]1CC[C@H](C(=O)OC2CCC2)C1 306327362 345204939 /nfs/dbraw/zinc/20/49/39/345204939.db2.gz XNJWQCQXQZJSRY-IUCAKERBSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)OC2CCC2)C1 306327360 345204966 /nfs/dbraw/zinc/20/49/66/345204966.db2.gz XNJWQCQXQZJSRY-DTWKUNHWSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)OC2CCC2)C1 306327358 345205039 /nfs/dbraw/zinc/20/50/39/345205039.db2.gz XNJWQCQXQZJSRY-BDAKNGLRSA-N 0 0 182.263 2.518 10 0 AFAERN Cc1cc(C[C@H]2CCCC2=O)cs1 306329212 345206800 /nfs/dbraw/zinc/20/68/00/345206800.db2.gz MNTNWJKLTWXEPG-SNVBAGLBSA-N 0 0 194.299 2.968 10 0 AFAERN Cc1cc(C[C@@H]2CCCC2=O)cs1 306329206 345206923 /nfs/dbraw/zinc/20/69/23/345206923.db2.gz MNTNWJKLTWXEPG-JTQLQIEISA-N 0 0 194.299 2.968 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)c2ccsn2)C1 306330062 345207418 /nfs/dbraw/zinc/20/74/18/345207418.db2.gz BBNYGAJCYPCXBO-SFYZADRCSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)c2ccsn2)C1 306330037 345207471 /nfs/dbraw/zinc/20/74/71/345207471.db2.gz BBNYGAJCYPCXBO-HTQZYQBOSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CC[C@H](C(=O)c2ccsn2)C1 306330075 345207558 /nfs/dbraw/zinc/20/75/58/345207558.db2.gz BBNYGAJCYPCXBO-YUMQZZPRSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)c2ccsn2)C1 306330050 345207566 /nfs/dbraw/zinc/20/75/66/345207566.db2.gz BBNYGAJCYPCXBO-JGVFFNPUSA-N 0 0 195.287 2.762 10 0 AFAERN FC(F)CSC1CCCC1 306330694 345207845 /nfs/dbraw/zinc/20/78/45/345207845.db2.gz CONNOMNLJFBUCA-UHFFFAOYSA-N 0 0 166.236 2.927 10 0 AFAERN Cc1occc1[C@H]1N[C@@H](C)CCS1 306331712 345208507 /nfs/dbraw/zinc/20/85/07/345208507.db2.gz PQGAHUJNGVKSJU-XVKPBYJWSA-N 0 0 197.303 2.702 10 0 AFAERN CC(C)C(C(C)C)[C@]1(O)C[C@@H]1C 306331620 345208530 /nfs/dbraw/zinc/20/85/30/345208530.db2.gz GHNKAYUWKXXBMP-ONGXEEELSA-N 0 0 170.296 2.686 10 0 AFAERN CC(C)C(C(C)C)[C@@]1(O)C[C@H]1C 306331619 345208588 /nfs/dbraw/zinc/20/85/88/345208588.db2.gz GHNKAYUWKXXBMP-MWLCHTKSSA-N 0 0 170.296 2.686 10 0 AFAERN Cc1occc1[C@@H]1N[C@@H](C)CCS1 306331706 345208613 /nfs/dbraw/zinc/20/86/13/345208613.db2.gz PQGAHUJNGVKSJU-OIBJUYFYSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1occc1[C@H]1N[C@H](C)CCS1 306331710 345208644 /nfs/dbraw/zinc/20/86/44/345208644.db2.gz PQGAHUJNGVKSJU-XCBNKYQSSA-N 0 0 197.303 2.702 10 0 AFAERN CC(C)C(C(C)C)[C@@]1(O)C[C@@H]1C 306331616 345208749 /nfs/dbraw/zinc/20/87/49/345208749.db2.gz GHNKAYUWKXXBMP-GXSJLCMTSA-N 0 0 170.296 2.686 10 0 AFAERN Cc1occc1[C@@H]1N[C@H](C)CCS1 306331703 345208832 /nfs/dbraw/zinc/20/88/32/345208832.db2.gz PQGAHUJNGVKSJU-GMSGAONNSA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@@H](C)Sc1nc(C)cc(C)n1 306331665 345208878 /nfs/dbraw/zinc/20/88/78/345208878.db2.gz GORKDGJEMVHCHM-SECBINFHSA-N 0 0 196.319 2.984 10 0 AFAERN CC(C)C(C(C)C)[C@]1(O)C[C@H]1C 306331617 345208892 /nfs/dbraw/zinc/20/88/92/345208892.db2.gz GHNKAYUWKXXBMP-KOLCDFICSA-N 0 0 170.296 2.686 10 0 AFAERN CC[C@H](C)Sc1nc(C)cc(C)n1 306331667 345208914 /nfs/dbraw/zinc/20/89/14/345208914.db2.gz GORKDGJEMVHCHM-VIFPVBQESA-N 0 0 196.319 2.984 10 0 AFAERN Cc1ccc(N)cc1-c1cscn1 306333943 345210543 /nfs/dbraw/zinc/21/05/43/345210543.db2.gz FIJDRRUCPGSPJQ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(F)c(NC2CSC2)c1 306334454 345210833 /nfs/dbraw/zinc/21/08/33/345210833.db2.gz FZNDYBISKLWYTO-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN C[C@@H]1C[C@H]1Nc1csc(Cl)n1 306336329 345212414 /nfs/dbraw/zinc/21/24/14/345212414.db2.gz SUIPKAPMRXMABK-RFZPGFLSSA-N 0 0 188.683 2.617 10 0 AFAERN CCNc1nc(Cl)ccc1Cl 306337267 345212900 /nfs/dbraw/zinc/21/29/00/345212900.db2.gz HISFOMBIVWVPKZ-UHFFFAOYSA-N 0 0 191.061 2.820 10 0 AFAERN CC(=O)CCc1ccsc1Cl 306337565 345213033 /nfs/dbraw/zinc/21/30/33/345213033.db2.gz VBHMXUUIHQBGQW-UHFFFAOYSA-N 0 0 188.679 2.923 10 0 AFAERN Cc1cnc([C@H](C)SC(C)C)cn1 306338582 345213443 /nfs/dbraw/zinc/21/34/43/345213443.db2.gz ITXUOUJIQPWZQY-VIFPVBQESA-N 0 0 196.319 2.988 10 0 AFAERN Cc1cnc([C@@H](C)SC(C)C)cn1 306338581 345213620 /nfs/dbraw/zinc/21/36/20/345213620.db2.gz ITXUOUJIQPWZQY-SECBINFHSA-N 0 0 196.319 2.988 10 0 AFAERN CCC[C@H](C)Nc1ccc(NC)nc1 306342515 345216494 /nfs/dbraw/zinc/21/64/94/345216494.db2.gz LTNWMEDVKJMYHZ-VIFPVBQESA-N 0 0 193.294 2.724 10 0 AFAERN CCc1cc(C)nc2ccc(N)cc12 306342562 345216545 /nfs/dbraw/zinc/21/65/45/345216545.db2.gz KECXZCGURLJQFQ-UHFFFAOYSA-N 0 0 186.258 2.688 10 0 AFAERN CCC[C@@H](C)Nc1ccc(NC)nc1 306342508 345216719 /nfs/dbraw/zinc/21/67/19/345216719.db2.gz LTNWMEDVKJMYHZ-SECBINFHSA-N 0 0 193.294 2.724 10 0 AFAERN CC(C)[C@@H](C)[C@H](O)c1cccc(N)c1 306343308 345217048 /nfs/dbraw/zinc/21/70/48/345217048.db2.gz LKXDGQQXXZHBRP-SKDRFNHKSA-N 0 0 193.290 2.594 10 0 AFAERN CC(C)[C@@H](C)[C@@H](O)c1cccc(N)c1 306343303 345217101 /nfs/dbraw/zinc/21/71/01/345217101.db2.gz LKXDGQQXXZHBRP-BXKDBHETSA-N 0 0 193.290 2.594 10 0 AFAERN CC(C)[C@H](C)[C@H](O)c1cccc(N)c1 306343304 345217143 /nfs/dbraw/zinc/21/71/43/345217143.db2.gz LKXDGQQXXZHBRP-CABZTGNLSA-N 0 0 193.290 2.594 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)c1cccc(N)c1 306343306 345217161 /nfs/dbraw/zinc/21/71/61/345217161.db2.gz LKXDGQQXXZHBRP-JOYOIKCWSA-N 0 0 193.290 2.594 10 0 AFAERN Cc1ccncc1N[C@H]1CCC1(C)C 306343495 345217656 /nfs/dbraw/zinc/21/76/56/345217656.db2.gz MJBFNVZURFRLOI-NSHDSACASA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccncc1N[C@@H]1CCC1(C)C 306343494 345217864 /nfs/dbraw/zinc/21/78/64/345217864.db2.gz MJBFNVZURFRLOI-LLVKDONJSA-N 0 0 190.290 2.991 10 0 AFAERN O=C1CC(c2c(F)cccc2Cl)C1 306344089 345218094 /nfs/dbraw/zinc/21/80/94/345218094.db2.gz MYDBVXSOEJNOFN-UHFFFAOYSA-N 0 0 198.624 2.926 10 0 AFAERN CCc1c(F)cc(N)c2cccnc12 306344458 345218712 /nfs/dbraw/zinc/21/87/12/345218712.db2.gz MVEFDKBPCNYTIC-UHFFFAOYSA-N 0 0 190.221 2.519 10 0 AFAERN Oc1cccnc1C1=CCCCC1 306346388 345219813 /nfs/dbraw/zinc/21/98/13/345219813.db2.gz BEGLTVRDNSXJFO-UHFFFAOYSA-N 0 0 175.231 2.745 10 0 AFAERN Cc1cc(C2=CCCC2)cnc1N 306346217 345220196 /nfs/dbraw/zinc/22/01/96/345220196.db2.gz QRGIQRDJOOHYHO-UHFFFAOYSA-N 0 0 174.247 2.540 10 0 AFAERN CCc1noc([C@H]2CCC[C@@H]2C)n1 306346536 345220446 /nfs/dbraw/zinc/22/04/46/345220446.db2.gz PTGOGFYFZYDFMN-YUMQZZPRSA-N 0 0 180.251 2.536 10 0 AFAERN CCc1noc([C@@H]2CCC[C@@H]2C)n1 306346534 345220504 /nfs/dbraw/zinc/22/05/04/345220504.db2.gz PTGOGFYFZYDFMN-JGVFFNPUSA-N 0 0 180.251 2.536 10 0 AFAERN FC1(CCNc2ccccn2)CCC1 306348127 345221851 /nfs/dbraw/zinc/22/18/51/345221851.db2.gz RZVOKRRBMSQUMC-UHFFFAOYSA-N 0 0 194.253 2.776 10 0 AFAERN Nc1ccc(F)c(C2=CCCC2)c1 306348652 345222410 /nfs/dbraw/zinc/22/24/10/345222410.db2.gz JMWUSWOYJUFJOD-UHFFFAOYSA-N 0 0 177.222 2.975 10 0 AFAERN c1csc(N[C@@H]2[C@H]3CCCC[C@H]32)n1 306348706 345222525 /nfs/dbraw/zinc/22/25/25/345222525.db2.gz HMXIUKRGEUBFMP-BRPSZJMVSA-N 0 0 194.303 2.744 10 0 AFAERN CC(=O)CCC1(C)CCC1 306350103 345223537 /nfs/dbraw/zinc/22/35/37/345223537.db2.gz VGDMUSQOYDYSEI-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN Cc1ccc(NCCC2(C)CC2)nc1 306350995 345224113 /nfs/dbraw/zinc/22/41/13/345224113.db2.gz WNNCYVRKVOHWAU-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN Fc1cccc(NCC2(F)CC2)c1 306351407 345224452 /nfs/dbraw/zinc/22/44/52/345224452.db2.gz XKIJXMXPNQBMCY-UHFFFAOYSA-N 0 0 183.201 2.740 10 0 AFAERN Cc1ccccc1C(=O)C(C)(F)F 306353312 345225453 /nfs/dbraw/zinc/22/54/53/345225453.db2.gz PEJJOKHSATUVRL-UHFFFAOYSA-N 0 0 184.185 2.833 10 0 AFAERN CSCc1ccc(Cl)nc1C 306352884 345225669 /nfs/dbraw/zinc/22/56/69/345225669.db2.gz AFUQELTXOVGHHP-UHFFFAOYSA-N 0 0 187.695 2.906 10 0 AFAERN CC1(c2nccc(=S)[nH]2)CCCC1 306352824 345225688 /nfs/dbraw/zinc/22/56/88/345225688.db2.gz ONESYZQPTSDARU-UHFFFAOYSA-N 0 0 194.303 2.971 10 0 AFAERN Cc1occc1[C@H]1NC[C@H](C)CS1 306354428 345226525 /nfs/dbraw/zinc/22/65/25/345226525.db2.gz HEOQQLMDAFGBBX-XVKPBYJWSA-N 0 0 197.303 2.559 10 0 AFAERN Cc1occc1[C@H]1NC[C@@H](C)CS1 306354427 345226588 /nfs/dbraw/zinc/22/65/88/345226588.db2.gz HEOQQLMDAFGBBX-XCBNKYQSSA-N 0 0 197.303 2.559 10 0 AFAERN Cc1occc1[C@@H]1NC[C@@H](C)CS1 306354425 345226596 /nfs/dbraw/zinc/22/65/96/345226596.db2.gz HEOQQLMDAFGBBX-GMSGAONNSA-N 0 0 197.303 2.559 10 0 AFAERN Cc1occc1[C@@H]1NC[C@H](C)CS1 306354426 345226701 /nfs/dbraw/zinc/22/67/01/345226701.db2.gz HEOQQLMDAFGBBX-OIBJUYFYSA-N 0 0 197.303 2.559 10 0 AFAERN Cc1cc(C=O)cc(C)c1OC1CC1 306355239 345227022 /nfs/dbraw/zinc/22/70/22/345227022.db2.gz RRCWXPAAQRPHDE-UHFFFAOYSA-N 0 0 190.242 2.657 10 0 AFAERN CNc1cc(F)ccc1OCC1CC1 306356043 345227574 /nfs/dbraw/zinc/22/75/74/345227574.db2.gz JTHRQZWYDHZGAD-UHFFFAOYSA-N 0 0 195.237 2.656 10 0 AFAERN CC[C@H](C)Sc1cc(C)nc(C)n1 306355874 345227605 /nfs/dbraw/zinc/22/76/05/345227605.db2.gz SIECIVSHLCJNEU-QMMMGPOBSA-N 0 0 196.319 2.984 10 0 AFAERN CC[C@@H](C)Sc1cc(C)nc(C)n1 306355873 345227711 /nfs/dbraw/zinc/22/77/11/345227711.db2.gz SIECIVSHLCJNEU-MRVPVSSYSA-N 0 0 196.319 2.984 10 0 AFAERN Oc1ccc(F)cc1-c1ccsn1 306357152 345228090 /nfs/dbraw/zinc/22/80/90/345228090.db2.gz USWJIWWLBYXQHO-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CCC[C@](C)(O)c1cnc(C)c(C)c1 306357223 345228214 /nfs/dbraw/zinc/22/82/14/345228214.db2.gz VEIJDUVAPFPDOY-LBPRGKRZSA-N 0 0 193.290 2.706 10 0 AFAERN CCC[C@@](C)(O)c1cnc(C)c(C)c1 306357217 345228260 /nfs/dbraw/zinc/22/82/60/345228260.db2.gz VEIJDUVAPFPDOY-GFCCVEGCSA-N 0 0 193.290 2.706 10 0 AFAERN Cc1cc(-c2ccsn2)ccc1N 306357785 345229079 /nfs/dbraw/zinc/22/90/79/345229079.db2.gz XMRUCGCKMIEKGL-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CSC(C)(C)[C@H](O)c1ccccc1 306362075 345231717 /nfs/dbraw/zinc/23/17/17/345231717.db2.gz RGFVVNDZTIPSCK-SNVBAGLBSA-N 0 0 196.315 2.862 10 0 AFAERN CC(C)=CCNc1cncc(F)c1 306361932 345231863 /nfs/dbraw/zinc/23/18/63/345231863.db2.gz QPTACSFQRCPVPC-UHFFFAOYSA-N 0 0 180.226 2.599 10 0 AFAERN CCSC1Cc2ccccc2C1 306365881 345235504 /nfs/dbraw/zinc/23/55/04/345235504.db2.gz AVNSSOYKRIGCNC-UHFFFAOYSA-N 0 0 178.300 2.907 10 0 AFAERN CCNc1nc([C@H]2C[C@H]2C)cs1 306367386 345236634 /nfs/dbraw/zinc/23/66/34/345236634.db2.gz CTYKUZSNIBHOLX-RQJHMYQMSA-N 0 0 182.292 2.698 10 0 AFAERN CCNc1nc([C@@H]2C[C@@H]2C)cs1 306367384 345236733 /nfs/dbraw/zinc/23/67/33/345236733.db2.gz CTYKUZSNIBHOLX-NKWVEPMBSA-N 0 0 182.292 2.698 10 0 AFAERN CCNc1nc([C@H]2C[C@@H]2C)cs1 306367383 345236834 /nfs/dbraw/zinc/23/68/34/345236834.db2.gz CTYKUZSNIBHOLX-BQBZGAKWSA-N 0 0 182.292 2.698 10 0 AFAERN CCNc1nc([C@@H]2C[C@H]2C)cs1 306367385 345236862 /nfs/dbraw/zinc/23/68/62/345236862.db2.gz CTYKUZSNIBHOLX-RNFRBKRXSA-N 0 0 182.292 2.698 10 0 AFAERN C[C@@H]1C[C@H]1c1csc(=S)[nH]1 306368162 345237062 /nfs/dbraw/zinc/23/70/62/345237062.db2.gz BAYLWIIBXSFTBR-RFZPGFLSSA-N 0 0 171.290 2.555 10 0 AFAERN C[C@@H]1C[C@@H]1c1csc(=S)[nH]1 306368164 345237166 /nfs/dbraw/zinc/23/71/66/345237166.db2.gz BAYLWIIBXSFTBR-UHNVWZDZSA-N 0 0 171.290 2.555 10 0 AFAERN C[C@H]1C[C@H]1c1csc(=S)[nH]1 306368157 345237360 /nfs/dbraw/zinc/23/73/60/345237360.db2.gz BAYLWIIBXSFTBR-CRCLSJGQSA-N 0 0 171.290 2.555 10 0 AFAERN C[C@H]1C[C@@H]1c1csc(=S)[nH]1 306368168 345237461 /nfs/dbraw/zinc/23/74/61/345237461.db2.gz BAYLWIIBXSFTBR-WHFBIAKZSA-N 0 0 171.290 2.555 10 0 AFAERN C[C@H]1CC[C@H]1Nc1ncccc1Cl 306368309 345237696 /nfs/dbraw/zinc/23/76/96/345237696.db2.gz KVUUMVKNUKEJJH-IONNQARKSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1ncccc1Cl 306368311 345237759 /nfs/dbraw/zinc/23/77/59/345237759.db2.gz KVUUMVKNUKEJJH-VXNVDRBHSA-N 0 0 196.681 2.945 10 0 AFAERN Cc1cc(F)c(F)cc1OC(F)F 306368672 345237763 /nfs/dbraw/zinc/23/77/63/345237763.db2.gz KOXBGUBYMZXYEX-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1ncccc1Cl 306368306 345237823 /nfs/dbraw/zinc/23/78/23/345237823.db2.gz KVUUMVKNUKEJJH-CBAPKCEASA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1ncccc1Cl 306368302 345237871 /nfs/dbraw/zinc/23/78/71/345237871.db2.gz KVUUMVKNUKEJJH-APPZFPTMSA-N 0 0 196.681 2.945 10 0 AFAERN Cc1cc([C@H]2CCC(=O)[C@@H]2C)sn1 306369627 345238287 /nfs/dbraw/zinc/23/82/87/345238287.db2.gz FSDNSGOUQVONEC-SFYZADRCSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1cc([C@@H]2CCC(=O)[C@H]2C)sn1 306369625 345238322 /nfs/dbraw/zinc/23/83/22/345238322.db2.gz FSDNSGOUQVONEC-JGVFFNPUSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1cc([C@H]2CCC(=O)[C@H]2C)sn1 306369628 345238337 /nfs/dbraw/zinc/23/83/37/345238337.db2.gz FSDNSGOUQVONEC-YUMQZZPRSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1cc([C@@H]2CCC(=O)[C@@H]2C)sn1 306369624 345238487 /nfs/dbraw/zinc/23/84/87/345238487.db2.gz FSDNSGOUQVONEC-HTQZYQBOSA-N 0 0 195.287 2.534 10 0 AFAERN c1cc2ccsc2c(NC2CC2)n1 306370488 345239203 /nfs/dbraw/zinc/23/92/03/345239203.db2.gz DKXDNFIJVQBMEH-UHFFFAOYSA-N 0 0 190.271 2.871 10 0 AFAERN CC(=O)CC[C@@]1(C)CCCS1 306371565 345239584 /nfs/dbraw/zinc/23/95/84/345239584.db2.gz OSNFUMMHQJXLJQ-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN CC(C)c1nccc(NC(C)(C)C)n1 306371177 345239858 /nfs/dbraw/zinc/23/98/58/345239858.db2.gz CKONZAMXKYNAHJ-UHFFFAOYSA-N 0 0 193.294 2.810 10 0 AFAERN CC(=O)CC[C@]1(C)CCCS1 306371566 345239866 /nfs/dbraw/zinc/23/98/66/345239866.db2.gz OSNFUMMHQJXLJQ-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CC[C@@H]1CS[C@@H](c2ccoc2C)N1 306372222 345240216 /nfs/dbraw/zinc/24/02/16/345240216.db2.gz HVMSKODMSKVAJU-SCZZXKLOSA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@H]1CS[C@H](c2ccoc2C)N1 306372223 345240396 /nfs/dbraw/zinc/24/03/96/345240396.db2.gz HVMSKODMSKVAJU-WCBMZHEXSA-N 0 0 197.303 2.702 10 0 AFAERN O=C(c1sccc1F)C1CCC1 306371994 345240498 /nfs/dbraw/zinc/24/04/98/345240498.db2.gz JFGSWIHSOWMFMG-UHFFFAOYSA-N 0 0 184.235 2.870 10 0 AFAERN CC[C@H]1CS[C@@H](c2ccoc2C)N1 306372224 345240509 /nfs/dbraw/zinc/24/05/09/345240509.db2.gz HVMSKODMSKVAJU-WPRPVWTQSA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@@H]1CS[C@H](c2ccoc2C)N1 306372221 345240519 /nfs/dbraw/zinc/24/05/19/345240519.db2.gz HVMSKODMSKVAJU-PSASIEDQSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1cc(SC2CCC2)nc(C)n1 306373322 345240768 /nfs/dbraw/zinc/24/07/68/345240768.db2.gz ITYPDHREGFAQGB-UHFFFAOYSA-N 0 0 194.303 2.738 10 0 AFAERN Clc1nc(NC2CCC2)cs1 306373321 345240891 /nfs/dbraw/zinc/24/08/91/345240891.db2.gz ITQGYMBIXVFKQA-UHFFFAOYSA-N 0 0 188.683 2.761 10 0 AFAERN CC[C@H](C)c1noc(C(C)(C)F)n1 306373868 345241540 /nfs/dbraw/zinc/24/15/40/345241540.db2.gz KIRAFFCLASTIRU-LURJTMIESA-N 0 0 186.230 2.788 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1ccc(Cl)cn1 306375136 345242108 /nfs/dbraw/zinc/24/21/08/345242108.db2.gz LFYDWQKOAQHVLH-CBAPKCEASA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1ccc(Cl)cn1 306375135 345242118 /nfs/dbraw/zinc/24/21/18/345242118.db2.gz LFYDWQKOAQHVLH-APPZFPTMSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CC[C@H]1Nc1ccc(Cl)cn1 306375137 345242185 /nfs/dbraw/zinc/24/21/85/345242185.db2.gz LFYDWQKOAQHVLH-IONNQARKSA-N 0 0 196.681 2.945 10 0 AFAERN Cc1nc(N)sc1CC(C)(C)C 306375037 345242213 /nfs/dbraw/zinc/24/22/13/345242213.db2.gz LOPFBDQTPCBQTM-UHFFFAOYSA-N 0 0 184.308 2.622 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1ccc(Cl)cn1 306375138 345242220 /nfs/dbraw/zinc/24/22/20/345242220.db2.gz LFYDWQKOAQHVLH-VXNVDRBHSA-N 0 0 196.681 2.945 10 0 AFAERN O=c1cc[nH]c(C2=CCCCC2)c1 306374757 345242229 /nfs/dbraw/zinc/24/22/29/345242229.db2.gz VUJNRBJVHDFQAH-UHFFFAOYSA-N 0 0 175.231 2.745 10 0 AFAERN CC(C)[C@H](C)Sc1cccnn1 306375918 345242819 /nfs/dbraw/zinc/24/28/19/345242819.db2.gz MLNQKPYHVJDQBM-QMMMGPOBSA-N 0 0 182.292 2.613 10 0 AFAERN CCC[C@@H](O)c1ccc(C)c(C)n1 306376655 345243168 /nfs/dbraw/zinc/24/31/68/345243168.db2.gz RHYUNYAYIOQPFK-LLVKDONJSA-N 0 0 179.263 2.532 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ncc(C)s1 306377367 345243685 /nfs/dbraw/zinc/24/36/85/345243685.db2.gz MWTFCCQGUNOLAG-HTQZYQBOSA-N 0 0 182.292 2.662 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ncc(C)s1 306377371 345243715 /nfs/dbraw/zinc/24/37/15/345243715.db2.gz MWTFCCQGUNOLAG-YUMQZZPRSA-N 0 0 182.292 2.662 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ncc(C)s1 306377370 345243725 /nfs/dbraw/zinc/24/37/25/345243725.db2.gz MWTFCCQGUNOLAG-SFYZADRCSA-N 0 0 182.292 2.662 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ncc(C)s1 306377368 345244009 /nfs/dbraw/zinc/24/40/09/345244009.db2.gz MWTFCCQGUNOLAG-JGVFFNPUSA-N 0 0 182.292 2.662 10 0 AFAERN CC(C)c1noc(C=C2CCC2)n1 306380066 345246272 /nfs/dbraw/zinc/24/62/72/345246272.db2.gz QQWIPZPBQUHWOM-UHFFFAOYSA-N 0 0 178.235 2.760 10 0 AFAERN Nc1cc(F)ccc1-c1cscn1 306380959 345246876 /nfs/dbraw/zinc/24/68/76/345246876.db2.gz RKXBUJQSHRLCND-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1ccc(CN2CCC2)cc1Cl 306382414 345248002 /nfs/dbraw/zinc/24/80/02/345248002.db2.gz UFQQWLMJDKSRFI-UHFFFAOYSA-N 0 0 195.693 2.854 10 0 AFAERN CC(C)C(=O)CC1(C)CCC1 306382334 345248068 /nfs/dbraw/zinc/24/80/68/345248068.db2.gz XMOMDAIRHRNUTG-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H]1C[C@H]1c1csc(NC2CC2)n1 306384578 345249329 /nfs/dbraw/zinc/24/93/29/345249329.db2.gz WOHXBOFLPZWCSW-POYBYMJQSA-N 0 0 194.303 2.841 10 0 AFAERN C[C@@H]1C[C@@H]1c1csc(NC2CC2)n1 306384579 345249695 /nfs/dbraw/zinc/24/96/95/345249695.db2.gz WOHXBOFLPZWCSW-SVRRBLITSA-N 0 0 194.303 2.841 10 0 AFAERN C[C@@H]1C[C@H]1c1csc(NC2CC2)n1 306384577 345249726 /nfs/dbraw/zinc/24/97/26/345249726.db2.gz WOHXBOFLPZWCSW-HTRCEHHLSA-N 0 0 194.303 2.841 10 0 AFAERN C[C@@H]1CCNc2c(F)ccc(F)c21 306385119 345250182 /nfs/dbraw/zinc/25/01/82/345250182.db2.gz RFBRSDXTIOECMJ-ZCFIWIBFSA-N 0 0 183.201 2.884 10 0 AFAERN C[C@H]1CCNc2c(F)ccc(F)c21 306385117 345250222 /nfs/dbraw/zinc/25/02/22/345250222.db2.gz RFBRSDXTIOECMJ-LURJTMIESA-N 0 0 183.201 2.884 10 0 AFAERN NOc1ccc(Cl)c2ccccc12 306385128 345250375 /nfs/dbraw/zinc/25/03/75/345250375.db2.gz CBBUCPUYLBPGCJ-UHFFFAOYSA-N 0 0 193.633 2.746 10 0 AFAERN CC(C)[C@H](C)C(=O)C(C)(F)F 306388421 345251941 /nfs/dbraw/zinc/25/19/41/345251941.db2.gz NWNWEQRNALVZOT-LURJTMIESA-N 0 0 164.195 2.503 10 0 AFAERN Cc1cc(N)c(F)cc1C1CC1 306387903 345252123 /nfs/dbraw/zinc/25/21/23/345252123.db2.gz MVAQSOKOUNNSQN-UHFFFAOYSA-N 0 0 165.211 2.594 10 0 AFAERN CC(C)[C@@H](C)C(=O)C(C)(F)F 306388423 345252390 /nfs/dbraw/zinc/25/23/90/345252390.db2.gz NWNWEQRNALVZOT-ZCFIWIBFSA-N 0 0 164.195 2.503 10 0 AFAERN CCc1ccc(C(F)F)cc1N 306389847 345253033 /nfs/dbraw/zinc/25/30/33/345253033.db2.gz XOEFATSPJQRUEM-UHFFFAOYSA-N 0 0 171.190 2.769 10 0 AFAERN Oc1cccc(-c2ccsn2)c1 306391093 345254081 /nfs/dbraw/zinc/25/40/81/345254081.db2.gz YOWVZHUBBRUORB-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN Cc1cc(C(=O)C2(C)CC2)oc1C 306391699 345254765 /nfs/dbraw/zinc/25/47/65/345254765.db2.gz GQLHCUVNWPXOPB-UHFFFAOYSA-N 0 0 178.231 2.879 10 0 AFAERN CC(C)c1noc([C@H]2CC2(C)C)n1 306391587 345254839 /nfs/dbraw/zinc/25/48/39/345254839.db2.gz FOXZIHOHDNZUOC-SSDOTTSWSA-N 0 0 180.251 2.707 10 0 AFAERN Cc1nc(N)ccc1C1=CCCC1 306392779 345255382 /nfs/dbraw/zinc/25/53/82/345255382.db2.gz IPIGNVQEXRZQBI-UHFFFAOYSA-N 0 0 174.247 2.540 10 0 AFAERN Cc1ccc(O)c(-c2ccsn2)c1 306393628 345255957 /nfs/dbraw/zinc/25/59/57/345255957.db2.gz KXUMCYNROQSRBZ-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CC(C)Nc1cc(C2CC2)ccn1 306393712 345256520 /nfs/dbraw/zinc/25/65/20/345256520.db2.gz GGUNYYFKIVXKPY-UHFFFAOYSA-N 0 0 176.263 2.779 10 0 AFAERN Clc1ccn(C2CCCC2)n1 306393864 345256547 /nfs/dbraw/zinc/25/65/47/345256547.db2.gz HORYTLJQHUNNCW-UHFFFAOYSA-N 0 0 170.643 2.652 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)c1cscn1 306401456 345261988 /nfs/dbraw/zinc/26/19/88/345261988.db2.gz PZSBBRWDIXIIOJ-YUMQZZPRSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)c1cscn1 306401454 345261993 /nfs/dbraw/zinc/26/19/93/345261993.db2.gz PZSBBRWDIXIIOJ-JGVFFNPUSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)c1cscn1 306401455 345262026 /nfs/dbraw/zinc/26/20/26/345262026.db2.gz PZSBBRWDIXIIOJ-SFYZADRCSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)c1cscn1 306401453 345262054 /nfs/dbraw/zinc/26/20/54/345262054.db2.gz PZSBBRWDIXIIOJ-HTQZYQBOSA-N 0 0 195.287 2.762 10 0 AFAERN Cc1cc(C(=O)C(C)(C)F)c(C)o1 306401574 345262246 /nfs/dbraw/zinc/26/22/46/345262246.db2.gz PUBCIXQLSQNHSY-UHFFFAOYSA-N 0 0 184.210 2.827 10 0 AFAERN Oc1ccc(S[C@@H]2CCCO2)cc1 306402238 345262824 /nfs/dbraw/zinc/26/28/24/345262824.db2.gz QINVSLCKCRTMCX-SNVBAGLBSA-N 0 0 196.271 2.621 10 0 AFAERN CCC(C)(C)c1csc(=O)[nH]1 306402618 345262861 /nfs/dbraw/zinc/26/28/61/345262861.db2.gz RPDOGJPPIJESQW-UHFFFAOYSA-N 0 0 171.265 2.536 10 0 AFAERN Oc1ccc(S[C@H]2CCCO2)cc1 306402237 345262900 /nfs/dbraw/zinc/26/29/00/345262900.db2.gz QINVSLCKCRTMCX-JTQLQIEISA-N 0 0 196.271 2.621 10 0 AFAERN Cc1cccnc1N[C@H]1CC[C@@H]1C 306403123 345263213 /nfs/dbraw/zinc/26/32/13/345263213.db2.gz FVQJIMLJDSQKOX-WPRPVWTQSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccnc1N[C@@H]1CC[C@H]1C 306403117 345263496 /nfs/dbraw/zinc/26/34/96/345263496.db2.gz FVQJIMLJDSQKOX-PSASIEDQSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccnc1N[C@@H]1CC[C@@H]1C 306403121 345263525 /nfs/dbraw/zinc/26/35/25/345263525.db2.gz FVQJIMLJDSQKOX-WCBMZHEXSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccnc1N[C@H]1CC[C@H]1C 306403119 345263554 /nfs/dbraw/zinc/26/35/54/345263554.db2.gz FVQJIMLJDSQKOX-SCZZXKLOSA-N 0 0 176.263 2.600 10 0 AFAERN Oc1cc(F)ccc1-c1cscn1 306404700 345264529 /nfs/dbraw/zinc/26/45/29/345264529.db2.gz WBIUMGOGQIAKIB-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN S=c1ccnc(CC2CCCC2)[nH]1 306407883 345267955 /nfs/dbraw/zinc/26/79/55/345267955.db2.gz YYAAMPATVAKULN-UHFFFAOYSA-N 0 0 194.303 2.872 10 0 AFAERN CCC(=O)Cc1csc(C)c1 306408492 345268006 /nfs/dbraw/zinc/26/80/06/345268006.db2.gz MVUCTTNCECLYJZ-UHFFFAOYSA-N 0 0 168.261 2.578 10 0 AFAERN CC(C)[C@@H](C)C(=O)C(C)(C)F 306408659 345268286 /nfs/dbraw/zinc/26/82/86/345268286.db2.gz ILJHZLNTDNDTRF-SSDOTTSWSA-N 0 0 160.232 2.596 10 0 AFAERN CCC(C)(C)c1coc(=S)[nH]1 306408727 345268455 /nfs/dbraw/zinc/26/84/55/345268455.db2.gz JBHZOPTZNIOXEQ-UHFFFAOYSA-N 0 0 171.265 2.651 10 0 AFAERN CC(C)[C@H](C)C(=O)C(C)(C)F 306408661 345268594 /nfs/dbraw/zinc/26/85/94/345268594.db2.gz ILJHZLNTDNDTRF-ZETCQYMHSA-N 0 0 160.232 2.596 10 0 AFAERN C[C@@H]1C[C@H]2CC(=O)c3cccc1c32 306409898 345268841 /nfs/dbraw/zinc/26/88/41/345268841.db2.gz JZTGCSHJXICRJJ-SFYZADRCSA-N 0 0 172.227 2.864 10 0 AFAERN C[C@H]1C[C@@H]2CC(=O)c3cccc1c32 306409897 345268847 /nfs/dbraw/zinc/26/88/47/345268847.db2.gz JZTGCSHJXICRJJ-JGVFFNPUSA-N 0 0 172.227 2.864 10 0 AFAERN C[C@@H]1C[C@@H]2CC(=O)c3cccc1c32 306409896 345269171 /nfs/dbraw/zinc/26/91/71/345269171.db2.gz JZTGCSHJXICRJJ-HTQZYQBOSA-N 0 0 172.227 2.864 10 0 AFAERN C[C@H]1C[C@H]2CC(=O)c3cccc1c32 306409899 345269201 /nfs/dbraw/zinc/26/92/01/345269201.db2.gz JZTGCSHJXICRJJ-YUMQZZPRSA-N 0 0 172.227 2.864 10 0 AFAERN O=C(c1ccsc1Cl)C1CC1 306410053 345269849 /nfs/dbraw/zinc/26/98/49/345269849.db2.gz MPPQAPFHJNVREO-UHFFFAOYSA-N 0 0 186.663 2.994 10 0 AFAERN Cc1sccc1C(=O)C(C)(C)F 306410183 345269888 /nfs/dbraw/zinc/26/98/88/345269888.db2.gz PZJAOIMNVDDRSE-UHFFFAOYSA-N 0 0 186.251 2.987 10 0 AFAERN Cc1c[nH]c(C(=O)C2(C)CC2)c1C 306411066 345270501 /nfs/dbraw/zinc/27/05/01/345270501.db2.gz UQMQNUYGQZWGJJ-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN C[C@H]1CC[C@H]1Nc1ccnc(Cl)c1 306412108 345270711 /nfs/dbraw/zinc/27/07/11/345270711.db2.gz PLASKLIFIMHINV-IONNQARKSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1ccnc(Cl)c1 306412109 345270817 /nfs/dbraw/zinc/27/08/17/345270817.db2.gz PLASKLIFIMHINV-VXNVDRBHSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1ccnc(Cl)c1 306412107 345270843 /nfs/dbraw/zinc/27/08/43/345270843.db2.gz PLASKLIFIMHINV-CBAPKCEASA-N 0 0 196.681 2.945 10 0 AFAERN CCc1ccc(CC)c(NC)c1 306411673 345271042 /nfs/dbraw/zinc/27/10/42/345271042.db2.gz KXKSZUVZCBYJFB-UHFFFAOYSA-N 0 0 163.264 2.853 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1ccnc(Cl)c1 306412106 345271070 /nfs/dbraw/zinc/27/10/70/345271070.db2.gz PLASKLIFIMHINV-APPZFPTMSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H](Nc1ccsc1)c1cn[nH]c1 306413323 345272204 /nfs/dbraw/zinc/27/22/04/345272204.db2.gz SDKHEZSUBDNHRJ-ZETCQYMHSA-N 0 0 193.275 2.644 10 0 AFAERN C[C@@H](Nc1ccsc1)c1cn[nH]c1 306413321 345272261 /nfs/dbraw/zinc/27/22/61/345272261.db2.gz SDKHEZSUBDNHRJ-SSDOTTSWSA-N 0 0 193.275 2.644 10 0 AFAERN Nc1cncc(C2=CCCCC2)c1 306413656 345272360 /nfs/dbraw/zinc/27/23/60/345272360.db2.gz TWSYEYPKVJZNRM-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN Oc1csc(NC2CCCCC2)n1 306414025 345272651 /nfs/dbraw/zinc/27/26/51/345272651.db2.gz UNXPTKLKRCEFQX-UHFFFAOYSA-N 0 0 198.291 2.593 10 0 AFAERN CCc1cnc(NC2CC=CC2)s1 306417386 345275446 /nfs/dbraw/zinc/27/54/46/345275446.db2.gz SCRFCMYAAZUESG-UHFFFAOYSA-N 0 0 194.303 2.836 10 0 AFAERN O=C1CCCCC[C@H]1c1ccsn1 306419782 345276954 /nfs/dbraw/zinc/27/69/54/345276954.db2.gz WAPTUZQJCNISND-QMMMGPOBSA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCCC[C@@H]1c1ccsn1 306419780 345277006 /nfs/dbraw/zinc/27/70/06/345277006.db2.gz WAPTUZQJCNISND-MRVPVSSYSA-N 0 0 195.287 2.760 10 0 AFAERN CC(C)[NH2+]Cc1csc(Cl)c1 306448989 345309139 /nfs/dbraw/zinc/30/91/39/345309139.db2.gz XPAAIIATPIIDGP-UHFFFAOYSA-N 0 0 189.711 2.900 10 0 AFAERN Cc1cc(NCc2ccsc2)on1 306422178 345279102 /nfs/dbraw/zinc/27/91/02/345279102.db2.gz HKEQCMLWFMXZRD-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN CC1(C)CCC([C@@H]([NH3+])C(F)F)CC1 306422755 345279779 /nfs/dbraw/zinc/27/97/79/345279779.db2.gz DQBNGCXFZGEQGA-MRVPVSSYSA-N 0 0 191.265 2.795 10 0 AFAERN CCc1cc(C)sc1C(C)=O 306422528 345279976 /nfs/dbraw/zinc/27/99/76/345279976.db2.gz DUEGMXOIVUTYJO-UHFFFAOYSA-N 0 0 168.261 2.822 10 0 AFAERN CC1(C)CCC([C@H]([NH3+])C(F)F)CC1 306422756 345279990 /nfs/dbraw/zinc/27/99/90/345279990.db2.gz DQBNGCXFZGEQGA-QMMMGPOBSA-N 0 0 191.265 2.795 10 0 AFAERN CC(C)CSCCCF 306423207 345280698 /nfs/dbraw/zinc/28/06/98/345280698.db2.gz BAZFKJPNIBKNKO-UHFFFAOYSA-N 0 0 150.262 2.735 10 0 AFAERN Cc1cnc(SC(C)(C)C)nc1 306425602 345282266 /nfs/dbraw/zinc/28/22/66/345282266.db2.gz HGVKGEHRGHKJPF-UHFFFAOYSA-N 0 0 182.292 2.676 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1cccnc1Cl 306425693 345282875 /nfs/dbraw/zinc/28/28/75/345282875.db2.gz HMYJRJZJKOFQRR-SFYZADRCSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1cccnc1Cl 306425689 345282937 /nfs/dbraw/zinc/28/29/37/345282937.db2.gz HMYJRJZJKOFQRR-HTQZYQBOSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1cccnc1Cl 306425694 345283163 /nfs/dbraw/zinc/28/31/63/345283163.db2.gz HMYJRJZJKOFQRR-YUMQZZPRSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CC[C@H]1Nc1cccnc1Cl 306425691 345283273 /nfs/dbraw/zinc/28/32/73/345283273.db2.gz HMYJRJZJKOFQRR-JGVFFNPUSA-N 0 0 196.681 2.945 10 0 AFAERN CC(C)CN1CCCC[C@@H]1C(F)F 306427020 345283980 /nfs/dbraw/zinc/28/39/80/345283980.db2.gz KOKDIZKIVHHIGA-SECBINFHSA-N 0 0 191.265 2.762 10 0 AFAERN CC(C)[C@H](C)c1noc(C2CC2)n1 306427003 345284034 /nfs/dbraw/zinc/28/40/34/345284034.db2.gz IRYZSCQBJLGXFC-ZETCQYMHSA-N 0 0 180.251 2.707 10 0 AFAERN CC(C)[C@@H](C)c1noc(C2CC2)n1 306427002 345284146 /nfs/dbraw/zinc/28/41/46/345284146.db2.gz IRYZSCQBJLGXFC-SSDOTTSWSA-N 0 0 180.251 2.707 10 0 AFAERN Cc1cncc(N[C@H]2CCC2(C)C)c1 306427886 345284997 /nfs/dbraw/zinc/28/49/97/345284997.db2.gz JUPLFSINLVXGRH-NSHDSACASA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@H]1CCCC[C@@H]1N1CC(F)C1 306427898 345285117 /nfs/dbraw/zinc/28/51/17/345285117.db2.gz JVXCZKOAWQRWGT-ONGXEEELSA-N 0 0 185.286 2.609 10 0 AFAERN CC[C@@H]1CCCC[C@H]1N1CC(F)C1 306427897 345285278 /nfs/dbraw/zinc/28/52/78/345285278.db2.gz JVXCZKOAWQRWGT-MWLCHTKSSA-N 0 0 185.286 2.609 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1N1CC(F)C1 306427896 345285287 /nfs/dbraw/zinc/28/52/87/345285287.db2.gz JVXCZKOAWQRWGT-KOLCDFICSA-N 0 0 185.286 2.609 10 0 AFAERN CC[C@H]1CCCC[C@H]1N1CC(F)C1 306427895 345285338 /nfs/dbraw/zinc/28/53/38/345285338.db2.gz JVXCZKOAWQRWGT-GXSJLCMTSA-N 0 0 185.286 2.609 10 0 AFAERN Cc1cncc(N[C@@H]2CCC2(C)C)c1 306427885 345285423 /nfs/dbraw/zinc/28/54/23/345285423.db2.gz JUPLFSINLVXGRH-LLVKDONJSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1occc1-c1ccccc1N 306428642 345286076 /nfs/dbraw/zinc/28/60/76/345286076.db2.gz NAKPYXBUSXCYAF-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN COc1cc(F)cc2c1NCC[C@H]2C 306429160 345286429 /nfs/dbraw/zinc/28/64/29/345286429.db2.gz OGKFETBEMMHMDD-SSDOTTSWSA-N 0 0 195.237 2.753 10 0 AFAERN COc1cc(F)cc2c1NCC[C@@H]2C 306429161 345286561 /nfs/dbraw/zinc/28/65/61/345286561.db2.gz OGKFETBEMMHMDD-ZETCQYMHSA-N 0 0 195.237 2.753 10 0 AFAERN CC(C)=C(C)c1nnc(C(F)F)o1 306429534 345287310 /nfs/dbraw/zinc/28/73/10/345287310.db2.gz PDDNGVGYOXRIDN-UHFFFAOYSA-N 0 0 188.177 2.821 10 0 AFAERN Cc1cnc(CSC(C)(C)C)cn1 306429544 345287656 /nfs/dbraw/zinc/28/76/56/345287656.db2.gz PEHHMWUXCZNNJZ-UHFFFAOYSA-N 0 0 196.319 2.817 10 0 AFAERN CC[C@@H](C)C(=O)c1cncc(Cl)c1 306431039 345289335 /nfs/dbraw/zinc/28/93/35/345289335.db2.gz QUHHTWKJLQIKFK-SSDOTTSWSA-N 0 0 197.665 2.964 10 0 AFAERN CC[C@H](C)C(=O)c1cncc(Cl)c1 306431040 345289556 /nfs/dbraw/zinc/28/95/56/345289556.db2.gz QUHHTWKJLQIKFK-ZETCQYMHSA-N 0 0 197.665 2.964 10 0 AFAERN CC1(C)CC(OC(=O)C(C)(C)C)C1 306433506 345293109 /nfs/dbraw/zinc/29/31/09/345293109.db2.gz XASLPHGNSTVISJ-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN CC1(OC(=O)C=C2CCC2)CCC1 306433501 345293250 /nfs/dbraw/zinc/29/32/50/345293250.db2.gz XAIKXCPEHHGWQD-UHFFFAOYSA-N 0 0 180.247 2.583 10 0 AFAERN CC(C)c1csc(-c2cn[nH]c2)n1 306433978 345293781 /nfs/dbraw/zinc/29/37/81/345293781.db2.gz YNXNYPAKKBFKTE-UHFFFAOYSA-N 0 0 193.275 2.657 10 0 AFAERN CC(C)N1CCCC[C@H]1C(F)F 306434384 345294368 /nfs/dbraw/zinc/29/43/68/345294368.db2.gz ZUEZKORPMDVNIM-QMMMGPOBSA-N 0 0 177.238 2.514 10 0 AFAERN CC(C)N1CCCC[C@@H]1C(F)F 306434383 345294375 /nfs/dbraw/zinc/29/43/75/345294375.db2.gz ZUEZKORPMDVNIM-MRVPVSSYSA-N 0 0 177.238 2.514 10 0 AFAERN Cc1cccc(C(=O)C(C)(F)F)c1 306436240 345296630 /nfs/dbraw/zinc/29/66/30/345296630.db2.gz FWZKTKVAPJIHKQ-UHFFFAOYSA-N 0 0 184.185 2.833 10 0 AFAERN CCc1nsc(SC(C)C)n1 306437084 345297643 /nfs/dbraw/zinc/29/76/43/345297643.db2.gz DYSDBSXINJAFJA-UHFFFAOYSA-N 0 0 188.321 2.601 10 0 AFAERN C[C@@H](CC1CCCC1)N1CC(F)C1 306437595 345298372 /nfs/dbraw/zinc/29/83/72/345298372.db2.gz LWBBEEUCDYDFJT-VIFPVBQESA-N 0 0 185.286 2.609 10 0 AFAERN CC[C@@H]1CCc2ccccc2N1C 306439477 345299658 /nfs/dbraw/zinc/29/96/58/345299658.db2.gz NGYVZKHAUMWDPZ-LLVKDONJSA-N 0 0 175.275 2.848 10 0 AFAERN CC[C@H]1CCc2ccccc2N1C 306439478 345299553 /nfs/dbraw/zinc/29/95/53/345299553.db2.gz NGYVZKHAUMWDPZ-NSHDSACASA-N 0 0 175.275 2.848 10 0 AFAERN C/C=C/Cn1cnc(Cl)c1Cl 306439724 345300670 /nfs/dbraw/zinc/30/06/70/345300670.db2.gz HHAWTHVENLHQNK-NSCUHMNNSA-N 0 0 191.061 2.766 10 0 AFAERN CCNc1c(Cl)ccc2c1CCO2 306440300 345300686 /nfs/dbraw/zinc/30/06/86/345300686.db2.gz HRGIWYMOEBWFFB-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN CC(=O)[C@H]1CCCC12CCCC2 306440520 345301395 /nfs/dbraw/zinc/30/13/95/345301395.db2.gz QMQFFLZIQTUFFK-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN CC(=O)[C@@H]1CCCC12CCCC2 306440518 345301492 /nfs/dbraw/zinc/30/14/92/345301492.db2.gz QMQFFLZIQTUFFK-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN Clc1ccc(-c2cscn2)cn1 306442861 345303347 /nfs/dbraw/zinc/30/33/47/345303347.db2.gz PRODKMLGZLEBMF-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN CC[C@@H](NO)c1ccc(C)cc1C 306445263 345305170 /nfs/dbraw/zinc/30/51/70/345305170.db2.gz AZGHOCUYBWBLFB-LLVKDONJSA-N 0 0 179.263 2.733 10 0 AFAERN COc1ccsc1C(=O)C1(C)CC1 306444945 345305329 /nfs/dbraw/zinc/30/53/29/345305329.db2.gz AUPMRXGCMNTOLI-UHFFFAOYSA-N 0 0 196.271 2.740 10 0 AFAERN FC1(CNc2ccccc2)CC1 306446093 345305729 /nfs/dbraw/zinc/30/57/29/345305729.db2.gz UNWPLYZSRUVFSS-UHFFFAOYSA-N 0 0 165.211 2.601 10 0 AFAERN CC1(C[C@@H](O)C(F)(F)Cl)CCC1 306446620 345306299 /nfs/dbraw/zinc/30/62/99/345306299.db2.gz BONQTLBSBMUTMF-ZCFIWIBFSA-N 0 0 198.640 2.759 10 0 AFAERN CC[C@H](C)[C@H](O)[C@H]1CCCSC1 306446998 345306818 /nfs/dbraw/zinc/30/68/18/345306818.db2.gz CHYTZBRVDFPCOW-GUBZILKMSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@H](C)[C@H](O)[C@@H]1CCCSC1 306446997 345307040 /nfs/dbraw/zinc/30/70/40/345307040.db2.gz CHYTZBRVDFPCOW-AEJSXWLSSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@@H]1CCCSC1 306446999 345307051 /nfs/dbraw/zinc/30/70/51/345307051.db2.gz CHYTZBRVDFPCOW-IVZWLZJFSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@H]1CCCSC1 306447000 345307076 /nfs/dbraw/zinc/30/70/76/345307076.db2.gz CHYTZBRVDFPCOW-LPEHRKFASA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@H](C)C1=C[C@H](O)C[C@@H](C)C1 306448496 345308301 /nfs/dbraw/zinc/30/83/01/345308301.db2.gz IQXXFQFVJLVNBR-ATZCPNFKSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)CC1(C)CCC1 306448465 345308378 /nfs/dbraw/zinc/30/83/78/345308378.db2.gz ILFMMZWXNLJQGT-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](C)C1=C[C@@H](O)C[C@H](C)C1 306448648 345308382 /nfs/dbraw/zinc/30/83/82/345308382.db2.gz IQXXFQFVJLVNBR-YWVKMMECSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@H](C)C1=C[C@@H](O)C[C@@H](C)C1 306448498 345308520 /nfs/dbraw/zinc/30/85/20/345308520.db2.gz IQXXFQFVJLVNBR-QXEWZRGKSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)CC1(C)CCC1 306448463 345308547 /nfs/dbraw/zinc/30/85/47/345308547.db2.gz ILFMMZWXNLJQGT-BDAKNGLRSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](C)C1=C[C@H](O)C[C@H](C)C1 306448500 345308820 /nfs/dbraw/zinc/30/88/20/345308820.db2.gz IQXXFQFVJLVNBR-WCABBAIRSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)CC1(C)CCC1 306448466 345308864 /nfs/dbraw/zinc/30/88/64/345308864.db2.gz ILFMMZWXNLJQGT-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C[C@H]1C(=O)CC1(C)CCC1 306448464 345308907 /nfs/dbraw/zinc/30/89/07/345308907.db2.gz ILFMMZWXNLJQGT-DTWKUNHWSA-N 0 0 166.264 2.792 10 0 AFAERN Nc1cc(Cl)cnc1-c1ccco1 306449007 345309123 /nfs/dbraw/zinc/30/91/23/345309123.db2.gz XRRMHQQRWBUJCI-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CC[C@@H](C)Nc1cccc2c1CCO2 306449060 345309129 /nfs/dbraw/zinc/30/91/29/345309129.db2.gz XXZWBBKPTBXITI-SECBINFHSA-N 0 0 191.274 2.832 10 0 AFAERN CC[C@H](C)Nc1cccc2c1CCO2 306449061 345309196 /nfs/dbraw/zinc/30/91/96/345309196.db2.gz XXZWBBKPTBXITI-VIFPVBQESA-N 0 0 191.274 2.832 10 0 AFAERN CSCOc1cccc(C)c1F 306449666 345309980 /nfs/dbraw/zinc/30/99/80/345309980.db2.gz BCFXYNDRMUWNNI-UHFFFAOYSA-N 0 0 186.251 2.833 10 0 AFAERN Clc1cc(CC[C@H]2CO2)cs1 306449984 345310005 /nfs/dbraw/zinc/31/00/05/345310005.db2.gz BIPKKUOUAXULJS-ZETCQYMHSA-N 0 0 188.679 2.733 10 0 AFAERN Clc1cc(CC[C@@H]2CO2)cs1 306449983 345310189 /nfs/dbraw/zinc/31/01/89/345310189.db2.gz BIPKKUOUAXULJS-SSDOTTSWSA-N 0 0 188.679 2.733 10 0 AFAERN CC[C@H](C)Nc1ncc(C)s1 306450193 345310669 /nfs/dbraw/zinc/31/06/69/345310669.db2.gz BTDBEGAKAUKRLG-LURJTMIESA-N 0 0 170.281 2.662 10 0 AFAERN CC1(C)OC(C)(C)c2scnc21 306450645 345311204 /nfs/dbraw/zinc/31/12/04/345311204.db2.gz QDMWIBKOJLNCIX-UHFFFAOYSA-N 0 0 183.276 2.644 10 0 AFAERN C[C@@H]1CSC[C@@H]1Nc1ccsc1 306451152 345311582 /nfs/dbraw/zinc/31/15/82/345311582.db2.gz BGWRXJBMRGTQQB-APPZFPTMSA-N 0 0 199.344 2.912 10 0 AFAERN C[C@H]1CSC[C@@H]1Nc1ccsc1 306451154 345311597 /nfs/dbraw/zinc/31/15/97/345311597.db2.gz BGWRXJBMRGTQQB-CBAPKCEASA-N 0 0 199.344 2.912 10 0 AFAERN C[C@H]1CSC[C@H]1Nc1ccsc1 306451155 345311653 /nfs/dbraw/zinc/31/16/53/345311653.db2.gz BGWRXJBMRGTQQB-IONNQARKSA-N 0 0 199.344 2.912 10 0 AFAERN C[C@@H]1CSC[C@H]1Nc1ccsc1 306451157 345311654 /nfs/dbraw/zinc/31/16/54/345311654.db2.gz BGWRXJBMRGTQQB-VXNVDRBHSA-N 0 0 199.344 2.912 10 0 AFAERN [NH3+]Cc1cc(C2=CCCC2)cs1 306452071 345312284 /nfs/dbraw/zinc/31/22/84/345312284.db2.gz DUMVXEXXAIWQJQ-UHFFFAOYSA-N 0 0 179.288 2.774 10 0 AFAERN Cc1nc(N[C@H]2CC[C@H]2C)sc1C 306452112 345312820 /nfs/dbraw/zinc/31/28/20/345312820.db2.gz FIOKSJMNMQDGFG-MUWHJKNJSA-N 0 0 196.319 2.970 10 0 AFAERN Cc1nc(N[C@H]2CC[C@@H]2C)sc1C 306452113 345312637 /nfs/dbraw/zinc/31/26/37/345312637.db2.gz FIOKSJMNMQDGFG-RCOVLWMOSA-N 0 0 196.319 2.970 10 0 AFAERN Cc1nc(N[C@@H]2CC[C@H]2C)sc1C 306452110 345312760 /nfs/dbraw/zinc/31/27/60/345312760.db2.gz FIOKSJMNMQDGFG-HZGVNTEJSA-N 0 0 196.319 2.970 10 0 AFAERN Cc1nc(N[C@@H]2CC[C@@H]2C)sc1C 306452111 345312821 /nfs/dbraw/zinc/31/28/21/345312821.db2.gz FIOKSJMNMQDGFG-IMTBSYHQSA-N 0 0 196.319 2.970 10 0 AFAERN COc1c(F)ccc(F)c1SC 306452986 345313115 /nfs/dbraw/zinc/31/31/15/345313115.db2.gz IAXBDTSNTAFGJB-UHFFFAOYSA-N 0 0 190.214 2.695 10 0 AFAERN CC[C@H](NO)c1cc(F)ccc1C 306455260 345314875 /nfs/dbraw/zinc/31/48/75/345314875.db2.gz NRYQBCVETFSVAB-JTQLQIEISA-N 0 0 183.226 2.564 10 0 AFAERN CC[C@H]1CCc2cc(N)ccc21 306456332 345316227 /nfs/dbraw/zinc/31/62/27/345316227.db2.gz SIFFXJPKLVEZQZ-QMMMGPOBSA-N 0 0 161.248 2.709 10 0 AFAERN CC[C@@H]1CCc2cc(N)ccc21 306456331 345316242 /nfs/dbraw/zinc/31/62/42/345316242.db2.gz SIFFXJPKLVEZQZ-MRVPVSSYSA-N 0 0 161.248 2.709 10 0 AFAERN COc1cc2c(cc1C)NCCS2 306456946 345316703 /nfs/dbraw/zinc/31/67/03/345316703.db2.gz XMIOCBFBCJNZNF-UHFFFAOYSA-N 0 0 195.287 2.521 10 0 AFAERN CCCC(=O)c1cnc(C)c(C)c1 306456847 345316740 /nfs/dbraw/zinc/31/67/40/345316740.db2.gz WVBVSTIAUYOEHM-UHFFFAOYSA-N 0 0 177.247 2.681 10 0 AFAERN CNc1c(F)cc(Cl)c(C)c1F 306457631 345317509 /nfs/dbraw/zinc/31/75/09/345317509.db2.gz BHHYQRVTZNUNQY-UHFFFAOYSA-N 0 0 191.608 2.968 10 0 AFAERN FCCSc1ccc(F)cc1 306459105 345318648 /nfs/dbraw/zinc/31/86/48/345318648.db2.gz GGHOXLOLGQABTM-UHFFFAOYSA-N 0 0 174.215 2.887 10 0 AFAERN Cc1noc(C=C2CCCCC2)n1 306459247 345318678 /nfs/dbraw/zinc/31/86/78/345318678.db2.gz DQYLISFHUBQSFN-UHFFFAOYSA-N 0 0 178.235 2.726 10 0 AFAERN CCc1nc(C(C)(C)F)cs1 306458960 345318806 /nfs/dbraw/zinc/31/88/06/345318806.db2.gz GCNDYZBAWKLPJV-UHFFFAOYSA-N 0 0 173.256 2.910 10 0 AFAERN Cc1oncc1NCc1cccs1 306459941 345319203 /nfs/dbraw/zinc/31/92/03/345319203.db2.gz FDOYZJLHWUHPAY-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN Cc1ccc(C)n1C[C@@](C)(O)C(C)C 306461266 345320487 /nfs/dbraw/zinc/32/04/87/345320487.db2.gz GAKINEFGNLNFFT-GFCCVEGCSA-N 0 0 195.306 2.512 10 0 AFAERN Cc1ccc(C)n1C[C@](C)(O)C(C)C 306461272 345320496 /nfs/dbraw/zinc/32/04/96/345320496.db2.gz GAKINEFGNLNFFT-LBPRGKRZSA-N 0 0 195.306 2.512 10 0 AFAERN Cc1ccncc1NCC1(C)CC1 306461971 345321563 /nfs/dbraw/zinc/32/15/63/345321563.db2.gz GNIZGXLLBOUEAG-UHFFFAOYSA-N 0 0 176.263 2.602 10 0 AFAERN CCCC(=O)c1sccc1F 306461964 345321692 /nfs/dbraw/zinc/32/16/92/345321692.db2.gz JTPVRFDRDCENFF-UHFFFAOYSA-N 0 0 172.224 2.870 10 0 AFAERN CC(C)[C@H](C)Sc1nncs1 306462353 345322088 /nfs/dbraw/zinc/32/20/88/345322088.db2.gz HHCYWZOGVKNZKY-LURJTMIESA-N 0 0 188.321 2.675 10 0 AFAERN C[C@@H]1C[C@H]1[C@@](C)(O)C1=CCCCC1 306463806 345324033 /nfs/dbraw/zinc/32/40/33/345324033.db2.gz BYOVNKNHUFMDPJ-JLLWLGSASA-N 0 0 180.291 2.894 10 0 AFAERN C[C@@H]1C[C@H]1[C@](C)(O)C1=CCCCC1 306463809 345323961 /nfs/dbraw/zinc/32/39/61/345323961.db2.gz BYOVNKNHUFMDPJ-YUSALJHKSA-N 0 0 180.291 2.894 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@](C)(O)C1=CCCCC1 306463808 345324181 /nfs/dbraw/zinc/32/41/81/345324181.db2.gz BYOVNKNHUFMDPJ-USWWRNFRSA-N 0 0 180.291 2.894 10 0 AFAERN Cc1ccc([C@H](C)N2CC(F)C2)s1 306464232 345324483 /nfs/dbraw/zinc/32/44/83/345324483.db2.gz CIXMMYHUCCFKJX-QMMMGPOBSA-N 0 0 199.294 2.771 10 0 AFAERN Cc1ccc([C@@H](C)N2CC(F)C2)s1 306464230 345324580 /nfs/dbraw/zinc/32/45/80/345324580.db2.gz CIXMMYHUCCFKJX-MRVPVSSYSA-N 0 0 199.294 2.771 10 0 AFAERN CC(C)=C[C@H](O)c1cc(C)cc(C)n1 306464651 345324914 /nfs/dbraw/zinc/32/49/14/345324914.db2.gz AWGPMZQYMGKACS-LBPRGKRZSA-N 0 0 191.274 2.698 10 0 AFAERN CC(C)=C[C@@H](O)c1cc(C)cc(C)n1 306464650 345325148 /nfs/dbraw/zinc/32/51/48/345325148.db2.gz AWGPMZQYMGKACS-GFCCVEGCSA-N 0 0 191.274 2.698 10 0 AFAERN C[C@@H](c1cccnc1Cl)N1CCC1 306465511 345326036 /nfs/dbraw/zinc/32/60/36/345326036.db2.gz DWKPKZIBKDSSST-QMMMGPOBSA-N 0 0 196.681 2.502 10 0 AFAERN C[C@H]1CC[C@H]1Nc1ccsc1 306466315 345327178 /nfs/dbraw/zinc/32/71/78/345327178.db2.gz PFXMFQOHPQGYPH-IONNQARKSA-N 0 0 167.277 2.959 10 0 AFAERN CC(C)(F)C(=O)c1cccs1 306466283 345327309 /nfs/dbraw/zinc/32/73/09/345327309.db2.gz PAKLLOUUGFVLMP-UHFFFAOYSA-N 0 0 172.224 2.679 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1ccsc1 306466317 345327323 /nfs/dbraw/zinc/32/73/23/345327323.db2.gz PFXMFQOHPQGYPH-VXNVDRBHSA-N 0 0 167.277 2.959 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1ccsc1 306466313 345327509 /nfs/dbraw/zinc/32/75/09/345327509.db2.gz PFXMFQOHPQGYPH-APPZFPTMSA-N 0 0 167.277 2.959 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1ccsc1 306466314 345327567 /nfs/dbraw/zinc/32/75/67/345327567.db2.gz PFXMFQOHPQGYPH-CBAPKCEASA-N 0 0 167.277 2.959 10 0 AFAERN Cc1ccc(C(=O)C2CCC2)nc1C 306466882 345328008 /nfs/dbraw/zinc/32/80/08/345328008.db2.gz LCLQOHWNVBWEBL-UHFFFAOYSA-N 0 0 189.258 2.681 10 0 AFAERN c1csc(Sc2cn[nH]c2)c1 306467511 345328256 /nfs/dbraw/zinc/32/82/56/345328256.db2.gz QWADQSYOSAFOOV-UHFFFAOYSA-N 0 0 182.273 2.622 10 0 AFAERN CC(C)Nc1nc2c(F)cccc2o1 306467558 345328495 /nfs/dbraw/zinc/32/84/95/345328495.db2.gz MGFRBYJBMHXGAB-UHFFFAOYSA-N 0 0 194.209 2.787 10 0 AFAERN S=c1[nH]cncc1C1=CCCC1 306467580 345328781 /nfs/dbraw/zinc/32/87/81/345328781.db2.gz MJPSUKSDBZYSNB-UHFFFAOYSA-N 0 0 178.260 2.706 10 0 AFAERN C[C@H]1C[C@H]1Nc1csc(Cl)n1 306468759 345330555 /nfs/dbraw/zinc/33/05/55/345330555.db2.gz SUIPKAPMRXMABK-CRCLSJGQSA-N 0 0 188.683 2.617 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1csc(Cl)n1 306468762 345330702 /nfs/dbraw/zinc/33/07/02/345330702.db2.gz SUIPKAPMRXMABK-UHNVWZDZSA-N 0 0 188.683 2.617 10 0 AFAERN CC(C)C[C@@]1(O)CCC1(C)C 306470027 345332854 /nfs/dbraw/zinc/33/28/54/345332854.db2.gz QDRLBDFXRIEMOT-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@]1(O)CCC1(C)C 306470028 345332959 /nfs/dbraw/zinc/33/29/59/345332959.db2.gz QDRLBDFXRIEMOT-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN COC(=N)CC1CCCCC1 306470779 345334047 /nfs/dbraw/zinc/33/40/47/345334047.db2.gz RDKINBKZMRKBFE-UHFFFAOYSA-N 0 0 155.241 2.580 10 0 AFAERN CCC[C@H](O)c1ccc(C)c(C)n1 306471108 345334093 /nfs/dbraw/zinc/33/40/93/345334093.db2.gz RHYUNYAYIOQPFK-NSHDSACASA-N 0 0 179.263 2.532 10 0 AFAERN Cc1ccc(C(=O)C(C)(C)C)nc1C 306472359 345335960 /nfs/dbraw/zinc/33/59/60/345335960.db2.gz SRVFVPCAPPKHMF-UHFFFAOYSA-N 0 0 191.274 2.927 10 0 AFAERN CC/C=C/C(=O)Nc1ccsc1 306472559 345336489 /nfs/dbraw/zinc/33/64/89/345336489.db2.gz CCPPBXVILARJTG-ONEGZZNKSA-N 0 0 181.260 2.653 10 0 AFAERN CC[C@@H](NO)c1ccc(C)c(F)c1 306472854 345336918 /nfs/dbraw/zinc/33/69/18/345336918.db2.gz TVXMUDNNKIHLDB-SNVBAGLBSA-N 0 0 183.226 2.564 10 0 AFAERN Fc1cccc(N[C@@H]2CCC[C@@H]2F)n1 306473594 345337484 /nfs/dbraw/zinc/33/74/84/345337484.db2.gz UVLONECEBCDEQZ-JGVFFNPUSA-N 0 0 198.216 2.523 10 0 AFAERN CC(C)n1nccc1NC1CCCC1 306474443 345338984 /nfs/dbraw/zinc/33/89/84/345338984.db2.gz VZDRCPAGXZHOPG-UHFFFAOYSA-N 0 0 193.294 2.819 10 0 AFAERN FC(F)C1=CSC2=CCCCN21 306474510 345339015 /nfs/dbraw/zinc/33/90/15/345339015.db2.gz FZOWMNOJPJSATD-UHFFFAOYSA-N 0 0 189.230 2.777 10 0 AFAERN O=Cc1ncc(C2=CCCCC2)s1 306475402 345340327 /nfs/dbraw/zinc/34/03/27/345340327.db2.gz XUKWGSGWQQKUEV-UHFFFAOYSA-N 0 0 193.271 2.913 10 0 AFAERN Cc1nccn1CC1(C)CCCC1 306475486 345340609 /nfs/dbraw/zinc/34/06/09/345340609.db2.gz HTBLKIXMCQPDEA-UHFFFAOYSA-N 0 0 178.279 2.772 10 0 AFAERN CC1(C[C@H](O)c2ccncc2)CCC1 306476506 345342086 /nfs/dbraw/zinc/34/20/86/345342086.db2.gz YDQXGIGVPGPMFR-NSHDSACASA-N 0 0 191.274 2.695 10 0 AFAERN CC1(C[C@@H](O)c2ccncc2)CCC1 306476505 345342134 /nfs/dbraw/zinc/34/21/34/345342134.db2.gz YDQXGIGVPGPMFR-LLVKDONJSA-N 0 0 191.274 2.695 10 0 AFAERN CCNc1ccc(CC)c(F)c1 306476321 345342243 /nfs/dbraw/zinc/34/22/43/345342243.db2.gz JAXKVURSJJPVNY-UHFFFAOYSA-N 0 0 167.227 2.820 10 0 AFAERN c1cc(NCC2CC2)nc(C2CC2)c1 306476465 345342370 /nfs/dbraw/zinc/34/23/70/345342370.db2.gz YAGYXSRIDVIPTR-UHFFFAOYSA-N 0 0 188.274 2.781 10 0 AFAERN S=c1cccc(-c2ccsn2)[nH]1 306476902 345342900 /nfs/dbraw/zinc/34/29/00/345342900.db2.gz YMJWBPZUUXYLJK-UHFFFAOYSA-N 0 0 194.284 2.868 10 0 AFAERN CC[C@H]1CC[C@H](C(C)=O)CC1 306477375 345343643 /nfs/dbraw/zinc/34/36/43/345343643.db2.gz AWPNHNUSHIWYTJ-MGCOHNPYSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1nn(CC[C@H](C)F)c(C)c1C 306478512 345344778 /nfs/dbraw/zinc/34/47/78/345344778.db2.gz HNEDSKPJJHYROR-ZETCQYMHSA-N 0 0 184.258 2.556 10 0 AFAERN Cc1nn(CC[C@@H](C)F)c(C)c1C 306478509 345344889 /nfs/dbraw/zinc/34/48/89/345344889.db2.gz HNEDSKPJJHYROR-SSDOTTSWSA-N 0 0 184.258 2.556 10 0 AFAERN CC[C@](O)(C1CCC1)C(C)(C)C 306479036 345345394 /nfs/dbraw/zinc/34/53/94/345345394.db2.gz ASOYMHQRCLZDJP-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@](O)(C1CCC1)C(C)(C)C 306479035 345345620 /nfs/dbraw/zinc/34/56/20/345345620.db2.gz ASOYMHQRCLZDJP-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CCNc1ccc(SC)c(F)c1 306480091 345347231 /nfs/dbraw/zinc/34/72/31/345347231.db2.gz MXUSKPCJTOACPL-UHFFFAOYSA-N 0 0 185.267 2.979 10 0 AFAERN CC(C)C(Nc1cn[nH]c1)C(C)C 306480722 345348664 /nfs/dbraw/zinc/34/86/64/345348664.db2.gz NEVIEOVMBSXOIR-UHFFFAOYSA-N 0 0 181.283 2.502 10 0 AFAERN CNc1nc([C@H]2C[C@@H]2C)c(C)s1 306481239 345349120 /nfs/dbraw/zinc/34/91/20/345349120.db2.gz JQVLHUJKVOFNDT-FSPLSTOPSA-N 0 0 182.292 2.617 10 0 AFAERN CNc1nc([C@H]2C[C@H]2C)c(C)s1 306481243 345349169 /nfs/dbraw/zinc/34/91/69/345349169.db2.gz JQVLHUJKVOFNDT-VDTYLAMSSA-N 0 0 182.292 2.617 10 0 AFAERN CNc1nc([C@@H]2C[C@H]2C)c(C)s1 306481241 345349310 /nfs/dbraw/zinc/34/93/10/345349310.db2.gz JQVLHUJKVOFNDT-IYSWYEEDSA-N 0 0 182.292 2.617 10 0 AFAERN CNc1nc([C@@H]2C[C@@H]2C)c(C)s1 306481238 345349335 /nfs/dbraw/zinc/34/93/35/345349335.db2.gz JQVLHUJKVOFNDT-CAHLUQPWSA-N 0 0 182.292 2.617 10 0 AFAERN Cc1ccc(-c2ccccc2O)nc1 306481056 345349440 /nfs/dbraw/zinc/34/94/40/345349440.db2.gz FRLTZFHLZZKDQZ-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CCCc1noc([C@@H]2CC2(C)C)n1 306483256 345351816 /nfs/dbraw/zinc/35/18/16/345351816.db2.gz MLJOEHHOCNTZCR-ZETCQYMHSA-N 0 0 180.251 2.536 10 0 AFAERN Cc1ccn(OCC(C)C)c(=S)c1 306483302 345351866 /nfs/dbraw/zinc/35/18/66/345351866.db2.gz FBTVHATZOBWXBM-UHFFFAOYSA-N 0 0 197.303 2.611 10 0 AFAERN CC1(C[C@H](O)c2cscn2)CCC1 306484549 345353312 /nfs/dbraw/zinc/35/33/12/345353312.db2.gz GDQFNLKODNWLKV-VIFPVBQESA-N 0 0 197.303 2.757 10 0 AFAERN CC1(C[C@@H](O)c2cscn2)CCC1 306484548 345353368 /nfs/dbraw/zinc/35/33/68/345353368.db2.gz GDQFNLKODNWLKV-SECBINFHSA-N 0 0 197.303 2.757 10 0 AFAERN CCCc1ccc2scnc2c1N 306484341 345353472 /nfs/dbraw/zinc/35/34/72/345353472.db2.gz PWSYTFLIECGIGD-UHFFFAOYSA-N 0 0 192.287 2.831 10 0 AFAERN C[C@@H]1CC(c2ccccc2)=C[C@@H](O)C1 306485176 345354442 /nfs/dbraw/zinc/35/44/42/345354442.db2.gz GYNNEYUBTPEHIT-MFKMUULPSA-N 0 0 188.270 2.861 10 0 AFAERN C[C@H]1CC(c2ccccc2)=C[C@@H](O)C1 306485174 345354590 /nfs/dbraw/zinc/35/45/90/345354590.db2.gz GYNNEYUBTPEHIT-GWCFXTLKSA-N 0 0 188.270 2.861 10 0 AFAERN C[C@H]1CC(c2ccccc2)=C[C@H](O)C1 306485175 345354616 /nfs/dbraw/zinc/35/46/16/345354616.db2.gz GYNNEYUBTPEHIT-GXFFZTMASA-N 0 0 188.270 2.861 10 0 AFAERN C[C@@H]1CC(c2ccccc2)=C[C@H](O)C1 306485177 345354710 /nfs/dbraw/zinc/35/47/10/345354710.db2.gz GYNNEYUBTPEHIT-ZWNOBZJWSA-N 0 0 188.270 2.861 10 0 AFAERN CC[C@H](Nc1nncs1)C1CCC1 306487117 345357126 /nfs/dbraw/zinc/35/71/26/345357126.db2.gz IOLQPJXLNSAASV-QMMMGPOBSA-N 0 0 197.307 2.529 10 0 AFAERN CCSCC1CCC1 306487236 345357753 /nfs/dbraw/zinc/35/77/53/345357753.db2.gz YGMDWNDQFAPPAI-UHFFFAOYSA-N 0 0 130.256 2.540 10 0 AFAERN C[C@@H](N[C@@H]1C=CCCC1)C(F)(F)F 306487876 345358089 /nfs/dbraw/zinc/35/80/89/345358089.db2.gz JJNHBYUOHPZJAA-HTQZYQBOSA-N 0 0 193.212 2.636 10 0 AFAERN C[C@H](N[C@@H]1C=CCCC1)C(F)(F)F 306487877 345358464 /nfs/dbraw/zinc/35/84/64/345358464.db2.gz JJNHBYUOHPZJAA-JGVFFNPUSA-N 0 0 193.212 2.636 10 0 AFAERN C[C@@H](N[C@H]1C=CCCC1)C(F)(F)F 306487878 345358495 /nfs/dbraw/zinc/35/84/95/345358495.db2.gz JJNHBYUOHPZJAA-SFYZADRCSA-N 0 0 193.212 2.636 10 0 AFAERN C[C@H](N[C@H]1C=CCCC1)C(F)(F)F 306487879 345358520 /nfs/dbraw/zinc/35/85/20/345358520.db2.gz JJNHBYUOHPZJAA-YUMQZZPRSA-N 0 0 193.212 2.636 10 0 AFAERN Cc1c(NC2CC2)n[nH]c1C1CCC1 306487919 345358544 /nfs/dbraw/zinc/35/85/44/345358544.db2.gz JUNYNCRXEXIVSS-UHFFFAOYSA-N 0 0 191.278 2.560 10 0 AFAERN CCc1oc(=S)[nH]c1C1CCC1 306488336 345359065 /nfs/dbraw/zinc/35/90/65/345359065.db2.gz KGDWDNNYLKVRMX-UHFFFAOYSA-N 0 0 183.276 2.793 10 0 AFAERN CCSc1nc(C)c(C)c(C)n1 306488418 345359204 /nfs/dbraw/zinc/35/92/04/345359204.db2.gz VAXBIFWEMDLWRA-UHFFFAOYSA-N 0 0 182.292 2.514 10 0 AFAERN CC(C)(C1CCC1)[C@@H](O)C1CCC1 306488645 345359445 /nfs/dbraw/zinc/35/94/45/345359445.db2.gz KNABANLHUJVQJX-NSHDSACASA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)(C1CCC1)[C@H](O)c1ccc[nH]1 306488751 345359461 /nfs/dbraw/zinc/35/94/61/345359461.db2.gz RWFNNXVEMBKTBZ-LLVKDONJSA-N 0 0 193.290 2.874 10 0 AFAERN CC(C)(C1CCC1)[C@H](O)C1CCC1 306488644 345359484 /nfs/dbraw/zinc/35/94/84/345359484.db2.gz KNABANLHUJVQJX-LLVKDONJSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)(C1CCC1)[C@@H](O)c1ccc[nH]1 306488752 345359585 /nfs/dbraw/zinc/35/95/85/345359585.db2.gz RWFNNXVEMBKTBZ-NSHDSACASA-N 0 0 193.290 2.874 10 0 AFAERN CNc1ccc(C2CC2)c(C)c1 306490200 345361982 /nfs/dbraw/zinc/36/19/82/345361982.db2.gz YFLNGYAYIGKMQR-UHFFFAOYSA-N 0 0 161.248 2.914 10 0 AFAERN CCNc1cc(C)c(F)cc1C 306490657 345362330 /nfs/dbraw/zinc/36/23/30/345362330.db2.gz ZDZCNZBEGWIYIH-UHFFFAOYSA-N 0 0 167.227 2.874 10 0 AFAERN Cc1cccc(Oc2ccccn2)n1 306490745 345363093 /nfs/dbraw/zinc/36/30/93/345363093.db2.gz NMZLMEVEILCUAP-UHFFFAOYSA-N 0 0 186.214 2.577 10 0 AFAERN Cc1ccc(-c2cscn2)cn1 306491377 345363593 /nfs/dbraw/zinc/36/35/93/345363593.db2.gz LSDCKHBXIWWCPW-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1occc1-c1ccccn1 306491337 345363759 /nfs/dbraw/zinc/36/37/59/345363759.db2.gz LBYYCCNOSWFEOZ-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN CC(=C1CCCC1)c1nnc(C)o1 306493947 345367396 /nfs/dbraw/zinc/36/73/96/345367396.db2.gz OUEFASATWOGPDH-UHFFFAOYSA-N 0 0 178.235 2.726 10 0 AFAERN CC1(C[C@@H](O)c2ccoc2)CCC1 306494736 345368425 /nfs/dbraw/zinc/36/84/25/345368425.db2.gz UHKSNFWYMSDNSX-SNVBAGLBSA-N 0 0 180.247 2.893 10 0 AFAERN Cc1c(NC(C)C)n[nH]c1C1CCC1 306495130 345368499 /nfs/dbraw/zinc/36/84/99/345368499.db2.gz UYORLRABFYNEQI-UHFFFAOYSA-N 0 0 193.294 2.806 10 0 AFAERN CC1(C[C@H](O)c2ccoc2)CCC1 306494735 345368552 /nfs/dbraw/zinc/36/85/52/345368552.db2.gz UHKSNFWYMSDNSX-JTQLQIEISA-N 0 0 180.247 2.893 10 0 AFAERN Cc1cc(Cl)ccc1C[NH+]1CCC1 306495594 345369116 /nfs/dbraw/zinc/36/91/16/345369116.db2.gz CDPJHERSMYPFEP-UHFFFAOYSA-N 0 0 195.693 2.854 10 0 AFAERN CC[C@@](O)(c1ccoc1)C1CCC1 306495204 345369197 /nfs/dbraw/zinc/36/91/97/345369197.db2.gz VGHGLODZVWDRPN-NSHDSACASA-N 0 0 180.247 2.677 10 0 AFAERN CSCCc1ccc(F)c(F)c1 306495943 345369626 /nfs/dbraw/zinc/36/96/26/345369626.db2.gz CPYNIPUWLXVWTO-UHFFFAOYSA-N 0 0 188.242 2.870 10 0 AFAERN CCC[C@H](O)c1cc(C)cs1 306496125 345370105 /nfs/dbraw/zinc/37/01/05/345370105.db2.gz XATLAWKKYWAOKR-QMMMGPOBSA-N 0 0 170.277 2.890 10 0 AFAERN CCC[C@@H](O)c1cc(C)cs1 306496124 345370403 /nfs/dbraw/zinc/37/04/03/345370403.db2.gz XATLAWKKYWAOKR-MRVPVSSYSA-N 0 0 170.277 2.890 10 0 AFAERN C[C@H]1CCNc2ccsc21 306496613 345370662 /nfs/dbraw/zinc/37/06/62/345370662.db2.gz XWUWVRWYZPVHSP-LURJTMIESA-N 0 0 153.250 2.667 10 0 AFAERN C[C@@H]1CCNc2ccsc21 306496614 345370702 /nfs/dbraw/zinc/37/07/02/345370702.db2.gz XWUWVRWYZPVHSP-ZCFIWIBFSA-N 0 0 153.250 2.667 10 0 AFAERN CC(C)=CC(=O)OC1CC(C)(C)C1 306496636 345370747 /nfs/dbraw/zinc/37/07/47/345370747.db2.gz XZTWEANBMACFBT-UHFFFAOYSA-N 0 0 182.263 2.684 10 0 AFAERN Nc1ccc(-c2ccsn2)c(F)c1 306497522 345371626 /nfs/dbraw/zinc/37/16/26/345371626.db2.gz GIDZXCYIIVGFHX-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1ccnc(NC2CC2)c1Cl 306498266 345372269 /nfs/dbraw/zinc/37/22/69/345372269.db2.gz TYLSIGBMBITTNY-UHFFFAOYSA-N 0 0 182.654 2.618 10 0 AFAERN CC[C@@H]1CCc2scnc21 306499567 345373285 /nfs/dbraw/zinc/37/32/85/345373285.db2.gz JWNQVACUUWYFCN-ZCFIWIBFSA-N 0 0 153.250 2.583 10 0 AFAERN CC[C@H]1CCc2scnc21 306499566 345373288 /nfs/dbraw/zinc/37/32/88/345373288.db2.gz JWNQVACUUWYFCN-LURJTMIESA-N 0 0 153.250 2.583 10 0 AFAERN COc1cccc(C(=O)C(C)(C)F)c1 306499896 345373304 /nfs/dbraw/zinc/37/33/04/345373304.db2.gz LFZKZMYAIFPFFG-UHFFFAOYSA-N 0 0 196.221 2.626 10 0 AFAERN Cc1cc(C2(O)CCCCC2)sn1 306500069 345374188 /nfs/dbraw/zinc/37/41/88/345374188.db2.gz AEMCBXVIYDDGID-UHFFFAOYSA-N 0 0 197.303 2.603 10 0 AFAERN CCCn1ccc(-c2ccco2)n1 306500052 345374269 /nfs/dbraw/zinc/37/42/69/345374269.db2.gz ABERYBMPXWIUPN-UHFFFAOYSA-N 0 0 176.219 2.553 10 0 AFAERN CC1(C(=O)[C@@H]2CCCCS2)CC1 306500846 345374555 /nfs/dbraw/zinc/37/45/55/345374555.db2.gz ZDWIFDVUMSYUST-QMMMGPOBSA-N 0 0 184.304 2.641 10 0 AFAERN CC[S@@](=O)C(C)(C)c1ccccc1 306500557 345374564 /nfs/dbraw/zinc/37/45/64/345374564.db2.gz OESAXFRPQCTCKC-CYBMUJFWSA-N 0 0 196.315 2.690 10 0 AFAERN CC1(C(=O)[C@H]2CCCCS2)CC1 306500845 345374771 /nfs/dbraw/zinc/37/47/71/345374771.db2.gz ZDWIFDVUMSYUST-MRVPVSSYSA-N 0 0 184.304 2.641 10 0 AFAERN CC[S@](=O)C(C)(C)c1ccccc1 306500558 345374809 /nfs/dbraw/zinc/37/48/09/345374809.db2.gz OESAXFRPQCTCKC-ZDUSSCGKSA-N 0 0 196.315 2.690 10 0 AFAERN CC1(c2nc(N)cs2)CCCC1 306501482 345375330 /nfs/dbraw/zinc/37/53/30/345375330.db2.gz ASXIBQLMGLBSDA-UHFFFAOYSA-N 0 0 182.292 2.557 10 0 AFAERN CC(C)(C)C(C)(C)n1cc[nH]c1=S 306502938 345376954 /nfs/dbraw/zinc/37/69/54/345376954.db2.gz PCETUKWIZZIWAQ-UHFFFAOYSA-N 0 0 198.335 2.953 10 0 AFAERN CC(=O)O[C@@H](C)C1CCCCCC1 306502883 345376992 /nfs/dbraw/zinc/37/69/92/345376992.db2.gz OZBPRLGPBAZSDM-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN Cc1ccc([C@H](C)O)c(OC2CC2)c1 306503266 345377387 /nfs/dbraw/zinc/37/73/87/345377387.db2.gz VOXXVMNRUJTQKB-VIFPVBQESA-N 0 0 192.258 2.590 10 0 AFAERN CC(C)(F)c1nc2cc(F)ccc2[nH]1 306503564 345377557 /nfs/dbraw/zinc/37/75/57/345377557.db2.gz WKPPMAMZZCBJMT-UHFFFAOYSA-N 0 0 196.200 2.907 10 0 AFAERN Cc1ccc(C[NH+]2CCC2)cc1C 306506812 345379743 /nfs/dbraw/zinc/37/97/43/345379743.db2.gz HDMPPYUNJHHCTL-UHFFFAOYSA-N 0 0 175.275 2.509 10 0 AFAERN CC(C)=CCNc1ccc(F)nc1 306507561 345380207 /nfs/dbraw/zinc/38/02/07/345380207.db2.gz YFGWECZZTSHPNV-UHFFFAOYSA-N 0 0 180.226 2.599 10 0 AFAERN CC(C)=CCNc1ccc(C)nc1 306507268 345380216 /nfs/dbraw/zinc/38/02/16/345380216.db2.gz XNFUXBZKFVECFX-UHFFFAOYSA-N 0 0 176.263 2.768 10 0 AFAERN Cc1ccc(F)cc1NC1CSC1 306510799 345382836 /nfs/dbraw/zinc/38/28/36/345382836.db2.gz LOVRTJHNHKERMK-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN O=C(c1csc(Cl)c1)C1CC1 306512050 345383354 /nfs/dbraw/zinc/38/33/54/345383354.db2.gz OQPIGFSXBCIKST-UHFFFAOYSA-N 0 0 186.663 2.994 10 0 AFAERN CNc1cccc(-c2ccsn2)c1 306512490 345383863 /nfs/dbraw/zinc/38/38/63/345383863.db2.gz PYHSICXDUNNYPK-UHFFFAOYSA-N 0 0 190.271 2.852 10 0 AFAERN CNc1cc(Cl)cc(F)c1F 306512557 345383926 /nfs/dbraw/zinc/38/39/26/345383926.db2.gz QBYGZWMEYUBIBY-UHFFFAOYSA-N 0 0 177.581 2.660 10 0 AFAERN CCc1cc(=O)c2scc(C)c2[nH]1 306513274 345384230 /nfs/dbraw/zinc/38/42/30/345384230.db2.gz ABFMPTQPHSBWOD-UHFFFAOYSA-N 0 0 193.271 2.873 10 0 AFAERN O=C1[C@H]2CC[C@@]13CCCC[C@H]3C2 306513893 345385042 /nfs/dbraw/zinc/38/50/42/345385042.db2.gz SZMMZAOZDVNUAN-ATZCPNFKSA-N 0 0 164.248 2.546 10 0 AFAERN Cc1cnc(NCc2cccs2)o1 306513818 345385046 /nfs/dbraw/zinc/38/50/46/345385046.db2.gz SSFWCUJBTXTKOS-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN O=Cc1cc(F)c(C(F)F)c(F)c1 306514729 345385594 /nfs/dbraw/zinc/38/55/94/345385594.db2.gz BDBLBVZBNBFSTQ-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN CC[C@H](O)c1cc(C)c(F)cc1C 306515620 345386417 /nfs/dbraw/zinc/38/64/17/345386417.db2.gz DUMAEOYYIADGTN-NSHDSACASA-N 0 0 182.238 2.886 10 0 AFAERN CC(=O)CCc1csc(Cl)c1 306515520 345386490 /nfs/dbraw/zinc/38/64/90/345386490.db2.gz DMOIWFZSIYCBNR-UHFFFAOYSA-N 0 0 188.679 2.923 10 0 AFAERN CC[C@@H](O)c1cc(C)c(F)cc1C 306515619 345386590 /nfs/dbraw/zinc/38/65/90/345386590.db2.gz DUMAEOYYIADGTN-LLVKDONJSA-N 0 0 182.238 2.886 10 0 AFAERN CCc1cnc(C(C)(C)N(C)C)s1 306515644 345386610 /nfs/dbraw/zinc/38/66/10/345386610.db2.gz FAGLUVUROLEJJX-UHFFFAOYSA-N 0 0 198.335 2.502 10 0 AFAERN c1coc(CS[C@@H]2CCCO2)c1 306515818 345386929 /nfs/dbraw/zinc/38/69/29/345386929.db2.gz AAWXJJMOTNUCAF-SECBINFHSA-N 0 0 184.260 2.649 10 0 AFAERN c1coc(CS[C@H]2CCCO2)c1 306515819 345387055 /nfs/dbraw/zinc/38/70/55/345387055.db2.gz AAWXJJMOTNUCAF-VIFPVBQESA-N 0 0 184.260 2.649 10 0 AFAERN CC(C)[C@@H](C)C(=O)C(F)(F)Cl 306546322 345421133 /nfs/dbraw/zinc/42/11/33/345421133.db2.gz WOCPUMIPOXBUEQ-RXMQYKEDSA-N 0 0 184.613 2.679 10 0 AFAERN CC(=O)OC1(C)CCC(C)(C)CC1 306516524 345387547 /nfs/dbraw/zinc/38/75/47/345387547.db2.gz YFHVNXOVBOIZGU-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC[C@H](C)c1noc(C2(C)CC2)n1 306517014 345388160 /nfs/dbraw/zinc/38/81/60/345388160.db2.gz ZUNJBTYLIPYRJP-ZETCQYMHSA-N 0 0 180.251 2.635 10 0 AFAERN CSc1nc(C2CC2)nc(C)c1F 306517785 345388759 /nfs/dbraw/zinc/38/87/59/345388759.db2.gz HZECVISHZPCLGU-UHFFFAOYSA-N 0 0 198.266 2.523 10 0 AFAERN Cc1cnc(NC[C@@H]2C[C@@H]2C)s1 306518193 345389112 /nfs/dbraw/zinc/38/91/12/345389112.db2.gz BFYITSFYYDDPQT-XPUUQOCRSA-N 0 0 182.292 2.519 10 0 AFAERN Cc1cnc(NC[C@@H]2C[C@H]2C)s1 306518192 345389163 /nfs/dbraw/zinc/38/91/63/345389163.db2.gz BFYITSFYYDDPQT-SVRRBLITSA-N 0 0 182.292 2.519 10 0 AFAERN Cc1cnc(NC[C@H]2C[C@H]2C)s1 306518190 345389519 /nfs/dbraw/zinc/38/95/19/345389519.db2.gz BFYITSFYYDDPQT-HTRCEHHLSA-N 0 0 182.292 2.519 10 0 AFAERN Cc1cnc(NC[C@H]2C[C@@H]2C)s1 306518191 345389532 /nfs/dbraw/zinc/38/95/32/345389532.db2.gz BFYITSFYYDDPQT-POYBYMJQSA-N 0 0 182.292 2.519 10 0 AFAERN O=Cc1cc(F)c(F)c(C(F)F)c1 306518263 345389979 /nfs/dbraw/zinc/38/99/79/345389979.db2.gz GXPPOTOXMKJJEL-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN Cc1ccsc1[C@]1(O)CC[C@H]1C 306519084 345390523 /nfs/dbraw/zinc/39/05/23/345390523.db2.gz BYZRZDIIWVGDLW-SCZZXKLOSA-N 0 0 182.288 2.674 10 0 AFAERN Cc1ccsc1[C@@]1(O)CC[C@H]1C 306519077 345390569 /nfs/dbraw/zinc/39/05/69/345390569.db2.gz BYZRZDIIWVGDLW-PSASIEDQSA-N 0 0 182.288 2.674 10 0 AFAERN Cc1ccsc1[C@]1(O)CC[C@@H]1C 306519102 345390601 /nfs/dbraw/zinc/39/06/01/345390601.db2.gz BYZRZDIIWVGDLW-WPRPVWTQSA-N 0 0 182.288 2.674 10 0 AFAERN Cc1ccn(Cc2csc(C)c2)n1 306519343 345390889 /nfs/dbraw/zinc/39/08/89/345390889.db2.gz CJLHAJMXDLYERJ-UHFFFAOYSA-N 0 0 192.287 2.610 10 0 AFAERN CC(C)C(=O)[C@@H]1C[C@H](C)[C@@H]1C 306519980 345391292 /nfs/dbraw/zinc/39/12/92/345391292.db2.gz JTHXWIZIIMXBDC-XHNCKOQMSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)C(=O)[C@@H]1C[C@@H](C)[C@H]1C 306519979 345391333 /nfs/dbraw/zinc/39/13/33/345391333.db2.gz JTHXWIZIIMXBDC-IWSPIJDZSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)C(=O)[C@@H]1C[C@@H](C)[C@@H]1C 306519978 345391451 /nfs/dbraw/zinc/39/14/51/345391451.db2.gz JTHXWIZIIMXBDC-HRDYMLBCSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)C(=O)[C@@H]1C[C@H](C)[C@H]1C 306519977 345391498 /nfs/dbraw/zinc/39/14/98/345391498.db2.gz JTHXWIZIIMXBDC-DJLDLDEBSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)(F)[C@H](O)c1ccc(F)cc1 306520535 345391776 /nfs/dbraw/zinc/39/17/76/345391776.db2.gz DWAZGEXKUAPDFO-SECBINFHSA-N 0 0 186.201 2.607 10 0 AFAERN CC(C)(F)[C@@H](O)c1ccc(F)cc1 306520537 345392068 /nfs/dbraw/zinc/39/20/68/345392068.db2.gz DWAZGEXKUAPDFO-VIFPVBQESA-N 0 0 186.201 2.607 10 0 AFAERN Cc1nc(C)c(Cn2cccc2)s1 306520936 345392351 /nfs/dbraw/zinc/39/23/51/345392351.db2.gz LWCMWTXDHGYTJB-UHFFFAOYSA-N 0 0 192.287 2.610 10 0 AFAERN O=Cc1cc(F)c(F)cc1C(F)F 306521102 345392590 /nfs/dbraw/zinc/39/25/90/345392590.db2.gz MGESGMIJHYZYBK-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN Fc1ccc(C(F)(F)F)c(=S)[nH]1 306521299 345392997 /nfs/dbraw/zinc/39/29/97/345392997.db2.gz MXVWWGOUJXBYEC-UHFFFAOYSA-N 0 0 197.156 2.528 10 0 AFAERN CC(C)Cc1ncc(Cl)cc1N 306523179 345395367 /nfs/dbraw/zinc/39/53/67/345395367.db2.gz NAUWBYKTXNACEE-UHFFFAOYSA-N 0 0 184.670 2.516 10 0 AFAERN CN(CC1(C)CCC1)c1nccs1 306523509 345395373 /nfs/dbraw/zinc/39/53/73/345395373.db2.gz SSVIUSXTETVCOB-UHFFFAOYSA-N 0 0 196.319 2.770 10 0 AFAERN O=Cc1ccc(F)c(F)c1C(F)F 306523653 345396127 /nfs/dbraw/zinc/39/61/27/345396127.db2.gz UJJYDCKCBPLGAI-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN Cn1ccnc1SCC=C1CCC1 306524434 345396740 /nfs/dbraw/zinc/39/67/40/345396740.db2.gz YHRIWFHUEFZJTD-UHFFFAOYSA-N 0 0 194.303 2.623 10 0 AFAERN Cc1ncc(NCC(C)(C)C)s1 306524915 345397317 /nfs/dbraw/zinc/39/73/17/345397317.db2.gz OMQGWKXCSZGINT-UHFFFAOYSA-N 0 0 184.308 2.910 10 0 AFAERN Cc1coc(N[C@H]2CC[C@H](C)CC2)n1 306528466 345399930 /nfs/dbraw/zinc/39/99/30/345399930.db2.gz BLZYGMCYGZIFSW-CZMCAQCFSA-N 0 0 194.278 2.974 10 0 AFAERN C[C@@H](Oc1cn[nH]c1)c1ccccc1 306530375 345401395 /nfs/dbraw/zinc/40/13/95/345401395.db2.gz DDHHERLMLIBOCT-SECBINFHSA-N 0 0 188.230 2.550 10 0 AFAERN Nc1cc(Cl)cnc1-c1ccoc1 306529996 345401475 /nfs/dbraw/zinc/40/14/75/345401475.db2.gz JCSCGSRDHDBKRV-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Cc1ccc(C(=O)C(C)(C)F)o1 306529978 345401523 /nfs/dbraw/zinc/40/15/23/345401523.db2.gz JBSXDXPRHMXUIM-UHFFFAOYSA-N 0 0 170.183 2.519 10 0 AFAERN C[C@H](Oc1cn[nH]c1)c1ccccc1 306530376 345402153 /nfs/dbraw/zinc/40/21/53/345402153.db2.gz DDHHERLMLIBOCT-VIFPVBQESA-N 0 0 188.230 2.550 10 0 AFAERN Nc1cc(Cl)cnc1C1=CCCC1 306531005 345402583 /nfs/dbraw/zinc/40/25/83/345402583.db2.gz KLXNXIQOMXQSFX-UHFFFAOYSA-N 0 0 194.665 2.885 10 0 AFAERN CC(C)[C@@H](C)Oc1cccnc1 306530876 345402590 /nfs/dbraw/zinc/40/25/90/345402590.db2.gz FCFWQXISKKYKEQ-SECBINFHSA-N 0 0 165.236 2.505 10 0 AFAERN CC(C)[C@H](C)Oc1cccnc1 306530877 345402646 /nfs/dbraw/zinc/40/26/46/345402646.db2.gz FCFWQXISKKYKEQ-VIFPVBQESA-N 0 0 165.236 2.505 10 0 AFAERN Cc1coc(NC[C@H](C)C(C)C)n1 306531542 345403227 /nfs/dbraw/zinc/40/32/27/345403227.db2.gz FQBVYDQOICCOEN-QMMMGPOBSA-N 0 0 182.267 2.687 10 0 AFAERN Cc1coc(NC[C@@H](C)C(C)C)n1 306531540 345403276 /nfs/dbraw/zinc/40/32/76/345403276.db2.gz FQBVYDQOICCOEN-MRVPVSSYSA-N 0 0 182.267 2.687 10 0 AFAERN Cc1cc2c(NCCF)nccc2o1 306532569 345404412 /nfs/dbraw/zinc/40/44/12/345404412.db2.gz GTEWVBLLCAANPR-UHFFFAOYSA-N 0 0 194.209 2.518 10 0 AFAERN CC(C)Cc1cccc(F)c1C=O 306533333 345405825 /nfs/dbraw/zinc/40/58/25/345405825.db2.gz CUCIPBMKSSULBT-UHFFFAOYSA-N 0 0 180.222 2.837 10 0 AFAERN Cc1cn(C(C)C)nc1NC(C)C 306533775 345406452 /nfs/dbraw/zinc/40/64/52/345406452.db2.gz HWQPDWFSLUWGTF-UHFFFAOYSA-N 0 0 181.283 2.593 10 0 AFAERN Cc1cc(N)c(C(F)(F)F)c(F)c1 306534249 345406466 /nfs/dbraw/zinc/40/64/66/345406466.db2.gz DNLRCZLBVNVAMU-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN Nc1csc(C2CCCC2)c1 306534141 345406474 /nfs/dbraw/zinc/40/64/74/345406474.db2.gz DHYIQCDVEMYBIS-UHFFFAOYSA-N 0 0 167.277 2.988 10 0 AFAERN C[C@@H](CF)Nc1ncc(Cl)s1 306533799 345406502 /nfs/dbraw/zinc/40/65/02/345406502.db2.gz HZHRJRSGFGOHTM-BYPYZUCNSA-N 0 0 194.662 2.566 10 0 AFAERN Cc1cn(C(C)C)nc1NCC1CC1 306534513 345406765 /nfs/dbraw/zinc/40/67/65/345406765.db2.gz DZSLVLNAJDGAAJ-UHFFFAOYSA-N 0 0 193.294 2.594 10 0 AFAERN Cc1cc(C(=O)C(C)(C)F)cs1 306534720 345407422 /nfs/dbraw/zinc/40/74/22/345407422.db2.gz OSTSKWPYPVQQTB-UHFFFAOYSA-N 0 0 186.251 2.987 10 0 AFAERN Cc1ccccc1NCc1ccno1 306535365 345408025 /nfs/dbraw/zinc/40/80/25/345408025.db2.gz JVUBNEDYGRBCSP-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN CC1(C[C@@H](O)C2CC2)CCCC1 306535582 345408342 /nfs/dbraw/zinc/40/83/42/345408342.db2.gz PTGVIUGJRFRRSU-SNVBAGLBSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc(C)c(SC2COC2)c1 306535710 345408487 /nfs/dbraw/zinc/40/84/87/345408487.db2.gz MBVTWSGGQFAMFT-UHFFFAOYSA-N 0 0 194.299 2.794 10 0 AFAERN C/C=C/CNc1nc(Cl)cs1 306536681 345409558 /nfs/dbraw/zinc/40/95/58/345409558.db2.gz HKMSNEJBBXAMNR-NSCUHMNNSA-N 0 0 188.683 2.785 10 0 AFAERN CC(=O)c1ccc(OC2CC2)c(F)c1 306536841 345409572 /nfs/dbraw/zinc/40/95/72/345409572.db2.gz HTTHHZRCXYUYOV-UHFFFAOYSA-N 0 0 194.205 2.570 10 0 AFAERN COc1cc(C)cc(C(C)=O)c1C 306537590 345410732 /nfs/dbraw/zinc/41/07/32/345410732.db2.gz IVVBVUFDNXJKLA-UHFFFAOYSA-N 0 0 178.231 2.515 10 0 AFAERN Cc1ccnc(N[C@@H]2CC[C@H]3C[C@H]32)c1 306537886 345410831 /nfs/dbraw/zinc/41/08/31/345410831.db2.gz JFFUWLAWRSNPDA-HBNTYKKESA-N 0 0 188.274 2.600 10 0 AFAERN CCC1([C@H](O)c2ccco2)CC1 306537650 345410917 /nfs/dbraw/zinc/41/09/17/345410917.db2.gz RLVQOAHSJQLBFM-SECBINFHSA-N 0 0 166.220 2.503 10 0 AFAERN Cc1ccnc(C)c1NCC1CC1 306537725 345410939 /nfs/dbraw/zinc/41/09/39/345410939.db2.gz RSGHYPIOMHLCMV-UHFFFAOYSA-N 0 0 176.263 2.520 10 0 AFAERN Cc1ccnc(N[C@@H]2CC[C@@H]3C[C@@H]32)c1 306537887 345411000 /nfs/dbraw/zinc/41/10/00/345411000.db2.gz JFFUWLAWRSNPDA-OUAUKWLOSA-N 0 0 188.274 2.600 10 0 AFAERN CCC1([C@@H](O)c2ccco2)CC1 306537652 345411122 /nfs/dbraw/zinc/41/11/22/345411122.db2.gz RLVQOAHSJQLBFM-VIFPVBQESA-N 0 0 166.220 2.503 10 0 AFAERN O=C(c1cncc(Cl)c1)C1CCC1 306538578 345411929 /nfs/dbraw/zinc/41/19/29/345411929.db2.gz TUBXSESWRUWTJF-UHFFFAOYSA-N 0 0 195.649 2.718 10 0 AFAERN Cc1c[nH]c(=S)n1[C@H]1CCC1(C)C 306539528 345413220 /nfs/dbraw/zinc/41/32/20/345413220.db2.gz UZQYNRSNPWZCGJ-QMMMGPOBSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1c[nH]c(=S)n1[C@@H]1CCC1(C)C 306539527 345413224 /nfs/dbraw/zinc/41/32/24/345413224.db2.gz UZQYNRSNPWZCGJ-MRVPVSSYSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1cc(C2=CCCC2)c[nH]c1=O 306539360 345413415 /nfs/dbraw/zinc/41/34/15/345413415.db2.gz UWMBUAFRSUVERC-UHFFFAOYSA-N 0 0 175.231 2.663 10 0 AFAERN COc1cccc(NC2CCC2)c1F 306540272 345414238 /nfs/dbraw/zinc/41/42/38/345414238.db2.gz OQNQRXQIZPJQPS-UHFFFAOYSA-N 0 0 195.237 2.799 10 0 AFAERN CC1(Nc2ncc(Cl)s2)CC1 306540451 345414807 /nfs/dbraw/zinc/41/48/07/345414807.db2.gz RNJBAEQVFLENBJ-UHFFFAOYSA-N 0 0 188.683 2.761 10 0 AFAERN CC(C)[C@H](C)C(=O)c1ccncc1 306541521 345415466 /nfs/dbraw/zinc/41/54/66/345415466.db2.gz PTVKKLWXDMUZRC-VIFPVBQESA-N 0 0 177.247 2.556 10 0 AFAERN CCN(C)c1ccc(C)c(F)c1 306541335 345415472 /nfs/dbraw/zinc/41/54/72/345415472.db2.gz XKSNOKQHDIAYDJ-UHFFFAOYSA-N 0 0 167.227 2.590 10 0 AFAERN CC(C)[C@@H](C)C(=O)c1ccncc1 306541506 345415659 /nfs/dbraw/zinc/41/56/59/345415659.db2.gz PTVKKLWXDMUZRC-SECBINFHSA-N 0 0 177.247 2.556 10 0 AFAERN CC(C)[C@@H](C)C(=O)c1ccc(F)cn1 306542373 345416834 /nfs/dbraw/zinc/41/68/34/345416834.db2.gz QSYJWKXEOBXLRY-MRVPVSSYSA-N 0 0 195.237 2.696 10 0 AFAERN CC(C)[C@H](C)C(=O)c1ccc(F)cn1 306542374 345416879 /nfs/dbraw/zinc/41/68/79/345416879.db2.gz QSYJWKXEOBXLRY-QMMMGPOBSA-N 0 0 195.237 2.696 10 0 AFAERN Cc1ncccc1C(=O)[C@@H](C)C(C)C 306543198 345417091 /nfs/dbraw/zinc/41/70/91/345417091.db2.gz RVGXTVUVYTXPOA-VIFPVBQESA-N 0 0 191.274 2.865 10 0 AFAERN CC(C)[C@H](C)[C@H]1CCC(=O)C1 306543207 345417113 /nfs/dbraw/zinc/41/71/13/345417113.db2.gz RWDMSOMZDKDBKY-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@H](C)[C@@H]1CCC(=O)C1 306543206 345417127 /nfs/dbraw/zinc/41/71/27/345417127.db2.gz RWDMSOMZDKDBKY-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CC1(C)CC[C@@]1(O)CCC1CC1 306542908 345417185 /nfs/dbraw/zinc/41/71/85/345417185.db2.gz ZHJZZNKZERXAJT-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)[C@@H](C)[C@H]1CCC(=O)C1 306543205 345417212 /nfs/dbraw/zinc/41/72/12/345417212.db2.gz RWDMSOMZDKDBKY-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CC1(C)CC[C@]1(O)CCC1CC1 306542903 345417301 /nfs/dbraw/zinc/41/73/01/345417301.db2.gz ZHJZZNKZERXAJT-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)[C@@H](C)[C@@H]1CCC(=O)C1 306543208 345417319 /nfs/dbraw/zinc/41/73/19/345417319.db2.gz RWDMSOMZDKDBKY-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ncccc1C(=O)[C@H](C)C(C)C 306543197 345417320 /nfs/dbraw/zinc/41/73/20/345417320.db2.gz RVGXTVUVYTXPOA-SECBINFHSA-N 0 0 191.274 2.865 10 0 AFAERN CC(=O)[C@@H](C)CC1(C)CCC1 306544027 345418025 /nfs/dbraw/zinc/41/80/25/345418025.db2.gz XKOSMBRJCFLWCJ-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)[C@H](C)CC1(C)CCC1 306544026 345418233 /nfs/dbraw/zinc/41/82/33/345418233.db2.gz XKOSMBRJCFLWCJ-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H]1CCN1c1cccc(N)c1Cl 306545535 345419793 /nfs/dbraw/zinc/41/97/93/345419793.db2.gz CLGNHWIVAOEXRA-ZETCQYMHSA-N 0 0 196.681 2.521 10 0 AFAERN C[C@@H]1CCN1c1cccc(N)c1Cl 306545534 345419952 /nfs/dbraw/zinc/41/99/52/345419952.db2.gz CLGNHWIVAOEXRA-SSDOTTSWSA-N 0 0 196.681 2.521 10 0 AFAERN CC(=O)O[C@H](C)c1sccc1C 306546188 345420512 /nfs/dbraw/zinc/42/05/12/345420512.db2.gz HOPMVGMFWTWDBR-SSDOTTSWSA-N 0 0 184.260 2.681 10 0 AFAERN CC(=O)O[C@@H](C)c1sccc1C 306546190 345420704 /nfs/dbraw/zinc/42/07/04/345420704.db2.gz HOPMVGMFWTWDBR-ZETCQYMHSA-N 0 0 184.260 2.681 10 0 AFAERN CC(C)[C@H](C)C(=O)C(F)(F)Cl 306546324 345420942 /nfs/dbraw/zinc/42/09/42/345420942.db2.gz WOCPUMIPOXBUEQ-YFKPBYRVSA-N 0 0 184.613 2.679 10 0 AFAERN Nc1cc(F)ccc1-c1ccsn1 306547104 345421583 /nfs/dbraw/zinc/42/15/83/345421583.db2.gz FOOVFBROUXNTHW-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CC(C)(F)c1nc(C2CCC2)no1 306547316 345422202 /nfs/dbraw/zinc/42/22/02/345422202.db2.gz XFDXPLMWLCLGCQ-UHFFFAOYSA-N 0 0 184.214 2.542 10 0 AFAERN C[C@H]1OCC[C@H]1C(=O)CC1(C)CCC1 306548260 345422858 /nfs/dbraw/zinc/42/28/58/345422858.db2.gz CRLUWUVEOFNWKE-NXEZZACHSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1OCC[C@@H]1C(=O)CC1(C)CCC1 306548262 345422866 /nfs/dbraw/zinc/42/28/66/345422866.db2.gz CRLUWUVEOFNWKE-UWVGGRQHSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@](O)(c1ccsc1)C(F)F 306548143 345422970 /nfs/dbraw/zinc/42/29/70/345422970.db2.gz CMBVKEBIIVXJAA-QMMMGPOBSA-N 0 0 192.230 2.611 10 0 AFAERN CC[C@@](O)(c1ccsc1)C(F)F 306548140 345423049 /nfs/dbraw/zinc/42/30/49/345423049.db2.gz CMBVKEBIIVXJAA-MRVPVSSYSA-N 0 0 192.230 2.611 10 0 AFAERN Cc1cc(O)ccc1-c1ccns1 306548406 345423087 /nfs/dbraw/zinc/42/30/87/345423087.db2.gz BOALCIAZIJQFBI-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc(OC(F)F)c(F)cc1F 306548426 345423098 /nfs/dbraw/zinc/42/30/98/345423098.db2.gz BOTYHGPDNAXJHK-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN C[C@@H]1OCC[C@H]1C(=O)CC1(C)CCC1 306548263 345423204 /nfs/dbraw/zinc/42/32/04/345423204.db2.gz CRLUWUVEOFNWKE-VHSXEESVSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1OCC[C@@H]1C(=O)CC1(C)CCC1 306548264 345423254 /nfs/dbraw/zinc/42/32/54/345423254.db2.gz CRLUWUVEOFNWKE-ZJUUUORDSA-N 0 0 196.290 2.561 10 0 AFAERN CC1(CC(=O)C2CCOCC2)CCC1 306549277 345424081 /nfs/dbraw/zinc/42/40/81/345424081.db2.gz DHDWEGAYGXCDJL-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN CCCn1cc(C)c(C)c1 306548979 345424156 /nfs/dbraw/zinc/42/41/56/345424156.db2.gz GCVHKSXYRMKIDV-UHFFFAOYSA-N 0 0 137.226 2.515 10 0 AFAERN CC[C@H]1CC[C@@H]1Nc1ccc(O)cc1 306549965 345425325 /nfs/dbraw/zinc/42/53/25/345425325.db2.gz YYLDJQOXUNNWHJ-CABZTGNLSA-N 0 0 191.274 2.993 10 0 AFAERN CC[C@@H]1CC[C@H]1Nc1ccc(O)cc1 306549964 345425448 /nfs/dbraw/zinc/42/54/48/345425448.db2.gz YYLDJQOXUNNWHJ-BXKDBHETSA-N 0 0 191.274 2.993 10 0 AFAERN CC[C@H]1CC[C@H]1Nc1ccc(O)cc1 306549966 345425510 /nfs/dbraw/zinc/42/55/10/345425510.db2.gz YYLDJQOXUNNWHJ-JOYOIKCWSA-N 0 0 191.274 2.993 10 0 AFAERN CC(C)CC(=O)c1cc(F)ncc1F 306551264 345426708 /nfs/dbraw/zinc/42/67/08/345426708.db2.gz ABYKDHHEYAAGFX-UHFFFAOYSA-N 0 0 199.200 2.589 10 0 AFAERN COc1ccc(F)cc1NCC1CC1 306551655 345426918 /nfs/dbraw/zinc/42/69/18/345426918.db2.gz JWGIPHIEEGMCDZ-UHFFFAOYSA-N 0 0 195.237 2.656 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)c1ccns1 306552738 345428100 /nfs/dbraw/zinc/42/81/00/345428100.db2.gz DGOCSTIRZHBENX-HTQZYQBOSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)c1ccns1 306552741 345428150 /nfs/dbraw/zinc/42/81/50/345428150.db2.gz DGOCSTIRZHBENX-SFYZADRCSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)c1ccns1 306552742 345428255 /nfs/dbraw/zinc/42/82/55/345428255.db2.gz DGOCSTIRZHBENX-YUMQZZPRSA-N 0 0 195.287 2.762 10 0 AFAERN CC(C)(F)c1nc2c(F)cccc2[nH]1 306552454 345428261 /nfs/dbraw/zinc/42/82/61/345428261.db2.gz GJZFYGSXGLJWGH-UHFFFAOYSA-N 0 0 196.200 2.907 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)c1ccns1 306552740 345428361 /nfs/dbraw/zinc/42/83/61/345428361.db2.gz DGOCSTIRZHBENX-JGVFFNPUSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H](N1CCCCCC1)C(F)(F)F 306553379 345429133 /nfs/dbraw/zinc/42/91/33/345429133.db2.gz BGIFYFLFPCXLBL-QMMMGPOBSA-N 0 0 195.228 2.813 10 0 AFAERN Oc1ccc(F)c(F)c1C(F)F 306553888 345429412 /nfs/dbraw/zinc/42/94/12/345429412.db2.gz BSJXZZMCGSNLSK-UHFFFAOYSA-N 0 0 180.100 2.608 10 0 AFAERN CC(C)Nc1nccc(C(C)(C)C)n1 306553932 345429639 /nfs/dbraw/zinc/42/96/39/345429639.db2.gz LAFTUDXUFMHACX-UHFFFAOYSA-N 0 0 193.294 2.594 10 0 AFAERN CCC[C@H](O)c1cnc(C)cc1C 306554520 345430223 /nfs/dbraw/zinc/43/02/23/345430223.db2.gz FBVXYXHSWYSQCP-NSHDSACASA-N 0 0 179.263 2.532 10 0 AFAERN CC(=O)c1cc(F)cc(C)c1Cl 306555738 345431243 /nfs/dbraw/zinc/43/12/43/345431243.db2.gz CTNLYHJRARGXPF-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN CNc1ccc(C(C)C)c(F)c1 306556010 345431678 /nfs/dbraw/zinc/43/16/78/345431678.db2.gz GBPZLDMQQUMGAN-UHFFFAOYSA-N 0 0 167.227 2.991 10 0 AFAERN Cc1ccc(NCC2(F)CC2)cc1 306557346 345432730 /nfs/dbraw/zinc/43/27/30/345432730.db2.gz HDISKBDAIKLXSU-UHFFFAOYSA-N 0 0 179.238 2.909 10 0 AFAERN Cc1cnc(N[C@@H](C)C(C)C)s1 306557521 345432753 /nfs/dbraw/zinc/43/27/53/345432753.db2.gz HOKMBDBHIKBEOH-QMMMGPOBSA-N 0 0 184.308 2.908 10 0 AFAERN Cc1cnc(N[C@H](C)C(C)C)s1 306557520 345432981 /nfs/dbraw/zinc/43/29/81/345432981.db2.gz HOKMBDBHIKBEOH-MRVPVSSYSA-N 0 0 184.308 2.908 10 0 AFAERN CC[C@@H](NO)c1cc(F)ccc1C 306557767 345433515 /nfs/dbraw/zinc/43/35/15/345433515.db2.gz NRYQBCVETFSVAB-SNVBAGLBSA-N 0 0 183.226 2.564 10 0 AFAERN Cc1cc(C(=O)[C@@H]2CC2(C)C)sn1 306558328 345434060 /nfs/dbraw/zinc/43/40/60/345434060.db2.gz OOEGWTCMBCZHON-ZETCQYMHSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1cc(C(=O)[C@H]2CC2(C)C)sn1 306558327 345434226 /nfs/dbraw/zinc/43/42/26/345434226.db2.gz OOEGWTCMBCZHON-SSDOTTSWSA-N 0 0 195.287 2.680 10 0 AFAERN CCc1cc(OC)c(F)c(F)c1F 306559888 345435848 /nfs/dbraw/zinc/43/58/48/345435848.db2.gz LXXFWWCDSDIHEN-UHFFFAOYSA-N 0 0 190.164 2.675 10 0 AFAERN Cc1cocc1[C@](C)(O)CC(C)C 306560077 345436235 /nfs/dbraw/zinc/43/62/35/345436235.db2.gz AYIUSVMFMGXSQQ-LLVKDONJSA-N 0 0 182.263 2.842 10 0 AFAERN Cc1cocc1[C@@](C)(O)CC(C)C 306560078 345436158 /nfs/dbraw/zinc/43/61/58/345436158.db2.gz AYIUSVMFMGXSQQ-NSHDSACASA-N 0 0 182.263 2.842 10 0 AFAERN C/C=C/CNc1ccc(N)c(C)c1 306562096 345437672 /nfs/dbraw/zinc/43/76/72/345437672.db2.gz UFDKXJXSVBYVMB-ONEGZZNKSA-N 0 0 176.263 2.565 10 0 AFAERN OCc1cc(F)c(Cl)c(Cl)c1 306562361 345438098 /nfs/dbraw/zinc/43/80/98/345438098.db2.gz UKPOSUSRSNRKLG-UHFFFAOYSA-N 0 0 195.020 2.625 10 0 AFAERN Cc1cc([C@](C)(O)C(C)C)cnc1C 306562915 345438566 /nfs/dbraw/zinc/43/85/66/345438566.db2.gz VCQAUTBCUNGKDH-GFCCVEGCSA-N 0 0 193.290 2.562 10 0 AFAERN CC(C)C1(Nc2ncccc2F)CC1 306562975 345438608 /nfs/dbraw/zinc/43/86/08/345438608.db2.gz OWTTVQFWHWSRPV-UHFFFAOYSA-N 0 0 194.253 2.821 10 0 AFAERN Cc1cc([C@@](C)(O)C(C)C)cnc1C 306562916 345438616 /nfs/dbraw/zinc/43/86/16/345438616.db2.gz VCQAUTBCUNGKDH-LBPRGKRZSA-N 0 0 193.290 2.562 10 0 AFAERN CCc1c(NC)n[nH]c1[C@@H]1CC1(C)C 306563176 345439076 /nfs/dbraw/zinc/43/90/76/345439076.db2.gz CZTCSTRILWETMF-QMMMGPOBSA-N 0 0 193.294 2.527 10 0 AFAERN CCc1c(NC)n[nH]c1[C@H]1CC1(C)C 306563174 345439128 /nfs/dbraw/zinc/43/91/28/345439128.db2.gz CZTCSTRILWETMF-MRVPVSSYSA-N 0 0 193.294 2.527 10 0 AFAERN Cc1cn(C2CC(C)(C)C2)c(=S)[nH]1 306563106 345439162 /nfs/dbraw/zinc/43/91/62/345439162.db2.gz CVFQGCSDVWNNOG-UHFFFAOYSA-N 0 0 196.319 2.841 10 0 AFAERN CCCC1(Nc2nnc(C)s2)CC1 306563569 345439484 /nfs/dbraw/zinc/43/94/84/345439484.db2.gz PPNPGIWHJDBYGM-UHFFFAOYSA-N 0 0 197.307 2.591 10 0 AFAERN CC1(C)CCC[C@](O)(C2=COCC2)C1 306564280 345440415 /nfs/dbraw/zinc/44/04/15/345440415.db2.gz QAFIKVRIQLJENB-GFCCVEGCSA-N 0 0 196.290 2.622 10 0 AFAERN CC1(C)CCC[C@@](O)(C2=COCC2)C1 306564281 345440840 /nfs/dbraw/zinc/44/08/40/345440840.db2.gz QAFIKVRIQLJENB-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)C(=O)CC1=CCCC1 306565490 345441849 /nfs/dbraw/zinc/44/18/49/345441849.db2.gz FMKHIAYNBJXVFA-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN O=Cc1c(F)cccc1-c1ccc[nH]1 306565542 345441892 /nfs/dbraw/zinc/44/18/92/345441892.db2.gz XTSHLIKFENBEKM-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN O[C@@H]1[C@H]2CC[C@@]13CCCCC[C@@H]3C2 306565908 345442257 /nfs/dbraw/zinc/44/22/57/345442257.db2.gz YVAREIDGQUKBMS-IRCOFANPSA-N 0 0 180.291 2.728 10 0 AFAERN O[C@H]1[C@H]2CC[C@@]13CCCCC[C@@H]3C2 306565913 345442307 /nfs/dbraw/zinc/44/23/07/345442307.db2.gz YVAREIDGQUKBMS-WHOHXGKFSA-N 0 0 180.291 2.728 10 0 AFAERN CCc1cc(NCC2(C)CCC2)no1 306565784 345442342 /nfs/dbraw/zinc/44/23/42/345442342.db2.gz RQRZOQFWOLKPKF-UHFFFAOYSA-N 0 0 194.278 2.839 10 0 AFAERN O[C@H]1[C@H]2CC[C@@]13CCCCC[C@H]3C2 306565906 345442387 /nfs/dbraw/zinc/44/23/87/345442387.db2.gz YVAREIDGQUKBMS-FIQHERPVSA-N 0 0 180.291 2.728 10 0 AFAERN O[C@@H]1[C@H]2CC[C@@]13CCCCC[C@H]3C2 306565911 345442513 /nfs/dbraw/zinc/44/25/13/345442513.db2.gz YVAREIDGQUKBMS-NNYUYHANSA-N 0 0 180.291 2.728 10 0 AFAERN CSc1cc(F)cc(C)c1F 306566850 345443608 /nfs/dbraw/zinc/44/36/08/345443608.db2.gz ZECIEHVQGLMQCP-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN CCC1(Nc2ncccc2C)CC1 306567862 345444751 /nfs/dbraw/zinc/44/47/51/345444751.db2.gz TUIIRIGMHMLBLZ-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN Cc1cc(C)nc(C(=O)C(C)(C)C)c1 306569265 345446083 /nfs/dbraw/zinc/44/60/83/345446083.db2.gz WFDIDEAMRNWDAL-UHFFFAOYSA-N 0 0 191.274 2.927 10 0 AFAERN CC1(C)CC[C@@H]1n1cccc1 306570585 345447766 /nfs/dbraw/zinc/44/77/66/345447766.db2.gz ZCRYHJLAYQUKDA-VIFPVBQESA-N 0 0 149.237 2.849 10 0 AFAERN CC1(C)CC[C@H]1n1cccc1 306570584 345448143 /nfs/dbraw/zinc/44/81/43/345448143.db2.gz ZCRYHJLAYQUKDA-SECBINFHSA-N 0 0 149.237 2.849 10 0 AFAERN CC1(C)C[C@H]1[C@](C)(O)c1ccco1 306571270 345448586 /nfs/dbraw/zinc/44/85/86/345448586.db2.gz FWMDEPSQTCWIHU-KCJUWKMLSA-N 0 0 180.247 2.533 10 0 AFAERN CC1(C)C[C@@H]1[C@](C)(O)c1ccco1 306571276 345448699 /nfs/dbraw/zinc/44/86/99/345448699.db2.gz FWMDEPSQTCWIHU-KWQFWETISA-N 0 0 180.247 2.533 10 0 AFAERN CCOc1cc(C)cc(C)c1OC 306571195 345448764 /nfs/dbraw/zinc/44/87/64/345448764.db2.gz FTHXSJWRXPHNTJ-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN CC[C@]1(C)C[C@@H]1Nc1ccc(C)cn1 306572575 345449681 /nfs/dbraw/zinc/44/96/81/345449681.db2.gz GYOHUZBAKBFKOT-CMPLNLGQSA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@@]1(C)C[C@H]1Nc1ccc(C)cn1 306572577 345449689 /nfs/dbraw/zinc/44/96/89/345449689.db2.gz GYOHUZBAKBFKOT-PWSUYJOCSA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@@]1(C)C[C@@H]1Nc1ccc(C)cn1 306572576 345449723 /nfs/dbraw/zinc/44/97/23/345449723.db2.gz GYOHUZBAKBFKOT-JQWIXIFHSA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@]1(C)C[C@H]1Nc1ccc(C)cn1 306572578 345449810 /nfs/dbraw/zinc/44/98/10/345449810.db2.gz GYOHUZBAKBFKOT-ZYHUDNBSSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1nc([C@@H](C)C(C)(C)C)oc1CO 306573460 345450579 /nfs/dbraw/zinc/45/05/79/345450579.db2.gz IFFJNXQVIAXQDK-SSDOTTSWSA-N 0 0 197.278 2.625 10 0 AFAERN CC[C@H](NO)c1cc(C)ccc1C 306573642 345450619 /nfs/dbraw/zinc/45/06/19/345450619.db2.gz QPJKUOGCPJFOPS-NSHDSACASA-N 0 0 179.263 2.733 10 0 AFAERN Cc1nc([C@H](C)C(C)(C)C)oc1CO 306573461 345450636 /nfs/dbraw/zinc/45/06/36/345450636.db2.gz IFFJNXQVIAXQDK-ZETCQYMHSA-N 0 0 197.278 2.625 10 0 AFAERN CCOC(=O)c1ccc(F)c(C)c1C 306573419 345450780 /nfs/dbraw/zinc/45/07/80/345450780.db2.gz ICWMWRKVAKDENZ-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN CC1([C@H](O)CC2=CCCC2)CC1 306574457 345451073 /nfs/dbraw/zinc/45/10/73/345451073.db2.gz IGRDLYMOIIBTKN-SNVBAGLBSA-N 0 0 166.264 2.648 10 0 AFAERN CC1([C@@H](O)CC2=CCCC2)CC1 306574456 345451552 /nfs/dbraw/zinc/45/15/52/345451552.db2.gz IGRDLYMOIIBTKN-JTQLQIEISA-N 0 0 166.264 2.648 10 0 AFAERN Oc1cc(F)cc(-c2ccns2)c1 306574764 345451891 /nfs/dbraw/zinc/45/18/91/345451891.db2.gz IOYQBHRZECEQEQ-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CC1(C)C[C@H]1[C@@](C)(O)Cc1ccoc1 306577699 345455353 /nfs/dbraw/zinc/45/53/53/345455353.db2.gz LKTMVKHSYLDHJT-PWSUYJOCSA-N 0 0 194.274 2.619 10 0 AFAERN Cc1[nH]c(=S)sc1CC(C)C 306578042 345455414 /nfs/dbraw/zinc/45/54/14/345455414.db2.gz VUBFOKQMEMZNHC-UHFFFAOYSA-N 0 0 187.333 2.939 10 0 AFAERN CC1(C)C[C@@H]1[C@](C)(O)Cc1ccoc1 306577697 345455455 /nfs/dbraw/zinc/45/54/55/345455455.db2.gz LKTMVKHSYLDHJT-CMPLNLGQSA-N 0 0 194.274 2.619 10 0 AFAERN CC1(C)C[C@@H]1[C@H](O)CC1=CCCC1 306578609 345455687 /nfs/dbraw/zinc/45/56/87/345455687.db2.gz MLVFPOGOTJSEAN-GHMZBOCLSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@@]1(C)C[C@@H]1Nc1cccc(C)n1 306578601 345455804 /nfs/dbraw/zinc/45/58/04/345455804.db2.gz MLFKPAKXMKHIQN-JQWIXIFHSA-N 0 0 190.290 2.991 10 0 AFAERN CC1(C)C[C@@H]1[C@@H](O)CC1=CCCC1 306578610 345455813 /nfs/dbraw/zinc/45/58/13/345455813.db2.gz MLVFPOGOTJSEAN-MNOVXSKESA-N 0 0 180.291 2.894 10 0 AFAERN CC1(C)C[C@H]1[C@H](O)CC1=CCCC1 306578612 345455909 /nfs/dbraw/zinc/45/59/09/345455909.db2.gz MLVFPOGOTJSEAN-WDEREUQCSA-N 0 0 180.291 2.894 10 0 AFAERN CC1(C)C[C@H]1[C@@H](O)CC1=CCCC1 306578611 345456004 /nfs/dbraw/zinc/45/60/04/345456004.db2.gz MLVFPOGOTJSEAN-QWRGUYRKSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@]1(C)C[C@@H]1Nc1cccc(C)n1 306578600 345455930 /nfs/dbraw/zinc/45/59/30/345455930.db2.gz MLFKPAKXMKHIQN-CMPLNLGQSA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@@]1(C)C[C@H]1Nc1cccc(C)n1 306578602 345455983 /nfs/dbraw/zinc/45/59/83/345455983.db2.gz MLFKPAKXMKHIQN-PWSUYJOCSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1cocc1-c1cnc(Cl)cn1 306578954 345456246 /nfs/dbraw/zinc/45/62/46/345456246.db2.gz MNVXRDNJAWYWLA-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CCOCCC1=CCCC1 306581244 345458195 /nfs/dbraw/zinc/45/81/95/345458195.db2.gz OMLNQQLELHSJGX-UHFFFAOYSA-N 0 0 140.226 2.523 10 0 AFAERN CC1(CNc2cnns2)CCCC1 306581788 345458734 /nfs/dbraw/zinc/45/87/34/345458734.db2.gz PXIMXYIHVIRJDE-UHFFFAOYSA-N 0 0 197.307 2.530 10 0 AFAERN Cc1ccc(F)c(N)c1C(F)(F)F 306583442 345460363 /nfs/dbraw/zinc/46/03/63/345460363.db2.gz QYDVCUOVGFSJCW-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN Cc1cc(C)c([C@@H](O)CC2CC2)cn1 306584345 345461427 /nfs/dbraw/zinc/46/14/27/345461427.db2.gz RQIPBSQVKMCZRF-LBPRGKRZSA-N 0 0 191.274 2.532 10 0 AFAERN Cc1cc(C)c([C@H](O)CC2CC2)cn1 306584344 345461644 /nfs/dbraw/zinc/46/16/44/345461644.db2.gz RQIPBSQVKMCZRF-GFCCVEGCSA-N 0 0 191.274 2.532 10 0 AFAERN O[C@H](CC1=CCCC1)[C@@H]1[C@H]2CCC[C@H]21 306585646 345462464 /nfs/dbraw/zinc/46/24/64/345462464.db2.gz SRRGYVMUWTZBOR-XQHKEYJVSA-N 0 0 192.302 2.894 10 0 AFAERN O[C@@H](CC1=CCCC1)[C@@H]1[C@H]2CCC[C@H]21 306585644 345462585 /nfs/dbraw/zinc/46/25/85/345462585.db2.gz SRRGYVMUWTZBOR-QNWHQSFQSA-N 0 0 192.302 2.894 10 0 AFAERN C[C@H]1CC[C@H](Sc2cccnn2)C1 306586002 345462603 /nfs/dbraw/zinc/46/26/03/345462603.db2.gz KSKHWMKUZANONV-IUCAKERBSA-N 0 0 194.303 2.757 10 0 AFAERN Cc1nc(C2CCCCC2)oc1CO 306586076 345462678 /nfs/dbraw/zinc/46/26/78/345462678.db2.gz RAZFBDPORAOYTL-UHFFFAOYSA-N 0 0 195.262 2.523 10 0 AFAERN Cc1oc(=S)[nH]c1C(C)(C)C 306587027 345463854 /nfs/dbraw/zinc/46/38/54/345463854.db2.gz RWOMMUUAFJZTQQ-UHFFFAOYSA-N 0 0 171.265 2.569 10 0 AFAERN Cc1c(F)cc(F)cc1OC(F)F 306586941 345464023 /nfs/dbraw/zinc/46/40/23/345464023.db2.gz UNFQIBOFMNJHCI-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN O[C@H](CC1=CCCC1)[C@H]1CCCS1 306588954 345465602 /nfs/dbraw/zinc/46/56/02/345465602.db2.gz WHAOXOZYMMQLPJ-GHMZBOCLSA-N 0 0 198.331 2.743 10 0 AFAERN CC[C@]1(C)C[C@H]1Nc1ccccc1N 306588519 345465642 /nfs/dbraw/zinc/46/56/42/345465642.db2.gz VTRJRDRXNLPZPY-VXGBXAGGSA-N 0 0 190.290 2.869 10 0 AFAERN O[C@@H](CC1=CCCC1)[C@H]1CCCS1 306588958 345465645 /nfs/dbraw/zinc/46/56/45/345465645.db2.gz WHAOXOZYMMQLPJ-WDEREUQCSA-N 0 0 198.331 2.743 10 0 AFAERN O[C@@H](CC1=CCCC1)[C@@H]1CCCS1 306588956 345465653 /nfs/dbraw/zinc/46/56/53/345465653.db2.gz WHAOXOZYMMQLPJ-QWRGUYRKSA-N 0 0 198.331 2.743 10 0 AFAERN O[C@H](CC1=CCCC1)[C@@H]1CCCS1 306588955 345465669 /nfs/dbraw/zinc/46/56/69/345465669.db2.gz WHAOXOZYMMQLPJ-MNOVXSKESA-N 0 0 198.331 2.743 10 0 AFAERN CC[C@@]1(C)C[C@@H]1Nc1ccccc1N 306588518 345465799 /nfs/dbraw/zinc/46/57/99/345465799.db2.gz VTRJRDRXNLPZPY-RYUDHWBXSA-N 0 0 190.290 2.869 10 0 AFAERN CC[C@@]1(C)C[C@H]1Nc1ccccc1N 306588516 345465834 /nfs/dbraw/zinc/46/58/34/345465834.db2.gz VTRJRDRXNLPZPY-NEPJUHHUSA-N 0 0 190.290 2.869 10 0 AFAERN CC[C@]1(C)C[C@@H]1Nc1ccccc1N 306588517 345465849 /nfs/dbraw/zinc/46/58/49/345465849.db2.gz VTRJRDRXNLPZPY-NWDGAFQWSA-N 0 0 190.290 2.869 10 0 AFAERN O[C@H]1C=C(CC2=CCCC2)CC1 306588995 345466252 /nfs/dbraw/zinc/46/62/52/345466252.db2.gz WKHQDVOIRQPGEP-LLVKDONJSA-N 0 0 164.248 2.568 10 0 AFAERN O[C@@H]1C=C(CC2=CCCC2)CC1 306588996 345466511 /nfs/dbraw/zinc/46/65/11/345466511.db2.gz WKHQDVOIRQPGEP-NSHDSACASA-N 0 0 164.248 2.568 10 0 AFAERN O=C(c1ccns1)C1CCCCC1 306589528 345466805 /nfs/dbraw/zinc/46/68/05/345466805.db2.gz XECSRYDVZKEATF-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN Cc1ccc(C)n1NCC1=CCCC1 306589910 345467209 /nfs/dbraw/zinc/46/72/09/345467209.db2.gz UTSSZTZATKPFMJ-UHFFFAOYSA-N 0 0 190.290 2.759 10 0 AFAERN O=C1CCCC[C@@H](c2ccns2)C1 306591255 345468739 /nfs/dbraw/zinc/46/87/39/345468739.db2.gz YJGAKHGBMCWHAN-MRVPVSSYSA-N 0 0 195.287 2.760 10 0 AFAERN Cc1csc(N[C@H]2C[C@@H]3C[C@@H]3C2)n1 306591547 345468763 /nfs/dbraw/zinc/46/87/63/345468763.db2.gz VQZFJFJEYKBPHS-AYMMMOKOSA-N 0 0 194.303 2.662 10 0 AFAERN O=C1CCCC[C@H](c2ccns2)C1 306591256 345468816 /nfs/dbraw/zinc/46/88/16/345468816.db2.gz YJGAKHGBMCWHAN-QMMMGPOBSA-N 0 0 195.287 2.760 10 0 AFAERN Cc1c(F)ccc(C(F)(F)F)c1N 306591281 345468846 /nfs/dbraw/zinc/46/88/46/345468846.db2.gz YLDZPHGRCYCEJO-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN Oc1ccc(F)c(C(F)F)c1F 306592973 345470251 /nfs/dbraw/zinc/47/02/51/345470251.db2.gz IOPNVZMLACAAFG-UHFFFAOYSA-N 0 0 180.100 2.608 10 0 AFAERN Cc1cc(N)c(F)cc1C(C)C 306593009 345470429 /nfs/dbraw/zinc/47/04/29/345470429.db2.gz RMONBSUGHIPYRA-UHFFFAOYSA-N 0 0 167.227 2.840 10 0 AFAERN Cc1cc([C@H](F)C(C)(C)[NH3+])ccc1F 306593485 345470922 /nfs/dbraw/zinc/47/09/22/345470922.db2.gz DEKNREGOASYDFK-JTQLQIEISA-N 0 0 199.244 2.882 10 0 AFAERN CC[C@](O)(C(C)C)[C@@H]1CC1(C)C 306593422 345470777 /nfs/dbraw/zinc/47/07/77/345470777.db2.gz XBSVAJCYMKZEGE-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cc([C@@H](F)C(C)(C)[NH3+])ccc1F 306593486 345470806 /nfs/dbraw/zinc/47/08/06/345470806.db2.gz DEKNREGOASYDFK-SNVBAGLBSA-N 0 0 199.244 2.882 10 0 AFAERN CC[C@@](O)(C(C)C)[C@H]1CC1(C)C 306593420 345470948 /nfs/dbraw/zinc/47/09/48/345470948.db2.gz XBSVAJCYMKZEGE-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@](O)(C(C)C)[C@@H]1CC1(C)C 306593424 345470964 /nfs/dbraw/zinc/47/09/64/345470964.db2.gz XBSVAJCYMKZEGE-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@](C)(O)[C@H]1CC1(C)C 306594340 345471126 /nfs/dbraw/zinc/47/11/26/345471126.db2.gz XHYDKLSBHOZCFA-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@](C)(O)[C@@H]1CC1(C)C 306594057 345471259 /nfs/dbraw/zinc/47/12/59/345471259.db2.gz XHYDKLSBHOZCFA-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1csc([C@@H](N)c2ccco2)c1 306594226 345471269 /nfs/dbraw/zinc/47/12/69/345471269.db2.gz FCSNYRSJDZQYAG-JTQLQIEISA-N 0 0 193.271 2.698 10 0 AFAERN Cc1ccc(C=Cc2c[nH]cn2)s1 306594306 345471288 /nfs/dbraw/zinc/47/12/88/345471288.db2.gz FLXIALDGGLWKCC-HWKANZROSA-N 0 0 190.271 2.950 10 0 AFAERN CC[C@](O)(C(C)C)[C@H]1CC1(C)C 306593916 345471437 /nfs/dbraw/zinc/47/14/37/345471437.db2.gz XBSVAJCYMKZEGE-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@@](C)(O)[C@@H]1CC1(C)C 306594056 345471463 /nfs/dbraw/zinc/47/14/63/345471463.db2.gz XHYDKLSBHOZCFA-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@](C)(O)[C@H]1CC1(C)C 306594339 345471474 /nfs/dbraw/zinc/47/14/74/345471474.db2.gz XHYDKLSBHOZCFA-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CCCNc1ncc2sccc2n1 306595285 345471607 /nfs/dbraw/zinc/47/16/07/345471607.db2.gz XVUHWBNUSQVGDE-UHFFFAOYSA-N 0 0 193.275 2.513 10 0 AFAERN CCOc1cc(C)c(F)cc1F 306594669 345471721 /nfs/dbraw/zinc/47/17/21/345471721.db2.gz JVKJVWSTEBNYSO-UHFFFAOYSA-N 0 0 172.174 2.672 10 0 AFAERN CC(C)C1(Nc2cccc(F)n2)CC1 306595719 345472589 /nfs/dbraw/zinc/47/25/89/345472589.db2.gz LMXFICJXAZFICW-UHFFFAOYSA-N 0 0 194.253 2.821 10 0 AFAERN Nc1cccc(OCC2=CCCC2)c1 306597814 345473855 /nfs/dbraw/zinc/47/38/55/345473855.db2.gz ZYNDFDYVRNNDGX-UHFFFAOYSA-N 0 0 189.258 2.758 10 0 AFAERN CNc1cccc(-c2ccns2)c1 306597816 345474046 /nfs/dbraw/zinc/47/40/46/345474046.db2.gz ZYSHHKUXWYPCRD-UHFFFAOYSA-N 0 0 190.271 2.852 10 0 AFAERN FCOc1c(Cl)ccc(F)c1F 306599446 345475828 /nfs/dbraw/zinc/47/58/28/345475828.db2.gz HIYUYAHSYUIKGG-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN CCC1(Nc2cccc(C)c2N)CC1 306599884 345476286 /nfs/dbraw/zinc/47/62/86/345476286.db2.gz SCMFDDWPLTZYNY-UHFFFAOYSA-N 0 0 190.290 2.932 10 0 AFAERN FCOc1c(F)ccc(F)c1Cl 306599793 345476322 /nfs/dbraw/zinc/47/63/22/345476322.db2.gz IEHDHZGCIQYWNR-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN CC(C)Nc1cc(Cl)ccc1CO 306601074 345476728 /nfs/dbraw/zinc/47/67/28/345476728.db2.gz JOORRHFRPWSPKC-UHFFFAOYSA-N 0 0 199.681 2.653 10 0 AFAERN O=C1CCCC[C@@H](c2ccsn2)C1 306600623 345476885 /nfs/dbraw/zinc/47/68/85/345476885.db2.gz ZYSITCQUSOBFMY-MRVPVSSYSA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCC[C@H](c2ccsn2)C1 306600624 345476901 /nfs/dbraw/zinc/47/69/01/345476901.db2.gz ZYSITCQUSOBFMY-QMMMGPOBSA-N 0 0 195.287 2.760 10 0 AFAERN Cc1ccsc1CNc1ncco1 306600609 345476929 /nfs/dbraw/zinc/47/69/29/345476929.db2.gz ZWIZKLVTKZGKBN-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN c1ccc(N[C@H]2CCC23CCC3)nc1 306601270 345477290 /nfs/dbraw/zinc/47/72/90/345477290.db2.gz UJHCIIKGESOPNF-JTQLQIEISA-N 0 0 188.274 2.826 10 0 AFAERN c1ccc(N[C@@H]2CCC23CCC3)nc1 306601271 345477563 /nfs/dbraw/zinc/47/75/63/345477563.db2.gz UJHCIIKGESOPNF-SNVBAGLBSA-N 0 0 188.274 2.826 10 0 AFAERN COc1ccc(C)c(C(C)=O)c1C 306601929 345477999 /nfs/dbraw/zinc/47/79/99/345477999.db2.gz UYQCSZQFYMVPTM-UHFFFAOYSA-N 0 0 178.231 2.515 10 0 AFAERN CCC1(Nc2cccc(F)n2)CC1 306601969 345478164 /nfs/dbraw/zinc/47/81/64/345478164.db2.gz VDABRERXENLZJB-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN CC(C)=CCNc1cnc(Cl)cn1 306603316 345478983 /nfs/dbraw/zinc/47/89/83/345478983.db2.gz DKHJOVLTEOGOFE-UHFFFAOYSA-N 0 0 197.669 2.508 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)c1ccc(C)o1 306603343 345479100 /nfs/dbraw/zinc/47/91/00/345479100.db2.gz MHYDRYPRLHQRMY-RKDXNWHRSA-N 0 0 178.231 2.817 10 0 AFAERN CC[C@@H]1C[C@@H]1C(=O)c1ccc(C)o1 306603339 345479169 /nfs/dbraw/zinc/47/91/69/345479169.db2.gz MHYDRYPRLHQRMY-BDAKNGLRSA-N 0 0 178.231 2.817 10 0 AFAERN CC[C@H]1C[C@H]1C(=O)c1ccc(C)o1 306603340 345479173 /nfs/dbraw/zinc/47/91/73/345479173.db2.gz MHYDRYPRLHQRMY-DTWKUNHWSA-N 0 0 178.231 2.817 10 0 AFAERN CC[C@H]1C[C@@H]1C(=O)c1ccc(C)o1 306603341 345479232 /nfs/dbraw/zinc/47/92/32/345479232.db2.gz MHYDRYPRLHQRMY-IUCAKERBSA-N 0 0 178.231 2.817 10 0 AFAERN Fc1cc(Cl)cnc1C(F)(F)F 306603967 345479688 /nfs/dbraw/zinc/47/96/88/345479688.db2.gz NFRKYJOKGTWGMR-UHFFFAOYSA-N 0 0 199.534 2.893 10 0 AFAERN CC1(C)CNc2cc(F)cnc2S1 306604098 345479768 /nfs/dbraw/zinc/47/97/68/345479768.db2.gz DVHTXTNTFHANSD-UHFFFAOYSA-N 0 0 198.266 2.517 10 0 AFAERN CCC1(Nc2ccnc(F)c2)CC1 306604492 345480141 /nfs/dbraw/zinc/48/01/41/345480141.db2.gz YWBQDJIRWUJJNO-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN CC(C)ON[C@H]1CC[C@@H](C)C[C@H]1C 306608721 345482736 /nfs/dbraw/zinc/48/27/36/345482736.db2.gz WWUHNJTVLJXMMV-MXWKQRLJSA-N 0 0 185.311 2.741 10 0 AFAERN CC(C)ON[C@H]1CC[C@@H](C)C[C@@H]1C 306608723 345482787 /nfs/dbraw/zinc/48/27/87/345482787.db2.gz WWUHNJTVLJXMMV-VWYCJHECSA-N 0 0 185.311 2.741 10 0 AFAERN CC(C)ON[C@@H]1CC[C@@H](C)C[C@H]1C 306608720 345482871 /nfs/dbraw/zinc/48/28/71/345482871.db2.gz WWUHNJTVLJXMMV-GMTAPVOTSA-N 0 0 185.311 2.741 10 0 AFAERN CC(C)ON[C@@H]1CC[C@@H](C)C[C@@H]1C 306608722 345482925 /nfs/dbraw/zinc/48/29/25/345482925.db2.gz WWUHNJTVLJXMMV-OUAUKWLOSA-N 0 0 185.311 2.741 10 0 AFAERN C[C@H]1CC[C@H]1Nc1cnccc1Cl 306609120 345483203 /nfs/dbraw/zinc/48/32/03/345483203.db2.gz XPQIIBKMFOAIQE-IONNQARKSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1cnccc1Cl 306608988 345483245 /nfs/dbraw/zinc/48/32/45/345483245.db2.gz XPQIIBKMFOAIQE-APPZFPTMSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1cnccc1Cl 306609119 345483331 /nfs/dbraw/zinc/48/33/31/345483331.db2.gz XPQIIBKMFOAIQE-CBAPKCEASA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1cnccc1Cl 306609121 345483391 /nfs/dbraw/zinc/48/33/91/345483391.db2.gz XPQIIBKMFOAIQE-VXNVDRBHSA-N 0 0 196.681 2.945 10 0 AFAERN Oc1cc(F)ccc1-c1ccns1 306609083 345483441 /nfs/dbraw/zinc/48/34/41/345483441.db2.gz JWTONAVKRRSWNC-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Cc1csc(-c2onc(N)c2C)c1 306609934 345483819 /nfs/dbraw/zinc/48/38/19/345483819.db2.gz ZKNQJWNPWQBUKF-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN C[C@@H]1CC[C@@]1(O)CCc1cccs1 306609562 345483828 /nfs/dbraw/zinc/48/38/28/345483828.db2.gz YQZCTWRQXDWEEI-MWLCHTKSSA-N 0 0 196.315 2.842 10 0 AFAERN O=Cc1cc(F)c(F)c(F)c1Cl 306609881 345483897 /nfs/dbraw/zinc/48/38/97/345483897.db2.gz ZFMBZGRKAZEVAF-UHFFFAOYSA-N 0 0 194.539 2.570 10 0 AFAERN C[C@@H]1CC[C@]1(O)CCc1cccs1 306609561 345483904 /nfs/dbraw/zinc/48/39/04/345483904.db2.gz YQZCTWRQXDWEEI-KOLCDFICSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@H]1CC[C@@]1(O)CCc1cccs1 306609560 345484032 /nfs/dbraw/zinc/48/40/32/345484032.db2.gz YQZCTWRQXDWEEI-GXSJLCMTSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@H]1CC[C@]1(O)CCc1cccs1 306609563 345484050 /nfs/dbraw/zinc/48/40/50/345484050.db2.gz YQZCTWRQXDWEEI-ONGXEEELSA-N 0 0 196.315 2.842 10 0 AFAERN FCOc1c(F)ccc(Cl)c1F 306609903 345484181 /nfs/dbraw/zinc/48/41/81/345484181.db2.gz ZHYOPVQIVJKMKY-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN CC[C@@H](n1c(C)ccc1C)C(C)(C)O 306613069 345486964 /nfs/dbraw/zinc/48/69/64/345486964.db2.gz KBGZGHICFCPNIL-LLVKDONJSA-N 0 0 195.306 2.827 10 0 AFAERN CC[C@H](n1c(C)ccc1C)C(C)(C)O 306613070 345487113 /nfs/dbraw/zinc/48/71/13/345487113.db2.gz KBGZGHICFCPNIL-NSHDSACASA-N 0 0 195.306 2.827 10 0 AFAERN Cc1coc(N[C@H](C)C2CCC2)n1 306613880 345487470 /nfs/dbraw/zinc/48/74/70/345487470.db2.gz LHMKCMVDQLIRCE-MRVPVSSYSA-N 0 0 180.251 2.584 10 0 AFAERN CC1(C)CC[C@@H](N2CCCCO2)C1 306614688 345488096 /nfs/dbraw/zinc/48/80/96/345488096.db2.gz MBOPFGNHGFATMW-SNVBAGLBSA-N 0 0 183.295 2.593 10 0 AFAERN CC1(Cc2nc(Cl)ns2)CC1 306614511 345488145 /nfs/dbraw/zinc/48/81/45/345488145.db2.gz ORURYEPDODTSIT-UHFFFAOYSA-N 0 0 188.683 2.534 10 0 AFAERN CC1(C)CC[C@H](N2CCCCO2)C1 306614678 345488158 /nfs/dbraw/zinc/48/81/58/345488158.db2.gz MBOPFGNHGFATMW-JTQLQIEISA-N 0 0 183.295 2.593 10 0 AFAERN CCC[C@H](C)c1nc(C)c(C)c(N)n1 306614827 345488162 /nfs/dbraw/zinc/48/81/62/345488162.db2.gz MDTWLWIHONHMQI-ZETCQYMHSA-N 0 0 193.294 2.579 10 0 AFAERN CCC[C@@H](C)c1nc(C)c(C)c(N)n1 306614819 345488221 /nfs/dbraw/zinc/48/82/21/345488221.db2.gz MDTWLWIHONHMQI-SSDOTTSWSA-N 0 0 193.294 2.579 10 0 AFAERN Cc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)cn1 306615543 345488760 /nfs/dbraw/zinc/48/87/60/345488760.db2.gz NRAOMKYSPHCPKX-HLUHBDAQSA-N 0 0 190.290 2.846 10 0 AFAERN C[C@@H]1CCCc2cnc(Cl)nc21 306615246 345488835 /nfs/dbraw/zinc/48/88/35/345488835.db2.gz BFRQKDFISBUYMV-ZCFIWIBFSA-N 0 0 182.654 2.570 10 0 AFAERN C[C@H]1CCCc2cnc(Cl)nc21 306615245 345488841 /nfs/dbraw/zinc/48/88/41/345488841.db2.gz BFRQKDFISBUYMV-LURJTMIESA-N 0 0 182.654 2.570 10 0 AFAERN Cc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)cn1 306615550 345488858 /nfs/dbraw/zinc/48/88/58/345488858.db2.gz NRAOMKYSPHCPKX-UBHAPETDSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)cn1 306615545 345488890 /nfs/dbraw/zinc/48/88/90/345488890.db2.gz NRAOMKYSPHCPKX-MKPLZMMCSA-N 0 0 190.290 2.846 10 0 AFAERN CCOc1c(Cl)cccc1NC 306615681 345489215 /nfs/dbraw/zinc/48/92/15/345489215.db2.gz BPZONZOOFVMDQU-UHFFFAOYSA-N 0 0 185.654 2.780 10 0 AFAERN CC[C@@H]1CC[C@@H](C)N1CC(F)(F)F 306616840 345490552 /nfs/dbraw/zinc/49/05/52/345490552.db2.gz PSGOQSWSJCOZSK-HTQZYQBOSA-N 0 0 195.228 2.812 10 0 AFAERN CCc1ccc([C@@H]2[NH2+]C[C@]2(C)CC)o1 306616989 345490613 /nfs/dbraw/zinc/49/06/13/345490613.db2.gz PVESUHXQJSNZRW-RYUDHWBXSA-N 0 0 193.290 2.903 10 0 AFAERN CCc1ccc([C@H]2[NH2+]C[C@@]2(C)CC)o1 306616990 345490632 /nfs/dbraw/zinc/49/06/32/345490632.db2.gz PVESUHXQJSNZRW-VXGBXAGGSA-N 0 0 193.290 2.903 10 0 AFAERN CCc1ccc([C@@H]2[NH2+]C[C@@]2(C)CC)o1 306616988 345490648 /nfs/dbraw/zinc/49/06/48/345490648.db2.gz PVESUHXQJSNZRW-NWDGAFQWSA-N 0 0 193.290 2.903 10 0 AFAERN CC[C@H]1CC[C@H](C)N1CC(F)(F)F 306616843 345490713 /nfs/dbraw/zinc/49/07/13/345490713.db2.gz PSGOQSWSJCOZSK-YUMQZZPRSA-N 0 0 195.228 2.812 10 0 AFAERN CC[C@@H]1CC[C@H](C)N1CC(F)(F)F 306616841 345490763 /nfs/dbraw/zinc/49/07/63/345490763.db2.gz PSGOQSWSJCOZSK-JGVFFNPUSA-N 0 0 195.228 2.812 10 0 AFAERN CCc1ccc([C@H]2[NH2+]C[C@]2(C)CC)o1 306616987 345490767 /nfs/dbraw/zinc/49/07/67/345490767.db2.gz PVESUHXQJSNZRW-NEPJUHHUSA-N 0 0 193.290 2.903 10 0 AFAERN CC1(CC(=O)C(C)(C)C)CC1 306618120 345490982 /nfs/dbraw/zinc/49/09/82/345490982.db2.gz RTHWDCFMGMSSAA-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1nc([C@@H](C)N2CCC2)c(C)s1 306618680 345491711 /nfs/dbraw/zinc/49/17/11/345491711.db2.gz SZAMCIDXMQXHQR-SSDOTTSWSA-N 0 0 196.319 2.527 10 0 AFAERN Cc1nc([C@H](C)N2CCC2)c(C)s1 306618681 345491857 /nfs/dbraw/zinc/49/18/57/345491857.db2.gz SZAMCIDXMQXHQR-ZETCQYMHSA-N 0 0 196.319 2.527 10 0 AFAERN Cc1cc(C2=CCCC2)ncc1N 306619107 345492457 /nfs/dbraw/zinc/49/24/57/345492457.db2.gz UHTOPDXWXDFXSB-UHFFFAOYSA-N 0 0 174.247 2.540 10 0 AFAERN C[Si](C)(C)[C@H]1CC[C@@H](O)CC1 306620765 345493696 /nfs/dbraw/zinc/49/36/96/345493696.db2.gz XWKIUBABXSPXHC-DTORHVGOSA-N 0 0 172.344 2.630 10 0 AFAERN CC(C)[C@@H](C)[C@]1(O)CCC1(C)C 306622063 345494089 /nfs/dbraw/zinc/49/40/89/345494089.db2.gz CHPIJGOQWHHPOA-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@@H](C)[C@@]1(O)CCC1(C)C 306622061 345494168 /nfs/dbraw/zinc/49/41/68/345494168.db2.gz CHPIJGOQWHHPOA-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](C)[C@@]1(O)CCC1(C)C 306622064 345494356 /nfs/dbraw/zinc/49/43/56/345494356.db2.gz CHPIJGOQWHHPOA-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](C)[C@]1(O)CCC1(C)C 306622059 345494376 /nfs/dbraw/zinc/49/43/76/345494376.db2.gz CHPIJGOQWHHPOA-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN CCCOC(=O)Nc1ccsc1 306621817 345494411 /nfs/dbraw/zinc/49/44/11/345494411.db2.gz ZZQLVWIIXPDJGL-UHFFFAOYSA-N 0 0 185.248 2.707 10 0 AFAERN Cc1ccc(C(F)F)c(C)c1O 306623139 345495194 /nfs/dbraw/zinc/49/51/94/345495194.db2.gz DFSGLXLTCVCBCF-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)c1cccs1 306623889 345495777 /nfs/dbraw/zinc/49/57/77/345495777.db2.gz FBODPHGOKZGCAR-HTQZYQBOSA-N 0 0 180.272 2.977 10 0 AFAERN Cc1ccc(OC(F)F)c(C)c1O 306625267 345497067 /nfs/dbraw/zinc/49/70/67/345497067.db2.gz GOMFXJWHXNLLQP-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN C[C@@H]1CCNc2cc(F)cnc2S1 306625725 345497468 /nfs/dbraw/zinc/49/74/68/345497468.db2.gz YLTOGJJSUYRKOO-ZCFIWIBFSA-N 0 0 198.266 2.517 10 0 AFAERN C[C@H]1CCNc2cc(F)cnc2S1 306625724 345497554 /nfs/dbraw/zinc/49/75/54/345497554.db2.gz YLTOGJJSUYRKOO-LURJTMIESA-N 0 0 198.266 2.517 10 0 AFAERN CCc1sc(=S)[nH]c1C1CC1 306626596 345498185 /nfs/dbraw/zinc/49/81/85/345498185.db2.gz IEJRPRFZJQAEDT-UHFFFAOYSA-N 0 0 185.317 2.872 10 0 AFAERN Cc1nc(SC(C)C)nc(C)c1C 306627699 345499172 /nfs/dbraw/zinc/49/91/72/345499172.db2.gz IXBZNKINSATIEO-UHFFFAOYSA-N 0 0 196.319 2.902 10 0 AFAERN Cc1c([C@H](C)C(C)(C)C)noc1N 306629091 345499738 /nfs/dbraw/zinc/49/97/38/345499738.db2.gz CDUPLVCSSXQCES-ZETCQYMHSA-N 0 0 182.267 2.715 10 0 AFAERN Cc1c([C@@H](C)C(C)(C)C)noc1N 306629089 345499777 /nfs/dbraw/zinc/49/97/77/345499777.db2.gz CDUPLVCSSXQCES-SSDOTTSWSA-N 0 0 182.267 2.715 10 0 AFAERN Cc1coc(NCC2CCCC2)n1 306629915 345500204 /nfs/dbraw/zinc/50/02/04/345500204.db2.gz LZDHZECWFNESMP-UHFFFAOYSA-N 0 0 180.251 2.585 10 0 AFAERN Cc1coc(N[C@H]2CCCC[C@H]2C)n1 306630372 345500853 /nfs/dbraw/zinc/50/08/53/345500853.db2.gz CTQMRBYHHWXDQZ-SCZZXKLOSA-N 0 0 194.278 2.974 10 0 AFAERN Cc1coc(N[C@@H]2CCCC[C@@H]2C)n1 306630639 345500953 /nfs/dbraw/zinc/50/09/53/345500953.db2.gz CTQMRBYHHWXDQZ-WCBMZHEXSA-N 0 0 194.278 2.974 10 0 AFAERN Cc1coc(N[C@@H]2CCCC[C@H]2C)n1 306630370 345501032 /nfs/dbraw/zinc/50/10/32/345501032.db2.gz CTQMRBYHHWXDQZ-PSASIEDQSA-N 0 0 194.278 2.974 10 0 AFAERN Cc1ccc(O)c(C)c1C(F)F 306632942 345502234 /nfs/dbraw/zinc/50/22/34/345502234.db2.gz CXYUAWUQGNRZSP-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN COC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 306634289 345502399 /nfs/dbraw/zinc/50/23/99/345502399.db2.gz VIUZBNKTXIBCRF-DTWKUNHWSA-N 0 0 184.279 2.622 10 0 AFAERN COC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 306634290 345502491 /nfs/dbraw/zinc/50/24/91/345502491.db2.gz VIUZBNKTXIBCRF-IUCAKERBSA-N 0 0 184.279 2.622 10 0 AFAERN COC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 306634288 345502514 /nfs/dbraw/zinc/50/25/14/345502514.db2.gz VIUZBNKTXIBCRF-BDAKNGLRSA-N 0 0 184.279 2.622 10 0 AFAERN COC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 306634291 345502649 /nfs/dbraw/zinc/50/26/49/345502649.db2.gz VIUZBNKTXIBCRF-RKDXNWHRSA-N 0 0 184.279 2.622 10 0 AFAERN CCc1c[nH]c(=S)n1[C@@H]1CC[C@@H]1C 306634811 345503229 /nfs/dbraw/zinc/50/32/29/345503229.db2.gz XAWVUKXLATYOCD-IONNQARKSA-N 0 0 196.319 2.705 10 0 AFAERN CCc1c[nH]c(=S)n1[C@@H]1CC[C@H]1C 306634812 345503236 /nfs/dbraw/zinc/50/32/36/345503236.db2.gz XAWVUKXLATYOCD-VXNVDRBHSA-N 0 0 196.319 2.705 10 0 AFAERN CCc1c[nH]c(=S)n1[C@H]1CC[C@@H]1C 306634810 345503268 /nfs/dbraw/zinc/50/32/68/345503268.db2.gz XAWVUKXLATYOCD-CBAPKCEASA-N 0 0 196.319 2.705 10 0 AFAERN FCCNc1nccc2sccc12 306635596 345503636 /nfs/dbraw/zinc/50/36/36/345503636.db2.gz ADOLPEWEMRBHBA-UHFFFAOYSA-N 0 0 196.250 2.678 10 0 AFAERN CCc1cccc(NC2CSC2)c1 306635850 345503789 /nfs/dbraw/zinc/50/37/89/345503789.db2.gz AKNAPCBWZJFWNA-UHFFFAOYSA-N 0 0 193.315 2.776 10 0 AFAERN Cc1ccc(SC2COC2)c(C)c1 306635863 345503814 /nfs/dbraw/zinc/50/38/14/345503814.db2.gz LNLZXCXGGOEPPL-UHFFFAOYSA-N 0 0 194.299 2.794 10 0 AFAERN Cc1cc(Cl)nc(CCC2CC2)n1 306636447 345504174 /nfs/dbraw/zinc/50/41/74/345504174.db2.gz LVRJOMYYMXHAMO-UHFFFAOYSA-N 0 0 196.681 2.781 10 0 AFAERN Cc1cnc(Cl)nc1C(C)(C)C 306636721 345505085 /nfs/dbraw/zinc/50/50/85/345505085.db2.gz LYJSGTHEDWKNRX-UHFFFAOYSA-N 0 0 184.670 2.736 10 0 AFAERN CN(c1csc(C=O)c1)C(C)(C)C 306637019 345505142 /nfs/dbraw/zinc/50/51/42/345505142.db2.gz BLADFKCNXKEDRV-UHFFFAOYSA-N 0 0 197.303 2.795 10 0 AFAERN CC(F)(F)C(=O)c1ccsc1 306637043 345505678 /nfs/dbraw/zinc/50/56/78/345505678.db2.gz BLQBWHAIHZOAHX-UHFFFAOYSA-N 0 0 176.187 2.586 10 0 AFAERN Cc1cc(C)c(C(F)F)c(O)c1 306638291 345506016 /nfs/dbraw/zinc/50/60/16/345506016.db2.gz MZFNKLQVAGYJTB-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN Nc1ccc(F)c(-c2cscn2)c1 306638323 345506353 /nfs/dbraw/zinc/50/63/53/345506353.db2.gz BYLKBCKZTINOAT-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1nc(-c2cncc(F)c2)cs1 306638356 345506371 /nfs/dbraw/zinc/50/63/71/345506371.db2.gz BUWAQVMMYIFOBN-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN S=c1[nH]c2c(o1)C1CCC2CC1 306638453 345506373 /nfs/dbraw/zinc/50/63/73/345506373.db2.gz CBKOZWCGXQSLMQ-UHFFFAOYSA-N 0 0 181.260 2.718 10 0 AFAERN Cc1nc([C@H](O)CC2(C)CCC2)co1 306638352 345506376 /nfs/dbraw/zinc/50/63/76/345506376.db2.gz BUTUAJNZTGKHEP-SNVBAGLBSA-N 0 0 195.262 2.597 10 0 AFAERN Cc1ccc(NCC[C@@H](C)F)nc1 306638821 345506431 /nfs/dbraw/zinc/50/64/31/345506431.db2.gz CBENBGVUIDSMEW-SECBINFHSA-N 0 0 182.242 2.550 10 0 AFAERN Cc1nc([C@@H](O)CC2(C)CCC2)co1 306638348 345506482 /nfs/dbraw/zinc/50/64/82/345506482.db2.gz BUTUAJNZTGKHEP-JTQLQIEISA-N 0 0 195.262 2.597 10 0 AFAERN Cc1ccc(NCC[C@H](C)F)nc1 306638822 345506500 /nfs/dbraw/zinc/50/65/00/345506500.db2.gz CBENBGVUIDSMEW-VIFPVBQESA-N 0 0 182.242 2.550 10 0 AFAERN Cc1cc(O)cc(C(F)F)c1C 306639943 345507912 /nfs/dbraw/zinc/50/79/12/345507912.db2.gz OQLOSPYCVHVQHQ-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN Cc1cc(O)c(C)c(C(F)F)c1 306639804 345508292 /nfs/dbraw/zinc/50/82/92/345508292.db2.gz IJOMRMAUMHTCTB-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN CC[C@H]1C[C@H]1CNc1ncccc1F 306640101 345508544 /nfs/dbraw/zinc/50/85/44/345508544.db2.gz OVYQSROJXYXPLH-IUCAKERBSA-N 0 0 194.253 2.679 10 0 AFAERN CC[C@H]1C[C@H]1CNc1nccs1 306640128 345508548 /nfs/dbraw/zinc/50/85/48/345508548.db2.gz OYBLIXDESAQTHI-YUMQZZPRSA-N 0 0 182.292 2.601 10 0 AFAERN CC[C@@H]1C[C@@H]1CNc1nccs1 306640125 345508703 /nfs/dbraw/zinc/50/87/03/345508703.db2.gz OYBLIXDESAQTHI-HTQZYQBOSA-N 0 0 182.292 2.601 10 0 AFAERN CC[C@H]1C[C@@H]1CNc1nccs1 306640126 345508718 /nfs/dbraw/zinc/50/87/18/345508718.db2.gz OYBLIXDESAQTHI-JGVFFNPUSA-N 0 0 182.292 2.601 10 0 AFAERN CC[C@H]1C[C@@H]1CNc1ncccc1F 306640100 345508867 /nfs/dbraw/zinc/50/88/67/345508867.db2.gz OVYQSROJXYXPLH-DTWKUNHWSA-N 0 0 194.253 2.679 10 0 AFAERN C[C@H]([C@H]1[C@@H](CO)C1(C)C)C(C)(C)C 306640931 345509155 /nfs/dbraw/zinc/50/91/55/345509155.db2.gz LCKYSFLVADKZGO-BBBLOLIVSA-N 0 0 184.323 2.933 10 0 AFAERN C[C@H]([C@@H]1[C@H](CO)C1(C)C)C(C)(C)C 306640932 345509263 /nfs/dbraw/zinc/50/92/63/345509263.db2.gz LCKYSFLVADKZGO-KXUCPTDWSA-N 0 0 184.323 2.933 10 0 AFAERN C[C@H]([C@H]1[C@H](CO)C1(C)C)C(C)(C)C 306640934 345509325 /nfs/dbraw/zinc/50/93/25/345509325.db2.gz LCKYSFLVADKZGO-UTLUCORTSA-N 0 0 184.323 2.933 10 0 AFAERN C[C@H]([C@@H]1[C@@H](CO)C1(C)C)C(C)(C)C 306640933 345509465 /nfs/dbraw/zinc/50/94/65/345509465.db2.gz LCKYSFLVADKZGO-OPRDCNLKSA-N 0 0 184.323 2.933 10 0 AFAERN Cc1cscc1-n1cc[nH]c1=S 306642669 345510903 /nfs/dbraw/zinc/51/09/03/345510903.db2.gz UJIKDJCDSLUSOH-UHFFFAOYSA-N 0 0 196.300 2.531 10 0 AFAERN Cc1cc(OC(F)F)c(C)cc1O 306642973 345511582 /nfs/dbraw/zinc/51/15/82/345511582.db2.gz VLJUTSRNWITDGQ-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN Cc1c(O)ccc(OC(F)F)c1C 306643220 345511687 /nfs/dbraw/zinc/51/16/87/345511687.db2.gz WEYLKYJEOCTBSB-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN Cc1cc(C(F)F)cc(O)c1C 306643462 345512126 /nfs/dbraw/zinc/51/21/26/345512126.db2.gz WSLLXBSJIXJMEA-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN CCCc1nc(Cl)ncc1CC 306643815 345512295 /nfs/dbraw/zinc/51/22/95/345512295.db2.gz XUTZXQCFHVLAPK-UHFFFAOYSA-N 0 0 184.670 2.645 10 0 AFAERN Cc1cc(O)cc(C)c1OC(F)F 306644122 345512805 /nfs/dbraw/zinc/51/28/05/345512805.db2.gz YOYCXPCFNDEXDI-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN Cc1cc(C)c(C(F)F)cc1O 306644421 345513632 /nfs/dbraw/zinc/51/36/32/345513632.db2.gz ZLIVNGHBDAKAQL-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN CC(C)[C@@H](C)[C@]1(CO)CC=CCC1 306645452 345514025 /nfs/dbraw/zinc/51/40/25/345514025.db2.gz CSHFVQZSLIUWAL-VXGBXAGGSA-N 0 0 182.307 2.997 10 0 AFAERN CC(C)[C@H](C)[C@@]1(CO)CC=CCC1 306645451 345514071 /nfs/dbraw/zinc/51/40/71/345514071.db2.gz CSHFVQZSLIUWAL-RYUDHWBXSA-N 0 0 182.307 2.997 10 0 AFAERN CC(C)[C@@H](C)[C@@]1(CO)CC=CCC1 306645447 345514173 /nfs/dbraw/zinc/51/41/73/345514173.db2.gz CSHFVQZSLIUWAL-NEPJUHHUSA-N 0 0 182.307 2.997 10 0 AFAERN CC(C)[C@H](C)[C@]1(CO)CC=CCC1 306645448 345514287 /nfs/dbraw/zinc/51/42/87/345514287.db2.gz CSHFVQZSLIUWAL-NWDGAFQWSA-N 0 0 182.307 2.997 10 0 AFAERN Cc1cscc1NCC(F)F 306644941 345514330 /nfs/dbraw/zinc/51/43/30/345514330.db2.gz AILOSIWKTSHZNA-UHFFFAOYSA-N 0 0 177.219 2.734 10 0 AFAERN C/C=C(/C)C(=O)O[C@H]1C=CCCC1 306646695 345515792 /nfs/dbraw/zinc/51/57/92/345515792.db2.gz DBUGDHGZBRWTGB-BNFOFFDWSA-N 0 0 180.247 2.605 10 0 AFAERN Cc1cocc1-c1cc[nH]c(=S)n1 306647990 345516007 /nfs/dbraw/zinc/51/60/07/345516007.db2.gz DMRKGOKZVOQSPY-UHFFFAOYSA-N 0 0 192.243 2.708 10 0 AFAERN CC1(C)CC(OC(=O)C2CCC2)C1 306649996 345516902 /nfs/dbraw/zinc/51/69/02/345516902.db2.gz FJMQQXJSIHLWKA-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)(C)CSCCF 306650396 345517900 /nfs/dbraw/zinc/51/79/00/345517900.db2.gz FLZRLOGSBWQIEZ-UHFFFAOYSA-N 0 0 150.262 2.735 10 0 AFAERN Cc1cc(C)nc(C(=O)C(C)C)c1 306651024 345518677 /nfs/dbraw/zinc/51/86/77/345518677.db2.gz FUSVVXILVRIHHF-UHFFFAOYSA-N 0 0 177.247 2.537 10 0 AFAERN CCOc1cccc2c1CC=CC2 306652310 345519165 /nfs/dbraw/zinc/51/91/65/345519165.db2.gz GMHJOJDPYQZBAK-UHFFFAOYSA-N 0 0 174.243 2.740 10 0 AFAERN C[C@@H]1[C@@H](n2cccc2C=O)C[C@H]1C 306653030 345519623 /nfs/dbraw/zinc/51/96/23/345519623.db2.gz GPDCFHJMCYHKRH-YWVKMMECSA-N 0 0 177.247 2.518 10 0 AFAERN CC(C)[C@H](C)[C@@H]1CCC[C@H](O)C1 306652998 345519655 /nfs/dbraw/zinc/51/96/55/345519655.db2.gz GSTRHFILSNFKMS-AXFHLTTASA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C[C@H](n2cccc2C=O)[C@@H]1C 306653028 345519731 /nfs/dbraw/zinc/51/97/31/345519731.db2.gz GPDCFHJMCYHKRH-KKZNHRDASA-N 0 0 177.247 2.518 10 0 AFAERN CC(C)[C@H](C)[C@H]1CCC[C@@H](O)C1 306653008 345519734 /nfs/dbraw/zinc/51/97/34/345519734.db2.gz GSTRHFILSNFKMS-GARJFASQSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1[C@H](C)C[C@H]1n1cccc1C=O 306653029 345519797 /nfs/dbraw/zinc/51/97/97/345519797.db2.gz GPDCFHJMCYHKRH-WCABBAIRSA-N 0 0 177.247 2.518 10 0 AFAERN CC(C)[C@H](C)[C@@H]1CCC[C@@H](O)C1 306653012 345519803 /nfs/dbraw/zinc/51/98/03/345519803.db2.gz GSTRHFILSNFKMS-HBNTYKKESA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C[C@@H](n2cccc2C=O)[C@@H]1C 306653027 345519830 /nfs/dbraw/zinc/51/98/30/345519830.db2.gz GPDCFHJMCYHKRH-FXPVBKGRSA-N 0 0 177.247 2.518 10 0 AFAERN CC(C)[C@H](C)[C@H]1CCC[C@H](O)C1 306653003 345519913 /nfs/dbraw/zinc/51/99/13/345519913.db2.gz GSTRHFILSNFKMS-DCAQKATOSA-N 0 0 170.296 2.830 10 0 AFAERN Fc1c(C(F)(F)F)[nH]ccc1=S 306654743 345520496 /nfs/dbraw/zinc/52/04/96/345520496.db2.gz WSNFTXMNDVAFIS-UHFFFAOYSA-N 0 0 197.156 2.528 10 0 AFAERN Cc1cc(F)c(OC(F)F)cc1F 306655711 345521425 /nfs/dbraw/zinc/52/14/25/345521425.db2.gz KVICRJAQRURBBJ-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN CCCc1ccc2cc(N)ccc2n1 306656704 345521888 /nfs/dbraw/zinc/52/18/88/345521888.db2.gz HGJCWFWIFVLHSQ-UHFFFAOYSA-N 0 0 186.258 2.770 10 0 AFAERN COc1c(F)ccc(C(F)F)c1F 306656542 345522035 /nfs/dbraw/zinc/52/20/35/345522035.db2.gz CHQUJAUOQCLSJW-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN C[C@@H]1CC[C@H](N2CCC(F)(F)C2)C1 306657048 345522510 /nfs/dbraw/zinc/52/25/10/345522510.db2.gz HQNBWCDAMSZEGA-BDAKNGLRSA-N 0 0 189.249 2.516 10 0 AFAERN C[C@H]1CC[C@H](N2CCC(F)(F)C2)C1 306657050 345522581 /nfs/dbraw/zinc/52/25/81/345522581.db2.gz HQNBWCDAMSZEGA-IUCAKERBSA-N 0 0 189.249 2.516 10 0 AFAERN C[C@@H]1CC[C@@H](N2CCC(F)(F)C2)C1 306657051 345522624 /nfs/dbraw/zinc/52/26/24/345522624.db2.gz HQNBWCDAMSZEGA-RKDXNWHRSA-N 0 0 189.249 2.516 10 0 AFAERN C[C@H]1CC[C@@H](N2CCC(F)(F)C2)C1 306657049 345522891 /nfs/dbraw/zinc/52/28/91/345522891.db2.gz HQNBWCDAMSZEGA-DTWKUNHWSA-N 0 0 189.249 2.516 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)c1ccc(N)cc1 306658252 345523641 /nfs/dbraw/zinc/52/36/41/345523641.db2.gz IQJHULNBTJGPDD-JOYOIKCWSA-N 0 0 193.290 2.594 10 0 AFAERN CC(C)[C@@H](C)[C@@H](O)c1ccc(N)cc1 306658250 345523703 /nfs/dbraw/zinc/52/37/03/345523703.db2.gz IQJHULNBTJGPDD-BXKDBHETSA-N 0 0 193.290 2.594 10 0 AFAERN CC(C)[C@@H](C)[C@]1(O)CC[C@@H](C)C1 306658595 345523759 /nfs/dbraw/zinc/52/37/59/345523759.db2.gz IVOCNIHOCQJNMB-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](C)[C@@]1(O)CC[C@@H](C)C1 306658596 345523819 /nfs/dbraw/zinc/52/38/19/345523819.db2.gz IVOCNIHOCQJNMB-OUAUKWLOSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](C)[C@H](O)c1ccc(N)cc1 306658251 345523834 /nfs/dbraw/zinc/52/38/34/345523834.db2.gz IQJHULNBTJGPDD-CABZTGNLSA-N 0 0 193.290 2.594 10 0 AFAERN CC(C)[C@@H](C)[C@H](O)c1ccc(N)cc1 306658253 345524103 /nfs/dbraw/zinc/52/41/03/345524103.db2.gz IQJHULNBTJGPDD-SKDRFNHKSA-N 0 0 193.290 2.594 10 0 AFAERN CC(C)[C@@H](C)[C@@]1(O)CC[C@@H](C)C1 306658594 345524194 /nfs/dbraw/zinc/52/41/94/345524194.db2.gz IVOCNIHOCQJNMB-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](C)[C@]1(O)CC[C@@H](C)C1 306658597 345524218 /nfs/dbraw/zinc/52/42/18/345524218.db2.gz IVOCNIHOCQJNMB-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1csc2c(=O)c(Cl)c[nH]c12 306659195 345524445 /nfs/dbraw/zinc/52/44/45/345524445.db2.gz LEISYYXNDAVVFK-UHFFFAOYSA-N 0 0 199.662 2.964 10 0 AFAERN Cc1cc(Cl)cc([C@H]2CO2)c1 306659404 345524526 /nfs/dbraw/zinc/52/45/26/345524526.db2.gz OYTPVWMXTKMUHC-SECBINFHSA-N 0 0 168.623 2.720 10 0 AFAERN C1=C(CNc2ccsc2)COCC1 306659305 345524552 /nfs/dbraw/zinc/52/45/52/345524552.db2.gz LKVITSLLKGNJKK-UHFFFAOYSA-N 0 0 195.287 2.507 10 0 AFAERN Cc1cc(Cl)cc([C@@H]2CO2)c1 306659405 345524817 /nfs/dbraw/zinc/52/48/17/345524817.db2.gz OYTPVWMXTKMUHC-VIFPVBQESA-N 0 0 168.623 2.720 10 0 AFAERN CCOc1ccc(C)c(C)c1OC 306660873 345525398 /nfs/dbraw/zinc/52/53/98/345525398.db2.gz QYUCVONQLMPDNY-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN Cc1c[nH]c(C(=O)C2CCC2)c1C 306662229 345526441 /nfs/dbraw/zinc/52/64/41/345526441.db2.gz TUMWTXASDQKNAG-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1nc(C=O)cs1 306665173 345528929 /nfs/dbraw/zinc/52/89/29/345528929.db2.gz SVWWRSYWRDPKJG-APPZFPTMSA-N 0 0 195.287 2.859 10 0 AFAERN C[C@@H]1CCC[C@H]1c1nc(C=O)cs1 306665176 345529033 /nfs/dbraw/zinc/52/90/33/345529033.db2.gz SVWWRSYWRDPKJG-VXNVDRBHSA-N 0 0 195.287 2.859 10 0 AFAERN C[C@H]1CCC[C@H]1c1nc(C=O)cs1 306665175 345529168 /nfs/dbraw/zinc/52/91/68/345529168.db2.gz SVWWRSYWRDPKJG-IONNQARKSA-N 0 0 195.287 2.859 10 0 AFAERN C[C@H]1CCC[C@@H]1c1nc(C=O)cs1 306665174 345529172 /nfs/dbraw/zinc/52/91/72/345529172.db2.gz SVWWRSYWRDPKJG-CBAPKCEASA-N 0 0 195.287 2.859 10 0 AFAERN CCN(c1cccc(F)n1)C(C)(C)C 306667059 345529976 /nfs/dbraw/zinc/52/99/76/345529976.db2.gz DJWMZJFWAWCGIV-UHFFFAOYSA-N 0 0 196.269 2.846 10 0 AFAERN O[C@]1(c2ccoc2)CC2CCC1CC2 306667553 345530094 /nfs/dbraw/zinc/53/00/94/345530094.db2.gz DTOYTQJCUUWUAO-RTYFJBAXSA-N 0 0 192.258 2.677 10 0 AFAERN O[C@@]1(c2ccoc2)CC2CCC1CC2 306667552 345530109 /nfs/dbraw/zinc/53/01/09/345530109.db2.gz DTOYTQJCUUWUAO-CBINBANVSA-N 0 0 192.258 2.677 10 0 AFAERN CC1(C)CC[C@@](O)(c2ccsn2)C1 306668333 345530637 /nfs/dbraw/zinc/53/06/37/345530637.db2.gz FQUZSSRIIKGHBL-JTQLQIEISA-N 0 0 197.303 2.541 10 0 AFAERN CC1(C)CC[C@](O)(c2ccsn2)C1 306668334 345530709 /nfs/dbraw/zinc/53/07/09/345530709.db2.gz FQUZSSRIIKGHBL-SNVBAGLBSA-N 0 0 197.303 2.541 10 0 AFAERN Cc1coc(NC[C@H]2CC=CCC2)n1 306670105 345532421 /nfs/dbraw/zinc/53/24/21/345532421.db2.gz LMRYXOKSIGPWQR-JTQLQIEISA-N 0 0 192.262 2.751 10 0 AFAERN Cc1coc(NC[C@@H]2CC=CCC2)n1 306670106 345532495 /nfs/dbraw/zinc/53/24/95/345532495.db2.gz LMRYXOKSIGPWQR-SNVBAGLBSA-N 0 0 192.262 2.751 10 0 AFAERN Cc1cc(O)c(C)c(OC(F)F)c1 306670480 345532579 /nfs/dbraw/zinc/53/25/79/345532579.db2.gz CTEFDZMNUWJZJN-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN CC[C@@H]1CCc2nc(Cl)ncc2C1 306670572 345532616 /nfs/dbraw/zinc/53/26/16/345532616.db2.gz XRAPUHCITAVKAV-SSDOTTSWSA-N 0 0 196.681 2.645 10 0 AFAERN CC[C@H]1CCc2nc(Cl)ncc2C1 306670573 345532642 /nfs/dbraw/zinc/53/26/42/345532642.db2.gz XRAPUHCITAVKAV-ZETCQYMHSA-N 0 0 196.681 2.645 10 0 AFAERN Cc1cccnc1[C@H](O)[C@@H](C)C(C)C 306672454 345533709 /nfs/dbraw/zinc/53/37/09/345533709.db2.gz MAMKZTSBJTXRNG-CMPLNLGQSA-N 0 0 193.290 2.716 10 0 AFAERN Cc1cccnc1[C@H](O)[C@H](C)C(C)C 306672457 345533749 /nfs/dbraw/zinc/53/37/49/345533749.db2.gz MAMKZTSBJTXRNG-ZYHUDNBSSA-N 0 0 193.290 2.716 10 0 AFAERN Cc1cccnc1[C@@H](O)[C@@H](C)C(C)C 306672455 345533792 /nfs/dbraw/zinc/53/37/92/345533792.db2.gz MAMKZTSBJTXRNG-JQWIXIFHSA-N 0 0 193.290 2.716 10 0 AFAERN Cc1cccnc1[C@@H](O)[C@H](C)C(C)C 306672456 345533988 /nfs/dbraw/zinc/53/39/88/345533988.db2.gz MAMKZTSBJTXRNG-PWSUYJOCSA-N 0 0 193.290 2.716 10 0 AFAERN Cc1c(N)cc(F)cc1C(F)(F)F 306672887 345534523 /nfs/dbraw/zinc/53/45/23/345534523.db2.gz BNMZAHNRCAJUFD-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN CCN[C@]1(C(F)(F)F)C[C@@H](C)[C@H]1C 306673648 345534837 /nfs/dbraw/zinc/53/48/37/345534837.db2.gz ODGZAZZPHRQSQZ-BWZBUEFSSA-N 0 0 195.228 2.573 10 0 AFAERN Cc1ccnc([C@@H](O)[C@H](C)C(C)C)c1 306673485 345534845 /nfs/dbraw/zinc/53/48/45/345534845.db2.gz NVVBEJKTDUFZIR-PWSUYJOCSA-N 0 0 193.290 2.716 10 0 AFAERN Cc1ccnc([C@H](O)[C@@H](C)C(C)C)c1 306673483 345534876 /nfs/dbraw/zinc/53/48/76/345534876.db2.gz NVVBEJKTDUFZIR-CMPLNLGQSA-N 0 0 193.290 2.716 10 0 AFAERN CCN[C@]1(C(F)(F)F)C[C@@H](C)[C@@H]1C 306673649 345534899 /nfs/dbraw/zinc/53/48/99/345534899.db2.gz ODGZAZZPHRQSQZ-GJMOJQLCSA-N 0 0 195.228 2.573 10 0 AFAERN Cc1ccnc([C@@H](O)[C@@H](C)C(C)C)c1 306673484 345534981 /nfs/dbraw/zinc/53/49/81/345534981.db2.gz NVVBEJKTDUFZIR-JQWIXIFHSA-N 0 0 193.290 2.716 10 0 AFAERN CSCc1nnc(C2CCCC2)o1 306673788 345535038 /nfs/dbraw/zinc/53/50/38/345535038.db2.gz OLVCFJGCAQNWGE-UHFFFAOYSA-N 0 0 198.291 2.590 10 0 AFAERN Cc1ccnc([C@H](O)[C@H](C)C(C)C)c1 306673486 345535121 /nfs/dbraw/zinc/53/51/21/345535121.db2.gz NVVBEJKTDUFZIR-ZYHUDNBSSA-N 0 0 193.290 2.716 10 0 AFAERN CCN[C@]1(C(F)(F)F)C[C@H](C)[C@H]1C 306673650 345535194 /nfs/dbraw/zinc/53/51/94/345535194.db2.gz ODGZAZZPHRQSQZ-XLPZGREQSA-N 0 0 195.228 2.573 10 0 AFAERN CCN[C@]1(C(F)(F)F)C[C@H](C)[C@@H]1C 306673647 345535231 /nfs/dbraw/zinc/53/52/31/345535231.db2.gz ODGZAZZPHRQSQZ-BIIVOSGPSA-N 0 0 195.228 2.573 10 0 AFAERN Cc1ncccc1[C@@H](O)[C@@H](C)C(C)C 306674704 345536856 /nfs/dbraw/zinc/53/68/56/345536856.db2.gz QVLRBQHKUDOSOX-CABZTGNLSA-N 0 0 193.290 2.716 10 0 AFAERN Cc1ncccc1[C@H](O)[C@H](C)C(C)C 306674703 345536929 /nfs/dbraw/zinc/53/69/29/345536929.db2.gz QVLRBQHKUDOSOX-BXKDBHETSA-N 0 0 193.290 2.716 10 0 AFAERN Cc1ncccc1[C@H](O)[C@@H](C)C(C)C 306674705 345536936 /nfs/dbraw/zinc/53/69/36/345536936.db2.gz QVLRBQHKUDOSOX-JOYOIKCWSA-N 0 0 193.290 2.716 10 0 AFAERN Cc1ncccc1[C@@H](O)[C@H](C)C(C)C 306674706 345537037 /nfs/dbraw/zinc/53/70/37/345537037.db2.gz QVLRBQHKUDOSOX-SKDRFNHKSA-N 0 0 193.290 2.716 10 0 AFAERN CC[C@H](NO)c1ccc2[nH]ccc2c1 306674810 345537171 /nfs/dbraw/zinc/53/71/71/345537171.db2.gz RFTTVXCUDGPTTJ-JTQLQIEISA-N 0 0 190.246 2.598 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)[C@H]1CC1(C)C 306675435 345537459 /nfs/dbraw/zinc/53/74/59/345537459.db2.gz SNJNNIAEGVWMCD-IVZWLZJFSA-N 0 0 170.296 2.686 10 0 AFAERN CC(C)[C@H](C)[C@H](O)[C@H]1CC1(C)C 306675433 345537669 /nfs/dbraw/zinc/53/76/69/345537669.db2.gz SNJNNIAEGVWMCD-AEJSXWLSSA-N 0 0 170.296 2.686 10 0 AFAERN CC(C)[C@H](C)[C@H](O)[C@@H]1CC1(C)C 306675434 345537744 /nfs/dbraw/zinc/53/77/44/345537744.db2.gz SNJNNIAEGVWMCD-GUBZILKMSA-N 0 0 170.296 2.686 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)[C@@H]1CC1(C)C 306675436 345537748 /nfs/dbraw/zinc/53/77/48/345537748.db2.gz SNJNNIAEGVWMCD-LPEHRKFASA-N 0 0 170.296 2.686 10 0 AFAERN CC(C)[C@H](C)[C@]1(O)C=CCCC1 306675843 345538200 /nfs/dbraw/zinc/53/82/00/345538200.db2.gz UNHHHBKKHZNUMQ-QWRGUYRKSA-N 0 0 168.280 2.750 10 0 AFAERN CSc1ccncc1NC1CCC1 306675936 345538230 /nfs/dbraw/zinc/53/82/30/345538230.db2.gz UVADYMCPJLNJDS-UHFFFAOYSA-N 0 0 194.303 2.768 10 0 AFAERN CC(C)[C@@H](C)[C@]1(O)C=CCCC1 306675842 345538236 /nfs/dbraw/zinc/53/82/36/345538236.db2.gz UNHHHBKKHZNUMQ-MNOVXSKESA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)[C@@H](C)[C@@]1(O)C=CCCC1 306675841 345538343 /nfs/dbraw/zinc/53/83/43/345538343.db2.gz UNHHHBKKHZNUMQ-GHMZBOCLSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)[C@@H](O)c1ccc(N)cc1Cl 306676552 345538519 /nfs/dbraw/zinc/53/85/19/345538519.db2.gz WKMSITASRDVRFH-SNVBAGLBSA-N 0 0 199.681 2.612 10 0 AFAERN Cc1ccoc1[C@@H](O)[C@@H](C)C(C)C 306676643 345538535 /nfs/dbraw/zinc/53/85/35/345538535.db2.gz WRJBEJPLZBNTFJ-UWVGGRQHSA-N 0 0 182.263 2.914 10 0 AFAERN Cc1ccoc1[C@H](O)[C@H](C)C(C)C 306676642 345538606 /nfs/dbraw/zinc/53/86/06/345538606.db2.gz WRJBEJPLZBNTFJ-NXEZZACHSA-N 0 0 182.263 2.914 10 0 AFAERN Cc1ccoc1[C@@H](O)[C@H](C)C(C)C 306676645 345538708 /nfs/dbraw/zinc/53/87/08/345538708.db2.gz WRJBEJPLZBNTFJ-ZJUUUORDSA-N 0 0 182.263 2.914 10 0 AFAERN CC(C)[C@H](O)c1ccc(N)cc1Cl 306676551 345538859 /nfs/dbraw/zinc/53/88/59/345538859.db2.gz WKMSITASRDVRFH-JTQLQIEISA-N 0 0 199.681 2.612 10 0 AFAERN Cc1ccoc1[C@H](O)[C@@H](C)C(C)C 306676644 345538864 /nfs/dbraw/zinc/53/88/64/345538864.db2.gz WRJBEJPLZBNTFJ-VHSXEESVSA-N 0 0 182.263 2.914 10 0 AFAERN C[C@@H]1C[C@@]1(C)OC(=O)c1ccsc1 306677280 345539557 /nfs/dbraw/zinc/53/95/57/345539557.db2.gz YJVPGPZQKCGPOE-GMSGAONNSA-N 0 0 196.271 2.703 10 0 AFAERN C[C@H]1C[C@]1(C)OC(=O)c1ccsc1 306677283 345539583 /nfs/dbraw/zinc/53/95/83/345539583.db2.gz YJVPGPZQKCGPOE-XVKPBYJWSA-N 0 0 196.271 2.703 10 0 AFAERN C[C@H]1C[C@@]1(C)OC(=O)c1ccsc1 306677281 345539638 /nfs/dbraw/zinc/53/96/38/345539638.db2.gz YJVPGPZQKCGPOE-OIBJUYFYSA-N 0 0 196.271 2.703 10 0 AFAERN C[C@@H]1C[C@]1(C)OC(=O)c1ccsc1 306677282 345539640 /nfs/dbraw/zinc/53/96/40/345539640.db2.gz YJVPGPZQKCGPOE-XCBNKYQSSA-N 0 0 196.271 2.703 10 0 AFAERN FCCCNc1noc2ccccc12 306677831 345539952 /nfs/dbraw/zinc/53/99/52/345539952.db2.gz ZZLIHBDWJNAWKV-UHFFFAOYSA-N 0 0 194.209 2.599 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)OC1(C)CCCC1 306680131 345541525 /nfs/dbraw/zinc/54/15/25/345541525.db2.gz JXPBOQZIKKSPLO-IUCAKERBSA-N 0 0 182.263 2.518 10 0 AFAERN O[C@H]1CCCC[C@@]1(F)c1ccccc1 306679311 345541578 /nfs/dbraw/zinc/54/15/78/345541578.db2.gz HOEVWAMBAUAZRI-NWDGAFQWSA-N 0 0 194.249 2.786 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)OC1(C)CCCC1 306680132 345541636 /nfs/dbraw/zinc/54/16/36/345541636.db2.gz JXPBOQZIKKSPLO-RKDXNWHRSA-N 0 0 182.263 2.518 10 0 AFAERN Cc1cc(N)cc(N(C)C(C)(C)C)c1 306680722 345542220 /nfs/dbraw/zinc/54/22/20/345542220.db2.gz LVSWUBIRQTUSOM-UHFFFAOYSA-N 0 0 192.306 2.812 10 0 AFAERN CN(c1ccc(N)cc1F)C(C)(C)C 306681145 345542973 /nfs/dbraw/zinc/54/29/73/345542973.db2.gz NBNCMUQMOBGHLB-UHFFFAOYSA-N 0 0 196.269 2.643 10 0 AFAERN Cc1cc(C(=O)C(C)(C)C)sn1 306681193 345543112 /nfs/dbraw/zinc/54/31/12/345543112.db2.gz NGNHMSQFALMIHS-UHFFFAOYSA-N 0 0 183.276 2.680 10 0 AFAERN CN(c1ccccc1C=O)C(C)(C)C 306682280 345544101 /nfs/dbraw/zinc/54/41/01/345544101.db2.gz QTQSAKOLBKTGHB-UHFFFAOYSA-N 0 0 191.274 2.734 10 0 AFAERN CC(=O)c1ccc(N(C)C(C)(C)C)o1 306683731 345545024 /nfs/dbraw/zinc/54/50/24/345545024.db2.gz XFEBAFQHZFNTTH-UHFFFAOYSA-N 0 0 195.262 2.717 10 0 AFAERN Cc1sc(CC(C)C)nc1[C@H](C)O 306683763 345545050 /nfs/dbraw/zinc/54/50/50/345545050.db2.gz XKRLYMDOUORYCM-ZETCQYMHSA-N 0 0 199.319 2.703 10 0 AFAERN Cc1sc(CC(C)C)nc1[C@@H](C)O 306683762 345545293 /nfs/dbraw/zinc/54/52/93/345545293.db2.gz XKRLYMDOUORYCM-SSDOTTSWSA-N 0 0 199.319 2.703 10 0 AFAERN CC1CC(OC(=O)C2CCCC2)C1 306684941 345546577 /nfs/dbraw/zinc/54/65/77/345546577.db2.gz BTRHOWIPMOEIHA-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN CCC1(Nc2nc(C)cs2)CC1 306688640 345548206 /nfs/dbraw/zinc/54/82/06/345548206.db2.gz NBPLRCZBBWPJBG-UHFFFAOYSA-N 0 0 182.292 2.806 10 0 AFAERN CCc1nc([C@@H](C)C(C)(C)C)n[nH]1 306690310 345548769 /nfs/dbraw/zinc/54/87/69/345548769.db2.gz PEFMRAPNFPXNAH-SSDOTTSWSA-N 0 0 181.283 2.517 10 0 AFAERN CCCNc1cc(C)c(N)cc1F 306690001 345549001 /nfs/dbraw/zinc/54/90/01/345549001.db2.gz LOXLWFOXULSKKQ-UHFFFAOYSA-N 0 0 182.242 2.538 10 0 AFAERN CCc1nc([C@H](C)C(C)(C)C)n[nH]1 306690311 345549083 /nfs/dbraw/zinc/54/90/83/345549083.db2.gz PEFMRAPNFPXNAH-ZETCQYMHSA-N 0 0 181.283 2.517 10 0 AFAERN C[C@H](C(=O)C1CC1)C(C)(C)C 306690486 345549541 /nfs/dbraw/zinc/54/95/41/345549541.db2.gz PGWLXBQGHLHGER-SSDOTTSWSA-N 0 0 154.253 2.648 10 0 AFAERN CCC1CC(Nc2cccnc2)C1 306691039 345549616 /nfs/dbraw/zinc/54/96/16/345549616.db2.gz NFRJIQANQHSDCD-UHFFFAOYSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@@H](C(=O)C1CC1)C(C)(C)C 306690488 345549657 /nfs/dbraw/zinc/54/96/57/345549657.db2.gz PGWLXBQGHLHGER-ZETCQYMHSA-N 0 0 154.253 2.648 10 0 AFAERN CSc1cc(C)c(C)cc1N 306694958 345552453 /nfs/dbraw/zinc/55/24/53/345552453.db2.gz UHGJHARFCMOINU-UHFFFAOYSA-N 0 0 167.277 2.608 10 0 AFAERN Oc1cccc(S[C@@H]2CCCO2)c1 306696536 345552935 /nfs/dbraw/zinc/55/29/35/345552935.db2.gz WSNWEXNHYXWLOQ-SNVBAGLBSA-N 0 0 196.271 2.621 10 0 AFAERN Oc1cccc(S[C@H]2CCCO2)c1 306696535 345552967 /nfs/dbraw/zinc/55/29/67/345552967.db2.gz WSNWEXNHYXWLOQ-JTQLQIEISA-N 0 0 196.271 2.621 10 0 AFAERN CCOc1cc(C)c(C)c(F)c1 306698083 345553964 /nfs/dbraw/zinc/55/39/64/345553964.db2.gz GTFRCIRTJHNMEV-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN CCc1ccccc1C1=C[C@@H](O)CC1 306699430 345554332 /nfs/dbraw/zinc/55/43/32/345554332.db2.gz DIYMYNYHJDGUFL-LBPRGKRZSA-N 0 0 188.270 2.787 10 0 AFAERN CCc1ccccc1C1=C[C@H](O)CC1 306699427 345554336 /nfs/dbraw/zinc/55/43/36/345554336.db2.gz DIYMYNYHJDGUFL-GFCCVEGCSA-N 0 0 188.270 2.787 10 0 AFAERN CC[C@H](C1CCC1)n1cc[nH]c1=S 306698987 345554361 /nfs/dbraw/zinc/55/43/61/345554361.db2.gz DGSZHKYFCCDEEQ-SECBINFHSA-N 0 0 196.319 2.923 10 0 AFAERN CC[C@@H](C1CCC1)n1cc[nH]c1=S 306698989 345554452 /nfs/dbraw/zinc/55/44/52/345554452.db2.gz DGSZHKYFCCDEEQ-VIFPVBQESA-N 0 0 196.319 2.923 10 0 AFAERN CCOc1c(OC)ccc(C)c1C 306701397 345555850 /nfs/dbraw/zinc/55/58/50/345555850.db2.gz KPTUPQAUBGNLMU-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN CC(C)[C@@H](C)Nc1cc(F)ccn1 306706085 345559444 /nfs/dbraw/zinc/55/94/44/345559444.db2.gz IOUZWZGFCRDWKK-MRVPVSSYSA-N 0 0 182.242 2.677 10 0 AFAERN CC(C)[C@H](C)Nc1cc(F)ccn1 306706088 345559638 /nfs/dbraw/zinc/55/96/38/345559638.db2.gz IOUZWZGFCRDWKK-QMMMGPOBSA-N 0 0 182.242 2.677 10 0 AFAERN CCC1(C(=O)c2ccsn2)CC1 306706540 345559825 /nfs/dbraw/zinc/55/98/25/345559825.db2.gz LRDXXMMURDTHPA-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN c1ccc(OCC2CCCC2)nc1 306708292 345561853 /nfs/dbraw/zinc/56/18/53/345561853.db2.gz KPVABIMRCVAHIS-UHFFFAOYSA-N 0 0 177.247 2.651 10 0 AFAERN Cc1cc([C@H]2CCCCC2=O)sn1 306708711 345562327 /nfs/dbraw/zinc/56/23/27/345562327.db2.gz LDJWFYLARWUTCD-QMMMGPOBSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1cc([C@@H]2CCCCC2=O)sn1 306708710 345562388 /nfs/dbraw/zinc/56/23/88/345562388.db2.gz LDJWFYLARWUTCD-MRVPVSSYSA-N 0 0 195.287 2.678 10 0 AFAERN CSC(C)(C)[C@@H](O)C1CCCC1 306709662 345562890 /nfs/dbraw/zinc/56/28/90/345562890.db2.gz QAPINYICOBCGRM-VIFPVBQESA-N 0 0 188.336 2.679 10 0 AFAERN CSC(C)(C)[C@H](O)C1CCCC1 306709661 345562963 /nfs/dbraw/zinc/56/29/63/345562963.db2.gz QAPINYICOBCGRM-SECBINFHSA-N 0 0 188.336 2.679 10 0 AFAERN CC1(C)CN(c2ccnc(Cl)c2)C1 306711897 345564554 /nfs/dbraw/zinc/56/45/54/345564554.db2.gz OAWRBSRQNHFLEC-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN CSC(C)(C)c1nccs1 306713646 345565761 /nfs/dbraw/zinc/56/57/61/345565761.db2.gz VWDXBAPCKPTSDW-UHFFFAOYSA-N 0 0 173.306 2.741 10 0 AFAERN C[C@H](CC(N)=S)C1CCCCC1 306714011 345566052 /nfs/dbraw/zinc/56/60/52/345566052.db2.gz WJQANDSJQPAAJW-MRVPVSSYSA-N 0 0 185.336 2.879 10 0 AFAERN C[C@@H](CC(N)=S)C1CCCCC1 306714012 345566149 /nfs/dbraw/zinc/56/61/49/345566149.db2.gz WJQANDSJQPAAJW-QMMMGPOBSA-N 0 0 185.336 2.879 10 0 AFAERN CC[C@@H](F)C[NH+]1CCC(C)(C)CC1 306714406 345566160 /nfs/dbraw/zinc/56/61/60/345566160.db2.gz WXQPADJCAKWUJL-SNVBAGLBSA-N 0 0 187.302 2.857 10 0 AFAERN CC[C@H](F)C[NH+]1CCC(C)(C)CC1 306714405 345566201 /nfs/dbraw/zinc/56/62/01/345566201.db2.gz WXQPADJCAKWUJL-JTQLQIEISA-N 0 0 187.302 2.857 10 0 AFAERN c1nc(NCCC2CCCCC2)c[nH]1 306717013 345568725 /nfs/dbraw/zinc/56/87/25/345568725.db2.gz GSXAMNSLANDQBU-UHFFFAOYSA-N 0 0 193.294 2.792 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1ccsc1C 306717601 345569205 /nfs/dbraw/zinc/56/92/05/345569205.db2.gz VIXONZFOTYVMKT-UWVGGRQHSA-N 0 0 180.272 2.749 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1ccsc1C 306717602 345569241 /nfs/dbraw/zinc/56/92/41/345569241.db2.gz VIXONZFOTYVMKT-VHSXEESVSA-N 0 0 180.272 2.749 10 0 AFAERN CC1(CNc2ccc(O)cc2)CC1 306717590 345569308 /nfs/dbraw/zinc/56/93/08/345569308.db2.gz VHDPNCFJJRQZQD-UHFFFAOYSA-N 0 0 177.247 2.604 10 0 AFAERN C[C@@H](C[C@@]1(C)CCC(=O)N1)C(C)(C)C 306717247 345569328 /nfs/dbraw/zinc/56/93/28/345569328.db2.gz UVIVSIAPPXUESD-JOYOIKCWSA-N 0 0 197.322 2.727 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1ccsc1C 306717603 345569390 /nfs/dbraw/zinc/56/93/90/345569390.db2.gz VIXONZFOTYVMKT-ZJUUUORDSA-N 0 0 180.272 2.749 10 0 AFAERN C[C@@H](C[C@]1(C)CCC(=O)N1)C(C)(C)C 306717246 345569394 /nfs/dbraw/zinc/56/93/94/345569394.db2.gz UVIVSIAPPXUESD-CABZTGNLSA-N 0 0 197.322 2.727 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1ccsc1C 306717600 345569420 /nfs/dbraw/zinc/56/94/20/345569420.db2.gz VIXONZFOTYVMKT-NXEZZACHSA-N 0 0 180.272 2.749 10 0 AFAERN C[C@H](C[C@]1(C)CCC(=O)N1)C(C)(C)C 306717248 345569468 /nfs/dbraw/zinc/56/94/68/345569468.db2.gz UVIVSIAPPXUESD-SKDRFNHKSA-N 0 0 197.322 2.727 10 0 AFAERN FCOc1ccc(Cl)c(F)c1F 306717827 345569488 /nfs/dbraw/zinc/56/94/88/345569488.db2.gz HXEHWIYTIIQINA-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN C[C@H](C[C@@]1(C)CCC(=O)N1)C(C)(C)C 306717245 345569492 /nfs/dbraw/zinc/56/94/92/345569492.db2.gz UVIVSIAPPXUESD-BXKDBHETSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H](F)C[N@@H+]1CCCC(C)(C)C1 306718915 345570282 /nfs/dbraw/zinc/57/02/82/345570282.db2.gz WWCORJMGZFZPNF-SNVBAGLBSA-N 0 0 187.302 2.857 10 0 AFAERN CC[C@H](F)C[N@@H+]1CCCC(C)(C)C1 306718913 345570385 /nfs/dbraw/zinc/57/03/85/345570385.db2.gz WWCORJMGZFZPNF-JTQLQIEISA-N 0 0 187.302 2.857 10 0 AFAERN CCOc1cc(F)cc(C)c1C 306719827 345571083 /nfs/dbraw/zinc/57/10/83/345571083.db2.gz MBEIPKXDFCIIDJ-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cscn1 306720097 345571515 /nfs/dbraw/zinc/57/15/15/345571515.db2.gz MFLDCAMTLOFERN-XHNCKOQMSA-N 0 0 196.319 2.592 10 0 AFAERN CC1([C@H]([NH3+])C(F)F)CCCCC1 306720170 345571523 /nfs/dbraw/zinc/57/15/23/345571523.db2.gz MNIHJOCRLJXQME-SSDOTTSWSA-N 0 0 177.238 2.549 10 0 AFAERN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cscn1 306720096 345571533 /nfs/dbraw/zinc/57/15/33/345571533.db2.gz MFLDCAMTLOFERN-VGMNWLOBSA-N 0 0 196.319 2.592 10 0 AFAERN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cscn1 306720095 345571594 /nfs/dbraw/zinc/57/15/94/345571594.db2.gz MFLDCAMTLOFERN-HRDYMLBCSA-N 0 0 196.319 2.592 10 0 AFAERN CC1([C@@H]([NH3+])C(F)F)CCCCC1 306720171 345571618 /nfs/dbraw/zinc/57/16/18/345571618.db2.gz MNIHJOCRLJXQME-ZETCQYMHSA-N 0 0 177.238 2.549 10 0 AFAERN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cscn1 306720094 345571665 /nfs/dbraw/zinc/57/16/65/345571665.db2.gz MFLDCAMTLOFERN-CIUDSAMLSA-N 0 0 196.319 2.592 10 0 AFAERN Clc1nc(CCC2CC2)ns1 306751536 345591812 /nfs/dbraw/zinc/59/18/12/345591812.db2.gz NJOFJSQHRRQCAF-UHFFFAOYSA-N 0 0 188.683 2.534 10 0 AFAERN CC1(CC(=O)c2ccccn2)CCC1 306722935 345573058 /nfs/dbraw/zinc/57/30/58/345573058.db2.gz FZPXILBVACCPQM-UHFFFAOYSA-N 0 0 189.258 2.845 10 0 AFAERN COc1cccc(C2=CCCC2)c1O 306722263 345573124 /nfs/dbraw/zinc/57/31/24/345573124.db2.gz FPUFHRYJCUNPKE-UHFFFAOYSA-N 0 0 190.242 2.968 10 0 AFAERN CSc1noc(C2CCCCC2)n1 306723378 345573707 /nfs/dbraw/zinc/57/37/07/345573707.db2.gz GYHNMPGMXBMTOE-UHFFFAOYSA-N 0 0 198.291 2.839 10 0 AFAERN CC1(C)CC(n2cccc2C=O)C1 306725255 345575900 /nfs/dbraw/zinc/57/59/00/345575900.db2.gz WOLDTXMDMZMITP-UHFFFAOYSA-N 0 0 177.247 2.662 10 0 AFAERN Cc1cc(C2=CCCCC2)cnc1N 306726013 345576387 /nfs/dbraw/zinc/57/63/87/345576387.db2.gz LOLOITGFKNMQNY-UHFFFAOYSA-N 0 0 188.274 2.930 10 0 AFAERN CCC(C)(C)CNc1cnc(C)nc1 306726245 345576404 /nfs/dbraw/zinc/57/64/04/345576404.db2.gz YXGIAXPGGRUMOQ-UHFFFAOYSA-N 0 0 193.294 2.633 10 0 AFAERN FCOc1ccc(F)c(F)c1Cl 306726082 345576616 /nfs/dbraw/zinc/57/66/16/345576616.db2.gz YOUWZVYOJCGAFX-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN FC(F)(F)c1nccc2[nH]ccc12 306728574 345578132 /nfs/dbraw/zinc/57/81/32/345578132.db2.gz BVMNIHNIQQTPCW-UHFFFAOYSA-N 0 0 186.136 2.533 10 0 AFAERN CCCC1SC(=S)N=C1C 306729198 345578350 /nfs/dbraw/zinc/57/83/50/345578350.db2.gz CTRPVUVANWNUEX-UHFFFAOYSA-N 0 0 173.306 2.693 10 0 AFAERN CNc1cc(C)nc([C@@H](C)C(C)C)n1 306730087 345579366 /nfs/dbraw/zinc/57/93/66/345579366.db2.gz PEKROCQZTNUREE-VIFPVBQESA-N 0 0 193.294 2.586 10 0 AFAERN CNc1cc(C)nc([C@H](C)C(C)C)n1 306730086 345579388 /nfs/dbraw/zinc/57/93/88/345579388.db2.gz PEKROCQZTNUREE-SECBINFHSA-N 0 0 193.294 2.586 10 0 AFAERN OC[C@@]1(Cc2ccoc2)CC=CCC1 306731240 345579633 /nfs/dbraw/zinc/57/96/33/345579633.db2.gz QOQLNQNXESJRKY-LBPRGKRZSA-N 0 0 192.258 2.541 10 0 AFAERN Cc1nc([C@@H]2CCCCC2=O)cs1 306730684 345579613 /nfs/dbraw/zinc/57/96/13/345579613.db2.gz FLENYKMVLYUXHI-QMMMGPOBSA-N 0 0 195.287 2.678 10 0 AFAERN OC[C@]1(Cc2ccoc2)CC=CCC1 306731229 345579658 /nfs/dbraw/zinc/57/96/58/345579658.db2.gz QOQLNQNXESJRKY-GFCCVEGCSA-N 0 0 192.258 2.541 10 0 AFAERN Cc1nc(C(C(C)C)C(C)C)n[nH]1 306730741 345579680 /nfs/dbraw/zinc/57/96/80/345579680.db2.gz PSVXCTDBMQSOON-UHFFFAOYSA-N 0 0 181.283 2.509 10 0 AFAERN Cc1nc([C@H]2CCCCC2=O)cs1 306730683 345579705 /nfs/dbraw/zinc/57/97/05/345579705.db2.gz FLENYKMVLYUXHI-MRVPVSSYSA-N 0 0 195.287 2.678 10 0 AFAERN CC(C)(C)C(C)(C)Nc1nncs1 306730705 345579722 /nfs/dbraw/zinc/57/97/22/345579722.db2.gz PRMGUODDGCXJTE-UHFFFAOYSA-N 0 0 199.323 2.775 10 0 AFAERN Cc1nc(CC2CCCC2)c(N)s1 306731280 345580283 /nfs/dbraw/zinc/58/02/83/345580283.db2.gz FZQYWBZJOAGGOA-UHFFFAOYSA-N 0 0 196.319 2.766 10 0 AFAERN C[C@H]1CCC[C@@H]1c1ncc(C=O)s1 306732114 345580539 /nfs/dbraw/zinc/58/05/39/345580539.db2.gz GXJKGHXURJTWGN-CBAPKCEASA-N 0 0 195.287 2.859 10 0 AFAERN C[C@@H]1CCC[C@H]1c1ncc(C=O)s1 306732116 345580694 /nfs/dbraw/zinc/58/06/94/345580694.db2.gz GXJKGHXURJTWGN-VXNVDRBHSA-N 0 0 195.287 2.859 10 0 AFAERN C[C@H]1CCC[C@H]1c1ncc(C=O)s1 306732115 345580768 /nfs/dbraw/zinc/58/07/68/345580768.db2.gz GXJKGHXURJTWGN-IONNQARKSA-N 0 0 195.287 2.859 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1ncc(C=O)s1 306732113 345580889 /nfs/dbraw/zinc/58/08/89/345580889.db2.gz GXJKGHXURJTWGN-APPZFPTMSA-N 0 0 195.287 2.859 10 0 AFAERN CSc1ccc(NCC2CC2)cn1 306734330 345581832 /nfs/dbraw/zinc/58/18/32/345581832.db2.gz USUGLXJKOBXBIT-UHFFFAOYSA-N 0 0 194.303 2.625 10 0 AFAERN CC(C)C(c1nnc(N)s1)C(C)C 306734949 345582089 /nfs/dbraw/zinc/58/20/89/345582089.db2.gz VKXNPMGMPDMPOO-UHFFFAOYSA-N 0 0 199.323 2.516 10 0 AFAERN Cc1cc([C@]2(O)C[C@@H](C)[C@@H]2C)cs1 306734929 345582496 /nfs/dbraw/zinc/58/24/96/345582496.db2.gz VJRHNTPLUWUADM-HDBBIHSSSA-N 0 0 196.315 2.920 10 0 AFAERN Cc1cc([C@]2(O)C[C@H](C)[C@@H]2C)cs1 306734927 345582439 /nfs/dbraw/zinc/58/24/39/345582439.db2.gz VJRHNTPLUWUADM-ARENWVFISA-N 0 0 196.315 2.920 10 0 AFAERN Cc1cc([C@]2(O)C[C@H](C)[C@H]2C)cs1 306734939 345582536 /nfs/dbraw/zinc/58/25/36/345582536.db2.gz VJRHNTPLUWUADM-NMLBEHRDSA-N 0 0 196.315 2.920 10 0 AFAERN Cc1cocc1-c1cncc(=S)[nH]1 306735889 345583279 /nfs/dbraw/zinc/58/32/79/345583279.db2.gz PYQREOUVQRGOLO-UHFFFAOYSA-N 0 0 192.243 2.708 10 0 AFAERN CC1(CC(=O)c2cccnc2)CCC1 306736584 345583771 /nfs/dbraw/zinc/58/37/71/345583771.db2.gz XSDYJCYXVDGQSH-UHFFFAOYSA-N 0 0 189.258 2.845 10 0 AFAERN Cc1cc(N)c(OCC2CC2)cc1C 306744703 345588258 /nfs/dbraw/zinc/58/82/58/345588258.db2.gz YOMJZTRTGDHHPS-UHFFFAOYSA-N 0 0 191.274 2.674 10 0 AFAERN CCCSC1=N[C@H](C)CS1 306746847 345589156 /nfs/dbraw/zinc/58/91/56/345589156.db2.gz DLWJZXJBOCAALO-ZCFIWIBFSA-N 0 0 175.322 2.621 10 0 AFAERN CCCSC1=N[C@@H](C)CS1 306746844 345589322 /nfs/dbraw/zinc/58/93/22/345589322.db2.gz DLWJZXJBOCAALO-LURJTMIESA-N 0 0 175.322 2.621 10 0 AFAERN C[C@H](Nc1ccsc1)[C@H]1CCCO1 306747851 345589540 /nfs/dbraw/zinc/58/95/40/345589540.db2.gz GDOZXGSYZIFGEA-WCBMZHEXSA-N 0 0 197.303 2.728 10 0 AFAERN C[C@@H](Nc1ccsc1)[C@@H]1CCCO1 306747848 345589624 /nfs/dbraw/zinc/58/96/24/345589624.db2.gz GDOZXGSYZIFGEA-SCZZXKLOSA-N 0 0 197.303 2.728 10 0 AFAERN C[C@H](Nc1ccsc1)[C@@H]1CCCO1 306747852 345589768 /nfs/dbraw/zinc/58/97/68/345589768.db2.gz GDOZXGSYZIFGEA-WPRPVWTQSA-N 0 0 197.303 2.728 10 0 AFAERN CC1CC(c2nnc(C(C)C)o2)C1 306747870 345589815 /nfs/dbraw/zinc/58/98/15/345589815.db2.gz FDBVOJXBVNWRNM-UHFFFAOYSA-N 0 0 180.251 2.707 10 0 AFAERN C[C@@H](Nc1ccsc1)[C@H]1CCCO1 306747847 345589892 /nfs/dbraw/zinc/58/98/92/345589892.db2.gz GDOZXGSYZIFGEA-PSASIEDQSA-N 0 0 197.303 2.728 10 0 AFAERN CCC1(Nc2ccccc2N)CC1 306749487 345590844 /nfs/dbraw/zinc/59/08/44/345590844.db2.gz KCOQHMHHUDDZJG-UHFFFAOYSA-N 0 0 176.263 2.623 10 0 AFAERN Nc1cc(F)ccc1-c1ccns1 306749287 345590943 /nfs/dbraw/zinc/59/09/43/345590943.db2.gz DEXUGDBOIZCAHI-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CC(=O)c1ccc(C)c(C)c1F 306750404 345591266 /nfs/dbraw/zinc/59/12/66/345591266.db2.gz MNISMCDFAIJEQM-UHFFFAOYSA-N 0 0 166.195 2.645 10 0 AFAERN CCNc1cccc(C)c1C(C)=O 306755016 345593032 /nfs/dbraw/zinc/59/30/32/345593032.db2.gz KOCQILJVPLVEDP-UHFFFAOYSA-N 0 0 177.247 2.629 10 0 AFAERN CCC1(Nc2cccc(C)n2)CC1 306755178 345593231 /nfs/dbraw/zinc/59/32/31/345593231.db2.gz NJBWOZCUUIEAKN-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN COC1CC(Nc2cscc2C)C1 306756306 345593370 /nfs/dbraw/zinc/59/33/70/345593370.db2.gz PYZLQHXPMKYKGI-UHFFFAOYSA-N 0 0 197.303 2.646 10 0 AFAERN Nc1c(F)cccc1C1=CCCC1 306756835 345593744 /nfs/dbraw/zinc/59/37/44/345593744.db2.gz MODBAJALJGVTJU-UHFFFAOYSA-N 0 0 177.222 2.975 10 0 AFAERN Cc1cc(Cl)nnc1C1CCC1 306757155 345593931 /nfs/dbraw/zinc/59/39/31/345593931.db2.gz RMPKPENQKGICCW-UHFFFAOYSA-N 0 0 182.654 2.706 10 0 AFAERN C[C@H](c1ccc(F)cc1)[NH+]1CCC1 306757362 345594130 /nfs/dbraw/zinc/59/41/30/345594130.db2.gz NEMHAYNRCVREMO-SECBINFHSA-N 0 0 179.238 2.592 10 0 AFAERN C[C@@H](c1ccc(F)cc1)[NH+]1CCC1 306757363 345594264 /nfs/dbraw/zinc/59/42/64/345594264.db2.gz NEMHAYNRCVREMO-VIFPVBQESA-N 0 0 179.238 2.592 10 0 AFAERN C[C@H]1CCC[C@@H](c2cc(N)no2)C1 306757831 345594508 /nfs/dbraw/zinc/59/45/08/345594508.db2.gz SXKCBYOFBJYSGG-JGVFFNPUSA-N 0 0 180.251 2.551 10 0 AFAERN C[C@@H]1CCC[C@@H](c2cc(N)no2)C1 306757830 345594576 /nfs/dbraw/zinc/59/45/76/345594576.db2.gz SXKCBYOFBJYSGG-HTQZYQBOSA-N 0 0 180.251 2.551 10 0 AFAERN C[C@@H]1CCC[C@H](c2cc(N)no2)C1 306757832 345594639 /nfs/dbraw/zinc/59/46/39/345594639.db2.gz SXKCBYOFBJYSGG-SFYZADRCSA-N 0 0 180.251 2.551 10 0 AFAERN C[C@H]1CCC[C@H](c2cc(N)no2)C1 306757833 345594784 /nfs/dbraw/zinc/59/47/84/345594784.db2.gz SXKCBYOFBJYSGG-YUMQZZPRSA-N 0 0 180.251 2.551 10 0 AFAERN CC[C@@]1(C)C[NH2+][C@H]1c1ccoc1C 306759543 345595860 /nfs/dbraw/zinc/59/58/60/345595860.db2.gz WOJIADLTXJSTTR-QWRGUYRKSA-N 0 0 179.263 2.649 10 0 AFAERN Cc1cnccc1S[C@H]1CCCO1 306762668 345598445 /nfs/dbraw/zinc/59/84/45/345598445.db2.gz DURIMJWTOOQWAU-JTQLQIEISA-N 0 0 195.287 2.619 10 0 AFAERN CC1(C)CC[C@H]1Nc1cccc(N)c1 306763070 345598542 /nfs/dbraw/zinc/59/85/42/345598542.db2.gz FOACYNCRHWCUTD-LLVKDONJSA-N 0 0 190.290 2.869 10 0 AFAERN Cc1cc(F)c(F)c(OC(F)F)c1 306763035 345598578 /nfs/dbraw/zinc/59/85/78/345598578.db2.gz FIULZWIXZGGUKG-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN CCn1ccc(NC2CC(C)(C)C2)n1 306763115 345598645 /nfs/dbraw/zinc/59/86/45/345598645.db2.gz FTORCNMVFUBELQ-UHFFFAOYSA-N 0 0 193.294 2.504 10 0 AFAERN CC1(C)CC[C@@H]1Nc1cccc(N)c1 306763071 345598798 /nfs/dbraw/zinc/59/87/98/345598798.db2.gz FOACYNCRHWCUTD-NSHDSACASA-N 0 0 190.290 2.869 10 0 AFAERN Cc1cnccc1S[C@@H]1CCCO1 306762669 345598856 /nfs/dbraw/zinc/59/88/56/345598856.db2.gz DURIMJWTOOQWAU-SNVBAGLBSA-N 0 0 195.287 2.619 10 0 AFAERN CC1(C)CN(c2cccc(Cl)n2)C1 306764260 345599973 /nfs/dbraw/zinc/59/99/73/345599973.db2.gz VHMPUGQWAUAYKL-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN Cc1c(Cl)ccc(Cl)c1C[NH3+] 306765108 345600321 /nfs/dbraw/zinc/60/03/21/345600321.db2.gz HRYDBWGSFHURKW-UHFFFAOYSA-N 0 0 190.073 2.761 10 0 AFAERN CCCC(=O)C1CC(C)(C)C1 306765156 345600750 /nfs/dbraw/zinc/60/07/50/345600750.db2.gz HYCSTUSPLHVDGN-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1csc2nc(C3CCC3)cn12 306766525 345601353 /nfs/dbraw/zinc/60/13/53/345601353.db2.gz OEZQPTMYFDLQFX-UHFFFAOYSA-N 0 0 192.287 2.972 10 0 AFAERN C[C@@H]1CCCC[C@H]1[C@@H](N)C(F)(F)F 306768354 345602237 /nfs/dbraw/zinc/60/22/37/345602237.db2.gz PPMIVJKNQJCRBY-BWZBUEFSSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@@H]1CCCC[C@@H]1[C@H](N)C(F)(F)F 306768356 345602381 /nfs/dbraw/zinc/60/23/81/345602381.db2.gz PPMIVJKNQJCRBY-CSMHCCOUSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@@H]1CCCC[C@@H]1[C@@H](N)C(F)(F)F 306768357 345602414 /nfs/dbraw/zinc/60/24/14/345602414.db2.gz PPMIVJKNQJCRBY-GJMOJQLCSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@@H]1CCCC[C@H]1[C@H](N)C(F)(F)F 306768358 345602499 /nfs/dbraw/zinc/60/24/99/345602499.db2.gz PPMIVJKNQJCRBY-PRJMDXOYSA-N 0 0 195.228 2.702 10 0 AFAERN CNc1nc([C@H]2CC2(C)C)cs1 306768608 345602824 /nfs/dbraw/zinc/60/28/24/345602824.db2.gz DZDIAAFLTALTAW-ZCFIWIBFSA-N 0 0 182.292 2.698 10 0 AFAERN CNc1nc([C@@H]2CC2(C)C)cs1 306768607 345602992 /nfs/dbraw/zinc/60/29/92/345602992.db2.gz DZDIAAFLTALTAW-LURJTMIESA-N 0 0 182.292 2.698 10 0 AFAERN Oc1ccc(-c2ccsn2)cc1 306770767 345603893 /nfs/dbraw/zinc/60/38/93/345603893.db2.gz BALUUGGHMHNUHI-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN CC[C@@H](NO)c1ccc2[nH]ccc2c1 306771229 345604622 /nfs/dbraw/zinc/60/46/22/345604622.db2.gz RFTTVXCUDGPTTJ-SNVBAGLBSA-N 0 0 190.246 2.598 10 0 AFAERN Cc1cocc1C(=O)[C@@H]1CCSC1 306772373 345605147 /nfs/dbraw/zinc/60/51/47/345605147.db2.gz DLPLPKMIITWPNA-MRVPVSSYSA-N 0 0 196.271 2.524 10 0 AFAERN Cc1cocc1C(=O)[C@H]1CCSC1 306772374 345605264 /nfs/dbraw/zinc/60/52/64/345605264.db2.gz DLPLPKMIITWPNA-QMMMGPOBSA-N 0 0 196.271 2.524 10 0 AFAERN C[C@H]1CCC[C@@](O)(c2ccsn2)C1 306773424 345605542 /nfs/dbraw/zinc/60/55/42/345605542.db2.gz UJPAPDPVXKSFJN-WPRPVWTQSA-N 0 0 197.303 2.541 10 0 AFAERN C[C@@H]1CCC[C@](O)(c2ccsn2)C1 306773418 345605639 /nfs/dbraw/zinc/60/56/39/345605639.db2.gz UJPAPDPVXKSFJN-PSASIEDQSA-N 0 0 197.303 2.541 10 0 AFAERN C[C@@H]1CCC[C@@](O)(c2ccsn2)C1 306773420 345605690 /nfs/dbraw/zinc/60/56/90/345605690.db2.gz UJPAPDPVXKSFJN-SCZZXKLOSA-N 0 0 197.303 2.541 10 0 AFAERN C[C@H]1CCC[C@](O)(c2ccsn2)C1 306773422 345605803 /nfs/dbraw/zinc/60/58/03/345605803.db2.gz UJPAPDPVXKSFJN-WCBMZHEXSA-N 0 0 197.303 2.541 10 0 AFAERN CC[C@@H]1CCc2cnc(Cl)nc21 306774958 345606331 /nfs/dbraw/zinc/60/63/31/345606331.db2.gz WHHIFKNVFJBOJD-ZCFIWIBFSA-N 0 0 182.654 2.570 10 0 AFAERN CC[C@H]1CCc2cnc(Cl)nc21 306774957 345606399 /nfs/dbraw/zinc/60/63/99/345606399.db2.gz WHHIFKNVFJBOJD-LURJTMIESA-N 0 0 182.654 2.570 10 0 AFAERN CC(C)[C@H](C)c1nccc(Cl)n1 306778535 345608040 /nfs/dbraw/zinc/60/80/40/345608040.db2.gz QVPSUSWTDQPGJK-ZETCQYMHSA-N 0 0 184.670 2.890 10 0 AFAERN CC(C)[C@@H](C)c1nccc(Cl)n1 306778534 345608341 /nfs/dbraw/zinc/60/83/41/345608341.db2.gz QVPSUSWTDQPGJK-SSDOTTSWSA-N 0 0 184.670 2.890 10 0 AFAERN CCC(C)(C)c1nc(C)sc1N 306782466 345610725 /nfs/dbraw/zinc/61/07/25/345610725.db2.gz KDFOWPDMSDAIRJ-UHFFFAOYSA-N 0 0 184.308 2.721 10 0 AFAERN Cc1cc(C)c(O)c(OC(F)F)c1 306782038 345610780 /nfs/dbraw/zinc/61/07/80/345610780.db2.gz KBVYLMZVFGQDJM-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN Cc1ccc(S[C@@H]2CCCO2)nc1 306783358 345611311 /nfs/dbraw/zinc/61/13/11/345611311.db2.gz GNILJUJEOKFQOT-SNVBAGLBSA-N 0 0 195.287 2.619 10 0 AFAERN Cc1ccc(S[C@H]2CCCO2)nc1 306783355 345611507 /nfs/dbraw/zinc/61/15/07/345611507.db2.gz GNILJUJEOKFQOT-JTQLQIEISA-N 0 0 195.287 2.619 10 0 AFAERN CC1(C)CC(Nc2cccc(N)c2)C1 306784126 345611735 /nfs/dbraw/zinc/61/17/35/345611735.db2.gz LUUOMLQLFKGGCV-UHFFFAOYSA-N 0 0 190.290 2.869 10 0 AFAERN Cc1cc(F)cc(F)c1OC(F)F 306785360 345613187 /nfs/dbraw/zinc/61/31/87/345613187.db2.gz NNKHAGNMIQRNGI-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN Cc1cc(C(=O)[C@@]2(C)C[C@@H]2F)cs1 306788162 345614834 /nfs/dbraw/zinc/61/48/34/345614834.db2.gz WVNYDQLYBLDJFG-WPRPVWTQSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1cc(C(=O)[C@]2(C)C[C@@H]2F)cs1 306788161 345614951 /nfs/dbraw/zinc/61/49/51/345614951.db2.gz WVNYDQLYBLDJFG-WCBMZHEXSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1cc(C(=O)[C@@]2(C)C[C@H]2F)cs1 306788160 345614979 /nfs/dbraw/zinc/61/49/79/345614979.db2.gz WVNYDQLYBLDJFG-SCZZXKLOSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1cc(C(=O)[C@]2(C)C[C@H]2F)cs1 306788159 345614981 /nfs/dbraw/zinc/61/49/81/345614981.db2.gz WVNYDQLYBLDJFG-PSASIEDQSA-N 0 0 198.262 2.987 10 0 AFAERN CCC(CC)C1(O)CC(C)(C)C1 306791302 345617435 /nfs/dbraw/zinc/61/74/35/345617435.db2.gz XCKFWAVCQOKBFQ-UHFFFAOYSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@H](C)Nc1cnc(Cl)cn1 306792377 345618465 /nfs/dbraw/zinc/61/84/65/345618465.db2.gz AIPSVEYPSMHPSI-ZETCQYMHSA-N 0 0 199.685 2.586 10 0 AFAERN CC(C)[C@@H](C)Nc1cnc(Cl)cn1 306792373 345618531 /nfs/dbraw/zinc/61/85/31/345618531.db2.gz AIPSVEYPSMHPSI-SSDOTTSWSA-N 0 0 199.685 2.586 10 0 AFAERN COc1c(C(F)F)ccc(F)c1F 306792086 345618802 /nfs/dbraw/zinc/61/88/02/345618802.db2.gz ZXMAMVMIATULMW-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN Cc1cocc1[C@H](O)c1ccsc1 306795829 345620228 /nfs/dbraw/zinc/62/02/28/345620228.db2.gz GXRLDGIZUVDTLR-SNVBAGLBSA-N 0 0 194.255 2.731 10 0 AFAERN Cc1cnc(-c2cocc2C)c(N)c1 306795830 345620258 /nfs/dbraw/zinc/62/02/58/345620258.db2.gz GXSADUPHXVCPAO-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cocc1[C@@H](O)c1ccsc1 306795827 345620386 /nfs/dbraw/zinc/62/03/86/345620386.db2.gz GXRLDGIZUVDTLR-JTQLQIEISA-N 0 0 194.255 2.731 10 0 AFAERN CN(CC1CC1)c1ncccc1Cl 306798924 345622344 /nfs/dbraw/zinc/62/23/44/345622344.db2.gz MNJGZZWXXAYITI-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN Cc1ccc(O)c(C)c1OC(F)F 306799882 345622773 /nfs/dbraw/zinc/62/27/73/345622773.db2.gz HCPFJOTXAJDMNM-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN Cc1cc(-c2noc(N)c2C)cs1 306801089 345624054 /nfs/dbraw/zinc/62/40/54/345624054.db2.gz QIFLBGVBDLAFEO-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CC[C@@H]1CNc2cc(F)cnc2S1 306804058 345624864 /nfs/dbraw/zinc/62/48/64/345624864.db2.gz WVAUBTAPIGPKAU-SSDOTTSWSA-N 0 0 198.266 2.517 10 0 AFAERN CC[C@H]1CNc2cc(F)cnc2S1 306804059 345624905 /nfs/dbraw/zinc/62/49/05/345624905.db2.gz WVAUBTAPIGPKAU-ZETCQYMHSA-N 0 0 198.266 2.517 10 0 AFAERN COc1cc(Cl)c(F)cc1C 306803309 345624924 /nfs/dbraw/zinc/62/49/24/345624924.db2.gz ABPQVWGZTRQOQK-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN C=C/C=C/C[C@@H]1CCCCC1=O 306803568 345625043 /nfs/dbraw/zinc/62/50/43/345625043.db2.gz VXQRTHHOMHBQSN-HMDXOVGESA-N 0 0 164.248 2.878 10 0 AFAERN C=C/C=C/C[C@H]1CCCCC1=O 306803567 345625120 /nfs/dbraw/zinc/62/51/20/345625120.db2.gz VXQRTHHOMHBQSN-FSIBCCDJSA-N 0 0 164.248 2.878 10 0 AFAERN Cc1cocc1C(=O)C1(C)CC1 306806175 345626221 /nfs/dbraw/zinc/62/62/21/345626221.db2.gz IYARIIIFDQNPEO-UHFFFAOYSA-N 0 0 164.204 2.571 10 0 AFAERN Cc1cocc1C(=O)CC1CCC1 306806273 345626644 /nfs/dbraw/zinc/62/66/44/345626644.db2.gz JEUWRGQWHJCRJJ-UHFFFAOYSA-N 0 0 178.231 2.961 10 0 AFAERN Cc1cocc1[C@@]1(O)CCCC[C@H]1C 306806736 345626750 /nfs/dbraw/zinc/62/67/50/345626750.db2.gz KRYVAELENKPKFU-ZYHUDNBSSA-N 0 0 194.274 2.986 10 0 AFAERN Cc1cocc1[C@@]1(O)CCCC[C@@H]1C 306806733 345626816 /nfs/dbraw/zinc/62/68/16/345626816.db2.gz KRYVAELENKPKFU-CMPLNLGQSA-N 0 0 194.274 2.986 10 0 AFAERN CC(C)C[C@H]1C[C@H]1Nc1ccccn1 306806719 345626818 /nfs/dbraw/zinc/62/68/18/345626818.db2.gz KRCULCWDTRIOOJ-WDEREUQCSA-N 0 0 190.290 2.928 10 0 AFAERN Cc1cocc1[C@]1(O)CCCC[C@H]1C 306806735 345626866 /nfs/dbraw/zinc/62/68/66/345626866.db2.gz KRYVAELENKPKFU-PWSUYJOCSA-N 0 0 194.274 2.986 10 0 AFAERN CC(C)C[C@@H]1C[C@@H]1Nc1ccccn1 306806717 345626891 /nfs/dbraw/zinc/62/68/91/345626891.db2.gz KRCULCWDTRIOOJ-MNOVXSKESA-N 0 0 190.290 2.928 10 0 AFAERN CC(C)C[C@H]1C[C@@H]1Nc1ccccn1 306806718 345626924 /nfs/dbraw/zinc/62/69/24/345626924.db2.gz KRCULCWDTRIOOJ-QWRGUYRKSA-N 0 0 190.290 2.928 10 0 AFAERN Cc1cocc1-c1ccc(N)cc1 306807317 345627212 /nfs/dbraw/zinc/62/72/12/345627212.db2.gz LYMUNVOGCSJWHB-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Cc1cocc1[C@@H](O)[C@H](C)C(C)C 306807472 345627247 /nfs/dbraw/zinc/62/72/47/345627247.db2.gz MMFVBJSHIFPGDV-KOLCDFICSA-N 0 0 182.263 2.914 10 0 AFAERN Cc1cocc1-c1cccc(F)c1N 306807414 345627307 /nfs/dbraw/zinc/62/73/07/345627307.db2.gz MHHXPNXUYYEUJG-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1cocc1[C@H](O)[C@@H](C)C(C)C 306807471 345627351 /nfs/dbraw/zinc/62/73/51/345627351.db2.gz MMFVBJSHIFPGDV-GXSJLCMTSA-N 0 0 182.263 2.914 10 0 AFAERN Cc1cocc1[C@H](O)[C@H](C)C(C)C 306807473 345627528 /nfs/dbraw/zinc/62/75/28/345627528.db2.gz MMFVBJSHIFPGDV-MWLCHTKSSA-N 0 0 182.263 2.914 10 0 AFAERN Cc1cocc1[C@@H](O)[C@@H](C)C(C)C 306807474 345627545 /nfs/dbraw/zinc/62/75/45/345627545.db2.gz MMFVBJSHIFPGDV-ONGXEEELSA-N 0 0 182.263 2.914 10 0 AFAERN Cc1cocc1[C@H](O)[C@@H]1[C@H]2CCC[C@H]21 306808485 345627942 /nfs/dbraw/zinc/62/79/42/345627942.db2.gz PFSYKAHYDKELOH-SPFNVWMYSA-N 0 0 192.258 2.668 10 0 AFAERN Cc1cocc1[C@@H](O)[C@@H]1[C@H]2CCC[C@H]21 306808483 345628056 /nfs/dbraw/zinc/62/80/56/345628056.db2.gz PFSYKAHYDKELOH-LLHIFLOGSA-N 0 0 192.258 2.668 10 0 AFAERN Cc1cocc1[C@H](O)c1cccs1 306808778 345628201 /nfs/dbraw/zinc/62/82/01/345628201.db2.gz QATZFXHYGFPEKM-JTQLQIEISA-N 0 0 194.255 2.731 10 0 AFAERN Cc1cocc1[C@]1(O)CC[C@H](C)C1 306809291 345628238 /nfs/dbraw/zinc/62/82/38/345628238.db2.gz RMUGENFNSCYXMJ-KWQFWETISA-N 0 0 180.247 2.596 10 0 AFAERN Cc1cocc1[C@@H](O)c1cccs1 306808779 345628425 /nfs/dbraw/zinc/62/84/25/345628425.db2.gz QATZFXHYGFPEKM-SNVBAGLBSA-N 0 0 194.255 2.731 10 0 AFAERN Cc1cocc1[C@@]1(O)CC[C@H](C)C1 306809289 345628491 /nfs/dbraw/zinc/62/84/91/345628491.db2.gz RMUGENFNSCYXMJ-GZMMTYOYSA-N 0 0 180.247 2.596 10 0 AFAERN Cc1cocc1[C@]1(O)CC[C@@H](C)C1 306809290 345628493 /nfs/dbraw/zinc/62/84/93/345628493.db2.gz RMUGENFNSCYXMJ-KCJUWKMLSA-N 0 0 180.247 2.596 10 0 AFAERN Cc1cocc1[C@@]1(O)CC[C@@H](C)C1 306809292 345628559 /nfs/dbraw/zinc/62/85/59/345628559.db2.gz RMUGENFNSCYXMJ-LDYMZIIASA-N 0 0 180.247 2.596 10 0 AFAERN C[C@H]([C@@H]1CC1(C)C)n1cc[nH]c1=S 306809573 345628873 /nfs/dbraw/zinc/62/88/73/345628873.db2.gz AFYFGKVGDQUTRP-SFYZADRCSA-N 0 0 196.319 2.779 10 0 AFAERN C[C@@H]([C@H]1CC1(C)C)n1cc[nH]c1=S 306809572 345628892 /nfs/dbraw/zinc/62/88/92/345628892.db2.gz AFYFGKVGDQUTRP-JGVFFNPUSA-N 0 0 196.319 2.779 10 0 AFAERN Cc1cocc1[C@H](O)[C@H]1CC=CCC1 306809419 345628899 /nfs/dbraw/zinc/62/88/99/345628899.db2.gz RYLZTOQMVNJLDG-CMPLNLGQSA-N 0 0 192.258 2.978 10 0 AFAERN Cc1cocc1[C@H](O)[C@@H]1CC=CCC1 306809422 345628935 /nfs/dbraw/zinc/62/89/35/345628935.db2.gz RYLZTOQMVNJLDG-ZYHUDNBSSA-N 0 0 192.258 2.978 10 0 AFAERN Cc1cocc1[C@@H](O)[C@@H]1CC=CCC1 306809421 345629065 /nfs/dbraw/zinc/62/90/65/345629065.db2.gz RYLZTOQMVNJLDG-PWSUYJOCSA-N 0 0 192.258 2.978 10 0 AFAERN C[C@@H]([C@@H]1CC1(C)C)n1cc[nH]c1=S 306809574 345629069 /nfs/dbraw/zinc/62/90/69/345629069.db2.gz AFYFGKVGDQUTRP-YUMQZZPRSA-N 0 0 196.319 2.779 10 0 AFAERN C[C@H]([C@H]1CC1(C)C)n1cc[nH]c1=S 306809571 345629205 /nfs/dbraw/zinc/62/92/05/345629205.db2.gz AFYFGKVGDQUTRP-HTQZYQBOSA-N 0 0 196.319 2.779 10 0 AFAERN Cc1cocc1[C@@H](O)[C@H]1CC=CCC1 306809420 345629224 /nfs/dbraw/zinc/62/92/24/345629224.db2.gz RYLZTOQMVNJLDG-JQWIXIFHSA-N 0 0 192.258 2.978 10 0 AFAERN Cc1cocc1-c1ccc(N)c(F)c1 306810164 345629618 /nfs/dbraw/zinc/62/96/18/345629618.db2.gz SYAWXPMCZTZKEZ-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1cocc1[C@](C)(O)CC1CCC1 306811467 345630256 /nfs/dbraw/zinc/63/02/56/345630256.db2.gz WZSSLWDGVSAPMA-GFCCVEGCSA-N 0 0 194.274 2.986 10 0 AFAERN Cc1cocc1-c1ccoc1C=O 306811416 345630298 /nfs/dbraw/zinc/63/02/98/345630298.db2.gz WTRAXHWGJYXDFG-UHFFFAOYSA-N 0 0 176.171 2.661 10 0 AFAERN Cc1cocc1[C@@](C)(O)CC1CCC1 306811468 345630547 /nfs/dbraw/zinc/63/05/47/345630547.db2.gz WZSSLWDGVSAPMA-LBPRGKRZSA-N 0 0 194.274 2.986 10 0 AFAERN Cc1cocc1C(=O)c1cccs1 306811952 345630894 /nfs/dbraw/zinc/63/08/94/345630894.db2.gz XYMFKUDLAOFIBL-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN COC(C)(C)CNc1cccc(F)c1 306812483 345630896 /nfs/dbraw/zinc/63/08/96/345630896.db2.gz ZKCNRLCYJMTKJS-UHFFFAOYSA-N 0 0 197.253 2.663 10 0 AFAERN Cc1cocc1-c1cc(N)ccc1F 306812216 345630901 /nfs/dbraw/zinc/63/09/01/345630901.db2.gz YQRLVRFYWSKLFS-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1cscc1NCc1cnco1 306813319 345631088 /nfs/dbraw/zinc/63/10/88/345631088.db2.gz AKKIRASBTQLFGB-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN C[C@@H](O)CCC1(C)CCCC1 306812905 345631166 /nfs/dbraw/zinc/63/11/66/345631166.db2.gz BFVLWBNOTIPUEM-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@H](O)CCC1(C)CCCC1 306812906 345631224 /nfs/dbraw/zinc/63/12/24/345631224.db2.gz BFVLWBNOTIPUEM-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN Cc1csc(N[C@H](C)C(F)F)n1 306813335 345631264 /nfs/dbraw/zinc/63/12/64/345631264.db2.gz ALAHSLWMPWNKLB-RXMQYKEDSA-N 0 0 192.234 2.517 10 0 AFAERN Cc1csc(N[C@@H](C)C(F)F)n1 306813340 345631462 /nfs/dbraw/zinc/63/14/62/345631462.db2.gz ALAHSLWMPWNKLB-YFKPBYRVSA-N 0 0 192.234 2.517 10 0 AFAERN CC[C@@H](C)C(=O)c1cc(C)cc(C)n1 306813829 345631666 /nfs/dbraw/zinc/63/16/66/345631666.db2.gz CEDMMUFHSAAROO-SECBINFHSA-N 0 0 191.274 2.927 10 0 AFAERN C[C@@H](O)c1ccc(C(F)(F)F)s1 306813941 345631728 /nfs/dbraw/zinc/63/17/28/345631728.db2.gz ANELLFPXFCCHJH-SCSAIBSYSA-N 0 0 196.193 2.820 10 0 AFAERN C[C@H](O)c1ccc(C(F)(F)F)s1 306813933 345631801 /nfs/dbraw/zinc/63/18/01/345631801.db2.gz ANELLFPXFCCHJH-BYPYZUCNSA-N 0 0 196.193 2.820 10 0 AFAERN CC[C@H](C)C(=O)c1cc(C)cc(C)n1 306813838 345631874 /nfs/dbraw/zinc/63/18/74/345631874.db2.gz CEDMMUFHSAAROO-VIFPVBQESA-N 0 0 191.274 2.927 10 0 AFAERN Fc1c[nH]c(=S)cc1C(F)(F)F 306815348 345632297 /nfs/dbraw/zinc/63/22/97/345632297.db2.gz BEXVQEBMLVYVDE-UHFFFAOYSA-N 0 0 197.156 2.528 10 0 AFAERN C[C@H]1CC[C@H](C(=O)c2cscn2)C1 306815847 345632771 /nfs/dbraw/zinc/63/27/71/345632771.db2.gz BCJJBAGMXGNOQU-YUMQZZPRSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)c2cscn2)C1 306815843 345632980 /nfs/dbraw/zinc/63/29/80/345632980.db2.gz BCJJBAGMXGNOQU-HTQZYQBOSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)c2cscn2)C1 306815844 345632991 /nfs/dbraw/zinc/63/29/91/345632991.db2.gz BCJJBAGMXGNOQU-JGVFFNPUSA-N 0 0 195.287 2.762 10 0 AFAERN CC(C)[C@H](C)Sc1ncc[nH]1 306817862 345633284 /nfs/dbraw/zinc/63/32/84/345633284.db2.gz BRSSGBQFBPQPNZ-ZETCQYMHSA-N 0 0 170.281 2.546 10 0 AFAERN FCOc1cc(F)c(F)cc1Cl 306817520 345633290 /nfs/dbraw/zinc/63/32/90/345633290.db2.gz DNYXKEQWIFIOGV-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN CC(C)[C@@H](C)Sc1ncc[nH]1 306817861 345633473 /nfs/dbraw/zinc/63/34/73/345633473.db2.gz BRSSGBQFBPQPNZ-SSDOTTSWSA-N 0 0 170.281 2.546 10 0 AFAERN Fc1[nH]ccc(=S)c1C(F)(F)F 306817987 345633577 /nfs/dbraw/zinc/63/35/77/345633577.db2.gz CUALBQPMHGZDRF-UHFFFAOYSA-N 0 0 197.156 2.528 10 0 AFAERN COc1ccc(F)c(C(F)F)c1F 306818324 345633707 /nfs/dbraw/zinc/63/37/07/345633707.db2.gz JXJIYOJCIBEVRP-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN CC(C)CN(C)c1cccc(F)c1 306818355 345633895 /nfs/dbraw/zinc/63/38/95/345633895.db2.gz FJEIULVLQGRNGI-UHFFFAOYSA-N 0 0 181.254 2.918 10 0 AFAERN CC(C)(C)C[C@@]1(C)CC(=O)CCO1 306818779 345634031 /nfs/dbraw/zinc/63/40/31/345634031.db2.gz CGHCROWPIFUWGJ-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN COc1cc(F)c(F)c(CF)c1F 306818644 345634051 /nfs/dbraw/zinc/63/40/51/345634051.db2.gz JZFKZSYOUQXXKV-UHFFFAOYSA-N 0 0 194.127 2.582 10 0 AFAERN Cc1cc(N)c(NC2(C)CC2)cc1C 306818901 345634244 /nfs/dbraw/zinc/63/42/44/345634244.db2.gz GCVMWDWZJGARPG-UHFFFAOYSA-N 0 0 190.290 2.850 10 0 AFAERN CC(C)N(O)Cc1ccccc1Cl 306819735 345634887 /nfs/dbraw/zinc/63/48/87/345634887.db2.gz HRZWPDHWRAEORJ-UHFFFAOYSA-N 0 0 199.681 2.940 10 0 AFAERN C[C@H]1CC[C@H](O)[C@@]2(C)CC=CC=C12 306819771 345634896 /nfs/dbraw/zinc/63/48/96/345634896.db2.gz DAVPFAACOVYACG-DLOVCJGASA-N 0 0 178.275 2.670 10 0 AFAERN CC1CC(OC(=O)c2cccs2)C1 306819991 345634930 /nfs/dbraw/zinc/63/49/30/345634930.db2.gz IBLKTQMEIQMGBN-UHFFFAOYSA-N 0 0 196.271 2.703 10 0 AFAERN C[C@@](O)(c1ccc[nH]1)C1CCCCC1 306820684 345635728 /nfs/dbraw/zinc/63/57/28/345635728.db2.gz JHBCLESKWIAIGD-LBPRGKRZSA-N 0 0 193.290 2.803 10 0 AFAERN C[C@](O)(c1ccc[nH]1)C1CCCCC1 306820682 345635895 /nfs/dbraw/zinc/63/58/95/345635895.db2.gz JHBCLESKWIAIGD-GFCCVEGCSA-N 0 0 193.290 2.803 10 0 AFAERN CC1(C)CCC(O)(c2ccc[nH]2)CC1 306821822 345636463 /nfs/dbraw/zinc/63/64/63/345636463.db2.gz LDVCNXSLQSWKGW-UHFFFAOYSA-N 0 0 193.290 2.803 10 0 AFAERN C[C@H](N1CCC(F)(F)C1)C1(C)CC1 306822104 345636675 /nfs/dbraw/zinc/63/66/75/345636675.db2.gz MSMPSJLPHQWAGA-QMMMGPOBSA-N 0 0 189.249 2.516 10 0 AFAERN C[C@@H](N1CCC(F)(F)C1)C1(C)CC1 306822103 345636968 /nfs/dbraw/zinc/63/69/68/345636968.db2.gz MSMPSJLPHQWAGA-MRVPVSSYSA-N 0 0 189.249 2.516 10 0 AFAERN Cc1cc(N)c(NCC2CC2)cc1C 306822264 345637120 /nfs/dbraw/zinc/63/71/20/345637120.db2.gz MUJPQPVJGFXYCR-UHFFFAOYSA-N 0 0 190.290 2.708 10 0 AFAERN Nc1cccc(F)c1NCCC1CC1 306823198 345637724 /nfs/dbraw/zinc/63/77/24/345637724.db2.gz PFQANGXBFXECMU-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN Cc1c(C(C(C)C)C(C)C)noc1N 306824150 345638874 /nfs/dbraw/zinc/63/88/74/345638874.db2.gz SPHRMUUCPKTNRK-UHFFFAOYSA-N 0 0 196.294 2.961 10 0 AFAERN C[C@H]1CC(C)(C)C[C@]1(O)c1ccc[nH]1 306824493 345638900 /nfs/dbraw/zinc/63/89/00/345638900.db2.gz ULARAGRKQPDUJZ-JOYOIKCWSA-N 0 0 193.290 2.658 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@]1(O)c1ccc[nH]1 306824491 345638920 /nfs/dbraw/zinc/63/89/20/345638920.db2.gz ULARAGRKQPDUJZ-BXKDBHETSA-N 0 0 193.290 2.658 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@]1(O)c1ccc[nH]1 306824492 345638972 /nfs/dbraw/zinc/63/89/72/345638972.db2.gz ULARAGRKQPDUJZ-CABZTGNLSA-N 0 0 193.290 2.658 10 0 AFAERN CC(C)CNc1noc2ccccc12 306826045 345640471 /nfs/dbraw/zinc/64/04/71/345640471.db2.gz YTSWAVODQPVBLL-UHFFFAOYSA-N 0 0 190.246 2.896 10 0 AFAERN CC(C)(C)Nc1cccc2nccn12 306826192 345640531 /nfs/dbraw/zinc/64/05/31/345640531.db2.gz ZBJTUOYVSGELBK-UHFFFAOYSA-N 0 0 189.262 2.545 10 0 AFAERN Cc1cc(=O)[nH]c([C@H](C)C(C)(C)C)n1 306826198 345640579 /nfs/dbraw/zinc/64/05/79/345640579.db2.gz ZCAPDZLQHNYPDH-QMMMGPOBSA-N 0 0 194.278 2.640 10 0 AFAERN Cc1cc(=O)[nH]c([C@@H](C)C(C)(C)C)n1 306826197 345640893 /nfs/dbraw/zinc/64/08/93/345640893.db2.gz ZCAPDZLQHNYPDH-MRVPVSSYSA-N 0 0 194.278 2.640 10 0 AFAERN Clc1sccc1NC1CC1 306829846 345643182 /nfs/dbraw/zinc/64/31/82/345643182.db2.gz KMUNHYBTGGREEC-UHFFFAOYSA-N 0 0 173.668 2.976 10 0 AFAERN Cc1cscc1NCC1(C)COC1 306830478 345643860 /nfs/dbraw/zinc/64/38/60/345643860.db2.gz LIEVYCNPXKKWGM-UHFFFAOYSA-N 0 0 197.303 2.505 10 0 AFAERN FCCNc1ccsc1Cl 306830474 345644055 /nfs/dbraw/zinc/64/40/55/345644055.db2.gz LHFVDIHDJXWGSS-UHFFFAOYSA-N 0 0 179.647 2.783 10 0 AFAERN Cc1cocc1C(=O)C(F)(F)Cl 306830060 345644329 /nfs/dbraw/zinc/64/43/29/345644329.db2.gz KWFZNVKECPJRKV-UHFFFAOYSA-N 0 0 194.564 2.602 10 0 AFAERN Cc1ccc(F)c(F)c1OC(F)F 306832355 345645142 /nfs/dbraw/zinc/64/51/42/345645142.db2.gz LVCBBPXMPOYPGO-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN Clc1cnc(-c2ccsc2)cn1 306832032 345645263 /nfs/dbraw/zinc/64/52/63/345645263.db2.gz LMYDSHXLRWSDIH-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN CC(=O)c1ccsc1C(F)(F)F 306832085 345645462 /nfs/dbraw/zinc/64/54/62/345645462.db2.gz NQFWKJUIAMXYSU-UHFFFAOYSA-N 0 0 194.177 2.970 10 0 AFAERN C[C@H](c1nc(Cl)no1)C(C)(C)C 306834356 345646350 /nfs/dbraw/zinc/64/63/50/345646350.db2.gz PRGDSABCJAGCCC-RXMQYKEDSA-N 0 0 188.658 2.873 10 0 AFAERN C[C@@H](c1nc(Cl)no1)C(C)(C)C 306834357 345646529 /nfs/dbraw/zinc/64/65/29/345646529.db2.gz PRGDSABCJAGCCC-YFKPBYRVSA-N 0 0 188.658 2.873 10 0 AFAERN Cc1c(Cl)ccc2c1NCCCN2 306833690 345646607 /nfs/dbraw/zinc/64/66/07/345646607.db2.gz QCMFFPACSUBWKJ-UHFFFAOYSA-N 0 0 196.681 2.876 10 0 AFAERN CCC(C)(C)c1nccnc1Cl 306836638 345647810 /nfs/dbraw/zinc/64/78/10/345647810.db2.gz UZCOOUIJFSULTH-UHFFFAOYSA-N 0 0 184.670 2.818 10 0 AFAERN N[C@@]1(C(F)(F)F)CCCC12CCC2 306840080 345649622 /nfs/dbraw/zinc/64/96/22/345649622.db2.gz AAVDGISSIJOGMW-QMMMGPOBSA-N 0 0 193.212 2.600 10 0 AFAERN N[C@]1(C(F)(F)F)CCCC12CCC2 306840079 345649984 /nfs/dbraw/zinc/64/99/84/345649984.db2.gz AAVDGISSIJOGMW-MRVPVSSYSA-N 0 0 193.212 2.600 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc(Cl)ns1 306840677 345650292 /nfs/dbraw/zinc/65/02/92/345650292.db2.gz ACBOZIRXKHABCM-RFZPGFLSSA-N 0 0 188.683 2.705 10 0 AFAERN Cc1ccsc1C(=O)[C@]1(C)C[C@@H]1F 306840902 345650422 /nfs/dbraw/zinc/65/04/22/345650422.db2.gz AUULVGJTJSXGNG-OIBJUYFYSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1ccc(O)cc1-c1cscn1 306840595 345650440 /nfs/dbraw/zinc/65/04/40/345650440.db2.gz ZYQPLMBNQWCHMO-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ccsc1C(=O)[C@@]1(C)C[C@@H]1F 306840909 345650466 /nfs/dbraw/zinc/65/04/66/345650466.db2.gz AUULVGJTJSXGNG-XVKPBYJWSA-N 0 0 198.262 2.987 10 0 AFAERN CC(=O)c1c(C)cc(Cl)cc1F 306840594 345650517 /nfs/dbraw/zinc/65/05/17/345650517.db2.gz ZYLPIGYUYXCYSY-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN Cc1ccsc1C(=O)[C@@]1(C)C[C@H]1F 306840907 345650571 /nfs/dbraw/zinc/65/05/71/345650571.db2.gz AUULVGJTJSXGNG-XCBNKYQSSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1ccsc1C(=O)[C@]1(C)C[C@H]1F 306840898 345650573 /nfs/dbraw/zinc/65/05/73/345650573.db2.gz AUULVGJTJSXGNG-GMSGAONNSA-N 0 0 198.262 2.987 10 0 AFAERN CCCCNc1ncc(C)s1 306841429 345650786 /nfs/dbraw/zinc/65/07/86/345650786.db2.gz BMEXGKPFBLACBJ-UHFFFAOYSA-N 0 0 170.281 2.664 10 0 AFAERN Cc1scc(-c2cc(N)no2)c1C 306841678 345650891 /nfs/dbraw/zinc/65/08/91/345650891.db2.gz BNRVJVWHACANDW-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCOc1ccc(F)c(C)c1C 306846009 345653512 /nfs/dbraw/zinc/65/35/12/345653512.db2.gz HWXABBRREUSLQE-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN CCC1(Nc2ccc(C)cn2)CC1 306846383 345654006 /nfs/dbraw/zinc/65/40/06/345654006.db2.gz JXNIQCDKSPLLGW-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN C/C=C/CNc1cc(C(C)C)ncn1 306846398 345654300 /nfs/dbraw/zinc/65/43/00/345654300.db2.gz JYQWWXPILLTUTE-SNAWJCMRSA-N 0 0 191.278 2.588 10 0 AFAERN C[C@@H]1CCC[C@H]1c1ncc(C[NH3+])s1 306849371 345656025 /nfs/dbraw/zinc/65/60/25/345656025.db2.gz NTWLUIVWNXDBBM-VXNVDRBHSA-N 0 0 196.319 2.505 10 0 AFAERN C[C@H]1CCC[C@@H]1c1ncc(C[NH3+])s1 306849369 345656125 /nfs/dbraw/zinc/65/61/25/345656125.db2.gz NTWLUIVWNXDBBM-CBAPKCEASA-N 0 0 196.319 2.505 10 0 AFAERN C[C@H]1CCC[C@H]1c1ncc(C[NH3+])s1 306849370 345656224 /nfs/dbraw/zinc/65/62/24/345656224.db2.gz NTWLUIVWNXDBBM-IONNQARKSA-N 0 0 196.319 2.505 10 0 AFAERN C/C=C/CNc1ccc(C)cc1N 306849526 345656243 /nfs/dbraw/zinc/65/62/43/345656243.db2.gz NXANPLJVGCPPLJ-ONEGZZNKSA-N 0 0 176.263 2.565 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1ncc(C[NH3+])s1 306849368 345656310 /nfs/dbraw/zinc/65/63/10/345656310.db2.gz NTWLUIVWNXDBBM-APPZFPTMSA-N 0 0 196.319 2.505 10 0 AFAERN Cc1nn([C@@H](C)C(C)(C)C)c(N)c1C 306850083 345656519 /nfs/dbraw/zinc/65/65/19/345656519.db2.gz OEQIYFJJNFEVJG-VIFPVBQESA-N 0 0 195.310 2.689 10 0 AFAERN Cc1nn([C@H](C)C(C)(C)C)c(N)c1C 306850082 345656564 /nfs/dbraw/zinc/65/65/64/345656564.db2.gz OEQIYFJJNFEVJG-SECBINFHSA-N 0 0 195.310 2.689 10 0 AFAERN Cc1cocc1C(=O)c1ccsc1 306851096 345657256 /nfs/dbraw/zinc/65/72/56/345657256.db2.gz QDZPTLWEINBCJE-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN C[C@H](CC(F)F)Nc1nccs1 306852372 345657718 /nfs/dbraw/zinc/65/77/18/345657718.db2.gz RTUPEZSHJLDNPS-RXMQYKEDSA-N 0 0 192.234 2.599 10 0 AFAERN C[C@@H](CC(F)F)Nc1nccs1 306852378 345657775 /nfs/dbraw/zinc/65/77/75/345657775.db2.gz RTUPEZSHJLDNPS-YFKPBYRVSA-N 0 0 192.234 2.599 10 0 AFAERN CC(=O)c1cc(F)cc(C)c1C 306852368 345657813 /nfs/dbraw/zinc/65/78/13/345657813.db2.gz SAVVHQUQTKZOQG-UHFFFAOYSA-N 0 0 166.195 2.645 10 0 AFAERN Cc1cocc1C(=O)[C@H]1CCCS1 306853565 345658639 /nfs/dbraw/zinc/65/86/39/345658639.db2.gz UBFXNXMTEDAFKB-SECBINFHSA-N 0 0 196.271 2.666 10 0 AFAERN C[C@H]1CCC[C@@H]1c1noc(Cl)n1 306854865 345659762 /nfs/dbraw/zinc/65/97/62/345659762.db2.gz BBQAZXVLPXPVAG-WDSKDSINSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1noc(Cl)n1 306854864 345659526 /nfs/dbraw/zinc/65/95/26/345659526.db2.gz BBQAZXVLPXPVAG-RITPCOANSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@H]1CCC[C@H]1c1noc(Cl)n1 306854862 345659623 /nfs/dbraw/zinc/65/96/23/345659623.db2.gz BBQAZXVLPXPVAG-NTSWFWBYSA-N 0 0 186.642 2.627 10 0 AFAERN C[C@@H]1CCC[C@H]1c1noc(Cl)n1 306854863 345659705 /nfs/dbraw/zinc/65/97/05/345659705.db2.gz BBQAZXVLPXPVAG-PHDIDXHHSA-N 0 0 186.642 2.627 10 0 AFAERN Cc1cc(-c2ccns2)ccc1N 306855364 345659791 /nfs/dbraw/zinc/65/97/91/345659791.db2.gz WKCFJPRILUTHAB-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cocc1[C@H]1CCC(=O)[C@H]1C 306857546 345660747 /nfs/dbraw/zinc/66/07/47/345660747.db2.gz YQHLBQIAZLBRGN-IUCAKERBSA-N 0 0 178.231 2.671 10 0 AFAERN Cc1cocc1[C@H]1CCC(=O)[C@@H]1C 306857544 345660814 /nfs/dbraw/zinc/66/08/14/345660814.db2.gz YQHLBQIAZLBRGN-BDAKNGLRSA-N 0 0 178.231 2.671 10 0 AFAERN Cc1cocc1[C@@H]1CCC(=O)[C@@H]1C 306857547 345660838 /nfs/dbraw/zinc/66/08/38/345660838.db2.gz YQHLBQIAZLBRGN-RKDXNWHRSA-N 0 0 178.231 2.671 10 0 AFAERN Cc1cocc1[C@@H]1CCC(=O)[C@H]1C 306857545 345661046 /nfs/dbraw/zinc/66/10/46/345661046.db2.gz YQHLBQIAZLBRGN-DTWKUNHWSA-N 0 0 178.231 2.671 10 0 AFAERN C/C=C/CNc1nc(C(C)C)ns1 306858938 345662442 /nfs/dbraw/zinc/66/24/42/345662442.db2.gz BIOCGGNDEYQEOZ-SNAWJCMRSA-N 0 0 197.307 2.650 10 0 AFAERN OC1(c2ccc3sccc3c2)CC1 306860171 345663684 /nfs/dbraw/zinc/66/36/84/345663684.db2.gz DNVZDMVYCAHKIB-UHFFFAOYSA-N 0 0 190.267 2.883 10 0 AFAERN FCCN1CCc2cc(Cl)ccc21 306862044 345665145 /nfs/dbraw/zinc/66/51/45/345665145.db2.gz FYQOAOHUIACRMM-UHFFFAOYSA-N 0 0 199.656 2.672 10 0 AFAERN CC1(C)C[C@@H]1c1n[nH]cc1Cl 306862551 345665562 /nfs/dbraw/zinc/66/55/62/345665562.db2.gz IOZJBIVWBPFKFA-RXMQYKEDSA-N 0 0 170.643 2.577 10 0 AFAERN CC1(C)C[C@H]1c1n[nH]cc1Cl 306862553 345665812 /nfs/dbraw/zinc/66/58/12/345665812.db2.gz IOZJBIVWBPFKFA-YFKPBYRVSA-N 0 0 170.643 2.577 10 0 AFAERN FC(F)c1ccc(NCC2CC2)nc1 306863637 345666265 /nfs/dbraw/zinc/66/62/65/345666265.db2.gz KIUQQBJAOJMSLX-UHFFFAOYSA-N 0 0 198.216 2.841 10 0 AFAERN CC1(C[C@@H](O)C(C)(C)C)CC1 306864662 345666984 /nfs/dbraw/zinc/66/69/84/345666984.db2.gz KUTKVQRZDYDWOT-MRVPVSSYSA-N 0 0 156.269 2.584 10 0 AFAERN CC1(C[C@H](O)C(C)(C)C)CC1 306864663 345667067 /nfs/dbraw/zinc/66/70/67/345667067.db2.gz KUTKVQRZDYDWOT-QMMMGPOBSA-N 0 0 156.269 2.584 10 0 AFAERN O=Cc1ccc(-c2ccns2)cc1 306866922 345668585 /nfs/dbraw/zinc/66/85/85/345668585.db2.gz OSGXQMFMDCIKKA-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN Cc1cc(C(=O)c2cc[nH]c2)cs1 306870633 345670595 /nfs/dbraw/zinc/67/05/95/345670595.db2.gz TZIYHISKVPFXFZ-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN Cc1cocc1C(=O)C1CCC1 306872484 345671111 /nfs/dbraw/zinc/67/11/11/345671111.db2.gz VIVSBLHMQYYVPL-UHFFFAOYSA-N 0 0 164.204 2.571 10 0 AFAERN Clc1cccc(-c2ccns2)n1 306871960 345671157 /nfs/dbraw/zinc/67/11/57/345671157.db2.gz YTZOQAWSMMAMLJ-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN C/C=C/CNc1nc(CC)cs1 306874440 345672653 /nfs/dbraw/zinc/67/26/53/345672653.db2.gz ZXJUQIRVLCNRHL-HWKANZROSA-N 0 0 182.292 2.694 10 0 AFAERN FC(F)(F)CN1CCCCCCC1 306875266 345672863 /nfs/dbraw/zinc/67/28/63/345672863.db2.gz GTVKPHQMZDOOSO-UHFFFAOYSA-N 0 0 195.228 2.815 10 0 AFAERN CC(=O)c1nc(C2=CCCC2)cs1 306876177 345673587 /nfs/dbraw/zinc/67/35/87/345673587.db2.gz CPPPFFQFHGZJEH-UHFFFAOYSA-N 0 0 193.271 2.913 10 0 AFAERN Oc1ccc(OCC2=CCCC2)cc1 306878087 345674862 /nfs/dbraw/zinc/67/48/62/345674862.db2.gz CRZKHEKTZRCKOG-UHFFFAOYSA-N 0 0 190.242 2.881 10 0 AFAERN CC1(CC(=O)C2CCC2)CC1 306878970 345675506 /nfs/dbraw/zinc/67/55/06/345675506.db2.gz DMYYLIWGQYRADS-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ccc(O)cc1-c1ccns1 306878732 345675656 /nfs/dbraw/zinc/67/56/56/345675656.db2.gz DGQRHJICMNOIKC-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CSC[C@@H]1OCCc2ccccc21 306879980 345676804 /nfs/dbraw/zinc/67/68/04/345676804.db2.gz KIIWUJYVJWKPKS-NSHDSACASA-N 0 0 194.299 2.663 10 0 AFAERN CSC[C@H]1OCCc2ccccc21 306879978 345677153 /nfs/dbraw/zinc/67/71/53/345677153.db2.gz KIIWUJYVJWKPKS-LLVKDONJSA-N 0 0 194.299 2.663 10 0 AFAERN Cc1cnn([C@H]2CCCC2(C)C)c1 306881219 345677484 /nfs/dbraw/zinc/67/74/84/345677484.db2.gz LUTMYTJPEHYKBG-JTQLQIEISA-N 0 0 178.279 2.943 10 0 AFAERN Cc1cnn([C@@H]2CCCC2(C)C)c1 306881220 345677564 /nfs/dbraw/zinc/67/75/64/345677564.db2.gz LUTMYTJPEHYKBG-SNVBAGLBSA-N 0 0 178.279 2.943 10 0 AFAERN CCSCCC(C)(C)OC 306881519 345678363 /nfs/dbraw/zinc/67/83/63/345678363.db2.gz MBKVJJJEYFHURV-UHFFFAOYSA-N 0 0 162.298 2.555 10 0 AFAERN CC[C@]1(C)C[C@@H]1n1cc(C)[nH]c1=S 306884885 345681073 /nfs/dbraw/zinc/68/10/73/345681073.db2.gz MMXKMNKVZIQZHZ-WCBMZHEXSA-N 0 0 196.319 2.841 10 0 AFAERN CC[C@@]1(C)C[C@H]1n1cc(C)[nH]c1=S 306884878 345681203 /nfs/dbraw/zinc/68/12/03/345681203.db2.gz MMXKMNKVZIQZHZ-SCZZXKLOSA-N 0 0 196.319 2.841 10 0 AFAERN CC[C@@]1(C)C[C@@H]1n1cc(C)[nH]c1=S 306884890 345681238 /nfs/dbraw/zinc/68/12/38/345681238.db2.gz MMXKMNKVZIQZHZ-WPRPVWTQSA-N 0 0 196.319 2.841 10 0 AFAERN CC[C@]1(C)C[C@H]1n1cc(C)[nH]c1=S 306884871 345681442 /nfs/dbraw/zinc/68/14/42/345681442.db2.gz MMXKMNKVZIQZHZ-PSASIEDQSA-N 0 0 196.319 2.841 10 0 AFAERN FC(F)CN[C@H]1CC12CCCCC2 306886622 345683089 /nfs/dbraw/zinc/68/30/89/345683089.db2.gz STHAQYVTWCHSEC-QMMMGPOBSA-N 0 0 189.249 2.564 10 0 AFAERN CC1(CC(=O)C2CCC2)CCC1 306887130 345683427 /nfs/dbraw/zinc/68/34/27/345683427.db2.gz TZJPVWKKNFDKDY-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN FC(F)CN[C@@H]1CC12CCCCC2 306886621 345683453 /nfs/dbraw/zinc/68/34/53/345683453.db2.gz STHAQYVTWCHSEC-MRVPVSSYSA-N 0 0 189.249 2.564 10 0 AFAERN C[C@@H]1C[C@](O)(CCC(F)(F)F)[C@@H]1C 306887402 345683667 /nfs/dbraw/zinc/68/36/67/345683667.db2.gz UIVLWCKXUYHAJN-BWZBUEFSSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H]1[C@H](C)C[C@]1(O)CCC(F)(F)F 306887404 345683925 /nfs/dbraw/zinc/68/39/25/345683925.db2.gz UIVLWCKXUYHAJN-GJMOJQLCSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@@H]1C[C@@](O)(CCC(F)(F)F)[C@@H]1C 306887405 345684004 /nfs/dbraw/zinc/68/40/04/345684004.db2.gz UIVLWCKXUYHAJN-PRJMDXOYSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H]1[C@H](C)C[C@@]1(O)CCC(F)(F)F 306887403 345684033 /nfs/dbraw/zinc/68/40/33/345684033.db2.gz UIVLWCKXUYHAJN-CSMHCCOUSA-N 0 0 196.212 2.736 10 0 AFAERN Cc1cc(F)c(C)c2c1CCC[C@H]2O 306887838 345684784 /nfs/dbraw/zinc/68/47/84/345684784.db2.gz UYWLYAOKWYFXNQ-LLVKDONJSA-N 0 0 194.249 2.812 10 0 AFAERN Cc1cc(F)c(C)c2c1CCC[C@@H]2O 306887839 345684952 /nfs/dbraw/zinc/68/49/52/345684952.db2.gz UYWLYAOKWYFXNQ-NSHDSACASA-N 0 0 194.249 2.812 10 0 AFAERN Fc1[nH]c(=S)ccc1C(F)(F)F 306892870 345688116 /nfs/dbraw/zinc/68/81/16/345688116.db2.gz IYQUWKVJQBIAEQ-UHFFFAOYSA-N 0 0 197.156 2.528 10 0 AFAERN C[C@@H](Nc1nccs1)C(F)(F)F 306892498 345688303 /nfs/dbraw/zinc/68/83/03/345688303.db2.gz HEBPKGQRNNJKGP-SCSAIBSYSA-N 0 0 196.197 2.506 10 0 AFAERN CSc1ccc(C)c(F)c1F 306893880 345688624 /nfs/dbraw/zinc/68/86/24/345688624.db2.gz KFTWUNPWQIVCDD-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN Cc1cocc1-c1cccc(N)c1 306898114 345690401 /nfs/dbraw/zinc/69/04/01/345690401.db2.gz WASXDKNXYIRMOK-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CCSc1cc(C)c(N)cc1F 306899512 345690657 /nfs/dbraw/zinc/69/06/57/345690657.db2.gz JVVZWQNTDSMOSK-UHFFFAOYSA-N 0 0 185.267 2.828 10 0 AFAERN CCC1(Nc2nncs2)CCCC1 306900390 345691379 /nfs/dbraw/zinc/69/13/79/345691379.db2.gz LTZKELJKHMAOAH-UHFFFAOYSA-N 0 0 197.307 2.673 10 0 AFAERN 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IPZPWTKNFMHIBD-UHFFFAOYSA-N 0 0 189.180 2.904 10 0 AFAERN CC[C@@H]1CC[NH2+][C@H](c2cscn2)C1 306953905 345716639 /nfs/dbraw/zinc/71/66/39/345716639.db2.gz IZXUCKYPQIDZFT-BDAKNGLRSA-N 0 0 196.319 2.594 10 0 AFAERN CNc1nc2c(s1)C1CCC2CC1 306954202 345716669 /nfs/dbraw/zinc/71/66/69/345716669.db2.gz NRHOXTCAKXMRAC-UHFFFAOYSA-N 0 0 194.303 2.940 10 0 AFAERN CC[C@H]1CC[NH2+][C@H](c2cscn2)C1 306953908 345716698 /nfs/dbraw/zinc/71/66/98/345716698.db2.gz IZXUCKYPQIDZFT-IUCAKERBSA-N 0 0 196.319 2.594 10 0 AFAERN CC[C@@H]1CC[NH2+][C@@H](c2cscn2)C1 306953909 345716786 /nfs/dbraw/zinc/71/67/86/345716786.db2.gz IZXUCKYPQIDZFT-RKDXNWHRSA-N 0 0 196.319 2.594 10 0 AFAERN Nc1cscc1C1CCC1 306954757 345717013 /nfs/dbraw/zinc/71/70/13/345717013.db2.gz OXSSMUXBWYMPJS-UHFFFAOYSA-N 0 0 153.250 2.598 10 0 AFAERN COc1ccc([C@H](O)C2(C)CC2)s1 306955924 345717824 /nfs/dbraw/zinc/71/78/24/345717824.db2.gz BTCBALFHNPYJAA-VIFPVBQESA-N 0 0 198.287 2.590 10 0 AFAERN COc1ccc([C@@H](O)C2(C)CC2)s1 306955923 345717857 /nfs/dbraw/zinc/71/78/57/345717857.db2.gz BTCBALFHNPYJAA-SECBINFHSA-N 0 0 198.287 2.590 10 0 AFAERN Cc1cncc([C@@H](O)CC2(C)CC2)c1 306960063 345719455 /nfs/dbraw/zinc/71/94/55/345719455.db2.gz AYRKBHBGAJXOGL-NSHDSACASA-N 0 0 191.274 2.614 10 0 AFAERN Cc1cocc1-c1c[nH]c(=S)cn1 306959867 345719506 /nfs/dbraw/zinc/71/95/06/345719506.db2.gz YKZPPTCLPZKJPB-UHFFFAOYSA-N 0 0 192.243 2.708 10 0 AFAERN COc1nc(CC2=CCCC2)cs1 306960003 345719632 /nfs/dbraw/zinc/71/96/32/345719632.db2.gz ATIOOBSHAXPORE-UHFFFAOYSA-N 0 0 195.287 2.805 10 0 AFAERN Cc1cncc([C@H](O)CC2(C)CC2)c1 306960062 345719639 /nfs/dbraw/zinc/71/96/39/345719639.db2.gz AYRKBHBGAJXOGL-LLVKDONJSA-N 0 0 191.274 2.614 10 0 AFAERN Cc1cc(C(=O)c2ccc[nH]2)cs1 306961717 345720701 /nfs/dbraw/zinc/72/07/01/345720701.db2.gz AXACEROQEUQGCW-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN CC[C@H]1CCC[C@@]1(O)c1ccsn1 306963151 345721719 /nfs/dbraw/zinc/72/17/19/345721719.db2.gz CNEWJWGGYJIYTE-WPRPVWTQSA-N 0 0 197.303 2.541 10 0 AFAERN CC[C@@H]1CCC[C@@]1(O)c1ccsn1 306963149 345721767 /nfs/dbraw/zinc/72/17/67/345721767.db2.gz CNEWJWGGYJIYTE-SCZZXKLOSA-N 0 0 197.303 2.541 10 0 AFAERN CC[C@H]1CCC[C@]1(O)c1ccsn1 306963150 345721857 /nfs/dbraw/zinc/72/18/57/345721857.db2.gz CNEWJWGGYJIYTE-WCBMZHEXSA-N 0 0 197.303 2.541 10 0 AFAERN CC[C@@H]1CCC[C@]1(O)c1ccsn1 306963148 345721870 /nfs/dbraw/zinc/72/18/70/345721870.db2.gz CNEWJWGGYJIYTE-PSASIEDQSA-N 0 0 197.303 2.541 10 0 AFAERN O=Cc1cc(F)cc(F)c1C(F)F 306964371 345722235 /nfs/dbraw/zinc/72/22/35/345722235.db2.gz DJAZMTADFUKVOM-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN CCOc1ccc(C)c(OC)c1C 306963475 345722300 /nfs/dbraw/zinc/72/23/00/345722300.db2.gz CRGDKOOOYBPKRT-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN CC1(C)CC[C@H]1n1cccc1C=O 306965114 345722756 /nfs/dbraw/zinc/72/27/56/345722756.db2.gz JVZNDHKOKMKQKE-SNVBAGLBSA-N 0 0 177.247 2.662 10 0 AFAERN CC1(C)CC[C@@H]1n1cccc1C=O 306965113 345722838 /nfs/dbraw/zinc/72/28/38/345722838.db2.gz JVZNDHKOKMKQKE-JTQLQIEISA-N 0 0 177.247 2.662 10 0 AFAERN CC(C)C(=O)c1sccc1F 306966740 345723907 /nfs/dbraw/zinc/72/39/07/345723907.db2.gz LXBFSRQHACIELT-UHFFFAOYSA-N 0 0 172.224 2.726 10 0 AFAERN COc1cc(F)cc(Cl)c1C 306969119 345725362 /nfs/dbraw/zinc/72/53/62/345725362.db2.gz IGBDTUQGSILEEF-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN Cc1nc([C@@H](C)C(C)C)c(N)s1 306970436 345725647 /nfs/dbraw/zinc/72/56/47/345725647.db2.gz UDTJSLOWLVQDIK-LURJTMIESA-N 0 0 184.308 2.793 10 0 AFAERN Cc1nc([C@H](C)C(C)C)c(N)s1 306970438 345725663 /nfs/dbraw/zinc/72/56/63/345725663.db2.gz UDTJSLOWLVQDIK-ZCFIWIBFSA-N 0 0 184.308 2.793 10 0 AFAERN Nc1ccc(F)cc1-c1ccns1 306971272 345726311 /nfs/dbraw/zinc/72/63/11/345726311.db2.gz RYPWHSKZJXBPSP-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1cc(-c2ccns2)ccc1O 306972539 345726818 /nfs/dbraw/zinc/72/68/18/345726818.db2.gz ULOQKXBUEFRSPF-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN FCOc1cc(F)c(Cl)c(F)c1 306973269 345727245 /nfs/dbraw/zinc/72/72/45/345727245.db2.gz LLYNCPCZSFVHKH-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN Cc1cc(F)cc(NC2CSC2)c1 306973800 345727302 /nfs/dbraw/zinc/72/73/02/345727302.db2.gz XJLIRBHCTYSQCA-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN Cc1coc(N[C@@H]2CCC[C@H]2C)n1 306975000 345728386 /nfs/dbraw/zinc/72/83/86/345728386.db2.gz YUGSRUOWCHBPFF-VXNVDRBHSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1coc(N[C@@H]2CCC[C@@H]2C)n1 306974994 345728391 /nfs/dbraw/zinc/72/83/91/345728391.db2.gz YUGSRUOWCHBPFF-IONNQARKSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1coc(N[C@H]2CCC[C@H]2C)n1 306974984 345728558 /nfs/dbraw/zinc/72/85/58/345728558.db2.gz YUGSRUOWCHBPFF-APPZFPTMSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1coc(N[C@H]2CCC[C@@H]2C)n1 306974989 345728605 /nfs/dbraw/zinc/72/86/05/345728605.db2.gz YUGSRUOWCHBPFF-CBAPKCEASA-N 0 0 180.251 2.584 10 0 AFAERN Cc1cscc1NC[C@H]1CCCO1 306975715 345729166 /nfs/dbraw/zinc/72/91/66/345729166.db2.gz AATRADKBBQWSCP-SECBINFHSA-N 0 0 197.303 2.647 10 0 AFAERN Cc1cscc1NC[C@@H]1CCCO1 306975738 345729168 /nfs/dbraw/zinc/72/91/68/345729168.db2.gz AATRADKBBQWSCP-VIFPVBQESA-N 0 0 197.303 2.647 10 0 AFAERN CCNc1cc(OC)c(C)cc1C 306976272 345729362 /nfs/dbraw/zinc/72/93/62/345729362.db2.gz ARNNMCJVHBRDJT-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN Nc1csc(CC2CCCCC2)n1 306976069 345729544 /nfs/dbraw/zinc/72/95/44/345729544.db2.gz CFCNXZGCPRZJGI-UHFFFAOYSA-N 0 0 196.319 2.848 10 0 AFAERN O[C@@]1(C2CCC2)CCCC12CCC2 306977303 345730047 /nfs/dbraw/zinc/73/00/47/345730047.db2.gz AOTZKPJCNAMHRJ-GFCCVEGCSA-N 0 0 180.291 2.872 10 0 AFAERN CC[C@@H](F)CNc1ccc(F)cc1 306977198 345730109 /nfs/dbraw/zinc/73/01/09/345730109.db2.gz AOTYYLXAJIBSSM-MRVPVSSYSA-N 0 0 185.217 2.986 10 0 AFAERN CCc1c(OC)cc(F)c(F)c1F 306976837 345730142 /nfs/dbraw/zinc/73/01/42/345730142.db2.gz NVSCBIUDQJTPRO-UHFFFAOYSA-N 0 0 190.164 2.675 10 0 AFAERN Oc1cc(C(F)F)c(F)cc1F 306978894 345731049 /nfs/dbraw/zinc/73/10/49/345731049.db2.gz CONGTWGMPPABFC-UHFFFAOYSA-N 0 0 180.100 2.608 10 0 AFAERN O=C(c1ccoc1)c1sccc1F 306982380 345733015 /nfs/dbraw/zinc/73/30/15/345733015.db2.gz RLTHQNGJGWCFSN-UHFFFAOYSA-N 0 0 196.202 2.711 10 0 AFAERN Oc1ccc(F)cc1-c1ccns1 306983087 345733560 /nfs/dbraw/zinc/73/35/60/345733560.db2.gz KETLIOJJNAMNQD-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CC1(c2ncsc2N)CCCCC1 306986732 345735859 /nfs/dbraw/zinc/73/58/59/345735859.db2.gz XWTKPEZRXOSILY-UHFFFAOYSA-N 0 0 196.319 2.947 10 0 AFAERN Cc1cccc([C@@H](O)C(C)(F)F)c1 306988442 345736435 /nfs/dbraw/zinc/73/64/35/345736435.db2.gz AHUNUDNIQJKYCY-SECBINFHSA-N 0 0 186.201 2.684 10 0 AFAERN Cc1cc(C2=NC(=O)CS2)cs1 306988592 345736438 /nfs/dbraw/zinc/73/64/38/345736438.db2.gz GRZKSTDYARUFFN-UHFFFAOYSA-N 0 0 197.284 2.886 10 0 AFAERN CC[C@@H]1C[C@@H]1c1nc(Cl)ns1 306988225 345736446 /nfs/dbraw/zinc/73/64/46/345736446.db2.gz ACBOZIRXKHABCM-UHNVWZDZSA-N 0 0 188.683 2.705 10 0 AFAERN Cc1cccc([C@H](O)C(C)(F)F)c1 306988444 345736465 /nfs/dbraw/zinc/73/64/65/345736465.db2.gz AHUNUDNIQJKYCY-VIFPVBQESA-N 0 0 186.201 2.684 10 0 AFAERN CC[C@H]1C[C@@H]1c1nc(Cl)ns1 306988229 345736480 /nfs/dbraw/zinc/73/64/80/345736480.db2.gz ACBOZIRXKHABCM-WHFBIAKZSA-N 0 0 188.683 2.705 10 0 AFAERN CC[C@H](C)C(=O)c1cc(C)ns1 306993963 345739889 /nfs/dbraw/zinc/73/98/89/345739889.db2.gz MFHDUBRYDRTBJM-LURJTMIESA-N 0 0 183.276 2.680 10 0 AFAERN Cc1ccc(-c2ccsn2)cc1N 306994463 345739940 /nfs/dbraw/zinc/73/99/40/345739940.db2.gz NNZBCOFOBKWODA-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC[C@@H](C)C(=O)c1cc(C)ns1 306993964 345739972 /nfs/dbraw/zinc/73/99/72/345739972.db2.gz MFHDUBRYDRTBJM-ZCFIWIBFSA-N 0 0 183.276 2.680 10 0 AFAERN Cc1cocc1[C@@H]1CCCC(=O)C1 306993694 345740012 /nfs/dbraw/zinc/74/00/12/345740012.db2.gz LJRJNZSMJDCOND-SECBINFHSA-N 0 0 178.231 2.815 10 0 AFAERN Cc1nc(-c2cc(F)ccn2)cs1 306994462 345740024 /nfs/dbraw/zinc/74/00/24/345740024.db2.gz NNWGRJROHOTLOB-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1cocc1[C@H]1CCCC(=O)C1 306993695 345740078 /nfs/dbraw/zinc/74/00/78/345740078.db2.gz LJRJNZSMJDCOND-VIFPVBQESA-N 0 0 178.231 2.815 10 0 AFAERN Cc1cc(N)c(OC(C)C)cc1F 306996020 345740846 /nfs/dbraw/zinc/74/08/46/345740846.db2.gz RLHZTMHODYNULQ-UHFFFAOYSA-N 0 0 183.226 2.504 10 0 AFAERN CC(=O)C[C@H]1CCCCC1(F)F 306996528 345740881 /nfs/dbraw/zinc/74/08/81/345740881.db2.gz STIMGSLAEGENAN-MRVPVSSYSA-N 0 0 176.206 2.791 10 0 AFAERN CC(=O)C[C@@H]1CCCCC1(F)F 306996529 345741045 /nfs/dbraw/zinc/74/10/45/345741045.db2.gz STIMGSLAEGENAN-QMMMGPOBSA-N 0 0 176.206 2.791 10 0 AFAERN CCc1cnc(N[C@H]2CC2(C)C)s1 306996259 345741068 /nfs/dbraw/zinc/74/10/68/345741068.db2.gz SDHGMUBWNQEKEK-QMMMGPOBSA-N 0 0 196.319 2.916 10 0 AFAERN CCc1cnc(N[C@@H]2CC2(C)C)s1 306996258 345741145 /nfs/dbraw/zinc/74/11/45/345741145.db2.gz SDHGMUBWNQEKEK-MRVPVSSYSA-N 0 0 196.319 2.916 10 0 AFAERN Cc1csc(C(=O)c2cc[nH]c2)c1 306996994 345741464 /nfs/dbraw/zinc/74/14/64/345741464.db2.gz UTWZKBVQIJWKFJ-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN CCC1C=C(C)SC1=S 306997733 345741627 /nfs/dbraw/zinc/74/16/27/345741627.db2.gz XGGNUWIVEDPETK-UHFFFAOYSA-N 0 0 158.291 2.908 10 0 AFAERN Cc1oncc1N[C@H]1CCC[C@H]1C 306999249 345742480 /nfs/dbraw/zinc/74/24/80/345742480.db2.gz ZPKDKHOHFHEFPT-APPZFPTMSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1oncc1N[C@H]1CCC[C@@H]1C 306999250 345742548 /nfs/dbraw/zinc/74/25/48/345742548.db2.gz ZPKDKHOHFHEFPT-CBAPKCEASA-N 0 0 180.251 2.584 10 0 AFAERN Cc1oncc1N[C@@H]1CCC[C@@H]1C 306999251 345742551 /nfs/dbraw/zinc/74/25/51/345742551.db2.gz ZPKDKHOHFHEFPT-IONNQARKSA-N 0 0 180.251 2.584 10 0 AFAERN Cc1cncc(N[C@H]2CC[C@@H]3C[C@H]23)c1 306998764 345742670 /nfs/dbraw/zinc/74/26/70/345742670.db2.gz YNQFONPEXYPTNR-USWWRNFRSA-N 0 0 188.274 2.600 10 0 AFAERN Cc1oncc1N[C@@H]1CCC[C@H]1C 306999252 345742715 /nfs/dbraw/zinc/74/27/15/345742715.db2.gz ZPKDKHOHFHEFPT-VXNVDRBHSA-N 0 0 180.251 2.584 10 0 AFAERN COc1cc(F)c(Cl)cc1C 307000956 345743924 /nfs/dbraw/zinc/74/39/24/345743924.db2.gz DRZKHHAIEQBOQX-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN COc1cc(C(F)F)c(F)cc1F 307002818 345745101 /nfs/dbraw/zinc/74/51/01/345745101.db2.gz ILXSPBMBHZSNNJ-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)c2ccc[nH]2)C1 307004568 345746233 /nfs/dbraw/zinc/74/62/33/345746233.db2.gz DQZURQWBSWWMBB-BDAKNGLRSA-N 0 0 177.247 2.634 10 0 AFAERN Cc1sccc1C(=O)[C@@]1(C)C[C@@H]1F 307004410 345746263 /nfs/dbraw/zinc/74/62/63/345746263.db2.gz DZYUZWVGHMVHNM-WPRPVWTQSA-N 0 0 198.262 2.987 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)c2ccc[nH]2)C1 307004569 345746273 /nfs/dbraw/zinc/74/62/73/345746273.db2.gz DQZURQWBSWWMBB-DTWKUNHWSA-N 0 0 177.247 2.634 10 0 AFAERN Cc1sccc1C(=O)[C@]1(C)C[C@H]1F 307004405 345746277 /nfs/dbraw/zinc/74/62/77/345746277.db2.gz DZYUZWVGHMVHNM-PSASIEDQSA-N 0 0 198.262 2.987 10 0 AFAERN C[C@H]1CC[C@H](C(=O)c2ccc[nH]2)C1 307004570 345746298 /nfs/dbraw/zinc/74/62/98/345746298.db2.gz DQZURQWBSWWMBB-IUCAKERBSA-N 0 0 177.247 2.634 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)c2ccc[nH]2)C1 307004571 345746311 /nfs/dbraw/zinc/74/63/11/345746311.db2.gz DQZURQWBSWWMBB-RKDXNWHRSA-N 0 0 177.247 2.634 10 0 AFAERN Cc1sccc1C(=O)[C@]1(C)C[C@@H]1F 307004409 345746371 /nfs/dbraw/zinc/74/63/71/345746371.db2.gz DZYUZWVGHMVHNM-WCBMZHEXSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1sccc1C(=O)[C@@]1(C)C[C@H]1F 307004407 345746379 /nfs/dbraw/zinc/74/63/79/345746379.db2.gz DZYUZWVGHMVHNM-SCZZXKLOSA-N 0 0 198.262 2.987 10 0 AFAERN c1csc(N[C@H]2CC23CCCC3)n1 307005780 345747210 /nfs/dbraw/zinc/74/72/10/345747210.db2.gz FEAOWXSGUXPIFC-QMMMGPOBSA-N 0 0 194.303 2.888 10 0 AFAERN c1csc(N[C@@H]2CC23CCCC3)n1 307005778 345747455 /nfs/dbraw/zinc/74/74/55/345747455.db2.gz FEAOWXSGUXPIFC-MRVPVSSYSA-N 0 0 194.303 2.888 10 0 AFAERN Cc1cc(=S)n([C@@H](C)C(C)C)[nH]1 307008012 345748398 /nfs/dbraw/zinc/74/83/98/345748398.db2.gz HIWPBIFEMVUEQZ-QMMMGPOBSA-N 0 0 184.308 2.697 10 0 AFAERN Cc1cc(=S)n([C@H](C)C(C)C)[nH]1 307008010 345748532 /nfs/dbraw/zinc/74/85/32/345748532.db2.gz HIWPBIFEMVUEQZ-MRVPVSSYSA-N 0 0 184.308 2.697 10 0 AFAERN CC1(COc2cccnc2)CCC1 307007474 345748691 /nfs/dbraw/zinc/74/86/91/345748691.db2.gz GQKNZLDISPLKFM-UHFFFAOYSA-N 0 0 177.247 2.651 10 0 AFAERN Cc1c[nH]c(=S)n1C1(C(C)C)CC1 307008153 345748877 /nfs/dbraw/zinc/74/88/77/345748877.db2.gz GUBMLMKQUSYERK-UHFFFAOYSA-N 0 0 196.319 2.625 10 0 AFAERN CC(C)OC(=O)C1=CCCC1(C)C 307008420 345749135 /nfs/dbraw/zinc/74/91/35/345749135.db2.gz HIXMUAYCKFSIES-UHFFFAOYSA-N 0 0 182.263 2.684 10 0 AFAERN Nc1ccc(F)cc1-c1cscn1 307011635 345751157 /nfs/dbraw/zinc/75/11/57/345751157.db2.gz OZZPXOSYWRNGMI-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN C[C@H](c1csc(N)n1)C(C)(C)C 307012145 345751726 /nfs/dbraw/zinc/75/17/26/345751726.db2.gz LXGSSXHELMATAK-ZCFIWIBFSA-N 0 0 184.308 2.875 10 0 AFAERN C[C@@H](c1csc(N)n1)C(C)(C)C 307012144 345751736 /nfs/dbraw/zinc/75/17/36/345751736.db2.gz LXGSSXHELMATAK-LURJTMIESA-N 0 0 184.308 2.875 10 0 AFAERN CCOc1cc(F)cc(F)c1C 307013738 345752568 /nfs/dbraw/zinc/75/25/68/345752568.db2.gz RTLBGCIYBLWBLP-UHFFFAOYSA-N 0 0 172.174 2.672 10 0 AFAERN Cc1cccc([C@@]2(O)CC[C@@H]2C)c1 307013854 345752634 /nfs/dbraw/zinc/75/26/34/345752634.db2.gz MHEOPSJABNSACM-CMPLNLGQSA-N 0 0 176.259 2.613 10 0 AFAERN C[C@@H]1CCC[C@H]([C@@]2(O)CC[C@H]2C)C1 307013212 345752649 /nfs/dbraw/zinc/75/26/49/345752649.db2.gz NKHCCIFEZPQLNS-WISYIIOYSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1cccc([C@]2(O)CC[C@@H]2C)c1 307013855 345752677 /nfs/dbraw/zinc/75/26/77/345752677.db2.gz MHEOPSJABNSACM-JQWIXIFHSA-N 0 0 176.259 2.613 10 0 AFAERN C[C@H]1CC[C@@]1(O)[C@H]1CCC[C@@H](C)C1 307013210 345752922 /nfs/dbraw/zinc/75/29/22/345752922.db2.gz NKHCCIFEZPQLNS-RHYQMDGZSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1cccc([C@@]2(O)CC[C@H]2C)c1 307013857 345752779 /nfs/dbraw/zinc/75/27/79/345752779.db2.gz MHEOPSJABNSACM-ZYHUDNBSSA-N 0 0 176.259 2.613 10 0 AFAERN Fc1c(Cl)cncc1C(F)(F)F 307013519 345752817 /nfs/dbraw/zinc/75/28/17/345752817.db2.gz RGFUBUXIBDONRX-UHFFFAOYSA-N 0 0 199.534 2.893 10 0 AFAERN Cc1cccc([C@]2(O)CC[C@H]2C)c1 307013856 345752832 /nfs/dbraw/zinc/75/28/32/345752832.db2.gz MHEOPSJABNSACM-PWSUYJOCSA-N 0 0 176.259 2.613 10 0 AFAERN C[C@@H]1CCC[C@H]([C@]2(O)CC[C@H]2C)C1 307013214 345752840 /nfs/dbraw/zinc/75/28/40/345752840.db2.gz NKHCCIFEZPQLNS-WYUUTHIRSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H]1CC[C@]1(O)[C@H]1CCC[C@@H](C)C1 307013208 345752914 /nfs/dbraw/zinc/75/29/14/345752914.db2.gz NKHCCIFEZPQLNS-NOOOWODRSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)(Nc1ncns1)C1CCC1 307014496 345753081 /nfs/dbraw/zinc/75/30/81/345753081.db2.gz PDRYSEAIBBFKCD-UHFFFAOYSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@](C)(O)CNc1cscc1C 307015265 345753768 /nfs/dbraw/zinc/75/37/68/345753768.db2.gz NQMYCWGWGDTFBT-JTQLQIEISA-N 0 0 199.319 2.629 10 0 AFAERN CC[C@@](C)(O)CNc1cscc1C 307015266 345753880 /nfs/dbraw/zinc/75/38/80/345753880.db2.gz NQMYCWGWGDTFBT-SNVBAGLBSA-N 0 0 199.319 2.629 10 0 AFAERN Cc1cccc(F)c1NC1CSC1 307016471 345754854 /nfs/dbraw/zinc/75/48/54/345754854.db2.gz RHKFPESYEQTKDE-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN CC(C)N1CCc2cccc(F)c21 307017242 345755533 /nfs/dbraw/zinc/75/55/33/345755533.db2.gz PUMJFKVHPPGDBS-UHFFFAOYSA-N 0 0 179.238 2.597 10 0 AFAERN CC(=O)c1c(Cl)ccc(F)c1C 307017380 345755615 /nfs/dbraw/zinc/75/56/15/345755615.db2.gz ALUCXVIGBCNRIG-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN Cc1nccc(SC(C)(C)C)n1 307018391 345756268 /nfs/dbraw/zinc/75/62/68/345756268.db2.gz QUOIHWSMCKPMAK-UHFFFAOYSA-N 0 0 182.292 2.676 10 0 AFAERN CO[C@@H](C)CNc1cscc1C 307018994 345757036 /nfs/dbraw/zinc/75/70/36/345757036.db2.gz RLNYBIBNAVKJAL-QMMMGPOBSA-N 0 0 185.292 2.503 10 0 AFAERN CO[C@H](C)CNc1cscc1C 307018993 345757089 /nfs/dbraw/zinc/75/70/89/345757089.db2.gz RLNYBIBNAVKJAL-MRVPVSSYSA-N 0 0 185.292 2.503 10 0 AFAERN CC(C)[C@H]1CCc2cc(N)ccc21 307019634 345757571 /nfs/dbraw/zinc/75/75/71/345757571.db2.gz SFTKNLKSXDXGAO-LLVKDONJSA-N 0 0 175.275 2.955 10 0 AFAERN CC(C)[C@@H]1CCc2cc(N)ccc21 307019640 345757623 /nfs/dbraw/zinc/75/76/23/345757623.db2.gz SFTKNLKSXDXGAO-NSHDSACASA-N 0 0 175.275 2.955 10 0 AFAERN Cc1cc(C)c(C(=O)C(C)C)cn1 307019837 345757633 /nfs/dbraw/zinc/75/76/33/345757633.db2.gz VPSJBTBJSLPXHZ-UHFFFAOYSA-N 0 0 177.247 2.537 10 0 AFAERN CCN(C)c1c(N)ccc(Cl)c1C 307022903 345759711 /nfs/dbraw/zinc/75/97/11/345759711.db2.gz DLWXYTVEQJOYKQ-UHFFFAOYSA-N 0 0 198.697 2.687 10 0 AFAERN Cc1cc(N)ncc1C1=CCCC1 307023349 345760597 /nfs/dbraw/zinc/76/05/97/345760597.db2.gz FJMABIKNAGDKAX-UHFFFAOYSA-N 0 0 174.247 2.540 10 0 AFAERN Fc1cncc(Cl)c1C(F)(F)F 307023459 345760603 /nfs/dbraw/zinc/76/06/03/345760603.db2.gz GAUULZVBWAGIKM-UHFFFAOYSA-N 0 0 199.534 2.893 10 0 AFAERN CCc1c(F)c(F)cc(OC)c1F 307025131 345761590 /nfs/dbraw/zinc/76/15/90/345761590.db2.gz GSJQDLWAIUBQAA-UHFFFAOYSA-N 0 0 190.164 2.675 10 0 AFAERN CC[C@H](F)CNc1ccccc1 307025732 345762244 /nfs/dbraw/zinc/76/22/44/345762244.db2.gz XJBIRUPFBFUUAN-VIFPVBQESA-N 0 0 167.227 2.847 10 0 AFAERN CC[C@@H](F)CNc1ccccc1 307025731 345762478 /nfs/dbraw/zinc/76/24/78/345762478.db2.gz XJBIRUPFBFUUAN-SECBINFHSA-N 0 0 167.227 2.847 10 0 AFAERN Cc1[nH+]c2c(C)csc2c(N)c1C 307026649 345762785 /nfs/dbraw/zinc/76/27/85/345762785.db2.gz YOWVDMQXFLUJNH-UHFFFAOYSA-N 0 0 192.287 2.804 10 0 AFAERN COc1c(F)c(F)cc(F)c1CF 307026205 345762918 /nfs/dbraw/zinc/76/29/18/345762918.db2.gz JEBFAPORDIAJLH-UHFFFAOYSA-N 0 0 194.127 2.582 10 0 AFAERN CCC(C)(C)NC(=O)C(F)=C(C)C 307027173 345763595 /nfs/dbraw/zinc/76/35/95/345763595.db2.gz ZKEFKHZLBYWFRO-UHFFFAOYSA-N 0 0 187.258 2.555 10 0 AFAERN Cc1cccc(N[C@@H]2CC[C@H]2C)n1 307027624 345764256 /nfs/dbraw/zinc/76/42/56/345764256.db2.gz JYSFNRBLOGPTHZ-PSASIEDQSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccc(N[C@H]2CC[C@H]2C)n1 307027628 345764338 /nfs/dbraw/zinc/76/43/38/345764338.db2.gz JYSFNRBLOGPTHZ-SCZZXKLOSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccc(N[C@H]2CC[C@@H]2C)n1 307027636 345764372 /nfs/dbraw/zinc/76/43/72/345764372.db2.gz JYSFNRBLOGPTHZ-WPRPVWTQSA-N 0 0 176.263 2.600 10 0 AFAERN CCc1cc(C)cc(OC)c1C 307028203 345764547 /nfs/dbraw/zinc/76/45/47/345764547.db2.gz MNNHOKPAGYBLIH-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN Cc1cccc(N[C@@H]2CC[C@@H]2C)n1 307027632 345764550 /nfs/dbraw/zinc/76/45/50/345764550.db2.gz JYSFNRBLOGPTHZ-WCBMZHEXSA-N 0 0 176.263 2.600 10 0 AFAERN CC1(C)OCc2sc(Cl)nc21 307028523 345765052 /nfs/dbraw/zinc/76/50/52/345765052.db2.gz LAZQAEOCEKVPRH-UHFFFAOYSA-N 0 0 189.667 2.562 10 0 AFAERN CCOc1c(C)ccc(F)c1F 307030128 345765677 /nfs/dbraw/zinc/76/56/77/345765677.db2.gz PJIYTXHAIDZAPB-UHFFFAOYSA-N 0 0 172.174 2.672 10 0 AFAERN CNc1ccnc2c(C)csc12 307029870 345765842 /nfs/dbraw/zinc/76/58/42/345765842.db2.gz CXEXZFWDTMERCM-UHFFFAOYSA-N 0 0 178.260 2.646 10 0 AFAERN CC[C@H]1CCCc2cnc(Cl)nc21 307031855 345767237 /nfs/dbraw/zinc/76/72/37/345767237.db2.gz FVETVYVTQNWCQR-ZETCQYMHSA-N 0 0 196.681 2.960 10 0 AFAERN CCc1oc(=S)[nH]c1C(C)(C)C 307032745 345767266 /nfs/dbraw/zinc/76/72/66/345767266.db2.gz RYGKGPUSLJEWEG-UHFFFAOYSA-N 0 0 185.292 2.823 10 0 AFAERN CCOc1cc(OC)cc(C)c1C 307032689 345767408 /nfs/dbraw/zinc/76/74/08/345767408.db2.gz RRGUEIOEVSFOHW-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN Cc1nc(C(=O)[C@@H]2CC2(C)C)cs1 307033979 345767824 /nfs/dbraw/zinc/76/78/24/345767824.db2.gz MHKRSRLBEOXMQR-ZETCQYMHSA-N 0 0 195.287 2.680 10 0 AFAERN C[C@@H](Nc1ccccn1)C(C)(F)F 307034479 345768308 /nfs/dbraw/zinc/76/83/08/345768308.db2.gz MUQWQEHVEAXYGT-SSDOTTSWSA-N 0 0 186.205 2.537 10 0 AFAERN Cc1nc(C2(C)CCCC2)c(N)s1 307035054 345768408 /nfs/dbraw/zinc/76/84/08/345768408.db2.gz UPYQLSAIPTTWTH-UHFFFAOYSA-N 0 0 196.319 2.865 10 0 AFAERN CCc1c(C)ccc(OC)c1C 307034916 345768424 /nfs/dbraw/zinc/76/84/24/345768424.db2.gz WBIPDAPTMCDNJC-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN CC(C)[C@H](C)C(=O)C1(C)CC1 307035321 345768803 /nfs/dbraw/zinc/76/88/03/345768803.db2.gz UYOXHVIEYWQKQZ-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@@H](C)C(=O)C1(C)CC1 307035320 345768842 /nfs/dbraw/zinc/76/88/42/345768842.db2.gz UYOXHVIEYWQKQZ-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN Clc1n[nH]c(CC2CCCCC2)n1 307035289 345769069 /nfs/dbraw/zinc/76/90/69/345769069.db2.gz UULVARFPWWOMJH-UHFFFAOYSA-N 0 0 199.685 2.581 10 0 AFAERN CC1(c2nc(N)cs2)CCCCC1 307035967 345769076 /nfs/dbraw/zinc/76/90/76/345769076.db2.gz WIBLUXNMSFLSQX-UHFFFAOYSA-N 0 0 196.319 2.947 10 0 AFAERN FCOc1cc(F)c(F)c(Cl)c1 307036076 345769585 /nfs/dbraw/zinc/76/95/85/345769585.db2.gz WLBAGRFPJRFLEE-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN CCC[C@H](C)[C@@]1(O)CSC[C@H]1C 307038596 345771223 /nfs/dbraw/zinc/77/12/23/345771223.db2.gz IEGNTLPIZKGAFD-AEJSXWLSSA-N 0 0 188.336 2.537 10 0 AFAERN CCC[C@H](C)[C@@]1(O)CSC[C@@H]1C 307038598 345771247 /nfs/dbraw/zinc/77/12/47/345771247.db2.gz IEGNTLPIZKGAFD-GUBZILKMSA-N 0 0 188.336 2.537 10 0 AFAERN CCC[C@H](C)[C@]1(O)CSC[C@@H]1C 307038602 345771323 /nfs/dbraw/zinc/77/13/23/345771323.db2.gz IEGNTLPIZKGAFD-LPEHRKFASA-N 0 0 188.336 2.537 10 0 AFAERN CCC[C@H](C)[C@]1(O)CSC[C@H]1C 307038600 345771337 /nfs/dbraw/zinc/77/13/37/345771337.db2.gz IEGNTLPIZKGAFD-IVZWLZJFSA-N 0 0 188.336 2.537 10 0 AFAERN O=Cc1cc(F)cc(C(F)F)c1F 307040390 345772358 /nfs/dbraw/zinc/77/23/58/345772358.db2.gz MFJHFCKFUBTCAH-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN Oc1ccc(-c2ccsn2)cc1F 307040286 345772361 /nfs/dbraw/zinc/77/23/61/345772361.db2.gz MBTXRYGNRNIXHD-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CC(=O)c1cc(Cl)cc(F)c1C 307042187 345773336 /nfs/dbraw/zinc/77/33/36/345773336.db2.gz QMVFTNVKRBZZHA-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN CC(C)Cc1cc(N)cc(F)c1 307044183 345774919 /nfs/dbraw/zinc/77/49/19/345774919.db2.gz TWOAIBIXZNCJLN-UHFFFAOYSA-N 0 0 167.227 2.606 10 0 AFAERN Cc1ccc([C@]2(O)CC[C@H]3C[C@H]32)cc1 307044657 345775383 /nfs/dbraw/zinc/77/53/83/345775383.db2.gz ULVURGJLVVYOQQ-CYZMBNFOSA-N 0 0 188.270 2.613 10 0 AFAERN CC(C)OCc1csc(Cl)n1 307045890 345776475 /nfs/dbraw/zinc/77/64/75/345776475.db2.gz WTHMQCZNYNPYKC-UHFFFAOYSA-N 0 0 191.683 2.722 10 0 AFAERN CCC1(Nc2ccc(F)cn2)CC1 307047245 345776684 /nfs/dbraw/zinc/77/66/84/345776684.db2.gz BQVZLDJSLSQWFK-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN Oc1cc(F)cc(-c2cscn2)c1 307046772 345776893 /nfs/dbraw/zinc/77/68/93/345776893.db2.gz YSAYHIXMVIBPNQ-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CC(C)(C)SCC(F)F 307047781 345777473 /nfs/dbraw/zinc/77/74/73/345777473.db2.gz BLPIQUJLGICKGZ-UHFFFAOYSA-N 0 0 154.225 2.783 10 0 AFAERN Cc1c(OC(F)F)ccc(F)c1F 307049200 345778186 /nfs/dbraw/zinc/77/81/86/345778186.db2.gz KEZUKOHDUKPBBR-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN CC1(C)CC(n2cc[nH]c2=S)C1 307050971 345779134 /nfs/dbraw/zinc/77/91/34/345779134.db2.gz MMFVVAISJCYYAA-UHFFFAOYSA-N 0 0 182.292 2.533 10 0 AFAERN Cc1cc(N)cc(F)c1C(F)(F)F 307050959 345779394 /nfs/dbraw/zinc/77/93/94/345779394.db2.gz MKHDOVXPQYRQDH-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN Clc1ccnc(-c2ccns2)c1 307053194 345780850 /nfs/dbraw/zinc/78/08/50/345780850.db2.gz KHZMMOVELXNDSJ-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Nc1cc(CC2CC2)sc1Cl 307053841 345781404 /nfs/dbraw/zinc/78/14/04/345781404.db2.gz WGALMVMBVZTUNR-UHFFFAOYSA-N 0 0 187.695 2.936 10 0 AFAERN Cc1cc(-c2ccccc2)c(N)cn1 307055542 345782573 /nfs/dbraw/zinc/78/25/73/345782573.db2.gz UBEIVBCZMFKXJJ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Nc1ccc(-c2ccns2)cc1F 307056479 345782623 /nfs/dbraw/zinc/78/26/23/345782623.db2.gz CEBFKPGNODDIJJ-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN O=Cc1c(F)cc(F)cc1C(F)F 307056873 345783412 /nfs/dbraw/zinc/78/34/12/345783412.db2.gz WMOJNZNSLBWIJK-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN COc1cc(C(F)F)cc(F)c1F 307057683 345783948 /nfs/dbraw/zinc/78/39/48/345783948.db2.gz ZPOWJAPVLRGMHU-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN Cc1cnc(Cl)nc1C1CCC1 307058117 345783956 /nfs/dbraw/zinc/78/39/56/345783956.db2.gz AYKQBUUMNRKBFF-UHFFFAOYSA-N 0 0 182.654 2.706 10 0 AFAERN C[C@H]1CC[C@H](C(=O)c2ccns2)C1 307059904 345785490 /nfs/dbraw/zinc/78/54/90/345785490.db2.gz IOKWRCQCLXFXBC-YUMQZZPRSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)c2ccns2)C1 307059902 345785711 /nfs/dbraw/zinc/78/57/11/345785711.db2.gz IOKWRCQCLXFXBC-JGVFFNPUSA-N 0 0 195.287 2.762 10 0 AFAERN C/C=C/CNc1cccc(Cl)c1N 307060442 345785717 /nfs/dbraw/zinc/78/57/17/345785717.db2.gz DFGAVOURFKHXGE-NSCUHMNNSA-N 0 0 196.681 2.910 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)c2ccns2)C1 307059901 345785765 /nfs/dbraw/zinc/78/57/65/345785765.db2.gz IOKWRCQCLXFXBC-HTQZYQBOSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)c2ccns2)C1 307059903 345785770 /nfs/dbraw/zinc/78/57/70/345785770.db2.gz IOKWRCQCLXFXBC-SFYZADRCSA-N 0 0 195.287 2.762 10 0 AFAERN Cc1ccnc(C)c1NCC(C)C 307061106 345786366 /nfs/dbraw/zinc/78/63/66/345786366.db2.gz KUGBBOXNWVTHJM-UHFFFAOYSA-N 0 0 178.279 2.766 10 0 AFAERN CC[C@@]1(C)C[NH2+][C@H]1c1cnc(C)s1 307061719 345787179 /nfs/dbraw/zinc/78/71/79/345787179.db2.gz LJGJMOOBOXKXDB-UWVGGRQHSA-N 0 0 196.319 2.512 10 0 AFAERN CC[C@]1(C)C[NH2+][C@H]1c1cnc(C)s1 307061721 345787231 /nfs/dbraw/zinc/78/72/31/345787231.db2.gz LJGJMOOBOXKXDB-VHSXEESVSA-N 0 0 196.319 2.512 10 0 AFAERN CC[C@]1(C)C[NH2+][C@@H]1c1cnc(C)s1 307061718 345787259 /nfs/dbraw/zinc/78/72/59/345787259.db2.gz LJGJMOOBOXKXDB-NXEZZACHSA-N 0 0 196.319 2.512 10 0 AFAERN CC[C@@]1(C)C[NH2+][C@@H]1c1cnc(C)s1 307061723 345787359 /nfs/dbraw/zinc/78/73/59/345787359.db2.gz LJGJMOOBOXKXDB-ZJUUUORDSA-N 0 0 196.319 2.512 10 0 AFAERN Cc1scc(N)c1C1CCC1 307062188 345787372 /nfs/dbraw/zinc/78/73/72/345787372.db2.gz FZKMXQIDRDXVCX-UHFFFAOYSA-N 0 0 167.277 2.906 10 0 AFAERN Cc1ccc(O)c(C(F)F)c1C 307063271 345787822 /nfs/dbraw/zinc/78/78/22/345787822.db2.gz OTOZBIYPTLUWQO-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN Cc1ccc(N)cc1-c1ccns1 307063424 345788556 /nfs/dbraw/zinc/78/85/56/345788556.db2.gz OHLOLPUGEGCFKE-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cocc1C(=O)C(C)(C)C 307065932 345789517 /nfs/dbraw/zinc/78/95/17/345789517.db2.gz JGMUMRDIMZTLIB-UHFFFAOYSA-N 0 0 166.220 2.817 10 0 AFAERN Cc1csc(C(=O)c2ccc[nH]2)c1 307069594 345791595 /nfs/dbraw/zinc/79/15/95/345791595.db2.gz UDXSLSZOMGIBMJ-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN Cc1cnc(C2=CCCC2)c(N)c1 307069874 345792210 /nfs/dbraw/zinc/79/22/10/345792210.db2.gz UVSWSDYXSZFKNA-UHFFFAOYSA-N 0 0 174.247 2.540 10 0 AFAERN Cc1nc(=S)c2sccc2[nH]1 307070099 345792281 /nfs/dbraw/zinc/79/22/81/345792281.db2.gz VEAUFWBXIQSQQX-UHFFFAOYSA-N 0 0 182.273 2.662 10 0 AFAERN CCOc1cc(C)c(OC)c(C)c1 307072675 345793514 /nfs/dbraw/zinc/79/35/14/345793514.db2.gz ITRHZAGKMYNETQ-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN CCC1(Nc2cccc(N)c2)CC1 307071922 345793557 /nfs/dbraw/zinc/79/35/57/345793557.db2.gz HIDFCRYVWBBSTG-UHFFFAOYSA-N 0 0 176.263 2.623 10 0 AFAERN C[C@@H](Nc1cccnc1)C1CCC1 307073273 345794035 /nfs/dbraw/zinc/79/40/35/345794035.db2.gz ZRUMISGBAJHTMA-SECBINFHSA-N 0 0 176.263 2.682 10 0 AFAERN Cc1cn(C2(C(C)C)CC2)c(=S)[nH]1 307073571 345794130 /nfs/dbraw/zinc/79/41/30/345794130.db2.gz ABZVAQLTVGPBKW-UHFFFAOYSA-N 0 0 196.319 2.625 10 0 AFAERN C[C@H](Nc1cccnc1)C1CCC1 307073274 345794150 /nfs/dbraw/zinc/79/41/50/345794150.db2.gz ZRUMISGBAJHTMA-VIFPVBQESA-N 0 0 176.263 2.682 10 0 AFAERN Cc1cocc1[C@@H]1CCCCC1=O 307073754 345794451 /nfs/dbraw/zinc/79/44/51/345794451.db2.gz MQBSIJHHKBVUEF-VIFPVBQESA-N 0 0 178.231 2.815 10 0 AFAERN Cc1cocc1[C@H]1CCCCC1=O 307073746 345794454 /nfs/dbraw/zinc/79/44/54/345794454.db2.gz MQBSIJHHKBVUEF-SECBINFHSA-N 0 0 178.231 2.815 10 0 AFAERN Cc1nc([C@H]2CCCC(=O)C2)cs1 307077026 345796660 /nfs/dbraw/zinc/79/66/60/345796660.db2.gz PBLMNHJDLSFEGJ-QMMMGPOBSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1nc([C@@H]2CCCC(=O)C2)cs1 307077025 345796780 /nfs/dbraw/zinc/79/67/80/345796780.db2.gz PBLMNHJDLSFEGJ-MRVPVSSYSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1c[nH]c(-c2csc(C)c2)n1 307077820 345797053 /nfs/dbraw/zinc/79/70/53/345797053.db2.gz PTKGHPWWMSEFTB-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN Clc1ccn(CC=C2CCC2)n1 307078281 345797127 /nfs/dbraw/zinc/79/71/27/345797127.db2.gz GSUOSXIEAIAWLI-UHFFFAOYSA-N 0 0 182.654 2.647 10 0 AFAERN S=c1cnc(C2=CCCC2)c[nH]1 307079555 345797545 /nfs/dbraw/zinc/79/75/45/345797545.db2.gz RCUVQJRQUTZMDI-UHFFFAOYSA-N 0 0 178.260 2.706 10 0 AFAERN S=c1[nH]c(Cl)ccc1Cl 307081076 345798689 /nfs/dbraw/zinc/79/86/89/345798689.db2.gz GVGXYXUDIJSHFU-UHFFFAOYSA-N 0 0 180.059 2.677 10 0 AFAERN CCc1cnc(N[C@H]2C[C@@H]2C)s1 307081138 345798756 /nfs/dbraw/zinc/79/87/56/345798756.db2.gz SQKUDEMATRXJMI-XPUUQOCRSA-N 0 0 182.292 2.526 10 0 AFAERN CCc1cnc(N[C@@H]2C[C@@H]2C)s1 307081136 345798759 /nfs/dbraw/zinc/79/87/59/345798759.db2.gz SQKUDEMATRXJMI-POYBYMJQSA-N 0 0 182.292 2.526 10 0 AFAERN CCc1cnc(N[C@H]2C[C@H]2C)s1 307081137 345798822 /nfs/dbraw/zinc/79/88/22/345798822.db2.gz SQKUDEMATRXJMI-SVRRBLITSA-N 0 0 182.292 2.526 10 0 AFAERN CC(C)ON[C@H]1CCc2ccccc21 307082333 345799628 /nfs/dbraw/zinc/79/96/28/345799628.db2.gz AMVZRNHJLLWGKM-LBPRGKRZSA-N 0 0 191.274 2.604 10 0 AFAERN CC(C)ON[C@@H]1CCc2ccccc21 307082331 345799647 /nfs/dbraw/zinc/79/96/47/345799647.db2.gz AMVZRNHJLLWGKM-GFCCVEGCSA-N 0 0 191.274 2.604 10 0 AFAERN CC(C)SCC1CCOCC1 307083279 345799938 /nfs/dbraw/zinc/79/99/38/345799938.db2.gz KKGHNUMIHOZYEQ-UHFFFAOYSA-N 0 0 174.309 2.555 10 0 AFAERN Cc1cocc1-c1ccc(C=O)o1 307083506 345800194 /nfs/dbraw/zinc/80/01/94/345800194.db2.gz QVBABAYZDDQNLK-UHFFFAOYSA-N 0 0 176.171 2.661 10 0 AFAERN CC1(C)CCc2nc(Cl)ncc2C1 307084111 345800739 /nfs/dbraw/zinc/80/07/39/345800739.db2.gz VVPBHHHEMCKXDY-UHFFFAOYSA-N 0 0 196.681 2.645 10 0 AFAERN C[C@H]1CCCC[C@@H]1c1nc(Cl)n[nH]1 307088382 345803002 /nfs/dbraw/zinc/80/30/02/345803002.db2.gz SXIGMBJATPJRFA-BQBZGAKWSA-N 0 0 199.685 2.752 10 0 AFAERN C[C@@H]1CCCC[C@@H]1c1nc(Cl)n[nH]1 307088405 345803136 /nfs/dbraw/zinc/80/31/36/345803136.db2.gz SXIGMBJATPJRFA-RQJHMYQMSA-N 0 0 199.685 2.752 10 0 AFAERN C[C@@H]1CCCC[C@H]1c1nc(Cl)n[nH]1 307088397 345803161 /nfs/dbraw/zinc/80/31/61/345803161.db2.gz SXIGMBJATPJRFA-RNFRBKRXSA-N 0 0 199.685 2.752 10 0 AFAERN C[C@H]1CCCC[C@H]1c1nc(Cl)n[nH]1 307088391 345803173 /nfs/dbraw/zinc/80/31/73/345803173.db2.gz SXIGMBJATPJRFA-NKWVEPMBSA-N 0 0 199.685 2.752 10 0 AFAERN COc1ccc(C(=O)C2CCC2)s1 307091333 345804880 /nfs/dbraw/zinc/80/48/80/345804880.db2.gz XFBNKSKGHSCBAE-UHFFFAOYSA-N 0 0 196.271 2.740 10 0 AFAERN CC(C)C[C@@H]([NH3+])c1ccc(O)cc1F 307092575 345805837 /nfs/dbraw/zinc/80/58/37/345805837.db2.gz SDDJWVSTLPUKEF-LLVKDONJSA-N 0 0 197.253 2.577 10 0 AFAERN CC(C)C[C@H]([NH3+])c1ccc(O)cc1F 307092576 345805839 /nfs/dbraw/zinc/80/58/39/345805839.db2.gz SDDJWVSTLPUKEF-NSHDSACASA-N 0 0 197.253 2.577 10 0 AFAERN CSCC(=O)c1cc(C)cs1 307094505 345806552 /nfs/dbraw/zinc/80/65/52/345806552.db2.gz OHWJKWKHPBODQS-UHFFFAOYSA-N 0 0 186.301 2.602 10 0 AFAERN CCOc1cc(C)c(F)cc1C 307095461 345806923 /nfs/dbraw/zinc/80/69/23/345806923.db2.gz GCQJCMPIDCVXNQ-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN CCOc1c(C)cc(C)cc1OC 307096937 345807931 /nfs/dbraw/zinc/80/79/31/345807931.db2.gz DYFMYYBIQFISPL-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN Cc1cc(C)c(OC(F)F)cc1O 307098390 345808612 /nfs/dbraw/zinc/80/86/12/345808612.db2.gz GTTZNOPOFXPKBH-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN c1cc(NC2CC2)c2sccc2n1 307101299 345809993 /nfs/dbraw/zinc/80/99/93/345809993.db2.gz UUYMCNATCXYFPD-UHFFFAOYSA-N 0 0 190.271 2.871 10 0 AFAERN Cc1cc(N)c(F)cc1-c1ccoc1 307101600 345810058 /nfs/dbraw/zinc/81/00/58/345810058.db2.gz YXBDUCNBKIGNBH-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN C[C@H]1CCC[C@@H]2CC(=O)CC[C@H]12 307101481 345810412 /nfs/dbraw/zinc/81/04/12/345810412.db2.gz HVKUGIOOHNTDPS-IQJOONFLSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cscc1NCc1ccc[nH]1 307101122 345810437 /nfs/dbraw/zinc/81/04/37/345810437.db2.gz HPMSYNAORNMOAY-UHFFFAOYSA-N 0 0 192.287 2.997 10 0 AFAERN Cc1cccc(NCC2(F)CC2)c1 307107496 345813837 /nfs/dbraw/zinc/81/38/37/345813837.db2.gz ZKKATTWCBMJAOQ-UHFFFAOYSA-N 0 0 179.238 2.909 10 0 AFAERN CCC(C)(C)Nc1cnc(Cl)cn1 307109649 345815114 /nfs/dbraw/zinc/81/51/14/345815114.db2.gz MZVYWNHADMMJSX-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN Cc1ccc(N)c(C(F)(F)F)c1F 307111030 345815545 /nfs/dbraw/zinc/81/55/45/345815545.db2.gz OAZCEXKDSFMDEY-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN COc1ccc(F)c(Cl)c1C 307110686 345815557 /nfs/dbraw/zinc/81/55/57/345815557.db2.gz BWABGOHRAGFVQD-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN Cc1csc(N[C@@H]2C[C@H](C)[C@@H]2C)n1 307110885 345815599 /nfs/dbraw/zinc/81/55/99/345815599.db2.gz HUQMWZHDGMDMMP-CNUIFLNQSA-N 0 0 196.319 2.908 10 0 AFAERN Cc1csc(N[C@@H]2C[C@@H](C)[C@H]2C)n1 307110886 345815622 /nfs/dbraw/zinc/81/56/22/345815622.db2.gz HUQMWZHDGMDMMP-FTLITQJKSA-N 0 0 196.319 2.908 10 0 AFAERN Cc1csc(N[C@@H]2C[C@@H](C)[C@@H]2C)n1 307110884 345815630 /nfs/dbraw/zinc/81/56/30/345815630.db2.gz HUQMWZHDGMDMMP-BWVDBABLSA-N 0 0 196.319 2.908 10 0 AFAERN Cc1csc(N[C@@H]2C[C@H](C)[C@H]2C)n1 307110887 345815764 /nfs/dbraw/zinc/81/57/64/345815764.db2.gz HUQMWZHDGMDMMP-NBEYISGCSA-N 0 0 196.319 2.908 10 0 AFAERN C[C@@H]1C[C@H](Nc2ccc(F)nc2)[C@@H]1C 307112883 345816798 /nfs/dbraw/zinc/81/67/98/345816798.db2.gz MGNYZQHJQXVOBH-MRTMQBJTSA-N 0 0 194.253 2.677 10 0 AFAERN C[C@@H]1C[C@@H](Nc2ccc(F)nc2)[C@@H]1C 307112892 345816908 /nfs/dbraw/zinc/81/69/08/345816908.db2.gz MGNYZQHJQXVOBH-NQMVMOMDSA-N 0 0 194.253 2.677 10 0 AFAERN C[C@H]1[C@H](C)C[C@H]1Nc1ccc(F)nc1 307112881 345817010 /nfs/dbraw/zinc/81/70/10/345817010.db2.gz MGNYZQHJQXVOBH-KHQFGBGNSA-N 0 0 194.253 2.677 10 0 AFAERN C[C@@H]1[C@@H](Nc2ccc(F)nc2)C[C@H]1C 307112902 345817083 /nfs/dbraw/zinc/81/70/83/345817083.db2.gz MGNYZQHJQXVOBH-WEDXCCLWSA-N 0 0 194.253 2.677 10 0 AFAERN FCCCNc1nccc2occc12 307113377 345817102 /nfs/dbraw/zinc/81/71/02/345817102.db2.gz RGQAIYMNKDMXHH-UHFFFAOYSA-N 0 0 194.209 2.599 10 0 AFAERN CC[C@H]1CC[C@H](c2cc(N)no2)CC1 307114437 345818168 /nfs/dbraw/zinc/81/81/68/345818168.db2.gz TWRGDWXTLAPBBQ-KYZUINATSA-N 0 0 194.278 2.941 10 0 AFAERN Cc1ccsc1[C@H]([NH3+])[C@]1(C)C[C@H]1F 307115902 345818377 /nfs/dbraw/zinc/81/83/77/345818377.db2.gz DPFHTRRXQPWXEA-FKTZTGRPSA-N 0 0 199.294 2.804 10 0 AFAERN Cc1ccsc1[C@H]([NH3+])[C@@]1(C)C[C@@H]1F 307115903 345818396 /nfs/dbraw/zinc/81/83/96/345818396.db2.gz DPFHTRRXQPWXEA-HGNGGELXSA-N 0 0 199.294 2.804 10 0 AFAERN Cc1ccsc1[C@H]([NH3+])[C@]1(C)C[C@@H]1F 307115905 345818526 /nfs/dbraw/zinc/81/85/26/345818526.db2.gz DPFHTRRXQPWXEA-UJNFCWOMSA-N 0 0 199.294 2.804 10 0 AFAERN Cc1ccsc1[C@H]([NH3+])[C@@]1(C)C[C@H]1F 307115904 345818531 /nfs/dbraw/zinc/81/85/31/345818531.db2.gz DPFHTRRXQPWXEA-JEZHCXPESA-N 0 0 199.294 2.804 10 0 AFAERN C=Cc1ccc(C(=O)C2CC2)cc1 307117283 345819179 /nfs/dbraw/zinc/81/91/79/345819179.db2.gz PGGFTVWQBPGWOH-UHFFFAOYSA-N 0 0 172.227 2.922 10 0 AFAERN FCOc1cc(Cl)cc(F)c1F 307116595 345819197 /nfs/dbraw/zinc/81/91/97/345819197.db2.gz YRMJLLKNRLFZNR-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN O=C(c1ccsn1)C1CCCC1 307117707 345819711 /nfs/dbraw/zinc/81/97/11/345819711.db2.gz VAAMTKHBFPOTTF-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN Cc1cc(C(F)F)c(C)cc1O 307119744 345820106 /nfs/dbraw/zinc/82/01/06/345820106.db2.gz GXJNKFREQKNEMS-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN Cc1cocc1-c1ncc[nH]c1=S 307118977 345820143 /nfs/dbraw/zinc/82/01/43/345820143.db2.gz RHXVQJJJEJNIIT-UHFFFAOYSA-N 0 0 192.243 2.708 10 0 AFAERN Cc1oc(=S)[nH]c1[C@H]1CC1(C)C 307121736 345821461 /nfs/dbraw/zinc/82/14/61/345821461.db2.gz KCEJKPUGRLCPCQ-ZCFIWIBFSA-N 0 0 183.276 2.785 10 0 AFAERN Cc1oc(=S)[nH]c1[C@@H]1CC1(C)C 307121735 345821532 /nfs/dbraw/zinc/82/15/32/345821532.db2.gz KCEJKPUGRLCPCQ-LURJTMIESA-N 0 0 183.276 2.785 10 0 AFAERN O=C1CCCCC[C@H]1c1ccns1 307123321 345822687 /nfs/dbraw/zinc/82/26/87/345822687.db2.gz OBEUZRRPZSPDAN-MRVPVSSYSA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCCC[C@@H]1c1ccns1 307123322 345822926 /nfs/dbraw/zinc/82/29/26/345822926.db2.gz OBEUZRRPZSPDAN-QMMMGPOBSA-N 0 0 195.287 2.760 10 0 AFAERN Cc1cc(C)c(C(=O)C2CCC2)cn1 307124073 345823298 /nfs/dbraw/zinc/82/32/98/345823298.db2.gz QIVZVUQFZCDEAY-UHFFFAOYSA-N 0 0 189.258 2.681 10 0 AFAERN Cc1scc(-c2cc(N)on2)c1C 307126416 345824852 /nfs/dbraw/zinc/82/48/52/345824852.db2.gz CVAQBVWCVBQAOR-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN Cc1csc(C(=O)c2ccco2)c1 307127451 345825684 /nfs/dbraw/zinc/82/56/84/345825684.db2.gz CKHDXGZOJWUWIK-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN O=C1CCCCC[C@H]1c1ccc[nH]1 307128398 345825983 /nfs/dbraw/zinc/82/59/83/345825983.db2.gz FCXMVQZXKSAMLD-VIFPVBQESA-N 0 0 177.247 2.632 10 0 AFAERN Cc1c[nH+]c(NCC(C)C)c(C)c1 307128598 345826011 /nfs/dbraw/zinc/82/60/11/345826011.db2.gz JLRBEALIQNIQIY-UHFFFAOYSA-N 0 0 178.279 2.766 10 0 AFAERN Cc1oncc1NCc1ccsc1 307127864 345826207 /nfs/dbraw/zinc/82/62/07/345826207.db2.gz CVJSSPPHQLTXQW-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN O=C1CCCCC[C@@H]1c1ccc[nH]1 307128392 345826312 /nfs/dbraw/zinc/82/63/12/345826312.db2.gz FCXMVQZXKSAMLD-SECBINFHSA-N 0 0 177.247 2.632 10 0 AFAERN CCc1cc(F)c(Cl)cc1N 307129035 345826580 /nfs/dbraw/zinc/82/65/80/345826580.db2.gz FLAUECBHLKJEAX-UHFFFAOYSA-N 0 0 173.618 2.624 10 0 AFAERN CC(C)(C1CCC1)n1cc[nH]c1=S 307129798 345826871 /nfs/dbraw/zinc/82/68/71/345826871.db2.gz YCXGENMSNSDDEY-UHFFFAOYSA-N 0 0 196.319 2.707 10 0 AFAERN Clc1cc2c(nn1)C1CCC2CC1 307130697 345827500 /nfs/dbraw/zinc/82/75/00/345827500.db2.gz KUZLYTDGYOIFRB-UHFFFAOYSA-N 0 0 194.665 2.885 10 0 AFAERN C[C@@H]1CCC[C@@H](C[C@@H](O)C(F)F)C1 307131682 345827743 /nfs/dbraw/zinc/82/77/43/345827743.db2.gz HBXITZLGRAOIPN-IWSPIJDZSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@@H]1CCC[C@H](C[C@@H](O)C(F)F)C1 307131681 345827794 /nfs/dbraw/zinc/82/77/94/345827794.db2.gz HBXITZLGRAOIPN-HRDYMLBCSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)Nc1ncc2ccsc2n1 307131547 345827799 /nfs/dbraw/zinc/82/77/99/345827799.db2.gz UFAFPCBURQMGQX-UHFFFAOYSA-N 0 0 193.275 2.512 10 0 AFAERN C[C@@H]1CCC[C@@H](C[C@H](O)C(F)F)C1 307131680 345827986 /nfs/dbraw/zinc/82/79/86/345827986.db2.gz HBXITZLGRAOIPN-HLTSFMKQSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@@H]1CCC[C@H](C[C@H](O)C(F)F)C1 307131683 345828096 /nfs/dbraw/zinc/82/80/96/345828096.db2.gz HBXITZLGRAOIPN-VGMNWLOBSA-N 0 0 192.249 2.829 10 0 AFAERN CCC1(Nc2cc(C)ccn2)CC1 307131894 345828793 /nfs/dbraw/zinc/82/87/93/345828793.db2.gz LOMMHKVPNZHMMX-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1nc(CO)cs1 307135794 345830801 /nfs/dbraw/zinc/83/08/01/345830801.db2.gz RTQSEGIIPFCGAQ-APPZFPTMSA-N 0 0 197.303 2.539 10 0 AFAERN C[C@H]1CCC[C@H]1c1nc(CO)cs1 307135796 345830999 /nfs/dbraw/zinc/83/09/99/345830999.db2.gz RTQSEGIIPFCGAQ-IONNQARKSA-N 0 0 197.303 2.539 10 0 AFAERN C[C@H]1CCC[C@@H]1c1nc(CO)cs1 307135795 345831080 /nfs/dbraw/zinc/83/10/80/345831080.db2.gz RTQSEGIIPFCGAQ-CBAPKCEASA-N 0 0 197.303 2.539 10 0 AFAERN C[C@@H]1CCC[C@H]1c1nc(CO)cs1 307135797 345831172 /nfs/dbraw/zinc/83/11/72/345831172.db2.gz RTQSEGIIPFCGAQ-VXNVDRBHSA-N 0 0 197.303 2.539 10 0 AFAERN S=c1[nH]c2c([nH]1)C1(CCCC1)CC2 307137523 345831811 /nfs/dbraw/zinc/83/18/11/345831811.db2.gz XFLNLDPYSFXOHI-UHFFFAOYSA-N 0 0 194.303 2.830 10 0 AFAERN c1ccc(N[C@H]2CC[C@H]3C[C@H]32)cc1 307137518 345832162 /nfs/dbraw/zinc/83/21/62/345832162.db2.gz XFDXOVIWRKCOPV-WCQGTBRESA-N 0 0 173.259 2.897 10 0 AFAERN CCN(C#N)c1cccc(Cl)c1 307138791 345832437 /nfs/dbraw/zinc/83/24/37/345832437.db2.gz AKCGXILXIJYMRV-UHFFFAOYSA-N 0 0 180.638 2.647 10 0 AFAERN S=C1N=C2C(CCC23CCCC3)O1 307140246 345833962 /nfs/dbraw/zinc/83/39/62/345833962.db2.gz CDATXUNPFUXNGG-UHFFFAOYSA-N 0 0 195.287 2.721 10 0 AFAERN Cc1ncn([C@@H]2CC[C@H](C)C2)c1C 307142971 345836361 /nfs/dbraw/zinc/83/63/61/345836361.db2.gz FGSVDBWOSNQQGS-GZMMTYOYSA-N 0 0 178.279 2.861 10 0 AFAERN Cc1ncn([C@@H]2CC[C@@H](C)C2)c1C 307142974 345836460 /nfs/dbraw/zinc/83/64/60/345836460.db2.gz FGSVDBWOSNQQGS-LDYMZIIASA-N 0 0 178.279 2.861 10 0 AFAERN Cc1ncn([C@H]2CC[C@@H](C)C2)c1C 307142972 345836488 /nfs/dbraw/zinc/83/64/88/345836488.db2.gz FGSVDBWOSNQQGS-KCJUWKMLSA-N 0 0 178.279 2.861 10 0 AFAERN Cc1ncn([C@H]2CC[C@H](C)C2)c1C 307142973 345836544 /nfs/dbraw/zinc/83/65/44/345836544.db2.gz FGSVDBWOSNQQGS-KWQFWETISA-N 0 0 178.279 2.861 10 0 AFAERN CN(c1ccnc(Cl)c1)C(C)(C)C 307144603 345838313 /nfs/dbraw/zinc/83/83/13/345838313.db2.gz ICYHTIVIMDUBFY-UHFFFAOYSA-N 0 0 198.697 2.970 10 0 AFAERN Cc1cocc1[C@H]([NH3+])[C@H]1CC1(C)C 307147929 345840629 /nfs/dbraw/zinc/84/06/29/345840629.db2.gz OVRHCDBFKDUGJU-ZJUUUORDSA-N 0 0 179.263 2.634 10 0 AFAERN Cc1cocc1[C@@H]([NH3+])[C@@H]1CC1(C)C 307147927 345840659 /nfs/dbraw/zinc/84/06/59/345840659.db2.gz OVRHCDBFKDUGJU-VHSXEESVSA-N 0 0 179.263 2.634 10 0 AFAERN Cc1ccc2[nH]c(C(C)(F)F)nc2c1 307147797 345840670 /nfs/dbraw/zinc/84/06/70/345840670.db2.gz IEDDJGAJUPCJJZ-UHFFFAOYSA-N 0 0 196.200 2.983 10 0 AFAERN Cc1cocc1[C@@H]([NH3+])[C@H]1CC1(C)C 307147924 345840699 /nfs/dbraw/zinc/84/06/99/345840699.db2.gz OVRHCDBFKDUGJU-NXEZZACHSA-N 0 0 179.263 2.634 10 0 AFAERN Cc1cocc1[C@H]([NH3+])[C@@H]1CC1(C)C 307147926 345840901 /nfs/dbraw/zinc/84/09/01/345840901.db2.gz OVRHCDBFKDUGJU-UWVGGRQHSA-N 0 0 179.263 2.634 10 0 AFAERN COc1ccc([C@H]2CCC(=O)C2)s1 307151612 345844207 /nfs/dbraw/zinc/84/42/07/345844207.db2.gz DXDDBZVKMXTDSI-ZETCQYMHSA-N 0 0 196.271 2.593 10 0 AFAERN COc1ccc([C@@H]2CCC(=O)C2)s1 307151611 345844251 /nfs/dbraw/zinc/84/42/51/345844251.db2.gz DXDDBZVKMXTDSI-SSDOTTSWSA-N 0 0 196.271 2.593 10 0 AFAERN Oc1cccc(N[C@@H]2CC[C@@H]3C[C@@H]32)c1 307152050 345844809 /nfs/dbraw/zinc/84/48/09/345844809.db2.gz XAJCEPOGJWPAPB-JFUSQASVSA-N 0 0 189.258 2.603 10 0 AFAERN Oc1cccc(N[C@H]2CC[C@@H]3C[C@H]23)c1 307152051 345844908 /nfs/dbraw/zinc/84/49/08/345844908.db2.gz XAJCEPOGJWPAPB-ZHAHWJHGSA-N 0 0 189.258 2.603 10 0 AFAERN Cc1cn([C@@H]2C[C@@H](C)[C@H]2C)c(=S)[nH]1 307152229 345844984 /nfs/dbraw/zinc/84/49/84/345844984.db2.gz XOUACQXLZMLFPE-FTLITQJKSA-N 0 0 196.319 2.697 10 0 AFAERN Cc1cn([C@@H]2C[C@@H](C)[C@@H]2C)c(=S)[nH]1 307152227 345845006 /nfs/dbraw/zinc/84/50/06/345845006.db2.gz XOUACQXLZMLFPE-BWVDBABLSA-N 0 0 196.319 2.697 10 0 AFAERN Cc1cn([C@@H]2C[C@H](C)[C@H]2C)c(=S)[nH]1 307152230 345845190 /nfs/dbraw/zinc/84/51/90/345845190.db2.gz XOUACQXLZMLFPE-NBEYISGCSA-N 0 0 196.319 2.697 10 0 AFAERN Cc1cn([C@@H]2C[C@H](C)[C@@H]2C)c(=S)[nH]1 307152228 345845291 /nfs/dbraw/zinc/84/52/91/345845291.db2.gz XOUACQXLZMLFPE-CNUIFLNQSA-N 0 0 196.319 2.697 10 0 AFAERN CC[C@H]1CCC[C@@H]1Nc1ncns1 307153459 345845687 /nfs/dbraw/zinc/84/56/87/345845687.db2.gz BVRUESIOFSMOLZ-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@@H]1CCC[C@H]1Nc1ncns1 307153444 345845720 /nfs/dbraw/zinc/84/57/20/345845720.db2.gz BVRUESIOFSMOLZ-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@@H]1CCC[C@@H]1Nc1ncns1 307153455 345845787 /nfs/dbraw/zinc/84/57/87/345845787.db2.gz BVRUESIOFSMOLZ-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@H]1CCC[C@H]1Nc1ncns1 307153451 345845802 /nfs/dbraw/zinc/84/58/02/345845802.db2.gz BVRUESIOFSMOLZ-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN CC(C)(C)CCC1=NC(=O)CS1 307152712 345845899 /nfs/dbraw/zinc/84/58/99/345845899.db2.gz AIPLAFFMAZUNPP-UHFFFAOYSA-N 0 0 185.292 2.827 10 0 AFAERN CCc1cc2scc(C)c2nc1N 307153224 345845934 /nfs/dbraw/zinc/84/59/34/345845934.db2.gz ZTURJLRGLJTGNV-UHFFFAOYSA-N 0 0 192.287 2.749 10 0 AFAERN Clc1nnc(CCC2CC2)s1 307154608 345846959 /nfs/dbraw/zinc/84/69/59/345846959.db2.gz UWOIMLOTKXXJEZ-UHFFFAOYSA-N 0 0 188.683 2.534 10 0 AFAERN S=c1cc[nH]c(-c2cscn2)c1 307155621 345847727 /nfs/dbraw/zinc/84/77/27/345847727.db2.gz FCBOHBDVLJWJPW-UHFFFAOYSA-N 0 0 194.284 2.868 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)c1ccsn1 307156147 345848314 /nfs/dbraw/zinc/84/83/14/345848314.db2.gz WLVZRCODNFHUKM-JGVFFNPUSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)c1ccsn1 307156149 345848523 /nfs/dbraw/zinc/84/85/23/345848523.db2.gz WLVZRCODNFHUKM-SFYZADRCSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)c1ccsn1 307156151 345848562 /nfs/dbraw/zinc/84/85/62/345848562.db2.gz WLVZRCODNFHUKM-YUMQZZPRSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)c1ccsn1 307156146 345848566 /nfs/dbraw/zinc/84/85/66/345848566.db2.gz WLVZRCODNFHUKM-HTQZYQBOSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1Cc2nc(Cl)ncc2[C@H](C)C1 307159175 345850939 /nfs/dbraw/zinc/85/09/39/345850939.db2.gz JBRVWLUCFZPDNW-RNFRBKRXSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@@H]1Cc2nc(Cl)ncc2[C@H](C)C1 307159174 345850959 /nfs/dbraw/zinc/85/09/59/345850959.db2.gz JBRVWLUCFZPDNW-NKWVEPMBSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2nc(Cl)ncc21 307159176 345851260 /nfs/dbraw/zinc/85/12/60/345851260.db2.gz JBRVWLUCFZPDNW-RQJHMYQMSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@@H]1Cc2nc(Cl)ncc2[C@@H](C)C1 307159173 345851287 /nfs/dbraw/zinc/85/12/87/345851287.db2.gz JBRVWLUCFZPDNW-BQBZGAKWSA-N 0 0 196.681 2.816 10 0 AFAERN Cc1ccc([C@@H](N)C(C)(F)F)c(C)c1 307159910 345851597 /nfs/dbraw/zinc/85/15/97/345851597.db2.gz CSCWXYHFJDYSIO-SNVBAGLBSA-N 0 0 199.244 2.958 10 0 AFAERN O[C@H](c1cscn1)[C@H]1CC=CCC1 307159527 345851712 /nfs/dbraw/zinc/85/17/12/345851712.db2.gz JIHBPVSNKMSNLP-WPRPVWTQSA-N 0 0 195.287 2.533 10 0 AFAERN O[C@@H](c1cscn1)[C@@H]1CC=CCC1 307159521 345851809 /nfs/dbraw/zinc/85/18/09/345851809.db2.gz JIHBPVSNKMSNLP-PSASIEDQSA-N 0 0 195.287 2.533 10 0 AFAERN O[C@H](c1cscn1)[C@@H]1CC=CCC1 307159525 345851835 /nfs/dbraw/zinc/85/18/35/345851835.db2.gz JIHBPVSNKMSNLP-SCZZXKLOSA-N 0 0 195.287 2.533 10 0 AFAERN Cc1ccc([C@H](N)C(C)(F)F)c(C)c1 307159908 345851847 /nfs/dbraw/zinc/85/18/47/345851847.db2.gz CSCWXYHFJDYSIO-JTQLQIEISA-N 0 0 199.244 2.958 10 0 AFAERN O[C@@H](c1cscn1)[C@H]1CC=CCC1 307159526 345852071 /nfs/dbraw/zinc/85/20/71/345852071.db2.gz JIHBPVSNKMSNLP-WCBMZHEXSA-N 0 0 195.287 2.533 10 0 AFAERN Cc1[nH]c(=S)[nH]c1C(C)(C)C 307159938 345852078 /nfs/dbraw/zinc/85/20/78/345852078.db2.gz VKIRLFAQOUXGCU-UHFFFAOYSA-N 0 0 170.281 2.678 10 0 AFAERN CCc1sc(N)nc1[C@@H]1CC1(C)C 307160608 345852371 /nfs/dbraw/zinc/85/23/71/345852371.db2.gz DUZQQFMVAZJBJE-LURJTMIESA-N 0 0 196.319 2.801 10 0 AFAERN Cc1cc(C(=O)C(C)(F)F)oc1C 307160130 345852381 /nfs/dbraw/zinc/85/23/81/345852381.db2.gz JRPIUDNLIUBRQZ-UHFFFAOYSA-N 0 0 188.173 2.734 10 0 AFAERN Cc1[nH]c(=S)oc1CC(C)(C)C 307160404 345852398 /nfs/dbraw/zinc/85/23/98/345852398.db2.gz DJJFWQOBILKEMI-UHFFFAOYSA-N 0 0 185.292 2.860 10 0 AFAERN CCc1sc(N)nc1[C@H]1CC1(C)C 307160611 345852536 /nfs/dbraw/zinc/85/25/36/345852536.db2.gz DUZQQFMVAZJBJE-ZCFIWIBFSA-N 0 0 196.319 2.801 10 0 AFAERN Cc1csc(N)c1C(=O)C(C)(C)C 307160822 345852685 /nfs/dbraw/zinc/85/26/85/345852685.db2.gz FGECYXSTKSOXNF-UHFFFAOYSA-N 0 0 197.303 2.868 10 0 AFAERN CCC(=O)[C@@H]1CCCC12CCC2 307161562 345853158 /nfs/dbraw/zinc/85/31/58/345853158.db2.gz GLIDZZBTYPDBMX-VIFPVBQESA-N 0 0 166.264 2.936 10 0 AFAERN CCC(=O)[C@H]1CCCC12CCC2 307161561 345853353 /nfs/dbraw/zinc/85/33/53/345853353.db2.gz GLIDZZBTYPDBMX-SECBINFHSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1ccc(OC(F)F)c(O)c1C 307161534 345853360 /nfs/dbraw/zinc/85/33/60/345853360.db2.gz GHMQKJMOCMOOJX-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN Cc1ccnc(N[C@@H]2C[C@H]2C)c1Cl 307160887 345853464 /nfs/dbraw/zinc/85/34/64/345853464.db2.gz KEZKMPOODMBVDS-HTQZYQBOSA-N 0 0 196.681 2.864 10 0 AFAERN CCc1c(F)cc(OC)c(F)c1F 307162959 345854736 /nfs/dbraw/zinc/85/47/36/345854736.db2.gz HWSZQHTUJOESLZ-UHFFFAOYSA-N 0 0 190.164 2.675 10 0 AFAERN C[C@]1(C(=O)c2cccs2)C[C@H]1F 307162984 345854780 /nfs/dbraw/zinc/85/47/80/345854780.db2.gz IUVWHSBSJWJXKQ-APPZFPTMSA-N 0 0 184.235 2.679 10 0 AFAERN CC(F)(F)C(=O)c1cccs1 307163150 345854822 /nfs/dbraw/zinc/85/48/22/345854822.db2.gz LPMFYEVGBNCWOD-UHFFFAOYSA-N 0 0 176.187 2.586 10 0 AFAERN C[C@]1(C(=O)c2cccs2)C[C@@H]1F 307162993 345854947 /nfs/dbraw/zinc/85/49/47/345854947.db2.gz IUVWHSBSJWJXKQ-CBAPKCEASA-N 0 0 184.235 2.679 10 0 AFAERN C[C@@]1(C(=O)c2cccs2)C[C@@H]1F 307163414 345855544 /nfs/dbraw/zinc/85/55/44/345855544.db2.gz IUVWHSBSJWJXKQ-IONNQARKSA-N 0 0 184.235 2.679 10 0 AFAERN C[C@@]1(C(=O)c2cccs2)C[C@H]1F 307163415 345855620 /nfs/dbraw/zinc/85/56/20/345855620.db2.gz IUVWHSBSJWJXKQ-VXNVDRBHSA-N 0 0 184.235 2.679 10 0 AFAERN Cc1ccc(N)c(N[C@H]2CC[C@@H]2C)c1 307164039 345856182 /nfs/dbraw/zinc/85/61/82/345856182.db2.gz GGDFDAWUOIVEKT-ONGXEEELSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(N)c(N[C@@H]2CC[C@H]2C)c1 307164038 345856270 /nfs/dbraw/zinc/85/62/70/345856270.db2.gz GGDFDAWUOIVEKT-MWLCHTKSSA-N 0 0 190.290 2.788 10 0 AFAERN Oc1cncc(C2=CCCCC2)c1 307164635 345856320 /nfs/dbraw/zinc/85/63/20/345856320.db2.gz MNQSHRBRTTZYIK-UHFFFAOYSA-N 0 0 175.231 2.745 10 0 AFAERN Cc1ccc(N)c(N[C@@H]2CC[C@@H]2C)c1 307164033 345856474 /nfs/dbraw/zinc/85/64/74/345856474.db2.gz GGDFDAWUOIVEKT-GXSJLCMTSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(N)c(N[C@H]2CC[C@H]2C)c1 307164036 345856496 /nfs/dbraw/zinc/85/64/96/345856496.db2.gz GGDFDAWUOIVEKT-KOLCDFICSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1cc(Cl)cc(F)c1C=O 307165073 345856870 /nfs/dbraw/zinc/85/68/70/345856870.db2.gz MUXMHYUMXIXLAC-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN CCOC(=O)c1cscc1Cl 307164814 345856972 /nfs/dbraw/zinc/85/69/72/345856972.db2.gz HROLKTNYTCOTKH-UHFFFAOYSA-N 0 0 190.651 2.578 10 0 AFAERN C[C@@H](c1noc(Cl)n1)C(C)(C)C 307164764 345857019 /nfs/dbraw/zinc/85/70/19/345857019.db2.gz HLLALXHXWCLHHZ-YFKPBYRVSA-N 0 0 188.658 2.873 10 0 AFAERN C[C@H](c1noc(Cl)n1)C(C)(C)C 307164763 345857025 /nfs/dbraw/zinc/85/70/25/345857025.db2.gz HLLALXHXWCLHHZ-RXMQYKEDSA-N 0 0 188.658 2.873 10 0 AFAERN Cc1cc2cc(C=O)oc2cc1F 307165886 345857713 /nfs/dbraw/zinc/85/77/13/345857713.db2.gz NBQIDAPBTATPEP-UHFFFAOYSA-N 0 0 178.162 2.693 10 0 AFAERN CCc1nc([C@H](O)C(C)(C)C)cs1 307166733 345859328 /nfs/dbraw/zinc/85/93/28/345859328.db2.gz PSZNUTNNNFSYIV-VIFPVBQESA-N 0 0 199.319 2.785 10 0 AFAERN CCc1nc([C@@H](O)C(C)(C)C)cs1 307166732 345859336 /nfs/dbraw/zinc/85/93/36/345859336.db2.gz PSZNUTNNNFSYIV-SECBINFHSA-N 0 0 199.319 2.785 10 0 AFAERN O[C@@]1(c2ccco2)CCCC12CCC2 307168010 345860389 /nfs/dbraw/zinc/86/03/89/345860389.db2.gz TXGCUDXCOIAMJV-GFCCVEGCSA-N 0 0 192.258 2.821 10 0 AFAERN O[C@]1(c2ccco2)CCCC12CCC2 307168011 345860662 /nfs/dbraw/zinc/86/06/62/345860662.db2.gz TXGCUDXCOIAMJV-LBPRGKRZSA-N 0 0 192.258 2.821 10 0 AFAERN Cc1cc(C=O)cc(F)c1Cl 307168456 345861229 /nfs/dbraw/zinc/86/12/29/345861229.db2.gz VCUMCJLAEOFVEZ-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN CC1CC(C(=O)Nc2ccsc2)C1 307169376 345862346 /nfs/dbraw/zinc/86/23/46/345862346.db2.gz XZVMLRMEGWFCOF-UHFFFAOYSA-N 0 0 195.287 2.733 10 0 AFAERN Clc1ncc2c(n1)C1CCC2CC1 307169780 345862457 /nfs/dbraw/zinc/86/24/57/345862457.db2.gz ZCHXNSXSIOBIKE-UHFFFAOYSA-N 0 0 194.665 2.885 10 0 AFAERN CCSc1cc(C)c(C)cc1N 307170010 345862817 /nfs/dbraw/zinc/86/28/17/345862817.db2.gz ZOWWXJUYTMUVLV-UHFFFAOYSA-N 0 0 181.304 2.998 10 0 AFAERN CC[C@@H]1C[C@]1(O)[C@H]1CCC[C@H](C)C1 307170108 345862869 /nfs/dbraw/zinc/86/28/69/345862869.db2.gz ZXIJGTLKFGRSLJ-WHOHXGKFSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1ccncc1Cl 307170023 345862872 /nfs/dbraw/zinc/86/28/72/345862872.db2.gz ZPVDHVXZCHTACX-VXNVDRBHSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1ccncc1Cl 307170020 345862881 /nfs/dbraw/zinc/86/28/81/345862881.db2.gz ZPVDHVXZCHTACX-APPZFPTMSA-N 0 0 196.681 2.945 10 0 AFAERN CC[C@@H]1C[C@]1(O)[C@@H]1CCC[C@H](C)C1 307170107 345862960 /nfs/dbraw/zinc/86/29/60/345862960.db2.gz ZXIJGTLKFGRSLJ-IRCOFANPSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@@H]1C[C@]1(O)[C@@H]1CCC[C@@H](C)C1 307170106 345862999 /nfs/dbraw/zinc/86/29/99/345862999.db2.gz ZXIJGTLKFGRSLJ-DDHJBXDOSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@@H]1C[C@]1(O)[C@H]1CCC[C@@H](C)C1 307170109 345863013 /nfs/dbraw/zinc/86/30/13/345863013.db2.gz ZXIJGTLKFGRSLJ-WISYIIOYSA-N 0 0 182.307 2.974 10 0 AFAERN Clc1cc(N2CC=CCC2)ccn1 307170287 345863025 /nfs/dbraw/zinc/86/30/25/345863025.db2.gz GQMKSFOJUWNCGL-UHFFFAOYSA-N 0 0 194.665 2.501 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1ccncc1Cl 307170021 345863059 /nfs/dbraw/zinc/86/30/59/345863059.db2.gz ZPVDHVXZCHTACX-CBAPKCEASA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CC[C@H]1Nc1ccncc1Cl 307170022 345863069 /nfs/dbraw/zinc/86/30/69/345863069.db2.gz ZPVDHVXZCHTACX-IONNQARKSA-N 0 0 196.681 2.945 10 0 AFAERN CNc1nc2c(C)csc2cc1C 307170611 345863746 /nfs/dbraw/zinc/86/37/46/345863746.db2.gz AYQQLEUXSWCBAL-UHFFFAOYSA-N 0 0 192.287 2.955 10 0 AFAERN CSCOc1ccc(F)cc1 307172117 345864162 /nfs/dbraw/zinc/86/41/62/345864162.db2.gz HNTGCEUACLWPBP-UHFFFAOYSA-N 0 0 172.224 2.525 10 0 AFAERN Cc1nc2c(F)c(Cl)ccc2[nH]1 307172357 345864337 /nfs/dbraw/zinc/86/43/37/345864337.db2.gz MPSYUAQILKCWFY-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN COc1c(Cl)cc(F)c(F)c1F 307173481 345864655 /nfs/dbraw/zinc/86/46/55/345864655.db2.gz ROYSVRXOPPCQRC-UHFFFAOYSA-N 0 0 196.555 2.766 10 0 AFAERN Cc1c(N)noc1[C@H](C)C(C)(C)C 307173616 345864699 /nfs/dbraw/zinc/86/46/99/345864699.db2.gz PGFKICXJMQCITF-ZETCQYMHSA-N 0 0 182.267 2.715 10 0 AFAERN Cc1c(N)noc1[C@@H](C)C(C)(C)C 307173614 345864894 /nfs/dbraw/zinc/86/48/94/345864894.db2.gz PGFKICXJMQCITF-SSDOTTSWSA-N 0 0 182.267 2.715 10 0 AFAERN OC1(c2ccc[nH]2)CCCCCC1 307173995 345865497 /nfs/dbraw/zinc/86/54/97/345865497.db2.gz SHSFNPXXWVZECF-UHFFFAOYSA-N 0 0 179.263 2.557 10 0 AFAERN Cc1ccsc1[C@H](N)C(C)(F)F 307174543 345865951 /nfs/dbraw/zinc/86/59/51/345865951.db2.gz UMGTVLRHLIANSI-ZETCQYMHSA-N 0 0 191.246 2.712 10 0 AFAERN Cc1ccsc1[C@@H](N)C(C)(F)F 307174541 345866009 /nfs/dbraw/zinc/86/60/09/345866009.db2.gz UMGTVLRHLIANSI-SSDOTTSWSA-N 0 0 191.246 2.712 10 0 AFAERN S=C1N=NC(C2=CCCCC2)S1 307175132 345866039 /nfs/dbraw/zinc/86/60/39/345866039.db2.gz RWPPHEMNFZESDB-UHFFFAOYSA-N 0 0 198.316 2.784 10 0 AFAERN CNc1cccc(OC(F)F)c1C 307175317 345866187 /nfs/dbraw/zinc/86/61/87/345866187.db2.gz FUVSRXWSSAFRGK-UHFFFAOYSA-N 0 0 187.189 2.638 10 0 AFAERN CCc1nc2c(F)c(Cl)ccc2[nH]1 307174893 345866237 /nfs/dbraw/zinc/86/62/37/345866237.db2.gz RGVCMPDXIKAZIG-UHFFFAOYSA-N 0 0 198.628 2.918 10 0 AFAERN Cc1sc(N)nc1[C@@H]1CC1(C)C 307176684 345866657 /nfs/dbraw/zinc/86/66/57/345866657.db2.gz YVRGJOQSCJZXBX-LURJTMIESA-N 0 0 182.292 2.547 10 0 AFAERN Cc1sc(N)nc1[C@H]1CC1(C)C 307176685 345866897 /nfs/dbraw/zinc/86/68/97/345866897.db2.gz YVRGJOQSCJZXBX-ZCFIWIBFSA-N 0 0 182.292 2.547 10 0 AFAERN CC[C@@]1(C)C[C@H]1Nc1nccs1 307177124 345867188 /nfs/dbraw/zinc/86/71/88/345867188.db2.gz VZGMWCREPOZWDV-APPZFPTMSA-N 0 0 182.292 2.744 10 0 AFAERN CC[C@]1(C)C[C@@H]1Nc1nccs1 307177126 345867238 /nfs/dbraw/zinc/86/72/38/345867238.db2.gz VZGMWCREPOZWDV-IONNQARKSA-N 0 0 182.292 2.744 10 0 AFAERN CC[C@]1(C)C[C@H]1Nc1nccs1 307177127 345867266 /nfs/dbraw/zinc/86/72/66/345867266.db2.gz VZGMWCREPOZWDV-VXNVDRBHSA-N 0 0 182.292 2.744 10 0 AFAERN CC[C@@]1(C)C[C@@H]1Nc1nccs1 307177125 345867453 /nfs/dbraw/zinc/86/74/53/345867453.db2.gz VZGMWCREPOZWDV-CBAPKCEASA-N 0 0 182.292 2.744 10 0 AFAERN Oc1ccc(-c2ccns2)c(F)c1 307177281 345867494 /nfs/dbraw/zinc/86/74/94/345867494.db2.gz HRXPFFOXVXORHO-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CSc1cc(F)c(F)cc1C 307177749 345868015 /nfs/dbraw/zinc/86/80/15/345868015.db2.gz WYQPXUKWHXRWFQ-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN C[C@@H]1CC=C(c2ccc(C[NH3+])o2)CC1 307178407 345868493 /nfs/dbraw/zinc/86/84/93/345868493.db2.gz IZOMTSZJXOBWEF-SECBINFHSA-N 0 0 191.274 2.942 10 0 AFAERN FCOc1cc(F)c(Cl)cc1F 307178657 345868496 /nfs/dbraw/zinc/86/84/96/345868496.db2.gz KOXOLHLURCSBJL-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN C[C@H]1CC=C(c2ccc(C[NH3+])o2)CC1 307178408 345868651 /nfs/dbraw/zinc/86/86/51/345868651.db2.gz IZOMTSZJXOBWEF-VIFPVBQESA-N 0 0 191.274 2.942 10 0 AFAERN Fc1cc(C(F)(F)F)cc(=S)[nH]1 307180588 345869901 /nfs/dbraw/zinc/86/99/01/345869901.db2.gz OKQLJYDENOCESM-UHFFFAOYSA-N 0 0 197.156 2.528 10 0 AFAERN CCNc1nccc2oc(C)cc12 307180873 345870236 /nfs/dbraw/zinc/87/02/36/345870236.db2.gz LXCCETZQKDQJJS-UHFFFAOYSA-N 0 0 176.219 2.568 10 0 AFAERN COc1c(C)nc(C(C)C)[nH]c1=S 307181666 345871182 /nfs/dbraw/zinc/87/11/82/345871182.db2.gz NIHUVAICSNXGHW-UHFFFAOYSA-N 0 0 198.291 2.580 10 0 AFAERN Cc1cc(O)cc(OC(F)F)c1C 307184089 345872614 /nfs/dbraw/zinc/87/26/14/345872614.db2.gz ZXDYTAPTDZASFN-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN C[C@@H]1CC[C@H]([C@@H]([NH3+])c2ccsn2)C1 307184599 345873001 /nfs/dbraw/zinc/87/30/01/345873001.db2.gz FJOVOZFQLZEOEV-KHQFGBGNSA-N 0 0 196.319 2.579 10 0 AFAERN CCC[C@@H](O)c1ccc(N)cc1Cl 307186032 345873685 /nfs/dbraw/zinc/87/36/85/345873685.db2.gz KTKPDVPYQXFFIL-SNVBAGLBSA-N 0 0 199.681 2.756 10 0 AFAERN CCc1cc(F)c(F)c(OC)c1F 307185281 345873898 /nfs/dbraw/zinc/87/38/98/345873898.db2.gz HUCVFLLVMFPEIY-UHFFFAOYSA-N 0 0 190.164 2.675 10 0 AFAERN CCC[C@H](O)c1ccc(N)cc1Cl 307186031 345873904 /nfs/dbraw/zinc/87/39/04/345873904.db2.gz KTKPDVPYQXFFIL-JTQLQIEISA-N 0 0 199.681 2.756 10 0 AFAERN O=Cc1c(F)cc(F)c(F)c1Cl 307186861 345874458 /nfs/dbraw/zinc/87/44/58/345874458.db2.gz NMQXOUVENMYKHA-UHFFFAOYSA-N 0 0 194.539 2.570 10 0 AFAERN Cc1cc([C@@H]2CCCC(=O)C2)sn1 307187313 345874892 /nfs/dbraw/zinc/87/48/92/345874892.db2.gz ORFGEXQVJSXHNF-MRVPVSSYSA-N 0 0 195.287 2.678 10 0 AFAERN CCCC(=O)[C@@H]1CCC1(C)C 307187307 345874967 /nfs/dbraw/zinc/87/49/67/345874967.db2.gz OQMYUWVPADTLLN-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC(=O)[C@H]1CCC1(C)C 307187306 345875081 /nfs/dbraw/zinc/87/50/81/345875081.db2.gz OQMYUWVPADTLLN-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc([C@H]2CCCC(=O)C2)sn1 307187314 345875122 /nfs/dbraw/zinc/87/51/22/345875122.db2.gz ORFGEXQVJSXHNF-QMMMGPOBSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1ccccc1NCC1(F)CC1 307187601 345875221 /nfs/dbraw/zinc/87/52/21/345875221.db2.gz AAUPYWWPVFBAHR-UHFFFAOYSA-N 0 0 179.238 2.909 10 0 AFAERN Cc1cc(C(F)(F)F)c(N)cc1F 307189857 345876633 /nfs/dbraw/zinc/87/66/33/345876633.db2.gz VMKRRPREPSXNTL-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN CSc1c(F)ccc(F)c1C 307190691 345876769 /nfs/dbraw/zinc/87/67/69/345876769.db2.gz YMRKJCRPLDMPML-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN CCCc1cc(C)c(F)cc1N 307192887 345878415 /nfs/dbraw/zinc/87/84/15/345878415.db2.gz DPHPIJXRONISAJ-UHFFFAOYSA-N 0 0 167.227 2.669 10 0 AFAERN CC(C)Cc1c(N)noc1C1(C)CC1 307193064 345879283 /nfs/dbraw/zinc/87/92/83/345879283.db2.gz NBZBALAVCWNTST-UHFFFAOYSA-N 0 0 194.278 2.507 10 0 AFAERN S=c1cncc(C2=CCCC2)[nH]1 307193123 345879286 /nfs/dbraw/zinc/87/92/86/345879286.db2.gz FJOFGFQEJRXBEM-UHFFFAOYSA-N 0 0 178.260 2.706 10 0 AFAERN CC1(C[C@@H]2CCCC2=O)CCC1 307194595 345880710 /nfs/dbraw/zinc/88/07/10/345880710.db2.gz JRELSCNBIIXUJK-VIFPVBQESA-N 0 0 166.264 2.936 10 0 AFAERN CC1(C[C@H]2CCCC2=O)CCC1 307194594 345880762 /nfs/dbraw/zinc/88/07/62/345880762.db2.gz JRELSCNBIIXUJK-SECBINFHSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)(F)C(=O)Cc1ccccc1 307195616 345881451 /nfs/dbraw/zinc/88/14/51/345881451.db2.gz MQNYRIGKESABDX-UHFFFAOYSA-N 0 0 180.222 2.546 10 0 AFAERN C[C@H]1CC[C@@]1(O)C1=CCCCC1 307196349 345881775 /nfs/dbraw/zinc/88/17/75/345881775.db2.gz PANJGXJMUYSABW-ONGXEEELSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CC[C@@]1(O)C1=CCCCC1 307196347 345881933 /nfs/dbraw/zinc/88/19/33/345881933.db2.gz PANJGXJMUYSABW-KOLCDFICSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CC[C@]1(O)C1=CCCCC1 307196348 345881938 /nfs/dbraw/zinc/88/19/38/345881938.db2.gz PANJGXJMUYSABW-MWLCHTKSSA-N 0 0 166.264 2.648 10 0 AFAERN Nc1ccc(-c2ccns2)c(F)c1 307195880 345881965 /nfs/dbraw/zinc/88/19/65/345881965.db2.gz NAPFDCPQICHWGU-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN C[C@H]1CC[C@]1(O)C1=CCCCC1 307196346 345882065 /nfs/dbraw/zinc/88/20/65/345882065.db2.gz PANJGXJMUYSABW-GXSJLCMTSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1c(N)cccc1-c1cscn1 307197137 345882249 /nfs/dbraw/zinc/88/22/49/345882249.db2.gz VFKTVRUGJYYYGP-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ncc(NCc2ccco2)s1 307197106 345882506 /nfs/dbraw/zinc/88/25/06/345882506.db2.gz UZPYXNZOKGFAOP-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN O=Cc1occc1C1=CCCC1 307196755 345882549 /nfs/dbraw/zinc/88/25/49/345882549.db2.gz PRUNVQLEGSAOQG-UHFFFAOYSA-N 0 0 162.188 2.659 10 0 AFAERN C[C@H](c1nnc(Cl)o1)C(C)(C)C 307199317 345884495 /nfs/dbraw/zinc/88/44/95/345884495.db2.gz XDFBACAMVNGAPD-RXMQYKEDSA-N 0 0 188.658 2.873 10 0 AFAERN C[C@@H](c1nnc(Cl)o1)C(C)(C)C 307199318 345884580 /nfs/dbraw/zinc/88/45/80/345884580.db2.gz XDFBACAMVNGAPD-YFKPBYRVSA-N 0 0 188.658 2.873 10 0 AFAERN Clc1nc(CC2CCC2)ns1 307199356 345884624 /nfs/dbraw/zinc/88/46/24/345884624.db2.gz XKKXKSWVOJGNOK-UHFFFAOYSA-N 0 0 188.683 2.534 10 0 AFAERN CC(C)(F)C(=O)CC1CCCC1 307199467 345884725 /nfs/dbraw/zinc/88/47/25/345884725.db2.gz ZSVBUJFYTROCMO-UHFFFAOYSA-N 0 0 172.243 2.884 10 0 AFAERN Cc1cocc1-c1ccccc1O 307200397 345884966 /nfs/dbraw/zinc/88/49/66/345884966.db2.gz BUKZYPPOQAJXOG-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN Cc1cc(N)cnc1C1=CCCC1 307200526 345886002 /nfs/dbraw/zinc/88/60/02/345886002.db2.gz DIKDXLIHDUVLLQ-UHFFFAOYSA-N 0 0 174.247 2.540 10 0 AFAERN Cc1ccc([C@@H](O)C(C)(F)F)s1 307201225 345886216 /nfs/dbraw/zinc/88/62/16/345886216.db2.gz ZYYXVFMIZSMJCP-SSDOTTSWSA-N 0 0 192.230 2.745 10 0 AFAERN Cc1cc([C@@H](N)C(C)(C)F)oc1C 307201332 345886450 /nfs/dbraw/zinc/88/64/50/345886450.db2.gz CIGLAJONWIDRQX-SECBINFHSA-N 0 0 185.242 2.644 10 0 AFAERN Cc1ccc([C@H](O)C(C)(F)F)s1 307201227 345886588 /nfs/dbraw/zinc/88/65/88/345886588.db2.gz ZYYXVFMIZSMJCP-ZETCQYMHSA-N 0 0 192.230 2.745 10 0 AFAERN Cc1cc([C@H](N)C(C)(C)F)oc1C 307201333 345886597 /nfs/dbraw/zinc/88/65/97/345886597.db2.gz CIGLAJONWIDRQX-VIFPVBQESA-N 0 0 185.242 2.644 10 0 AFAERN CC(=O)c1ccc(F)c(C)c1C 307202732 345887242 /nfs/dbraw/zinc/88/72/42/345887242.db2.gz CVADAQTYQMSQDX-UHFFFAOYSA-N 0 0 166.195 2.645 10 0 AFAERN Cc1conc1NCC1(C)CCC1 307203332 345887928 /nfs/dbraw/zinc/88/79/28/345887928.db2.gz GWKCZMAPTINYND-UHFFFAOYSA-N 0 0 180.251 2.585 10 0 AFAERN CCC1(Nc2ncns2)CCCC1 307204227 345888391 /nfs/dbraw/zinc/88/83/91/345888391.db2.gz GCJYNLRUJLSYLY-UHFFFAOYSA-N 0 0 197.307 2.673 10 0 AFAERN CC(C)(C)Nc1ccncc1Cl 307204291 345888729 /nfs/dbraw/zinc/88/87/29/345888729.db2.gz GILJDOHIGNIBGO-UHFFFAOYSA-N 0 0 184.670 2.945 10 0 AFAERN Cc1ccc(C(=O)[C@@]2(C)C[C@H]2F)s1 307211714 345894740 /nfs/dbraw/zinc/89/47/40/345894740.db2.gz NWYRYHXEQKZGJE-SCZZXKLOSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1ccc(C(=O)[C@@]2(C)C[C@@H]2F)s1 307211719 345894772 /nfs/dbraw/zinc/89/47/72/345894772.db2.gz NWYRYHXEQKZGJE-WPRPVWTQSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1ccc(C(=O)[C@]2(C)C[C@H]2F)s1 307211711 345894921 /nfs/dbraw/zinc/89/49/21/345894921.db2.gz NWYRYHXEQKZGJE-PSASIEDQSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1ccc(C(=O)[C@]2(C)C[C@@H]2F)s1 307211718 345895111 /nfs/dbraw/zinc/89/51/11/345895111.db2.gz NWYRYHXEQKZGJE-WCBMZHEXSA-N 0 0 198.262 2.987 10 0 AFAERN Cc1cc(NC2CSC2)ccc1F 307213491 345895565 /nfs/dbraw/zinc/89/55/65/345895565.db2.gz XTRMFJZGBOUJIE-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN Cc1cc(O)cc(C)c1C(F)F 307213963 345896127 /nfs/dbraw/zinc/89/61/27/345896127.db2.gz RGCAVAARGGUDBG-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN CCOCSCC=C(C)C 307214768 345896556 /nfs/dbraw/zinc/89/65/56/345896556.db2.gz AUFQOEWXSSAHRW-UHFFFAOYSA-N 0 0 160.282 2.680 10 0 AFAERN CC(C)SCC1CCC(O)CC1 307215825 345897269 /nfs/dbraw/zinc/89/72/69/345897269.db2.gz LKSOKUJRNSNILR-UHFFFAOYSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@H]1CC[C@H]1Nc1ccccn1 307216621 345897628 /nfs/dbraw/zinc/89/76/28/345897628.db2.gz LVOALFIKKWOKCQ-VHSXEESVSA-N 0 0 176.263 2.682 10 0 AFAERN CSCOc1ccccc1F 307216936 345897738 /nfs/dbraw/zinc/89/77/38/345897738.db2.gz BYFFEJUZHPOEJS-UHFFFAOYSA-N 0 0 172.224 2.525 10 0 AFAERN CC[C@@H]1CC[C@H]1Nc1ccccn1 307216619 345897741 /nfs/dbraw/zinc/89/77/41/345897741.db2.gz LVOALFIKKWOKCQ-NXEZZACHSA-N 0 0 176.263 2.682 10 0 AFAERN CC[C@@H]1CC[C@@H]1Nc1ccccn1 307216622 345897889 /nfs/dbraw/zinc/89/78/89/345897889.db2.gz LVOALFIKKWOKCQ-ZJUUUORDSA-N 0 0 176.263 2.682 10 0 AFAERN CC[C@H]1CC[C@@H]1Nc1ccccn1 307216620 345897906 /nfs/dbraw/zinc/89/79/06/345897906.db2.gz LVOALFIKKWOKCQ-UWVGGRQHSA-N 0 0 176.263 2.682 10 0 AFAERN Cc1cc([C@H]2CC(=O)[C@@H]2C)cs1 307218399 345898814 /nfs/dbraw/zinc/89/88/14/345898814.db2.gz GPYWRGRPKRMHFN-APPZFPTMSA-N 0 0 180.272 2.749 10 0 AFAERN Cc1cc([C@@H]2CC(=O)[C@@H]2C)cs1 307218709 345898816 /nfs/dbraw/zinc/89/88/16/345898816.db2.gz GPYWRGRPKRMHFN-VXNVDRBHSA-N 0 0 180.272 2.749 10 0 AFAERN Cc1cc([C@H]2CC(=O)[C@H]2C)cs1 307218707 345898835 /nfs/dbraw/zinc/89/88/35/345898835.db2.gz GPYWRGRPKRMHFN-CBAPKCEASA-N 0 0 180.272 2.749 10 0 AFAERN Cc1cc([C@@H]2CC(=O)[C@H]2C)cs1 307218708 345898951 /nfs/dbraw/zinc/89/89/51/345898951.db2.gz GPYWRGRPKRMHFN-IONNQARKSA-N 0 0 180.272 2.749 10 0 AFAERN Cc1c(F)cc(Cl)cc1C=O 307218496 345899116 /nfs/dbraw/zinc/89/91/16/345899116.db2.gz VTGRTGRJMRUWSX-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN Clc1nsc(CCC2CC2)n1 307227322 345904575 /nfs/dbraw/zinc/90/45/75/345904575.db2.gz DDBLTJRRGQUZLB-UHFFFAOYSA-N 0 0 188.683 2.534 10 0 AFAERN CC1(C[C@H]2CSCC2=O)CCCC1 307228265 345905120 /nfs/dbraw/zinc/90/51/20/345905120.db2.gz HNENYGCSHLVFKA-VIFPVBQESA-N 0 0 198.331 2.889 10 0 AFAERN CC1(C[C@@H]2CSCC2=O)CCCC1 307228264 345905456 /nfs/dbraw/zinc/90/54/56/345905456.db2.gz HNENYGCSHLVFKA-SECBINFHSA-N 0 0 198.331 2.889 10 0 AFAERN Cc1ccccc1C(=O)C(C)(C)F 307228560 345905822 /nfs/dbraw/zinc/90/58/22/345905822.db2.gz IXOOUTSGWYQBOW-UHFFFAOYSA-N 0 0 180.222 2.926 10 0 AFAERN Cc1cc(Cl)nc2cc(N)ccc12 307228529 345906008 /nfs/dbraw/zinc/90/60/08/345906008.db2.gz IRZUXJJDMICJGZ-UHFFFAOYSA-N 0 0 192.649 2.561 10 0 AFAERN CC[C@]1(C)C[C@H]1Nc1ccccn1 307229291 345906220 /nfs/dbraw/zinc/90/62/20/345906220.db2.gz LSFCRZMBMZUEKI-MWLCHTKSSA-N 0 0 176.263 2.682 10 0 AFAERN CC[C@]1(C)C[C@@H]1Nc1ccccn1 307229289 345906315 /nfs/dbraw/zinc/90/63/15/345906315.db2.gz LSFCRZMBMZUEKI-GXSJLCMTSA-N 0 0 176.263 2.682 10 0 AFAERN CC[C@@]1(C)C[C@@H]1Nc1ccccn1 307229292 345906320 /nfs/dbraw/zinc/90/63/20/345906320.db2.gz LSFCRZMBMZUEKI-ONGXEEELSA-N 0 0 176.263 2.682 10 0 AFAERN CC[C@@]1(C)C[C@H]1Nc1ccccn1 307229290 345906518 /nfs/dbraw/zinc/90/65/18/345906518.db2.gz LSFCRZMBMZUEKI-KOLCDFICSA-N 0 0 176.263 2.682 10 0 AFAERN COc1ccc(C)c(Cl)c1F 307229903 345906955 /nfs/dbraw/zinc/90/69/55/345906955.db2.gz AWOBKUDQCSBGRF-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN CC(C)(Nc1nncs1)C1CCC1 307230272 345907291 /nfs/dbraw/zinc/90/72/91/345907291.db2.gz AQVUMYFUGBFQMJ-UHFFFAOYSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCC[C@H]([C@]2(O)[C@H]3CCC[C@H]32)C1 307231161 345908345 /nfs/dbraw/zinc/90/83/45/345908345.db2.gz DFZZMVFLASVQFN-RXGFPQBGSA-N 0 0 194.318 2.974 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@]2(O)[C@H]3CCC[C@H]32)C1 307231159 345908438 /nfs/dbraw/zinc/90/84/38/345908438.db2.gz DFZZMVFLASVQFN-NJMOYASZSA-N 0 0 194.318 2.974 10 0 AFAERN CC1(C)OCC[C@H]1Nc1ccccc1 307235087 345911589 /nfs/dbraw/zinc/91/15/89/345911589.db2.gz FLJVLVNDOYOIPD-LLVKDONJSA-N 0 0 191.274 2.666 10 0 AFAERN CC1(C)OCC[C@@H]1Nc1ccccc1 307235091 345911773 /nfs/dbraw/zinc/91/17/73/345911773.db2.gz FLJVLVNDOYOIPD-NSHDSACASA-N 0 0 191.274 2.666 10 0 AFAERN Cc1c(N)n[nH]c1[C@H]1CCC[C@H](C)C1 307235774 345911931 /nfs/dbraw/zinc/91/19/31/345911931.db2.gz FRIPADGLDKXAQO-CBAPKCEASA-N 0 0 193.294 2.594 10 0 AFAERN Cc1c(N)n[nH]c1[C@@H]1CCC[C@@H](C)C1 307235776 345911961 /nfs/dbraw/zinc/91/19/61/345911961.db2.gz FRIPADGLDKXAQO-VXNVDRBHSA-N 0 0 193.294 2.594 10 0 AFAERN Cc1c(N)n[nH]c1[C@@H]1CCC[C@H](C)C1 307235775 345911973 /nfs/dbraw/zinc/91/19/73/345911973.db2.gz FRIPADGLDKXAQO-IONNQARKSA-N 0 0 193.294 2.594 10 0 AFAERN Cc1c(N)n[nH]c1[C@H]1CCC[C@@H](C)C1 307235773 345911975 /nfs/dbraw/zinc/91/19/75/345911975.db2.gz FRIPADGLDKXAQO-APPZFPTMSA-N 0 0 193.294 2.594 10 0 AFAERN S=c1cc(Cl)[nH]cc1Cl 307235885 345911996 /nfs/dbraw/zinc/91/19/96/345911996.db2.gz DPDSXURQWYPVIV-UHFFFAOYSA-N 0 0 180.059 2.677 10 0 AFAERN CC(F)(F)[C@H](O)CC1CCCC1 307236419 345912503 /nfs/dbraw/zinc/91/25/03/345912503.db2.gz DUWZEVRYPSIXSE-MRVPVSSYSA-N 0 0 178.222 2.583 10 0 AFAERN CC(F)(F)[C@@H](O)CC1CCCC1 307236420 345912603 /nfs/dbraw/zinc/91/26/03/345912603.db2.gz DUWZEVRYPSIXSE-QMMMGPOBSA-N 0 0 178.222 2.583 10 0 AFAERN C/C=C/CNc1ccnc(Cl)c1 307237079 345913015 /nfs/dbraw/zinc/91/30/15/345913015.db2.gz GNOJMMUSEIQSNS-NSCUHMNNSA-N 0 0 182.654 2.723 10 0 AFAERN O=C1CSC(C2CCCCCC2)=N1 307237452 345913621 /nfs/dbraw/zinc/91/36/21/345913621.db2.gz XKKCBHPZHWUVRI-UHFFFAOYSA-N 0 0 197.303 2.629 10 0 AFAERN Cc1cc(N)cc(-c2cscn2)c1 307237382 345913662 /nfs/dbraw/zinc/91/36/62/345913662.db2.gz OIZAXFMXECEZGK-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C/C=C/CNc1ccc(Cl)cn1 307238023 345914018 /nfs/dbraw/zinc/91/40/18/345914018.db2.gz GXNRNSLBHBCPFK-NSCUHMNNSA-N 0 0 182.654 2.723 10 0 AFAERN C[C@]1(C(=O)c2ccsc2)C[C@H]1F 307238703 345914014 /nfs/dbraw/zinc/91/40/14/345914014.db2.gz ZJPXBIQDWAXPGL-APPZFPTMSA-N 0 0 184.235 2.679 10 0 AFAERN C[C@@]1(C(=O)c2ccsc2)C[C@@H]1F 307238706 345914044 /nfs/dbraw/zinc/91/40/44/345914044.db2.gz ZJPXBIQDWAXPGL-IONNQARKSA-N 0 0 184.235 2.679 10 0 AFAERN C[C@@]1(C(=O)c2ccsc2)C[C@H]1F 307238707 345914061 /nfs/dbraw/zinc/91/40/61/345914061.db2.gz ZJPXBIQDWAXPGL-VXNVDRBHSA-N 0 0 184.235 2.679 10 0 AFAERN C[C@]1(C(=O)c2ccsc2)C[C@@H]1F 307238704 345914226 /nfs/dbraw/zinc/91/42/26/345914226.db2.gz ZJPXBIQDWAXPGL-CBAPKCEASA-N 0 0 184.235 2.679 10 0 AFAERN CCC1(Nc2ccncn2)CCCC1 307239076 345914661 /nfs/dbraw/zinc/91/46/61/345914661.db2.gz HKYSYUORAFINBG-UHFFFAOYSA-N 0 0 191.278 2.611 10 0 AFAERN S=c1[nH]cc(C2CCCC2)o1 307239176 345914918 /nfs/dbraw/zinc/91/49/18/345914918.db2.gz GBVNHBUHYMWHEI-UHFFFAOYSA-N 0 0 169.249 2.621 10 0 AFAERN C[C@H]([C@@H]1CC1(C)C)n1cnnc1Cl 307241387 345916382 /nfs/dbraw/zinc/91/63/82/345916382.db2.gz HTWSMEBJXYWKTR-RQJHMYQMSA-N 0 0 199.685 2.539 10 0 AFAERN C[C@@H]([C@@H]1CC1(C)C)n1cnnc1Cl 307241384 345916437 /nfs/dbraw/zinc/91/64/37/345916437.db2.gz HTWSMEBJXYWKTR-BQBZGAKWSA-N 0 0 199.685 2.539 10 0 AFAERN C[C@@H]([C@H]1CC1(C)C)n1cnnc1Cl 307241385 345916439 /nfs/dbraw/zinc/91/64/39/345916439.db2.gz HTWSMEBJXYWKTR-NKWVEPMBSA-N 0 0 199.685 2.539 10 0 AFAERN C[C@H]([C@H]1CC1(C)C)n1cnnc1Cl 307241386 345916567 /nfs/dbraw/zinc/91/65/67/345916567.db2.gz HTWSMEBJXYWKTR-RNFRBKRXSA-N 0 0 199.685 2.539 10 0 AFAERN Cc1csc(C(=O)c2ccoc2)c1 307241992 345916600 /nfs/dbraw/zinc/91/66/00/345916600.db2.gz RRBMQFSOAVTTLP-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Cc1cocc1-c1ccc(O)cc1 307243749 345917673 /nfs/dbraw/zinc/91/76/73/345917673.db2.gz TYYDGLPIWQFOLP-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN C/C=C/CNc1c(N)cccc1Cl 307244385 345918201 /nfs/dbraw/zinc/91/82/01/345918201.db2.gz LEIXMJRVQMJMNX-NSCUHMNNSA-N 0 0 196.681 2.910 10 0 AFAERN C/C=C/CNc1ccc(C)c(N)c1 307244374 345918272 /nfs/dbraw/zinc/91/82/72/345918272.db2.gz LDGBTQRKKZBIKD-ONEGZZNKSA-N 0 0 176.263 2.565 10 0 AFAERN CSCc1ccccc1C(C)(C)O 307246084 345919378 /nfs/dbraw/zinc/91/93/78/345919378.db2.gz XDRMVPMMWXFDMI-UHFFFAOYSA-N 0 0 196.315 2.777 10 0 AFAERN Cc1ccc(O)cc1-c1ccncc1 307247568 345920350 /nfs/dbraw/zinc/92/03/50/345920350.db2.gz MWJYKWBBJPRHFH-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CC[C@@]([NH3+])(c1csc(C)n1)C(C)C 307249094 345921341 /nfs/dbraw/zinc/92/13/41/345921341.db2.gz NZPSMNCMQLMMGA-JTQLQIEISA-N 0 0 198.335 2.672 10 0 AFAERN O=C(C1CCCC1)C1CC(F)(F)C1 307248951 345921532 /nfs/dbraw/zinc/92/15/32/345921532.db2.gz NWTAMCJJLYOWKI-UHFFFAOYSA-N 0 0 188.217 2.791 10 0 AFAERN CC[C@]([NH3+])(c1csc(C)n1)C(C)C 307249095 345921798 /nfs/dbraw/zinc/92/17/98/345921798.db2.gz NZPSMNCMQLMMGA-SNVBAGLBSA-N 0 0 198.335 2.672 10 0 AFAERN CC(C)(C)C[C@](C)(O)C1CCC1 307250816 345922592 /nfs/dbraw/zinc/92/25/92/345922592.db2.gz PYHYRZVFQQCWEP-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)(C)C[C@@](C)(O)C1CCC1 307250815 345922684 /nfs/dbraw/zinc/92/26/84/345922684.db2.gz PYHYRZVFQQCWEP-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C/CNc1ccc2c(c1)CCO2 307251664 345923001 /nfs/dbraw/zinc/92/30/01/345923001.db2.gz QRDKGXNSPMKFQX-NSCUHMNNSA-N 0 0 189.258 2.610 10 0 AFAERN C/C=C/CNc1cc(Cl)ccc1N 307252418 345924027 /nfs/dbraw/zinc/92/40/27/345924027.db2.gz SERYGOSETIQQCP-NSCUHMNNSA-N 0 0 196.681 2.910 10 0 AFAERN C[C@H](CC(C)(C)C)Nc1cnns1 307253956 345925502 /nfs/dbraw/zinc/92/55/02/345925502.db2.gz WMUXHQFAYBSBRS-SSDOTTSWSA-N 0 0 199.323 2.775 10 0 AFAERN C[C@@H](O)C1(CC2CC(F)(F)C2)CC1 307254250 345925496 /nfs/dbraw/zinc/92/54/96/345925496.db2.gz XGJUVVWIGOWISQ-SSDOTTSWSA-N 0 0 190.233 2.583 10 0 AFAERN C[C@H](O)C1(CC2CC(F)(F)C2)CC1 307254251 345925636 /nfs/dbraw/zinc/92/56/36/345925636.db2.gz XGJUVVWIGOWISQ-ZETCQYMHSA-N 0 0 190.233 2.583 10 0 AFAERN C[C@@H](CC(C)(C)C)Nc1cnns1 307253957 345925715 /nfs/dbraw/zinc/92/57/15/345925715.db2.gz WMUXHQFAYBSBRS-ZETCQYMHSA-N 0 0 199.323 2.775 10 0 AFAERN C/C=C/CNc1cc(N)ccc1C 307254116 345925734 /nfs/dbraw/zinc/92/57/34/345925734.db2.gz WXRAITOWJZMPLG-ONEGZZNKSA-N 0 0 176.263 2.565 10 0 AFAERN C[C@@H]1O[C@H](C)C[C@H]1Nc1ccsc1 307254980 345926110 /nfs/dbraw/zinc/92/61/10/345926110.db2.gz YYQOPZSZAVPZAF-KHQFGBGNSA-N 0 0 197.303 2.726 10 0 AFAERN C[C@@H]1C[C@H](Nc2ccsc2)[C@@H](C)O1 307254981 345926258 /nfs/dbraw/zinc/92/62/58/345926258.db2.gz YYQOPZSZAVPZAF-MRTMQBJTSA-N 0 0 197.303 2.726 10 0 AFAERN C/C=C/CNc1cc(C)cc(N)c1 307255828 345927383 /nfs/dbraw/zinc/92/73/83/345927383.db2.gz ZZNZNPLIUMKMRT-ONEGZZNKSA-N 0 0 176.263 2.565 10 0 AFAERN Fc1cc(Cl)ccc1[C@H]1C=CC[NH2+]1 307256385 345927733 /nfs/dbraw/zinc/92/77/33/345927733.db2.gz INKOHNNZKWARSD-SNVBAGLBSA-N 0 0 197.640 2.680 10 0 AFAERN Fc1cc(Cl)ccc1[C@@H]1C=CC[NH2+]1 307256384 345927839 /nfs/dbraw/zinc/92/78/39/345927839.db2.gz INKOHNNZKWARSD-JTQLQIEISA-N 0 0 197.640 2.680 10 0 AFAERN S=c1cc[nH]c(-c2ccns2)c1 307257692 345928269 /nfs/dbraw/zinc/92/82/69/345928269.db2.gz JTWCUSXFGBWKGH-UHFFFAOYSA-N 0 0 194.284 2.868 10 0 AFAERN Cc1cccc(N[C@H]2CC[C@H]2C)c1N 307259756 345930790 /nfs/dbraw/zinc/93/07/90/345930790.db2.gz RNIHVNNPGLCHCO-SCZZXKLOSA-N 0 0 190.290 2.788 10 0 AFAERN CC1(C)CCC[C@](O)(c2ccc[nH]2)C1 307259897 345930878 /nfs/dbraw/zinc/93/08/78/345930878.db2.gz DAVLZALNVJNTJH-GFCCVEGCSA-N 0 0 193.290 2.803 10 0 AFAERN CC1(C)CCC[C@@](O)(c2ccc[nH]2)C1 307259898 345930881 /nfs/dbraw/zinc/93/08/81/345930881.db2.gz DAVLZALNVJNTJH-LBPRGKRZSA-N 0 0 193.290 2.803 10 0 AFAERN Cc1cccc(N[C@H]2CC[C@@H]2C)c1N 307259758 345930894 /nfs/dbraw/zinc/93/08/94/345930894.db2.gz RNIHVNNPGLCHCO-WPRPVWTQSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1cccc(N[C@@H]2CC[C@@H]2C)c1N 307259757 345930941 /nfs/dbraw/zinc/93/09/41/345930941.db2.gz RNIHVNNPGLCHCO-WCBMZHEXSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1cccc(N[C@@H]2CC[C@H]2C)c1N 307259755 345930975 /nfs/dbraw/zinc/93/09/75/345930975.db2.gz RNIHVNNPGLCHCO-PSASIEDQSA-N 0 0 190.290 2.788 10 0 AFAERN Fc1ccnc(NC2CCCC2)c1 307263623 345933079 /nfs/dbraw/zinc/93/30/79/345933079.db2.gz VXVWJHASYCHFMB-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN CC(C)C(=O)[C@@H]1CCC1(C)C 307264458 345933769 /nfs/dbraw/zinc/93/37/69/345933769.db2.gz BPWJXOCUFLALSQ-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)C(=O)[C@H]1CCC1(C)C 307264457 345933902 /nfs/dbraw/zinc/93/39/02/345933902.db2.gz BPWJXOCUFLALSQ-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(C)C(C)(C)Nc1ccncn1 307266356 345935549 /nfs/dbraw/zinc/93/55/49/345935549.db2.gz DEWAINFZHQGMQK-UHFFFAOYSA-N 0 0 193.294 2.713 10 0 AFAERN Nc1cccc(-c2ccc[nH]2)c1Cl 307266752 345935731 /nfs/dbraw/zinc/93/57/31/345935731.db2.gz HKUOJISBECOKIC-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN CC/C(=C\c1ccccc1)NC(C)=O 307267551 345936342 /nfs/dbraw/zinc/93/63/42/345936342.db2.gz IWESJZAICCEEMV-FMIVXFBMSA-N 0 0 189.258 2.574 10 0 AFAERN Cc1ccc(C(F)(F)F)c(F)c1N 307268013 345936653 /nfs/dbraw/zinc/93/66/53/345936653.db2.gz JTVBWZRDGYDTOX-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN Cc1c(F)ccc(Cl)c1C=O 307269094 345937024 /nfs/dbraw/zinc/93/70/24/345937024.db2.gz MHRYKYBWXVAJIP-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN Cc1c(Cl)ccc(Cl)c1CO 307269826 345937502 /nfs/dbraw/zinc/93/75/02/345937502.db2.gz ODTFJURPDVMESC-UHFFFAOYSA-N 0 0 191.057 2.794 10 0 AFAERN Fc1c[nH]cc(C(F)(F)F)c1=S 307272201 345939029 /nfs/dbraw/zinc/93/90/29/345939029.db2.gz DFUMXAGUCIMYOW-UHFFFAOYSA-N 0 0 197.156 2.528 10 0 AFAERN Cc1c(F)ccc(OC(F)F)c1F 307274725 345941091 /nfs/dbraw/zinc/94/10/91/345941091.db2.gz ODBQKAHTXSHEGE-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN COc1cc(F)c(CF)c(F)c1F 307275632 345941756 /nfs/dbraw/zinc/94/17/56/345941756.db2.gz RRMTWFVCAOACAI-UHFFFAOYSA-N 0 0 194.127 2.582 10 0 AFAERN Cc1cscc1C1=NC(=O)CS1 307277138 345942494 /nfs/dbraw/zinc/94/24/94/345942494.db2.gz ZTVFJXPDGPCLEQ-UHFFFAOYSA-N 0 0 197.284 2.886 10 0 AFAERN CC(C)C1(Nc2ccccn2)CC1 307281408 345944745 /nfs/dbraw/zinc/94/47/45/345944745.db2.gz CIBWJIOWTKMEON-UHFFFAOYSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@@H]1Cc2c(N)cccc2[C@@H]1C 307281136 345945057 /nfs/dbraw/zinc/94/50/57/345945057.db2.gz BWPSSLVIMVPYEH-HTQZYQBOSA-N 0 0 161.248 2.565 10 0 AFAERN O[C@@H]1CCCC[C@@]23CCC[C@]12CC3 307282049 345945406 /nfs/dbraw/zinc/94/54/06/345945406.db2.gz GVAKZVBPPABPNV-WOPDTQHZSA-N 0 0 180.291 2.872 10 0 AFAERN O[C@@H]1CCCC[C@]23CCC[C@]12CC3 307282048 345945527 /nfs/dbraw/zinc/94/55/27/345945527.db2.gz GVAKZVBPPABPNV-UTUOFQBUSA-N 0 0 180.291 2.872 10 0 AFAERN O[C@@H]1CCCC[C@@]23CCC[C@@]12CC3 307282046 345945590 /nfs/dbraw/zinc/94/55/90/345945590.db2.gz GVAKZVBPPABPNV-GRYCIOLGSA-N 0 0 180.291 2.872 10 0 AFAERN C/C=C/CCNc1c(N)cccc1F 307285607 345947687 /nfs/dbraw/zinc/94/76/87/345947687.db2.gz ORZGBNIDLJWLQK-NSCUHMNNSA-N 0 0 194.253 2.786 10 0 AFAERN Cc1ccc(N)cc1-c1ccsn1 307288147 345949386 /nfs/dbraw/zinc/94/93/86/345949386.db2.gz ATYABPXAFMOSMF-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCOc1ccc(C)c(C)c1F 307290885 345950150 /nfs/dbraw/zinc/95/01/50/345950150.db2.gz ARNLEMMKXHAVGJ-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN CCCCc1cc(N)cc(F)c1 307290918 345950360 /nfs/dbraw/zinc/95/03/60/345950360.db2.gz AVAYIMCWSBPDIO-UHFFFAOYSA-N 0 0 167.227 2.751 10 0 AFAERN Cc1c(F)ccc(F)c1OC(F)F 307291013 345950409 /nfs/dbraw/zinc/95/04/09/345950409.db2.gz BDBWKNCCRFBXAO-UHFFFAOYSA-N 0 0 194.127 2.875 10 0 AFAERN Cc1cc(C(F)F)cc(C)c1O 307293024 345951795 /nfs/dbraw/zinc/95/17/95/345951795.db2.gz LLXYWXBKMYUCIL-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN Fc1c[nH]c(C(F)(F)F)cc1=S 307293341 345951820 /nfs/dbraw/zinc/95/18/20/345951820.db2.gz DZQROZNLBGJJQB-UHFFFAOYSA-N 0 0 197.156 2.528 10 0 AFAERN O=Cc1ccc(F)c(C(F)F)c1F 307293597 345951951 /nfs/dbraw/zinc/95/19/51/345951951.db2.gz FCNYQYAELWLTPG-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN CC1(C[C@H]2COC(C)(C)C2=O)CCC1 307293654 345952004 /nfs/dbraw/zinc/95/20/04/345952004.db2.gz FESGHXSASLDKFQ-VIFPVBQESA-N 0 0 196.290 2.561 10 0 AFAERN CC1(C[C@@H]2COC(C)(C)C2=O)CCC1 307293645 345952077 /nfs/dbraw/zinc/95/20/77/345952077.db2.gz FESGHXSASLDKFQ-SECBINFHSA-N 0 0 196.290 2.561 10 0 AFAERN Cc1ccc(C(F)F)c(O)c1C 307295163 345952438 /nfs/dbraw/zinc/95/24/38/345952438.db2.gz OKHWHOILLVWPQW-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)c1ccc(F)cn1 307297140 345953998 /nfs/dbraw/zinc/95/39/98/345953998.db2.gz RTZXPMCKPOLOFM-GZMMTYOYSA-N 0 0 197.253 2.546 10 0 AFAERN Cc1coc(NCC2(C)CCC2)n1 307298036 345954013 /nfs/dbraw/zinc/95/40/13/345954013.db2.gz QGHSANCBKZYKCV-UHFFFAOYSA-N 0 0 180.251 2.585 10 0 AFAERN CC(C)[C@H](C)[C@H](O)c1ccc(F)cn1 307297143 345954131 /nfs/dbraw/zinc/95/41/31/345954131.db2.gz RTZXPMCKPOLOFM-KWQFWETISA-N 0 0 197.253 2.546 10 0 AFAERN FC(F)c1ccc(NC2CC2)nc1 307299388 345954902 /nfs/dbraw/zinc/95/49/02/345954902.db2.gz YJHJXDWMFVXFKF-UHFFFAOYSA-N 0 0 184.189 2.594 10 0 AFAERN CC(C)=CCn1ccc(Cl)n1 307299849 345955182 /nfs/dbraw/zinc/95/51/82/345955182.db2.gz VNNOYNKPJDEDNK-UHFFFAOYSA-N 0 0 170.643 2.503 10 0 AFAERN Cc1cc(-c2ccsn2)ccc1O 307299950 345955310 /nfs/dbraw/zinc/95/53/10/345955310.db2.gz ZTCDSNONRIROPU-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CC[C@@H](C)c1noc(C(C)(C)C)n1 307300249 345955377 /nfs/dbraw/zinc/95/53/77/345955377.db2.gz VXCIAFJDUUXOJT-SSDOTTSWSA-N 0 0 182.267 2.881 10 0 AFAERN CCCCc1cc(F)cc(F)c1N 307302825 345957096 /nfs/dbraw/zinc/95/70/96/345957096.db2.gz ZKCXRWIQDHQHRO-UHFFFAOYSA-N 0 0 185.217 2.890 10 0 AFAERN Cc1cc(C2CC(=O)C2)cs1 307303208 345957468 /nfs/dbraw/zinc/95/74/68/345957468.db2.gz BNLQQCAKKVKRGW-UHFFFAOYSA-N 0 0 166.245 2.503 10 0 AFAERN COc1c(F)cc(F)c(F)c1CF 307304684 345958278 /nfs/dbraw/zinc/95/82/78/345958278.db2.gz HSPUMTBKOMADMY-UHFFFAOYSA-N 0 0 194.127 2.582 10 0 AFAERN Cc1ccc(C)c(C(F)F)c1O 307306263 345959456 /nfs/dbraw/zinc/95/94/56/345959456.db2.gz JMTZOLLECRDFSD-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN Cc1c(C(F)(F)F)ccc(N)c1F 307306052 345959478 /nfs/dbraw/zinc/95/94/78/345959478.db2.gz SLWMRNCFMLWGSW-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN CCc1c(F)cc(F)c(OC)c1F 307306625 345960188 /nfs/dbraw/zinc/96/01/88/345960188.db2.gz JZHPHWHFPSJGJU-UHFFFAOYSA-N 0 0 190.164 2.675 10 0 AFAERN OC(C1CCCC1)(C1CC1)C1CC1 307307523 345960450 /nfs/dbraw/zinc/96/04/50/345960450.db2.gz MBSHIHZWGZROBG-UHFFFAOYSA-N 0 0 180.291 2.728 10 0 AFAERN Cc1ccc(-c2ccsn2)c(N)c1 307307775 345960603 /nfs/dbraw/zinc/96/06/03/345960603.db2.gz NABWPZDHIZJQNE-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC[C@]1(C)C[C@@H]1n1cc[nH]c1=S 307313954 345965035 /nfs/dbraw/zinc/96/50/35/345965035.db2.gz HQCHAJWBRBRNRJ-IONNQARKSA-N 0 0 182.292 2.533 10 0 AFAERN CC[C@@]1(C)C[C@@H]1n1cc[nH]c1=S 307313953 345965020 /nfs/dbraw/zinc/96/50/20/345965020.db2.gz HQCHAJWBRBRNRJ-CBAPKCEASA-N 0 0 182.292 2.533 10 0 AFAERN Cc1nc(C(C)(C)C[C@H](C)O)cs1 307314833 345965493 /nfs/dbraw/zinc/96/54/93/345965493.db2.gz IDXRBOKTWRYGST-ZETCQYMHSA-N 0 0 199.319 2.500 10 0 AFAERN Cc1nc(C(C)(C)C[C@@H](C)O)cs1 307314832 345965756 /nfs/dbraw/zinc/96/57/56/345965756.db2.gz IDXRBOKTWRYGST-SSDOTTSWSA-N 0 0 199.319 2.500 10 0 AFAERN C[C@@H](O)c1cnc(CC2CCC2)s1 307315116 345965791 /nfs/dbraw/zinc/96/57/91/345965791.db2.gz LWBUHFNQDWQSGO-SSDOTTSWSA-N 0 0 197.303 2.539 10 0 AFAERN CSCc1ccccc1C(C)=O 307315861 345966043 /nfs/dbraw/zinc/96/60/43/345966043.db2.gz ZMAXDJFLYXQQQH-UHFFFAOYSA-N 0 0 180.272 2.752 10 0 AFAERN CCOc1cc(C)cc(C)c1F 307316427 345966642 /nfs/dbraw/zinc/96/66/42/345966642.db2.gz AXQNQEUXGMRBHQ-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN Cc1cc(-c2onc(N)c2C)cs1 307319067 345968255 /nfs/dbraw/zinc/96/82/55/345968255.db2.gz NAYJDVOGJBURGT-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCNc1nccc2ccsc12 307319195 345968262 /nfs/dbraw/zinc/96/82/62/345968262.db2.gz SEHJSFFEQYQFAS-UHFFFAOYSA-N 0 0 178.260 2.728 10 0 AFAERN Cc1cocc1[C@]1(C)CCC(=O)C1 307320295 345968781 /nfs/dbraw/zinc/96/87/81/345968781.db2.gz UYZUAKBKXVJUQW-LLVKDONJSA-N 0 0 178.231 2.599 10 0 AFAERN Cc1cocc1[C@@]1(C)CCC(=O)C1 307320297 345968941 /nfs/dbraw/zinc/96/89/41/345968941.db2.gz UYZUAKBKXVJUQW-NSHDSACASA-N 0 0 178.231 2.599 10 0 AFAERN COc1c(F)cccc1C(=O)C(C)C 307320210 345968995 /nfs/dbraw/zinc/96/89/95/345968995.db2.gz OOFMSXKZEVFIQM-UHFFFAOYSA-N 0 0 196.221 2.673 10 0 AFAERN Cc1cc(C(=O)OC(C)C)cs1 307322709 345970429 /nfs/dbraw/zinc/97/04/29/345970429.db2.gz ZVPXYAJPBKQMFR-UHFFFAOYSA-N 0 0 184.260 2.622 10 0 AFAERN FCOc1cc(F)cc(F)c1Cl 307323103 345970442 /nfs/dbraw/zinc/97/04/42/345970442.db2.gz HCVFRBZEINLBLC-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN COc1cc([S-])c(C)cc1C 307323347 345970739 /nfs/dbraw/zinc/97/07/39/345970739.db2.gz CMWMFEXELGHHQR-UHFFFAOYSA-N 0 0 168.261 2.601 10 0 AFAERN CC(C)(C)C(C)(C)[C@H](O)C1=CCCO1 307323632 345970979 /nfs/dbraw/zinc/97/09/79/345970979.db2.gz RNKKPLFWASYDSD-SNVBAGLBSA-N 0 0 198.306 2.724 10 0 AFAERN CC(C)(C)C(C)(C)[C@@H](O)C1=CCCO1 307323630 345970996 /nfs/dbraw/zinc/97/09/96/345970996.db2.gz RNKKPLFWASYDSD-JTQLQIEISA-N 0 0 198.306 2.724 10 0 AFAERN CCC1(c2nnc(Cl)s2)CC1 307324735 345971513 /nfs/dbraw/zinc/97/15/13/345971513.db2.gz FHXMUWOLSLTRCU-UHFFFAOYSA-N 0 0 188.683 2.633 10 0 AFAERN Cc1cocc1-c1cn[nH]c(=S)c1 307324260 345971678 /nfs/dbraw/zinc/97/16/78/345971678.db2.gz RURMDBLDZLZQHL-UHFFFAOYSA-N 0 0 192.243 2.708 10 0 AFAERN Cc1ccc(-c2nc(N)cs2)s1 307325288 345972273 /nfs/dbraw/zinc/97/22/73/345972273.db2.gz GFGJDMYXDCGAFW-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN S=c1cc[nH]c(Cl)c1Cl 307329412 345975083 /nfs/dbraw/zinc/97/50/83/345975083.db2.gz WYVPVNXMXYQNSP-UHFFFAOYSA-N 0 0 180.059 2.677 10 0 AFAERN CS[C@H](C)C1CCCC1 307333273 345977155 /nfs/dbraw/zinc/97/71/55/345977155.db2.gz AOQGAWIUUSMCTC-SSDOTTSWSA-N 0 0 144.283 2.928 10 0 AFAERN CS[C@@H](C)C1CCCC1 307333279 345977203 /nfs/dbraw/zinc/97/72/03/345977203.db2.gz AOQGAWIUUSMCTC-ZETCQYMHSA-N 0 0 144.283 2.928 10 0 AFAERN CC(=O)[C@H](C)S[C@H]1CC[C@H](C)C1 307334705 345977563 /nfs/dbraw/zinc/97/75/63/345977563.db2.gz BDJBFKLYOXSRSY-HGNGGELXSA-N 0 0 186.320 2.886 10 0 AFAERN CC(=O)[C@H](C)S[C@@H]1CC[C@H](C)C1 307334844 345977765 /nfs/dbraw/zinc/97/77/65/345977765.db2.gz BDJBFKLYOXSRSY-UJNFCWOMSA-N 0 0 186.320 2.886 10 0 AFAERN CC(=O)[C@H](C)S[C@H]1CC[C@@H](C)C1 307334837 345977812 /nfs/dbraw/zinc/97/78/12/345977812.db2.gz BDJBFKLYOXSRSY-JEZHCXPESA-N 0 0 186.320 2.886 10 0 AFAERN CC(=O)[C@H](C)S[C@@H]1CC[C@@H](C)C1 307334701 345977861 /nfs/dbraw/zinc/97/78/61/345977861.db2.gz BDJBFKLYOXSRSY-FKTZTGRPSA-N 0 0 186.320 2.886 10 0 AFAERN Nc1cc([C@@H]2CC3CCC2CC3)on1 307335699 345978353 /nfs/dbraw/zinc/97/83/53/345978353.db2.gz GWIIHPPAVSOCNS-AMDVSUOASA-N 0 0 192.262 2.551 10 0 AFAERN Nc1cc([C@H]2CC3CCC2CC3)on1 307335702 345978538 /nfs/dbraw/zinc/97/85/38/345978538.db2.gz GWIIHPPAVSOCNS-HACHORDNSA-N 0 0 192.262 2.551 10 0 AFAERN CC(C)(C)[C@@H]1C[NH2+][C@@H]1c1ccco1 307336437 345978635 /nfs/dbraw/zinc/97/86/35/345978635.db2.gz RDTXWQKRFLJPKT-SCZZXKLOSA-N 0 0 179.263 2.586 10 0 AFAERN C[C@@H]1CC(C)(C)c2cnc(Cl)nc21 307335852 345978771 /nfs/dbraw/zinc/97/87/71/345978771.db2.gz QZSCAYNHPYTVNP-ZCFIWIBFSA-N 0 0 196.681 2.915 10 0 AFAERN C[C@H]1CC(C)(C)c2cnc(Cl)nc21 307335850 345978806 /nfs/dbraw/zinc/97/88/06/345978806.db2.gz QZSCAYNHPYTVNP-LURJTMIESA-N 0 0 196.681 2.915 10 0 AFAERN CC(C)(C)[C@@H]1C[NH2+][C@H]1c1ccco1 307335955 345978921 /nfs/dbraw/zinc/97/89/21/345978921.db2.gz RDTXWQKRFLJPKT-PSASIEDQSA-N 0 0 179.263 2.586 10 0 AFAERN CCCc1scc(N)c1C 307336358 345978934 /nfs/dbraw/zinc/97/89/34/345978934.db2.gz FDAIYWANHKHQGV-UHFFFAOYSA-N 0 0 155.266 2.591 10 0 AFAERN CC(C)(C)[C@H]1C[NH2+][C@H]1c1ccco1 307336440 345979044 /nfs/dbraw/zinc/97/90/44/345979044.db2.gz RDTXWQKRFLJPKT-WCBMZHEXSA-N 0 0 179.263 2.586 10 0 AFAERN CC(C)(C)[C@H]1C[NH2+][C@@H]1c1ccco1 307336442 345979181 /nfs/dbraw/zinc/97/91/81/345979181.db2.gz RDTXWQKRFLJPKT-WPRPVWTQSA-N 0 0 179.263 2.586 10 0 AFAERN Nc1c(F)cccc1-c1ccns1 307336858 345979363 /nfs/dbraw/zinc/97/93/63/345979363.db2.gz BXVHGYOKQOQISA-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1ccc(F)cc1-c1ccsn1 307337445 345979417 /nfs/dbraw/zinc/97/94/17/345979417.db2.gz SZGIYZNIMSLVOB-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN S=c1cccc(-c2ccns2)[nH]1 307337730 345979953 /nfs/dbraw/zinc/97/99/53/345979953.db2.gz GMJIWGCMNYATPL-UHFFFAOYSA-N 0 0 194.284 2.868 10 0 AFAERN FCOc1cc(F)cc(Cl)c1F 307337923 345979960 /nfs/dbraw/zinc/97/99/60/345979960.db2.gz PSNLUGNVQOZMSE-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN CC(C)[C@H](C)C(=O)[C@H]1C[C@@H]1C 307338474 345980382 /nfs/dbraw/zinc/98/03/82/345980382.db2.gz QMHQOIBIEIREII-CIUDSAMLSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@H](C)C(=O)[C@H]1C[C@H]1C 307338478 345980460 /nfs/dbraw/zinc/98/04/60/345980460.db2.gz QMHQOIBIEIREII-VGMNWLOBSA-N 0 0 154.253 2.504 10 0 AFAERN CCc1c(F)c(F)cc(F)c1OC 307338483 345980567 /nfs/dbraw/zinc/98/05/67/345980567.db2.gz QMHXOPVECDBCPD-UHFFFAOYSA-N 0 0 190.164 2.675 10 0 AFAERN CC(C)[C@H](C)C(=O)[C@@H]1C[C@@H]1C 307338480 345980581 /nfs/dbraw/zinc/98/05/81/345980581.db2.gz QMHQOIBIEIREII-XHNCKOQMSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@H](C)C(=O)[C@@H]1C[C@H]1C 307338476 345980714 /nfs/dbraw/zinc/98/07/14/345980714.db2.gz QMHQOIBIEIREII-HRDYMLBCSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1c(N)csc1CC(C)C 307405030 346022061 /nfs/dbraw/zinc/02/20/61/346022061.db2.gz JNROXEQBSQXGSG-UHFFFAOYSA-N 0 0 169.293 2.837 10 0 AFAERN Cc1ccc2c(c1F)C[C@@H](C)C2=O 307340582 345982008 /nfs/dbraw/zinc/98/20/08/345982008.db2.gz JBBFNTRNBJJGCN-SSDOTTSWSA-N 0 0 178.206 2.509 10 0 AFAERN Cc1ccc2c(c1F)C[C@H](C)C2=O 307340584 345982246 /nfs/dbraw/zinc/98/22/46/345982246.db2.gz JBBFNTRNBJJGCN-ZETCQYMHSA-N 0 0 178.206 2.509 10 0 AFAERN O=C(c1ccco1)c1sccc1F 307342034 345982647 /nfs/dbraw/zinc/98/26/47/345982647.db2.gz JXVXOCMBARAOSW-UHFFFAOYSA-N 0 0 196.202 2.711 10 0 AFAERN COc1c(C)ccc(F)c1Cl 307343389 345983846 /nfs/dbraw/zinc/98/38/46/345983846.db2.gz XAJCKOPNHRWMPM-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN CCCN(C)c1csc(Cl)n1 307344285 345983905 /nfs/dbraw/zinc/98/39/05/345983905.db2.gz JVFSMYUAMDGROI-UHFFFAOYSA-N 0 0 190.699 2.643 10 0 AFAERN Cc1c(Cl)ccc(N)c1NC1CC1 307344866 345984384 /nfs/dbraw/zinc/98/43/84/345984384.db2.gz ZYNKSOZXMMBOIP-UHFFFAOYSA-N 0 0 196.681 2.805 10 0 AFAERN c1c[nH]c([C@H]2Cc3ccccc3N2)c1 307347882 345985774 /nfs/dbraw/zinc/98/57/74/345985774.db2.gz NILLIEPTXJTMKA-GFCCVEGCSA-N 0 0 184.242 2.724 10 0 AFAERN CCc1c(C)ccc(F)c1F 307348036 345985814 /nfs/dbraw/zinc/98/58/14/345985814.db2.gz BGQFIIDQTWMHJW-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN C[C@]1(C(=O)C2CCCCC2)C[C@@H]1F 307347759 345985819 /nfs/dbraw/zinc/98/58/19/345985819.db2.gz QRGBLOKTISUBHY-ONGXEEELSA-N 0 0 184.254 2.884 10 0 AFAERN c1c[nH]c([C@@H]2Cc3ccccc3N2)c1 307347885 345985823 /nfs/dbraw/zinc/98/58/23/345985823.db2.gz NILLIEPTXJTMKA-LBPRGKRZSA-N 0 0 184.242 2.724 10 0 AFAERN C[C@]1(C(=O)C2CCCCC2)C[C@H]1F 307347757 345985834 /nfs/dbraw/zinc/98/58/34/345985834.db2.gz QRGBLOKTISUBHY-KOLCDFICSA-N 0 0 184.254 2.884 10 0 AFAERN C[C@@]1(C(=O)C2CCCCC2)C[C@H]1F 307347758 345985849 /nfs/dbraw/zinc/98/58/49/345985849.db2.gz QRGBLOKTISUBHY-MWLCHTKSSA-N 0 0 184.254 2.884 10 0 AFAERN C[C@@]1(C(=O)C2CCCCC2)C[C@@H]1F 307347756 345986097 /nfs/dbraw/zinc/98/60/97/345986097.db2.gz QRGBLOKTISUBHY-GXSJLCMTSA-N 0 0 184.254 2.884 10 0 AFAERN CC(C)[C@H](C)c1nccnc1Cl 307348927 345986334 /nfs/dbraw/zinc/98/63/34/345986334.db2.gz OFCJIYTUINUJBK-ZETCQYMHSA-N 0 0 184.670 2.890 10 0 AFAERN Cc1ccc(N)c(C(F)F)c1 307348938 345986343 /nfs/dbraw/zinc/98/63/43/345986343.db2.gz OFZAPWROMSKMGC-UHFFFAOYSA-N 0 0 157.163 2.515 10 0 AFAERN CC(C)[C@@H](C)c1nccnc1Cl 307348926 345986624 /nfs/dbraw/zinc/98/66/24/345986624.db2.gz OFCJIYTUINUJBK-SSDOTTSWSA-N 0 0 184.670 2.890 10 0 AFAERN Cc1cc(F)cc([C@@]2(O)CC[C@@H]2C)c1 307349881 345986900 /nfs/dbraw/zinc/98/69/00/345986900.db2.gz YXKJIZHZLOPSOQ-JOYOIKCWSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1cc(F)cc([C@@]2(O)CC[C@H]2C)c1 307349877 345987109 /nfs/dbraw/zinc/98/71/09/345987109.db2.gz YXKJIZHZLOPSOQ-BXKDBHETSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1cc(F)cc([C@]2(O)CC[C@@H]2C)c1 307349879 345987133 /nfs/dbraw/zinc/98/71/33/345987133.db2.gz YXKJIZHZLOPSOQ-CABZTGNLSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1cc(F)cc([C@]2(O)CC[C@H]2C)c1 307349883 345987168 /nfs/dbraw/zinc/98/71/68/345987168.db2.gz YXKJIZHZLOPSOQ-SKDRFNHKSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1cc(Cl)nnc1[C@@H]1C[C@H]1C 307351357 345987995 /nfs/dbraw/zinc/98/79/95/345987995.db2.gz UKYMJUSRHLQYRR-IYSWYEEDSA-N 0 0 182.654 2.562 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1nc(N)cs1 307351224 345988000 /nfs/dbraw/zinc/98/80/00/345988000.db2.gz QBUMJAJPONDMMQ-RQJHMYQMSA-N 0 0 182.292 2.629 10 0 AFAERN Cc1cc(Cl)nnc1[C@H]1C[C@@H]1C 307351356 345988001 /nfs/dbraw/zinc/98/80/01/345988001.db2.gz UKYMJUSRHLQYRR-FSPLSTOPSA-N 0 0 182.654 2.562 10 0 AFAERN Cc1cc(Cl)nnc1[C@@H]1C[C@@H]1C 307351355 345988014 /nfs/dbraw/zinc/98/80/14/345988014.db2.gz UKYMJUSRHLQYRR-CAHLUQPWSA-N 0 0 182.654 2.562 10 0 AFAERN Cc1coc(N[C@@H]2CC=CCC2)n1 307351029 345988049 /nfs/dbraw/zinc/98/80/49/345988049.db2.gz BAMGOQMQDCHZJK-SECBINFHSA-N 0 0 178.235 2.504 10 0 AFAERN Cc1coc(N[C@H]2CC=CCC2)n1 307351030 345988181 /nfs/dbraw/zinc/98/81/81/345988181.db2.gz BAMGOQMQDCHZJK-VIFPVBQESA-N 0 0 178.235 2.504 10 0 AFAERN Cc1cc(Cl)nnc1[C@H]1C[C@H]1C 307351358 345988217 /nfs/dbraw/zinc/98/82/17/345988217.db2.gz UKYMJUSRHLQYRR-VDTYLAMSSA-N 0 0 182.654 2.562 10 0 AFAERN CCC1CC(Nc2ncccc2C)C1 307350924 345988259 /nfs/dbraw/zinc/98/82/59/345988259.db2.gz AVWLGHWMTRUZIG-UHFFFAOYSA-N 0 0 190.290 2.991 10 0 AFAERN C[C@H]1CCC[C@@H]1c1nc(N)cs1 307351221 345988277 /nfs/dbraw/zinc/98/82/77/345988277.db2.gz QBUMJAJPONDMMQ-BQBZGAKWSA-N 0 0 182.292 2.629 10 0 AFAERN C[C@H]1CCC[C@H]1c1nc(N)cs1 307351222 345988446 /nfs/dbraw/zinc/98/84/46/345988446.db2.gz QBUMJAJPONDMMQ-NKWVEPMBSA-N 0 0 182.292 2.629 10 0 AFAERN CCOc1c(C)ccc(C)c1OC 307351499 345988451 /nfs/dbraw/zinc/98/84/51/345988451.db2.gz KKBHHUBSOPPOCU-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN CCc1nc2c(s1)[C@H](C)O[C@@H](C)C2 307353171 345989246 /nfs/dbraw/zinc/98/92/46/345989246.db2.gz OBSSDAWBRMWUIP-BQBZGAKWSA-N 0 0 197.303 2.728 10 0 AFAERN CCc1nc2c(s1)[C@@H](C)O[C@@H](C)C2 307353172 345989292 /nfs/dbraw/zinc/98/92/92/345989292.db2.gz OBSSDAWBRMWUIP-NKWVEPMBSA-N 0 0 197.303 2.728 10 0 AFAERN CCc1nc2c(s1)[C@H](C)O[C@H](C)C2 307353174 345989472 /nfs/dbraw/zinc/98/94/72/345989472.db2.gz OBSSDAWBRMWUIP-RQJHMYQMSA-N 0 0 197.303 2.728 10 0 AFAERN Cc1cocc1-c1cnc(C=O)s1 307353449 345989928 /nfs/dbraw/zinc/98/99/28/345989928.db2.gz CNQDQRJTLIQMFA-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(C)=C[C@]1(O)CCC[C@H]2C[C@H]21 307355054 345990349 /nfs/dbraw/zinc/99/03/49/345990349.db2.gz SQHHOJXLBJRJFI-HBNTYKKESA-N 0 0 166.264 2.504 10 0 AFAERN CC(C)=C[C@]1(O)CCC[C@@H]2C[C@@H]21 307355055 345990858 /nfs/dbraw/zinc/99/08/58/345990858.db2.gz SQHHOJXLBJRJFI-OUAUKWLOSA-N 0 0 166.264 2.504 10 0 AFAERN CC[C@H]1C[C@@H]1c1nnc(Cl)s1 307355845 345991142 /nfs/dbraw/zinc/99/11/42/345991142.db2.gz UODXGQLDEGBHSF-WHFBIAKZSA-N 0 0 188.683 2.705 10 0 AFAERN CC[C@@H]1C[C@H]1c1nnc(Cl)s1 307355841 345991158 /nfs/dbraw/zinc/99/11/58/345991158.db2.gz UODXGQLDEGBHSF-RFZPGFLSSA-N 0 0 188.683 2.705 10 0 AFAERN CC[C@@H]1C[C@@H]1c1nnc(Cl)s1 307355843 345991321 /nfs/dbraw/zinc/99/13/21/345991321.db2.gz UODXGQLDEGBHSF-UHNVWZDZSA-N 0 0 188.683 2.705 10 0 AFAERN CC[C@H]1C[C@H]1c1nnc(Cl)s1 307355839 345991333 /nfs/dbraw/zinc/99/13/33/345991333.db2.gz UODXGQLDEGBHSF-CRCLSJGQSA-N 0 0 188.683 2.705 10 0 AFAERN CC(C)(C)C(=O)N[C@@]1(C)CC=CCC1 307357283 345991595 /nfs/dbraw/zinc/99/15/95/345991595.db2.gz CIAIEBPTLULCAO-LBPRGKRZSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)(C)C(=O)N[C@]1(C)CC=CCC1 307357282 345991683 /nfs/dbraw/zinc/99/16/83/345991683.db2.gz CIAIEBPTLULCAO-GFCCVEGCSA-N 0 0 195.306 2.648 10 0 AFAERN C1=C(Cc2ccc[nH]2)CCC1 307357281 345991767 /nfs/dbraw/zinc/99/17/67/345991767.db2.gz CHXKVVBOCVWUKH-UHFFFAOYSA-N 0 0 147.221 2.668 10 0 AFAERN CCc1cc(C)cc(F)c1F 307356657 345991928 /nfs/dbraw/zinc/99/19/28/345991928.db2.gz ZJLXLOKVQPCTMS-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN CNc1ccccc1CC(C)C 307357640 345992201 /nfs/dbraw/zinc/99/22/01/345992201.db2.gz WZELESISGSOJRQ-UHFFFAOYSA-N 0 0 163.264 2.927 10 0 AFAERN Cc1cc(C)nc(C(=O)C2CCC2)c1 307357910 345992251 /nfs/dbraw/zinc/99/22/51/345992251.db2.gz XOPVKBKDCHUDAJ-UHFFFAOYSA-N 0 0 189.258 2.681 10 0 AFAERN CC(C)C[C@]1(O)CCC[C@@H]2C[C@@H]21 307358727 345993027 /nfs/dbraw/zinc/99/30/27/345993027.db2.gz ZLBFYLGHGLLFHP-OUAUKWLOSA-N 0 0 168.280 2.584 10 0 AFAERN CC(C)C[C@]1(O)CCC[C@H]2C[C@H]21 307358726 345993039 /nfs/dbraw/zinc/99/30/39/345993039.db2.gz ZLBFYLGHGLLFHP-HBNTYKKESA-N 0 0 168.280 2.584 10 0 AFAERN CN(C)Cc1cccc(F)c1Cl 307359365 345993240 /nfs/dbraw/zinc/99/32/40/345993240.db2.gz DEWGRISKCNGCGB-UHFFFAOYSA-N 0 0 187.645 2.541 10 0 AFAERN Cc1cn(Cc2cccnc2)cc1C 307359009 345993259 /nfs/dbraw/zinc/99/32/59/345993259.db2.gz BAUXSMZHMZYLDI-UHFFFAOYSA-N 0 0 186.258 2.548 10 0 AFAERN Cc1[nH]c2c(C)csc2c(=O)c1C 307359353 345993596 /nfs/dbraw/zinc/99/35/96/345993596.db2.gz DDRZXCJJWZMZBZ-UHFFFAOYSA-N 0 0 193.271 2.927 10 0 AFAERN CC1(C(=O)c2cscn2)CCCC1 307358896 345993639 /nfs/dbraw/zinc/99/36/39/345993639.db2.gz ZSFYIVNXWNJEBM-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN CC1(C)CCCc2cnc(Cl)nc21 307360388 345993971 /nfs/dbraw/zinc/99/39/71/345993971.db2.gz FTMDNZAOBNHJJK-UHFFFAOYSA-N 0 0 196.681 2.744 10 0 AFAERN Cc1cnc(NCc2ccccc2)o1 307360405 345994099 /nfs/dbraw/zinc/99/40/99/345994099.db2.gz FVSXSHUGGRLAAR-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1cn(CC(C)C)cc1C 307361287 345994325 /nfs/dbraw/zinc/99/43/25/345994325.db2.gz HECMNGGPVPRHPS-UHFFFAOYSA-N 0 0 151.253 2.761 10 0 AFAERN CCC(CC)C1=NC(=O)CS1 307360805 345994627 /nfs/dbraw/zinc/99/46/27/345994627.db2.gz GSYAAPTVWFXRMV-UHFFFAOYSA-N 0 0 171.265 2.752 10 0 AFAERN Cc1ccc(NC2CSC2)cc1C 307366167 345997651 /nfs/dbraw/zinc/99/76/51/345997651.db2.gz KOHGJFFLSDBWKT-UHFFFAOYSA-N 0 0 193.315 2.831 10 0 AFAERN Nc1cc(F)cc(C2=CCCC2)c1 307367108 345997994 /nfs/dbraw/zinc/99/79/94/345997994.db2.gz OAIZXECWNXTLRF-UHFFFAOYSA-N 0 0 177.222 2.975 10 0 AFAERN C/C=C/CNc1nc(C)c(C)s1 307369791 345999864 /nfs/dbraw/zinc/99/98/64/345999864.db2.gz OLEXGADSXYZZHL-SNAWJCMRSA-N 0 0 182.292 2.748 10 0 AFAERN CC(C)[C@H](C)C(=O)[C@H]1CCCC(=O)C1 307370558 346000099 /nfs/dbraw/zinc/00/00/99/346000099.db2.gz SDIPNZOWTSCFIF-UWVGGRQHSA-N 0 0 196.290 2.607 10 0 AFAERN CC(C)[C@@H](C)C(=O)[C@H]1CCCC(=O)C1 307370560 346000150 /nfs/dbraw/zinc/00/01/50/346000150.db2.gz SDIPNZOWTSCFIF-ZJUUUORDSA-N 0 0 196.290 2.607 10 0 AFAERN Cc1nc(C(=O)CC2CCCC2)co1 307370644 346000425 /nfs/dbraw/zinc/00/04/25/346000425.db2.gz PCJLQTUDTSWXBX-UHFFFAOYSA-N 0 0 193.246 2.746 10 0 AFAERN CC(C)[C@H](C)C(=O)[C@@H]1CCCC(=O)C1 307370559 346000490 /nfs/dbraw/zinc/00/04/90/346000490.db2.gz SDIPNZOWTSCFIF-VHSXEESVSA-N 0 0 196.290 2.607 10 0 AFAERN CC(C)[C@@H](C)C(=O)[C@@H]1CCCC(=O)C1 307370557 346000500 /nfs/dbraw/zinc/00/05/00/346000500.db2.gz SDIPNZOWTSCFIF-NXEZZACHSA-N 0 0 196.290 2.607 10 0 AFAERN CCc1cnc(Cl)nc1C1CCC1 307371811 346001300 /nfs/dbraw/zinc/00/13/00/346001300.db2.gz UJLDZXPPWYMKRQ-UHFFFAOYSA-N 0 0 196.681 2.960 10 0 AFAERN CC[C@@H](C)[C@@]1(CO)CC=CCC1 307373011 346001911 /nfs/dbraw/zinc/00/19/11/346001911.db2.gz VUBTWSSGQNIUKZ-MNOVXSKESA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)[C@]1(C)C[C@@H]1n1cnnc1Cl 307373322 346001980 /nfs/dbraw/zinc/00/19/80/346001980.db2.gz RTPUJUHVTYTZRL-CBAPKCEASA-N 0 0 199.685 2.539 10 0 AFAERN CC[C@@H](C)[C@]1(CO)CC=CCC1 307373010 346002011 /nfs/dbraw/zinc/00/20/11/346002011.db2.gz VUBTWSSGQNIUKZ-GHMZBOCLSA-N 0 0 168.280 2.751 10 0 AFAERN CC[C@H](C)[C@]1(CO)CC=CCC1 307373013 346002162 /nfs/dbraw/zinc/00/21/62/346002162.db2.gz VUBTWSSGQNIUKZ-WDEREUQCSA-N 0 0 168.280 2.751 10 0 AFAERN CC[C@H](C)[C@@]1(CO)CC=CCC1 307373012 346002192 /nfs/dbraw/zinc/00/21/92/346002192.db2.gz VUBTWSSGQNIUKZ-QWRGUYRKSA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)[C@]1(C)C[C@H]1n1cnnc1Cl 307373321 346002215 /nfs/dbraw/zinc/00/22/15/346002215.db2.gz RTPUJUHVTYTZRL-APPZFPTMSA-N 0 0 199.685 2.539 10 0 AFAERN CC(C)[C@@]1(C)C[C@H]1n1cnnc1Cl 307373324 346002243 /nfs/dbraw/zinc/00/22/43/346002243.db2.gz RTPUJUHVTYTZRL-VXNVDRBHSA-N 0 0 199.685 2.539 10 0 AFAERN COc1ccc(C(=O)C(C)(C)C)s1 307376144 346003799 /nfs/dbraw/zinc/00/37/99/346003799.db2.gz BMDJAULEIOJYQH-UHFFFAOYSA-N 0 0 198.287 2.986 10 0 AFAERN Cc1cocc1-c1cc(=S)[nH]cn1 307376782 346004257 /nfs/dbraw/zinc/00/42/57/346004257.db2.gz BSFAQPCCKCQCKK-UHFFFAOYSA-N 0 0 192.243 2.708 10 0 AFAERN CCc1ccc(CSC)nc1 307378586 346004890 /nfs/dbraw/zinc/00/48/90/346004890.db2.gz YDBPQAINMOPTCG-UHFFFAOYSA-N 0 0 167.277 2.507 10 0 AFAERN Cc1cocc1-c1ccc(=S)[nH]n1 307379456 346005294 /nfs/dbraw/zinc/00/52/94/346005294.db2.gz YTVRGPNLXMKLIY-UHFFFAOYSA-N 0 0 192.243 2.708 10 0 AFAERN CC(C)Nc1ccc(C(F)F)cn1 307379738 346005383 /nfs/dbraw/zinc/00/53/83/346005383.db2.gz XUCXNJGISGJWEQ-UHFFFAOYSA-N 0 0 186.205 2.840 10 0 AFAERN CC1(C)CCC([C@H](O)C(F)F)CC1 307385536 346008692 /nfs/dbraw/zinc/00/86/92/346008692.db2.gz ILXYIVOXZXQJMZ-QMMMGPOBSA-N 0 0 192.249 2.829 10 0 AFAERN Cc1cocc1C(=O)[C@@]1(C)C[C@H]1F 307387033 346009471 /nfs/dbraw/zinc/00/94/71/346009471.db2.gz LBGWIZFSRACANM-SCZZXKLOSA-N 0 0 182.194 2.519 10 0 AFAERN Cc1cocc1C(=O)[C@@]1(C)C[C@@H]1F 307387035 346009511 /nfs/dbraw/zinc/00/95/11/346009511.db2.gz LBGWIZFSRACANM-WPRPVWTQSA-N 0 0 182.194 2.519 10 0 AFAERN CC(C)c1nc([C@@H]2CC2(C)C)no1 307386875 346009556 /nfs/dbraw/zinc/00/95/56/346009556.db2.gz BOQNVCWRMQTLRM-ZETCQYMHSA-N 0 0 180.251 2.707 10 0 AFAERN Cc1cocc1C(=O)[C@]1(C)C[C@H]1F 307387032 346009605 /nfs/dbraw/zinc/00/96/05/346009605.db2.gz LBGWIZFSRACANM-PSASIEDQSA-N 0 0 182.194 2.519 10 0 AFAERN Cc1cocc1C(=O)[C@]1(C)C[C@@H]1F 307387034 346009621 /nfs/dbraw/zinc/00/96/21/346009621.db2.gz LBGWIZFSRACANM-WCBMZHEXSA-N 0 0 182.194 2.519 10 0 AFAERN CC(C)c1nc([C@H]2CC2(C)C)no1 307386874 346009696 /nfs/dbraw/zinc/00/96/96/346009696.db2.gz BOQNVCWRMQTLRM-SSDOTTSWSA-N 0 0 180.251 2.707 10 0 AFAERN CCCc1cc(C)c(C)cc1N 307388319 346010744 /nfs/dbraw/zinc/01/07/44/346010744.db2.gz GTZUROKLEVQMGQ-UHFFFAOYSA-N 0 0 163.264 2.838 10 0 AFAERN CCc1csc(N[C@H]2CC[C@@H]2C)n1 307389615 346011144 /nfs/dbraw/zinc/01/11/44/346011144.db2.gz QXDYPGZUOJLTCU-CBAPKCEASA-N 0 0 196.319 2.916 10 0 AFAERN CCc1csc(N[C@@H]2CC[C@H]2C)n1 307389617 346011191 /nfs/dbraw/zinc/01/11/91/346011191.db2.gz QXDYPGZUOJLTCU-VXNVDRBHSA-N 0 0 196.319 2.916 10 0 AFAERN CCc1csc(N[C@H]2CC[C@H]2C)n1 307389614 346011252 /nfs/dbraw/zinc/01/12/52/346011252.db2.gz QXDYPGZUOJLTCU-APPZFPTMSA-N 0 0 196.319 2.916 10 0 AFAERN CCc1csc(N[C@@H]2CC[C@@H]2C)n1 307389616 346011348 /nfs/dbraw/zinc/01/13/48/346011348.db2.gz QXDYPGZUOJLTCU-IONNQARKSA-N 0 0 196.319 2.916 10 0 AFAERN CC(=O)c1nc([C@@H]2C[C@H]2C)sc1C 307389881 346011824 /nfs/dbraw/zinc/01/18/24/346011824.db2.gz ACYSITXCKJWBON-SVGQVSJJSA-N 0 0 195.287 2.778 10 0 AFAERN CCc1nc([C@H](O)C=C(C)C)cs1 307392568 346013033 /nfs/dbraw/zinc/01/30/33/346013033.db2.gz YZEHTLGTJCEWJM-SECBINFHSA-N 0 0 197.303 2.705 10 0 AFAERN O=C(C[C@@H]1CCCC1(F)F)C(F)F 307393644 346013420 /nfs/dbraw/zinc/01/34/20/346013420.db2.gz LOSQCAAEYQKBCW-YFKPBYRVSA-N 0 0 198.159 2.646 10 0 AFAERN C[C@H]1CC=C(c2cncc(N)c2)CC1 307393108 346013513 /nfs/dbraw/zinc/01/35/13/346013513.db2.gz AJYRAVOWQKKZBQ-VIFPVBQESA-N 0 0 188.274 2.867 10 0 AFAERN C[C@@H]1CC=C(c2cncc(N)c2)CC1 307393106 346013538 /nfs/dbraw/zinc/01/35/38/346013538.db2.gz AJYRAVOWQKKZBQ-SECBINFHSA-N 0 0 188.274 2.867 10 0 AFAERN Cc1scc(N)c1C(C)(C)C 307393139 346013590 /nfs/dbraw/zinc/01/35/90/346013590.db2.gz ALAOAFBWUUAXQB-UHFFFAOYSA-N 0 0 169.293 2.936 10 0 AFAERN O=C(C[C@H]1CCCC1(F)F)C(F)F 307393643 346013692 /nfs/dbraw/zinc/01/36/92/346013692.db2.gz LOSQCAAEYQKBCW-RXMQYKEDSA-N 0 0 198.159 2.646 10 0 AFAERN CCOc1cc(C)c(C)c(OC)c1 307393841 346014028 /nfs/dbraw/zinc/01/40/28/346014028.db2.gz BABBFNAHNWPNJW-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN CC[C@H]1C[C@]1(O)c1csc(C)c1 307398043 346016775 /nfs/dbraw/zinc/01/67/75/346016775.db2.gz SHPDGKWGWXLDGW-WCBMZHEXSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1csc(C)c1 307398044 346016789 /nfs/dbraw/zinc/01/67/89/346016789.db2.gz SHPDGKWGWXLDGW-WPRPVWTQSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1csc(C)c1 307398041 346016862 /nfs/dbraw/zinc/01/68/62/346016862.db2.gz SHPDGKWGWXLDGW-PSASIEDQSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1csc(C)c1 307398042 346017042 /nfs/dbraw/zinc/01/70/42/346017042.db2.gz SHPDGKWGWXLDGW-SCZZXKLOSA-N 0 0 182.288 2.674 10 0 AFAERN C[C@H](O)CC[C@@H]1CCCC1(F)F 307398447 346017240 /nfs/dbraw/zinc/01/72/40/346017240.db2.gz TUZXPWBXFDGJTH-YUMQZZPRSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@@H](O)CC[C@@H]1CCCC1(F)F 307398446 346017287 /nfs/dbraw/zinc/01/72/87/346017287.db2.gz TUZXPWBXFDGJTH-SFYZADRCSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@@H](O)CC[C@H]1CCCC1(F)F 307398444 346017530 /nfs/dbraw/zinc/01/75/30/346017530.db2.gz TUZXPWBXFDGJTH-HTQZYQBOSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@H](O)CC[C@H]1CCCC1(F)F 307398445 346017548 /nfs/dbraw/zinc/01/75/48/346017548.db2.gz TUZXPWBXFDGJTH-JGVFFNPUSA-N 0 0 178.222 2.583 10 0 AFAERN c1cc([C@H]2CC3CCC2CC3)n[nH]1 307399094 346017893 /nfs/dbraw/zinc/01/78/93/346017893.db2.gz VHFRNZXQYYBHLV-RTBKNWGFSA-N 0 0 176.263 2.703 10 0 AFAERN c1cc([C@@H]2CC3CCC2CC3)n[nH]1 307399095 346018055 /nfs/dbraw/zinc/01/80/55/346018055.db2.gz VHFRNZXQYYBHLV-UDNWOFFPSA-N 0 0 176.263 2.703 10 0 AFAERN CC[C@H](O)C[C@H]1CCCCC1(F)F 307399766 346018356 /nfs/dbraw/zinc/01/83/56/346018356.db2.gz XVFAUOBGRWSJHR-BDAKNGLRSA-N 0 0 192.249 2.973 10 0 AFAERN CC[C@H](O)C[C@@H]1CCCCC1(F)F 307399768 346018361 /nfs/dbraw/zinc/01/83/61/346018361.db2.gz XVFAUOBGRWSJHR-IUCAKERBSA-N 0 0 192.249 2.973 10 0 AFAERN CC[C@@H](O)C[C@@H]1CCCCC1(F)F 307399767 346018375 /nfs/dbraw/zinc/01/83/75/346018375.db2.gz XVFAUOBGRWSJHR-DTWKUNHWSA-N 0 0 192.249 2.973 10 0 AFAERN Cc1cn(C[C@H]2CCCCO2)cc1C 307400105 346018414 /nfs/dbraw/zinc/01/84/14/346018414.db2.gz YYGNEGRMURPIPD-GFCCVEGCSA-N 0 0 193.290 2.674 10 0 AFAERN Cc1cn(C[C@@H]2CCCCO2)cc1C 307400106 346018475 /nfs/dbraw/zinc/01/84/75/346018475.db2.gz YYGNEGRMURPIPD-LBPRGKRZSA-N 0 0 193.290 2.674 10 0 AFAERN CC[C@@H](O)C[C@H]1CCCCC1(F)F 307399769 346018537 /nfs/dbraw/zinc/01/85/37/346018537.db2.gz XVFAUOBGRWSJHR-RKDXNWHRSA-N 0 0 192.249 2.973 10 0 AFAERN N#CN[C@@H]1CCCCC12CCCC2 307400998 346018930 /nfs/dbraw/zinc/01/89/30/346018930.db2.gz APCJNPJZSPAFLI-SNVBAGLBSA-N 0 0 178.279 2.560 10 0 AFAERN N#CN[C@H]1CCCCC12CCCC2 307400992 346018988 /nfs/dbraw/zinc/01/89/88/346018988.db2.gz APCJNPJZSPAFLI-JTQLQIEISA-N 0 0 178.279 2.560 10 0 AFAERN O[C@]1(CCC2CC2)CCC[C@H]2C[C@H]21 307402258 346019934 /nfs/dbraw/zinc/01/99/34/346019934.db2.gz DAEFSUXISSKAKG-TUAOUCFPSA-N 0 0 180.291 2.728 10 0 AFAERN O[C@]1(CCC2CC2)CCC[C@@H]2C[C@@H]21 307402285 346020358 /nfs/dbraw/zinc/02/03/58/346020358.db2.gz DAEFSUXISSKAKG-WOPDTQHZSA-N 0 0 180.291 2.728 10 0 AFAERN Cc1ccc(O)cc1-c1ccoc1 307403169 346020883 /nfs/dbraw/zinc/02/08/83/346020883.db2.gz BYBYCLREHBLVDW-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN CSc1c(C)ccc(F)c1F 307403411 346021424 /nfs/dbraw/zinc/02/14/24/346021424.db2.gz DUFSSYZWJKKUSF-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN Cc1ccc(N[C@@H]2CC[C@@H]2C)cc1O 307405052 346021835 /nfs/dbraw/zinc/02/18/35/346021835.db2.gz CQAOCZNHEUPELR-GZMMTYOYSA-N 0 0 191.274 2.911 10 0 AFAERN Cc1ccc(N[C@H]2CC[C@@H]2C)cc1O 307405054 346021890 /nfs/dbraw/zinc/02/18/90/346021890.db2.gz CQAOCZNHEUPELR-KWQFWETISA-N 0 0 191.274 2.911 10 0 AFAERN Cc1ccc(N[C@H]2CC[C@H]2C)cc1O 307405053 346021945 /nfs/dbraw/zinc/02/19/45/346021945.db2.gz CQAOCZNHEUPELR-KCJUWKMLSA-N 0 0 191.274 2.911 10 0 AFAERN Cc1ccc(N[C@@H]2CC[C@H]2C)cc1O 307405056 346022109 /nfs/dbraw/zinc/02/21/09/346022109.db2.gz CQAOCZNHEUPELR-LDYMZIIASA-N 0 0 191.274 2.911 10 0 AFAERN Cc1csc(-c2noc(N)c2C)c1 307405768 346022620 /nfs/dbraw/zinc/02/26/20/346022620.db2.gz BUPCQLOFYKIVJH-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN Cc1c(N)cccc1-c1ccns1 307405915 346023221 /nfs/dbraw/zinc/02/32/21/346023221.db2.gz FHCBHSBVNROODW-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1c[nH]c(N(C)[C@H](C)C(C)(C)C)n1 307406325 346023244 /nfs/dbraw/zinc/02/32/44/346023244.db2.gz FIRBVPCNRUKBTD-SECBINFHSA-N 0 0 195.310 2.589 10 0 AFAERN COc1cc(C)cc(F)c1Cl 307406439 346023254 /nfs/dbraw/zinc/02/32/54/346023254.db2.gz MNCUSVJRGUFSMK-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN CSc1c(F)ccc(C)c1F 307407931 346024257 /nfs/dbraw/zinc/02/42/57/346024257.db2.gz HLWWXWAKYQZDSQ-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN CC(C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 307408241 346024667 /nfs/dbraw/zinc/02/46/67/346024667.db2.gz OQBVUZHRCXYICI-BBBLOLIVSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccnc(C2=CCCC2)c1N 307408357 346024652 /nfs/dbraw/zinc/02/46/52/346024652.db2.gz LWEVELGEDBXDBG-UHFFFAOYSA-N 0 0 174.247 2.540 10 0 AFAERN CC(C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 307408242 346024673 /nfs/dbraw/zinc/02/46/73/346024673.db2.gz OQBVUZHRCXYICI-IVZWLZJFSA-N 0 0 166.264 2.648 10 0 AFAERN CCc1scc(N)c1C1CC1 307408368 346024675 /nfs/dbraw/zinc/02/46/75/346024675.db2.gz LZEPLAXYJMJCKK-UHFFFAOYSA-N 0 0 167.277 2.770 10 0 AFAERN CC(=O)[C@@H]1CCCC12CCC2 307409248 346025392 /nfs/dbraw/zinc/02/53/92/346025392.db2.gz FOWFMFWTGHBUFS-VIFPVBQESA-N 0 0 152.237 2.546 10 0 AFAERN CC(=O)[C@H]1CCCC12CCC2 307409244 346025493 /nfs/dbraw/zinc/02/54/93/346025493.db2.gz FOWFMFWTGHBUFS-SECBINFHSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cc(C(=O)[C@@H](C)C(C)C)sn1 307411611 346027120 /nfs/dbraw/zinc/02/71/20/346027120.db2.gz PXSRKRLCAADFNC-QMMMGPOBSA-N 0 0 197.303 2.926 10 0 AFAERN Cc1nc(-c2ccoc2C=O)cs1 307412136 346027178 /nfs/dbraw/zinc/02/71/78/346027178.db2.gz GIMKLAQNHMBADC-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1cc(C(=O)[C@H](C)C(C)C)sn1 307411610 346027209 /nfs/dbraw/zinc/02/72/09/346027209.db2.gz PXSRKRLCAADFNC-MRVPVSSYSA-N 0 0 197.303 2.926 10 0 AFAERN Cc1cscc1NC1CC1 307419909 346031018 /nfs/dbraw/zinc/03/10/18/346031018.db2.gz IUAUDVMEUSTMTQ-UHFFFAOYSA-N 0 0 153.250 2.631 10 0 AFAERN Cc1ccc(C2=NC(=O)CS2)s1 307419359 346031064 /nfs/dbraw/zinc/03/10/64/346031064.db2.gz HNGDQUWKFRNSAF-UHFFFAOYSA-N 0 0 197.284 2.886 10 0 AFAERN CCc1cnc(Cl)nc1C1CC1 307423334 346032963 /nfs/dbraw/zinc/03/29/63/346032963.db2.gz PFXGOCRLLRURQB-UHFFFAOYSA-N 0 0 182.654 2.570 10 0 AFAERN Cc1cocc1C(=O)C(C)(C)F 307422991 346033086 /nfs/dbraw/zinc/03/30/86/346033086.db2.gz NLEYLUVZLFWDIM-UHFFFAOYSA-N 0 0 170.183 2.519 10 0 AFAERN CCC1(n2cnnc2Cl)CCCC1 307424352 346033653 /nfs/dbraw/zinc/03/36/53/346033653.db2.gz PVVPXPMVBKNMKX-UHFFFAOYSA-N 0 0 199.685 2.611 10 0 AFAERN C/C=C/CNc1cccc(N)c1C 307425238 346033717 /nfs/dbraw/zinc/03/37/17/346033717.db2.gz PFGJBSBOXJBJTH-ONEGZZNKSA-N 0 0 176.263 2.565 10 0 AFAERN O[C@]1(C2=CCCCC2)CC[C@H]2C[C@H]21 307424817 346033781 /nfs/dbraw/zinc/03/37/81/346033781.db2.gz VVOKPRNAEOIXSM-WCQGTBRESA-N 0 0 178.275 2.648 10 0 AFAERN O[C@]1(C2=CCCCC2)CC[C@@H]2C[C@@H]21 307424816 346033853 /nfs/dbraw/zinc/03/38/53/346033853.db2.gz VVOKPRNAEOIXSM-USWWRNFRSA-N 0 0 178.275 2.648 10 0 AFAERN FCOc1c(F)cc(Cl)cc1F 307427554 346034722 /nfs/dbraw/zinc/03/47/22/346034722.db2.gz HARCVYBAHVMFQN-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN Fc1cnc(C(F)(F)F)cc1Cl 307427389 346034731 /nfs/dbraw/zinc/03/47/31/346034731.db2.gz SJHNSJSNBXVVHH-UHFFFAOYSA-N 0 0 199.534 2.893 10 0 AFAERN C[C@@H]1Cc2cnc(Cl)nc2[C@@H](C)C1 307428607 346035095 /nfs/dbraw/zinc/03/50/95/346035095.db2.gz UIFOIAQNCTXORI-BQBZGAKWSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2cnc(Cl)nc21 307428610 346035209 /nfs/dbraw/zinc/03/52/09/346035209.db2.gz UIFOIAQNCTXORI-RQJHMYQMSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@H]1Cc2cnc(Cl)nc2[C@H](C)C1 307428609 346035267 /nfs/dbraw/zinc/03/52/67/346035267.db2.gz UIFOIAQNCTXORI-RNFRBKRXSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@@H]1Cc2cnc(Cl)nc2[C@H](C)C1 307428608 346035298 /nfs/dbraw/zinc/03/52/98/346035298.db2.gz UIFOIAQNCTXORI-NKWVEPMBSA-N 0 0 196.681 2.816 10 0 AFAERN CC1(C(=O)c2ccns2)CCCC1 307431614 346036143 /nfs/dbraw/zinc/03/61/43/346036143.db2.gz XXJHOOFVOFQYFD-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN CSc1cc(C)cc(F)c1F 307430846 346036149 /nfs/dbraw/zinc/03/61/49/346036149.db2.gz KONCMRZVJJSUDU-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN CCc1c(C)ccc(C)c1OC 307431533 346036426 /nfs/dbraw/zinc/03/64/26/346036426.db2.gz LQOHRZTTZQRGTM-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN Cc1nnc(Cl)n1C1CC(C)(C)C1 307433682 346037333 /nfs/dbraw/zinc/03/73/33/346037333.db2.gz KVGMVCQAZNQRON-UHFFFAOYSA-N 0 0 199.685 2.601 10 0 AFAERN FCOc1ccc(F)c(Cl)c1F 307435396 346038543 /nfs/dbraw/zinc/03/85/43/346038543.db2.gz NUJRRUUTOWCRRQ-UHFFFAOYSA-N 0 0 196.555 2.924 10 0 AFAERN Cc1sc([C@@H]2CCC[C@@H]2C)nc1N 307435793 346039062 /nfs/dbraw/zinc/03/90/62/346039062.db2.gz KTVYYGLAQGHVEI-POYBYMJQSA-N 0 0 196.319 2.937 10 0 AFAERN Cc1sc([C@@H]2CCC[C@H]2C)nc1N 307435790 346039085 /nfs/dbraw/zinc/03/90/85/346039085.db2.gz KTVYYGLAQGHVEI-HTRCEHHLSA-N 0 0 196.319 2.937 10 0 AFAERN Cc1sc([C@H]2CCC[C@@H]2C)nc1N 307435797 346039141 /nfs/dbraw/zinc/03/91/41/346039141.db2.gz KTVYYGLAQGHVEI-XPUUQOCRSA-N 0 0 196.319 2.937 10 0 AFAERN Cc1sc([C@H]2CCC[C@H]2C)nc1N 307435794 346039266 /nfs/dbraw/zinc/03/92/66/346039266.db2.gz KTVYYGLAQGHVEI-SVRRBLITSA-N 0 0 196.319 2.937 10 0 AFAERN C[C@@H]1CC=C(c2cccc(=O)[nH]2)CC1 307438644 346040048 /nfs/dbraw/zinc/04/00/48/346040048.db2.gz VYWFHECPFVPUNH-SECBINFHSA-N 0 0 189.258 2.991 10 0 AFAERN C[C@H]1CC=C(c2cccc(=O)[nH]2)CC1 307438645 346040168 /nfs/dbraw/zinc/04/01/68/346040168.db2.gz VYWFHECPFVPUNH-VIFPVBQESA-N 0 0 189.258 2.991 10 0 AFAERN O=Cc1c(F)ccc(F)c1C(F)F 307438714 346040628 /nfs/dbraw/zinc/04/06/28/346040628.db2.gz UEFWLFZIUWOGKG-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN Cc1cc(OC(F)F)cc(O)c1C 307439716 346041129 /nfs/dbraw/zinc/04/11/29/346041129.db2.gz VTFCKKJWTKKUNH-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN CC1(C)CC(Nc2nccs2)C1 307440073 346041194 /nfs/dbraw/zinc/04/11/94/346041194.db2.gz WRTQZGPTRIMSDS-UHFFFAOYSA-N 0 0 182.292 2.744 10 0 AFAERN Cc1cc(N)c(C(F)(F)F)cc1F 307440382 346041412 /nfs/dbraw/zinc/04/14/12/346041412.db2.gz XQXGFRWCCAIFPX-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN COc1c(C)cc(Cl)cc1F 307441763 346042378 /nfs/dbraw/zinc/04/23/78/346042378.db2.gz ZMMFPLWZAMFWRL-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN CCOc1c(C)cc(F)cc1F 307441814 346042448 /nfs/dbraw/zinc/04/24/48/346042448.db2.gz ZTOCIOBURIQNRM-UHFFFAOYSA-N 0 0 172.174 2.672 10 0 AFAERN CC1(CC(=O)C(C)(C)F)CCC1 307443772 346043535 /nfs/dbraw/zinc/04/35/35/346043535.db2.gz CJHRTOQLNURSFW-UHFFFAOYSA-N 0 0 172.243 2.884 10 0 AFAERN CCC(CC)[C@]1(O)CSC[C@@H]1C 307444909 346044404 /nfs/dbraw/zinc/04/44/04/346044404.db2.gz DRILRNRBZLSOSR-WPRPVWTQSA-N 0 0 188.336 2.537 10 0 AFAERN CCC(CC)[C@@]1(O)CSC[C@H]1C 307444903 346044471 /nfs/dbraw/zinc/04/44/71/346044471.db2.gz DRILRNRBZLSOSR-PSASIEDQSA-N 0 0 188.336 2.537 10 0 AFAERN CCC(CC)[C@]1(O)CSC[C@H]1C 307444905 346044565 /nfs/dbraw/zinc/04/45/65/346044565.db2.gz DRILRNRBZLSOSR-SCZZXKLOSA-N 0 0 188.336 2.537 10 0 AFAERN CCC(CC)[C@@]1(O)CSC[C@@H]1C 307444907 346044619 /nfs/dbraw/zinc/04/46/19/346044619.db2.gz DRILRNRBZLSOSR-WCBMZHEXSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@H]1SCC[C@H]1n1cccc1 307445583 346044928 /nfs/dbraw/zinc/04/49/28/346044928.db2.gz FZHSRYBLQKZEJO-RKDXNWHRSA-N 0 0 167.277 2.555 10 0 AFAERN CC(=O)c1ccc(C)c(Cl)c1F 307445573 346045036 /nfs/dbraw/zinc/04/50/36/346045036.db2.gz FXTIUYVFAXQCDO-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN C[C@H]1SCC[C@@H]1n1cccc1 307445580 346045059 /nfs/dbraw/zinc/04/50/59/346045059.db2.gz FZHSRYBLQKZEJO-BDAKNGLRSA-N 0 0 167.277 2.555 10 0 AFAERN C[C@@H]1SCC[C@@H]1n1cccc1 307445582 346045132 /nfs/dbraw/zinc/04/51/32/346045132.db2.gz FZHSRYBLQKZEJO-IUCAKERBSA-N 0 0 167.277 2.555 10 0 AFAERN C[C@@H]1SCC[C@H]1n1cccc1 307445581 346045136 /nfs/dbraw/zinc/04/51/36/346045136.db2.gz FZHSRYBLQKZEJO-DTWKUNHWSA-N 0 0 167.277 2.555 10 0 AFAERN CC1(C)OCC[C@@H]1Nc1ccsc1 307447773 346045932 /nfs/dbraw/zinc/04/59/32/346045932.db2.gz JTGDOEMVETZEGL-VIFPVBQESA-N 0 0 197.303 2.728 10 0 AFAERN CC1(C)OCC[C@H]1Nc1ccsc1 307447770 346046177 /nfs/dbraw/zinc/04/61/77/346046177.db2.gz JTGDOEMVETZEGL-SECBINFHSA-N 0 0 197.303 2.728 10 0 AFAERN O=C(c1ccoc1)C1CC(F)(F)C1 307448296 346046390 /nfs/dbraw/zinc/04/63/90/346046390.db2.gz QIFOBUOVQHGWOV-UHFFFAOYSA-N 0 0 186.157 2.508 10 0 AFAERN C=Cc1cc(Cl)c(F)cc1O 307448869 346046407 /nfs/dbraw/zinc/04/64/07/346046407.db2.gz LPBMKQVHABAESR-UHFFFAOYSA-N 0 0 172.586 2.828 10 0 AFAERN Cc1cc(F)cc(C(F)(F)F)c1N 307448344 346046635 /nfs/dbraw/zinc/04/66/35/346046635.db2.gz LGUDOZILYBHZOP-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN Cc1ccc(C(=O)C(F)F)c(F)c1 307449472 346046979 /nfs/dbraw/zinc/04/69/79/346046979.db2.gz QZUKOLRPRGRSPC-UHFFFAOYSA-N 0 0 188.148 2.582 10 0 AFAERN C[C@H]([C@@H](O)c1ccoc1)C(C)(C)C 307449746 346047006 /nfs/dbraw/zinc/04/70/06/346047006.db2.gz OBXIUPMHXKKIQT-PSASIEDQSA-N 0 0 182.263 2.995 10 0 AFAERN CCOc1c(F)ccc(C)c1C 307449282 346047217 /nfs/dbraw/zinc/04/72/17/346047217.db2.gz MOIRIQUCOOTOCC-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN Oc1cc(F)ccc1-c1ccsn1 307450082 346047670 /nfs/dbraw/zinc/04/76/70/346047670.db2.gz NZIXYHUPMGGAAH-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN C[C@H]([C@H](O)c1ccoc1)C(C)(C)C 307449749 346047711 /nfs/dbraw/zinc/04/77/11/346047711.db2.gz OBXIUPMHXKKIQT-SCZZXKLOSA-N 0 0 182.263 2.995 10 0 AFAERN C[C@@H]([C@@H](O)c1ccoc1)C(C)(C)C 307449751 346047739 /nfs/dbraw/zinc/04/77/39/346047739.db2.gz OBXIUPMHXKKIQT-WCBMZHEXSA-N 0 0 182.263 2.995 10 0 AFAERN C[C@@H]([C@H](O)c1ccoc1)C(C)(C)C 307449754 346047754 /nfs/dbraw/zinc/04/77/54/346047754.db2.gz OBXIUPMHXKKIQT-WPRPVWTQSA-N 0 0 182.263 2.995 10 0 AFAERN CC(F)(F)C(=O)c1cccc(F)c1 307451597 346048166 /nfs/dbraw/zinc/04/81/66/346048166.db2.gz QXJUWWTZYVLYBE-UHFFFAOYSA-N 0 0 188.148 2.664 10 0 AFAERN O=Cc1ccc(C(F)F)c(F)c1F 307451300 346048209 /nfs/dbraw/zinc/04/82/09/346048209.db2.gz QECFAAMYOSVUFU-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN COc1c(CF)cc(F)c(F)c1F 307451436 346048318 /nfs/dbraw/zinc/04/83/18/346048318.db2.gz SBQMJTLPPYZCAE-UHFFFAOYSA-N 0 0 194.127 2.582 10 0 AFAERN Cc1cc(C[C@@H]2CC[C@H](O)C2)cs1 307452651 346048799 /nfs/dbraw/zinc/04/87/99/346048799.db2.gz UBIZCPCMFWHPHE-ONGXEEELSA-N 0 0 196.315 2.760 10 0 AFAERN CCOc1c(C)cc(F)cc1C 307452030 346048809 /nfs/dbraw/zinc/04/88/09/346048809.db2.gz UIZWSDQAZQLSBP-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN Cc1cc(C[C@H]2CC[C@H](O)C2)cs1 307452649 346048872 /nfs/dbraw/zinc/04/88/72/346048872.db2.gz UBIZCPCMFWHPHE-KOLCDFICSA-N 0 0 196.315 2.760 10 0 AFAERN Cc1cc(C[C@@H]2CC[C@@H](O)C2)cs1 307452648 346048922 /nfs/dbraw/zinc/04/89/22/346048922.db2.gz UBIZCPCMFWHPHE-GXSJLCMTSA-N 0 0 196.315 2.760 10 0 AFAERN Cc1cc(C[C@H]2CC[C@@H](O)C2)cs1 307452650 346048935 /nfs/dbraw/zinc/04/89/35/346048935.db2.gz UBIZCPCMFWHPHE-MWLCHTKSSA-N 0 0 196.315 2.760 10 0 AFAERN CC[C@H](C)C[C@]1(O)CCC[C@H]2C[C@H]21 307452929 346049104 /nfs/dbraw/zinc/04/91/04/346049104.db2.gz UHZTYCOVSKDHHP-NNYUYHANSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccc(C(=O)[C@]2(C)C[C@@H]2F)o1 307453232 346049294 /nfs/dbraw/zinc/04/92/94/346049294.db2.gz RWCXBZAJDUYYRJ-WCBMZHEXSA-N 0 0 182.194 2.519 10 0 AFAERN Cc1ccc(C(=O)[C@@]2(C)C[C@@H]2F)o1 307453235 346049386 /nfs/dbraw/zinc/04/93/86/346049386.db2.gz RWCXBZAJDUYYRJ-WPRPVWTQSA-N 0 0 182.194 2.519 10 0 AFAERN CC[C@H](C)C[C@]1(O)CCC[C@@H]2C[C@@H]21 307452930 346049436 /nfs/dbraw/zinc/04/94/36/346049436.db2.gz UHZTYCOVSKDHHP-WHOHXGKFSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccc(C(=O)[C@]2(C)C[C@H]2F)o1 307453226 346049459 /nfs/dbraw/zinc/04/94/59/346049459.db2.gz RWCXBZAJDUYYRJ-PSASIEDQSA-N 0 0 182.194 2.519 10 0 AFAERN CC(=O)c1nc(C2(C)CC2)sc1C 307454240 346049759 /nfs/dbraw/zinc/04/97/59/346049759.db2.gz WAVSERRPXQXYMR-UHFFFAOYSA-N 0 0 195.287 2.706 10 0 AFAERN Oc1ccc(-c2ccns2)cc1F 307454122 346049846 /nfs/dbraw/zinc/04/98/46/346049846.db2.gz WHDRPKIBAHNBHM-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Clc1cnc(C2=CCCC2)cn1 307453858 346049922 /nfs/dbraw/zinc/04/99/22/346049922.db2.gz VDXWLPDGXBYVKT-UHFFFAOYSA-N 0 0 180.638 2.697 10 0 AFAERN CC[C@@H]1C[C@H]1[C@H](O)C1CCCC1 307456277 346051376 /nfs/dbraw/zinc/05/13/76/346051376.db2.gz FOJFLAWUACYQHI-FBIMIBRVSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@@H]1C[C@H]1[C@@H](O)C1CCCC1 307456278 346051646 /nfs/dbraw/zinc/05/16/46/346051646.db2.gz FOJFLAWUACYQHI-IEBDPFPHSA-N 0 0 168.280 2.584 10 0 AFAERN Cc1ccc(N)c(-c2ccsn2)c1 307459016 346053467 /nfs/dbraw/zinc/05/34/67/346053467.db2.gz ANHGMXRBOGCOQK-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN COC(=O)Nc1sc(C)c(C)c1C 307461247 346054188 /nfs/dbraw/zinc/05/41/88/346054188.db2.gz FPUOHJFQOBQAOS-UHFFFAOYSA-N 0 0 199.275 2.852 10 0 AFAERN CC1(c2ncsc2N)CCCC1 307461466 346054237 /nfs/dbraw/zinc/05/42/37/346054237.db2.gz DKFVMIORFSGFHP-UHFFFAOYSA-N 0 0 182.292 2.557 10 0 AFAERN CCC[C@H](C)c1noc(Cl)n1 307462513 346055073 /nfs/dbraw/zinc/05/50/73/346055073.db2.gz JXLGKSJKFWLORL-YFKPBYRVSA-N 0 0 174.631 2.627 10 0 AFAERN CCC[C@@H](C)c1noc(Cl)n1 307462511 346055089 /nfs/dbraw/zinc/05/50/89/346055089.db2.gz JXLGKSJKFWLORL-RXMQYKEDSA-N 0 0 174.631 2.627 10 0 AFAERN Nc1cc(F)cc(-c2ccsn2)c1 307463193 346055612 /nfs/dbraw/zinc/05/56/12/346055612.db2.gz FJDNPPPGTAJSCV-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CCOc1ccc(OC)c(C)c1C 307463137 346055652 /nfs/dbraw/zinc/05/56/52/346055652.db2.gz GRQLAOQDJHFCJQ-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN O=C1CCCC[C@H](c2cscn2)C1 307464062 346056154 /nfs/dbraw/zinc/05/61/54/346056154.db2.gz HARCBBMTSBJEOV-QMMMGPOBSA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCC[C@@H](c2cscn2)C1 307464060 346056242 /nfs/dbraw/zinc/05/62/42/346056242.db2.gz HARCBBMTSBJEOV-MRVPVSSYSA-N 0 0 195.287 2.760 10 0 AFAERN C/C=C/CNc1cc(C)ccc1N 307464525 346056487 /nfs/dbraw/zinc/05/64/87/346056487.db2.gz CQINQULZOXRJDW-ONEGZZNKSA-N 0 0 176.263 2.565 10 0 AFAERN CC1(C2=NC(=O)CS2)CCCC1 307464331 346056720 /nfs/dbraw/zinc/05/67/20/346056720.db2.gz LMRINCJASIPYIU-UHFFFAOYSA-N 0 0 183.276 2.680 10 0 AFAERN Cc1ccc(-c2ccns2)c(N)c1 307466408 346057681 /nfs/dbraw/zinc/05/76/81/346057681.db2.gz KESZHXBAKCJAQT-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCC[C@H](C)[C@]1(O)CC[C@H]2C[C@H]21 307466456 346057685 /nfs/dbraw/zinc/05/76/85/346057685.db2.gz JUMGSLZIMPLCHZ-UKKRHICBSA-N 0 0 168.280 2.584 10 0 AFAERN Fc1cc(=S)c(C(F)(F)F)c[nH]1 307466529 346057723 /nfs/dbraw/zinc/05/77/23/346057723.db2.gz NVZFFRWEOVYOEB-UHFFFAOYSA-N 0 0 197.156 2.528 10 0 AFAERN CCC[C@H](C)[C@]1(O)CC[C@@H]2C[C@@H]21 307466458 346057829 /nfs/dbraw/zinc/05/78/29/346057829.db2.gz JUMGSLZIMPLCHZ-ZRUFSTJUSA-N 0 0 168.280 2.584 10 0 AFAERN Cc1ccc(N)c(-c2ccns2)c1 307467478 346058369 /nfs/dbraw/zinc/05/83/69/346058369.db2.gz LCWFGLRXYSJHBC-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC1(CC(=O)C2CC2)CCC1 307469850 346059420 /nfs/dbraw/zinc/05/94/20/346059420.db2.gz NNZWQJMMAVWKJX-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@]1(C(=O)c2ccccc2)C[C@@H]1F 307472180 346060895 /nfs/dbraw/zinc/06/08/95/346060895.db2.gz SLVJAOZWQQKMOU-ONGXEEELSA-N 0 0 178.206 2.617 10 0 AFAERN C[C@@]1(C(=O)c2ccccc2)C[C@@H]1F 307472177 346060936 /nfs/dbraw/zinc/06/09/36/346060936.db2.gz SLVJAOZWQQKMOU-GXSJLCMTSA-N 0 0 178.206 2.617 10 0 AFAERN C[C@]1(C(=O)c2ccccc2)C[C@H]1F 307472178 346061074 /nfs/dbraw/zinc/06/10/74/346061074.db2.gz SLVJAOZWQQKMOU-KOLCDFICSA-N 0 0 178.206 2.617 10 0 AFAERN C[C@@]1(C(=O)c2ccccc2)C[C@H]1F 307472179 346061097 /nfs/dbraw/zinc/06/10/97/346061097.db2.gz SLVJAOZWQQKMOU-MWLCHTKSSA-N 0 0 178.206 2.617 10 0 AFAERN CSc1cc(C)c(F)cc1F 307472979 346061468 /nfs/dbraw/zinc/06/14/68/346061468.db2.gz UPSBBWXLDJIVBW-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN Cc1csc2c1NCC[C@@H]2C 307473978 346062055 /nfs/dbraw/zinc/06/20/55/346062055.db2.gz IOXPXCXTWQMYAM-LURJTMIESA-N 0 0 167.277 2.976 10 0 AFAERN Cc1csc2c1NCC[C@H]2C 307473979 346062105 /nfs/dbraw/zinc/06/21/05/346062105.db2.gz IOXPXCXTWQMYAM-ZCFIWIBFSA-N 0 0 167.277 2.976 10 0 AFAERN CC1([C@@H](N)C(F)(F)F)CCCCC1 307475506 346063093 /nfs/dbraw/zinc/06/30/93/346063093.db2.gz KKRQINQLMLIENW-SSDOTTSWSA-N 0 0 195.228 2.846 10 0 AFAERN CC1([C@H](N)C(F)(F)F)CCCCC1 307475507 346063095 /nfs/dbraw/zinc/06/30/95/346063095.db2.gz KKRQINQLMLIENW-ZETCQYMHSA-N 0 0 195.228 2.846 10 0 AFAERN C[C@@H]1CCC[C@@H]1C1=NC(=O)CS1 307478406 346064555 /nfs/dbraw/zinc/06/45/55/346064555.db2.gz NCEJOXVWENIPKV-RQJHMYQMSA-N 0 0 183.276 2.752 10 0 AFAERN C[C@@H]1CCC[C@H]1C1=NC(=O)CS1 307478404 346064718 /nfs/dbraw/zinc/06/47/18/346064718.db2.gz NCEJOXVWENIPKV-RNFRBKRXSA-N 0 0 183.276 2.752 10 0 AFAERN C[C@H]1CCC[C@H]1C1=NC(=O)CS1 307478403 346064770 /nfs/dbraw/zinc/06/47/70/346064770.db2.gz NCEJOXVWENIPKV-NKWVEPMBSA-N 0 0 183.276 2.752 10 0 AFAERN C[C@H]1CCC[C@@H]1C1=NC(=O)CS1 307478402 346064818 /nfs/dbraw/zinc/06/48/18/346064818.db2.gz NCEJOXVWENIPKV-BQBZGAKWSA-N 0 0 183.276 2.752 10 0 AFAERN S=c1cccc(-c2cscn2)[nH]1 307482701 346067286 /nfs/dbraw/zinc/06/72/86/346067286.db2.gz ROMDZTOYRDNVGA-UHFFFAOYSA-N 0 0 194.284 2.868 10 0 AFAERN CC(C)Sc1c(N)cccc1F 307483285 346067288 /nfs/dbraw/zinc/06/72/88/346067288.db2.gz ABWRVCLAZFYRKY-UHFFFAOYSA-N 0 0 185.267 2.908 10 0 AFAERN CC(C)[C@H](Nc1nccs1)C1CC1 307483964 346067837 /nfs/dbraw/zinc/06/78/37/346067837.db2.gz SXJZGUDMCDMOSK-VIFPVBQESA-N 0 0 196.319 2.990 10 0 AFAERN CC(C)[C@@H](Nc1nccs1)C1CC1 307483963 346067957 /nfs/dbraw/zinc/06/79/57/346067957.db2.gz SXJZGUDMCDMOSK-SECBINFHSA-N 0 0 196.319 2.990 10 0 AFAERN O=C1CCC[C@@H]1CC1=CCCC1 307484359 346068325 /nfs/dbraw/zinc/06/83/25/346068325.db2.gz AYUZQOBUSHSJRD-SNVBAGLBSA-N 0 0 164.248 2.856 10 0 AFAERN O=C1CCC[C@H]1CC1=CCCC1 307484357 346068425 /nfs/dbraw/zinc/06/84/25/346068425.db2.gz AYUZQOBUSHSJRD-JTQLQIEISA-N 0 0 164.248 2.856 10 0 AFAERN CSCCc1ccccc1F 307485192 346068940 /nfs/dbraw/zinc/06/89/40/346068940.db2.gz ABIABETZGCKCIL-UHFFFAOYSA-N 0 0 170.252 2.731 10 0 AFAERN CC1(c2noc(Cl)n2)CCCC1 307485420 346068971 /nfs/dbraw/zinc/06/89/71/346068971.db2.gz UJNVOJLTCXXPBH-UHFFFAOYSA-N 0 0 186.642 2.555 10 0 AFAERN Fc1cc(C(F)(F)F)ncc1Cl 307485917 346069230 /nfs/dbraw/zinc/06/92/30/346069230.db2.gz AFIHDSAYMAPNDF-UHFFFAOYSA-N 0 0 199.534 2.893 10 0 AFAERN COc1cc(C)c(Cl)c(F)c1 307485794 346069420 /nfs/dbraw/zinc/06/94/20/346069420.db2.gz BCGKZOXVRFYRQI-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN CC[C@]1(C)C[C@H]1n1c(C)c[nH]c1=S 307488165 346070028 /nfs/dbraw/zinc/07/00/28/346070028.db2.gz CYHOAQKYSOCTRI-PSASIEDQSA-N 0 0 196.319 2.841 10 0 AFAERN CC[C@@]1(C)C[C@@H]1n1c(C)c[nH]c1=S 307488168 346070116 /nfs/dbraw/zinc/07/01/16/346070116.db2.gz CYHOAQKYSOCTRI-WPRPVWTQSA-N 0 0 196.319 2.841 10 0 AFAERN CC[C@@]1(C)C[C@H]1n1c(C)c[nH]c1=S 307488166 346070163 /nfs/dbraw/zinc/07/01/63/346070163.db2.gz CYHOAQKYSOCTRI-SCZZXKLOSA-N 0 0 196.319 2.841 10 0 AFAERN CC[C@]1(C)C[C@@H]1n1c(C)c[nH]c1=S 307488167 346070254 /nfs/dbraw/zinc/07/02/54/346070254.db2.gz CYHOAQKYSOCTRI-WCBMZHEXSA-N 0 0 196.319 2.841 10 0 AFAERN CCc1cc(Cl)nnc1C1CC1 307491004 346071839 /nfs/dbraw/zinc/07/18/39/346071839.db2.gz GHIXDZPSMTZELI-UHFFFAOYSA-N 0 0 182.654 2.570 10 0 AFAERN CC1(Cc2nnc(Cl)s2)CC1 307491980 346072201 /nfs/dbraw/zinc/07/22/01/346072201.db2.gz HBLXYCOUUGEMIR-UHFFFAOYSA-N 0 0 188.683 2.534 10 0 AFAERN Cc1ccncc1N[C@@H]1C[C@H](C)[C@@H]1C 307492407 346072229 /nfs/dbraw/zinc/07/22/29/346072229.db2.gz GZHKSWXAPUMRCA-GARJFASQSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccncc1N[C@@H]1C[C@@H](C)[C@@H]1C 307492410 346072274 /nfs/dbraw/zinc/07/22/74/346072274.db2.gz GZHKSWXAPUMRCA-OUAUKWLOSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccncc1N[C@@H]1C[C@@H](C)[C@H]1C 307492408 346072309 /nfs/dbraw/zinc/07/23/09/346072309.db2.gz GZHKSWXAPUMRCA-GMTAPVOTSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccncc1N[C@@H]1C[C@H](C)[C@H]1C 307492409 346072503 /nfs/dbraw/zinc/07/25/03/346072503.db2.gz GZHKSWXAPUMRCA-HBNTYKKESA-N 0 0 190.290 2.846 10 0 AFAERN FC(F)(F)CSCC1CC1 307492986 346072962 /nfs/dbraw/zinc/07/29/62/346072962.db2.gz HOBCTLSUZOJDSJ-UHFFFAOYSA-N 0 0 170.199 2.692 10 0 AFAERN Nc1cc(F)cc(-c2cscn2)c1 307493950 346073750 /nfs/dbraw/zinc/07/37/50/346073750.db2.gz FDESDCIIHOEVJB-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN O=C1CCC[C@H]1CC1CC(F)(F)C1 307496469 346075042 /nfs/dbraw/zinc/07/50/42/346075042.db2.gz JCLLIKBUMGRTJN-QMMMGPOBSA-N 0 0 188.217 2.791 10 0 AFAERN O=C1CCC[C@@H]1CC1CC(F)(F)C1 307496465 346075132 /nfs/dbraw/zinc/07/51/32/346075132.db2.gz JCLLIKBUMGRTJN-MRVPVSSYSA-N 0 0 188.217 2.791 10 0 AFAERN Cc1ccc(C(=O)C(C)C)nc1C 307496234 346075193 /nfs/dbraw/zinc/07/51/93/346075193.db2.gz CLMIVCCBAMQGDX-UHFFFAOYSA-N 0 0 177.247 2.537 10 0 AFAERN C[C@H]([C@H](O)C1=CCCCO1)C(C)(C)C 307498829 346075795 /nfs/dbraw/zinc/07/57/95/346075795.db2.gz KZMYYSKDWWELPF-KOLCDFICSA-N 0 0 198.306 2.724 10 0 AFAERN C[C@@H]([C@H](O)C1=CCCCO1)C(C)(C)C 307498833 346075896 /nfs/dbraw/zinc/07/58/96/346075896.db2.gz KZMYYSKDWWELPF-ONGXEEELSA-N 0 0 198.306 2.724 10 0 AFAERN COc1c(F)cc(F)c(CF)c1F 307499009 346075913 /nfs/dbraw/zinc/07/59/13/346075913.db2.gz KTYXBOPWUOYPTL-UHFFFAOYSA-N 0 0 194.127 2.582 10 0 AFAERN C[C@H]([C@@H](O)C1=CCCCO1)C(C)(C)C 307498831 346076044 /nfs/dbraw/zinc/07/60/44/346076044.db2.gz KZMYYSKDWWELPF-MWLCHTKSSA-N 0 0 198.306 2.724 10 0 AFAERN CCOc1cc(C)c(F)c(C)c1 307499067 346076046 /nfs/dbraw/zinc/07/60/46/346076046.db2.gz QIHFXCCRPPOVCA-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN COC(C)(C)CNc1ccc(F)cc1 307499253 346076373 /nfs/dbraw/zinc/07/63/73/346076373.db2.gz LCYBKGNZPHVXBL-UHFFFAOYSA-N 0 0 197.253 2.663 10 0 AFAERN CC(C)(C)CNc1cnc(Cl)cn1 307499631 346076541 /nfs/dbraw/zinc/07/65/41/346076541.db2.gz RNGQLRSAESTTHJ-UHFFFAOYSA-N 0 0 199.685 2.588 10 0 AFAERN Cc1cnc(Cl)nc1[C@@H]1CC1(C)C 307500923 346077223 /nfs/dbraw/zinc/07/72/23/346077223.db2.gz MTTPUTORHDJQRV-ZETCQYMHSA-N 0 0 196.681 2.952 10 0 AFAERN Cc1cnc(Cl)nc1[C@H]1CC1(C)C 307500921 346077232 /nfs/dbraw/zinc/07/72/32/346077232.db2.gz MTTPUTORHDJQRV-SSDOTTSWSA-N 0 0 196.681 2.952 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)c2ccsn2)C1 307509065 346081789 /nfs/dbraw/zinc/08/17/89/346081789.db2.gz CAESDOZOIJRCDG-WEDXCCLWSA-N 0 0 197.303 2.613 10 0 AFAERN C[C@@H]1CC[C@@H]([C@@H](O)c2ccsn2)C1 307509061 346081912 /nfs/dbraw/zinc/08/19/12/346081912.db2.gz CAESDOZOIJRCDG-NQMVMOMDSA-N 0 0 197.303 2.613 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)c2ccsn2)C1 307509057 346081965 /nfs/dbraw/zinc/08/19/65/346081965.db2.gz CAESDOZOIJRCDG-MRTMQBJTSA-N 0 0 197.303 2.613 10 0 AFAERN CC1(C(=O)c2ccsn2)CCCC1 307509017 346081973 /nfs/dbraw/zinc/08/19/73/346081973.db2.gz SDBOMXKJVBMMDM-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN O=Cc1ccc(C2=CCCC2)o1 307509529 346082045 /nfs/dbraw/zinc/08/20/45/346082045.db2.gz CFXFIGWYIUTPFC-UHFFFAOYSA-N 0 0 162.188 2.659 10 0 AFAERN C[C@@H]1CC[C@H]([C@@H](O)c2ccsn2)C1 307509053 346082054 /nfs/dbraw/zinc/08/20/54/346082054.db2.gz CAESDOZOIJRCDG-KHQFGBGNSA-N 0 0 197.303 2.613 10 0 AFAERN S=c1[nH]ccn1[C@H]1CC12CCCC2 307510438 346082289 /nfs/dbraw/zinc/08/22/89/346082289.db2.gz BSKSNMGUWXEFDT-QMMMGPOBSA-N 0 0 194.303 2.677 10 0 AFAERN Cc1c[nH]c([C@@H](O)C(C)(C)C)c1C 307510521 346082299 /nfs/dbraw/zinc/08/22/99/346082299.db2.gz VZJNOHHYHZUETP-SNVBAGLBSA-N 0 0 181.279 2.711 10 0 AFAERN Cc1c(F)cccc1C(=O)C(F)F 307510873 346082390 /nfs/dbraw/zinc/08/23/90/346082390.db2.gz LASFARRRZWDYTP-UHFFFAOYSA-N 0 0 188.148 2.582 10 0 AFAERN Cc1c[nH]c([C@H](O)C(C)(C)C)c1C 307510520 346082427 /nfs/dbraw/zinc/08/24/27/346082427.db2.gz VZJNOHHYHZUETP-JTQLQIEISA-N 0 0 181.279 2.711 10 0 AFAERN S=c1[nH]ccn1[C@@H]1CC12CCCC2 307510437 346082491 /nfs/dbraw/zinc/08/24/91/346082491.db2.gz BSKSNMGUWXEFDT-MRVPVSSYSA-N 0 0 194.303 2.677 10 0 AFAERN O=c1[nH]cncc1C1=CCCCCC1 307512431 346083605 /nfs/dbraw/zinc/08/36/05/346083605.db2.gz PNYINFGFQJUWJZ-UHFFFAOYSA-N 0 0 190.246 2.530 10 0 AFAERN CC(C)(F)C(=O)c1cccc(F)c1 307517977 346087202 /nfs/dbraw/zinc/08/72/02/346087202.db2.gz KJVXLFCPLLQMFO-UHFFFAOYSA-N 0 0 184.185 2.757 10 0 AFAERN CCC[C@H](C)[C@@]1(O)CCC1(C)C 307517795 346087214 /nfs/dbraw/zinc/08/72/14/346087214.db2.gz JQCQWLWQALDQJD-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H](C)[C@@]1(O)CCC1(C)C 307517793 346087320 /nfs/dbraw/zinc/08/73/20/346087320.db2.gz JQCQWLWQALDQJD-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1C[C@@]1(O)[C@@H]1CC2CCC1CC2 307518323 346087691 /nfs/dbraw/zinc/08/76/91/346087691.db2.gz KZFRMIGNZZELMC-ABLIHOLZSA-N 0 0 194.318 2.974 10 0 AFAERN CC[C@@H]1C[C@@]1(O)[C@H]1CC2CCC1CC2 307518325 346087730 /nfs/dbraw/zinc/08/77/30/346087730.db2.gz KZFRMIGNZZELMC-JCXRDGCHSA-N 0 0 194.318 2.974 10 0 AFAERN CC[C@@H]1C[C@]1(O)[C@@H]1CC2CCC1CC2 307518327 346087864 /nfs/dbraw/zinc/08/78/64/346087864.db2.gz KZFRMIGNZZELMC-RKJHCZSYSA-N 0 0 194.318 2.974 10 0 AFAERN Cc1cccc(N[C@@H]2C[C@@H]2C2CC2)n1 307519958 346088163 /nfs/dbraw/zinc/08/81/63/346088163.db2.gz WYDWIXKOUGWVSS-GHMZBOCLSA-N 0 0 188.274 2.600 10 0 AFAERN Cc1cccc(N[C@H]2C[C@@H]2C2CC2)n1 307519960 346088248 /nfs/dbraw/zinc/08/82/48/346088248.db2.gz WYDWIXKOUGWVSS-MNOVXSKESA-N 0 0 188.274 2.600 10 0 AFAERN Cc1cccc(N[C@@H]2C[C@H]2C2CC2)n1 307519965 346088254 /nfs/dbraw/zinc/08/82/54/346088254.db2.gz WYDWIXKOUGWVSS-WDEREUQCSA-N 0 0 188.274 2.600 10 0 AFAERN COc1c(F)cc(F)c(Cl)c1F 307519793 346088383 /nfs/dbraw/zinc/08/83/83/346088383.db2.gz WTZCFTKXTVUPMC-UHFFFAOYSA-N 0 0 196.555 2.766 10 0 AFAERN Cc1cccc(N[C@H]2C[C@H]2C2CC2)n1 307519963 346088422 /nfs/dbraw/zinc/08/84/22/346088422.db2.gz WYDWIXKOUGWVSS-QWRGUYRKSA-N 0 0 188.274 2.600 10 0 AFAERN CNc1c(Cl)ccc(C)c1C 307520135 346088805 /nfs/dbraw/zinc/08/88/05/346088805.db2.gz PRHCJECMIURRBD-UHFFFAOYSA-N 0 0 169.655 2.999 10 0 AFAERN C[C@H]1CCNc2c1ccc(F)c2F 307520837 346089233 /nfs/dbraw/zinc/08/92/33/346089233.db2.gz ROUAVZPNEWNHAO-LURJTMIESA-N 0 0 183.201 2.884 10 0 AFAERN C[C@@H]1CCNc2c1ccc(F)c2F 307520840 346089248 /nfs/dbraw/zinc/08/92/48/346089248.db2.gz ROUAVZPNEWNHAO-ZCFIWIBFSA-N 0 0 183.201 2.884 10 0 AFAERN COc1c(F)c(F)cc(CF)c1F 307521186 346089761 /nfs/dbraw/zinc/08/97/61/346089761.db2.gz YYGCJOIFPRSKRX-UHFFFAOYSA-N 0 0 194.127 2.582 10 0 AFAERN CSC(C)(C)C(=O)C(C)(C)C 307523689 346090816 /nfs/dbraw/zinc/09/08/16/346090816.db2.gz QKLWLGYKDLQLKW-UHFFFAOYSA-N 0 0 174.309 2.743 10 0 AFAERN CSC1([C@@H](O)c2ccco2)CCC1 307525980 346092079 /nfs/dbraw/zinc/09/20/79/346092079.db2.gz DWQPOKWPJPAUDY-VIFPVBQESA-N 0 0 198.287 2.599 10 0 AFAERN CSC1([C@H](O)c2ccco2)CCC1 307525979 346092198 /nfs/dbraw/zinc/09/21/98/346092198.db2.gz DWQPOKWPJPAUDY-SECBINFHSA-N 0 0 198.287 2.599 10 0 AFAERN CCCC(=O)[C@@H]1C[C@@H](C)[C@@H]1C 307528082 346093085 /nfs/dbraw/zinc/09/30/85/346093085.db2.gz SPHLJKMFXFNVEN-HRDYMLBCSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC(=O)[C@@H]1C[C@H](C)[C@@H]1C 307528085 346093103 /nfs/dbraw/zinc/09/31/03/346093103.db2.gz SPHLJKMFXFNVEN-XHNCKOQMSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC(=O)[C@@H]1C[C@H](C)[C@H]1C 307528081 346093125 /nfs/dbraw/zinc/09/31/25/346093125.db2.gz SPHLJKMFXFNVEN-DJLDLDEBSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC(=O)[C@@H]1C[C@@H](C)[C@H]1C 307528084 346093388 /nfs/dbraw/zinc/09/33/88/346093388.db2.gz SPHLJKMFXFNVEN-IWSPIJDZSA-N 0 0 154.253 2.648 10 0 AFAERN CNc1ccc(C)c(Cl)c1F 307529230 346093854 /nfs/dbraw/zinc/09/38/54/346093854.db2.gz ULRCHODBIRXGRC-UHFFFAOYSA-N 0 0 173.618 2.829 10 0 AFAERN CC1(CNc2cccnc2)CCC1 307529647 346094176 /nfs/dbraw/zinc/09/41/76/346094176.db2.gz UUSQFJVIHRYIIQ-UHFFFAOYSA-N 0 0 176.263 2.684 10 0 AFAERN CCNc1nc2ccc(Cl)cc2o1 307531238 346094768 /nfs/dbraw/zinc/09/47/68/346094768.db2.gz WXDWLGRWCMJYSC-UHFFFAOYSA-N 0 0 196.637 2.913 10 0 AFAERN Cc1cc(F)c(N)c(C(F)(F)F)c1 307531913 346095362 /nfs/dbraw/zinc/09/53/62/346095362.db2.gz WUOOKCQDEJEIOH-UHFFFAOYSA-N 0 0 193.143 2.735 10 0 AFAERN S=c1ccc(Cl)c(Cl)[nH]1 307533269 346095816 /nfs/dbraw/zinc/09/58/16/346095816.db2.gz IADYHWNUIXXYKN-UHFFFAOYSA-N 0 0 180.059 2.677 10 0 AFAERN CC(C)c1csc(-c2cc[nH]n2)n1 307533324 346095911 /nfs/dbraw/zinc/09/59/11/346095911.db2.gz AXEYGIYPIAHRGA-UHFFFAOYSA-N 0 0 193.275 2.657 10 0 AFAERN COc1c(F)cc(CF)c(F)c1F 307533769 346096353 /nfs/dbraw/zinc/09/63/53/346096353.db2.gz NOWWPYNEZOCING-UHFFFAOYSA-N 0 0 194.127 2.582 10 0 AFAERN O=C1CC[C@H](CC2=CCCC2)C1 307534184 346096935 /nfs/dbraw/zinc/09/69/35/346096935.db2.gz IWFFBLFFRQOFHP-SNVBAGLBSA-N 0 0 164.248 2.856 10 0 AFAERN O=C1CC[C@@H](CC2=CCCC2)C1 307534176 346097114 /nfs/dbraw/zinc/09/71/14/346097114.db2.gz IWFFBLFFRQOFHP-JTQLQIEISA-N 0 0 164.248 2.856 10 0 AFAERN CC1(C)CC(Nc2cccnc2)C1 307536567 346098208 /nfs/dbraw/zinc/09/82/08/346098208.db2.gz IWEWUUHBJQQVJK-UHFFFAOYSA-N 0 0 176.263 2.682 10 0 AFAERN Cc1scc(C(=O)C2CC2)c1C 307536912 346098653 /nfs/dbraw/zinc/09/86/53/346098653.db2.gz LNAPUMWCJJRNQW-UHFFFAOYSA-N 0 0 180.272 2.958 10 0 AFAERN C[C@H]1[C@H](C)CCC[C@@]1(O)c1ccc[nH]1 307538591 346099521 /nfs/dbraw/zinc/09/95/21/346099521.db2.gz SBQVZFPYXHQMFW-SCVCMEIPSA-N 0 0 193.290 2.658 10 0 AFAERN C[C@H]1[C@H](C)CCC[C@]1(O)c1ccc[nH]1 307538589 346099662 /nfs/dbraw/zinc/09/96/62/346099662.db2.gz SBQVZFPYXHQMFW-JFGNBEQYSA-N 0 0 193.290 2.658 10 0 AFAERN CCOc1cc(C)c(C)cc1OC 307538988 346099754 /nfs/dbraw/zinc/09/97/54/346099754.db2.gz STLURXTZVZXOMM-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN C[C@@H]1CCC[C@](O)(c2ccc[nH]2)[C@@H]1C 307538437 346099884 /nfs/dbraw/zinc/09/98/84/346099884.db2.gz SBQVZFPYXHQMFW-CKYFFXLPSA-N 0 0 193.290 2.658 10 0 AFAERN C[C@@H]1CCC[C@@](O)(c2ccc[nH]2)[C@@H]1C 307538588 346099908 /nfs/dbraw/zinc/09/99/08/346099908.db2.gz SBQVZFPYXHQMFW-FOGDFJRCSA-N 0 0 193.290 2.658 10 0 AFAERN O=Cc1cccc(-c2ccco2)c1F 307539303 346100104 /nfs/dbraw/zinc/10/01/04/346100104.db2.gz UFTPWWDNCAMBAY-UHFFFAOYSA-N 0 0 190.173 2.898 10 0 AFAERN CCOc1cc(OC)c(C)cc1C 307539334 346100127 /nfs/dbraw/zinc/10/01/27/346100127.db2.gz UKZCGFCZPOYXAH-UHFFFAOYSA-N 0 0 180.247 2.711 10 0 AFAERN S=c1ccc(C2=CCCC2)n[nH]1 307540033 346100309 /nfs/dbraw/zinc/10/03/09/346100309.db2.gz MCKFNMCDUGALSC-UHFFFAOYSA-N 0 0 178.260 2.706 10 0 AFAERN CCOc1cc(C)c(C)cc1F 307539655 346100534 /nfs/dbraw/zinc/10/05/34/346100534.db2.gz UXMKKPVCSWSLQR-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN O=C(C1CC1)[C@H]1CC2CCC1CC2 307540333 346100655 /nfs/dbraw/zinc/10/06/55/346100655.db2.gz RDTJXVWPRWXWLD-AMUVOQDHSA-N 0 0 178.275 2.792 10 0 AFAERN O=C(C1CC1)[C@@H]1CC2CCC1CC2 307540334 346100658 /nfs/dbraw/zinc/10/06/58/346100658.db2.gz RDTJXVWPRWXWLD-NWGYLPEXSA-N 0 0 178.275 2.792 10 0 AFAERN Cc1c[nH]c([C@H](O)C2CCCC2)c1C 307541077 346101217 /nfs/dbraw/zinc/10/12/17/346101217.db2.gz RVDGYEAVMGPSKS-GFCCVEGCSA-N 0 0 193.290 2.855 10 0 AFAERN CC[C@@H](C)c1n[nH]cc1Cl 307541528 346101285 /nfs/dbraw/zinc/10/12/85/346101285.db2.gz ODNPXDPPZCQRKA-RXMQYKEDSA-N 0 0 158.632 2.577 10 0 AFAERN CC[C@H](C)c1n[nH]cc1Cl 307541529 346101544 /nfs/dbraw/zinc/10/15/44/346101544.db2.gz ODNPXDPPZCQRKA-YFKPBYRVSA-N 0 0 158.632 2.577 10 0 AFAERN Cc1c[nH]c([C@@H](O)C2CCCC2)c1C 307541078 346101624 /nfs/dbraw/zinc/10/16/24/346101624.db2.gz RVDGYEAVMGPSKS-LBPRGKRZSA-N 0 0 193.290 2.855 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@@H]2C)cnc1C 307541753 346102016 /nfs/dbraw/zinc/10/20/16/346102016.db2.gz YFTCKAUDLPNBLJ-GZMMTYOYSA-N 0 0 189.258 2.537 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@H]2C)cnc1C 307541756 346102039 /nfs/dbraw/zinc/10/20/39/346102039.db2.gz YFTCKAUDLPNBLJ-LDYMZIIASA-N 0 0 189.258 2.537 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@@H]2C)cnc1C 307541755 346102057 /nfs/dbraw/zinc/10/20/57/346102057.db2.gz YFTCKAUDLPNBLJ-KWQFWETISA-N 0 0 189.258 2.537 10 0 AFAERN S=c1cc(C2=CCCC2)nc[nH]1 307542759 346102592 /nfs/dbraw/zinc/10/25/92/346102592.db2.gz QPUJBBFKGOVMHN-UHFFFAOYSA-N 0 0 178.260 2.706 10 0 AFAERN Cc1cnc(Cl)nc1[C@@H]1C[C@@H]1C 307545647 346103948 /nfs/dbraw/zinc/10/39/48/346103948.db2.gz KFCIDQYZFCSGSS-CAHLUQPWSA-N 0 0 182.654 2.562 10 0 AFAERN Cc1cnc(Cl)nc1[C@@H]1C[C@H]1C 307545649 346103997 /nfs/dbraw/zinc/10/39/97/346103997.db2.gz KFCIDQYZFCSGSS-IYSWYEEDSA-N 0 0 182.654 2.562 10 0 AFAERN Cc1cnc(Cl)nc1[C@H]1C[C@@H]1C 307545648 346104019 /nfs/dbraw/zinc/10/40/19/346104019.db2.gz KFCIDQYZFCSGSS-FSPLSTOPSA-N 0 0 182.654 2.562 10 0 AFAERN Clc1nccnc1CC1CCCC1 307545738 346104040 /nfs/dbraw/zinc/10/40/40/346104040.db2.gz KHLYDGKEHLCXLU-UHFFFAOYSA-N 0 0 196.681 2.863 10 0 AFAERN Cc1cnc(Cl)nc1[C@H]1C[C@H]1C 307545650 346104142 /nfs/dbraw/zinc/10/41/42/346104142.db2.gz KFCIDQYZFCSGSS-VDTYLAMSSA-N 0 0 182.654 2.562 10 0 AFAERN Cc1ccc([C@](C)(O)[C@@H]2C[C@@H]2C)cc1 307547807 346105611 /nfs/dbraw/zinc/10/56/11/346105611.db2.gz NPNOTSGHDIFXBK-UHTWSYAYSA-N 0 0 190.286 2.859 10 0 AFAERN Cc1ccc([C@](C)(O)[C@H]2C[C@H]2C)cc1 307547808 346105641 /nfs/dbraw/zinc/10/56/41/346105641.db2.gz NPNOTSGHDIFXBK-WXHSDQCUSA-N 0 0 190.286 2.859 10 0 AFAERN Cc1ccc([C@](C)(O)[C@@H]2C[C@H]2C)cc1 307547806 346105677 /nfs/dbraw/zinc/10/56/77/346105677.db2.gz NPNOTSGHDIFXBK-RTXFEEFZSA-N 0 0 190.286 2.859 10 0 AFAERN O=C(c1ccns1)C1CCCC1 307548587 346105749 /nfs/dbraw/zinc/10/57/49/346105749.db2.gz VDHHLPXIHKAJRQ-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN Cc1ccc([C@](C)(O)[C@H]2C[C@@H]2C)cc1 307547805 346105809 /nfs/dbraw/zinc/10/58/09/346105809.db2.gz NPNOTSGHDIFXBK-DRZSPHRISA-N 0 0 190.286 2.859 10 0 AFAERN COc1c(F)ccc(Cl)c1C 307549892 346106945 /nfs/dbraw/zinc/10/69/45/346106945.db2.gz QKXQKVYCZKKCAI-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN C[C@H]1CCNc2cc(F)c(F)cc21 307550699 346107381 /nfs/dbraw/zinc/10/73/81/346107381.db2.gz OSPKIDLSOUCOKK-LURJTMIESA-N 0 0 183.201 2.884 10 0 AFAERN C[C@@H]1CCNc2cc(F)c(F)cc21 307550701 346107394 /nfs/dbraw/zinc/10/73/94/346107394.db2.gz OSPKIDLSOUCOKK-ZCFIWIBFSA-N 0 0 183.201 2.884 10 0 AFAERN C[C@@H]1CC[C@]1(O)c1ccc(F)c(F)c1 307551735 346107795 /nfs/dbraw/zinc/10/77/95/346107795.db2.gz PUHGNRGNUJLGQP-RDDDGLTNSA-N 0 0 198.212 2.582 10 0 AFAERN C[C@H]1CC[C@]1(O)c1ccc(F)c(F)c1 307551738 346107813 /nfs/dbraw/zinc/10/78/13/346107813.db2.gz PUHGNRGNUJLGQP-WRWORJQWSA-N 0 0 198.212 2.582 10 0 AFAERN C[C@@H]1CC[C@@]1(O)c1ccc(F)c(F)c1 307551733 346107849 /nfs/dbraw/zinc/10/78/49/346107849.db2.gz PUHGNRGNUJLGQP-HQJQHLMTSA-N 0 0 198.212 2.582 10 0 AFAERN C[C@H]1CC[C@@]1(O)c1ccc(F)c(F)c1 307551731 346107924 /nfs/dbraw/zinc/10/79/24/346107924.db2.gz PUHGNRGNUJLGQP-CPCISQLKSA-N 0 0 198.212 2.582 10 0 AFAERN Nc1ccc(F)c(-c2ccns2)c1 307551303 346108041 /nfs/dbraw/zinc/10/80/41/346108041.db2.gz YVCOBSYMLZGRRE-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN C/C=C/CNc1c(C)cccc1N 307553622 346108790 /nfs/dbraw/zinc/10/87/90/346108790.db2.gz LHHIQSZHOJUBTI-ONEGZZNKSA-N 0 0 176.263 2.565 10 0 AFAERN Cc1cocc1-c1cccc(O)c1 307553176 346109107 /nfs/dbraw/zinc/10/91/07/346109107.db2.gz LFDPMTNCSGKORI-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN CSc1ccc(F)c(C)c1F 307554221 346109318 /nfs/dbraw/zinc/10/93/18/346109318.db2.gz GNHWTADSAIAJQP-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN CCCNc1cncc(Cl)c1 307555446 346110073 /nfs/dbraw/zinc/11/00/73/346110073.db2.gz ILWRAAOBNOBQCW-UHFFFAOYSA-N 0 0 170.643 2.557 10 0 AFAERN Cc1cc(C(=O)C(C)(F)F)cs1 307557485 346111804 /nfs/dbraw/zinc/11/18/04/346111804.db2.gz KWJAFKHLRPDXTA-UHFFFAOYSA-N 0 0 190.214 2.894 10 0 AFAERN Cc1cc(C(=O)CC2CCC2)sn1 307562656 346113738 /nfs/dbraw/zinc/11/37/38/346113738.db2.gz VWDDNVUJQWSAIM-UHFFFAOYSA-N 0 0 195.287 2.824 10 0 AFAERN Cc1ccc(C(=O)C(C)(C)F)cc1 307562323 346113778 /nfs/dbraw/zinc/11/37/78/346113778.db2.gz ZQGNIVMSSLGOIL-UHFFFAOYSA-N 0 0 180.222 2.926 10 0 AFAERN O=Cc1cc(C(F)F)c(F)cc1F 307562217 346114021 /nfs/dbraw/zinc/11/40/21/346114021.db2.gz VBEDAOBQQULCEF-UHFFFAOYSA-N 0 0 192.111 2.715 10 0 AFAERN Cc1cnc(N[C@@H]2CC[C@H]3C[C@H]32)s1 307564337 346115034 /nfs/dbraw/zinc/11/50/34/346115034.db2.gz QCPSWNZWDSQZCC-DJLDLDEBSA-N 0 0 194.303 2.662 10 0 AFAERN Cc1cnc(N[C@@H]2CC[C@@H]3C[C@@H]32)s1 307564338 346115070 /nfs/dbraw/zinc/11/50/70/346115070.db2.gz QCPSWNZWDSQZCC-HRDYMLBCSA-N 0 0 194.303 2.662 10 0 AFAERN Cc1cocc1C(=O)[C@H]1CC1(C)C 307563958 346115093 /nfs/dbraw/zinc/11/50/93/346115093.db2.gz PRMNUBSRNVEWRP-SECBINFHSA-N 0 0 178.231 2.817 10 0 AFAERN Cc1cocc1C(=O)[C@@H]1CC1(C)C 307563959 346115190 /nfs/dbraw/zinc/11/51/90/346115190.db2.gz PRMNUBSRNVEWRP-VIFPVBQESA-N 0 0 178.231 2.817 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)[C@H]1c1ccsc1 307566002 346115921 /nfs/dbraw/zinc/11/59/21/346115921.db2.gz RXPIVNLQECRUKT-SRSLHRDFSA-N 0 0 180.272 2.687 10 0 AFAERN Cc1ccncc1N[C@@H]1CC[C@H]2C[C@H]21 307565736 346115942 /nfs/dbraw/zinc/11/59/42/346115942.db2.gz RSXMCFKVNHEDAA-HBNTYKKESA-N 0 0 188.274 2.600 10 0 AFAERN C[C@@H]1C(=O)[C@@H](C)C1c1ccsc1 307566000 346116125 /nfs/dbraw/zinc/11/61/25/346116125.db2.gz RXPIVNLQECRUKT-BQBZGAKWSA-N 0 0 180.272 2.687 10 0 AFAERN C[C@H]1C(=O)[C@H](C)C1c1ccsc1 307566001 346116367 /nfs/dbraw/zinc/11/63/67/346116367.db2.gz RXPIVNLQECRUKT-RNFRBKRXSA-N 0 0 180.272 2.687 10 0 AFAERN CC(C)c1nc([C@@H](C)C2CC2)no1 307566294 346116835 /nfs/dbraw/zinc/11/68/35/346116835.db2.gz CTVHIBUPAPYFQI-ZETCQYMHSA-N 0 0 180.251 2.707 10 0 AFAERN Cc1cc(C[C@H]2CCC(=O)C2)cs1 307567300 346117320 /nfs/dbraw/zinc/11/73/20/346117320.db2.gz UDZNFFBSIOXABN-SECBINFHSA-N 0 0 194.299 2.968 10 0 AFAERN O=C1CSC(CC2CCCC2)=N1 307567358 346117548 /nfs/dbraw/zinc/11/75/48/346117548.db2.gz QFJGBUCELGWDPI-UHFFFAOYSA-N 0 0 183.276 2.581 10 0 AFAERN Cc1csc2c(Cl)c(N)cnc12 307567251 346117575 /nfs/dbraw/zinc/11/75/75/346117575.db2.gz TYUBTENSYUJHOU-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN Cc1cc(C[C@@H]2CCC(=O)C2)cs1 307567301 346117652 /nfs/dbraw/zinc/11/76/52/346117652.db2.gz UDZNFFBSIOXABN-VIFPVBQESA-N 0 0 194.299 2.968 10 0 AFAERN S=c1cnc(-c2ccsc2)c[nH]1 307568411 346117897 /nfs/dbraw/zinc/11/78/97/346117897.db2.gz SXEKGNDQXJWPOI-UHFFFAOYSA-N 0 0 194.284 2.868 10 0 AFAERN Cc1ccc2oc(NCCF)nc2c1 307567987 346118153 /nfs/dbraw/zinc/11/81/53/346118153.db2.gz RXPKNLTWARNBKN-UHFFFAOYSA-N 0 0 194.209 2.518 10 0 AFAERN Cc1cccnc1N1CCCCCC1 307569375 346118700 /nfs/dbraw/zinc/11/87/00/346118700.db2.gz VTUOAGNNJTUYOQ-UHFFFAOYSA-N 0 0 190.290 2.770 10 0 AFAERN C1CC(CSCC2CC2)C1 307570633 346119623 /nfs/dbraw/zinc/11/96/23/346119623.db2.gz BBANIHUSMYUDSI-UHFFFAOYSA-N 0 0 156.294 2.930 10 0 AFAERN C[C@@](O)(C1CC1)[C@@H]1CC2CCC1CC2 307570969 346120234 /nfs/dbraw/zinc/12/02/34/346120234.db2.gz CLEPTVOPTYBFKV-IOCWDNCASA-N 0 0 194.318 2.974 10 0 AFAERN C[C@](O)(C1CC1)[C@H]1CC2CCC1CC2 307570968 346120251 /nfs/dbraw/zinc/12/02/51/346120251.db2.gz CLEPTVOPTYBFKV-HFCHRNICSA-N 0 0 194.318 2.974 10 0 AFAERN C[C@@](O)(C1CC1)[C@H]1CC2CCC1CC2 307570971 346120316 /nfs/dbraw/zinc/12/03/16/346120316.db2.gz CLEPTVOPTYBFKV-XYJRBWASSA-N 0 0 194.318 2.974 10 0 AFAERN C[C@](O)(C1CC1)[C@@H]1CC2CCC1CC2 307570970 346120468 /nfs/dbraw/zinc/12/04/68/346120468.db2.gz CLEPTVOPTYBFKV-UHGWMABZSA-N 0 0 194.318 2.974 10 0 AFAERN Cc1nc(Cl)ncc1CC(C)C 307571589 346121014 /nfs/dbraw/zinc/12/10/14/346121014.db2.gz BRUUKOBUDPXBSD-UHFFFAOYSA-N 0 0 184.670 2.637 10 0 AFAERN CSC1([C@H](O)c2cocc2C)CC1 307574865 346122632 /nfs/dbraw/zinc/12/26/32/346122632.db2.gz ILRXZEUIZNKHLD-SECBINFHSA-N 0 0 198.287 2.517 10 0 AFAERN CSC1([C@@H](O)c2cocc2C)CC1 307574866 346122739 /nfs/dbraw/zinc/12/27/39/346122739.db2.gz ILRXZEUIZNKHLD-VIFPVBQESA-N 0 0 198.287 2.517 10 0 AFAERN C[C@]1(CNc2ccccc2)C[C@H]1F 307577260 346124611 /nfs/dbraw/zinc/12/46/11/346124611.db2.gz OVKBBUQQLQCQGK-GHMZBOCLSA-N 0 0 179.238 2.847 10 0 AFAERN C[C@@]1(CNc2ccccc2)C[C@H]1F 307577261 346124641 /nfs/dbraw/zinc/12/46/41/346124641.db2.gz OVKBBUQQLQCQGK-MNOVXSKESA-N 0 0 179.238 2.847 10 0 AFAERN C[C@@]1(CNc2ccccc2)C[C@@H]1F 307577262 346124691 /nfs/dbraw/zinc/12/46/91/346124691.db2.gz OVKBBUQQLQCQGK-QWRGUYRKSA-N 0 0 179.238 2.847 10 0 AFAERN C[C@]1(CNc2ccccc2)C[C@@H]1F 307577263 346124693 /nfs/dbraw/zinc/12/46/93/346124693.db2.gz OVKBBUQQLQCQGK-WDEREUQCSA-N 0 0 179.238 2.847 10 0 AFAERN CNc1ncc([C@H](C)C(C)C)s1 307577648 346124729 /nfs/dbraw/zinc/12/47/29/346124729.db2.gz MFJWFVPOWJMAEE-SSDOTTSWSA-N 0 0 184.308 2.944 10 0 AFAERN CNc1ncc([C@@H](C)C(C)C)s1 307577650 346124740 /nfs/dbraw/zinc/12/47/40/346124740.db2.gz MFJWFVPOWJMAEE-ZETCQYMHSA-N 0 0 184.308 2.944 10 0 AFAERN Cc1cc(N)ccc1-c1ccsn1 307578233 346125294 /nfs/dbraw/zinc/12/52/94/346125294.db2.gz NFJJJWZFERETKT-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(F)(F)c1nc2ccc(N)cc2o1 307578950 346125753 /nfs/dbraw/zinc/12/57/53/346125753.db2.gz OPUWYVMTYRDXNZ-UHFFFAOYSA-N 0 0 198.172 2.522 10 0 AFAERN C(=C/c1cn[nH]c1)\c1ccccc1 307579541 346125891 /nfs/dbraw/zinc/12/58/91/346125891.db2.gz PSTONWZUIFTPOF-VOTSOKGWSA-N 0 0 170.215 2.580 10 0 AFAERN c1sc(NC2CC2)nc1C1CCC1 307583413 346128110 /nfs/dbraw/zinc/12/81/10/346128110.db2.gz YKWXPYZBBJLHEC-UHFFFAOYSA-N 0 0 194.303 2.985 10 0 AFAERN CC[C@@H](C)c1cc(N)cs1 307584198 346128765 /nfs/dbraw/zinc/12/87/65/346128765.db2.gz HKSUOPMEUNBBNP-ZCFIWIBFSA-N 0 0 155.266 2.844 10 0 AFAERN CC[C@H](C)c1cc(N)cs1 307584197 346128865 /nfs/dbraw/zinc/12/88/65/346128865.db2.gz HKSUOPMEUNBBNP-LURJTMIESA-N 0 0 155.266 2.844 10 0 AFAERN Cc1cc(-c2nc(N)cs2)cs1 307583935 346128928 /nfs/dbraw/zinc/12/89/28/346128928.db2.gz GKGVONRODHJLBQ-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN C/C=C/CNc1ccc(Cl)cc1N 307585409 346129914 /nfs/dbraw/zinc/12/99/14/346129914.db2.gz LNTMBJYSCWZECU-NSCUHMNNSA-N 0 0 196.681 2.910 10 0 AFAERN Cc1nc(CO)sc1CC(C)(C)C 307586007 346129933 /nfs/dbraw/zinc/12/99/33/346129933.db2.gz OFKXIHYQVSVYTQ-UHFFFAOYSA-N 0 0 199.319 2.532 10 0 AFAERN Cc1ccc(O)cc1-c1ccco1 307587485 346130797 /nfs/dbraw/zinc/13/07/97/346130797.db2.gz UFQLWVPYDZWGFX-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN Cc1noc(C)c1NC1CCCC1 307589993 346132748 /nfs/dbraw/zinc/13/27/48/346132748.db2.gz BIUDPWNLIXKYGG-UHFFFAOYSA-N 0 0 180.251 2.646 10 0 AFAERN CC(C)ON[C@@H]1CCCC(C)(C)C1 307591144 346133114 /nfs/dbraw/zinc/13/31/14/346133114.db2.gz DAJIGDBDPVOITA-SNVBAGLBSA-N 0 0 185.311 2.885 10 0 AFAERN CC(C)ON[C@H]1CCCC(C)(C)C1 307591143 346133227 /nfs/dbraw/zinc/13/32/27/346133227.db2.gz DAJIGDBDPVOITA-JTQLQIEISA-N 0 0 185.311 2.885 10 0 AFAERN CC(C)Nc1cc2c(c[nH+]1)CCCC2 307591444 346133858 /nfs/dbraw/zinc/13/38/58/346133858.db2.gz DJDTXEAZYJUOTK-UHFFFAOYSA-N 0 0 190.290 2.781 10 0 AFAERN CCCC(=O)c1cocc1C 307592330 346134282 /nfs/dbraw/zinc/13/42/82/346134282.db2.gz DDPYGOOMTKIZKD-UHFFFAOYSA-N 0 0 152.193 2.571 10 0 AFAERN Cc1cnc(NCc2ccsc2)o1 307592233 346134513 /nfs/dbraw/zinc/13/45/13/346134513.db2.gz CYCMBVRLWOTMCM-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN Cc1sc(C2(C)CCCC2)nc1N 307595738 346136182 /nfs/dbraw/zinc/13/61/82/346136182.db2.gz KSURSBRNZUCTMW-UHFFFAOYSA-N 0 0 196.319 2.865 10 0 AFAERN COC(=O)/C=C1/CCCC12CCCC2 307596320 346136308 /nfs/dbraw/zinc/13/63/08/346136308.db2.gz LUMRNQDGTWOGJA-KTKRTIGZSA-N 0 0 194.274 2.830 10 0 AFAERN CCc1[nH]c(=S)[nH]c1C(C)(C)C 307597563 346137346 /nfs/dbraw/zinc/13/73/46/346137346.db2.gz NSSWTPTUCMJLKY-UHFFFAOYSA-N 0 0 184.308 2.932 10 0 AFAERN CC[C@H](O)c1cc(F)cc(F)c1F 307597645 346137410 /nfs/dbraw/zinc/13/74/10/346137410.db2.gz OAXPRKUZEUXBHT-QMMMGPOBSA-N 0 0 190.164 2.547 10 0 AFAERN CC[C@@H](O)c1cc(F)cc(F)c1F 307597644 346137569 /nfs/dbraw/zinc/13/75/69/346137569.db2.gz OAXPRKUZEUXBHT-MRVPVSSYSA-N 0 0 190.164 2.547 10 0 AFAERN C[C@@H]1CCc2cnc(Cl)nc2[C@@H]1C 307598571 346137923 /nfs/dbraw/zinc/13/79/23/346137923.db2.gz PCEDFKYKCUIAHN-RNFRBKRXSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@@H]1c2nc(Cl)ncc2CC[C@H]1C 307598572 346137980 /nfs/dbraw/zinc/13/79/80/346137980.db2.gz PCEDFKYKCUIAHN-RQJHMYQMSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@H]1CCc2cnc(Cl)nc2[C@H]1C 307598569 346138002 /nfs/dbraw/zinc/13/80/02/346138002.db2.gz PCEDFKYKCUIAHN-BQBZGAKWSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@H]1CCc2cnc(Cl)nc2[C@@H]1C 307598570 346138071 /nfs/dbraw/zinc/13/80/71/346138071.db2.gz PCEDFKYKCUIAHN-NKWVEPMBSA-N 0 0 196.681 2.816 10 0 AFAERN CCNc1cc(C)c(C(C)(C)C)nn1 307600721 346139402 /nfs/dbraw/zinc/13/94/02/346139402.db2.gz SWTPQWGRAJSYQZ-UHFFFAOYSA-N 0 0 193.294 2.514 10 0 AFAERN c1ccc2[nH]c(SC3CC3)nc2c1 307601534 346140270 /nfs/dbraw/zinc/14/02/70/346140270.db2.gz SFMAGVOIXDKDMI-UHFFFAOYSA-N 0 0 190.271 2.817 10 0 AFAERN CCc1nc(=S)c2sccc2[nH]1 307602676 346140650 /nfs/dbraw/zinc/14/06/50/346140650.db2.gz XEJQRTYIOCLUGR-UHFFFAOYSA-N 0 0 196.300 2.916 10 0 AFAERN C[C@H]1CCN(c2cccc(N)c2)[C@H]1C 307602946 346140692 /nfs/dbraw/zinc/14/06/92/346140692.db2.gz YBXCOVLADONJBU-UWVGGRQHSA-N 0 0 190.290 2.504 10 0 AFAERN C[C@@H]1CCN(c2cccc(N)c2)[C@@H]1C 307602945 346140796 /nfs/dbraw/zinc/14/07/96/346140796.db2.gz YBXCOVLADONJBU-NXEZZACHSA-N 0 0 190.290 2.504 10 0 AFAERN C[C@H]1[C@H](C)CCN1c1cccc(N)c1 307602948 346141207 /nfs/dbraw/zinc/14/12/07/346141207.db2.gz YBXCOVLADONJBU-ZJUUUORDSA-N 0 0 190.290 2.504 10 0 AFAERN C[C@H]1CCN(c2cccc(N)c2)[C@@H]1C 307602947 346141302 /nfs/dbraw/zinc/14/13/02/346141302.db2.gz YBXCOVLADONJBU-VHSXEESVSA-N 0 0 190.290 2.504 10 0 AFAERN Cc1cc(N)ccc1-c1cscn1 307603783 346141384 /nfs/dbraw/zinc/14/13/84/346141384.db2.gz UNHGJCCDNPAPSD-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CSCc1ccc([C@H](C)O)cc1 307606684 346142661 /nfs/dbraw/zinc/14/26/61/346142661.db2.gz BCRDKSHLGQKKLT-QMMMGPOBSA-N 0 0 182.288 2.603 10 0 AFAERN CSCc1ccc([C@@H](C)O)cc1 307606682 346143052 /nfs/dbraw/zinc/14/30/52/346143052.db2.gz BCRDKSHLGQKKLT-MRVPVSSYSA-N 0 0 182.288 2.603 10 0 AFAERN CCC(C)(C)c1csc(C=O)n1 307607439 346143419 /nfs/dbraw/zinc/14/34/19/346143419.db2.gz FLUBFLLFXBLOTO-UHFFFAOYSA-N 0 0 183.276 2.643 10 0 AFAERN CSCCNc1cscc1C 307607086 346143616 /nfs/dbraw/zinc/14/36/16/346143616.db2.gz ATCYJKHROUNTKW-UHFFFAOYSA-N 0 0 187.333 2.831 10 0 AFAERN CCc1cc(F)c(F)c(F)c1OC 307607895 346143821 /nfs/dbraw/zinc/14/38/21/346143821.db2.gz CGSLUXZZZBYSKO-UHFFFAOYSA-N 0 0 190.164 2.675 10 0 AFAERN Cc1csc(N[C@H]2CC[C@H]2C)n1 307607846 346143877 /nfs/dbraw/zinc/14/38/77/346143877.db2.gz BXCKKBSGCNUYIM-SVRRBLITSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1csc(N[C@@H]2CC[C@@H]2C)n1 307607845 346143911 /nfs/dbraw/zinc/14/39/11/346143911.db2.gz BXCKKBSGCNUYIM-POYBYMJQSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1csc(N[C@H]2CC[C@@H]2C)n1 307607847 346143929 /nfs/dbraw/zinc/14/39/29/346143929.db2.gz BXCKKBSGCNUYIM-XPUUQOCRSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1c(Cl)ccc2c1N[C@@H](C)CN2 307608143 346144009 /nfs/dbraw/zinc/14/40/09/346144009.db2.gz CRAUKKWUJVUJBE-LURJTMIESA-N 0 0 196.681 2.874 10 0 AFAERN Cc1c(Cl)ccc2c1N[C@H](C)CN2 307608145 346144089 /nfs/dbraw/zinc/14/40/89/346144089.db2.gz CRAUKKWUJVUJBE-ZCFIWIBFSA-N 0 0 196.681 2.874 10 0 AFAERN Cc1occc1[C@@H]1NC(C)(C)CS1 307608139 346144103 /nfs/dbraw/zinc/14/41/03/346144103.db2.gz CQRQQFUMXDDKJX-SECBINFHSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1occc1[C@H]1NC(C)(C)CS1 307608140 346144133 /nfs/dbraw/zinc/14/41/33/346144133.db2.gz CQRQQFUMXDDKJX-VIFPVBQESA-N 0 0 197.303 2.702 10 0 AFAERN Cc1csc(N[C@@H]2CC[C@H]2C)n1 307607844 346144145 /nfs/dbraw/zinc/14/41/45/346144145.db2.gz BXCKKBSGCNUYIM-HTRCEHHLSA-N 0 0 182.292 2.662 10 0 AFAERN O=C(c1ccsc1Cl)C(F)F 307609158 346144426 /nfs/dbraw/zinc/14/44/26/346144426.db2.gz FADMIMYLYIPADX-UHFFFAOYSA-N 0 0 196.605 2.849 10 0 AFAERN CNc1n[nH]c(C2CC2)c1CC(C)C 307609790 346144963 /nfs/dbraw/zinc/14/49/63/346144963.db2.gz FFEMADAXSNFNRM-UHFFFAOYSA-N 0 0 193.294 2.527 10 0 AFAERN Cc1cc(CNc2ccsc2)on1 307611967 346146405 /nfs/dbraw/zinc/14/64/05/346146405.db2.gz JXBMNDVJOLJJEI-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN FC(F)[C@@H]1CNc2ccccc2C1 307612795 346147036 /nfs/dbraw/zinc/14/70/36/346147036.db2.gz LSUUKEISBODIFR-QMMMGPOBSA-N 0 0 183.201 2.536 10 0 AFAERN FC(F)[C@H]1CNc2ccccc2C1 307612794 346147197 /nfs/dbraw/zinc/14/71/97/346147197.db2.gz LSUUKEISBODIFR-MRVPVSSYSA-N 0 0 183.201 2.536 10 0 AFAERN CCC1CC(Nc2ccccn2)C1 307613999 346147394 /nfs/dbraw/zinc/14/73/94/346147394.db2.gz KRVKBVXASSSESA-UHFFFAOYSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@H](Nc1nccs1)C(C)(F)F 307618838 346151257 /nfs/dbraw/zinc/15/12/57/346151257.db2.gz UVGSGXDRPBHMGV-YFKPBYRVSA-N 0 0 192.234 2.599 10 0 AFAERN C[C@@H]1CCCC[C@H]1C(=O)C1CC1 307618895 346151317 /nfs/dbraw/zinc/15/13/17/346151317.db2.gz VEYIJMKQJYKUEB-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H](Nc1nccs1)C(C)(F)F 307618837 346151389 /nfs/dbraw/zinc/15/13/89/346151389.db2.gz UVGSGXDRPBHMGV-RXMQYKEDSA-N 0 0 192.234 2.599 10 0 AFAERN C[C@@H]1CCCC[C@@H]1C(=O)C1CC1 307618896 346151400 /nfs/dbraw/zinc/15/14/00/346151400.db2.gz VEYIJMKQJYKUEB-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CCCC[C@H]1C(=O)C1CC1 307618897 346151471 /nfs/dbraw/zinc/15/14/71/346151471.db2.gz VEYIJMKQJYKUEB-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CCCC[C@@H]1C(=O)C1CC1 307618898 346151488 /nfs/dbraw/zinc/15/14/88/346151488.db2.gz VEYIJMKQJYKUEB-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cscc1N[C@H](C)C(C)(C)O 307619750 346151694 /nfs/dbraw/zinc/15/16/94/346151694.db2.gz ZDBJJCKLKPSQPP-MRVPVSSYSA-N 0 0 199.319 2.628 10 0 AFAERN Cc1cscc1N[C@@H](C)C(C)(C)O 307619751 346151941 /nfs/dbraw/zinc/15/19/41/346151941.db2.gz ZDBJJCKLKPSQPP-QMMMGPOBSA-N 0 0 199.319 2.628 10 0 AFAERN CN(c1cccc(Cl)n1)C(C)(C)C 307620466 346152258 /nfs/dbraw/zinc/15/22/58/346152258.db2.gz AXNMJWCHSZXWLG-UHFFFAOYSA-N 0 0 198.697 2.970 10 0 AFAERN CC1(C)CC[C@H]1Nc1cccnc1 307623052 346153674 /nfs/dbraw/zinc/15/36/74/346153674.db2.gz DNVOAOAZQYYBDL-SNVBAGLBSA-N 0 0 176.263 2.682 10 0 AFAERN CC1(C)CC[C@@H]1Nc1cccnc1 307623051 346153679 /nfs/dbraw/zinc/15/36/79/346153679.db2.gz DNVOAOAZQYYBDL-JTQLQIEISA-N 0 0 176.263 2.682 10 0 AFAERN COc1c(C)cc(F)cc1Cl 307624988 346154588 /nfs/dbraw/zinc/15/45/88/346154588.db2.gz ORCKULXNJYREPB-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN CC[C@H]1CCC[C@H]1n1cc[nH]c1=S 307625498 346154688 /nfs/dbraw/zinc/15/46/88/346154688.db2.gz GNRVPQPMTFZVRB-DTWKUNHWSA-N 0 0 196.319 2.923 10 0 AFAERN CC[C@@H]1CCC[C@@H]1n1cc[nH]c1=S 307625497 346154748 /nfs/dbraw/zinc/15/47/48/346154748.db2.gz GNRVPQPMTFZVRB-BDAKNGLRSA-N 0 0 196.319 2.923 10 0 AFAERN CC[C@H]1CCC[C@@H]1n1cc[nH]c1=S 307625499 346154765 /nfs/dbraw/zinc/15/47/65/346154765.db2.gz GNRVPQPMTFZVRB-IUCAKERBSA-N 0 0 196.319 2.923 10 0 AFAERN Cc1cscc1NCCCF 307625501 346154815 /nfs/dbraw/zinc/15/48/15/346154815.db2.gz GNVNQKZNYWTJAA-UHFFFAOYSA-N 0 0 173.256 2.828 10 0 AFAERN CC(C)(F)c1n[nH]c(C2CCCC2)n1 307625044 346154881 /nfs/dbraw/zinc/15/48/81/346154881.db2.gz OZWQYIZVVWUYCI-UHFFFAOYSA-N 0 0 197.257 2.667 10 0 AFAERN CC[C@@H]1CCC[C@H]1n1cc[nH]c1=S 307625500 346154891 /nfs/dbraw/zinc/15/48/91/346154891.db2.gz GNRVPQPMTFZVRB-RKDXNWHRSA-N 0 0 196.319 2.923 10 0 AFAERN O[C@H](CC1CCCCC1)C1=COCC1 307627272 346155798 /nfs/dbraw/zinc/15/57/98/346155798.db2.gz VHJLBLNPXAZBFA-GFCCVEGCSA-N 0 0 196.290 2.622 10 0 AFAERN O[C@@H](CC1CCCCC1)C1=COCC1 307627273 346155871 /nfs/dbraw/zinc/15/58/71/346155871.db2.gz VHJLBLNPXAZBFA-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN CO[C@H]1CCC[C@H]1Nc1ccsc1 307627966 346156323 /nfs/dbraw/zinc/15/63/23/346156323.db2.gz JUWSUZZMZHQVOD-ZJUUUORDSA-N 0 0 197.303 2.728 10 0 AFAERN CO[C@@H]1CCC[C@@H]1Nc1ccsc1 307627965 346156347 /nfs/dbraw/zinc/15/63/47/346156347.db2.gz JUWSUZZMZHQVOD-VHSXEESVSA-N 0 0 197.303 2.728 10 0 AFAERN CO[C@@H]1CCC[C@H]1Nc1ccsc1 307627963 346156376 /nfs/dbraw/zinc/15/63/76/346156376.db2.gz JUWSUZZMZHQVOD-NXEZZACHSA-N 0 0 197.303 2.728 10 0 AFAERN CO[C@H]1CCC[C@@H]1Nc1ccsc1 307627964 346156405 /nfs/dbraw/zinc/15/64/05/346156405.db2.gz JUWSUZZMZHQVOD-UWVGGRQHSA-N 0 0 197.303 2.728 10 0 AFAERN Cc1cocc1-c1cnc[nH]c1=S 307629925 346157268 /nfs/dbraw/zinc/15/72/68/346157268.db2.gz NMZXDMMUBQYKSV-UHFFFAOYSA-N 0 0 192.243 2.708 10 0 AFAERN O[C@@H]1CCCC[C@H](c2ccsn2)C1 307629753 346157280 /nfs/dbraw/zinc/15/72/80/346157280.db2.gz VUFWEDIVPYHMPW-DTWKUNHWSA-N 0 0 197.303 2.552 10 0 AFAERN O[C@H]1CCCC[C@H](c2ccsn2)C1 307629754 346157301 /nfs/dbraw/zinc/15/73/01/346157301.db2.gz VUFWEDIVPYHMPW-IUCAKERBSA-N 0 0 197.303 2.552 10 0 AFAERN O[C@H]1CCCC[C@@H](c2ccsn2)C1 307629752 346157432 /nfs/dbraw/zinc/15/74/32/346157432.db2.gz VUFWEDIVPYHMPW-BDAKNGLRSA-N 0 0 197.303 2.552 10 0 AFAERN Cc1c(O)ccc(C(F)F)c1C 307629444 346157524 /nfs/dbraw/zinc/15/75/24/346157524.db2.gz VPVFSGLYZRTONB-UHFFFAOYSA-N 0 0 172.174 2.947 10 0 AFAERN O[C@@H]1CCCC[C@@H](c2ccsn2)C1 307629755 346157636 /nfs/dbraw/zinc/15/76/36/346157636.db2.gz VUFWEDIVPYHMPW-RKDXNWHRSA-N 0 0 197.303 2.552 10 0 AFAERN CCCSCc1cc(C)on1 307630532 346157883 /nfs/dbraw/zinc/15/78/83/346157883.db2.gz WSKAURLONPPABR-UHFFFAOYSA-N 0 0 171.265 2.626 10 0 AFAERN Cc1cc(=S)[nH]c(CC2CCC2)n1 307631731 346158918 /nfs/dbraw/zinc/15/89/18/346158918.db2.gz PHQNAFCFDMGYPG-UHFFFAOYSA-N 0 0 194.303 2.790 10 0 AFAERN Nc1ccc(-c2ccsn2)cc1F 307632177 346159554 /nfs/dbraw/zinc/15/95/54/346159554.db2.gz PSZUTFOMPXERKR-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1c(Cl)ccc2c1N(C)CCN2 307634448 346160774 /nfs/dbraw/zinc/16/07/74/346160774.db2.gz PUOXGEXAJXWAOL-UHFFFAOYSA-N 0 0 196.681 2.510 10 0 AFAERN Cc1nc(-c2cccc(F)n2)cs1 307635534 346161198 /nfs/dbraw/zinc/16/11/98/346161198.db2.gz RYKYRSDFWOJXJY-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1cocc1C(=O)C1CCCC1 307637196 346161750 /nfs/dbraw/zinc/16/17/50/346161750.db2.gz YCYSJWAEGGKQLX-UHFFFAOYSA-N 0 0 178.231 2.961 10 0 AFAERN Fc1cccnc1NCC1(F)CCC1 307637036 346161768 /nfs/dbraw/zinc/16/17/68/346161768.db2.gz XWCVIKDSSDRZKB-UHFFFAOYSA-N 0 0 198.216 2.525 10 0 AFAERN Cc1ccc(O)cc1-c1ccc[nH]1 307638397 346162082 /nfs/dbraw/zinc/16/20/82/346162082.db2.gz ZZCISYZGFVBJJY-UHFFFAOYSA-N 0 0 173.215 2.696 10 0 AFAERN Fc1ccc(NCC2(F)CC2)cc1 307639050 346162217 /nfs/dbraw/zinc/16/22/17/346162217.db2.gz DURUVKCHDUGWFJ-UHFFFAOYSA-N 0 0 183.201 2.740 10 0 AFAERN CSc1cc(C)c(F)c(F)c1 307639928 346162661 /nfs/dbraw/zinc/16/26/61/346162661.db2.gz DHMGNPRNFMYJDO-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN C[C@H](c1ccc(Cl)nc1)N1CCC1 307643148 346164316 /nfs/dbraw/zinc/16/43/16/346164316.db2.gz LENZUSKVVVDATQ-MRVPVSSYSA-N 0 0 196.681 2.502 10 0 AFAERN C[C@@H](c1ccc(Cl)nc1)N1CCC1 307643149 346164335 /nfs/dbraw/zinc/16/43/35/346164335.db2.gz LENZUSKVVVDATQ-QMMMGPOBSA-N 0 0 196.681 2.502 10 0 AFAERN COc1c(C)ccc(Cl)c1F 307646019 346165646 /nfs/dbraw/zinc/16/56/46/346165646.db2.gz AZMPEVBNDXMGCT-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN CSC1([C@@H](O)c2ccoc2)CCC1 307646260 346165713 /nfs/dbraw/zinc/16/57/13/346165713.db2.gz MRLKEHASPFAJGL-VIFPVBQESA-N 0 0 198.287 2.599 10 0 AFAERN CC[C@H](C)[C@](C)(O)c1cc(C)ns1 307653689 346167164 /nfs/dbraw/zinc/16/71/64/346167164.db2.gz QAZXURLLGNYFOO-XVKPBYJWSA-N 0 0 199.319 2.705 10 0 AFAERN CC[C@@H](C)[C@](C)(O)c1cc(C)ns1 307653688 346167269 /nfs/dbraw/zinc/16/72/69/346167269.db2.gz QAZXURLLGNYFOO-XCBNKYQSSA-N 0 0 199.319 2.705 10 0 AFAERN CC(C)(C)CNc1cc(Cl)cnn1 307654396 346167655 /nfs/dbraw/zinc/16/76/55/346167655.db2.gz VPVFGVYKBZFVAL-UHFFFAOYSA-N 0 0 199.685 2.588 10 0 AFAERN Cc1cc(O)ccc1-c1ccsn1 307654367 346167684 /nfs/dbraw/zinc/16/76/84/346167684.db2.gz RAXUMHPJMLNRRH-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN N[C@H](c1ccco1)c1sccc1F 307657073 346168276 /nfs/dbraw/zinc/16/82/76/346168276.db2.gz ZQKJQTGGRSOWDF-MRVPVSSYSA-N 0 0 197.234 2.528 10 0 AFAERN CCC1(c2[nH]nc(N)c2C(C)C)CC1 307655693 346168295 /nfs/dbraw/zinc/16/82/95/346168295.db2.gz XPJMCLYTBCKNKD-UHFFFAOYSA-N 0 0 193.294 2.557 10 0 AFAERN N[C@@H](c1ccco1)c1sccc1F 307657074 346168303 /nfs/dbraw/zinc/16/83/03/346168303.db2.gz ZQKJQTGGRSOWDF-QMMMGPOBSA-N 0 0 197.234 2.528 10 0 AFAERN CCc1cc(Cl)nnc1C(C)(C)C 307657656 346168763 /nfs/dbraw/zinc/16/87/63/346168763.db2.gz RUXLMTFZVKPTLF-UHFFFAOYSA-N 0 0 198.697 2.990 10 0 AFAERN CC1(C)CCC[N@@H+]1Cc1cscn1 307659661 346169836 /nfs/dbraw/zinc/16/98/36/346169836.db2.gz BBTBALRKCFZEKP-UHFFFAOYSA-N 0 0 196.319 2.518 10 0 AFAERN CC(C)(C)C(C)(C)Nc1ncccn1 307660462 346170176 /nfs/dbraw/zinc/17/01/76/346170176.db2.gz BNKOHOZLUJOSLS-UHFFFAOYSA-N 0 0 193.294 2.713 10 0 AFAERN CCOC(=O)c1ccc(C)c(C)c1F 307661350 346170260 /nfs/dbraw/zinc/17/02/60/346170260.db2.gz VUWGYZHDXVJUAL-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN O=Cc1cccc(-c2ccns2)c1 307663934 346171184 /nfs/dbraw/zinc/17/11/84/346171184.db2.gz JNPPFJIRLLDRQX-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN CCCCCSCCOC 307665084 346171675 /nfs/dbraw/zinc/17/16/75/346171675.db2.gz AJQMPUDEMDIJDD-UHFFFAOYSA-N 0 0 162.298 2.556 10 0 AFAERN CC(C)Sc1cnc(Cl)cn1 307667333 346172797 /nfs/dbraw/zinc/17/27/97/346172797.db2.gz OTDBSMWWBSSTDP-UHFFFAOYSA-N 0 0 188.683 2.631 10 0 AFAERN CC(C)C(C(C)C)[C@@H]1CC(=O)CCO1 307670727 346174359 /nfs/dbraw/zinc/17/43/59/346174359.db2.gz VIFRCHQTXOABAY-NSHDSACASA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)C(C(C)C)[C@H]1CC(=O)CCO1 307670726 346174472 /nfs/dbraw/zinc/17/44/72/346174472.db2.gz VIFRCHQTXOABAY-LLVKDONJSA-N 0 0 198.306 2.663 10 0 AFAERN Nc1ccc(F)c(-c2ccsn2)c1 307671159 346174788 /nfs/dbraw/zinc/17/47/88/346174788.db2.gz WGLRRCBTHMVAFZ-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN COc1cc(C)cc(Cl)c1F 307671971 346175344 /nfs/dbraw/zinc/17/53/44/346175344.db2.gz VSGRUVDFGVCPHN-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN C=COc1cccc(C=O)c1Cl 307673018 346175575 /nfs/dbraw/zinc/17/55/75/346175575.db2.gz YPGDLPHHUAUHLZ-UHFFFAOYSA-N 0 0 182.606 2.675 10 0 AFAERN CC[C@H](C)[C@@H](O)c1sccc1F 307675752 346176810 /nfs/dbraw/zinc/17/68/10/346176810.db2.gz GTTKUJWHPPUXAX-POYBYMJQSA-N 0 0 188.267 2.967 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1sccc1F 307675742 346176912 /nfs/dbraw/zinc/17/69/12/346176912.db2.gz GTTKUJWHPPUXAX-HTRCEHHLSA-N 0 0 188.267 2.967 10 0 AFAERN COc1cc(F)cc(C(=O)C(C)C)c1 307675567 346176927 /nfs/dbraw/zinc/17/69/27/346176927.db2.gz FUKVDBUOTZPEQP-UHFFFAOYSA-N 0 0 196.221 2.673 10 0 AFAERN CCCSCC1CCOCC1 307676707 346177209 /nfs/dbraw/zinc/17/72/09/346177209.db2.gz JEYJMCLPOBAUSH-UHFFFAOYSA-N 0 0 174.309 2.556 10 0 AFAERN CC(C)(C)C(C)(C)C1(O)CC1 307676843 346177394 /nfs/dbraw/zinc/17/73/94/346177394.db2.gz KAVNBJJWPSLUSW-UHFFFAOYSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)Nc1ccc(CO)c(Cl)c1 307677847 346177698 /nfs/dbraw/zinc/17/76/98/346177698.db2.gz JLYLGDORQKPUDQ-UHFFFAOYSA-N 0 0 199.681 2.653 10 0 AFAERN Cc1cc(N)c(F)cc1-c1ccc[nH]1 307677436 346178067 /nfs/dbraw/zinc/17/80/67/346178067.db2.gz LRKNQNOMTJWWSR-UHFFFAOYSA-N 0 0 190.221 2.711 10 0 AFAERN CCCSC[C@@H]1CCCOC1 307678523 346178260 /nfs/dbraw/zinc/17/82/60/346178260.db2.gz OMLVOOKBLUEPOM-SECBINFHSA-N 0 0 174.309 2.556 10 0 AFAERN CCCSC[C@H]1CCCOC1 307678525 346178352 /nfs/dbraw/zinc/17/83/52/346178352.db2.gz OMLVOOKBLUEPOM-VIFPVBQESA-N 0 0 174.309 2.556 10 0 AFAERN Cc1nc(C2=CCCC2)ccc1N 307678507 346178377 /nfs/dbraw/zinc/17/83/77/346178377.db2.gz OLUMLZALWZTHAZ-UHFFFAOYSA-N 0 0 174.247 2.540 10 0 AFAERN Cc1scc(C(=O)OC(C)C)c1C 307684731 346182152 /nfs/dbraw/zinc/18/21/52/346182152.db2.gz WIWSRYSJWCPRHX-UHFFFAOYSA-N 0 0 198.287 2.930 10 0 AFAERN CC1(Cc2cnc(N)s2)CCCC1 307685295 346182612 /nfs/dbraw/zinc/18/26/12/346182612.db2.gz YFCRIDDJUALPQI-UHFFFAOYSA-N 0 0 196.319 2.848 10 0 AFAERN CCC1([C@H](O)C2CCCC2)CC1 307686237 346183016 /nfs/dbraw/zinc/18/30/16/346183016.db2.gz JTKMQAPDDJZGBC-SNVBAGLBSA-N 0 0 168.280 2.728 10 0 AFAERN CC1(CNc2cccc(O)c2)CC1 307686303 346183037 /nfs/dbraw/zinc/18/30/37/346183037.db2.gz CUTATUQKFWCPRZ-UHFFFAOYSA-N 0 0 177.247 2.604 10 0 AFAERN CCC1([C@@H](O)C2CCCC2)CC1 307686235 346183044 /nfs/dbraw/zinc/18/30/44/346183044.db2.gz JTKMQAPDDJZGBC-JTQLQIEISA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H]1CC[C@H](C2(O)CC2)CC1 307685813 346183048 /nfs/dbraw/zinc/18/30/48/346183048.db2.gz ZVGJLMDOWDZUIM-MGCOHNPYSA-N 0 0 168.280 2.728 10 0 AFAERN Fc1cnc(=S)[nH]c1C1=CCCC1 307688561 346184335 /nfs/dbraw/zinc/18/43/35/346184335.db2.gz HPZLXYJZKMNQJB-UHFFFAOYSA-N 0 0 196.250 2.846 10 0 AFAERN Nc1ccc(C2=CCCC2)c(F)c1 307688641 346184397 /nfs/dbraw/zinc/18/43/97/346184397.db2.gz IDDLHVSZLAIVBT-UHFFFAOYSA-N 0 0 177.222 2.975 10 0 AFAERN CSC1([C@H](O)C(C)(C)C)CCC1 307688880 346184894 /nfs/dbraw/zinc/18/48/94/346184894.db2.gz IVIMFKGQGFUYAY-MRVPVSSYSA-N 0 0 188.336 2.679 10 0 AFAERN CSC1([C@@H](O)C(C)(C)C)CCC1 307688881 346185010 /nfs/dbraw/zinc/18/50/10/346185010.db2.gz IVIMFKGQGFUYAY-QMMMGPOBSA-N 0 0 188.336 2.679 10 0 AFAERN CSc1ccc(C(F)F)cc1N 307690687 346186217 /nfs/dbraw/zinc/18/62/17/346186217.db2.gz NNQPJUKEHAPPMG-UHFFFAOYSA-N 0 0 189.230 2.928 10 0 AFAERN CC(C)(F)[C@H](O)c1cccs1 307691978 346186515 /nfs/dbraw/zinc/18/65/15/346186515.db2.gz QUPOTMFFLAJYIV-SSDOTTSWSA-N 0 0 174.240 2.530 10 0 AFAERN CC(C)(F)[C@@H](O)c1cccs1 307691979 346186707 /nfs/dbraw/zinc/18/67/07/346186707.db2.gz QUPOTMFFLAJYIV-ZETCQYMHSA-N 0 0 174.240 2.530 10 0 AFAERN Cc1cc(N)ccc1-c1ccns1 307691974 346186718 /nfs/dbraw/zinc/18/67/18/346186718.db2.gz QTDCJRAIZWEXKY-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN S=c1nccc(C2=CCCC2)[nH]1 307692470 346187199 /nfs/dbraw/zinc/18/71/99/346187199.db2.gz SGSXVHSCLREJAR-UHFFFAOYSA-N 0 0 178.260 2.706 10 0 AFAERN CC1(C)CC[C@@]1(O)c1cccs1 307692826 346187257 /nfs/dbraw/zinc/18/72/57/346187257.db2.gz UOQZCWZMCUQYFA-SNVBAGLBSA-N 0 0 182.288 2.756 10 0 AFAERN CC1(C)CC[C@]1(O)c1cccs1 307692825 346187296 /nfs/dbraw/zinc/18/72/96/346187296.db2.gz UOQZCWZMCUQYFA-JTQLQIEISA-N 0 0 182.288 2.756 10 0 AFAERN S=c1cc(C2=CCCC2)cn[nH]1 307695903 346189351 /nfs/dbraw/zinc/18/93/51/346189351.db2.gz JRFOXARVAGZOFS-UHFFFAOYSA-N 0 0 178.260 2.706 10 0 AFAERN C[C@H]([C@@H](O)C1=CCCC1)C(C)(F)F 307697582 346190400 /nfs/dbraw/zinc/19/04/00/346190400.db2.gz MBMFFQUULQWSBQ-VXNVDRBHSA-N 0 0 190.233 2.749 10 0 AFAERN C[C@@H]([C@H](O)C1=CCCC1)C(C)(F)F 307697580 346190561 /nfs/dbraw/zinc/19/05/61/346190561.db2.gz MBMFFQUULQWSBQ-CBAPKCEASA-N 0 0 190.233 2.749 10 0 AFAERN C[C@@H]([C@@H](O)C1=CCCC1)C(C)(F)F 307697581 346190751 /nfs/dbraw/zinc/19/07/51/346190751.db2.gz MBMFFQUULQWSBQ-IONNQARKSA-N 0 0 190.233 2.749 10 0 AFAERN C[C@H]([C@H](O)C1=CCCC1)C(C)(F)F 307697579 346190794 /nfs/dbraw/zinc/19/07/94/346190794.db2.gz MBMFFQUULQWSBQ-APPZFPTMSA-N 0 0 190.233 2.749 10 0 AFAERN CC(C)=CCNc1cncc(C)c1 307700688 346191924 /nfs/dbraw/zinc/19/19/24/346191924.db2.gz QQMMTBXCSWOREJ-UHFFFAOYSA-N 0 0 176.263 2.768 10 0 AFAERN CNc1cc(Cl)c(C)cc1F 307702440 346192998 /nfs/dbraw/zinc/19/29/98/346192998.db2.gz PIJUXTJSFYCCPG-UHFFFAOYSA-N 0 0 173.618 2.829 10 0 AFAERN C[C@H](n1ccc(Cl)n1)C(F)(F)F 307725809 346205305 /nfs/dbraw/zinc/20/53/05/346205305.db2.gz BNPNRWMHCHMCHQ-BYPYZUCNSA-N 0 0 198.575 2.660 10 0 AFAERN C/C(=C\[C@]1(C)CCCS1)[C@@H](C)O 307705584 346194600 /nfs/dbraw/zinc/19/46/00/346194600.db2.gz YSJNMFALYGUVET-PSFRMBJNSA-N 0 0 186.320 2.599 10 0 AFAERN CC(=O)[C@@H](C)CC1=CCCC1 307706136 346194720 /nfs/dbraw/zinc/19/47/20/346194720.db2.gz WXZJWFNWRWILQO-QMMMGPOBSA-N 0 0 152.237 2.712 10 0 AFAERN S=c1cnc(-c2cccs2)c[nH]1 307706117 346194727 /nfs/dbraw/zinc/19/47/27/346194727.db2.gz ZLRAMDNNXHMKBE-UHFFFAOYSA-N 0 0 194.284 2.868 10 0 AFAERN C/C(=C\[C@]1(C)CCCS1)[C@H](C)O 307705583 346194745 /nfs/dbraw/zinc/19/47/45/346194745.db2.gz YSJNMFALYGUVET-GOPXOUGQSA-N 0 0 186.320 2.599 10 0 AFAERN OC(C1CCC1)(C1CCC1)C1CC1 307707058 346195280 /nfs/dbraw/zinc/19/52/80/346195280.db2.gz YNOCMFCMPQCLJP-UHFFFAOYSA-N 0 0 180.291 2.728 10 0 AFAERN Cc1ccc(O)c(C)c1NC(C)C 307707123 346195459 /nfs/dbraw/zinc/19/54/59/346195459.db2.gz GVNNTHZNVBZRTR-UHFFFAOYSA-N 0 0 179.263 2.829 10 0 AFAERN CCc1ccc([C@H](N)C(C)(C)F)o1 307708488 346195784 /nfs/dbraw/zinc/19/57/84/346195784.db2.gz JDUKUGCIAQHZEA-VIFPVBQESA-N 0 0 185.242 2.590 10 0 AFAERN CCc1ccc([C@@H](N)C(C)(C)F)o1 307708487 346195887 /nfs/dbraw/zinc/19/58/87/346195887.db2.gz JDUKUGCIAQHZEA-SECBINFHSA-N 0 0 185.242 2.590 10 0 AFAERN Cc1ccc(NC2CSC2)cc1F 307709547 346196331 /nfs/dbraw/zinc/19/63/31/346196331.db2.gz MTDJJFRRDZTMND-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN Cc1cnc(N[C@@H]2CC2(C)C)s1 307709711 346196366 /nfs/dbraw/zinc/19/63/66/346196366.db2.gz NGNQMQJIDQHHMA-SSDOTTSWSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1cc(NCC2(C)CCC2)no1 307709932 346196416 /nfs/dbraw/zinc/19/64/16/346196416.db2.gz NVLNMSAPPMAMHQ-UHFFFAOYSA-N 0 0 180.251 2.585 10 0 AFAERN Cc1nc(N(C)CC2CC2)sc1C 307709852 346196636 /nfs/dbraw/zinc/19/66/36/346196636.db2.gz NNRAENLSOAMJOF-UHFFFAOYSA-N 0 0 196.319 2.606 10 0 AFAERN Clc1sccc1-c1cc[nH]n1 307710056 346196841 /nfs/dbraw/zinc/19/68/41/346196841.db2.gz OIBBCXFHWGOPAD-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN C[C@H]1[C@H](C)C[C@H]1Nc1nccs1 307711685 346197087 /nfs/dbraw/zinc/19/70/87/346197087.db2.gz UWOXGSLWTGSWIR-GJMOJQLCSA-N 0 0 182.292 2.600 10 0 AFAERN C[C@@H]1[C@@H](Nc2nccs2)C[C@H]1C 307711684 346197094 /nfs/dbraw/zinc/19/70/94/346197094.db2.gz UWOXGSLWTGSWIR-CSMHCCOUSA-N 0 0 182.292 2.600 10 0 AFAERN C[C@@H]1C[C@@H](Nc2nccs2)[C@@H]1C 307711683 346197185 /nfs/dbraw/zinc/19/71/85/346197185.db2.gz UWOXGSLWTGSWIR-BWZBUEFSSA-N 0 0 182.292 2.600 10 0 AFAERN C[C@@H]1C[C@H](Nc2nccs2)[C@@H]1C 307711686 346197450 /nfs/dbraw/zinc/19/74/50/346197450.db2.gz UWOXGSLWTGSWIR-PRJMDXOYSA-N 0 0 182.292 2.600 10 0 AFAERN Cc1ccc(Cl)c(NCC2CC2)n1 307711925 346197657 /nfs/dbraw/zinc/19/76/57/346197657.db2.gz VOFKHPDBTFDOKM-UHFFFAOYSA-N 0 0 196.681 2.865 10 0 AFAERN CC(C)=CCNc1cnccc1C 307711784 346197743 /nfs/dbraw/zinc/19/77/43/346197743.db2.gz VENQKDWFGFTZNU-UHFFFAOYSA-N 0 0 176.263 2.768 10 0 AFAERN CNc1cccc(Cl)c1COC 307712266 346197790 /nfs/dbraw/zinc/19/77/90/346197790.db2.gz WMZVWWBDXCCKDU-UHFFFAOYSA-N 0 0 185.654 2.528 10 0 AFAERN C/C=C/CNc1ncccc1Cl 307712874 346198527 /nfs/dbraw/zinc/19/85/27/346198527.db2.gz YOPBWZYVUHEXQH-NSCUHMNNSA-N 0 0 182.654 2.723 10 0 AFAERN CC1(C2(Nc3nccs3)CC2)CC1 307719489 346201580 /nfs/dbraw/zinc/20/15/80/346201580.db2.gz RSSHHRHXNBAXSN-UHFFFAOYSA-N 0 0 194.303 2.888 10 0 AFAERN CC(C)[C@]1(C)C[C@H]1n1cc[nH]c1=S 307722118 346202929 /nfs/dbraw/zinc/20/29/29/346202929.db2.gz XWAFOWNOYXRFQM-SCZZXKLOSA-N 0 0 196.319 2.779 10 0 AFAERN CC(C)[C@]1(C)C[C@@H]1n1cc[nH]c1=S 307722120 346203013 /nfs/dbraw/zinc/20/30/13/346203013.db2.gz XWAFOWNOYXRFQM-WPRPVWTQSA-N 0 0 196.319 2.779 10 0 AFAERN CC(C)[C@@]1(C)C[C@H]1n1cc[nH]c1=S 307722117 346203108 /nfs/dbraw/zinc/20/31/08/346203108.db2.gz XWAFOWNOYXRFQM-PSASIEDQSA-N 0 0 196.319 2.779 10 0 AFAERN CC(C)[C@@]1(C)C[C@@H]1n1cc[nH]c1=S 307722119 346203167 /nfs/dbraw/zinc/20/31/67/346203167.db2.gz XWAFOWNOYXRFQM-WCBMZHEXSA-N 0 0 196.319 2.779 10 0 AFAERN CSCCc1cccc(F)c1F 307726287 346205117 /nfs/dbraw/zinc/20/51/17/346205117.db2.gz CQNWZKOZEJYGLO-UHFFFAOYSA-N 0 0 188.242 2.870 10 0 AFAERN C[C@@H](n1ccc(Cl)n1)C(F)(F)F 307725810 346205293 /nfs/dbraw/zinc/20/52/93/346205293.db2.gz BNPNRWMHCHMCHQ-SCSAIBSYSA-N 0 0 198.575 2.660 10 0 AFAERN COCCSC1CCCCC1 307728160 346206464 /nfs/dbraw/zinc/20/64/64/346206464.db2.gz GWDNICVTPFFRED-UHFFFAOYSA-N 0 0 174.309 2.699 10 0 AFAERN Cc1cc(C(=O)C(C)(C)F)oc1C 307729587 346207583 /nfs/dbraw/zinc/20/75/83/346207583.db2.gz GBICRWPQCJGEFY-UHFFFAOYSA-N 0 0 184.210 2.827 10 0 AFAERN Cc1noc(C)c1NCC1(C)CC1 307731167 346208028 /nfs/dbraw/zinc/20/80/28/346208028.db2.gz JKKDWEJSANRWEO-UHFFFAOYSA-N 0 0 180.251 2.503 10 0 AFAERN Nc1ccc(F)cc1C1=CCCC1 307732246 346209311 /nfs/dbraw/zinc/20/93/11/346209311.db2.gz PCHNIELZVQYCBM-UHFFFAOYSA-N 0 0 177.222 2.975 10 0 AFAERN Cc1oc(=S)[nH]c1C1CCCC1 307732823 346209457 /nfs/dbraw/zinc/20/94/57/346209457.db2.gz MJAZWXIPEXJSOG-UHFFFAOYSA-N 0 0 183.276 2.929 10 0 AFAERN Cc1c(N)n[nH]c1C(C(C)C)C(C)C 307733806 346209917 /nfs/dbraw/zinc/20/99/17/346209917.db2.gz TUFMGPXRFLTSHE-UHFFFAOYSA-N 0 0 195.310 2.696 10 0 AFAERN CC(C)C(=O)N1CCCC12CCCC2 307737184 346211563 /nfs/dbraw/zinc/21/15/63/346211563.db2.gz UDYOETYGUGCZHF-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN Nc1c(F)cccc1-c1cscn1 307739227 346211982 /nfs/dbraw/zinc/21/19/82/346211982.db2.gz YJVGSTXPYANGIK-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN C[C@@H]1CCC[C@H](c2cc(N)on2)C1 307738591 346212010 /nfs/dbraw/zinc/21/20/10/346212010.db2.gz XBNONOHJPLOXOO-SFYZADRCSA-N 0 0 180.251 2.551 10 0 AFAERN C[C@H]1CCC[C@@H](c2cc(N)on2)C1 307738590 346212014 /nfs/dbraw/zinc/21/20/14/346212014.db2.gz XBNONOHJPLOXOO-JGVFFNPUSA-N 0 0 180.251 2.551 10 0 AFAERN C[C@H]1CCC[C@H](c2cc(N)on2)C1 307738592 346212226 /nfs/dbraw/zinc/21/22/26/346212226.db2.gz XBNONOHJPLOXOO-YUMQZZPRSA-N 0 0 180.251 2.551 10 0 AFAERN C[C@@H]1CCC[C@@H](c2cc(N)on2)C1 307738589 346212290 /nfs/dbraw/zinc/21/22/90/346212290.db2.gz XBNONOHJPLOXOO-HTQZYQBOSA-N 0 0 180.251 2.551 10 0 AFAERN Nc1cc(F)cc(-c2ccoc2)c1 307739224 346212300 /nfs/dbraw/zinc/21/23/00/346212300.db2.gz YJQPWCFVWSCEHF-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CC(C)ON[C@@H]1CCC[C@@H](C)[C@H]1C 307739884 346212427 /nfs/dbraw/zinc/21/24/27/346212427.db2.gz ZNKPZJURRUGUHL-GMTAPVOTSA-N 0 0 185.311 2.741 10 0 AFAERN CC(C)ON[C@@H]1CCC[C@H](C)[C@@H]1C 307739883 346212472 /nfs/dbraw/zinc/21/24/72/346212472.db2.gz ZNKPZJURRUGUHL-GARJFASQSA-N 0 0 185.311 2.741 10 0 AFAERN CC(C)ON[C@@H]1CCC[C@@H](C)[C@@H]1C 307739888 346212771 /nfs/dbraw/zinc/21/27/71/346212771.db2.gz ZNKPZJURRUGUHL-OUAUKWLOSA-N 0 0 185.311 2.741 10 0 AFAERN CC(C)ON[C@@H]1CCC[C@H](C)[C@H]1C 307739886 346212895 /nfs/dbraw/zinc/21/28/95/346212895.db2.gz ZNKPZJURRUGUHL-HBNTYKKESA-N 0 0 185.311 2.741 10 0 AFAERN Cc1ccnc(N[C@H]2C[C@@H]2C)c1Cl 307742151 346213113 /nfs/dbraw/zinc/21/31/13/346213113.db2.gz KEZKMPOODMBVDS-YUMQZZPRSA-N 0 0 196.681 2.864 10 0 AFAERN C[C@H](c1ccnc(Cl)c1)N1CCC1 307741664 346213167 /nfs/dbraw/zinc/21/31/67/346213167.db2.gz JJDZLCPIBXYXJB-MRVPVSSYSA-N 0 0 196.681 2.502 10 0 AFAERN Cc1ccnc(N[C@H]2C[C@H]2C)c1Cl 307742150 346213186 /nfs/dbraw/zinc/21/31/86/346213186.db2.gz KEZKMPOODMBVDS-SFYZADRCSA-N 0 0 196.681 2.864 10 0 AFAERN Cc1ccnc(N[C@@H]2C[C@@H]2C)c1Cl 307742149 346213194 /nfs/dbraw/zinc/21/31/94/346213194.db2.gz KEZKMPOODMBVDS-JGVFFNPUSA-N 0 0 196.681 2.864 10 0 AFAERN C[C@@H](c1ccnc(Cl)c1)N1CCC1 307741665 346213469 /nfs/dbraw/zinc/21/34/69/346213469.db2.gz JJDZLCPIBXYXJB-QMMMGPOBSA-N 0 0 196.681 2.502 10 0 AFAERN FCCNc1snc2ccccc12 307742749 346213772 /nfs/dbraw/zinc/21/37/72/346213772.db2.gz KWQSMYOYGOVFLE-UHFFFAOYSA-N 0 0 196.250 2.678 10 0 AFAERN Cc1noc(-c2csc(C)c2C)n1 307744385 346214483 /nfs/dbraw/zinc/21/44/83/346214483.db2.gz OLTCUEMQYYOMHK-UHFFFAOYSA-N 0 0 194.259 2.723 10 0 AFAERN Cc1cnc(N[C@H]2CC[C@H]2C)s1 307745093 346215318 /nfs/dbraw/zinc/21/53/18/346215318.db2.gz QPVYJCWHNABPHO-SVRRBLITSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1cnc(N[C@@H]2CC[C@@H]2C)s1 307745092 346215348 /nfs/dbraw/zinc/21/53/48/346215348.db2.gz QPVYJCWHNABPHO-POYBYMJQSA-N 0 0 182.292 2.662 10 0 AFAERN CSc1ccc(-c2cn[nH]c2)cc1 307746032 346216364 /nfs/dbraw/zinc/21/63/64/346216364.db2.gz UFOPNJKSIGFTMB-UHFFFAOYSA-N 0 0 190.271 2.799 10 0 AFAERN CC(C)c1cc(NCC2(F)CC2)no1 307746734 346216420 /nfs/dbraw/zinc/21/64/20/346216420.db2.gz WJUIIDBVBASTAU-UHFFFAOYSA-N 0 0 198.241 2.712 10 0 AFAERN CC(F)(F)C[C@H](O)C1=CCCC1 307747786 346217730 /nfs/dbraw/zinc/21/77/30/346217730.db2.gz ZVTGVFBNNZJBKZ-QMMMGPOBSA-N 0 0 176.206 2.503 10 0 AFAERN Nc1cccc(N2CCCC2)c1Cl 307747710 346217756 /nfs/dbraw/zinc/21/77/56/346217756.db2.gz ZNENXGJYKQUOIR-UHFFFAOYSA-N 0 0 196.681 2.522 10 0 AFAERN CC(F)(F)C[C@@H](O)C1=CCCC1 307747785 346217788 /nfs/dbraw/zinc/21/77/88/346217788.db2.gz ZVTGVFBNNZJBKZ-MRVPVSSYSA-N 0 0 176.206 2.503 10 0 AFAERN Cc1cc(F)cc2c1N(C)CCC2 307748659 346218267 /nfs/dbraw/zinc/21/82/67/346218267.db2.gz CQVYFZYORGBXMK-UHFFFAOYSA-N 0 0 179.238 2.517 10 0 AFAERN C(CC1CC1)SCC1CC1 307748319 346218392 /nfs/dbraw/zinc/21/83/92/346218392.db2.gz AXSGLKGWKBCMJQ-UHFFFAOYSA-N 0 0 156.294 2.930 10 0 AFAERN CC(C)(F)C(=O)c1ccsc1 307750613 346219964 /nfs/dbraw/zinc/21/99/64/346219964.db2.gz KSROAZCNVQSBSG-UHFFFAOYSA-N 0 0 172.224 2.679 10 0 AFAERN C[C@H]1[C@H](C)C[C@@]1(O)Cc1cccs1 307751470 346220824 /nfs/dbraw/zinc/22/08/24/346220824.db2.gz OCTMPIRNHPIHGX-WCABBAIRSA-N 0 0 196.315 2.698 10 0 AFAERN C[C@@H]1C[C@](O)(Cc2cccs2)[C@@H]1C 307751469 346220930 /nfs/dbraw/zinc/22/09/30/346220930.db2.gz OCTMPIRNHPIHGX-KKZNHRDASA-N 0 0 196.315 2.698 10 0 AFAERN Cc1cc(C(=O)C2CCCC2)sn1 307754868 346223373 /nfs/dbraw/zinc/22/33/73/346223373.db2.gz BOHMSRARFOBDSC-UHFFFAOYSA-N 0 0 195.287 2.824 10 0 AFAERN CC(C)CCn1ccc(Cl)n1 307754512 346223740 /nfs/dbraw/zinc/22/37/40/346223740.db2.gz ZQAZJGQFJLRFPR-UHFFFAOYSA-N 0 0 172.659 2.583 10 0 AFAERN Cc1ccc(NC2CSC2)c(F)c1 307754331 346223811 /nfs/dbraw/zinc/22/38/11/346223811.db2.gz ZAVNGMPITCXELJ-UHFFFAOYSA-N 0 0 197.278 2.661 10 0 AFAERN CCSCCc1scnc1C 307755410 346224523 /nfs/dbraw/zinc/22/45/23/346224523.db2.gz DHJAHAMUHOQKSX-UHFFFAOYSA-N 0 0 187.333 2.747 10 0 AFAERN S=c1[nH]ccnc1C1=CCCC1 307755532 346224529 /nfs/dbraw/zinc/22/45/29/346224529.db2.gz DUSRSKLZWIDYFC-UHFFFAOYSA-N 0 0 178.260 2.706 10 0 AFAERN CC[C@H]1CC[C@@H]1Nc1cccnc1 307756141 346224749 /nfs/dbraw/zinc/22/47/49/346224749.db2.gz GWJUBBVWTXSSCL-ONGXEEELSA-N 0 0 176.263 2.682 10 0 AFAERN CC[C@H]1CC[C@H]1Nc1cccnc1 307756138 346224752 /nfs/dbraw/zinc/22/47/52/346224752.db2.gz GWJUBBVWTXSSCL-GXSJLCMTSA-N 0 0 176.263 2.682 10 0 AFAERN CC[C@@H]1CC[C@@H]1Nc1cccnc1 307756139 346224771 /nfs/dbraw/zinc/22/47/71/346224771.db2.gz GWJUBBVWTXSSCL-KOLCDFICSA-N 0 0 176.263 2.682 10 0 AFAERN CC[C@@H]1CC[C@H]1Nc1cccnc1 307756140 346224794 /nfs/dbraw/zinc/22/47/94/346224794.db2.gz GWJUBBVWTXSSCL-MWLCHTKSSA-N 0 0 176.263 2.682 10 0 AFAERN CC[Si](CC)(CC)/C(C)=C\CO 307992220 346248454 /nfs/dbraw/zinc/24/84/54/346248454.db2.gz XSDAUIUGZAGNEB-NTMALXAHSA-N 0 0 186.371 2.973 10 0 AFAERN Cc1[nH]c(CC2CCCCC2)nc1O 307758791 346225773 /nfs/dbraw/zinc/22/57/73/346225773.db2.gz PSXGVUCIMKKXLT-UHFFFAOYSA-N 0 0 194.278 2.547 10 0 AFAERN Cc1c[nH+]c(NC2CCC2)c(C)c1 307760905 346227844 /nfs/dbraw/zinc/22/78/44/346227844.db2.gz XNNARXSSHSMAGJ-UHFFFAOYSA-N 0 0 176.263 2.663 10 0 AFAERN Cc1cc(-c2ccoc2C=O)sn1 307761124 346227872 /nfs/dbraw/zinc/22/78/72/346227872.db2.gz YGDURCJJSMZUBU-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(=O)[C@@H](C)C/C(C)=C\Cl 307833382 346229864 /nfs/dbraw/zinc/22/98/64/346229864.db2.gz MBHALUIAZRQHBL-RBSILHGTSA-N 0 0 160.644 2.744 10 0 AFAERN CC(=O)[C@H](C)C/C(C)=C\Cl 307833381 346230078 /nfs/dbraw/zinc/23/00/78/346230078.db2.gz MBHALUIAZRQHBL-KXTMECRCSA-N 0 0 160.644 2.744 10 0 AFAERN CSCCCCOC(C)(C)C 307851078 346230122 /nfs/dbraw/zinc/23/01/22/346230122.db2.gz AEGVCJQCQFGIBQ-UHFFFAOYSA-N 0 0 176.325 2.945 10 0 AFAERN C/C=C/CSCCOC(C)C 307852279 346230599 /nfs/dbraw/zinc/23/05/99/346230599.db2.gz CBCRXSQENXXAAF-SNAWJCMRSA-N 0 0 174.309 2.721 10 0 AFAERN CCC[C@@H](C)S[C@H](C)C(C)=O 307857770 346230638 /nfs/dbraw/zinc/23/06/38/346230638.db2.gz DIZUBKRIRQVXFE-VXNVDRBHSA-N 0 0 174.309 2.886 10 0 AFAERN CC(C)OCCSCCCF 307858317 346230649 /nfs/dbraw/zinc/23/06/49/346230649.db2.gz DNYLGFBCEDFLHS-UHFFFAOYSA-N 0 0 180.288 2.504 10 0 AFAERN CCC[C@H](C)S[C@H](C)C(C)=O 307857769 346230653 /nfs/dbraw/zinc/23/06/53/346230653.db2.gz DIZUBKRIRQVXFE-IONNQARKSA-N 0 0 174.309 2.886 10 0 AFAERN CCC[C@@H](C)S[C@@H](C)C(C)=O 307857767 346230668 /nfs/dbraw/zinc/23/06/68/346230668.db2.gz DIZUBKRIRQVXFE-APPZFPTMSA-N 0 0 174.309 2.886 10 0 AFAERN CCC[C@H](C)S[C@@H](C)C(C)=O 307857768 346230745 /nfs/dbraw/zinc/23/07/45/346230745.db2.gz DIZUBKRIRQVXFE-CBAPKCEASA-N 0 0 174.309 2.886 10 0 AFAERN CC(=O)CSCCCC(C)C 307852239 346230758 /nfs/dbraw/zinc/23/07/58/346230758.db2.gz BWWWUJNCYQQPMY-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CCCCSCc1ccno1 307858463 346230760 /nfs/dbraw/zinc/23/07/60/346230760.db2.gz FPAOSFPTKISKDE-UHFFFAOYSA-N 0 0 171.265 2.708 10 0 AFAERN CCCSCCC(C)(C)OC 307853499 346230817 /nfs/dbraw/zinc/23/08/17/346230817.db2.gz CLOJDHJHHJVTDW-UHFFFAOYSA-N 0 0 176.325 2.945 10 0 AFAERN C/C=C\CSCCOC(C)C 307852278 346230844 /nfs/dbraw/zinc/23/08/44/346230844.db2.gz CBCRXSQENXXAAF-PLNGDYQASA-N 0 0 174.309 2.721 10 0 AFAERN COCCCCCSC(C)C 307858564 346230862 /nfs/dbraw/zinc/23/08/62/346230862.db2.gz DTIRHQNBZXTUJY-UHFFFAOYSA-N 0 0 176.325 2.945 10 0 AFAERN COCCCCSCC(C)C 307856934 346230869 /nfs/dbraw/zinc/23/08/69/346230869.db2.gz DBDXYSUMONNXIM-UHFFFAOYSA-N 0 0 176.325 2.802 10 0 AFAERN CC(C)CSCCC[C@@H](C)O 307860307 346231328 /nfs/dbraw/zinc/23/13/28/346231328.db2.gz GGSJRLSJMWXVNZ-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)CSCCC[C@H](C)O 307860309 346231343 /nfs/dbraw/zinc/23/13/43/346231343.db2.gz GGSJRLSJMWXVNZ-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN C/C(=C/Cl)C[C@H]1CCCC1=O 307881917 346232052 /nfs/dbraw/zinc/23/20/52/346232052.db2.gz SCXZBUWKBBZSSQ-NFXKFNAJSA-N 0 0 172.655 2.888 10 0 AFAERN C/C(=C/Cl)C[C@@H]1CCCC1=O 307881918 346232079 /nfs/dbraw/zinc/23/20/79/346232079.db2.gz SCXZBUWKBBZSSQ-UAPHAKCISA-N 0 0 172.655 2.888 10 0 AFAERN COCCCSCCC(C)C 307892879 346232630 /nfs/dbraw/zinc/23/26/30/346232630.db2.gz GICRFIVQEICYGT-UHFFFAOYSA-N 0 0 176.325 2.802 10 0 AFAERN COC[C@H](C)S[C@H](C)C(C)C 307892889 346232663 /nfs/dbraw/zinc/23/26/63/346232663.db2.gz GIUUUFBLDBFCDG-DTWKUNHWSA-N 0 0 176.325 2.799 10 0 AFAERN COC[C@@H](C)S[C@@H](C)C(C)C 307892888 346232756 /nfs/dbraw/zinc/23/27/56/346232756.db2.gz GIUUUFBLDBFCDG-BDAKNGLRSA-N 0 0 176.325 2.799 10 0 AFAERN COC[C@H](C)S[C@@H](C)C(C)C 307892890 346233257 /nfs/dbraw/zinc/23/32/57/346233257.db2.gz GIUUUFBLDBFCDG-IUCAKERBSA-N 0 0 176.325 2.799 10 0 AFAERN COC[C@@H](C)S[C@H](C)C(C)C 307892891 346233326 /nfs/dbraw/zinc/23/33/26/346233326.db2.gz GIUUUFBLDBFCDG-RKDXNWHRSA-N 0 0 176.325 2.799 10 0 AFAERN COCCSCCCCCF 307893261 346233459 /nfs/dbraw/zinc/23/34/59/346233459.db2.gz GMZYZHGNDPDOJX-UHFFFAOYSA-N 0 0 180.288 2.506 10 0 AFAERN C[C@@H](O)/C=C\c1cc(Cl)cs1 307901931 346233980 /nfs/dbraw/zinc/23/39/80/346233980.db2.gz QSDBDRMNLZQYNJ-VROIDLATSA-N 0 0 188.679 2.796 10 0 AFAERN C/C(=C\[C@H](C)O)c1cccs1 307906858 346234301 /nfs/dbraw/zinc/23/43/01/346234301.db2.gz CFRDWLKFUJGRLH-CZEYKFRCSA-N 0 0 168.261 2.532 10 0 AFAERN COC(C)(C)CCSC(C)C 307905398 346234554 /nfs/dbraw/zinc/23/45/54/346234554.db2.gz REEIRRHOBIVVDG-UHFFFAOYSA-N 0 0 176.325 2.943 10 0 AFAERN C/C=C\CS[C@H](C)CCOC 307917174 346234731 /nfs/dbraw/zinc/23/47/31/346234731.db2.gz BQFDQCSSERNGQO-XRVBUDJMSA-N 0 0 174.309 2.721 10 0 AFAERN C/C=C/CS[C@H](C)CCOC 307917173 346234835 /nfs/dbraw/zinc/23/48/35/346234835.db2.gz BQFDQCSSERNGQO-XNPJLODASA-N 0 0 174.309 2.721 10 0 AFAERN COC[C@H](C)SCCCSC 307917596 346234748 /nfs/dbraw/zinc/23/47/48/346234748.db2.gz CEUYARPGSCLULZ-QMMMGPOBSA-N 0 0 194.365 2.508 10 0 AFAERN CCSCCCOC(C)(C)C 307914429 346234844 /nfs/dbraw/zinc/23/48/44/346234844.db2.gz BCZWYXIZCCRYGK-UHFFFAOYSA-N 0 0 176.325 2.945 10 0 AFAERN C/C=C/CS[C@@H](C)CCOC 307917171 346234882 /nfs/dbraw/zinc/23/48/82/346234882.db2.gz BQFDQCSSERNGQO-MOVJSRMASA-N 0 0 174.309 2.721 10 0 AFAERN C/C=C\CS[C@@H](C)CCOC 307917172 346234895 /nfs/dbraw/zinc/23/48/95/346234895.db2.gz BQFDQCSSERNGQO-WBSSQXGSSA-N 0 0 174.309 2.721 10 0 AFAERN COCCSCC1CCCC1 307914574 346234933 /nfs/dbraw/zinc/23/49/33/346234933.db2.gz BHUDVMXYIUOJPZ-UHFFFAOYSA-N 0 0 174.309 2.556 10 0 AFAERN COC[C@@H](C)SCCCSC 307917592 346234940 /nfs/dbraw/zinc/23/49/40/346234940.db2.gz CEUYARPGSCLULZ-MRVPVSSYSA-N 0 0 194.365 2.508 10 0 AFAERN C[C@H](O)/C=C1\CC[C@H](C)[C@@H](C)C1 307922611 346235380 /nfs/dbraw/zinc/23/53/80/346235380.db2.gz JRFKUIPBCYWTST-LRESCIBYSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)C[C@H](C)SCCCO 307919038 346235480 /nfs/dbraw/zinc/23/54/80/346235480.db2.gz FZERLEKNQYGNMK-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN C[C@H](O)/C=C1\CC[C@H](C)[C@H](C)C1 307922609 346235563 /nfs/dbraw/zinc/23/55/63/346235563.db2.gz JRFKUIPBCYWTST-HMEVIBFDSA-N 0 0 168.280 2.750 10 0 AFAERN COCCSCC1(C)CCC1 307919646 346235595 /nfs/dbraw/zinc/23/55/95/346235595.db2.gz HHANTWXJACILDV-UHFFFAOYSA-N 0 0 174.309 2.556 10 0 AFAERN CC(C)C[C@@H](C)SCCCO 307919037 346235607 /nfs/dbraw/zinc/23/56/07/346235607.db2.gz FZERLEKNQYGNMK-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)CCSc1cccnn1 307928012 346236051 /nfs/dbraw/zinc/23/60/51/346236051.db2.gz ABKBJEKZMVBYHC-UHFFFAOYSA-N 0 0 182.292 2.615 10 0 AFAERN CC(C)OCCSCCCCF 307928016 346236189 /nfs/dbraw/zinc/23/61/89/346236189.db2.gz ABLGPOZMRJQAOT-UHFFFAOYSA-N 0 0 194.315 2.894 10 0 AFAERN C/C(=C/C1CCCCC1)[C@@H](C)O 307930766 346236357 /nfs/dbraw/zinc/23/63/57/346236357.db2.gz CAEZUXPMWOCFGI-HSTULFTRSA-N 0 0 168.280 2.894 10 0 AFAERN C/C(=C/C1CCCCC1)[C@H](C)O 307930775 346236623 /nfs/dbraw/zinc/23/66/23/346236623.db2.gz CAEZUXPMWOCFGI-QROTZFDESA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)OCCSCC1CCC1 307929286 346236782 /nfs/dbraw/zinc/23/67/82/346236782.db2.gz BGVXFMRJOHUENU-UHFFFAOYSA-N 0 0 188.336 2.945 10 0 AFAERN C/C=C\CNc1cccc(F)c1 307934616 346237161 /nfs/dbraw/zinc/23/71/61/346237161.db2.gz JNENHNLELSRNMN-IHWYPQMZSA-N 0 0 165.211 2.814 10 0 AFAERN Cc1cc(Cl)ccc1/C=C\CO 307933515 346237299 /nfs/dbraw/zinc/23/72/99/346237299.db2.gz GQPUCHBXWQBVSZ-IHWYPQMZSA-N 0 0 182.650 2.654 10 0 AFAERN C/C=C/CSCc1ccccn1 307943928 346239155 /nfs/dbraw/zinc/23/91/55/346239155.db2.gz GDZZTSYOIRCUPU-NSCUHMNNSA-N 0 0 179.288 2.891 10 0 AFAERN C/C=C\CSCc1cc(C)on1 307938874 346237752 /nfs/dbraw/zinc/23/77/52/346237752.db2.gz AKJCPQRCNUMKLJ-ARJAWSKDSA-N 0 0 183.276 2.792 10 0 AFAERN C/C=C/CSCc1cc(C)on1 307938875 346237910 /nfs/dbraw/zinc/23/79/10/346237910.db2.gz AKJCPQRCNUMKLJ-ONEGZZNKSA-N 0 0 183.276 2.792 10 0 AFAERN CC(C)=CCSCc1ccno1 307942242 346238027 /nfs/dbraw/zinc/23/80/27/346238027.db2.gz DAFNFLRVNZTWAT-UHFFFAOYSA-N 0 0 183.276 2.874 10 0 AFAERN C/C=C\C[S@](=O)C1CCCCC1 307943329 346238131 /nfs/dbraw/zinc/23/81/31/346238131.db2.gz FIFSQQINACYOJO-DLGQBQFBSA-N 0 0 186.320 2.644 10 0 AFAERN CC(C)CCSC[C@H]1CCOC1 307942232 346238162 /nfs/dbraw/zinc/23/81/62/346238162.db2.gz CYZXZFKXGJVBNL-JTQLQIEISA-N 0 0 188.336 2.802 10 0 AFAERN CC(C)CCSC[C@@H]1CCOC1 307942233 346238202 /nfs/dbraw/zinc/23/82/02/346238202.db2.gz CYZXZFKXGJVBNL-SNVBAGLBSA-N 0 0 188.336 2.802 10 0 AFAERN C/C=C\C[S@@](=O)C1CCCCC1 307943330 346238466 /nfs/dbraw/zinc/23/84/66/346238466.db2.gz FIFSQQINACYOJO-ZZKXABKFSA-N 0 0 186.320 2.644 10 0 AFAERN C/C=C/CSCCOCC1CC1 307943911 346238870 /nfs/dbraw/zinc/23/88/70/346238870.db2.gz GDLMPMPYURSUNL-NSCUHMNNSA-N 0 0 186.320 2.722 10 0 AFAERN C/C=C/C[S@@](=O)CC1CCCC1 307944165 346238879 /nfs/dbraw/zinc/23/88/79/346238879.db2.gz GOCDQLKFINCMMP-QAVQXKDTSA-N 0 0 186.320 2.501 10 0 AFAERN C/C=C\C[S@](=O)CC1CCCC1 307944163 346238993 /nfs/dbraw/zinc/23/89/93/346238993.db2.gz GOCDQLKFINCMMP-DLGQBQFBSA-N 0 0 186.320 2.501 10 0 AFAERN C/C=C/C[S@](=O)CC1CCCC1 307944164 346239043 /nfs/dbraw/zinc/23/90/43/346239043.db2.gz GOCDQLKFINCMMP-JDGPPOGSSA-N 0 0 186.320 2.501 10 0 AFAERN C/C=C\CSCc1ccccn1 307943927 346239062 /nfs/dbraw/zinc/23/90/62/346239062.db2.gz GDZZTSYOIRCUPU-IHWYPQMZSA-N 0 0 179.288 2.891 10 0 AFAERN C/C=C\CSCCOCC1CC1 307943910 346239100 /nfs/dbraw/zinc/23/91/00/346239100.db2.gz GDLMPMPYURSUNL-IHWYPQMZSA-N 0 0 186.320 2.722 10 0 AFAERN C/C=C\C[S@@](=O)CC1CCCC1 307944166 346239104 /nfs/dbraw/zinc/23/91/04/346239104.db2.gz GOCDQLKFINCMMP-ZZKXABKFSA-N 0 0 186.320 2.501 10 0 AFAERN C/C(=C\CO)CCc1cccs1 307951763 346240726 /nfs/dbraw/zinc/24/07/26/346240726.db2.gz VHNGSZNPVOKYKY-RMKNXTFCSA-N 0 0 182.288 2.619 10 0 AFAERN CC(C)N(CC(F)F)C1CCC1 307956847 346241409 /nfs/dbraw/zinc/24/14/09/346241409.db2.gz GKQOKQSIKPJOFA-UHFFFAOYSA-N 0 0 177.238 2.514 10 0 AFAERN CC(C)CCSC[C@@H]1CCCO1 307958052 346241608 /nfs/dbraw/zinc/24/16/08/346241608.db2.gz HSUCIZWWMUWIHX-JTQLQIEISA-N 0 0 188.336 2.945 10 0 AFAERN CC(C)CCSC[C@H]1CCCO1 307958053 346241634 /nfs/dbraw/zinc/24/16/34/346241634.db2.gz HSUCIZWWMUWIHX-SNVBAGLBSA-N 0 0 188.336 2.945 10 0 AFAERN CC(C)C(C)(C)[S@@](=O)CC1CC1 307959744 346241880 /nfs/dbraw/zinc/24/18/80/346241880.db2.gz JOGNOYBZLGGIPK-LBPRGKRZSA-N 0 0 188.336 2.580 10 0 AFAERN CC(C)C(C)(C)[S@](=O)CC1CC1 307959742 346242217 /nfs/dbraw/zinc/24/22/17/346242217.db2.gz JOGNOYBZLGGIPK-GFCCVEGCSA-N 0 0 188.336 2.580 10 0 AFAERN CCCSCCc1cccnc1 307963375 346242768 /nfs/dbraw/zinc/24/27/68/346242768.db2.gz ZAFBKQUOVHMDQP-UHFFFAOYSA-N 0 0 181.304 2.767 10 0 AFAERN CC/C=C\C(=O)Nc1ccsc1 307966321 346243132 /nfs/dbraw/zinc/24/31/32/346243132.db2.gz CCPPBXVILARJTG-ARJAWSKDSA-N 0 0 181.260 2.653 10 0 AFAERN C/C=C/C[S@](=O)C(C)(C)C(C)C 307964116 346243148 /nfs/dbraw/zinc/24/31/48/346243148.db2.gz ZQYARJLOGKENKJ-SYTKJHMZSA-N 0 0 188.336 2.746 10 0 AFAERN C/C=C/C[S@@](=O)C(C)(C)C(C)C 307964115 346243291 /nfs/dbraw/zinc/24/32/91/346243291.db2.gz ZQYARJLOGKENKJ-NNNHXZLVSA-N 0 0 188.336 2.746 10 0 AFAERN C/C=C\C[S@@](=O)C(C)(C)C(C)C 307964117 346243354 /nfs/dbraw/zinc/24/33/54/346243354.db2.gz ZQYARJLOGKENKJ-ZHRWSRJISA-N 0 0 188.336 2.746 10 0 AFAERN C/C=C\C[S@](=O)C(C)(C)C(C)C 307964114 346243414 /nfs/dbraw/zinc/24/34/14/346243414.db2.gz ZQYARJLOGKENKJ-DGMVEKRQSA-N 0 0 188.336 2.746 10 0 AFAERN CCCCOc1ccc(C)cn1 307967434 346243871 /nfs/dbraw/zinc/24/38/71/346243871.db2.gz DDZZCODYHIHFBF-UHFFFAOYSA-N 0 0 165.236 2.569 10 0 AFAERN CCCCC[S@](=O)CCC(C)C 307969514 346244354 /nfs/dbraw/zinc/24/43/54/346244354.db2.gz FYLSJPKUDMUWJM-LBPRGKRZSA-N 0 0 190.352 2.971 10 0 AFAERN c1cc(CSCC2CCC2)on1 307971981 346244897 /nfs/dbraw/zinc/24/48/97/346244897.db2.gz YRZOEMXJJRIONY-UHFFFAOYSA-N 0 0 183.276 2.708 10 0 AFAERN CC(C)CCSC1CCOCC1 307972587 346245617 /nfs/dbraw/zinc/24/56/17/346245617.db2.gz ZEJGPZBJBCRVCW-UHFFFAOYSA-N 0 0 188.336 2.945 10 0 AFAERN COC(C)(C)CCSCC1CC1 307974721 346245905 /nfs/dbraw/zinc/24/59/05/346245905.db2.gz JZCAFAALYYNPDT-UHFFFAOYSA-N 0 0 188.336 2.945 10 0 AFAERN CCCC[S@](=O)C(C)(C)C(C)C 307993267 346248190 /nfs/dbraw/zinc/24/81/90/346248190.db2.gz VCNWQKHGNPRATA-LBPRGKRZSA-N 0 0 190.352 2.970 10 0 AFAERN CCCC[S@@](=O)C(C)(C)C(C)C 307993266 346248221 /nfs/dbraw/zinc/24/82/21/346248221.db2.gz VCNWQKHGNPRATA-GFCCVEGCSA-N 0 0 190.352 2.970 10 0 AFAERN CC[C@H](C)CSC1CCOCC1 308003872 346249312 /nfs/dbraw/zinc/24/93/12/346249312.db2.gz CIRFOSJLDTWQLW-VIFPVBQESA-N 0 0 188.336 2.945 10 0 AFAERN CC[C@@H](C)CSC1CCOCC1 308003871 346249427 /nfs/dbraw/zinc/24/94/27/346249427.db2.gz CIRFOSJLDTWQLW-SECBINFHSA-N 0 0 188.336 2.945 10 0 AFAERN CCCc1noc([C@@H](C)CC)n1 308016942 346250531 /nfs/dbraw/zinc/25/05/31/346250531.db2.gz QPXCKJHFDIPGIX-ZETCQYMHSA-N 0 0 168.240 2.536 10 0 AFAERN COC(=O)/C=C(\C)c1sccc1C 308010811 346250801 /nfs/dbraw/zinc/25/08/01/346250801.db2.gz BAAUTKLKJZCMLX-SOFGYWHQSA-N 0 0 196.271 2.633 10 0 AFAERN CCCc1noc([C@H](C)CC)n1 308016940 346250812 /nfs/dbraw/zinc/25/08/12/346250812.db2.gz QPXCKJHFDIPGIX-SSDOTTSWSA-N 0 0 168.240 2.536 10 0 AFAERN CCCCSCC1CCOCC1 308033870 346251250 /nfs/dbraw/zinc/25/12/50/346251250.db2.gz JTDPJDPBNXWURY-UHFFFAOYSA-N 0 0 188.336 2.946 10 0 AFAERN COC(=O)/C=C1\C[C@H](C)CC[C@H]1C 308037928 346251657 /nfs/dbraw/zinc/25/16/57/346251657.db2.gz WQVVQGJYIZHYJK-HYADTZSISA-N 0 0 182.263 2.542 10 0 AFAERN COC(=O)/C=C1\C[C@H](C)CC[C@@H]1C 308037929 346251820 /nfs/dbraw/zinc/25/18/20/346251820.db2.gz WQVVQGJYIZHYJK-LIHZAOSCSA-N 0 0 182.263 2.542 10 0 AFAERN Cc1cc(CSCCCF)no1 308073642 346253917 /nfs/dbraw/zinc/25/39/17/346253917.db2.gz BVYBNNFGWAKYKP-UHFFFAOYSA-N 0 0 189.255 2.576 10 0 AFAERN FCCCCS[C@H]1CCCOC1 308072068 346253918 /nfs/dbraw/zinc/25/39/18/346253918.db2.gz CJUREWZEXSSBKL-VIFPVBQESA-N 0 0 192.299 2.648 10 0 AFAERN FCCCSCCOCC1CC1 308075700 346254023 /nfs/dbraw/zinc/25/40/23/346254023.db2.gz FGULKDUXNVQSQX-UHFFFAOYSA-N 0 0 192.299 2.506 10 0 AFAERN FCCCCS[C@@H]1CCCOC1 308072067 346254151 /nfs/dbraw/zinc/25/41/51/346254151.db2.gz CJUREWZEXSSBKL-SECBINFHSA-N 0 0 192.299 2.648 10 0 AFAERN CC(C)(C)OCCSCC1CC1 308076584 346254679 /nfs/dbraw/zinc/25/46/79/346254679.db2.gz DMYZRWMRWRTLNJ-UHFFFAOYSA-N 0 0 188.336 2.945 10 0 AFAERN CSc1ccc(/C=C\[C@@H](C)O)cc1 308089025 346255276 /nfs/dbraw/zinc/25/52/76/346255276.db2.gz DPHUOCASSFWMBB-ZBJFTSOASA-N 0 0 194.299 2.803 10 0 AFAERN CSc1ccc(/C=C\[C@H](C)O)cc1 308089022 346255336 /nfs/dbraw/zinc/25/53/36/346255336.db2.gz DPHUOCASSFWMBB-TYRPZCRBSA-N 0 0 194.299 2.803 10 0 AFAERN FCCCSCC1CCOCC1 308093496 346255677 /nfs/dbraw/zinc/25/56/77/346255677.db2.gz WCRDTBPYTFWHFX-UHFFFAOYSA-N 0 0 192.299 2.506 10 0 AFAERN CCC[C@@H](NO)c1cccc(F)c1 308094677 346255722 /nfs/dbraw/zinc/25/57/22/346255722.db2.gz SJXYITHFSWRZBJ-SNVBAGLBSA-N 0 0 183.226 2.646 10 0 AFAERN CCC[C@@H](NO)c1cccc(C)c1 308098190 346255795 /nfs/dbraw/zinc/25/57/95/346255795.db2.gz ZAJFBEHAJJNELA-LLVKDONJSA-N 0 0 179.263 2.815 10 0 AFAERN CCC[C@@H](NO)c1ccc(F)cc1 308092310 346256010 /nfs/dbraw/zinc/25/60/10/346256010.db2.gz ONCKGGZADBYVCJ-SNVBAGLBSA-N 0 0 183.226 2.646 10 0 AFAERN C/C=C\CNc1c(F)cccc1F 308103453 346256337 /nfs/dbraw/zinc/25/63/37/346256337.db2.gz KOQDANVUQQZWMP-IHWYPQMZSA-N 0 0 183.201 2.953 10 0 AFAERN c1cc(CSCCC2CC2)on1 308099946 346256350 /nfs/dbraw/zinc/25/63/50/346256350.db2.gz FYEKCFRPTRGKPC-UHFFFAOYSA-N 0 0 183.276 2.708 10 0 AFAERN CCc1ccc(/C=C\[C@H](C)O)cc1 308108633 346256361 /nfs/dbraw/zinc/25/63/61/346256361.db2.gz XMBXFUZHDKQEES-LWTINBJPSA-N 0 0 176.259 2.643 10 0 AFAERN C/C=C\CNc1cccc(OC)c1 308100902 346256416 /nfs/dbraw/zinc/25/64/16/346256416.db2.gz DNHRKEGROHKKEX-ARJAWSKDSA-N 0 0 177.247 2.683 10 0 AFAERN CCc1ccc(/C=C\[C@@H](C)O)cc1 308108635 346256424 /nfs/dbraw/zinc/25/64/24/346256424.db2.gz XMBXFUZHDKQEES-UMCURTJPSA-N 0 0 176.259 2.643 10 0 AFAERN c1cc(CSCCC2CC2)no1 308103137 346256538 /nfs/dbraw/zinc/25/65/38/346256538.db2.gz GTGAAUQQEPHUMR-UHFFFAOYSA-N 0 0 183.276 2.708 10 0 AFAERN Cc1cccc(OC/C=C\Cl)c1N 308107381 346256726 /nfs/dbraw/zinc/25/67/26/346256726.db2.gz SGTVDTBQIVVMAV-UTCJRWHESA-N 0 0 197.665 2.709 10 0 AFAERN C1CC(SCCC2CC2)CCO1 308119715 346257127 /nfs/dbraw/zinc/25/71/27/346257127.db2.gz OJPLKUWEBWDAAB-UHFFFAOYSA-N 0 0 186.320 2.699 10 0 AFAERN C/C=C\COc1cc(C)cc(O)c1 308110704 346257135 /nfs/dbraw/zinc/25/71/35/346257135.db2.gz VMEHHJIWYVLFAF-ARJAWSKDSA-N 0 0 178.231 2.656 10 0 AFAERN C/C=C(\C)[C@H](O)c1ccc(F)cc1 308122528 346257640 /nfs/dbraw/zinc/25/76/40/346257640.db2.gz PCHXYMAMGFLVDP-AEBAWRHJSA-N 0 0 180.222 2.825 10 0 AFAERN C/C=C(\C)[C@@H](O)c1ccc(F)cc1 308122529 346257889 /nfs/dbraw/zinc/25/78/89/346257889.db2.gz PCHXYMAMGFLVDP-TXGYYHNKSA-N 0 0 180.222 2.825 10 0 AFAERN CC(C)CCSCCn1ccnc1 308133459 346258866 /nfs/dbraw/zinc/25/88/66/346258866.db2.gz CLMGTHJLCRYELC-UHFFFAOYSA-N 0 0 198.335 2.662 10 0 AFAERN COCCCCSCC1CCC1 308136423 346258889 /nfs/dbraw/zinc/25/88/89/346258889.db2.gz DPWUTQBBKXNAAZ-UHFFFAOYSA-N 0 0 188.336 2.946 10 0 AFAERN CC(=O)CSCc1ccc(C)cc1 308134461 346258896 /nfs/dbraw/zinc/25/88/96/346258896.db2.gz DJEVMJXUWGZYLN-UHFFFAOYSA-N 0 0 194.299 2.817 10 0 AFAERN C/C=C\COc1ccc(F)cc1F 308136235 346258957 /nfs/dbraw/zinc/25/89/57/346258957.db2.gz ILSPBRHUHNCUHZ-IHWYPQMZSA-N 0 0 184.185 2.920 10 0 AFAERN CCOCCCSCCCCF 308136471 346258996 /nfs/dbraw/zinc/25/89/96/346258996.db2.gz DUKLGYJOPWGAIN-UHFFFAOYSA-N 0 0 194.315 2.896 10 0 AFAERN CC(C)OC(=O)C[C@@H]1CC[C@@H](C)C1 308140070 346260029 /nfs/dbraw/zinc/26/00/29/346260029.db2.gz HWLGVASGOABLMA-NXEZZACHSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)OC(=O)C[C@H]1CC[C@@H](C)C1 308140076 346260148 /nfs/dbraw/zinc/26/01/48/346260148.db2.gz HWLGVASGOABLMA-ZJUUUORDSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)OC(=O)C[C@@H]1CC[C@H](C)C1 308140074 346260173 /nfs/dbraw/zinc/26/01/73/346260173.db2.gz HWLGVASGOABLMA-VHSXEESVSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)OC(=O)C[C@H]1CC[C@H](C)C1 308140072 346260182 /nfs/dbraw/zinc/26/01/82/346260182.db2.gz HWLGVASGOABLMA-UWVGGRQHSA-N 0 0 184.279 2.764 10 0 AFAERN Cc1cnn(CCSCC(C)C)c1 308144161 346260554 /nfs/dbraw/zinc/26/05/54/346260554.db2.gz KMFXTUROXXTKPS-UHFFFAOYSA-N 0 0 198.335 2.581 10 0 AFAERN CC(C)[C@@H](C)SCc1ncccn1 308146559 346261334 /nfs/dbraw/zinc/26/13/34/346261334.db2.gz LYRCJVJGYHSCJY-SECBINFHSA-N 0 0 196.319 2.754 10 0 AFAERN CC(C)[C@H](C)SCc1ncccn1 308146560 346261426 /nfs/dbraw/zinc/26/14/26/346261426.db2.gz LYRCJVJGYHSCJY-VIFPVBQESA-N 0 0 196.319 2.754 10 0 AFAERN CC/C(=C\CO)Cc1ccccc1 308148372 346261462 /nfs/dbraw/zinc/26/14/62/346261462.db2.gz FEVYEELVYJHWJQ-DHZHZOJOSA-N 0 0 176.259 2.558 10 0 AFAERN Cc1cc(C)cc(/C=C\CCO)c1 308150016 346261937 /nfs/dbraw/zinc/26/19/37/346261937.db2.gz GSIJCPIMXJRGIG-HYXAFXHYSA-N 0 0 176.259 2.699 10 0 AFAERN CC(C)CCSCc1cnn(C)c1 308156840 346262888 /nfs/dbraw/zinc/26/28/88/346262888.db2.gz RZJIOANNLHSPMU-UHFFFAOYSA-N 0 0 198.335 2.699 10 0 AFAERN Cc1cc(F)ccc1/C=C\CCO 308162390 346264154 /nfs/dbraw/zinc/26/41/54/346264154.db2.gz NMINYTIQJIKOKA-RQOWECAXSA-N 0 0 180.222 2.530 10 0 AFAERN CC(=O)CSCCc1ccccc1 308164386 346264598 /nfs/dbraw/zinc/26/45/98/346264598.db2.gz WSDQTUIOTBWHOQ-UHFFFAOYSA-N 0 0 194.299 2.551 10 0 AFAERN CCN(CCSC)c1ccccc1 308172812 346266010 /nfs/dbraw/zinc/26/60/10/346266010.db2.gz BXYVGDJQFXPLAZ-UHFFFAOYSA-N 0 0 195.331 2.876 10 0 AFAERN CCCCSCCn1cc(C)cn1 308209885 346269655 /nfs/dbraw/zinc/26/96/55/346269655.db2.gz FVKKVGXFXUFZMK-UHFFFAOYSA-N 0 0 198.335 2.725 10 0 AFAERN CCC[C@@H](NO)c1ccc(C)cc1 308205246 346269773 /nfs/dbraw/zinc/26/97/73/346269773.db2.gz HKVHIPSJCJTEON-LLVKDONJSA-N 0 0 179.263 2.815 10 0 AFAERN CCC[C@H](NO)c1ccc(C)cc1 308205247 346269912 /nfs/dbraw/zinc/26/99/12/346269912.db2.gz HKVHIPSJCJTEON-NSHDSACASA-N 0 0 179.263 2.815 10 0 AFAERN CCCSCCn1nc(C)cc1C 308210300 346270379 /nfs/dbraw/zinc/27/03/79/346270379.db2.gz GARVPHZUEOSPEF-UHFFFAOYSA-N 0 0 198.335 2.643 10 0 AFAERN CCCCSCc1cnc(C)nc1 308211667 346270489 /nfs/dbraw/zinc/27/04/89/346270489.db2.gz GSUMBJXZUBMUQJ-UHFFFAOYSA-N 0 0 196.319 2.818 10 0 AFAERN c1ccc(CCSCC2CC2)nc1 308216705 346271023 /nfs/dbraw/zinc/27/10/23/346271023.db2.gz AMBNRWKHTJVTOY-UHFFFAOYSA-N 0 0 193.315 2.767 10 0 AFAERN CCC[C@@H](NO)c1ccccc1C 308221976 346271785 /nfs/dbraw/zinc/27/17/85/346271785.db2.gz OORLRFOGRAJDFP-LLVKDONJSA-N 0 0 179.263 2.815 10 0 AFAERN CCC[C@H](NO)c1ccccc1C 308221978 346271850 /nfs/dbraw/zinc/27/18/50/346271850.db2.gz OORLRFOGRAJDFP-NSHDSACASA-N 0 0 179.263 2.815 10 0 AFAERN CCCCC(=O)N[C@H](CC)C(C)C 308229776 346272974 /nfs/dbraw/zinc/27/29/74/346272974.db2.gz OHGJVBCDTWKHAN-SNVBAGLBSA-N 0 0 185.311 2.727 10 0 AFAERN Cc1nccn1CCCSC(C)C 308231012 346272986 /nfs/dbraw/zinc/27/29/86/346272986.db2.gz GNYXYQGSXBMHTO-UHFFFAOYSA-N 0 0 198.335 2.723 10 0 AFAERN CCCCC(=O)N[C@@H](CC)C(C)C 308229775 346273015 /nfs/dbraw/zinc/27/30/15/346273015.db2.gz OHGJVBCDTWKHAN-JTQLQIEISA-N 0 0 185.311 2.727 10 0 AFAERN CCCC(=O)N(C)C1(C)CCCC1 308229290 346273145 /nfs/dbraw/zinc/27/31/45/346273145.db2.gz ODDUMDJQUBGPCN-UHFFFAOYSA-N 0 0 183.295 2.578 10 0 AFAERN CCC[C@H](NO)c1cccc(F)c1 308229881 346273311 /nfs/dbraw/zinc/27/33/11/346273311.db2.gz SJXYITHFSWRZBJ-JTQLQIEISA-N 0 0 183.226 2.646 10 0 AFAERN CCC[C@@H](NO)c1ccccc1F 308240897 346273625 /nfs/dbraw/zinc/27/36/25/346273625.db2.gz YIDDCNWQZAVSCN-SNVBAGLBSA-N 0 0 183.226 2.646 10 0 AFAERN CCC[C@H](NO)c1ccccc1F 308240893 346273808 /nfs/dbraw/zinc/27/38/08/346273808.db2.gz YIDDCNWQZAVSCN-JTQLQIEISA-N 0 0 183.226 2.646 10 0 AFAERN CCCCC(=O)NC(C)(CC)CC 308245925 346274759 /nfs/dbraw/zinc/27/47/59/346274759.db2.gz VRXFGHPMQSVNEN-UHFFFAOYSA-N 0 0 185.311 2.872 10 0 AFAERN FCCCSCCc1cccnc1 308248719 346275271 /nfs/dbraw/zinc/27/52/71/346275271.db2.gz ZYGBNMSNFCWVKC-UHFFFAOYSA-N 0 0 199.294 2.717 10 0 AFAERN CCCCSCc1cc(C)ncn1 308248031 346275385 /nfs/dbraw/zinc/27/53/85/346275385.db2.gz YRUVAMBIZXIFOE-UHFFFAOYSA-N 0 0 196.319 2.818 10 0 AFAERN CC(C)OCCSc1ccccn1 308250972 346275831 /nfs/dbraw/zinc/27/58/31/346275831.db2.gz HHQRHYCRDNHTQO-UHFFFAOYSA-N 0 0 197.303 2.599 10 0 AFAERN C/C=C\C[S@](=O)c1ccc(F)cc1 308250607 346275939 /nfs/dbraw/zinc/27/59/39/346275939.db2.gz AWZPWAJQJMNAAX-ZRMMWKCHSA-N 0 0 198.262 2.509 10 0 AFAERN CCSCCNc1cccnc1C 308251167 346275987 /nfs/dbraw/zinc/27/59/87/346275987.db2.gz FLNWYCSOJSYPGD-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN C/C=C\C[S@@](=O)c1ccc(F)cc1 308250602 346276025 /nfs/dbraw/zinc/27/60/25/346276025.db2.gz AWZPWAJQJMNAAX-XQJDBVBESA-N 0 0 198.262 2.509 10 0 AFAERN CCC(=O)N(C(C)C)C1CCCC1 308252933 346276920 /nfs/dbraw/zinc/27/69/20/346276920.db2.gz CEYFUKJWJZMVLM-UHFFFAOYSA-N 0 0 183.295 2.576 10 0 AFAERN Cc1sccc1CC(=O)OC(C)C 308264489 346278834 /nfs/dbraw/zinc/27/88/34/346278834.db2.gz PCICWRNSYVPRSB-UHFFFAOYSA-N 0 0 198.287 2.551 10 0 AFAERN CCSCCNc1cnccc1C 308270615 346279539 /nfs/dbraw/zinc/27/95/39/346279539.db2.gz RUAXQMWYHFWZFZ-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN CC[C@@H](C)CSCc1ccn(C)n1 308285287 346281321 /nfs/dbraw/zinc/28/13/21/346281321.db2.gz CZPMQTXDEWVSBF-SECBINFHSA-N 0 0 198.335 2.699 10 0 AFAERN CC[C@H](C)CSCc1ccn(C)n1 308285288 346281448 /nfs/dbraw/zinc/28/14/48/346281448.db2.gz CZPMQTXDEWVSBF-VIFPVBQESA-N 0 0 198.335 2.699 10 0 AFAERN CCSCCOc1ccc(C)nc1 308284803 346281632 /nfs/dbraw/zinc/28/16/32/346281632.db2.gz BGISNZWHARHEBZ-UHFFFAOYSA-N 0 0 197.303 2.522 10 0 AFAERN Cc1noc(/C=C2\CC[C@H](C)C2)n1 308287842 346281877 /nfs/dbraw/zinc/28/18/77/346281877.db2.gz ZWCPMRFQUQSUKN-QCCBYXMRSA-N 0 0 178.235 2.581 10 0 AFAERN CCC(C)(C)C(=O)N[C@@H](C)C(C)C 308288222 346281944 /nfs/dbraw/zinc/28/19/44/346281944.db2.gz FKYVJRAWMOPAHS-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN CCC(C)(C)C(=O)N[C@H](C)C(C)C 308288221 346281971 /nfs/dbraw/zinc/28/19/71/346281971.db2.gz FKYVJRAWMOPAHS-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN Cc1noc(/C=C2\CC[C@@H](C)C2)n1 308287843 346282193 /nfs/dbraw/zinc/28/21/93/346282193.db2.gz ZWCPMRFQUQSUKN-TUOMEMKJSA-N 0 0 178.235 2.581 10 0 AFAERN CC(C)OC(=O)CC1CC(C)(C)C1 308291889 346282637 /nfs/dbraw/zinc/28/26/37/346282637.db2.gz KNNGXRCXGUYDJL-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN C/C=C\C[S@](=O)c1ccccc1F 308290139 346282793 /nfs/dbraw/zinc/28/27/93/346282793.db2.gz GQJUKKVYPUCFFL-ZRMMWKCHSA-N 0 0 198.262 2.509 10 0 AFAERN CSCCCOc1cccc(C)n1 308292351 346282804 /nfs/dbraw/zinc/28/28/04/346282804.db2.gz FVXFAYBXWLXXSX-UHFFFAOYSA-N 0 0 197.303 2.522 10 0 AFAERN C/C=C\C[S@@](=O)c1ccccc1F 308290138 346282828 /nfs/dbraw/zinc/28/28/28/346282828.db2.gz GQJUKKVYPUCFFL-XQJDBVBESA-N 0 0 198.262 2.509 10 0 AFAERN CC[C@@H](C)CSCCn1cccn1 308289402 346282929 /nfs/dbraw/zinc/28/29/29/346282929.db2.gz GECQLOGKXMXDSL-SNVBAGLBSA-N 0 0 198.335 2.662 10 0 AFAERN CC[C@H](C)CSCCn1cccn1 308289401 346282956 /nfs/dbraw/zinc/28/29/56/346282956.db2.gz GECQLOGKXMXDSL-JTQLQIEISA-N 0 0 198.335 2.662 10 0 AFAERN CCc1nc(CCCOC)sc1C 308290677 346282985 /nfs/dbraw/zinc/28/29/85/346282985.db2.gz DQGLWLIGUNRJNO-UHFFFAOYSA-N 0 0 199.319 2.593 10 0 AFAERN C/C=C\C[S@](=O)c1cccc(C)c1 308292360 346283231 /nfs/dbraw/zinc/28/32/31/346283231.db2.gz HXWHXPDWYGQAJW-SCOBNMCVSA-N 0 0 194.299 2.679 10 0 AFAERN CSCCN(C)c1ccccc1F 308294441 346283244 /nfs/dbraw/zinc/28/32/44/346283244.db2.gz HGFXQTOKSVOXEO-UHFFFAOYSA-N 0 0 199.294 2.625 10 0 AFAERN CCOc1cccc(CSCC)n1 308292355 346283252 /nfs/dbraw/zinc/28/32/52/346283252.db2.gz FWDZVQOAAYNJKX-UHFFFAOYSA-N 0 0 197.303 2.733 10 0 AFAERN C/C=C\C[S@@](=O)c1cccc(C)c1 308292359 346283624 /nfs/dbraw/zinc/28/36/24/346283624.db2.gz HXWHXPDWYGQAJW-DHCBQETCSA-N 0 0 194.299 2.679 10 0 AFAERN CSCCCOc1ccc(C)cn1 308293574 346283738 /nfs/dbraw/zinc/28/37/38/346283738.db2.gz GPDMMRPVCBLWKT-UHFFFAOYSA-N 0 0 197.303 2.522 10 0 AFAERN C/C=C/CSCc1cc(C)ncn1 308310663 346286198 /nfs/dbraw/zinc/28/61/98/346286198.db2.gz RBZHCHGPGOYRLK-ONEGZZNKSA-N 0 0 194.303 2.594 10 0 AFAERN CC[C@H](C)CSCc1ncccn1 308314665 346286959 /nfs/dbraw/zinc/28/69/59/346286959.db2.gz UQZZTVVXUBNBQT-VIFPVBQESA-N 0 0 196.319 2.756 10 0 AFAERN C/C=C/CSCc1ccnc(C)n1 308314648 346287052 /nfs/dbraw/zinc/28/70/52/346287052.db2.gz UQTBKHZAFFOUIH-ONEGZZNKSA-N 0 0 194.303 2.594 10 0 AFAERN C/C=C\CSCc1ccnc(C)n1 308314646 346287122 /nfs/dbraw/zinc/28/71/22/346287122.db2.gz UQTBKHZAFFOUIH-ARJAWSKDSA-N 0 0 194.303 2.594 10 0 AFAERN C/C=C\C[S@](=O)Cc1ccccc1 308317793 346287567 /nfs/dbraw/zinc/28/75/67/346287567.db2.gz WRWGTTGESRWKIV-ZRMMWKCHSA-N 0 0 194.299 2.511 10 0 AFAERN C/C=C/C[S@](=O)Cc1ccccc1 308317789 346287593 /nfs/dbraw/zinc/28/75/93/346287593.db2.gz WRWGTTGESRWKIV-IBUXWKBASA-N 0 0 194.299 2.511 10 0 AFAERN C/C=C\C[S@@](=O)Cc1ccccc1 308317791 346287830 /nfs/dbraw/zinc/28/78/30/346287830.db2.gz WRWGTTGESRWKIV-XQJDBVBESA-N 0 0 194.299 2.511 10 0 AFAERN C/C=C/C[S@@](=O)Cc1ccccc1 308317792 346288030 /nfs/dbraw/zinc/28/80/30/346288030.db2.gz WRWGTTGESRWKIV-YWVDXFKGSA-N 0 0 194.299 2.511 10 0 AFAERN CSCCCOc1ccc(C)nc1 308320141 346288392 /nfs/dbraw/zinc/28/83/92/346288392.db2.gz ZYTIMTFIOAJGIM-UHFFFAOYSA-N 0 0 197.303 2.522 10 0 AFAERN C/C=C\CSCCc1cccnc1 308321481 346288419 /nfs/dbraw/zinc/28/84/19/346288419.db2.gz YZIMLAOVVHKZEU-IHWYPQMZSA-N 0 0 193.315 2.933 10 0 AFAERN C/C=C/CSCCc1cccnc1 308321756 346288541 /nfs/dbraw/zinc/28/85/41/346288541.db2.gz YZIMLAOVVHKZEU-NSCUHMNNSA-N 0 0 193.315 2.933 10 0 AFAERN CC(C)=CCSCc1cnn(C)c1 308324836 346289222 /nfs/dbraw/zinc/28/92/22/346289222.db2.gz DZLUITTWEHLYGD-UHFFFAOYSA-N 0 0 196.319 2.620 10 0 AFAERN CCSCCOc1cccc(C)n1 308323347 346289282 /nfs/dbraw/zinc/28/92/82/346289282.db2.gz CZHKXIWYYBWPKE-UHFFFAOYSA-N 0 0 197.303 2.522 10 0 AFAERN CC(C)=CCSCc1cncn1C 308327916 346289869 /nfs/dbraw/zinc/28/98/69/346289869.db2.gz ICLXWGNIFZODDA-UHFFFAOYSA-N 0 0 196.319 2.620 10 0 AFAERN CC(C)=CCSCCn1cccn1 308325782 346289970 /nfs/dbraw/zinc/28/99/70/346289970.db2.gz FTEYZDKRMGOLIR-UHFFFAOYSA-N 0 0 196.319 2.583 10 0 AFAERN CC/C(=C\[C@H](C)O)c1ccccc1F 308345794 346291440 /nfs/dbraw/zinc/29/14/40/346291440.db2.gz STWCZTSLEACGRQ-WKMLFNHBSA-N 0 0 194.249 3.000 10 0 AFAERN Cc1ccc(CSCCCF)nc1 308355017 346291468 /nfs/dbraw/zinc/29/14/68/346291468.db2.gz ASTLEWSBAGTCKK-UHFFFAOYSA-N 0 0 199.294 2.983 10 0 AFAERN C[C@@H](O)/C=C\c1coc2ccccc12 308344862 346291733 /nfs/dbraw/zinc/29/17/33/346291733.db2.gz QAZJDGZOSNMNCO-ATJFRQLMSA-N 0 0 188.226 2.827 10 0 AFAERN C[C@H](O)/C=C\c1coc2ccccc12 308344863 346291934 /nfs/dbraw/zinc/29/19/34/346291934.db2.gz QAZJDGZOSNMNCO-NMTCXDENSA-N 0 0 188.226 2.827 10 0 AFAERN CC/C(=C\[C@@H](C)O)c1ccccc1F 308345793 346291952 /nfs/dbraw/zinc/29/19/52/346291952.db2.gz STWCZTSLEACGRQ-NCXKZPMSSA-N 0 0 194.249 3.000 10 0 AFAERN CCC[C@H](NO)c1cccc(OC)c1 308365476 346293065 /nfs/dbraw/zinc/29/30/65/346293065.db2.gz NCTHUSBJHLEHPW-NSHDSACASA-N 0 0 195.262 2.515 10 0 AFAERN CCCc1noc(CCC(C)C)n1 308367725 346293126 /nfs/dbraw/zinc/29/31/26/346293126.db2.gz OVWYNTLIJFZICS-UHFFFAOYSA-N 0 0 182.267 2.611 10 0 AFAERN COC[C@@H](C)c1nc(C2CC2)cs1 308366121 346293144 /nfs/dbraw/zinc/29/31/44/346293144.db2.gz OCJMUYOVHDFBKA-SSDOTTSWSA-N 0 0 197.303 2.770 10 0 AFAERN COC[C@H](C)c1nc(C2CC2)cs1 308366124 346293240 /nfs/dbraw/zinc/29/32/40/346293240.db2.gz OCJMUYOVHDFBKA-ZETCQYMHSA-N 0 0 197.303 2.770 10 0 AFAERN CCOc1ccccc1[C@H](CC)NO 308368788 346293263 /nfs/dbraw/zinc/29/32/63/346293263.db2.gz UJHBHVFXFSFTAE-JTQLQIEISA-N 0 0 195.262 2.515 10 0 AFAERN CCC[C@@H](NO)c1ccccc1OC 308369961 346293765 /nfs/dbraw/zinc/29/37/65/346293765.db2.gz AUKLWIPEEPMSMQ-SNVBAGLBSA-N 0 0 195.262 2.515 10 0 AFAERN CCC[C@H](NO)c1ccc(F)c(C)c1 308373971 346293894 /nfs/dbraw/zinc/29/38/94/346293894.db2.gz IHFHQIPIKDLAGI-NSHDSACASA-N 0 0 197.253 2.954 10 0 AFAERN CCC[C@@H](NO)c1ccc(C)c(F)c1 308372488 346293899 /nfs/dbraw/zinc/29/38/99/346293899.db2.gz FYDBFYNQETVWGK-LLVKDONJSA-N 0 0 197.253 2.954 10 0 AFAERN CCC[C@H](NO)c1ccc(OC)cc1 308369955 346293909 /nfs/dbraw/zinc/29/39/09/346293909.db2.gz ASWJEPPTYFUBPE-NSHDSACASA-N 0 0 195.262 2.515 10 0 AFAERN CCCc1noc(CC(C)(C)C)n1 308368989 346294017 /nfs/dbraw/zinc/29/40/17/346294017.db2.gz PMCZVNVAAPPKCK-UHFFFAOYSA-N 0 0 182.267 2.611 10 0 AFAERN CCC[C@@H](NO)c1cc(C)ccc1F 308371945 346294046 /nfs/dbraw/zinc/29/40/46/346294046.db2.gz DZCHHAJPWIDDEO-LLVKDONJSA-N 0 0 197.253 2.954 10 0 AFAERN CCOc1ccc([C@@H](CC)NO)cc1 308383346 346295345 /nfs/dbraw/zinc/29/53/45/346295345.db2.gz ZOGBEHYJMJQPOM-LLVKDONJSA-N 0 0 195.262 2.515 10 0 AFAERN CCCC[C@@H](NO)c1cccc(O)c1 308380778 346295424 /nfs/dbraw/zinc/29/54/24/346295424.db2.gz UKCCEIHCRSKDGY-LLVKDONJSA-N 0 0 195.262 2.602 10 0 AFAERN CCOc1ccccc1[C@@H](CC)NO 308380775 346295529 /nfs/dbraw/zinc/29/55/29/346295529.db2.gz UJHBHVFXFSFTAE-SNVBAGLBSA-N 0 0 195.262 2.515 10 0 AFAERN C/C=C/C=C\c1nc(CCC)no1 308388201 346295791 /nfs/dbraw/zinc/29/57/91/346295791.db2.gz YIJPSTFMNJLIJY-GMWFMGJWSA-N 0 0 178.235 2.611 10 0 AFAERN CCC(CC)SCc1ncccn1 308388167 346295921 /nfs/dbraw/zinc/29/59/21/346295921.db2.gz YHIJOQFBOXAFSO-UHFFFAOYSA-N 0 0 196.319 2.898 10 0 AFAERN C/C=C/C=C/c1nc(CCC)no1 308388202 346296004 /nfs/dbraw/zinc/29/60/04/346296004.db2.gz YIJPSTFMNJLIJY-QFXXITGJSA-N 0 0 178.235 2.611 10 0 AFAERN COc1ccccc1CCCSC 308393052 346296467 /nfs/dbraw/zinc/29/64/67/346296467.db2.gz BYLXPUXSWYZXGU-UHFFFAOYSA-N 0 0 196.315 2.991 10 0 AFAERN CCCCCSCc1cncn1C 308396504 346297170 /nfs/dbraw/zinc/29/71/70/346297170.db2.gz DLKUUIQYUIOVED-UHFFFAOYSA-N 0 0 198.335 2.844 10 0 AFAERN CC/C=C(/C)c1nc(CCC)no1 308399519 346298135 /nfs/dbraw/zinc/29/81/35/346298135.db2.gz GJRQYBWCEPFCBK-VURMDHGXSA-N 0 0 180.251 2.835 10 0 AFAERN CC/C=C(\C)c1nc(CCC)no1 308399514 346298261 /nfs/dbraw/zinc/29/82/61/346298261.db2.gz GJRQYBWCEPFCBK-SOFGYWHQSA-N 0 0 180.251 2.835 10 0 AFAERN C/C(=C/c1cc(C)ccc1F)[C@H](C)O 308402329 346298293 /nfs/dbraw/zinc/29/82/93/346298293.db2.gz XJUQWVCFAQKQIB-RNKPRXRFSA-N 0 0 194.249 2.918 10 0 AFAERN C/C=C\COc1cc(C)c(N)cc1C 308403278 346298848 /nfs/dbraw/zinc/29/88/48/346298848.db2.gz DMNGMOMCSDGRMS-PLNGDYQASA-N 0 0 191.274 2.841 10 0 AFAERN C/C(=C/c1cc(C)ccc1F)[C@@H](C)O 308402331 346299043 /nfs/dbraw/zinc/29/90/43/346299043.db2.gz XJUQWVCFAQKQIB-UJICNMFASA-N 0 0 194.249 2.918 10 0 AFAERN C/C=C\COc1c(C)cc(C)cc1N 308408648 346299390 /nfs/dbraw/zinc/29/93/90/346299390.db2.gz ZJFAXMQHGFGFAS-PLNGDYQASA-N 0 0 191.274 2.841 10 0 AFAERN CCn1ccnc1CSCC1CC1 308405779 346299667 /nfs/dbraw/zinc/29/96/67/346299667.db2.gz JOABFMKZVHPYQC-UHFFFAOYSA-N 0 0 196.319 2.546 10 0 AFAERN CCCS[C@H](C)c1cnc(C)cn1 308425461 346301622 /nfs/dbraw/zinc/30/16/22/346301622.db2.gz QVUONJXVJGBHIJ-SECBINFHSA-N 0 0 196.319 2.989 10 0 AFAERN CCCS[C@@H](C)c1cnc(C)cn1 308425462 346301722 /nfs/dbraw/zinc/30/17/22/346301722.db2.gz QVUONJXVJGBHIJ-VIFPVBQESA-N 0 0 196.319 2.989 10 0 AFAERN CO[C@H](C)CSCc1ccccc1 308455419 346304300 /nfs/dbraw/zinc/30/43/00/346304300.db2.gz FVXDQEVZYVYIKP-SNVBAGLBSA-N 0 0 196.315 2.955 10 0 AFAERN COCCS[C@H](C)c1ccncc1 308453840 346304354 /nfs/dbraw/zinc/30/43/54/346304354.db2.gz FICDWOOUUUEMHU-SECBINFHSA-N 0 0 197.303 2.522 10 0 AFAERN CCCC(=O)c1cc(F)cc(OC)c1 308451619 346304568 /nfs/dbraw/zinc/30/45/68/346304568.db2.gz GHQYPZZPXCBZEN-UHFFFAOYSA-N 0 0 196.221 2.817 10 0 AFAERN CO[C@@H](C)CSCc1ccccc1 308455418 346304574 /nfs/dbraw/zinc/30/45/74/346304574.db2.gz FVXDQEVZYVYIKP-JTQLQIEISA-N 0 0 196.315 2.955 10 0 AFAERN COCCS[C@@H](C)c1ccncc1 308453842 346304733 /nfs/dbraw/zinc/30/47/33/346304733.db2.gz FICDWOOUUUEMHU-VIFPVBQESA-N 0 0 197.303 2.522 10 0 AFAERN C/C=C\CNc1cn(C)nc1C(C)C 308450723 346304765 /nfs/dbraw/zinc/30/47/65/346304765.db2.gz DLUGVQIYGWCAFM-WAYWQWQTSA-N 0 0 193.294 2.532 10 0 AFAERN CC[C@@H](NC(=O)CC(C)C)C(C)C 308471338 346306075 /nfs/dbraw/zinc/30/60/75/346306075.db2.gz KONPSJFWYOWPPO-SNVBAGLBSA-N 0 0 185.311 2.583 10 0 AFAERN CCCC[C@H](NO)c1ccc(O)cc1 308492225 346307571 /nfs/dbraw/zinc/30/75/71/346307571.db2.gz RZWPYIJYBJRCSB-NSHDSACASA-N 0 0 195.262 2.602 10 0 AFAERN CCCC(=O)N1C[C@@H](CC)CC[C@H]1C 308498842 346308252 /nfs/dbraw/zinc/30/82/52/346308252.db2.gz VAPXPSPFQLSHSL-MNOVXSKESA-N 0 0 197.322 2.824 10 0 AFAERN C/C=C\C[NH2+]Cc1ccc(F)c(C)c1 308505512 346308575 /nfs/dbraw/zinc/30/85/75/346308575.db2.gz ILSIQDHXKILVOQ-ARJAWSKDSA-N 0 0 193.265 2.800 10 0 AFAERN CC(C)(C)CCCNc1cccnn1 308505543 346308693 /nfs/dbraw/zinc/30/86/93/346308693.db2.gz INCHTPVYNBUAEO-UHFFFAOYSA-N 0 0 193.294 2.715 10 0 AFAERN C/C=C/C[NH2+]Cc1ccc(F)c(C)c1 308505513 346309153 /nfs/dbraw/zinc/30/91/53/346309153.db2.gz ILSIQDHXKILVOQ-ONEGZZNKSA-N 0 0 193.265 2.800 10 0 AFAERN CCC[C@@H](NO)c1ccc(OC)cc1 308524764 346310427 /nfs/dbraw/zinc/31/04/27/346310427.db2.gz ASWJEPPTYFUBPE-LLVKDONJSA-N 0 0 195.262 2.515 10 0 AFAERN CCC[C@H](NO)c1cc(C)ccc1F 308570765 346313096 /nfs/dbraw/zinc/31/30/96/346313096.db2.gz DZCHHAJPWIDDEO-NSHDSACASA-N 0 0 197.253 2.954 10 0 AFAERN CCC[C@@H](O)c1cc(C(C)=O)c(C)o1 308571229 346313112 /nfs/dbraw/zinc/31/31/12/346313112.db2.gz FBESMJVFRPMBGV-SNVBAGLBSA-N 0 0 196.246 2.624 10 0 AFAERN CCC[C@@H](NO)c1ccc(F)c(C)c1 308577658 346313140 /nfs/dbraw/zinc/31/31/40/346313140.db2.gz IHFHQIPIKDLAGI-LLVKDONJSA-N 0 0 197.253 2.954 10 0 AFAERN CCC[C@@H](NO)c1cc(F)ccc1C 308591130 346313472 /nfs/dbraw/zinc/31/34/72/346313472.db2.gz OZJQLCISWWFGLI-LLVKDONJSA-N 0 0 197.253 2.954 10 0 AFAERN CCC[C@@H](NO)c1cccc(OC)c1 308587982 346313578 /nfs/dbraw/zinc/31/35/78/346313578.db2.gz NCTHUSBJHLEHPW-LLVKDONJSA-N 0 0 195.262 2.515 10 0 AFAERN CCOc1cccc([C@H](CC)NO)c1 308594913 346314494 /nfs/dbraw/zinc/31/44/94/346314494.db2.gz RFWIYTHQOCYBON-NSHDSACASA-N 0 0 195.262 2.515 10 0 AFAERN CCOc1cccc([C@@H](CC)NO)c1 308594912 346314621 /nfs/dbraw/zinc/31/46/21/346314621.db2.gz RFWIYTHQOCYBON-LLVKDONJSA-N 0 0 195.262 2.515 10 0 AFAERN CC(=NNc1ccccc1)c1ccc[nH]1 308614446 346315251 /nfs/dbraw/zinc/31/52/51/346315251.db2.gz NTKOVQVUNHJXGB-GXDHUFHOSA-N 0 0 199.257 2.851 10 0 AFAERN CCOc1ccc([C@H](CC)NO)cc1 308614361 346315386 /nfs/dbraw/zinc/31/53/86/346315386.db2.gz ZOGBEHYJMJQPOM-NSHDSACASA-N 0 0 195.262 2.515 10 0 AFAERN COc1ccc([C@@H](O)C/C=C\F)cc1 308624943 346315445 /nfs/dbraw/zinc/31/54/45/346315445.db2.gz KAJOZNGHZDBYRT-BZCFKMEZSA-N 0 0 196.221 2.602 10 0 AFAERN COc1ccc([C@H](O)C/C=C\F)cc1 308624944 346315484 /nfs/dbraw/zinc/31/54/84/346315484.db2.gz KAJOZNGHZDBYRT-GPWUBDCCSA-N 0 0 196.221 2.602 10 0 AFAERN COc1cccnc1Cc1ccccc1 308958018 346320239 /nfs/dbraw/zinc/32/02/39/346320239.db2.gz ZWMNTFJERFRROC-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN CC(C)[C@@H](C)S[C@H](C)CCO 318702667 346322395 /nfs/dbraw/zinc/32/23/95/346322395.db2.gz DRCJUUGFXCVRIN-RKDXNWHRSA-N 0 0 176.325 2.535 10 0 AFAERN CC(C)[C@H](C)S[C@H](C)CCO 318702664 346322488 /nfs/dbraw/zinc/32/24/88/346322488.db2.gz DRCJUUGFXCVRIN-BDAKNGLRSA-N 0 0 176.325 2.535 10 0 AFAERN CC(C)[C@H](C)S[C@@H](C)CCO 318702666 346322666 /nfs/dbraw/zinc/32/26/66/346322666.db2.gz DRCJUUGFXCVRIN-IUCAKERBSA-N 0 0 176.325 2.535 10 0 AFAERN CC(C)[C@@H](C)S[C@@H](C)CCO 318702665 346322789 /nfs/dbraw/zinc/32/27/89/346322789.db2.gz DRCJUUGFXCVRIN-DTWKUNHWSA-N 0 0 176.325 2.535 10 0 AFAERN CC(C)[C@H](NC(=O)C(C)(C)C)C1CC1 324084399 346324389 /nfs/dbraw/zinc/32/43/89/346324389.db2.gz IAKANSYMKBKEBZ-JTQLQIEISA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)[C@@H](NC(=O)C(C)(C)C)C1CC1 324084401 346324409 /nfs/dbraw/zinc/32/44/09/346324409.db2.gz IAKANSYMKBKEBZ-SNVBAGLBSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@H]1C[C@H]1c1noc(CC2(C)CC2)n1 334146102 346327205 /nfs/dbraw/zinc/32/72/05/346327205.db2.gz BLLROHIFEJYXDE-JGVFFNPUSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@H]1C[C@H](C(=O)N(C)C)CC(C)(C)C1 334207667 346332103 /nfs/dbraw/zinc/33/21/03/346332103.db2.gz JQOZLFBXDWSSSG-UWVGGRQHSA-N 0 0 197.322 2.537 10 0 AFAERN C[C@H]1C[C@@H](C(=O)N(C)C)CC(C)(C)C1 334207668 346332183 /nfs/dbraw/zinc/33/21/83/346332183.db2.gz JQOZLFBXDWSSSG-VHSXEESVSA-N 0 0 197.322 2.537 10 0 AFAERN C[C@H](N(C)C(=O)C1=CCC1)C(C)(C)C 334214614 346332446 /nfs/dbraw/zinc/33/24/46/346332446.db2.gz DTNATJKFWHWRQX-VIFPVBQESA-N 0 0 195.306 2.600 10 0 AFAERN CC1CN(C(=O)C(C)(C)C(C)(C)C)C1 334229916 346333657 /nfs/dbraw/zinc/33/36/57/346333657.db2.gz IZVGWVARZKDTAR-UHFFFAOYSA-N 0 0 197.322 2.537 10 0 AFAERN CCC(C)(C)CC(=O)N1C[C@@H](C)[C@@H]1C 334246887 346334250 /nfs/dbraw/zinc/33/42/50/346334250.db2.gz VAUJHWBGLHYVBT-ZJUUUORDSA-N 0 0 197.322 2.680 10 0 AFAERN CCC(C)(C)CC(=O)N1C[C@H](C)[C@H]1C 334246882 346334686 /nfs/dbraw/zinc/33/46/86/346334686.db2.gz VAUJHWBGLHYVBT-VHSXEESVSA-N 0 0 197.322 2.680 10 0 AFAERN CC1CN(C(=O)[C@@H](C)CC(C)(C)C)C1 334274348 346337117 /nfs/dbraw/zinc/33/71/17/346337117.db2.gz LWJFXUINHMIJPL-JTQLQIEISA-N 0 0 197.322 2.537 10 0 AFAERN CC1CN(C(=O)[C@H](C)CC(C)(C)C)C1 334274748 346337298 /nfs/dbraw/zinc/33/72/98/346337298.db2.gz LWJFXUINHMIJPL-SNVBAGLBSA-N 0 0 197.322 2.537 10 0 AFAERN CCc1ccc2occ(C(N)=O)c2c1 334328104 346340317 /nfs/dbraw/zinc/34/03/17/346340317.db2.gz HUGNKVQSNXKKDU-UHFFFAOYSA-N 0 0 189.214 2.879 10 0 AFAERN CCCCC(=O)N1CCCCC[C@@H]1C 334326053 346340732 /nfs/dbraw/zinc/34/07/32/346340732.db2.gz LELZDTIOIJCFOU-NSHDSACASA-N 0 0 197.322 2.968 10 0 AFAERN CC[C@@H]1C[C@H](C)CN1C(=O)CC(C)C 334325234 346340878 /nfs/dbraw/zinc/34/08/78/346340878.db2.gz AQKOTIHJOHFXAL-WDEREUQCSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H]1C[C@@H](C)CN1C(=O)CC(C)C 334325227 346340943 /nfs/dbraw/zinc/34/09/43/346340943.db2.gz AQKOTIHJOHFXAL-MNOVXSKESA-N 0 0 197.322 2.680 10 0 AFAERN CCCCC(=O)N1CCCC12CCC2 334491258 346349930 /nfs/dbraw/zinc/34/99/30/346349930.db2.gz WFHATXGDKFRDOX-UHFFFAOYSA-N 0 0 195.306 2.722 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc(C2(C)CC2)no1 334519322 346351358 /nfs/dbraw/zinc/35/13/58/346351358.db2.gz FCXAUMKTBDEOEC-HTQZYQBOSA-N 0 0 192.262 2.635 10 0 AFAERN CC/C(C)=C/c1nc(C2(C)CC2)no1 334519264 346351776 /nfs/dbraw/zinc/35/17/76/346351776.db2.gz CVDPUJKLCQNLAZ-BQYQJAHWSA-N 0 0 192.262 2.934 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)Nc1ccsc1 334657817 346358948 /nfs/dbraw/zinc/35/89/48/346358948.db2.gz AXIPERIXPISLOX-VXNVDRBHSA-N 0 0 195.287 2.733 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc(C(C)(C)C)no1 334671293 346359700 /nfs/dbraw/zinc/35/97/00/346359700.db2.gz DMXQNTHNKZSJNF-HTQZYQBOSA-N 0 0 194.278 2.881 10 0 AFAERN CC[C@H](C(=O)NC)C1CCC(C)CC1 334668720 346359628 /nfs/dbraw/zinc/35/96/28/346359628.db2.gz GPRXYAHADZOZOF-ILDUYXDCSA-N 0 0 197.322 2.585 10 0 AFAERN CCCN(C)C(=O)C1=CC[C@H](C)CC1 334682956 346360427 /nfs/dbraw/zinc/36/04/27/346360427.db2.gz BRSDSMQLINEOMK-JTQLQIEISA-N 0 0 195.306 2.601 10 0 AFAERN Cc1cc(NC(C)C)cc(C(N)=O)c1 334678447 346360687 /nfs/dbraw/zinc/36/06/87/346360687.db2.gz BVTLYHDBBFXYIX-UHFFFAOYSA-N 0 0 192.262 2.699 10 0 AFAERN CCCN(C)C(=O)C1=CC[C@@H](C)CC1 334682957 346360786 /nfs/dbraw/zinc/36/07/86/346360786.db2.gz BRSDSMQLINEOMK-SNVBAGLBSA-N 0 0 195.306 2.601 10 0 AFAERN CCCC(=O)NC12CCC(CC1)CC2 334718815 346361410 /nfs/dbraw/zinc/36/14/10/346361410.db2.gz WHFUQLUEWMFYFB-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CCCN(C)c1nccc2occc12 334747108 346362602 /nfs/dbraw/zinc/36/26/02/346362602.db2.gz BHBNZJLXVGXVCZ-UHFFFAOYSA-N 0 0 190.246 2.674 10 0 AFAERN CC(C)c1noc([C@@H]2C[C@@H]2C(C)C)n1 334758584 346363205 /nfs/dbraw/zinc/36/32/05/346363205.db2.gz GEVBZTCKUFTFIW-RKDXNWHRSA-N 0 0 194.278 2.953 10 0 AFAERN CC(C)c1noc([C@H]2C[C@@H]2C(C)C)n1 334758581 346363273 /nfs/dbraw/zinc/36/32/73/346363273.db2.gz GEVBZTCKUFTFIW-BDAKNGLRSA-N 0 0 194.278 2.953 10 0 AFAERN CCC(C)(C)C(=O)N1CCC12CCC2 334762307 346363530 /nfs/dbraw/zinc/36/35/30/346363530.db2.gz KFRLAQFOZIXSDB-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@H](C)CC(=O)N1CCC12CCC2 334786905 346364074 /nfs/dbraw/zinc/36/40/74/346364074.db2.gz BEBXVCSDPUFCJU-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CCC1(c2nc(C3(C)CC3)no2)CC1 334883116 346369112 /nfs/dbraw/zinc/36/91/12/346369112.db2.gz WPCDSMPYFALVJV-UHFFFAOYSA-N 0 0 192.262 2.563 10 0 AFAERN C[C@H](c1nc(C2(C)CC2)no1)C1CC1 334881107 346369193 /nfs/dbraw/zinc/36/91/93/346369193.db2.gz IQEVSSSTGTXOQX-ZETCQYMHSA-N 0 0 192.262 2.635 10 0 AFAERN CC1(c2noc(C3=CCCC3)n2)CC1 334882698 346369219 /nfs/dbraw/zinc/36/92/19/346369219.db2.gz WCYGNPFEGBCVRC-UHFFFAOYSA-N 0 0 190.246 2.688 10 0 AFAERN CC1(c2noc(C3CC=CC3)n2)CC1 334891563 346369326 /nfs/dbraw/zinc/36/93/26/346369326.db2.gz PPEJPODLQJAUBO-UHFFFAOYSA-N 0 0 190.246 2.555 10 0 AFAERN CC[C@H](C)c1csc(N2CCC2)n1 334911113 346369907 /nfs/dbraw/zinc/36/99/07/346369907.db2.gz GRSXQMCJXMDJSW-QMMMGPOBSA-N 0 0 196.319 2.867 10 0 AFAERN CC[C@H]1CCCN1C(=O)CC1CCC1 334908546 346370073 /nfs/dbraw/zinc/37/00/73/346370073.db2.gz DNIUIQZXJXJULR-NSHDSACASA-N 0 0 195.306 2.578 10 0 AFAERN Cc1ccn([C@H]2CC[C@H](C)C2)c(=O)c1 334940023 346370536 /nfs/dbraw/zinc/37/05/36/346370536.db2.gz JVGQPVXIDLNUQG-ONGXEEELSA-N 0 0 191.274 2.518 10 0 AFAERN Cc1cccn([C@H]2CC[C@H](C)C2)c1=O 334938657 346370571 /nfs/dbraw/zinc/37/05/71/346370571.db2.gz DBMJZFDYWIUOJA-ONGXEEELSA-N 0 0 191.274 2.518 10 0 AFAERN Cc1ccn([C@H]2CC[C@@H](C)C2)c(=O)c1 334940021 346370682 /nfs/dbraw/zinc/37/06/82/346370682.db2.gz JVGQPVXIDLNUQG-KOLCDFICSA-N 0 0 191.274 2.518 10 0 AFAERN Cc1cccn([C@H]2CC[C@@H](C)C2)c1=O 334938655 346370732 /nfs/dbraw/zinc/37/07/32/346370732.db2.gz DBMJZFDYWIUOJA-KOLCDFICSA-N 0 0 191.274 2.518 10 0 AFAERN Cc1cccn([C@@H]2CC[C@H](C)C2)c1=O 334938651 346370742 /nfs/dbraw/zinc/37/07/42/346370742.db2.gz DBMJZFDYWIUOJA-GXSJLCMTSA-N 0 0 191.274 2.518 10 0 AFAERN Cc1cnn([C@H]2CC[C@@H](C)C2)c1 334951936 346371035 /nfs/dbraw/zinc/37/10/35/346371035.db2.gz UJBIPOYCAPAFCQ-SCZZXKLOSA-N 0 0 164.252 2.553 10 0 AFAERN Cc1cnn([C@@H]2CC[C@H](C)C2)c1 334951939 346371198 /nfs/dbraw/zinc/37/11/98/346371198.db2.gz UJBIPOYCAPAFCQ-WCBMZHEXSA-N 0 0 164.252 2.553 10 0 AFAERN Cc1cnn([C@@H]2CC[C@@H](C)C2)c1 334951934 346371229 /nfs/dbraw/zinc/37/12/29/346371229.db2.gz UJBIPOYCAPAFCQ-PSASIEDQSA-N 0 0 164.252 2.553 10 0 AFAERN Cc1cnn([C@H]2CC[C@H](C)C2)c1 334951941 346371434 /nfs/dbraw/zinc/37/14/34/346371434.db2.gz UJBIPOYCAPAFCQ-WPRPVWTQSA-N 0 0 164.252 2.553 10 0 AFAERN CCC(=O)N(C(C)C)C1CC(C)(C)C1 335093308 346377758 /nfs/dbraw/zinc/37/77/58/346377758.db2.gz WQCFLWDALJWNAP-UHFFFAOYSA-N 0 0 197.322 2.822 10 0 AFAERN CC(C)NC(=O)C1CC(C(C)(C)C)C1 335095026 346378443 /nfs/dbraw/zinc/37/84/43/346378443.db2.gz GHRBLHLQBJENKE-UHFFFAOYSA-N 0 0 197.322 2.583 10 0 AFAERN CCC1CN(C(=O)[C@@H](C)C(C)(C)C)C1 335108131 346378484 /nfs/dbraw/zinc/37/84/84/346378484.db2.gz GTNHKQUHCWVOEZ-SECBINFHSA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@H](C)C(=O)N1CC(C(C)(C)C)C1 335095663 346378618 /nfs/dbraw/zinc/37/86/18/346378618.db2.gz SBXIYPXNLSQAHI-VIFPVBQESA-N 0 0 197.322 2.537 10 0 AFAERN CCC1CN(C(=O)[C@H](C)C(C)(C)C)C1 335108132 346378744 /nfs/dbraw/zinc/37/87/44/346378744.db2.gz GTNHKQUHCWVOEZ-VIFPVBQESA-N 0 0 197.322 2.537 10 0 AFAERN C[C@H](C(=O)N[C@@H]1CC1(C)C)C(C)(C)C 335132496 346380177 /nfs/dbraw/zinc/38/01/77/346380177.db2.gz FXAKNWILTZWNLE-RKDXNWHRSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@H]1C[C@H]1c1noc(CC(C)(C)C)n1 335163215 346381690 /nfs/dbraw/zinc/38/16/90/346381690.db2.gz GVXQOYXCDUBKFJ-JGVFFNPUSA-N 0 0 194.278 2.782 10 0 AFAERN CC1(C)CC=C(C(N)=O)CC1 335184479 346382380 /nfs/dbraw/zinc/38/23/80/346382380.db2.gz BXAUPFAPFRZQEP-UHFFFAOYSA-N 0 0 153.225 2.658 10 0 AFAERN Cc1nccc(CSC2CCC2)n1 335232309 346383913 /nfs/dbraw/zinc/38/39/13/346383913.db2.gz QICLYQYTCGFCFZ-UHFFFAOYSA-N 0 0 194.303 2.571 10 0 AFAERN CCc1noc([C@H]2CCC[C@@H](F)C2)n1 335277747 346385601 /nfs/dbraw/zinc/38/56/01/346385601.db2.gz VMIXAQNTPQIZJX-JGVFFNPUSA-N 0 0 198.241 2.628 10 0 AFAERN CCc1noc([C@H]2CCC[C@H](F)C2)n1 335277749 346385670 /nfs/dbraw/zinc/38/56/70/346385670.db2.gz VMIXAQNTPQIZJX-YUMQZZPRSA-N 0 0 198.241 2.628 10 0 AFAERN CCc1noc([C@@H]2CCC[C@@H](F)C2)n1 335277746 346385770 /nfs/dbraw/zinc/38/57/70/346385770.db2.gz VMIXAQNTPQIZJX-HTQZYQBOSA-N 0 0 198.241 2.628 10 0 AFAERN CCc1noc([C@@H]2CCC[C@H](F)C2)n1 335277748 346385825 /nfs/dbraw/zinc/38/58/25/346385825.db2.gz VMIXAQNTPQIZJX-SFYZADRCSA-N 0 0 198.241 2.628 10 0 AFAERN CCCC(=O)NC1CCC2(CC1)CC2 335295581 346387567 /nfs/dbraw/zinc/38/75/67/346387567.db2.gz YHOIGNMCXPBQTM-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN Cc1nc(C)n([C@H]2CCC(C)(C)C2)n1 335301941 346388300 /nfs/dbraw/zinc/38/83/00/346388300.db2.gz XEKJOHCZEREFKK-JTQLQIEISA-N 0 0 193.294 2.646 10 0 AFAERN CC1(C)CC[C@H](n2ccccc2=O)C1 335299214 346388341 /nfs/dbraw/zinc/38/83/41/346388341.db2.gz GMHBAYJDLWKUSH-JTQLQIEISA-N 0 0 191.274 2.600 10 0 AFAERN CC1(C)CC[C@H](n2cccn2)C1 335301621 346388549 /nfs/dbraw/zinc/38/85/49/346388549.db2.gz YPEXZQSRZPGVHI-VIFPVBQESA-N 0 0 164.252 2.634 10 0 AFAERN CC1(C)CC[C@@H](n2ccccc2=O)C1 335299215 346388576 /nfs/dbraw/zinc/38/85/76/346388576.db2.gz GMHBAYJDLWKUSH-SNVBAGLBSA-N 0 0 191.274 2.600 10 0 AFAERN CCC(C)(C)N(C)C(=O)C1CC=CC1 335331855 346389869 /nfs/dbraw/zinc/38/98/69/346389869.db2.gz AOUJKPVBVCDMLX-UHFFFAOYSA-N 0 0 195.306 2.600 10 0 AFAERN CCCCC(=O)N1CC(C)=C[C@H](C)C1 335333499 346389877 /nfs/dbraw/zinc/38/98/77/346389877.db2.gz IZKWRTWUEAYKGK-JTQLQIEISA-N 0 0 195.306 2.601 10 0 AFAERN Cc1nc(C2CCCCCC2)no1 335343037 346390747 /nfs/dbraw/zinc/39/07/47/346390747.db2.gz CZXMXTLQOPGJCN-UHFFFAOYSA-N 0 0 180.251 2.816 10 0 AFAERN CCCC1(C(=O)N2[C@@H](C)C[C@H]2C)CC1 335338650 346390882 /nfs/dbraw/zinc/39/08/82/346390882.db2.gz DJFLNORDKZVJHT-AOOOYVTPSA-N 0 0 195.306 2.576 10 0 AFAERN CCCC1(C(=O)N2[C@H](C)C[C@H]2C)CC1 335338651 346391075 /nfs/dbraw/zinc/39/10/75/346391075.db2.gz DJFLNORDKZVJHT-NXEZZACHSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@]1(F)CCCN(Cc2ccco2)C1 335357523 346392329 /nfs/dbraw/zinc/39/23/29/346392329.db2.gz FCYXXPSZPBSHOF-NSHDSACASA-N 0 0 197.253 2.604 10 0 AFAERN C[C@@]1(F)CCCN(Cc2ccco2)C1 335357521 346392336 /nfs/dbraw/zinc/39/23/36/346392336.db2.gz FCYXXPSZPBSHOF-LLVKDONJSA-N 0 0 197.253 2.604 10 0 AFAERN CN(C(=O)C1=CCCCC1)C(C)(C)C 335440954 346396932 /nfs/dbraw/zinc/39/69/32/346396932.db2.gz DFUDGESSPQVRQJ-UHFFFAOYSA-N 0 0 195.306 2.744 10 0 AFAERN CC(C)[C@H]1C[C@@H]1C(=O)N(C)C(C)(C)C 335441793 346397333 /nfs/dbraw/zinc/39/73/33/346397333.db2.gz KZVVJOHPZOQOBP-ZJUUUORDSA-N 0 0 197.322 2.535 10 0 AFAERN CC(C)[C@@H]1C[C@H]1C(=O)N(C)C(C)(C)C 335441792 346397631 /nfs/dbraw/zinc/39/76/31/346397631.db2.gz KZVVJOHPZOQOBP-VHSXEESVSA-N 0 0 197.322 2.535 10 0 AFAERN CC(C)[C@@H]1C[C@@H]1C(=O)N(C)C(C)(C)C 335441791 346397816 /nfs/dbraw/zinc/39/78/16/346397816.db2.gz KZVVJOHPZOQOBP-UWVGGRQHSA-N 0 0 197.322 2.535 10 0 AFAERN CC(C)[C@H]1C[C@H]1C(=O)N(C)C(C)(C)C 335441790 346397859 /nfs/dbraw/zinc/39/78/59/346397859.db2.gz KZVVJOHPZOQOBP-NXEZZACHSA-N 0 0 197.322 2.535 10 0 AFAERN CC[C@H]1CCN1C(=O)[C@H](C)C(C)(C)C 335452679 346398245 /nfs/dbraw/zinc/39/82/45/346398245.db2.gz VBGLCOWUJNXDKP-UWVGGRQHSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H]1CCN1C(=O)[C@@H](C)C(C)(C)C 335452681 346398465 /nfs/dbraw/zinc/39/84/65/346398465.db2.gz VBGLCOWUJNXDKP-ZJUUUORDSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H]1CCN1C(=O)[C@@H](C)C(C)(C)C 335452678 346398552 /nfs/dbraw/zinc/39/85/52/346398552.db2.gz VBGLCOWUJNXDKP-NXEZZACHSA-N 0 0 197.322 2.680 10 0 AFAERN C[C@H](OC1CCCCCC1)C(N)=O 335452784 346398654 /nfs/dbraw/zinc/39/86/54/346398654.db2.gz DTAFJTAAWCGSRK-QMMMGPOBSA-N 0 0 185.267 2.650 10 0 AFAERN CC[C@H]1CCN1C(=O)C1(C)CCCC1 335451094 346398829 /nfs/dbraw/zinc/39/88/29/346398829.db2.gz DQXRXEISUHPNDY-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@H]1CCN1C(=O)C(C)(C)C(C)C 335458799 346399064 /nfs/dbraw/zinc/39/90/64/346399064.db2.gz XPBLGCKEBAHUMF-JTQLQIEISA-N 0 0 197.322 2.680 10 0 AFAERN CC1(c2noc(C3CCCC3)n2)CC1 335458695 346399090 /nfs/dbraw/zinc/39/90/90/346399090.db2.gz JIXYNDACKOZQRT-UHFFFAOYSA-N 0 0 192.262 2.779 10 0 AFAERN CC[C@H](C)c1nc(C2(C)CC2)no1 335457576 346399118 /nfs/dbraw/zinc/39/91/18/346399118.db2.gz GVOXOMROAQSROM-ZETCQYMHSA-N 0 0 180.251 2.635 10 0 AFAERN CC/C=C(/C)c1nc(C2(C)CC2)no1 335459855 346399168 /nfs/dbraw/zinc/39/91/68/346399168.db2.gz VXPWEQIMJXUAPA-YVMONPNESA-N 0 0 192.262 2.934 10 0 AFAERN CC1(C)CC[C@@H](SCC(N)=O)C1 335478843 346399682 /nfs/dbraw/zinc/39/96/82/346399682.db2.gz OTBAABDDOAGHKO-SSDOTTSWSA-N 0 0 187.308 2.834 10 0 AFAERN CC1(C)CC[C@H](SCC(N)=O)C1 335478844 346399865 /nfs/dbraw/zinc/39/98/65/346399865.db2.gz OTBAABDDOAGHKO-ZETCQYMHSA-N 0 0 187.308 2.834 10 0 AFAERN Cc1ccc(C2CC2)c(C(N)=O)c1 335512202 346401522 /nfs/dbraw/zinc/40/15/22/346401522.db2.gz GVELBZQZSNHKFF-UHFFFAOYSA-N 0 0 175.231 2.756 10 0 AFAERN CCCCC(=O)N1CC[C@@H](C)C[C@H]1C 335542152 346403898 /nfs/dbraw/zinc/40/38/98/346403898.db2.gz CCUMJXCTNLWURG-GHMZBOCLSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCC(=O)N1CCCC1(C)C 335574248 346406495 /nfs/dbraw/zinc/40/64/95/346406495.db2.gz VIFMDTAHEOWLPP-UHFFFAOYSA-N 0 0 183.295 2.578 10 0 AFAERN C[C@H](CO)S[C@H]1CCC(C)(C)C1 335654626 346411301 /nfs/dbraw/zinc/41/13/01/346411301.db2.gz WYHRQNVHEKZHBR-BDAKNGLRSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@H](CO)S[C@@H]1CCC(C)(C)C1 335654629 346411591 /nfs/dbraw/zinc/41/15/91/346411591.db2.gz WYHRQNVHEKZHBR-RKDXNWHRSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)c1noc([C@H]2C[C@H]2C2CC2)n1 335658737 346412248 /nfs/dbraw/zinc/41/22/48/346412248.db2.gz BKDZPXGXZAMMPR-IUCAKERBSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)c1noc([C@@H]2C[C@@H]2C2CC2)n1 335658740 346412306 /nfs/dbraw/zinc/41/23/06/346412306.db2.gz BKDZPXGXZAMMPR-RKDXNWHRSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)c1noc([C@@H]2C[C@H]2C2CC2)n1 335658735 346412344 /nfs/dbraw/zinc/41/23/44/346412344.db2.gz BKDZPXGXZAMMPR-DTWKUNHWSA-N 0 0 192.262 2.707 10 0 AFAERN CC1(CC(=O)NC(C)(C)C)CCCC1 335666806 346412435 /nfs/dbraw/zinc/41/24/35/346412435.db2.gz KXFQYIHVVFWANI-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@H](C)C(=O)N1CCCCC[C@H]1C 335671258 346412939 /nfs/dbraw/zinc/41/29/39/346412939.db2.gz UQPVKNCMMGEMEN-WDEREUQCSA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H](C)C(=O)N1CCCCC[C@@H]1C 335671257 346412951 /nfs/dbraw/zinc/41/29/51/346412951.db2.gz UQPVKNCMMGEMEN-QWRGUYRKSA-N 0 0 197.322 2.824 10 0 AFAERN CC1(C)CC(CC(=O)NC(C)(C)C)C1 335709744 346415798 /nfs/dbraw/zinc/41/57/98/346415798.db2.gz PVUFAOHQKBLIOD-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CCCN(C)C(=O)[C@@H]1CCCC1(C)C 335734369 346417194 /nfs/dbraw/zinc/41/71/94/346417194.db2.gz HXYFWFRJFOHJET-JTQLQIEISA-N 0 0 197.322 2.681 10 0 AFAERN CN(C(=O)CC1(C)CCCC1)C1CC1 335757475 346418378 /nfs/dbraw/zinc/41/83/78/346418378.db2.gz RNZGUKBMPZBQLF-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CCC1(NC(=O)C2CCCC2)CCC1 335757571 346418636 /nfs/dbraw/zinc/41/86/36/346418636.db2.gz SALUTALNEAOUQJ-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN C[C@H]1C[C@H](C)N1C(=O)C1(C)CCCC1 335783004 346419245 /nfs/dbraw/zinc/41/92/45/346419245.db2.gz LRRWIDQCVRYHPO-UWVGGRQHSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)C1(C)CCCC1 335783002 346419292 /nfs/dbraw/zinc/41/92/92/346419292.db2.gz LRRWIDQCVRYHPO-AOOOYVTPSA-N 0 0 195.306 2.576 10 0 AFAERN CC(C)[C@@H](C)C(=O)N1CCCC1(C)C 335799555 346420154 /nfs/dbraw/zinc/42/01/54/346420154.db2.gz JGORODVYSOEGSI-SNVBAGLBSA-N 0 0 197.322 2.680 10 0 AFAERN C[C@H]1C[C@H](C)N1C(=O)CCC(C)(C)C 335792382 346420206 /nfs/dbraw/zinc/42/02/06/346420206.db2.gz NJTUXSZETGNOEW-UWVGGRQHSA-N 0 0 197.322 2.822 10 0 AFAERN CC(C)[C@H](C)C(=O)N1CCCC1(C)C 335799554 346420297 /nfs/dbraw/zinc/42/02/97/346420297.db2.gz JGORODVYSOEGSI-JTQLQIEISA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)C(=O)N(C)C1(C)CCCC1 335818101 346421814 /nfs/dbraw/zinc/42/18/14/346421814.db2.gz MFSNDBRUNZIOBG-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H]1CCN1C(=O)CC1CCCC1 335820435 346421888 /nfs/dbraw/zinc/42/18/88/346421888.db2.gz MJGLQAAZPXRRFM-NSHDSACASA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@@H]1CCN1C(=O)CC1CCCC1 335820434 346421908 /nfs/dbraw/zinc/42/19/08/346421908.db2.gz MJGLQAAZPXRRFM-LLVKDONJSA-N 0 0 195.306 2.578 10 0 AFAERN CCC(CC)C(=O)N1CCCC1(C)C 335861979 346425064 /nfs/dbraw/zinc/42/50/64/346425064.db2.gz PZRABVKNSRRNCL-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN C[C@H]1C[C@H](C)N1C(=O)CC1CCCC1 335878630 346425621 /nfs/dbraw/zinc/42/56/21/346425621.db2.gz ITRQRWCTNHRKIT-UWVGGRQHSA-N 0 0 195.306 2.576 10 0 AFAERN CC1(NC(=O)C2=CCC2)CCCCC1 335910904 346426720 /nfs/dbraw/zinc/42/67/20/346426720.db2.gz VKNAYOYSWQDVAF-UHFFFAOYSA-N 0 0 193.290 2.546 10 0 AFAERN Cc1cccc(NC(=O)C2=CCC2)c1 335909892 346427121 /nfs/dbraw/zinc/42/71/21/346427121.db2.gz UMBOZJXVFZRZDB-UHFFFAOYSA-N 0 0 187.242 2.654 10 0 AFAERN CCc1cc(C)c(-c2nc(C)no2)o1 335946449 346429373 /nfs/dbraw/zinc/42/93/73/346429373.db2.gz PPJPOZZBOWPPET-UHFFFAOYSA-N 0 0 192.218 2.509 10 0 AFAERN CCc1oc(-c2nc(C)no2)cc1C 335947048 346429741 /nfs/dbraw/zinc/42/97/41/346429741.db2.gz OOULVAGCNDALBO-UHFFFAOYSA-N 0 0 192.218 2.509 10 0 AFAERN CC[C@H](C)N(C)C(=O)C1=CCCCC1 336015803 346433373 /nfs/dbraw/zinc/43/33/73/346433373.db2.gz CDDDKDWKSFBCFN-JTQLQIEISA-N 0 0 195.306 2.744 10 0 AFAERN CC1(c2nc([C@@H]3CC3(C)C)no2)CC1 336012860 346433545 /nfs/dbraw/zinc/43/35/45/346433545.db2.gz RQHFWUVUKXRLSY-ZETCQYMHSA-N 0 0 192.262 2.635 10 0 AFAERN CC1(c2nc([C@H]3CC3(C)C)no2)CC1 336012859 346433645 /nfs/dbraw/zinc/43/36/45/346433645.db2.gz RQHFWUVUKXRLSY-SSDOTTSWSA-N 0 0 192.262 2.635 10 0 AFAERN CCC1(NC(=O)C2=CCCC2)CCC1 336050809 346435607 /nfs/dbraw/zinc/43/56/07/346435607.db2.gz IUICOECUDQEZSC-UHFFFAOYSA-N 0 0 193.290 2.546 10 0 AFAERN C[C@H]1C[C@H](C)N1C(=O)C1CCCCC1 336064807 346436739 /nfs/dbraw/zinc/43/67/39/346436739.db2.gz IGJJLSXZFCFOKB-UWVGGRQHSA-N 0 0 195.306 2.576 10 0 AFAERN CCC(C)(C)CC(=O)N1[C@@H](C)C[C@H]1C 336066315 346436843 /nfs/dbraw/zinc/43/68/43/346436843.db2.gz LNRJXQSPMOLJOL-AOOOYVTPSA-N 0 0 197.322 2.822 10 0 AFAERN CC[C@H](C)C(=O)N1CC[C@H](C(C)C)C1 336176140 346442331 /nfs/dbraw/zinc/44/23/31/346442331.db2.gz AQMHZECMZDJTON-QWRGUYRKSA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@H](C)C(=O)N1CC[C@@H](C(C)C)C1 336176141 346442460 /nfs/dbraw/zinc/44/24/60/346442460.db2.gz AQMHZECMZDJTON-WDEREUQCSA-N 0 0 197.322 2.537 10 0 AFAERN CC1(C)CCCN1C(=O)CC1CCC1 336188233 346443352 /nfs/dbraw/zinc/44/33/52/346443352.db2.gz ZFUGPVNGVAKWCK-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN Cc1nccn1CC1=CCCCC1 336194132 346443768 /nfs/dbraw/zinc/44/37/68/346443768.db2.gz ZACNTLUPDGTQCD-UHFFFAOYSA-N 0 0 176.263 2.692 10 0 AFAERN C[C@H]1CCCCCN1C(=O)C1(C)CC1 336225153 346446048 /nfs/dbraw/zinc/44/60/48/346446048.db2.gz UCRQVJPNPCMGNF-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN Cc1cc2occ(C(N)=O)c2cc1C 336223975 346446354 /nfs/dbraw/zinc/44/63/54/346446354.db2.gz BUOWYMABJCZSOH-UHFFFAOYSA-N 0 0 189.214 2.933 10 0 AFAERN CCCN(C)C(=O)[C@@]1(C)CC=CCC1 336245673 346448040 /nfs/dbraw/zinc/44/80/40/346448040.db2.gz CRLAFJVTFVSYFS-LBPRGKRZSA-N 0 0 195.306 2.601 10 0 AFAERN CC1(CSc2cccnn2)CCC1 336269715 346450553 /nfs/dbraw/zinc/45/05/53/346450553.db2.gz DEEWCNNLQKMRHT-UHFFFAOYSA-N 0 0 194.303 2.759 10 0 AFAERN Cc1cnc(CSC2CCC2)nc1 336271785 346450669 /nfs/dbraw/zinc/45/06/69/346450669.db2.gz VIAMPEIVTDTVMH-UHFFFAOYSA-N 0 0 194.303 2.571 10 0 AFAERN Cc1ncc(CSC2CCC2)cn1 336271641 346450798 /nfs/dbraw/zinc/45/07/98/346450798.db2.gz HDAFWVLESGNMGJ-UHFFFAOYSA-N 0 0 194.303 2.571 10 0 AFAERN Cc1cc(CSC2CCC2)ncn1 336271705 346451089 /nfs/dbraw/zinc/45/10/89/346451089.db2.gz MJRWDFCZODYORZ-UHFFFAOYSA-N 0 0 194.303 2.571 10 0 AFAERN CCC1(NC(=O)C2=CCC2)CCCC1 336283226 346452193 /nfs/dbraw/zinc/45/21/93/346452193.db2.gz PMJXSDJTDANNSU-UHFFFAOYSA-N 0 0 193.290 2.546 10 0 AFAERN CCC1(c2nc([C@@H]3C[C@H]3C)no2)CC1 336401482 346460699 /nfs/dbraw/zinc/46/06/99/346460699.db2.gz BMZPRQZYWJEACO-HTQZYQBOSA-N 0 0 192.262 2.635 10 0 AFAERN CCCCC(=O)N1C[C@H](C)CC[C@H]1C 336401770 346460729 /nfs/dbraw/zinc/46/07/29/346460729.db2.gz LGXWXEDBCJEUHG-GHMZBOCLSA-N 0 0 197.322 2.824 10 0 AFAERN CCC1(c2nc([C@@H]3C[C@@H]3C)no2)CC1 336401483 346461008 /nfs/dbraw/zinc/46/10/08/346461008.db2.gz BMZPRQZYWJEACO-JGVFFNPUSA-N 0 0 192.262 2.635 10 0 AFAERN CCC1(c2nc([C@H]3C[C@H]3C)no2)CC1 336401484 346461075 /nfs/dbraw/zinc/46/10/75/346461075.db2.gz BMZPRQZYWJEACO-SFYZADRCSA-N 0 0 192.262 2.635 10 0 AFAERN CCCCC(=O)N1C[C@@H](C)CC[C@@H]1C 336401772 346461318 /nfs/dbraw/zinc/46/13/18/346461318.db2.gz LGXWXEDBCJEUHG-QWRGUYRKSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCC(=O)N1C[C@@H](C)CC[C@H]1C 336401773 346461290 /nfs/dbraw/zinc/46/12/90/346461290.db2.gz LGXWXEDBCJEUHG-WDEREUQCSA-N 0 0 197.322 2.824 10 0 AFAERN CCC1(c2nc([C@H]3C[C@@H]3C)no2)CC1 336401485 346461299 /nfs/dbraw/zinc/46/12/99/346461299.db2.gz BMZPRQZYWJEACO-YUMQZZPRSA-N 0 0 192.262 2.635 10 0 AFAERN CC(C)[C@H]1C[C@H]1c1nc(C2CC2)no1 336428461 346462592 /nfs/dbraw/zinc/46/25/92/346462592.db2.gz SEGMATLGMNHWOB-RKDXNWHRSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)[C@@H]1C[C@@H]1c1nc(C2CC2)no1 336428460 346462600 /nfs/dbraw/zinc/46/26/00/346462600.db2.gz SEGMATLGMNHWOB-IUCAKERBSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)[C@H]1C[C@@H]1c1nc(C2CC2)no1 336428458 346462641 /nfs/dbraw/zinc/46/26/41/346462641.db2.gz SEGMATLGMNHWOB-BDAKNGLRSA-N 0 0 192.262 2.707 10 0 AFAERN CCC(=O)N1CCC[C@H]1CC(C)(C)C 336435638 346462924 /nfs/dbraw/zinc/46/29/24/346462924.db2.gz AEWWQFKPTWMJOS-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)[C@@H]1C[C@H]1c1nc(C2CC2)no1 336428459 346463107 /nfs/dbraw/zinc/46/31/07/346463107.db2.gz SEGMATLGMNHWOB-DTWKUNHWSA-N 0 0 192.262 2.707 10 0 AFAERN CCC(C)(C)c1nc([C@H]2C[C@H]2C)no1 336446362 346463262 /nfs/dbraw/zinc/46/32/62/346463262.db2.gz VPICPPIFYRCVHU-SFYZADRCSA-N 0 0 194.278 2.881 10 0 AFAERN CCC(C)(C)c1nc([C@H]2C[C@@H]2C)no1 336446363 346463342 /nfs/dbraw/zinc/46/33/42/346463342.db2.gz VPICPPIFYRCVHU-YUMQZZPRSA-N 0 0 194.278 2.881 10 0 AFAERN C[C@H]1C[C@H]1c1noc(CC2CCC2)n1 336475007 346465378 /nfs/dbraw/zinc/46/53/78/346465378.db2.gz FUWCKAWGTRLGSO-IONNQARKSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@H]1[C@H](C)CN1C(=O)CCC(C)(C)C 336484548 346466320 /nfs/dbraw/zinc/46/63/20/346466320.db2.gz IITUBXJSHAWTOD-ZJUUUORDSA-N 0 0 197.322 2.680 10 0 AFAERN C[C@H]1CN(C(=O)CCC(C)(C)C)[C@H]1C 336484546 346466565 /nfs/dbraw/zinc/46/65/65/346466565.db2.gz IITUBXJSHAWTOD-UWVGGRQHSA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)[C@@H](C)N(C)C(=O)C1=CCCC1 336501367 346467774 /nfs/dbraw/zinc/46/77/74/346467774.db2.gz AXYCNAXJWXQPNT-SNVBAGLBSA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)[C@H](C)N(C)C(=O)C1=CCCC1 336501366 346468261 /nfs/dbraw/zinc/46/82/61/346468261.db2.gz AXYCNAXJWXQPNT-JTQLQIEISA-N 0 0 195.306 2.600 10 0 AFAERN CCC(=O)N1CCC[C@@H]1C(C)(C)CC 336505673 346468336 /nfs/dbraw/zinc/46/83/36/346468336.db2.gz ANBPFESDFGFYFR-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN CCC(=O)N1CCC[C@H]1C(C)(C)CC 336505672 346468432 /nfs/dbraw/zinc/46/84/32/346468432.db2.gz ANBPFESDFGFYFR-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CCC(=O)N(C)c1cc(C)ccc1C 336555276 346474066 /nfs/dbraw/zinc/47/40/66/346474066.db2.gz CISWYSREEQNWAY-UHFFFAOYSA-N 0 0 191.274 2.676 10 0 AFAERN CCC(CC)C(=O)N1CCC12CCC2 336566350 346476238 /nfs/dbraw/zinc/47/62/38/346476238.db2.gz BWPIXOPNQGTTMW-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CC1(CC(=O)N2CCCC2(C)C)CC1 336584869 346476792 /nfs/dbraw/zinc/47/67/92/346476792.db2.gz IPHHZDKOMZUBKZ-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN Cc1ccc(NC(=O)C2=CCC2)cc1 336621367 346479404 /nfs/dbraw/zinc/47/94/04/346479404.db2.gz QYGITBZSFXLFDQ-UHFFFAOYSA-N 0 0 187.242 2.654 10 0 AFAERN CCCCCc1nc(CCC)no1 349604639 346481635 /nfs/dbraw/zinc/48/16/35/346481635.db2.gz TXAHJTWRRLSGSI-UHFFFAOYSA-N 0 0 182.267 2.755 10 0 AFAERN CCCc1noc(CC2CCCC2)n1 349817003 346482228 /nfs/dbraw/zinc/48/22/28/346482228.db2.gz BJTQZXSIRZCZQG-UHFFFAOYSA-N 0 0 194.278 2.755 10 0 AFAERN CO[C@@H]1CCC[C@H]1SCC1CC1 378856648 346485067 /nfs/dbraw/zinc/48/50/67/346485067.db2.gz KVWRXXAHVZBCTP-NXEZZACHSA-N 0 0 186.320 2.697 10 0 AFAERN CCOCCS[C@@H]1CC[C@@H](C)C1 378862568 346485086 /nfs/dbraw/zinc/48/50/86/346485086.db2.gz TYPZZNFDZLKVTR-NXEZZACHSA-N 0 0 188.336 2.945 10 0 AFAERN CO[C@H]1CCC[C@H]1SCC1CC1 378856650 346485098 /nfs/dbraw/zinc/48/50/98/346485098.db2.gz KVWRXXAHVZBCTP-VHSXEESVSA-N 0 0 186.320 2.697 10 0 AFAERN Clc1ccc(C=Nn2cccc2)o1 378850924 346485172 /nfs/dbraw/zinc/48/51/72/346485172.db2.gz FIAUMHQDEGYPQQ-UHFFFAOYSA-N 0 0 194.621 2.617 10 0 AFAERN CO[C@H]1CCC[C@@H]1SCC1CC1 378856649 346485197 /nfs/dbraw/zinc/48/51/97/346485197.db2.gz KVWRXXAHVZBCTP-UWVGGRQHSA-N 0 0 186.320 2.697 10 0 AFAERN CCOCCS[C@H]1CC[C@@H](C)C1 378862571 346485229 /nfs/dbraw/zinc/48/52/29/346485229.db2.gz TYPZZNFDZLKVTR-ZJUUUORDSA-N 0 0 188.336 2.945 10 0 AFAERN CO[C@@H]1CCC[C@@H]1SCC1CC1 378856651 346485434 /nfs/dbraw/zinc/48/54/34/346485434.db2.gz KVWRXXAHVZBCTP-ZJUUUORDSA-N 0 0 186.320 2.697 10 0 AFAERN CCOCCS[C@@H]1CC[C@H](C)C1 378862570 346485539 /nfs/dbraw/zinc/48/55/39/346485539.db2.gz TYPZZNFDZLKVTR-VHSXEESVSA-N 0 0 188.336 2.945 10 0 AFAERN CCOCCS[C@H]1CC[C@H](C)C1 378862569 346485544 /nfs/dbraw/zinc/48/55/44/346485544.db2.gz TYPZZNFDZLKVTR-UWVGGRQHSA-N 0 0 188.336 2.945 10 0 AFAERN C/C=C\C(=O)c1sccc1C 379076653 346489458 /nfs/dbraw/zinc/48/94/58/346489458.db2.gz KOFILEYTIQETFM-ARJAWSKDSA-N 0 0 166.245 2.815 10 0 AFAERN CCC(=O)CC/C(C)=C\Cl 378972820 346487533 /nfs/dbraw/zinc/48/75/33/346487533.db2.gz LXGFXVXDSBRTAH-SREVYHEPSA-N 0 0 160.644 2.888 10 0 AFAERN C/C=C(/CC)C(=O)C(C)C 378963956 346487881 /nfs/dbraw/zinc/48/78/81/346487881.db2.gz MLNPAKISZYARNE-YVMONPNESA-N 0 0 140.226 2.568 10 0 AFAERN CC(=O)/C(C)=C\C1CCCC1 379044429 346488306 /nfs/dbraw/zinc/48/83/06/346488306.db2.gz ICCSWBGHBRJJFO-FPLPWBNLSA-N 0 0 152.237 2.712 10 0 AFAERN C/C=C(/CC)C(=O)C(C)(C)C 379077691 346489238 /nfs/dbraw/zinc/48/92/38/346489238.db2.gz PVOKBBZSPDHJDQ-VURMDHGXSA-N 0 0 154.253 2.958 10 0 AFAERN C/C=C(/CC)C(=O)C1CCC1 379076415 346489272 /nfs/dbraw/zinc/48/92/72/346489272.db2.gz JTMAIUKPEUWEIT-BAQGIRSFSA-N 0 0 152.237 2.712 10 0 AFAERN CCCSCC[C@H]1CCCO1 379216915 346489794 /nfs/dbraw/zinc/48/97/94/346489794.db2.gz HTUVOTMSJYMOBI-SECBINFHSA-N 0 0 174.309 2.699 10 0 AFAERN CCCSCC[C@@H]1CCCO1 379216916 346489858 /nfs/dbraw/zinc/48/98/58/346489858.db2.gz HTUVOTMSJYMOBI-VIFPVBQESA-N 0 0 174.309 2.699 10 0 AFAERN CC(C)SCCOCC1CC1 379212045 346490099 /nfs/dbraw/zinc/49/00/99/346490099.db2.gz FJAUKVRUGOKDDX-UHFFFAOYSA-N 0 0 174.309 2.555 10 0 AFAERN CCOCCSCC=C(C)C 379217274 346490246 /nfs/dbraw/zinc/49/02/46/346490246.db2.gz HXTYROGKRYLMPO-UHFFFAOYSA-N 0 0 174.309 2.722 10 0 AFAERN CCOCCSCC(C)(C)C 379250760 346490581 /nfs/dbraw/zinc/49/05/81/346490581.db2.gz FELQLJDPDSWJKB-UHFFFAOYSA-N 0 0 176.325 2.802 10 0 AFAERN C/C=C\CCNc1ccnc(F)c1 379286281 346491144 /nfs/dbraw/zinc/49/11/44/346491144.db2.gz JIZODFGIPKLKOH-IHWYPQMZSA-N 0 0 180.226 2.599 10 0 AFAERN FCCCSCc1ccco1 379284333 346491275 /nfs/dbraw/zinc/49/12/75/346491275.db2.gz FZZORPYHKNXIKP-UHFFFAOYSA-N 0 0 174.240 2.872 10 0 AFAERN COCCCCSCC1CC1 379278793 346491291 /nfs/dbraw/zinc/49/12/91/346491291.db2.gz BOLLOJGKXKLJBU-UHFFFAOYSA-N 0 0 174.309 2.556 10 0 AFAERN CCOCCSCCCCF 379284143 346491396 /nfs/dbraw/zinc/49/13/96/346491396.db2.gz FVSARAUJUCDODM-UHFFFAOYSA-N 0 0 180.288 2.506 10 0 AFAERN C/C=C\COc1cc(Cl)ccc1N 379286797 346491439 /nfs/dbraw/zinc/49/14/39/346491439.db2.gz VDHKZQAIGIOQRE-IHWYPQMZSA-N 0 0 197.665 2.877 10 0 AFAERN CCCCSCc1ccon1 379285497 346491543 /nfs/dbraw/zinc/49/15/43/346491543.db2.gz GRGWMDHZHDUOGV-UHFFFAOYSA-N 0 0 171.265 2.708 10 0 AFAERN C/C=C\CSCC[C@H]1CCCO1 379310989 346491926 /nfs/dbraw/zinc/49/19/26/346491926.db2.gz FCNNYMFSNFAZIH-MXQLGCADSA-N 0 0 186.320 2.865 10 0 AFAERN C/C=C/CSCC[C@@H]1CCCO1 379310990 346491956 /nfs/dbraw/zinc/49/19/56/346491956.db2.gz FCNNYMFSNFAZIH-PBKGFPTLSA-N 0 0 186.320 2.865 10 0 AFAERN C/C=C/CSCCOCC(F)F 379311021 346491993 /nfs/dbraw/zinc/49/19/93/346491993.db2.gz FOLGPMSZIRNJNY-NSCUHMNNSA-N 0 0 196.262 2.577 10 0 AFAERN C/C=C\CSCC[C@@H]1CCCO1 379310992 346492008 /nfs/dbraw/zinc/49/20/08/346492008.db2.gz FCNNYMFSNFAZIH-ZMWSMAPVSA-N 0 0 186.320 2.865 10 0 AFAERN C/C=C\CSCCOCC(F)F 379311020 346492079 /nfs/dbraw/zinc/49/20/79/346492079.db2.gz FOLGPMSZIRNJNY-IHWYPQMZSA-N 0 0 196.262 2.577 10 0 AFAERN C/C=C/CSCC[C@H]1CCCO1 379310991 346492211 /nfs/dbraw/zinc/49/22/11/346492211.db2.gz FCNNYMFSNFAZIH-VMZHVLLKSA-N 0 0 186.320 2.865 10 0 AFAERN CC(=O)/C=C1/CC(C)(C)C[C@@H]1C 379311921 346492735 /nfs/dbraw/zinc/49/27/35/346492735.db2.gz SNUNLLZXXXFJBS-AMAGOZFHSA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)/C=C1/CC(C)(C)C[C@H]1C 379311922 346492748 /nfs/dbraw/zinc/49/27/48/346492748.db2.gz SNUNLLZXXXFJBS-VUMIPSPVSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)OCCCSCCCF 379313540 346493410 /nfs/dbraw/zinc/49/34/10/346493410.db2.gz IEZOVJCUGPSOSG-UHFFFAOYSA-N 0 0 194.315 2.894 10 0 AFAERN CCCC1(C(=O)OC(C)C)CC1 379315058 346493653 /nfs/dbraw/zinc/49/36/53/346493653.db2.gz AFACEOWECIYWDR-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN CC(C)SCCc1cccnc1 379315347 346493965 /nfs/dbraw/zinc/49/39/65/346493965.db2.gz AVGDHZGVQYDQRU-UHFFFAOYSA-N 0 0 181.304 2.766 10 0 AFAERN CC(C)CSCCOC1CCC1 379316676 346494433 /nfs/dbraw/zinc/49/44/33/346494433.db2.gz BNFDROKIJJECJC-UHFFFAOYSA-N 0 0 188.336 2.945 10 0 AFAERN CCCSC[C@@H]1CCO[C@H](C)C1 379320102 346495558 /nfs/dbraw/zinc/49/55/58/346495558.db2.gz URGZLUVNWUHNTP-NXEZZACHSA-N 0 0 188.336 2.945 10 0 AFAERN CCCSC[C@H]1CCO[C@H](C)C1 379320105 346495767 /nfs/dbraw/zinc/49/57/67/346495767.db2.gz URGZLUVNWUHNTP-ZJUUUORDSA-N 0 0 188.336 2.945 10 0 AFAERN CCCSC[C@H]1CCO[C@@H](C)C1 379320103 346495838 /nfs/dbraw/zinc/49/58/38/346495838.db2.gz URGZLUVNWUHNTP-UWVGGRQHSA-N 0 0 188.336 2.945 10 0 AFAERN CCCSC[C@@H]1CCO[C@@H](C)C1 379320104 346495904 /nfs/dbraw/zinc/49/59/04/346495904.db2.gz URGZLUVNWUHNTP-VHSXEESVSA-N 0 0 188.336 2.945 10 0 AFAERN CC(C)CCSCc1ccno1 379321658 346496251 /nfs/dbraw/zinc/49/62/51/346496251.db2.gz DJEMBRYRKCYBRI-UHFFFAOYSA-N 0 0 185.292 2.954 10 0 AFAERN COC[C@@H](C)SCCCCCF 379326043 346497349 /nfs/dbraw/zinc/49/73/49/346497349.db2.gz FZWDVOFHLVKULO-SECBINFHSA-N 0 0 194.315 2.894 10 0 AFAERN FCCCSC[C@@H]1CCCCO1 379326080 346497402 /nfs/dbraw/zinc/49/74/02/346497402.db2.gz GELSMDMNUKMXIC-VIFPVBQESA-N 0 0 192.299 2.648 10 0 AFAERN COC[C@H](C)SCCCCCF 379326044 346497482 /nfs/dbraw/zinc/49/74/82/346497482.db2.gz FZWDVOFHLVKULO-VIFPVBQESA-N 0 0 194.315 2.894 10 0 AFAERN FCCCSC[C@H]1CCCCO1 379326079 346497663 /nfs/dbraw/zinc/49/76/63/346497663.db2.gz GELSMDMNUKMXIC-SECBINFHSA-N 0 0 192.299 2.648 10 0 AFAERN CCSCCCC1CCOCC1 379330367 346499356 /nfs/dbraw/zinc/49/93/56/346499356.db2.gz AWKYUKXBUQZVSR-UHFFFAOYSA-N 0 0 188.336 2.946 10 0 AFAERN CSCCCSc1ccccn1 379331527 346499745 /nfs/dbraw/zinc/49/97/45/346499745.db2.gz DSBMFXTYMZIRLD-UHFFFAOYSA-N 0 0 199.344 2.927 10 0 AFAERN FCCCCSC[C@H]1CCOC1 379331257 346499812 /nfs/dbraw/zinc/49/98/12/346499812.db2.gz CIZKTPQXDMXWTM-VIFPVBQESA-N 0 0 192.299 2.506 10 0 AFAERN CCC(CC)Sc1cccnn1 379330612 346499933 /nfs/dbraw/zinc/49/99/33/346499933.db2.gz XRXABGORJUUEEI-UHFFFAOYSA-N 0 0 182.292 2.757 10 0 AFAERN FCCCCSC[C@@H]1CCOC1 379331255 346500081 /nfs/dbraw/zinc/50/00/81/346500081.db2.gz CIZKTPQXDMXWTM-SECBINFHSA-N 0 0 192.299 2.506 10 0 AFAERN CCCCSc1ncc(C)cn1 379332845 346500865 /nfs/dbraw/zinc/50/08/65/346500865.db2.gz IEGCOVJIZCAZFU-UHFFFAOYSA-N 0 0 182.292 2.677 10 0 AFAERN COC(C)(C)CCSCCCF 379334200 346501313 /nfs/dbraw/zinc/50/13/13/346501313.db2.gz NRMJDEUSEKHYJO-UHFFFAOYSA-N 0 0 194.315 2.894 10 0 AFAERN FCCCCSC1CCOCC1 379333993 346501325 /nfs/dbraw/zinc/50/13/25/346501325.db2.gz LDJSJEKGUOPXAN-UHFFFAOYSA-N 0 0 192.299 2.648 10 0 AFAERN CCCCC[S@@](=O)C[C@@H](C)CC 379338227 346502857 /nfs/dbraw/zinc/50/28/57/346502857.db2.gz GGKLWHINRRPAIV-CMPLNLGQSA-N 0 0 190.352 2.971 10 0 AFAERN CCCCC[S@@](=O)C[C@H](C)CC 379338230 346502941 /nfs/dbraw/zinc/50/29/41/346502941.db2.gz GGKLWHINRRPAIV-ZYHUDNBSSA-N 0 0 190.352 2.971 10 0 AFAERN CCCCC[S@](=O)C[C@H](C)CC 379338229 346502953 /nfs/dbraw/zinc/50/29/53/346502953.db2.gz GGKLWHINRRPAIV-PWSUYJOCSA-N 0 0 190.352 2.971 10 0 AFAERN CCCCC[S@](=O)C[C@@H](C)CC 379338228 346503045 /nfs/dbraw/zinc/50/30/45/346503045.db2.gz GGKLWHINRRPAIV-JQWIXIFHSA-N 0 0 190.352 2.971 10 0 AFAERN CC/C=C\C(=O)c1cncc(C)c1 379342063 346503522 /nfs/dbraw/zinc/50/35/22/346503522.db2.gz BOMQWILASYPETE-PLNGDYQASA-N 0 0 175.231 2.539 10 0 AFAERN C/C(=C\CCC=O)CCCC(C)(C)O 379341281 346503616 /nfs/dbraw/zinc/50/36/16/346503616.db2.gz IVCJGAUQMMORNE-YRNVUSSQSA-N 0 0 198.306 2.853 10 0 AFAERN CC[C@H](C)C(=O)N[C@@H](CC)C(C)C 379356887 346505615 /nfs/dbraw/zinc/50/56/15/346505615.db2.gz PSBVVAVFZBMXRY-UWVGGRQHSA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@@H](C)C(=O)N[C@H](CC)C(C)C 379356886 346505628 /nfs/dbraw/zinc/50/56/28/346505628.db2.gz PSBVVAVFZBMXRY-NXEZZACHSA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@H](NC(=O)[C@H](C)CC)C(C)C 379356889 346505722 /nfs/dbraw/zinc/50/57/22/346505722.db2.gz PSBVVAVFZBMXRY-ZJUUUORDSA-N 0 0 185.311 2.583 10 0 AFAERN CCN(C)N=Cc1ccccc1Cl 379356483 346505840 /nfs/dbraw/zinc/50/58/40/346505840.db2.gz OFENSUTXPXXZFD-UHFFFAOYSA-N 0 0 196.681 2.626 10 0 AFAERN CC(C)(C)CSCc1ncccn1 379378912 346510010 /nfs/dbraw/zinc/51/00/10/346510010.db2.gz AZUAALBXABISFU-UHFFFAOYSA-N 0 0 196.319 2.756 10 0 AFAERN CCSCCNc1cncc(C)c1 379379287 346510106 /nfs/dbraw/zinc/51/01/06/346510106.db2.gz AYBMNAJRGNALIM-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN CCCCSCCn1ccnc1C 379380504 346510637 /nfs/dbraw/zinc/51/06/37/346510637.db2.gz DWTJDRFXQGSVBL-UHFFFAOYSA-N 0 0 198.335 2.725 10 0 AFAERN CC(C)CCSCc1ncccn1 379382354 346511160 /nfs/dbraw/zinc/51/11/60/346511160.db2.gz DYGSPDOVMPXOFU-UHFFFAOYSA-N 0 0 196.319 2.756 10 0 AFAERN COC1CC(SCc2ccco2)C1 379382716 346511247 /nfs/dbraw/zinc/51/12/47/346511247.db2.gz FMNRVODFBNAWFL-UHFFFAOYSA-N 0 0 198.287 2.690 10 0 AFAERN CC(C)CCSCCn1cccn1 379383476 346511445 /nfs/dbraw/zinc/51/14/45/346511445.db2.gz GFWODMAVXWYFTG-UHFFFAOYSA-N 0 0 198.335 2.662 10 0 AFAERN CCCSCc1ncnn1C(C)C 379382142 346511588 /nfs/dbraw/zinc/51/15/88/346511588.db2.gz IBQUWVQMITYVMI-UHFFFAOYSA-N 0 0 199.323 2.502 10 0 AFAERN Cc1ccc(CC(=O)OC(C)C)s1 379384533 346512109 /nfs/dbraw/zinc/51/21/09/346512109.db2.gz OQFOEILAYIKVCT-UHFFFAOYSA-N 0 0 198.287 2.551 10 0 AFAERN C/C=C\CSCc1nccn1CC 379387590 346512869 /nfs/dbraw/zinc/51/28/69/346512869.db2.gz HTNKEBOLHKRRCW-HYXAFXHYSA-N 0 0 196.319 2.712 10 0 AFAERN C/C=C/CSCc1nccn1CC 379387589 346512878 /nfs/dbraw/zinc/51/28/78/346512878.db2.gz HTNKEBOLHKRRCW-HWKANZROSA-N 0 0 196.319 2.712 10 0 AFAERN CCCCSCc1nccn1CC 379396139 346515925 /nfs/dbraw/zinc/51/59/25/346515925.db2.gz DIDJAOQVJBXYSX-UHFFFAOYSA-N 0 0 198.335 2.936 10 0 AFAERN CC(C)=CCSCc1ccn(C)n1 379396832 346515931 /nfs/dbraw/zinc/51/59/31/346515931.db2.gz DAZSULSNCXSFTG-UHFFFAOYSA-N 0 0 196.319 2.620 10 0 AFAERN CC(C)=CCSCCn1ccnc1 379396637 346516017 /nfs/dbraw/zinc/51/60/17/346516017.db2.gz CWKSXADUXDHGQK-UHFFFAOYSA-N 0 0 196.319 2.583 10 0 AFAERN CCCCCSCc1ccn(C)n1 379405247 346519172 /nfs/dbraw/zinc/51/91/72/346519172.db2.gz SVIKVVGTMVORGD-UHFFFAOYSA-N 0 0 198.335 2.844 10 0 AFAERN COC[C@H](C)SCc1ccccc1 379408394 346519648 /nfs/dbraw/zinc/51/96/48/346519648.db2.gz AWEJYZDSHPANMD-JTQLQIEISA-N 0 0 196.315 2.955 10 0 AFAERN COC[C@@H](C)SCc1ccccc1 379408395 346520055 /nfs/dbraw/zinc/52/00/55/346520055.db2.gz AWEJYZDSHPANMD-SNVBAGLBSA-N 0 0 196.315 2.955 10 0 AFAERN C/C=C/CSCCc1ccccn1 379409951 346520582 /nfs/dbraw/zinc/52/05/82/346520582.db2.gz FBDCZOVWXGHKME-NSCUHMNNSA-N 0 0 193.315 2.933 10 0 AFAERN CCCSCc1noc(C2CC2)n1 379409920 346520791 /nfs/dbraw/zinc/52/07/91/346520791.db2.gz DYFODZLDFTYEAM-UHFFFAOYSA-N 0 0 198.291 2.590 10 0 AFAERN C/C=C\CSCCc1ccccn1 379409950 346520873 /nfs/dbraw/zinc/52/08/73/346520873.db2.gz FBDCZOVWXGHKME-IHWYPQMZSA-N 0 0 193.315 2.933 10 0 AFAERN C/C=C\COc1c(C)cccc1C#N 379486941 346523369 /nfs/dbraw/zinc/52/33/69/346523369.db2.gz JTUZXPCENDHFNZ-ARJAWSKDSA-N 0 0 187.242 2.822 10 0 AFAERN C/C=C\CCNc1c(N)cccc1F 379490012 346523643 /nfs/dbraw/zinc/52/36/43/346523643.db2.gz ORZGBNIDLJWLQK-IHWYPQMZSA-N 0 0 194.253 2.786 10 0 AFAERN CC(=O)/C=C(\C)c1cccc(F)c1F 379497086 346524143 /nfs/dbraw/zinc/52/41/43/346524143.db2.gz FEPFQQOGUJVJMH-VOTSOKGWSA-N 0 0 196.196 2.957 10 0 AFAERN CCCC(=O)c1ccccc1N(C)C 379586159 346525832 /nfs/dbraw/zinc/52/58/32/346525832.db2.gz QOBIYDLQNKRGTD-UHFFFAOYSA-N 0 0 191.274 2.735 10 0 AFAERN C/C=C\C(=O)c1ccc(F)cc1OC 379600535 346527243 /nfs/dbraw/zinc/52/72/43/346527243.db2.gz KYPOOEORVSXZEY-ARJAWSKDSA-N 0 0 194.205 2.593 10 0 AFAERN C/C=C\C(=O)c1cc(F)cc(OC)c1 381640257 346529752 /nfs/dbraw/zinc/52/97/52/346529752.db2.gz KFPICAMAZXWNRI-ARJAWSKDSA-N 0 0 194.205 2.593 10 0 AFAERN CC=CC(=O)Cc1ccc(F)cc1F 381631326 346530044 /nfs/dbraw/zinc/53/00/44/346530044.db2.gz YMFPIZCKJFBFCN-IHWYPQMZSA-N 0 0 196.196 2.653 10 0 AFAERN FCCCCSCc1ccno1 382036339 346531941 /nfs/dbraw/zinc/53/19/41/346531941.db2.gz TZCJUJXRSGFJCK-UHFFFAOYSA-N 0 0 189.255 2.658 10 0 AFAERN CCCCC[C@H]1CC[C@H](C(N)=O)CC1 382008493 346531964 /nfs/dbraw/zinc/53/19/64/346531964.db2.gz KFDGFDAXZKRBJW-XYPYZODXSA-N 0 0 197.322 2.858 10 0 AFAERN C/C(=C/[C@]1(C)CCCS1)[C@H](C)O 382338395 346534704 /nfs/dbraw/zinc/53/47/04/346534704.db2.gz YSJNMFALYGUVET-OWSSEVEYSA-N 0 0 186.320 2.599 10 0 AFAERN C/C(=C/[C@]1(C)CCCS1)[C@@H](C)O 382338391 346534707 /nfs/dbraw/zinc/53/47/07/346534707.db2.gz YSJNMFALYGUVET-LKMPMBSTSA-N 0 0 186.320 2.599 10 0 AFAERN C/C=C\CNc1ccc2c(c1)CCO2 383589113 346536561 /nfs/dbraw/zinc/53/65/61/346536561.db2.gz QRDKGXNSPMKFQX-IHWYPQMZSA-N 0 0 189.258 2.610 10 0 AFAERN CCCCCCNC(C)=CC(C)=O 383507232 346536906 /nfs/dbraw/zinc/53/69/06/346536906.db2.gz HWHOMNGNGBIKAO-MDZDMXLPSA-N 0 0 183.295 2.649 10 0 AFAERN C/C=C\CNc1cc(C)c(F)cc1N 384745495 346538498 /nfs/dbraw/zinc/53/84/98/346538498.db2.gz MUDPWGSTQSOEPI-ARJAWSKDSA-N 0 0 194.253 2.704 10 0 AFAERN C/C=C\CNc1ccsc1[N+](=O)[O-] 384997345 346541581 /nfs/dbraw/zinc/54/15/81/346541581.db2.gz LMCRLVHFTWMMGU-IHWYPQMZSA-N 0 0 198.247 2.644 10 0 AFAERN C/C=C/CNCc1c(F)cccc1F 385063887 346542391 /nfs/dbraw/zinc/54/23/91/346542391.db2.gz VASKDFWKYNFLAZ-NSCUHMNNSA-N 0 0 197.228 2.631 10 0 AFAERN C/C=C\CNCc1c(F)cccc1F 385063872 346542824 /nfs/dbraw/zinc/54/28/24/346542824.db2.gz VASKDFWKYNFLAZ-IHWYPQMZSA-N 0 0 197.228 2.631 10 0 AFAERN CCCCCSCCCOC 388077413 346545886 /nfs/dbraw/zinc/54/58/86/346545886.db2.gz HLGGPPNGOVSFLV-UHFFFAOYSA-N 0 0 176.325 2.946 10 0 AFAERN CCCCS[C@H](C)CCOC 388076222 346545900 /nfs/dbraw/zinc/54/59/00/346545900.db2.gz GPKWNJSHUGNXKK-SECBINFHSA-N 0 0 176.325 2.945 10 0 AFAERN CCCCS[C@@H](C)CCOC 388076225 346545996 /nfs/dbraw/zinc/54/59/96/346545996.db2.gz GPKWNJSHUGNXKK-VIFPVBQESA-N 0 0 176.325 2.945 10 0 AFAERN CCOCCSCCCSC 388078527 346546134 /nfs/dbraw/zinc/54/61/34/346546134.db2.gz HTCQRLFSTZPHBH-UHFFFAOYSA-N 0 0 194.365 2.509 10 0 AFAERN CO[C@H](C)CSCCC(C)C 388115327 346546527 /nfs/dbraw/zinc/54/65/27/346546527.db2.gz GGISKKIPQPEWSQ-SECBINFHSA-N 0 0 176.325 2.801 10 0 AFAERN COCCCSCCCSC 388109884 346546589 /nfs/dbraw/zinc/54/65/89/346546589.db2.gz ATBBYASLRGGPGT-UHFFFAOYSA-N 0 0 194.365 2.509 10 0 AFAERN CO[C@@H](C)CSCCC(C)C 388115330 346546778 /nfs/dbraw/zinc/54/67/78/346546778.db2.gz GGISKKIPQPEWSQ-VIFPVBQESA-N 0 0 176.325 2.801 10 0 AFAERN CCCCSCCOC(C)C 388139148 346547141 /nfs/dbraw/zinc/54/71/41/346547141.db2.gz AQUUJRMEETUCTK-UHFFFAOYSA-N 0 0 176.325 2.945 10 0 AFAERN CCCCSCCCCOC 388145478 346547151 /nfs/dbraw/zinc/54/71/51/346547151.db2.gz HGDMHGLJXKSTHA-UHFFFAOYSA-N 0 0 176.325 2.946 10 0 AFAERN FCCCSCc1nccs1 388141098 346547156 /nfs/dbraw/zinc/54/71/56/346547156.db2.gz CNICZPNFZOVZPH-UHFFFAOYSA-N 0 0 191.296 2.736 10 0 AFAERN CCCCCSC[C@@H](C)OC 388141143 346547286 /nfs/dbraw/zinc/54/72/86/346547286.db2.gz CPVCDIRGFHSHEY-SECBINFHSA-N 0 0 176.325 2.945 10 0 AFAERN CCCCCSC[C@H](C)OC 388141145 346547376 /nfs/dbraw/zinc/54/73/76/346547376.db2.gz CPVCDIRGFHSHEY-VIFPVBQESA-N 0 0 176.325 2.945 10 0 AFAERN O=[S@](CCC1CC1)c1ccccc1 388200146 346547840 /nfs/dbraw/zinc/54/78/40/346547840.db2.gz AHPOSORKRBKVNZ-CYBMUJFWSA-N 0 0 194.299 2.594 10 0 AFAERN O=[S@@](CCC1CC1)c1ccccc1 388200151 346547850 /nfs/dbraw/zinc/54/78/50/346547850.db2.gz AHPOSORKRBKVNZ-ZDUSSCGKSA-N 0 0 194.299 2.594 10 0 AFAERN CCOCCCSc1ccccn1 388200503 346548204 /nfs/dbraw/zinc/54/82/04/346548204.db2.gz AIRMZQUSVTUWML-UHFFFAOYSA-N 0 0 197.303 2.600 10 0 AFAERN CCCCSCc1ccnc(C)n1 388276533 346549013 /nfs/dbraw/zinc/54/90/13/346549013.db2.gz JKSNDNBSHLOLAF-UHFFFAOYSA-N 0 0 196.319 2.818 10 0 AFAERN Cn1ccc(CSCC(C)(C)C)n1 388262479 346549134 /nfs/dbraw/zinc/54/91/34/346549134.db2.gz AVMVWDFMOGSQIY-UHFFFAOYSA-N 0 0 198.335 2.699 10 0 AFAERN CSCCN(C)c1cccc(C)c1 388268748 346549252 /nfs/dbraw/zinc/54/92/52/346549252.db2.gz DVFVETLQRYXYHU-UHFFFAOYSA-N 0 0 195.331 2.794 10 0 AFAERN CCCN(C)C(=O)CCC(C)(C)C 388263538 346549318 /nfs/dbraw/zinc/54/93/18/346549318.db2.gz BZXNNWOTZZJGLM-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN CCCc1noc([C@H](C)CCC)n1 388322067 346549793 /nfs/dbraw/zinc/54/97/93/346549793.db2.gz XQLLUEVRZUGNQN-MRVPVSSYSA-N 0 0 182.267 2.926 10 0 AFAERN C/C=C\CSC[C@H]1CCCOC1 388390669 346551507 /nfs/dbraw/zinc/55/15/07/346551507.db2.gz BULLSTFDZMFQFY-ZMWSMAPVSA-N 0 0 186.320 2.722 10 0 AFAERN C/C=C/CSC[C@H]1CCCOC1 388390667 346551535 /nfs/dbraw/zinc/55/15/35/346551535.db2.gz BULLSTFDZMFQFY-PBKGFPTLSA-N 0 0 186.320 2.722 10 0 AFAERN CC(C)COCCSCC1CC1 388391945 346551559 /nfs/dbraw/zinc/55/15/59/346551559.db2.gz CRBOTFIZBSUBSV-UHFFFAOYSA-N 0 0 188.336 2.802 10 0 AFAERN C/C=C/CSC[C@@H]1CCCOC1 388390668 346551593 /nfs/dbraw/zinc/55/15/93/346551593.db2.gz BULLSTFDZMFQFY-VMZHVLLKSA-N 0 0 186.320 2.722 10 0 AFAERN C/C=C\CSC[C@@H]1CCCOC1 388390666 346551753 /nfs/dbraw/zinc/55/17/53/346551753.db2.gz BULLSTFDZMFQFY-MXQLGCADSA-N 0 0 186.320 2.722 10 0 AFAERN CC(C)(C)OCCSCCCF 388393161 346552136 /nfs/dbraw/zinc/55/21/36/346552136.db2.gz DWCLHQPBRONECM-UHFFFAOYSA-N 0 0 194.315 2.894 10 0 AFAERN CCC[C@H](CC)SC[C@H](C)CO 388414415 346553496 /nfs/dbraw/zinc/55/34/96/346553496.db2.gz ZZXHZZMVDQZDDG-ZJUUUORDSA-N 0 0 190.352 2.927 10 0 AFAERN CCC[C@@H](CC)SC[C@H](C)CO 388414411 346553498 /nfs/dbraw/zinc/55/34/98/346553498.db2.gz ZZXHZZMVDQZDDG-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN CCCCSC[C@H]1CCCOC1 388418092 346553507 /nfs/dbraw/zinc/55/35/07/346553507.db2.gz GCVHSSPUIOYBJN-JTQLQIEISA-N 0 0 188.336 2.946 10 0 AFAERN CC(C)[C@@H](C)[S@](=O)CCC1CC1 388415602 346553548 /nfs/dbraw/zinc/55/35/48/346553548.db2.gz DXJFDCNCYAZGDT-BXKDBHETSA-N 0 0 188.336 2.580 10 0 AFAERN CCC[C@H](CC)SC[C@@H](C)CO 388414413 346553552 /nfs/dbraw/zinc/55/35/52/346553552.db2.gz ZZXHZZMVDQZDDG-UWVGGRQHSA-N 0 0 190.352 2.927 10 0 AFAERN CC(C)[C@H](C)[S@@](=O)CCC1CC1 388415603 346553560 /nfs/dbraw/zinc/55/35/60/346553560.db2.gz DXJFDCNCYAZGDT-CABZTGNLSA-N 0 0 188.336 2.580 10 0 AFAERN CC(C)[C@H](C)[S@](=O)CCC1CC1 388415604 346553579 /nfs/dbraw/zinc/55/35/79/346553579.db2.gz DXJFDCNCYAZGDT-JOYOIKCWSA-N 0 0 188.336 2.580 10 0 AFAERN CCCCCSC[C@@H]1CCOC1 388418105 346553627 /nfs/dbraw/zinc/55/36/27/346553627.db2.gz GDKUQDFFAIRKJW-SNVBAGLBSA-N 0 0 188.336 2.946 10 0 AFAERN CCC[C@@H](CC)SC[C@@H](C)CO 388414414 346553630 /nfs/dbraw/zinc/55/36/30/346553630.db2.gz ZZXHZZMVDQZDDG-VHSXEESVSA-N 0 0 190.352 2.927 10 0 AFAERN FCCCSCc1ccccn1 388414521 346553699 /nfs/dbraw/zinc/55/36/99/346553699.db2.gz AEGGSFQVIKYUCZ-UHFFFAOYSA-N 0 0 185.267 2.674 10 0 AFAERN CC(C)[C@@H](C)[S@@](=O)CCC1CC1 388415605 346553703 /nfs/dbraw/zinc/55/37/03/346553703.db2.gz DXJFDCNCYAZGDT-SKDRFNHKSA-N 0 0 188.336 2.580 10 0 AFAERN CCCCCSC[C@H]1CCOC1 388418104 346553725 /nfs/dbraw/zinc/55/37/25/346553725.db2.gz GDKUQDFFAIRKJW-JTQLQIEISA-N 0 0 188.336 2.946 10 0 AFAERN CCCCSC[C@@H]1CCCOC1 388418094 346553747 /nfs/dbraw/zinc/55/37/47/346553747.db2.gz GCVHSSPUIOYBJN-SNVBAGLBSA-N 0 0 188.336 2.946 10 0 AFAERN CCCCSCc1ncccn1 388480683 346556726 /nfs/dbraw/zinc/55/67/26/346556726.db2.gz UPLYLLVHIWXLCN-UHFFFAOYSA-N 0 0 182.292 2.510 10 0 AFAERN CCC(=O)CCCSCC1CC1 388489065 346557169 /nfs/dbraw/zinc/55/71/69/346557169.db2.gz FNNFFORECRJQLS-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN FCCCCSCc1ccon1 388492347 346557225 /nfs/dbraw/zinc/55/72/25/346557225.db2.gz HXYHLEGOFROHMI-UHFFFAOYSA-N 0 0 189.255 2.658 10 0 AFAERN CCSCCN(C)c1ccccc1 388582704 346559760 /nfs/dbraw/zinc/55/97/60/346559760.db2.gz CAPPSDCYJIHGRX-UHFFFAOYSA-N 0 0 195.331 2.876 10 0 AFAERN CCCc1noc(C(CC)CC)n1 388616694 346561424 /nfs/dbraw/zinc/56/14/24/346561424.db2.gz FSYPYCFHGRSMLH-UHFFFAOYSA-N 0 0 182.267 2.926 10 0 AFAERN C/C=C\CS[C@@H](C)c1cnccn1 388617407 346561578 /nfs/dbraw/zinc/56/15/78/346561578.db2.gz FZZONRYIZUAXSM-TYRPZCRBSA-N 0 0 194.303 2.847 10 0 AFAERN C/C=C/CS[C@@H](C)c1cnccn1 388617405 346561506 /nfs/dbraw/zinc/56/15/06/346561506.db2.gz FZZONRYIZUAXSM-NWALNABHSA-N 0 0 194.303 2.847 10 0 AFAERN C/C=C\CS[C@H](C)c1cnccn1 388617408 346561599 /nfs/dbraw/zinc/56/15/99/346561599.db2.gz FZZONRYIZUAXSM-ZBJFTSOASA-N 0 0 194.303 2.847 10 0 AFAERN CCCCCSCc1ncccn1 388616036 346561610 /nfs/dbraw/zinc/56/16/10/346561610.db2.gz CXZRSSAOMNNYOV-UHFFFAOYSA-N 0 0 196.319 2.900 10 0 AFAERN C/C=C/CS[C@H](C)c1cnccn1 388617404 346561694 /nfs/dbraw/zinc/56/16/94/346561694.db2.gz FZZONRYIZUAXSM-CDAZIORVSA-N 0 0 194.303 2.847 10 0 AFAERN CC(C)CCSCc1ccn(C)n1 388636575 346562300 /nfs/dbraw/zinc/56/23/00/346562300.db2.gz MWTNYAVUIGEEPO-UHFFFAOYSA-N 0 0 198.335 2.699 10 0 AFAERN CCC(C)(CC)NC(=O)CC(C)C 388712565 346564523 /nfs/dbraw/zinc/56/45/23/346564523.db2.gz PWJISYBZHIXPSA-UHFFFAOYSA-N 0 0 185.311 2.727 10 0 AFAERN CCSCCNc1ccc(C)nc1 388770403 346566120 /nfs/dbraw/zinc/56/61/20/346566120.db2.gz GNXHXXIUWDLGDD-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN Cc1nccc(CSCC(C)C)n1 388764914 346566286 /nfs/dbraw/zinc/56/62/86/346566286.db2.gz FGOJBJRHEWBMGX-UHFFFAOYSA-N 0 0 196.319 2.674 10 0 AFAERN CC(C)OC(=O)CC1(C)CCCC1 388802579 346567254 /nfs/dbraw/zinc/56/72/54/346567254.db2.gz PDJYARIKUZLQPK-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)[C@@H](C)SCc1cnn(C)c1 388782108 346567310 /nfs/dbraw/zinc/56/73/10/346567310.db2.gz JTRYPNILBKIRCP-SECBINFHSA-N 0 0 198.335 2.698 10 0 AFAERN CC(C)[C@H](C)SCc1cnn(C)c1 388782109 346567489 /nfs/dbraw/zinc/56/74/89/346567489.db2.gz JTRYPNILBKIRCP-VIFPVBQESA-N 0 0 198.335 2.698 10 0 AFAERN C/C=C/CSCCn1cc(C)cn1 388890489 346568779 /nfs/dbraw/zinc/56/87/79/346568779.db2.gz LBMHYQLHNAABCM-ONEGZZNKSA-N 0 0 196.319 2.501 10 0 AFAERN C/C=C\CSCCn1cc(C)cn1 388890487 346568939 /nfs/dbraw/zinc/56/89/39/346568939.db2.gz LBMHYQLHNAABCM-ARJAWSKDSA-N 0 0 196.319 2.501 10 0 AFAERN CCCCCSCCn1ccnc1 388865619 346569280 /nfs/dbraw/zinc/56/92/80/346569280.db2.gz FRYLVAADNHCTJL-UHFFFAOYSA-N 0 0 198.335 2.807 10 0 AFAERN C/C=C\CSCc1cc(C)no1 393321122 346574693 /nfs/dbraw/zinc/57/46/93/346574693.db2.gz AUUKEKDYUVTRKG-ARJAWSKDSA-N 0 0 183.276 2.792 10 0 AFAERN C/C=C/CSCc1cc(C)no1 393321124 346574781 /nfs/dbraw/zinc/57/47/81/346574781.db2.gz AUUKEKDYUVTRKG-ONEGZZNKSA-N 0 0 183.276 2.792 10 0 AFAERN CC(C)CSCC(=O)C1(C)CC1 393321703 346574927 /nfs/dbraw/zinc/57/49/27/346574927.db2.gz CFWMKKRLTBLQPK-UHFFFAOYSA-N 0 0 186.320 2.745 10 0 AFAERN CC(C)(C)C(=O)CSC1CCC1 393329912 346575887 /nfs/dbraw/zinc/57/58/87/346575887.db2.gz DXEWHQNATKUGGD-UHFFFAOYSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)CSCCOCC1CC1 393354283 346576864 /nfs/dbraw/zinc/57/68/64/346576864.db2.gz HZOJPKLTRFHGMP-UHFFFAOYSA-N 0 0 188.336 2.802 10 0 AFAERN C/C(=C\[C@@H](C)O)c1cccs1 393477988 346577643 /nfs/dbraw/zinc/57/76/43/346577643.db2.gz CFRDWLKFUJGRLH-HYDMIIDASA-N 0 0 168.261 2.532 10 0 AFAERN Cc1cccnc1CSCCCF 393543419 346578136 /nfs/dbraw/zinc/57/81/36/346578136.db2.gz ACWWFEZALXEXRO-UHFFFAOYSA-N 0 0 199.294 2.983 10 0 AFAERN CCC[C@@H](O)CC/C=C\Cl 393504196 346578200 /nfs/dbraw/zinc/57/82/00/346578200.db2.gz AQLJAFBEIXBJQZ-RBMBQVQZSA-N 0 0 162.660 2.680 10 0 AFAERN CCC[C@H](O)CC/C=C\Cl 393504191 346578331 /nfs/dbraw/zinc/57/83/31/346578331.db2.gz AQLJAFBEIXBJQZ-NZGHECTNSA-N 0 0 162.660 2.680 10 0 AFAERN C/C=C(/CC)C(=O)c1cscn1 393560499 346579010 /nfs/dbraw/zinc/57/90/10/346579010.db2.gz OCUUAWVWJXXRAE-CLTKARDFSA-N 0 0 181.260 2.682 10 0 AFAERN CC(=O)C1(C/C(C)=C\Cl)CC1 393573181 346579585 /nfs/dbraw/zinc/57/95/85/346579585.db2.gz YMNLJXDMUGEKFH-SREVYHEPSA-N 0 0 172.655 2.888 10 0 AFAERN C/C=C\CCNc1cc(C)cc(N)c1 393666278 346580552 /nfs/dbraw/zinc/58/05/52/346580552.db2.gz BPGZHTQRYXFEEF-ARJAWSKDSA-N 0 0 190.290 2.955 10 0 AFAERN C/C=C\Cn1ccc2cc(N)ccc21 393673131 346580494 /nfs/dbraw/zinc/58/04/94/346580494.db2.gz NZOCVTJLEGKMGX-IHWYPQMZSA-N 0 0 186.258 2.800 10 0 AFAERN CC(C)=CC(=O)C1CCSCC1 393696653 346581060 /nfs/dbraw/zinc/58/10/60/346581060.db2.gz OTEICFLEOWKXHZ-UHFFFAOYSA-N 0 0 184.304 2.665 10 0 AFAERN CCn1ccnc1CSCC(C)C 393706414 346581253 /nfs/dbraw/zinc/58/12/53/346581253.db2.gz UUJFDMUGTNWXRE-UHFFFAOYSA-N 0 0 198.335 2.792 10 0 AFAERN C/C=C\C[S@@](=O)c1ccc(C)cc1 393708799 346581830 /nfs/dbraw/zinc/58/18/30/346581830.db2.gz CZAJQMJEZUAPSO-DHCBQETCSA-N 0 0 194.299 2.679 10 0 AFAERN c1cnc(CSCC2CCC2)nc1 393713105 346581886 /nfs/dbraw/zinc/58/18/86/346581886.db2.gz FPGDBDPVNKJMNG-UHFFFAOYSA-N 0 0 194.303 2.510 10 0 AFAERN C/C=C\C[S@](=O)c1ccc(C)cc1 393708800 346582006 /nfs/dbraw/zinc/58/20/06/346582006.db2.gz CZAJQMJEZUAPSO-SCOBNMCVSA-N 0 0 194.299 2.679 10 0 AFAERN CC(C)[C@@H](C)SCc1ccn(C)n1 393713597 346582048 /nfs/dbraw/zinc/58/20/48/346582048.db2.gz HXWAMOYUOJRROQ-SECBINFHSA-N 0 0 198.335 2.698 10 0 AFAERN CC(C)[C@H](C)SCc1ccn(C)n1 393713598 346582121 /nfs/dbraw/zinc/58/21/21/346582121.db2.gz HXWAMOYUOJRROQ-VIFPVBQESA-N 0 0 198.335 2.698 10 0 AFAERN Cc1cc(CSCC(C)C)ncn1 393718199 346582438 /nfs/dbraw/zinc/58/24/38/346582438.db2.gz SPHUTCDULGUCQG-UHFFFAOYSA-N 0 0 196.319 2.674 10 0 AFAERN c1cnc(CSCCC2CC2)nc1 393725564 346583161 /nfs/dbraw/zinc/58/31/61/346583161.db2.gz OQLHAFXNLNKXLR-UHFFFAOYSA-N 0 0 194.303 2.510 10 0 AFAERN CO[C@@H]1CCC[C@@H]1SCC(C)C 393959754 346583827 /nfs/dbraw/zinc/58/38/27/346583827.db2.gz GSENFPXKQJPDHX-ZJUUUORDSA-N 0 0 188.336 2.943 10 0 AFAERN CO[C@H]1CCC[C@H]1SCC(C)C 393959752 346583841 /nfs/dbraw/zinc/58/38/41/346583841.db2.gz GSENFPXKQJPDHX-VHSXEESVSA-N 0 0 188.336 2.943 10 0 AFAERN CO[C@H]1CCC[C@@H]1SCC(C)C 393959750 346583877 /nfs/dbraw/zinc/58/38/77/346583877.db2.gz GSENFPXKQJPDHX-UWVGGRQHSA-N 0 0 188.336 2.943 10 0 AFAERN CO[C@@H]1CCC[C@H]1SCC(C)C 393959748 346583938 /nfs/dbraw/zinc/58/39/38/346583938.db2.gz GSENFPXKQJPDHX-NXEZZACHSA-N 0 0 188.336 2.943 10 0 AFAERN CCC(C)(C)/C=C(\C)[N+](=O)[O-] 394606415 346584649 /nfs/dbraw/zinc/58/46/49/346584649.db2.gz PORFSLHSDQTSCN-VOTSOKGWSA-N 0 0 157.213 2.603 10 0 AFAERN C/C=C\CNc1ccc(N)c(C)c1 394976078 346585664 /nfs/dbraw/zinc/58/56/64/346585664.db2.gz UFDKXJXSVBYVMB-ARJAWSKDSA-N 0 0 176.263 2.565 10 0 AFAERN CC=CC(=O)[C@@H](C)c1ccccc1 394941572 346585720 /nfs/dbraw/zinc/58/57/20/346585720.db2.gz QUUGXHQKYDVXIJ-NXSJDDFASA-N 0 0 174.243 2.935 10 0 AFAERN CC=CC(=O)[C@H](C)c1ccccc1 394941573 346585750 /nfs/dbraw/zinc/58/57/50/346585750.db2.gz QUUGXHQKYDVXIJ-WXGCRTCVSA-N 0 0 174.243 2.935 10 0 AFAERN CCOC(=O)N1CCCC[C@@H]1C(C)C 395787340 346587515 /nfs/dbraw/zinc/58/75/15/346587515.db2.gz QVJMCVHTAKNZMI-SNVBAGLBSA-N 0 0 199.294 2.653 10 0 AFAERN CC/C(=C\C(C)=O)C(C)(C)C 395474029 346587713 /nfs/dbraw/zinc/58/77/13/346587713.db2.gz OSTMOKGBQSUVGA-VQHVLOKHSA-N 0 0 154.253 2.958 10 0 AFAERN CCOC(=O)N1CCCC[C@H]1C(C)C 395787338 346587755 /nfs/dbraw/zinc/58/77/55/346587755.db2.gz QVJMCVHTAKNZMI-JTQLQIEISA-N 0 0 199.294 2.653 10 0 AFAERN O=Cc1ccc(Nc2cccnc2)cc1 396150494 346588271 /nfs/dbraw/zinc/58/82/71/346588271.db2.gz PSWIYMJQRRPSND-UHFFFAOYSA-N 0 0 198.225 2.638 10 0 AFAERN CC/C(=C/C(C)=O)[C@@H]1CC1(C)C 397712332 346592796 /nfs/dbraw/zinc/59/27/96/346592796.db2.gz SYLFJQNPVCKVNE-MBACFSSFSA-N 0 0 166.264 2.958 10 0 AFAERN CCCCc1csc(C(C)=O)n1 397696220 346593088 /nfs/dbraw/zinc/59/30/88/346593088.db2.gz QBPPEXHEYYDAHT-UHFFFAOYSA-N 0 0 183.276 2.688 10 0 AFAERN CC/C(=C/C(C)=O)[C@H]1CC1(C)C 397712330 346593189 /nfs/dbraw/zinc/59/31/89/346593189.db2.gz SYLFJQNPVCKVNE-ABRRARGCSA-N 0 0 166.264 2.958 10 0 AFAERN CCCC(=O)N(C)C[C@@H](C)C(C)(C)C 399510606 346598555 /nfs/dbraw/zinc/59/85/55/346598555.db2.gz MYNBKZHODFOCOA-SNVBAGLBSA-N 0 0 199.338 2.927 10 0 AFAERN CCC(=O)N(C)C[C@H](C)C(C)(C)C 399533656 346598572 /nfs/dbraw/zinc/59/85/72/346598572.db2.gz VYKBYNIVSFIGCK-VIFPVBQESA-N 0 0 185.311 2.537 10 0 AFAERN CCCC(=O)N(C)C[C@H](C)C(C)(C)C 399510603 346598796 /nfs/dbraw/zinc/59/87/96/346598796.db2.gz MYNBKZHODFOCOA-JTQLQIEISA-N 0 0 199.338 2.927 10 0 AFAERN C[C@@H](CN(C)C(=O)C1CC1)C(C)(C)C 399498601 346598876 /nfs/dbraw/zinc/59/88/76/346598876.db2.gz IURUTSXPYJIHHR-VIFPVBQESA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)C(=O)N(C)C[C@H](C)C(C)(C)C 399507119 346598898 /nfs/dbraw/zinc/59/88/98/346598898.db2.gz LQKDXOUSRDAOBC-JTQLQIEISA-N 0 0 199.338 2.783 10 0 AFAERN CC(C)C(=O)N(C)C[C@@H](C)C(C)(C)C 399507121 346598948 /nfs/dbraw/zinc/59/89/48/346598948.db2.gz LQKDXOUSRDAOBC-SNVBAGLBSA-N 0 0 199.338 2.783 10 0 AFAERN C[C@H](CN(C)C(=O)C1CC1)C(C)(C)C 399498599 346598973 /nfs/dbraw/zinc/59/89/73/346598973.db2.gz IURUTSXPYJIHHR-SECBINFHSA-N 0 0 197.322 2.537 10 0 AFAERN CCC(=O)N(C)C[C@@H](C)C(C)(C)C 399533655 346599013 /nfs/dbraw/zinc/59/90/13/346599013.db2.gz VYKBYNIVSFIGCK-SECBINFHSA-N 0 0 185.311 2.537 10 0 AFAERN CCCCSc1ccncc1C#N 399645954 346599830 /nfs/dbraw/zinc/59/98/30/346599830.db2.gz LJPONGDYLQGJTK-UHFFFAOYSA-N 0 0 192.287 2.845 10 0 AFAERN CC(C)[C@@H](C)Nc1cccnc1F 401432044 346607276 /nfs/dbraw/zinc/60/72/76/346607276.db2.gz PGIDZNHHPILMGV-MRVPVSSYSA-N 0 0 182.242 2.677 10 0 AFAERN Fc1ncccc1NC1CCCC1 401422892 346607306 /nfs/dbraw/zinc/60/73/06/346607306.db2.gz MVAJMXJSOYJIBT-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN CC(C)[C@H](C)Nc1cccnc1F 401432047 346607392 /nfs/dbraw/zinc/60/73/92/346607392.db2.gz PGIDZNHHPILMGV-QMMMGPOBSA-N 0 0 182.242 2.677 10 0 AFAERN CC(C)(C)CNc1cccnc1F 401453661 346608532 /nfs/dbraw/zinc/60/85/32/346608532.db2.gz XXHXHCSEDFWEHU-UHFFFAOYSA-N 0 0 182.242 2.679 10 0 AFAERN O=C(c1ccoc1)C1CCSCC1 401577106 346612566 /nfs/dbraw/zinc/61/25/66/346612566.db2.gz ILWQEIADMWMXJP-UHFFFAOYSA-N 0 0 196.271 2.606 10 0 AFAERN CC1(C)C[C@@H]1C(=O)C1CCSCC1 401588621 346612953 /nfs/dbraw/zinc/61/29/53/346612953.db2.gz PBUWRFFXMMKNND-SECBINFHSA-N 0 0 198.331 2.745 10 0 AFAERN CC(C)(C)C(=O)C1CCSCC1 401591345 346613077 /nfs/dbraw/zinc/61/30/77/346613077.db2.gz RJPUNWANFWNIQA-UHFFFAOYSA-N 0 0 186.320 2.745 10 0 AFAERN CC1(C)C[C@H]1C(=O)C1CCSCC1 401588625 346613123 /nfs/dbraw/zinc/61/31/23/346613123.db2.gz PBUWRFFXMMKNND-VIFPVBQESA-N 0 0 198.331 2.745 10 0 AFAERN O=C(c1ccco1)C1CCSCC1 401597863 346613311 /nfs/dbraw/zinc/61/33/11/346613311.db2.gz XGMZGNGZWAFSNB-UHFFFAOYSA-N 0 0 196.271 2.606 10 0 AFAERN Cc1cscc1N[C@@H]1CO[C@H](C)C1 401805974 346618129 /nfs/dbraw/zinc/61/81/29/346618129.db2.gz BWEWJDBLHDHNAK-BDAKNGLRSA-N 0 0 197.303 2.646 10 0 AFAERN Cc1cscc1N[C@@H]1CO[C@@H](C)C1 401805977 346618259 /nfs/dbraw/zinc/61/82/59/346618259.db2.gz BWEWJDBLHDHNAK-IUCAKERBSA-N 0 0 197.303 2.646 10 0 AFAERN Cc1cscc1N[C@H]1CO[C@H](C)C1 401805978 346618432 /nfs/dbraw/zinc/61/84/32/346618432.db2.gz BWEWJDBLHDHNAK-RKDXNWHRSA-N 0 0 197.303 2.646 10 0 AFAERN Cc1cscc1N[C@H]1CO[C@@H](C)C1 401805976 346618569 /nfs/dbraw/zinc/61/85/69/346618569.db2.gz BWEWJDBLHDHNAK-DTWKUNHWSA-N 0 0 197.303 2.646 10 0 AFAERN C[C@@H]1CC[C@H](Nc2ccsc2)CO1 401905346 346623741 /nfs/dbraw/zinc/62/37/41/346623741.db2.gz HCTDKAAPFGDATI-BDAKNGLRSA-N 0 0 197.303 2.728 10 0 AFAERN C[C@H]1CC[C@H](Nc2ccsc2)CO1 401905351 346623924 /nfs/dbraw/zinc/62/39/24/346623924.db2.gz HCTDKAAPFGDATI-IUCAKERBSA-N 0 0 197.303 2.728 10 0 AFAERN C[C@@H]1CC[C@@H](Nc2ccsc2)CO1 401905352 346623991 /nfs/dbraw/zinc/62/39/91/346623991.db2.gz HCTDKAAPFGDATI-RKDXNWHRSA-N 0 0 197.303 2.728 10 0 AFAERN C[C@H]1CC[C@@H](Nc2ccsc2)CO1 401905348 346624012 /nfs/dbraw/zinc/62/40/12/346624012.db2.gz HCTDKAAPFGDATI-DTWKUNHWSA-N 0 0 197.303 2.728 10 0 AFAERN O=C1CSC[C@H]1C[C@H]1CC=CCC1 402298958 346629093 /nfs/dbraw/zinc/62/90/93/346629093.db2.gz JJVVBVOQWQBTNH-VHSXEESVSA-N 0 0 196.315 2.665 10 0 AFAERN O=C1CSC[C@H]1C[C@@H]1CC=CCC1 402298941 346629237 /nfs/dbraw/zinc/62/92/37/346629237.db2.gz JJVVBVOQWQBTNH-NXEZZACHSA-N 0 0 196.315 2.665 10 0 AFAERN O=C1CSC[C@@H]1C[C@@H]1CC=CCC1 402298967 346629281 /nfs/dbraw/zinc/62/92/81/346629281.db2.gz JJVVBVOQWQBTNH-ZJUUUORDSA-N 0 0 196.315 2.665 10 0 AFAERN O=C1CSC[C@@H]1C[C@H]1CC=CCC1 402298951 346629370 /nfs/dbraw/zinc/62/93/70/346629370.db2.gz JJVVBVOQWQBTNH-UWVGGRQHSA-N 0 0 196.315 2.665 10 0 AFAERN Fc1nccnc1SC1CCCC1 402727040 346631438 /nfs/dbraw/zinc/63/14/38/346631438.db2.gz AQSLZXXVTOXLQG-UHFFFAOYSA-N 0 0 198.266 2.650 10 0 AFAERN CC(C)(C)Sc1nccnc1F 402737199 346631479 /nfs/dbraw/zinc/63/14/79/346631479.db2.gz GJSRQYYABGWPKG-UHFFFAOYSA-N 0 0 186.255 2.506 10 0 AFAERN CC(C)OC(=O)[C@H](C)CC(F)(F)F 402797003 346632104 /nfs/dbraw/zinc/63/21/04/346632104.db2.gz QZTDLWBTTCIXML-ZCFIWIBFSA-N 0 0 198.184 2.527 10 0 AFAERN CC(C)OC(=O)[C@@H](C)CC(F)(F)F 402797002 346632253 /nfs/dbraw/zinc/63/22/53/346632253.db2.gz QZTDLWBTTCIXML-LURJTMIESA-N 0 0 198.184 2.527 10 0 AFAERN CCC(=O)c1cccc2cnsc12 403034895 346633491 /nfs/dbraw/zinc/63/34/91/346633491.db2.gz ZUHHQZUKMSADEV-UHFFFAOYSA-N 0 0 191.255 2.889 10 0 AFAERN Clc1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1 403337511 346635178 /nfs/dbraw/zinc/63/51/78/346635178.db2.gz DVGLFUDTZAXFKK-FSDSQADBSA-N 0 0 198.653 2.627 10 0 AFAERN Clc1noc([C@@H]2CC[C@H]3C[C@H]3C2)n1 403337514 346635203 /nfs/dbraw/zinc/63/52/03/346635203.db2.gz DVGLFUDTZAXFKK-XVMARJQXSA-N 0 0 198.653 2.627 10 0 AFAERN c1csc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 403393207 346635750 /nfs/dbraw/zinc/63/57/50/346635750.db2.gz QUBJCPKFOUGQHG-IWSPIJDZSA-N 0 0 194.303 2.744 10 0 AFAERN CC(=O)[C@H](C)CC=C(Cl)Cl 403355628 346635795 /nfs/dbraw/zinc/63/57/95/346635795.db2.gz JJJBEEDMEOJLMD-RXMQYKEDSA-N 0 0 181.062 2.921 10 0 AFAERN CC(=O)[C@@H](C)CC=C(Cl)Cl 403355630 346635804 /nfs/dbraw/zinc/63/58/04/346635804.db2.gz JJJBEEDMEOJLMD-YFKPBYRVSA-N 0 0 181.062 2.921 10 0 AFAERN c1csc(N[C@@H]2CC[C@H]3C[C@H]3C2)n1 403393209 346635891 /nfs/dbraw/zinc/63/58/91/346635891.db2.gz QUBJCPKFOUGQHG-XHNCKOQMSA-N 0 0 194.303 2.744 10 0 AFAERN S=c1[nH]ccn1[C@@H]1CC[C@@H]2C[C@@H]2C1 403753689 346638492 /nfs/dbraw/zinc/63/84/92/346638492.db2.gz PPFSCNFNKUUJHT-IWSPIJDZSA-N 0 0 194.303 2.533 10 0 AFAERN CC(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403761119 346638579 /nfs/dbraw/zinc/63/85/79/346638579.db2.gz QZNQDYQPIFZNLG-AEJSXWLSSA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403761182 346638624 /nfs/dbraw/zinc/63/86/24/346638624.db2.gz QZNQDYQPIFZNLG-OPRDCNLKSA-N 0 0 166.264 2.648 10 0 AFAERN S=c1[nH]ccn1[C@@H]1CC[C@H]2C[C@H]2C1 403753692 346638661 /nfs/dbraw/zinc/63/86/61/346638661.db2.gz PPFSCNFNKUUJHT-XHNCKOQMSA-N 0 0 194.303 2.533 10 0 AFAERN Clc1nnc([C@@H]2CC[C@H]3C[C@H]3C2)o1 403793134 346639050 /nfs/dbraw/zinc/63/90/50/346639050.db2.gz BTZDSFDBZJWJHN-XVMARJQXSA-N 0 0 198.653 2.627 10 0 AFAERN c1cc(CNc2ccsc2)sn1 404454195 346643924 /nfs/dbraw/zinc/64/39/24/346643924.db2.gz IHMJOKBOKPQKTI-UHFFFAOYSA-N 0 0 196.300 2.817 10 0 AFAERN CC[C@@H](C)Nc1cc(C)cnc1C 404471948 346644896 /nfs/dbraw/zinc/64/48/96/346644896.db2.gz DQFDTPGDCWCCFB-SECBINFHSA-N 0 0 178.279 2.909 10 0 AFAERN CC[C@H](C)Nc1cc(C)cnc1C 404471949 346644969 /nfs/dbraw/zinc/64/49/69/346644969.db2.gz DQFDTPGDCWCCFB-VIFPVBQESA-N 0 0 178.279 2.909 10 0 AFAERN Cc1cnc(C)c(NCC2CC2)c1 404491133 346645393 /nfs/dbraw/zinc/64/53/93/346645393.db2.gz QCEKSAQYDRSHKL-UHFFFAOYSA-N 0 0 176.263 2.520 10 0 AFAERN CCCNc1cc(C)cnc1C 404492338 346645404 /nfs/dbraw/zinc/64/54/04/346645404.db2.gz QXHOULZNEBRVDG-UHFFFAOYSA-N 0 0 164.252 2.520 10 0 AFAERN Cc1cnc(C)c(NC2CCC2)c1 404492721 346645553 /nfs/dbraw/zinc/64/55/53/346645553.db2.gz RMKPEJMKZVDLPX-UHFFFAOYSA-N 0 0 176.263 2.663 10 0 AFAERN Cc1ncc(C)c2c(Cl)ccnc12 404502809 346645991 /nfs/dbraw/zinc/64/59/91/346645991.db2.gz ZMFGMKRMFHEIQZ-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN Cc1cnc(C)c(N=[N+]=[N-])c1 404558366 346646399 /nfs/dbraw/zinc/64/63/99/346646399.db2.gz QKNQBHMHKHQGFG-UHFFFAOYSA-N 0 0 148.169 2.640 10 0 AFAERN O=C(c1cnsc1)C1CCCC1 404589973 346647216 /nfs/dbraw/zinc/64/72/16/346647216.db2.gz ITQNGGFTFJYRJY-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)c1cnsc1 404617466 346647506 /nfs/dbraw/zinc/64/75/06/346647506.db2.gz JFZNLAKKDMRISW-VXNVDRBHSA-N 0 0 195.287 2.762 10 0 AFAERN Cc1ccc(N)c(-c2cnsc2)c1 404629919 346647616 /nfs/dbraw/zinc/64/76/16/346647616.db2.gz UXKPFXVYOYIPMC-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)c1cnsc1 404617463 346647660 /nfs/dbraw/zinc/64/76/60/346647660.db2.gz JFZNLAKKDMRISW-APPZFPTMSA-N 0 0 195.287 2.762 10 0 AFAERN Cc1c(N)cccc1-c1cnsc1 404626833 346647711 /nfs/dbraw/zinc/64/77/11/346647711.db2.gz RZQKWLKUNYIQHJ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC1(C(=O)c2cnsc2)CCCC1 404616453 346647713 /nfs/dbraw/zinc/64/77/13/346647713.db2.gz INSXVBCCZLVDMT-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)c1cnsc1 404617465 346647724 /nfs/dbraw/zinc/64/77/24/346647724.db2.gz JFZNLAKKDMRISW-IONNQARKSA-N 0 0 195.287 2.762 10 0 AFAERN Cc1cc(-c2cnsc2)ccc1N 404625245 346647727 /nfs/dbraw/zinc/64/77/27/346647727.db2.gz QUDRNUKZYATAND-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)c1cnsc1 404617464 346647772 /nfs/dbraw/zinc/64/77/72/346647772.db2.gz JFZNLAKKDMRISW-CBAPKCEASA-N 0 0 195.287 2.762 10 0 AFAERN Cc1ccc(N)cc1-c1cnsc1 404613324 346647777 /nfs/dbraw/zinc/64/77/77/346647777.db2.gz IEVFAQWRTMCXAS-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(N)ccc1-c1cnsc1 404627158 346647778 /nfs/dbraw/zinc/64/77/78/346647778.db2.gz SHPOWSDLKYPTGW-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Nc1ccc(-c2cnsc2)c(F)c1 404640859 346648032 /nfs/dbraw/zinc/64/80/32/346648032.db2.gz CMWLEBOEBFJVGQ-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1cc(F)cc(-c2cnsc2)c1 404637714 346648083 /nfs/dbraw/zinc/64/80/83/346648083.db2.gz AYMBVPBYTDDVHE-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1ccc(-c2cnsc2)cc1F 404642843 346648178 /nfs/dbraw/zinc/64/81/78/346648178.db2.gz DOKKISBOKMYYRS-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1ccc(-c2cnsc2)c(N)c1 404645624 346648249 /nfs/dbraw/zinc/64/82/49/346648249.db2.gz GLZUPHKQHHCBSD-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Nc1ccc(F)cc1-c1cnsc1 404645555 346648285 /nfs/dbraw/zinc/64/82/85/346648285.db2.gz GGQNTOXZWHNYEM-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1ccc(F)c(-c2cnsc2)c1 404638372 346648314 /nfs/dbraw/zinc/64/83/14/346648314.db2.gz BGTSBMRTBFTEFC-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1c(F)cccc1-c1cnsc1 404640322 346648336 /nfs/dbraw/zinc/64/83/36/346648336.db2.gz CFOFPNZNFGICIO-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1cc(N)cc(-c2cnsc2)c1 404634486 346648347 /nfs/dbraw/zinc/64/83/47/346648347.db2.gz YLQSIDKXHJMONM-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(-c2cnsc2)cc1N 404664694 346648382 /nfs/dbraw/zinc/64/83/82/346648382.db2.gz UHAPIAYWLJDZGK-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Nc1cc(F)ccc1-c1cnsc1 404669057 346648412 /nfs/dbraw/zinc/64/84/12/346648412.db2.gz WQASKVNZYCRHRH-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)c2cnsc2)C1 404660948 346648437 /nfs/dbraw/zinc/64/84/37/346648437.db2.gz WHKCCDVKRLNJMI-JGVFFNPUSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)c2cnsc2)C1 404660946 346648467 /nfs/dbraw/zinc/64/84/67/346648467.db2.gz WHKCCDVKRLNJMI-HTQZYQBOSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)c2cnsc2)C1 404660950 346648489 /nfs/dbraw/zinc/64/84/89/346648489.db2.gz WHKCCDVKRLNJMI-SFYZADRCSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CC[C@H](C(=O)c2cnsc2)C1 404660952 346648534 /nfs/dbraw/zinc/64/85/34/346648534.db2.gz WHKCCDVKRLNJMI-YUMQZZPRSA-N 0 0 195.287 2.762 10 0 AFAERN O=C(c1cnsc1)C1CCCCC1 404665716 346648814 /nfs/dbraw/zinc/64/88/14/346648814.db2.gz YLEAAMMSAVIUSR-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN O=Cc1ccc(-c2cnsc2)cc1 404711134 346649773 /nfs/dbraw/zinc/64/97/73/346649773.db2.gz DMVPHSNKGHAFOH-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN O=Cc1cccc(-c2cnsc2)c1 404731755 346649782 /nfs/dbraw/zinc/64/97/82/346649782.db2.gz RHFPPFAVPYIYOW-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN Cc1ccc(O)c(-c2cnsc2)c1 404733095 346649814 /nfs/dbraw/zinc/64/98/14/346649814.db2.gz RYYVYDMGRCAIBQ-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Oc1ccc(-c2cnsc2)c(F)c1 404727931 346649825 /nfs/dbraw/zinc/64/98/25/346649825.db2.gz PATDJCIKAUNKML-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Cc1cc(O)ccc1-c1cnsc1 404718316 346649839 /nfs/dbraw/zinc/64/98/39/346649839.db2.gz ISTITJLGYIMISD-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Oc1ccc(-c2cnsc2)cc1F 404725014 346649859 /nfs/dbraw/zinc/64/98/59/346649859.db2.gz NARCFQPFCAHGRY-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Oc1cc(F)cc(-c2cnsc2)c1 404726543 346649879 /nfs/dbraw/zinc/64/98/79/346649879.db2.gz OAEZPLLTWWRSJF-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN O=Cc1ccc(-c2cnsc2)s1 404727484 346649928 /nfs/dbraw/zinc/64/99/28/346649928.db2.gz OVCFMRFVHRZOIW-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN Oc1cc(F)ccc1-c1cnsc1 404719462 346649961 /nfs/dbraw/zinc/64/99/61/346649961.db2.gz JJTOOCKMYLKBPU-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN O=C1CCCCC[C@H]1c1cnsc1 404719419 346649985 /nfs/dbraw/zinc/64/99/85/346649985.db2.gz JIBFQOUEVBQYRS-VIFPVBQESA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCCC[C@@H]1c1cnsc1 404719418 346650032 /nfs/dbraw/zinc/65/00/32/346650032.db2.gz JIBFQOUEVBQYRS-SECBINFHSA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCC[C@H](c2cnsc2)C1 404739198 346650378 /nfs/dbraw/zinc/65/03/78/346650378.db2.gz VUWZTLNVFRKFBE-QMMMGPOBSA-N 0 0 195.287 2.760 10 0 AFAERN Cc1ccc(O)cc1-c1cnsc1 404740129 346650397 /nfs/dbraw/zinc/65/03/97/346650397.db2.gz WGRLWLRMVYQUMZ-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Oc1ccc(F)cc1-c1cnsc1 404745369 346650432 /nfs/dbraw/zinc/65/04/32/346650432.db2.gz ZJEWHHSEAORZAB-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN O=C1CCCC[C@@H](c2cnsc2)C1 404739197 346650507 /nfs/dbraw/zinc/65/05/07/346650507.db2.gz VUWZTLNVFRKFBE-MRVPVSSYSA-N 0 0 195.287 2.760 10 0 AFAERN O=Cc1ccccc1-c1cnsc1 404735943 346650550 /nfs/dbraw/zinc/65/05/50/346650550.db2.gz UGHQFBHMHYFRGA-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN O=Cc1ccc(-c2cscn2)s1 404852038 346652829 /nfs/dbraw/zinc/65/28/29/346652829.db2.gz OVMFSMCJIYMMEF-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN O=Cc1ccc(-c2ccsn2)s1 404860217 346653265 /nfs/dbraw/zinc/65/32/65/346653265.db2.gz RVJSLVKQPFWFOV-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN O=Cc1ccc(-c2ccoc2)s1 404860902 346653545 /nfs/dbraw/zinc/65/35/45/346653545.db2.gz SHKOQINYUANNDH-UHFFFAOYSA-N 0 0 178.212 2.821 10 0 AFAERN O=Cc1ccc(-c2ccns2)s1 404870092 346653861 /nfs/dbraw/zinc/65/38/61/346653861.db2.gz MPHGNURGHMCHQI-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN Clc1cccc(-c2cnsc2)n1 404969508 346655511 /nfs/dbraw/zinc/65/55/11/346655511.db2.gz YIOJYEKTJVYRRA-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN C[C@@H]1CCC[C@H](C(=O)C2CSC2)C1 405068610 346656482 /nfs/dbraw/zinc/65/64/82/346656482.db2.gz CMHOYUHNWPOKFP-BDAKNGLRSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@H]1CCC[C@@H](C(=O)C2CSC2)C1 405068611 346656507 /nfs/dbraw/zinc/65/65/07/346656507.db2.gz CMHOYUHNWPOKFP-DTWKUNHWSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1CCC[C@@H](C(=O)C2CSC2)C1 405068617 346656524 /nfs/dbraw/zinc/65/65/24/346656524.db2.gz CMHOYUHNWPOKFP-RKDXNWHRSA-N 0 0 198.331 2.745 10 0 AFAERN Cc1cccc(C(=O)C2CSC2)c1 405074135 346656537 /nfs/dbraw/zinc/65/65/37/346656537.db2.gz HOQHZZXGALVDHC-UHFFFAOYSA-N 0 0 192.283 2.541 10 0 AFAERN C[C@H]1CCC[C@H](C(=O)C2CSC2)C1 405068615 346656747 /nfs/dbraw/zinc/65/67/47/346656747.db2.gz CMHOYUHNWPOKFP-IUCAKERBSA-N 0 0 198.331 2.745 10 0 AFAERN O=C(C1CCCCCC1)C1CSC1 405091299 346656979 /nfs/dbraw/zinc/65/69/79/346656979.db2.gz QKJDORAYQWZWED-UHFFFAOYSA-N 0 0 198.331 2.889 10 0 AFAERN CC1CCC(C(=O)C2CSC2)CC1 405104664 346657627 /nfs/dbraw/zinc/65/76/27/346657627.db2.gz XWXVERFZNVBNMC-UHFFFAOYSA-N 0 0 198.331 2.745 10 0 AFAERN Cc1sccc1C(=O)C1CSC1 405106667 346657629 /nfs/dbraw/zinc/65/76/29/346657629.db2.gz YYYLCLNDSPDRHC-UHFFFAOYSA-N 0 0 198.312 2.602 10 0 AFAERN Cc1ccc(C(=O)C2CSC2)s1 405108964 346657638 /nfs/dbraw/zinc/65/76/38/346657638.db2.gz ZVOTVDXGTZEHFX-UHFFFAOYSA-N 0 0 198.312 2.602 10 0 AFAERN Cc1ccsc1C(=O)C1CSC1 405103453 346657663 /nfs/dbraw/zinc/65/76/63/346657663.db2.gz XGYJLZORVSOZPA-UHFFFAOYSA-N 0 0 198.312 2.602 10 0 AFAERN CNc1cccc(-c2cnsc2)c1 405108613 346657742 /nfs/dbraw/zinc/65/77/42/346657742.db2.gz YLAHXJPTCFEKPJ-UHFFFAOYSA-N 0 0 190.271 2.852 10 0 AFAERN Cc1ccccc1C(=O)C1CSC1 405102899 346657750 /nfs/dbraw/zinc/65/77/50/346657750.db2.gz XAPWTDQUEQAWAO-UHFFFAOYSA-N 0 0 192.283 2.541 10 0 AFAERN CC(C)(CCSCCO)C1CC1 406009758 346677575 /nfs/dbraw/zinc/67/75/75/346677575.db2.gz UWRGEXNVSNDNCQ-UHFFFAOYSA-N 0 0 188.336 2.538 10 0 AFAERN C[C@@H]1CCC(=O)[C@H]([C@H]2CCSC2)C1 405476651 346666656 /nfs/dbraw/zinc/66/66/56/346666656.db2.gz MEBSGEOQQXNQDB-UTLUCORTSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1CCC(=O)[C@H]([C@@H]2CCSC2)C1 405476638 346666734 /nfs/dbraw/zinc/66/67/34/346666734.db2.gz MEBSGEOQQXNQDB-BBBLOLIVSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H]([C@@H]2CCSC2)C1 405476648 346666735 /nfs/dbraw/zinc/66/67/35/346666735.db2.gz MEBSGEOQQXNQDB-OPRDCNLKSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H]([C@H]2CCSC2)C1 405476644 346666901 /nfs/dbraw/zinc/66/69/01/346666901.db2.gz MEBSGEOQQXNQDB-KXUCPTDWSA-N 0 0 198.331 2.745 10 0 AFAERN O=C1CCCCC[C@H]1[C@@H]1CCSC1 405520510 346667152 /nfs/dbraw/zinc/66/71/52/346667152.db2.gz VNHMNBZXYKFSAO-ZJUUUORDSA-N 0 0 198.331 2.889 10 0 AFAERN O=C1CCCCC[C@@H]1[C@H]1CCSC1 405520509 346667193 /nfs/dbraw/zinc/66/71/93/346667193.db2.gz VNHMNBZXYKFSAO-VHSXEESVSA-N 0 0 198.331 2.889 10 0 AFAERN O=C1CCCCC[C@H]1[C@H]1CCSC1 405520508 346667352 /nfs/dbraw/zinc/66/73/52/346667352.db2.gz VNHMNBZXYKFSAO-UWVGGRQHSA-N 0 0 198.331 2.889 10 0 AFAERN C[C@@H]1OC[C@@H](Nc2ccsc2)[C@H]1C 405554103 346667681 /nfs/dbraw/zinc/66/76/81/346667681.db2.gz DAPCSWLJKVTMLU-OYNCUSHFSA-N 0 0 197.303 2.583 10 0 AFAERN C[C@@H]1OC[C@@H](Nc2ccsc2)[C@@H]1C 405554099 346667897 /nfs/dbraw/zinc/66/78/97/346667897.db2.gz DAPCSWLJKVTMLU-KHQFGBGNSA-N 0 0 197.303 2.583 10 0 AFAERN C[C@@H]1OC[C@H](Nc2ccsc2)[C@H]1C 405554101 346668030 /nfs/dbraw/zinc/66/80/30/346668030.db2.gz DAPCSWLJKVTMLU-NRPADANISA-N 0 0 197.303 2.583 10 0 AFAERN CC(C)(C)Oc1ccccc1F 575154787 346713562 /nfs/dbraw/zinc/71/35/62/346713562.db2.gz JJEFXLWCRNOOSK-UHFFFAOYSA-N 0 0 167.203 2.912 10 0 AFAERN CCCOc1ccccc1C 575154684 346713636 /nfs/dbraw/zinc/71/36/36/346713636.db2.gz DSZJXMXQEPNVGN-UHFFFAOYSA-N 0 0 149.213 2.616 10 0 AFAERN CC[S@@](C)(=O)=Nc1ccccc1C 536951828 346712305 /nfs/dbraw/zinc/71/23/05/346712305.db2.gz XNMWPYKFRRQUJT-CYBMUJFWSA-N 0 0 197.303 2.744 10 0 AFAERN CC[S@](C)(=O)=Nc1ccccc1C 536951829 346712510 /nfs/dbraw/zinc/71/25/10/346712510.db2.gz XNMWPYKFRRQUJT-ZDUSSCGKSA-N 0 0 197.303 2.744 10 0 AFAERN CCCOc1ccc(C)cc1 575154729 346713465 /nfs/dbraw/zinc/71/34/65/346713465.db2.gz GRZZCRDTCOOUND-UHFFFAOYSA-N 0 0 149.213 2.616 10 0 AFAERN CC(C)Oc1ccccc1F 575154689 346713466 /nfs/dbraw/zinc/71/34/66/346713466.db2.gz DVDFROIYKWLXRR-UHFFFAOYSA-N 0 0 153.176 2.522 10 0 AFAERN FC(F)(F)Oc1ccc(Cl)cc1 575154746 346713414 /nfs/dbraw/zinc/71/34/14/346713414.db2.gz IKNBPQNYRULQQG-UHFFFAOYSA-N 0 0 195.547 2.902 10 0 AFAERN CC[C@@H](C)Oc1ccccc1OC 575154714 346713416 /nfs/dbraw/zinc/71/34/16/346713416.db2.gz GDZOGYIVEONNCG-SECBINFHSA-N 0 0 179.239 2.589 10 0 AFAERN Fc1cc(Cl)ccc1Cl 575154720 346713422 /nfs/dbraw/zinc/71/34/22/346713422.db2.gz GOISICQIUBQTSG-UHFFFAOYSA-N 0 0 163.986 2.902 10 0 AFAERN CCCOc1cccc(F)c1F 575154654 346713427 /nfs/dbraw/zinc/71/34/27/346713427.db2.gz DAYXNBPZAGCEKB-UHFFFAOYSA-N 0 0 171.166 2.820 10 0 AFAERN FC(F)C(F)(F)Oc1ccccc1 575150612 346713432 /nfs/dbraw/zinc/71/34/32/346713432.db2.gz RCWLQMVDWRBVOQ-UHFFFAOYSA-N 0 0 193.119 2.674 10 0 AFAERN CC[C@@H](C)Oc1ccc(OC)cc1 575154593 346713441 /nfs/dbraw/zinc/71/34/41/346713441.db2.gz BMRCJOKCDLRUDJ-SECBINFHSA-N 0 0 179.239 2.589 10 0 AFAERN CCCCOc1ccccc1F 575154624 346713446 /nfs/dbraw/zinc/71/34/46/346713446.db2.gz CLGQESRLYWBSAU-UHFFFAOYSA-N 0 0 167.203 2.913 10 0 AFAERN CC[C@H](C)Oc1ccc(OC)cc1 575154597 346713448 /nfs/dbraw/zinc/71/34/48/346713448.db2.gz BMRCJOKCDLRUDJ-VIFPVBQESA-N 0 0 179.239 2.589 10 0 AFAERN CCCOc1cccc(C)c1 575154754 346713453 /nfs/dbraw/zinc/71/34/53/346713453.db2.gz IZNIVPUDSWCZSK-UHFFFAOYSA-N 0 0 149.213 2.616 10 0 AFAERN CC(C)CCOc1ccccc1 575154750 346713498 /nfs/dbraw/zinc/71/34/98/346713498.db2.gz IWAFZWLMLFXUOJ-UHFFFAOYSA-N 0 0 163.240 2.862 10 0 AFAERN FC(F)(F)c1ccccc1Cl 575154768 346713503 /nfs/dbraw/zinc/71/35/03/346713503.db2.gz GGQFSTRBMWJHCT-UHFFFAOYSA-N 0 0 179.548 2.971 10 0 AFAERN C[Si](C)(C)c1ccccc1 575154795 346713518 /nfs/dbraw/zinc/71/35/18/346713518.db2.gz KWQQCCMIAAKLIG-UHFFFAOYSA-N 0 0 149.289 2.719 10 0 AFAERN CCCOc1ccccc1F 575154797 346713532 /nfs/dbraw/zinc/71/35/32/346713532.db2.gz KENKUMSPQYDVAY-UHFFFAOYSA-N 0 0 153.176 2.523 10 0 AFAERN CC(C)(C)Oc1cccc(F)c1 575154668 346713534 /nfs/dbraw/zinc/71/35/34/346713534.db2.gz DPMRMPJHNQYESE-UHFFFAOYSA-N 0 0 167.203 2.912 10 0 AFAERN COc1ccccc1OC(C)(C)C 575154705 346713545 /nfs/dbraw/zinc/71/35/45/346713545.db2.gz FYBKBEMKFQALAN-UHFFFAOYSA-N 0 0 179.239 2.589 10 0 AFAERN CC(C)Oc1cccc(F)c1F 575154788 346713551 /nfs/dbraw/zinc/71/35/51/346713551.db2.gz JJIRZOICVUBPQX-UHFFFAOYSA-N 0 0 171.166 2.819 10 0 AFAERN CCCCOCc1ccccc1 575154685 346713558 /nfs/dbraw/zinc/71/35/58/346713558.db2.gz DTSPHTKKAKFLQP-UHFFFAOYSA-N 0 0 163.240 2.659 10 0 AFAERN CC[C@H](C)Oc1ccccc1OC 575154715 346713571 /nfs/dbraw/zinc/71/35/71/346713571.db2.gz GDZOGYIVEONNCG-VIFPVBQESA-N 0 0 179.239 2.589 10 0 AFAERN CC(C)Oc1c(F)cccc1F 575154599 346713573 /nfs/dbraw/zinc/71/35/73/346713573.db2.gz BQADNJXRLIGYQA-UHFFFAOYSA-N 0 0 171.166 2.819 10 0 AFAERN Cc1ccccc1C(F)(F)F 575154778 346713582 /nfs/dbraw/zinc/71/35/82/346713582.db2.gz JSQPPMRMDMFKJT-UHFFFAOYSA-N 0 0 159.130 2.794 10 0 AFAERN CCOc1c(C)cccc1C 575154620 346713588 /nfs/dbraw/zinc/71/35/88/346713588.db2.gz BTYKIZKGYZLCEW-UHFFFAOYSA-N 0 0 149.213 2.616 10 0 AFAERN CCCCOc1ccccc1F 575154613 346713591 /nfs/dbraw/zinc/71/35/91/346713591.db2.gz BTFSYHUREVBIRQ-UHFFFAOYSA-N 0 0 167.203 2.913 10 0 AFAERN FC(F)(F)c1ccc(Cl)cc1 575154675 346713608 /nfs/dbraw/zinc/71/36/08/346713608.db2.gz DRKFRLFAYZIFQH-UHFFFAOYSA-N 0 0 179.548 2.971 10 0 AFAERN CCc1ccccc1Cl 575154779 346713624 /nfs/dbraw/zinc/71/36/24/346713624.db2.gz JTMZMXUXQOLBJL-UHFFFAOYSA-N 0 0 139.605 2.818 10 0 AFAERN Cc1ccc(C)n1-c1ccccc1 575154774 346713640 /nfs/dbraw/zinc/71/36/40/346713640.db2.gz INKOQCFXPDEBAB-UHFFFAOYSA-N 0 0 170.235 2.875 10 0 AFAERN CC(C)Oc1ccc(F)cc1 575154665 346713643 /nfs/dbraw/zinc/71/36/43/346713643.db2.gz DGZLMDCHWNVYIC-UHFFFAOYSA-N 0 0 153.176 2.522 10 0 AFAERN CCCCCOc1ccc(OC)cc1 575154680 346713674 /nfs/dbraw/zinc/71/36/74/346713674.db2.gz DRURJAKEPHZHBD-UHFFFAOYSA-N 0 0 193.266 2.980 10 0 AFAERN CC(C)COc1ccccc1F 575154690 346713681 /nfs/dbraw/zinc/71/36/81/346713681.db2.gz DVSIURNYDATPLC-UHFFFAOYSA-N 0 0 167.203 2.769 10 0 AFAERN CC(C)(C)Oc1ccc(F)cc1 575154801 346713961 /nfs/dbraw/zinc/71/39/61/346713961.db2.gz KJQYTBKXRPERHL-UHFFFAOYSA-N 0 0 167.203 2.912 10 0 AFAERN Fc1ccccc1OC(F)(F)F 575154849 346713922 /nfs/dbraw/zinc/71/39/22/346713922.db2.gz SEUOWUZJHRITNX-UHFFFAOYSA-N 0 0 179.092 2.633 10 0 AFAERN FC(F)(F)c1ccccc1Cl 575154809 346713946 /nfs/dbraw/zinc/71/39/46/346713946.db2.gz OEYYIRATJWYBPJ-UHFFFAOYSA-N 0 0 179.548 2.971 10 0 AFAERN Cc1cccc(OC(F)(F)F)c1 575154820 346713954 /nfs/dbraw/zinc/71/39/54/346713954.db2.gz QKKNMCRNXBYHGE-UHFFFAOYSA-N 0 0 175.129 2.726 10 0 AFAERN CCOc1cc(C)cc(C)c1 575154889 346713958 /nfs/dbraw/zinc/71/39/58/346713958.db2.gz OFQYTNNETKTAJS-UHFFFAOYSA-N 0 0 149.213 2.616 10 0 AFAERN FC(F)(F)c1cccc(Cl)c1 575154920 346713993 /nfs/dbraw/zinc/71/39/93/346713993.db2.gz ZAYDJPIADHHVJO-UHFFFAOYSA-N 0 0 179.548 2.971 10 0 AFAERN CCCCOc1cccc(F)c1 575154810 346714007 /nfs/dbraw/zinc/71/40/07/346714007.db2.gz KPHZPKZMVBKEEG-UHFFFAOYSA-N 0 0 167.203 2.913 10 0 AFAERN CCCOc1ccccc1C 575154826 346714023 /nfs/dbraw/zinc/71/40/23/346714023.db2.gz LHCNUEYVAIKBOV-UHFFFAOYSA-N 0 0 149.213 2.616 10 0 AFAERN CCOC(C)(OCC)c1ccccc1 575154885 346714024 /nfs/dbraw/zinc/71/40/24/346714024.db2.gz VXIGLWUZNWYQEB-UHFFFAOYSA-N 0 0 193.266 2.631 10 0 AFAERN Cc1ccnc2ccccc12 575154840 346714027 /nfs/dbraw/zinc/71/40/27/346714027.db2.gz RNZYWICZOWAYIC-UHFFFAOYSA-N 0 0 142.181 2.500 10 0 AFAERN Fc1cccc(F)c1Cl 575154821 346714042 /nfs/dbraw/zinc/71/40/42/346714042.db2.gz QQTZFYJYTIQQIC-UHFFFAOYSA-N 0 0 147.531 2.633 10 0 AFAERN CC[C@@H](C)Oc1ccccc1F 575154898 346714080 /nfs/dbraw/zinc/71/40/80/346714080.db2.gz OUKAHDQYNQKLRW-MRVPVSSYSA-N 0 0 167.203 2.912 10 0 AFAERN Cc1ccccc1OCC(C)C 575154876 346714121 /nfs/dbraw/zinc/71/41/21/346714121.db2.gz NTGZNSKHVLYSJT-UHFFFAOYSA-N 0 0 163.240 2.862 10 0 AFAERN CC(C)Oc1ccc(F)c(F)c1 575154852 346714145 /nfs/dbraw/zinc/71/41/45/346714145.db2.gz MOVKETUCYFRMCE-UHFFFAOYSA-N 0 0 171.166 2.819 10 0 AFAERN CCCSc1ccccc1 575154911 346714154 /nfs/dbraw/zinc/71/41/54/346714154.db2.gz PTZUBKRMXSHOJI-UHFFFAOYSA-N 0 0 151.254 2.943 10 0 AFAERN CCCCOc1ccc(OC)cc1 575154881 346714164 /nfs/dbraw/zinc/71/41/64/346714164.db2.gz OBXDATUGNKVHLU-UHFFFAOYSA-N 0 0 179.239 2.590 10 0 AFAERN Cc1cccc(C)c1F 575154872 346714171 /nfs/dbraw/zinc/71/41/71/346714171.db2.gz UPJSXJQXKKBUSO-UHFFFAOYSA-N 0 0 123.150 2.549 10 0 AFAERN Cc1ccccc1OC(C)C 575154859 346714188 /nfs/dbraw/zinc/71/41/88/346714188.db2.gz MWGVFRLJHZATFH-UHFFFAOYSA-N 0 0 149.213 2.615 10 0 AFAERN CCCOc1ccc(F)cc1F 575154892 346714201 /nfs/dbraw/zinc/71/42/01/346714201.db2.gz OPYHGUONTFBNQU-UHFFFAOYSA-N 0 0 171.166 2.820 10 0 AFAERN CC[C@H](C)Oc1ccccc1F 575154900 346714220 /nfs/dbraw/zinc/71/42/20/346714220.db2.gz OUKAHDQYNQKLRW-QMMMGPOBSA-N 0 0 167.203 2.912 10 0 AFAERN CCCCOc1ccccc1OC 575154871 346714247 /nfs/dbraw/zinc/71/42/47/346714247.db2.gz NNEOHJCAOXPXLY-UHFFFAOYSA-N 0 0 179.239 2.590 10 0 AFAERN CCCOc1c(F)cccc1F 575154967 346714639 /nfs/dbraw/zinc/71/46/39/346714639.db2.gz SYXROFOBZXXGAQ-UHFFFAOYSA-N 0 0 171.166 2.820 10 0 AFAERN CC[C@@H](C)Oc1ccccc1F 575154987 346714551 /nfs/dbraw/zinc/71/45/51/346714551.db2.gz VIANNXXAUSBUNM-MRVPVSSYSA-N 0 0 167.203 2.912 10 0 AFAERN CC(C)Oc1ccc(F)cc1F 575154950 346714566 /nfs/dbraw/zinc/71/45/66/346714566.db2.gz RVQXEKVJKDHXNX-UHFFFAOYSA-N 0 0 171.166 2.819 10 0 AFAERN COc1ccc(Cl)cc1Cl 575155020 346714569 /nfs/dbraw/zinc/71/45/69/346714569.db2.gz XZSFGZSQZWBYFP-UHFFFAOYSA-N 0 0 176.022 2.579 10 0 AFAERN CC[C@@H](C)Oc1cccc(F)c1 575155006 346714589 /nfs/dbraw/zinc/71/45/89/346714589.db2.gz WXARMOAUGCVKLP-MRVPVSSYSA-N 0 0 167.203 2.912 10 0 AFAERN CCCOc1ccccc1F 575154939 346714594 /nfs/dbraw/zinc/71/45/94/346714594.db2.gz QQLMYUKJCJBUAS-UHFFFAOYSA-N 0 0 153.176 2.523 10 0 AFAERN CC(C)COc1ccccc1F 575155029 346714597 /nfs/dbraw/zinc/71/45/97/346714597.db2.gz YJUQUPCROXWVBQ-UHFFFAOYSA-N 0 0 167.203 2.769 10 0 AFAERN CCCOc1ccc(Cl)cc1 575154942 346714599 /nfs/dbraw/zinc/71/45/99/346714599.db2.gz RCSSCMGFUQLFOE-UHFFFAOYSA-N 0 0 169.631 2.793 10 0 AFAERN COc1ccc(OC(C)(C)C)cc1 575155038 346714620 /nfs/dbraw/zinc/71/46/20/346714620.db2.gz YZLTYBUUSXNXLA-UHFFFAOYSA-N 0 0 179.239 2.589 10 0 AFAERN CC[C@H](C)Oc1ccccc1F 575154988 346714629 /nfs/dbraw/zinc/71/46/29/346714629.db2.gz VIANNXXAUSBUNM-QMMMGPOBSA-N 0 0 167.203 2.912 10 0 AFAERN CC[C@H](C)Oc1ccc(F)cc1 575154957 346714630 /nfs/dbraw/zinc/71/46/30/346714630.db2.gz SDGVLKXPVOCECJ-QMMMGPOBSA-N 0 0 167.203 2.912 10 0 AFAERN CC(C)COc1ccc(F)cc1 575154973 346714637 /nfs/dbraw/zinc/71/46/37/346714637.db2.gz UASXKKYIGDQJQS-UHFFFAOYSA-N 0 0 167.203 2.769 10 0 AFAERN CC(C)Oc1ccccc1F 575155031 346714659 /nfs/dbraw/zinc/71/46/59/346714659.db2.gz YSFYANVJUWYHJG-UHFFFAOYSA-N 0 0 153.176 2.522 10 0 AFAERN CCCOc1ccc(F)cc1 575155004 346714672 /nfs/dbraw/zinc/71/46/72/346714672.db2.gz WOGBACSYCDIUHB-UHFFFAOYSA-N 0 0 153.176 2.523 10 0 AFAERN Cc1ccccc1OCC(C)C 575154982 346714677 /nfs/dbraw/zinc/71/46/77/346714677.db2.gz VBSRTIIFTRRPBF-UHFFFAOYSA-N 0 0 163.240 2.862 10 0 AFAERN CCCCOc1ccc(F)cc1 575155005 346714679 /nfs/dbraw/zinc/71/46/79/346714679.db2.gz WTSNKWQZTDPTIR-UHFFFAOYSA-N 0 0 167.203 2.913 10 0 AFAERN CC[C@H](C)Oc1ccccc1 575154977 346714681 /nfs/dbraw/zinc/71/46/81/346714681.db2.gz UJJZXQKZBMVPQC-VIFPVBQESA-N 0 0 149.213 2.615 10 0 AFAERN CC(C)Oc1cccc(F)c1 575154966 346714699 /nfs/dbraw/zinc/71/46/99/346714699.db2.gz SWEJESCGUCVQDU-UHFFFAOYSA-N 0 0 153.176 2.522 10 0 AFAERN CCCOc1ccc(F)c(F)c1 575155016 346714725 /nfs/dbraw/zinc/71/47/25/346714725.db2.gz XWXAOPYVYYMTHJ-UHFFFAOYSA-N 0 0 171.166 2.820 10 0 AFAERN CC(C)(C)Oc1ccccc1F 575155030 346714763 /nfs/dbraw/zinc/71/47/63/346714763.db2.gz YMKSTXQOYJXRPC-UHFFFAOYSA-N 0 0 167.203 2.912 10 0 AFAERN CC(C)COc1cccc(F)c1 575155009 346714784 /nfs/dbraw/zinc/71/47/84/346714784.db2.gz WZZWOJRFYOVKMR-UHFFFAOYSA-N 0 0 167.203 2.769 10 0 AFAERN Cc1cccc(OC(C)C)c1 575155000 346714788 /nfs/dbraw/zinc/71/47/88/346714788.db2.gz WECWMHKNXABRKU-UHFFFAOYSA-N 0 0 149.213 2.615 10 0 AFAERN Cc1ccc(OCC(C)C)cc1 575155002 346714798 /nfs/dbraw/zinc/71/47/98/346714798.db2.gz WIKTYAVTXFPGOE-UHFFFAOYSA-N 0 0 163.240 2.862 10 0 AFAERN CC[C@@H](C)Oc1ccccc1 575154976 346714802 /nfs/dbraw/zinc/71/48/02/346714802.db2.gz UJJZXQKZBMVPQC-SECBINFHSA-N 0 0 149.213 2.615 10 0 AFAERN CCCCCOc1ccccc1OC 575154952 346714806 /nfs/dbraw/zinc/71/48/06/346714806.db2.gz RYXZDKFPKIKNFA-UHFFFAOYSA-N 0 0 193.266 2.980 10 0 AFAERN CC(C)Oc1ccccc1Cl 575154979 346714855 /nfs/dbraw/zinc/71/48/55/346714855.db2.gz UJXQCDFNGITRQS-UHFFFAOYSA-N 0 0 169.631 2.791 10 0 AFAERN Cc1ccc(OC(C)C)cc1 575154947 346714808 /nfs/dbraw/zinc/71/48/08/346714808.db2.gz RRJVZOFIZBKIEA-UHFFFAOYSA-N 0 0 149.213 2.615 10 0 AFAERN CC[C@@H](C)Oc1ccc(F)cc1 575154956 346714812 /nfs/dbraw/zinc/71/48/12/346714812.db2.gz SDGVLKXPVOCECJ-MRVPVSSYSA-N 0 0 167.203 2.912 10 0 AFAERN c1ccc(COCc2ccco2)cc1 575154933 346714833 /nfs/dbraw/zinc/71/48/33/346714833.db2.gz YETOJEITRZZXCZ-UHFFFAOYSA-N 0 0 187.218 2.652 10 0 AFAERN CC[C@H](C)Oc1cccc(F)c1 575155007 346714850 /nfs/dbraw/zinc/71/48/50/346714850.db2.gz WXARMOAUGCVKLP-QMMMGPOBSA-N 0 0 167.203 2.912 10 0 AFAERN CCCOc1cccc(F)c1 575155042 346714869 /nfs/dbraw/zinc/71/48/69/346714869.db2.gz ZLNBZIKFJNLMMS-UHFFFAOYSA-N 0 0 153.176 2.523 10 0 AFAERN CC(=O)Nc1ccc(F)cc1C1CC1 584590916 346718909 /nfs/dbraw/zinc/71/89/09/346718909.db2.gz SLXYJZJXBKWTLN-UHFFFAOYSA-N 0 0 193.221 2.662 10 0 AFAERN Cc1ccc(C2(C)CC2)c(C=O)c1 584592327 346719190 /nfs/dbraw/zinc/71/91/90/346719190.db2.gz KYXSMIJNMDLOIW-UHFFFAOYSA-N 0 0 174.243 2.859 10 0 AFAERN Cc1ccc(C=O)c(C2(C)CC2)c1 584592814 346719235 /nfs/dbraw/zinc/71/92/35/346719235.db2.gz WQYYQSFQHDVLSY-UHFFFAOYSA-N 0 0 174.243 2.859 10 0 AFAERN CC1(c2ccc(F)cc2C=O)CC1 584592216 346719343 /nfs/dbraw/zinc/71/93/43/346719343.db2.gz JJTXFTXZNCIJAJ-UHFFFAOYSA-N 0 0 178.206 2.690 10 0 AFAERN COc1ccc(C=O)c(C2(C)CC2)c1 584592449 346719353 /nfs/dbraw/zinc/71/93/53/346719353.db2.gz MOMBZWXVNPAZEJ-UHFFFAOYSA-N 0 0 190.242 2.559 10 0 AFAERN CC(C)(C)Cc1ccc(N)cc1F 584592400 346719369 /nfs/dbraw/zinc/71/93/69/346719369.db2.gz CLQQBCGUVBDJNJ-UHFFFAOYSA-N 0 0 181.254 2.997 10 0 AFAERN CC1(c2cc(F)c(F)cc2C=O)CC1 584592517 346719412 /nfs/dbraw/zinc/71/94/12/346719412.db2.gz RSOMEDNPMSNZOS-UHFFFAOYSA-N 0 0 196.196 2.829 10 0 AFAERN CC1(c2cccc(F)c2C=O)CC1 584591669 346719439 /nfs/dbraw/zinc/71/94/39/346719439.db2.gz MJPYOYBFTIHEQQ-UHFFFAOYSA-N 0 0 178.206 2.690 10 0 AFAERN Nc1ccc(F)c(CC(F)(F)F)c1 584592914 346719489 /nfs/dbraw/zinc/71/94/89/346719489.db2.gz CHZFEYKPEHUDRE-UHFFFAOYSA-N 0 0 193.143 2.513 10 0 AFAERN CC1(c2cc(F)ccc2C=O)CC1 584592636 346719528 /nfs/dbraw/zinc/71/95/28/346719528.db2.gz XKWOMBYVDOVRNW-UHFFFAOYSA-N 0 0 178.206 2.690 10 0 AFAERN CC(C)[C@H]1Cc2c(N)cccc21 584599855 346719677 /nfs/dbraw/zinc/71/96/77/346719677.db2.gz TWXGOVWGDNZOEY-SECBINFHSA-N 0 0 161.248 2.565 10 0 AFAERN CCC1(CC)Cc2c(N)cccc21 584599837 346719684 /nfs/dbraw/zinc/71/96/84/346719684.db2.gz RRGGVKJYRZWYEE-UHFFFAOYSA-N 0 0 175.275 2.883 10 0 AFAERN Nc1cccc2c1C[C@H]2c1ccccc1 584599840 346719693 /nfs/dbraw/zinc/71/96/93/346719693.db2.gz RUXHAKHUUZSTOK-LBPRGKRZSA-N 0 0 195.265 2.957 10 0 AFAERN CC(C)[C@@H]1Cc2c(N)cccc21 584599856 346719716 /nfs/dbraw/zinc/71/97/16/346719716.db2.gz TWXGOVWGDNZOEY-VIFPVBQESA-N 0 0 161.248 2.565 10 0 AFAERN Nc1cccc2c1C[C@@H]2c1ccccc1 584599839 346719724 /nfs/dbraw/zinc/71/97/24/346719724.db2.gz RUXHAKHUUZSTOK-GFCCVEGCSA-N 0 0 195.265 2.957 10 0 AFAERN O=C1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 584599560 346719748 /nfs/dbraw/zinc/71/97/48/346719748.db2.gz BCVLPWFAXLGXEN-TUAOUCFPSA-N 0 0 186.254 2.769 10 0 AFAERN O=C1[C@H](c2ccccc2)[C@H]2CC[C@@H]1C2 584599559 346719847 /nfs/dbraw/zinc/71/98/47/346719847.db2.gz BCVLPWFAXLGXEN-QJPTWQEYSA-N 0 0 186.254 2.769 10 0 AFAERN CO[C@H]1C[C@@H]([Si](C)(C)C)C1 584601105 346720545 /nfs/dbraw/zinc/72/05/45/346720545.db2.gz NNXNNOIJKCUKSU-OCAPTIKFSA-N 0 0 158.317 2.504 10 0 AFAERN CCN1CC[C@@H]2CCc3cccc1c32 584601465 346720874 /nfs/dbraw/zinc/72/08/74/346720874.db2.gz UULYDXQHADLTHO-NSHDSACASA-N 0 0 187.286 2.946 10 0 AFAERN O=C(C1CCCCC1)[C@H]1CC1(F)F 584601397 346720883 /nfs/dbraw/zinc/72/08/83/346720883.db2.gz PHWMGAQUDRTLDY-MRVPVSSYSA-N 0 0 188.217 2.791 10 0 AFAERN CC(=O)SCC1(C)CC(F)(F)C1 584601644 346720909 /nfs/dbraw/zinc/72/09/09/346720909.db2.gz HHOSWALFFMUCDE-UHFFFAOYSA-N 0 0 194.246 2.702 10 0 AFAERN O=C(c1ccc(C(F)F)nc1)C1CC1 584602086 346720943 /nfs/dbraw/zinc/72/09/43/346720943.db2.gz OMUQJUCUAAVOHV-UHFFFAOYSA-N 0 0 197.184 2.612 10 0 AFAERN CCN1CC[C@H]2CCc3cccc1c32 584601464 346721070 /nfs/dbraw/zinc/72/10/70/346721070.db2.gz UULYDXQHADLTHO-LLVKDONJSA-N 0 0 187.286 2.946 10 0 AFAERN O=C(C1CCCCC1)[C@@H]1CC1(F)F 584601398 346721173 /nfs/dbraw/zinc/72/11/73/346721173.db2.gz PHWMGAQUDRTLDY-QMMMGPOBSA-N 0 0 188.217 2.791 10 0 AFAERN CCCC[C@@H]1O[C@H](CCCC)C1=O 584608691 346724482 /nfs/dbraw/zinc/72/44/82/346724482.db2.gz ALMRZHYBKXOEGH-AOOOYVTPSA-N 0 0 184.279 2.703 10 0 AFAERN CCOC(=O)C1C=C(C)C=CC(C)=C1 584604408 346721823 /nfs/dbraw/zinc/72/18/23/346721823.db2.gz ASGLLHZXAYXPEE-UHFFFAOYSA-N 0 0 192.258 2.628 10 0 AFAERN CCOC(=O)c1ccc([C@@H](C)F)cc1 584604506 346721830 /nfs/dbraw/zinc/72/18/30/346721830.db2.gz KBXSBNQMIAUMCB-MRVPVSSYSA-N 0 0 196.221 2.894 10 0 AFAERN CC(=O)c1ccc(F)c2occc12 584603812 346721849 /nfs/dbraw/zinc/72/18/49/346721849.db2.gz UVZRTDJSSDPMPH-UHFFFAOYSA-N 0 0 178.162 2.775 10 0 AFAERN C/C=C/N(CCCC)C(=O)OCC 584604510 346721931 /nfs/dbraw/zinc/72/19/31/346721931.db2.gz KGVBKYCVDCNLLQ-VMPITWQZSA-N 0 0 185.267 2.779 10 0 AFAERN CCOC(=O)c1ccc([C@H](C)F)cc1 584604508 346722146 /nfs/dbraw/zinc/72/21/46/346722146.db2.gz KBXSBNQMIAUMCB-QMMMGPOBSA-N 0 0 196.221 2.894 10 0 AFAERN CC(=O)c1ccc(C)c2occc12 584603622 346722235 /nfs/dbraw/zinc/72/22/35/346722235.db2.gz JKELVRKIVPODDC-UHFFFAOYSA-N 0 0 174.199 2.944 10 0 AFAERN CCOC(=O)c1oc(C)c(CC)c1C 584604496 346722264 /nfs/dbraw/zinc/72/22/64/346722264.db2.gz ISYYCSWJVSPZTE-UHFFFAOYSA-N 0 0 196.246 2.636 10 0 AFAERN C=Cc1c(C)cccc1NC(=O)OC 584606289 346722939 /nfs/dbraw/zinc/72/29/39/346722939.db2.gz NAQULVIDKVJQTH-UHFFFAOYSA-N 0 0 191.230 2.816 10 0 AFAERN CO[C@@](C)(c1ccccc1)C1CC1 584607257 346723241 /nfs/dbraw/zinc/72/32/41/346723241.db2.gz LBOBFPJQLXYXCJ-LBPRGKRZSA-N 0 0 176.259 2.958 10 0 AFAERN COC(=O)c1ccccc1[C@H](C)F 584606856 346723256 /nfs/dbraw/zinc/72/32/56/346723256.db2.gz FBNSTGMCSVAXRN-ZETCQYMHSA-N 0 0 182.194 2.504 10 0 AFAERN C=C=C(C1CC1)[Si](C)(C)C 584607229 346723260 /nfs/dbraw/zinc/72/32/60/346723260.db2.gz JEJJNIYWJXGHTQ-UHFFFAOYSA-N 0 0 152.313 2.985 10 0 AFAERN COC(=O)c1ccccc1[C@@H](C)F 584606855 346723287 /nfs/dbraw/zinc/72/32/87/346723287.db2.gz FBNSTGMCSVAXRN-SSDOTTSWSA-N 0 0 182.194 2.504 10 0 AFAERN CO[C@](C)(c1ccccc1)C1CC1 584607252 346723515 /nfs/dbraw/zinc/72/35/15/346723515.db2.gz LBOBFPJQLXYXCJ-GFCCVEGCSA-N 0 0 176.259 2.958 10 0 AFAERN c1ccc2c(c1)C[C@]1(CCCCO1)O2 584607628 346723854 /nfs/dbraw/zinc/72/38/54/346723854.db2.gz WEKTYJUZJSYPFN-LBPRGKRZSA-N 0 0 190.242 2.518 10 0 AFAERN C1=CC[C@H](Cc2ccccc2)OC1 584607635 346723923 /nfs/dbraw/zinc/72/39/23/346723923.db2.gz YGRKKYSIXJDLBR-GFCCVEGCSA-N 0 0 174.243 2.574 10 0 AFAERN Cc1ccc([C@@H]2OC(=O)C2(C)C)cc1 584607520 346723974 /nfs/dbraw/zinc/72/39/74/346723974.db2.gz NBNVUASTWBEEBW-JTQLQIEISA-N 0 0 190.242 2.619 10 0 AFAERN Cc1ccc([C@H]2OC(=O)C2(C)C)cc1 584607522 346724008 /nfs/dbraw/zinc/72/40/08/346724008.db2.gz NBNVUASTWBEEBW-SNVBAGLBSA-N 0 0 190.242 2.619 10 0 AFAERN C1=CC[C@@H](Cc2ccccc2)OC1 584607636 346724023 /nfs/dbraw/zinc/72/40/23/346724023.db2.gz YGRKKYSIXJDLBR-LBPRGKRZSA-N 0 0 174.243 2.574 10 0 AFAERN c1ccc2c(c1)C[C@@]1(CCCCO1)O2 584607627 346724046 /nfs/dbraw/zinc/72/40/46/346724046.db2.gz WEKTYJUZJSYPFN-GFCCVEGCSA-N 0 0 190.242 2.518 10 0 AFAERN C[C@@H]1C[C@]12C=Cc1ccccc12 584608423 346724417 /nfs/dbraw/zinc/72/44/17/346724417.db2.gz QEBXIDYCRJNOAZ-BXKDBHETSA-N 0 0 156.228 2.991 10 0 AFAERN C/C=C(C)/C=C/C=C/C(=O)OCC 584607998 346724497 /nfs/dbraw/zinc/72/44/97/346724497.db2.gz DAMZFRSDOUYJMQ-LSDMPHRPSA-N 0 0 180.247 2.628 10 0 AFAERN C[C@@H]1CCC(c2ccc(F)cc2)=N1 584608450 346724594 /nfs/dbraw/zinc/72/45/94/346724594.db2.gz XHWLGVSCNFGESB-MRVPVSSYSA-N 0 0 177.222 2.797 10 0 AFAERN CCCC[C@@H]1O[C@@H](CCCC)C1=O 584608693 346724604 /nfs/dbraw/zinc/72/46/04/346724604.db2.gz ALMRZHYBKXOEGH-UWVGGRQHSA-N 0 0 184.279 2.703 10 0 AFAERN CCCC[C@H]1O[C@H](CCCC)C1=O 584608692 346724630 /nfs/dbraw/zinc/72/46/30/346724630.db2.gz ALMRZHYBKXOEGH-NXEZZACHSA-N 0 0 184.279 2.703 10 0 AFAERN C[C@@H]1C[C@H]1c1ccccc1C=O 584608447 346724640 /nfs/dbraw/zinc/72/46/40/346724640.db2.gz WOKOALOXWKBZKH-LDYMZIIASA-N 0 0 160.216 2.623 10 0 AFAERN C[C@H]1C[C@@H](C)O[C@@H](c2ccccc2)O1 584609178 346725055 /nfs/dbraw/zinc/72/50/55/346725055.db2.gz FRKWMMLFFMXPDS-PEGIJTEDSA-N 0 0 192.258 2.899 10 0 AFAERN FC(F)OCCCc1ccccc1 584608760 346725002 /nfs/dbraw/zinc/72/50/02/346725002.db2.gz BFTKTOATPHCDHO-UHFFFAOYSA-N 0 0 186.201 2.858 10 0 AFAERN CCCCC[C@@H]1C[C@H](C)CC(=O)O1 584609179 346725025 /nfs/dbraw/zinc/72/50/25/346725025.db2.gz GHFLPVFPWUUIED-VHSXEESVSA-N 0 0 184.279 2.908 10 0 AFAERN Cc1ccc2c(c1)[C@H](C)[C@H](C)OC2=O 584608921 346725033 /nfs/dbraw/zinc/72/50/33/346725033.db2.gz BZVWEUJIANSSCK-BDAKNGLRSA-N 0 0 190.242 2.657 10 0 AFAERN Cc1ccc2c(c1)C(=O)O[C@@H](C)[C@H]2C 584608910 346725123 /nfs/dbraw/zinc/72/51/23/346725123.db2.gz AUXHRUHAKPAFQQ-BDAKNGLRSA-N 0 0 190.242 2.657 10 0 AFAERN CCC[C@@H](C)[C@H](CC)OC(C)=O 584608953 346725146 /nfs/dbraw/zinc/72/51/46/346725146.db2.gz GOGLYCZLFJRNKE-SCZZXKLOSA-N 0 0 172.268 2.764 10 0 AFAERN CCC[C@H](C)[C@H](CC)OC(C)=O 584608954 346725158 /nfs/dbraw/zinc/72/51/58/346725158.db2.gz GOGLYCZLFJRNKE-WPRPVWTQSA-N 0 0 172.268 2.764 10 0 AFAERN C/C(=C\[N+](=O)[O-])c1ccccc1C 584609223 346725178 /nfs/dbraw/zinc/72/51/78/346725178.db2.gz ADOKEWZOTKPCEX-VQHVLOKHSA-N 0 0 177.203 2.633 10 0 AFAERN C=Cc1ccccc1/C=C/[N+](=O)[O-] 584609308 346725463 /nfs/dbraw/zinc/72/54/63/346725463.db2.gz HSRGEYPHDJQOHN-BQYQJAHWSA-N 0 0 175.187 2.577 10 0 AFAERN C=CC1=CCC[C@@H](C)[C@@H]1OCOC 584609345 346725469 /nfs/dbraw/zinc/72/54/69/346725469.db2.gz CEOPPWMNTGMOGK-KOLCDFICSA-N 0 0 182.263 2.518 10 0 AFAERN C(=C/n1ccnc1)\c1ccsc1 584609274 346725510 /nfs/dbraw/zinc/72/55/10/346725510.db2.gz GCMHISPCXQNUAT-DAFODLJHSA-N 0 0 176.244 2.573 10 0 AFAERN C1=CO[C@@H](/C=C/c2ccccn2)CC1 584609329 346725522 /nfs/dbraw/zinc/72/55/22/346725522.db2.gz HWHULIVAALXNJO-ABZNLYFFSA-N 0 0 187.242 2.788 10 0 AFAERN C1=CO[C@H](/C=C/c2ccccn2)CC1 584609330 346725529 /nfs/dbraw/zinc/72/55/29/346725529.db2.gz HWHULIVAALXNJO-GUOLPTJISA-N 0 0 187.242 2.788 10 0 AFAERN C=C/C=C/c1cccc(OC)c1OC 584609725 346725851 /nfs/dbraw/zinc/72/58/51/346725851.db2.gz XPCUJUMCHOVSGJ-FNORWQNLSA-N 0 0 190.242 2.903 10 0 AFAERN CCCCC/C=C/[C@@]1(C)CO1 584609893 346726012 /nfs/dbraw/zinc/72/60/12/346726012.db2.gz MSEZDXUGCDYFMZ-JARNTUPDSA-N 0 0 154.253 2.912 10 0 AFAERN CCCCC/C=C/[C@]1(C)CO1 584609894 346726041 /nfs/dbraw/zinc/72/60/41/346726041.db2.gz MSEZDXUGCDYFMZ-QROSGCPLSA-N 0 0 154.253 2.912 10 0 AFAERN CCc1ccc(/C=C/OC(C)=O)cc1 584609822 346726109 /nfs/dbraw/zinc/72/61/09/346726109.db2.gz ZZVFAFLRMLHQDK-CMDGGOBGSA-N 0 0 190.242 2.783 10 0 AFAERN C/C=C/[C@H](CCCCC)NC(C)=O 584610239 346726324 /nfs/dbraw/zinc/72/63/24/346726324.db2.gz QRAJWSMYQJWDQQ-AYLMVEPYSA-N 0 0 183.295 2.648 10 0 AFAERN COc1ccc(/C=C/C2CC2)cc1O 584609962 346726327 /nfs/dbraw/zinc/72/63/27/346726327.db2.gz BONXWBRGQUVQIR-SNAWJCMRSA-N 0 0 190.242 2.824 10 0 AFAERN CC(=O)O/C=C/c1ccc(C)cc1 584610143 346726389 /nfs/dbraw/zinc/72/63/89/346726389.db2.gz REIXANRJLBCUHQ-BQYQJAHWSA-N 0 0 176.215 2.529 10 0 AFAERN C/C=C/[C@@H](CCCCC)NC(C)=O 584610240 346726420 /nfs/dbraw/zinc/72/64/20/346726420.db2.gz QRAJWSMYQJWDQQ-BWNDKRECSA-N 0 0 183.295 2.648 10 0 AFAERN C/C=C/c1ccccc1C(=O)OCC 584610035 346726452 /nfs/dbraw/zinc/72/64/52/346726452.db2.gz KIDLSJXJMJPIKR-XVNBXDOJSA-N 0 0 190.242 2.896 10 0 AFAERN CC/C=C/NC(=O)c1ccc(C)cc1 584610111 346726461 /nfs/dbraw/zinc/72/64/61/346726461.db2.gz IKEXMMHLSUNEHE-RUDMXATFSA-N 0 0 189.258 2.649 10 0 AFAERN C/C=C/CCc1ccc2c(c1)OCO2 584609965 346726507 /nfs/dbraw/zinc/72/65/07/346726507.db2.gz CGPMCHKIIRZNMP-NSCUHMNNSA-N 0 0 190.242 2.924 10 0 AFAERN C=Cc1ccc([C@@H](C)OC(C)=O)cc1 584610359 346726985 /nfs/dbraw/zinc/72/69/85/346726985.db2.gz YWHHDZMJXSNFGD-SECBINFHSA-N 0 0 190.242 2.954 10 0 AFAERN C/C=C/[C@H]1O[C@@H]1c1ccccc1 584610471 346726965 /nfs/dbraw/zinc/72/69/65/346726965.db2.gz SYWGPHPITQGCDK-WCNLEEKSSA-N 0 0 160.216 2.703 10 0 AFAERN O=C1CCCC[C@@]1(F)c1ccccc1 584610489 346727005 /nfs/dbraw/zinc/72/70/05/346727005.db2.gz APWMDNBOYOKVFQ-GFCCVEGCSA-N 0 0 192.233 2.995 10 0 AFAERN CCCC/C=C\[C@H](CO)C(C)C 584610439 346727084 /nfs/dbraw/zinc/72/70/84/346727084.db2.gz LCFVJDQFJPJFNT-SKVAFPRGSA-N 0 0 170.296 2.997 10 0 AFAERN C/C=C/[C@H]1O[C@@H]1C1CCCCC1 584610470 346727109 /nfs/dbraw/zinc/72/71/09/346727109.db2.gz SSQICAVCBLWLAY-WCNLEEKSSA-N 0 0 166.264 2.910 10 0 AFAERN CC1=CC[C@H](/C(C)=C/[N+](=O)[O-])CC1 584610440 346727122 /nfs/dbraw/zinc/72/71/22/346727122.db2.gz LJSZHRQAYQWCNF-PCYYEKQGSA-N 0 0 181.235 2.913 10 0 AFAERN CC1=CC[C@H](/C(C)=C\[N+](=O)[O-])CC1 584610441 346727134 /nfs/dbraw/zinc/72/71/34/346727134.db2.gz LJSZHRQAYQWCNF-RNKPRXRFSA-N 0 0 181.235 2.913 10 0 AFAERN CCCc1cocc1[C@@H]1CCC(=O)O1 584610647 346727140 /nfs/dbraw/zinc/72/71/40/346727140.db2.gz BUVNGJFAYQWJAV-JTQLQIEISA-N 0 0 194.230 2.610 10 0 AFAERN CC(C)=C[C@]1(F)CCCCC1=O 584610566 346727151 /nfs/dbraw/zinc/72/71/51/346727151.db2.gz SRTNLMZYBUHGEO-SNVBAGLBSA-N 0 0 170.227 2.804 10 0 AFAERN COC(=O)[C@H](CC=C(C)C)C(C)C 584610481 346727184 /nfs/dbraw/zinc/72/71/84/346727184.db2.gz YBAPVFAVBIIYJN-SNVBAGLBSA-N 0 0 184.279 2.788 10 0 AFAERN O=C1CCCC[C@@]1(F)c1ccoc1 584610500 346727199 /nfs/dbraw/zinc/72/71/99/346727199.db2.gz FZVRRBYAKFPXBB-SNVBAGLBSA-N 0 0 182.194 2.588 10 0 AFAERN Fc1ccc([C@H]2CC2(F)F)cc1 584612919 346728494 /nfs/dbraw/zinc/72/84/94/346728494.db2.gz WVZLJVUQPGTVTN-MRVPVSSYSA-N 0 0 172.149 2.948 10 0 AFAERN Cc1ccccc1[C@@H]1C=CCO1 584610995 346727424 /nfs/dbraw/zinc/72/74/24/346727424.db2.gz QODOBEWQMGPQFR-NSHDSACASA-N 0 0 160.216 2.623 10 0 AFAERN O=C1O/C(=C\C2CC2)c2ccccc21 584611041 346727431 /nfs/dbraw/zinc/72/74/31/346727431.db2.gz BHZWUGCTCMKFOH-XFFZJAGNSA-N 0 0 186.210 2.608 10 0 AFAERN Cc1cccc(/C=C\n2ccnc2)c1 584610910 346727463 /nfs/dbraw/zinc/72/74/63/346727463.db2.gz CNOUWDUXLUYYPL-ALCCZGGFSA-N 0 0 184.242 2.819 10 0 AFAERN CC1=CC[C@@H](/C(C)=C/[N+](=O)[O-])CC1 584611050 346727508 /nfs/dbraw/zinc/72/75/08/346727508.db2.gz LJSZHRQAYQWCNF-TTZKWOQHSA-N 0 0 181.235 2.913 10 0 AFAERN O=Cc1ccc([C@@H]2C=CCC2)cc1 584610813 346727536 /nfs/dbraw/zinc/72/75/36/346727536.db2.gz SZZPDWIHEOTLNW-LLVKDONJSA-N 0 0 172.227 2.933 10 0 AFAERN CC[C@H](C)COC=C(C)C 584610765 346727656 /nfs/dbraw/zinc/72/76/56/346727656.db2.gz FSYPOKMVKOCOBI-VIFPVBQESA-N 0 0 142.242 2.973 10 0 AFAERN C(=C\n1ccnc1)\c1ccsc1 584610949 346727703 /nfs/dbraw/zinc/72/77/03/346727703.db2.gz GCMHISPCXQNUAT-RJRFIUFISA-N 0 0 176.244 2.573 10 0 AFAERN C1=CO[C@H](/C=C\c2ccccn2)CC1 584610969 346727743 /nfs/dbraw/zinc/72/77/43/346727743.db2.gz HWHULIVAALXNJO-KRZKBDHCSA-N 0 0 187.242 2.788 10 0 AFAERN Cc1ccccc1/C=C\n1ccnc1 584610964 346727747 /nfs/dbraw/zinc/72/77/47/346727747.db2.gz HHBOBGCMQRHARO-VURMDHGXSA-N 0 0 184.242 2.819 10 0 AFAERN C1=CO[C@@H](/C=C\c2ccccn2)CC1 584610970 346727800 /nfs/dbraw/zinc/72/78/00/346727800.db2.gz HWHULIVAALXNJO-QDZRJHCZSA-N 0 0 187.242 2.788 10 0 AFAERN O=C1CCCC[C@]1(F)c1ccccc1 584610744 346727804 /nfs/dbraw/zinc/72/78/04/346727804.db2.gz APWMDNBOYOKVFQ-LBPRGKRZSA-N 0 0 192.233 2.995 10 0 AFAERN CC1=CCc2ccccc2OC1 584611090 346727829 /nfs/dbraw/zinc/72/78/29/346727829.db2.gz FWZCNUGJGBFSFP-UHFFFAOYSA-N 0 0 160.216 2.568 10 0 AFAERN CC1=CC[C@@H](/C(C)=C\[N+](=O)[O-])CC1 584611051 346727831 /nfs/dbraw/zinc/72/78/31/346727831.db2.gz LJSZHRQAYQWCNF-UJICNMFASA-N 0 0 181.235 2.913 10 0 AFAERN CO/C=C(/C)CC(=O)c1ccccc1 584611944 346727994 /nfs/dbraw/zinc/72/79/94/346727994.db2.gz RPDOLPUCBMJQOH-KTKRTIGZSA-N 0 0 190.242 2.810 10 0 AFAERN CCC(C)=CC(=O)c1ccco1 584611255 346728070 /nfs/dbraw/zinc/72/80/70/346728070.db2.gz VDORLXIHNYVLRT-BAQGIRSFSA-N 0 0 164.204 2.819 10 0 AFAERN C/C=C\c1ccc(C(C)=O)c(OC)c1 584611197 346728016 /nfs/dbraw/zinc/72/80/16/346728016.db2.gz XAOJQOLGKDTXQY-PLNGDYQASA-N 0 0 190.242 2.931 10 0 AFAERN C/C=C\[C@H](CCCCC)NC(C)=O 584611722 346728047 /nfs/dbraw/zinc/72/80/47/346728047.db2.gz QRAJWSMYQJWDQQ-UIJKISKDSA-N 0 0 183.295 2.648 10 0 AFAERN C/C=C\c1ccccc1C(=O)OCC 584611535 346728051 /nfs/dbraw/zinc/72/80/51/346728051.db2.gz KIDLSJXJMJPIKR-CLTKARDFSA-N 0 0 190.242 2.896 10 0 AFAERN CC/C=C\NC(=O)c1ccc(C)cc1 584611546 346728059 /nfs/dbraw/zinc/72/80/59/346728059.db2.gz IKEXMMHLSUNEHE-WTKPLQERSA-N 0 0 189.258 2.649 10 0 AFAERN COc1ccccc1/C=C\F 584611133 346728065 /nfs/dbraw/zinc/72/80/65/346728065.db2.gz PBMCGMCNOOGHBJ-SREVYHEPSA-N 0 0 152.168 2.635 10 0 AFAERN C/C=C\[C@H](CO)c1ccc(Cl)cc1 584611156 346728096 /nfs/dbraw/zinc/72/80/96/346728096.db2.gz QIVHRQNQANXUAK-MXQLGCADSA-N 0 0 196.677 2.992 10 0 AFAERN C/C=C\NC(=O)c1ccc(Cl)cc1 584612000 346728135 /nfs/dbraw/zinc/72/81/35/346728135.db2.gz WMSADEUJAWCIJJ-UQCOIBPSSA-N 0 0 195.649 2.603 10 0 AFAERN CC(N)=CC(=O)c1ccccc1 584611264 346728176 /nfs/dbraw/zinc/72/81/76/346728176.db2.gz VYEGQPIEJBURFJ-DZQWHNKDSA-N 0 0 161.204 2.625 10 0 AFAERN C/C=C\[C@@H](CCCCC)NC(C)=O 584611721 346728333 /nfs/dbraw/zinc/72/83/33/346728333.db2.gz QRAJWSMYQJWDQQ-OFSNVTPPSA-N 0 0 183.295 2.648 10 0 AFAERN C[C@H]1CCCN1c1ccc(F)cc1 584613352 346728613 /nfs/dbraw/zinc/72/86/13/346728613.db2.gz DOZWHHGSDZIZHD-VIFPVBQESA-N 0 0 179.238 2.814 10 0 AFAERN CC(=O)c1ccc(C)c2c1O[C@@H](C)C2 584612776 346728706 /nfs/dbraw/zinc/72/87/06/346728706.db2.gz MCERPPLFRRWHBI-QMMMGPOBSA-N 0 0 190.242 2.521 10 0 AFAERN CC(=O)c1ccc(C)c2c1O[C@H](C)C2 584612775 346728742 /nfs/dbraw/zinc/72/87/42/346728742.db2.gz MCERPPLFRRWHBI-MRVPVSSYSA-N 0 0 190.242 2.521 10 0 AFAERN Cn1cc(C(=O)C(C)(C)C)cc1Cl 584613542 346728774 /nfs/dbraw/zinc/72/87/74/346728774.db2.gz PVLZUKNLKDQJMG-UHFFFAOYSA-N 0 0 199.681 2.907 10 0 AFAERN Cc1cc(Cl)c2nccc(C)c2n1 584615784 346729248 /nfs/dbraw/zinc/72/92/48/346729248.db2.gz GDVYMBLTKDAUIY-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN Nc1cc2c(cc1N)C1CCC2CC1 584615637 346729273 /nfs/dbraw/zinc/72/92/73/346729273.db2.gz XEIMBIKLKVPYSU-UHFFFAOYSA-N 0 0 188.274 2.606 10 0 AFAERN C=Cc1ccc2nc(Cl)ccc2n1 584615945 346729331 /nfs/dbraw/zinc/72/93/31/346729331.db2.gz YPABBQROHOYWJV-UHFFFAOYSA-N 0 0 190.633 2.926 10 0 AFAERN Cc1[nH]nc(C(C)(C)C)p1 584617025 346729870 /nfs/dbraw/zinc/72/98/70/346729870.db2.gz MIILVKIZBCANMD-UHFFFAOYSA-N 0 0 156.169 2.596 10 0 AFAERN CC[C@H]1Cc2ccc([C@@H](C)O)cc2C1 584618869 346729900 /nfs/dbraw/zinc/72/99/00/346729900.db2.gz XKXKBUPNLOEFHJ-ZJUUUORDSA-N 0 0 190.286 2.865 10 0 AFAERN CC(=O)n1cc(C)c2cc(C)ccc21 584617703 346729905 /nfs/dbraw/zinc/72/99/05/346729905.db2.gz KDCQMQYVQDOZQK-UHFFFAOYSA-N 0 0 187.242 2.918 10 0 AFAERN Fc1cc2c(cc1F)NCCCC2 584617218 346729927 /nfs/dbraw/zinc/72/99/27/346729927.db2.gz QXIVJKHPFVRSSS-UHFFFAOYSA-N 0 0 183.201 2.713 10 0 AFAERN CC[C@@H]1Cc2ccc([C@H](C)O)cc2C1 584618868 346729937 /nfs/dbraw/zinc/72/99/37/346729937.db2.gz XKXKBUPNLOEFHJ-VHSXEESVSA-N 0 0 190.286 2.865 10 0 AFAERN CC1(C)CCc2cc(N)cc(F)c21 584618152 346729952 /nfs/dbraw/zinc/72/99/52/346729952.db2.gz FIEJESIRHQGGGN-UHFFFAOYSA-N 0 0 179.238 2.632 10 0 AFAERN CC[C@@H]1Cc2ccc([C@@H](C)O)cc2C1 584618865 346729968 /nfs/dbraw/zinc/72/99/68/346729968.db2.gz XKXKBUPNLOEFHJ-NXEZZACHSA-N 0 0 190.286 2.865 10 0 AFAERN CC[C@H]1Cc2ccc([C@H](C)O)cc2C1 584618867 346729986 /nfs/dbraw/zinc/72/99/86/346729986.db2.gz XKXKBUPNLOEFHJ-UWVGGRQHSA-N 0 0 190.286 2.865 10 0 AFAERN Cn1cc(C2=NCCC2)c2ccccc21 584618556 346729989 /nfs/dbraw/zinc/72/99/89/346729989.db2.gz YOXYIYANVDOWQA-UHFFFAOYSA-N 0 0 198.269 2.761 10 0 AFAERN CC1(C)CCc2cc(O)cc(F)c21 584618565 346729993 /nfs/dbraw/zinc/72/99/93/346729993.db2.gz MJMDGEXCMYKOGV-UHFFFAOYSA-N 0 0 180.222 2.755 10 0 AFAERN C[C@H](c1ccc(F)cc1)n1ccnc1 584617293 346730163 /nfs/dbraw/zinc/73/01/63/346730163.db2.gz JWTXJKBGSHQCAQ-SECBINFHSA-N 0 0 190.221 2.632 10 0 AFAERN O=Cc1c[nH]c2c1ncc1ccccc12 584619842 346730701 /nfs/dbraw/zinc/73/07/01/346730701.db2.gz FKUVDIVOTQGCBF-UHFFFAOYSA-N 0 0 196.209 2.529 10 0 AFAERN C[C@@H](Nc1ccccn1)C(C)(C)F 584628641 346733791 /nfs/dbraw/zinc/73/37/91/346733791.db2.gz PXZSITOXTBPOBW-MRVPVSSYSA-N 0 0 182.242 2.630 10 0 AFAERN C[C@H](Nc1ccccn1)C(C)(C)F 584628642 346733969 /nfs/dbraw/zinc/73/39/69/346733969.db2.gz PXZSITOXTBPOBW-QMMMGPOBSA-N 0 0 182.242 2.630 10 0 AFAERN CCCCC[C@H](C)OC(=O)CC 584620624 346731284 /nfs/dbraw/zinc/73/12/84/346731284.db2.gz OUAGWRLMJCTMST-VIFPVBQESA-N 0 0 172.268 2.908 10 0 AFAERN CCCCC[C@@H](C)OC(=O)CC 584620622 346731293 /nfs/dbraw/zinc/73/12/93/346731293.db2.gz OUAGWRLMJCTMST-SECBINFHSA-N 0 0 172.268 2.908 10 0 AFAERN c1c[nH]c([C@@H]2C[C@H]3CC[C@@H]2C3)c1 584621912 346731508 /nfs/dbraw/zinc/73/15/08/346731508.db2.gz WADWEBKQUKVFJW-IVZWLZJFSA-N 0 0 161.248 2.918 10 0 AFAERN Cc1cc(C=O)sc1C1CC1 584630388 346735038 /nfs/dbraw/zinc/73/50/38/346735038.db2.gz UAMRDEGZNHKNGZ-UHFFFAOYSA-N 0 0 166.245 2.746 10 0 AFAERN Cc1nc2c(C)[nH]c(C)c2s1 584623214 346731837 /nfs/dbraw/zinc/73/18/37/346731837.db2.gz UTWRJYCXCYYVTL-UHFFFAOYSA-N 0 0 166.249 2.550 10 0 AFAERN CC[C@@H]1C=Cc2ccc(O)cc2O1 584625134 346732072 /nfs/dbraw/zinc/73/20/72/346732072.db2.gz DEDFIDKCZHCUGI-SNVBAGLBSA-N 0 0 176.215 2.576 10 0 AFAERN CC1=C(C)C[C@@H](C2CC2)OC1 584625121 346732254 /nfs/dbraw/zinc/73/22/54/346732254.db2.gz CFQAQFDLHGCDLA-JTQLQIEISA-N 0 0 152.237 2.522 10 0 AFAERN CC[C@@H]1C=Cc2c(C)cc(O)cc2O1 584625085 346732279 /nfs/dbraw/zinc/73/22/79/346732279.db2.gz APTOPDMVUAQJJA-SNVBAGLBSA-N 0 0 190.242 2.885 10 0 AFAERN CC[C@H]1C=Cc2c(O)cc(C)cc2O1 584625231 346732283 /nfs/dbraw/zinc/73/22/83/346732283.db2.gz KQRNEWRNMCRQDW-VIFPVBQESA-N 0 0 190.242 2.885 10 0 AFAERN Fc1ccc2nc3ccccc3n2c1 584625252 346732363 /nfs/dbraw/zinc/73/23/63/346732363.db2.gz FZDYSKCOEHYZRB-UHFFFAOYSA-N 0 0 186.189 2.627 10 0 AFAERN CC1=C(C)C[C@H](C2CC2)OC1 584625122 346732373 /nfs/dbraw/zinc/73/23/73/346732373.db2.gz CFQAQFDLHGCDLA-SNVBAGLBSA-N 0 0 152.237 2.522 10 0 AFAERN C1=CO[C@@H](C2CCCCC2)C1 584624803 346732376 /nfs/dbraw/zinc/73/23/76/346732376.db2.gz WXUGRPFNOMWPGL-SNVBAGLBSA-N 0 0 152.237 2.869 10 0 AFAERN C1=CO[C@H](C2CCCCC2)C1 584624802 346732379 /nfs/dbraw/zinc/73/23/79/346732379.db2.gz WXUGRPFNOMWPGL-JTQLQIEISA-N 0 0 152.237 2.869 10 0 AFAERN CC[C@@H]1C=Cc2c(O)cc(C)cc2O1 584625230 346732397 /nfs/dbraw/zinc/73/23/97/346732397.db2.gz KQRNEWRNMCRQDW-SECBINFHSA-N 0 0 190.242 2.885 10 0 AFAERN CC[C@H]1C=Cc2ccc(O)cc2O1 584625132 346732412 /nfs/dbraw/zinc/73/24/12/346732412.db2.gz DEDFIDKCZHCUGI-JTQLQIEISA-N 0 0 176.215 2.576 10 0 AFAERN O=NOCCC1CCCCC1 584624692 346732413 /nfs/dbraw/zinc/73/24/13/346732413.db2.gz FZUSEGSNNVFORQ-UHFFFAOYSA-N 0 0 157.213 2.655 10 0 AFAERN CC[C@H]1C=Cc2c(C)cc(O)cc2O1 584625080 346732422 /nfs/dbraw/zinc/73/24/22/346732422.db2.gz APTOPDMVUAQJJA-JTQLQIEISA-N 0 0 190.242 2.885 10 0 AFAERN Cc1nc(C2CC2)nc2ccccc12 584625435 346732624 /nfs/dbraw/zinc/73/26/24/346732624.db2.gz UPGUTKJSTMTWSE-UHFFFAOYSA-N 0 0 184.242 2.816 10 0 AFAERN CC[C@H]1C=Cc2ccc(OC)cc2O1 584625257 346732657 /nfs/dbraw/zinc/73/26/57/346732657.db2.gz MAZXXPYCIWLZBI-JTQLQIEISA-N 0 0 190.242 2.879 10 0 AFAERN CC[C@@H]1C=Cc2ccc(OC)cc2O1 584625259 346732676 /nfs/dbraw/zinc/73/26/76/346732676.db2.gz MAZXXPYCIWLZBI-SNVBAGLBSA-N 0 0 190.242 2.879 10 0 AFAERN CC[C@H]1C=Cc2ccc(O)c(C)c2O1 584625266 346732691 /nfs/dbraw/zinc/73/26/91/346732691.db2.gz NXIFVLUJEGJAJJ-JTQLQIEISA-N 0 0 190.242 2.885 10 0 AFAERN CO[C@H]1C=Cc2ccccc2S1 584626554 346733180 /nfs/dbraw/zinc/73/31/80/346733180.db2.gz MHGPNJYPBMAKDJ-SNVBAGLBSA-N 0 0 178.256 2.778 10 0 AFAERN CO[C@@H]1C=Cc2ccccc2S1 584626552 346733209 /nfs/dbraw/zinc/73/32/09/346733209.db2.gz MHGPNJYPBMAKDJ-JTQLQIEISA-N 0 0 178.256 2.778 10 0 AFAERN Cc1cccc(N[C@@H](C)C(C)(C)F)n1 584628621 346733611 /nfs/dbraw/zinc/73/36/11/346733611.db2.gz OQBHCMPEPUXIFU-VIFPVBQESA-N 0 0 196.269 2.939 10 0 AFAERN Cc1cccc(N[C@H](C)C(C)(C)F)n1 584628617 346733849 /nfs/dbraw/zinc/73/38/49/346733849.db2.gz OQBHCMPEPUXIFU-SECBINFHSA-N 0 0 196.269 2.939 10 0 AFAERN Cc1ccc(F)c(NCC(C)(C)C)n1 584628799 346733860 /nfs/dbraw/zinc/73/38/60/346733860.db2.gz VNSAFHSHNIUDPD-UHFFFAOYSA-N 0 0 196.269 2.987 10 0 AFAERN Cc1ccnc(NCC(C)(C)F)c1 584628912 346733889 /nfs/dbraw/zinc/73/38/89/346733889.db2.gz YXEXTTPFPHCYOA-UHFFFAOYSA-N 0 0 182.242 2.550 10 0 AFAERN c1ccc([C@H]2N=C2c2ccco2)cc1 584629668 346734343 /nfs/dbraw/zinc/73/43/43/346734343.db2.gz NPIBWRXTZJVURR-LLVKDONJSA-N 0 0 183.210 2.824 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C(F)F)CO2 584629643 346734383 /nfs/dbraw/zinc/73/43/83/346734383.db2.gz MKYKONXXLCZLNG-QMMMGPOBSA-N 0 0 184.185 2.736 10 0 AFAERN c1ccc([C@@H]2N=C2c2ccco2)cc1 584629670 346734397 /nfs/dbraw/zinc/73/43/97/346734397.db2.gz NPIBWRXTZJVURR-NSHDSACASA-N 0 0 183.210 2.824 10 0 AFAERN Cc1ccc2c(c1)[C@H](C(F)F)CO2 584629634 346734491 /nfs/dbraw/zinc/73/44/91/346734491.db2.gz MKYKONXXLCZLNG-MRVPVSSYSA-N 0 0 184.185 2.736 10 0 AFAERN C/C=C(/C)[C@](C)(O)/C(C)=C/C 584630712 346734866 /nfs/dbraw/zinc/73/48/66/346734866.db2.gz PPHDOWYKGIXOMD-FEVBYEMSSA-N 0 0 154.253 2.670 10 0 AFAERN C1=C[C@H]2c3ccccc3O[C@@H]2CC1 584630757 346735328 /nfs/dbraw/zinc/73/53/28/346735328.db2.gz UFXHGFDYVHKGLF-CMPLNLGQSA-N 0 0 172.227 2.881 10 0 AFAERN Cc1noc(C)c1Cc1cccs1 584630628 346734956 /nfs/dbraw/zinc/73/49/56/346734956.db2.gz LBGBPTPCGJYBMF-UHFFFAOYSA-N 0 0 193.271 2.944 10 0 AFAERN C[C@H]1C(=O)Oc2ccccc2C1(C)C 584630614 346735020 /nfs/dbraw/zinc/73/50/20/346735020.db2.gz DOWRGUOEFAZXRD-QMMMGPOBSA-N 0 0 190.242 2.519 10 0 AFAERN C/C=C(/C)[C@@](C)(O)/C(C)=C/C 584630713 346735047 /nfs/dbraw/zinc/73/50/47/346735047.db2.gz PPHDOWYKGIXOMD-MEKDIOBGSA-N 0 0 154.253 2.670 10 0 AFAERN Cc1cccc2c1CC(C)(C)C(=O)N2 584630702 346735060 /nfs/dbraw/zinc/73/50/60/346735060.db2.gz NBFGOVVRVWFVGZ-UHFFFAOYSA-N 0 0 189.258 2.516 10 0 AFAERN C[C@@H]1C(=O)Oc2ccccc2C1(C)C 584630613 346735130 /nfs/dbraw/zinc/73/51/30/346735130.db2.gz DOWRGUOEFAZXRD-MRVPVSSYSA-N 0 0 190.242 2.519 10 0 AFAERN C1=C[C@H]2c3ccccc3O[C@H]2CC1 584630761 346735295 /nfs/dbraw/zinc/73/52/95/346735295.db2.gz UFXHGFDYVHKGLF-JQWIXIFHSA-N 0 0 172.227 2.881 10 0 AFAERN C1=C[C@@H]2c3ccccc3O[C@@H]2CC1 584630764 346735439 /nfs/dbraw/zinc/73/54/39/346735439.db2.gz UFXHGFDYVHKGLF-ZYHUDNBSSA-N 0 0 172.227 2.881 10 0 AFAERN C1=C[C@@H]2c3ccccc3O[C@H]2CC1 584630762 346735443 /nfs/dbraw/zinc/73/54/43/346735443.db2.gz UFXHGFDYVHKGLF-PWSUYJOCSA-N 0 0 172.227 2.881 10 0 AFAERN CCCCC/C=C/N1CCOC1=O 584630830 346735524 /nfs/dbraw/zinc/73/55/24/346735524.db2.gz QIKYSTLNHKPVEC-VOTSOKGWSA-N 0 0 183.251 2.533 10 0 AFAERN Cc1ccc2c(c1)NC(=O)C(C)(C)C2 584630779 346735555 /nfs/dbraw/zinc/73/55/55/346735555.db2.gz XXXNOSKVQUSBLT-UHFFFAOYSA-N 0 0 189.258 2.516 10 0 AFAERN C=C=C[C@@](O)(CC)c1ccccc1 584631607 346735761 /nfs/dbraw/zinc/73/57/61/346735761.db2.gz BOVHWAXZEHHLBL-LBPRGKRZSA-N 0 0 174.243 2.625 10 0 AFAERN Cc1ccc([C@@H]2C[C@H](C)C(=O)O2)cc1 584631525 346735786 /nfs/dbraw/zinc/73/57/86/346735786.db2.gz FPRWWXGWFZSLGE-ONGXEEELSA-N 0 0 190.242 2.619 10 0 AFAERN C=C=C[C@](O)(CC)c1ccccc1 584631606 346735789 /nfs/dbraw/zinc/73/57/89/346735789.db2.gz BOVHWAXZEHHLBL-GFCCVEGCSA-N 0 0 174.243 2.625 10 0 AFAERN Cc1ccc2occ(Cl)c(=O)c2c1 584631473 346735802 /nfs/dbraw/zinc/73/58/02/346735802.db2.gz UPFYBLBNUFUXDX-UHFFFAOYSA-N 0 0 194.617 2.755 10 0 AFAERN CC(C)O[C@@H]1COc2ccccc21 584631874 346735810 /nfs/dbraw/zinc/73/58/10/346735810.db2.gz ANBLDNUGXMUZDF-LLVKDONJSA-N 0 0 178.231 2.545 10 0 AFAERN CC(C)O[C@H]1COc2ccccc21 584631883 346735814 /nfs/dbraw/zinc/73/58/14/346735814.db2.gz ANBLDNUGXMUZDF-NSHDSACASA-N 0 0 178.231 2.545 10 0 AFAERN Cc1ccc([C@H]2C[C@@H](C)C(=O)O2)cc1 584631524 346735833 /nfs/dbraw/zinc/73/58/33/346735833.db2.gz FPRWWXGWFZSLGE-MWLCHTKSSA-N 0 0 190.242 2.619 10 0 AFAERN S=c1onc(-c2ccccc2)o1 584631642 346735835 /nfs/dbraw/zinc/73/58/35/346735835.db2.gz HADMZVNMULSKOO-UHFFFAOYSA-N 0 0 179.200 2.664 10 0 AFAERN Cn1cc(Cl)c2cc(F)ccc21 584631461 346735860 /nfs/dbraw/zinc/73/58/60/346735860.db2.gz RNSONAQBALQWOG-UHFFFAOYSA-N 0 0 183.613 2.971 10 0 AFAERN Cc1ccc([C@H]2C[C@H](C)C(=O)O2)cc1 584631522 346735873 /nfs/dbraw/zinc/73/58/73/346735873.db2.gz FPRWWXGWFZSLGE-GXSJLCMTSA-N 0 0 190.242 2.619 10 0 AFAERN Cc1ccc([C@@H]2C[C@@H](C)C(=O)O2)cc1 584631523 346735981 /nfs/dbraw/zinc/73/59/81/346735981.db2.gz FPRWWXGWFZSLGE-KOLCDFICSA-N 0 0 190.242 2.619 10 0 AFAERN C[C@H]1C[C@@H](c2ccccc2F)CO1 584633428 346736506 /nfs/dbraw/zinc/73/65/06/346736506.db2.gz FSAKKQNFRXGSNQ-DTWKUNHWSA-N 0 0 180.222 2.718 10 0 AFAERN C[C@H]1C[C@H](c2ccccc2F)CO1 584633429 346736511 /nfs/dbraw/zinc/73/65/11/346736511.db2.gz FSAKKQNFRXGSNQ-IUCAKERBSA-N 0 0 180.222 2.718 10 0 AFAERN CC(C)CC(=S)N1CCCCC1 584632393 346736522 /nfs/dbraw/zinc/73/65/22/346736522.db2.gz XKGPYQXARXLQRN-UHFFFAOYSA-N 0 0 185.336 2.846 10 0 AFAERN CCSc1c(C)nc2ccccn12 584632554 346736539 /nfs/dbraw/zinc/73/65/39/346736539.db2.gz XQIYNHSZGLGSMX-UHFFFAOYSA-N 0 0 192.287 2.755 10 0 AFAERN C[C@@H]1C[C@H](c2ccccc2F)CO1 584633427 346736575 /nfs/dbraw/zinc/73/65/75/346736575.db2.gz FSAKKQNFRXGSNQ-BDAKNGLRSA-N 0 0 180.222 2.718 10 0 AFAERN C[C@@H]1C[C@@H](c2ccccc2F)CO1 584633430 346736602 /nfs/dbraw/zinc/73/66/02/346736602.db2.gz FSAKKQNFRXGSNQ-RKDXNWHRSA-N 0 0 180.222 2.718 10 0 AFAERN Oc1ccc(CCCC2CC2)nc1 584633837 346736606 /nfs/dbraw/zinc/73/66/06/346736606.db2.gz OHOBEJDAIXKMSB-UHFFFAOYSA-N 0 0 177.247 2.520 10 0 AFAERN CCO[C@@H]1CCc2sccc21 584635843 346737169 /nfs/dbraw/zinc/73/71/69/346737169.db2.gz CILQLFBLECSJQY-MRVPVSSYSA-N 0 0 168.261 2.772 10 0 AFAERN Cc1ccc([C@@H]2CC=CCC2)c(=O)o1 584635961 346737223 /nfs/dbraw/zinc/73/72/23/346737223.db2.gz ZOMZJBZCKOHSJX-SNVBAGLBSA-N 0 0 190.242 2.772 10 0 AFAERN Cc1ccc([C@H](C)O)c2ccoc12 584635530 346737306 /nfs/dbraw/zinc/73/73/06/346737306.db2.gz UMFIACSEQQMNLK-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN Cc1ccc([C@H]2CC=CCC2)c(=O)o1 584635957 346737363 /nfs/dbraw/zinc/73/73/63/346737363.db2.gz ZOMZJBZCKOHSJX-JTQLQIEISA-N 0 0 190.242 2.772 10 0 AFAERN CCO[C@H]1CCc2sccc21 584635844 346737372 /nfs/dbraw/zinc/73/73/72/346737372.db2.gz CILQLFBLECSJQY-QMMMGPOBSA-N 0 0 168.261 2.772 10 0 AFAERN C[C@@H](O)c1ccc(F)c2occc12 584635541 346737398 /nfs/dbraw/zinc/73/73/98/346737398.db2.gz ZDMXKJFPSBUURA-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN CC(C)=CNC(=O)c1ccc(C)cc1 584636010 346737409 /nfs/dbraw/zinc/73/74/09/346737409.db2.gz OHLZUGHUUKDLTP-UHFFFAOYSA-N 0 0 189.258 2.649 10 0 AFAERN Cc1ccc([C@@H](C)O)c2ccoc12 584635529 346737416 /nfs/dbraw/zinc/73/74/16/346737416.db2.gz UMFIACSEQQMNLK-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN C[Si](C)(C)CCc1ccncc1 584635805 346737470 /nfs/dbraw/zinc/73/74/70/346737470.db2.gz YAQDXUAFKFGMIG-UHFFFAOYSA-N 0 0 179.339 2.962 10 0 AFAERN CC[C@H]1OCCc2sccc21 584635904 346737544 /nfs/dbraw/zinc/73/75/44/346737544.db2.gz OAZHCIPJPAZXNC-MRVPVSSYSA-N 0 0 168.261 2.772 10 0 AFAERN CC[C@@H]1OCCc2sccc21 584635905 346737597 /nfs/dbraw/zinc/73/75/97/346737597.db2.gz OAZHCIPJPAZXNC-QMMMGPOBSA-N 0 0 168.261 2.772 10 0 AFAERN CC1(C)CCC(=O)Oc2ccccc21 584636537 346737932 /nfs/dbraw/zinc/73/79/32/346737932.db2.gz DILXRJGUYBRCHK-UHFFFAOYSA-N 0 0 190.242 2.663 10 0 AFAERN CC1=NCCOc2cc(C)cc(C)c21 584636565 346737966 /nfs/dbraw/zinc/73/79/66/346737966.db2.gz LRSYPEJXCRQRCV-UHFFFAOYSA-N 0 0 189.258 2.505 10 0 AFAERN COC(=O)C/C=C(\C)c1ccccc1 584636492 346737992 /nfs/dbraw/zinc/73/79/92/346737992.db2.gz UFWOJHVUAUNDOQ-CSKARUKUSA-N 0 0 190.242 2.653 10 0 AFAERN CC1(C)CCc2cc(C=O)sc21 584636303 346738049 /nfs/dbraw/zinc/73/80/49/346738049.db2.gz CZNFCWFCXHNGKP-UHFFFAOYSA-N 0 0 180.272 2.784 10 0 AFAERN C1CO[C@@H]2C3C[C@@H]4C[C@H](C3)CC2(C1)C4 584638223 346738490 /nfs/dbraw/zinc/73/84/90/346738490.db2.gz HECUQWDEXYLWNM-IJLVLRJLSA-N 0 0 192.302 2.992 10 0 AFAERN C1CO[C@H]2C3C[C@@H]4C[C@H](C3)CC2(C1)C4 584638226 346738631 /nfs/dbraw/zinc/73/86/31/346738631.db2.gz HECUQWDEXYLWNM-SZQBSXBZSA-N 0 0 192.302 2.992 10 0 AFAERN COc1cccc2c1CC=C[C@H]2C 584638953 346738845 /nfs/dbraw/zinc/73/88/45/346738845.db2.gz YZYZABNHXORTSK-SECBINFHSA-N 0 0 174.243 2.911 10 0 AFAERN COc1cccc2c1CC=C[C@@H]2C 584638954 346738859 /nfs/dbraw/zinc/73/88/59/346738859.db2.gz YZYZABNHXORTSK-VIFPVBQESA-N 0 0 174.243 2.911 10 0 AFAERN CC[C@@H]1OCCc2ccsc21 584640149 346739147 /nfs/dbraw/zinc/73/91/47/346739147.db2.gz JNYDFIOEDAOITB-QMMMGPOBSA-N 0 0 168.261 2.772 10 0 AFAERN CCC[C@H]1Cc2ccsc2C1=O 584640205 346739178 /nfs/dbraw/zinc/73/91/78/346739178.db2.gz ROFVGEWLZVETAR-ZETCQYMHSA-N 0 0 180.272 2.903 10 0 AFAERN COc1ccc(F)c2nc(C)ccc12 584640940 346739222 /nfs/dbraw/zinc/73/92/22/346739222.db2.gz UNPLQAGUEXIURZ-UHFFFAOYSA-N 0 0 191.205 2.691 10 0 AFAERN Fc1ccc(F)c(C(=S)S)c1 584641456 346739233 /nfs/dbraw/zinc/73/92/33/346739233.db2.gz VXODJNYNPSRSIK-UHFFFAOYSA-N 0 0 190.239 2.570 10 0 AFAERN CCn1c2ccccc2c2c(C)n[nH]c21 584640969 346739280 /nfs/dbraw/zinc/73/92/80/346739280.db2.gz ZRMRMBWQZAVCQT-UHFFFAOYSA-N 0 0 199.257 2.846 10 0 AFAERN COc1ccc2c(c1)[C@@H](C)C=CC2 584640239 346739296 /nfs/dbraw/zinc/73/92/96/346739296.db2.gz IPDCPTPHXRRSST-VIFPVBQESA-N 0 0 174.243 2.911 10 0 AFAERN Cc1ccc(-c2ccc(C)[n+]([O-])c2)cc1 584642117 346739321 /nfs/dbraw/zinc/73/93/21/346739321.db2.gz JOHQJGTZVXXBCT-UHFFFAOYSA-N 0 0 199.253 2.604 10 0 AFAERN c1occ2c1Cc1cscc1-2 584640364 346739339 /nfs/dbraw/zinc/73/93/39/346739339.db2.gz UBQVESCGSFSZCO-UHFFFAOYSA-N 0 0 162.213 2.912 10 0 AFAERN Cc1ccc2c(c1)cc1cc[nH]c(=O)n12 584640173 346739357 /nfs/dbraw/zinc/73/93/57/346739357.db2.gz FDFAEXXVPVAGDC-UHFFFAOYSA-N 0 0 198.225 2.502 10 0 AFAERN COc1ccc2c(c1)[C@H](C)C=CC2 584640238 346739375 /nfs/dbraw/zinc/73/93/75/346739375.db2.gz IPDCPTPHXRRSST-SECBINFHSA-N 0 0 174.243 2.911 10 0 AFAERN CC[C@H]1OCCc2ccsc21 584640148 346739385 /nfs/dbraw/zinc/73/93/85/346739385.db2.gz JNYDFIOEDAOITB-MRVPVSSYSA-N 0 0 168.261 2.772 10 0 AFAERN CCC[C@@H]1Cc2ccsc2C1=O 584640198 346739423 /nfs/dbraw/zinc/73/94/23/346739423.db2.gz ROFVGEWLZVETAR-SSDOTTSWSA-N 0 0 180.272 2.903 10 0 AFAERN C[C@@H]1C[C@@H](C2CCCCC2)OC1=O 584643788 346739949 /nfs/dbraw/zinc/73/99/49/346739949.db2.gz CEMLNAQXGRUKIA-SCZZXKLOSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)(F)c1ncc(O)cc1Cl 584643367 346739957 /nfs/dbraw/zinc/73/99/57/346739957.db2.gz DLHGLWMXWMLHTO-UHFFFAOYSA-N 0 0 189.617 2.645 10 0 AFAERN OCc1cccc(C2(F)CCC2)c1 584644212 346740079 /nfs/dbraw/zinc/74/00/79/346740079.db2.gz TZAQMPKAFCLCBE-UHFFFAOYSA-N 0 0 180.222 2.528 10 0 AFAERN CC(F)(F)Oc1ccc(Cl)nc1 584645648 346740376 /nfs/dbraw/zinc/74/03/76/346740376.db2.gz ARNDDVYSEJAXOM-UHFFFAOYSA-N 0 0 193.580 2.727 10 0 AFAERN CC1(C)OC(=O)OC12CCCCC2 584657070 346743554 /nfs/dbraw/zinc/74/35/54/346743554.db2.gz BKAPYKDBMKXLMA-UHFFFAOYSA-N 0 0 184.235 2.635 10 0 AFAERN CCC[C@](C)(CCCC(C)=O)OC 584647105 346741258 /nfs/dbraw/zinc/74/12/58/346741258.db2.gz HQUINQSONQZVCS-LLVKDONJSA-N 0 0 186.295 2.951 10 0 AFAERN C=Cc1cc(Cl)ccc1NC=O 584647066 346741334 /nfs/dbraw/zinc/74/13/34/346741334.db2.gz WZWMBWVXEHZHFT-UHFFFAOYSA-N 0 0 181.622 2.551 10 0 AFAERN CCC[C@@](C)(CCCC(C)=O)OC 584647106 346741347 /nfs/dbraw/zinc/74/13/47/346741347.db2.gz HQUINQSONQZVCS-NSHDSACASA-N 0 0 186.295 2.951 10 0 AFAERN CCCCSC(=O)c1ccccn1 584647652 346741502 /nfs/dbraw/zinc/74/15/02/346741502.db2.gz IHVPUELBZKFRBG-UHFFFAOYSA-N 0 0 195.287 2.755 10 0 AFAERN FC(F)[C@H]1CCNc2ccccc21 584649019 346741775 /nfs/dbraw/zinc/74/17/75/346741775.db2.gz VWGZHTAUMHXBNG-QMMMGPOBSA-N 0 0 183.201 2.851 10 0 AFAERN C=Cc1cncc(C(C)(F)F)c1 584648885 346741778 /nfs/dbraw/zinc/74/17/78/346741778.db2.gz SBCNRGIJCVMQQZ-UHFFFAOYSA-N 0 0 169.174 2.836 10 0 AFAERN COCc1ccc(Cl)c(Cl)n1 584648554 346741881 /nfs/dbraw/zinc/74/18/81/346741881.db2.gz KLUGHNYKMZBDBW-UHFFFAOYSA-N 0 0 192.045 2.535 10 0 AFAERN FC(F)[C@@H]1CCNc2ccccc21 584649018 346741918 /nfs/dbraw/zinc/74/19/18/346741918.db2.gz VWGZHTAUMHXBNG-MRVPVSSYSA-N 0 0 183.201 2.851 10 0 AFAERN Clc1ccc(C2=CCCC2)nn1 584648848 346741952 /nfs/dbraw/zinc/74/19/52/346741952.db2.gz QJHNRXKIBMYGRM-UHFFFAOYSA-N 0 0 180.638 2.697 10 0 AFAERN FCc1c(F)cc(F)cc1F 584647758 346741996 /nfs/dbraw/zinc/74/19/96/346741996.db2.gz XRSIRICTPNPYNT-UHFFFAOYSA-N 0 0 164.101 2.573 10 0 AFAERN C=Cc1ccnc(OC(C)C)c1 584648914 346742021 /nfs/dbraw/zinc/74/20/21/346742021.db2.gz UHUOCCPNMJLDSA-UHFFFAOYSA-N 0 0 163.220 2.512 10 0 AFAERN Cc1cc(Cl)cc(C2CC2)n1 584649279 346742024 /nfs/dbraw/zinc/74/20/24/346742024.db2.gz ZXVGKUIBCJQYPH-UHFFFAOYSA-N 0 0 167.639 2.921 10 0 AFAERN Nc1cccc2c1CC21CCCC1 584647963 346742065 /nfs/dbraw/zinc/74/20/65/346742065.db2.gz MDZQDSFYDPVHOU-UHFFFAOYSA-N 0 0 173.259 2.637 10 0 AFAERN Cc1nc2ccnc(Cl)c2s1 584649071 346742087 /nfs/dbraw/zinc/74/20/87/346742087.db2.gz XNHHOPGBZANJHF-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN C1CC2(CO1)C1CC3CC(C1)CC2C3 584650249 346742482 /nfs/dbraw/zinc/74/24/82/346742482.db2.gz VVGGRELAWLKKIQ-UHFFFAOYSA-N 0 0 192.302 2.849 10 0 AFAERN c1ccc(-c2cnc3[nH]ccc3n2)cc1 584652510 346742717 /nfs/dbraw/zinc/74/27/17/346742717.db2.gz WSZAVFJUEJHNIR-UHFFFAOYSA-N 0 0 195.225 2.577 10 0 AFAERN CC(=O)[C@H]1[C@H](c2ccccc2)C1(F)F 584656766 346742735 /nfs/dbraw/zinc/74/27/35/346742735.db2.gz JQGACAYFMDRFTP-UWVGGRQHSA-N 0 0 196.196 2.624 10 0 AFAERN C1=C2SC=C2C2=C(C1)SC2 584652398 346742856 /nfs/dbraw/zinc/74/28/56/346742856.db2.gz REBFLTDUGKDECR-UHFFFAOYSA-N 0 0 166.270 2.906 10 0 AFAERN FC1(F)C=C1Cc1ccccc1 584656748 346742949 /nfs/dbraw/zinc/74/29/49/346742949.db2.gz CIMZMQYPWRUVDM-UHFFFAOYSA-N 0 0 166.170 2.804 10 0 AFAERN Nc1ccc2c(c1)oc1cccnc12 584652156 346742974 /nfs/dbraw/zinc/74/29/74/346742974.db2.gz DPMFWWIWASNXBB-UHFFFAOYSA-N 0 0 184.198 2.563 10 0 AFAERN CC(=O)[C@H]1[C@@H](c2ccccc2)C1(F)F 584656767 346743038 /nfs/dbraw/zinc/74/30/38/346743038.db2.gz JQGACAYFMDRFTP-VHSXEESVSA-N 0 0 196.196 2.624 10 0 AFAERN CC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 584656765 346743058 /nfs/dbraw/zinc/74/30/58/346743058.db2.gz JQGACAYFMDRFTP-NXEZZACHSA-N 0 0 196.196 2.624 10 0 AFAERN C[C@H]1CCOC12CCCCC2 584652148 346743064 /nfs/dbraw/zinc/74/30/64/346743064.db2.gz DATSCZNREMRQPR-VIFPVBQESA-N 0 0 154.253 2.746 10 0 AFAERN C[C@@H]1CCOC12CCCCC2 584652146 346743077 /nfs/dbraw/zinc/74/30/77/346743077.db2.gz DATSCZNREMRQPR-SECBINFHSA-N 0 0 154.253 2.746 10 0 AFAERN ClC1=C2C[C@@H]2CCC1 584652235 346743095 /nfs/dbraw/zinc/74/30/95/346743095.db2.gz ICCBIGFBKPANJE-YFKPBYRVSA-N 0 0 128.602 2.683 10 0 AFAERN CC1=C[C@](C)(Cl)[C@@]1(C)Cl 584656932 346743265 /nfs/dbraw/zinc/74/32/65/346743265.db2.gz ISDPOHWZHNMZSL-BQBZGAKWSA-N 0 0 165.063 2.941 10 0 AFAERN C/C=C/OCc1ccc(OC)cc1 584656772 346743269 /nfs/dbraw/zinc/74/32/69/346743269.db2.gz OHQXTLUZHYJJOO-FPYGCLRLSA-N 0 0 178.231 2.745 10 0 AFAERN CC1=C(c2ccccc2)C1 584656895 346743274 /nfs/dbraw/zinc/74/32/74/346743274.db2.gz FWZZVLUDHXTNOQ-UHFFFAOYSA-N 0 0 130.190 2.864 10 0 AFAERN CN(C)/C=C1/C=C(Cl)C=C1Cl 584657040 346743279 /nfs/dbraw/zinc/74/32/79/346743279.db2.gz VMIQPERCUXWGIN-WAYWQWQTSA-N 0 0 190.073 2.691 10 0 AFAERN CC1=C[C@@](C)(Cl)[C@@]1(C)Cl 584656936 346743284 /nfs/dbraw/zinc/74/32/84/346743284.db2.gz ISDPOHWZHNMZSL-RQJHMYQMSA-N 0 0 165.063 2.941 10 0 AFAERN C/C=C(/COC(C)=O)c1ccccc1 584657085 346743298 /nfs/dbraw/zinc/74/32/98/346743298.db2.gz GONPIFODSOYVHF-JYOAFUTRSA-N 0 0 190.242 2.653 10 0 AFAERN CC(=O)[C@@H]1[C@H](c2ccccc2)C1(F)F 584656768 346743413 /nfs/dbraw/zinc/74/34/13/346743413.db2.gz JQGACAYFMDRFTP-ZJUUUORDSA-N 0 0 196.196 2.624 10 0 AFAERN CC1(C)[C@]2(CO2)[C@H]2CC[C@]1(C)C2 584657056 346743437 /nfs/dbraw/zinc/74/34/37/346743437.db2.gz YLMLCRWWRRLMJL-GDPRMGEGSA-N 0 0 166.264 2.602 10 0 AFAERN CCS/C(C)=C(/SC)N(C)C 584656910 346743440 /nfs/dbraw/zinc/74/34/40/346743440.db2.gz SEJKKNJKJDOORK-BQYQJAHWSA-N 0 0 191.365 2.853 10 0 AFAERN C/C=C/n1cnc2ccccc21 584656860 346743495 /nfs/dbraw/zinc/74/34/95/346743495.db2.gz MHHLKUTVRXUDDJ-FARCUNLSSA-N 0 0 158.204 2.527 10 0 AFAERN CN(C)C(=S)CCc1ccccc1 584656982 346743532 /nfs/dbraw/zinc/74/35/32/346743532.db2.gz XXSKIBJWPWZDOU-UHFFFAOYSA-N 0 0 193.315 2.508 10 0 AFAERN CC1=C[C@](C)(Cl)[C@]1(C)Cl 584656933 346743545 /nfs/dbraw/zinc/74/35/45/346743545.db2.gz ISDPOHWZHNMZSL-NKWVEPMBSA-N 0 0 165.063 2.941 10 0 AFAERN CC1=C[C@@](C)(Cl)[C@]1(C)Cl 584656934 346743566 /nfs/dbraw/zinc/74/35/66/346743566.db2.gz ISDPOHWZHNMZSL-RNFRBKRXSA-N 0 0 165.063 2.941 10 0 AFAERN CC1(C)[C@]2(C)CC[C@@H](C2)[C@]12CO2 584657057 346743574 /nfs/dbraw/zinc/74/35/74/346743574.db2.gz 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/nfs/dbraw/zinc/81/74/30/346817430.db2.gz CBUKLTWFMDUIIG-JTQLQIEISA-N 0 0 188.336 2.801 10 0 AFAERN CO[C@@H](CSCC1CC1)C1CC1 591623528 346817926 /nfs/dbraw/zinc/81/79/26/346817926.db2.gz LRMLVBWTFMVPEN-JTQLQIEISA-N 0 0 186.320 2.555 10 0 AFAERN CCCCSC[C@H](OC)C1CC1 591623318 346817990 /nfs/dbraw/zinc/81/79/90/346817990.db2.gz RKRUTRVFUGPCFG-JTQLQIEISA-N 0 0 188.336 2.945 10 0 AFAERN CCCCSC[C@@H](OC)C1CC1 591623319 346818014 /nfs/dbraw/zinc/81/80/14/346818014.db2.gz RKRUTRVFUGPCFG-SNVBAGLBSA-N 0 0 188.336 2.945 10 0 AFAERN C/C=C\CSC[C@@H](OC)C1CC1 591622168 346818143 /nfs/dbraw/zinc/81/81/43/346818143.db2.gz FUAIULNZAFTAAC-UMBAGQNISA-N 0 0 186.320 2.721 10 0 AFAERN CCCSC[C@H](OC)C1CC1 591623371 346818159 /nfs/dbraw/zinc/81/81/59/346818159.db2.gz UNRCIXSEXVEWAU-VIFPVBQESA-N 0 0 174.309 2.555 10 0 AFAERN C/C=C/CSC[C@H](OC)C1CC1 591622153 346818226 /nfs/dbraw/zinc/81/82/26/346818226.db2.gz FUAIULNZAFTAAC-FSIBCCDJSA-N 0 0 186.320 2.721 10 0 AFAERN CO[C@H](CSCCCF)C1CC1 591624197 346818230 /nfs/dbraw/zinc/81/82/30/346818230.db2.gz SYSMSNYTGJWKTE-SECBINFHSA-N 0 0 192.299 2.504 10 0 AFAERN CO[C@@H](CSC(C)C)C1CC1 591621666 346818237 /nfs/dbraw/zinc/81/82/37/346818237.db2.gz SEMLCJVMVXJTTF-VIFPVBQESA-N 0 0 174.309 2.553 10 0 AFAERN CCCSC[C@@H](OC)C1CC1 591623361 346818258 /nfs/dbraw/zinc/81/82/58/346818258.db2.gz UNRCIXSEXVEWAU-SECBINFHSA-N 0 0 174.309 2.555 10 0 AFAERN CO[C@@H](CSCCCF)C1CC1 591624198 346818274 /nfs/dbraw/zinc/81/82/74/346818274.db2.gz SYSMSNYTGJWKTE-VIFPVBQESA-N 0 0 192.299 2.504 10 0 AFAERN CO[C@H](CSCC1CC1)C1CC1 591623529 346818296 /nfs/dbraw/zinc/81/82/96/346818296.db2.gz LRMLVBWTFMVPEN-SNVBAGLBSA-N 0 0 186.320 2.555 10 0 AFAERN C/C=C/CSC[C@@H](OC)C1CC1 591622166 346818315 /nfs/dbraw/zinc/81/83/15/346818315.db2.gz FUAIULNZAFTAAC-HMDXOVGESA-N 0 0 186.320 2.721 10 0 AFAERN C/C=C\CSC[C@H](OC)C1CC1 591622170 346818343 /nfs/dbraw/zinc/81/83/43/346818343.db2.gz FUAIULNZAFTAAC-XOULXFPDSA-N 0 0 186.320 2.721 10 0 AFAERN CO[C@H](CSC(C)C)C1CC1 591621660 346818398 /nfs/dbraw/zinc/81/83/98/346818398.db2.gz SEMLCJVMVXJTTF-SECBINFHSA-N 0 0 174.309 2.553 10 0 AFAERN COC(=O)c1cc(C)ccc1C1CC1 591830862 346823352 /nfs/dbraw/zinc/82/33/52/346823352.db2.gz XXVTYMPINHFUGA-UHFFFAOYSA-N 0 0 190.242 2.659 10 0 AFAERN CO[C@@H](CSC1CCC1)C1CC1 592350868 346829202 /nfs/dbraw/zinc/82/92/02/346829202.db2.gz JRQDLXYOLUGYCK-JTQLQIEISA-N 0 0 186.320 2.697 10 0 AFAERN CCSCCn1cc(C(C)C)cn1 592360983 346829544 /nfs/dbraw/zinc/82/95/44/346829544.db2.gz DEUWTZYNOOLNLN-UHFFFAOYSA-N 0 0 198.335 2.760 10 0 AFAERN CO[C@H](CSC1CCC1)C1CC1 592350869 346829949 /nfs/dbraw/zinc/82/99/49/346829949.db2.gz JRQDLXYOLUGYCK-SNVBAGLBSA-N 0 0 186.320 2.697 10 0 AFAERN COCCCSCC1=CCCC1 592454559 346831850 /nfs/dbraw/zinc/83/18/50/346831850.db2.gz FHTUXLUDVWFGPZ-UHFFFAOYSA-N 0 0 186.320 2.866 10 0 AFAERN C1=C(CS[C@@H]2CCOC2)CCC1 592459402 346831887 /nfs/dbraw/zinc/83/18/87/346831887.db2.gz DHUMLVWLMBIUQV-SNVBAGLBSA-N 0 0 184.304 2.619 10 0 AFAERN C1=C(CS[C@H]2CCOC2)CCC1 592459401 346832025 /nfs/dbraw/zinc/83/20/25/346832025.db2.gz DHUMLVWLMBIUQV-JTQLQIEISA-N 0 0 184.304 2.619 10 0 AFAERN CCCSCCC[C@H]1CCOC1 592453699 346832026 /nfs/dbraw/zinc/83/20/26/346832026.db2.gz ROKAIFWNBKYYNT-JTQLQIEISA-N 0 0 188.336 2.946 10 0 AFAERN CC(C)SCCC[C@H]1CCOC1 592453047 346832056 /nfs/dbraw/zinc/83/20/56/346832056.db2.gz VAJYWVKPFZOVFT-JTQLQIEISA-N 0 0 188.336 2.945 10 0 AFAERN CCSCCC[C@@H]1CCOC1 592453279 346832078 /nfs/dbraw/zinc/83/20/78/346832078.db2.gz PXTMYFUOLYGYDX-SECBINFHSA-N 0 0 174.309 2.556 10 0 AFAERN CCCSCCC[C@@H]1CCOC1 592453701 346832094 /nfs/dbraw/zinc/83/20/94/346832094.db2.gz ROKAIFWNBKYYNT-SNVBAGLBSA-N 0 0 188.336 2.946 10 0 AFAERN CCSCCC[C@H]1CCOC1 592453281 346832100 /nfs/dbraw/zinc/83/21/00/346832100.db2.gz PXTMYFUOLYGYDX-VIFPVBQESA-N 0 0 174.309 2.556 10 0 AFAERN CC(C)SCCC[C@@H]1CCOC1 592453048 346832128 /nfs/dbraw/zinc/83/21/28/346832128.db2.gz VAJYWVKPFZOVFT-SNVBAGLBSA-N 0 0 188.336 2.945 10 0 AFAERN CCSCCc1ncc(C)cc1C 592452599 346832135 /nfs/dbraw/zinc/83/21/35/346832135.db2.gz FONCVYNLRSHOCY-UHFFFAOYSA-N 0 0 195.331 2.994 10 0 AFAERN COC[C@H](C)SCC1=CCCC1 592452914 346832176 /nfs/dbraw/zinc/83/21/76/346832176.db2.gz GDSUOCRCFRGIHA-VIFPVBQESA-N 0 0 186.320 2.865 10 0 AFAERN CSCCCn1cc(C2CC2)cn1 593237103 346837820 /nfs/dbraw/zinc/83/78/20/346837820.db2.gz GNDLXHWBHCQHLT-UHFFFAOYSA-N 0 0 196.319 2.514 10 0 AFAERN CCSCCn1cc(C2CC2)cn1 593237727 346837764 /nfs/dbraw/zinc/83/77/64/346837764.db2.gz QOYCWVIWJLHBRE-UHFFFAOYSA-N 0 0 196.319 2.514 10 0 AFAERN CSCc1cc(OC(C)C)ccn1 593187281 346837859 /nfs/dbraw/zinc/83/78/59/346837859.db2.gz IRHTWLWKPMZMAE-UHFFFAOYSA-N 0 0 197.303 2.732 10 0 AFAERN CC(C)OC(=O)[C@@H]1C[C@@H]1C1CCCC1 593440456 346839424 /nfs/dbraw/zinc/83/94/24/346839424.db2.gz NLZXTRSNNRJYCA-GHMZBOCLSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)OC(=O)[C@H]1C[C@H]1C1CCCC1 593440458 346839536 /nfs/dbraw/zinc/83/95/36/346839536.db2.gz NLZXTRSNNRJYCA-QWRGUYRKSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)OC(=O)[C@H]1C[C@@H]1C1CCCC1 593440457 346839587 /nfs/dbraw/zinc/83/95/87/346839587.db2.gz NLZXTRSNNRJYCA-MNOVXSKESA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)OC(=O)[C@@H]1C[C@H]1C1CCCC1 593440459 346839712 /nfs/dbraw/zinc/83/97/12/346839712.db2.gz NLZXTRSNNRJYCA-WDEREUQCSA-N 0 0 196.290 2.764 10 0 AFAERN CCCCOc1nc(C(C)(C)C)no1 593615360 346841179 /nfs/dbraw/zinc/84/11/79/346841179.db2.gz JAVLVJHMSYZSGR-UHFFFAOYSA-N 0 0 198.266 2.546 10 0 AFAERN CSCc1c(C)nsc1C 594452683 346848726 /nfs/dbraw/zinc/84/87/26/346848726.db2.gz HMMKFJUQBULXSD-UHFFFAOYSA-N 0 0 173.306 2.623 10 0 AFAERN C/C=C/CSCc1coc(C)n1 594557134 346849396 /nfs/dbraw/zinc/84/93/96/346849396.db2.gz JNZYAFNISHTXQJ-ONEGZZNKSA-N 0 0 183.276 2.792 10 0 AFAERN C/C=C\CSCc1coc(C)n1 594557132 346849473 /nfs/dbraw/zinc/84/94/73/346849473.db2.gz JNZYAFNISHTXQJ-ARJAWSKDSA-N 0 0 183.276 2.792 10 0 AFAERN CCc1nocc1CSCC1CC1 594557110 346849549 /nfs/dbraw/zinc/84/95/49/346849549.db2.gz FRMNMPVNHYHLOG-UHFFFAOYSA-N 0 0 197.303 2.880 10 0 AFAERN Cc1nc(CSCC2CC2)co1 594557062 346849580 /nfs/dbraw/zinc/84/95/80/346849580.db2.gz CSLAHMVPHZNLPV-UHFFFAOYSA-N 0 0 183.276 2.626 10 0 AFAERN Cc1nc(CSCCCF)co1 594557749 346849605 /nfs/dbraw/zinc/84/96/05/346849605.db2.gz WDRNTGYYRITUCR-UHFFFAOYSA-N 0 0 189.255 2.576 10 0 AFAERN CCCSCc1coc(C)n1 594556931 346849629 /nfs/dbraw/zinc/84/96/29/346849629.db2.gz WHSLGDUMJJYTEQ-UHFFFAOYSA-N 0 0 171.265 2.626 10 0 AFAERN Cc1nc(CSCC(C)C)co1 594556983 346849675 /nfs/dbraw/zinc/84/96/75/346849675.db2.gz XGXLFQFBOJLAKN-UHFFFAOYSA-N 0 0 185.292 2.872 10 0 AFAERN CC(C)CS[C@@H]1COC(C)(C)C1 594881202 346851907 /nfs/dbraw/zinc/85/19/07/346851907.db2.gz KMPVSDUQKACGEX-VIFPVBQESA-N 0 0 188.336 2.943 10 0 AFAERN CC(C)CS[C@H]1COC(C)(C)C1 594881201 346852223 /nfs/dbraw/zinc/85/22/23/346852223.db2.gz KMPVSDUQKACGEX-SECBINFHSA-N 0 0 188.336 2.943 10 0 AFAERN CC(C)CS[C@@H]1CCO[C@H](C)C1 594880693 346852255 /nfs/dbraw/zinc/85/22/55/346852255.db2.gz GLJHQPNDKBFLNU-NXEZZACHSA-N 0 0 188.336 2.943 10 0 AFAERN CSC[C@@H]1CC[C@H]2C[C@H]2C1 594886510 346852542 /nfs/dbraw/zinc/85/25/42/346852542.db2.gz VGVSZBKBDZRZPY-HRDYMLBCSA-N 0 0 156.294 2.786 10 0 AFAERN CO[C@H](CSC)C1CCCCC1 594886574 346852657 /nfs/dbraw/zinc/85/26/57/346852657.db2.gz WZCGXKBZQIYJCF-SNVBAGLBSA-N 0 0 188.336 2.945 10 0 AFAERN CSC[C@@H]1CC[C@@H]2C[C@@H]2C1 594886509 346852755 /nfs/dbraw/zinc/85/27/55/346852755.db2.gz VGVSZBKBDZRZPY-HLTSFMKQSA-N 0 0 156.294 2.786 10 0 AFAERN CO[C@@H](CSC)C1CCCCC1 594886573 346852775 /nfs/dbraw/zinc/85/27/75/346852775.db2.gz WZCGXKBZQIYJCF-JTQLQIEISA-N 0 0 188.336 2.945 10 0 AFAERN CO[C@@H](CSC)C1CCCC1 594886583 346852798 /nfs/dbraw/zinc/85/27/98/346852798.db2.gz XAQPZHOXIPADHW-VIFPVBQESA-N 0 0 174.309 2.555 10 0 AFAERN CO[C@H](CSC)C1CCCC1 594886582 346852849 /nfs/dbraw/zinc/85/28/49/346852849.db2.gz XAQPZHOXIPADHW-SECBINFHSA-N 0 0 174.309 2.555 10 0 AFAERN CCC(CC)CSCC(C)=O 594895146 346853190 /nfs/dbraw/zinc/85/31/90/346853190.db2.gz IDGCVZDTVOWWRT-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN C1=CCC(CSC2CCOCC2)C1 594893886 346853205 /nfs/dbraw/zinc/85/32/05/346853205.db2.gz NBCOKLGDHCXCFI-UHFFFAOYSA-N 0 0 198.331 2.865 10 0 AFAERN CCOCCSCCC1CCC1 594894492 346853219 /nfs/dbraw/zinc/85/32/19/346853219.db2.gz AIDFJIJWHRMDMH-UHFFFAOYSA-N 0 0 188.336 2.946 10 0 AFAERN CC(=O)CSC[C@@H]1CC[C@@H]2C[C@@H]2C1 594895825 346853292 /nfs/dbraw/zinc/85/32/92/346853292.db2.gz OWVHVOWDEFMYRG-MXWKQRLJSA-N 0 0 198.331 2.745 10 0 AFAERN CC(=O)CSC[C@@H]1CC[C@H]2C[C@H]2C1 594895826 346853308 /nfs/dbraw/zinc/85/33/08/346853308.db2.gz OWVHVOWDEFMYRG-OUAUKWLOSA-N 0 0 198.331 2.745 10 0 AFAERN CC(=O)CSCCC=C(C)C 594894476 346853325 /nfs/dbraw/zinc/85/33/25/346853325.db2.gz ACTRGUQJFRDYBM-UHFFFAOYSA-N 0 0 172.293 2.665 10 0 AFAERN CC(=O)CSCCCC1CCC1 594894727 346853472 /nfs/dbraw/zinc/85/34/72/346853472.db2.gz FEELAFFSVSAJIE-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN Cc1nocc1CSC1CCC1 594899913 346853916 /nfs/dbraw/zinc/85/39/16/346853916.db2.gz CQKRAGYXGJSKBS-UHFFFAOYSA-N 0 0 183.276 2.769 10 0 AFAERN CC1(C)C[C@@H](SC2CCC2)CO1 594900270 346853991 /nfs/dbraw/zinc/85/39/91/346853991.db2.gz YIJNDMVKLYAFJH-SECBINFHSA-N 0 0 186.320 2.840 10 0 AFAERN Cc1nc(CSC2CCC2)co1 594900232 346854011 /nfs/dbraw/zinc/85/40/11/346854011.db2.gz RRTPXRVZPXCOAN-UHFFFAOYSA-N 0 0 183.276 2.769 10 0 AFAERN CC1(C)C[C@H](SCC2CC2)CO1 594897921 346854046 /nfs/dbraw/zinc/85/40/46/346854046.db2.gz XHYLLQLRWCHQAW-VIFPVBQESA-N 0 0 186.320 2.697 10 0 AFAERN CC1(C)C[C@@H](SCC2CC2)CO1 594897920 346854144 /nfs/dbraw/zinc/85/41/44/346854144.db2.gz XHYLLQLRWCHQAW-SECBINFHSA-N 0 0 186.320 2.697 10 0 AFAERN c1ncc(CSC2CCC2)s1 594900257 346854206 /nfs/dbraw/zinc/85/42/06/346854206.db2.gz WJEYSTDYXFRVAA-UHFFFAOYSA-N 0 0 185.317 2.929 10 0 AFAERN CC1(C)C[C@H](SC2CCC2)CO1 594900271 346854238 /nfs/dbraw/zinc/85/42/38/346854238.db2.gz YIJNDMVKLYAFJH-VIFPVBQESA-N 0 0 186.320 2.840 10 0 AFAERN c1ncc(CSCC2CC2)s1 594896889 346854269 /nfs/dbraw/zinc/85/42/69/346854269.db2.gz AIGCQMKIAPEDEV-UHFFFAOYSA-N 0 0 185.317 2.786 10 0 AFAERN CCOC(=O)[C@@]1(C)CC=C(C)CC1 594919361 346855295 /nfs/dbraw/zinc/85/52/95/346855295.db2.gz YOGZHLFNEFGXON-NSHDSACASA-N 0 0 182.263 2.686 10 0 AFAERN CC(C)OC(=O)[C@@H]1CCCC2(CC2)C1 594932076 346855896 /nfs/dbraw/zinc/85/58/96/346855896.db2.gz VSSJLPFGMCHUET-SNVBAGLBSA-N 0 0 196.290 2.908 10 0 AFAERN CC(C)OC(=O)[C@H]1CCCC2(CC2)C1 594932075 346855981 /nfs/dbraw/zinc/85/59/81/346855981.db2.gz VSSJLPFGMCHUET-JTQLQIEISA-N 0 0 196.290 2.908 10 0 AFAERN C/C=C\CSCc1cncs1 596339909 346875513 /nfs/dbraw/zinc/87/55/13/346875513.db2.gz RJGRHXPECDHSQA-IHWYPQMZSA-N 0 0 185.317 2.952 10 0 AFAERN CCCSCCO[C@H]1CC1(F)F 596331400 346874788 /nfs/dbraw/zinc/87/47/88/346874788.db2.gz BXGVWUQJZULBNV-ZETCQYMHSA-N 0 0 196.262 2.554 10 0 AFAERN CCSCC[C@@H]1CCCCO1 596328512 346874856 /nfs/dbraw/zinc/87/48/56/346874856.db2.gz DKJAURJRAYECER-VIFPVBQESA-N 0 0 174.309 2.699 10 0 AFAERN CCSCCC1CCC1 596328792 346874901 /nfs/dbraw/zinc/87/49/01/346874901.db2.gz GDXSKZIOGICVGM-UHFFFAOYSA-N 0 0 144.283 2.930 10 0 AFAERN CCSC[C@@H](OC)C1CCCC1 596329244 346875015 /nfs/dbraw/zinc/87/50/15/346875015.db2.gz KPMLHWONBNDCRO-SNVBAGLBSA-N 0 0 188.336 2.945 10 0 AFAERN CCCSCCO[C@@H]1CC1(F)F 596331394 346875045 /nfs/dbraw/zinc/87/50/45/346875045.db2.gz BXGVWUQJZULBNV-SSDOTTSWSA-N 0 0 196.262 2.554 10 0 AFAERN CCSCC[C@H]1CCCCO1 596328511 346875048 /nfs/dbraw/zinc/87/50/48/346875048.db2.gz DKJAURJRAYECER-SECBINFHSA-N 0 0 174.309 2.699 10 0 AFAERN CCSC[C@H](OC)C1CCCC1 596329243 346875071 /nfs/dbraw/zinc/87/50/71/346875071.db2.gz KPMLHWONBNDCRO-JTQLQIEISA-N 0 0 188.336 2.945 10 0 AFAERN CCSC[C@H]1C[C@@H]2C[C@@H]2C1 596329748 346875103 /nfs/dbraw/zinc/87/51/03/346875103.db2.gz LSJMZPBXOLXCRN-AYMMMOKOSA-N 0 0 156.294 2.786 10 0 AFAERN CCSC[C@H](OC)C1CCC1 596329171 346875107 /nfs/dbraw/zinc/87/51/07/346875107.db2.gz IZMAPNOMYIWNPH-VIFPVBQESA-N 0 0 174.309 2.555 10 0 AFAERN CCSC[C@@H](OC)C1CCC1 596329170 346875111 /nfs/dbraw/zinc/87/51/11/346875111.db2.gz IZMAPNOMYIWNPH-SECBINFHSA-N 0 0 174.309 2.555 10 0 AFAERN C/C=C/CS[C@@H]1COC(C)(C)C1 596339207 346875376 /nfs/dbraw/zinc/87/53/76/346875376.db2.gz FECAPGLAVHDNPH-MOVJSRMASA-N 0 0 186.320 2.863 10 0 AFAERN C/C=C/CSCc1cncs1 596339910 346875418 /nfs/dbraw/zinc/87/54/18/346875418.db2.gz RJGRHXPECDHSQA-NSCUHMNNSA-N 0 0 185.317 2.952 10 0 AFAERN CO[C@H](CSC(C)C)C1CCC1 596339082 346875432 /nfs/dbraw/zinc/87/54/32/346875432.db2.gz PIGGDYVISLOHMS-SNVBAGLBSA-N 0 0 188.336 2.943 10 0 AFAERN CCCSCc1cncs1 596331757 346875473 /nfs/dbraw/zinc/87/54/73/346875473.db2.gz FYUVKIDWAICIML-UHFFFAOYSA-N 0 0 173.306 2.786 10 0 AFAERN C/C=C\CS[C@H]1COC(C)(C)C1 596339210 346875483 /nfs/dbraw/zinc/87/54/83/346875483.db2.gz FECAPGLAVHDNPH-XRVBUDJMSA-N 0 0 186.320 2.863 10 0 AFAERN C/C=C/CS[C@H]1COC(C)(C)C1 596339209 346875491 /nfs/dbraw/zinc/87/54/91/346875491.db2.gz FECAPGLAVHDNPH-XNPJLODASA-N 0 0 186.320 2.863 10 0 AFAERN CCCS[C@H]1COC(C)(C)C1 596331776 346875497 /nfs/dbraw/zinc/87/54/97/346875497.db2.gz GGHYAQHEVPZVEQ-MRVPVSSYSA-N 0 0 174.309 2.697 10 0 AFAERN CO[C@@H](CSC(C)C)C1CCC1 596339081 346875510 /nfs/dbraw/zinc/87/55/10/346875510.db2.gz PIGGDYVISLOHMS-JTQLQIEISA-N 0 0 188.336 2.943 10 0 AFAERN C/C=C\CS[C@@H]1COC(C)(C)C1 596339208 346875523 /nfs/dbraw/zinc/87/55/23/346875523.db2.gz FECAPGLAVHDNPH-WBSSQXGSSA-N 0 0 186.320 2.863 10 0 AFAERN CCCSCc1conc1C 596331785 346875534 /nfs/dbraw/zinc/87/55/34/346875534.db2.gz GPRDAUCULXXOCA-UHFFFAOYSA-N 0 0 171.265 2.626 10 0 AFAERN CCCSC[C@@H](OC)C1CCC1 596332826 346875541 /nfs/dbraw/zinc/87/55/41/346875541.db2.gz SKQQOHOIBJFTIS-SNVBAGLBSA-N 0 0 188.336 2.945 10 0 AFAERN CCCS[C@@H]1COC(C)(C)C1 596331777 346875591 /nfs/dbraw/zinc/87/55/91/346875591.db2.gz GGHYAQHEVPZVEQ-QMMMGPOBSA-N 0 0 174.309 2.697 10 0 AFAERN CC(C)S[C@@H]1COC(C)(C)C1 596339042 346875626 /nfs/dbraw/zinc/87/56/26/346875626.db2.gz OJDIJZCPOMTYGK-QMMMGPOBSA-N 0 0 174.309 2.696 10 0 AFAERN CC(C)SCCO[C@H]1CC1(F)F 596339155 346875641 /nfs/dbraw/zinc/87/56/41/346875641.db2.gz RWOIXUMMGFWHTL-ZETCQYMHSA-N 0 0 196.262 2.552 10 0 AFAERN CC(C)SCCO[C@@H]1CC1(F)F 596339154 346875644 /nfs/dbraw/zinc/87/56/44/346875644.db2.gz RWOIXUMMGFWHTL-SSDOTTSWSA-N 0 0 196.262 2.552 10 0 AFAERN CC(C)S[C@H]1COC(C)(C)C1 596339041 346875649 /nfs/dbraw/zinc/87/56/49/346875649.db2.gz OJDIJZCPOMTYGK-MRVPVSSYSA-N 0 0 174.309 2.696 10 0 AFAERN CCCSC[C@H](OC)C1CCC1 596332825 346875675 /nfs/dbraw/zinc/87/56/75/346875675.db2.gz SKQQOHOIBJFTIS-JTQLQIEISA-N 0 0 188.336 2.945 10 0 AFAERN C1=CCC(CSCc2ccno2)C1 596343908 346875967 /nfs/dbraw/zinc/87/59/67/346875967.db2.gz YGFXKVUMPXJVJF-UHFFFAOYSA-N 0 0 195.287 2.874 10 0 AFAERN FCCCSCc1cncs1 596350136 346876554 /nfs/dbraw/zinc/87/65/54/346876554.db2.gz LGKDPBIZFFLPOM-UHFFFAOYSA-N 0 0 191.296 2.736 10 0 AFAERN CC1(C)C[C@H](SCCCF)CO1 596351192 346876851 /nfs/dbraw/zinc/87/68/51/346876851.db2.gz RHWPQXXBGRSVFQ-QMMMGPOBSA-N 0 0 192.299 2.647 10 0 AFAERN CC1(C)C[C@@H](SCCCF)CO1 596351191 346876944 /nfs/dbraw/zinc/87/69/44/346876944.db2.gz RHWPQXXBGRSVFQ-MRVPVSSYSA-N 0 0 192.299 2.647 10 0 AFAERN C[C@H](O)CCS[C@H]1CC[C@H](C)C1 596406423 346877332 /nfs/dbraw/zinc/87/73/32/346877332.db2.gz HEAOPUYWBROJNN-GUBZILKMSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)C[C@@H](C)SCC[C@@H](C)O 596408177 346877340 /nfs/dbraw/zinc/87/73/40/346877340.db2.gz PDJOSTYHCPTUPB-NXEZZACHSA-N 0 0 190.352 2.925 10 0 AFAERN C[C@H](O)CCS[C@@H]1CC[C@@H](C)C1 596406424 346877354 /nfs/dbraw/zinc/87/73/54/346877354.db2.gz HEAOPUYWBROJNN-KXUCPTDWSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)C[C@H](C)SCC[C@H](C)O 596408178 346877426 /nfs/dbraw/zinc/87/74/26/346877426.db2.gz PDJOSTYHCPTUPB-UWVGGRQHSA-N 0 0 190.352 2.925 10 0 AFAERN CC(C)C[C@@H](C)SCC[C@H](C)O 596408179 346877485 /nfs/dbraw/zinc/87/74/85/346877485.db2.gz PDJOSTYHCPTUPB-VHSXEESVSA-N 0 0 190.352 2.925 10 0 AFAERN C[C@H](O)CCS[C@@H]1CC[C@H](C)C1 596406425 346877488 /nfs/dbraw/zinc/87/74/88/346877488.db2.gz HEAOPUYWBROJNN-LPEHRKFASA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)C[C@H](C)SCC[C@@H](C)O 596408180 346877544 /nfs/dbraw/zinc/87/75/44/346877544.db2.gz PDJOSTYHCPTUPB-ZJUUUORDSA-N 0 0 190.352 2.925 10 0 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AFAERN CCCCC(=O)N[C@H](C)C1CCCC1 603671138 346957563 /nfs/dbraw/zinc/95/75/63/346957563.db2.gz RRWKDSVUTLFPDG-SNVBAGLBSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@@H](C)C(=O)N[C@@H](C)C1CCCC1 603671714 346957615 /nfs/dbraw/zinc/95/76/15/346957615.db2.gz NFJZMKYNNLBIKP-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN COCCCCN(C)c1ccccc1 603823313 346958280 /nfs/dbraw/zinc/95/82/80/346958280.db2.gz FGOIBLJIROQFEE-UHFFFAOYSA-N 0 0 193.290 2.549 10 0 AFAERN C[C@H]1CCCCCN1C(=O)C1CCC1 603845566 346959006 /nfs/dbraw/zinc/95/90/06/346959006.db2.gz MKQKCOAEXORPEJ-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN C[C@@H]1CCCCCN1C(=O)C1CCC1 603845567 346959253 /nfs/dbraw/zinc/95/92/53/346959253.db2.gz MKQKCOAEXORPEJ-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN C[C@@H](C(=O)N(C)CC1CC1)C(C)(C)C 604279761 346961946 /nfs/dbraw/zinc/96/19/46/346961946.db2.gz YQHYMORAXMRQKF-VIFPVBQESA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)N(C(=O)CCC1CC1)C(C)C 604229882 346961973 /nfs/dbraw/zinc/96/19/73/346961973.db2.gz HQUJGYRWXMQVQZ-UHFFFAOYSA-N 0 0 197.322 2.822 10 0 AFAERN C[C@H](C(=O)N(C)CC1CC1)C(C)(C)C 604279756 346961977 /nfs/dbraw/zinc/96/19/77/346961977.db2.gz YQHYMORAXMRQKF-SECBINFHSA-N 0 0 197.322 2.537 10 0 AFAERN CCC(C)(CC)NC(=O)CCC1CC1 604232547 346962003 /nfs/dbraw/zinc/96/20/03/346962003.db2.gz SGXMWTMONSDPBM-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CCCCCN(C)Cc1cc(C)on1 605149863 346968467 /nfs/dbraw/zinc/96/84/67/346968467.db2.gz HVXTVDHADCFEDW-UHFFFAOYSA-N 0 0 196.294 2.605 10 0 AFAERN CCCCCC(=O)NCCCC1CC1 605483105 346971803 /nfs/dbraw/zinc/97/18/03/346971803.db2.gz XILFNPUCWMSKBO-UHFFFAOYSA-N 0 0 197.322 2.873 10 0 AFAERN CC(C)(C)CC(=O)NCCCC1CC1 605482896 346971689 /nfs/dbraw/zinc/97/16/89/346971689.db2.gz PTLSEGKBORKTNG-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)[C@H](C)C(=O)NCCCC1CC1 605483955 346971730 /nfs/dbraw/zinc/97/17/30/346971730.db2.gz LKHNOLJACCLEIO-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)[C@@H](C)C(=O)NCCCC1CC1 605483956 346971781 /nfs/dbraw/zinc/97/17/81/346971781.db2.gz LKHNOLJACCLEIO-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(CC)C(=O)NCCCC1CC1 605484922 346971799 /nfs/dbraw/zinc/97/17/99/346971799.db2.gz AGEWKYRYLBBRGT-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCC[C@H](C)C(=O)NCCCC1CC1 605485537 346971870 /nfs/dbraw/zinc/97/18/70/346971870.db2.gz ZHYRAJZONLTZBU-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CCC(C)(C)C(=O)NCCCC1CC1 605484955 346971940 /nfs/dbraw/zinc/97/19/40/346971940.db2.gz CTASORQUKHBBFA-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)CCC(=O)NCCCC1CC1 605484151 346971943 /nfs/dbraw/zinc/97/19/43/346971943.db2.gz KRJPDBFGIGWBQR-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCC[C@@H](C)C(=O)NCCCC1CC1 605485538 346972034 /nfs/dbraw/zinc/97/20/34/346972034.db2.gz ZHYRAJZONLTZBU-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CN(CC1CC1)C(=O)CCC(C)(C)C 606179176 346973630 /nfs/dbraw/zinc/97/36/30/346973630.db2.gz BKWVOMAFYVXDMS-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)C(=O)N1C2CCCC1CCC2 606268863 346975646 /nfs/dbraw/zinc/97/56/46/346975646.db2.gz CJLQRZWFJKRLDE-UHFFFAOYSA-N 0 0 195.306 2.576 10 0 AFAERN Cc1cccc(Br)c1 606300596 346975614 /nfs/dbraw/zinc/97/56/14/346975614.db2.gz SQHJNBCOGBYQBS-UHFFFAOYSA-N 0 0 170.029 2.584 10 0 AFAERN c1ccc(Oc2ccccc2)cc1 606301313 346975723 /nfs/dbraw/zinc/97/57/23/346975723.db2.gz QTQQXWCOBJAAHP-UHFFFAOYSA-N 0 0 169.203 2.878 10 0 AFAERN Clc1ccc(Cl)cc1 606301303 346975739 /nfs/dbraw/zinc/97/57/39/346975739.db2.gz NAWARGBEJZTIPZ-UHFFFAOYSA-N 0 0 145.996 2.605 10 0 AFAERN CCCc1ccccc1 606301309 346975769 /nfs/dbraw/zinc/97/57/69/346975769.db2.gz PJXBDCWQEFHMOG-UHFFFAOYSA-N 0 0 119.187 2.642 10 0 AFAERN Clc1ccccc1Cl 606300464 346975819 /nfs/dbraw/zinc/97/58/19/346975819.db2.gz HCBZAAGNTJGKFE-UHFFFAOYSA-N 0 0 145.996 2.605 10 0 AFAERN Cc1ccccc1Br 606300613 346975884 /nfs/dbraw/zinc/97/58/84/346975884.db2.gz YGYLNAAKGJFJIR-UHFFFAOYSA-N 0 0 170.029 2.584 10 0 AFAERN CC(C)n1ncc2c1C[C@@H](CF)CC2 606302051 346976979 /nfs/dbraw/zinc/97/69/79/346976979.db2.gz YDBWLUPVBMMBDK-VIFPVBQESA-N 0 0 196.269 2.538 10 0 AFAERN Oc1ccc2cnccc2c1C(F)F 606301846 346977120 /nfs/dbraw/zinc/97/71/20/346977120.db2.gz HODWJMRPRZSLTI-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN CC(C)n1ncc2c1C[C@H](CF)CC2 606302050 346977133 /nfs/dbraw/zinc/97/71/33/346977133.db2.gz YDBWLUPVBMMBDK-SECBINFHSA-N 0 0 196.269 2.538 10 0 AFAERN C[C@@H]1O[C@@H]2CCC[C@H](CF)[C@@H]2[C@@H]1C 606303291 346978816 /nfs/dbraw/zinc/97/88/16/346978816.db2.gz CYMMJFZIVJDWCQ-QGKZMRNZSA-N 0 0 186.270 2.796 10 0 AFAERN C[C@@H]1O[C@@H]2CCC[C@H](CF)[C@H]2[C@H]1C 606303290 346978947 /nfs/dbraw/zinc/97/89/47/346978947.db2.gz CYMMJFZIVJDWCQ-FBDQPXRJSA-N 0 0 186.270 2.796 10 0 AFAERN C[C@@H]1O[C@@H]2CCC[C@H](CF)[C@@H]2[C@H]1C 606303288 346978993 /nfs/dbraw/zinc/97/89/93/346978993.db2.gz CYMMJFZIVJDWCQ-DAWVFNFOSA-N 0 0 186.270 2.796 10 0 AFAERN FC1C[C@H]2CCC[C@@H](C1)C2 606304355 346980899 /nfs/dbraw/zinc/98/08/99/346980899.db2.gz XAIHJHFYGYYGNN-JVHMLUBASA-N 0 0 142.217 2.925 10 0 AFAERN C[C@@H]1O[C@@H]2CCC[C@H](CF)[C@H]2[C@@H]1C 606303292 346979060 /nfs/dbraw/zinc/97/90/60/346979060.db2.gz CYMMJFZIVJDWCQ-RCZSTQMZSA-N 0 0 186.270 2.796 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)C[C@H](O)C2 606303943 346979906 /nfs/dbraw/zinc/97/99/06/346979906.db2.gz KEKYAIFLZJYMSO-IQJOONFLSA-N 0 0 168.280 2.584 10 0 AFAERN FCCCCCc1ccccn1 606303915 346979944 /nfs/dbraw/zinc/97/99/44/346979944.db2.gz JUWRNKNDQANMQA-UHFFFAOYSA-N 0 0 167.227 2.764 10 0 AFAERN COc1ccc2c(CCF)coc2c1 606303892 346979984 /nfs/dbraw/zinc/97/99/84/346979984.db2.gz JMTMLAACKZUFOL-UHFFFAOYSA-N 0 0 194.205 2.953 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)C[C@@H](O)C2 606303941 346980006 /nfs/dbraw/zinc/98/00/06/346980006.db2.gz KEKYAIFLZJYMSO-ATZCPNFKSA-N 0 0 168.280 2.584 10 0 AFAERN CC(C)n1ncc2c1CC[C@@H](CF)C2 606304036 346980008 /nfs/dbraw/zinc/98/00/08/346980008.db2.gz MMBNYVDRNYCJTP-SECBINFHSA-N 0 0 196.269 2.538 10 0 AFAERN CC(C)n1ncc2c1CC[C@H](CF)C2 606304037 346980040 /nfs/dbraw/zinc/98/00/40/346980040.db2.gz MMBNYVDRNYCJTP-VIFPVBQESA-N 0 0 196.269 2.538 10 0 AFAERN FC1C[C@H]2CC[C@@H](C1)C2 606304122 346980487 /nfs/dbraw/zinc/98/04/87/346980487.db2.gz PKICSWZZBYVJEY-DHBOJHSNSA-N 0 0 128.190 2.535 10 0 AFAERN C[C@@H]1C[C@@H]2[C@@H](CF)CCC[C@@H]2O1 606304117 346980514 /nfs/dbraw/zinc/98/05/14/346980514.db2.gz PIRODIMKEIKLAW-KYXWUPHJSA-N 0 0 172.243 2.550 10 0 AFAERN C[C@@H]1C[C@@H]2[C@H](CF)CCC[C@H]2O1 606304119 346980537 /nfs/dbraw/zinc/98/05/37/346980537.db2.gz PIRODIMKEIKLAW-UTINFBMNSA-N 0 0 172.243 2.550 10 0 AFAERN C[C@@H]1C[C@H]2[C@H](CCC[C@H]2CF)O1 606304118 346980550 /nfs/dbraw/zinc/98/05/50/346980550.db2.gz PIRODIMKEIKLAW-RGOKHQFPSA-N 0 0 172.243 2.550 10 0 AFAERN C[C@@H]1C[C@@H]2[C@@H](CF)CCC[C@H]2O1 606304120 346980564 /nfs/dbraw/zinc/98/05/64/346980564.db2.gz PIRODIMKEIKLAW-ZYUZMQFOSA-N 0 0 172.243 2.550 10 0 AFAERN FC1(F)CCCc2ncccc21 606304207 346980606 /nfs/dbraw/zinc/98/06/06/346980606.db2.gz ROVRAWJQZXHYAI-UHFFFAOYSA-N 0 0 169.174 2.510 10 0 AFAERN FCC1C[C@H]2CC[C@@H](C1)C2 606304335 346980873 /nfs/dbraw/zinc/98/08/73/346980873.db2.gz WIRFBBLQSHHSLG-JVHMLUBASA-N 0 0 142.217 2.782 10 0 AFAERN CC(C)(CCF)c1ccc(N)cc1 606304267 346980875 /nfs/dbraw/zinc/98/08/75/346980875.db2.gz UFQYEKIGOQKWNA-UHFFFAOYSA-N 0 0 181.254 2.906 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)C[C@H](CO)C2 606304415 346980883 /nfs/dbraw/zinc/98/08/83/346980883.db2.gz YLHLIPPONPPHEP-JFGNBEQYSA-N 0 0 182.307 2.831 10 0 AFAERN Cc1ccc([C@H]2CCC[C@H]2F)nc1 606304260 346980887 /nfs/dbraw/zinc/98/08/87/346980887.db2.gz TYYNZBBOAJWUAJ-VHSXEESVSA-N 0 0 179.238 2.996 10 0 AFAERN Cc1ccc([C@@H]2CCC[C@@H]2F)nc1 606304261 346980918 /nfs/dbraw/zinc/98/09/18/346980918.db2.gz TYYNZBBOAJWUAJ-ZJUUUORDSA-N 0 0 179.238 2.996 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)C[C@@H](CO)C2 606304414 346980935 /nfs/dbraw/zinc/98/09/35/346980935.db2.gz YLHLIPPONPPHEP-JBLDHEPKSA-N 0 0 182.307 2.831 10 0 AFAERN Cc1ccc([C@@H]2CCC[C@H]2F)nc1 606304258 346981004 /nfs/dbraw/zinc/98/10/04/346981004.db2.gz TYYNZBBOAJWUAJ-NXEZZACHSA-N 0 0 179.238 2.996 10 0 AFAERN Cc1ccc([C@H]2CCC[C@@H]2F)nc1 606304259 346981020 /nfs/dbraw/zinc/98/10/20/346981020.db2.gz TYYNZBBOAJWUAJ-UWVGGRQHSA-N 0 0 179.238 2.996 10 0 AFAERN FCC12CCC(CC1)C2 606304416 346981060 /nfs/dbraw/zinc/98/10/60/346981060.db2.gz YNBMYAZFMMNSKA-UHFFFAOYSA-N 0 0 128.190 2.536 10 0 AFAERN C[C@H]1C[C@H]1CNC(=O)CCC(C)(C)C 606352509 346981465 /nfs/dbraw/zinc/98/14/65/346981465.db2.gz TYNXFNRVDXVWKD-UWVGGRQHSA-N 0 0 197.322 2.585 10 0 AFAERN C[C@H]1C[C@@H]1CNC(=O)CCC(C)(C)C 606352510 346981650 /nfs/dbraw/zinc/98/16/50/346981650.db2.gz TYNXFNRVDXVWKD-VHSXEESVSA-N 0 0 197.322 2.585 10 0 AFAERN C[C@@H]1C[C@@H]1CNC(=O)CCC(C)(C)C 606352508 346981656 /nfs/dbraw/zinc/98/16/56/346981656.db2.gz TYNXFNRVDXVWKD-NXEZZACHSA-N 0 0 197.322 2.585 10 0 AFAERN C[C@@H]1C[C@H]1CNC(=O)CCC(C)(C)C 606352511 346981674 /nfs/dbraw/zinc/98/16/74/346981674.db2.gz TYNXFNRVDXVWKD-ZJUUUORDSA-N 0 0 197.322 2.585 10 0 AFAERN COc1ccc2occ(CCF)c2c1 606304459 346981727 /nfs/dbraw/zinc/98/17/27/346981727.db2.gz ZJKLKEBMCHLXGV-UHFFFAOYSA-N 0 0 194.205 2.953 10 0 AFAERN CCC[C@H](C)C(=O)NC[C@@H](C)C(C)C 606802276 346984074 /nfs/dbraw/zinc/98/40/74/346984074.db2.gz DHDDRNZJYMINQB-WDEREUQCSA-N 0 0 199.338 2.831 10 0 AFAERN CCC(C)(C)C(=O)NC[C@@H](C)C(C)C 606802895 346984077 /nfs/dbraw/zinc/98/40/77/346984077.db2.gz MBHBGDMGRNBHGF-SNVBAGLBSA-N 0 0 199.338 2.831 10 0 AFAERN CCC(CC)C(=O)NC[C@@H](C)C(C)C 606806274 346984092 /nfs/dbraw/zinc/98/40/92/346984092.db2.gz SFQGUDLXGMCBPC-SNVBAGLBSA-N 0 0 199.338 2.831 10 0 AFAERN CC(C)[C@H](C)CNC(=O)[C@H](C)C(C)C 606805741 346984100 /nfs/dbraw/zinc/98/41/00/346984100.db2.gz OHRUUGMPORXHQB-GHMZBOCLSA-N 0 0 199.338 2.687 10 0 AFAERN CC(C)[C@H](C)CNC(=O)[C@@H](C)C(C)C 606805742 346984104 /nfs/dbraw/zinc/98/41/04/346984104.db2.gz OHRUUGMPORXHQB-MNOVXSKESA-N 0 0 199.338 2.687 10 0 AFAERN CC(C)[C@H](C)C(=O)NC[C@H](C)C(C)C 606805743 346984120 /nfs/dbraw/zinc/98/41/20/346984120.db2.gz OHRUUGMPORXHQB-QWRGUYRKSA-N 0 0 199.338 2.687 10 0 AFAERN CC(C)[C@H](C)CNC(=O)C1CCCC1 606804140 346984135 /nfs/dbraw/zinc/98/41/35/346984135.db2.gz WTVYOGJRDNGCLR-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(CC)C(=O)NC[C@H](C)C(C)C 606806273 346984183 /nfs/dbraw/zinc/98/41/83/346984183.db2.gz SFQGUDLXGMCBPC-JTQLQIEISA-N 0 0 199.338 2.831 10 0 AFAERN CCC(C)(C)C(=O)NC[C@H](C)C(C)C 606802893 346984208 /nfs/dbraw/zinc/98/42/08/346984208.db2.gz MBHBGDMGRNBHGF-JTQLQIEISA-N 0 0 199.338 2.831 10 0 AFAERN CC(C)[C@@H](C)CNC(=O)CCC1CC1 606806939 346984214 /nfs/dbraw/zinc/98/42/14/346984214.db2.gz LSVXEMCJPAVUPR-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CCC[C@@H](C)C(=O)NC[C@H](C)C(C)C 606802272 346984220 /nfs/dbraw/zinc/98/42/20/346984220.db2.gz DHDDRNZJYMINQB-MNOVXSKESA-N 0 0 199.338 2.831 10 0 AFAERN CCCCCC(=O)NC[C@@H](C)C(C)C 606806053 346984222 /nfs/dbraw/zinc/98/42/22/346984222.db2.gz AQEZPYDYKHWGIK-LLVKDONJSA-N 0 0 199.338 2.975 10 0 AFAERN CC(C)[C@H](C)CNC(=O)CCC1CC1 606806941 346984223 /nfs/dbraw/zinc/98/42/23/346984223.db2.gz LSVXEMCJPAVUPR-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CCC[C@@H](C)C(=O)NC[C@@H](C)C(C)C 606802257 346984228 /nfs/dbraw/zinc/98/42/28/346984228.db2.gz DHDDRNZJYMINQB-GHMZBOCLSA-N 0 0 199.338 2.831 10 0 AFAERN CC(C)[C@@H](C)CNC(=O)C1CCCC1 606804139 346984231 /nfs/dbraw/zinc/98/42/31/346984231.db2.gz WTVYOGJRDNGCLR-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)[C@@H](C)CNC(=O)CC(C)(C)C 606803832 346984235 /nfs/dbraw/zinc/98/42/35/346984235.db2.gz QWKJMFUMRUVYCJ-JTQLQIEISA-N 0 0 199.338 2.831 10 0 AFAERN CC(C)CCC(=O)NC[C@H](C)C(C)C 606802808 346984236 /nfs/dbraw/zinc/98/42/36/346984236.db2.gz BBIBOBHRKTZEGP-NSHDSACASA-N 0 0 199.338 2.831 10 0 AFAERN CCC[C@H](C)C(=O)NC[C@H](C)C(C)C 606802275 346984239 /nfs/dbraw/zinc/98/42/39/346984239.db2.gz DHDDRNZJYMINQB-QWRGUYRKSA-N 0 0 199.338 2.831 10 0 AFAERN CC(C)[C@H](C)CNC(=O)CC(C)(C)C 606803833 346984240 /nfs/dbraw/zinc/98/42/40/346984240.db2.gz QWKJMFUMRUVYCJ-SNVBAGLBSA-N 0 0 199.338 2.831 10 0 AFAERN CCCCCC(=O)NC[C@H](C)C(C)C 606806054 346984241 /nfs/dbraw/zinc/98/42/41/346984241.db2.gz AQEZPYDYKHWGIK-NSHDSACASA-N 0 0 199.338 2.975 10 0 AFAERN CC(C)[C@@H](C)CNC(=O)[C@H](C)C(C)C 606805744 346984242 /nfs/dbraw/zinc/98/42/42/346984242.db2.gz OHRUUGMPORXHQB-WDEREUQCSA-N 0 0 199.338 2.687 10 0 AFAERN CC(C)CCC(=O)NC[C@@H](C)C(C)C 606802807 346984252 /nfs/dbraw/zinc/98/42/52/346984252.db2.gz BBIBOBHRKTZEGP-LLVKDONJSA-N 0 0 199.338 2.831 10 0 AFAERN CCCN1CC2(CC2)c2ccccc21 606898496 346986458 /nfs/dbraw/zinc/98/64/58/346986458.db2.gz IXOYPQLSUBSAOV-UHFFFAOYSA-N 0 0 187.286 2.948 10 0 AFAERN CC[C@H](C)C(=O)N(C(C)C)C1CCC1 607065808 346987864 /nfs/dbraw/zinc/98/78/64/346987864.db2.gz AEQYUFGAVIZRSM-JTQLQIEISA-N 0 0 197.322 2.822 10 0 AFAERN CC[C@@H](C)C(=O)N(C(C)C)C1CCC1 607065811 346987869 /nfs/dbraw/zinc/98/78/69/346987869.db2.gz AEQYUFGAVIZRSM-SNVBAGLBSA-N 0 0 197.322 2.822 10 0 AFAERN CCC(C)(CC)NC(=O)C1CC=CC1 607063135 346987882 /nfs/dbraw/zinc/98/78/82/346987882.db2.gz YPUHXCPDWSCJOM-UHFFFAOYSA-N 0 0 195.306 2.648 10 0 AFAERN CCCCCC(=O)N1C[C@H](C)C[C@@H]1C 607119337 346987889 /nfs/dbraw/zinc/98/78/89/346987889.db2.gz AIQLPCVRSRHTEZ-MNOVXSKESA-N 0 0 197.322 2.824 10 0 AFAERN CCCCCC(=O)N1C[C@H](C)C[C@H]1C 607119335 346987899 /nfs/dbraw/zinc/98/78/99/346987899.db2.gz AIQLPCVRSRHTEZ-GHMZBOCLSA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)N(C(=O)C1CC=CC1)C(C)C 607063002 346987974 /nfs/dbraw/zinc/98/79/74/346987974.db2.gz FMZPZBGNBIQOCB-UHFFFAOYSA-N 0 0 195.306 2.598 10 0 AFAERN CCCCCC(=O)N1C[C@@H](C)C[C@H]1C 607119343 346988029 /nfs/dbraw/zinc/98/80/29/346988029.db2.gz AIQLPCVRSRHTEZ-WDEREUQCSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCCC(=O)N1C[C@@H](C)C[C@@H]1C 607119340 346988071 /nfs/dbraw/zinc/98/80/71/346988071.db2.gz AIQLPCVRSRHTEZ-QWRGUYRKSA-N 0 0 197.322 2.824 10 0 AFAERN CCC(C)(C)CCOc1nc(C)no1 608102088 346999040 /nfs/dbraw/zinc/99/90/40/346999040.db2.gz AONJVSYYFGGSAE-UHFFFAOYSA-N 0 0 198.266 2.583 10 0 AFAERN CCCCN(CC)C(=O)CC1CCC1 608103251 346999645 /nfs/dbraw/zinc/99/96/45/346999645.db2.gz BXXQPHRYOCUAPE-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CN(CC(C)(C)C)C(=O)CC1CCC1 608124175 346999686 /nfs/dbraw/zinc/99/96/86/346999686.db2.gz BVPIWCSULKAIHV-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCC(C)(CC)NC(=O)CC1CCC1 608134447 346999769 /nfs/dbraw/zinc/99/97/69/346999769.db2.gz KCYAJQUTURNPEM-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@@H](C)CN(C)C(=O)CC1CCC1 608132346 346999802 /nfs/dbraw/zinc/99/98/02/346999802.db2.gz HMRVIXTVXSJAKR-SNVBAGLBSA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@H](C)CN(C)C(=O)CC1CCC1 608132345 346999850 /nfs/dbraw/zinc/99/98/50/346999850.db2.gz HMRVIXTVXSJAKR-JTQLQIEISA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)[C@@H](C)CNC(=O)CC1CCC1 608139868 347000340 /nfs/dbraw/zinc/00/03/40/347000340.db2.gz QBVCNCQGEWQCOH-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CCC(C)(C)N(C)C(=O)CC1CCC1 608138156 347000450 /nfs/dbraw/zinc/00/04/50/347000450.db2.gz GEQGBYGIRYGFOL-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)[C@H](C)CNC(=O)CC1CCC1 608139869 347000489 /nfs/dbraw/zinc/00/04/89/347000489.db2.gz QBVCNCQGEWQCOH-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CCCCCC(=O)N1CCC(C)(C)C1 608217871 347001157 /nfs/dbraw/zinc/00/11/57/347001157.db2.gz CXLWUNDTCJJFFB-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CCC(C)(C)CC(=O)N(C)CC1CC1 608583802 347012292 /nfs/dbraw/zinc/01/22/92/347012292.db2.gz IHRBXEFXPYWPGP-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCC(C)(C)CC(=O)NC[C@@H]1C[C@H]1C 608583570 347012295 /nfs/dbraw/zinc/01/22/95/347012295.db2.gz MLQMXDQHKWHGOA-ZJUUUORDSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(C)(C)CC(=O)N[C@@H]1CC1(C)C 608584329 347012305 /nfs/dbraw/zinc/01/23/05/347012305.db2.gz XLZQDFZZOULWIL-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)CC(=O)NC[C@H]1C[C@H]1C 608583567 347012317 /nfs/dbraw/zinc/01/23/17/347012317.db2.gz MLQMXDQHKWHGOA-NXEZZACHSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(C)(C)CC(=O)NC[C@@H]1C[C@@H]1C 608583568 347012448 /nfs/dbraw/zinc/01/24/48/347012448.db2.gz MLQMXDQHKWHGOA-UWVGGRQHSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(C)(C)CC(=O)NC[C@H]1C[C@@H]1C 608583569 347012483 /nfs/dbraw/zinc/01/24/83/347012483.db2.gz MLQMXDQHKWHGOA-VHSXEESVSA-N 0 0 197.322 2.585 10 0 AFAERN COC(=O)C/C=C/c1ccc(C)cc1 610654566 347028191 /nfs/dbraw/zinc/02/81/91/347028191.db2.gz WGECJKFADBOHLY-ONEGZZNKSA-N 0 0 190.242 2.571 10 0 AFAERN CCc1oc(C(=O)OC(C)C)cc1C 610765027 347031875 /nfs/dbraw/zinc/03/18/75/347031875.db2.gz IVVHZBQAJDIWAD-UHFFFAOYSA-N 0 0 196.246 2.716 10 0 AFAERN CCc1cc(C)c(C(=O)OC(C)C)o1 610860790 347032646 /nfs/dbraw/zinc/03/26/46/347032646.db2.gz AZAPAEFVONZZEW-UHFFFAOYSA-N 0 0 196.246 2.716 10 0 AFAERN CC(C)=CCNC(=O)[C@@H]1CCC1(C)C 613916619 347065567 /nfs/dbraw/zinc/06/55/67/347065567.db2.gz XJQXBBNTBFYZJX-JTQLQIEISA-N 0 0 195.306 2.505 10 0 AFAERN CC(C)=CCNC(=O)[C@H]1CCC1(C)C 613916620 347065709 /nfs/dbraw/zinc/06/57/09/347065709.db2.gz XJQXBBNTBFYZJX-SNVBAGLBSA-N 0 0 195.306 2.505 10 0 AFAERN CCN(C)[C@H](C)c1c(F)cccc1F 614051824 347067248 /nfs/dbraw/zinc/06/72/48/347067248.db2.gz WRSDNTKYEVLJFP-MRVPVSSYSA-N 0 0 199.244 2.978 10 0 AFAERN CCN(C)[C@@H](C)c1c(F)cccc1F 614051825 347067363 /nfs/dbraw/zinc/06/73/63/347067363.db2.gz WRSDNTKYEVLJFP-QMMMGPOBSA-N 0 0 199.244 2.978 10 0 AFAERN Cc1nn(CC2CCCC2)c(C)c1C 614188562 347068768 /nfs/dbraw/zinc/06/87/68/347068768.db2.gz FHGICNRKFVDOSH-UHFFFAOYSA-N 0 0 192.306 2.999 10 0 AFAERN CC/C=C/CNC(=O)[C@H]1CCC1(C)C 615733231 347082838 /nfs/dbraw/zinc/08/28/38/347082838.db2.gz HPKWQUDDQJPZPR-BRAIEQGRSA-N 0 0 195.306 2.505 10 0 AFAERN CC/C=C/CNC(=O)[C@@H]1CCC1(C)C 615733239 347082957 /nfs/dbraw/zinc/08/29/57/347082957.db2.gz HPKWQUDDQJPZPR-PORFMDCZSA-N 0 0 195.306 2.505 10 0 AFAERN CC/C=C\CNC(=O)[C@@H]1CCC1(C)C 615733238 347083047 /nfs/dbraw/zinc/08/30/47/347083047.db2.gz HPKWQUDDQJPZPR-OMMCCPJFSA-N 0 0 195.306 2.505 10 0 AFAERN CC/C=C\CNC(=O)[C@H]1CCC1(C)C 615733240 347083053 /nfs/dbraw/zinc/08/30/53/347083053.db2.gz HPKWQUDDQJPZPR-WWQCOOJYSA-N 0 0 195.306 2.505 10 0 AFAERN CN(c1ccccc1)c1ccccc1 616566890 347094419 /nfs/dbraw/zinc/09/44/19/347094419.db2.gz IQOGDMYPLDXPPK-UHFFFAOYSA-N 0 0 182.246 2.936 10 0 AFAERN CN(C(=O)[C@@H]1CCC1(C)C)C(C)(C)C 616490207 347094425 /nfs/dbraw/zinc/09/44/25/347094425.db2.gz OVPQKLGHDCLSBT-VIFPVBQESA-N 0 0 197.322 2.680 10 0 AFAERN CN(C(=O)[C@H]1CCC1(C)C)C(C)(C)C 616490206 347094557 /nfs/dbraw/zinc/09/45/57/347094557.db2.gz OVPQKLGHDCLSBT-SECBINFHSA-N 0 0 197.322 2.680 10 0 AFAERN CC[S@@](=N)(=O)C1CCC(C)CC1 616568216 347095419 /nfs/dbraw/zinc/09/54/19/347095419.db2.gz GPGBILHKCZZCAI-SHVIVCPWSA-N 0 0 189.324 2.632 10 0 AFAERN CC(C)[S@@](=N)(=O)[C@@H]1CC[C@@H](C)C1 616568301 347095448 /nfs/dbraw/zinc/09/54/48/347095448.db2.gz IKCAIYSPGAWDHC-KBVBSXBZSA-N 0 0 189.324 2.630 10 0 AFAERN CC(C)[S@](=N)(=O)[C@@H]1CC[C@@H](C)C1 616568306 347095466 /nfs/dbraw/zinc/09/54/66/347095466.db2.gz IKCAIYSPGAWDHC-LNLATYFQSA-N 0 0 189.324 2.630 10 0 AFAERN CC(C)[S@@](=N)(=O)[C@H]1CC[C@@H](C)C1 616568309 347095469 /nfs/dbraw/zinc/09/54/69/347095469.db2.gz IKCAIYSPGAWDHC-VDDIYKPWSA-N 0 0 189.324 2.630 10 0 AFAERN CC[S@](=N)(=O)C1CCC(C)CC1 616568215 347095519 /nfs/dbraw/zinc/09/55/19/347095519.db2.gz GPGBILHKCZZCAI-KWPJZBAWSA-N 0 0 189.324 2.632 10 0 AFAERN CC(C)[S@](=N)(=O)[C@H]1CC[C@@H](C)C1 616568307 347095799 /nfs/dbraw/zinc/09/57/99/347095799.db2.gz IKCAIYSPGAWDHC-PTRXPTGYSA-N 0 0 189.324 2.630 10 0 AFAERN CC[S@](=N)(=O)[C@@H]1CCC[C@@H](C)C1 616569172 347096284 /nfs/dbraw/zinc/09/62/84/347096284.db2.gz RDFVAGXKOLKXEK-LNLATYFQSA-N 0 0 189.324 2.632 10 0 AFAERN CC1(C)CCC([S@](C)(=N)=O)CC1 616569137 347096494 /nfs/dbraw/zinc/09/64/94/347096494.db2.gz QVUHBZVHMSRGKP-GFCCVEGCSA-N 0 0 189.324 2.632 10 0 AFAERN CC1(C)CCC([S@@](C)(=N)=O)CC1 616569138 347096517 /nfs/dbraw/zinc/09/65/17/347096517.db2.gz QVUHBZVHMSRGKP-LBPRGKRZSA-N 0 0 189.324 2.632 10 0 AFAERN CC[S@](=N)(=O)[C@H]1CCC[C@H](C)C1 616569171 347096578 /nfs/dbraw/zinc/09/65/78/347096578.db2.gz RDFVAGXKOLKXEK-AUTRQRHGSA-N 0 0 189.324 2.632 10 0 AFAERN CC[S@](=N)(=O)[C@@H]1CCC[C@H](C)C1 616569174 347097166 /nfs/dbraw/zinc/09/71/66/347097166.db2.gz RDFVAGXKOLKXEK-SBMIAAHKSA-N 0 0 189.324 2.632 10 0 AFAERN CC[S@](=N)(=O)[C@H]1CCC[C@@H](C)C1 616569173 347097205 /nfs/dbraw/zinc/09/72/05/347097205.db2.gz RDFVAGXKOLKXEK-PTRXPTGYSA-N 0 0 189.324 2.632 10 0 AFAERN Cc1conc1CNc1ccsc1 616572233 347100503 /nfs/dbraw/zinc/10/05/03/347100503.db2.gz QGWKYSGTGBBYQU-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN Cc1conc1CNc1ccccc1 616573586 347101743 /nfs/dbraw/zinc/10/17/43/347101743.db2.gz ZXEHTZOTIRXRDO-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1ccc(-c2cncn2C)cc1F 616574201 347102427 /nfs/dbraw/zinc/10/24/27/347102427.db2.gz LCCZBZSZDSBIEJ-UHFFFAOYSA-N 0 0 190.221 2.535 10 0 AFAERN Cc1coc(-c2ccccc2F)n1 616574690 347102678 /nfs/dbraw/zinc/10/26/78/347102678.db2.gz QNZDIAVFGDBGNS-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN Cc1ccc(-c2cccnn2)cc1F 616575097 347102776 /nfs/dbraw/zinc/10/27/76/347102776.db2.gz WGSDJDLMGHCXSJ-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CCC1CCC([S@@](C)(=N)=O)CC1 616577121 347103355 /nfs/dbraw/zinc/10/33/55/347103355.db2.gz ISOFPWRBROFZND-KWPJZBAWSA-N 0 0 189.324 2.632 10 0 AFAERN CC1(C)CCC(=O)N1c1ccccc1 616576722 347103394 /nfs/dbraw/zinc/10/33/94/347103394.db2.gz NOERWOVIFOONNX-UHFFFAOYSA-N 0 0 189.258 2.592 10 0 AFAERN CCCCCN1C(=O)CCC1(C)C 616576972 347103480 /nfs/dbraw/zinc/10/34/80/347103480.db2.gz RDKWAHZAHOIHEY-UHFFFAOYSA-N 0 0 183.295 2.578 10 0 AFAERN CCC1CCC([S@](C)(=N)=O)CC1 616577122 347103483 /nfs/dbraw/zinc/10/34/83/347103483.db2.gz ISOFPWRBROFZND-SHVIVCPWSA-N 0 0 189.324 2.632 10 0 AFAERN CCc1ccc([C@H]2NC2(C)C)cc1 616577676 347104063 /nfs/dbraw/zinc/10/40/63/347104063.db2.gz KNPBUOGXJFBUIE-LLVKDONJSA-N 0 0 175.275 2.672 10 0 AFAERN CCc1ccc([C@@H]2NC2(C)C)cc1 616577678 347104155 /nfs/dbraw/zinc/10/41/55/347104155.db2.gz KNPBUOGXJFBUIE-NSHDSACASA-N 0 0 175.275 2.672 10 0 AFAERN CC(C)Cc1c(F)cccc1C=O 616579406 347104174 /nfs/dbraw/zinc/10/41/74/347104174.db2.gz SUOSZLGCXCRRKI-UHFFFAOYSA-N 0 0 180.222 2.837 10 0 AFAERN COC(=O)c1ccccc1C=C(F)F 616591717 347105694 /nfs/dbraw/zinc/10/56/94/347105694.db2.gz QIIBFCKBZKHZNL-UHFFFAOYSA-N 0 0 198.168 2.711 10 0 AFAERN CC(C)(O)C(C)(C)c1ccsc1 616583000 347105910 /nfs/dbraw/zinc/10/59/10/347105910.db2.gz SQLAQJVBDGJAQY-UHFFFAOYSA-N 0 0 184.304 2.797 10 0 AFAERN CCOc1ccc2nc(F)sc2c1 616588334 347105929 /nfs/dbraw/zinc/10/59/29/347105929.db2.gz DARVKHCRUXLUJA-UHFFFAOYSA-N 0 0 197.234 2.834 10 0 AFAERN Fc1ncc(Cc2ccccc2)s1 616591808 347106049 /nfs/dbraw/zinc/10/60/49/347106049.db2.gz TWQNOJUUHAMCAL-UHFFFAOYSA-N 0 0 193.246 2.873 10 0 AFAERN CC1(C)CCO[C@@H]1c1ccco1 616593216 347106869 /nfs/dbraw/zinc/10/68/69/347106869.db2.gz USVJASGSYGAHMH-SECBINFHSA-N 0 0 166.220 2.767 10 0 AFAERN CC1(C)CCO[C@H]1c1ccco1 616593289 347107051 /nfs/dbraw/zinc/10/70/51/347107051.db2.gz USVJASGSYGAHMH-VIFPVBQESA-N 0 0 166.220 2.767 10 0 AFAERN F[C@H]1CCCN1Cc1ccccc1 616606611 347110986 /nfs/dbraw/zinc/11/09/86/347110986.db2.gz GATAPIBCHULPFD-LLVKDONJSA-N 0 0 179.238 2.578 10 0 AFAERN CC(=O)N1CCCCC[C@@H]1C(C)(C)C 616606025 347111054 /nfs/dbraw/zinc/11/10/54/347111054.db2.gz VZVSMPMJTDHQDC-LLVKDONJSA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)(C)N1CCC[C@@H]1C(F)F 616606441 347111461 /nfs/dbraw/zinc/11/14/61/347111461.db2.gz HGUUOUSMOAIGPD-SSDOTTSWSA-N 0 0 177.238 2.514 10 0 AFAERN CC(C)(C)N1CCC[C@H]1C(F)F 616607127 347112357 /nfs/dbraw/zinc/11/23/57/347112357.db2.gz HGUUOUSMOAIGPD-ZETCQYMHSA-N 0 0 177.238 2.514 10 0 AFAERN CCOC(=O)N1CCC[C@@H]1C(C)(C)C 616606816 347112441 /nfs/dbraw/zinc/11/24/41/347112441.db2.gz IQGZYWMCVYJVHF-SECBINFHSA-N 0 0 199.294 2.653 10 0 AFAERN COC(=O)N1CCCC[C@@H]1C(C)(C)C 616613230 347118721 /nfs/dbraw/zinc/11/87/21/347118721.db2.gz QVBYEFYSJMNUST-SECBINFHSA-N 0 0 199.294 2.653 10 0 AFAERN CC(C)(C)N1CCCC[C@@H]1F 616613914 347119288 /nfs/dbraw/zinc/11/92/88/347119288.db2.gz DTKUBNNXELBXKV-MRVPVSSYSA-N 0 0 159.248 2.566 10 0 AFAERN CC(C)(C)N1CCCC[C@@H]1C(F)F 616614231 347120896 /nfs/dbraw/zinc/12/08/96/347120896.db2.gz LORGDCKIYLLXEV-MRVPVSSYSA-N 0 0 191.265 2.905 10 0 AFAERN CC(C)(C)N1CCCC[C@H]1C(F)F 616615468 347122075 /nfs/dbraw/zinc/12/20/75/347122075.db2.gz LORGDCKIYLLXEV-QMMMGPOBSA-N 0 0 191.265 2.905 10 0 AFAERN CC(C)(C)N1CCCC[C@H]1F 616615158 347122126 /nfs/dbraw/zinc/12/21/26/347122126.db2.gz DTKUBNNXELBXKV-QMMMGPOBSA-N 0 0 159.248 2.566 10 0 AFAERN COC(=O)N1CCCC[C@H]1C(C)(C)C 616616805 347122755 /nfs/dbraw/zinc/12/27/55/347122755.db2.gz QVBYEFYSJMNUST-VIFPVBQESA-N 0 0 199.294 2.653 10 0 AFAERN CCN1CCCCC[C@H]1C(F)(F)F 616621269 347126968 /nfs/dbraw/zinc/12/69/68/347126968.db2.gz MGBKFIOLCATILM-QMMMGPOBSA-N 0 0 195.228 2.813 10 0 AFAERN CCN1CCCCC[C@H]1C(F)F 616621685 347126991 /nfs/dbraw/zinc/12/69/91/347126991.db2.gz NRPCTXGFTLUPSF-QMMMGPOBSA-N 0 0 177.238 2.516 10 0 AFAERN CC(C)(C)N1CCCCC[C@H]1F 616621106 347127139 /nfs/dbraw/zinc/12/71/39/347127139.db2.gz KRTPQBGPHGMSBL-VIFPVBQESA-N 0 0 173.275 2.957 10 0 AFAERN CC(C)N1CCCCC[C@H]1F 616621066 347127290 /nfs/dbraw/zinc/12/72/90/347127290.db2.gz JWHOAUZDFVFOFM-VIFPVBQESA-N 0 0 159.248 2.566 10 0 AFAERN CC(C)N1CCCCC[C@H]1C(F)F 616621833 347127643 /nfs/dbraw/zinc/12/76/43/347127643.db2.gz PJZKPVRQWDCMOM-VIFPVBQESA-N 0 0 191.265 2.905 10 0 AFAERN CC(C)(C)N1CCCCC[C@@H]1F 616622985 347127898 /nfs/dbraw/zinc/12/78/98/347127898.db2.gz KRTPQBGPHGMSBL-SECBINFHSA-N 0 0 173.275 2.957 10 0 AFAERN CCN1CCCCC[C@@H]1C(F)F 616623572 347127950 /nfs/dbraw/zinc/12/79/50/347127950.db2.gz NRPCTXGFTLUPSF-MRVPVSSYSA-N 0 0 177.238 2.516 10 0 AFAERN CCN1CCCCC[C@@H]1C(F)(F)F 616623160 347128032 /nfs/dbraw/zinc/12/80/32/347128032.db2.gz MGBKFIOLCATILM-MRVPVSSYSA-N 0 0 195.228 2.813 10 0 AFAERN CC(C)N1CCCCC[C@@H]1F 616622920 347128437 /nfs/dbraw/zinc/12/84/37/347128437.db2.gz JWHOAUZDFVFOFM-SECBINFHSA-N 0 0 159.248 2.566 10 0 AFAERN CC(C)N1CCCCC[C@@H]1C(F)F 616623630 347128619 /nfs/dbraw/zinc/12/86/19/347128619.db2.gz PJZKPVRQWDCMOM-SECBINFHSA-N 0 0 191.265 2.905 10 0 AFAERN CCOC(=O)N1CCCC[C@H](CC)C1 616628172 347129905 /nfs/dbraw/zinc/12/99/05/347129905.db2.gz KZVNIDRIZNCHST-JTQLQIEISA-N 0 0 199.294 2.655 10 0 AFAERN CC(=O)N1CCCC[C@H](C(C)(C)C)C1 616627668 347129979 /nfs/dbraw/zinc/12/99/79/347129979.db2.gz MNONVUAUCFZLLN-NSHDSACASA-N 0 0 197.322 2.681 10 0 AFAERN COC(=O)N1CCCC[C@H](C(C)C)C1 616627282 347130295 /nfs/dbraw/zinc/13/02/95/347130295.db2.gz GUKXGFWHNWRANF-JTQLQIEISA-N 0 0 199.294 2.511 10 0 AFAERN F[C@@H]1CCCN1Cc1ccccc1 616631062 347131828 /nfs/dbraw/zinc/13/18/28/347131828.db2.gz GATAPIBCHULPFD-NSHDSACASA-N 0 0 179.238 2.578 10 0 AFAERN CCOC(=O)N1CCC[C@H]1C(C)(C)C 616632161 347132612 /nfs/dbraw/zinc/13/26/12/347132612.db2.gz IQGZYWMCVYJVHF-VIFPVBQESA-N 0 0 199.294 2.653 10 0 AFAERN CC(=O)N1CCCCC[C@H]1C(C)(C)C 616634050 347135158 /nfs/dbraw/zinc/13/51/58/347135158.db2.gz VZVSMPMJTDHQDC-NSHDSACASA-N 0 0 197.322 2.824 10 0 AFAERN COC(=O)N1CCCC[C@@H](C(C)C)C1 616652800 347153861 /nfs/dbraw/zinc/15/38/61/347153861.db2.gz GUKXGFWHNWRANF-SNVBAGLBSA-N 0 0 199.294 2.511 10 0 AFAERN CCOC(=O)N1CCCC[C@@H](CC)C1 616652961 347153959 /nfs/dbraw/zinc/15/39/59/347153959.db2.gz KZVNIDRIZNCHST-SNVBAGLBSA-N 0 0 199.294 2.655 10 0 AFAERN c1ccc2c(c1)CC[C@H](c1ncc[nH]1)N2 616669010 347165509 /nfs/dbraw/zinc/16/55/09/347165509.db2.gz LOJOWACNHSLFMW-LLVKDONJSA-N 0 0 199.257 2.509 10 0 AFAERN c1ccc2c(c1)CC[C@H](c1c[nH]cn1)N2 616668070 347165674 /nfs/dbraw/zinc/16/56/74/347165674.db2.gz HEJGWZYTDIHZDL-LLVKDONJSA-N 0 0 199.257 2.509 10 0 AFAERN CC(C)N1C[C@H](F)Cc2ccccc21 616670734 347165701 /nfs/dbraw/zinc/16/57/01/347165701.db2.gz OAJMPMKXPNOFPZ-LLVKDONJSA-N 0 0 193.265 2.796 10 0 AFAERN CN1c2ccccc2CC[C@H]1C(F)F 616668741 347165708 /nfs/dbraw/zinc/16/57/08/347165708.db2.gz FGDLHIKBYUKTBP-JTQLQIEISA-N 0 0 197.228 2.703 10 0 AFAERN FC(F)[C@@H]1CCc2ccccc2N1 616666671 347165738 /nfs/dbraw/zinc/16/57/38/347165738.db2.gz QCPXDTIJWKKBIH-VIFPVBQESA-N 0 0 183.201 2.678 10 0 AFAERN FC(F)[C@H]1CCc2ccccc2N1 616669540 347165745 /nfs/dbraw/zinc/16/57/45/347165745.db2.gz QCPXDTIJWKKBIH-SECBINFHSA-N 0 0 183.201 2.678 10 0 AFAERN c1ccc2c(c1)CC[C@@H](c1cc[nH]n1)N2 616666746 347165748 /nfs/dbraw/zinc/16/57/48/347165748.db2.gz UHSXNWGRKDAHJB-NSHDSACASA-N 0 0 199.257 2.509 10 0 AFAERN CN1C[C@@H](C(F)F)Cc2ccccc21 616669627 347165752 /nfs/dbraw/zinc/16/57/52/347165752.db2.gz BZYQXFZTHGBNMV-VIFPVBQESA-N 0 0 197.228 2.560 10 0 AFAERN c1ccc2c(c1)CC[C@@H](c1c[nH]cn1)N2 616666165 347165839 /nfs/dbraw/zinc/16/58/39/347165839.db2.gz HEJGWZYTDIHZDL-NSHDSACASA-N 0 0 199.257 2.509 10 0 AFAERN CCN1c2ccccc2CC[C@@H]1F 616669269 347165909 /nfs/dbraw/zinc/16/59/09/347165909.db2.gz QQFVYSCDKBYFDO-LLVKDONJSA-N 0 0 179.238 2.755 10 0 AFAERN CN1C[C@H](C(F)F)Cc2ccccc21 616668537 347165950 /nfs/dbraw/zinc/16/59/50/347165950.db2.gz BZYQXFZTHGBNMV-SECBINFHSA-N 0 0 197.228 2.560 10 0 AFAERN c1ccc2c(c1)CC[C@@H](c1ncc[nH]1)N2 616666457 347165954 /nfs/dbraw/zinc/16/59/54/347165954.db2.gz LOJOWACNHSLFMW-NSHDSACASA-N 0 0 199.257 2.509 10 0 AFAERN c1ccc2c(c1)CC[C@H](c1cc[nH]n1)N2 616670433 347165971 /nfs/dbraw/zinc/16/59/71/347165971.db2.gz UHSXNWGRKDAHJB-LLVKDONJSA-N 0 0 199.257 2.509 10 0 AFAERN CN1CC[C@H](C(F)F)c2ccccc21 616675005 347166253 /nfs/dbraw/zinc/16/62/53/347166253.db2.gz INZPCZSVEWCPQI-VIFPVBQESA-N 0 0 197.228 2.875 10 0 AFAERN CN1CC[C@@H](C(F)F)c2ccccc21 616671907 347166291 /nfs/dbraw/zinc/16/62/91/347166291.db2.gz INZPCZSVEWCPQI-SECBINFHSA-N 0 0 197.228 2.875 10 0 AFAERN CC(C)N1C[C@@H](F)Cc2ccccc21 616673143 347166338 /nfs/dbraw/zinc/16/63/38/347166338.db2.gz OAJMPMKXPNOFPZ-NSHDSACASA-N 0 0 193.265 2.796 10 0 AFAERN CN1CC[C@@H](F)c2ccccc21 616673247 347166453 /nfs/dbraw/zinc/16/64/53/347166453.db2.gz SWWCCUIRQLVTLR-SECBINFHSA-N 0 0 165.211 2.537 10 0 AFAERN CCN1CC[C@@H](F)c2ccccc21 616670937 347166503 /nfs/dbraw/zinc/16/65/03/347166503.db2.gz FBKUYYICDIYZBT-SNVBAGLBSA-N 0 0 179.238 2.927 10 0 AFAERN CCN1c2ccccc2CC[C@H]1F 616671153 347166506 /nfs/dbraw/zinc/16/65/06/347166506.db2.gz QQFVYSCDKBYFDO-NSHDSACASA-N 0 0 179.238 2.755 10 0 AFAERN CN1CC[C@H](F)c2ccccc21 616676341 347166577 /nfs/dbraw/zinc/16/65/77/347166577.db2.gz SWWCCUIRQLVTLR-VIFPVBQESA-N 0 0 165.211 2.537 10 0 AFAERN CCN1CCc2ccccc2[C@@H]1F 616677578 347166609 /nfs/dbraw/zinc/16/66/09/347166609.db2.gz UCEWYELKTXVGJG-LLVKDONJSA-N 0 0 179.238 2.533 10 0 AFAERN CCN1CC[C@H](F)c2ccccc21 616674361 347166639 /nfs/dbraw/zinc/16/66/39/347166639.db2.gz FBKUYYICDIYZBT-JTQLQIEISA-N 0 0 179.238 2.927 10 0 AFAERN CC(C)N1CCc2ccccc2[C@@H]1F 616678851 347167253 /nfs/dbraw/zinc/16/72/53/347167253.db2.gz NKXBBDMVRJVOOT-GFCCVEGCSA-N 0 0 193.265 2.921 10 0 AFAERN CC(C)N1C[C@@H](F)Nc2ccccc21 616681896 347167263 /nfs/dbraw/zinc/16/72/63/347167263.db2.gz ZWJVTZZCBHZIRU-NSHDSACASA-N 0 0 194.253 2.623 10 0 AFAERN CCN1CCc2ccccc2[C@H]1F 616680424 347167475 /nfs/dbraw/zinc/16/74/75/347167475.db2.gz UCEWYELKTXVGJG-NSHDSACASA-N 0 0 179.238 2.533 10 0 AFAERN CC(C)N1C[C@H](F)Nc2ccccc21 616684417 347167990 /nfs/dbraw/zinc/16/79/90/347167990.db2.gz ZWJVTZZCBHZIRU-LLVKDONJSA-N 0 0 194.253 2.623 10 0 AFAERN CC(C)N1c2ccccc2NC[C@@H]1F 616685994 347168361 /nfs/dbraw/zinc/16/83/61/347168361.db2.gz ZTPMVBLODRXRSU-LLVKDONJSA-N 0 0 194.253 2.623 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)N(CC)[C@H](C)CC 616976791 347171099 /nfs/dbraw/zinc/17/10/99/347171099.db2.gz WYWAGAGDFPPNNO-GMTAPVOTSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)N(CC)C(=O)[C@@H]1C[C@H]1CC 616976792 347171102 /nfs/dbraw/zinc/17/11/02/347171102.db2.gz WYWAGAGDFPPNNO-HBNTYKKESA-N 0 0 197.322 2.680 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)[C@H]1C[C@@H]1C 617568372 347175545 /nfs/dbraw/zinc/17/55/45/347175545.db2.gz BBXFZAIUVDWVCF-AEJSXWLSSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)[C@@H]1C[C@H]1C 617568374 347175634 /nfs/dbraw/zinc/17/56/34/347175634.db2.gz BBXFZAIUVDWVCF-KXUCPTDWSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1C[C@H]1C 617568375 347175763 /nfs/dbraw/zinc/17/57/63/347175763.db2.gz BBXFZAIUVDWVCF-OPRDCNLKSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)[C@H]1C[C@@H]1C 617568373 347176138 /nfs/dbraw/zinc/17/61/38/347176138.db2.gz BBXFZAIUVDWVCF-GUBZILKMSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)[C@@H]1C[C@@H]1C 617573307 347176519 /nfs/dbraw/zinc/17/65/19/347176519.db2.gz BBXFZAIUVDWVCF-LPEHRKFASA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)C(=O)N[C@H](C)C(C)(C)CC 617572625 347176540 /nfs/dbraw/zinc/17/65/40/347176540.db2.gz MMYOTDSAECFWBI-VHSXEESVSA-N 0 0 199.338 2.973 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)C1CCC1 617574167 347176584 /nfs/dbraw/zinc/17/65/84/347176584.db2.gz ULEDKUPKSFJGLQ-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC(=O)N[C@H](C)C(C)(C)CC 617574211 347176597 /nfs/dbraw/zinc/17/65/97/347176597.db2.gz VSWKYYWADXJBBZ-SECBINFHSA-N 0 0 185.311 2.727 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)C(C)C 617572827 347176641 /nfs/dbraw/zinc/17/66/41/347176641.db2.gz QRZFJPGONTVNTH-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)CC(C)C 617573846 347176714 /nfs/dbraw/zinc/17/67/14/347176714.db2.gz MRQPODNWHCYVPT-SNVBAGLBSA-N 0 0 199.338 2.973 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)CC1CC1 617572327 347176747 /nfs/dbraw/zinc/17/67/47/347176747.db2.gz GDYSJKGUGHIUFS-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)[C@H]1C[C@H]1C 617573308 347176769 /nfs/dbraw/zinc/17/67/69/347176769.db2.gz BBXFZAIUVDWVCF-UTLUCORTSA-N 0 0 197.322 2.583 10 0 AFAERN CCCC(=O)N[C@@H](C)C(C)(C)CC 617574212 347176873 /nfs/dbraw/zinc/17/68/73/347176873.db2.gz VSWKYYWADXJBBZ-VIFPVBQESA-N 0 0 185.311 2.727 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)CC(C)C 617573845 347176880 /nfs/dbraw/zinc/17/68/80/347176880.db2.gz MRQPODNWHCYVPT-JTQLQIEISA-N 0 0 199.338 2.973 10 0 AFAERN CC[C@@H](C)C(=O)N[C@@H](C)C(C)(C)CC 617572626 347177009 /nfs/dbraw/zinc/17/70/09/347177009.db2.gz MMYOTDSAECFWBI-ZJUUUORDSA-N 0 0 199.338 2.973 10 0 AFAERN CC[C@@H](C)C(=O)N[C@H](C)C(C)(C)CC 617572623 347177016 /nfs/dbraw/zinc/17/70/16/347177016.db2.gz MMYOTDSAECFWBI-NXEZZACHSA-N 0 0 199.338 2.973 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)CC1CC1 617572328 347177021 /nfs/dbraw/zinc/17/70/21/347177021.db2.gz GDYSJKGUGHIUFS-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)C(=O)N[C@@H](C)C(C)(C)CC 617572624 347177034 /nfs/dbraw/zinc/17/70/34/347177034.db2.gz MMYOTDSAECFWBI-UWVGGRQHSA-N 0 0 199.338 2.973 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)C1CCC1 617574168 347177045 /nfs/dbraw/zinc/17/70/45/347177045.db2.gz ULEDKUPKSFJGLQ-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)C(C)C 617572828 347177062 /nfs/dbraw/zinc/17/70/62/347177062.db2.gz QRZFJPGONTVNTH-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@H](C)CCNC(=O)[C@@H]1C[C@H]1CC 617640951 347181263 /nfs/dbraw/zinc/18/12/63/347181263.db2.gz HJXGHAPSBMKZIH-HBNTYKKESA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1CC 617640950 347181356 /nfs/dbraw/zinc/18/13/56/347181356.db2.gz HJXGHAPSBMKZIH-GMTAPVOTSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@H](C)C(=O)N[C@@](C)(CC)C1CC1 618953667 347196025 /nfs/dbraw/zinc/19/60/25/347196025.db2.gz LVACKJZJPCTMOG-CABZTGNLSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@](C)(NC(=O)CC(C)C)C1CC1 618953340 347196051 /nfs/dbraw/zinc/19/60/51/347196051.db2.gz BUMLUEYVJALZQZ-GFCCVEGCSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H](C)C(=O)N[C@](C)(CC)C1CC1 618953666 347196071 /nfs/dbraw/zinc/19/60/71/347196071.db2.gz LVACKJZJPCTMOG-BXKDBHETSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCC(=O)N[C@@](C)(CC)C1CC1 618956083 347196136 /nfs/dbraw/zinc/19/61/36/347196136.db2.gz WXUARDAYLCRIMH-LBPRGKRZSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@@H](C)C(=O)N[C@@](C)(CC)C1CC1 618953669 347196144 /nfs/dbraw/zinc/19/61/44/347196144.db2.gz LVACKJZJPCTMOG-SKDRFNHKSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)C(=O)N[C@](C)(CC)C1CC1 618953668 347196164 /nfs/dbraw/zinc/19/61/64/347196164.db2.gz LVACKJZJPCTMOG-JOYOIKCWSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@](C)(NC(=O)CC(C)C)C1CC1 618953341 347196176 /nfs/dbraw/zinc/19/61/76/347196176.db2.gz BUMLUEYVJALZQZ-LBPRGKRZSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCC(=O)N[C@](C)(CC)C1CC1 618956079 347196182 /nfs/dbraw/zinc/19/61/82/347196182.db2.gz WXUARDAYLCRIMH-GFCCVEGCSA-N 0 0 197.322 2.872 10 0 AFAERN CC(C)OC(=O)c1ccoc1C(C)C 619510323 347201431 /nfs/dbraw/zinc/20/14/31/347201431.db2.gz IEWORTSEOZLBIZ-UHFFFAOYSA-N 0 0 196.246 2.968 10 0 AFAERN CCCCN(C#N)c1cccc(F)c1 619549962 347202817 /nfs/dbraw/zinc/20/28/17/347202817.db2.gz FPSOXDSOEWROCU-UHFFFAOYSA-N 0 0 192.237 2.913 10 0 AFAERN CCCCN(C#N)c1ccccc1F 619622593 347203383 /nfs/dbraw/zinc/20/33/83/347203383.db2.gz CYNKPEZVIGOEHH-UHFFFAOYSA-N 0 0 192.237 2.913 10 0 AFAERN CCCc1occc1C(=O)OC(C)C 619609159 347203663 /nfs/dbraw/zinc/20/36/63/347203663.db2.gz YLLBIIJRVGRQAF-UHFFFAOYSA-N 0 0 196.246 2.797 10 0 AFAERN CC(C)OC(=O)c1ccoc1C1CC1 619609150 347203671 /nfs/dbraw/zinc/20/36/71/347203671.db2.gz NDBIEGVZUDIONO-UHFFFAOYSA-N 0 0 194.230 2.722 10 0 AFAERN CC(C)CN(C#N)c1ccc(F)cc1 619649244 347204575 /nfs/dbraw/zinc/20/45/75/347204575.db2.gz IABTZPAHTHFHEX-UHFFFAOYSA-N 0 0 192.237 2.769 10 0 AFAERN CCCCN(C)Cc1nc(C)c(C)o1 619722939 347205138 /nfs/dbraw/zinc/20/51/38/347205138.db2.gz JMSALEXEXIHFKH-UHFFFAOYSA-N 0 0 196.294 2.523 10 0 AFAERN CCCCC(=O)N[C@H](C(C)C)C1CC1 620036411 347206965 /nfs/dbraw/zinc/20/69/65/347206965.db2.gz FEXQSHKEIBYSBM-GFCCVEGCSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)C(=O)N[C@H](C(C)C)C1CC1 620039100 347207117 /nfs/dbraw/zinc/20/71/17/347207117.db2.gz RVLOQORGKQLTGR-GXSJLCMTSA-N 0 0 197.322 2.583 10 0 AFAERN CCCCC(=O)N[C@@H](C(C)C)C1CC1 620036412 347207188 /nfs/dbraw/zinc/20/71/88/347207188.db2.gz FEXQSHKEIBYSBM-LBPRGKRZSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CC(=O)N[C@H](C(C)C)C1CC1 620034008 347207301 /nfs/dbraw/zinc/20/73/01/347207301.db2.gz OUCFJXFFPHGEND-GFCCVEGCSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)C(=O)N[C@H](C(C)C)C1CC1 620039102 347207424 /nfs/dbraw/zinc/20/74/24/347207424.db2.gz RVLOQORGKQLTGR-MWLCHTKSSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)C(=O)N[C@@H](C(C)C)C1CC1 620039103 347207427 /nfs/dbraw/zinc/20/74/27/347207427.db2.gz RVLOQORGKQLTGR-ONGXEEELSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)CC(=O)N[C@@H](C(C)C)C1CC1 620034009 347207480 /nfs/dbraw/zinc/20/74/80/347207480.db2.gz OUCFJXFFPHGEND-LBPRGKRZSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)C(=O)N[C@@H](C(C)C)C1CC1 620039101 347207513 /nfs/dbraw/zinc/20/75/13/347207513.db2.gz RVLOQORGKQLTGR-KOLCDFICSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@H]1CCN1C(=O)CCC1CCCC1 620211046 347211732 /nfs/dbraw/zinc/21/17/32/347211732.db2.gz BSWKZGZDIDKMQJ-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN C[C@@H]1CCN1C(=O)CCC1CCCC1 620211047 347211785 /nfs/dbraw/zinc/21/17/85/347211785.db2.gz BSWKZGZDIDKMQJ-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CCC(=O)N1[C@@H](C)CCC[C@H]1CC 620571602 347214422 /nfs/dbraw/zinc/21/44/22/347214422.db2.gz AJINYDOTHJMLKO-VHSXEESVSA-N 0 0 183.295 2.576 10 0 AFAERN CC[C@@H](C)CC(=O)NC1CC(C)(C)C1 620739163 347216584 /nfs/dbraw/zinc/21/65/84/347216584.db2.gz NKFQGHLYCDNJAK-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCCC(=O)NC1CC(C)(C)C1 620741750 347216669 /nfs/dbraw/zinc/21/66/69/347216669.db2.gz MAZWVIWIFKTHBT-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CC(C)[C@H](C)C(=O)NC1CC(C)(C)C1 620741422 347216681 /nfs/dbraw/zinc/21/66/81/347216681.db2.gz CKVCHZZFIFJULL-VIFPVBQESA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)(C)CC(=O)NC1CC(C)(C)C1 620741501 347216764 /nfs/dbraw/zinc/21/67/64/347216764.db2.gz KPJABEZJKYTILX-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)C(=O)NC1CC(C)(C)C1 620741302 347216833 /nfs/dbraw/zinc/21/68/33/347216833.db2.gz BNUIGWOWHHFMBA-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@@H](C)C(=O)NC1CC(C)(C)C1 620741300 347216943 /nfs/dbraw/zinc/21/69/43/347216943.db2.gz BNUIGWOWHHFMBA-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)[C@@H](C)C(=O)NC1CC(C)(C)C1 620741420 347216946 /nfs/dbraw/zinc/21/69/46/347216946.db2.gz CKVCHZZFIFJULL-SECBINFHSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)CC(=O)NC1CC(C)(C)C1 620739164 347217001 /nfs/dbraw/zinc/21/70/01/347217001.db2.gz NKFQGHLYCDNJAK-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CCC(=O)NC1CC(C)(C)C1 620745710 347217356 /nfs/dbraw/zinc/21/73/56/347217356.db2.gz UHUKDOCMJVVAJV-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(CC)C(=O)NC1CC(C)(C)C1 620743477 347217398 /nfs/dbraw/zinc/21/73/98/347217398.db2.gz SMVLSWVQACDRBY-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)C(=O)NC1CC(C)(C)C1 620745207 347217823 /nfs/dbraw/zinc/21/78/23/347217823.db2.gz RSPKKEFVPGWFGU-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCCC(=O)N1CC2CC1(C)C2 621211232 347223292 /nfs/dbraw/zinc/22/32/92/347223292.db2.gz ZMKNOAUYMVBMOB-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN FC1(F)C[C@H]1CCNc1ccccn1 621344463 347226648 /nfs/dbraw/zinc/22/66/48/347226648.db2.gz IAPVWMYSGNURQS-MRVPVSSYSA-N 0 0 198.216 2.539 10 0 AFAERN FC1(F)C[C@@H]1CCNc1ccccn1 621344464 347227112 /nfs/dbraw/zinc/22/71/12/347227112.db2.gz IAPVWMYSGNURQS-QMMMGPOBSA-N 0 0 198.216 2.539 10 0 AFAERN CCC[N@@H+]1Cc2ccccc2[C@@H]1C 621398017 347229037 /nfs/dbraw/zinc/22/90/37/347229037.db2.gz DVSFGRQTIKMXKI-JTQLQIEISA-N 0 0 175.275 2.973 10 0 AFAERN Cc1ccccc1N(C)CCCF 622764795 347250326 /nfs/dbraw/zinc/25/03/26/347250326.db2.gz BVWGWLLJOXRHRV-UHFFFAOYSA-N 0 0 181.254 2.791 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)C(C)(C)C 622913856 347250808 /nfs/dbraw/zinc/25/08/08/347250808.db2.gz VFTRDCBLQZOGMS-VIFPVBQESA-N 0 0 199.338 2.973 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)C1(C)CC1 622914765 347251089 /nfs/dbraw/zinc/25/10/89/347251089.db2.gz QHTALXOTYHXLNG-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)C1=CCC1 622914644 347251214 /nfs/dbraw/zinc/25/12/14/347251214.db2.gz OIBDAXJUSWRFLM-SECBINFHSA-N 0 0 195.306 2.648 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)C1=CCC1 622914645 347251223 /nfs/dbraw/zinc/25/12/23/347251223.db2.gz OIBDAXJUSWRFLM-VIFPVBQESA-N 0 0 195.306 2.648 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)C(C)(C)C 622913855 347251227 /nfs/dbraw/zinc/25/12/27/347251227.db2.gz VFTRDCBLQZOGMS-SECBINFHSA-N 0 0 199.338 2.973 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)C1(C)CC1 622914766 347251421 /nfs/dbraw/zinc/25/14/21/347251421.db2.gz QHTALXOTYHXLNG-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)CC(=O)N[C@@H](C)C1CC1 623246526 347253582 /nfs/dbraw/zinc/25/35/82/347253582.db2.gz HUOXFAFAQJFUCZ-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@@H](C)CC(=O)N[C@@H](C)C1CC1 623246528 347253890 /nfs/dbraw/zinc/25/38/90/347253890.db2.gz HUOXFAFAQJFUCZ-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(F)(F)CNCc1ccccc1 623680237 347260941 /nfs/dbraw/zinc/26/09/41/347260941.db2.gz CCNKGCBZFWDQGS-UHFFFAOYSA-N 0 0 199.244 2.822 10 0 AFAERN C/C=C\CNc1nccnc1C(C)C 624656316 347280002 /nfs/dbraw/zinc/28/00/02/347280002.db2.gz MGBXLKJRIDTYCX-PLNGDYQASA-N 0 0 191.278 2.588 10 0 AFAERN C/C=C/CNc1nccnc1C(C)C 624656317 347280061 /nfs/dbraw/zinc/28/00/61/347280061.db2.gz MGBXLKJRIDTYCX-SNAWJCMRSA-N 0 0 191.278 2.588 10 0 AFAERN CCCc1nc(C2(C)CCCC2)no1 624754572 347281388 /nfs/dbraw/zinc/28/13/88/347281388.db2.gz SCNDQJPXLFCTCD-UHFFFAOYSA-N 0 0 194.278 2.854 10 0 AFAERN CC1(c2noc(C3CC3)n2)CCCC1 624751060 347281690 /nfs/dbraw/zinc/28/16/90/347281690.db2.gz CPACMQYHGRCZLO-UHFFFAOYSA-N 0 0 192.262 2.779 10 0 AFAERN C/C=C/C[C@@H]1CCCN(C(=O)CC)C1 625683854 347289162 /nfs/dbraw/zinc/28/91/62/347289162.db2.gz WBAZGLHLKWEIEW-JOAKQRRISA-N 0 0 195.306 2.601 10 0 AFAERN C/C=C/C[C@H]1CCCN(C(=O)CC)C1 625683857 347289266 /nfs/dbraw/zinc/28/92/66/347289266.db2.gz WBAZGLHLKWEIEW-TZNOJPMFSA-N 0 0 195.306 2.601 10 0 AFAERN C/C=C\C[C@H]1CCCN(C(=O)CC)C1 625683856 347289268 /nfs/dbraw/zinc/28/92/68/347289268.db2.gz WBAZGLHLKWEIEW-MZBZXASESA-N 0 0 195.306 2.601 10 0 AFAERN C/C=C\C[C@@H]1CCCN(C(=O)CC)C1 625683858 347289290 /nfs/dbraw/zinc/28/92/90/347289290.db2.gz WBAZGLHLKWEIEW-USEMIUTHSA-N 0 0 195.306 2.601 10 0 AFAERN CC1(C)Cc2ccccc2N1CCF 626064819 347296646 /nfs/dbraw/zinc/29/66/46/347296646.db2.gz FOOXKXPYHGYJJG-UHFFFAOYSA-N 0 0 193.265 2.797 10 0 AFAERN CC[C@H](C)c1cccc(NC(N)=O)c1 626649530 347301163 /nfs/dbraw/zinc/30/11/63/347301163.db2.gz KAOGQLQKJNRQMU-QMMMGPOBSA-N 0 0 192.262 2.691 10 0 AFAERN CC[C@@H](C)c1cccc(NC(N)=O)c1 626649529 347301195 /nfs/dbraw/zinc/30/11/95/347301195.db2.gz KAOGQLQKJNRQMU-MRVPVSSYSA-N 0 0 192.262 2.691 10 0 AFAERN C[C@H](C1CC1)n1cnc2c1CCCC2 628371864 347315450 /nfs/dbraw/zinc/31/54/50/347315450.db2.gz KTFQXQSRBNEVGT-SECBINFHSA-N 0 0 190.290 2.733 10 0 AFAERN C[C@@H](C1CC1)n1cnc2c1CCCC2 628371865 347315487 /nfs/dbraw/zinc/31/54/87/347315487.db2.gz KTFQXQSRBNEVGT-VIFPVBQESA-N 0 0 190.290 2.733 10 0 AFAERN CC1CC(n2cnc3c2CCCC3)C1 628371387 347315658 /nfs/dbraw/zinc/31/56/58/347315658.db2.gz BWIKXAHVILNMRX-UHFFFAOYSA-N 0 0 190.290 2.733 10 0 AFAERN CCC[C@H](C)C(=O)N(C1CC1)C1CC1 628814832 347324143 /nfs/dbraw/zinc/32/41/43/347324143.db2.gz AGGUGARGDCBLNM-VIFPVBQESA-N 0 0 195.306 2.576 10 0 AFAERN CCC[C@@H](C)C(=O)N(C1CC1)C1CC1 628814831 347324150 /nfs/dbraw/zinc/32/41/50/347324150.db2.gz AGGUGARGDCBLNM-SECBINFHSA-N 0 0 195.306 2.576 10 0 AFAERN CCC(CC)C(=O)N(C1CC1)C1CC1 628819645 347324660 /nfs/dbraw/zinc/32/46/60/347324660.db2.gz HJQJXKZWPRCZJN-UHFFFAOYSA-N 0 0 195.306 2.576 10 0 AFAERN C/C=C/CNC(=O)[C@@H]1CCC[C@H]1CC 629031346 347325377 /nfs/dbraw/zinc/32/53/77/347325377.db2.gz BUSHRKVZSBYZPN-UQRCUPDISA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H]1CCC[C@@H]1CC 629031345 347325316 /nfs/dbraw/zinc/32/53/16/347325316.db2.gz BUSHRKVZSBYZPN-HUPZIKASSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)C(C)(C)CCC 629030782 347325350 /nfs/dbraw/zinc/32/53/50/347325350.db2.gz HQSPZIJHURLRFW-ALCCZGGFSA-N 0 0 183.295 2.505 10 0 AFAERN CCCC(=O)NCC[C@H]1CC=CCC1 628893522 347325361 /nfs/dbraw/zinc/32/53/61/347325361.db2.gz ZXTBQUSYORNODZ-NSHDSACASA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C/CNC(=O)C(C)(C)CCC 629030783 347325528 /nfs/dbraw/zinc/32/55/28/347325528.db2.gz HQSPZIJHURLRFW-FNORWQNLSA-N 0 0 183.295 2.505 10 0 AFAERN CCCC(=O)NCC[C@@H]1CC=CCC1 628893521 347325541 /nfs/dbraw/zinc/32/55/41/347325541.db2.gz ZXTBQUSYORNODZ-LLVKDONJSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C/CNC(=O)[C@@H]1CCC[C@@H]1CC 629031344 347325589 /nfs/dbraw/zinc/32/55/89/347325589.db2.gz BUSHRKVZSBYZPN-FWCMMDKOSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H]1CCC[C@H]1CC 629031347 347325634 /nfs/dbraw/zinc/32/56/34/347325634.db2.gz BUSHRKVZSBYZPN-VRJVPJCWSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@H]1CC[C@H](C)CC1 629031886 347326147 /nfs/dbraw/zinc/32/61/47/347326147.db2.gz UYDMCCZAJDJTNL-PETBKVMHSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H](CC)CC(C)C 629032002 347326185 /nfs/dbraw/zinc/32/61/85/347326185.db2.gz IZWFHNWBAWRIJG-XOIDGJRKSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)CCCC(C)C 629032029 347326196 /nfs/dbraw/zinc/32/61/96/347326196.db2.gz JGWNDLCUALXFIK-SNAWJCMRSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\CNC(=O)CC[C@@H](C)CC 629033536 347327500 /nfs/dbraw/zinc/32/75/00/347327500.db2.gz MXHWHVCAWQZVCD-OAQKJQOQSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)CC1(C)CCCC1 629033592 347328009 /nfs/dbraw/zinc/32/80/09/347328009.db2.gz NRENFQSWRPTJLE-ONEGZZNKSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C\CNC(=O)[C@]1(C)CCC[C@H]1C 629032613 347326753 /nfs/dbraw/zinc/32/67/53/347326753.db2.gz OCYTUGHEUYHMSV-ZHLVKLTDSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@]1(C)CCC[C@@H]1C 629032611 347326970 /nfs/dbraw/zinc/32/69/70/347326970.db2.gz OCYTUGHEUYHMSV-KOBKQOIESA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@]1(C)CCC[C@@H]1C 629032609 347326988 /nfs/dbraw/zinc/32/69/88/347326988.db2.gz OCYTUGHEUYHMSV-HDTYDHQFSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@]1(C)CCC[C@H]1C 629032605 347326991 /nfs/dbraw/zinc/32/69/91/347326991.db2.gz OCYTUGHEUYHMSV-DJVCXFJCSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)CC(C)(C)C1CC1 629032744 347326994 /nfs/dbraw/zinc/32/69/94/347326994.db2.gz OXACDLBFDNTGRM-PLNGDYQASA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)CC(C)(C)C1CC1 629032745 347327009 /nfs/dbraw/zinc/32/70/09/347327009.db2.gz OXACDLBFDNTGRM-SNAWJCMRSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@@H]1CCCC[C@@H]1C 629033483 347327244 /nfs/dbraw/zinc/32/72/44/347327244.db2.gz VXVWKDZMMJVCNA-MJKAUQOVSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)CC[C@H](C)CC 629033534 347327264 /nfs/dbraw/zinc/32/72/64/347327264.db2.gz MXHWHVCAWQZVCD-AYYIZTPMSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)C(C)(C)C1CCC1 629033435 347327268 /nfs/dbraw/zinc/32/72/68/347327268.db2.gz VCDASFKUECSQOU-SNAWJCMRSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@@H]1CCCC[C@H]1C 629033484 347327280 /nfs/dbraw/zinc/32/72/80/347327280.db2.gz VXVWKDZMMJVCNA-YIZUVKHSSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H]1CCCC[C@@H]1C 629033482 347327341 /nfs/dbraw/zinc/32/73/41/347327341.db2.gz VXVWKDZMMJVCNA-CBZSPVTBSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)CCCCC(C)C 629033143 347327388 /nfs/dbraw/zinc/32/73/88/347327388.db2.gz SPNKISXMEINZPT-SNAWJCMRSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C\CNC(=O)CCCCC(C)C 629033142 347327466 /nfs/dbraw/zinc/32/74/66/347327466.db2.gz SPNKISXMEINZPT-PLNGDYQASA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C\CNC(=O)C(C)(C)C1CCC1 629033431 347327491 /nfs/dbraw/zinc/32/74/91/347327491.db2.gz VCDASFKUECSQOU-PLNGDYQASA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H]1CCCC[C@H]1C 629033481 347327497 /nfs/dbraw/zinc/32/74/97/347327497.db2.gz VXVWKDZMMJVCNA-ANDSXOESSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@H](C)CCCC 629032956 347327523 /nfs/dbraw/zinc/32/75/23/347327523.db2.gz IOWIYLDTUPWXFG-BREXMAIKSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@H](C)CCCC 629032958 347327550 /nfs/dbraw/zinc/32/75/50/347327550.db2.gz IOWIYLDTUPWXFG-ONRRBMGISA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@@H](C)CCCC 629032959 347327606 /nfs/dbraw/zinc/32/76/06/347327606.db2.gz IOWIYLDTUPWXFG-STUBTGCMSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)CC[C@H](C)CC 629033535 347327636 /nfs/dbraw/zinc/32/76/36/347327636.db2.gz MXHWHVCAWQZVCD-DFVUYQKZSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)CC[C@@H](C)CC 629033537 347327659 /nfs/dbraw/zinc/32/76/59/347327659.db2.gz MXHWHVCAWQZVCD-RWCYGVJQSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H](C)CCCC 629032957 347327664 /nfs/dbraw/zinc/32/76/64/347327664.db2.gz IOWIYLDTUPWXFG-BXKUYDPTSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\CNC(=O)CC(C)(C)CCC 629034047 347327960 /nfs/dbraw/zinc/32/79/60/347327960.db2.gz QVAQKGQDHGPVJM-ALCCZGGFSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)[C@@H]1CCC(C)(C)C1 629033749 347327968 /nfs/dbraw/zinc/32/79/68/347327968.db2.gz FDTLZZNZEXRSNO-ORAHPGNNSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@H]1CCC(C)(C)C1 629033748 347328015 /nfs/dbraw/zinc/32/80/15/347328015.db2.gz FDTLZZNZEXRSNO-LWTINBJPSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@](C)(CC)CCC 629034347 347328046 /nfs/dbraw/zinc/32/80/46/347328046.db2.gz UMYHCHRZVWEJDI-JECSTDCCSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C\CNC(=O)[C@](C)(CC)CCC 629034348 347328066 /nfs/dbraw/zinc/32/80/66/347328066.db2.gz UMYHCHRZVWEJDI-VVEJJEBESA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)[C@H]1CCC(C)(C)C1 629033751 347328121 /nfs/dbraw/zinc/32/81/21/347328121.db2.gz FDTLZZNZEXRSNO-YEZKRMTDSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)CC1(C)CCCC1 629033590 347328167 /nfs/dbraw/zinc/32/81/67/347328167.db2.gz NRENFQSWRPTJLE-ARJAWSKDSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C\CNC(=O)[C@@H]1CCC(C)(C)C1 629033750 347328184 /nfs/dbraw/zinc/32/81/84/347328184.db2.gz FDTLZZNZEXRSNO-UMCURTJPSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@](C)(CC)CCC 629034346 347328199 /nfs/dbraw/zinc/32/81/99/347328199.db2.gz UMYHCHRZVWEJDI-FZKGZDJFSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)[C@@](C)(CC)CCC 629034349 347328209 /nfs/dbraw/zinc/32/82/09/347328209.db2.gz UMYHCHRZVWEJDI-ZCRIDZFUSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)CC(C)(C)CCC 629034049 347328272 /nfs/dbraw/zinc/32/82/72/347328272.db2.gz QVAQKGQDHGPVJM-FNORWQNLSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)[C@H]1CCCC1(C)C 629035785 347329262 /nfs/dbraw/zinc/32/92/62/347329262.db2.gz SDHBVMYJPJVZKN-ORAHPGNNSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@@H]1CCCC1(C)C 629035787 347329281 /nfs/dbraw/zinc/32/92/81/347329281.db2.gz SDHBVMYJPJVZKN-YEZKRMTDSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)C(C)(CC)CC 629034986 347329301 /nfs/dbraw/zinc/32/93/01/347329301.db2.gz OJKDIKBWOZTPGT-YVMONPNESA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H](CCC)C(C)C 629034945 347329345 /nfs/dbraw/zinc/32/93/45/347329345.db2.gz NMHJIBCRJBYOSU-XOIDGJRKSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)C[C@@H](C)CCC 629035424 347329380 /nfs/dbraw/zinc/32/93/80/347329380.db2.gz AIQWKVDIKQRHRY-RWCYGVJQSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@@H](CCC)C(C)C 629034946 347329384 /nfs/dbraw/zinc/32/93/84/347329384.db2.gz NMHJIBCRJBYOSU-ZRQQLDRUSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)CCC(C)(C)C 629035804 347329489 /nfs/dbraw/zinc/32/94/89/347329489.db2.gz FUXDZRMTCSSECJ-WAYWQWQTSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)C(C)(CC)CC 629034985 347329505 /nfs/dbraw/zinc/32/95/05/347329505.db2.gz OJKDIKBWOZTPGT-VMPITWQZSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)C[C@H](C)CCC 629035420 347329523 /nfs/dbraw/zinc/32/95/23/347329523.db2.gz AIQWKVDIKQRHRY-DFVUYQKZSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\CNC(=O)C[C@H](C)CCC 629035418 347329545 /nfs/dbraw/zinc/32/95/45/347329545.db2.gz AIQWKVDIKQRHRY-AYYIZTPMSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\CNC(=O)C[C@@H](C)CCC 629035422 347329557 /nfs/dbraw/zinc/32/95/57/347329557.db2.gz AIQWKVDIKQRHRY-OAQKJQOQSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@H](CCC)C(C)C 629034944 347329583 /nfs/dbraw/zinc/32/95/83/347329583.db2.gz NMHJIBCRJBYOSU-OKPNEXGHSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)[C@H]1CCCC1(C)C 629035786 347329612 /nfs/dbraw/zinc/32/96/12/347329612.db2.gz SDHBVMYJPJVZKN-UMCURTJPSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@H](CCC)C(C)C 629034943 347329645 /nfs/dbraw/zinc/32/96/45/347329645.db2.gz NMHJIBCRJBYOSU-JPVGGKMYSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)CCC(C)(C)C 629035802 347329695 /nfs/dbraw/zinc/32/96/95/347329695.db2.gz FUXDZRMTCSSECJ-AATRIKPKSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H]1CCCC1(C)C 629035784 347329713 /nfs/dbraw/zinc/32/97/13/347329713.db2.gz SDHBVMYJPJVZKN-LWTINBJPSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)C1=CCCCCC1 629035821 347329949 /nfs/dbraw/zinc/32/99/49/347329949.db2.gz SREULLRFDBAAOS-IHWYPQMZSA-N 0 0 193.290 2.569 10 0 AFAERN C/C=C/CNC(=O)[C@@H]1CCC[C@H](C)C1 629036775 347329977 /nfs/dbraw/zinc/32/99/77/347329977.db2.gz HQPGIMHDLQAJHZ-MJKAUQOVSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)C1(C)CCCCC1 629036582 347329998 /nfs/dbraw/zinc/32/99/98/347329998.db2.gz VVKVLIAYGSKHHI-ARJAWSKDSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C/CNC(=O)C1(CC)CCCC1 629036045 347330007 /nfs/dbraw/zinc/33/00/07/347330007.db2.gz HDEGIYUUEBJLFK-HWKANZROSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C\CNC(=O)CC(C)(C)CC 629036332 347330020 /nfs/dbraw/zinc/33/00/20/347330020.db2.gz HKFWXJNHIOPHPX-ALCCZGGFSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@@H]1CCC[C@@H](C)C1 629036776 347330160 /nfs/dbraw/zinc/33/01/60/347330160.db2.gz HQPGIMHDLQAJHZ-YIZUVKHSSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H]1CCC[C@H](C)C1 629036774 347330164 /nfs/dbraw/zinc/33/01/64/347330164.db2.gz HQPGIMHDLQAJHZ-CBZSPVTBSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)C1=CCCCCC1 629035822 347330220 /nfs/dbraw/zinc/33/02/20/347330220.db2.gz SREULLRFDBAAOS-NSCUHMNNSA-N 0 0 193.290 2.569 10 0 AFAERN C/C=C\CNC(=O)C1(CC)CCCC1 629036046 347330242 /nfs/dbraw/zinc/33/02/42/347330242.db2.gz HDEGIYUUEBJLFK-HYXAFXHYSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C/CNC(=O)C1(C)CCCCC1 629036583 347330255 /nfs/dbraw/zinc/33/02/55/347330255.db2.gz VVKVLIAYGSKHHI-ONEGZZNKSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C\CNC(=O)[C@@H]1CCC[C@@H](C)C1 629036773 347330299 /nfs/dbraw/zinc/33/02/99/347330299.db2.gz HQPGIMHDLQAJHZ-ANDSXOESSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)CC(C)(C)CC 629036334 347330373 /nfs/dbraw/zinc/33/03/73/347330373.db2.gz HKFWXJNHIOPHPX-FNORWQNLSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\CNC(=O)C[C@@H]1CCC[C@H]1C 629037113 347330976 /nfs/dbraw/zinc/33/09/76/347330976.db2.gz YVCDKVKUGIWSMV-CJOPTALJSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@@H](C)C(CC)CC 629037938 347330722 /nfs/dbraw/zinc/33/07/22/347330722.db2.gz JLHVWXUZUYDISL-NVDWLVSRSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)C(CC)(CC)CC 629037933 347330843 /nfs/dbraw/zinc/33/08/43/347330843.db2.gz JGLJXLCQNJMYPT-WEVVVXLNSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)C[C@@H]1CCC[C@H]1C 629037116 347330896 /nfs/dbraw/zinc/33/08/96/347330896.db2.gz YVCDKVKUGIWSMV-YHROSDCASA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)C(CC)(CC)CC 629037932 347330901 /nfs/dbraw/zinc/33/09/01/347330901.db2.gz JGLJXLCQNJMYPT-UITAMQMPSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C\CNC(=O)C(C)(C)CC(C)C 629037359 347330930 /nfs/dbraw/zinc/33/09/30/347330930.db2.gz HXVRJZKTIXYHHO-SREVYHEPSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)[C@H](C)C(CC)CC 629037937 347330950 /nfs/dbraw/zinc/33/09/50/347330950.db2.gz JLHVWXUZUYDISL-DAGBOUIGSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)C(C)(C)CC(C)C 629037364 347330969 /nfs/dbraw/zinc/33/09/69/347330969.db2.gz HXVRJZKTIXYHHO-VOTSOKGWSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)C[C@@H]1CCC[C@@H]1C 629037115 347331097 /nfs/dbraw/zinc/33/10/97/347331097.db2.gz YVCDKVKUGIWSMV-WZQADMAKSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@H](C)C(CC)CC 629037939 347331124 /nfs/dbraw/zinc/33/11/24/347331124.db2.gz JLHVWXUZUYDISL-VHODGJRUSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)C[C@@H]1CCC[C@@H]1C 629037114 347331134 /nfs/dbraw/zinc/33/11/34/347331134.db2.gz YVCDKVKUGIWSMV-SEUFLZDSSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@@H](C)C(CC)CC 629037940 347331150 /nfs/dbraw/zinc/33/11/50/347331150.db2.gz JLHVWXUZUYDISL-YVFTVSHDSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)C(CCC)CCC 629037970 347331438 /nfs/dbraw/zinc/33/14/38/347331438.db2.gz JTNKDMJLHJPVML-DAXSKMNVSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)C(CCC)CCC 629037972 347331531 /nfs/dbraw/zinc/33/15/31/347331531.db2.gz JTNKDMJLHJPVML-QPJJXVBHSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C\CNC(=O)C1(CCC)CCC1 629040278 347332074 /nfs/dbraw/zinc/33/20/74/347332074.db2.gz QCNFOFYDPWVITF-HYXAFXHYSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C\CNC(=O)[C@@H](C)C1CCCC1 629040718 347332103 /nfs/dbraw/zinc/33/21/03/347332103.db2.gz SSZDJAOHEDSGBX-XOULXFPDSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@H](CC)CCCC 629040560 347332142 /nfs/dbraw/zinc/33/21/42/347332142.db2.gz WZQNQMGBSYACFL-AYLMVEPYSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C\CNC(=O)[C@H](C)C1CCCC1 629040717 347332153 /nfs/dbraw/zinc/33/21/53/347332153.db2.gz SSZDJAOHEDSGBX-UMBAGQNISA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C/CNC(=O)[C@H](C)C1CCCC1 629040714 347332185 /nfs/dbraw/zinc/33/21/85/347332185.db2.gz SSZDJAOHEDSGBX-HMDXOVGESA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)CC1CCCCC1 629039665 347332194 /nfs/dbraw/zinc/33/21/94/347332194.db2.gz ITQJXVMONGGSIJ-IHWYPQMZSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C\CNC(=O)[C@@H](CC)CCCC 629040564 347332273 /nfs/dbraw/zinc/33/22/73/347332273.db2.gz WZQNQMGBSYACFL-OFSNVTPPSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)[C@@H](CC)CCCC 629040562 347332253 /nfs/dbraw/zinc/33/22/53/347332253.db2.gz WZQNQMGBSYACFL-BWNDKRECSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)C1(CCC)CCC1 629040276 347332377 /nfs/dbraw/zinc/33/23/77/347332377.db2.gz QCNFOFYDPWVITF-HWKANZROSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C/CNC(=O)CC1CCCCC1 629039669 347332394 /nfs/dbraw/zinc/33/23/94/347332394.db2.gz ITQJXVMONGGSIJ-NSCUHMNNSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C/CNC(=O)[C@@H](C)C1CCCC1 629040712 347332405 /nfs/dbraw/zinc/33/24/05/347332405.db2.gz SSZDJAOHEDSGBX-FSIBCCDJSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)[C@H](CC)CCCC 629040565 347332409 /nfs/dbraw/zinc/33/24/09/347332409.db2.gz WZQNQMGBSYACFL-UIJKISKDSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)C[C@@H](C)CC(C)C 629041672 347332644 /nfs/dbraw/zinc/33/26/44/347332644.db2.gz FNVPASVIATXILI-QRGHLMKCSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)C[C@@H]1CC[C@@H](C)C1 629041166 347332683 /nfs/dbraw/zinc/33/26/83/347332683.db2.gz VKZGQQDRYRJLAO-YIZUVKHSSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)C[C@@H]1CC[C@@H](C)C1 629041162 347332685 /nfs/dbraw/zinc/33/26/85/347332685.db2.gz VKZGQQDRYRJLAO-ANDSXOESSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)C[C@@H](C)CC(C)C 629041667 347332688 /nfs/dbraw/zinc/33/26/88/347332688.db2.gz FNVPASVIATXILI-GZTOBOFZSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)C[C@@H]1CC[C@H](C)C1 629041165 347332701 /nfs/dbraw/zinc/33/27/01/347332701.db2.gz VKZGQQDRYRJLAO-MJKAUQOVSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)CC(CC)CC 629041836 347332745 /nfs/dbraw/zinc/33/27/45/347332745.db2.gz ZQQVDFLLSAXMBA-DAXSKMNVSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)C[C@H](C)CC(C)C 629041671 347332764 /nfs/dbraw/zinc/33/27/64/347332764.db2.gz FNVPASVIATXILI-MVIFTORASA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)C[C@@H]1CC[C@H](C)C1 629041164 347332783 /nfs/dbraw/zinc/33/27/83/347332783.db2.gz VKZGQQDRYRJLAO-CBZSPVTBSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C\CNC(=O)C[C@H](C)CC(C)C 629041669 347332901 /nfs/dbraw/zinc/33/29/01/347332901.db2.gz FNVPASVIATXILI-ISALQUGTSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)CC(CC)CC 629041837 347332926 /nfs/dbraw/zinc/33/29/26/347332926.db2.gz ZQQVDFLLSAXMBA-QPJJXVBHSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/CNC(=O)C[C@@H](CC)C(C)C 629043196 347333304 /nfs/dbraw/zinc/33/33/04/347333304.db2.gz NOSOLQZXKNHHEI-OKPNEXGHSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)CC1=CCCCC1 629043188 347333248 /nfs/dbraw/zinc/33/32/48/347333248.db2.gz NMEQRAXVYONZLD-IHWYPQMZSA-N 0 0 193.290 2.569 10 0 AFAERN C/C=C/CNC(=O)CC1=CCCCC1 629043189 347333250 /nfs/dbraw/zinc/33/32/50/347333250.db2.gz NMEQRAXVYONZLD-NSCUHMNNSA-N 0 0 193.290 2.569 10 0 AFAERN C/C=C/CNC(=O)CCCC(C)(C)C 629043669 347333265 /nfs/dbraw/zinc/33/32/65/347333265.db2.gz QZYZEUYHLYEVDL-AATRIKPKSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/CNC(=O)C1CCCCCC1 629043162 347333280 /nfs/dbraw/zinc/33/32/80/347333280.db2.gz NDGRREXCWHTYOU-NSCUHMNNSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C\CNC(=O)C[C@@H](CC)C(C)C 629043195 347333293 /nfs/dbraw/zinc/33/32/93/347333293.db2.gz NOSOLQZXKNHHEI-JPVGGKMYSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)C[C@H](CC)C(C)C 629043197 347333300 /nfs/dbraw/zinc/33/33/00/347333300.db2.gz NOSOLQZXKNHHEI-XOIDGJRKSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/CNC(=O)C[C@H](CC)C(C)C 629043198 347333368 /nfs/dbraw/zinc/33/33/68/347333368.db2.gz NOSOLQZXKNHHEI-ZRQQLDRUSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C\CNC(=O)CCCC(C)(C)C 629043670 347333375 /nfs/dbraw/zinc/33/33/75/347333375.db2.gz QZYZEUYHLYEVDL-WAYWQWQTSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C\CNC(=O)C1CCCCCC1 629043160 347333408 /nfs/dbraw/zinc/33/34/08/347333408.db2.gz NDGRREXCWHTYOU-IHWYPQMZSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C/CNC(=O)CCC1CCCC1 629045819 347333945 /nfs/dbraw/zinc/33/39/45/347333945.db2.gz ZIVHSDVENDSDCX-NSCUHMNNSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C\CNC(=O)CCC1CCCC1 629045818 347333921 /nfs/dbraw/zinc/33/39/21/347333921.db2.gz ZIVHSDVENDSDCX-IHWYPQMZSA-N 0 0 195.306 2.649 10 0 AFAERN C[C@@H]1C[C@H]1Cn1cnc2ccccc21 629089013 347334382 /nfs/dbraw/zinc/33/43/82/347334382.db2.gz ZQPOUTTUTLZMGY-ZJUUUORDSA-N 0 0 186.258 2.692 10 0 AFAERN C[C@H]1C[C@@H]1COc1c(F)cccc1F 629100811 347334399 /nfs/dbraw/zinc/33/43/99/347334399.db2.gz MCHPNCAVSAREGR-JGVFFNPUSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@@H]1C[C@@H]1COc1c(F)cccc1F 629100808 347334451 /nfs/dbraw/zinc/33/44/51/347334451.db2.gz MCHPNCAVSAREGR-HTQZYQBOSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@@H]1C[C@@H]1CSc1ccccn1 629090453 347334416 /nfs/dbraw/zinc/33/44/16/347334416.db2.gz LPDQKBVCVORYIW-RKDXNWHRSA-N 0 0 179.288 2.830 10 0 AFAERN C[C@H]1C[C@H]1COc1ccc(F)c(F)c1 629107407 347334441 /nfs/dbraw/zinc/33/44/41/347334441.db2.gz QLTYSUPNVWNAHC-YUMQZZPRSA-N 0 0 198.212 3.000 10 0 AFAERN COc1ccccc1OC[C@H]1C[C@H]1C 629088482 347334462 /nfs/dbraw/zinc/33/44/62/347334462.db2.gz OVKWFIIAQVTWET-NXEZZACHSA-N 0 0 192.258 2.730 10 0 AFAERN C[C@H]1C[C@@H]1Cn1cnc2ccccc21 629089011 347334504 /nfs/dbraw/zinc/33/45/04/347334504.db2.gz ZQPOUTTUTLZMGY-VHSXEESVSA-N 0 0 186.258 2.692 10 0 AFAERN C[C@@H]1C[C@@H]1COc1ccc(F)c(F)c1 629107403 347334511 /nfs/dbraw/zinc/33/45/11/347334511.db2.gz QLTYSUPNVWNAHC-HTQZYQBOSA-N 0 0 198.212 3.000 10 0 AFAERN COc1ccccc1OC[C@@H]1C[C@@H]1C 629088483 347334543 /nfs/dbraw/zinc/33/45/43/347334543.db2.gz OVKWFIIAQVTWET-UWVGGRQHSA-N 0 0 192.258 2.730 10 0 AFAERN C[C@H]1C[C@@H]1COc1ccc(F)cc1 629088012 347334573 /nfs/dbraw/zinc/33/45/73/347334573.db2.gz NDPJXVPYEOVALG-DTWKUNHWSA-N 0 0 180.222 2.861 10 0 AFAERN C[C@@H]1C[C@@H]1COc1ccccc1F 629087273 347334578 /nfs/dbraw/zinc/33/45/78/347334578.db2.gz HBFSPTYRDXYXDG-RKDXNWHRSA-N 0 0 180.222 2.861 10 0 AFAERN C[C@H]1C[C@@H]1COc1ccc(F)c(F)c1 629107404 347334583 /nfs/dbraw/zinc/33/45/83/347334583.db2.gz QLTYSUPNVWNAHC-JGVFFNPUSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@@H]1C[C@H]1COc1c(F)cccc1F 629100814 347334589 /nfs/dbraw/zinc/33/45/89/347334589.db2.gz MCHPNCAVSAREGR-SFYZADRCSA-N 0 0 198.212 3.000 10 0 AFAERN COc1ccccc1OC[C@@H]1C[C@H]1C 629088485 347334679 /nfs/dbraw/zinc/33/46/79/347334679.db2.gz OVKWFIIAQVTWET-ZJUUUORDSA-N 0 0 192.258 2.730 10 0 AFAERN C[C@H]1C[C@@H]1COc1ccccc1F 629087270 347334694 /nfs/dbraw/zinc/33/46/94/347334694.db2.gz HBFSPTYRDXYXDG-DTWKUNHWSA-N 0 0 180.222 2.861 10 0 AFAERN C[C@@H]1C[C@H]1COc1ccccc1F 629087267 347334697 /nfs/dbraw/zinc/33/46/97/347334697.db2.gz HBFSPTYRDXYXDG-BDAKNGLRSA-N 0 0 180.222 2.861 10 0 AFAERN COc1ccccc1OC[C@H]1C[C@@H]1C 629088484 347334709 /nfs/dbraw/zinc/33/47/09/347334709.db2.gz OVKWFIIAQVTWET-VHSXEESVSA-N 0 0 192.258 2.730 10 0 AFAERN C[C@@H]1C[C@H]1COc1ccc(F)cc1 629088011 347334721 /nfs/dbraw/zinc/33/47/21/347334721.db2.gz NDPJXVPYEOVALG-BDAKNGLRSA-N 0 0 180.222 2.861 10 0 AFAERN C[C@H]1C[C@H]1COc1c(F)cccc1F 629100816 347334746 /nfs/dbraw/zinc/33/47/46/347334746.db2.gz MCHPNCAVSAREGR-YUMQZZPRSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@H]1C[C@H]1COc1ccc(F)cc1 629088013 347334756 /nfs/dbraw/zinc/33/47/56/347334756.db2.gz NDPJXVPYEOVALG-IUCAKERBSA-N 0 0 180.222 2.861 10 0 AFAERN C[C@H]1C[C@H]1Cn1cnc2ccccc21 629089008 347334777 /nfs/dbraw/zinc/33/47/77/347334777.db2.gz ZQPOUTTUTLZMGY-UWVGGRQHSA-N 0 0 186.258 2.692 10 0 AFAERN C[C@@H]1C[C@H]1COc1ccc(F)c(F)c1 629107406 347334801 /nfs/dbraw/zinc/33/48/01/347334801.db2.gz QLTYSUPNVWNAHC-SFYZADRCSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@@H]1C[C@@H]1Cn1cnc2ccccc21 629089006 347334802 /nfs/dbraw/zinc/33/48/02/347334802.db2.gz ZQPOUTTUTLZMGY-NXEZZACHSA-N 0 0 186.258 2.692 10 0 AFAERN C[C@H]1C[C@H]1CSc1ccccn1 629090449 347334810 /nfs/dbraw/zinc/33/48/10/347334810.db2.gz LPDQKBVCVORYIW-IUCAKERBSA-N 0 0 179.288 2.830 10 0 AFAERN C[C@H]1C[C@H]1COc1ccccc1F 629087272 347334820 /nfs/dbraw/zinc/33/48/20/347334820.db2.gz HBFSPTYRDXYXDG-IUCAKERBSA-N 0 0 180.222 2.861 10 0 AFAERN C[C@H]1C[C@@H]1CSc1ccccn1 629090448 347334845 /nfs/dbraw/zinc/33/48/45/347334845.db2.gz LPDQKBVCVORYIW-DTWKUNHWSA-N 0 0 179.288 2.830 10 0 AFAERN C[C@@H]1C[C@H]1CSc1ccccn1 629090446 347334853 /nfs/dbraw/zinc/33/48/53/347334853.db2.gz LPDQKBVCVORYIW-BDAKNGLRSA-N 0 0 179.288 2.830 10 0 AFAERN C[C@@H]1C[C@@H]1COc1ccc(F)cc1 629088014 347334857 /nfs/dbraw/zinc/33/48/57/347334857.db2.gz NDPJXVPYEOVALG-RKDXNWHRSA-N 0 0 180.222 2.861 10 0 AFAERN C[C@H]1C[C@H]1COc1cccc(F)c1F 629155600 347335044 /nfs/dbraw/zinc/33/50/44/347335044.db2.gz ZSUKIWJECNOMAU-YUMQZZPRSA-N 0 0 198.212 3.000 10 0 AFAERN Cc1cnc(SC[C@H]2C[C@@H]2C)nc1 629146430 347335048 /nfs/dbraw/zinc/33/50/48/347335048.db2.gz XCPQMNZLLMXNCQ-DTWKUNHWSA-N 0 0 194.303 2.533 10 0 AFAERN Cc1cnc(SC[C@@H]2C[C@H]2C)nc1 629146428 347335058 /nfs/dbraw/zinc/33/50/58/347335058.db2.gz XCPQMNZLLMXNCQ-BDAKNGLRSA-N 0 0 194.303 2.533 10 0 AFAERN C[C@H]1C[C@@H]1COc1cccc(F)c1F 629155598 347335096 /nfs/dbraw/zinc/33/50/96/347335096.db2.gz ZSUKIWJECNOMAU-JGVFFNPUSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@@H]1C[C@@H]1COc1cc(F)ccc1F 629152857 347335174 /nfs/dbraw/zinc/33/51/74/347335174.db2.gz UGUPQQAYCAGYHT-HTQZYQBOSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@H]1C[C@@H]1COc1cc(F)ccc1F 629152859 347335245 /nfs/dbraw/zinc/33/52/45/347335245.db2.gz UGUPQQAYCAGYHT-JGVFFNPUSA-N 0 0 198.212 3.000 10 0 AFAERN Cc1cnc(SC[C@@H]2C[C@@H]2C)nc1 629146431 347335264 /nfs/dbraw/zinc/33/52/64/347335264.db2.gz XCPQMNZLLMXNCQ-IUCAKERBSA-N 0 0 194.303 2.533 10 0 AFAERN C[C@@H]1C[C@H]1COc1cc(F)ccc1F 629152861 347335294 /nfs/dbraw/zinc/33/52/94/347335294.db2.gz UGUPQQAYCAGYHT-SFYZADRCSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@@H]1C[C@H]1COc1cccc(F)c1F 629155599 347335329 /nfs/dbraw/zinc/33/53/29/347335329.db2.gz ZSUKIWJECNOMAU-SFYZADRCSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@@H]1C[C@@H]1COc1cccc(F)c1F 629155597 347335378 /nfs/dbraw/zinc/33/53/78/347335378.db2.gz ZSUKIWJECNOMAU-HTQZYQBOSA-N 0 0 198.212 3.000 10 0 AFAERN C[C@H]1C[C@H]1COc1cc(F)ccc1F 629152862 347335388 /nfs/dbraw/zinc/33/53/88/347335388.db2.gz UGUPQQAYCAGYHT-YUMQZZPRSA-N 0 0 198.212 3.000 10 0 AFAERN Cc1cnc(SC[C@H]2C[C@H]2C)nc1 629146433 347335402 /nfs/dbraw/zinc/33/54/02/347335402.db2.gz XCPQMNZLLMXNCQ-RKDXNWHRSA-N 0 0 194.303 2.533 10 0 AFAERN CC(C)c1nccn1C[C@H]1C[C@H]1C 629167762 347335774 /nfs/dbraw/zinc/33/57/74/347335774.db2.gz HYEAREWHFWPIME-NXEZZACHSA-N 0 0 178.279 2.663 10 0 AFAERN C[C@H]1C[C@H]1CSc1ccncc1 629160386 347335854 /nfs/dbraw/zinc/33/58/54/347335854.db2.gz QILFTTLJLJXHPR-IUCAKERBSA-N 0 0 179.288 2.830 10 0 AFAERN C[C@@H]1C[C@@H]1CSc1ccncc1 629160387 347335862 /nfs/dbraw/zinc/33/58/62/347335862.db2.gz QILFTTLJLJXHPR-RKDXNWHRSA-N 0 0 179.288 2.830 10 0 AFAERN CC(C)c1nccn1C[C@@H]1C[C@@H]1C 629167763 347335904 /nfs/dbraw/zinc/33/59/04/347335904.db2.gz HYEAREWHFWPIME-UWVGGRQHSA-N 0 0 178.279 2.663 10 0 AFAERN CCc1c[nH]c(SC[C@H]2C[C@@H]2C)n1 629162272 347335934 /nfs/dbraw/zinc/33/59/34/347335934.db2.gz RHEPSVHXZHGFAB-JGVFFNPUSA-N 0 0 196.319 2.720 10 0 AFAERN CC1(C)CC(CSc2ncc[nH]2)C1 629159465 347335950 /nfs/dbraw/zinc/33/59/50/347335950.db2.gz SWLVAIVFCYOEFD-UHFFFAOYSA-N 0 0 196.319 2.938 10 0 AFAERN CCc1c[nH]c(SC[C@H]2C[C@H]2C)n1 629162271 347335975 /nfs/dbraw/zinc/33/59/75/347335975.db2.gz RHEPSVHXZHGFAB-HTQZYQBOSA-N 0 0 196.319 2.720 10 0 AFAERN C[C@@H]1C[C@H]1CSc1ccncc1 629160384 347335991 /nfs/dbraw/zinc/33/59/91/347335991.db2.gz QILFTTLJLJXHPR-BDAKNGLRSA-N 0 0 179.288 2.830 10 0 AFAERN CCc1c[nH]c(SC[C@@H]2C[C@H]2C)n1 629162273 347336022 /nfs/dbraw/zinc/33/60/22/347336022.db2.gz RHEPSVHXZHGFAB-SFYZADRCSA-N 0 0 196.319 2.720 10 0 AFAERN CC(C)c1nccn1C[C@@H]1C[C@H]1C 629167766 347336070 /nfs/dbraw/zinc/33/60/70/347336070.db2.gz HYEAREWHFWPIME-ZJUUUORDSA-N 0 0 178.279 2.663 10 0 AFAERN CCc1c[nH]c(SC[C@@H]2C[C@@H]2C)n1 629162274 347336104 /nfs/dbraw/zinc/33/61/04/347336104.db2.gz RHEPSVHXZHGFAB-YUMQZZPRSA-N 0 0 196.319 2.720 10 0 AFAERN Cc1coc(SC[C@H]2C[C@H]2C)n1 629177253 347336597 /nfs/dbraw/zinc/33/65/97/347336597.db2.gz YCTKGZWQLYBPDO-HTRCEHHLSA-N 0 0 183.276 2.731 10 0 AFAERN Cc1coc(SC[C@@H]2C[C@H]2C)n1 629177257 347336649 /nfs/dbraw/zinc/33/66/49/347336649.db2.gz YCTKGZWQLYBPDO-SVRRBLITSA-N 0 0 183.276 2.731 10 0 AFAERN Cc1coc(SC[C@H]2C[C@@H]2C)n1 629177256 347336698 /nfs/dbraw/zinc/33/66/98/347336698.db2.gz YCTKGZWQLYBPDO-POYBYMJQSA-N 0 0 183.276 2.731 10 0 AFAERN Cc1coc(SC[C@@H]2C[C@@H]2C)n1 629177259 347336773 /nfs/dbraw/zinc/33/67/73/347336773.db2.gz YCTKGZWQLYBPDO-XPUUQOCRSA-N 0 0 183.276 2.731 10 0 AFAERN Cc1nc(SC[C@@H]2C[C@@H]2C)[nH]c1C 629183342 347337142 /nfs/dbraw/zinc/33/71/42/347337142.db2.gz JIPIXIQTQQYZBC-RCOVLWMOSA-N 0 0 196.319 2.775 10 0 AFAERN C[C@@H]1C[C@@H]1CSc1ncccc1F 629185998 347337244 /nfs/dbraw/zinc/33/72/44/347337244.db2.gz SMJVGEMVUQULKY-HTQZYQBOSA-N 0 0 197.278 2.969 10 0 AFAERN Cc1nc(SC[C@H]2C[C@@H]2C)[nH]c1C 629183340 347337252 /nfs/dbraw/zinc/33/72/52/347337252.db2.gz JIPIXIQTQQYZBC-IMTBSYHQSA-N 0 0 196.319 2.775 10 0 AFAERN C[C@@H]1C[C@H]1CSc1ncccc1F 629186000 347337319 /nfs/dbraw/zinc/33/73/19/347337319.db2.gz SMJVGEMVUQULKY-SFYZADRCSA-N 0 0 197.278 2.969 10 0 AFAERN C[C@H]1C[C@@H]1CSc1ncccc1F 629185999 347337369 /nfs/dbraw/zinc/33/73/69/347337369.db2.gz SMJVGEMVUQULKY-JGVFFNPUSA-N 0 0 197.278 2.969 10 0 AFAERN Cc1nc(SC[C@H]2C[C@H]2C)[nH]c1C 629183339 347337383 /nfs/dbraw/zinc/33/73/83/347337383.db2.gz JIPIXIQTQQYZBC-HZGVNTEJSA-N 0 0 196.319 2.775 10 0 AFAERN Cc1nc(SC[C@@H]2C[C@H]2C)[nH]c1C 629183341 347337441 /nfs/dbraw/zinc/33/74/41/347337441.db2.gz JIPIXIQTQQYZBC-MUWHJKNJSA-N 0 0 196.319 2.775 10 0 AFAERN C[C@H]1C[C@H]1CSc1ncccc1F 629186001 347337464 /nfs/dbraw/zinc/33/74/64/347337464.db2.gz SMJVGEMVUQULKY-YUMQZZPRSA-N 0 0 197.278 2.969 10 0 AFAERN CC[C@H](C)c1cccc(NCCO)c1 629204204 347337978 /nfs/dbraw/zinc/33/79/78/347337978.db2.gz OUOJCPRTGAFYNL-JTQLQIEISA-N 0 0 193.290 2.604 10 0 AFAERN CC[C@@H](C)c1cccc(NCCO)c1 629204205 347338044 /nfs/dbraw/zinc/33/80/44/347338044.db2.gz OUOJCPRTGAFYNL-SNVBAGLBSA-N 0 0 193.290 2.604 10 0 AFAERN C[C@@H]1C[C@H]1COc1cccc(F)c1 629356110 347339234 /nfs/dbraw/zinc/33/92/34/347339234.db2.gz PUFWGRXIFZQCFH-BDAKNGLRSA-N 0 0 180.222 2.861 10 0 AFAERN C[C@H]1C[C@@H]1COc1cccc(F)c1 629356111 347339239 /nfs/dbraw/zinc/33/92/39/347339239.db2.gz PUFWGRXIFZQCFH-DTWKUNHWSA-N 0 0 180.222 2.861 10 0 AFAERN COc1cccc(OC[C@@H]2C[C@H]2C)c1 629355345 347339241 /nfs/dbraw/zinc/33/92/41/347339241.db2.gz BZFSPYVLKQGRAD-ZJUUUORDSA-N 0 0 192.258 2.730 10 0 AFAERN COc1cccc(OC[C@@H]2C[C@@H]2C)c1 629355343 347339290 /nfs/dbraw/zinc/33/92/90/347339290.db2.gz BZFSPYVLKQGRAD-UWVGGRQHSA-N 0 0 192.258 2.730 10 0 AFAERN C[C@@H]1C[C@@H]1COc1cccc(F)c1 629356113 347339294 /nfs/dbraw/zinc/33/92/94/347339294.db2.gz PUFWGRXIFZQCFH-RKDXNWHRSA-N 0 0 180.222 2.861 10 0 AFAERN COc1ccc(OC[C@H]2C[C@H]2C)cc1 629356729 347339337 /nfs/dbraw/zinc/33/93/37/347339337.db2.gz VVCDVTFUHHUTSN-NXEZZACHSA-N 0 0 192.258 2.730 10 0 AFAERN COc1ccc(OC[C@@H]2C[C@@H]2C)cc1 629356730 347339340 /nfs/dbraw/zinc/33/93/40/347339340.db2.gz VVCDVTFUHHUTSN-UWVGGRQHSA-N 0 0 192.258 2.730 10 0 AFAERN COc1ccc(OC[C@@H]2C[C@H]2C)cc1 629356732 347339346 /nfs/dbraw/zinc/33/93/46/347339346.db2.gz VVCDVTFUHHUTSN-ZJUUUORDSA-N 0 0 192.258 2.730 10 0 AFAERN C[C@H]1C[C@H]1COc1cccc(F)c1 629356112 347339383 /nfs/dbraw/zinc/33/93/83/347339383.db2.gz PUFWGRXIFZQCFH-IUCAKERBSA-N 0 0 180.222 2.861 10 0 AFAERN COc1cccc(OC[C@H]2C[C@H]2C)c1 629355342 347339385 /nfs/dbraw/zinc/33/93/85/347339385.db2.gz BZFSPYVLKQGRAD-NXEZZACHSA-N 0 0 192.258 2.730 10 0 AFAERN COc1cccc(OC[C@H]2C[C@@H]2C)c1 629355344 347339404 /nfs/dbraw/zinc/33/94/04/347339404.db2.gz BZFSPYVLKQGRAD-VHSXEESVSA-N 0 0 192.258 2.730 10 0 AFAERN COc1ccc(OC[C@H]2C[C@@H]2C)cc1 629356731 347339454 /nfs/dbraw/zinc/33/94/54/347339454.db2.gz VVCDVTFUHHUTSN-VHSXEESVSA-N 0 0 192.258 2.730 10 0 AFAERN Cc1c(Cl)cnn1C[C@H]1C[C@@H]1C 629360091 347339863 /nfs/dbraw/zinc/33/98/63/347339863.db2.gz HWDKYRXTYPTWJL-POYBYMJQSA-N 0 0 184.670 2.501 10 0 AFAERN Cc1c(Cl)cnn1C[C@@H]1C[C@H]1C 629360092 347339875 /nfs/dbraw/zinc/33/98/75/347339875.db2.gz HWDKYRXTYPTWJL-SVRRBLITSA-N 0 0 184.670 2.501 10 0 AFAERN Cc1c(Cl)cnn1C[C@@H]1C[C@@H]1C 629360093 347340072 /nfs/dbraw/zinc/34/00/72/347340072.db2.gz HWDKYRXTYPTWJL-XPUUQOCRSA-N 0 0 184.670 2.501 10 0 AFAERN Cc1c(Cl)cnn1C[C@H]1C[C@H]1C 629360090 347340091 /nfs/dbraw/zinc/34/00/91/347340091.db2.gz HWDKYRXTYPTWJL-HTRCEHHLSA-N 0 0 184.670 2.501 10 0 AFAERN C[C@@H]1C[C@H]1Cn1ccc(C(C)(C)C)n1 629369721 347340522 /nfs/dbraw/zinc/34/05/22/347340522.db2.gz WMAWCZPTDIPFIG-ZJUUUORDSA-N 0 0 192.306 2.837 10 0 AFAERN CCC[C@H](C)CCCOn1cccn1 629370247 347340625 /nfs/dbraw/zinc/34/06/25/347340625.db2.gz PZWPBQTVMSROKB-NSHDSACASA-N 0 0 196.294 2.528 10 0 AFAERN CCC[C@@H](C)CCCOn1cccn1 629370246 347340811 /nfs/dbraw/zinc/34/08/11/347340811.db2.gz PZWPBQTVMSROKB-LLVKDONJSA-N 0 0 196.294 2.528 10 0 AFAERN C[C@H]1C[C@@H]1Cn1ccc(C(C)(C)C)n1 629369720 347340823 /nfs/dbraw/zinc/34/08/23/347340823.db2.gz WMAWCZPTDIPFIG-VHSXEESVSA-N 0 0 192.306 2.837 10 0 AFAERN C[C@@H]1C[C@@H]1Cn1ccc(C(C)(C)C)n1 629369718 347340861 /nfs/dbraw/zinc/34/08/61/347340861.db2.gz WMAWCZPTDIPFIG-NXEZZACHSA-N 0 0 192.306 2.837 10 0 AFAERN C[C@H]1C[C@H]1Cn1ccc(C(C)(C)C)n1 629369719 347340906 /nfs/dbraw/zinc/34/09/06/347340906.db2.gz WMAWCZPTDIPFIG-UWVGGRQHSA-N 0 0 192.306 2.837 10 0 AFAERN CCC[C@H](C)CCCn1cc(C)nn1 629372898 347341144 /nfs/dbraw/zinc/34/11/44/347341144.db2.gz YTZAAGHSDCIWIR-JTQLQIEISA-N 0 0 195.310 2.803 10 0 AFAERN CC(C)c1cnn(C[C@@H]2C[C@H]2C)c1 629377938 347341222 /nfs/dbraw/zinc/34/12/22/347341222.db2.gz PKLBBUCELHDWDM-ZJUUUORDSA-N 0 0 178.279 2.663 10 0 AFAERN CCC[C@@H](C)CCCn1cnc(C)n1 629372563 347341242 /nfs/dbraw/zinc/34/12/42/347341242.db2.gz HCJFCUHMNORLLY-SNVBAGLBSA-N 0 0 195.310 2.803 10 0 AFAERN C[C@@H]1C[C@H]1Cn1cc(C2CCC2)cn1 629377205 347341258 /nfs/dbraw/zinc/34/12/58/347341258.db2.gz GMACKUZJCMUXTG-KOLCDFICSA-N 0 0 190.290 2.807 10 0 AFAERN CCC[C@H](C)CCCn1cnc(C)n1 629372562 347341264 /nfs/dbraw/zinc/34/12/64/347341264.db2.gz HCJFCUHMNORLLY-JTQLQIEISA-N 0 0 195.310 2.803 10 0 AFAERN C[C@@H]1C[C@@H]1Cn1cc(C2CCC2)cn1 629377206 347341280 /nfs/dbraw/zinc/34/12/80/347341280.db2.gz GMACKUZJCMUXTG-MWLCHTKSSA-N 0 0 190.290 2.807 10 0 AFAERN CC(C)c1cnn(C[C@H]2C[C@@H]2C)c1 629377937 347341288 /nfs/dbraw/zinc/34/12/88/347341288.db2.gz PKLBBUCELHDWDM-VHSXEESVSA-N 0 0 178.279 2.663 10 0 AFAERN C[C@H]1C[C@@H]1Cn1cc(C2CCC2)cn1 629377191 347341296 /nfs/dbraw/zinc/34/12/96/347341296.db2.gz GMACKUZJCMUXTG-GXSJLCMTSA-N 0 0 190.290 2.807 10 0 AFAERN CCC[C@@H](C)CCCn1cc(C)nn1 629372899 347341318 /nfs/dbraw/zinc/34/13/18/347341318.db2.gz YTZAAGHSDCIWIR-SNVBAGLBSA-N 0 0 195.310 2.803 10 0 AFAERN CCCCOc1ccc(C)nc1OC 629383274 347341359 /nfs/dbraw/zinc/34/13/59/347341359.db2.gz ZEJMBUPPBXXFLZ-UHFFFAOYSA-N 0 0 195.262 2.578 10 0 AFAERN CC(C)c1cnn(C[C@@H]2C[C@@H]2C)c1 629377934 347341408 /nfs/dbraw/zinc/34/14/08/347341408.db2.gz PKLBBUCELHDWDM-UWVGGRQHSA-N 0 0 178.279 2.663 10 0 AFAERN C[C@H]1C[C@H]1Cn1cc(C2CCC2)cn1 629377207 347341423 /nfs/dbraw/zinc/34/14/23/347341423.db2.gz GMACKUZJCMUXTG-ONGXEEELSA-N 0 0 190.290 2.807 10 0 AFAERN CC(C)c1cnn(C[C@H]2C[C@H]2C)c1 629377931 347341444 /nfs/dbraw/zinc/34/14/44/347341444.db2.gz PKLBBUCELHDWDM-NXEZZACHSA-N 0 0 178.279 2.663 10 0 AFAERN CCCC(=O)N1C[C@@H]2CCCC[C@@]21C 629609616 347352393 /nfs/dbraw/zinc/35/23/93/347352393.db2.gz BJOVASJACRNEQZ-JQWIXIFHSA-N 0 0 195.306 2.578 10 0 AFAERN CCCC(=O)N1CCCC2(CC1)CC2 629648021 347353023 /nfs/dbraw/zinc/35/30/23/347353023.db2.gz FEBWINWAJYWALR-UHFFFAOYSA-N 0 0 195.306 2.579 10 0 AFAERN CNc1ccc(NCC2(F)CC2)cc1 629653192 347354157 /nfs/dbraw/zinc/35/41/57/347354157.db2.gz IAFMIIQJDFYTNS-UHFFFAOYSA-N 0 0 194.253 2.642 10 0 AFAERN CCCc1ccccc1-c1nnco1 629763962 347357733 /nfs/dbraw/zinc/35/77/33/347357733.db2.gz KBWUSEWDKSOBNO-UHFFFAOYSA-N 0 0 188.230 2.689 10 0 AFAERN CC(C)c1ncc(-c2ccoc2)n1C 630050820 347359369 /nfs/dbraw/zinc/35/93/69/347359369.db2.gz FUWVNKCBVIYVLD-UHFFFAOYSA-N 0 0 190.246 2.804 10 0 AFAERN CCn1nc(C)cc1-c1coc(C)c1 630053275 347359472 /nfs/dbraw/zinc/35/94/72/347359472.db2.gz PBQKPBFKYRPTMU-UHFFFAOYSA-N 0 0 190.246 2.780 10 0 AFAERN Cc1cc(-c2cnc(C)n2C)cs1 630049985 347359524 /nfs/dbraw/zinc/35/95/24/347359524.db2.gz AOMOIHPBLKNRIY-UHFFFAOYSA-N 0 0 192.287 2.765 10 0 AFAERN CC(C)c1ncc(-c2ccco2)n1C 630050274 347359575 /nfs/dbraw/zinc/35/95/75/347359575.db2.gz NYSFFLSXUIVXGJ-UHFFFAOYSA-N 0 0 190.246 2.804 10 0 AFAERN CC[C@@H](CC(=O)NC(C)C)C(C)(C)C 630387952 347361454 /nfs/dbraw/zinc/36/14/54/347361454.db2.gz XKGVYVNMZBVSCQ-JTQLQIEISA-N 0 0 199.338 2.973 10 0 AFAERN CC[C@H](CC(=O)NC(C)C)C(C)(C)C 630387953 347361471 /nfs/dbraw/zinc/36/14/71/347361471.db2.gz XKGVYVNMZBVSCQ-SNVBAGLBSA-N 0 0 199.338 2.973 10 0 AFAERN CCCCc1csc(N2CCC2)n1 630386670 347361534 /nfs/dbraw/zinc/36/15/34/347361534.db2.gz TYWOAHXBGZFQMS-UHFFFAOYSA-N 0 0 196.319 2.696 10 0 AFAERN CCCCc1csc(COC)n1 630386825 347361711 /nfs/dbraw/zinc/36/17/11/347361711.db2.gz XTHKCAJESSFNST-UHFFFAOYSA-N 0 0 185.292 2.632 10 0 AFAERN CCNC(=O)C[C@H](CC)C(C)(C)C 630409431 347364086 /nfs/dbraw/zinc/36/40/86/347364086.db2.gz RETJCODOQUATJA-VIFPVBQESA-N 0 0 185.311 2.585 10 0 AFAERN CCNC(=O)C[C@@H](CC)C(C)(C)C 630409430 347364284 /nfs/dbraw/zinc/36/42/84/347364284.db2.gz RETJCODOQUATJA-SECBINFHSA-N 0 0 185.311 2.585 10 0 AFAERN CC[C@H](CC(=O)NC1CC1)C(C)(C)C 630411616 347364822 /nfs/dbraw/zinc/36/48/22/347364822.db2.gz HXPRCOFPKVSKQK-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H](CC(=O)NC1CC1)C(C)(C)C 630411619 347364903 /nfs/dbraw/zinc/36/49/03/347364903.db2.gz HXPRCOFPKVSKQK-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)CCNC(=O)C(C)C 630439798 347365434 /nfs/dbraw/zinc/36/54/34/347365434.db2.gz FYSVOXGLFROMAH-UHFFFAOYSA-N 0 0 185.311 2.585 10 0 AFAERN CCCNC(=O)C[C@@H](CC)C(C)(C)C 630427154 347365731 /nfs/dbraw/zinc/36/57/31/347365731.db2.gz DDDLIWKMXOHXAR-SNVBAGLBSA-N 0 0 199.338 2.975 10 0 AFAERN CCCNC(=O)C[C@H](CC)C(C)(C)C 630427151 347365756 /nfs/dbraw/zinc/36/57/56/347365756.db2.gz DDDLIWKMXOHXAR-JTQLQIEISA-N 0 0 199.338 2.975 10 0 AFAERN CCC(C)(C)c1cn(C(C)C)nn1 630586422 347367782 /nfs/dbraw/zinc/36/77/82/347367782.db2.gz NEJHZQCGCALOKP-UHFFFAOYSA-N 0 0 181.283 2.547 10 0 AFAERN CC[C@H](CC(=O)N1CCC1)C(C)(C)C 630572937 347367984 /nfs/dbraw/zinc/36/79/84/347367984.db2.gz QIAOTEQFJSXVCX-SNVBAGLBSA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@@H](CC(=O)N1CCC1)C(C)(C)C 630572936 347368004 /nfs/dbraw/zinc/36/80/04/347368004.db2.gz QIAOTEQFJSXVCX-JTQLQIEISA-N 0 0 197.322 2.681 10 0 AFAERN C/C=C/c1cn([C@@H]2CC[C@H](C)C2)nn1 630604974 347368533 /nfs/dbraw/zinc/36/85/33/347368533.db2.gz WMKCZHZJRIUETP-NCDNIOQDSA-N 0 0 191.278 2.672 10 0 AFAERN C/C=C\c1cn([C@@H]2CC[C@@H](C)C2)nn1 630604976 347368543 /nfs/dbraw/zinc/36/85/43/347368543.db2.gz WMKCZHZJRIUETP-QKXNICGJSA-N 0 0 191.278 2.672 10 0 AFAERN C/C=C/c1cn([C@@H]2CC[C@@H](C)C2)nn1 630604967 347368601 /nfs/dbraw/zinc/36/86/01/347368601.db2.gz WMKCZHZJRIUETP-IDFWJGBYSA-N 0 0 191.278 2.672 10 0 AFAERN C/C=C\c1cn([C@@H]2CC[C@H](C)C2)nn1 630604978 347368658 /nfs/dbraw/zinc/36/86/58/347368658.db2.gz WMKCZHZJRIUETP-QLCCLCOCSA-N 0 0 191.278 2.672 10 0 AFAERN CC[C@H](CC(=O)N(C)C)C(C)(C)C 630678668 347369898 /nfs/dbraw/zinc/36/98/98/347369898.db2.gz QSRDCSCNMQJULH-SECBINFHSA-N 0 0 185.311 2.537 10 0 AFAERN CC[C@@H](CC(=O)N(C)C)C(C)(C)C 630678675 347369977 /nfs/dbraw/zinc/36/99/77/347369977.db2.gz QSRDCSCNMQJULH-VIFPVBQESA-N 0 0 185.311 2.537 10 0 AFAERN CC[C@@H](CC(=O)N(C)CC)C(C)(C)C 630707677 347370530 /nfs/dbraw/zinc/37/05/30/347370530.db2.gz DVUYAOAZUPDLOD-JTQLQIEISA-N 0 0 199.338 2.927 10 0 AFAERN CC[C@H](CC(=O)N(C)CC)C(C)(C)C 630707678 347370606 /nfs/dbraw/zinc/37/06/06/347370606.db2.gz DVUYAOAZUPDLOD-SNVBAGLBSA-N 0 0 199.338 2.927 10 0 AFAERN Cc1cn(C[C@H]2C[C@@H]3C[C@@H]3C2)c(C)n1 631012535 347373680 /nfs/dbraw/zinc/37/36/80/347373680.db2.gz MDQFFGZUVJIDBM-ZSBIGDGJSA-N 0 0 190.290 2.546 10 0 AFAERN CC1(C)CC(Sc2cnccn2)C1 631010604 347373687 /nfs/dbraw/zinc/37/36/87/347373687.db2.gz GPXKOMKLANGAIP-UHFFFAOYSA-N 0 0 194.303 2.757 10 0 AFAERN Cc1cn([C@@H]2C=CCCC2)c(C)n1 631013006 347373833 /nfs/dbraw/zinc/37/38/33/347373833.db2.gz BANZSAWZYYQRIS-LLVKDONJSA-N 0 0 176.263 2.781 10 0 AFAERN Cc1cn(CC2CC(C)(C)C2)c(C)n1 631013001 347374005 /nfs/dbraw/zinc/37/40/05/347374005.db2.gz REGVAQBFROFGCU-UHFFFAOYSA-N 0 0 192.306 2.936 10 0 AFAERN CC[C@@H](C)Cn1cc(C)nc1C 631013924 347374568 /nfs/dbraw/zinc/37/45/68/347374568.db2.gz MHMYUWYPZIUIOQ-MRVPVSSYSA-N 0 0 166.268 2.546 10 0 AFAERN CC/C=C/CCn1cc(C)nc1C 631013071 347374594 /nfs/dbraw/zinc/37/45/94/347374594.db2.gz BPYMXVQTOHXBBY-AATRIKPKSA-N 0 0 178.279 2.856 10 0 AFAERN CC[C@H](C)Cn1cc(C)nc1C 631013934 347374639 /nfs/dbraw/zinc/37/46/39/347374639.db2.gz MHMYUWYPZIUIOQ-QMMMGPOBSA-N 0 0 166.268 2.546 10 0 AFAERN CC/C=C\CCn1cc(C)nc1C 631013072 347374815 /nfs/dbraw/zinc/37/48/15/347374815.db2.gz BPYMXVQTOHXBBY-WAYWQWQTSA-N 0 0 178.279 2.856 10 0 AFAERN CC1(C)CC(Sc2cccnn2)C1 631015871 347375333 /nfs/dbraw/zinc/37/53/33/347375333.db2.gz ZFOVVKPUGRMCMK-UHFFFAOYSA-N 0 0 194.303 2.757 10 0 AFAERN CCCCC(=O)CSc1ncco1 631016679 347375436 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632249459 347395233 /nfs/dbraw/zinc/39/52/33/347395233.db2.gz NNTMAVCVDHDSLU-VGMNWLOBSA-N 0 0 194.278 2.782 10 0 AFAERN CC[C@@H](C)Cc1noc([C@@H]2C[C@H]2C)n1 632249458 347395294 /nfs/dbraw/zinc/39/52/94/347395294.db2.gz NNTMAVCVDHDSLU-IWSPIJDZSA-N 0 0 194.278 2.782 10 0 AFAERN CC[C@H](C)Cc1noc(C2(F)CC2)n1 632251203 347395317 /nfs/dbraw/zinc/39/53/17/347395317.db2.gz ZRUDOJKIHLEVEJ-ZETCQYMHSA-N 0 0 198.241 2.617 10 0 AFAERN CC[C@@H](C)Cc1noc(C2(F)CC2)n1 632251202 347395338 /nfs/dbraw/zinc/39/53/38/347395338.db2.gz ZRUDOJKIHLEVEJ-SSDOTTSWSA-N 0 0 198.241 2.617 10 0 AFAERN CC(=O)N1CC[C@]1(C)C1CCCCC1 632789261 347398331 /nfs/dbraw/zinc/39/83/31/347398331.db2.gz PCMIJBVQGZVAIW-GFCCVEGCSA-N 0 0 195.306 2.578 10 0 AFAERN CC(=O)N1CC[C@@]1(C)C1CCCCC1 632789277 347398500 /nfs/dbraw/zinc/39/85/00/347398500.db2.gz PCMIJBVQGZVAIW-LBPRGKRZSA-N 0 0 195.306 2.578 10 0 AFAERN CCCCC(=O)N[C@@H]1CCCC12CC2 633770497 347404658 /nfs/dbraw/zinc/40/46/58/347404658.db2.gz JOXNCZUHTKAKLY-SNVBAGLBSA-N 0 0 195.306 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10 0 AFAERN CCC(F)(F)CNC1(C2CC2)CC1 639577280 347525587 /nfs/dbraw/zinc/52/55/87/347525587.db2.gz DIJACZJFCCTYLX-UHFFFAOYSA-N 0 0 189.249 2.564 10 0 AFAERN CN(CCCF)c1ccsc1 639735050 347533483 /nfs/dbraw/zinc/53/34/83/347533483.db2.gz DLGHJIDJQNIVJA-UHFFFAOYSA-N 0 0 173.256 2.544 10 0 AFAERN CCOCCCN(C)c1ccsc1 639735105 347533499 /nfs/dbraw/zinc/53/34/99/347533499.db2.gz GBWRMABNVOGSEG-UHFFFAOYSA-N 0 0 199.319 2.611 10 0 AFAERN C1CCON(CCC2CCC2)CC1 640124491 347546812 /nfs/dbraw/zinc/54/68/12/347546812.db2.gz UWRXKGLZKPPQNR-UHFFFAOYSA-N 0 0 183.295 2.594 10 0 AFAERN C1CCON(CC2CCCC2)CC1 640122682 347546039 /nfs/dbraw/zinc/54/60/39/347546039.db2.gz DIYDCWRPQPKTQJ-UHFFFAOYSA-N 0 0 183.295 2.594 10 0 AFAERN C1=C[C@H](N2CCCCCO2)CCC1 640122965 347546206 /nfs/dbraw/zinc/54/62/06/347546206.db2.gz HNSPXFGMFORFOV-NSHDSACASA-N 0 0 181.279 2.513 10 0 AFAERN C1=C[C@@H](N2CCCCCO2)CCC1 640122964 347546319 /nfs/dbraw/zinc/54/63/19/347546319.db2.gz HNSPXFGMFORFOV-LLVKDONJSA-N 0 0 181.279 2.513 10 0 AFAERN 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/nfs/dbraw/zinc/56/06/87/347560687.db2.gz GUZUWZRFKTXQDX-QNMAEOQASA-N 0 0 191.278 2.668 10 0 AFAERN C/C=C/c1cn(CC/C=C/CC)nn1 641065550 347560695 /nfs/dbraw/zinc/56/06/95/347560695.db2.gz GUZUWZRFKTXQDX-PTFSRLPTSA-N 0 0 191.278 2.668 10 0 AFAERN CCCC1(C(=O)N2CC[C@H]2C)CCC1 641239656 347563463 /nfs/dbraw/zinc/56/34/63/347563463.db2.gz ATWOKDPKHJPAMD-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CCCC1(C(=O)N2CC[C@@H]2C)CCC1 641239655 347563531 /nfs/dbraw/zinc/56/35/31/347563531.db2.gz ATWOKDPKHJPAMD-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CCC(CC)(CC)C(=O)N1CC[C@@H]1C 641240116 347563553 /nfs/dbraw/zinc/56/35/53/347563553.db2.gz DHMJCKSRRXKPMW-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CCC(CC)(CC)C(=O)N1CC[C@H]1C 641240117 347563731 /nfs/dbraw/zinc/56/37/31/347563731.db2.gz DHMJCKSRRXKPMW-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN C[C@@H]1CCN1C(=O)C1CCCCCC1 641240959 347564233 /nfs/dbraw/zinc/56/42/33/347564233.db2.gz IETDZVLWWUFITC-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN C[C@H]1CCN1C(=O)C1CCCCCC1 641240958 347564337 /nfs/dbraw/zinc/56/43/37/347564337.db2.gz IETDZVLWWUFITC-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CCCCSc1ccc(C)nn1 641454287 347572729 /nfs/dbraw/zinc/57/27/29/347572729.db2.gz DCOVKEAEFHAIMV-UHFFFAOYSA-N 0 0 182.292 2.677 10 0 AFAERN CCC(F)(F)Cn1cc(C)nc1C 641471761 347573762 /nfs/dbraw/zinc/57/37/62/347573762.db2.gz DNZMBQKYGYCDQJ-UHFFFAOYSA-N 0 0 188.221 2.545 10 0 AFAERN CC(C)=CCSc1ncncc1C 641541689 347575743 /nfs/dbraw/zinc/57/57/43/347575743.db2.gz GQAWGDJXVBKBFE-UHFFFAOYSA-N 0 0 194.303 2.843 10 0 AFAERN CC(C)(C)c1ccnc(NCCF)c1 641550695 347576386 /nfs/dbraw/zinc/57/63/86/347576386.db2.gz YOYVBWGDMSXPKW-UHFFFAOYSA-N 0 0 196.269 2.761 10 0 AFAERN CCC(C)(C)CCn1cc(OC)cn1 641729271 347582160 /nfs/dbraw/zinc/58/21/60/347582160.db2.gz XNXSSKUZCFRFNJ-UHFFFAOYSA-N 0 0 196.294 2.718 10 0 AFAERN CCCC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1C 641823351 347585431 /nfs/dbraw/zinc/58/54/31/347585431.db2.gz TWHKYZGCCABKOB-GMTAPVOTSA-N 0 0 197.322 2.680 10 0 AFAERN CCCC[C@@H](C)N(C)C(=O)[C@H]1C[C@@H]1C 641836270 347585766 /nfs/dbraw/zinc/58/57/66/347585766.db2.gz TWHKYZGCCABKOB-AXFHLTTASA-N 0 0 197.322 2.680 10 0 AFAERN COCCOc1cc(C)cc(C)c1C 641850301 347586368 /nfs/dbraw/zinc/58/63/68/347586368.db2.gz CDVZYXBCBQNLTR-UHFFFAOYSA-N 0 0 194.274 2.637 10 0 AFAERN CC[C@H](C)C(=O)NCCC1CCCC1 641956340 347587263 /nfs/dbraw/zinc/58/72/63/347587263.db2.gz PGSGEPFBDXCVRX-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)CC(=O)NCCC1CCCC1 641954709 347587514 /nfs/dbraw/zinc/58/75/14/347587514.db2.gz JFYVKYZPJQOYPX-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCCCC(=O)NCCC1CCCC1 641954718 347587583 /nfs/dbraw/zinc/58/75/83/347587583.db2.gz RZLHWSZUJOOVPW-UHFFFAOYSA-N 0 0 197.322 2.873 10 0 AFAERN CC[C@@H](C)C(=O)NCCC1CCCC1 641956341 347587622 /nfs/dbraw/zinc/58/76/22/347587622.db2.gz PGSGEPFBDXCVRX-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CCCN(CC)C(=O)C1(C)CCCC1 642079897 347588801 /nfs/dbraw/zinc/58/88/01/347588801.db2.gz DPSXUVCDOJBPOB-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CC/C=C\CCn1cnc(C2CC2)n1 642332355 347593312 /nfs/dbraw/zinc/59/33/12/347593312.db2.gz GQZGIRAVCOMYEX-ARJAWSKDSA-N 0 0 191.278 2.512 10 0 AFAERN O[C@@H]1CCCOc2cc(Cl)ccc21 346910 351276425 /nfs/dbraw/zinc/27/64/25/351276425.db2.gz JBSPQEAJKPDCJG-SECBINFHSA-N 0 0 198.649 2.546 10 0 AFAERN c1ccc2[nH]c(-c3cnco3)cc2c1 386957 351276847 /nfs/dbraw/zinc/27/68/47/351276847.db2.gz BEBLWCZQFBJRRA-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Cc1c(N)cc(Cl)c(O)c1Cl 396944 351279054 /nfs/dbraw/zinc/27/90/54/351279054.db2.gz UKDFVSCRHPFVOI-UHFFFAOYSA-N 0 0 192.045 2.590 10 0 in-vitro AFAERN c1ccc(Cc2cnsc2)cc1 409347 351280277 /nfs/dbraw/zinc/28/02/77/351280277.db2.gz YEPBKWKFFVWMDX-UHFFFAOYSA-N 0 0 175.256 2.734 10 0 AFAERN c1ccc(CO[C@H]2CCCCO2)cc1 404174 351280438 /nfs/dbraw/zinc/28/04/38/351280438.db2.gz DGBGIIPEHWOEQZ-LBPRGKRZSA-N 0 0 192.258 2.730 10 0 AFAERN c1cc2c(cn1)cnc1sccc12 481002 351280815 /nfs/dbraw/zinc/28/08/15/351280815.db2.gz QHMIKZNQCBVQNW-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 in-vitro AFAERN c1cnc2ncc3cscc3c2c1 480999 351281203 /nfs/dbraw/zinc/28/12/03/351281203.db2.gz DAPNBTYSUUIEDJ-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN c1coc(-c2ncc3ccccc3n2)c1 481134 351281225 /nfs/dbraw/zinc/28/12/25/351281225.db2.gz GWBVDHNRTRASFL-UHFFFAOYSA-N 0 0 196.209 2.890 10 0 AFAERN CCOc1cc2ccccc2n1C 715773 351282330 /nfs/dbraw/zinc/28/23/30/351282330.db2.gz NPZRCEMZSGEWOB-UHFFFAOYSA-N 0 0 175.231 2.577 10 0 AFAERN CCO[C@@H](CC(C)=O)c1ccccc1 1481042 351286147 /nfs/dbraw/zinc/28/61/47/351286147.db2.gz KYSBBACQJIWEJY-LBPRGKRZSA-N 0 0 192.258 2.743 10 0 AFAERN c1ccc(Cc2ccc[nH]2)cc1 1574588 351288467 /nfs/dbraw/zinc/28/84/67/351288467.db2.gz YZKAGUHQYDCQOL-UHFFFAOYSA-N 0 0 157.216 2.606 10 0 AFAERN O=P1(c2ccccc2)CCCCC1 1612965 351290612 /nfs/dbraw/zinc/29/06/12/351290612.db2.gz IDMWCMSMIDBTLE-UHFFFAOYSA-N 0 0 194.214 2.859 10 0 AFAERN C[C@@H]1CC[P@@](=O)(c2ccccc2)C1 1612987 351290766 /nfs/dbraw/zinc/29/07/66/351290766.db2.gz NMWVKRPDPIADRN-MFKMUULPSA-N 0 0 194.214 2.715 10 0 AFAERN C[C@@H]1CC[P@](=O)(c2ccccc2)C1 1612985 351290787 /nfs/dbraw/zinc/29/07/87/351290787.db2.gz NMWVKRPDPIADRN-ZWNOBZJWSA-N 0 0 194.214 2.715 10 0 AFAERN O[C@H]1CCC[C@H]1Sc1ccccc1 1618031 351290998 /nfs/dbraw/zinc/29/09/98/351290998.db2.gz JIAWDQCLDCXYTK-WDEREUQCSA-N 0 0 194.299 2.692 10 0 AFAERN CC(C)C/C=C(/CO)C(C)C 2006902 351301050 /nfs/dbraw/zinc/30/10/50/351301050.db2.gz VUGJPGPMYGKRPW-POHAHGRESA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)C(C)(Cl)Cl 2017859 351301103 /nfs/dbraw/zinc/30/11/03/351301103.db2.gz WIQMOFSSJHPXIK-UHFFFAOYSA-N 0 0 141.041 2.836 10 0 AFAERN C[C@@H]1CCCC1(C)C 2034546 351302185 /nfs/dbraw/zinc/30/21/85/351302185.db2.gz WINCSBAYCULVDU-SSDOTTSWSA-N 0 0 112.216 2.833 10 0 AFAERN CCO[P@@](C)(=O)SCC 2383153 351306252 /nfs/dbraw/zinc/30/62/52/351306252.db2.gz AIMOGGQLCCAPQJ-MRVPVSSYSA-N 0 0 168.198 2.599 10 0 in-vitro AFAERN CC(C)CCC(=O)c1ccncc1 2524920 351309290 /nfs/dbraw/zinc/30/92/90/351309290.db2.gz RDTRVZRTUPCVBM-UHFFFAOYSA-N 0 0 177.247 2.701 10 0 AFAERN C[C@@H]1C[C@@](C)(c2ccccc2)CO1 2534722 351309924 /nfs/dbraw/zinc/30/99/24/351309924.db2.gz GPMLJOOQCIHFET-ZYHUDNBSSA-N 0 0 176.259 2.753 10 0 endogenous,in-man AFAERN CC(C)CPCC(C)C 2562319 351312449 /nfs/dbraw/zinc/31/24/49/351312449.db2.gz LREAZWJEBORMTB-UHFFFAOYSA-N 0 0 146.214 2.977 10 0 AFAERN OCC1(c2ccccc2)CCCCC1 3643456 351318286 /nfs/dbraw/zinc/31/82/86/351318286.db2.gz NZIDEIRWYRJYAI-UHFFFAOYSA-N 0 0 190.286 2.881 10 0 in-vitro AFAERN c1ccc([C@H]2Cc3ccccc3N2)nc1 3715007 351319464 /nfs/dbraw/zinc/31/94/64/351319464.db2.gz PYVFHCIQEACZNT-CYBMUJFWSA-N 0 0 196.253 2.791 10 0 in-vitro AFAERN CCO[P@]1(=O)CCC[C@@H](C)C1 3844336 351320463 /nfs/dbraw/zinc/32/04/63/351320463.db2.gz PKUTWSKGCIVVON-LDYMZIIASA-N 0 0 176.196 2.731 10 0 AFAERN CCO[P@@]1(=O)CCC[C@H](C)C1 3844333 351320648 /nfs/dbraw/zinc/32/06/48/351320648.db2.gz PKUTWSKGCIVVON-KWQFWETISA-N 0 0 176.196 2.731 10 0 AFAERN S=c1[nH]cc(CC2CC=CC2)[nH]1 3819784 351321072 /nfs/dbraw/zinc/32/10/72/351321072.db2.gz FOOHYFUHXGIXNK-UHFFFAOYSA-N 0 0 180.276 2.581 10 0 AFAERN C/C=C/c1cccc(OC)c1 5132938 351339049 /nfs/dbraw/zinc/33/90/49/351339049.db2.gz FVTQCDKWCMFOKX-HWKANZROSA-N 0 0 148.205 2.728 10 0 AFAERN ClN1C2CCCC1CCC2 5133527 351339768 /nfs/dbraw/zinc/33/97/68/351339768.db2.gz JMLWQDURPCLFLN-UHFFFAOYSA-N 0 0 159.660 2.547 10 0 AFAERN CC(C)=C1Oc2ccccc2N1C 5137945 351339974 /nfs/dbraw/zinc/33/99/74/351339974.db2.gz SCKWCGDUCJVVHY-UHFFFAOYSA-N 0 0 175.231 2.767 10 0 AFAERN C[C@@H]1CCC[C@@H](C)N1C(=O)C(C)(C)C 5369560 351342604 /nfs/dbraw/zinc/34/26/04/351342604.db2.gz UXKHJPMTWKRGHI-NXEZZACHSA-N 0 0 197.322 2.822 10 0 AFAERN CC(C)C1=CCC(CCOC=O)=CC1 5359843 351342770 /nfs/dbraw/zinc/34/27/70/351342770.db2.gz VQKSHQQZPYHYOS-UHFFFAOYSA-N 0 0 194.274 2.852 10 0 AFAERN CC[C@@H](C)CCCC(C)=O 5922100 351348427 /nfs/dbraw/zinc/34/84/27/351348427.db2.gz FYYTUZVGGBLDOP-MRVPVSSYSA-N 0 0 142.242 2.792 10 0 AFAERN CC[C@@H](C)Oc1ccccc1 5922439 351348492 /nfs/dbraw/zinc/34/84/92/351348492.db2.gz VJQIPKNMASGCOC-SECBINFHSA-N 0 0 150.221 2.864 10 0 AFAERN CC(C)=CCC[C@]1(C)OC[C@@H](C)O1 6031292 351348704 /nfs/dbraw/zinc/34/87/04/351348704.db2.gz WBZMYLUNPPFHTA-GHMZBOCLSA-N 0 0 184.279 2.884 10 0 endogenous,in-man AFAERN C[C@@H](OC=O)[C@H]1CCCC(C)(C)C1 6037019 351348881 /nfs/dbraw/zinc/34/88/81/351348881.db2.gz NFASPEPDTMCBEN-ZJUUUORDSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)=CCC[C@@]1(C)OC[C@H](C)O1 6037917 351349026 /nfs/dbraw/zinc/34/90/26/351349026.db2.gz WBZMYLUNPPFHTA-QWRGUYRKSA-N 0 0 184.279 2.884 10 0 endogenous,in-man AFAERN CC(C)=CCC[C@@H](C)[C@@H](C)CO 6036276 351349132 /nfs/dbraw/zinc/34/91/32/351349132.db2.gz FDEBVYXMAXZAIP-MNOVXSKESA-N 0 0 170.296 2.997 10 0 AFAERN CC(C)=CCC[C@@]1(C)OC[C@@H](C)O1 6031308 351349287 /nfs/dbraw/zinc/34/92/87/351349287.db2.gz WBZMYLUNPPFHTA-MNOVXSKESA-N 0 0 184.279 2.884 10 0 endogenous,in-man AFAERN CC(C)C[C@@H]1C[C@H](C)CCO1 6030938 351349298 /nfs/dbraw/zinc/34/92/98/351349298.db2.gz LETLQGKRPMMKKC-NXEZZACHSA-N 0 0 156.269 2.848 10 0 AFAERN C[C@@H](OC=O)[C@@H]1CCCC(C)(C)C1 6036942 351349321 /nfs/dbraw/zinc/34/93/21/351349321.db2.gz NFASPEPDTMCBEN-NXEZZACHSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)C[C@@H]1C[C@@H](C)CCO1 6037608 351349402 /nfs/dbraw/zinc/34/94/02/351349402.db2.gz LETLQGKRPMMKKC-VHSXEESVSA-N 0 0 156.269 2.848 10 0 AFAERN CC(C)C[C@H]1C[C@H](C)CCO1 6030944 351349450 /nfs/dbraw/zinc/34/94/50/351349450.db2.gz LETLQGKRPMMKKC-ZJUUUORDSA-N 0 0 156.269 2.848 10 0 AFAERN O=[N+]([O-])/C=C\c1ccc(Cl)s1 6097144 351349814 /nfs/dbraw/zinc/34/98/14/351349814.db2.gz IEFOBMWMGIWTAW-ARJAWSKDSA-N 0 0 189.623 2.649 10 0 AFAERN c1ccc2c(c1)[nH]c1sncc12 6117762 351350311 /nfs/dbraw/zinc/35/03/11/351350311.db2.gz NHMBEDDKDVIBQD-UHFFFAOYSA-N 0 0 174.228 2.778 10 0 endogenous,in-man AFAERN OC1(c2cccs2)CCCC1 6243189 351350852 /nfs/dbraw/zinc/35/08/52/351350852.db2.gz LVYUFFCWBHKMRH-UHFFFAOYSA-N 0 0 168.261 2.510 10 0 AFAERN CCOc1cccc(-n2cccc2)c1 6870595 351354818 /nfs/dbraw/zinc/35/48/18/351354818.db2.gz FFFGWFRFKNGDCY-UHFFFAOYSA-N 0 0 187.242 2.876 10 0 AFAERN CC[C@@H](C)Nc1nc(C)cs1 8326079 351355874 /nfs/dbraw/zinc/35/58/74/351355874.db2.gz LACMKTCKRPGSRP-ZCFIWIBFSA-N 0 0 170.281 2.662 10 0 AFAERN OCc1cccc(OC2CCCC2)c1 9280643 351358204 /nfs/dbraw/zinc/35/82/04/351358204.db2.gz QIPAGZOAXLERSI-UHFFFAOYSA-N 0 0 192.258 2.500 10 0 AFAERN S=c1[nH]cnc2ccc(Cl)cc12 11804358 351360752 /nfs/dbraw/zinc/36/07/52/351360752.db2.gz ZQATYJZYUQMTBG-UHFFFAOYSA-N 0 0 196.662 2.946 10 0 AFAERN CCO[P@](C)(=O)SCC 12358649 351363483 /nfs/dbraw/zinc/36/34/83/351363483.db2.gz AIMOGGQLCCAPQJ-QMMMGPOBSA-N 0 0 168.198 2.599 10 0 in-vitro AFAERN C[C@H]1SCc2nc3ccccc3n21 13216289 351367526 /nfs/dbraw/zinc/36/75/26/351367526.db2.gz LWMCALUODNGSKW-SSDOTTSWSA-N 0 0 190.271 2.802 10 0 AFAERN c1ccc(Cn2cncc2C2CC2)cc1 13580728 351371334 /nfs/dbraw/zinc/37/13/34/351371334.db2.gz CLOMRRFEJDGMBE-UHFFFAOYSA-N 0 0 198.269 2.809 10 0 AFAERN CO[C@@H]1OC=C(C)[C@H]2CC[C@@H](C)[C@H]21 14556871 351373585 /nfs/dbraw/zinc/37/35/85/351373585.db2.gz IGZUHQCEDUZXSS-QCNRFFRDSA-N 0 0 182.263 2.555 10 0 AFAERN CCC/C=C/c1cccc(O)c1CO 14502623 351374044 /nfs/dbraw/zinc/37/40/44/351374044.db2.gz DBQOSYCAGOGELV-GQCTYLIASA-N 0 0 192.258 2.698 10 0 AFAERN CC(C)C1=CC[C@](C)(O)CC1 14588974 351374477 /nfs/dbraw/zinc/37/44/77/351374477.db2.gz XJWZDXFFNOMMTD-JTQLQIEISA-N 0 0 154.253 2.504 10 0 endogenous,in-man AFAERN CCCCC[C@H]1OC(=O)CC[C@H]1C 14724291 351375992 /nfs/dbraw/zinc/37/59/92/351375992.db2.gz WIFKBFWYBNWBQS-NXEZZACHSA-N 0 0 184.279 2.908 10 0 AFAERN O[C@H]1CCCC[C@H]1c1cccc(F)c1 15440918 351377608 /nfs/dbraw/zinc/37/76/08/351377608.db2.gz IENDGNAFCBHKHK-RYUDHWBXSA-N 0 0 194.249 2.844 10 0 AFAERN CC[C@@H](C)Cc1nc(C)cnc1C 15120081 351377934 /nfs/dbraw/zinc/37/79/34/351377934.db2.gz ARMKFUTVMIEDJN-MRVPVSSYSA-N 0 0 178.279 2.682 10 0 AFAERN O[C@H]1CCC[C@@H]1c1ccc(F)c(F)c1 15440776 351377985 /nfs/dbraw/zinc/37/79/85/351377985.db2.gz OATAHLJIXRYLOI-KCJUWKMLSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CCCC[C@@H]1c1cccc(F)c1 15440915 351378014 /nfs/dbraw/zinc/37/80/14/351378014.db2.gz IENDGNAFCBHKHK-NEPJUHHUSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@@H]1CCC[C@@H]1c1ccc(F)c(F)c1 15440774 351378048 /nfs/dbraw/zinc/37/80/48/351378048.db2.gz OATAHLJIXRYLOI-LDYMZIIASA-N 0 0 198.212 2.593 10 0 AFAERN Cc1ccoc1C(=O)CC(C)C 15150836 351378138 /nfs/dbraw/zinc/37/81/38/351378138.db2.gz MYPGRLGQLDFZMK-UHFFFAOYSA-N 0 0 166.220 2.817 10 0 biogenic,in-vitro AFAERN O[C@@H]1CCCC[C@@H]1c1cccc(F)c1 15440913 351378228 /nfs/dbraw/zinc/37/82/28/351378228.db2.gz IENDGNAFCBHKHK-VXGBXAGGSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@@H](c1ccccc1)c1ccsc1 15781375 351378716 /nfs/dbraw/zinc/37/87/16/351378716.db2.gz JHODTSHRBQFXAJ-NSHDSACASA-N 0 0 190.267 2.830 10 0 AFAERN Oc1cccc(-c2ccco2)c1 16947009 351381042 /nfs/dbraw/zinc/38/10/42/351381042.db2.gz ABRXUYBBUJFCSR-UHFFFAOYSA-N 0 0 160.172 2.652 10 0 AFAERN c1ncc(-c2ccc3[nH]ccc3c2)cn1 16947405 351381577 /nfs/dbraw/zinc/38/15/77/351381577.db2.gz JCYXZFZCAIZEHZ-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC[C@@H](C)c1ccc(OC)c(N)c1 19864026 351395323 /nfs/dbraw/zinc/39/53/23/351395323.db2.gz DJBAYTRTAUJIRR-MRVPVSSYSA-N 0 0 179.263 2.791 10 0 AFAERN O[C@@]12CCCCC1=Nc1ccccc12 19866065 351395351 /nfs/dbraw/zinc/39/53/51/351395351.db2.gz MJRMOJRZUNJPCJ-GFCCVEGCSA-N 0 0 187.242 2.534 10 0 AFAERN O=Cc1ccc2c(ccn2CC2CC2)c1 20494331 351406101 /nfs/dbraw/zinc/40/61/01/351406101.db2.gz CPDGBHYAZUNQCX-UHFFFAOYSA-N 0 0 199.253 2.864 10 0 AFAERN O[C@@H](Cc1ccco1)c1ccccc1 21990966 351409650 /nfs/dbraw/zinc/40/96/50/351409650.db2.gz VKTAFEHMHABLII-LBPRGKRZSA-N 0 0 188.226 2.556 10 0 AFAERN C[C@@H]1CCCN1c1ccccc1 21995191 351409763 /nfs/dbraw/zinc/40/97/63/351409763.db2.gz QVVAILSOPPPFHW-SNVBAGLBSA-N 0 0 161.248 2.675 10 0 AFAERN S=C1Cc2ccc(Cl)cc2N1 21990051 351410201 /nfs/dbraw/zinc/41/02/01/351410201.db2.gz AWFJVVLDDABADI-UHFFFAOYSA-N 0 0 183.663 2.635 10 0 AFAERN c1coc(-c2cc3ccncc3[nH]2)c1 22004862 351410709 /nfs/dbraw/zinc/41/07/09/351410709.db2.gz YOHQMGPRAPNEIY-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN c1ccc(NNC2CCCCC2)cc1 22007637 351410969 /nfs/dbraw/zinc/41/09/69/351410969.db2.gz UUHXCOGOBLTVJX-UHFFFAOYSA-N 0 0 190.290 2.936 10 0 AFAERN c1cc2c(cc1C1CC1)CCCN2 22201434 351413376 /nfs/dbraw/zinc/41/33/76/351413376.db2.gz HWQMHOYYWJFSAD-UHFFFAOYSA-N 0 0 173.259 2.922 10 0 AFAERN C[C@@H]1O[C@H]1c1ccc(Cl)cc1 22211728 351413417 /nfs/dbraw/zinc/41/34/17/351413417.db2.gz ULTCUVAEPPZZLR-IMTBSYHQSA-N 0 0 168.623 2.800 10 0 AFAERN c1cc2c(c3c1CCCC3)NCCC2 22221870 351413728 /nfs/dbraw/zinc/41/37/28/351413728.db2.gz PVQOUFYDJVEFGI-UHFFFAOYSA-N 0 0 187.286 2.924 10 0 AFAERN Oc1ccc(/C=C/c2cccnc2)cc1 25986955 351418258 /nfs/dbraw/zinc/41/82/58/351418258.db2.gz QKMYQGPZABXECA-ONEGZZNKSA-N 0 0 197.237 2.958 10 0 AFAERN CCOc1ccc(C)c(OCC)c1 25723772 351418438 /nfs/dbraw/zinc/41/84/38/351418438.db2.gz UAKLAMRGOJLCEP-UHFFFAOYSA-N 0 0 180.247 2.792 10 0 AFAERN CC(C)CNc1ccc(N)cc1Cl 26516796 351418890 /nfs/dbraw/zinc/41/88/90/351418890.db2.gz FCBHUGWECXIZBJ-UHFFFAOYSA-N 0 0 198.697 2.990 10 0 AFAERN c1ccc(-c2cc3c(nn2)CCC3)cc1 27215342 351420392 /nfs/dbraw/zinc/42/03/92/351420392.db2.gz BDMJRBMWMQOMJU-UHFFFAOYSA-N 0 0 196.253 2.632 10 0 AFAERN c1ccc(-n2cc3c(n2)CCCC3)cc1 26897323 351421155 /nfs/dbraw/zinc/42/11/55/351421155.db2.gz YEWUAGWSBSMPFN-UHFFFAOYSA-N 0 0 198.269 2.751 10 0 AFAERN O[C@@H](Cc1cccc(Cl)c1)C1CC1 32009447 351425382 /nfs/dbraw/zinc/42/53/82/351425382.db2.gz OWRTVOTWWLKYMG-NSHDSACASA-N 0 0 196.677 2.653 10 0 AFAERN CC(C)(O)CNc1ccc(Cl)cc1 32009862 351425552 /nfs/dbraw/zinc/42/55/52/351425552.db2.gz ORNDHOGCVPCQOC-UHFFFAOYSA-N 0 0 199.681 2.523 10 0 AFAERN c1ccc(NCc2ccoc2)cc1 29058492 351422435 /nfs/dbraw/zinc/42/24/35/351422435.db2.gz SLQYLYZDAGTVRH-UHFFFAOYSA-N 0 0 173.215 2.892 10 0 AFAERN CC(C)C[C@@H](O)c1cccs1 32006580 351424354 /nfs/dbraw/zinc/42/43/54/351424354.db2.gz ITCQHMQTQFZFKW-MRVPVSSYSA-N 0 0 170.277 2.828 10 0 AFAERN CC(C)C[C@H](O)c1cccs1 32006582 351424609 /nfs/dbraw/zinc/42/46/09/351424609.db2.gz ITCQHMQTQFZFKW-QMMMGPOBSA-N 0 0 170.277 2.828 10 0 AFAERN CC(C)(O)CNc1ccccc1Cl 32009858 351425273 /nfs/dbraw/zinc/42/52/73/351425273.db2.gz ILGADYFDLQVNGR-UHFFFAOYSA-N 0 0 199.681 2.523 10 0 AFAERN O[C@H](Cc1cccc(Cl)c1)C1CC1 32009449 351425315 /nfs/dbraw/zinc/42/53/15/351425315.db2.gz OWRTVOTWWLKYMG-LLVKDONJSA-N 0 0 196.677 2.653 10 0 AFAERN CC(C)(O)CNc1cccc(Cl)c1 32009860 351425421 /nfs/dbraw/zinc/42/54/21/351425421.db2.gz KRRKAGLHHSQGKH-UHFFFAOYSA-N 0 0 199.681 2.523 10 0 AFAERN O[C@@H](c1ccco1)C1CCCCC1 32007453 351425671 /nfs/dbraw/zinc/42/56/71/351425671.db2.gz CNTRZFPEDXSXBZ-LLVKDONJSA-N 0 0 180.247 2.893 10 0 AFAERN O[C@H](c1ccco1)C1CCCCC1 32007451 351425741 /nfs/dbraw/zinc/42/57/41/351425741.db2.gz CNTRZFPEDXSXBZ-NSHDSACASA-N 0 0 180.247 2.893 10 0 AFAERN C[C@@H]1CSc2ccccc21 32172947 351426347 /nfs/dbraw/zinc/42/63/47/351426347.db2.gz PXUVIKWTMKACRQ-SSDOTTSWSA-N 0 0 150.246 2.896 10 0 AFAERN OC1(c2ccco2)CCCCCC1 32147239 351426619 /nfs/dbraw/zinc/42/66/19/351426619.db2.gz AURDSNDBCQNDDI-UHFFFAOYSA-N 0 0 180.247 2.821 10 0 AFAERN CC[C@@H](C)Cc1ncc(C)nc1C 32146120 351426896 /nfs/dbraw/zinc/42/68/96/351426896.db2.gz QCYKDMGIICAOSJ-MRVPVSSYSA-N 0 0 178.279 2.682 10 0 AFAERN CC(C)=Cc1cc(C)ccn1 32189096 351427715 /nfs/dbraw/zinc/42/77/15/351427715.db2.gz PPSYASYDDAKJPW-UHFFFAOYSA-N 0 0 147.221 2.813 10 0 AFAERN CC[C@@H](C)c1nccnc1Cl 32187941 351427580 /nfs/dbraw/zinc/42/75/80/351427580.db2.gz RUOSCDIBHOBYED-ZCFIWIBFSA-N 0 0 170.643 2.644 10 0 AFAERN CCCC[C@H](C)C(C)(C)O 33650048 351430955 /nfs/dbraw/zinc/43/09/55/351430955.db2.gz PQSMEVPHTJECDZ-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN O[C@@H]1CCCC[C@H]1OC1CCCCC1 33605757 351430978 /nfs/dbraw/zinc/43/09/78/351430978.db2.gz GBQDQIHYVCMANU-VXGBXAGGSA-N 0 0 198.306 2.639 10 0 AFAERN CC[C@@H](C)C[C@H](C)CCCO 33605482 351431011 /nfs/dbraw/zinc/43/10/11/351431011.db2.gz JOWDWXPTKVUHBV-NXEZZACHSA-N 0 0 158.285 2.831 10 0 AFAERN c1cncc([C@H]2Cc3ccccc3N2)c1 33594294 351431229 /nfs/dbraw/zinc/43/12/29/351431229.db2.gz MPYILOGRFHUZPZ-CYBMUJFWSA-N 0 0 196.253 2.791 10 0 AFAERN CC[C@@H](C)Cc1ccccn1 33606862 351431294 /nfs/dbraw/zinc/43/12/94/351431294.db2.gz DWJZUJQFGRPDRD-SECBINFHSA-N 0 0 149.237 2.670 10 0 AFAERN c1cncc([C@@H]2Cc3ccccc3N2)c1 33594293 351431640 /nfs/dbraw/zinc/43/16/40/351431640.db2.gz MPYILOGRFHUZPZ-ZDUSSCGKSA-N 0 0 196.253 2.791 10 0 AFAERN ONc1ccc(Cl)cc1Cl 33506698 351431663 /nfs/dbraw/zinc/43/16/63/351431663.db2.gz UFVLBYBGSVNPQI-UHFFFAOYSA-N 0 0 178.018 2.795 10 0 AFAERN CCCC[C@@H](C)C(C)(C)O 33650047 351431714 /nfs/dbraw/zinc/43/17/14/351431714.db2.gz PQSMEVPHTJECDZ-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN c1ccc2c(c1)NC[C@H]1CCC[C@@H]21 33765575 351432865 /nfs/dbraw/zinc/43/28/65/351432865.db2.gz RECFGDIQHWJCFR-NXEZZACHSA-N 0 0 173.259 2.996 10 0 AFAERN CC(C)CCCC[C@H](C)O 33949629 351433362 /nfs/dbraw/zinc/43/33/62/351433362.db2.gz NOEKZKTXHKNMAQ-VIFPVBQESA-N 0 0 144.258 2.584 10 0 AFAERN CC(C)C1(O)CCCCCC1 34060515 351433399 /nfs/dbraw/zinc/43/33/99/351433399.db2.gz QXMUYPHHLVIBTB-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN CCO[C@@H](C)OCc1ccccc1 34065093 351433442 /nfs/dbraw/zinc/43/34/42/351433442.db2.gz QZLCHWYDADOBGM-SNVBAGLBSA-N 0 0 180.247 2.586 10 0 AFAERN C[C@@H]1CCC[C@@](O)(C(C)(C)C)C1 33952962 351433624 /nfs/dbraw/zinc/43/36/24/351433624.db2.gz PYDPNWPNDMTDCF-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CCO[C@H](C)OCc1ccccc1 34065094 351433662 /nfs/dbraw/zinc/43/36/62/351433662.db2.gz QZLCHWYDADOBGM-JTQLQIEISA-N 0 0 180.247 2.586 10 0 AFAERN CC[C@@H](C)C(=O)c1ccc(C)o1 34069340 351435087 /nfs/dbraw/zinc/43/50/87/351435087.db2.gz NIPYOUITMJTPBC-SSDOTTSWSA-N 0 0 166.220 2.817 10 0 AFAERN CC(C)=C[C@@H](O)c1ccccc1 33946398 351433767 /nfs/dbraw/zinc/43/37/67/351433767.db2.gz TZWGINWXGYBGLY-LLVKDONJSA-N 0 0 162.232 2.686 10 0 AFAERN CC(C)CCCC[C@@H](C)O 33949628 351434076 /nfs/dbraw/zinc/43/40/76/351434076.db2.gz NOEKZKTXHKNMAQ-SECBINFHSA-N 0 0 144.258 2.584 10 0 AFAERN Oc1ccccc1-c1ccns1 34287965 351438011 /nfs/dbraw/zinc/43/80/11/351438011.db2.gz UYSSACLVCFURJI-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN S=c1cc2ccccc2c[nH]1 34286225 351438113 /nfs/dbraw/zinc/43/81/13/351438113.db2.gz WRIZFUVYABPOLN-UHFFFAOYSA-N 0 0 161.229 2.897 10 0 AFAERN O[C@@H]1CCc2cc3ccccc3cc21 34305126 351438157 /nfs/dbraw/zinc/43/81/57/351438157.db2.gz YMBURXYBWQBZDP-CYBMUJFWSA-N 0 0 184.238 2.819 10 0 AFAERN S=c1[nH]ccc2ccsc12 34342819 351438627 /nfs/dbraw/zinc/43/86/27/351438627.db2.gz JHQICVSZKZQLFP-UHFFFAOYSA-N 0 0 167.258 2.959 10 0 AFAERN CC(C)C(=O)c1ccsc1 34370745 351439024 /nfs/dbraw/zinc/43/90/24/351439024.db2.gz RHKUMRZTWIUUSX-UHFFFAOYSA-N 0 0 154.234 2.587 10 0 AFAERN C[C@@H]1CC(=O)c2cc(F)ccc2S1 34363208 351439164 /nfs/dbraw/zinc/43/91/64/351439164.db2.gz BUDFJOGNLQQSNQ-ZCFIWIBFSA-N 0 0 196.246 2.893 10 0 AFAERN c1ccn(Cc2ccsc2)c1 34406875 351439911 /nfs/dbraw/zinc/43/99/11/351439911.db2.gz ZORCYYGZUMGYMU-UHFFFAOYSA-N 0 0 163.245 2.598 10 0 AFAERN CC(=O)OC/C=C/C1CCCCC1 34449591 351440486 /nfs/dbraw/zinc/44/04/86/351440486.db2.gz ISHIVMHODHNUTK-VMPITWQZSA-N 0 0 182.263 2.686 10 0 AFAERN C[C@H]1CCn2c1nc1ccccc12 34451247 351440520 /nfs/dbraw/zinc/44/05/20/351440520.db2.gz NIXFSRNVRFYCGB-QMMMGPOBSA-N 0 0 172.231 2.544 10 0 AFAERN COc1ccc([C@@H]2CC[C@@H](C)O2)cc1 34450255 351440663 /nfs/dbraw/zinc/44/06/63/351440663.db2.gz RICIIOLIUQUPAB-SKDRFNHKSA-N 0 0 192.258 2.935 10 0 AFAERN Cc1ccc(Cl)c(NC#N)c1 34448872 351440821 /nfs/dbraw/zinc/44/08/21/351440821.db2.gz LSQDXMVRTDFVHU-UHFFFAOYSA-N 0 0 166.611 2.541 10 0 AFAERN C[C@@H]1CCn2c1nc1ccccc12 34451244 351440851 /nfs/dbraw/zinc/44/08/51/351440851.db2.gz NIXFSRNVRFYCGB-MRVPVSSYSA-N 0 0 172.231 2.544 10 0 AFAERN C/C(=C\CO)CCc1ccccc1 34454598 351440837 /nfs/dbraw/zinc/44/08/37/351440837.db2.gz RWYNOPXFCUWVIZ-PKNBQFBNSA-N 0 0 176.259 2.558 10 0 AFAERN Cc1cc(Cc2ccccc2)cn1C 34449762 351440942 /nfs/dbraw/zinc/44/09/42/351440942.db2.gz APQVORFDDHAHSZ-UHFFFAOYSA-N 0 0 185.270 2.924 10 0 AFAERN C[C@H]1O[C@H]1c1nc2ccccc2s1 34451626 351440970 /nfs/dbraw/zinc/44/09/70/351440970.db2.gz WZAUCJNGCNVXIP-HZGVNTEJSA-N 0 0 191.255 2.756 10 0 AFAERN CCOc1ccc2[nH]c(C)cc2c1 34489862 351441300 /nfs/dbraw/zinc/44/13/00/351441300.db2.gz WUHIKCJBSKWNIC-UHFFFAOYSA-N 0 0 175.231 2.875 10 0 AFAERN c1cc2cc3c(cc2s1)OCO3 34497727 351441307 /nfs/dbraw/zinc/44/13/07/351441307.db2.gz FCYXZQGDTGMGOE-UHFFFAOYSA-N 0 0 178.212 2.630 10 0 AFAERN C[C@@H]1SCc2ccccc21 34566840 351442514 /nfs/dbraw/zinc/44/25/14/351442514.db2.gz PRYWFOZSSNQGMK-ZETCQYMHSA-N 0 0 150.246 2.994 10 0 AFAERN c1csc(-c2ccsc2)n1 34558224 351442582 /nfs/dbraw/zinc/44/25/82/351442582.db2.gz SUYQURQRVNTPNG-UHFFFAOYSA-N 0 0 167.258 2.872 10 0 AFAERN CC(C)=Cc1ccc(C=O)cc1 34588864 351443466 /nfs/dbraw/zinc/44/34/66/351443466.db2.gz GQNXCSYVMKYYAF-UHFFFAOYSA-N 0 0 160.216 2.922 10 0 AFAERN Oc1ccccc1OCc1ccco1 34962409 351446750 /nfs/dbraw/zinc/44/67/50/351446750.db2.gz CAWMWYOJQRVQAY-UHFFFAOYSA-N 0 0 190.198 2.564 10 0 AFAERN Oc1ccccc1OC1CCCC1 34962398 351446809 /nfs/dbraw/zinc/44/68/09/351446809.db2.gz XNBCPAOEBIGWDW-UHFFFAOYSA-N 0 0 178.231 2.714 10 0 AFAERN CC[C@@H](C)Nc1ccc(N)cc1C 34978346 351446898 /nfs/dbraw/zinc/44/68/98/351446898.db2.gz WECQLZMVKDHYIM-SECBINFHSA-N 0 0 178.279 2.788 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1cccs1 34976758 351446973 /nfs/dbraw/zinc/44/69/73/351446973.db2.gz ISUIRYNQUIVXOB-RNFRBKRXSA-N 0 0 166.245 2.587 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1cccs1 34976755 351446981 /nfs/dbraw/zinc/44/69/81/351446981.db2.gz ISUIRYNQUIVXOB-RQJHMYQMSA-N 0 0 166.245 2.587 10 0 AFAERN CC(C)CCn1cc[nH]c1=S 34964207 351447108 /nfs/dbraw/zinc/44/71/08/351447108.db2.gz YZNIFOAQPLTPSR-UHFFFAOYSA-N 0 0 170.281 2.592 10 0 AFAERN CC[C@@H](C)S[C@H]1CCCC1=O 35182693 351447534 /nfs/dbraw/zinc/44/75/34/351447534.db2.gz OJKMSGIBCTXFQQ-APPZFPTMSA-N 0 0 172.293 2.640 10 0 AFAERN c1ccc(NC[C@H]2CCCCO2)cc1 35150689 351447963 /nfs/dbraw/zinc/44/79/63/351447963.db2.gz NUAFULZXWAVICA-GFCCVEGCSA-N 0 0 191.274 2.668 10 0 AFAERN CC[C@@H](C)S[C@@H]1CCCC1=O 35182691 351448012 /nfs/dbraw/zinc/44/80/12/351448012.db2.gz OJKMSGIBCTXFQQ-VXNVDRBHSA-N 0 0 172.293 2.640 10 0 AFAERN c1ccn2c3c(nc2c1)CCCCC3 35015929 351448242 /nfs/dbraw/zinc/44/82/42/351448242.db2.gz ODAIMTLJHZTKEH-UHFFFAOYSA-N 0 0 186.258 2.603 10 0 AFAERN CC(C)CS[C@H]1CCCCC1=O 35183316 351448291 /nfs/dbraw/zinc/44/82/91/351448291.db2.gz HOGFVWCFKSYPSR-JTQLQIEISA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)CS[C@@H]1CCCCC1=O 35183315 351448343 /nfs/dbraw/zinc/44/83/43/351448343.db2.gz HOGFVWCFKSYPSR-SNVBAGLBSA-N 0 0 186.320 2.887 10 0 AFAERN CC[C@@H](C)Nc1ccc(N)c(C)c1 35277610 351449610 /nfs/dbraw/zinc/44/96/10/351449610.db2.gz CAJOTRQEKPROCY-SECBINFHSA-N 0 0 178.279 2.788 10 0 AFAERN CCSCc1cc(F)ccc1N 35308942 351449030 /nfs/dbraw/zinc/44/90/30/351449030.db2.gz FYZOGKLJRJYMSN-UHFFFAOYSA-N 0 0 185.267 2.661 10 0 AFAERN S=c1[nH]cc(Br)s1 35635582 351451851 /nfs/dbraw/zinc/45/18/51/351451851.db2.gz QWOUWEFHDPKPBJ-UHFFFAOYSA-N 0 0 196.094 2.568 10 0 AFAERN CC[C@@H](C)c1cccc2c1OCC2=O 35652505 351452263 /nfs/dbraw/zinc/45/22/63/351452263.db2.gz GLLDBQUEHZCHFS-MRVPVSSYSA-N 0 0 190.242 2.775 10 0 AFAERN C[C@@H](c1ccco1)n1cccc1 35739943 351452957 /nfs/dbraw/zinc/45/29/57/351452957.db2.gz YVERLWDUGCAKSI-VIFPVBQESA-N 0 0 161.204 2.690 10 0 AFAERN c1cc2sccc2c(NC2CC2)n1 35687677 351453186 /nfs/dbraw/zinc/45/31/86/351453186.db2.gz JOEPYBKBDFCJST-UHFFFAOYSA-N 0 0 190.271 2.871 10 0 AFAERN C[C@@H]1CSc2ccc(F)cc2C1=O 35757049 351453227 /nfs/dbraw/zinc/45/32/27/351453227.db2.gz LAGMECLELVXYEM-ZCFIWIBFSA-N 0 0 196.246 2.750 10 0 AFAERN C[C@@H](c1ccco1)n1cc[nH]c1=S 35739530 351453732 /nfs/dbraw/zinc/45/37/32/351453732.db2.gz SKEJBQLXLAQDKL-ZETCQYMHSA-N 0 0 194.259 2.748 10 0 AFAERN c1n[nH]cc1NC1CCCCCC1 35764054 351454547 /nfs/dbraw/zinc/45/45/47/351454547.db2.gz JUXDAEZSCHEJCP-UHFFFAOYSA-N 0 0 179.267 2.544 10 0 AFAERN c1n[nH]cc1NC1CCCCCCC1 35764051 351454601 /nfs/dbraw/zinc/45/46/01/351454601.db2.gz HWXXUAIKROEEPN-UHFFFAOYSA-N 0 0 193.294 2.935 10 0 AFAERN CC[C@@H](C)Nc1ncc(Cl)cc1N 36226201 351455841 /nfs/dbraw/zinc/45/58/41/351455841.db2.gz SNNHUBLEILCRFK-ZCFIWIBFSA-N 0 0 199.685 2.528 10 0 AFAERN c1csc([C@H]2CCCO2)c1 36419769 351456673 /nfs/dbraw/zinc/45/66/73/351456673.db2.gz SCOYNRVYGDDPQE-SSDOTTSWSA-N 0 0 154.234 2.600 10 0 AFAERN O=Cc1coc(/C=C/c2ccccc2)n1 36372869 351456817 /nfs/dbraw/zinc/45/68/17/351456817.db2.gz DIPCBOKEESSSLI-VOTSOKGWSA-N 0 0 199.209 2.658 10 0 AFAERN CC[C@@H](C)Nc1ccc(N(C)C)cc1 36335358 351456854 /nfs/dbraw/zinc/45/68/54/351456854.db2.gz UGXYINOQDDOOFQ-SNVBAGLBSA-N 0 0 192.306 2.963 10 0 AFAERN C[C@@H]1CCCC[C@@]1(O)c1ccco1 36459059 351457399 /nfs/dbraw/zinc/45/73/99/351457399.db2.gz IVQIAFCLNSZEFQ-KOLCDFICSA-N 0 0 180.247 2.677 10 0 AFAERN C[C@@H]1CCCC[C@]1(O)c1ccco1 36459057 351457459 /nfs/dbraw/zinc/45/74/59/351457459.db2.gz IVQIAFCLNSZEFQ-MWLCHTKSSA-N 0 0 180.247 2.677 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1c(C)n[nH]c1C 36734465 351458587 /nfs/dbraw/zinc/45/85/87/351458587.db2.gz DAXZPSGUIGJAMQ-SFYZADRCSA-N 0 0 195.310 2.873 10 0 AFAERN c1cc2cc(NCC3CC3)ccc2[nH]1 36882453 351459590 /nfs/dbraw/zinc/45/95/90/351459590.db2.gz WPVBMZIXVKNKIF-UHFFFAOYSA-N 0 0 186.258 2.990 10 0 AFAERN CC(C)=CCOc1ccccc1O 36896867 351460002 /nfs/dbraw/zinc/46/00/02/351460002.db2.gz YXUAHNWRAJLTJF-UHFFFAOYSA-N 0 0 178.231 2.737 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1ccccc1 36941641 351460840 /nfs/dbraw/zinc/46/08/40/351460840.db2.gz YDRZPZBBCXRSKB-PSASIEDQSA-N 0 0 160.216 2.525 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1cc(F)ccc1F 36940266 351460926 /nfs/dbraw/zinc/46/09/26/351460926.db2.gz SFEFFDRCXKJZRI-SVRRBLITSA-N 0 0 196.196 2.804 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1ccc(F)cc1F 36940664 351461023 /nfs/dbraw/zinc/46/10/23/351461023.db2.gz WLMGKOYXDBEYJA-HZGVNTEJSA-N 0 0 196.196 2.804 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1cc(F)ccc1F 36940270 351461051 /nfs/dbraw/zinc/46/10/51/351461051.db2.gz SFEFFDRCXKJZRI-HTRCEHHLSA-N 0 0 196.196 2.804 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1ccccc1 36941637 351461121 /nfs/dbraw/zinc/46/11/21/351461121.db2.gz YDRZPZBBCXRSKB-SCZZXKLOSA-N 0 0 160.216 2.525 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1ccc(F)cc1 36940577 351461344 /nfs/dbraw/zinc/46/13/44/351461344.db2.gz YOHJXBBXASAQHA-XCBNKYQSSA-N 0 0 178.206 2.664 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1ccc(F)cc1F 36940660 351461514 /nfs/dbraw/zinc/46/15/14/351461514.db2.gz WLMGKOYXDBEYJA-MUWHJKNJSA-N 0 0 196.196 2.804 10 0 AFAERN CC(C)CN(C)c1ccc(N)cc1F 37099055 351461998 /nfs/dbraw/zinc/46/19/98/351461998.db2.gz CYLFLHJPVWZSMA-UHFFFAOYSA-N 0 0 196.269 2.500 10 0 AFAERN CC[C@@H](C)Nc1ccccc1N(C)C 37086163 351462066 /nfs/dbraw/zinc/46/20/66/351462066.db2.gz MWGRSIPPYPCKQY-SNVBAGLBSA-N 0 0 192.306 2.963 10 0 AFAERN CC(C)CNc1cccc2c[nH]nc12 37100213 351462122 /nfs/dbraw/zinc/46/21/22/351462122.db2.gz GIFLTQXJXDFLRZ-UHFFFAOYSA-N 0 0 189.262 2.631 10 0 AFAERN CC[C@@H](C)Nc1ccc2n[nH]cc2c1 36989523 351462296 /nfs/dbraw/zinc/46/22/96/351462296.db2.gz JNMUURUPKROJAL-MRVPVSSYSA-N 0 0 189.262 2.773 10 0 AFAERN CC[C@@H](C)Nc1cccnc1Cl 36982805 351462328 /nfs/dbraw/zinc/46/23/28/351462328.db2.gz VXMPMKLAOPXXPE-SSDOTTSWSA-N 0 0 184.670 2.945 10 0 AFAERN CCSc1ccc(N)cc1C 36950316 351462542 /nfs/dbraw/zinc/46/25/42/351462542.db2.gz AOCFUQHZIIQBGF-UHFFFAOYSA-N 0 0 167.277 2.689 10 0 AFAERN CC[C@@H](C)N(C)c1cccc(N)c1 37109456 351463403 /nfs/dbraw/zinc/46/34/03/351463403.db2.gz HOPNVKDKSDZELA-SECBINFHSA-N 0 0 178.279 2.504 10 0 AFAERN c1cc2c(c3c1CCCC3)NCC2 37116744 351463572 /nfs/dbraw/zinc/46/35/72/351463572.db2.gz DRBYPARXYQPKKA-UHFFFAOYSA-N 0 0 173.259 2.533 10 0 AFAERN CC[C@@H](C)Nc1ccc(O)cc1 37132004 351463612 /nfs/dbraw/zinc/46/36/12/351463612.db2.gz DOZHZJYZGJFQEP-MRVPVSSYSA-N 0 0 165.236 2.603 10 0 AFAERN CC[C@@H](C)Nc1ccc2cn[nH]c2c1 37134298 351463638 /nfs/dbraw/zinc/46/36/38/351463638.db2.gz BQOZQHAKEFTYBJ-MRVPVSSYSA-N 0 0 189.262 2.773 10 0 AFAERN CC[C@@H](C)N(C)c1ccc(N)cc1F 37109458 351463699 /nfs/dbraw/zinc/46/36/99/351463699.db2.gz JAZKRKSBIQBKIR-MRVPVSSYSA-N 0 0 196.269 2.643 10 0 AFAERN CC[C@@H](C)N(C)c1ccc(C)cc1N 37109448 351463703 /nfs/dbraw/zinc/46/37/03/351463703.db2.gz DJRIFCKPPDFQQX-SNVBAGLBSA-N 0 0 192.306 2.812 10 0 AFAERN CC[C@@H](C)N(C)c1ccc(F)cc1N 37109466 351463705 /nfs/dbraw/zinc/46/37/05/351463705.db2.gz WWALYZHRTBPZSI-MRVPVSSYSA-N 0 0 196.269 2.643 10 0 AFAERN CC(C)=CCSc1ccc(N)nc1 37192706 351464457 /nfs/dbraw/zinc/46/44/57/351464457.db2.gz QDUORCOGVQYGBC-UHFFFAOYSA-N 0 0 194.303 2.722 10 0 AFAERN CC(C)C[C@@H](C)Nc1ccc(N)cn1 37264604 351465029 /nfs/dbraw/zinc/46/50/29/351465029.db2.gz KQFPOIUZUBLKFG-SECBINFHSA-N 0 0 193.294 2.510 10 0 AFAERN CC(C)C[C@H](C)Nc1ccc(N)cn1 37264605 351465221 /nfs/dbraw/zinc/46/52/21/351465221.db2.gz KQFPOIUZUBLKFG-VIFPVBQESA-N 0 0 193.294 2.510 10 0 AFAERN CC(C)C[C@@H](C)n1cn[nH]c1=S 37265242 351465261 /nfs/dbraw/zinc/46/52/61/351465261.db2.gz ZXEUOONREQUIKM-SSDOTTSWSA-N 0 0 185.296 2.548 10 0 AFAERN CC(C)C[C@@H](C)Nc1ncccc1N 37264596 351465367 /nfs/dbraw/zinc/46/53/67/351465367.db2.gz GLUYAXCYYWZZSJ-SECBINFHSA-N 0 0 193.294 2.510 10 0 AFAERN C[C@@H]1CCC[C@@H](n2cn[nH]c2=S)C1 37256432 351465490 /nfs/dbraw/zinc/46/54/90/351465490.db2.gz ODZLHDXBHPLDOR-HTQZYQBOSA-N 0 0 197.307 2.692 10 0 AFAERN C[C@@H]1CCC[C@H](n2cn[nH]c2=S)C1 37256428 351465551 /nfs/dbraw/zinc/46/55/51/351465551.db2.gz ODZLHDXBHPLDOR-SFYZADRCSA-N 0 0 197.307 2.692 10 0 AFAERN S=c1[nH]ncn1CC1CCCCC1 37259922 351465617 /nfs/dbraw/zinc/46/56/17/351465617.db2.gz SOCDXKBAUHKEMD-UHFFFAOYSA-N 0 0 197.307 2.521 10 0 AFAERN CC(C)C[C@H](C)Nc1ncccc1N 37264597 351465885 /nfs/dbraw/zinc/46/58/85/351465885.db2.gz GLUYAXCYYWZZSJ-VIFPVBQESA-N 0 0 193.294 2.510 10 0 AFAERN C[C@@H]1C[C@H]1c1nc2ccccc2[nH]1 37387783 351466408 /nfs/dbraw/zinc/46/64/08/351466408.db2.gz JKAYZQKVTOYMLW-HTQZYQBOSA-N 0 0 172.231 2.686 10 0 AFAERN CC(C)CC1(O)CCC(C)CC1 37375526 351466436 /nfs/dbraw/zinc/46/64/36/351466436.db2.gz RKLIOYQARWZYDR-UHFFFAOYSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@@]1(O)CCc2ccccc21 37376176 351466658 /nfs/dbraw/zinc/46/66/58/351466658.db2.gz XPAPGMZPPYTFPI-ZDUSSCGKSA-N 0 0 190.286 2.867 10 0 AFAERN CC(C)C[C@@](C)(O)c1ccccc1 37379188 351466841 /nfs/dbraw/zinc/46/68/41/351466841.db2.gz QLRNCRSMBZMVRQ-GFCCVEGCSA-N 0 0 178.275 2.940 10 0 AFAERN C[C@@H]1C[C@@H]1c1nc2ccccc2[nH]1 37387780 351466889 /nfs/dbraw/zinc/46/68/89/351466889.db2.gz JKAYZQKVTOYMLW-SFYZADRCSA-N 0 0 172.231 2.686 10 0 AFAERN CC(C)CC1(O)Cc2ccccc2C1 37376208 351466940 /nfs/dbraw/zinc/46/69/40/351466940.db2.gz ZZTAZITUTIZYTG-UHFFFAOYSA-N 0 0 190.286 2.562 10 0 AFAERN CC[C@@H](C)Nc1cccc(F)c1N 37419139 351467581 /nfs/dbraw/zinc/46/75/81/351467581.db2.gz UZHNSLCMELOBPZ-SSDOTTSWSA-N 0 0 182.242 2.618 10 0 AFAERN S=c1[nH]ncn1C1CCCCCC1 37390384 351467595 /nfs/dbraw/zinc/46/75/95/351467595.db2.gz ZIJRASPNBOMEJP-UHFFFAOYSA-N 0 0 197.307 2.836 10 0 AFAERN C[C@@](O)(Cc1cccc(F)c1)C1CC1 37463701 351467709 /nfs/dbraw/zinc/46/77/09/351467709.db2.gz SEUJZLQDLAUBES-GFCCVEGCSA-N 0 0 194.249 2.529 10 0 AFAERN OCc1cc2c(s1)CCCCC2 37405162 351467742 /nfs/dbraw/zinc/46/77/42/351467742.db2.gz XMQTZNZCAOBVSE-UHFFFAOYSA-N 0 0 182.288 2.509 10 0 AFAERN CC[C@@H](C)N(C)c1cccc(F)c1N 37419565 351467770 /nfs/dbraw/zinc/46/77/70/351467770.db2.gz SVWOKJGLKMORIW-MRVPVSSYSA-N 0 0 196.269 2.643 10 0 AFAERN CCSc1ccc(C)cc1N 37401717 351467823 /nfs/dbraw/zinc/46/78/23/351467823.db2.gz KGBXLLWKOKBCGL-UHFFFAOYSA-N 0 0 167.277 2.689 10 0 AFAERN CC(C)C[C@@H](O)c1cccc(F)c1 37464455 351467885 /nfs/dbraw/zinc/46/78/85/351467885.db2.gz JYWBEIFXUCTEBZ-LLVKDONJSA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)CN(C)c1cccc(F)c1N 37419563 351467989 /nfs/dbraw/zinc/46/79/89/351467989.db2.gz WVMYBKRLYJMCOI-UHFFFAOYSA-N 0 0 196.269 2.500 10 0 AFAERN C[C@@](O)(Cc1ccccc1F)C1CC1 37463686 351468023 /nfs/dbraw/zinc/46/80/23/351468023.db2.gz JXKLPYVXHVOBSK-GFCCVEGCSA-N 0 0 194.249 2.529 10 0 AFAERN CC(C)C[C@H](O)c1ccsc1 37464902 351468035 /nfs/dbraw/zinc/46/80/35/351468035.db2.gz YKZXWZJBCHWIJA-VIFPVBQESA-N 0 0 170.277 2.828 10 0 AFAERN CC(C)C[C@H](O)c1cccc(F)c1 37464453 351468086 /nfs/dbraw/zinc/46/80/86/351468086.db2.gz JYWBEIFXUCTEBZ-NSHDSACASA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)C[C@@H](O)c1ccsc1 37464904 351468091 /nfs/dbraw/zinc/46/80/91/351468091.db2.gz YKZXWZJBCHWIJA-SECBINFHSA-N 0 0 170.277 2.828 10 0 AFAERN CC(C)CC(=O)c1ccsc1 37464052 351468115 /nfs/dbraw/zinc/46/81/15/351468115.db2.gz FOHZJBNWFZFWKX-UHFFFAOYSA-N 0 0 168.261 2.977 10 0 AFAERN CC(C)C[C@H](O)C1CCCC1 37465287 351469120 /nfs/dbraw/zinc/46/91/20/351469120.db2.gz PAEDQPHCSMDORX-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@@H](O)C1CCCC1 37465289 351469145 /nfs/dbraw/zinc/46/91/45/351469145.db2.gz PAEDQPHCSMDORX-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CCSc1cc(N)cc(F)c1 37668171 351470600 /nfs/dbraw/zinc/47/06/00/351470600.db2.gz LBOALRUQHYUORS-UHFFFAOYSA-N 0 0 171.240 2.520 10 0 AFAERN O=Cc1cc2cccc(Cl)c2[nH]1 37632885 351470783 /nfs/dbraw/zinc/47/07/83/351470783.db2.gz UTDUWOCDGAGDFD-UHFFFAOYSA-N 0 0 179.606 2.634 10 0 AFAERN CC[C@@H](C)Nc1cccc(C)n1 37670481 351471057 /nfs/dbraw/zinc/47/10/57/351471057.db2.gz HOTJMOOFPXVTKX-MRVPVSSYSA-N 0 0 164.252 2.600 10 0 AFAERN CC[C@@H](C)Nc1cc(N)cc(F)c1 37666660 351471118 /nfs/dbraw/zinc/47/11/18/351471118.db2.gz FVOYNDXHBMFREC-SSDOTTSWSA-N 0 0 182.242 2.618 10 0 AFAERN Oc1ccccc1Oc1nccs1 37674566 351471123 /nfs/dbraw/zinc/47/11/23/351471123.db2.gz GIWKPEGHHAUXAN-UHFFFAOYSA-N 0 0 193.227 2.641 10 0 AFAERN C[C@@H]1Cc2ccccc2S1 37625826 351471325 /nfs/dbraw/zinc/47/13/25/351471325.db2.gz ZEAQOIXHQBWPOW-SSDOTTSWSA-N 0 0 150.246 2.723 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)C1CCCC1 37745628 351472997 /nfs/dbraw/zinc/47/29/97/351472997.db2.gz QDIQWQKMKNPHGY-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)c1ccccc1 37745636 351473021 /nfs/dbraw/zinc/47/30/21/351473021.db2.gz JJYZAAGVSUZICR-ZYHUDNBSSA-N 0 0 178.275 2.940 10 0 AFAERN CC[C@@H](C)[C@](C)(O)c1ccccc1 37745634 351473032 /nfs/dbraw/zinc/47/30/32/351473032.db2.gz JJYZAAGVSUZICR-PWSUYJOCSA-N 0 0 178.275 2.940 10 0 AFAERN OC1(c2cccnc2)CCCCCC1 37761230 351473878 /nfs/dbraw/zinc/47/38/78/351473878.db2.gz GDGNSEABIOWBSC-UHFFFAOYSA-N 0 0 191.274 2.623 10 0 AFAERN Oc1ccc(SC(F)F)cc1 37991775 351476608 /nfs/dbraw/zinc/47/66/08/351476608.db2.gz JSTZCMUCBJDKJS-UHFFFAOYSA-N 0 0 176.187 2.707 10 0 AFAERN OCc1cc(-c2ccccc2)cs1 38030868 351478152 /nfs/dbraw/zinc/47/81/52/351478152.db2.gz WRLZHGOGSQLXCG-UHFFFAOYSA-N 0 0 190.267 2.907 10 0 AFAERN CCSc1c(F)cc(N)cc1F 38040429 351478478 /nfs/dbraw/zinc/47/84/78/351478478.db2.gz SWDWUCKDAOZOCS-UHFFFAOYSA-N 0 0 189.230 2.659 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccccc1F 38126815 351478846 /nfs/dbraw/zinc/47/88/46/351478846.db2.gz TUWAOFCXDBRPDE-SCZZXKLOSA-N 0 0 192.233 2.593 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)Cc1cccs1 38126082 351479571 /nfs/dbraw/zinc/47/95/71/351479571.db2.gz FDJGTLKURVGCSM-VXNVDRBHSA-N 0 0 180.272 2.516 10 0 AFAERN O[C@H](C1=CCCC1)c1cccs1 38234539 351479873 /nfs/dbraw/zinc/47/98/73/351479873.db2.gz ZYYPTPIWBRZZFN-SNVBAGLBSA-N 0 0 180.272 2.892 10 0 AFAERN CC[C@@H](C)c1cccc(C)n1 38292456 351480128 /nfs/dbraw/zinc/48/01/28/351480128.db2.gz GGBPAKMVBXFOAD-MRVPVSSYSA-N 0 0 149.237 2.904 10 0 AFAERN O[C@H](Cc1ccccc1)c1ccoc1 38258581 351480338 /nfs/dbraw/zinc/48/03/38/351480338.db2.gz LNVSANRCUATGPR-GFCCVEGCSA-N 0 0 188.226 2.556 10 0 AFAERN O[C@@H](Cc1ccccc1)c1ccoc1 38258579 351480503 /nfs/dbraw/zinc/48/05/03/351480503.db2.gz LNVSANRCUATGPR-LBPRGKRZSA-N 0 0 188.226 2.556 10 0 AFAERN C[C@@H]1Cc2c(Cl)cccc2[C@@H]1O 38312442 351480987 /nfs/dbraw/zinc/48/09/87/351480987.db2.gz LEUQQJLHGVCNQW-LHLIQPBNSA-N 0 0 182.650 2.566 10 0 AFAERN OCCCc1ccc2ccccc2c1 38363412 351480995 /nfs/dbraw/zinc/48/09/95/351480995.db2.gz HMVMFGNKDHVMJV-UHFFFAOYSA-N 0 0 186.254 2.765 10 0 AFAERN C[C@@H]1Cc2c(Cl)cccc2[C@H]1O 38312446 351481084 /nfs/dbraw/zinc/48/10/84/351481084.db2.gz LEUQQJLHGVCNQW-LDWIPMOCSA-N 0 0 182.650 2.566 10 0 AFAERN CC[C@@H](C)C/C=C/C(C)(C)O 38636100 351483008 /nfs/dbraw/zinc/48/30/08/351483008.db2.gz MPNPHWUUIRXMIS-BNICOGTQSA-N 0 0 156.269 2.750 10 0 AFAERN C[C@@H](c1ccccc1)[C@H]1CO[C@@H](C)O1 38636400 351483388 /nfs/dbraw/zinc/48/33/88/351483388.db2.gz UJOYYIGQEPKOBI-HOSYDEDBSA-N 0 0 192.258 2.552 10 0 AFAERN O=Cc1cc2c(F)ccc(F)c2o1 38950048 351484132 /nfs/dbraw/zinc/48/41/32/351484132.db2.gz NOKVSPBIUHWUDK-UHFFFAOYSA-N 0 0 182.125 2.524 10 0 AFAERN c1cc2c3c(coc3c1)CCC2 38890001 351484365 /nfs/dbraw/zinc/48/43/65/351484365.db2.gz RYMBYODOAYKSSZ-UHFFFAOYSA-N 0 0 158.200 2.922 10 0 AFAERN CC(C)=Cc1cncc(C)c1 39051876 351485753 /nfs/dbraw/zinc/48/57/53/351485753.db2.gz ORWYDLYKSUAGFV-UHFFFAOYSA-N 0 0 147.221 2.813 10 0 AFAERN CC(C)=Cc1cccnc1C 39051881 351486064 /nfs/dbraw/zinc/48/60/64/351486064.db2.gz MELKDFPYXHTFOL-UHFFFAOYSA-N 0 0 147.221 2.813 10 0 AFAERN CC(C)=Cc1cnccc1C 39051878 351486042 /nfs/dbraw/zinc/48/60/42/351486042.db2.gz ZFRAFGDYNFRVDY-UHFFFAOYSA-N 0 0 147.221 2.813 10 0 AFAERN CC(C)=Cc1cccc(C=O)c1 39060570 351486999 /nfs/dbraw/zinc/48/69/99/351486999.db2.gz XZWNNQZDBVICDB-UHFFFAOYSA-N 0 0 160.216 2.922 10 0 AFAERN O=Nc1ccc(N=O)c(F)c1 39088603 351490367 /nfs/dbraw/zinc/49/03/67/351490367.db2.gz OCCUPROJVUMGLZ-UHFFFAOYSA-N 0 0 154.100 2.622 10 0 AFAERN c1ccc2c(c1)oc1oncc12 39113052 351491096 /nfs/dbraw/zinc/49/10/96/351491096.db2.gz AGSFSRDWQNWBKR-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN CC(C)C1=Nc2ccccc2CO1 39104839 351491214 /nfs/dbraw/zinc/49/12/14/351491214.db2.gz KIBIEJAPAHTUCY-UHFFFAOYSA-N 0 0 175.231 2.903 10 0 AFAERN c1cc2ccc(c1)c1o[nH]cc21 39112989 351491276 /nfs/dbraw/zinc/49/12/76/351491276.db2.gz PEMFWSRGJVQFJJ-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN C[C@@H]1CC[C@@H](Oc2ccc(O)cc2)C1 39112202 351491392 /nfs/dbraw/zinc/49/13/92/351491392.db2.gz IMCAYXFRKBPIOH-BXKDBHETSA-N 0 0 192.258 2.960 10 0 AFAERN C[C@@H]1CC[C@H](Oc2ccc(O)cc2)C1 39112199 351491446 /nfs/dbraw/zinc/49/14/46/351491446.db2.gz IMCAYXFRKBPIOH-SKDRFNHKSA-N 0 0 192.258 2.960 10 0 AFAERN CC(C)C1=N[C@H](C(C)C)CS1 39104491 351491579 /nfs/dbraw/zinc/49/15/79/351491579.db2.gz YWOPHNXCVVZHMG-QMMMGPOBSA-N 0 0 171.309 2.812 10 0 AFAERN c1cccc2c[nH]oc-2ccc1 39113043 351491621 /nfs/dbraw/zinc/49/16/21/351491621.db2.gz SIGSHFLWZQBCRL-UHFFFAOYSA-N 0 0 159.188 2.837 10 0 AFAERN c1cc2cc3co[nH]c3cc2c1 39112992 351491678 /nfs/dbraw/zinc/49/16/78/351491678.db2.gz USCLZCNSVAMZRL-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN c1ccc2c(c1)oc1conc12 39113059 351492225 /nfs/dbraw/zinc/49/22/25/351492225.db2.gz QDVLLWHENVKYMZ-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN c1ccc2c(c1)oc1cnoc12 39113056 351492318 /nfs/dbraw/zinc/49/23/18/351492318.db2.gz ZZNYIXMOBQHWEG-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN C[C@@H]1CCCCCc2cnoc21 39113184 351492710 /nfs/dbraw/zinc/49/27/10/351492710.db2.gz UCARUKRTVHVXNT-MRVPVSSYSA-N 0 0 165.236 2.895 10 0 AFAERN c1cncc([C@@H]2Cc3ccccc3O2)c1 39120872 351493211 /nfs/dbraw/zinc/49/32/11/351493211.db2.gz NFGDFTRFJSFBLN-ZDUSSCGKSA-N 0 0 197.237 2.758 10 0 AFAERN c1ccc2c(c1)C[C@@H](c1ccncc1)O2 39120836 351493382 /nfs/dbraw/zinc/49/33/82/351493382.db2.gz BOCULKJOFCPXHF-ZDUSSCGKSA-N 0 0 197.237 2.758 10 0 AFAERN CCOc1ccc2ccncc2c1 39119734 351493461 /nfs/dbraw/zinc/49/34/61/351493461.db2.gz AVWBUWQADOQHIZ-UHFFFAOYSA-N 0 0 173.215 2.634 10 0 AFAERN CCOc1ccc2cnccc2c1 39119748 351493703 /nfs/dbraw/zinc/49/37/03/351493703.db2.gz IGGGWGBPSWUADK-UHFFFAOYSA-N 0 0 173.215 2.634 10 0 AFAERN CC[C@@H](C)Sc1cccc(OC)n1 39117116 351493760 /nfs/dbraw/zinc/49/37/60/351493760.db2.gz VZZMEXGGNQWYDZ-MRVPVSSYSA-N 0 0 197.303 2.981 10 0 AFAERN c1ccc(S[C@@H]2CCCCO2)nc1 39116755 351493770 /nfs/dbraw/zinc/49/37/70/351493770.db2.gz QNWBDPGSAXVPDV-SNVBAGLBSA-N 0 0 195.287 2.700 10 0 AFAERN c1cncc([C@H]2Cc3ccccc3O2)c1 39120870 351493845 /nfs/dbraw/zinc/49/38/45/351493845.db2.gz NFGDFTRFJSFBLN-CYBMUJFWSA-N 0 0 197.237 2.758 10 0 AFAERN CC(C)CC(=O)Sc1ccccn1 39116760 351493877 /nfs/dbraw/zinc/49/38/77/351493877.db2.gz QBCAXARDGCBUST-UHFFFAOYSA-N 0 0 195.287 2.746 10 0 AFAERN O=Cc1ccc(-c2ccccc2)c(O)c1 39119048 351493900 /nfs/dbraw/zinc/49/39/00/351493900.db2.gz CMAGWBBFEQNINS-UHFFFAOYSA-N 0 0 198.221 2.872 10 0 AFAERN C[C@@H](c1ccccc1)c1ncc[nH]1 39132549 351494593 /nfs/dbraw/zinc/49/45/93/351494593.db2.gz UVGQZKHVWWVSGS-VIFPVBQESA-N 0 0 172.231 2.562 10 0 AFAERN c1cc2cc3c(cc2o1)CCC3 39136291 351495556 /nfs/dbraw/zinc/49/55/56/351495556.db2.gz VXOODQJGZOGZHV-UHFFFAOYSA-N 0 0 158.200 2.922 10 0 AFAERN c1ccc2nc(C3CC3)cnc2c1 39134328 351495611 /nfs/dbraw/zinc/49/56/11/351495611.db2.gz RDVLTQFWTYTNTP-UHFFFAOYSA-N 0 0 170.215 2.507 10 0 AFAERN c1cc2cc3c[nH]cc3cc2o1 39136330 351496016 /nfs/dbraw/zinc/49/60/16/351496016.db2.gz PSEBTXFRSGUBFH-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN C[C@@H]1Cc2ccccc2C(=O)[C@@H]1C 39189464 351496452 /nfs/dbraw/zinc/49/64/52/351496452.db2.gz GFWOOXMVWBKCAF-RKDXNWHRSA-N 0 0 174.243 2.698 10 0 AFAERN CCOc1cc2ccccc2o1 39136440 351496675 /nfs/dbraw/zinc/49/66/75/351496675.db2.gz OAZBUFPEEVRVEX-UHFFFAOYSA-N 0 0 162.188 2.832 10 0 AFAERN C[C@@H]1C(=O)c2ccccc2C[C@H]1C 39189467 351496691 /nfs/dbraw/zinc/49/66/91/351496691.db2.gz GFWOOXMVWBKCAF-BDAKNGLRSA-N 0 0 174.243 2.698 10 0 AFAERN C[C@@H]1CC(=O)c2c(F)ccc(F)c21 39222158 351498213 /nfs/dbraw/zinc/49/82/13/351498213.db2.gz VPUZXEGGNFLNNF-RXMQYKEDSA-N 0 0 182.169 2.655 10 0 AFAERN CCOc1ccccc1CC 39220479 351498262 /nfs/dbraw/zinc/49/82/62/351498262.db2.gz OSMLONWXLNJOPG-UHFFFAOYSA-N 0 0 150.221 2.648 10 0 AFAERN CCOP1Oc2ccccc2O1 39237282 351498903 /nfs/dbraw/zinc/49/89/03/351498903.db2.gz DAQVNQRAUIJSHT-UHFFFAOYSA-N 0 0 184.131 2.721 10 0 AFAERN c1ccc(-c2[nH]nc3ncccc23)cc1 39223491 351498960 /nfs/dbraw/zinc/49/89/60/351498960.db2.gz ZDWDFOFAMBLKGN-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN OC1(c2ccsc2)CCCCC1 39258821 351499790 /nfs/dbraw/zinc/49/97/90/351499790.db2.gz RQCHFOQKJOZMGB-UHFFFAOYSA-N 0 0 182.288 2.900 10 0 AFAERN c1cc(-c2ccc3[nH]cnc3c2)ccn1 39316616 351501006 /nfs/dbraw/zinc/50/10/06/351501006.db2.gz ODIOPSFRIVOBSC-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1csc(-c2cscn2)c1 39331972 351501228 /nfs/dbraw/zinc/50/12/28/351501228.db2.gz YXGBCQGWEUFUID-UHFFFAOYSA-N 0 0 167.258 2.872 10 0 AFAERN OCC1(c2ccc(Cl)cc2)CCC1 39391189 351502489 /nfs/dbraw/zinc/50/24/89/351502489.db2.gz TYJYYNPUIKWSOP-UHFFFAOYSA-N 0 0 196.677 2.754 10 0 AFAERN O=Cc1ccc2cccc(F)c2c1 39646339 351503077 /nfs/dbraw/zinc/50/30/77/351503077.db2.gz YRQJQFVRVLFGKN-UHFFFAOYSA-N 0 0 174.174 2.791 10 0 AFAERN CC[C@@H](C)[C@@H]1CCCC(=O)C1 39427126 351503086 /nfs/dbraw/zinc/50/30/86/351503086.db2.gz KRFDJNKVXNRNKR-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1C(=O)c2ccccc2[C@H]1C 39472260 351503114 /nfs/dbraw/zinc/50/31/14/351503114.db2.gz KLNAGKGNWQUMFR-YUMQZZPRSA-N 0 0 160.216 2.623 10 0 AFAERN C[C@@H]1C(=O)c2ccccc2[C@@H]1C 39472261 351503238 /nfs/dbraw/zinc/50/32/38/351503238.db2.gz KLNAGKGNWQUMFR-SFYZADRCSA-N 0 0 160.216 2.623 10 0 AFAERN C[C@@H]1c2ccccc2C(=O)[C@@H]1C 39472258 351503391 /nfs/dbraw/zinc/50/33/91/351503391.db2.gz KLNAGKGNWQUMFR-JGVFFNPUSA-N 0 0 160.216 2.623 10 0 AFAERN CC[C@@H](C)[C@H]1CCCC(=O)C1 39427130 351503601 /nfs/dbraw/zinc/50/36/01/351503601.db2.gz KRFDJNKVXNRNKR-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN O[C@H](CC(F)(F)F)c1cccs1 40247603 351505404 /nfs/dbraw/zinc/50/54/04/351505404.db2.gz JOOAASNCVYQQKM-RXMQYKEDSA-N 0 0 196.193 2.734 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ccc(F)cc1 40243665 351505422 /nfs/dbraw/zinc/50/54/22/351505422.db2.gz MIFBTQVTWNZOOI-LDYMZIIASA-N 0 0 182.238 2.905 10 0 AFAERN O[C@H](c1ccc(F)cc1F)C1CCC1 40249045 351505498 /nfs/dbraw/zinc/50/54/98/351505498.db2.gz BMSWGMYKKRKLRT-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ccc(F)cc1 40243663 351505606 /nfs/dbraw/zinc/50/56/06/351505606.db2.gz MIFBTQVTWNZOOI-KCJUWKMLSA-N 0 0 182.238 2.905 10 0 AFAERN O[C@@H](c1ccc(F)cc1)c1ccoc1 40243795 351505653 /nfs/dbraw/zinc/50/56/53/351505653.db2.gz IFGFWZMNSUIGAF-NSHDSACASA-N 0 0 192.189 2.500 10 0 AFAERN O[C@@H](c1ccc(F)cc1F)C1CCC1 40249044 351505660 /nfs/dbraw/zinc/50/56/60/351505660.db2.gz BMSWGMYKKRKLRT-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN c1coc(Cn2cnc3ccccc32)c1 40390237 351507058 /nfs/dbraw/zinc/50/70/58/351507058.db2.gz FDLRJNFKRSTQRJ-UHFFFAOYSA-N 0 0 198.225 2.678 10 0 AFAERN O=Cc1[nH]c2ccc(F)cc2c1Cl 40538166 351508109 /nfs/dbraw/zinc/50/81/09/351508109.db2.gz YQBRPSCDRBZTOJ-UHFFFAOYSA-N 0 0 197.596 2.773 10 0 AFAERN c1cc(NC2CCCCCC2)ncn1 40863043 351511901 /nfs/dbraw/zinc/51/19/01/351511901.db2.gz KEFVHOFNTGETHB-UHFFFAOYSA-N 0 0 191.278 2.611 10 0 AFAERN C[C@@H]1C[C@@H]1c1nnc(C2CCCC2)[nH]1 41057835 351516289 /nfs/dbraw/zinc/51/62/89/351516289.db2.gz WQCBPOUKYVGZNM-APPZFPTMSA-N 0 0 191.278 2.586 10 0 AFAERN C[C@@H]1C[C@H]1c1nnc(C2CCCC2)[nH]1 41057839 351516358 /nfs/dbraw/zinc/51/63/58/351516358.db2.gz WQCBPOUKYVGZNM-VXNVDRBHSA-N 0 0 191.278 2.586 10 0 AFAERN CC(C)C[C@H](O)c1ccccc1F 41202036 351517117 /nfs/dbraw/zinc/51/71/17/351517117.db2.gz WPEOUDYBSORWKK-NSHDSACASA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)C[C@@H](O)c1ccccc1F 41202039 351517708 /nfs/dbraw/zinc/51/77/08/351517708.db2.gz WPEOUDYBSORWKK-LLVKDONJSA-N 0 0 182.238 2.905 10 0 AFAERN CCSCCNc1ccccc1 41580161 351518216 /nfs/dbraw/zinc/51/82/16/351518216.db2.gz PNXWVVWNKJLFFA-UHFFFAOYSA-N 0 0 181.304 2.852 10 0 AFAERN CC[C@@H](C)n1ccc2c1CCCC2=O 41705045 351518271 /nfs/dbraw/zinc/51/82/71/351518271.db2.gz LUTJDBHEVHOEHM-SECBINFHSA-N 0 0 191.274 2.978 10 0 AFAERN CC[C@@H](C(=O)OC)c1ccc(C)cc1 41205895 351518730 /nfs/dbraw/zinc/51/87/30/351518730.db2.gz BXQUQDMWOCNVQF-LLVKDONJSA-N 0 0 192.258 2.662 10 0 AFAERN O[C@H](c1ccco1)c1ccccc1F 41205808 351518852 /nfs/dbraw/zinc/51/88/52/351518852.db2.gz KZVRYKACUNLNRC-NSHDSACASA-N 0 0 192.189 2.500 10 0 AFAERN CCSc1nc2cc(N)ccc2o1 42294591 351521400 /nfs/dbraw/zinc/52/14/00/351521400.db2.gz XVESEORQVOWKAU-UHFFFAOYSA-N 0 0 194.259 2.522 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1ccc(N)nc1 42552214 351523066 /nfs/dbraw/zinc/52/30/66/351523066.db2.gz ZUDZSYGMCHHGFS-RKDXNWHRSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1ccc(N)nc1 42552219 351523923 /nfs/dbraw/zinc/52/39/23/351523923.db2.gz ZUDZSYGMCHHGFS-BDAKNGLRSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1ccc(N)cn1 42552734 351524141 /nfs/dbraw/zinc/52/41/41/351524141.db2.gz DNMKJZJWHUBOMJ-RKDXNWHRSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1ccc(N)cn1 42552740 351524519 /nfs/dbraw/zinc/52/45/19/351524519.db2.gz DNMKJZJWHUBOMJ-BDAKNGLRSA-N 0 0 193.294 2.510 10 0 AFAERN CCOc1cccc2[nH]c(Cl)nc12 43160242 351525956 /nfs/dbraw/zinc/52/59/56/351525956.db2.gz LGQVZFIQJDIOOA-UHFFFAOYSA-N 0 0 196.637 2.615 10 0 AFAERN c1ccc2c(c1)CCC[C@H]2c1c[nH]cn1 43168727 351526000 /nfs/dbraw/zinc/52/60/00/351526000.db2.gz LCQUJXODSUQFBV-GFCCVEGCSA-N 0 0 198.269 2.878 10 0 AFAERN c1ccc2c(c1)CCC[C@@H]2c1c[nH]cn1 43168725 351526669 /nfs/dbraw/zinc/52/66/69/351526669.db2.gz LCQUJXODSUQFBV-LBPRGKRZSA-N 0 0 198.269 2.878 10 0 AFAERN CC[C@H](C)Oc1ccc(N)c(F)c1 43472402 351528605 /nfs/dbraw/zinc/52/86/05/351528605.db2.gz QETLZRZATPHSNO-ZETCQYMHSA-N 0 0 183.226 2.585 10 0 AFAERN CC[C@@H](C)Oc1ccc(N)c(F)c1 43472401 351528625 /nfs/dbraw/zinc/52/86/25/351528625.db2.gz QETLZRZATPHSNO-SSDOTTSWSA-N 0 0 183.226 2.585 10 0 AFAERN CC[C@@H](C)C(=O)c1ccco1 43606595 351531876 /nfs/dbraw/zinc/53/18/76/351531876.db2.gz XJCKRYXXPUXMBU-SSDOTTSWSA-N 0 0 152.193 2.508 10 0 AFAERN CC[C@@H](C)Sc1cc(N)ccn1 43569699 351532487 /nfs/dbraw/zinc/53/24/87/351532487.db2.gz ADYXXYCZQDWUKT-SSDOTTSWSA-N 0 0 182.292 2.554 10 0 AFAERN CC(C)C[C@H]1Cc2ccccc2[C@@H]1O 43659134 351532913 /nfs/dbraw/zinc/53/29/13/351532913.db2.gz SMAKKQQGKRMPFJ-WCQYABFASA-N 0 0 190.286 2.938 10 0 AFAERN O[C@@H]1CCC[C@@H]1Cc1ccccc1F 43655926 351533150 /nfs/dbraw/zinc/53/31/50/351533150.db2.gz INHWELAEPJJTHC-ZYHUDNBSSA-N 0 0 194.249 2.529 10 0 AFAERN C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O 43661227 351533305 /nfs/dbraw/zinc/53/33/05/351533305.db2.gz RAHOWIIWWZHXET-UTLUCORTSA-N 0 0 170.296 2.830 10 0 AFAERN O[C@H]1CCC[C@H]1Cc1ccccc1F 43655920 351533362 /nfs/dbraw/zinc/53/33/62/351533362.db2.gz INHWELAEPJJTHC-JQWIXIFHSA-N 0 0 194.249 2.529 10 0 AFAERN CC(C)C[C@@H]1Cc2ccccc2[C@H]1O 43659135 351533367 /nfs/dbraw/zinc/53/33/67/351533367.db2.gz SMAKKQQGKRMPFJ-YPMHNXCESA-N 0 0 190.286 2.938 10 0 AFAERN O[C@H]1CCC[C@@H]1Cc1ccccc1F 43655922 351533425 /nfs/dbraw/zinc/53/34/25/351533425.db2.gz INHWELAEPJJTHC-PWSUYJOCSA-N 0 0 194.249 2.529 10 0 AFAERN CC(C)C[C@@H]1Cc2ccccc2[C@@H]1O 43659133 351533622 /nfs/dbraw/zinc/53/36/22/351533622.db2.gz SMAKKQQGKRMPFJ-DGCLKSJQSA-N 0 0 190.286 2.938 10 0 AFAERN O[C@@H]1CCC[C@H]1Cc1ccccc1F 43655924 351533706 /nfs/dbraw/zinc/53/37/06/351533706.db2.gz INHWELAEPJJTHC-CMPLNLGQSA-N 0 0 194.249 2.529 10 0 AFAERN O=C1CSC(c2cccc(F)c2)=N1 44119651 351535323 /nfs/dbraw/zinc/53/53/23/351535323.db2.gz AUOKZAFCKDYLHJ-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN O=C1CSC(c2ccccc2F)=N1 44119822 351535371 /nfs/dbraw/zinc/53/53/71/351535371.db2.gz BVWUAQWPNQAYDV-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN O=C1CSC(C2CCCC2)=N1 44118831 351535437 /nfs/dbraw/zinc/53/54/37/351535437.db2.gz DRRDCVDBDFDJBS-UHFFFAOYSA-N 0 0 169.249 2.506 10 0 AFAERN O=C1CSC(c2ccsc2)=N1 44118985 351535513 /nfs/dbraw/zinc/53/55/13/351535513.db2.gz QOEFQQXGAAQVNG-UHFFFAOYSA-N 0 0 183.257 2.577 10 0 AFAERN O=C1CSC(C2CCCCC2)=N1 44118856 351535609 /nfs/dbraw/zinc/53/56/09/351535609.db2.gz YNMKDORXNCERQC-UHFFFAOYSA-N 0 0 183.276 2.896 10 0 AFAERN O=C1CN=C(C2=CCCCC2)S1 44121578 351535642 /nfs/dbraw/zinc/53/56/42/351535642.db2.gz HVZWWSZRFRZZEQ-UHFFFAOYSA-N 0 0 181.260 2.806 10 0 AFAERN O=C1CN=C(c2ccccc2F)S1 44121593 351535798 /nfs/dbraw/zinc/53/57/98/351535798.db2.gz YLWVANIUXSFDTL-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Oc1ccc(-c2ccsc2)nc1 44121467 351535764 /nfs/dbraw/zinc/53/57/64/351535764.db2.gz DHAKZGQGRYUOMJ-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN c1ccc(-n2ncc3c2CCCC3)cc1 44138786 351536517 /nfs/dbraw/zinc/53/65/17/351536517.db2.gz ZGBVBTYRFINFCZ-UHFFFAOYSA-N 0 0 198.269 2.751 10 0 AFAERN O[C@@H]1CCC[C@H]1Cc1cccc(F)c1 44469619 351538537 /nfs/dbraw/zinc/53/85/37/351538537.db2.gz HPTIYVMTBUCKCW-CMPLNLGQSA-N 0 0 194.249 2.529 10 0 AFAERN O[C@H]1CCC[C@H]1Cc1cccc(F)c1 44469612 351538584 /nfs/dbraw/zinc/53/85/84/351538584.db2.gz HPTIYVMTBUCKCW-JQWIXIFHSA-N 0 0 194.249 2.529 10 0 AFAERN OCCCC1CCCCCC1 44396167 351538947 /nfs/dbraw/zinc/53/89/47/351538947.db2.gz AOXYHTOVCCOKQF-UHFFFAOYSA-N 0 0 156.269 2.729 10 0 AFAERN c1nc2cc3sccc3cc2[nH]1 45238478 351543056 /nfs/dbraw/zinc/54/30/56/351543056.db2.gz MRAQQLHWDGZMIY-UHFFFAOYSA-N 0 0 174.228 2.778 10 0 AFAERN c1ccc2c3co[nH]c-3cc2c1 45814133 351543062 /nfs/dbraw/zinc/54/30/62/351543062.db2.gz YFNKPWBFMFXYGP-UHFFFAOYSA-N 0 0 157.172 2.866 10 0 AFAERN c1cc2ccc3c[nH]oc3c2c1 45814091 351543078 /nfs/dbraw/zinc/54/30/78/351543078.db2.gz WEMRTMLXVRTVRA-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN S=CNc1nc2ccccc2s1 45237260 351543108 /nfs/dbraw/zinc/54/31/08/351543108.db2.gz UVRKAMHZOFYBPB-UHFFFAOYSA-N 0 0 194.284 2.665 10 0 AFAERN c1ccc2c3[nH]occ-3cc2c1 45814124 351543302 /nfs/dbraw/zinc/54/33/02/351543302.db2.gz GWVDJYZAHSZBPR-UHFFFAOYSA-N 0 0 157.172 2.866 10 0 AFAERN c1nc2c(ccc3cscc32)[nH]1 45238658 351543538 /nfs/dbraw/zinc/54/35/38/351543538.db2.gz KHQYCESBVZBLGC-UHFFFAOYSA-N 0 0 174.228 2.778 10 0 AFAERN c1cc2c(ccc3scnc32)[nH]1 45237847 351543624 /nfs/dbraw/zinc/54/36/24/351543624.db2.gz UANGBHLCLORANU-UHFFFAOYSA-N 0 0 174.228 2.778 10 0 AFAERN O=Cc1ccncc1-c1ccccc1 47212114 351544197 /nfs/dbraw/zinc/54/41/97/351544197.db2.gz BHGPMFQMCPNBBB-UHFFFAOYSA-N 0 0 183.210 2.561 10 0 AFAERN c1ccc2oc(C3CC3)nc2c1 45820529 351544494 /nfs/dbraw/zinc/54/44/94/351544494.db2.gz HVNQJLMZMQDUCQ-UHFFFAOYSA-N 0 0 159.188 2.705 10 0 AFAERN c1ccc2c(c1)oc1cc[nH]c12 45823806 351544655 /nfs/dbraw/zinc/54/46/55/351544655.db2.gz WMMFFDKPBQTMKA-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN c1cc2cc3ccoc3cc2[nH]1 45823811 351544816 /nfs/dbraw/zinc/54/48/16/351544816.db2.gz WCHDQSFJCXWNCQ-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN c1cc2ccc3occc3c2[nH]1 45823809 351544832 /nfs/dbraw/zinc/54/48/32/351544832.db2.gz QNQFFWHNHVLOFH-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN c1ccc2c(c1)oc1[nH]ccc12 45823804 351545097 /nfs/dbraw/zinc/54/50/97/351545097.db2.gz LJXRXRBVGBGQND-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN CC(C)(O)c1ccc2c(c1)CCCC2 50014512 351550203 /nfs/dbraw/zinc/55/02/03/351550203.db2.gz KBVZLADZGPLAEA-UHFFFAOYSA-N 0 0 190.286 2.793 10 0 AFAERN CC(C)C[C@@H](O)C1=CCCC1 50329078 351552971 /nfs/dbraw/zinc/55/29/71/351552971.db2.gz UYJDFKFVJFAYAJ-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN O[C@H](C1=CCCC1)c1ccsc1 50329198 351553030 /nfs/dbraw/zinc/55/30/30/351553030.db2.gz QLZXRRRYPZIVCD-SNVBAGLBSA-N 0 0 180.272 2.892 10 0 AFAERN O[C@H](C1=CCCC1)c1ccc(F)cc1 50329037 351553200 /nfs/dbraw/zinc/55/32/00/351553200.db2.gz OLULQMFROOJQGS-GFCCVEGCSA-N 0 0 192.233 2.969 10 0 AFAERN CC[C@@H](C)[C@H](O)C1=CCCC1 50329250 351553238 /nfs/dbraw/zinc/55/32/38/351553238.db2.gz SHJXVKZRLTUYKB-SCZZXKLOSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@@H](C)[C@@H](O)C1=CCCC1 50329252 351553254 /nfs/dbraw/zinc/55/32/54/351553254.db2.gz SHJXVKZRLTUYKB-PSASIEDQSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)C[C@H](O)C1=CCCC1 50329077 351553351 /nfs/dbraw/zinc/55/33/51/351553351.db2.gz UYJDFKFVJFAYAJ-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN O[C@H](C1=CCCC1)c1ccccc1 50329160 351553357 /nfs/dbraw/zinc/55/33/57/351553357.db2.gz VMVTWKUNVASDCC-LBPRGKRZSA-N 0 0 174.243 2.830 10 0 AFAERN O[C@H](CC(F)(F)F)C1=CCCCC1 50329025 351553394 /nfs/dbraw/zinc/55/33/94/351553394.db2.gz VEENDBCNWGPXET-MRVPVSSYSA-N 0 0 194.196 2.800 10 0 AFAERN O[C@H](Cc1ccccc1)C1=CCCC1 50329315 351553418 /nfs/dbraw/zinc/55/34/18/351553418.db2.gz YVQNCEUQPZVFFO-CYBMUJFWSA-N 0 0 188.270 2.700 10 0 AFAERN C[C@@H](OC1CCC1)c1cccc(N)c1 50519200 351554172 /nfs/dbraw/zinc/55/41/72/351554172.db2.gz IHRBVCHBFQVEFN-SECBINFHSA-N 0 0 191.274 2.899 10 0 AFAERN O[C@H]1CCCCCC[C@@H]1OC1CCC1 50521321 351554206 /nfs/dbraw/zinc/55/42/06/351554206.db2.gz HXSCSPYIZBIMPV-RYUDHWBXSA-N 0 0 198.306 2.639 10 0 AFAERN CC[C@@H](C)Nc1ncccc1C 51040834 351556593 /nfs/dbraw/zinc/55/65/93/351556593.db2.gz QWQRQSSANUHIMO-SECBINFHSA-N 0 0 164.252 2.600 10 0 AFAERN CC(C)CSCCCCCO 51020514 351556812 /nfs/dbraw/zinc/55/68/12/351556812.db2.gz HFRBEBFKPYVLND-UHFFFAOYSA-N 0 0 176.325 2.538 10 0 AFAERN CC[C@@H](C)c1nc(N)cc(C(C)C)n1 51690799 351558869 /nfs/dbraw/zinc/55/88/69/351558869.db2.gz VFIFOKVSOZNEOC-MRVPVSSYSA-N 0 0 193.294 2.696 10 0 AFAERN S=c1[nH]nc(C2CC2)n1C1CCC1 52211824 351563480 /nfs/dbraw/zinc/56/34/80/351563480.db2.gz BGRGEXIYMCMRSK-UHFFFAOYSA-N 0 0 195.291 2.543 10 0 AFAERN CC[C@@H](C)N(C)c1cc(F)ccc1N 52120072 351564031 /nfs/dbraw/zinc/56/40/31/351564031.db2.gz RIFJPHWPOFSTGR-MRVPVSSYSA-N 0 0 196.269 2.643 10 0 AFAERN CC[C@@H](C(=O)OC)c1cccc(C)c1 52248294 351564772 /nfs/dbraw/zinc/56/47/72/351564772.db2.gz OEFBGBDMMOXJBT-LLVKDONJSA-N 0 0 192.258 2.662 10 0 AFAERN CC[C@@H](C(=O)OC)c1ccccc1C 52233122 351565077 /nfs/dbraw/zinc/56/50/77/351565077.db2.gz CJLCCSZODFOLKT-SNVBAGLBSA-N 0 0 192.258 2.662 10 0 AFAERN C[C@@H]1C[C@H]1Nc1ccc(Cl)cc1N 52273665 351565599 /nfs/dbraw/zinc/56/55/99/351565599.db2.gz RJMADUBQZVTDHE-LHLIQPBNSA-N 0 0 196.681 2.743 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1ccc(Cl)cc1N 52273661 351565788 /nfs/dbraw/zinc/56/57/88/351565788.db2.gz RJMADUBQZVTDHE-LDWIPMOCSA-N 0 0 196.681 2.743 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1ccc(N)cc1Cl 52273408 351565866 /nfs/dbraw/zinc/56/58/66/351565866.db2.gz HLNFIRSSMXTDIR-LDWIPMOCSA-N 0 0 196.681 2.743 10 0 AFAERN C[C@@H]1C[C@H]1Nc1ncccc1Cl 52291630 351566638 /nfs/dbraw/zinc/56/66/38/351566638.db2.gz GTJQOUDHSRAOIZ-HTRCEHHLSA-N 0 0 182.654 2.555 10 0 AFAERN C[C@@H]1C[C@H]1Nc1nc2ccccc2o1 52290497 351566697 /nfs/dbraw/zinc/56/66/97/351566697.db2.gz SXJVEJGFLZYILV-VXNVDRBHSA-N 0 0 188.230 2.648 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1nc2ccccc2o1 52290493 351566939 /nfs/dbraw/zinc/56/69/39/351566939.db2.gz SXJVEJGFLZYILV-APPZFPTMSA-N 0 0 188.230 2.648 10 0 AFAERN C[C@@H]1C[C@H]1Nc1ccc(Cl)cn1 52291515 351567016 /nfs/dbraw/zinc/56/70/16/351567016.db2.gz BWQZDYJDYZERGY-HTRCEHHLSA-N 0 0 182.654 2.555 10 0 AFAERN CC[C@@H](C)Sc1ncc(N)cc1C 52813800 351567770 /nfs/dbraw/zinc/56/77/70/351567770.db2.gz AFTWYMPTRMLVMC-MRVPVSSYSA-N 0 0 196.319 2.863 10 0 AFAERN CC[C@@H](C)Nc1cc(C)nc(Cl)n1 52814226 351568230 /nfs/dbraw/zinc/56/82/30/351568230.db2.gz AYFFPCZWIMBEME-ZCFIWIBFSA-N 0 0 199.685 2.649 10 0 AFAERN c1cnnc(NC2CCCCCC2)c1 52815977 351569168 /nfs/dbraw/zinc/56/91/68/351569168.db2.gz FKIDFPRPXZDQJF-UHFFFAOYSA-N 0 0 191.278 2.611 10 0 AFAERN O[C@@H]1CCCC[C@H]1c1ccccc1F 53751470 351569800 /nfs/dbraw/zinc/56/98/00/351569800.db2.gz OFDQYRMHMRJZQZ-CMPLNLGQSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@H]1CCCC[C@H]1c1ccccc1F 53751466 351569865 /nfs/dbraw/zinc/56/98/65/351569865.db2.gz OFDQYRMHMRJZQZ-JQWIXIFHSA-N 0 0 194.249 2.844 10 0 AFAERN CCSc1c(N)ccc(F)c1F 53168479 351570027 /nfs/dbraw/zinc/57/00/27/351570027.db2.gz OLZKOORRCLTDIO-UHFFFAOYSA-N 0 0 189.230 2.659 10 0 AFAERN CCSc1cc(N)ccc1C 53735691 351570050 /nfs/dbraw/zinc/57/00/50/351570050.db2.gz HPJUVOOPPMMJQL-UHFFFAOYSA-N 0 0 167.277 2.689 10 0 AFAERN CC[C@@H](C)Nc1cc(N)ccc1C 53734512 351570263 /nfs/dbraw/zinc/57/02/63/351570263.db2.gz MCNAOIKHJLRTPN-SECBINFHSA-N 0 0 178.279 2.788 10 0 AFAERN O[C@@H]1CCCC[C@@H]1c1ccccc1F 53751472 351570323 /nfs/dbraw/zinc/57/03/23/351570323.db2.gz OFDQYRMHMRJZQZ-ZYHUDNBSSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@H](CC1CCCC1)c1ccco1 54446156 351572999 /nfs/dbraw/zinc/57/29/99/351572999.db2.gz FQZWYFHAQPLGLZ-SNVBAGLBSA-N 0 0 180.247 2.893 10 0 AFAERN CC[C@@H](C)CNc1cc(N)cc(F)c1 54466926 351573419 /nfs/dbraw/zinc/57/34/19/351573419.db2.gz IJQPTQCADMZIEV-MRVPVSSYSA-N 0 0 196.269 2.866 10 0 AFAERN CC[C@@H](C)CNc1nc(C)cc(C)n1 54474269 351573519 /nfs/dbraw/zinc/57/35/19/351573519.db2.gz RXCWTKTYYDFZNZ-MRVPVSSYSA-N 0 0 193.294 2.551 10 0 AFAERN CC[C@@H](C)CNc1ccc(N)cc1F 54466735 351573728 /nfs/dbraw/zinc/57/37/28/351573728.db2.gz LKSWQESLPXKCHM-MRVPVSSYSA-N 0 0 196.269 2.866 10 0 AFAERN CC[C@@H](C)CNc1cc(C)nc(C)n1 54474480 351573849 /nfs/dbraw/zinc/57/38/49/351573849.db2.gz GJUMOWQKDYTZTJ-MRVPVSSYSA-N 0 0 193.294 2.551 10 0 AFAERN CC[C@@H](C)CNc1ccc(Cl)nn1 54474505 351573873 /nfs/dbraw/zinc/57/38/73/351573873.db2.gz SYOHBAXKFNBAGB-SSDOTTSWSA-N 0 0 199.685 2.588 10 0 AFAERN CC[C@@H](C)CNc1cccc(N)c1 54466699 351574022 /nfs/dbraw/zinc/57/40/22/351574022.db2.gz IBBAVVAYYRNFLH-SECBINFHSA-N 0 0 178.279 2.727 10 0 AFAERN CC[C@@H](C)CNc1nccnc1Cl 54490401 351574126 /nfs/dbraw/zinc/57/41/26/351574126.db2.gz OFWKQJQUECWGSE-SSDOTTSWSA-N 0 0 199.685 2.588 10 0 AFAERN CC[C@@H](C)CNc1cccc(F)c1N 54466914 351574133 /nfs/dbraw/zinc/57/41/33/351574133.db2.gz YTYBKJSDPDJXJW-MRVPVSSYSA-N 0 0 196.269 2.866 10 0 AFAERN CC[C@@H](C)CNc1nccs1 54474567 351574177 /nfs/dbraw/zinc/57/41/77/351574177.db2.gz PLJIPOLSKVEKIF-SSDOTTSWSA-N 0 0 170.281 2.601 10 0 AFAERN CC[C@@H](C)CNc1ncccc1F 54700955 351574827 /nfs/dbraw/zinc/57/48/27/351574827.db2.gz ASLNIKKWAHFMAP-MRVPVSSYSA-N 0 0 182.242 2.679 10 0 AFAERN O[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 57490159 351579468 /nfs/dbraw/zinc/57/94/68/351579468.db2.gz UYXHJMHPSFOBER-MWLCHTKSSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@@H]1CC[C@H](c2ccccc2Cl)C1 57490141 351579507 /nfs/dbraw/zinc/57/95/07/351579507.db2.gz NTZZJYAMPKHHOP-DTWKUNHWSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@@H]1CC[C@@H](c2ccccc2Cl)C1 57490138 351579655 /nfs/dbraw/zinc/57/96/55/351579655.db2.gz NTZZJYAMPKHHOP-RKDXNWHRSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 57490142 351579797 /nfs/dbraw/zinc/57/97/97/351579797.db2.gz BGWOXXPNBWFRKL-KOLCDFICSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 57490152 351579923 /nfs/dbraw/zinc/57/99/23/351579923.db2.gz UYXHJMHPSFOBER-KOLCDFICSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 57490146 351579959 /nfs/dbraw/zinc/57/99/59/351579959.db2.gz BGWOXXPNBWFRKL-MWLCHTKSSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@H]1CC[C@H](c2ccccc2Cl)C1 57490135 351580122 /nfs/dbraw/zinc/58/01/22/351580122.db2.gz NTZZJYAMPKHHOP-IUCAKERBSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 57490155 351580206 /nfs/dbraw/zinc/58/02/06/351580206.db2.gz UYXHJMHPSFOBER-ONGXEEELSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@H]1CC[C@@H](c2ccccc2Cl)C1 57490133 351580326 /nfs/dbraw/zinc/58/03/26/351580326.db2.gz NTZZJYAMPKHHOP-BDAKNGLRSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 57490161 351580329 /nfs/dbraw/zinc/58/03/29/351580329.db2.gz UYXHJMHPSFOBER-GXSJLCMTSA-N 0 0 196.677 2.968 10 0 AFAERN O[C@H]1CC[C@H](c2cccc(Cl)c2)C1 57490145 351580341 /nfs/dbraw/zinc/58/03/41/351580341.db2.gz BGWOXXPNBWFRKL-ONGXEEELSA-N 0 0 196.677 2.968 10 0 AFAERN O=Cc1cnc(C2CCCCC2)o1 58519292 351581487 /nfs/dbraw/zinc/58/14/87/351581487.db2.gz PTDUEUZLXKBNCR-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN CCSc1ccc(C)c(N)c1 61702081 351583337 /nfs/dbraw/zinc/58/33/37/351583337.db2.gz XPQAQZUVOJOCIO-UHFFFAOYSA-N 0 0 167.277 2.689 10 0 AFAERN CC(C)CNc1nc2c(s1)CCC2 61714658 351583810 /nfs/dbraw/zinc/58/38/10/351583810.db2.gz ZLZSKECRTBUXSP-UHFFFAOYSA-N 0 0 196.319 2.700 10 0 AFAERN C[C@@H]1CCNc2cc(F)cc(F)c2O1 62522528 351587039 /nfs/dbraw/zinc/58/70/39/351587039.db2.gz PZTPKYTUDSPZRL-ZCFIWIBFSA-N 0 0 199.200 2.548 10 0 AFAERN CC(C)C(=O)c1ccc2c(c1)COC2 62331334 351587502 /nfs/dbraw/zinc/58/75/02/351587502.db2.gz WLYRADAKGULCFS-UHFFFAOYSA-N 0 0 190.242 2.556 10 0 AFAERN O[C@H]1CCCOc2c(Cl)cccc21 62568408 351588698 /nfs/dbraw/zinc/58/86/98/351588698.db2.gz HWAVPTZHEPRUPI-VIFPVBQESA-N 0 0 198.649 2.546 10 0 AFAERN O[C@@H]1CCCOc2c(Cl)cccc21 62568409 351588637 /nfs/dbraw/zinc/58/86/37/351588637.db2.gz HWAVPTZHEPRUPI-SECBINFHSA-N 0 0 198.649 2.546 10 0 AFAERN CCOc1ccc(Cl)cc1NC 62796588 351589542 /nfs/dbraw/zinc/58/95/42/351589542.db2.gz UYLFDIYTQHTBRH-UHFFFAOYSA-N 0 0 185.654 2.780 10 0 AFAERN CC[C@@H](C)Nc1cccc(N)c1C 62724060 351589665 /nfs/dbraw/zinc/58/96/65/351589665.db2.gz AQHXSSKZCXXEFK-MRVPVSSYSA-N 0 0 178.279 2.788 10 0 AFAERN CCSc1ccccc1NC 62796581 351589906 /nfs/dbraw/zinc/58/99/06/351589906.db2.gz UWVDOQUQFSQDOV-UHFFFAOYSA-N 0 0 167.277 2.840 10 0 AFAERN CCSc1cc(N)cc2[nH]ccc12 63022763 351590763 /nfs/dbraw/zinc/59/07/63/351590763.db2.gz QUXSOCLKHNMWJO-UHFFFAOYSA-N 0 0 192.287 2.862 10 0 AFAERN c1ccc2nc(-c3ncc[nH]3)ccc2c1 63076463 351590875 /nfs/dbraw/zinc/59/08/75/351590875.db2.gz LXDYCVXERGUGAA-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN Oc1cncc(-c2cccs2)c1 65337606 351591668 /nfs/dbraw/zinc/59/16/68/351591668.db2.gz JTFGBHAHMIIJNZ-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN Oc1ccc(-c2ccco2)c(F)c1 65340674 351591916 /nfs/dbraw/zinc/59/19/16/351591916.db2.gz FWKPGWWHGRUJAN-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN Oc1cccnc1-c1ccsc1 65337608 351591993 /nfs/dbraw/zinc/59/19/93/351591993.db2.gz NGCGPAZCWNJTNW-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN Oc1ccc(-c2ccco2)cc1F 65340672 351592045 /nfs/dbraw/zinc/59/20/45/351592045.db2.gz MSNSQOHFNBLVKO-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN Oc1cccnc1-c1cccs1 65337605 351592112 /nfs/dbraw/zinc/59/21/12/351592112.db2.gz RKRINYXJXSTYHE-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN Oc1cncc(-c2ccsc2)c1 65337610 351592229 /nfs/dbraw/zinc/59/22/29/351592229.db2.gz FEQQVXKWXHFRGC-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN c1cc(-c2cnc3[nH]ccc3c2)ccn1 66259733 351593181 /nfs/dbraw/zinc/59/31/81/351593181.db2.gz DIISUKSMCVCTCF-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1ccc2c(c1)CC[C@H](C1CC1)N2 70709616 351606493 /nfs/dbraw/zinc/60/64/93/351606493.db2.gz JUHCPOJGRWXIMN-GFCCVEGCSA-N 0 0 173.259 2.823 10 0 AFAERN c1ccc2c(c1)CC[C@@H](C1CC1)N2 70709619 351606479 /nfs/dbraw/zinc/60/64/79/351606479.db2.gz JUHCPOJGRWXIMN-LBPRGKRZSA-N 0 0 173.259 2.823 10 0 AFAERN CC[C@@H](C)c1nc2c(N)cccc2o1 71477718 351610737 /nfs/dbraw/zinc/61/07/37/351610737.db2.gz KEJYYXYRBUPRBB-SSDOTTSWSA-N 0 0 190.246 2.924 10 0 AFAERN CCOc1cc(C)c(N)cc1Cl 71499727 351611430 /nfs/dbraw/zinc/61/14/30/351611430.db2.gz ODMIJXFPCNXABD-UHFFFAOYSA-N 0 0 185.654 2.629 10 0 AFAERN Cc1cc(Cl)c(F)cc1F 72204543 351615815 /nfs/dbraw/zinc/61/58/15/351615815.db2.gz RHLAJEKVHZLEFY-UHFFFAOYSA-N 0 0 162.566 2.927 10 0 AFAERN c1nc2c(n1C1CCCC1)CCCC2 76093924 351625547 /nfs/dbraw/zinc/62/55/47/351625547.db2.gz OXUKAEKGLQXMOZ-UHFFFAOYSA-N 0 0 190.290 2.877 10 0 AFAERN CC(C)(Cc1ccccc1)N=O 77311887 351626706 /nfs/dbraw/zinc/62/67/06/351626706.db2.gz XXPQZJCYUTVUCA-UHFFFAOYSA-N 0 0 163.220 2.774 10 0 in-vitro AFAERN c1cc2c(ccc3[nH]ccc32)[nH]1 78447324 351627338 /nfs/dbraw/zinc/62/73/38/351627338.db2.gz CWPVVTYXWWGQFI-UHFFFAOYSA-N 0 0 156.188 2.649 10 0 AFAERN C[C@H](NC(=O)C(C)(C)C)C1CCCC1 78676807 351628301 /nfs/dbraw/zinc/62/83/01/351628301.db2.gz SPRPWDORNHNBJH-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN C1=CC[C@H](Nc2ccccn2)CC1 80120877 351631200 /nfs/dbraw/zinc/63/12/00/351631200.db2.gz HDRDWVLDOJIEGQ-JTQLQIEISA-N 0 0 174.247 2.602 10 0 AFAERN CC(C)C(=O)NC1CCC(C)(C)CC1 81561995 351633298 /nfs/dbraw/zinc/63/32/98/351633298.db2.gz PHQPJFYTHQTDMV-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN O=Cc1cc(Cl)c2cc[nH]c2c1 82396844 351636902 /nfs/dbraw/zinc/63/69/02/351636902.db2.gz QIGKJMVZNDKSAD-UHFFFAOYSA-N 0 0 179.606 2.634 10 0 AFAERN O=Cc1ccc2cc[nH]c2c1Cl 82396843 351636921 /nfs/dbraw/zinc/63/69/21/351636921.db2.gz GECYDJLKTJGVEU-UHFFFAOYSA-N 0 0 179.606 2.634 10 0 AFAERN O=Cc1cc(Cl)cc2cc[nH]c12 82396841 351636962 /nfs/dbraw/zinc/63/69/62/351636962.db2.gz NRDUWEYYZOEHKE-UHFFFAOYSA-N 0 0 179.606 2.634 10 0 AFAERN c1ccc2nc(N3CCCC3)ccc2c1 82712932 351641560 /nfs/dbraw/zinc/64/15/60/351641560.db2.gz UPTQMIFSUCDRPZ-UHFFFAOYSA-N 0 0 198.269 2.835 10 0 AFAERN CCOc1cc(Cl)ncc1Cl 83278150 351644773 /nfs/dbraw/zinc/64/47/73/351644773.db2.gz HUJCAIJBQINOQL-UHFFFAOYSA-N 0 0 192.045 2.787 10 0 AFAERN OCC1(c2cccc(F)c2)CCCC1 84355596 351651009 /nfs/dbraw/zinc/65/10/09/351651009.db2.gz OPTUIVFXFLGKRW-UHFFFAOYSA-N 0 0 194.249 2.630 10 0 AFAERN CC(C)CSc1ccccc1CO 84728526 351652062 /nfs/dbraw/zinc/65/20/62/351652062.db2.gz JKRRESIQWIBVHB-UHFFFAOYSA-N 0 0 196.315 2.927 10 0 AFAERN C/C(=C/C1CCC(C)CC1)CO 86210302 351654693 /nfs/dbraw/zinc/65/46/93/351654693.db2.gz IDIVSTLPWFLSPA-YFHOEESVSA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)(O)Sc1cccs1 86860106 351655774 /nfs/dbraw/zinc/65/57/74/351655774.db2.gz VORJEHYMBSGMOY-UHFFFAOYSA-N 0 0 174.290 2.569 10 0 AFAERN CCOc1nc2c(Cl)cccc2[nH]1 87117221 351658836 /nfs/dbraw/zinc/65/88/36/351658836.db2.gz UDCSYGCISFYARY-UHFFFAOYSA-N 0 0 196.637 2.615 10 0 AFAERN C[C@@H](O)c1cccc2sccc12 89195317 351662264 /nfs/dbraw/zinc/66/22/64/351662264.db2.gz ABRRCYJJDUJSIN-SSDOTTSWSA-N 0 0 178.256 2.955 10 0 AFAERN CCOc1ccc(OC)c2[nH]ccc12 89204723 351662826 /nfs/dbraw/zinc/66/28/26/351662826.db2.gz CELKBROTZUZKKV-UHFFFAOYSA-N 0 0 191.230 2.575 10 0 AFAERN c1ccc(-c2nccc3nc[nH]c23)cc1 89203004 351662985 /nfs/dbraw/zinc/66/29/85/351662985.db2.gz QRFUDXGVYXWSNF-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1coc(-c2ccc3nccn3c2)c1 89201346 351663005 /nfs/dbraw/zinc/66/30/05/351663005.db2.gz XMQGCNCTZFSGPX-UHFFFAOYSA-N 0 0 184.198 2.594 10 0 AFAERN CC(C)COc1ccc2n[nH]cc2c1 89196792 351663083 /nfs/dbraw/zinc/66/30/83/351663083.db2.gz IIEXYSNMMJLIKX-UHFFFAOYSA-N 0 0 190.246 2.598 10 0 AFAERN c1cc2c(c(-c3ccncc3)c1)CCN2 89209650 351663162 /nfs/dbraw/zinc/66/31/62/351663162.db2.gz ZIXCTOFSLZTNKF-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN CCSc1ccc2c(c1)CCN2 89209724 351663169 /nfs/dbraw/zinc/66/31/69/351663169.db2.gz OJPMTWWGOSWJMY-UHFFFAOYSA-N 0 0 179.288 2.767 10 0 AFAERN C[C@@H](O)c1ccc2ccsc2c1 89195375 351663299 /nfs/dbraw/zinc/66/32/99/351663299.db2.gz FXAWOJVGWHTZPD-SSDOTTSWSA-N 0 0 178.256 2.955 10 0 AFAERN c1cncc(-c2cccc3c2CCN3)c1 89209647 351663354 /nfs/dbraw/zinc/66/33/54/351663354.db2.gz SOIAADDUVQHSLN-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN c1ccc(-c2nccc3n[nH]cc23)cc1 89220017 351663788 /nfs/dbraw/zinc/66/37/88/351663788.db2.gz FVWXELLGWLIJJG-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1ccc2c3c(ncc2c1)CN=N3 89219821 351663879 /nfs/dbraw/zinc/66/38/79/351663879.db2.gz AAIOEAYDCDQLQP-UHFFFAOYSA-N 0 0 169.187 2.832 10 0 AFAERN c1ccc(-c2c[nH]c3cncnc23)cc1 89223683 351663911 /nfs/dbraw/zinc/66/39/11/351663911.db2.gz XDERIFGYEATQTC-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1ccc(-c2ncnc3cc[nH]c23)cc1 89223715 351664192 /nfs/dbraw/zinc/66/41/92/351664192.db2.gz PQCOYOFCPKPCQB-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC(C)CCc1ncnc2[nH]ccc12 89223828 351664272 /nfs/dbraw/zinc/66/42/72/351664272.db2.gz GAYOVWCYCCYBGF-UHFFFAOYSA-N 0 0 189.262 2.547 10 0 AFAERN c1ccc(-c2nc3ccncc3o2)cc1 89211708 351664354 /nfs/dbraw/zinc/66/43/54/351664354.db2.gz BYMZLUKQGMITKD-UHFFFAOYSA-N 0 0 196.209 2.890 10 0 AFAERN c1cc2o[nH]c3csc(c1)c32 90751184 351665451 /nfs/dbraw/zinc/66/54/51/351665451.db2.gz GOLHMZHWWKZYRE-UHFFFAOYSA-N 0 0 163.201 2.976 10 0 AFAERN CC(C)C(=O)c1ccncc1Cl 91677844 351666042 /nfs/dbraw/zinc/66/60/42/351666042.db2.gz GHAZEFMXJHPRQB-UHFFFAOYSA-N 0 0 183.638 2.574 10 0 AFAERN CC(C)CC(=O)c1ccncc1Cl 91677849 351666171 /nfs/dbraw/zinc/66/61/71/351666171.db2.gz ZZLVJRCPHWHWBB-UHFFFAOYSA-N 0 0 197.665 2.964 10 0 AFAERN OCc1csc2ccc(F)cc12 95078379 351666893 /nfs/dbraw/zinc/66/68/93/351666893.db2.gz OEMSLOYVGIDSHV-UHFFFAOYSA-N 0 0 182.219 2.533 10 0 AFAERN c1ccc(CSc2ncco2)cc1 95642554 351671196 /nfs/dbraw/zinc/67/11/96/351671196.db2.gz OVOPXYXARVMWOV-UHFFFAOYSA-N 0 0 191.255 2.967 10 0 AFAERN c1nc2c(ccc3sccc32)[nH]1 95922932 351675318 /nfs/dbraw/zinc/67/53/18/351675318.db2.gz GTACTEGISJCMII-UHFFFAOYSA-N 0 0 174.228 2.778 10 0 AFAERN c1nc2c(ccc3ccsc32)[nH]1 95922875 351675693 /nfs/dbraw/zinc/67/56/93/351675693.db2.gz UJKJCIUZMSPVCX-UHFFFAOYSA-N 0 0 174.228 2.778 10 0 AFAERN O=Cc1nc2c(ccc3ccccc32)[nH]1 95923074 351675736 /nfs/dbraw/zinc/67/57/36/351675736.db2.gz NIVDYABRPRAZJV-UHFFFAOYSA-N 0 0 196.209 2.529 10 0 AFAERN c1ccc2[nH]c(-c3cc[nH]c3)nc2c1 95923055 351675754 /nfs/dbraw/zinc/67/57/54/351675754.db2.gz NJRDWEHPOGRYSF-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN c1cc2ncn3ccsc(c1)c23 95922945 351675831 /nfs/dbraw/zinc/67/58/31/351675831.db2.gz UGNJCAKPEGSWRK-UHFFFAOYSA-N 0 0 174.228 2.549 10 0 AFAERN c1ccc2c[nH]oc-2c2cc-2c1 95931730 351676278 /nfs/dbraw/zinc/67/62/78/351676278.db2.gz ONTPCOQSNUEFPV-UHFFFAOYSA-N 0 0 157.172 2.817 10 0 AFAERN c1cc2cc3[nH]cnc3sc-2c1 95931202 351676503 /nfs/dbraw/zinc/67/65/03/351676503.db2.gz YGHJLPPPOUOTDE-UHFFFAOYSA-N 0 0 174.228 2.729 10 0 AFAERN C[C@@H]1CCn2cnc3cccc1c32 95923958 351676706 /nfs/dbraw/zinc/67/67/06/351676706.db2.gz VHTKJJVOEADPOS-MRVPVSSYSA-N 0 0 172.231 2.544 10 0 AFAERN c1cc2[nH]oc3csc(c1)c23 95931538 351676799 /nfs/dbraw/zinc/67/67/99/351676799.db2.gz ABOYLFWVNLJYIY-UHFFFAOYSA-N 0 0 163.201 2.976 10 0 AFAERN c1cc2oncc2c2cocc12 95936140 351677211 /nfs/dbraw/zinc/67/72/11/351677211.db2.gz JNQOMPOFEFWSAB-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN O=Cc1cc(C2CCCC2)ccc1O 96312911 351680788 /nfs/dbraw/zinc/68/07/88/351680788.db2.gz QEMUAXBZQKUBJV-UHFFFAOYSA-N 0 0 190.242 2.862 10 0 AFAERN Cc1scc(C(=O)NC(C)C)c1C 96752415 351683282 /nfs/dbraw/zinc/68/32/82/351683282.db2.gz LUXNTGHIFLCPDT-UHFFFAOYSA-N 0 0 197.303 2.503 10 0 AFAERN CCCNC(=O)c1csc(C)c1C 96752409 351683342 /nfs/dbraw/zinc/68/33/42/351683342.db2.gz BEJFNMXPAFUMBL-UHFFFAOYSA-N 0 0 197.303 2.505 10 0 AFAERN C#[N+]c1c[n-]nc1-c1ccc(C)cc1 100025858 351687520 /nfs/dbraw/zinc/68/75/20/351687520.db2.gz HOJPGMAFLHGVRA-UHFFFAOYSA-N 0 0 183.214 2.936 10 0 AFAERN c1cc2cc3occc3cc2[nH]1 100398130 351695769 /nfs/dbraw/zinc/69/57/69/351695769.db2.gz SOKYXNKMKJMGHO-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN CC(C)(O)[C@H]1CC[C@H](C)CC1 100453245 351697228 /nfs/dbraw/zinc/69/72/28/351697228.db2.gz UODXCYZDMHPIJE-DTORHVGOSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC=C=CC(=O)OC(C)(C)C 138331598 351743023 /nfs/dbraw/zinc/74/30/23/351743023.db2.gz UTLDWSKYGCADIT-UHFFFAOYSA-N 0 0 182.263 2.840 10 0 AFAERN c1ccc2oc([C@H]3CCCO3)nc2c1 102717538 351707022 /nfs/dbraw/zinc/70/70/22/351707022.db2.gz AJDIXSVEHLGXEP-SNVBAGLBSA-N 0 0 189.214 2.679 10 0 AFAERN O=NC=C1C=CNc2ccccc21 104031817 351709021 /nfs/dbraw/zinc/70/90/21/351709021.db2.gz ZJDNYRKJMVEISL-BQYQJAHWSA-N 0 0 172.187 2.733 10 0 AFAERN c1cc(-c2ncc[nH]2)c2cccnc2c1 104399997 351712877 /nfs/dbraw/zinc/71/28/77/351712877.db2.gz BBPPSGCJMAJRBK-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN S=c1cccc(-c2ccccn2)[nH]1 104461790 351713529 /nfs/dbraw/zinc/71/35/29/351713529.db2.gz NEUNHYFBKZRWIC-UHFFFAOYSA-N 0 0 188.255 2.806 10 0 AFAERN C=C[P@@](=O)(OCC)c1ccccc1 114570139 351724115 /nfs/dbraw/zinc/72/41/15/351724115.db2.gz RDKITHCKBHTSIT-CYBMUJFWSA-N 0 0 196.186 2.770 10 0 AFAERN C=C[P@](=O)(OCC)c1ccccc1 114570137 351724454 /nfs/dbraw/zinc/72/44/54/351724454.db2.gz RDKITHCKBHTSIT-ZDUSSCGKSA-N 0 0 196.186 2.770 10 0 AFAERN c1cc2cc(-c3cn[nH]c3)ccc2cn1 116421600 351725534 /nfs/dbraw/zinc/72/55/34/351725534.db2.gz UISAKNJPCXJPAC-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC(C)=CCn1cnc2c1CCCC2 124057147 351729638 /nfs/dbraw/zinc/72/96/38/351729638.db2.gz BNGWCPBFDDVAEM-UHFFFAOYSA-N 0 0 190.290 2.728 10 0 AFAERN c1ccc2c(c1)CC[C@@H]2Cc1c[nH]cn1 137392862 351742088 /nfs/dbraw/zinc/74/20/88/351742088.db2.gz KGQNETGJTZFZMO-LLVKDONJSA-N 0 0 198.269 2.682 10 0 AFAERN c1ccc2c(c1)CC[C@H]2Cc1c[nH]cn1 137392930 351742157 /nfs/dbraw/zinc/74/21/57/351742157.db2.gz KGQNETGJTZFZMO-NSHDSACASA-N 0 0 198.269 2.682 10 0 AFAERN C[C@@H]1CC2(CCCCC2)COC1=O 138319284 351742761 /nfs/dbraw/zinc/74/27/61/351742761.db2.gz REUFOPPUMTWZIZ-SECBINFHSA-N 0 0 182.263 2.520 10 0 AFAERN C[C@H]1CC2(CCCCC2)COC1=O 138319391 351742993 /nfs/dbraw/zinc/74/29/93/351742993.db2.gz REUFOPPUMTWZIZ-VIFPVBQESA-N 0 0 182.263 2.520 10 0 AFAERN CCCN(C)C(=O)Nc1ccccc1 143263646 351746742 /nfs/dbraw/zinc/74/67/42/351746742.db2.gz WZHLUPQKPZNFSR-UHFFFAOYSA-N 0 0 192.262 2.560 10 0 AFAERN CC(C)Cc1ccc(C=O)cc1F 149514356 351749060 /nfs/dbraw/zinc/74/90/60/351749060.db2.gz ZBTAIMKXLFNZNH-UHFFFAOYSA-N 0 0 180.222 2.837 10 0 AFAERN c1sc(CC2CC2)nc1C1CC1 163659420 351762704 /nfs/dbraw/zinc/76/27/04/351762704.db2.gz CYQIQXGELSQSHT-UHFFFAOYSA-N 0 0 179.288 2.973 10 0 AFAERN c1ccc(-c2cnc3[nH]ccc3c2)nc1 165757832 351766131 /nfs/dbraw/zinc/76/61/31/351766131.db2.gz STZWVIHGGKOKSX-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC1(C(=O)CC2CC2)CCCC1 165938229 351767015 /nfs/dbraw/zinc/76/70/15/351767015.db2.gz VNTYMTOTINZQHT-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN C[Si]1(c2ccccc2)CC=CC1 195763249 351773602 /nfs/dbraw/zinc/77/36/02/351773602.db2.gz NRPBNSRSVCOHBL-UHFFFAOYSA-N 0 0 174.319 2.542 10 0 AFAERN C[Si](C)(C)C(=O)Cc1ccccc1 195809240 351773956 /nfs/dbraw/zinc/77/39/56/351773956.db2.gz BCRZWEQCCUZXKL-UHFFFAOYSA-N 0 0 192.334 2.676 10 0 AFAERN C[Si](C)(C)/C=C\CCCCO 196106769 351774577 /nfs/dbraw/zinc/77/45/77/351774577.db2.gz ZEPAWMAFSMOAGH-CLFYSBASSA-N 0 0 172.344 2.583 10 0 AFAERN CC(C)SCc1ccccn1 196101962 351774616 /nfs/dbraw/zinc/77/46/16/351774616.db2.gz QAKXVONDDPALKF-UHFFFAOYSA-N 0 0 167.277 2.723 10 0 AFAERN O=C1CC[C@H]2C=C[C@@H](CC1)CC2 196314042 351775404 /nfs/dbraw/zinc/77/54/04/351775404.db2.gz UEEIMGWAGVICBA-AOOOYVTPSA-N 0 0 164.248 2.712 10 0 AFAERN CN(C)c1cccc(-c2ccc[nH]2)c1 196330778 351775465 /nfs/dbraw/zinc/77/54/65/351775465.db2.gz URJVKCXVMWLBLB-UHFFFAOYSA-N 0 0 186.258 2.748 10 0 AFAERN Cc1ccc(S[C@H]2CCC2=O)cc1 196320779 351775512 /nfs/dbraw/zinc/77/55/12/351775512.db2.gz ANCPUAZZBBEDFH-NSHDSACASA-N 0 0 192.283 2.819 10 0 AFAERN Cc1ccc(S[C@@H]2CCC2=O)cc1 196320771 351775529 /nfs/dbraw/zinc/77/55/29/351775529.db2.gz ANCPUAZZBBEDFH-LLVKDONJSA-N 0 0 192.283 2.819 10 0 AFAERN C[C@@]12CC[C@@](C)(O1)c1ccccc12 196321249 351775534 /nfs/dbraw/zinc/77/55/34/351775534.db2.gz ZEVCQDPVHHBRPA-TXEJJXNPSA-N 0 0 174.243 2.941 10 0 AFAERN CC(C)(C)[Si](C)(C)N1CCCC1=O 196320832 351775568 /nfs/dbraw/zinc/77/55/68/351775568.db2.gz PJMYQLKPMOVQJQ-UHFFFAOYSA-N 0 0 199.370 2.614 10 0 AFAERN CC(C)=C=C1CCC1 196319515 351775623 /nfs/dbraw/zinc/77/56/23/351775623.db2.gz BCFIJZDRQAGDNL-UHFFFAOYSA-N 0 0 108.184 2.662 10 0 AFAERN CCC/C=C/C=C/C=C/C(=O)OC 196310196 351775669 /nfs/dbraw/zinc/77/56/69/351775669.db2.gz DLNQRJFVXCCDKL-SUTYWZMXSA-N 0 0 180.247 2.628 10 0 AFAERN COc1ccnc2c([S-])cccc12 196453382 351776348 /nfs/dbraw/zinc/77/63/48/351776348.db2.gz VDTJTFYEVBXSBK-UHFFFAOYSA-N 0 0 191.255 2.532 10 0 AFAERN COc1ccc([S-])c2ncccc12 196453396 351776302 /nfs/dbraw/zinc/77/63/02/351776302.db2.gz YDQUYGMKVVSABV-UHFFFAOYSA-N 0 0 191.255 2.532 10 0 AFAERN C[Si](C)(C)Cc1cccnc1 196507621 351776601 /nfs/dbraw/zinc/77/66/01/351776601.db2.gz ZWTHFBGMGQDKRP-UHFFFAOYSA-N 0 0 165.312 2.502 10 0 AFAERN CCCCC[C@@H]1CC(C)=CC(=O)O1 196635127 351777027 /nfs/dbraw/zinc/77/70/27/351777027.db2.gz FHSZWEMOISLHLF-SNVBAGLBSA-N 0 0 182.263 2.829 10 0 AFAERN CCC/C=C1/C(=O)Nc2ccccc21 197067947 351777388 /nfs/dbraw/zinc/77/73/88/351777388.db2.gz UFKRZWOOQVTFDD-UXBLZVDNSA-N 0 0 187.242 2.822 10 0 AFAERN C[C@H](O)C[C@@H](C)OC1=CCCCC1 197044147 351777480 /nfs/dbraw/zinc/77/74/80/351777480.db2.gz QJJMGPBBUHGQSJ-VHSXEESVSA-N 0 0 184.279 2.620 10 0 AFAERN CC(C)(C)C(=O)C[Si](C)(C)C 197008645 351777766 /nfs/dbraw/zinc/77/77/66/351777766.db2.gz MMSUAKPAUJXAMY-UHFFFAOYSA-N 0 0 172.344 2.940 10 0 AFAERN CC1=CC[P@](=O)(OCC(C)C)C1 197167197 351778198 /nfs/dbraw/zinc/77/81/98/351778198.db2.gz JDDUJFMRXDRYBA-LBPRGKRZSA-N 0 0 188.207 2.897 10 0 AFAERN CC1=CC[P@@](=O)(OCC(C)C)C1 197167210 351778209 /nfs/dbraw/zinc/77/82/09/351778209.db2.gz JDDUJFMRXDRYBA-GFCCVEGCSA-N 0 0 188.207 2.897 10 0 AFAERN Cc1c(F)c(N)c(Cl)c(F)c1F 199743670 351779888 /nfs/dbraw/zinc/77/98/88/351779888.db2.gz OPVUMYKQOOZNCN-UHFFFAOYSA-N 0 0 195.571 2.648 10 0 AFAERN CC[C@@H]1OCCc2ccccc21 202456642 351782447 /nfs/dbraw/zinc/78/24/47/351782447.db2.gz IEYYLYCDJZZZHT-NSHDSACASA-N 0 0 162.232 2.710 10 0 AFAERN CC[C@H]1OCCc2ccccc21 202456621 351782453 /nfs/dbraw/zinc/78/24/53/351782453.db2.gz IEYYLYCDJZZZHT-LLVKDONJSA-N 0 0 162.232 2.710 10 0 AFAERN C=C/C=C/c1ccc(O)cc1 204980140 351783946 /nfs/dbraw/zinc/78/39/46/351783946.db2.gz QPFTUXZQTWMAOU-ONEGZZNKSA-N 0 0 146.189 2.591 10 0 AFAERN CC(C)c1nc(CC(C)(C)C)no1 205422522 351785018 /nfs/dbraw/zinc/78/50/18/351785018.db2.gz BJXILYOEWVCEOG-UHFFFAOYSA-N 0 0 182.267 2.782 10 0 AFAERN CC(C)C[C@@H]1C(=O)Oc2ccccc21 211815307 351785897 /nfs/dbraw/zinc/78/58/97/351785897.db2.gz NARCZGVTTCWLHQ-JTQLQIEISA-N 0 0 190.242 2.735 10 0 AFAERN Cc1cccc(/C=C\CCCO)c1 214479195 351786182 /nfs/dbraw/zinc/78/61/82/351786182.db2.gz OOFLSCURRPVWTC-CLTKARDFSA-N 0 0 176.259 2.781 10 0 AFAERN Cc1ccccc1/C=C\CCCO 214478619 351786206 /nfs/dbraw/zinc/78/62/06/351786206.db2.gz LUKOAOQYXJTWDO-BAQGIRSFSA-N 0 0 176.259 2.781 10 0 AFAERN CCC[C@]1(C)C(=O)Nc2ccccc21 216026216 351787244 /nfs/dbraw/zinc/78/72/44/351787244.db2.gz FBSILDGNVCPOHV-LBPRGKRZSA-N 0 0 189.258 2.697 10 0 AFAERN CCC[C@@]1(C)C(=O)Nc2ccccc21 216026168 351787302 /nfs/dbraw/zinc/78/73/02/351787302.db2.gz FBSILDGNVCPOHV-GFCCVEGCSA-N 0 0 189.258 2.697 10 0 AFAERN CC(C)(C)C1(C)C=C1 220092481 351791782 /nfs/dbraw/zinc/79/17/82/351791782.db2.gz FCXUDHSIYBFGMH-UHFFFAOYSA-N 0 0 110.200 2.609 10 0 AFAERN COc1ccc(Cl)c(F)c1C 220106204 351791972 /nfs/dbraw/zinc/79/19/72/351791972.db2.gz IOHWGEFIMVUDRK-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@@](O)(C(F)(F)F)C1 222385050 351793968 /nfs/dbraw/zinc/79/39/68/351793968.db2.gz BVZUCYNHZFIXMR-BWZBUEFSSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@]1(O)C(F)(F)F 222385172 351793994 /nfs/dbraw/zinc/79/39/94/351793994.db2.gz BVZUCYNHZFIXMR-GJMOJQLCSA-N 0 0 196.212 2.736 10 0 AFAERN Cc1noc([C@@H](C)CC(C)C)n1 222377192 351794089 /nfs/dbraw/zinc/79/40/89/351794089.db2.gz WREVNTLMYJOSIU-ZETCQYMHSA-N 0 0 168.240 2.528 10 0 AFAERN Cc1noc([C@H](C)CC(C)C)n1 222377250 351794173 /nfs/dbraw/zinc/79/41/73/351794173.db2.gz WREVNTLMYJOSIU-SSDOTTSWSA-N 0 0 168.240 2.528 10 0 AFAERN CC[C@H](NC(=O)CC(C)C)C(C)C 223553993 351795334 /nfs/dbraw/zinc/79/53/34/351795334.db2.gz KONPSJFWYOWPPO-JTQLQIEISA-N 0 0 185.311 2.583 10 0 AFAERN CCC(=O)c1cc(N)ccc1Cl 223515217 351795565 /nfs/dbraw/zinc/79/55/65/351795565.db2.gz CURXRZMBYJPVNF-UHFFFAOYSA-N 0 0 183.638 2.515 10 0 AFAERN CC1(C(=O)Cc2ccco2)CCCC1 229453927 351807799 /nfs/dbraw/zinc/80/77/99/351807799.db2.gz ZVXORTRRADEFJP-UHFFFAOYSA-N 0 0 192.258 2.972 10 0 AFAERN Cc1cncc(NCC2CCC2)c1 232074262 351814023 /nfs/dbraw/zinc/81/40/23/351814023.db2.gz QAKGTMODUCQWFF-UHFFFAOYSA-N 0 0 176.263 2.602 10 0 AFAERN Cc1cc(F)c(NCCF)cc1F 235882917 351817234 /nfs/dbraw/zinc/81/72/34/351817234.db2.gz QCIIFPZLOSRAIS-UHFFFAOYSA-N 0 0 189.180 2.655 10 0 AFAERN Cc1cc2cnc(Cl)cc2cc1O 235878238 351817394 /nfs/dbraw/zinc/81/73/94/351817394.db2.gz YBMYJTVITDRZMN-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1ccc(NC2CC2)c(C)c1O 235883337 351817414 /nfs/dbraw/zinc/81/74/14/351817414.db2.gz YDCWLGBFAPUYJY-UHFFFAOYSA-N 0 0 177.247 2.583 10 0 AFAERN Cc1ccc(-c2cc(=O)cc[nH]2)s1 235890024 351817422 /nfs/dbraw/zinc/81/74/22/351817422.db2.gz XYPASDOQRUKBSH-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc([C@@H](O)C2CCCC2)ccn1 235878367 351817529 /nfs/dbraw/zinc/81/75/29/351817529.db2.gz BGRWJCAVOLBJSZ-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2CC2(C)C)o1 235887681 351817583 /nfs/dbraw/zinc/81/75/83/351817583.db2.gz NQCNCGBOWWLDLV-QMMMGPOBSA-N 0 0 178.231 2.817 10 0 AFAERN Cc1ccc(NCC2CC2)cc1O 235893180 351817987 /nfs/dbraw/zinc/81/79/87/351817987.db2.gz DHQNNHHVXYPOBK-UHFFFAOYSA-N 0 0 177.247 2.523 10 0 AFAERN Cc1cc(F)c(NC2CC2)cc1F 235897189 351818005 /nfs/dbraw/zinc/81/80/05/351818005.db2.gz NDWKZPGLZYRYNK-UHFFFAOYSA-N 0 0 183.201 2.848 10 0 AFAERN Cc1ccc(NCC2CCC2)cc1O 235893448 351818115 /nfs/dbraw/zinc/81/81/15/351818115.db2.gz LWRNQHFACHRZNS-UHFFFAOYSA-N 0 0 191.274 2.913 10 0 AFAERN Cc1cccc(C2=NC(=S)OC2)c1 235894704 351818123 /nfs/dbraw/zinc/81/81/23/351818123.db2.gz KPWHCDWBWXZRDI-UHFFFAOYSA-N 0 0 191.255 2.939 10 0 AFAERN CCCCc1ccc(C(=O)OCC)[nH]1 238263159 351819413 /nfs/dbraw/zinc/81/94/13/351819413.db2.gz YLJSVCVAOZAOKQ-UHFFFAOYSA-N 0 0 195.262 2.534 10 0 AFAERN CCO[C@@H]1CCNc2ccccc21 238264064 351819418 /nfs/dbraw/zinc/81/94/18/351819418.db2.gz IISXMFWUTYSMEM-LLVKDONJSA-N 0 0 177.247 2.580 10 0 AFAERN CCc1cc(C2CC2)nc(Cl)n1 238305917 351820176 /nfs/dbraw/zinc/82/01/76/351820176.db2.gz ULNMRCNPIGGOAC-UHFFFAOYSA-N 0 0 182.654 2.570 10 0 AFAERN CC[C@H](CO)C1=CCCCC1 238307038 351820201 /nfs/dbraw/zinc/82/02/01/351820201.db2.gz CFJDHHCTYDFSHI-SECBINFHSA-N 0 0 154.253 2.505 10 0 AFAERN C=C=CCCCC[C@@H](O)CC 238306700 351820269 /nfs/dbraw/zinc/82/02/69/351820269.db2.gz HLKIXUVWZSBLMN-JTQLQIEISA-N 0 0 154.253 2.659 10 0 AFAERN COc1c(F)ccc(F)c1C(F)F 238407965 351821227 /nfs/dbraw/zinc/82/12/27/351821227.db2.gz KERCZBKBYQSRFA-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN C[C@@H](NO)c1c(F)cccc1Cl 238409414 351821389 /nfs/dbraw/zinc/82/13/89/351821389.db2.gz KWDKIMURBWZZQZ-RXMQYKEDSA-N 0 0 189.617 2.519 10 0 AFAERN Cc1ccnc(OC(F)(F)F)c1C 238472265 351822051 /nfs/dbraw/zinc/82/20/51/351822051.db2.gz KVBBKQVNZYJZQQ-UHFFFAOYSA-N 0 0 191.152 2.597 10 0 AFAERN Cc1cc(O)ccc1OC(F)(F)F 238484165 351822385 /nfs/dbraw/zinc/82/23/85/351822385.db2.gz IJVKMYIQOFHTNX-UHFFFAOYSA-N 0 0 192.136 2.599 10 0 AFAERN C=Cc1ccc(C(F)(F)F)cc1N 238616840 351823338 /nfs/dbraw/zinc/82/33/38/351823338.db2.gz AGWCOCAWJJFTGO-UHFFFAOYSA-N 0 0 187.164 2.931 10 0 AFAERN C[C@H]1CC[C@H](Nc2nncs2)CC1 253132811 351844734 /nfs/dbraw/zinc/84/47/34/351844734.db2.gz PSQWFYBNXVTPGX-ZKCHVHJHSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1cccc(-c2nc(N)oc2C)c1 257815083 351850726 /nfs/dbraw/zinc/85/07/26/351850726.db2.gz CTGDJYDUQHDOJW-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC(F)(F)c1cccnc1Cl 257825561 351851136 /nfs/dbraw/zinc/85/11/36/351851136.db2.gz HDMHZDHLHJWLLT-UHFFFAOYSA-N 0 0 177.581 2.847 10 0 AFAERN CC(C)CCc1cc(F)ccc1N 257818444 351851155 /nfs/dbraw/zinc/85/11/55/351851155.db2.gz DZDLUIOVGPMOAO-UHFFFAOYSA-N 0 0 181.254 2.997 10 0 AFAERN CCc1sc(N)nc1C1CCCC1 257821236 351851175 /nfs/dbraw/zinc/85/11/75/351851175.db2.gz FXUZCIKALQIMMI-UHFFFAOYSA-N 0 0 196.319 2.945 10 0 AFAERN Cc1sc(C=O)nc1C(C)(C)C 257823970 351851201 /nfs/dbraw/zinc/85/12/01/351851201.db2.gz GNEYUBOYEYEFPD-UHFFFAOYSA-N 0 0 183.276 2.562 10 0 AFAERN Cc1ccc(C=O)c(Cl)c1F 257826042 351851240 /nfs/dbraw/zinc/85/12/40/351851240.db2.gz HKUIWPPUURJWSL-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN CCc1sc(N)nc1C1CCC1 257827515 351851273 /nfs/dbraw/zinc/85/12/73/351851273.db2.gz HYKVSICPKCCHRX-UHFFFAOYSA-N 0 0 182.292 2.555 10 0 AFAERN Fc1cccc(-c2c[nH]c(Cl)n2)c1 257828441 351851821 /nfs/dbraw/zinc/85/18/21/351851821.db2.gz IHSCKQDZJYYJHA-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN CC1(c2nc(C=O)cs2)CCCC1 257848906 351852609 /nfs/dbraw/zinc/85/26/09/351852609.db2.gz DMCROUHWBZCTQE-UHFFFAOYSA-N 0 0 195.287 2.787 10 0 AFAERN Fc1ccccc1-c1c[nH]c(Cl)n1 257869033 351853116 /nfs/dbraw/zinc/85/31/16/351853116.db2.gz SQJQYTNGWCIZBY-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN CC(C)[C@@H](O)c1cc(Cl)ccc1N 257901082 351853972 /nfs/dbraw/zinc/85/39/72/351853972.db2.gz VSSQGVCRGKPZOU-SNVBAGLBSA-N 0 0 199.681 2.612 10 0 AFAERN Cc1sc(C=O)nc1C1CCCC1 257880176 351854250 /nfs/dbraw/zinc/85/42/50/351854250.db2.gz VGZUWOHHGVRHFZ-UHFFFAOYSA-N 0 0 195.287 2.922 10 0 AFAERN CC(C)[C@H](O)c1cc(Cl)ccc1N 257901080 351854370 /nfs/dbraw/zinc/85/43/70/351854370.db2.gz VSSQGVCRGKPZOU-JTQLQIEISA-N 0 0 199.681 2.612 10 0 AFAERN O=Cc1c(F)c(F)cc(Cl)c1F 257940657 351855409 /nfs/dbraw/zinc/85/54/09/351855409.db2.gz DATFKPTXYAPJFF-UHFFFAOYSA-N 0 0 194.539 2.570 10 0 AFAERN CCc1sc(=O)[nH]c1C(C)(C)C 257925791 351855421 /nfs/dbraw/zinc/85/54/21/351855421.db2.gz SDMCSELPZFJGSM-UHFFFAOYSA-N 0 0 185.292 2.709 10 0 AFAERN CCc1cc(F)c(F)c(C(C)=O)c1 257949532 351855973 /nfs/dbraw/zinc/85/59/73/351855973.db2.gz ARXIOFLNTNWCFO-UHFFFAOYSA-N 0 0 184.185 2.730 10 0 AFAERN CCc1cc(C(C)=O)c(F)cc1F 257971114 351856087 /nfs/dbraw/zinc/85/60/87/351856087.db2.gz CWQUHXNAEPVAOA-UHFFFAOYSA-N 0 0 184.185 2.730 10 0 AFAERN Cc1sc(=O)[nH]c1C1CCCC1 257981579 351856891 /nfs/dbraw/zinc/85/68/91/351856891.db2.gz ZUFJYIGFXKBYMV-UHFFFAOYSA-N 0 0 183.276 2.815 10 0 AFAERN Cc1sc(N)nc1C1CCCC1 257974576 351856951 /nfs/dbraw/zinc/85/69/51/351856951.db2.gz YXMWIVLYLFCASK-UHFFFAOYSA-N 0 0 182.292 2.691 10 0 AFAERN CC(=O)c1c(Cl)cccc1N(C)C 258003851 351857382 /nfs/dbraw/zinc/85/73/82/351857382.db2.gz GTRBXHWDDSFSJD-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN CSc1cc(C=O)c(F)cc1C 258088460 351859086 /nfs/dbraw/zinc/85/90/86/351859086.db2.gz WOXGWEJNPCHCGR-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CC(=O)c1cc(F)c(F)c(Cl)c1 258153035 351859496 /nfs/dbraw/zinc/85/94/96/351859496.db2.gz UIVHAEFTCRHLGG-UHFFFAOYSA-N 0 0 190.576 2.821 10 0 AFAERN CC(=O)c1ccc(C)c(F)c1Cl 258116215 351859630 /nfs/dbraw/zinc/85/96/30/351859630.db2.gz QFEGPRXEORAWMX-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN CCc1ccc(F)c(C(C)=O)c1F 258143072 351859747 /nfs/dbraw/zinc/85/97/47/351859747.db2.gz STFCVVVKTCDHNM-UHFFFAOYSA-N 0 0 184.185 2.730 10 0 AFAERN C[C@H]1CNc2cccc(F)c2S1 258389995 351861908 /nfs/dbraw/zinc/86/19/08/351861908.db2.gz BAVAEIYOUXZDSX-LURJTMIESA-N 0 0 183.251 2.732 10 0 AFAERN C[C@@H]1CNc2cccc(F)c2S1 258390005 351861941 /nfs/dbraw/zinc/86/19/41/351861941.db2.gz BAVAEIYOUXZDSX-ZCFIWIBFSA-N 0 0 183.251 2.732 10 0 AFAERN CC1=NC(=S)NC1C1CCCC1 258571261 351864361 /nfs/dbraw/zinc/86/43/61/351864361.db2.gz NHPGCUJMFSJDIE-UHFFFAOYSA-N 0 0 182.292 2.664 10 0 AFAERN CCc1cc(C)c(C)c(C=O)c1 258565495 351864571 /nfs/dbraw/zinc/86/45/71/351864571.db2.gz RCOKCKDCOKEKAF-UHFFFAOYSA-N 0 0 162.232 2.678 10 0 AFAERN CNc1nc(C)c(CC(C)C)s1 258646617 351865708 /nfs/dbraw/zinc/86/57/08/351865708.db2.gz DENNJEGZMRWGBF-UHFFFAOYSA-N 0 0 184.308 2.692 10 0 AFAERN Cc1ccc(N(C)C(C)(C)C)c(N)c1 258680201 351866358 /nfs/dbraw/zinc/86/63/58/351866358.db2.gz CDCLFZGRCHZUEY-UHFFFAOYSA-N 0 0 192.306 2.812 10 0 AFAERN CC(C)(C)CNc1c(N)cccc1F 258842617 351866985 /nfs/dbraw/zinc/86/69/85/351866985.db2.gz RBZVFYNVVDZDJC-UHFFFAOYSA-N 0 0 196.269 2.866 10 0 AFAERN CCCCc1csc(NC)n1 258776773 351867584 /nfs/dbraw/zinc/86/75/84/351867584.db2.gz LQAJLKONCYCUBS-UHFFFAOYSA-N 0 0 170.281 2.527 10 0 AFAERN Cc1ccc(S[C@H](C)CO)c(C)c1 258942283 351868019 /nfs/dbraw/zinc/86/80/19/351868019.db2.gz AEMBKGDGKYTAKB-SNVBAGLBSA-N 0 0 196.315 2.776 10 0 AFAERN CC(C)(C)Nc1c(N)cccc1F 258898407 351868269 /nfs/dbraw/zinc/86/82/69/351868269.db2.gz GEMQUSFBMRSXEG-UHFFFAOYSA-N 0 0 182.242 2.618 10 0 AFAERN CCCN(C)c1cc(C)c(C)cc1N 258913638 351868371 /nfs/dbraw/zinc/86/83/71/351868371.db2.gz ZHVPHPXJHPNRLO-UHFFFAOYSA-N 0 0 192.306 2.732 10 0 AFAERN Cc1ccc(S[C@@H](C)CO)c(C)c1 258942278 351868390 /nfs/dbraw/zinc/86/83/90/351868390.db2.gz AEMBKGDGKYTAKB-JTQLQIEISA-N 0 0 196.315 2.776 10 0 AFAERN Cc1cc(Cl)c(C=O)cc1F 259081716 351868963 /nfs/dbraw/zinc/86/89/63/351868963.db2.gz CODVZUDDDMOUBA-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN CC(=O)c1nc(C(C)(C)C)c(C)s1 259060737 351869003 /nfs/dbraw/zinc/86/90/03/351869003.db2.gz BKDYYUHDUXBWOW-UHFFFAOYSA-N 0 0 197.303 2.952 10 0 AFAERN Cc1ccsc1-c1nc(N)cs1 259127165 351869567 /nfs/dbraw/zinc/86/95/67/351869567.db2.gz DPNANTYATDWIGD-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN S=c1[nH]c(C2CCC2)cs1 259109242 351869689 /nfs/dbraw/zinc/86/96/89/351869689.db2.gz FPDQDULFWNZWPZ-UHFFFAOYSA-N 0 0 171.290 2.699 10 0 AFAERN CCSc1cccc(NC)c1 259184397 351870543 /nfs/dbraw/zinc/87/05/43/351870543.db2.gz ISTKLHNYRVHUFB-UHFFFAOYSA-N 0 0 167.277 2.840 10 0 AFAERN Cc1ccsc1C1=NC(=O)CS1 259237050 351871808 /nfs/dbraw/zinc/87/18/08/351871808.db2.gz JMYVQLNAHFEWCP-UHFFFAOYSA-N 0 0 197.284 2.886 10 0 AFAERN Cc1ccc(SCC2COC2)cc1 259235731 351871931 /nfs/dbraw/zinc/87/19/31/351871931.db2.gz NOOOQSFNVDTUJL-UHFFFAOYSA-N 0 0 194.299 2.734 10 0 AFAERN CCc1nc(-c2ccc[nH]2)cs1 259249293 351871937 /nfs/dbraw/zinc/87/19/37/351871937.db2.gz LEESZTQKSLQRCF-UHFFFAOYSA-N 0 0 178.260 2.701 10 0 AFAERN Cc1nc(C2CCC(=O)CC2)cs1 259271640 351872187 /nfs/dbraw/zinc/87/21/87/351872187.db2.gz LLVYFLQUWTVLSU-UHFFFAOYSA-N 0 0 195.287 2.678 10 0 AFAERN CNc1cccc(-c2ccc[nH]2)c1 259278397 351872234 /nfs/dbraw/zinc/87/22/34/351872234.db2.gz PDWCMUYSKIYGLQ-UHFFFAOYSA-N 0 0 172.231 2.723 10 0 AFAERN CNc1cccc(C2CCOCC2)c1 259273164 351872243 /nfs/dbraw/zinc/87/22/43/351872243.db2.gz OXCBIWPTAQXPJE-UHFFFAOYSA-N 0 0 191.274 2.622 10 0 AFAERN O=Cc1cc(F)c(Cl)c(F)c1F 259267723 351872247 /nfs/dbraw/zinc/87/22/47/351872247.db2.gz BPJKFVMCASCBGZ-UHFFFAOYSA-N 0 0 194.539 2.570 10 0 AFAERN C[C@@H]1CNc2cccc(F)c2SC1 259426014 351874220 /nfs/dbraw/zinc/87/42/20/351874220.db2.gz YWHSPDOQHGJXDF-SSDOTTSWSA-N 0 0 197.278 2.979 10 0 AFAERN C[C@H]1CNc2cccc(F)c2SC1 259426016 351874278 /nfs/dbraw/zinc/87/42/78/351874278.db2.gz YWHSPDOQHGJXDF-ZETCQYMHSA-N 0 0 197.278 2.979 10 0 AFAERN Cc1ccc(-c2ccnc(Cl)n2)o1 259509404 351875322 /nfs/dbraw/zinc/87/53/22/351875322.db2.gz MEAXYBUOHBJBJC-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CC(C)[C@@H](CF)c1ccc(N)cc1 259756122 351878719 /nfs/dbraw/zinc/87/87/19/351878719.db2.gz ORMUCNOUUPOIGJ-LLVKDONJSA-N 0 0 181.254 2.978 10 0 AFAERN CC(C)[C@H](CF)c1ccc(N)cc1 259756128 351878817 /nfs/dbraw/zinc/87/88/17/351878817.db2.gz ORMUCNOUUPOIGJ-NSHDSACASA-N 0 0 181.254 2.978 10 0 AFAERN CC(C)n1ccc2cccc(N)c21 259709832 351879088 /nfs/dbraw/zinc/87/90/88/351879088.db2.gz LBQTZSHAUOKQQN-UHFFFAOYSA-N 0 0 174.247 2.804 10 0 AFAERN Clc1nc([C@@H]2CCCO2)cs1 259819317 351880635 /nfs/dbraw/zinc/88/06/35/351880635.db2.gz TYEIMKMIMRJSQX-LURJTMIESA-N 0 0 189.667 2.648 10 0 AFAERN Clc1nc([C@H]2CCCO2)cs1 259819323 351880702 /nfs/dbraw/zinc/88/07/02/351880702.db2.gz TYEIMKMIMRJSQX-ZCFIWIBFSA-N 0 0 189.667 2.648 10 0 AFAERN CC(C)N(C)c1ccc(F)c(F)c1 259995677 351882682 /nfs/dbraw/zinc/88/26/82/351882682.db2.gz JLTOLVIOZWLPKI-UHFFFAOYSA-N 0 0 185.217 2.809 10 0 AFAERN COC(=O)c1cc(C)cc(C)c1Cl 260229696 351884356 /nfs/dbraw/zinc/88/43/56/351884356.db2.gz SYYYDQBECYFCMJ-UHFFFAOYSA-N 0 0 198.649 2.743 10 0 AFAERN COC(=O)c1cc(C)cc(Cl)c1C 260323516 351884902 /nfs/dbraw/zinc/88/49/02/351884902.db2.gz XQTGTPNLTRRXER-UHFFFAOYSA-N 0 0 198.649 2.743 10 0 AFAERN COC(=O)c1c(C)ccc(Cl)c1C 260960496 351887311 /nfs/dbraw/zinc/88/73/11/351887311.db2.gz NQDRTONOZHVRCV-UHFFFAOYSA-N 0 0 198.649 2.743 10 0 AFAERN CCOC(=O)c1cc(C)c(C)c(F)c1 261034860 351888097 /nfs/dbraw/zinc/88/80/97/351888097.db2.gz BLZYRDOXVUYAMS-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN CCOC(=O)c1cc(C)cc(C)c1F 261127730 351888918 /nfs/dbraw/zinc/88/89/18/351888918.db2.gz KMEOIXXIIRQPHM-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN COC(=O)c1c(C)ccc(C)c1Cl 261129812 351888930 /nfs/dbraw/zinc/88/89/30/351888930.db2.gz LEYIBJOXFKOVRJ-UHFFFAOYSA-N 0 0 198.649 2.743 10 0 AFAERN CCOC(=O)c1cc(C)cc(F)c1C 261141885 351889591 /nfs/dbraw/zinc/88/95/91/351889591.db2.gz OWJHRNWRGLMTHR-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN CCOC(=O)c1cc(C)c(C)cc1F 261139175 351889641 /nfs/dbraw/zinc/88/96/41/351889641.db2.gz NXIFQQXQWKJQNP-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN CCOC(=O)c1cc(F)c(C)cc1C 261150681 351889643 /nfs/dbraw/zinc/88/96/43/351889643.db2.gz RUSUXFPFTSWDAZ-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN CCOC(=O)c1c(C)ccc(F)c1C 261153963 351889647 /nfs/dbraw/zinc/88/96/47/351889647.db2.gz TWCOBTVSKQWOGO-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN CCOC(=O)c1c(C)ccc(C)c1F 261141891 351889776 /nfs/dbraw/zinc/88/97/76/351889776.db2.gz OWJVJZWLTZPLIQ-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN CCOC(=O)c1ccc(C)c(F)c1C 261204480 351890477 /nfs/dbraw/zinc/89/04/77/351890477.db2.gz MLFWLUCULIBMJL-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN CCOC(=O)c1cc(C)c(F)cc1C 261173412 351890489 /nfs/dbraw/zinc/89/04/89/351890489.db2.gz ZMWMJKSSLFGRBW-UHFFFAOYSA-N 0 0 196.221 2.619 10 0 AFAERN Cc1ccc2c(F)ccc(C)c2n1 299889841 351893249 /nfs/dbraw/zinc/89/32/49/351893249.db2.gz PNLQXRUMGIDZRP-UHFFFAOYSA-N 0 0 175.206 2.991 10 0 AFAERN Cc1cccc2c(N)csc12 299889959 351893271 /nfs/dbraw/zinc/89/32/71/351893271.db2.gz ROPSZDNMXRPJCE-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN CCC(=O)c1ccc(C(F)F)nc1 306157555 351902884 /nfs/dbraw/zinc/90/28/84/351902884.db2.gz MUSZNIJNPCJWDK-UHFFFAOYSA-N 0 0 185.173 2.612 10 0 AFAERN CCC1(C[C@H]2CSCC2=O)CCC1 306221214 351909200 /nfs/dbraw/zinc/90/92/00/351909200.db2.gz PHDGAMXAVWIOES-VIFPVBQESA-N 0 0 198.331 2.889 10 0 AFAERN CCC1(C[C@@H]2CSCC2=O)CCC1 306221213 351909296 /nfs/dbraw/zinc/90/92/96/351909296.db2.gz PHDGAMXAVWIOES-SECBINFHSA-N 0 0 198.331 2.889 10 0 AFAERN CCC[C@H](C)SCCOC 306278662 351915246 /nfs/dbraw/zinc/91/52/46/351915246.db2.gz GTXKCLOIJIWDTP-QMMMGPOBSA-N 0 0 162.298 2.555 10 0 AFAERN CC[C@@H](NO)c1cc(C)ccc1C 306278804 351915264 /nfs/dbraw/zinc/91/52/64/351915264.db2.gz QPJKUOGCPJFOPS-LLVKDONJSA-N 0 0 179.263 2.733 10 0 AFAERN CCC[C@@H](C)SCCOC 306278661 351915294 /nfs/dbraw/zinc/91/52/94/351915294.db2.gz GTXKCLOIJIWDTP-MRVPVSSYSA-N 0 0 162.298 2.555 10 0 AFAERN Fc1ccccc1NCC1(F)CC1 306279104 351915365 /nfs/dbraw/zinc/91/53/65/351915365.db2.gz YANJTPSHAKHYQP-UHFFFAOYSA-N 0 0 183.201 2.740 10 0 AFAERN CC[C@@H](C)c1noc(C(C)(C)F)n1 306373869 351924224 /nfs/dbraw/zinc/92/42/24/351924224.db2.gz KIRAFFCLASTIRU-ZCFIWIBFSA-N 0 0 186.230 2.788 10 0 AFAERN CC(C)=CCSc1cccnn1 306447035 351931398 /nfs/dbraw/zinc/93/13/98/351931398.db2.gz CSMOQRNAHZDPDP-UHFFFAOYSA-N 0 0 180.276 2.535 10 0 AFAERN Cc1cccc(C(=O)C(C)(C)F)c1 306452486 351932595 /nfs/dbraw/zinc/93/25/95/351932595.db2.gz GHNHBWZRDFMDHS-UHFFFAOYSA-N 0 0 180.222 2.926 10 0 AFAERN c1cnnc(SC2CCCC2)c1 306454110 351932598 /nfs/dbraw/zinc/93/25/98/351932598.db2.gz YGVQRWITLFHETH-UHFFFAOYSA-N 0 0 180.276 2.511 10 0 AFAERN CC(C)(C1CCC1)[C@]1(O)[C@H]2CCC[C@H]21 306492823 351937730 /nfs/dbraw/zinc/93/77/30/351937730.db2.gz QMEDPVUJJFZRLD-PTEHBNRSSA-N 0 0 194.318 2.974 10 0 AFAERN CCC(C)(C)c1nnc(C(F)F)o1 306553297 351945463 /nfs/dbraw/zinc/94/54/63/351945463.db2.gz BEPHLFIZGHWITE-UHFFFAOYSA-N 0 0 190.193 2.695 10 0 AFAERN C[C@@H](N1CCCCCC1)C(F)(F)F 306553378 351945473 /nfs/dbraw/zinc/94/54/73/351945473.db2.gz BGIFYFLFPCXLBL-MRVPVSSYSA-N 0 0 195.228 2.813 10 0 AFAERN C[C@@H]1CC[C@H](Sc2cccnn2)C1 306585999 351948306 /nfs/dbraw/zinc/94/83/06/351948306.db2.gz KSKHWMKUZANONV-BDAKNGLRSA-N 0 0 194.303 2.757 10 0 AFAERN Cc1nc([C@@H]2CCC(=O)[C@H]2C)cs1 306750768 351961474 /nfs/dbraw/zinc/96/14/74/351961474.db2.gz MWWOMMXNHCERHC-POYBYMJQSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1nc([C@@H]2CCC(=O)[C@@H]2C)cs1 306750766 351961516 /nfs/dbraw/zinc/96/15/16/351961516.db2.gz MWWOMMXNHCERHC-HTRCEHHLSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1nc([C@H]2CCC(=O)[C@@H]2C)cs1 306750769 351961655 /nfs/dbraw/zinc/96/16/55/351961655.db2.gz MWWOMMXNHCERHC-SVRRBLITSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1nc([C@H]2CCC(=O)[C@H]2C)cs1 306750770 351961762 /nfs/dbraw/zinc/96/17/62/351961762.db2.gz MWWOMMXNHCERHC-XPUUQOCRSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1ccc(C)c(OC(F)F)c1O 306787979 351965700 /nfs/dbraw/zinc/96/57/00/351965700.db2.gz RFNFYVJANHAYKF-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN C[C@@H]1C[C@@H](C)N1Cc1ccc(Cl)o1 306804226 351966461 /nfs/dbraw/zinc/96/64/61/351966461.db2.gz XLRIEXNXJHMPNX-HTQZYQBOSA-N 0 0 199.681 2.916 10 0 AFAERN CCOc1cc(F)c(C)cc1C 306934486 351975987 /nfs/dbraw/zinc/97/59/87/351975987.db2.gz GXSYIHUONBRJMR-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN Cc1nc(C(=O)[C@H](C)C2CC2)cs1 306934349 351976041 /nfs/dbraw/zinc/97/60/41/351976041.db2.gz GKIBJPSMQOBHOA-ZCFIWIBFSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1nc(C(=O)[C@@H](C)C2CC2)cs1 306934348 351976096 /nfs/dbraw/zinc/97/60/96/351976096.db2.gz GKIBJPSMQOBHOA-LURJTMIESA-N 0 0 195.287 2.680 10 0 AFAERN CC(C)=Cc1nc([C@H]2C[C@H]2C)no1 307077787 351985285 /nfs/dbraw/zinc/98/52/85/351985285.db2.gz GMONNBACQADYNV-SFYZADRCSA-N 0 0 178.235 2.616 10 0 AFAERN CC(C)=Cc1nc([C@@H]2C[C@H]2C)no1 307077772 351985405 /nfs/dbraw/zinc/98/54/05/351985405.db2.gz GMONNBACQADYNV-HTQZYQBOSA-N 0 0 178.235 2.616 10 0 AFAERN CCC(C)(C)c1cscn1 307413122 352010950 /nfs/dbraw/zinc/01/09/50/352010950.db2.gz RQKHMFLDNIHQIW-UHFFFAOYSA-N 0 0 155.266 2.831 10 0 AFAERN Cc1ccc(O)c(OC(F)F)c1C 307522849 352019857 /nfs/dbraw/zinc/01/98/57/352019857.db2.gz CJWGCLKATUVWJY-UHFFFAOYSA-N 0 0 188.173 2.610 10 0 AFAERN Cc1cc(NC(C)C)n(C(C)(C)C)n1 307611831 352025939 /nfs/dbraw/zinc/02/59/39/352025939.db2.gz JYJKGWNRVJKNHO-UHFFFAOYSA-N 0 0 195.310 2.767 10 0 AFAERN COc1cc(F)cc(C(F)F)c1F 307640761 352028073 /nfs/dbraw/zinc/02/80/73/352028073.db2.gz HJRZQQPCPVMDPF-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN COc1cc(F)cc(F)c1C(F)F 307640615 352028092 /nfs/dbraw/zinc/02/80/92/352028092.db2.gz GOEDLJVOKAEDIQ-UHFFFAOYSA-N 0 0 194.127 2.911 10 0 AFAERN C[C@H](CF)Nc1ncc(Cl)s1 307641011 352028235 /nfs/dbraw/zinc/02/82/35/352028235.db2.gz HZHRJRSGFGOHTM-SCSAIBSYSA-N 0 0 194.662 2.566 10 0 AFAERN CCc1cc2nc(C)sc2cc1N 307641158 352028410 /nfs/dbraw/zinc/02/84/10/352028410.db2.gz IFZQUNOMNRXSDR-UHFFFAOYSA-N 0 0 192.287 2.749 10 0 AFAERN CCSCc1ccc(C)nc1C 307707218 352033855 /nfs/dbraw/zinc/03/38/55/352033855.db2.gz HBPWXVCBHPMONT-UHFFFAOYSA-N 0 0 181.304 2.952 10 0 AFAERN Cc1noc(C)c1NCC(C)(C)C 307710702 352034767 /nfs/dbraw/zinc/03/47/67/352034767.db2.gz QQAJYZQMBUEERE-UHFFFAOYSA-N 0 0 182.267 2.749 10 0 AFAERN c1cnnc(SCC2CCCC2)c1 307747471 352037409 /nfs/dbraw/zinc/03/74/09/352037409.db2.gz YUHGKPAEISLNRG-UHFFFAOYSA-N 0 0 194.303 2.759 10 0 AFAERN CCNc1cc(Cl)cc2c1OCC2 307757275 352039632 /nfs/dbraw/zinc/03/96/32/352039632.db2.gz KOMSZZFUTLBQJU-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN CCCCCC(=O)N(C)[C@@H](C)CC 308286184 352047611 /nfs/dbraw/zinc/04/76/11/352047611.db2.gz BZRVXOQMZVPKOL-JTQLQIEISA-N 0 0 185.311 2.824 10 0 AFAERN CCCCCC(=O)N(CC)CCC 308327172 352049456 /nfs/dbraw/zinc/04/94/56/352049456.db2.gz GEYJRQGWHDDLJL-UHFFFAOYSA-N 0 0 185.311 2.825 10 0 AFAERN C[C@@H]1C[C@H]1c1noc(CC2(C)CC2)n1 334146101 352056558 /nfs/dbraw/zinc/05/65/58/352056558.db2.gz BLLROHIFEJYXDE-HTQZYQBOSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@@H]1C[C@@H]1c1noc(CC2(C)CC2)n1 334146103 352057065 /nfs/dbraw/zinc/05/70/65/352057065.db2.gz BLLROHIFEJYXDE-SFYZADRCSA-N 0 0 192.262 2.536 10 0 AFAERN CC(C)CN(C)C(=O)C1=CCCCC1 334171401 352057656 /nfs/dbraw/zinc/05/76/56/352057656.db2.gz AYBBYAOUEXHVDG-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN C[C@@H]1CCCCCN1C(=O)CC1CC1 334338624 352065130 /nfs/dbraw/zinc/06/51/30/352065130.db2.gz YWRKHMYHEGPUAZ-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CC(C)CCC(=O)N1CCCC1(C)C 334376088 352067133 /nfs/dbraw/zinc/06/71/33/352067133.db2.gz DXQQOBZHVZVJGO-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)C[C@H](C)C(=O)N1CC[C@@H](C)C1 334604673 352076190 /nfs/dbraw/zinc/07/61/90/352076190.db2.gz KYYFTQMKGMYNGU-MNOVXSKESA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N1CC[C@@H](C)C1 334604669 352076503 /nfs/dbraw/zinc/07/65/03/352076503.db2.gz KYYFTQMKGMYNGU-GHMZBOCLSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N1CC[C@H](C)C1 334604677 352076653 /nfs/dbraw/zinc/07/66/53/352076653.db2.gz KYYFTQMKGMYNGU-WDEREUQCSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)C(C)(C)C(=O)N1[C@@H](C)C[C@@H]1C 334620156 352076656 /nfs/dbraw/zinc/07/66/56/352076656.db2.gz ZUDSDLKADCPZQV-UWVGGRQHSA-N 0 0 197.322 2.678 10 0 AFAERN CC(C)C[C@H](C)C(=O)N1CC[C@H](C)C1 334604675 352076731 /nfs/dbraw/zinc/07/67/31/352076731.db2.gz KYYFTQMKGMYNGU-QWRGUYRKSA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@@H](C(=O)NC)C1CCC(C)CC1 334668725 352078252 /nfs/dbraw/zinc/07/82/52/352078252.db2.gz GPRXYAHADZOZOF-VQXHTEKXSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@@H](C)CC(=O)N1CCC12CCC2 334786907 352082303 /nfs/dbraw/zinc/08/23/03/352082303.db2.gz BEBXVCSDPUFCJU-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CC(C)CS[C@@H]1CCO[C@@H](C)C1 335027675 352087988 /nfs/dbraw/zinc/08/79/88/352087988.db2.gz GLJHQPNDKBFLNU-VHSXEESVSA-N 0 0 188.336 2.943 10 0 AFAERN C[C@@H]1C[C@@H](SC2CCC2)CCO1 335033285 352088021 /nfs/dbraw/zinc/08/80/21/352088021.db2.gz FQSXEWQLTBEDQP-SCZZXKLOSA-N 0 0 186.320 2.840 10 0 AFAERN C[C@@H]1C[C@@H]1c1noc(CC(C)(C)C)n1 335163216 352089914 /nfs/dbraw/zinc/08/99/14/352089914.db2.gz GVXQOYXCDUBKFJ-SFYZADRCSA-N 0 0 194.278 2.782 10 0 AFAERN C[C@@H]1C[C@H]1c1noc(CC(C)(C)C)n1 335163214 352090552 /nfs/dbraw/zinc/09/05/52/352090552.db2.gz GVXQOYXCDUBKFJ-HTQZYQBOSA-N 0 0 194.278 2.782 10 0 AFAERN CCCCC(=O)N1CC(C)(C)C[C@H]1C 335197422 352091492 /nfs/dbraw/zinc/09/14/92/352091492.db2.gz KUOOILSSVLBNMD-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCC(=O)N1CC(C)(C)C[C@@H]1C 335197421 352091638 /nfs/dbraw/zinc/09/16/38/352091638.db2.gz KUOOILSSVLBNMD-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN C[C@@H](c1noc(C2(C)CC2)n1)C1CC1 335351550 352095057 /nfs/dbraw/zinc/09/50/57/352095057.db2.gz JSWLEWMFGUNTRT-SSDOTTSWSA-N 0 0 192.262 2.635 10 0 AFAERN CC(C)C(C)(C)C(=O)N[C@@H]1CC1(C)C 335412192 352097376 /nfs/dbraw/zinc/09/73/76/352097376.db2.gz GGYASGOPSMHKQK-SECBINFHSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)c1nc(C2(C)CC2)no1 335457575 352098750 /nfs/dbraw/zinc/09/87/50/352098750.db2.gz GVOXOMROAQSROM-SSDOTTSWSA-N 0 0 180.251 2.635 10 0 AFAERN CC(C)=Cc1nc(C2(C)CC2)no1 335459530 352098883 /nfs/dbraw/zinc/09/88/83/352098883.db2.gz RGEYYGLODHREDD-UHFFFAOYSA-N 0 0 178.235 2.544 10 0 AFAERN C[C@@H](OC1CCCCCC1)C(N)=O 335452783 352099140 /nfs/dbraw/zinc/09/91/40/352099140.db2.gz DTAFJTAAWCGSRK-MRVPVSSYSA-N 0 0 185.267 2.650 10 0 AFAERN Cc1nc(N2CCC2)sc1C(C)C 335461949 352099747 /nfs/dbraw/zinc/09/97/47/352099747.db2.gz GFDWJHLAAPNJFY-UHFFFAOYSA-N 0 0 196.319 2.785 10 0 AFAERN CC(C)=CCn1cnc(C(C)(C)C)n1 335594845 352106348 /nfs/dbraw/zinc/10/63/48/352106348.db2.gz BYNCUKBMEBVONU-UHFFFAOYSA-N 0 0 193.294 2.542 10 0 AFAERN CC(C)C[C@H](C)C(=O)N1CCC[C@@H]1C 335732471 352110384 /nfs/dbraw/zinc/11/03/84/352110384.db2.gz NOTZNWVOQDPRBW-QWRGUYRKSA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@@H]1C 335732470 352110406 /nfs/dbraw/zinc/11/04/06/352110406.db2.gz NOTZNWVOQDPRBW-MNOVXSKESA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)C[C@H](C)C(=O)N1CCC[C@H]1C 335732472 352110539 /nfs/dbraw/zinc/11/05/39/352110539.db2.gz NOTZNWVOQDPRBW-WDEREUQCSA-N 0 0 197.322 2.680 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C(=O)CC1CCCC1 335878629 352116516 /nfs/dbraw/zinc/11/65/16/352116516.db2.gz ITRQRWCTNHRKIT-NXEZZACHSA-N 0 0 195.306 2.576 10 0 AFAERN CC(C)C(=O)NC1CC(C(C)(C)C)C1 335974923 352121174 /nfs/dbraw/zinc/12/11/74/352121174.db2.gz QXWAZCIESATILU-UHFFFAOYSA-N 0 0 197.322 2.583 10 0 AFAERN c1ccc([C@@H]2C[C@H]2Cn2ccnc2)cc1 336020032 352122778 /nfs/dbraw/zinc/12/27/78/352122778.db2.gz HQDNSCHMJCSKMP-STQMWFEESA-N 0 0 198.269 2.687 10 0 AFAERN CC[C@@H](C)N(C)C(=O)C1=CCCCC1 336015804 352122833 /nfs/dbraw/zinc/12/28/33/352122833.db2.gz CDDDKDWKSFBCFN-SNVBAGLBSA-N 0 0 195.306 2.744 10 0 AFAERN CC(C)CCC(=O)N1CCC12CCC2 336040012 352124125 /nfs/dbraw/zinc/12/41/25/352124125.db2.gz FTAIHRCKLMDFGN-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CCCC(=O)N1CC2(CCC2)C[C@@H]1C 336135882 352127020 /nfs/dbraw/zinc/12/70/20/352127020.db2.gz PXBFOMAZBFCGFI-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CCCC(=O)N1CC2(CCC2)C[C@H]1C 336135883 352127125 /nfs/dbraw/zinc/12/71/25/352127125.db2.gz PXBFOMAZBFCGFI-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CC(C)CC(=O)N1CC[C@@H](C(C)C)C1 336176229 352128216 /nfs/dbraw/zinc/12/82/16/352128216.db2.gz PDUVXNYIQZQXSQ-LLVKDONJSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)CC(=O)N1CC[C@H](C(C)C)C1 336176230 352128428 /nfs/dbraw/zinc/12/84/28/352128428.db2.gz PDUVXNYIQZQXSQ-NSHDSACASA-N 0 0 197.322 2.537 10 0 AFAERN C[C@@H]1CCCCCN1C(=O)C1(C)CC1 336225154 352130978 /nfs/dbraw/zinc/13/09/78/352130978.db2.gz UCRQVJPNPCMGNF-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN c1ccc(CSC2CCC2)nc1 336275249 352133740 /nfs/dbraw/zinc/13/37/40/352133740.db2.gz HDUUJYCMZFGJME-UHFFFAOYSA-N 0 0 179.288 2.867 10 0 AFAERN c1cc(CSC2CCC2)ccn1 336276789 352133948 /nfs/dbraw/zinc/13/39/48/352133948.db2.gz GVBBBNNTIWXAHX-UHFFFAOYSA-N 0 0 179.288 2.867 10 0 AFAERN CC(C)=Cc1nc(-c2ccco2)no1 336329142 352136875 /nfs/dbraw/zinc/13/68/75/352136875.db2.gz GKFJUXNQIUQOLG-UHFFFAOYSA-N 0 0 190.202 2.753 10 0 AFAERN C[C@@H]1C[C@H]1c1noc(CC2CCC2)n1 336475008 352142924 /nfs/dbraw/zinc/14/29/24/352142924.db2.gz FUWCKAWGTRLGSO-VXNVDRBHSA-N 0 0 192.262 2.536 10 0 AFAERN c1ccc([C@@H]2C[C@H]2Cn2cccn2)cc1 336577646 352149447 /nfs/dbraw/zinc/14/94/47/352149447.db2.gz JVRVYGCYZJHYQK-STQMWFEESA-N 0 0 198.269 2.687 10 0 AFAERN CC(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]1C 336630382 352151251 /nfs/dbraw/zinc/15/12/51/352151251.db2.gz UEOUUHQCMCJLGD-VHSXEESVSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)C(C)(C)C(=O)N[C@H]1CC[C@H]1C 336630383 352151307 /nfs/dbraw/zinc/15/13/07/352151307.db2.gz UEOUUHQCMCJLGD-ZJUUUORDSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]1C 336630380 352151394 /nfs/dbraw/zinc/15/13/94/352151394.db2.gz UEOUUHQCMCJLGD-NXEZZACHSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)C(C)(C)C(=O)N[C@H]1CC[C@@H]1C 336630381 352151411 /nfs/dbraw/zinc/15/14/11/352151411.db2.gz UEOUUHQCMCJLGD-UWVGGRQHSA-N 0 0 197.322 2.583 10 0 AFAERN C/C=C/C=C\c1nc(C2CC2)no1 349602952 352152100 /nfs/dbraw/zinc/15/21/00/352152100.db2.gz HWFPNWRODYTUBY-IAROGAJJSA-N 0 0 176.219 2.536 10 0 AFAERN c1cc(-c2cnc(C3CC3)o2)co1 527534093 352166450 /nfs/dbraw/zinc/16/64/50/352166450.db2.gz ZEAHGDGNBBYTIT-UHFFFAOYSA-N 0 0 175.187 2.812 10 0 AFAERN CN(CC(F)F)CC1CC(C)(C)C1 528375020 352178092 /nfs/dbraw/zinc/17/80/92/352178092.db2.gz YWIVFXBJHPQMEG-UHFFFAOYSA-N 0 0 191.265 2.620 10 0 AFAERN CC1(C)CC(C[N@@H+]2CCC=C(F)C2)C1 528434359 352178777 /nfs/dbraw/zinc/17/87/77/352178777.db2.gz YNPMWERMSUEWCW-UHFFFAOYSA-N 0 0 197.297 2.982 10 0 AFAERN CC(C)CN1CCC[C@H]1C(F)(F)F 528669605 352180712 /nfs/dbraw/zinc/18/07/12/352180712.db2.gz OZEQFBSABFZBLU-QMMMGPOBSA-N 0 0 195.228 2.669 10 0 AFAERN CCCCN1CCC[C@H]1C(F)(F)F 528668232 352180780 /nfs/dbraw/zinc/18/07/80/352180780.db2.gz KBNQLSBBOWJTRN-QMMMGPOBSA-N 0 0 195.228 2.813 10 0 AFAERN CC(C)C(=O)NCC[C@@H]1CC=CCC1 529870941 352184058 /nfs/dbraw/zinc/18/40/58/352184058.db2.gz MGNSVDCQOOTQAA-LLVKDONJSA-N 0 0 195.306 2.505 10 0 AFAERN CCCOCOc1cc(C)ccc1F 530102388 352184993 /nfs/dbraw/zinc/18/49/93/352184993.db2.gz DFUPDWJIEGFUQE-UHFFFAOYSA-N 0 0 198.237 2.897 10 0 AFAERN CC1(C)CC(Cn2cc(Cl)cn2)C1 530105739 352185277 /nfs/dbraw/zinc/18/52/77/352185277.db2.gz YMEKFBGJAAYQJV-UHFFFAOYSA-N 0 0 198.697 2.973 10 0 AFAERN FCCCCCn1ccnc1C1CC1 530129291 352185952 /nfs/dbraw/zinc/18/59/52/352185952.db2.gz GZSIHQRRQOZEBQ-UHFFFAOYSA-N 0 0 196.269 2.900 10 0 AFAERN CCc1cnn(CC2CC(C)(C)C2)c1 530174164 352187001 /nfs/dbraw/zinc/18/70/01/352187001.db2.gz VUHAMNLVDZBHIS-UHFFFAOYSA-N 0 0 192.306 2.882 10 0 AFAERN CC[S@@](C)(=O)=Nc1cccc(C)c1 536950877 352190810 /nfs/dbraw/zinc/19/08/10/352190810.db2.gz LJXNXSHOVPPAHX-CYBMUJFWSA-N 0 0 197.303 2.744 10 0 AFAERN CC[S@](C)(=O)=Nc1cccc(C)c1 536950880 352190943 /nfs/dbraw/zinc/19/09/43/352190943.db2.gz LJXNXSHOVPPAHX-ZDUSSCGKSA-N 0 0 197.303 2.744 10 0 AFAERN N=[S@@](=O)(C1CCCCC1)C1CC1 536957520 352193666 /nfs/dbraw/zinc/19/36/66/352193666.db2.gz HLEZIABJFLPFNT-GFCCVEGCSA-N 0 0 187.308 2.528 10 0 AFAERN CCC[S@@](=N)(=O)C1CCCCC1 536958231 352194158 /nfs/dbraw/zinc/19/41/58/352194158.db2.gz MVLAEHIATISCEA-GFCCVEGCSA-N 0 0 189.324 2.776 10 0 AFAERN CCC[S@](=N)(=O)C1CCCCC1 536958237 352194274 /nfs/dbraw/zinc/19/42/74/352194274.db2.gz MVLAEHIATISCEA-LBPRGKRZSA-N 0 0 189.324 2.776 10 0 AFAERN FC(F)(F)c1c[nH]nc1C1CCC1 536957914 352194296 /nfs/dbraw/zinc/19/42/96/352194296.db2.gz GEPNKCRZMLAICD-UHFFFAOYSA-N 0 0 190.168 2.696 10 0 AFAERN Cc1[nH]nc(C2CC2)c1C(F)(F)F 536959544 352194651 /nfs/dbraw/zinc/19/46/51/352194651.db2.gz LDZBCXCCWLIBKB-UHFFFAOYSA-N 0 0 190.168 2.614 10 0 AFAERN CCCOCc1cccc(F)c1 575191157 352196420 /nfs/dbraw/zinc/19/64/20/352196420.db2.gz HXAFQHRHQRXCDR-UHFFFAOYSA-N 0 0 167.203 2.566 10 0 AFAERN CC(C)Cc1ccccc1 575114459 352195544 /nfs/dbraw/zinc/19/55/44/352195544.db2.gz SHJKNCWZNRPLPV-UHFFFAOYSA-N 0 0 133.214 2.888 10 0 AFAERN Cc1ccc(C)c(C)c1 575110653 352195584 /nfs/dbraw/zinc/19/55/84/352195584.db2.gz VSSPLPTVLKESNR-UHFFFAOYSA-N 0 0 119.187 2.642 10 0 AFAERN c1cc2c3c(cccc3c1)CC2 575110640 352195628 /nfs/dbraw/zinc/19/56/28/352195628.db2.gz UIYQSBWKHBOVAE-UHFFFAOYSA-N 0 0 153.204 2.872 10 0 AFAERN CCSc1ccccc1 575110644 352195635 /nfs/dbraw/zinc/19/56/35/352195635.db2.gz GKWQNGUIWQGXEO-UHFFFAOYSA-N 0 0 137.227 2.553 10 0 AFAERN CCCCOc1ccccc1 575114453 352195708 /nfs/dbraw/zinc/19/57/08/352195708.db2.gz OQKYCKUHLMIGBP-UHFFFAOYSA-N 0 0 149.213 2.616 10 0 AFAERN Cc1cccc(C)c1Cl 575114458 352195722 /nfs/dbraw/zinc/19/57/22/352195722.db2.gz RZVABABPISBEEC-UHFFFAOYSA-N 0 0 139.605 2.818 10 0 AFAERN CC(C)(C)Oc1ccccc1 575114461 352195757 /nfs/dbraw/zinc/19/57/57/352195757.db2.gz WBXPCZQMCCRTIO-UHFFFAOYSA-N 0 0 149.213 2.615 10 0 AFAERN Clc1ccccc1Br 575180732 352196114 /nfs/dbraw/zinc/19/61/14/352196114.db2.gz XPYHWKZBGVHXSQ-UHFFFAOYSA-N 0 0 190.447 2.761 10 0 AFAERN COc1ccccc1OCCC(C)C 575191125 352196047 /nfs/dbraw/zinc/19/60/47/352196047.db2.gz DNYSYLRTCLFDBC-UHFFFAOYSA-N 0 0 193.266 2.836 10 0 AFAERN CC[C@H](C)OCc1ccccc1 575191108 352196065 /nfs/dbraw/zinc/19/60/65/352196065.db2.gz BNJIWWZRYBSFAP-JTQLQIEISA-N 0 0 163.240 2.657 10 0 AFAERN CC(C)Sc1ccccc1 575191148 352196078 /nfs/dbraw/zinc/19/60/78/352196078.db2.gz HAECJONROKWIFY-UHFFFAOYSA-N 0 0 151.254 2.941 10 0 AFAERN CC[C@@H](C)OCc1ccccc1 575191109 352196144 /nfs/dbraw/zinc/19/61/44/352196144.db2.gz BNJIWWZRYBSFAP-SNVBAGLBSA-N 0 0 163.240 2.657 10 0 AFAERN CCCCOc1ccccc1OC 575191169 352196155 /nfs/dbraw/zinc/19/61/55/352196155.db2.gz KFDVQEBJGCDPSG-UHFFFAOYSA-N 0 0 179.239 2.590 10 0 AFAERN CCCCOCc1ccccc1F 575191180 352196166 /nfs/dbraw/zinc/19/61/66/352196166.db2.gz LKKXISOUTPGRSX-UHFFFAOYSA-N 0 0 181.230 2.956 10 0 AFAERN CC[C@@H](C)OCc1ccccc1F 575191098 352196207 /nfs/dbraw/zinc/19/62/07/352196207.db2.gz AHMIFSUXVVITFU-SECBINFHSA-N 0 0 181.230 2.954 10 0 AFAERN CCCCCOc1ccccc1OC 575191106 352196221 /nfs/dbraw/zinc/19/62/21/352196221.db2.gz BGDNZOYCBGKHSF-UHFFFAOYSA-N 0 0 193.266 2.980 10 0 AFAERN CCCCOCc1cccc(F)c1 575191177 352196225 /nfs/dbraw/zinc/19/62/25/352196225.db2.gz LDHUMWZGTLEVEH-UHFFFAOYSA-N 0 0 181.230 2.956 10 0 AFAERN CC[C@H](C)OCc1ccccc1F 575191099 352196244 /nfs/dbraw/zinc/19/62/44/352196244.db2.gz AHMIFSUXVVITFU-VIFPVBQESA-N 0 0 181.230 2.954 10 0 AFAERN CCOCCOc1cc(C)cc(C)c1 575191170 352196361 /nfs/dbraw/zinc/19/63/61/352196361.db2.gz KJTRHEOXIFAACD-UHFFFAOYSA-N 0 0 193.266 2.633 10 0 AFAERN CC(C)OCc1ccccc1F 575191146 352196364 /nfs/dbraw/zinc/19/63/64/352196364.db2.gz GVJJMPVGYYEBNI-UHFFFAOYSA-N 0 0 167.203 2.564 10 0 AFAERN COc1ccccc1OC1CCCC1 575191182 352196377 /nfs/dbraw/zinc/19/63/77/352196377.db2.gz LOHOPGJORHZGOK-UHFFFAOYSA-N 0 0 191.250 2.733 10 0 AFAERN Cc1cc(C)cc(Br)c1 575182141 352196391 /nfs/dbraw/zinc/19/63/91/352196391.db2.gz HNIPLIYTWLHWNT-UHFFFAOYSA-N 0 0 184.056 2.975 10 0 AFAERN c1ccc(OC2CCCC2)cc1 575191206 352196793 /nfs/dbraw/zinc/19/67/93/352196793.db2.gz PLGIBCGJDOMVJU-UHFFFAOYSA-N 0 0 161.224 2.759 10 0 AFAERN COc1ccccc1OC1CCCC1 575191252 352196830 /nfs/dbraw/zinc/19/68/30/352196830.db2.gz UYLYKIVLRBSORH-UHFFFAOYSA-N 0 0 191.250 2.733 10 0 AFAERN CCOc1ccc2ccccc2c1 575191293 352196831 /nfs/dbraw/zinc/19/68/31/352196831.db2.gz ZWKFTKPACGUZGL-UHFFFAOYSA-N 0 0 171.219 2.702 10 0 AFAERN CC[C@@H](C)OCc1cccc(F)c1 575191228 352196839 /nfs/dbraw/zinc/19/68/39/352196839.db2.gz SRMQWGDATZOEHI-SECBINFHSA-N 0 0 181.230 2.954 10 0 AFAERN FCCCCOc1ccccc1 575191299 352196854 /nfs/dbraw/zinc/19/68/54/352196854.db2.gz CWWIGWOAEQQFKR-UHFFFAOYSA-N 0 0 167.203 2.566 10 0 AFAERN Fc1cccc(COCC2CC2)c1 575191217 352196858 /nfs/dbraw/zinc/19/68/58/352196858.db2.gz RFWIBSRWHIMYBM-UHFFFAOYSA-N 0 0 179.214 2.566 10 0 AFAERN COc1ccccc1OCCC(C)C 575191271 352196864 /nfs/dbraw/zinc/19/68/64/352196864.db2.gz WOOOPVUHASKBAN-UHFFFAOYSA-N 0 0 193.266 2.836 10 0 AFAERN CCCOCc1ccccc1F 575191292 352196882 /nfs/dbraw/zinc/19/68/82/352196882.db2.gz ZSKLXAKLNFFOKA-UHFFFAOYSA-N 0 0 167.203 2.566 10 0 AFAERN Cc1cccc(OCCCCF)c1 575191321 352196987 /nfs/dbraw/zinc/19/69/87/352196987.db2.gz QVQIMUCVDCTXGL-UHFFFAOYSA-N 0 0 181.230 2.956 10 0 AFAERN Fc1ccccc1COCC1CC1 575191259 352196989 /nfs/dbraw/zinc/19/69/89/352196989.db2.gz VTKGDSFLDCCPFC-UHFFFAOYSA-N 0 0 179.214 2.566 10 0 AFAERN CC[C@H](C)OCc1cccc(F)c1 575191229 352196997 /nfs/dbraw/zinc/19/69/97/352196997.db2.gz SRMQWGDATZOEHI-VIFPVBQESA-N 0 0 181.230 2.954 10 0 AFAERN CC(C)OCc1cccc(F)c1 575191236 352197010 /nfs/dbraw/zinc/19/70/10/352197010.db2.gz TWCKZFUHRRXXQO-UHFFFAOYSA-N 0 0 167.203 2.564 10 0 AFAERN FCCCCOc1ccccc1F 575191331 352197017 /nfs/dbraw/zinc/19/70/17/352197017.db2.gz VNKAGCARINACBK-UHFFFAOYSA-N 0 0 185.193 2.863 10 0 AFAERN FC(F)(F)c1cccc(Cl)c1 575242934 352197418 /nfs/dbraw/zinc/19/74/18/352197418.db2.gz ZLAIEXKOUFGCOW-UHFFFAOYSA-N 0 0 179.548 2.971 10 0 AFAERN Clc1ccccc1Br 575357078 352197475 /nfs/dbraw/zinc/19/74/75/352197475.db2.gz WDKOUDCARXWZDE-UHFFFAOYSA-N 0 0 190.447 2.761 10 0 AFAERN FC(F)(F)Oc1cccc(Cl)c1 575356990 352197645 /nfs/dbraw/zinc/19/76/45/352197645.db2.gz RBRVNERHNOLUOJ-UHFFFAOYSA-N 0 0 195.547 2.902 10 0 AFAERN Fc1cc(F)c(F)cc1F 575356984 352197669 /nfs/dbraw/zinc/19/76/69/352197669.db2.gz QTVRFCAHXRZVDD-UHFFFAOYSA-N 0 0 149.066 2.661 10 0 AFAERN Cc1cc(CO)cc(OCC(C)C)c1 575423127 352199699 /nfs/dbraw/zinc/19/96/99/352199699.db2.gz QWMQXWQUZKVXKX-UHFFFAOYSA-N 0 0 194.274 2.522 10 0 AFAERN CC(C)(C)c1ccnc(Cl)c1N 575433863 352201665 /nfs/dbraw/zinc/20/16/65/352201665.db2.gz QNPDTEKSGQCPQP-UHFFFAOYSA-N 0 0 184.670 2.615 10 0 AFAERN CC(F)(F)c1cnccc1Cl 575433784 352201745 /nfs/dbraw/zinc/20/17/45/352201745.db2.gz IJEXBWKEUJNCMM-UHFFFAOYSA-N 0 0 177.581 2.847 10 0 AFAERN Cc1c(Cl)nc(Cl)c(N)c1C 575434450 352201947 /nfs/dbraw/zinc/20/19/47/352201947.db2.gz YWNGVNPMQDUFFQ-UHFFFAOYSA-N 0 0 191.061 2.587 10 0 AFAERN CCC1C(=O)Nc2c(C)cccc21 575438728 352203545 /nfs/dbraw/zinc/20/35/45/352203545.db2.gz FBHXMQWAMQXDNY-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN CC(=O)c1cc(O)c(C)cc1Cl 575441948 352205933 /nfs/dbraw/zinc/20/59/33/352205933.db2.gz GRNGHGWMQWJJDW-UHFFFAOYSA-N 0 0 184.622 2.557 10 0 AFAERN CC(F)(F)CNc1ccccc1F 575450389 352209861 /nfs/dbraw/zinc/20/98/61/352209861.db2.gz QKCJQALJADXYAT-UHFFFAOYSA-N 0 0 189.180 2.893 10 0 AFAERN Cc1ncsc1-c1ccc(O)cc1 575450478 352210046 /nfs/dbraw/zinc/21/00/46/352210046.db2.gz GYENUAFJSCHUIC-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ccc2c(c1)CC(=S)N2C 575450539 352210408 /nfs/dbraw/zinc/21/04/08/352210408.db2.gz FBUCJNOEDJUQDJ-UHFFFAOYSA-N 0 0 177.272 2.775 10 0 AFAERN Cc1cccc(-c2ccns2)c1N 575450655 352211273 /nfs/dbraw/zinc/21/12/73/352211273.db2.gz UBFUVJJGYBXVLF-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN c1cc2cc(C[C@H]3CO3)ccc2s1 575451332 352214219 /nfs/dbraw/zinc/21/42/19/352214219.db2.gz DMZLUOHRDIKMTQ-JTQLQIEISA-N 0 0 190.267 2.843 10 0 AFAERN c1cc2cc(C[C@@H]3CO3)ccc2s1 575451333 352214295 /nfs/dbraw/zinc/21/42/95/352214295.db2.gz DMZLUOHRDIKMTQ-SNVBAGLBSA-N 0 0 190.267 2.843 10 0 AFAERN Fc1cc(-c2ccoc2)cnc1F 575451859 352216439 /nfs/dbraw/zinc/21/64/39/352216439.db2.gz OVOYGZLEFAHNKN-UHFFFAOYSA-N 0 0 181.141 2.620 10 0 AFAERN C=Cc1cc(N)cc(Br)c1 575451828 352216442 /nfs/dbraw/zinc/21/64/42/352216442.db2.gz JNZLENNFXYEIBF-UHFFFAOYSA-N 0 0 198.063 2.674 10 0 AFAERN COc1cc(NC2CC2)ccc1C 575452056 352216986 /nfs/dbraw/zinc/21/69/86/352216986.db2.gz BDEXMKPTGBVIIU-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN Cc1ccc(-c2ccco2)c(O)c1 575453264 352219425 /nfs/dbraw/zinc/21/94/25/352219425.db2.gz ABJFGZMBLKZEGP-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN Cc1ccc(-c2ccsc2)c(N)n1 575453522 352220260 /nfs/dbraw/zinc/22/02/60/352220260.db2.gz HYHPCUFJIVRQDO-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN NC(=S)c1cc2cscc2s1 575453518 352220521 /nfs/dbraw/zinc/22/05/21/352220521.db2.gz HPJJYEFGYXADKO-UHFFFAOYSA-N 0 0 199.325 2.597 10 0 AFAERN Clc1ccnc(-c2cncs2)c1 575453684 352221295 /nfs/dbraw/zinc/22/12/95/352221295.db2.gz QSPHENFOTPFHNZ-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Fc1cc(Cl)c2c(c1F)NCC2 575453981 352222657 /nfs/dbraw/zinc/22/26/57/352222657.db2.gz MJCWGSYSUAYFLX-UHFFFAOYSA-N 0 0 189.592 2.586 10 0 AFAERN O=Cc1ccncc1-c1ccsc1 575454678 352225354 /nfs/dbraw/zinc/22/53/54/352225354.db2.gz RNCZKXBGUUCSSD-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN Cc1ccc(C2=CCCC2)c(N)n1 575455416 352226091 /nfs/dbraw/zinc/22/60/91/352226091.db2.gz ATMLGKHLUISFDW-UHFFFAOYSA-N 0 0 174.247 2.540 10 0 AFAERN Cc1cnc(CNc2ccsc2)o1 575455508 352226137 /nfs/dbraw/zinc/22/61/37/352226137.db2.gz IEFCTQWCUQTQEX-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN Clc1n[nH]c([C@H]2CCCC23CC3)n1 575455455 352226311 /nfs/dbraw/zinc/22/63/11/352226311.db2.gz DXUZEWOEXSYRSY-ZCFIWIBFSA-N 0 0 197.669 2.506 10 0 AFAERN Clc1n[nH]c([C@@H]2CCCC23CC3)n1 575455454 352226359 /nfs/dbraw/zinc/22/63/59/352226359.db2.gz DXUZEWOEXSYRSY-LURJTMIESA-N 0 0 197.669 2.506 10 0 AFAERN Cc1cccc(-c2ccc[nH]2)c1N 575455502 352226435 /nfs/dbraw/zinc/22/64/35/352226435.db2.gz KOZVUXMXQFGVCS-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Oc1ccc(-n2cccc2)c(Cl)c1 575455618 352226825 /nfs/dbraw/zinc/22/68/25/352226825.db2.gz PAWKNXHYAYTNRG-UHFFFAOYSA-N 0 0 193.633 2.836 10 0 AFAERN c1cc2c(cc1C1CCC1)CCN2 575455700 352227135 /nfs/dbraw/zinc/22/71/35/352227135.db2.gz YBTYDZGAGNKKPV-UHFFFAOYSA-N 0 0 173.259 2.922 10 0 AFAERN C[C@H](Nc1cccnc1)C1(Cl)CC1 575455907 352227420 /nfs/dbraw/zinc/22/74/20/352227420.db2.gz JENVVUONOIUPMB-QMMMGPOBSA-N 0 0 196.681 2.653 10 0 AFAERN C[C@@H](Nc1cccnc1)C1(Cl)CC1 575455906 352227813 /nfs/dbraw/zinc/22/78/13/352227813.db2.gz JENVVUONOIUPMB-MRVPVSSYSA-N 0 0 196.681 2.653 10 0 AFAERN Cc1cc(F)nc(-c2ccsc2)n1 575456482 352230235 /nfs/dbraw/zinc/23/02/35/352230235.db2.gz STNAELJWWFGDMP-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CC1(C)C[C@@H]1CNc1cccnc1 575456551 352230244 /nfs/dbraw/zinc/23/02/44/352230244.db2.gz UZSIPTVYMPQOAE-SECBINFHSA-N 0 0 176.263 2.540 10 0 AFAERN FC1(F)C[C@@H]1CNc1ccccc1 575456411 352230311 /nfs/dbraw/zinc/23/03/11/352230311.db2.gz KOHFOVVCJXZQJX-MRVPVSSYSA-N 0 0 183.201 2.754 10 0 AFAERN CC1(C)C[C@H]1CNc1cccnc1 575456553 352230403 /nfs/dbraw/zinc/23/04/03/352230403.db2.gz UZSIPTVYMPQOAE-VIFPVBQESA-N 0 0 176.263 2.540 10 0 AFAERN FC1(F)C[C@H]1CNc1ccccc1 575456420 352230489 /nfs/dbraw/zinc/23/04/89/352230489.db2.gz KOHFOVVCJXZQJX-QMMMGPOBSA-N 0 0 183.201 2.754 10 0 AFAERN Cc1ccc(-c2cnc(F)nc2)s1 575457554 352232434 /nfs/dbraw/zinc/23/24/34/352232434.db2.gz IAUOXYQUEBGDFC-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cl/C=C(/Cl)CN[C@H]1C=CCC1 575458227 352235530 /nfs/dbraw/zinc/23/55/30/352235530.db2.gz HCNVXPURKYYSQB-IVGLGHLBSA-N 0 0 192.089 2.614 10 0 AFAERN Cl/C=C(/Cl)CN[C@@H]1C=CCC1 575458228 352235597 /nfs/dbraw/zinc/23/55/97/352235597.db2.gz HCNVXPURKYYSQB-WVXIBAHESA-N 0 0 192.089 2.614 10 0 AFAERN C1=C[C@@H]2[C@@H](C1)C[C@H]2Nc1cnsc1 575458405 352236350 /nfs/dbraw/zinc/23/63/50/352236350.db2.gz RVAGUNIZLQZTHZ-FXBDTBDDSA-N 0 0 192.287 2.520 10 0 AFAERN C1=C[C@@H]2[C@H](C1)C[C@H]2Nc1cnsc1 575458426 352237116 /nfs/dbraw/zinc/23/71/16/352237116.db2.gz RVAGUNIZLQZTHZ-SZEHBUNVSA-N 0 0 192.287 2.520 10 0 AFAERN C1=C[C@@H]2[C@@H](C1)C[C@@H]2Nc1cnsc1 575458425 352237188 /nfs/dbraw/zinc/23/71/88/352237188.db2.gz RVAGUNIZLQZTHZ-SFGNSQDASA-N 0 0 192.287 2.520 10 0 AFAERN C1=C[C@H]2[C@@H](Nc3cnsc3)C[C@H]2C1 575458424 352237193 /nfs/dbraw/zinc/23/71/93/352237193.db2.gz RVAGUNIZLQZTHZ-QNSHHTMESA-N 0 0 192.287 2.520 10 0 AFAERN Cn1c(CC2=CCCC2)cnc1Cl 575458841 352238803 /nfs/dbraw/zinc/23/88/03/352238803.db2.gz ZRZISLOXGRQANL-UHFFFAOYSA-N 0 0 196.681 2.726 10 0 AFAERN Cc1cc(-c2nccc(F)n2)cs1 575459400 352241022 /nfs/dbraw/zinc/24/10/22/352241022.db2.gz HDRTWDBAOVFEPA-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CC(=O)c1cccc(C(F)F)c1F 575459611 352241617 /nfs/dbraw/zinc/24/16/17/352241617.db2.gz OAIMUUKRQQPSBG-UHFFFAOYSA-N 0 0 188.148 2.966 10 0 AFAERN C1=CC[C@H](CNc2cnsc2)CC1 575460764 352244385 /nfs/dbraw/zinc/24/43/85/352244385.db2.gz RSVMJQAIAAIPCW-VIFPVBQESA-N 0 0 194.303 2.911 10 0 AFAERN C1=CC[C@@H](CNc2cnsc2)CC1 575460759 352244714 /nfs/dbraw/zinc/24/47/14/352244714.db2.gz RSVMJQAIAAIPCW-SECBINFHSA-N 0 0 194.303 2.911 10 0 AFAERN CCCc1nc(F)c(C)c(Cl)n1 575460879 352245427 /nfs/dbraw/zinc/24/54/27/352245427.db2.gz FOIOFIDJVDCERI-UHFFFAOYSA-N 0 0 188.633 2.530 10 0 AFAERN Nc1cc(F)ccc1-c1cncs1 575461049 352245843 /nfs/dbraw/zinc/24/58/43/352245843.db2.gz YTFZHFVNCHKAGP-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Clc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 575461788 352248872 /nfs/dbraw/zinc/24/88/72/352248872.db2.gz NAQMEPOJNATXBZ-QYNIQEEDSA-N 0 0 198.653 2.627 10 0 AFAERN Clc1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 575461789 352248993 /nfs/dbraw/zinc/24/89/93/352248993.db2.gz NAQMEPOJNATXBZ-RRKCRQDMSA-N 0 0 198.653 2.627 10 0 AFAERN Fc1nccc(SC2CCCC2)n1 575462757 352252846 /nfs/dbraw/zinc/25/28/46/352252846.db2.gz LAHNFWVSZWHPOO-UHFFFAOYSA-N 0 0 198.266 2.650 10 0 AFAERN c1cc(CNc2cnsc2)cs1 575462669 352252993 /nfs/dbraw/zinc/25/29/93/352252993.db2.gz NHXZTHBDQOVUIT-UHFFFAOYSA-N 0 0 196.300 2.817 10 0 AFAERN Nc1ccc(-c2cncs2)c(F)c1 575463302 352254537 /nfs/dbraw/zinc/25/45/37/352254537.db2.gz BXOVGOKCEJUKFB-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1cc(C2CCC(=O)CC2)sn1 575463657 352256120 /nfs/dbraw/zinc/25/61/20/352256120.db2.gz LFPDNFWFNLIBPW-UHFFFAOYSA-N 0 0 195.287 2.678 10 0 AFAERN FC(F)(F)c1sccc1[C@@H]1CO1 575463975 352256691 /nfs/dbraw/zinc/25/66/91/352256691.db2.gz JVGABMGZKCLKPI-YFKPBYRVSA-N 0 0 194.177 2.838 10 0 AFAERN FC(F)(F)c1sccc1[C@H]1CO1 575463967 352256990 /nfs/dbraw/zinc/25/69/90/352256990.db2.gz JVGABMGZKCLKPI-RXMQYKEDSA-N 0 0 194.177 2.838 10 0 AFAERN Cc1csc2c(C)cc(=O)[nH]c12 575464452 352258950 /nfs/dbraw/zinc/25/89/50/352258950.db2.gz ZVZWXSXEFUWDPT-UHFFFAOYSA-N 0 0 179.244 2.619 10 0 AFAERN Fc1cc(-c2ccco2)cnc1F 575465637 352263719 /nfs/dbraw/zinc/26/37/19/352263719.db2.gz HOIYNNCYLBLVMD-UHFFFAOYSA-N 0 0 181.141 2.620 10 0 AFAERN Cc1ccc(-c2ccsn2)c(O)c1 575466670 352267233 /nfs/dbraw/zinc/26/72/33/352267233.db2.gz ZZKKZBKNOCJHKR-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Clc1sccc1CC[C@@H]1CO1 575466776 352268186 /nfs/dbraw/zinc/26/81/86/352268186.db2.gz QBMSNMVYISEYSL-SSDOTTSWSA-N 0 0 188.679 2.733 10 0 AFAERN Clc1sccc1CC[C@H]1CO1 575466777 352268210 /nfs/dbraw/zinc/26/82/10/352268210.db2.gz QBMSNMVYISEYSL-ZETCQYMHSA-N 0 0 188.679 2.733 10 0 AFAERN Oc1ccc(-c2cncs2)cc1F 575466766 352268384 /nfs/dbraw/zinc/26/83/84/352268384.db2.gz NTSUWXUKELAGMQ-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Cc1cc2c(c(C)c1Cl)CCN2 575467747 352272580 /nfs/dbraw/zinc/27/25/80/352272580.db2.gz RDULRVFISDOVSW-UHFFFAOYSA-N 0 0 181.666 2.925 10 0 AFAERN Cc1ccsc1-c1nccc(F)n1 575468164 352273513 /nfs/dbraw/zinc/27/35/13/352273513.db2.gz DRMTUHBHEWPVRY-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN C1=C(CNc2ccccc2)CSC1 575468219 352274232 /nfs/dbraw/zinc/27/42/32/352274232.db2.gz YMAMOGCRGQZTPI-UHFFFAOYSA-N 0 0 191.299 2.772 10 0 AFAERN Cc1cc(F)nc(-c2cccs2)n1 575468440 352274975 /nfs/dbraw/zinc/27/49/75/352274975.db2.gz DQOMEBNTLBVMMN-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1cccc(-c2ccsn2)c1N 575468870 352277415 /nfs/dbraw/zinc/27/74/15/352277415.db2.gz WRMRDBQVNPZXBX-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@H](Nc1cnsc1)C(F)(F)F 575469283 352278735 /nfs/dbraw/zinc/27/87/35/352278735.db2.gz KYHIJZXURJMBNU-BYPYZUCNSA-N 0 0 196.197 2.506 10 0 AFAERN C[C@@H](Nc1cnsc1)C(F)(F)F 575469286 352278772 /nfs/dbraw/zinc/27/87/72/352278772.db2.gz KYHIJZXURJMBNU-SCSAIBSYSA-N 0 0 196.197 2.506 10 0 AFAERN Cn1c(CC2CC=CC2)cnc1Cl 575469707 352280216 /nfs/dbraw/zinc/28/02/16/352280216.db2.gz WNOUMHLYRZYACF-UHFFFAOYSA-N 0 0 196.681 2.582 10 0 AFAERN Nc1ncc(-c2cccs2)cc1F 575472157 352289401 /nfs/dbraw/zinc/28/94/01/352289401.db2.gz CDTJSALYTHJATG-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Clc1cccc(-c2cncs2)n1 575472111 352289483 /nfs/dbraw/zinc/28/94/83/352289483.db2.gz VOOMSVOWNWTUNM-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Fc1cc(C2=CCCC2)cnc1F 575472146 352289537 /nfs/dbraw/zinc/28/95/37/352289537.db2.gz GVZVZYRRKILGIV-UHFFFAOYSA-N 0 0 181.185 2.927 10 0 AFAERN Cc1ccc(-c2cscn2)c(O)c1 575472348 352290220 /nfs/dbraw/zinc/29/02/20/352290220.db2.gz YTBOSKMHPXZAOQ-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc(-c2cncs2)ccc1O 575472427 352291135 /nfs/dbraw/zinc/29/11/35/352291135.db2.gz LVALIGLNKJTFFX-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CCc1ccc(CC)c2c1CCN2 575478203 352294659 /nfs/dbraw/zinc/29/46/59/352294659.db2.gz GWDKMUBJKYPMOC-UHFFFAOYSA-N 0 0 175.275 2.779 10 0 AFAERN CC(C)Cc1c(F)cc(N)cc1F 575478261 352294714 /nfs/dbraw/zinc/29/47/14/352294714.db2.gz WKGMIGMTGSSDBL-UHFFFAOYSA-N 0 0 185.217 2.746 10 0 AFAERN Nc1ccnc2c(Cl)c(F)ccc12 575478234 352294792 /nfs/dbraw/zinc/29/47/92/352294792.db2.gz OMHQPHHMNVXEJU-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN FCCNc1cccc(F)c1Cl 575478252 352294862 /nfs/dbraw/zinc/29/48/62/352294862.db2.gz SFELGAITCJKLRH-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN CCNc1cccc(C2CC2)c1 575478837 352297470 /nfs/dbraw/zinc/29/74/70/352297470.db2.gz COLZEONHEAHYDL-UHFFFAOYSA-N 0 0 161.248 2.996 10 0 AFAERN Cc1cccc(-c2cnsc2)c1N 575479051 352298653 /nfs/dbraw/zinc/29/86/53/352298653.db2.gz DUKQUEIMVMKFST-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cscc1N[C@H]1COC[C@@H]1C 575479290 352299329 /nfs/dbraw/zinc/29/93/29/352299329.db2.gz CPLKHVXUFIIGHP-CBAPKCEASA-N 0 0 197.303 2.503 10 0 AFAERN Cc1cscc1N[C@H]1COC[C@H]1C 575479281 352299372 /nfs/dbraw/zinc/29/93/72/352299372.db2.gz CPLKHVXUFIIGHP-APPZFPTMSA-N 0 0 197.303 2.503 10 0 AFAERN Cc1cscc1N[C@@H]1COC[C@H]1C 575479292 352299911 /nfs/dbraw/zinc/29/99/11/352299911.db2.gz CPLKHVXUFIIGHP-VXNVDRBHSA-N 0 0 197.303 2.503 10 0 AFAERN Cc1cscc1N[C@@H]1COC[C@@H]1C 575479291 352300101 /nfs/dbraw/zinc/30/01/01/352300101.db2.gz CPLKHVXUFIIGHP-IONNQARKSA-N 0 0 197.303 2.503 10 0 AFAERN Cc1csc(N[C@]23CCC[C@H]2C3)n1 575479989 352302801 /nfs/dbraw/zinc/30/28/01/352302801.db2.gz JRUOBRZWGRPMKP-WPRPVWTQSA-N 0 0 194.303 2.806 10 0 AFAERN Cc1csc(N[C@@]23CCC[C@@H]2C3)n1 575479983 352302827 /nfs/dbraw/zinc/30/28/27/352302827.db2.gz JRUOBRZWGRPMKP-PSASIEDQSA-N 0 0 194.303 2.806 10 0 AFAERN c1csc(NC[C@]23CCC[C@H]2C3)n1 575480021 352302925 /nfs/dbraw/zinc/30/29/25/352302925.db2.gz JWWVSVMCMCCCFQ-WCBMZHEXSA-N 0 0 194.303 2.745 10 0 AFAERN c1csc(NC[C@@]23CCC[C@@H]2C3)n1 575480019 352302942 /nfs/dbraw/zinc/30/29/42/352302942.db2.gz JWWVSVMCMCCCFQ-SCZZXKLOSA-N 0 0 194.303 2.745 10 0 AFAERN CC[C@H]1COC[C@H]1Nc1ccsc1 575480106 352303262 /nfs/dbraw/zinc/30/32/62/352303262.db2.gz HDAJGOGTIWVQJU-WCBMZHEXSA-N 0 0 197.303 2.585 10 0 AFAERN CC[C@@H]1COC[C@@H]1Nc1ccsc1 575480105 352303572 /nfs/dbraw/zinc/30/35/72/352303572.db2.gz HDAJGOGTIWVQJU-SCZZXKLOSA-N 0 0 197.303 2.585 10 0 AFAERN CC[C@H]1COC[C@@H]1Nc1ccsc1 575480108 352303614 /nfs/dbraw/zinc/30/36/14/352303614.db2.gz HDAJGOGTIWVQJU-WPRPVWTQSA-N 0 0 197.303 2.585 10 0 AFAERN CC[C@@H]1COC[C@H]1Nc1ccsc1 575480102 352303665 /nfs/dbraw/zinc/30/36/65/352303665.db2.gz HDAJGOGTIWVQJU-PSASIEDQSA-N 0 0 197.303 2.585 10 0 AFAERN CCc1cc(NC2CC2)ccc1F 575481043 352309082 /nfs/dbraw/zinc/30/90/82/352309082.db2.gz PTJZRGVHKTXCSZ-UHFFFAOYSA-N 0 0 179.238 2.962 10 0 AFAERN Cc1cccc(-c2ccco2)c1N 575481756 352312600 /nfs/dbraw/zinc/31/26/00/352312600.db2.gz TZKVXYHYVWWRDH-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN Cc1cccc(-c2cscn2)c1N 575482105 352313856 /nfs/dbraw/zinc/31/38/56/352313856.db2.gz VPNAOROYZNJWIQ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN c1csc(N[C@@]23CCCC[C@@H]2C3)n1 575482331 352315138 /nfs/dbraw/zinc/31/51/38/352315138.db2.gz WFCGVYKXOQCYRO-PSASIEDQSA-N 0 0 194.303 2.888 10 0 AFAERN c1csc(N[C@]23CCCC[C@H]2C3)n1 575482348 352315190 /nfs/dbraw/zinc/31/51/90/352315190.db2.gz WFCGVYKXOQCYRO-WPRPVWTQSA-N 0 0 194.303 2.888 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)[C@H]1CCCSCC1 575482427 352315754 /nfs/dbraw/zinc/31/57/54/352315754.db2.gz CJBBVJMLMFRHRL-UTLUCORTSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)[C@@H]1CCCSCC1 575482383 352315762 /nfs/dbraw/zinc/31/57/62/352315762.db2.gz CJBBVJMLMFRHRL-BBBLOLIVSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)[C@H]1CCCSCC1 575482423 352315997 /nfs/dbraw/zinc/31/59/97/352315997.db2.gz CJBBVJMLMFRHRL-KXUCPTDWSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)[C@@H]1CCCSCC1 575482426 352316025 /nfs/dbraw/zinc/31/60/25/352316025.db2.gz CJBBVJMLMFRHRL-OPRDCNLKSA-N 0 0 198.331 2.745 10 0 AFAERN CC(C)C(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575484973 352329008 /nfs/dbraw/zinc/32/90/08/352329008.db2.gz XKCGTAVNDHMMAB-RNLVFQAGSA-N 0 0 188.217 2.503 10 0 AFAERN CC(=O)c1cnc([C@@H]2CC23CC3)s1 575485796 352332844 /nfs/dbraw/zinc/33/28/44/352332844.db2.gz CTKKYBJMWPNCAU-ZETCQYMHSA-N 0 0 193.271 2.613 10 0 AFAERN CC(=O)c1cnc([C@H]2CC23CC3)s1 575485792 352332854 /nfs/dbraw/zinc/33/28/54/352332854.db2.gz CTKKYBJMWPNCAU-SSDOTTSWSA-N 0 0 193.271 2.613 10 0 AFAERN CC(C)C(C)(C)Nc1nccs1 575485772 352332944 /nfs/dbraw/zinc/33/29/44/352332944.db2.gz CKMFQPBZPNKODD-UHFFFAOYSA-N 0 0 184.308 2.990 10 0 AFAERN CC1(C(=O)[C@@H]2CCCSCC2)CC1 575485868 352333009 /nfs/dbraw/zinc/33/30/09/352333009.db2.gz RRGQWGGILBZIGA-SECBINFHSA-N 0 0 198.331 2.889 10 0 AFAERN CC1(C(=O)[C@H]2CCCSCC2)CC1 575485869 352333069 /nfs/dbraw/zinc/33/30/69/352333069.db2.gz RRGQWGGILBZIGA-VIFPVBQESA-N 0 0 198.331 2.889 10 0 AFAERN O=C(c1ccsc1)[C@@H]1CC12CC2 575485957 352333396 /nfs/dbraw/zinc/33/33/96/352333396.db2.gz DJKFFHFGMNPSKS-QMMMGPOBSA-N 0 0 178.256 2.731 10 0 AFAERN O=C(c1cccs1)[C@H]1CC12CC2 575485965 352333479 /nfs/dbraw/zinc/33/34/79/352333479.db2.gz DOVBPFNPVCICKO-SSDOTTSWSA-N 0 0 178.256 2.731 10 0 AFAERN O=C(c1cccs1)[C@@H]1CC12CC2 575485968 352333543 /nfs/dbraw/zinc/33/35/43/352333543.db2.gz DOVBPFNPVCICKO-ZETCQYMHSA-N 0 0 178.256 2.731 10 0 AFAERN O=C(C1CCCC1)[C@@H]1CC12CC2 575485972 352333605 /nfs/dbraw/zinc/33/36/05/352333605.db2.gz DPKYNLCWSQHHMQ-VIFPVBQESA-N 0 0 164.248 2.546 10 0 AFAERN CC1CC(C(=O)[C@@H]2CCCCS2)C1 575485896 352333733 /nfs/dbraw/zinc/33/37/33/352333733.db2.gz CHBSPKFFICWWSF-RTBKNWGFSA-N 0 0 198.331 2.887 10 0 AFAERN O=C(C1CCCC1)[C@H]1CC12CC2 575485971 352333771 /nfs/dbraw/zinc/33/37/71/352333771.db2.gz DPKYNLCWSQHHMQ-SECBINFHSA-N 0 0 164.248 2.546 10 0 AFAERN O=C(c1ccsc1)[C@H]1CC12CC2 575485955 352333792 /nfs/dbraw/zinc/33/37/92/352333792.db2.gz DJKFFHFGMNPSKS-MRVPVSSYSA-N 0 0 178.256 2.731 10 0 AFAERN CC1CC(C(=O)[C@H]2CCCCS2)C1 575485905 352333825 /nfs/dbraw/zinc/33/38/25/352333825.db2.gz CHBSPKFFICWWSF-UDNWOFFPSA-N 0 0 198.331 2.887 10 0 AFAERN CC(C)C(=O)C1CC2(CCC2)C1 575486239 352335210 /nfs/dbraw/zinc/33/52/10/352335210.db2.gz GXGKKLSBHBUAFU-UHFFFAOYSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1nc([C@H]2C[C@@H]3C[C@@H]3C2)c(N)s1 575486277 352336075 /nfs/dbraw/zinc/33/60/75/352336075.db2.gz BSHGCVBJOUSSPX-RNLVFQAGSA-N 0 0 194.303 2.547 10 0 AFAERN CC(C)C(C)(C)Nc1ccccn1 575486351 352336278 /nfs/dbraw/zinc/33/62/78/352336278.db2.gz GHUMBXHIXBXIEP-UHFFFAOYSA-N 0 0 178.279 2.928 10 0 AFAERN CSc1nccc2ccc(N)cc12 575486484 352336769 /nfs/dbraw/zinc/33/67/69/352336769.db2.gz HJOJFBAXVVYIST-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN Cc1cocc1C(=O)[C@@H]1CC12CC2 575486536 352337420 /nfs/dbraw/zinc/33/74/20/352337420.db2.gz IDBZKKVDOPXEPC-VIFPVBQESA-N 0 0 176.215 2.571 10 0 AFAERN Cc1cocc1C(=O)[C@H]1CC12CC2 575486530 352337651 /nfs/dbraw/zinc/33/76/51/352337651.db2.gz IDBZKKVDOPXEPC-SECBINFHSA-N 0 0 176.215 2.571 10 0 AFAERN O=C(C1CCC1)C1CC2(CCC2)C1 575486743 352339172 /nfs/dbraw/zinc/33/91/72/352339172.db2.gz LLOFJKXGXGYCJQ-UHFFFAOYSA-N 0 0 178.275 2.936 10 0 AFAERN CCC(=O)C1CC2(CCC2)C1 575487163 352341303 /nfs/dbraw/zinc/34/13/03/352341303.db2.gz QHRBVAJPSXQQEW-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CC1CC(C(=O)c2ccco2)C1 575487416 352342680 /nfs/dbraw/zinc/34/26/80/352342680.db2.gz SPLOARZODDBFQA-UHFFFAOYSA-N 0 0 164.204 2.508 10 0 AFAERN C/C=C/CNc1cncc(Cl)c1 575487443 352343272 /nfs/dbraw/zinc/34/32/72/352343272.db2.gz CVUCADLYCVDFEB-NSCUHMNNSA-N 0 0 182.654 2.723 10 0 AFAERN O=C(C1CC1)C1CC2(CCC2)C1 575487542 352343284 /nfs/dbraw/zinc/34/32/84/352343284.db2.gz UMPDLGVKICFTRX-UHFFFAOYSA-N 0 0 164.248 2.546 10 0 AFAERN Nc1scnc1[C@@H]1CC[C@@H]2C[C@@H]2C1 575487571 352344106 /nfs/dbraw/zinc/34/41/06/352344106.db2.gz RKVQCUAPQBPYEE-BWZBUEFSSA-N 0 0 194.303 2.629 10 0 AFAERN Nc1scnc1[C@@H]1CC[C@H]2C[C@H]2C1 575487585 352344126 /nfs/dbraw/zinc/34/41/26/352344126.db2.gz RKVQCUAPQBPYEE-RNJXMRFFSA-N 0 0 194.303 2.629 10 0 AFAERN CC1CC(C(=O)[C@@]2(C)CCCS2)C1 575487763 352344543 /nfs/dbraw/zinc/34/45/43/352344543.db2.gz VVOUTVCQFBMZKM-NWGYLPEXSA-N 0 0 198.331 2.887 10 0 AFAERN Clc1cncc(NC2CCC2)c1 575487773 352344651 /nfs/dbraw/zinc/34/46/51/352344651.db2.gz HKTOIDMLSUGGCD-UHFFFAOYSA-N 0 0 182.654 2.699 10 0 AFAERN CC1CC(C(=O)[C@]2(C)CCCS2)C1 575487761 352344682 /nfs/dbraw/zinc/34/46/82/352344682.db2.gz VVOUTVCQFBMZKM-AMUVOQDHSA-N 0 0 198.331 2.887 10 0 AFAERN CC[C@@H](C)Nc1cncc(Cl)c1 575487702 352344787 /nfs/dbraw/zinc/34/47/87/352344787.db2.gz GSTAMQQCUMVGID-SSDOTTSWSA-N 0 0 184.670 2.945 10 0 AFAERN Cc1ccc(C(=O)C2CC(C)C2)o1 575487877 352345424 /nfs/dbraw/zinc/34/54/24/352345424.db2.gz WVEKSDZGVGKJAY-UHFFFAOYSA-N 0 0 178.231 2.817 10 0 AFAERN CC1CC(C(=O)C2CCSCC2)C1 575487986 352346330 /nfs/dbraw/zinc/34/63/30/352346330.db2.gz XTVUHULTKBDCHY-UHFFFAOYSA-N 0 0 198.331 2.745 10 0 AFAERN CSc1nccc2c(N)cccc12 575487977 352346377 /nfs/dbraw/zinc/34/63/77/352346377.db2.gz OREWWQRXRMWVPR-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CC1CC(C(=O)c2cccs2)C1 575488120 352347016 /nfs/dbraw/zinc/34/70/16/352347016.db2.gz ZLWYTZWDEMTTBT-UHFFFAOYSA-N 0 0 180.272 2.977 10 0 AFAERN O=C(C1CCCCC1)[C@@H]1CC12CC2 575488220 352347577 /nfs/dbraw/zinc/34/75/77/352347577.db2.gz QHTVIUBRELXMLY-JTQLQIEISA-N 0 0 178.275 2.936 10 0 AFAERN O=C(C1CCCCC1)[C@H]1CC12CC2 575488221 352347610 /nfs/dbraw/zinc/34/76/10/352347610.db2.gz QHTVIUBRELXMLY-SNVBAGLBSA-N 0 0 178.275 2.936 10 0 AFAERN CC(=O)c1csc([C@H]2CC23CC3)n1 575488302 352348046 /nfs/dbraw/zinc/34/80/46/352348046.db2.gz RXDYCCIJIUYPKB-SSDOTTSWSA-N 0 0 193.271 2.613 10 0 AFAERN CC(=O)c1csc([C@@H]2CC23CC3)n1 575488305 352348185 /nfs/dbraw/zinc/34/81/85/352348185.db2.gz RXDYCCIJIUYPKB-ZETCQYMHSA-N 0 0 193.271 2.613 10 0 AFAERN CC(C)C(C)(C)Nc1ncc(N)s1 575488670 352349935 /nfs/dbraw/zinc/34/99/35/352349935.db2.gz VSGBVFOZKNSYJY-UHFFFAOYSA-N 0 0 199.323 2.572 10 0 AFAERN Clc1cncc(NCC2CCC2)c1 575488661 352350014 /nfs/dbraw/zinc/35/00/14/352350014.db2.gz PQQAXFLIXPMELC-UHFFFAOYSA-N 0 0 196.681 2.947 10 0 AFAERN CCCNc1cncc(Cl)c1C 575489040 352351176 /nfs/dbraw/zinc/35/11/76/352351176.db2.gz WIGNWDMDANSRQM-UHFFFAOYSA-N 0 0 184.670 2.865 10 0 AFAERN Cc1c(Cl)cncc1NC1CC1 575488922 352351253 /nfs/dbraw/zinc/35/12/53/352351253.db2.gz SWRVNPLYNAIUNV-UHFFFAOYSA-N 0 0 182.654 2.618 10 0 AFAERN CCc1cc(F)ccc1C(C)=O 575489142 352352078 /nfs/dbraw/zinc/35/20/78/352352078.db2.gz ZWCYCWYTELSZPJ-UHFFFAOYSA-N 0 0 166.195 2.591 10 0 AFAERN CC(=O)[C@@H]1CCCCC[C@@H]1C 575489591 352353840 /nfs/dbraw/zinc/35/38/40/352353840.db2.gz KRPPKAWFQFPCGK-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)[C@H]1CCCCC[C@H]1C 575489590 352353913 /nfs/dbraw/zinc/35/39/13/352353913.db2.gz KRPPKAWFQFPCGK-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)[C@H]1CCCCC[C@@H]1C 575489592 352354050 /nfs/dbraw/zinc/35/40/50/352354050.db2.gz KRPPKAWFQFPCGK-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)[C@@H]1CCCCC[C@H]1C 575489589 352354083 /nfs/dbraw/zinc/35/40/83/352354083.db2.gz KRPPKAWFQFPCGK-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1CCCCC[C@]1(N)C(F)(F)F 575489792 352354564 /nfs/dbraw/zinc/35/45/64/352354564.db2.gz MOPWBVSYCLQIFX-HTQZYQBOSA-N 0 0 195.228 2.846 10 0 AFAERN C[C@H]1CCCCC[C@@]1(N)C(F)(F)F 575489795 352354569 /nfs/dbraw/zinc/35/45/69/352354569.db2.gz MOPWBVSYCLQIFX-YUMQZZPRSA-N 0 0 195.228 2.846 10 0 AFAERN C[C@H]1CCCCC[C@]1(N)C(F)(F)F 575489793 352354699 /nfs/dbraw/zinc/35/46/99/352354699.db2.gz MOPWBVSYCLQIFX-JGVFFNPUSA-N 0 0 195.228 2.846 10 0 AFAERN C[C@@H]1CCCCC[C@@]1(N)C(F)(F)F 575489794 352354716 /nfs/dbraw/zinc/35/47/16/352354716.db2.gz MOPWBVSYCLQIFX-SFYZADRCSA-N 0 0 195.228 2.846 10 0 AFAERN Cc1ncc(-c2ccoc2C=O)s1 575490284 352356650 /nfs/dbraw/zinc/35/66/50/352356650.db2.gz CAHZLGJBSDFCCJ-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1ncc(C(=O)[C@H]2CC2(C)C)s1 575490444 352357400 /nfs/dbraw/zinc/35/74/00/352357400.db2.gz FFRWZRCBICPMAS-SSDOTTSWSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncc(C(=O)[C@@H]2CC2(C)C)s1 575490445 352357526 /nfs/dbraw/zinc/35/75/26/352357526.db2.gz FFRWZRCBICPMAS-ZETCQYMHSA-N 0 0 195.287 2.680 10 0 AFAERN CC1CC(C(=O)C2CCCC2)C1 575490461 352357673 /nfs/dbraw/zinc/35/76/73/352357673.db2.gz FOCCPXMIGZIWDJ-UHFFFAOYSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ncc([C@@H]2CCCC(=O)C2)s1 575490498 352357995 /nfs/dbraw/zinc/35/79/95/352357995.db2.gz GFGSZFJZONQZAH-MRVPVSSYSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1ncc([C@H]2CCCC(=O)C2)s1 575490499 352358017 /nfs/dbraw/zinc/35/80/17/352358017.db2.gz GFGSZFJZONQZAH-QMMMGPOBSA-N 0 0 195.287 2.678 10 0 AFAERN CC1CC(C(=O)c2ccoc2)C1 575490695 352358934 /nfs/dbraw/zinc/35/89/34/352358934.db2.gz JVERQSPXVPDBOI-UHFFFAOYSA-N 0 0 164.204 2.508 10 0 AFAERN Cc1ncsc1C(=O)C1CC(C)C1 575490745 352358998 /nfs/dbraw/zinc/35/89/98/352358998.db2.gz KXSKNHMBQZORHZ-UHFFFAOYSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncc(C(=O)C2CC(C)C2)s1 575490968 352360475 /nfs/dbraw/zinc/36/04/75/352360475.db2.gz PRIDZPFWQVICLI-UHFFFAOYSA-N 0 0 195.287 2.680 10 0 AFAERN CC1CC(C(=O)c2ccsc2)C1 575491161 352360767 /nfs/dbraw/zinc/36/07/67/352360767.db2.gz RRZJHTNQYRTIOU-UHFFFAOYSA-N 0 0 180.272 2.977 10 0 AFAERN CC[C@H](C)C(=O)C1CC(C)C1 575491231 352361463 /nfs/dbraw/zinc/36/14/63/352361463.db2.gz SZYIMUDCEHZDEY-MGURRDGZSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1nc(C(=O)C2CC(C)C2)cs1 575491138 352361051 /nfs/dbraw/zinc/36/10/51/352361051.db2.gz RGUXBLFMVOAUHU-UHFFFAOYSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1cocc1C(=O)C1CC(C)C1 575491248 352361441 /nfs/dbraw/zinc/36/14/41/352361441.db2.gz UFEULFLAIJFGID-UHFFFAOYSA-N 0 0 178.231 2.817 10 0 AFAERN CC[C@@H](C)C(=O)C1CC(C)C1 575491233 352361523 /nfs/dbraw/zinc/36/15/23/352361523.db2.gz SZYIMUDCEHZDEY-QJAFJHJLSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cc(C(=O)C2CC(C)C2)sn1 575491403 352361817 /nfs/dbraw/zinc/36/18/17/352361817.db2.gz VGBBTGSEFUXMPM-UHFFFAOYSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncc([C@H]2CCC(=O)[C@@H]2C)s1 575491436 352361845 /nfs/dbraw/zinc/36/18/45/352361845.db2.gz WGHFDZPSWIXXMS-SVRRBLITSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1ncc([C@@H]2CCC(=O)[C@H]2C)s1 575491434 352361923 /nfs/dbraw/zinc/36/19/23/352361923.db2.gz WGHFDZPSWIXXMS-POYBYMJQSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1ncc([C@H]2CCC(=O)[C@H]2C)s1 575491438 352362025 /nfs/dbraw/zinc/36/20/25/352362025.db2.gz WGHFDZPSWIXXMS-XPUUQOCRSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1ncc([C@@H]2CCC(=O)[C@@H]2C)s1 575491428 352362058 /nfs/dbraw/zinc/36/20/58/352362058.db2.gz WGHFDZPSWIXXMS-HTRCEHHLSA-N 0 0 195.287 2.534 10 0 AFAERN CC(C)C[C@@H]1[NH2+]CCc2ccoc21 575491520 352362764 /nfs/dbraw/zinc/36/27/64/352362764.db2.gz KDNTXSOTQJSWHO-JTQLQIEISA-N 0 0 179.263 2.513 10 0 AFAERN CC(C)C[C@H]1[NH2+]CCc2ccoc21 575491521 352362768 /nfs/dbraw/zinc/36/27/68/352362768.db2.gz KDNTXSOTQJSWHO-SNVBAGLBSA-N 0 0 179.263 2.513 10 0 AFAERN Cc1ncc([C@@H]2CCCCC2=O)s1 575491741 352364305 /nfs/dbraw/zinc/36/43/05/352364305.db2.gz ZVGFMFHFAIABGZ-MRVPVSSYSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1ncc([C@H]2CCCCC2=O)s1 575491743 352364428 /nfs/dbraw/zinc/36/44/28/352364428.db2.gz ZVGFMFHFAIABGZ-QMMMGPOBSA-N 0 0 195.287 2.678 10 0 AFAERN C[C@H](Nc1cnsc1)C1CCC1 575492334 352366899 /nfs/dbraw/zinc/36/68/99/352366899.db2.gz BWVZIDJCGXFEIU-ZETCQYMHSA-N 0 0 182.292 2.744 10 0 AFAERN Cc1occc1CNc1cnsc1 575492341 352367030 /nfs/dbraw/zinc/36/70/30/352367030.db2.gz CFLPLDMKVREYID-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN C[C@@H](Nc1cnsc1)C1CCC1 575492333 352367152 /nfs/dbraw/zinc/36/71/52/352367152.db2.gz BWVZIDJCGXFEIU-SSDOTTSWSA-N 0 0 182.292 2.744 10 0 AFAERN C1=C[C@H]2C[C@@H]1C[C@H]2Nc1cnsc1 575492390 352367695 /nfs/dbraw/zinc/36/76/95/352367695.db2.gz FFJYXPQNRJCYKQ-KHQFGBGNSA-N 0 0 192.287 2.520 10 0 AFAERN C1=C[C@H]2C[C@@H]1C[C@@H]2Nc1cnsc1 575492391 352367776 /nfs/dbraw/zinc/36/77/76/352367776.db2.gz FFJYXPQNRJCYKQ-WEDXCCLWSA-N 0 0 192.287 2.520 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](C)Nc1cnsc1 575492754 352368948 /nfs/dbraw/zinc/36/89/48/352368948.db2.gz KYTSUECEVCRMIZ-BHNWBGBOSA-N 0 0 182.292 2.600 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](C)Nc1cnsc1 575492760 352368999 /nfs/dbraw/zinc/36/89/99/352368999.db2.gz KYTSUECEVCRMIZ-ZXFLCMHBSA-N 0 0 182.292 2.600 10 0 AFAERN C[C@H](Nc1cnsc1)[C@H]1C[C@H]1C 575492758 352369088 /nfs/dbraw/zinc/36/90/88/352369088.db2.gz KYTSUECEVCRMIZ-FJXKBIBVSA-N 0 0 182.292 2.600 10 0 AFAERN C[C@H](Nc1cnsc1)[C@@H]1C[C@H]1C 575492757 352369268 /nfs/dbraw/zinc/36/92/68/352369268.db2.gz KYTSUECEVCRMIZ-BKPPORCPSA-N 0 0 182.292 2.600 10 0 AFAERN c1nscc1NC1CCCCC1 575493150 352370878 /nfs/dbraw/zinc/37/08/78/352370878.db2.gz BKGKUPSXNLGQNZ-UHFFFAOYSA-N 0 0 182.292 2.888 10 0 AFAERN CC1(C)CC[C@@H]1Nc1cnsc1 575493146 352371089 /nfs/dbraw/zinc/37/10/89/352371089.db2.gz BFDGMQSUGAGSNF-QMMMGPOBSA-N 0 0 182.292 2.744 10 0 AFAERN CC1(C)CC[C@H]1Nc1cnsc1 575493143 352371143 /nfs/dbraw/zinc/37/11/43/352371143.db2.gz BFDGMQSUGAGSNF-MRVPVSSYSA-N 0 0 182.292 2.744 10 0 AFAERN C[C@@H](Nc1cnsc1)C1(C)CC1 575493255 352371469 /nfs/dbraw/zinc/37/14/69/352371469.db2.gz CVLANBFQFHKRHA-SSDOTTSWSA-N 0 0 182.292 2.744 10 0 AFAERN c1csc(CNc2cnsc2)c1 575493263 352371573 /nfs/dbraw/zinc/37/15/73/352371573.db2.gz CXCGRZIEMKRALH-UHFFFAOYSA-N 0 0 196.300 2.817 10 0 AFAERN C[C@H](Nc1cnsc1)C1(C)CC1 575493256 352371598 /nfs/dbraw/zinc/37/15/98/352371598.db2.gz CVLANBFQFHKRHA-ZETCQYMHSA-N 0 0 182.292 2.744 10 0 AFAERN c1nscc1NCC1CCCC1 575493278 352371682 /nfs/dbraw/zinc/37/16/82/352371682.db2.gz DNNMGXMQAQLFRZ-UHFFFAOYSA-N 0 0 182.292 2.745 10 0 AFAERN Cc1ccoc1CNc1cnsc1 575493277 352371736 /nfs/dbraw/zinc/37/17/36/352371736.db2.gz DLJOEDQEYDSAQF-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN C[C@@H](Nc1cnsc1)c1ccco1 575493349 352372040 /nfs/dbraw/zinc/37/20/40/352372040.db2.gz FUSKDDQKKMICKX-SSDOTTSWSA-N 0 0 194.259 2.909 10 0 AFAERN C[C@H](Nc1cnsc1)c1ccco1 575493356 352372194 /nfs/dbraw/zinc/37/21/94/352372194.db2.gz FUSKDDQKKMICKX-ZETCQYMHSA-N 0 0 194.259 2.909 10 0 AFAERN CC[C@@H](C)CNc1cnsc1 575493425 352372871 /nfs/dbraw/zinc/37/28/71/352372871.db2.gz ISLGTPYCFUFDDK-SSDOTTSWSA-N 0 0 170.281 2.601 10 0 AFAERN CC[C@H](C)CNc1cnsc1 575493427 352372922 /nfs/dbraw/zinc/37/29/22/352372922.db2.gz ISLGTPYCFUFDDK-ZETCQYMHSA-N 0 0 170.281 2.601 10 0 AFAERN C[C@@H]1CC[C@@H](Nc2cnsc2)C1 575493774 352374140 /nfs/dbraw/zinc/37/41/40/352374140.db2.gz LYESYXVFJJRLKP-HTQZYQBOSA-N 0 0 182.292 2.744 10 0 AFAERN C[C@H]1CC[C@@H](Nc2cnsc2)C1 575493775 352374203 /nfs/dbraw/zinc/37/42/03/352374203.db2.gz LYESYXVFJJRLKP-JGVFFNPUSA-N 0 0 182.292 2.744 10 0 AFAERN C[C@@H](Nc1cnsc1)c1ccoc1 575493751 352374245 /nfs/dbraw/zinc/37/42/45/352374245.db2.gz LFHGEDYQTVNZME-SSDOTTSWSA-N 0 0 194.259 2.909 10 0 AFAERN C[C@H](Nc1cnsc1)c1ccoc1 575493752 352374261 /nfs/dbraw/zinc/37/42/61/352374261.db2.gz LFHGEDYQTVNZME-ZETCQYMHSA-N 0 0 194.259 2.909 10 0 AFAERN C[C@@H]1CCC[C@H]1Nc1cnsc1 575493741 352374368 /nfs/dbraw/zinc/37/43/68/352374368.db2.gz KOJYZRGJZIRUCO-VXNVDRBHSA-N 0 0 182.292 2.744 10 0 AFAERN C[C@H]1CC[C@H](Nc2cnsc2)C1 575493777 352374427 /nfs/dbraw/zinc/37/44/27/352374427.db2.gz LYESYXVFJJRLKP-YUMQZZPRSA-N 0 0 182.292 2.744 10 0 AFAERN C[C@H]1CCC[C@H]1Nc1cnsc1 575493740 352374460 /nfs/dbraw/zinc/37/44/60/352374460.db2.gz KOJYZRGJZIRUCO-IONNQARKSA-N 0 0 182.292 2.744 10 0 AFAERN C[C@@H]1CC[C@H](Nc2cnsc2)C1 575493776 352374471 /nfs/dbraw/zinc/37/44/71/352374471.db2.gz LYESYXVFJJRLKP-SFYZADRCSA-N 0 0 182.292 2.744 10 0 AFAERN CC(C)C1CC(Nc2cnsc2)C1 575494145 352377241 /nfs/dbraw/zinc/37/72/41/352377241.db2.gz SNSAFJPFLSADKP-UHFFFAOYSA-N 0 0 196.319 2.990 10 0 AFAERN C[C@@H]1CCC[C@@H]1Nc1cnsc1 575493738 352374492 /nfs/dbraw/zinc/37/44/92/352374492.db2.gz KOJYZRGJZIRUCO-APPZFPTMSA-N 0 0 182.292 2.744 10 0 AFAERN C[C@H]1CCC[C@@H]1Nc1cnsc1 575493739 352374507 /nfs/dbraw/zinc/37/45/07/352374507.db2.gz KOJYZRGJZIRUCO-CBAPKCEASA-N 0 0 182.292 2.744 10 0 AFAERN CC(C)(C)CNc1cnsc1 575493881 352375018 /nfs/dbraw/zinc/37/50/18/352375018.db2.gz PFIMQXOQJXJWSA-UHFFFAOYSA-N 0 0 170.281 2.601 10 0 AFAERN CC(C)CCNc1cnsc1 575493806 352375116 /nfs/dbraw/zinc/37/51/16/352375116.db2.gz MQTOTHMZDYMTNG-UHFFFAOYSA-N 0 0 170.281 2.601 10 0 AFAERN c1nscc1N[C@@H]1CCC[C@@H]2C[C@@H]21 575493921 352375495 /nfs/dbraw/zinc/37/54/95/352375495.db2.gz PVAGFZHZXRRYOL-FKTZTGRPSA-N 0 0 194.303 2.744 10 0 AFAERN c1nscc1N[C@H]1CCC[C@H]2C[C@H]21 575493926 352375633 /nfs/dbraw/zinc/37/56/33/352375633.db2.gz PVAGFZHZXRRYOL-SFGNSQDASA-N 0 0 194.303 2.744 10 0 AFAERN c1nscc1N[C@@H]1CCC[C@H]2C[C@H]21 575493924 352375697 /nfs/dbraw/zinc/37/56/97/352375697.db2.gz PVAGFZHZXRRYOL-FXBDTBDDSA-N 0 0 194.303 2.744 10 0 AFAERN FC1(F)C[C@@H]1CNc1ccsc1 575494102 352376573 /nfs/dbraw/zinc/37/65/73/352376573.db2.gz MAGCORHNNCYGHR-ZCFIWIBFSA-N 0 0 189.230 2.815 10 0 AFAERN FC1(F)C[C@H]1CNc1ccsc1 575494101 352376581 /nfs/dbraw/zinc/37/65/81/352376581.db2.gz MAGCORHNNCYGHR-LURJTMIESA-N 0 0 189.230 2.815 10 0 AFAERN CCC[C@H](C)Nc1cnsc1 575494138 352377049 /nfs/dbraw/zinc/37/70/49/352377049.db2.gz RPUFALFNKHRADJ-ZETCQYMHSA-N 0 0 170.281 2.744 10 0 AFAERN CCC(CC)Nc1cnsc1 575494225 352377037 /nfs/dbraw/zinc/37/70/37/352377037.db2.gz XHSKLRFAXWSPKY-UHFFFAOYSA-N 0 0 170.281 2.744 10 0 AFAERN CC(C)[C@@H](C)Nc1cnsc1 575494147 352377123 /nfs/dbraw/zinc/37/71/23/352377123.db2.gz UCNFEMSCBXBTDA-SSDOTTSWSA-N 0 0 170.281 2.600 10 0 AFAERN C[C@@H]1[C@@H](Nc2cnsc2)C[C@H]1C 575494239 352377196 /nfs/dbraw/zinc/37/71/96/352377196.db2.gz XNVKYUBRCOLHNT-FJXKBIBVSA-N 0 0 182.292 2.600 10 0 AFAERN C[C@@H]1C[C@H](Nc2cnsc2)[C@@H]1C 575494237 352377208 /nfs/dbraw/zinc/37/72/08/352377208.db2.gz XNVKYUBRCOLHNT-BHNWBGBOSA-N 0 0 182.292 2.600 10 0 AFAERN C[C@H]1[C@H](C)C[C@H]1Nc1cnsc1 575494238 352377255 /nfs/dbraw/zinc/37/72/55/352377255.db2.gz XNVKYUBRCOLHNT-BKPPORCPSA-N 0 0 182.292 2.600 10 0 AFAERN CCC[C@@H](C)Nc1cnsc1 575494136 352377295 /nfs/dbraw/zinc/37/72/95/352377295.db2.gz RPUFALFNKHRADJ-SSDOTTSWSA-N 0 0 170.281 2.744 10 0 AFAERN C[C@@H]1C[C@@H](Nc2cnsc2)[C@@H]1C 575494240 352377304 /nfs/dbraw/zinc/37/73/04/352377304.db2.gz XNVKYUBRCOLHNT-ZXFLCMHBSA-N 0 0 182.292 2.600 10 0 AFAERN CC(C)[C@H](C)Nc1cnsc1 575494149 352377370 /nfs/dbraw/zinc/37/73/70/352377370.db2.gz UCNFEMSCBXBTDA-ZETCQYMHSA-N 0 0 170.281 2.600 10 0 AFAERN C[C@H](Nc1cnsc1)[C@@H]1CC1(C)C 575494302 352377925 /nfs/dbraw/zinc/37/79/25/352377925.db2.gz XDPQHWWJDOGXQH-CBAPKCEASA-N 0 0 196.319 2.990 10 0 AFAERN C[C@@H](Nc1cnsc1)[C@@H]1CC1(C)C 575494301 352378004 /nfs/dbraw/zinc/37/80/04/352378004.db2.gz XDPQHWWJDOGXQH-APPZFPTMSA-N 0 0 196.319 2.990 10 0 AFAERN C[C@@H](Nc1cnsc1)[C@H]1CC1(C)C 575494305 352378017 /nfs/dbraw/zinc/37/80/17/352378017.db2.gz XDPQHWWJDOGXQH-VXNVDRBHSA-N 0 0 196.319 2.990 10 0 AFAERN CC1(C)CC(Nc2cnsc2)C1 575494327 352378057 /nfs/dbraw/zinc/37/80/57/352378057.db2.gz XUMDJSHFBPRPBZ-UHFFFAOYSA-N 0 0 182.292 2.744 10 0 AFAERN C[C@H](Nc1cnsc1)[C@H]1CC1(C)C 575494304 352378075 /nfs/dbraw/zinc/37/80/75/352378075.db2.gz XDPQHWWJDOGXQH-IONNQARKSA-N 0 0 196.319 2.990 10 0 AFAERN CC(C)[C@@H](O)c1cc(N)cc(Cl)c1 575494538 352378645 /nfs/dbraw/zinc/37/86/45/352378645.db2.gz MVMPRWDBJGQQOO-SNVBAGLBSA-N 0 0 199.681 2.612 10 0 AFAERN CC(C)[C@H](O)c1cc(N)cc(Cl)c1 575494534 352378948 /nfs/dbraw/zinc/37/89/48/352378948.db2.gz MVMPRWDBJGQQOO-JTQLQIEISA-N 0 0 199.681 2.612 10 0 AFAERN O=C(C1CCC1)[C@@H]1CCC[C@@H]2C[C@@H]21 575495765 352382699 /nfs/dbraw/zinc/38/26/99/352382699.db2.gz BBQBXPHEDXGOQV-MXWKQRLJSA-N 0 0 178.275 2.792 10 0 AFAERN O=C(C1CCC1)[C@@H]1CCC[C@H]2C[C@H]21 575495764 352382736 /nfs/dbraw/zinc/38/27/36/352382736.db2.gz BBQBXPHEDXGOQV-HBNTYKKESA-N 0 0 178.275 2.792 10 0 AFAERN Nc1csc([C@@H]2CCC[C@@H]3C[C@@H]32)n1 575496543 352385908 /nfs/dbraw/zinc/38/59/08/352385908.db2.gz OLEOZKYSQMQKTB-PRJMDXOYSA-N 0 0 194.303 2.629 10 0 AFAERN Nc1csc([C@@H]2CCC[C@H]3C[C@H]32)n1 575496545 352386075 /nfs/dbraw/zinc/38/60/75/352386075.db2.gz OLEOZKYSQMQKTB-XLPZGREQSA-N 0 0 194.303 2.629 10 0 AFAERN Cc1cc(Cl)cnc1NC1CC1 575496554 352386133 /nfs/dbraw/zinc/38/61/33/352386133.db2.gz OQNJSLSXEJSWAM-UHFFFAOYSA-N 0 0 182.654 2.618 10 0 AFAERN O=C1CCCC[C@@H]1C[C@H]1CC1(F)F 575497396 352389459 /nfs/dbraw/zinc/38/94/59/352389459.db2.gz UUGHMWGMDPKRAR-SFYZADRCSA-N 0 0 188.217 2.791 10 0 AFAERN CC(C)CC(=O)[C@H]1CC[C@H]1C 575497364 352389466 /nfs/dbraw/zinc/38/94/66/352389466.db2.gz XIYLBDGKZOLIHS-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN O=C1CCCC[C@H]1C[C@@H]1CC1(F)F 575497326 352389485 /nfs/dbraw/zinc/38/94/85/352389485.db2.gz UUGHMWGMDPKRAR-JGVFFNPUSA-N 0 0 188.217 2.791 10 0 AFAERN CC(C)CC(=O)[C@@H]1CC[C@@H]1C 575497365 352389597 /nfs/dbraw/zinc/38/95/97/352389597.db2.gz XIYLBDGKZOLIHS-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN O=C1CCCC[C@@H]1C[C@@H]1CC1(F)F 575497325 352389598 /nfs/dbraw/zinc/38/95/98/352389598.db2.gz UUGHMWGMDPKRAR-HTQZYQBOSA-N 0 0 188.217 2.791 10 0 AFAERN CC(C)CC(=O)[C@H]1CC[C@@H]1C 575497366 352389617 /nfs/dbraw/zinc/38/96/17/352389617.db2.gz XIYLBDGKZOLIHS-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)CC(=O)C1CC(C)C1 575497394 352389645 /nfs/dbraw/zinc/38/96/45/352389645.db2.gz XQLLPOBPDMTBOP-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN O=C1CCCC[C@H]1C[C@H]1CC1(F)F 575497399 352389665 /nfs/dbraw/zinc/38/96/65/352389665.db2.gz UUGHMWGMDPKRAR-YUMQZZPRSA-N 0 0 188.217 2.791 10 0 AFAERN CC(C)CC(=O)[C@@H]1CC[C@H]1C 575497367 352389723 /nfs/dbraw/zinc/38/97/23/352389723.db2.gz XIYLBDGKZOLIHS-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cc(Cl)cnc1N[C@H]1C[C@@H]1C 575497521 352390293 /nfs/dbraw/zinc/39/02/93/352390293.db2.gz YUDPVJPXMUMVTK-RCOVLWMOSA-N 0 0 196.681 2.864 10 0 AFAERN Cc1cc(Cl)cnc1N[C@@H]1C[C@@H]1C 575497517 352390353 /nfs/dbraw/zinc/39/03/53/352390353.db2.gz YUDPVJPXMUMVTK-IMTBSYHQSA-N 0 0 196.681 2.864 10 0 AFAERN Cc1cc(Cl)cnc1N[C@@H]1C[C@H]1C 575497509 352390370 /nfs/dbraw/zinc/39/03/70/352390370.db2.gz YUDPVJPXMUMVTK-HZGVNTEJSA-N 0 0 196.681 2.864 10 0 AFAERN Cc1cc(Cl)cnc1N[C@H]1C[C@H]1C 575497519 352390439 /nfs/dbraw/zinc/39/04/39/352390439.db2.gz YUDPVJPXMUMVTK-MUWHJKNJSA-N 0 0 196.681 2.864 10 0 AFAERN O=C(c1ccsc1)[C@@H]1C[C@@H]2C[C@@H]2C1 575500105 352405161 /nfs/dbraw/zinc/40/51/61/352405161.db2.gz IOJDVURQFFEFRW-MYJAWHEDSA-N 0 0 192.283 2.977 10 0 AFAERN CC[C@]1(C)C(=O)C[C@@H]1C1(Cl)CC1 575500300 352405945 /nfs/dbraw/zinc/40/59/45/352405945.db2.gz KPJUVIBOXORCOE-CBAPKCEASA-N 0 0 186.682 2.763 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@@H]1C1(Cl)CC1 575500302 352406022 /nfs/dbraw/zinc/40/60/22/352406022.db2.gz KPJUVIBOXORCOE-IONNQARKSA-N 0 0 186.682 2.763 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@H]1C1(Cl)CC1 575500305 352406128 /nfs/dbraw/zinc/40/61/28/352406128.db2.gz KPJUVIBOXORCOE-VXNVDRBHSA-N 0 0 186.682 2.763 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]1C1(Cl)CC1 575500290 352406267 /nfs/dbraw/zinc/40/62/67/352406267.db2.gz KPJUVIBOXORCOE-APPZFPTMSA-N 0 0 186.682 2.763 10 0 AFAERN O=C(c1ccoc1)[C@@H]1C[C@@H]2C[C@@H]2C1 575500952 352409458 /nfs/dbraw/zinc/40/94/58/352409458.db2.gz RCUJFQHSPQYWJS-MYJAWHEDSA-N 0 0 176.215 2.508 10 0 AFAERN O=C(C1CCCC1)[C@@H]1C[C@@H]2C[C@@H]2C1 575501320 352410813 /nfs/dbraw/zinc/41/08/13/352410813.db2.gz YDHKNHLBQXKOLZ-URLYPYJESA-N 0 0 178.275 2.792 10 0 AFAERN Nc1cscc1C1(Cl)CC1 575501229 352410907 /nfs/dbraw/zinc/41/09/07/352410907.db2.gz TVCYOCQZIVEXQK-UHFFFAOYSA-N 0 0 173.668 2.558 10 0 AFAERN CC(C)(C)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 575501353 352411696 /nfs/dbraw/zinc/41/16/96/352411696.db2.gz YVACYUBOAOEPEK-BRPSZJMVSA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)[C@H](C)CC1CC=CC1 575502029 352415405 /nfs/dbraw/zinc/41/54/05/352415405.db2.gz SVEZTLQVQNDINF-MRVPVSSYSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@@H](C)CC1CC=CC1 575502031 352415567 /nfs/dbraw/zinc/41/55/67/352415567.db2.gz SVEZTLQVQNDINF-QMMMGPOBSA-N 0 0 152.237 2.568 10 0 AFAERN O=C1CCC[C@@H]1CC1CC=CC1 575502170 352416148 /nfs/dbraw/zinc/41/61/48/352416148.db2.gz UKVZPXRHFASFDU-SNVBAGLBSA-N 0 0 164.248 2.712 10 0 AFAERN O=C1CCC[C@H]1CC1CC=CC1 575502168 352416168 /nfs/dbraw/zinc/41/61/68/352416168.db2.gz UKVZPXRHFASFDU-JTQLQIEISA-N 0 0 164.248 2.712 10 0 AFAERN Cc1csc(N[C@@H]2C=CCC2)n1 575503048 352419928 /nfs/dbraw/zinc/41/99/28/352419928.db2.gz APDXZJFFGXSPOP-MRVPVSSYSA-N 0 0 180.276 2.582 10 0 AFAERN Cc1csc(N[C@H]2C=CCC2)n1 575503049 352419937 /nfs/dbraw/zinc/41/99/37/352419937.db2.gz APDXZJFFGXSPOP-QMMMGPOBSA-N 0 0 180.276 2.582 10 0 AFAERN Cc1ccc(N[C@H]2C=CCC2)nc1 575503543 352422909 /nfs/dbraw/zinc/42/29/09/352422909.db2.gz UQACFZKJJJEYSL-JTQLQIEISA-N 0 0 174.247 2.521 10 0 AFAERN Cc1cccnc1N[C@H]1C=CCC1 575503535 352423128 /nfs/dbraw/zinc/42/31/28/352423128.db2.gz UGINXHIIUIXGFY-JTQLQIEISA-N 0 0 174.247 2.521 10 0 AFAERN Cc1cccnc1N[C@@H]1C=CCC1 575503536 352423162 /nfs/dbraw/zinc/42/31/62/352423162.db2.gz UGINXHIIUIXGFY-SNVBAGLBSA-N 0 0 174.247 2.521 10 0 AFAERN Cc1ccc(N[C@@H]2C=CCC2)nc1 575503544 352423429 /nfs/dbraw/zinc/42/34/29/352423429.db2.gz UQACFZKJJJEYSL-SNVBAGLBSA-N 0 0 174.247 2.521 10 0 AFAERN O=C1CC[C@@H](CC2CC=CC2)C1 575504300 352426851 /nfs/dbraw/zinc/42/68/51/352426851.db2.gz GOVKHOYZFNBNKY-JTQLQIEISA-N 0 0 164.248 2.712 10 0 AFAERN O=C1CC[C@H](CC2CC=CC2)C1 575504302 352426971 /nfs/dbraw/zinc/42/69/71/352426971.db2.gz GOVKHOYZFNBNKY-SNVBAGLBSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@H]1CCC12CCCC2 575504768 352428246 /nfs/dbraw/zinc/42/82/46/352428246.db2.gz FFBMAQDRGAGWIP-SECBINFHSA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)C(=O)[C@@H](C)C1CCC1 575504671 352428260 /nfs/dbraw/zinc/42/82/60/352428260.db2.gz MIPKRDCCTXWBGS-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)[C@@H]1CCC12CCCC2 575504769 352428451 /nfs/dbraw/zinc/42/84/51/352428451.db2.gz FFBMAQDRGAGWIP-VIFPVBQESA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)C(=O)[C@H](C)C1CCC1 575504670 352428554 /nfs/dbraw/zinc/42/85/54/352428554.db2.gz MIPKRDCCTXWBGS-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)[C@@H]1CCC12CCCC2 575505043 352429843 /nfs/dbraw/zinc/42/98/43/352429843.db2.gz ITIONHZQBFTIHH-VIFPVBQESA-N 0 0 166.264 2.936 10 0 AFAERN CCC(=O)[C@H]1CCC12CCCC2 575505042 352429853 /nfs/dbraw/zinc/42/98/53/352429853.db2.gz ITIONHZQBFTIHH-SECBINFHSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1CC1CC=CC1 575505229 352430064 /nfs/dbraw/zinc/43/00/64/352430064.db2.gz WJEMQRRZLSIJHL-GXSJLCMTSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1CC1CC=CC1 575505236 352430192 /nfs/dbraw/zinc/43/01/92/352430192.db2.gz WJEMQRRZLSIJHL-MWLCHTKSSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1CC1CC=CC1 575505231 352430242 /nfs/dbraw/zinc/43/02/42/352430242.db2.gz WJEMQRRZLSIJHL-KOLCDFICSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1CC1CC=CC1 575505238 352430438 /nfs/dbraw/zinc/43/04/38/352430438.db2.gz WJEMQRRZLSIJHL-ONGXEEELSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1ccsc1-c1ncc(C=O)o1 575505205 352430486 /nfs/dbraw/zinc/43/04/86/352430486.db2.gz MUJDXTQKVJJESQ-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN C[C@@H](Nc1cnsc1)C(C)(C)C 575506010 352433096 /nfs/dbraw/zinc/43/30/96/352433096.db2.gz WQAZUNSUIYTTTE-SSDOTTSWSA-N 0 0 184.308 2.990 10 0 AFAERN C[C@H](Nc1cnsc1)C(C)(C)C 575506012 352433114 /nfs/dbraw/zinc/43/31/14/352433114.db2.gz WQAZUNSUIYTTTE-ZETCQYMHSA-N 0 0 184.308 2.990 10 0 AFAERN CC(C)C(=O)[C@H](C)C1(Cl)CC1 575506053 352433149 /nfs/dbraw/zinc/43/31/49/352433149.db2.gz WZVRSXBOAQXQKX-ZETCQYMHSA-N 0 0 174.671 2.619 10 0 AFAERN CC(C)C(=O)[C@@H](C)C1(Cl)CC1 575506052 352433265 /nfs/dbraw/zinc/43/32/65/352433265.db2.gz WZVRSXBOAQXQKX-SSDOTTSWSA-N 0 0 174.671 2.619 10 0 AFAERN CC[C@@H]1C[C@@H](Nc2ccsc2)CO1 575509216 352452096 /nfs/dbraw/zinc/45/20/96/352452096.db2.gz MLUREDLQGFKEFC-NXEZZACHSA-N 0 0 197.303 2.728 10 0 AFAERN CC[C@H]1C[C@@H](Nc2ccsc2)CO1 575509229 352452532 /nfs/dbraw/zinc/45/25/32/352452532.db2.gz MLUREDLQGFKEFC-ZJUUUORDSA-N 0 0 197.303 2.728 10 0 AFAERN CC[C@@H]1C[C@H](Nc2ccsc2)CO1 575509227 352452537 /nfs/dbraw/zinc/45/25/37/352452537.db2.gz MLUREDLQGFKEFC-VHSXEESVSA-N 0 0 197.303 2.728 10 0 AFAERN CC[C@H]1C[C@H](Nc2ccsc2)CO1 575509224 352452554 /nfs/dbraw/zinc/45/25/54/352452554.db2.gz MLUREDLQGFKEFC-UWVGGRQHSA-N 0 0 197.303 2.728 10 0 AFAERN CC(=O)[C@H]1CCCC2(CC2)C1 575511173 352464540 /nfs/dbraw/zinc/46/45/40/352464540.db2.gz CEZLCELYTZQLQG-VIFPVBQESA-N 0 0 152.237 2.546 10 0 AFAERN CC(=O)[C@@H]1CCCC2(CC2)C1 575511172 352464692 /nfs/dbraw/zinc/46/46/92/352464692.db2.gz CEZLCELYTZQLQG-SECBINFHSA-N 0 0 152.237 2.546 10 0 AFAERN O=C(C1CC1)C1CCC2(CC1)CC2 575511617 352466908 /nfs/dbraw/zinc/46/69/08/352466908.db2.gz GUYULLQSNWMPSC-UHFFFAOYSA-N 0 0 178.275 2.936 10 0 AFAERN [NH3+][C@@]1(C(F)F)CCCC[C@@H]1C1CC1 575512156 352470825 /nfs/dbraw/zinc/47/08/25/352470825.db2.gz LERSCPVSGHQQAD-SCZZXKLOSA-N 0 0 189.249 2.549 10 0 AFAERN [NH3+][C@]1(C(F)F)CCCC[C@H]1C1CC1 575512157 352470851 /nfs/dbraw/zinc/47/08/51/352470851.db2.gz LERSCPVSGHQQAD-WCBMZHEXSA-N 0 0 189.249 2.549 10 0 AFAERN [NH3+][C@]1(C(F)F)CCCC[C@@H]1C1CC1 575512155 352470906 /nfs/dbraw/zinc/47/09/06/352470906.db2.gz LERSCPVSGHQQAD-PSASIEDQSA-N 0 0 189.249 2.549 10 0 AFAERN CCC(=O)[C@H]1CCCC2(CC2)C1 575512124 352470967 /nfs/dbraw/zinc/47/09/67/352470967.db2.gz KSXRFWPZAGSGQY-VIFPVBQESA-N 0 0 166.264 2.936 10 0 AFAERN CCC(=O)[C@@H]1CCCC2(CC2)C1 575512123 352471049 /nfs/dbraw/zinc/47/10/49/352471049.db2.gz KSXRFWPZAGSGQY-SECBINFHSA-N 0 0 166.264 2.936 10 0 AFAERN [NH3+][C@@]1(C(F)F)CCCC[C@H]1C1CC1 575512158 352471052 /nfs/dbraw/zinc/47/10/52/352471052.db2.gz LERSCPVSGHQQAD-WPRPVWTQSA-N 0 0 189.249 2.549 10 0 AFAERN O=C(C1CC1)[C@@H]1CCCC2(CC2)C1 575512326 352471486 /nfs/dbraw/zinc/47/14/86/352471486.db2.gz NDASXYZQOXUJGA-SNVBAGLBSA-N 0 0 178.275 2.936 10 0 AFAERN O=C(C1CC1)[C@H]1CCCC2(CC2)C1 575512325 352471717 /nfs/dbraw/zinc/47/17/17/352471717.db2.gz NDASXYZQOXUJGA-JTQLQIEISA-N 0 0 178.275 2.936 10 0 AFAERN NC1(C(F)(F)F)CCC2(CC2)CC1 575513092 352476412 /nfs/dbraw/zinc/47/64/12/352476412.db2.gz ZEYUNULJTQPHLK-UHFFFAOYSA-N 0 0 193.212 2.600 10 0 AFAERN CCC(=O)C1CCC2(CC1)CC2 575513091 352476748 /nfs/dbraw/zinc/47/67/48/352476748.db2.gz ZDJSTBFLGWNHHM-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1ncsc1-c1cccc(N)c1 575513880 352480793 /nfs/dbraw/zinc/48/07/93/352480793.db2.gz ANNUICXNMRUWDE-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(-c2cncs2)ccc1N 575514190 352482761 /nfs/dbraw/zinc/48/27/61/352482761.db2.gz FVBILHXKAJEEJH-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Nc1ccc(F)cc1-c1cncs1 575514167 352482784 /nfs/dbraw/zinc/48/27/84/352482784.db2.gz FKKRMZNVEPRERQ-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1ccc(N)cc1-c1cncs1 575514201 352482874 /nfs/dbraw/zinc/48/28/74/352482874.db2.gz FYDHYVMRRBRENW-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Nc1ccc(-c2cncs2)cc1F 575514505 352484426 /nfs/dbraw/zinc/48/44/26/352484426.db2.gz IGKWVAMOMMRZLE-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1ccc(-c2cncs2)c(N)c1 575514723 352485190 /nfs/dbraw/zinc/48/51/90/352485190.db2.gz KKEGHFYRRCCTOP-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(N)ccc1-c1cncs1 575515505 352489344 /nfs/dbraw/zinc/48/93/44/352489344.db2.gz PNGQIILVYDZXSL-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Nc1c(F)cccc1-c1cncs1 575515690 352489625 /nfs/dbraw/zinc/48/96/25/352489625.db2.gz SIFPDIQFFOAGCN-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1ccc(F)c(-c2cncs2)c1 575515663 352490029 /nfs/dbraw/zinc/49/00/29/352490029.db2.gz SBYXYILZNUTTRH-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1cccc(-c2cncs2)c1N 575515828 352491363 /nfs/dbraw/zinc/49/13/63/352491363.db2.gz VBUXWKVWCWFGNU-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(N)c(-c2cncs2)c1 575515943 352491923 /nfs/dbraw/zinc/49/19/23/352491923.db2.gz VYDNUVFEPFFPLU-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1c(N)cccc1-c1cncs1 575515959 352492084 /nfs/dbraw/zinc/49/20/84/352492084.db2.gz WARPZHZTSHIVPQ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ncsc1-c1ccccc1N 575516013 352492136 /nfs/dbraw/zinc/49/21/36/352492136.db2.gz WNAAZOUBYKMCLB-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H]([NH3+])c2cncs2)C1 575516297 352493579 /nfs/dbraw/zinc/49/35/79/352493579.db2.gz YWALNMPPOXFETJ-MRTMQBJTSA-N 0 0 196.319 2.579 10 0 AFAERN Cc1ncsc1[C@@H]1C[C@@H](C)CC[NH2+]1 575516335 352493198 /nfs/dbraw/zinc/49/31/98/352493198.db2.gz ZQWFHWHYUMTRMX-CBAPKCEASA-N 0 0 196.319 2.512 10 0 AFAERN Cc1ncsc1[C@H]1C[C@H](C)CC[NH2+]1 575516338 352493214 /nfs/dbraw/zinc/49/32/14/352493214.db2.gz ZQWFHWHYUMTRMX-VXNVDRBHSA-N 0 0 196.319 2.512 10 0 AFAERN Cc1ncsc1[C@@H]1C[C@H](C)CC[NH2+]1 575516334 352493229 /nfs/dbraw/zinc/49/32/29/352493229.db2.gz ZQWFHWHYUMTRMX-APPZFPTMSA-N 0 0 196.319 2.512 10 0 AFAERN C[C@@H]1CC[C@H]([C@H]([NH3+])c2cncs2)C1 575516301 352493268 /nfs/dbraw/zinc/49/32/68/352493268.db2.gz YWALNMPPOXFETJ-WEDXCCLWSA-N 0 0 196.319 2.579 10 0 AFAERN Cc1ncsc1[C@H]1C[C@@H](C)CC[NH2+]1 575516336 352493441 /nfs/dbraw/zinc/49/34/41/352493441.db2.gz ZQWFHWHYUMTRMX-IONNQARKSA-N 0 0 196.319 2.512 10 0 AFAERN C[C@@H]1CC[C@@H]([C@@H]([NH3+])c2cncs2)C1 575516299 352493489 /nfs/dbraw/zinc/49/34/89/352493489.db2.gz YWALNMPPOXFETJ-NQMVMOMDSA-N 0 0 196.319 2.579 10 0 AFAERN C[C@@H]1CC[C@H]([C@@H]([NH3+])c2cncs2)C1 575516295 352493574 /nfs/dbraw/zinc/49/35/74/352493574.db2.gz YWALNMPPOXFETJ-KHQFGBGNSA-N 0 0 196.319 2.579 10 0 AFAERN O=Cc1ccc(-c2cncs2)s1 575516782 352494286 /nfs/dbraw/zinc/49/42/86/352494286.db2.gz BGPICLJDWLRCAR-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN Cc1ncsc1C(=O)[C@@H]1CC1(C)C 575517016 352495176 /nfs/dbraw/zinc/49/51/76/352495176.db2.gz CGHIPLQKNLUZHG-ZETCQYMHSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncsc1C(=O)[C@H]1CC1(C)C 575517015 352495627 /nfs/dbraw/zinc/49/56/27/352495627.db2.gz CGHIPLQKNLUZHG-SSDOTTSWSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncsc1-c1ccc(C=O)o1 575517137 352495868 /nfs/dbraw/zinc/49/58/68/352495868.db2.gz GELKEPPCTLRQOM-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(C)[C@H](O)c1ccc(N)c(Cl)c1 575517264 352495875 /nfs/dbraw/zinc/49/58/75/352495875.db2.gz KIOKXMHPTFDHED-JTQLQIEISA-N 0 0 199.681 2.612 10 0 AFAERN CC(C)[C@@H](O)c1ccc(N)c(Cl)c1 575517265 352496358 /nfs/dbraw/zinc/49/63/58/352496358.db2.gz KIOKXMHPTFDHED-SNVBAGLBSA-N 0 0 199.681 2.612 10 0 AFAERN Cc1ncsc1[C@@H]1CCCC(=O)C1 575517479 352497253 /nfs/dbraw/zinc/49/72/53/352497253.db2.gz JJJYFOKPNGEKRZ-MRVPVSSYSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1ncsc1[C@@H]1CCCCC1=O 575517466 352497373 /nfs/dbraw/zinc/49/73/73/352497373.db2.gz JFBROXCQBDNXGF-MRVPVSSYSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1ncsc1[C@H]1CCCCC1=O 575517469 352497401 /nfs/dbraw/zinc/49/74/01/352497401.db2.gz JFBROXCQBDNXGF-QMMMGPOBSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1ncsc1[C@H]1CCCC(=O)C1 575517482 352497427 /nfs/dbraw/zinc/49/74/27/352497427.db2.gz JJJYFOKPNGEKRZ-QMMMGPOBSA-N 0 0 195.287 2.678 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)c2cncs2)C1 575517639 352497880 /nfs/dbraw/zinc/49/78/80/352497880.db2.gz LXEUZUQFSRYRKL-HTQZYQBOSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CC[C@H](C(=O)c2cncs2)C1 575517642 352498012 /nfs/dbraw/zinc/49/80/12/352498012.db2.gz LXEUZUQFSRYRKL-YUMQZZPRSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)c2cncs2)C1 575517640 352498111 /nfs/dbraw/zinc/49/81/11/352498111.db2.gz LXEUZUQFSRYRKL-JGVFFNPUSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)c2cncs2)C1 575517641 352498159 /nfs/dbraw/zinc/49/81/59/352498159.db2.gz LXEUZUQFSRYRKL-SFYZADRCSA-N 0 0 195.287 2.762 10 0 AFAERN Cc1ncsc1[C@H]1CCC(=O)[C@@H]1C 575517947 352499007 /nfs/dbraw/zinc/49/90/07/352499007.db2.gz QDHLAZLHQGQAJG-SVRRBLITSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1ncsc1[C@@H]1CCC(=O)[C@@H]1C 575517945 352499188 /nfs/dbraw/zinc/49/91/88/352499188.db2.gz QDHLAZLHQGQAJG-HTRCEHHLSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1ncsc1[C@@H]1CCC(=O)[C@H]1C 575517946 352499337 /nfs/dbraw/zinc/49/93/37/352499337.db2.gz QDHLAZLHQGQAJG-POYBYMJQSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1ncsc1[C@H]1CCC(=O)[C@H]1C 575517948 352499437 /nfs/dbraw/zinc/49/94/37/352499437.db2.gz QDHLAZLHQGQAJG-XPUUQOCRSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1ncsc1-c1ccoc1C=O 575518242 352501368 /nfs/dbraw/zinc/50/13/68/352501368.db2.gz ROPSTKIWPIBMCB-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN O=C1CCCCC[C@H]1c1cncs1 575518240 352501388 /nfs/dbraw/zinc/50/13/88/352501388.db2.gz RMLYXGHNPZWRLP-MRVPVSSYSA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCCC[C@@H]1c1cncs1 575518241 352501506 /nfs/dbraw/zinc/50/15/06/352501506.db2.gz RMLYXGHNPZWRLP-QMMMGPOBSA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCC[C@@H](c2cncs2)C1 575518493 352502150 /nfs/dbraw/zinc/50/21/50/352502150.db2.gz XKHQAUHJVQVCFG-MRVPVSSYSA-N 0 0 195.287 2.760 10 0 AFAERN O=C1CCCC[C@H](c2cncs2)C1 575518494 352502154 /nfs/dbraw/zinc/50/21/54/352502154.db2.gz XKHQAUHJVQVCFG-QMMMGPOBSA-N 0 0 195.287 2.760 10 0 AFAERN CNc1cccc(-c2cncs2)c1 575518371 352502252 /nfs/dbraw/zinc/50/22/52/352502252.db2.gz NXJRPYDUPIIFDC-UHFFFAOYSA-N 0 0 190.271 2.852 10 0 AFAERN O=C(c1cncs1)[C@@]12CCC[C@@H]1C2 575518421 352502292 /nfs/dbraw/zinc/50/22/92/352502292.db2.gz VKAWVKOHXMRRGF-GMSGAONNSA-N 0 0 193.271 2.516 10 0 AFAERN O=C(c1cncs1)[C@]12CCC[C@H]1C2 575518426 352502486 /nfs/dbraw/zinc/50/24/86/352502486.db2.gz VKAWVKOHXMRRGF-XVKPBYJWSA-N 0 0 193.271 2.516 10 0 AFAERN C[C@H]1CCC[C@H]1C(=O)c1cncs1 575518511 352503068 /nfs/dbraw/zinc/50/30/68/352503068.db2.gz XNYMNKXJOFLQIF-JGVFFNPUSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@H]1CCC[C@@H]1C(=O)c1cncs1 575518513 352503099 /nfs/dbraw/zinc/50/30/99/352503099.db2.gz XNYMNKXJOFLQIF-YUMQZZPRSA-N 0 0 195.287 2.762 10 0 AFAERN C[C@@H]1CCC[C@H]1C(=O)c1cncs1 575518510 352503322 /nfs/dbraw/zinc/50/33/22/352503322.db2.gz XNYMNKXJOFLQIF-HTQZYQBOSA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C(=O)c2cncs2)CCCC1 575518553 352503329 /nfs/dbraw/zinc/50/33/29/352503329.db2.gz ZFWIKEZFXVJREI-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN C[C@@H]1CCC[C@@H]1C(=O)c1cncs1 575518512 352503383 /nfs/dbraw/zinc/50/33/83/352503383.db2.gz XNYMNKXJOFLQIF-SFYZADRCSA-N 0 0 195.287 2.762 10 0 AFAERN c1csc(NC[C@H]2C[C@@H]3C[C@@H]3C2)n1 575521868 352519450 /nfs/dbraw/zinc/51/94/50/352519450.db2.gz PTOUTNHMXOBGDV-AYMMMOKOSA-N 0 0 194.303 2.601 10 0 AFAERN Nc1cccc(-c2ccns2)c1F 575522667 352522374 /nfs/dbraw/zinc/52/23/74/352522374.db2.gz BPZFWSRQAZSPNS-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN C1=C(CNc2ccsc2)CSC1 575522764 352523462 /nfs/dbraw/zinc/52/34/62/352523462.db2.gz JAVUPWAZNWIROB-UHFFFAOYSA-N 0 0 197.328 2.833 10 0 AFAERN Nc1cccc(-c2ccco2)c1F 575523231 352524716 /nfs/dbraw/zinc/52/47/16/352524716.db2.gz HMMFAFIHJXLGDY-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Nc1cccc(-c2cncs2)c1F 575523491 352526152 /nfs/dbraw/zinc/52/61/52/352526152.db2.gz LJAPCMPSOUTTSU-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1cccc(-c2ccsn2)c1F 575523486 352526176 /nfs/dbraw/zinc/52/61/76/352526176.db2.gz LGMDQSAYVZYFAI-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CCC(=O)Cc1ccsc1Cl 575523534 352526711 /nfs/dbraw/zinc/52/67/11/352526711.db2.gz MEBTUUIHTHVMIP-UHFFFAOYSA-N 0 0 188.679 2.923 10 0 AFAERN Nc1cccc(C2=CCCC2)c1F 575523811 352527426 /nfs/dbraw/zinc/52/74/26/352527426.db2.gz OVDNIZWHUQOEIB-UHFFFAOYSA-N 0 0 177.222 2.975 10 0 AFAERN C[C@]1(C[C@H]2CCCC2=O)CC1(F)F 575523761 352527445 /nfs/dbraw/zinc/52/74/45/352527445.db2.gz NWDARNSAFJJWHV-APPZFPTMSA-N 0 0 188.217 2.791 10 0 AFAERN Nc1cccc(-c2cnsc2)c1F 575523782 352527506 /nfs/dbraw/zinc/52/75/06/352527506.db2.gz OGICHROYVCWMET-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN C[C@@]1(C[C@@H]2CCCC2=O)CC1(F)F 575523764 352527516 /nfs/dbraw/zinc/52/75/16/352527516.db2.gz NWDARNSAFJJWHV-IONNQARKSA-N 0 0 188.217 2.791 10 0 AFAERN C[C@]1(C[C@@H]2CCCC2=O)CC1(F)F 575523762 352527552 /nfs/dbraw/zinc/52/75/52/352527552.db2.gz NWDARNSAFJJWHV-CBAPKCEASA-N 0 0 188.217 2.791 10 0 AFAERN C[C@@]1(C[C@H]2CCCC2=O)CC1(F)F 575523765 352527606 /nfs/dbraw/zinc/52/76/06/352527606.db2.gz NWDARNSAFJJWHV-VXNVDRBHSA-N 0 0 188.217 2.791 10 0 AFAERN CC(C)Cc1cccc(N)c1F 575524004 352528337 /nfs/dbraw/zinc/52/83/37/352528337.db2.gz PBGKEAPUBLPDBN-UHFFFAOYSA-N 0 0 167.227 2.606 10 0 AFAERN Nc1cccc(-c2ccoc2)c1F 575525019 352532732 /nfs/dbraw/zinc/53/27/32/352532732.db2.gz XHGOVOQXMONVLD-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN Cc1csc(NC2(C3CC3)CC2)n1 575525212 352533603 /nfs/dbraw/zinc/53/36/03/352533603.db2.gz CLPZBRBISJURKJ-UHFFFAOYSA-N 0 0 194.303 2.806 10 0 AFAERN c1csc(NC2(C3CCC3)CC2)n1 575525938 352538186 /nfs/dbraw/zinc/53/81/86/352538186.db2.gz MCJXXKZIESVRFJ-UHFFFAOYSA-N 0 0 194.303 2.888 10 0 AFAERN CN[C@]1(C(F)F)CCC12CCCC2 575527774 352544466 /nfs/dbraw/zinc/54/44/66/352544466.db2.gz CCTKSQUYSVRGKT-JTQLQIEISA-N 0 0 189.249 2.564 10 0 AFAERN CN[C@@]1(C(F)F)CCC12CCCC2 575527775 352544561 /nfs/dbraw/zinc/54/45/61/352544561.db2.gz CCTKSQUYSVRGKT-SNVBAGLBSA-N 0 0 189.249 2.564 10 0 AFAERN N[C@]1(C(F)(F)F)CCC12CCCC2 575528828 352549520 /nfs/dbraw/zinc/54/95/20/352549520.db2.gz QBEOMVRSHRNMIC-MRVPVSSYSA-N 0 0 193.212 2.600 10 0 AFAERN N[C@@]1(C(F)(F)F)CCC12CCCC2 575528829 352549564 /nfs/dbraw/zinc/54/95/64/352549564.db2.gz QBEOMVRSHRNMIC-QMMMGPOBSA-N 0 0 193.212 2.600 10 0 AFAERN CC(C)[C@H](O)c1ccc(Cl)c(N)c1 575529062 352550145 /nfs/dbraw/zinc/55/01/45/352550145.db2.gz XTLUQTGRKIUUJT-JTQLQIEISA-N 0 0 199.681 2.612 10 0 AFAERN CC(C)[C@@H](O)c1ccc(Cl)c(N)c1 575529063 352550251 /nfs/dbraw/zinc/55/02/51/352550251.db2.gz XTLUQTGRKIUUJT-SNVBAGLBSA-N 0 0 199.681 2.612 10 0 AFAERN O=C1CCC[C@@H]1C[C@@H]1C[C@H]2C[C@H]2C1 575529166 352550587 /nfs/dbraw/zinc/55/05/87/352550587.db2.gz TWTXLZNIAFZPDP-CHWFTXMASA-N 0 0 178.275 2.792 10 0 AFAERN O=C1CCC[C@H]1C[C@@H]1C[C@H]2C[C@H]2C1 575529172 352550610 /nfs/dbraw/zinc/55/06/10/352550610.db2.gz TWTXLZNIAFZPDP-MMWGEVLESA-N 0 0 178.275 2.792 10 0 AFAERN O=C(c1ccco1)[C@@]12CCC[C@@H]1C2 575529964 352553900 /nfs/dbraw/zinc/55/39/00/352553900.db2.gz ALQSTAMRUQUCIN-LDYMZIIASA-N 0 0 176.215 2.653 10 0 AFAERN O=C(c1ccco1)[C@]12CCC[C@H]1C2 575529960 352554054 /nfs/dbraw/zinc/55/40/54/352554054.db2.gz ALQSTAMRUQUCIN-KWQFWETISA-N 0 0 176.215 2.653 10 0 AFAERN O=C(C1CCC1)[C@@]12CCCC[C@@H]1C2 575530133 352554670 /nfs/dbraw/zinc/55/46/70/352554670.db2.gz BTVNGJVWGMVDIO-ZYHUDNBSSA-N 0 0 178.275 2.936 10 0 AFAERN O=C(C1CCC1)[C@]12CCCC[C@H]1C2 575530119 352554844 /nfs/dbraw/zinc/55/48/44/352554844.db2.gz BTVNGJVWGMVDIO-JQWIXIFHSA-N 0 0 178.275 2.936 10 0 AFAERN O=C(C1CC1)[C@@]12CCCC[C@@H]1C2 575530611 352557423 /nfs/dbraw/zinc/55/74/23/352557423.db2.gz DZMROWFNSMUVKD-MWLCHTKSSA-N 0 0 164.248 2.546 10 0 AFAERN O=C(C1CC1)[C@]12CCCC[C@H]1C2 575530613 352557607 /nfs/dbraw/zinc/55/76/07/352557607.db2.gz DZMROWFNSMUVKD-ONGXEEELSA-N 0 0 164.248 2.546 10 0 AFAERN O=C(c1cnsc1)[C@@]12CCC[C@@H]1C2 575531177 352559643 /nfs/dbraw/zinc/55/96/43/352559643.db2.gz HKWXTGVSLYIWEK-PSASIEDQSA-N 0 0 193.271 2.516 10 0 AFAERN O=C(c1cnsc1)[C@]12CCC[C@H]1C2 575531184 352559740 /nfs/dbraw/zinc/55/97/40/352559740.db2.gz HKWXTGVSLYIWEK-WPRPVWTQSA-N 0 0 193.271 2.516 10 0 AFAERN O=C(c1ccoc1)[C@@]12CCC[C@@H]1C2 575531733 352562563 /nfs/dbraw/zinc/56/25/63/352562563.db2.gz KCJLALFERNGRNP-MWLCHTKSSA-N 0 0 176.215 2.653 10 0 AFAERN O=C(c1ccsn1)[C@@]12CCC[C@@H]1C2 575531676 352562580 /nfs/dbraw/zinc/56/25/80/352562580.db2.gz JVVZPXXCGFGITP-GMSGAONNSA-N 0 0 193.271 2.516 10 0 AFAERN O=C(c1ccsn1)[C@]12CCC[C@H]1C2 575531688 352562598 /nfs/dbraw/zinc/56/25/98/352562598.db2.gz JVVZPXXCGFGITP-XVKPBYJWSA-N 0 0 193.271 2.516 10 0 AFAERN O=C(c1ccoc1)[C@]12CCC[C@H]1C2 575531736 352562646 /nfs/dbraw/zinc/56/26/46/352562646.db2.gz KCJLALFERNGRNP-ONGXEEELSA-N 0 0 176.215 2.653 10 0 AFAERN O=C(c1cscn1)[C@@]12CCC[C@@H]1C2 575531941 352563688 /nfs/dbraw/zinc/56/36/88/352563688.db2.gz LNBWTOOICQGMIG-GMSGAONNSA-N 0 0 193.271 2.516 10 0 AFAERN O=C(c1cscn1)[C@]12CCC[C@H]1C2 575531947 352563793 /nfs/dbraw/zinc/56/37/93/352563793.db2.gz LNBWTOOICQGMIG-XVKPBYJWSA-N 0 0 193.271 2.516 10 0 AFAERN O=C(c1ccns1)[C@@]12CCC[C@@H]1C2 575532476 352566229 /nfs/dbraw/zinc/56/62/29/352566229.db2.gz OPOVPMBLKIACEO-GMSGAONNSA-N 0 0 193.271 2.516 10 0 AFAERN O=C(c1ccns1)[C@]12CCC[C@H]1C2 575532817 352568139 /nfs/dbraw/zinc/56/81/39/352568139.db2.gz OPOVPMBLKIACEO-XVKPBYJWSA-N 0 0 193.271 2.516 10 0 AFAERN CCCC(=O)[C@]12CCC[C@H]1C2 575533266 352570331 /nfs/dbraw/zinc/57/03/31/352570331.db2.gz QVPJFIXAUJVOSK-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN CCCC(=O)[C@@]12CCC[C@@H]1C2 575533256 352570376 /nfs/dbraw/zinc/57/03/76/352570376.db2.gz QVPJFIXAUJVOSK-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)(C)C(=O)[C@@]12CCC[C@@H]1C2 575533743 352572243 /nfs/dbraw/zinc/57/22/43/352572243.db2.gz SWOOKOSFXDWKEQ-LDYMZIIASA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)(C)C(=O)[C@]12CCC[C@H]1C2 575533742 352572569 /nfs/dbraw/zinc/57/25/69/352572569.db2.gz SWOOKOSFXDWKEQ-KWQFWETISA-N 0 0 166.264 2.792 10 0 AFAERN O=C(C1CCC1)[C@]12CCC[C@H]1C2 575534098 352573415 /nfs/dbraw/zinc/57/34/15/352573415.db2.gz UTCQBXAHRLVPHK-ONGXEEELSA-N 0 0 164.248 2.546 10 0 AFAERN O=C(C1CCC1)[C@@]12CCC[C@@H]1C2 575534097 352573558 /nfs/dbraw/zinc/57/35/58/352573558.db2.gz UTCQBXAHRLVPHK-MWLCHTKSSA-N 0 0 164.248 2.546 10 0 AFAERN O=C([C@@H]1CCCS1)[C@@]12CCC[C@@H]1C2 575534139 352573587 /nfs/dbraw/zinc/57/35/87/352573587.db2.gz VCZXYDXLLUGMBW-WCABBAIRSA-N 0 0 196.315 2.641 10 0 AFAERN CC[C@H]1CCCCC[C@@]12CO2 575534671 352575985 /nfs/dbraw/zinc/57/59/85/352575985.db2.gz LQUSHLUCDOMRGX-VHSXEESVSA-N 0 0 154.253 2.746 10 0 AFAERN CC[C@@H]1CCCCC[C@]12CO2 575534672 352576045 /nfs/dbraw/zinc/57/60/45/352576045.db2.gz LQUSHLUCDOMRGX-ZJUUUORDSA-N 0 0 154.253 2.746 10 0 AFAERN CC[C@H]1CCCCC[C@]12CO2 575534670 352576064 /nfs/dbraw/zinc/57/60/64/352576064.db2.gz LQUSHLUCDOMRGX-UWVGGRQHSA-N 0 0 154.253 2.746 10 0 AFAERN O=C(C1CCCC1)[C@]12CCC[C@H]1C2 575534761 352576130 /nfs/dbraw/zinc/57/61/30/352576130.db2.gz YLBFSJLSPJVKLD-JQWIXIFHSA-N 0 0 178.275 2.936 10 0 AFAERN CC[C@@H]1CCCCC[C@@]12CO2 575534669 352576187 /nfs/dbraw/zinc/57/61/87/352576187.db2.gz LQUSHLUCDOMRGX-NXEZZACHSA-N 0 0 154.253 2.746 10 0 AFAERN O=C(C1CCCC1)[C@@]12CCC[C@@H]1C2 575534763 352576241 /nfs/dbraw/zinc/57/62/41/352576241.db2.gz YLBFSJLSPJVKLD-ZYHUDNBSSA-N 0 0 178.275 2.936 10 0 AFAERN C1CC(C2CCC3(CC2)CO3)C1 575535058 352578004 /nfs/dbraw/zinc/57/80/04/352578004.db2.gz PLPPILVLCRHETM-UHFFFAOYSA-N 0 0 166.264 2.746 10 0 AFAERN CC(C)[C@@H]1CCCCC[C@]12CO2 575535504 352579587 /nfs/dbraw/zinc/57/95/87/352579587.db2.gz WGPUJJCOLCHVGS-QWRGUYRKSA-N 0 0 168.280 2.992 10 0 AFAERN CC(C)[C@H]1CCCCC[C@@]12CO2 575535495 352579745 /nfs/dbraw/zinc/57/97/45/352579745.db2.gz WGPUJJCOLCHVGS-GHMZBOCLSA-N 0 0 168.280 2.992 10 0 AFAERN CC(C)[C@@H]1CCCCC[C@@]12CO2 575535506 352579897 /nfs/dbraw/zinc/57/98/97/352579897.db2.gz WGPUJJCOLCHVGS-WDEREUQCSA-N 0 0 168.280 2.992 10 0 AFAERN CC(C)[C@H]1CCCCC[C@]12CO2 575535503 352579948 /nfs/dbraw/zinc/57/99/48/352579948.db2.gz WGPUJJCOLCHVGS-MNOVXSKESA-N 0 0 168.280 2.992 10 0 AFAERN C[C@@H]1CCCC[C@H]1C[C@@H]1CO1 575535709 352580422 /nfs/dbraw/zinc/58/04/22/352580422.db2.gz ZRULUKAENKEBBZ-KXUCPTDWSA-N 0 0 154.253 2.602 10 0 AFAERN C[C@@H]1CCCC[C@@H]1C[C@H]1CO1 575535708 352580471 /nfs/dbraw/zinc/58/04/71/352580471.db2.gz ZRULUKAENKEBBZ-BBBLOLIVSA-N 0 0 154.253 2.602 10 0 AFAERN CC(C)=CCCc1ccc[nH]1 575535647 352580588 /nfs/dbraw/zinc/58/05/88/352580588.db2.gz YWYBJACNPFBWTO-UHFFFAOYSA-N 0 0 149.237 2.914 10 0 AFAERN C[C@@H]1CCCC[C@@H]1C[C@@H]1CO1 575535710 352580674 /nfs/dbraw/zinc/58/06/74/352580674.db2.gz ZRULUKAENKEBBZ-OPRDCNLKSA-N 0 0 154.253 2.602 10 0 AFAERN C[C@@H]1CCCC[C@H]1C[C@H]1CO1 575535711 352580797 /nfs/dbraw/zinc/58/07/97/352580797.db2.gz ZRULUKAENKEBBZ-UTLUCORTSA-N 0 0 154.253 2.602 10 0 AFAERN CC(C)c1nc(-c2ncc[nH]2)cs1 575536130 352582865 /nfs/dbraw/zinc/58/28/65/352582865.db2.gz CBANONYRCHRMCD-UHFFFAOYSA-N 0 0 193.275 2.657 10 0 AFAERN CCNc1ncc(C(C)C)cc1F 575536337 352583785 /nfs/dbraw/zinc/58/37/85/352583785.db2.gz AVVACHJNOIWAPU-UHFFFAOYSA-N 0 0 182.242 2.776 10 0 AFAERN C[C@H]1C[C@H]1CNc1cnccc1Cl 575537286 352589614 /nfs/dbraw/zinc/58/96/14/352589614.db2.gz DSCHBEVBTCTIGG-YUMQZZPRSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@@H]1C[C@@H]1CNc1cnccc1Cl 575537283 352589690 /nfs/dbraw/zinc/58/96/90/352589690.db2.gz DSCHBEVBTCTIGG-HTQZYQBOSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@H]1C[C@@H]1CNc1cnccc1Cl 575537284 352589705 /nfs/dbraw/zinc/58/97/05/352589705.db2.gz DSCHBEVBTCTIGG-JGVFFNPUSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@@H]1C[C@H]1CNc1cnccc1Cl 575537285 352589731 /nfs/dbraw/zinc/58/97/31/352589731.db2.gz DSCHBEVBTCTIGG-SFYZADRCSA-N 0 0 196.681 2.803 10 0 AFAERN Nc1ncc(-c2ccsc2)cc1F 575538638 352595569 /nfs/dbraw/zinc/59/55/69/352595569.db2.gz UFKYBFWGACCZQC-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN C[C@H]1C[C@H]1CNc1cccnc1Cl 575538692 352596008 /nfs/dbraw/zinc/59/60/08/352596008.db2.gz OXSLOTYBVRRGHD-YUMQZZPRSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@@H]1C[C@@H]1CNc1cccnc1Cl 575538688 352596113 /nfs/dbraw/zinc/59/61/13/352596113.db2.gz OXSLOTYBVRRGHD-HTQZYQBOSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@H]1C[C@@H]1CNc1cccnc1Cl 575538689 352596342 /nfs/dbraw/zinc/59/63/42/352596342.db2.gz OXSLOTYBVRRGHD-JGVFFNPUSA-N 0 0 196.681 2.803 10 0 AFAERN C[C@@H]1C[C@H]1CNc1cccnc1Cl 575538691 352596411 /nfs/dbraw/zinc/59/64/11/352596411.db2.gz OXSLOTYBVRRGHD-SFYZADRCSA-N 0 0 196.681 2.803 10 0 AFAERN CCNc1ncc(C2CC2)cc1F 575539017 352597963 /nfs/dbraw/zinc/59/79/63/352597963.db2.gz VNVSYSBVCRWLKS-UHFFFAOYSA-N 0 0 180.226 2.530 10 0 AFAERN Cc1ccc(O)cc1NCC1CC1 575540353 352603444 /nfs/dbraw/zinc/60/34/44/352603444.db2.gz AELIMGDFCVRPJV-UHFFFAOYSA-N 0 0 177.247 2.523 10 0 AFAERN CC1(C)CNc2cnccc2SC1 575540570 352604096 /nfs/dbraw/zinc/60/40/96/352604096.db2.gz XWQQVSBLHYZEOL-UHFFFAOYSA-N 0 0 194.303 2.625 10 0 AFAERN O=C(C1CC1)[C@@H]1CCCC12CC2 575540908 352606012 /nfs/dbraw/zinc/60/60/12/352606012.db2.gz BUGCFSGRUOBHLB-VIFPVBQESA-N 0 0 164.248 2.546 10 0 AFAERN c1nscc1NC[C@H]1C[C@@H]2C[C@@H]2C1 575541818 352608860 /nfs/dbraw/zinc/60/88/60/352608860.db2.gz LTPPDLVGHREQRV-AYMMMOKOSA-N 0 0 194.303 2.601 10 0 AFAERN O=C(C1CCC1)[C@@H]1CCCC12CC2 575542790 352612037 /nfs/dbraw/zinc/61/20/37/352612037.db2.gz KQUSKODJGBKJAV-JTQLQIEISA-N 0 0 178.275 2.936 10 0 AFAERN O=C(C1CCC1)[C@H]1CCCC12CC2 575542795 352612296 /nfs/dbraw/zinc/61/22/96/352612296.db2.gz KQUSKODJGBKJAV-SNVBAGLBSA-N 0 0 178.275 2.936 10 0 AFAERN c1cc(NC[C@@H]2CC23CC3)cs1 575543136 352613329 /nfs/dbraw/zinc/61/33/29/352613329.db2.gz NSBMOIPSHJFGIG-QMMMGPOBSA-N 0 0 179.288 2.960 10 0 AFAERN c1cc(NC[C@H]2CC23CC3)cs1 575543135 352613648 /nfs/dbraw/zinc/61/36/48/352613648.db2.gz NSBMOIPSHJFGIG-MRVPVSSYSA-N 0 0 179.288 2.960 10 0 AFAERN CC(C)C(=O)[C@@H]1CCCC12CC2 575543138 352613664 /nfs/dbraw/zinc/61/36/64/352613664.db2.gz NVXNUAWYAKBZQZ-VIFPVBQESA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)C(=O)[C@H]1CCCC12CC2 575543137 352613790 /nfs/dbraw/zinc/61/37/90/352613790.db2.gz NVXNUAWYAKBZQZ-SECBINFHSA-N 0 0 166.264 2.792 10 0 AFAERN c1ccc(NC[C@H]2CC23CC3)cc1 575543388 352614780 /nfs/dbraw/zinc/61/47/80/352614780.db2.gz PBCAKWNNJOMETJ-SNVBAGLBSA-N 0 0 173.259 2.899 10 0 AFAERN c1ccc(NC[C@@H]2CC23CC3)cc1 575543387 352614958 /nfs/dbraw/zinc/61/49/58/352614958.db2.gz PBCAKWNNJOMETJ-JTQLQIEISA-N 0 0 173.259 2.899 10 0 AFAERN CCC(=O)[C@@H]1CCCC12CC2 575543653 352615337 /nfs/dbraw/zinc/61/53/37/352615337.db2.gz RHPOUSSHQBFIJP-QMMMGPOBSA-N 0 0 152.237 2.546 10 0 AFAERN CCC(=O)[C@H]1CCCC12CC2 575543652 352615384 /nfs/dbraw/zinc/61/53/84/352615384.db2.gz RHPOUSSHQBFIJP-MRVPVSSYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ccc(O)cc1NC1CCC1 575544065 352616548 /nfs/dbraw/zinc/61/65/48/352616548.db2.gz TZFWCKJKXFXATN-UHFFFAOYSA-N 0 0 177.247 2.665 10 0 AFAERN CC(F)(F)CNc1cccc(F)c1 575544389 352618001 /nfs/dbraw/zinc/61/80/01/352618001.db2.gz FBKGDUAYXKYHAH-UHFFFAOYSA-N 0 0 189.180 2.893 10 0 AFAERN c1nscc1N[C@@H]1CCCC12CC2 575544479 352618077 /nfs/dbraw/zinc/61/80/77/352618077.db2.gz WFLQCVCORDISSR-SECBINFHSA-N 0 0 194.303 2.888 10 0 AFAERN c1nscc1N[C@H]1CCCC12CC2 575544480 352618299 /nfs/dbraw/zinc/61/82/99/352618299.db2.gz WFLQCVCORDISSR-VIFPVBQESA-N 0 0 194.303 2.888 10 0 AFAERN CC(F)(F)CNc1ccc(F)cc1 575544870 352619555 /nfs/dbraw/zinc/61/95/55/352619555.db2.gz ISMGWKJHKCPYGR-UHFFFAOYSA-N 0 0 189.180 2.893 10 0 AFAERN CC1(C)C[C@@]1(C)Nc1nccs1 575545669 352622669 /nfs/dbraw/zinc/62/26/69/352622669.db2.gz PTTXKUVRRMDYRS-SECBINFHSA-N 0 0 182.292 2.744 10 0 AFAERN CC1(C)C[C@]1(C)Nc1nccs1 575545670 352622775 /nfs/dbraw/zinc/62/27/75/352622775.db2.gz PTTXKUVRRMDYRS-VIFPVBQESA-N 0 0 182.292 2.744 10 0 AFAERN CC1(C)C[C@@]1(C)Nc1ccccn1 575546608 352625465 /nfs/dbraw/zinc/62/54/65/352625465.db2.gz WEXOWDVSFWGQSH-LLVKDONJSA-N 0 0 176.263 2.682 10 0 AFAERN CC1(C)C[C@]1(C)Nc1ccccn1 575546610 352625622 /nfs/dbraw/zinc/62/56/22/352625622.db2.gz WEXOWDVSFWGQSH-NSHDSACASA-N 0 0 176.263 2.682 10 0 AFAERN CC(C)Cc1cccc(F)c1O 575546996 352627134 /nfs/dbraw/zinc/62/71/34/352627134.db2.gz VNMBGGOICKNRAE-UHFFFAOYSA-N 0 0 168.211 2.730 10 0 AFAERN CC(F)(F)CNc1ccsc1 575546834 352627169 /nfs/dbraw/zinc/62/71/69/352627169.db2.gz VPRJIRLPZVPDMN-UHFFFAOYSA-N 0 0 177.219 2.815 10 0 AFAERN Cc1ccc(C[C@@H]2CO2)c(Cl)c1 575547743 352629190 /nfs/dbraw/zinc/62/91/90/352629190.db2.gz UJSILOBZSUGZQP-SECBINFHSA-N 0 0 182.650 2.590 10 0 AFAERN S=c1[nH]c2c(s1)CC1(CC2)CC1 575548935 352632926 /nfs/dbraw/zinc/63/29/26/352632926.db2.gz FRFGLXNXMOLXNT-UHFFFAOYSA-N 0 0 197.328 2.701 10 0 AFAERN CC1(C)C[C@]1(C)CNc1nccs1 575549274 352633985 /nfs/dbraw/zinc/63/39/85/352633985.db2.gz JUWITSFKLBVIBP-SNVBAGLBSA-N 0 0 196.319 2.991 10 0 AFAERN CC1(C)C[C@@]1(C)CNc1nccs1 575549273 352634203 /nfs/dbraw/zinc/63/42/03/352634203.db2.gz JUWITSFKLBVIBP-JTQLQIEISA-N 0 0 196.319 2.991 10 0 AFAERN Cc1cc(C)c([C@@H](O)C(C)(C)C)[nH]1 575549499 352634720 /nfs/dbraw/zinc/63/47/20/352634720.db2.gz MKBHARYRLXQBSU-SNVBAGLBSA-N 0 0 181.279 2.711 10 0 AFAERN Cc1cc(C)c([C@H](O)C(C)(C)C)[nH]1 575549498 352634794 /nfs/dbraw/zinc/63/47/94/352634794.db2.gz MKBHARYRLXQBSU-JTQLQIEISA-N 0 0 181.279 2.711 10 0 AFAERN C/C=C/[C@@H](O)c1cc(N)cc(Cl)c1 575550029 352636826 /nfs/dbraw/zinc/63/68/26/352636826.db2.gz ONSVXGXQCGIKOH-VMZHVLLKSA-N 0 0 197.665 2.532 10 0 AFAERN C/C=C/[C@H](O)c1cc(N)cc(Cl)c1 575550028 352636865 /nfs/dbraw/zinc/63/68/65/352636865.db2.gz ONSVXGXQCGIKOH-PBKGFPTLSA-N 0 0 197.665 2.532 10 0 AFAERN C/C=C/[C@@H](O)c1ccc(N)c(Cl)c1 575550416 352638004 /nfs/dbraw/zinc/63/80/04/352638004.db2.gz RPGACGMMXZXMHA-VMZHVLLKSA-N 0 0 197.665 2.532 10 0 AFAERN C/C=C/[C@H](O)c1ccc(N)c(Cl)c1 575550415 352638146 /nfs/dbraw/zinc/63/81/46/352638146.db2.gz RPGACGMMXZXMHA-PBKGFPTLSA-N 0 0 197.665 2.532 10 0 AFAERN CC(C)C(C)(C)n1cc[nH]c1=S 575551045 352640171 /nfs/dbraw/zinc/64/01/71/352640171.db2.gz MEVDEHLKLASCMD-UHFFFAOYSA-N 0 0 184.308 2.563 10 0 AFAERN Cc1cc(Cl)ccc1C[C@@H]1CO1 575552319 352645066 /nfs/dbraw/zinc/64/50/66/352645066.db2.gz QNIKYTHRZKVGLY-SNVBAGLBSA-N 0 0 182.650 2.590 10 0 AFAERN Cc1cc(Cl)ccc1C[C@H]1CO1 575552318 352645110 /nfs/dbraw/zinc/64/51/10/352645110.db2.gz QNIKYTHRZKVGLY-JTQLQIEISA-N 0 0 182.650 2.590 10 0 AFAERN S=C1N=C2C[C@@H]3CC[C@@H](C3)C2S1 575552358 352645209 /nfs/dbraw/zinc/64/52/09/352645209.db2.gz AGFQAFFCXJPYIK-RITPCOANSA-N 0 0 197.328 2.872 10 0 AFAERN CCc1cc(Cl)c(O)cc1F 575552788 352646297 /nfs/dbraw/zinc/64/62/97/352646297.db2.gz QGBOUXNQXDYEAU-UHFFFAOYSA-N 0 0 174.602 2.747 10 0 AFAERN CC1(C)CC(C(=O)c2ccns2)C1 575554092 352651029 /nfs/dbraw/zinc/65/10/29/352651029.db2.gz CODRFTUZWMPXHD-UHFFFAOYSA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)CC(C(=O)c2cnsc2)C1 575554578 352652948 /nfs/dbraw/zinc/65/29/48/352652948.db2.gz FUAGWHVWQAEKJG-UHFFFAOYSA-N 0 0 195.287 2.762 10 0 AFAERN CCc1cc(Cl)c(F)cc1O 575555460 352656474 /nfs/dbraw/zinc/65/64/74/352656474.db2.gz MQPBZDGHMWDZGN-UHFFFAOYSA-N 0 0 174.602 2.747 10 0 AFAERN CC1(C)CC(C(=O)c2cncs2)C1 575555868 352657720 /nfs/dbraw/zinc/65/77/20/352657720.db2.gz MVGSLQVGCIHZJG-UHFFFAOYSA-N 0 0 195.287 2.762 10 0 AFAERN Cc1cc(O)cc(NCC2CC2)c1 575555820 352657754 /nfs/dbraw/zinc/65/77/54/352657754.db2.gz CSDGBZCYUWFUQN-UHFFFAOYSA-N 0 0 177.247 2.523 10 0 AFAERN Cc1cc(O)cc(NCC(C)C)c1 575556137 352658620 /nfs/dbraw/zinc/65/86/20/352658620.db2.gz GTNRJTIKAJPMNX-UHFFFAOYSA-N 0 0 179.263 2.769 10 0 AFAERN CC[C@H](C)Nc1cc(C)cc(O)c1 575556161 352659159 /nfs/dbraw/zinc/65/91/59/352659159.db2.gz GYQJNKOXTFFOEU-VIFPVBQESA-N 0 0 179.263 2.911 10 0 AFAERN CC[C@@H](C)Nc1cc(C)cc(O)c1 575556158 352659186 /nfs/dbraw/zinc/65/91/86/352659186.db2.gz GYQJNKOXTFFOEU-SECBINFHSA-N 0 0 179.263 2.911 10 0 AFAERN Cc1cc(O)cc(NC2CCC2)c1 575557184 352662909 /nfs/dbraw/zinc/66/29/09/352662909.db2.gz LRIRCKPLGATWBN-UHFFFAOYSA-N 0 0 177.247 2.665 10 0 AFAERN CC1(C)CC(C(=O)c2cscn2)C1 575557990 352666082 /nfs/dbraw/zinc/66/60/82/352666082.db2.gz VQTCFMUDLDLSAL-UHFFFAOYSA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)C[C@]1(C)c1ncc(C=O)s1 575558195 352667638 /nfs/dbraw/zinc/66/76/38/352667638.db2.gz BRNHSUJFPFHXFT-SNVBAGLBSA-N 0 0 195.287 2.643 10 0 AFAERN CC1(C)C[C@@]1(C)c1ncc(C=O)s1 575558172 352667835 /nfs/dbraw/zinc/66/78/35/352667835.db2.gz BRNHSUJFPFHXFT-JTQLQIEISA-N 0 0 195.287 2.643 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)c1ccsn1 575559086 352670661 /nfs/dbraw/zinc/67/06/61/352670661.db2.gz FLICXKRIBUWEQU-JTQLQIEISA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)c1ccsn1 575559089 352670970 /nfs/dbraw/zinc/67/09/70/352670970.db2.gz FLICXKRIBUWEQU-SNVBAGLBSA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)c1ccoc1 575559133 352671497 /nfs/dbraw/zinc/67/14/97/352671497.db2.gz FTSKGHQHZRZDQV-LLVKDONJSA-N 0 0 178.231 2.899 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)c1ccoc1 575559135 352671757 /nfs/dbraw/zinc/67/17/57/352671757.db2.gz FTSKGHQHZRZDQV-NSHDSACASA-N 0 0 178.231 2.899 10 0 AFAERN CC(C)[C@H]1CC[C@H](C(F)(F)F)NC1 575559531 352672941 /nfs/dbraw/zinc/67/29/41/352672941.db2.gz PDRZWKTXPMMINR-JGVFFNPUSA-N 0 0 195.228 2.573 10 0 AFAERN CC(C)[C@H]1CC[C@@H](C(F)(F)F)NC1 575559533 352673064 /nfs/dbraw/zinc/67/30/64/352673064.db2.gz PDRZWKTXPMMINR-YUMQZZPRSA-N 0 0 195.228 2.573 10 0 AFAERN CC(C)[C@@H]1CC[C@@H](C(F)(F)F)NC1 575559532 352673073 /nfs/dbraw/zinc/67/30/73/352673073.db2.gz PDRZWKTXPMMINR-SFYZADRCSA-N 0 0 195.228 2.573 10 0 AFAERN CC(C)[C@@H]1CC[C@H](C(F)(F)F)NC1 575559530 352673146 /nfs/dbraw/zinc/67/31/46/352673146.db2.gz PDRZWKTXPMMINR-HTQZYQBOSA-N 0 0 195.228 2.573 10 0 AFAERN Cc1cc(O)cc(NC(C)C)c1 575559882 352674386 /nfs/dbraw/zinc/67/43/86/352674386.db2.gz ZEYMFYFORZTGLN-UHFFFAOYSA-N 0 0 165.236 2.521 10 0 AFAERN CC(C)C(=O)[C@]1(C)CC1(C)C 575560128 352674988 /nfs/dbraw/zinc/67/49/88/352674988.db2.gz GQJVCWNIRCJRDD-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)C(=O)[C@@]1(C)CC1(C)C 575560137 352675010 /nfs/dbraw/zinc/67/50/10/352675010.db2.gz GQJVCWNIRCJRDD-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN CC1(C)C[C@@]1(C)c1nc(C=O)cs1 575560221 352675790 /nfs/dbraw/zinc/67/57/90/352675790.db2.gz HJYSTZSQXIPKPQ-JTQLQIEISA-N 0 0 195.287 2.643 10 0 AFAERN CC1(C)C[C@]1(C)c1nc(C=O)cs1 575560225 352675976 /nfs/dbraw/zinc/67/59/76/352675976.db2.gz HJYSTZSQXIPKPQ-SNVBAGLBSA-N 0 0 195.287 2.643 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)C1CCC1 575560442 352676529 /nfs/dbraw/zinc/67/65/29/352676529.db2.gz JIRJKLPVNBXDMK-LLVKDONJSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)C1CCC1 575560444 352676756 /nfs/dbraw/zinc/67/67/56/352676756.db2.gz JIRJKLPVNBXDMK-NSHDSACASA-N 0 0 166.264 2.792 10 0 AFAERN C/C=C/[C@H](O)c1ccc(Cl)c(N)c1 575560499 352677198 /nfs/dbraw/zinc/67/71/98/352677198.db2.gz UGIUCBOZUFGRNL-PBKGFPTLSA-N 0 0 197.665 2.532 10 0 AFAERN C/C=C/[C@@H](O)c1ccc(Cl)c(N)c1 575560500 352677273 /nfs/dbraw/zinc/67/72/73/352677273.db2.gz UGIUCBOZUFGRNL-VMZHVLLKSA-N 0 0 197.665 2.532 10 0 AFAERN CC(F)(F)C[C@@H]1CCCCC1=O 575560761 352678601 /nfs/dbraw/zinc/67/86/01/352678601.db2.gz NDYKHRNFHFQBMF-ZETCQYMHSA-N 0 0 176.206 2.791 10 0 AFAERN CC(F)(F)C[C@H]1CCCCC1=O 575560757 352678611 /nfs/dbraw/zinc/67/86/11/352678611.db2.gz NDYKHRNFHFQBMF-SSDOTTSWSA-N 0 0 176.206 2.791 10 0 AFAERN CCCC(=O)[C@]1(C)CC1(C)C 575561220 352680353 /nfs/dbraw/zinc/68/03/53/352680353.db2.gz OBBKOFAOMMTOQJ-JTQLQIEISA-N 0 0 154.253 2.792 10 0 AFAERN CCCC(=O)[C@@]1(C)CC1(C)C 575561222 352680775 /nfs/dbraw/zinc/68/07/75/352680775.db2.gz OBBKOFAOMMTOQJ-SNVBAGLBSA-N 0 0 154.253 2.792 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)c1ccc[nH]1 575561692 352682822 /nfs/dbraw/zinc/68/28/22/352682822.db2.gz STDOVZZETVNFGE-LLVKDONJSA-N 0 0 177.247 2.634 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)c1ccco1 575561948 352684118 /nfs/dbraw/zinc/68/41/18/352684118.db2.gz WBILAYFZJMSAEP-LLVKDONJSA-N 0 0 178.231 2.899 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)c1ccco1 575561949 352684195 /nfs/dbraw/zinc/68/41/95/352684195.db2.gz WBILAYFZJMSAEP-NSHDSACASA-N 0 0 178.231 2.899 10 0 AFAERN Fc1ccc(F)c([C@H]2CO2)c1Cl 575562083 352684896 /nfs/dbraw/zinc/68/48/96/352684896.db2.gz QCLMBHMCVIOVKW-ZCFIWIBFSA-N 0 0 190.576 2.690 10 0 AFAERN Fc1ccc(F)c([C@@H]2CO2)c1Cl 575562082 352684930 /nfs/dbraw/zinc/68/49/30/352684930.db2.gz QCLMBHMCVIOVKW-LURJTMIESA-N 0 0 190.576 2.690 10 0 AFAERN FC(F)(F)c1cc([C@@H]2CO2)cs1 575562405 352685858 /nfs/dbraw/zinc/68/58/58/352685858.db2.gz OZESXZNAXGSBEH-YFKPBYRVSA-N 0 0 194.177 2.838 10 0 AFAERN CC1(C)C[C@]1(C)C1=NC(=O)CS1 575562423 352686090 /nfs/dbraw/zinc/68/60/90/352686090.db2.gz SPKFMBCXMJHQIA-SECBINFHSA-N 0 0 183.276 2.536 10 0 AFAERN FC(F)(F)c1cc([C@H]2CO2)cs1 575562403 352686129 /nfs/dbraw/zinc/68/61/29/352686129.db2.gz OZESXZNAXGSBEH-RXMQYKEDSA-N 0 0 194.177 2.838 10 0 AFAERN CC1(C)C[C@@]1(C)C1=NC(=O)CS1 575562424 352686150 /nfs/dbraw/zinc/68/61/50/352686150.db2.gz SPKFMBCXMJHQIA-VIFPVBQESA-N 0 0 183.276 2.536 10 0 AFAERN Cc1sc([C@@]2(C)CC2(C)C)nc1N 575562642 352687295 /nfs/dbraw/zinc/68/72/95/352687295.db2.gz AGWOKOVJVPXEIR-SNVBAGLBSA-N 0 0 196.319 2.721 10 0 AFAERN Cc1c[nH]c(=S)n1C(C)(C)C(C)C 575562804 352688328 /nfs/dbraw/zinc/68/83/28/352688328.db2.gz DNCUEYBOVYBDAV-UHFFFAOYSA-N 0 0 198.335 2.871 10 0 AFAERN C[C@@H](n1cc[nH]c1=S)C1(C)CC1 575563445 352690793 /nfs/dbraw/zinc/69/07/93/352690793.db2.gz LIAPBOZCTILTBR-SSDOTTSWSA-N 0 0 182.292 2.533 10 0 AFAERN C[C@H](n1cc[nH]c1=S)C1(C)CC1 575563448 352691052 /nfs/dbraw/zinc/69/10/52/352691052.db2.gz LIAPBOZCTILTBR-ZETCQYMHSA-N 0 0 182.292 2.533 10 0 AFAERN C/C=C/[C@@H]([NH3+])c1sccc1C 575563839 352693023 /nfs/dbraw/zinc/69/30/23/352693023.db2.gz UXPXJNDHMOOJRC-MPJRPATESA-N 0 0 167.277 2.632 10 0 AFAERN C/C=C/[C@H]([NH3+])c1ccccc1Cl 575563869 352693033 /nfs/dbraw/zinc/69/30/33/352693033.db2.gz VTDLSYWOXDPFII-FWYAXHSGSA-N 0 0 181.666 2.916 10 0 AFAERN C/C=C/[C@H]([NH3+])c1sccc1C 575563843 352693058 /nfs/dbraw/zinc/69/30/58/352693058.db2.gz UXPXJNDHMOOJRC-RTMURIBGSA-N 0 0 167.277 2.632 10 0 AFAERN C/C=C/[C@@H]([NH3+])c1ccccc1Cl 575563872 352693064 /nfs/dbraw/zinc/69/30/64/352693064.db2.gz VTDLSYWOXDPFII-JYBNPQIESA-N 0 0 181.666 2.916 10 0 AFAERN CC1(Nc2ccccn2)CC=CC1 575565070 352699259 /nfs/dbraw/zinc/69/92/59/352699259.db2.gz BMKUEJSXZGDDMA-UHFFFAOYSA-N 0 0 174.247 2.602 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)c1cc[nH]c1 575565173 352700010 /nfs/dbraw/zinc/70/00/10/352700010.db2.gz FSTFXRJARMPTEG-LLVKDONJSA-N 0 0 177.247 2.634 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)c1cc[nH]c1 575565174 352700060 /nfs/dbraw/zinc/70/00/60/352700060.db2.gz FSTFXRJARMPTEG-NSHDSACASA-N 0 0 177.247 2.634 10 0 AFAERN Cc1nc(C(=O)[C@]2(C)C[C@@H]2C)cs1 575565602 352702088 /nfs/dbraw/zinc/70/20/88/352702088.db2.gz CJGCUJQGENQDGN-QUBYGPBYSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1nc(C(=O)[C@@]2(C)C[C@@H]2C)cs1 575565603 352702133 /nfs/dbraw/zinc/70/21/33/352702133.db2.gz CJGCUJQGENQDGN-WKEGUHRASA-N 0 0 195.287 2.680 10 0 AFAERN Cc1nc(C(=O)[C@]2(C)C[C@H]2C)cs1 575565600 352702212 /nfs/dbraw/zinc/70/22/12/352702212.db2.gz CJGCUJQGENQDGN-LHLIQPBNSA-N 0 0 195.287 2.680 10 0 AFAERN C[C@H](CF)Nc1cccc(Cl)n1 575565493 352702288 /nfs/dbraw/zinc/70/22/88/352702288.db2.gz BQYNXWAZGRCIRA-ZCFIWIBFSA-N 0 0 188.633 2.505 10 0 AFAERN C[C@@H](CF)Nc1cccc(Cl)n1 575565490 352702295 /nfs/dbraw/zinc/70/22/95/352702295.db2.gz BQYNXWAZGRCIRA-LURJTMIESA-N 0 0 188.633 2.505 10 0 AFAERN Cc1csc(NC2(C)CC=CC2)n1 575565869 352704343 /nfs/dbraw/zinc/70/43/43/352704343.db2.gz MMWVNRMNUJJVNV-UHFFFAOYSA-N 0 0 194.303 2.972 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)[C@@H]1CCCS1 575566155 352704819 /nfs/dbraw/zinc/70/48/19/352704819.db2.gz QXXUFEIMRPGBBY-GZMMTYOYSA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)[C@H]1CCCS1 575566156 352705144 /nfs/dbraw/zinc/70/51/44/352705144.db2.gz QXXUFEIMRPGBBY-KCJUWKMLSA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)[C@H]1CCCS1 575566349 352706297 /nfs/dbraw/zinc/70/62/97/352706297.db2.gz QXXUFEIMRPGBBY-LDYMZIIASA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)[C@@H]1CCCS1 575566345 352706458 /nfs/dbraw/zinc/70/64/58/352706458.db2.gz QXXUFEIMRPGBBY-KWQFWETISA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)C[C@]1(C)Cn1cc[nH]c1=S 575567201 352709930 /nfs/dbraw/zinc/70/99/30/352709930.db2.gz YQGCELHEDRWXKT-SNVBAGLBSA-N 0 0 196.319 2.608 10 0 AFAERN Cc1cn(C(C)(C)C(C)C)c(=S)[nH]1 575567128 352709942 /nfs/dbraw/zinc/70/99/42/352709942.db2.gz XPLPGOBBECTTEL-UHFFFAOYSA-N 0 0 198.335 2.871 10 0 AFAERN Cc1ccc([C@@H](O)C2CCCC2)[nH]1 575567115 352709961 /nfs/dbraw/zinc/70/99/61/352709961.db2.gz IFALCMXFAJFVCV-NSHDSACASA-N 0 0 179.263 2.547 10 0 AFAERN Cc1ccc([C@H](O)C2CCCC2)[nH]1 575567105 352709994 /nfs/dbraw/zinc/70/99/94/352709994.db2.gz IFALCMXFAJFVCV-LLVKDONJSA-N 0 0 179.263 2.547 10 0 AFAERN CC1(C)C[C@@]1(C)Cn1cc[nH]c1=S 575567185 352710197 /nfs/dbraw/zinc/71/01/97/352710197.db2.gz YQGCELHEDRWXKT-JTQLQIEISA-N 0 0 196.319 2.608 10 0 AFAERN Cc1ncc(C(=O)[C@]2(C)C[C@@H]2C)s1 575567831 352713166 /nfs/dbraw/zinc/71/31/66/352713166.db2.gz AJYVOMJHUKVKRM-QUBYGPBYSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncc(C(=O)[C@]2(C)C[C@H]2C)s1 575567825 352713219 /nfs/dbraw/zinc/71/32/19/352713219.db2.gz AJYVOMJHUKVKRM-LHLIQPBNSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncc(C(=O)[C@@]2(C)C[C@@H]2C)s1 575567838 352713273 /nfs/dbraw/zinc/71/32/73/352713273.db2.gz AJYVOMJHUKVKRM-WKEGUHRASA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncc(C(=O)[C@@]2(C)C[C@H]2C)s1 575567822 352713390 /nfs/dbraw/zinc/71/33/90/352713390.db2.gz AJYVOMJHUKVKRM-LDWIPMOCSA-N 0 0 195.287 2.680 10 0 AFAERN C[C@@H](CF)Nc1ccnc(Cl)c1 575567827 352713419 /nfs/dbraw/zinc/71/34/19/352713419.db2.gz CKSSLTORZTXIHH-LURJTMIESA-N 0 0 188.633 2.505 10 0 AFAERN C[C@H](CF)Nc1ccnc(Cl)c1 575567835 352713429 /nfs/dbraw/zinc/71/34/29/352713429.db2.gz CKSSLTORZTXIHH-ZCFIWIBFSA-N 0 0 188.633 2.505 10 0 AFAERN Cc1cc([C@@H](O)C(C)(C)C)c(C)[nH]1 575568048 352714635 /nfs/dbraw/zinc/71/46/35/352714635.db2.gz OTFPFCYHZUKPLE-SNVBAGLBSA-N 0 0 181.279 2.711 10 0 AFAERN Cc1cc(C(=O)[C@]2(C)C[C@@H]2C)sn1 575569046 352719059 /nfs/dbraw/zinc/71/90/59/352719059.db2.gz BJLZBTGYLPPVTF-QUBYGPBYSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1cc(C(=O)[C@@]2(C)C[C@H]2C)sn1 575569031 352719065 /nfs/dbraw/zinc/71/90/65/352719065.db2.gz BJLZBTGYLPPVTF-LDWIPMOCSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1cc(C(=O)[C@]2(C)C[C@H]2C)sn1 575569033 352719176 /nfs/dbraw/zinc/71/91/76/352719176.db2.gz BJLZBTGYLPPVTF-LHLIQPBNSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1cc(C(=O)[C@@]2(C)C[C@@H]2C)sn1 575569050 352719238 /nfs/dbraw/zinc/71/92/38/352719238.db2.gz BJLZBTGYLPPVTF-WKEGUHRASA-N 0 0 195.287 2.680 10 0 AFAERN CC[C@H](C)C(=O)[C@@]1(C)C[C@@H]1C 575569680 352721713 /nfs/dbraw/zinc/72/17/13/352721713.db2.gz DIPUQERDWPBGER-NRPADANISA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](C)C(=O)[C@]1(C)C[C@H]1C 575569688 352721723 /nfs/dbraw/zinc/72/17/23/352721723.db2.gz DIPUQERDWPBGER-QXFUBDJGSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](C)C(=O)[C@@]1(C)C[C@H]1C 575569695 352721872 /nfs/dbraw/zinc/72/18/72/352721872.db2.gz DIPUQERDWPBGER-XKSSXDPKSA-N 0 0 154.253 2.648 10 0 AFAERN CC1CCC([C@@](C)([NH3+])C(F)F)CC1 575569656 352721918 /nfs/dbraw/zinc/72/19/18/352721918.db2.gz HTPPPPSJLOJHBO-SFVIPPHHSA-N 0 0 191.265 2.795 10 0 AFAERN CC[C@H](C)C(=O)[C@]1(C)C[C@@H]1C 575569683 352721989 /nfs/dbraw/zinc/72/19/89/352721989.db2.gz DIPUQERDWPBGER-OYNCUSHFSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cc(-c2ncc(C=O)o2)cs1 575569761 352722658 /nfs/dbraw/zinc/72/26/58/352722658.db2.gz IXYPZWRMOWVSOS-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1ccc(-c2ccoc2)c(O)c1 575570131 352723916 /nfs/dbraw/zinc/72/39/16/352723916.db2.gz QTANHVJWOGSGBE-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN Cc1cocc1C(=O)[C@@]1(C)C[C@H]1C 575570680 352726704 /nfs/dbraw/zinc/72/67/04/352726704.db2.gz LJPDDOYAORCSOO-KCJUWKMLSA-N 0 0 178.231 2.817 10 0 AFAERN Cc1cocc1C(=O)[C@]1(C)C[C@H]1C 575570682 352726711 /nfs/dbraw/zinc/72/67/11/352726711.db2.gz LJPDDOYAORCSOO-LDYMZIIASA-N 0 0 178.231 2.817 10 0 AFAERN Cc1cocc1C(=O)[C@@]1(C)C[C@@H]1C 575570681 352726935 /nfs/dbraw/zinc/72/69/35/352726935.db2.gz LJPDDOYAORCSOO-KWQFWETISA-N 0 0 178.231 2.817 10 0 AFAERN Cc1cscc1-c1ncc(C=O)o1 575570857 352728199 /nfs/dbraw/zinc/72/81/99/352728199.db2.gz MPGJHBWEDZDXQH-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN C[C@H]1C[C@@]1(C)C(=O)C1CCSCC1 575572502 352736591 /nfs/dbraw/zinc/73/65/91/352736591.db2.gz OSSYSENDAAHIBI-GZMMTYOYSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)C1CCSCC1 575572505 352736664 /nfs/dbraw/zinc/73/66/64/352736664.db2.gz OSSYSENDAAHIBI-LDYMZIIASA-N 0 0 198.331 2.745 10 0 AFAERN C[C@H]1C[C@]1(C)C(=O)C1CCSCC1 575572504 352736819 /nfs/dbraw/zinc/73/68/19/352736819.db2.gz OSSYSENDAAHIBI-KWQFWETISA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)C1CCSCC1 575572503 352736831 /nfs/dbraw/zinc/73/68/31/352736831.db2.gz OSSYSENDAAHIBI-KCJUWKMLSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@H]1C[C@@]1(C)CNc1nccs1 575572619 352737461 /nfs/dbraw/zinc/73/74/61/352737461.db2.gz VWWHCZJEPQNBQK-CBAPKCEASA-N 0 0 182.292 2.601 10 0 AFAERN C[C@@H]1C[C@]1(C)CNc1nccs1 575572622 352737559 /nfs/dbraw/zinc/73/75/59/352737559.db2.gz VWWHCZJEPQNBQK-VXNVDRBHSA-N 0 0 182.292 2.601 10 0 AFAERN C[C@@H]1C[C@@]1(C)CNc1nccs1 575572618 352737595 /nfs/dbraw/zinc/73/75/95/352737595.db2.gz VWWHCZJEPQNBQK-APPZFPTMSA-N 0 0 182.292 2.601 10 0 AFAERN C[C@H]1C[C@]1(C)CNc1ccccn1 575572668 352737596 /nfs/dbraw/zinc/73/75/96/352737596.db2.gz WMCLQMOFGJPIQD-GXSJLCMTSA-N 0 0 176.263 2.540 10 0 AFAERN C[C@H]1C[C@]1(C)CNc1nccs1 575572620 352737605 /nfs/dbraw/zinc/73/76/05/352737605.db2.gz VWWHCZJEPQNBQK-IONNQARKSA-N 0 0 182.292 2.601 10 0 AFAERN C[C@@H]1C[C@]1(C)CNc1ccccn1 575572671 352737607 /nfs/dbraw/zinc/73/76/07/352737607.db2.gz WMCLQMOFGJPIQD-MWLCHTKSSA-N 0 0 176.263 2.540 10 0 AFAERN C[C@@H]1C[C@@]1(C)CNc1ccccn1 575572670 352737628 /nfs/dbraw/zinc/73/76/28/352737628.db2.gz WMCLQMOFGJPIQD-KOLCDFICSA-N 0 0 176.263 2.540 10 0 AFAERN N#CNCc1cc2cscc2s1 575573019 352739323 /nfs/dbraw/zinc/73/93/23/352739323.db2.gz YGWSPMKDAJQBGT-UHFFFAOYSA-N 0 0 194.284 2.533 10 0 AFAERN CC(C)CC(=O)[C@@]1(C)C[C@H]1C 575573162 352740116 /nfs/dbraw/zinc/74/01/16/352740116.db2.gz ULTRVXGFDHIKRO-SCZZXKLOSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)CC(=O)[C@]1(C)C[C@H]1C 575573161 352740192 /nfs/dbraw/zinc/74/01/92/352740192.db2.gz ULTRVXGFDHIKRO-PSASIEDQSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)CC(=O)[C@@]1(C)C[C@@H]1C 575573164 352740267 /nfs/dbraw/zinc/74/02/67/352740267.db2.gz ULTRVXGFDHIKRO-WPRPVWTQSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)CC(=O)[C@]1(C)C[C@@H]1C 575573163 352740324 /nfs/dbraw/zinc/74/03/24/352740324.db2.gz ULTRVXGFDHIKRO-WCBMZHEXSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ncsc1C(=O)[C@@]1(C)C[C@H]1C 575573263 352740744 /nfs/dbraw/zinc/74/07/44/352740744.db2.gz VXNHTQSZJWJQIR-LDWIPMOCSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncsc1C(=O)[C@@]1(C)C[C@@H]1C 575573267 352741088 /nfs/dbraw/zinc/74/10/88/352741088.db2.gz VXNHTQSZJWJQIR-WKEGUHRASA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncsc1C(=O)[C@]1(C)C[C@@H]1C 575573265 352741155 /nfs/dbraw/zinc/74/11/55/352741155.db2.gz VXNHTQSZJWJQIR-QUBYGPBYSA-N 0 0 195.287 2.680 10 0 AFAERN Cc1ncsc1C(=O)[C@]1(C)C[C@H]1C 575573264 352741251 /nfs/dbraw/zinc/74/12/51/352741251.db2.gz VXNHTQSZJWJQIR-LHLIQPBNSA-N 0 0 195.287 2.680 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)C1CCCC1 575573611 352742265 /nfs/dbraw/zinc/74/22/65/352742265.db2.gz WWZGDSZELIBKPY-LDYMZIIASA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C[C@@]1(C)C(=O)C1CCCC1 575573607 352742407 /nfs/dbraw/zinc/74/24/07/352742407.db2.gz WWZGDSZELIBKPY-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)C1CCCC1 575573609 352742546 /nfs/dbraw/zinc/74/25/46/352742546.db2.gz WWZGDSZELIBKPY-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C[C@]1(C)C(=O)C1CCCC1 575573610 352742612 /nfs/dbraw/zinc/74/26/12/352742612.db2.gz WWZGDSZELIBKPY-KWQFWETISA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C[C@]1(C)C(=O)c1ccsc1 575573802 352742980 /nfs/dbraw/zinc/74/29/80/352742980.db2.gz YITVGORJYVZESP-XVKPBYJWSA-N 0 0 180.272 2.977 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)c1ccsc1 575573801 352743068 /nfs/dbraw/zinc/74/30/68/352743068.db2.gz YITVGORJYVZESP-XCBNKYQSSA-N 0 0 180.272 2.977 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)c1ccoc1 575573825 352743076 /nfs/dbraw/zinc/74/30/76/352743076.db2.gz YOQZBECSQXMEBP-GMSGAONNSA-N 0 0 164.204 2.508 10 0 AFAERN C[C@H]1C[C@@]1(C)C(=O)c1ccoc1 575573826 352743095 /nfs/dbraw/zinc/74/30/95/352743095.db2.gz YOQZBECSQXMEBP-OIBJUYFYSA-N 0 0 164.204 2.508 10 0 AFAERN C[C@H]1C[C@@]1(C)C(=O)c1ccsc1 575573732 352743276 /nfs/dbraw/zinc/74/32/76/352743276.db2.gz YITVGORJYVZESP-OIBJUYFYSA-N 0 0 180.272 2.977 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)c1ccsc1 575573731 352743298 /nfs/dbraw/zinc/74/32/98/352743298.db2.gz YITVGORJYVZESP-GMSGAONNSA-N 0 0 180.272 2.977 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)c1ccoc1 575573828 352743712 /nfs/dbraw/zinc/74/37/12/352743712.db2.gz YOQZBECSQXMEBP-XCBNKYQSSA-N 0 0 164.204 2.508 10 0 AFAERN C[C@H]1C[C@]1(C)C(=O)c1ccoc1 575573829 352743714 /nfs/dbraw/zinc/74/37/14/352743714.db2.gz YOQZBECSQXMEBP-XVKPBYJWSA-N 0 0 164.204 2.508 10 0 AFAERN S=c1nc(C2CC2)cc(C2CC2)[nH]1 575574693 352747510 /nfs/dbraw/zinc/74/75/10/352747510.db2.gz VWXPOWWJWBKUQX-UHFFFAOYSA-N 0 0 192.287 2.520 10 0 AFAERN CC1(C)C(c2csc(=O)[nH]2)C1(C)C 575574710 352747557 /nfs/dbraw/zinc/74/75/57/352747557.db2.gz XQHHSCQIMQRJEK-UHFFFAOYSA-N 0 0 197.303 2.998 10 0 AFAERN CC1(C)CC(C(=O)c2cc[nH]c2)C1 575574999 352748750 /nfs/dbraw/zinc/74/87/50/352748750.db2.gz BLLIWVZNXAFSMX-UHFFFAOYSA-N 0 0 177.247 2.634 10 0 AFAERN CC1(C)CC(Cn2cc[nH]c2=S)C1 575574942 352748900 /nfs/dbraw/zinc/74/89/00/352748900.db2.gz MUKNRYQFEZMFSA-UHFFFAOYSA-N 0 0 196.319 2.608 10 0 AFAERN CC1(C)CC(C(=O)c2ccsn2)C1 575575016 352749509 /nfs/dbraw/zinc/74/95/09/352749509.db2.gz BSSKRPSVWSQVIV-UHFFFAOYSA-N 0 0 195.287 2.762 10 0 AFAERN Cc1c[nH]c(=S)n1[C@H](C)C1(C)CC1 575575221 352750029 /nfs/dbraw/zinc/75/00/29/352750029.db2.gz FUYRWSBJZYEGTP-MRVPVSSYSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1c[nH]c(=S)n1[C@@H](C)C1(C)CC1 575575222 352750341 /nfs/dbraw/zinc/75/03/41/352750341.db2.gz FUYRWSBJZYEGTP-QMMMGPOBSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1c[nH]c(=S)n1[C@@]1(C)CC1(C)C 575575227 352750529 /nfs/dbraw/zinc/75/05/29/352750529.db2.gz FZRGIBBDOXWWPE-JTQLQIEISA-N 0 0 196.319 2.625 10 0 AFAERN O=C(c1ccco1)[C@@H]1C[C@@H]2C[C@@H]2C1 575575438 352751703 /nfs/dbraw/zinc/75/17/03/352751703.db2.gz IOWQRZFCMDISMI-BRPSZJMVSA-N 0 0 176.215 2.508 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)c1cccs1 575575533 352751863 /nfs/dbraw/zinc/75/18/63/352751863.db2.gz HOIJJUVSRNJDNK-GMSGAONNSA-N 0 0 180.272 2.977 10 0 AFAERN C[C@H]1C[C@@]1(C)C(=O)c1ccco1 575575573 352752222 /nfs/dbraw/zinc/75/22/22/352752222.db2.gz HWKJRQAEUCVECU-OIBJUYFYSA-N 0 0 164.204 2.508 10 0 AFAERN C[C@H]1C[C@@]1(C)C(=O)c1cccs1 575575535 352752236 /nfs/dbraw/zinc/75/22/36/352752236.db2.gz HOIJJUVSRNJDNK-OIBJUYFYSA-N 0 0 180.272 2.977 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)c1cccs1 575575536 352752394 /nfs/dbraw/zinc/75/23/94/352752394.db2.gz HOIJJUVSRNJDNK-XCBNKYQSSA-N 0 0 180.272 2.977 10 0 AFAERN C[C@H]1C[C@]1(C)C(=O)c1ccco1 575575575 352752468 /nfs/dbraw/zinc/75/24/68/352752468.db2.gz HWKJRQAEUCVECU-XVKPBYJWSA-N 0 0 164.204 2.508 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)c1ccco1 575575574 352752587 /nfs/dbraw/zinc/75/25/87/352752587.db2.gz HWKJRQAEUCVECU-XCBNKYQSSA-N 0 0 164.204 2.508 10 0 AFAERN CC1(C)CC(C(=O)c2ccco2)C1 575575614 352752605 /nfs/dbraw/zinc/75/26/05/352752605.db2.gz IEGLRYGYSAMQLU-UHFFFAOYSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@H]1C[C@]1(C)C(=O)c1cccs1 575575539 352752627 /nfs/dbraw/zinc/75/26/27/352752627.db2.gz HOIJJUVSRNJDNK-XVKPBYJWSA-N 0 0 180.272 2.977 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)c1ccco1 575575572 352752630 /nfs/dbraw/zinc/75/26/30/352752630.db2.gz HWKJRQAEUCVECU-GMSGAONNSA-N 0 0 164.204 2.508 10 0 AFAERN Cc1cocc1C1CCC(=O)CC1 575575920 352754048 /nfs/dbraw/zinc/75/40/48/352754048.db2.gz GKPYGZHYKGUVLJ-UHFFFAOYSA-N 0 0 178.231 2.815 10 0 AFAERN c1ccc(NCc2ccsn2)cc1 575575978 352754660 /nfs/dbraw/zinc/75/46/60/352754660.db2.gz IBAAAKNRVQWYOV-UHFFFAOYSA-N 0 0 190.271 2.755 10 0 AFAERN O=C1CSC([C@@H]2CCCC23CC3)=N1 575576488 352756601 /nfs/dbraw/zinc/75/66/01/352756601.db2.gz YWDWNCUPUKVUKP-ZETCQYMHSA-N 0 0 195.287 2.896 10 0 AFAERN O=C1CSC([C@H]2CCCC23CC3)=N1 575576486 352756926 /nfs/dbraw/zinc/75/69/26/352756926.db2.gz YWDWNCUPUKVUKP-SSDOTTSWSA-N 0 0 195.287 2.896 10 0 AFAERN Cc1ncc(CNc2ccsc2)o1 575576440 352756940 /nfs/dbraw/zinc/75/69/40/352756940.db2.gz KPLFHTILIPYICA-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN CC1(C)CC(C(=O)C2CCC2)C1 575576555 352757561 /nfs/dbraw/zinc/75/75/61/352757561.db2.gz MPVWQXNPTLPIPI-UHFFFAOYSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ncsc1C1CCC(=O)CC1 575576809 352758532 /nfs/dbraw/zinc/75/85/32/352758532.db2.gz MQSAQICWCCNVAA-UHFFFAOYSA-N 0 0 195.287 2.678 10 0 AFAERN Cc1ccc(C(=O)[C@@]2(C)C[C@@H]2C)o1 575576885 352758923 /nfs/dbraw/zinc/75/89/23/352758923.db2.gz OMAHHGCZPRZSIE-CPCISQLKSA-N 0 0 178.231 2.817 10 0 AFAERN Cc1ccc(C(=O)[C@@]2(C)C[C@H]2C)o1 575576899 352758968 /nfs/dbraw/zinc/75/89/68/352758968.db2.gz OMAHHGCZPRZSIE-HQJQHLMTSA-N 0 0 178.231 2.817 10 0 AFAERN S=c1[nH]ccn1[C@@H]1CCC[C@@H]2C[C@@H]21 575576978 352759074 /nfs/dbraw/zinc/75/90/74/352759074.db2.gz WJXYUSBFTNEANE-HRDYMLBCSA-N 0 0 194.303 2.533 10 0 AFAERN Cc1ccc(C(=O)[C@]2(C)C[C@@H]2C)o1 575576907 352759162 /nfs/dbraw/zinc/75/91/62/352759162.db2.gz OMAHHGCZPRZSIE-WRWORJQWSA-N 0 0 178.231 2.817 10 0 AFAERN Cc1ccc(C(=O)[C@]2(C)C[C@H]2C)o1 575576901 352759211 /nfs/dbraw/zinc/75/92/11/352759211.db2.gz OMAHHGCZPRZSIE-RDDDGLTNSA-N 0 0 178.231 2.817 10 0 AFAERN S=c1[nH]ccn1[C@@H]1CCC[C@H]2C[C@H]21 575576975 352759283 /nfs/dbraw/zinc/75/92/83/352759283.db2.gz WJXYUSBFTNEANE-DJLDLDEBSA-N 0 0 194.303 2.533 10 0 AFAERN CC(C)(C)[C@@H]1C[C@@H]1c1n[n-]c(=S)o1 575577088 352759686 /nfs/dbraw/zinc/75/96/86/352759686.db2.gz DXLWUDBHWZJBNA-NTSWFWBYSA-N 0 0 198.291 2.508 10 0 AFAERN CC(C)(C)[C@H]1C[C@H]1c1n[n-]c(=S)o1 575577094 352759746 /nfs/dbraw/zinc/75/97/46/352759746.db2.gz DXLWUDBHWZJBNA-RITPCOANSA-N 0 0 198.291 2.508 10 0 AFAERN CC(C)(C)[C@@H]1C[C@H]1c1n[n-]c(=S)o1 575577091 352759952 /nfs/dbraw/zinc/75/99/52/352759952.db2.gz DXLWUDBHWZJBNA-PHDIDXHHSA-N 0 0 198.291 2.508 10 0 AFAERN CC(C)(C)[C@H]1C[C@@H]1c1n[n-]c(=S)o1 575577100 352760094 /nfs/dbraw/zinc/76/00/94/352760094.db2.gz DXLWUDBHWZJBNA-WDSKDSINSA-N 0 0 198.291 2.508 10 0 AFAERN Cc1cn([C@H](C)C2(C)CC2)c(=S)[nH]1 575577052 352760115 /nfs/dbraw/zinc/76/01/15/352760115.db2.gz CPZLEEBNLGFLQT-MRVPVSSYSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1cn([C@@H](C)C2(C)CC2)c(=S)[nH]1 575577054 352760137 /nfs/dbraw/zinc/76/01/37/352760137.db2.gz CPZLEEBNLGFLQT-QMMMGPOBSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1c[nH]c(=S)n1C[C@]1(C)C[C@@H]1C 575577219 352760498 /nfs/dbraw/zinc/76/04/98/352760498.db2.gz JZLZNIZYNWYBJH-XVKPBYJWSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1c[nH]c(=S)n1C[C@]1(C)C[C@H]1C 575577218 352760516 /nfs/dbraw/zinc/76/05/16/352760516.db2.gz JZLZNIZYNWYBJH-XCBNKYQSSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1c[nH]c(=S)n1C[C@@]1(C)C[C@@H]1C 575577217 352760522 /nfs/dbraw/zinc/76/05/22/352760522.db2.gz JZLZNIZYNWYBJH-OIBJUYFYSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1c[nH]c(=S)n1C[C@@]1(C)C[C@H]1C 575577216 352760642 /nfs/dbraw/zinc/76/06/42/352760642.db2.gz JZLZNIZYNWYBJH-GMSGAONNSA-N 0 0 196.319 2.526 10 0 AFAERN O=C(c1cccs1)[C@@H]1C[C@@H]2C[C@@H]2C1 575577384 352761428 /nfs/dbraw/zinc/76/14/28/352761428.db2.gz XDFRHFDAZYSUCH-BRPSZJMVSA-N 0 0 192.283 2.977 10 0 AFAERN Cc1nc(N[C@@]2(C)C[C@H]2C)sc1C 575577468 352761534 /nfs/dbraw/zinc/76/15/34/352761534.db2.gz CMSHQAVZAWCBNQ-LDWIPMOCSA-N 0 0 196.319 2.970 10 0 AFAERN Cc1nc(N[C@@]2(C)C[C@@H]2C)sc1C 575577489 352761818 /nfs/dbraw/zinc/76/18/18/352761818.db2.gz CMSHQAVZAWCBNQ-WKEGUHRASA-N 0 0 196.319 2.970 10 0 AFAERN Cc1c(Cl)ccc2c1O[C@@H](C)C2=O 575577507 352761865 /nfs/dbraw/zinc/76/18/65/352761865.db2.gz POPNUPUXYGWVSC-LURJTMIESA-N 0 0 196.633 2.612 10 0 AFAERN Cc1ccnc(N[C@@]2(C)C[C@H]2C)c1 575577519 352761984 /nfs/dbraw/zinc/76/19/84/352761984.db2.gz CTTRFXQPLJIQAW-KOLCDFICSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1csc([C@@H]2CC(=O)C2(C)C)n1 575577600 352762054 /nfs/dbraw/zinc/76/20/54/352762054.db2.gz IJGJUEZUPQOGBP-ZETCQYMHSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1csc([C@H]2CC(=O)C2(C)C)n1 575577596 352762125 /nfs/dbraw/zinc/76/21/25/352762125.db2.gz IJGJUEZUPQOGBP-SSDOTTSWSA-N 0 0 195.287 2.534 10 0 AFAERN Cc1ccnc(N[C@]2(C)C[C@@H]2C)c1 575577516 352762143 /nfs/dbraw/zinc/76/21/43/352762143.db2.gz CTTRFXQPLJIQAW-GXSJLCMTSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1nc(N[C@]2(C)C[C@@H]2C)sc1C 575577487 352762190 /nfs/dbraw/zinc/76/21/90/352762190.db2.gz CMSHQAVZAWCBNQ-QUBYGPBYSA-N 0 0 196.319 2.970 10 0 AFAERN Cc1ccnc(N[C@]2(C)C[C@H]2C)c1 575577521 352762196 /nfs/dbraw/zinc/76/21/96/352762196.db2.gz CTTRFXQPLJIQAW-MWLCHTKSSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1nc(N[C@]2(C)C[C@H]2C)sc1C 575577483 352762251 /nfs/dbraw/zinc/76/22/51/352762251.db2.gz CMSHQAVZAWCBNQ-LHLIQPBNSA-N 0 0 196.319 2.970 10 0 AFAERN Oc1c(F)cccc1-c1ccoc1 575577534 352762340 /nfs/dbraw/zinc/76/23/40/352762340.db2.gz HQBQSIHYZLDTNM-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN Cc1ccnc(N[C@@]2(C)C[C@@H]2C)c1 575577524 352762362 /nfs/dbraw/zinc/76/23/62/352762362.db2.gz CTTRFXQPLJIQAW-ONGXEEELSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1c(Cl)ccc2c1O[C@H](C)C2=O 575577530 352762370 /nfs/dbraw/zinc/76/23/70/352762370.db2.gz POPNUPUXYGWVSC-ZCFIWIBFSA-N 0 0 196.633 2.612 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)[C@@]1(C)CCCS1 575577758 352763672 /nfs/dbraw/zinc/76/36/72/352763672.db2.gz QROSPRRNXDTUAR-FBIMIBRVSA-N 0 0 198.331 2.887 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)[C@@]1(C)CCCS1 575577756 352763784 /nfs/dbraw/zinc/76/37/84/352763784.db2.gz QROSPRRNXDTUAR-DVVUODLYSA-N 0 0 198.331 2.887 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)[C@]1(C)CCCS1 575577760 352763872 /nfs/dbraw/zinc/76/38/72/352763872.db2.gz QROSPRRNXDTUAR-IEBDPFPHSA-N 0 0 198.331 2.887 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)[C@]1(C)CCCS1 575577762 352764069 /nfs/dbraw/zinc/76/40/69/352764069.db2.gz QROSPRRNXDTUAR-MIMYLULJSA-N 0 0 198.331 2.887 10 0 AFAERN Cc1cn([C@]2(C)CC2(C)C)c(=S)[nH]1 575578038 352765360 /nfs/dbraw/zinc/76/53/60/352765360.db2.gz WJOYECSLIBAKEI-SNVBAGLBSA-N 0 0 196.319 2.625 10 0 AFAERN S=c1[nH]ccn1[C@H]1CCCC12CC2 575578040 352765238 /nfs/dbraw/zinc/76/52/38/352765238.db2.gz WQMQPMSTAGGZLV-QMMMGPOBSA-N 0 0 194.303 2.677 10 0 AFAERN C[C@@H]1C[C@@]1(C)Nc1ccc(Cl)cn1 575578056 352765314 /nfs/dbraw/zinc/76/53/14/352765314.db2.gz FNRITYDXYMNZJB-GMSGAONNSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1C[C@]1(C)Nc1ccc(Cl)cn1 575578060 352765439 /nfs/dbraw/zinc/76/54/39/352765439.db2.gz FNRITYDXYMNZJB-XVKPBYJWSA-N 0 0 196.681 2.945 10 0 AFAERN S=c1[nH]ccn1[C@@H]1CCCC12CC2 575578039 352765455 /nfs/dbraw/zinc/76/54/55/352765455.db2.gz WQMQPMSTAGGZLV-MRVPVSSYSA-N 0 0 194.303 2.677 10 0 AFAERN C[C@H]1C[C@@]1(C)Nc1ccc(Cl)cn1 575578057 352765482 /nfs/dbraw/zinc/76/54/82/352765482.db2.gz FNRITYDXYMNZJB-OIBJUYFYSA-N 0 0 196.681 2.945 10 0 AFAERN Cc1cn([C@@]2(C)CC2(C)C)c(=S)[nH]1 575578037 352765501 /nfs/dbraw/zinc/76/55/01/352765501.db2.gz WJOYECSLIBAKEI-JTQLQIEISA-N 0 0 196.319 2.625 10 0 AFAERN C[C@@H]1C[C@]1(C)Nc1ccc(Cl)cn1 575578059 352765629 /nfs/dbraw/zinc/76/56/29/352765629.db2.gz FNRITYDXYMNZJB-XCBNKYQSSA-N 0 0 196.681 2.945 10 0 AFAERN CC1(C)CC(C(=O)c2ccc[nH]2)C1 575578118 352766099 /nfs/dbraw/zinc/76/60/99/352766099.db2.gz SBCLPZHWKMUABR-UHFFFAOYSA-N 0 0 177.247 2.634 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]1c1nc(C)cs1 575578419 352767594 /nfs/dbraw/zinc/76/75/94/352767594.db2.gz SDKXUKKECJJSGQ-YUMQZZPRSA-N 0 0 195.287 2.534 10 0 AFAERN CC[C@H]1C(=O)C[C@H]1c1nc(C)cs1 575578412 352767646 /nfs/dbraw/zinc/76/76/46/352767646.db2.gz SDKXUKKECJJSGQ-HTQZYQBOSA-N 0 0 195.287 2.534 10 0 AFAERN CC[C@H]1C(=O)C[C@@H]1c1nc(C)cs1 575578417 352767745 /nfs/dbraw/zinc/76/77/45/352767745.db2.gz SDKXUKKECJJSGQ-SFYZADRCSA-N 0 0 195.287 2.534 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]1c1nc(C)cs1 575578415 352767867 /nfs/dbraw/zinc/76/78/67/352767867.db2.gz SDKXUKKECJJSGQ-JGVFFNPUSA-N 0 0 195.287 2.534 10 0 AFAERN C[C@@H]1C[C@@]1(C)Nc1ncccc1Cl 575578704 352768483 /nfs/dbraw/zinc/76/84/83/352768483.db2.gz IAFRTXKBXKUTKJ-GMSGAONNSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1C[C@]1(C)Nc1ncccc1Cl 575578711 352768697 /nfs/dbraw/zinc/76/86/97/352768697.db2.gz IAFRTXKBXKUTKJ-XVKPBYJWSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1C[C@@]1(C)Nc1ncccc1Cl 575578707 352768743 /nfs/dbraw/zinc/76/87/43/352768743.db2.gz IAFRTXKBXKUTKJ-OIBJUYFYSA-N 0 0 196.681 2.945 10 0 AFAERN CC1(C)CC(C(=O)[C@@H]2CCCS2)C1 575578913 352769319 /nfs/dbraw/zinc/76/93/19/352769319.db2.gz VFGITRFRHNODOR-VIFPVBQESA-N 0 0 198.331 2.887 10 0 AFAERN Cc1cc(C(=O)C2(C)CC2)c(C)[nH]1 575578827 352769386 /nfs/dbraw/zinc/76/93/86/352769386.db2.gz FJVWAAZXVBGBPY-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN CC1(C)CC(C(=O)[C@H]2CCCS2)C1 575578896 352769560 /nfs/dbraw/zinc/76/95/60/352769560.db2.gz VFGITRFRHNODOR-SECBINFHSA-N 0 0 198.331 2.887 10 0 AFAERN Cc1ccc(N[C@]2(C)C[C@@H]2C)nc1 575579017 352770127 /nfs/dbraw/zinc/77/01/27/352770127.db2.gz JMFPZBNCCXFNNI-GXSJLCMTSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1ccc(N[C@]2(C)C[C@H]2C)nc1 575579029 352770212 /nfs/dbraw/zinc/77/02/12/352770212.db2.gz JMFPZBNCCXFNNI-MWLCHTKSSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1ccc(N[C@@]2(C)C[C@@H]2C)nc1 575579031 352770287 /nfs/dbraw/zinc/77/02/87/352770287.db2.gz JMFPZBNCCXFNNI-ONGXEEELSA-N 0 0 176.263 2.600 10 0 AFAERN C[C@H](CF)Nc1ncccc1Cl 575579136 352770605 /nfs/dbraw/zinc/77/06/05/352770605.db2.gz JXDPTPLWMKJBHF-ZCFIWIBFSA-N 0 0 188.633 2.505 10 0 AFAERN Cc1ccc(-c2ccc[nH]2)c(O)c1 575579139 352770615 /nfs/dbraw/zinc/77/06/15/352770615.db2.gz YQENCBLOAVKUIM-UHFFFAOYSA-N 0 0 173.215 2.696 10 0 AFAERN C[C@@H](CF)Nc1ncccc1Cl 575579134 352770684 /nfs/dbraw/zinc/77/06/84/352770684.db2.gz JXDPTPLWMKJBHF-LURJTMIESA-N 0 0 188.633 2.505 10 0 AFAERN Oc1c(F)cccc1-c1ccco1 575579337 352771361 /nfs/dbraw/zinc/77/13/61/352771361.db2.gz LKKRXUIUJQVKKE-UHFFFAOYSA-N 0 0 178.162 2.791 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)[C@@H]1CCCCS1 575579365 352771987 /nfs/dbraw/zinc/77/19/87/352771987.db2.gz XINAIWMCCVKACN-WCABBAIRSA-N 0 0 198.331 2.887 10 0 AFAERN CC1(C)CC(C(=O)c2ccoc2)C1 575579422 352772344 /nfs/dbraw/zinc/77/23/44/352772344.db2.gz YHKPIHLZBJHNBJ-UHFFFAOYSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)[C@@H]1CCCCS1 575579366 352772359 /nfs/dbraw/zinc/77/23/59/352772359.db2.gz XINAIWMCCVKACN-YWVKMMECSA-N 0 0 198.331 2.887 10 0 AFAERN C[C@@H]1C[C@]1(C)C(=O)[C@H]1CCCCS1 575579364 352772403 /nfs/dbraw/zinc/77/24/03/352772403.db2.gz XINAIWMCCVKACN-KKZNHRDASA-N 0 0 198.331 2.887 10 0 AFAERN C[C@@H]1C[C@@]1(C)C(=O)[C@H]1CCCCS1 575579363 352772420 /nfs/dbraw/zinc/77/24/20/352772420.db2.gz XINAIWMCCVKACN-FXPVBKGRSA-N 0 0 198.331 2.887 10 0 AFAERN CCc1csc(N[C@@]2(C)C[C@H]2C)n1 575579531 352772640 /nfs/dbraw/zinc/77/26/40/352772640.db2.gz MMQHRTXRRKQMJT-XCBNKYQSSA-N 0 0 196.319 2.916 10 0 AFAERN Cc1csc(N[C@]2(C)C[C@H]2C)n1 575579541 352772650 /nfs/dbraw/zinc/77/26/50/352772650.db2.gz MSZYTEXVHPYCIP-HZGVNTEJSA-N 0 0 182.292 2.662 10 0 AFAERN CCc1csc(N[C@@]2(C)C[C@@H]2C)n1 575579532 352772693 /nfs/dbraw/zinc/77/26/93/352772693.db2.gz MMQHRTXRRKQMJT-XVKPBYJWSA-N 0 0 196.319 2.916 10 0 AFAERN CCc1csc(N[C@]2(C)C[C@H]2C)n1 575579528 352772705 /nfs/dbraw/zinc/77/27/05/352772705.db2.gz MMQHRTXRRKQMJT-GMSGAONNSA-N 0 0 196.319 2.916 10 0 AFAERN Cc1csc(N[C@@]2(C)C[C@@H]2C)n1 575579544 352772719 /nfs/dbraw/zinc/77/27/19/352772719.db2.gz MSZYTEXVHPYCIP-RCOVLWMOSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1csc(N[C@@]2(C)C[C@H]2C)n1 575579543 352772769 /nfs/dbraw/zinc/77/27/69/352772769.db2.gz MSZYTEXVHPYCIP-MUWHJKNJSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1csc(N[C@]2(C)C[C@@H]2C)n1 575579542 352772777 /nfs/dbraw/zinc/77/27/77/352772777.db2.gz MSZYTEXVHPYCIP-IMTBSYHQSA-N 0 0 182.292 2.662 10 0 AFAERN Cc1cc(C(=O)C(C)(C)C)c(C)[nH]1 575579807 352773641 /nfs/dbraw/zinc/77/36/41/352773641.db2.gz NOGWLDOSKJDOJS-UHFFFAOYSA-N 0 0 179.263 2.860 10 0 AFAERN Cc1cccnc1N[C@]1(C)C[C@H]1C 575579959 352774329 /nfs/dbraw/zinc/77/43/29/352774329.db2.gz OXMYFVOFSPCDAD-MWLCHTKSSA-N 0 0 176.263 2.600 10 0 AFAERN C[C@@H](CF)Nc1ccc(Cl)cn1 575579892 352774345 /nfs/dbraw/zinc/77/43/45/352774345.db2.gz NUUWOSWOCNIMQP-LURJTMIESA-N 0 0 188.633 2.505 10 0 AFAERN C[C@H](CF)Nc1ccc(Cl)cn1 575579893 352774393 /nfs/dbraw/zinc/77/43/93/352774393.db2.gz NUUWOSWOCNIMQP-ZCFIWIBFSA-N 0 0 188.633 2.505 10 0 AFAERN C[C@@H]1C[C@H]1CNc1ccsc1 575579951 352774420 /nfs/dbraw/zinc/77/44/20/352774420.db2.gz OUHDDJVKAFAKPD-SFYZADRCSA-N 0 0 167.277 2.816 10 0 AFAERN C[C@H]1C[C@H]1CNc1ccsc1 575579952 352774425 /nfs/dbraw/zinc/77/44/25/352774425.db2.gz OUHDDJVKAFAKPD-YUMQZZPRSA-N 0 0 167.277 2.816 10 0 AFAERN Cc1cccnc1N[C@@]1(C)C[C@@H]1C 575579960 352774438 /nfs/dbraw/zinc/77/44/38/352774438.db2.gz OXMYFVOFSPCDAD-ONGXEEELSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccnc1N[C@@]1(C)C[C@H]1C 575579958 352774449 /nfs/dbraw/zinc/77/44/49/352774449.db2.gz OXMYFVOFSPCDAD-KOLCDFICSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccnc1N[C@]1(C)C[C@@H]1C 575579957 352774455 /nfs/dbraw/zinc/77/44/55/352774455.db2.gz OXMYFVOFSPCDAD-GXSJLCMTSA-N 0 0 176.263 2.600 10 0 AFAERN C[C@H]1C[C@@H]1CNc1ccsc1 575579950 352774460 /nfs/dbraw/zinc/77/44/60/352774460.db2.gz OUHDDJVKAFAKPD-JGVFFNPUSA-N 0 0 167.277 2.816 10 0 AFAERN C[C@@H]1C[C@@H]1CNc1ccsc1 575579949 352774492 /nfs/dbraw/zinc/77/44/92/352774492.db2.gz OUHDDJVKAFAKPD-HTQZYQBOSA-N 0 0 167.277 2.816 10 0 AFAERN Cc1cc(C(=O)C(C)(C)F)c(C)[nH]1 575580095 352775150 /nfs/dbraw/zinc/77/51/50/352775150.db2.gz VEPZYTVCEDPGKU-UHFFFAOYSA-N 0 0 183.226 2.562 10 0 AFAERN CCc1nc([C@H]2CC2(C)C)c(N)s1 575580542 352777758 /nfs/dbraw/zinc/77/77/58/352777758.db2.gz DECJDILDNLRPLF-ZCFIWIBFSA-N 0 0 196.319 2.801 10 0 AFAERN CCc1nc([C@@H]2CC2(C)C)c(N)s1 575580541 352778390 /nfs/dbraw/zinc/77/83/90/352778390.db2.gz DECJDILDNLRPLF-LURJTMIESA-N 0 0 196.319 2.801 10 0 AFAERN Cc1cccc(N[C@]2(C)C[C@H]2C)n1 575580896 352779411 /nfs/dbraw/zinc/77/94/11/352779411.db2.gz ZYOYVPVEEJWPBN-LDYMZIIASA-N 0 0 176.263 2.600 10 0 AFAERN Cc1nc([C@@H]2CC2(C)C)c(N)s1 575580823 352779453 /nfs/dbraw/zinc/77/94/53/352779453.db2.gz HHJQSCXFVOADPE-LURJTMIESA-N 0 0 182.292 2.547 10 0 AFAERN Cc1cccc(N[C@@]2(C)C[C@@H]2C)n1 575580895 352779543 /nfs/dbraw/zinc/77/95/43/352779543.db2.gz ZYOYVPVEEJWPBN-KWQFWETISA-N 0 0 176.263 2.600 10 0 AFAERN Cc1cccc(N[C@]2(C)C[C@@H]2C)n1 575580893 352779644 /nfs/dbraw/zinc/77/96/44/352779644.db2.gz ZYOYVPVEEJWPBN-GZMMTYOYSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1nc([C@H]2CC2(C)C)c(N)s1 575580824 352779750 /nfs/dbraw/zinc/77/97/50/352779750.db2.gz HHJQSCXFVOADPE-ZCFIWIBFSA-N 0 0 182.292 2.547 10 0 AFAERN C[C@H]1C[C@H]1c1nc(C2CC2)sc1N 575581118 352780353 /nfs/dbraw/zinc/78/03/53/352780353.db2.gz JYBOJKYDKFFJOW-CAHLUQPWSA-N 0 0 194.303 2.726 10 0 AFAERN CC1(C)C[C@H]1CNc1cnsc1 575581196 352780991 /nfs/dbraw/zinc/78/09/91/352780991.db2.gz LLMFFXHBTMLQKZ-ZETCQYMHSA-N 0 0 182.292 2.601 10 0 AFAERN C[C@@H]1C[C@H]1c1nc(C2CC2)sc1N 575581120 352781039 /nfs/dbraw/zinc/78/10/39/352781039.db2.gz JYBOJKYDKFFJOW-IYSWYEEDSA-N 0 0 194.303 2.726 10 0 AFAERN C[C@H]1C[C@@H]1c1nc(C2CC2)sc1N 575581119 352781144 /nfs/dbraw/zinc/78/11/44/352781144.db2.gz JYBOJKYDKFFJOW-FSPLSTOPSA-N 0 0 194.303 2.726 10 0 AFAERN C[C@@H]1C[C@@H]1c1nc(C2CC2)sc1N 575581121 352781323 /nfs/dbraw/zinc/78/13/23/352781323.db2.gz JYBOJKYDKFFJOW-VDTYLAMSSA-N 0 0 194.303 2.726 10 0 AFAERN CC1(C)C[C@@H]1CNc1cnsc1 575581195 352781356 /nfs/dbraw/zinc/78/13/56/352781356.db2.gz LLMFFXHBTMLQKZ-SSDOTTSWSA-N 0 0 182.292 2.601 10 0 AFAERN CCc1nc([C@@H]2CC23CC3)c(N)s1 575581502 352782929 /nfs/dbraw/zinc/78/29/29/352782929.db2.gz SAAMEIWSWVBRLF-LURJTMIESA-N 0 0 194.303 2.555 10 0 AFAERN CCc1nc([C@H]2CC23CC3)c(N)s1 575581503 352782936 /nfs/dbraw/zinc/78/29/36/352782936.db2.gz SAAMEIWSWVBRLF-ZCFIWIBFSA-N 0 0 194.303 2.555 10 0 AFAERN CC(C)c1nc([C@H]2C[C@H]2C)c(N)s1 575581565 352783385 /nfs/dbraw/zinc/78/33/85/352783385.db2.gz STORJKJXDXPHFP-RQJHMYQMSA-N 0 0 196.319 2.972 10 0 AFAERN c1csc(N[C@H]2CCCC23CC3)n1 575581557 352783472 /nfs/dbraw/zinc/78/34/72/352783472.db2.gz SQIGTZRPCBNJRX-QMMMGPOBSA-N 0 0 194.303 2.888 10 0 AFAERN c1csc(N[C@@H]2CCCC23CC3)n1 575581556 352783497 /nfs/dbraw/zinc/78/34/97/352783497.db2.gz SQIGTZRPCBNJRX-MRVPVSSYSA-N 0 0 194.303 2.888 10 0 AFAERN CC(C)c1nc([C@H]2C[C@@H]2C)c(N)s1 575581562 352783684 /nfs/dbraw/zinc/78/36/84/352783684.db2.gz STORJKJXDXPHFP-BQBZGAKWSA-N 0 0 196.319 2.972 10 0 AFAERN CC(C)c1nc([C@@H]2C[C@@H]2C)c(N)s1 575581563 352783687 /nfs/dbraw/zinc/78/36/87/352783687.db2.gz STORJKJXDXPHFP-NKWVEPMBSA-N 0 0 196.319 2.972 10 0 AFAERN CC(C)c1nc([C@@H]2C[C@H]2C)c(N)s1 575581564 352783692 /nfs/dbraw/zinc/78/36/92/352783692.db2.gz STORJKJXDXPHFP-RNFRBKRXSA-N 0 0 196.319 2.972 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)c1cnsc1 575582035 352785856 /nfs/dbraw/zinc/78/58/56/352785856.db2.gz BTICPQDGDDTSJG-JTQLQIEISA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)c1cnsc1 575582036 352786121 /nfs/dbraw/zinc/78/61/21/352786121.db2.gz BTICPQDGDDTSJG-SNVBAGLBSA-N 0 0 195.287 2.762 10 0 AFAERN S=c1[nH]ccn1C1CC2(CCC2)C1 575582204 352786818 /nfs/dbraw/zinc/78/68/18/352786818.db2.gz CVRXOLAWSINLQC-UHFFFAOYSA-N 0 0 194.303 2.677 10 0 AFAERN Cc1cn(C[C@@]2(C)C[C@@H]2C)c(=S)[nH]1 575582206 352786874 /nfs/dbraw/zinc/78/68/74/352786874.db2.gz DDJYZTMCBOZYQX-OIBJUYFYSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1cn(C[C@@]2(C)C[C@H]2C)c(=S)[nH]1 575582205 352787067 /nfs/dbraw/zinc/78/70/67/352787067.db2.gz DDJYZTMCBOZYQX-GMSGAONNSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1cn(C[C@]2(C)C[C@H]2C)c(=S)[nH]1 575582207 352787097 /nfs/dbraw/zinc/78/70/97/352787097.db2.gz DDJYZTMCBOZYQX-XCBNKYQSSA-N 0 0 196.319 2.526 10 0 AFAERN Cc1cn(C[C@]2(C)C[C@@H]2C)c(=S)[nH]1 575582211 352787120 /nfs/dbraw/zinc/78/71/20/352787120.db2.gz DDJYZTMCBOZYQX-XVKPBYJWSA-N 0 0 196.319 2.526 10 0 AFAERN C[C@]1(C(=O)[C@@H]2CC23CC3)CCCS1 575583217 352792142 /nfs/dbraw/zinc/79/21/42/352792142.db2.gz JUKCDHYJJCZMSJ-WCBMZHEXSA-N 0 0 196.315 2.641 10 0 AFAERN O=C([C@@H]1CCCCS1)[C@H]1CC12CC2 575583229 352792293 /nfs/dbraw/zinc/79/22/93/352792293.db2.gz KAZHLFNBWJJMIV-BDAKNGLRSA-N 0 0 196.315 2.641 10 0 AFAERN C[C@]1(C(=O)[C@H]2CC23CC3)CCCS1 575583215 352792209 /nfs/dbraw/zinc/79/22/09/352792209.db2.gz JUKCDHYJJCZMSJ-PSASIEDQSA-N 0 0 196.315 2.641 10 0 AFAERN C[C@@]1(C(=O)[C@@H]2CC23CC3)CCCS1 575583218 352792218 /nfs/dbraw/zinc/79/22/18/352792218.db2.gz JUKCDHYJJCZMSJ-WPRPVWTQSA-N 0 0 196.315 2.641 10 0 AFAERN O=C([C@@H]1CCCCS1)[C@@H]1CC12CC2 575583231 352792226 /nfs/dbraw/zinc/79/22/26/352792226.db2.gz KAZHLFNBWJJMIV-IUCAKERBSA-N 0 0 196.315 2.641 10 0 AFAERN O=C([C@H]1CCCCS1)[C@@H]1CC12CC2 575583230 352792242 /nfs/dbraw/zinc/79/22/42/352792242.db2.gz KAZHLFNBWJJMIV-DTWKUNHWSA-N 0 0 196.315 2.641 10 0 AFAERN C[C@@]1(C(=O)[C@H]2CC23CC3)CCCS1 575583216 352792301 /nfs/dbraw/zinc/79/23/01/352792301.db2.gz JUKCDHYJJCZMSJ-SCZZXKLOSA-N 0 0 196.315 2.641 10 0 AFAERN O=C([C@H]1CC12CC2)[C@H]1CCCCS1 575583232 352792430 /nfs/dbraw/zinc/79/24/30/352792430.db2.gz KAZHLFNBWJJMIV-RKDXNWHRSA-N 0 0 196.315 2.641 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)c1ccns1 575583550 352793653 /nfs/dbraw/zinc/79/36/53/352793653.db2.gz NQIURVJTPKRZGD-JTQLQIEISA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)c1ccns1 575583551 352793671 /nfs/dbraw/zinc/79/36/71/352793671.db2.gz NQIURVJTPKRZGD-SNVBAGLBSA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)c1cncs1 575583541 352793777 /nfs/dbraw/zinc/79/37/77/352793777.db2.gz NNEPEZQHHIXGGO-JTQLQIEISA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)c1cncs1 575583542 352793789 /nfs/dbraw/zinc/79/37/89/352793789.db2.gz NNEPEZQHHIXGGO-SNVBAGLBSA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)C[C@]1(C)C(=O)c1cscn1 575583843 352794386 /nfs/dbraw/zinc/79/43/86/352794386.db2.gz QJIBJCPMLXLFNZ-SNVBAGLBSA-N 0 0 195.287 2.762 10 0 AFAERN CC1(C)C[C@@]1(C)C(=O)c1cscn1 575583841 352794651 /nfs/dbraw/zinc/79/46/51/352794651.db2.gz QJIBJCPMLXLFNZ-JTQLQIEISA-N 0 0 195.287 2.762 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2CC23CC3)o1 575584291 352795834 /nfs/dbraw/zinc/79/58/34/352795834.db2.gz PIMVGNJKFCLSMV-QMMMGPOBSA-N 0 0 176.215 2.571 10 0 AFAERN Cc1ccc(C(=O)[C@H]2CC23CC3)o1 575584290 352795955 /nfs/dbraw/zinc/79/59/55/352795955.db2.gz PIMVGNJKFCLSMV-MRVPVSSYSA-N 0 0 176.215 2.571 10 0 AFAERN CC1(C)CCN1c1csc(C=O)c1 575584804 352799115 /nfs/dbraw/zinc/79/91/15/352799115.db2.gz RFVUIQXFVCKNBV-UHFFFAOYSA-N 0 0 195.287 2.549 10 0 AFAERN CC(C)Nc1ccc(O)cc1Cl 575585238 352801317 /nfs/dbraw/zinc/80/13/17/352801317.db2.gz DEQDZWVTVGITOL-UHFFFAOYSA-N 0 0 185.654 2.866 10 0 AFAERN CC1(C)CCN1c1ccc(C=O)s1 575585642 352803323 /nfs/dbraw/zinc/80/33/23/352803323.db2.gz WHOONZKKZDXDPP-UHFFFAOYSA-N 0 0 195.287 2.549 10 0 AFAERN Oc1ccc(NC2CC2)c(Cl)c1 575585787 352804082 /nfs/dbraw/zinc/80/40/82/352804082.db2.gz NKOKQKGGKZNOKS-UHFFFAOYSA-N 0 0 183.638 2.620 10 0 AFAERN CCCNc1ccc(O)cc1Cl 575586046 352805953 /nfs/dbraw/zinc/80/59/53/352805953.db2.gz SNAWBTZDFPHEGR-UHFFFAOYSA-N 0 0 185.654 2.868 10 0 AFAERN Cc1ncsc1-c1cccc(O)c1 575586524 352807411 /nfs/dbraw/zinc/80/74/11/352807411.db2.gz DMIZFWFOVSIEPU-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN C[C@@H]1CCCC[C@@H]1C(=O)C1CSC1 575586471 352807456 /nfs/dbraw/zinc/80/74/56/352807456.db2.gz CFWDAVIOKIVPJM-SCZZXKLOSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@H]1CCCC[C@H]1C(=O)C1CSC1 575586472 352807486 /nfs/dbraw/zinc/80/74/86/352807486.db2.gz CFWDAVIOKIVPJM-WCBMZHEXSA-N 0 0 198.331 2.745 10 0 AFAERN Oc1c(F)cccc1-c1cnsc1 575586462 352807590 /nfs/dbraw/zinc/80/75/90/352807590.db2.gz BZPIAKDRTAXCKY-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN C[C@H]1CCCC[C@@H]1C(=O)C1CSC1 575586473 352807690 /nfs/dbraw/zinc/80/76/90/352807690.db2.gz CFWDAVIOKIVPJM-WPRPVWTQSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1CCCC[C@H]1C(=O)C1CSC1 575586470 352807735 /nfs/dbraw/zinc/80/77/35/352807735.db2.gz CFWDAVIOKIVPJM-PSASIEDQSA-N 0 0 198.331 2.745 10 0 AFAERN Cc1ccc(-c2cnsc2)c(O)c1 575586537 352808135 /nfs/dbraw/zinc/80/81/35/352808135.db2.gz DUSKKXFOADECEG-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc(C)c(C(=O)C(C)(C)F)[nH]1 575586685 352808882 /nfs/dbraw/zinc/80/88/82/352808882.db2.gz FRMAKELBLNHBJQ-UHFFFAOYSA-N 0 0 183.226 2.562 10 0 AFAERN C[C@H]1CCCC[C@@H]1C(=O)C(F)(F)F 575586724 352809001 /nfs/dbraw/zinc/80/90/01/352809001.db2.gz GPRIUXBTMSCPME-BQBZGAKWSA-N 0 0 194.196 2.944 10 0 AFAERN C[C@@H]1CCCC[C@@H]1C(=O)C(F)(F)F 575586727 352809119 /nfs/dbraw/zinc/80/91/19/352809119.db2.gz GPRIUXBTMSCPME-RQJHMYQMSA-N 0 0 194.196 2.944 10 0 AFAERN C[C@@H]1CCCC[C@H]1C(=O)C(F)(F)F 575586726 352809144 /nfs/dbraw/zinc/80/91/44/352809144.db2.gz GPRIUXBTMSCPME-RNFRBKRXSA-N 0 0 194.196 2.944 10 0 AFAERN C[C@H]1CCCC[C@H]1C(=O)C(F)(F)F 575586725 352809169 /nfs/dbraw/zinc/80/91/69/352809169.db2.gz GPRIUXBTMSCPME-NKWVEPMBSA-N 0 0 194.196 2.944 10 0 AFAERN Cc1cc(O)ccc1-c1cncs1 575586907 352809807 /nfs/dbraw/zinc/80/98/07/352809807.db2.gz JEYFTBHPMTWIDY-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Oc1c(F)cccc1-c1ccsn1 575587133 352810674 /nfs/dbraw/zinc/81/06/74/352810674.db2.gz LNHVSNZHUHOHTE-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Cc1ncc(-c2ccccc2O)s1 575587188 352811406 /nfs/dbraw/zinc/81/14/06/352811406.db2.gz CBEUEFYGEIKVPY-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN O=c1ccc2ccc(F)c(Cl)c2[nH]1 575587277 352811819 /nfs/dbraw/zinc/81/18/19/352811819.db2.gz GFDFZAKLWPUHKV-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN Cc1ccc(C(=O)C(C)(C)C)[nH]1 575587446 352811882 /nfs/dbraw/zinc/81/18/82/352811882.db2.gz DWEDRGJIVKMRLE-UHFFFAOYSA-N 0 0 165.236 2.552 10 0 AFAERN Oc1c(F)cccc1-c1cscn1 575587769 352814060 /nfs/dbraw/zinc/81/40/60/352814060.db2.gz MZWZULLEBFGZEM-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Oc1ccc(F)cc1-c1cncs1 575587876 352814132 /nfs/dbraw/zinc/81/41/32/352814132.db2.gz NPSKQGVOWDEBJH-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Oc1cc(F)ccc1-c1cncs1 575587884 352814287 /nfs/dbraw/zinc/81/42/87/352814287.db2.gz NSKNEHLRELOEAV-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN C[C@H]1C[C@@]1(C)Nc1ccnc(Cl)c1 575587938 352814885 /nfs/dbraw/zinc/81/48/85/352814885.db2.gz AHCRWIBSUJHLBV-OIBJUYFYSA-N 0 0 196.681 2.945 10 0 AFAERN Cc1cc(C)c(C(=O)C2(C)CC2)[nH]1 575587996 352814974 /nfs/dbraw/zinc/81/49/74/352814974.db2.gz PMIDOAYVMIMLCI-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN Cc1ccc(O)cc1-c1cncs1 575587927 352815054 /nfs/dbraw/zinc/81/50/54/352815054.db2.gz ONGLZXLIDGLZNO-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN C[C@H]1C[C@]1(C)Nc1ccnc(Cl)c1 575587940 352815063 /nfs/dbraw/zinc/81/50/63/352815063.db2.gz AHCRWIBSUJHLBV-XVKPBYJWSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1C[C@@]1(C)Nc1ccnc(Cl)c1 575587937 352815254 /nfs/dbraw/zinc/81/52/54/352815254.db2.gz AHCRWIBSUJHLBV-GMSGAONNSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1C[C@]1(C)Nc1ccnc(Cl)c1 575587939 352815280 /nfs/dbraw/zinc/81/52/80/352815280.db2.gz AHCRWIBSUJHLBV-XCBNKYQSSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1CCCC[C@@H]1[C@@H]1CSCC1=O 575588517 352818267 /nfs/dbraw/zinc/81/82/67/352818267.db2.gz QICMULFVHYEKRP-UTLUCORTSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1CCCC[C@H]1[C@@H]1CSCC1=O 575588509 352818489 /nfs/dbraw/zinc/81/84/89/352818489.db2.gz QICMULFVHYEKRP-BBBLOLIVSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1CCCC[C@@H]1[C@H]1CSCC1=O 575588511 352818637 /nfs/dbraw/zinc/81/86/37/352818637.db2.gz QICMULFVHYEKRP-KXUCPTDWSA-N 0 0 198.331 2.745 10 0 AFAERN C[C@@H]1CCCC[C@H]1[C@H]1CSCC1=O 575588514 352818669 /nfs/dbraw/zinc/81/86/69/352818669.db2.gz QICMULFVHYEKRP-OPRDCNLKSA-N 0 0 198.331 2.745 10 0 AFAERN Oc1c(F)cccc1-c1ccns1 575588502 352818801 /nfs/dbraw/zinc/81/88/01/352818801.db2.gz QEJCTXQUSMMALD-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Cc1ccc(C(=O)C2CC(C)C2)[nH]1 575588875 352820449 /nfs/dbraw/zinc/82/04/49/352820449.db2.gz KJWZWFPLOOYCCG-UHFFFAOYSA-N 0 0 177.247 2.552 10 0 AFAERN Cc1ccc(C(=O)C2CCCC2)[nH]1 575588926 352820611 /nfs/dbraw/zinc/82/06/11/352820611.db2.gz KPUVRTNHSUFFMZ-UHFFFAOYSA-N 0 0 177.247 2.696 10 0 AFAERN Cc1ccc(C(=O)[C@H]2CC2(C)C)[nH]1 575588881 352820633 /nfs/dbraw/zinc/82/06/33/352820633.db2.gz KKWPTVIUYBOFFP-MRVPVSSYSA-N 0 0 177.247 2.552 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2CC2(C)C)[nH]1 575588882 352820656 /nfs/dbraw/zinc/82/06/56/352820656.db2.gz KKWPTVIUYBOFFP-QMMMGPOBSA-N 0 0 177.247 2.552 10 0 AFAERN Cc1ncsc1-c1ccccc1O 575589575 352823052 /nfs/dbraw/zinc/82/30/52/352823052.db2.gz MJQVJDCMWZSOGX-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN C[C@H]1CCCC[C@@H]1C(=O)C(F)F 575589595 352823483 /nfs/dbraw/zinc/82/34/83/352823483.db2.gz WLRMCBONMAYVPR-BQBZGAKWSA-N 0 0 176.206 2.647 10 0 AFAERN C[C@H]1CCCC[C@H]1C(=O)C(F)F 575589602 352823529 /nfs/dbraw/zinc/82/35/29/352823529.db2.gz WLRMCBONMAYVPR-NKWVEPMBSA-N 0 0 176.206 2.647 10 0 AFAERN C[C@@H]1CCCC[C@@H]1C(=O)C(F)F 575589624 352823638 /nfs/dbraw/zinc/82/36/38/352823638.db2.gz WLRMCBONMAYVPR-RQJHMYQMSA-N 0 0 176.206 2.647 10 0 AFAERN C[C@@H]1CCCC[C@H]1C(=O)C(F)F 575589613 352823788 /nfs/dbraw/zinc/82/37/88/352823788.db2.gz WLRMCBONMAYVPR-RNFRBKRXSA-N 0 0 176.206 2.647 10 0 AFAERN CCCNc1ccnc2sncc12 575589646 352824022 /nfs/dbraw/zinc/82/40/22/352824022.db2.gz XANXMQRJNRCHBL-UHFFFAOYSA-N 0 0 193.275 2.513 10 0 AFAERN Oc1cnc2c(Cl)c(F)ccc2c1 575589828 352824540 /nfs/dbraw/zinc/82/45/40/352824540.db2.gz XPOPJXKAXSFMQP-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN Cc1c[nH]c(=S)n1CC1CC(C)C1 575589842 352824798 /nfs/dbraw/zinc/82/47/98/352824798.db2.gz YJSMWZKQFKVJAH-UHFFFAOYSA-N 0 0 196.319 2.526 10 0 AFAERN Oc1cc(F)cc(-c2cncs2)c1 575589910 352825359 /nfs/dbraw/zinc/82/53/59/352825359.db2.gz XVEGYBWYMHDPSR-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN S=c1[nH]c(C2(Cl)CC2)cs1 575589852 352825621 /nfs/dbraw/zinc/82/56/21/352825621.db2.gz YQDMOXBFNKBJKQ-UHFFFAOYSA-N 0 0 191.708 2.660 10 0 AFAERN Oc1c(F)cccc1-c1cncs1 575590133 352826292 /nfs/dbraw/zinc/82/62/92/352826292.db2.gz ZQSFCNLJJNBTSM-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Oc1ccc(-c2cncs2)c(F)c1 575590096 352826487 /nfs/dbraw/zinc/82/64/87/352826487.db2.gz ZJCORHRXWZZENF-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Nc1csc([C@H]2CCCC23CC3)n1 575590384 352827821 /nfs/dbraw/zinc/82/78/21/352827821.db2.gz HFRYXZYRQWCXLL-SSDOTTSWSA-N 0 0 194.303 2.773 10 0 AFAERN Nc1csc([C@@H]2CCCC23CC3)n1 575590448 352827930 /nfs/dbraw/zinc/82/79/30/352827930.db2.gz HFRYXZYRQWCXLL-ZETCQYMHSA-N 0 0 194.303 2.773 10 0 AFAERN Cc1ccc(C(=O)c2cccs2)[nH]1 575590388 352827949 /nfs/dbraw/zinc/82/79/49/352827949.db2.gz PCNMLZPVSYOKEC-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN Cc1ccc(C(=O)c2ccsc2)[nH]1 575590772 352828620 /nfs/dbraw/zinc/82/86/20/352828620.db2.gz PTNTUMHYUMLLCT-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN Cc1ccc(C(=O)[C@@]2(C)C[C@@H]2C)[nH]1 575590947 352829922 /nfs/dbraw/zinc/82/99/22/352829922.db2.gz RFAKAFRCAMLAPR-CPCISQLKSA-N 0 0 177.247 2.552 10 0 AFAERN Cc1ccc(C(=O)[C@]2(C)C[C@H]2C)[nH]1 575590952 352829983 /nfs/dbraw/zinc/82/99/83/352829983.db2.gz RFAKAFRCAMLAPR-RDDDGLTNSA-N 0 0 177.247 2.552 10 0 AFAERN Cc1ccc(C(=O)[C@]2(C)C[C@@H]2C)[nH]1 575590954 352829995 /nfs/dbraw/zinc/82/99/95/352829995.db2.gz RFAKAFRCAMLAPR-WRWORJQWSA-N 0 0 177.247 2.552 10 0 AFAERN Cc1ncc(-c2cccc(O)c2)s1 575591000 352830111 /nfs/dbraw/zinc/83/01/11/352830111.db2.gz RQJOLIZZVDIJCK-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ccc(-c2cncs2)c(O)c1 575591247 352831127 /nfs/dbraw/zinc/83/11/27/352831127.db2.gz SKEGHDTWLVWEHJ-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN C[C@H]1CCN1c1c(N)cccc1Cl 575591168 352831425 /nfs/dbraw/zinc/83/14/25/352831425.db2.gz MXXTZVDGZAENLR-ZETCQYMHSA-N 0 0 196.681 2.521 10 0 AFAERN C[C@@H]1CCN1c1c(N)cccc1Cl 575591167 352831499 /nfs/dbraw/zinc/83/14/99/352831499.db2.gz MXXTZVDGZAENLR-SSDOTTSWSA-N 0 0 196.681 2.521 10 0 AFAERN Nc1c(Cl)sc2c1C1(CC2)CC1 575592388 352837521 /nfs/dbraw/zinc/83/75/21/352837521.db2.gz QYVUSPPFQUYXPB-UHFFFAOYSA-N 0 0 199.706 2.962 10 0 AFAERN C[C@H]1CCN1c1cccc(Cl)c1N 575592537 352839223 /nfs/dbraw/zinc/83/92/23/352839223.db2.gz VRPYNVFRBYQQIY-ZETCQYMHSA-N 0 0 196.681 2.521 10 0 AFAERN C[C@H]1C[C@@]1(C)Nc1cccc(Cl)n1 575592955 352839926 /nfs/dbraw/zinc/83/99/26/352839926.db2.gz ZFLNCYHDMGYTEQ-OIBJUYFYSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1C[C@@]1(C)Nc1cccc(Cl)n1 575592954 352840126 /nfs/dbraw/zinc/84/01/26/352840126.db2.gz ZFLNCYHDMGYTEQ-GMSGAONNSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1C[C@]1(C)Nc1cccc(Cl)n1 575592957 352840146 /nfs/dbraw/zinc/84/01/46/352840146.db2.gz ZFLNCYHDMGYTEQ-XVKPBYJWSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1C[C@]1(C)Nc1cccc(Cl)n1 575592956 352840409 /nfs/dbraw/zinc/84/04/09/352840409.db2.gz ZFLNCYHDMGYTEQ-XCBNKYQSSA-N 0 0 196.681 2.945 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1[C@@H]1CC[C@@H]2C[C@@H]2C1 575593682 352845189 /nfs/dbraw/zinc/84/51/89/352845189.db2.gz MRGSYNKUAHRFAI-PZWNZHSQSA-N 0 0 178.275 2.648 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1[C@@H]1CC[C@H]2C[C@H]2C1 575593679 352845210 /nfs/dbraw/zinc/84/52/10/352845210.db2.gz MRGSYNKUAHRFAI-KZZRWZIVSA-N 0 0 178.275 2.648 10 0 AFAERN C[C@H](c1nccc(F)n1)C(C)(C)C 575594505 352850112 /nfs/dbraw/zinc/85/01/12/352850112.db2.gz DVLXOTVCEPLBSL-SSDOTTSWSA-N 0 0 182.242 2.765 10 0 AFAERN C[C@@H](c1nccc(F)n1)C(C)(C)C 575594506 352850118 /nfs/dbraw/zinc/85/01/18/352850118.db2.gz DVLXOTVCEPLBSL-ZETCQYMHSA-N 0 0 182.242 2.765 10 0 AFAERN Clc1noc(C2CC3(CCC3)C2)n1 575594682 352850559 /nfs/dbraw/zinc/85/05/59/352850559.db2.gz NQEBFLHJYXIQQM-UHFFFAOYSA-N 0 0 198.653 2.771 10 0 AFAERN Clc1nnc([C@@H]2CCCC23CC3)o1 575594699 352850591 /nfs/dbraw/zinc/85/05/91/352850591.db2.gz OTNQJTPDHCONNN-LURJTMIESA-N 0 0 198.653 2.771 10 0 AFAERN Clc1nnc([C@H]2CCCC23CC3)o1 575594701 352850666 /nfs/dbraw/zinc/85/06/66/352850666.db2.gz OTNQJTPDHCONNN-ZCFIWIBFSA-N 0 0 198.653 2.771 10 0 AFAERN CC(C)[C@H](C)c1nc(F)cc(F)n1 575594867 352851372 /nfs/dbraw/zinc/85/13/72/352851372.db2.gz YQIVKTOYZBWZIJ-LURJTMIESA-N 0 0 186.205 2.514 10 0 AFAERN CC(C)[C@@H](C)c1nc(F)cc(F)n1 575594868 352851407 /nfs/dbraw/zinc/85/14/07/352851407.db2.gz YQIVKTOYZBWZIJ-ZCFIWIBFSA-N 0 0 186.205 2.514 10 0 AFAERN CCC1CN(c2ccnc(Cl)c2)C1 575594869 352851477 /nfs/dbraw/zinc/85/14/77/352851477.db2.gz ZGULNWDQBPRULB-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN CC(C)[C@@H]1CCCN[C@@H]1C(F)(F)F 575595194 352853397 /nfs/dbraw/zinc/85/33/97/352853397.db2.gz XBENCYCYMRTRSZ-YUMQZZPRSA-N 0 0 195.228 2.573 10 0 AFAERN CC(C)[C@H]1CCCN[C@H]1C(F)(F)F 575595191 352853499 /nfs/dbraw/zinc/85/34/99/352853499.db2.gz XBENCYCYMRTRSZ-HTQZYQBOSA-N 0 0 195.228 2.573 10 0 AFAERN CC(C)[C@H]1CCCN[C@@H]1C(F)(F)F 575595193 352853649 /nfs/dbraw/zinc/85/36/49/352853649.db2.gz XBENCYCYMRTRSZ-SFYZADRCSA-N 0 0 195.228 2.573 10 0 AFAERN CC(C)[C@@H]1CCCN[C@H]1C(F)(F)F 575595192 352853823 /nfs/dbraw/zinc/85/38/23/352853823.db2.gz XBENCYCYMRTRSZ-JGVFFNPUSA-N 0 0 195.228 2.573 10 0 AFAERN CCC(C)(C)C(=O)C(F)(F)Cl 575595354 352854454 /nfs/dbraw/zinc/85/44/54/352854454.db2.gz DRIZHOZTMFVJEP-UHFFFAOYSA-N 0 0 184.613 2.823 10 0 AFAERN CC(C)c1nc(F)cc(C2CC2)n1 575595411 352855368 /nfs/dbraw/zinc/85/53/68/352855368.db2.gz HNVZZOGKJLFVPX-UHFFFAOYSA-N 0 0 180.226 2.617 10 0 AFAERN CCC(C)(C)C(=O)[C@@H]1C[C@H]1C 575595540 352855973 /nfs/dbraw/zinc/85/59/73/352855973.db2.gz OPLWRBJGVBUNHD-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(C)(C)C(=O)[C@H]1C[C@@H]1C 575595543 352856369 /nfs/dbraw/zinc/85/63/69/352856369.db2.gz OPLWRBJGVBUNHD-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(C)(C)C(=O)[C@@H]1C[C@@H]1C 575595541 352856144 /nfs/dbraw/zinc/85/61/44/352856144.db2.gz OPLWRBJGVBUNHD-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(C)(C)C(=O)[C@H]1C[C@H]1C 575595542 352856326 /nfs/dbraw/zinc/85/63/26/352856326.db2.gz OPLWRBJGVBUNHD-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN Clc1nc([C@@H]2CC[C@H]3C[C@H]3C2)no1 575595841 352857056 /nfs/dbraw/zinc/85/70/56/352857056.db2.gz AHEMVWSIGVSPLR-XVMARJQXSA-N 0 0 198.653 2.627 10 0 AFAERN Clc1nc([C@@H]2CC[C@@H]3C[C@@H]3C2)no1 575595835 352857061 /nfs/dbraw/zinc/85/70/61/352857061.db2.gz AHEMVWSIGVSPLR-FSDSQADBSA-N 0 0 198.653 2.627 10 0 AFAERN Cc1nnc(Cl)n1[C@@H](C)C1(C)CC1 575595993 352857389 /nfs/dbraw/zinc/85/73/89/352857389.db2.gz MGAHXVOBDOCROF-LURJTMIESA-N 0 0 199.685 2.601 10 0 AFAERN CC1(C)C[C@@]1(C)c1nccc(Cl)n1 575595995 352857549 /nfs/dbraw/zinc/85/75/49/352857549.db2.gz CMQQTUMCRFFJKF-JTQLQIEISA-N 0 0 196.681 2.818 10 0 AFAERN C[C@@H]1CCCCc2cnc(Cl)nc21 575595950 352857552 /nfs/dbraw/zinc/85/75/52/352857552.db2.gz BATQNEQDXIQUHF-SSDOTTSWSA-N 0 0 196.681 2.960 10 0 AFAERN C[C@H]1CCCCc2cnc(Cl)nc21 575595953 352857670 /nfs/dbraw/zinc/85/76/70/352857670.db2.gz BATQNEQDXIQUHF-ZETCQYMHSA-N 0 0 196.681 2.960 10 0 AFAERN CC1(C)C[C@]1(C)c1nccc(Cl)n1 575596001 352857722 /nfs/dbraw/zinc/85/77/22/352857722.db2.gz CMQQTUMCRFFJKF-SNVBAGLBSA-N 0 0 196.681 2.818 10 0 AFAERN Cc1nnc(Cl)n1[C@H](C)C1(C)CC1 575595997 352857756 /nfs/dbraw/zinc/85/77/56/352857756.db2.gz MGAHXVOBDOCROF-ZCFIWIBFSA-N 0 0 199.685 2.601 10 0 AFAERN CC[C@@H](C)c1nc(F)c(C)c(F)n1 575596175 352858154 /nfs/dbraw/zinc/85/81/54/352858154.db2.gz UPNJWMYBPMMGRA-RXMQYKEDSA-N 0 0 186.205 2.577 10 0 AFAERN CC(C)(C)Sc1ccnc(F)n1 575596182 352858186 /nfs/dbraw/zinc/85/81/86/352858186.db2.gz UWSOTFIIYXTXTD-UHFFFAOYSA-N 0 0 186.255 2.506 10 0 AFAERN CC[C@H](C)c1nc(F)c(C)c(F)n1 575596180 352858188 /nfs/dbraw/zinc/85/81/88/352858188.db2.gz UPNJWMYBPMMGRA-YFKPBYRVSA-N 0 0 186.205 2.577 10 0 AFAERN Fc1ccnc([C@H]2CCCCS2)n1 575596667 352858521 /nfs/dbraw/zinc/85/85/21/352858521.db2.gz CQZZSJDREPWGGR-SSDOTTSWSA-N 0 0 198.266 2.574 10 0 AFAERN C[C@H]1CN(c2ccnc(Cl)c2)[C@H]1C 575596596 352858556 /nfs/dbraw/zinc/85/85/56/352858556.db2.gz OSTLBSJUNXSVSF-YUMQZZPRSA-N 0 0 196.681 2.580 10 0 AFAERN C[C@@H]1CN(c2ccnc(Cl)c2)[C@@H]1C 575596586 352858566 /nfs/dbraw/zinc/85/85/66/352858566.db2.gz OSTLBSJUNXSVSF-HTQZYQBOSA-N 0 0 196.681 2.580 10 0 AFAERN Clc1nnc([C@@]23CCCC[C@@H]2C3)o1 575596892 352858611 /nfs/dbraw/zinc/85/86/11/352858611.db2.gz OVKYORBQWRIPEY-HZGVNTEJSA-N 0 0 198.653 2.555 10 0 AFAERN C[C@H]1CN(c2ccnc(Cl)c2)[C@@H]1C 575596593 352858636 /nfs/dbraw/zinc/85/86/36/352858636.db2.gz OSTLBSJUNXSVSF-JGVFFNPUSA-N 0 0 196.681 2.580 10 0 AFAERN CC(C)(C)c1nc(F)cc(Cl)n1 575596697 352858647 /nfs/dbraw/zinc/85/86/47/352858647.db2.gz BEJOVBYVLMIWID-UHFFFAOYSA-N 0 0 188.633 2.567 10 0 AFAERN C[C@H]1[C@H](C)CN1c1ccnc(Cl)c1 575596595 352858788 /nfs/dbraw/zinc/85/87/88/352858788.db2.gz OSTLBSJUNXSVSF-SFYZADRCSA-N 0 0 196.681 2.580 10 0 AFAERN Fc1ccnc([C@@H]2CCCCS2)n1 575596690 352858809 /nfs/dbraw/zinc/85/88/09/352858809.db2.gz CQZZSJDREPWGGR-ZETCQYMHSA-N 0 0 198.266 2.574 10 0 AFAERN Clc1nnc([C@]23CCCC[C@H]2C3)o1 575596906 352859115 /nfs/dbraw/zinc/85/91/15/352859115.db2.gz OVKYORBQWRIPEY-RCOVLWMOSA-N 0 0 198.653 2.555 10 0 AFAERN Clc1nnc([C@@H]2CCC[C@H]3C[C@H]32)o1 575596974 352859186 /nfs/dbraw/zinc/85/91/86/352859186.db2.gz QYYURPKNBNGAIK-RRKCRQDMSA-N 0 0 198.653 2.627 10 0 AFAERN Cc1nc(C(C)(C)C)nc(F)c1C 575597086 352859256 /nfs/dbraw/zinc/85/92/56/352859256.db2.gz MJVXHXPNCRISSK-UHFFFAOYSA-N 0 0 182.242 2.530 10 0 AFAERN Clc1nnc([C@@H]2CCC[C@@H]3C[C@@H]32)o1 575596973 352859260 /nfs/dbraw/zinc/85/92/60/352859260.db2.gz QYYURPKNBNGAIK-QYNIQEEDSA-N 0 0 198.653 2.627 10 0 AFAERN Cc1cc(F)nc(C2CCCC2)n1 575596908 352859310 /nfs/dbraw/zinc/85/93/10/352859310.db2.gz PAMSMPKVSWUKRS-UHFFFAOYSA-N 0 0 180.226 2.582 10 0 AFAERN Cc1nc(F)cc(C2CCCC2)n1 575597199 352859771 /nfs/dbraw/zinc/85/97/71/352859771.db2.gz QWKDGQNFVAKIEK-UHFFFAOYSA-N 0 0 180.226 2.582 10 0 AFAERN CC(C)(C)Sc1cncc(F)n1 575597192 352859789 /nfs/dbraw/zinc/85/97/89/352859789.db2.gz VGWAYDCKOFFPSF-UHFFFAOYSA-N 0 0 186.255 2.506 10 0 AFAERN CCc1ncnc(Cl)c1C(C)C 575597207 352859793 /nfs/dbraw/zinc/85/97/93/352859793.db2.gz WJYCRFWGCXFOSI-UHFFFAOYSA-N 0 0 184.670 2.816 10 0 AFAERN Cc1ncsc1-c1cccc(F)n1 575597491 352859860 /nfs/dbraw/zinc/85/98/60/352859860.db2.gz JIHQKWVEMSRSFR-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Clc1noc([C@H]2CCCC23CC3)n1 575597462 352859840 /nfs/dbraw/zinc/85/98/40/352859840.db2.gz KQGXLDIBWZNBAG-ZCFIWIBFSA-N 0 0 198.653 2.771 10 0 AFAERN Cc1ncsc1-c1cc(F)ccn1 575597472 352859856 /nfs/dbraw/zinc/85/98/56/352859856.db2.gz LUMUSINMKNFBDU-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Clc1nnc(C2CC3(CCC3)C2)o1 575597496 352859907 /nfs/dbraw/zinc/85/99/07/352859907.db2.gz KIIYDZDDZPYNLB-UHFFFAOYSA-N 0 0 198.653 2.771 10 0 AFAERN Fc1cncc(SC2CCCC2)n1 575597455 352859937 /nfs/dbraw/zinc/85/99/37/352859937.db2.gz KECUCKGBUIEWEY-UHFFFAOYSA-N 0 0 198.266 2.650 10 0 AFAERN Clc1noc([C@@H]2CCCC23CC3)n1 575597460 352859960 /nfs/dbraw/zinc/85/99/60/352859960.db2.gz KQGXLDIBWZNBAG-LURJTMIESA-N 0 0 198.653 2.771 10 0 AFAERN Clc1nc([C@@H]2CCCC23CC3)no1 575597723 352860591 /nfs/dbraw/zinc/86/05/91/352860591.db2.gz SARPETYANUVSBN-LURJTMIESA-N 0 0 198.653 2.771 10 0 AFAERN CC1CC(c2nc(Cl)ns2)C1 575597618 352860270 /nfs/dbraw/zinc/86/02/70/352860270.db2.gz JIXXOEKAJRBHPW-UHFFFAOYSA-N 0 0 188.683 2.705 10 0 AFAERN Cc1ncc(-c2cc(F)ccn2)s1 575597734 352860367 /nfs/dbraw/zinc/86/03/67/352860367.db2.gz UWSRZVHTZYAHCR-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1cc(Cl)nc([C@H]2CC23CC3)n1 575597669 352860404 /nfs/dbraw/zinc/86/04/04/352860404.db2.gz PDLHEBZDMFJTNU-SSDOTTSWSA-N 0 0 194.665 2.706 10 0 AFAERN Cc1cc(Cl)nc([C@@H]2CC23CC3)n1 575597675 352860482 /nfs/dbraw/zinc/86/04/82/352860482.db2.gz PDLHEBZDMFJTNU-ZETCQYMHSA-N 0 0 194.665 2.706 10 0 AFAERN C[C@H]1CCCCc2cc(Cl)nnc21 575598049 352860944 /nfs/dbraw/zinc/86/09/44/352860944.db2.gz BUCGPCBBFMZCRG-ZETCQYMHSA-N 0 0 196.681 2.960 10 0 AFAERN C=Cc1cc(C(C)C)nc(Cl)n1 575597566 352860551 /nfs/dbraw/zinc/86/05/51/352860551.db2.gz DYGDRGBKWUKTPK-UHFFFAOYSA-N 0 0 182.654 2.896 10 0 AFAERN CC(C)c1cc(F)nc(C(C)C)n1 575597590 352860572 /nfs/dbraw/zinc/86/05/72/352860572.db2.gz IBHGPRFMDMMRHP-UHFFFAOYSA-N 0 0 182.242 2.863 10 0 AFAERN Clc1nc([C@H]2CCCC23CC3)no1 575597724 352860630 /nfs/dbraw/zinc/86/06/30/352860630.db2.gz SARPETYANUVSBN-ZCFIWIBFSA-N 0 0 198.653 2.771 10 0 AFAERN C[C@H]1CC[C@H](c2nccc(F)n2)C1 575598055 352860877 /nfs/dbraw/zinc/86/08/77/352860877.db2.gz BXDKLYBJTYQMDX-YUMQZZPRSA-N 0 0 180.226 2.519 10 0 AFAERN C[C@@H]1CCCCc2cc(Cl)nnc21 575598048 352860896 /nfs/dbraw/zinc/86/08/96/352860896.db2.gz BUCGPCBBFMZCRG-SSDOTTSWSA-N 0 0 196.681 2.960 10 0 AFAERN C[C@H]1CC[C@@H](c2nccc(F)n2)C1 575598053 352860903 /nfs/dbraw/zinc/86/09/03/352860903.db2.gz BXDKLYBJTYQMDX-JGVFFNPUSA-N 0 0 180.226 2.519 10 0 AFAERN C[C@@H]1CC[C@@H](c2nccc(F)n2)C1 575598052 352861004 /nfs/dbraw/zinc/86/10/04/352861004.db2.gz BXDKLYBJTYQMDX-HTQZYQBOSA-N 0 0 180.226 2.519 10 0 AFAERN Clc1nccnc1[C@H]1C[C@@H]2C[C@@H]2C1 575597833 352861020 /nfs/dbraw/zinc/86/10/20/352861020.db2.gz ZSRXXNHKHOCLRC-RNLVFQAGSA-N 0 0 194.665 2.644 10 0 AFAERN C[C@@H]1CC[C@H](c2nccc(F)n2)C1 575598054 352861028 /nfs/dbraw/zinc/86/10/28/352861028.db2.gz BXDKLYBJTYQMDX-SFYZADRCSA-N 0 0 180.226 2.519 10 0 AFAERN CC1(C)CCN1c1ccnc(Cl)c1 575597813 352861066 /nfs/dbraw/zinc/86/10/66/352861066.db2.gz WHALBWUBHPVKKS-UHFFFAOYSA-N 0 0 196.681 2.724 10 0 AFAERN CCc1nc(C(C)C)nc(F)c1C 575598234 352861481 /nfs/dbraw/zinc/86/14/81/352861481.db2.gz YQQOBWWRIFTAAK-UHFFFAOYSA-N 0 0 182.242 2.610 10 0 AFAERN Cc1nc(F)c2c(C)c(C)sc2n1 575598906 352861511 /nfs/dbraw/zinc/86/15/11/352861511.db2.gz DQWHOLGNCZKESD-UHFFFAOYSA-N 0 0 196.250 2.756 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1nccc(F)n1 575598343 352861516 /nfs/dbraw/zinc/86/15/16/352861516.db2.gz MXINNYQTXLKWEG-SFYZADRCSA-N 0 0 180.226 2.519 10 0 AFAERN CC[C@H](C)Cc1nsc(Cl)n1 575598179 352861543 /nfs/dbraw/zinc/86/15/43/352861543.db2.gz RMCCQNLTSBGFNJ-YFKPBYRVSA-N 0 0 190.699 2.780 10 0 AFAERN C=Cc1nc2ccccc2nc1Cl 575598372 352861562 /nfs/dbraw/zinc/86/15/62/352861562.db2.gz QZNRDQMOMPIELQ-UHFFFAOYSA-N 0 0 190.633 2.926 10 0 AFAERN Cc1nc(C2CCC2)nc(F)c1C 575598163 352861586 /nfs/dbraw/zinc/86/15/86/352861586.db2.gz POZJDAHCKWMIBV-UHFFFAOYSA-N 0 0 180.226 2.500 10 0 AFAERN C[C@H]1CCC[C@@H]1c1nccc(F)n1 575598344 352861591 /nfs/dbraw/zinc/86/15/91/352861591.db2.gz MXINNYQTXLKWEG-YUMQZZPRSA-N 0 0 180.226 2.519 10 0 AFAERN Cc1cscc1-c1nccc(F)n1 575598377 352861619 /nfs/dbraw/zinc/86/16/19/352861619.db2.gz RKBJDMCCDOIHFD-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN C[C@@H]1CCC[C@H]1c1nccc(F)n1 575598341 352861629 /nfs/dbraw/zinc/86/16/29/352861629.db2.gz MXINNYQTXLKWEG-HTQZYQBOSA-N 0 0 180.226 2.519 10 0 AFAERN C[C@H]1CCC[C@H]1c1nccc(F)n1 575598342 352861641 /nfs/dbraw/zinc/86/16/41/352861641.db2.gz MXINNYQTXLKWEG-JGVFFNPUSA-N 0 0 180.226 2.519 10 0 AFAERN CC1CC(c2nnc(Cl)s2)C1 575598417 352861649 /nfs/dbraw/zinc/86/16/49/352861649.db2.gz XJQFZLOXGWARQR-UHFFFAOYSA-N 0 0 188.683 2.705 10 0 AFAERN CCC1CN(c2cccc(Cl)n2)C1 575598280 352861688 /nfs/dbraw/zinc/86/16/88/352861688.db2.gz FHSOOSMKAUKUTC-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN CC[C@@H](C)Cc1nsc(Cl)n1 575598178 352861744 /nfs/dbraw/zinc/86/17/44/352861744.db2.gz RMCCQNLTSBGFNJ-RXMQYKEDSA-N 0 0 190.699 2.780 10 0 AFAERN CC1(C)CC(c2nnc(Cl)o2)C1 575599264 352861948 /nfs/dbraw/zinc/86/19/48/352861948.db2.gz BBCDAFTVGPMSFO-UHFFFAOYSA-N 0 0 186.642 2.627 10 0 AFAERN Fc1ccnc(C2CCCCC2)n1 575599275 352861972 /nfs/dbraw/zinc/86/19/72/352861972.db2.gz HHQZWWCLMGFZLW-UHFFFAOYSA-N 0 0 180.226 2.663 10 0 AFAERN C[C@H]1CN(c2cccc(Cl)n2)[C@@H]1C 575599588 352862000 /nfs/dbraw/zinc/86/20/00/352862000.db2.gz NQEQAJNVZBNQDW-JGVFFNPUSA-N 0 0 196.681 2.580 10 0 AFAERN C[C@@H](c1nnc(Cl)o1)C1CCC1 575599369 352862022 /nfs/dbraw/zinc/86/20/22/352862022.db2.gz LYKVUMDOFFBEGU-RXMQYKEDSA-N 0 0 186.642 2.627 10 0 AFAERN Cc1ccc(-c2nccc(F)n2)s1 575599246 352862037 /nfs/dbraw/zinc/86/20/37/352862037.db2.gz ALHFQXSZLYYBLG-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN C[C@H](c1nnc(Cl)o1)C1CCC1 575599371 352862132 /nfs/dbraw/zinc/86/21/32/352862132.db2.gz LYKVUMDOFFBEGU-YFKPBYRVSA-N 0 0 186.642 2.627 10 0 AFAERN CCc1c(C)nc(C(C)C)nc1F 575599260 352862199 /nfs/dbraw/zinc/86/21/99/352862199.db2.gz DKMACVOZSYNRHN-UHFFFAOYSA-N 0 0 182.242 2.610 10 0 AFAERN C[C@H]1CN(c2cccc(Cl)n2)[C@H]1C 575599594 352862230 /nfs/dbraw/zinc/86/22/30/352862230.db2.gz NQEQAJNVZBNQDW-YUMQZZPRSA-N 0 0 196.681 2.580 10 0 AFAERN CCc1nc(C)c(C(C)C)c(F)n1 575599349 352862213 /nfs/dbraw/zinc/86/22/13/352862213.db2.gz LABWUQPRGZWHGU-UHFFFAOYSA-N 0 0 182.242 2.610 10 0 AFAERN C[C@@H]1CN(c2cccc(Cl)n2)[C@@H]1C 575599586 352862221 /nfs/dbraw/zinc/86/22/21/352862221.db2.gz NQEQAJNVZBNQDW-HTQZYQBOSA-N 0 0 196.681 2.580 10 0 AFAERN C=Cc1cc(C2CC2)nc(Cl)n1 575599300 352862249 /nfs/dbraw/zinc/86/22/49/352862249.db2.gz BVJYIIYBFCXSHF-UHFFFAOYSA-N 0 0 180.638 2.650 10 0 AFAERN C[C@H]1[C@H](C)CN1c1cccc(Cl)n1 575599593 352862285 /nfs/dbraw/zinc/86/22/85/352862285.db2.gz NQEQAJNVZBNQDW-SFYZADRCSA-N 0 0 196.681 2.580 10 0 AFAERN Cc1ncc(-c2cccc(F)n2)s1 575599433 352862329 /nfs/dbraw/zinc/86/23/29/352862329.db2.gz QLBLMCDLZFLIEB-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Clc1noc([C@]23CCCC[C@H]2C3)n1 575599659 352862737 /nfs/dbraw/zinc/86/27/37/352862737.db2.gz SCCAMJLTXXJLET-RCOVLWMOSA-N 0 0 198.653 2.555 10 0 AFAERN CC(C)c1cc(F)nc(C2CC2)n1 575599816 352862752 /nfs/dbraw/zinc/86/27/52/352862752.db2.gz UXQNQGHUMVVDDP-UHFFFAOYSA-N 0 0 180.226 2.617 10 0 AFAERN C[C@@H](c1nc(Cl)no1)C1CCC1 575600023 352862760 /nfs/dbraw/zinc/86/27/60/352862760.db2.gz GEPMXVLHCLJBLV-RXMQYKEDSA-N 0 0 186.642 2.627 10 0 AFAERN Cc1c(F)nc(C(C)C)nc1Cl 575599995 352862813 /nfs/dbraw/zinc/86/28/13/352862813.db2.gz BGOCJYRYXPNBJV-UHFFFAOYSA-N 0 0 188.633 2.701 10 0 AFAERN Clc1noc([C@@H]2CCC[C@H]3C[C@H]32)n1 575599706 352862844 /nfs/dbraw/zinc/86/28/44/352862844.db2.gz UAKCCNXFJPWDHR-RRKCRQDMSA-N 0 0 198.653 2.627 10 0 AFAERN C[C@H](c1nc(Cl)no1)C1CCC1 575600024 352862878 /nfs/dbraw/zinc/86/28/78/352862878.db2.gz GEPMXVLHCLJBLV-YFKPBYRVSA-N 0 0 186.642 2.627 10 0 AFAERN CC1(C)CCN1c1cccc(Cl)n1 575599815 352862896 /nfs/dbraw/zinc/86/28/96/352862896.db2.gz UOJJIOKCFKICAL-UHFFFAOYSA-N 0 0 196.681 2.724 10 0 AFAERN Clc1noc([C@@]23CCCC[C@@H]2C3)n1 575599656 352862928 /nfs/dbraw/zinc/86/29/28/352862928.db2.gz SCCAMJLTXXJLET-HZGVNTEJSA-N 0 0 198.653 2.555 10 0 AFAERN Clc1noc([C@@H]2CCC[C@@H]3C[C@@H]32)n1 575599705 352862953 /nfs/dbraw/zinc/86/29/53/352862953.db2.gz UAKCCNXFJPWDHR-QYNIQEEDSA-N 0 0 198.653 2.627 10 0 AFAERN Cc1sccc1-c1nccc(F)n1 575599690 352862965 /nfs/dbraw/zinc/86/29/65/352862965.db2.gz ZVPZEMIXYQLHKR-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Clc1ccnc([C@H]2C[C@@H]3C[C@@H]3C2)n1 575600464 352863384 /nfs/dbraw/zinc/86/33/84/352863384.db2.gz XJYWBOOIUODOFE-RNLVFQAGSA-N 0 0 194.665 2.644 10 0 AFAERN CC[C@H](C)c1nc(C)c(C)c(F)n1 575600455 352863454 /nfs/dbraw/zinc/86/34/54/352863454.db2.gz XENPXRNPOUWDMX-LURJTMIESA-N 0 0 182.242 2.746 10 0 AFAERN CC[C@@H](C)c1nc(C)c(F)c(F)n1 575600280 352863530 /nfs/dbraw/zinc/86/35/30/352863530.db2.gz ZGJVIWGXDRWSSY-RXMQYKEDSA-N 0 0 186.205 2.577 10 0 AFAERN CC[C@H](C)c1nc(C)c(F)c(F)n1 575600281 352863536 /nfs/dbraw/zinc/86/35/36/352863536.db2.gz ZGJVIWGXDRWSSY-YFKPBYRVSA-N 0 0 186.205 2.577 10 0 AFAERN CC[C@@H](C)c1nc(C)c(C)c(F)n1 575600456 352863623 /nfs/dbraw/zinc/86/36/23/352863623.db2.gz XENPXRNPOUWDMX-ZCFIWIBFSA-N 0 0 182.242 2.746 10 0 AFAERN C[C@@H]1CC[C@@H]1c1cc(C2CC2)[nH]n1 575600962 352863925 /nfs/dbraw/zinc/86/39/25/352863925.db2.gz AZNHUDJQVMYQLO-APPZFPTMSA-N 0 0 176.263 2.801 10 0 AFAERN C[C@H]1CC[C@H]1c1cc(C2CC2)[nH]n1 575600964 352864181 /nfs/dbraw/zinc/86/41/81/352864181.db2.gz AZNHUDJQVMYQLO-IONNQARKSA-N 0 0 176.263 2.801 10 0 AFAERN C[C@H]1CC[C@@H]1c1cc(C2CC2)[nH]n1 575600963 352864221 /nfs/dbraw/zinc/86/42/21/352864221.db2.gz AZNHUDJQVMYQLO-CBAPKCEASA-N 0 0 176.263 2.801 10 0 AFAERN C[C@@H]1CC[C@H]1c1cc(C2CC2)[nH]n1 575600965 352864324 /nfs/dbraw/zinc/86/43/24/352864324.db2.gz AZNHUDJQVMYQLO-VXNVDRBHSA-N 0 0 176.263 2.801 10 0 AFAERN Fc1ccc(OCC2CC(F)C2)cc1 575601758 352864623 /nfs/dbraw/zinc/86/46/23/352864623.db2.gz IDZRTZOBDUKREX-UHFFFAOYSA-N 0 0 198.212 2.953 10 0 AFAERN FC1CC(COc2ccccc2)C1 575601756 352864649 /nfs/dbraw/zinc/86/46/49/352864649.db2.gz HZHVAQRQPCSBHI-UHFFFAOYSA-N 0 0 180.222 2.814 10 0 AFAERN Fc1cccc(OCC2CC(F)C2)c1 575601757 352864823 /nfs/dbraw/zinc/86/48/23/352864823.db2.gz IBTHOHWKAKCJGG-UHFFFAOYSA-N 0 0 198.212 2.953 10 0 AFAERN c1ccc([C@H]2C[C@@H]2Cn2cccn2)cc1 575602005 352865419 /nfs/dbraw/zinc/86/54/19/352865419.db2.gz JVRVYGCYZJHYQK-CHWSQXEVSA-N 0 0 198.269 2.687 10 0 AFAERN c1ccc([C@H]2C[C@H]2Cn2cccn2)cc1 575602007 352865580 /nfs/dbraw/zinc/86/55/80/352865580.db2.gz JVRVYGCYZJHYQK-QWHCGFSZSA-N 0 0 198.269 2.687 10 0 AFAERN COc1ccc2ccsc2c1O 575601895 352865728 /nfs/dbraw/zinc/86/57/28/352865728.db2.gz QPWYAEZQVDXGEF-UHFFFAOYSA-N 0 0 180.228 2.616 10 0 AFAERN Clc1ncnc(C2CC2)c1Cl 575602031 352865758 /nfs/dbraw/zinc/86/57/58/352865758.db2.gz ULPFDYQYVQCVQX-UHFFFAOYSA-N 0 0 189.045 2.661 10 0 AFAERN c1ccc([C@@H]2C[C@@H]2Cn2cccn2)cc1 575602006 352865762 /nfs/dbraw/zinc/86/57/62/352865762.db2.gz JVRVYGCYZJHYQK-OLZOCXBDSA-N 0 0 198.269 2.687 10 0 AFAERN OC[C@H]1CCC[C@H](C(F)(F)F)CC1 575602489 352865970 /nfs/dbraw/zinc/86/59/70/352865970.db2.gz PXCKYDUKRINYQG-YUMQZZPRSA-N 0 0 196.212 2.738 10 0 AFAERN OC[C@@H]1CCC[C@H](C(F)(F)F)CC1 575602488 352865986 /nfs/dbraw/zinc/86/59/86/352865986.db2.gz PXCKYDUKRINYQG-SFYZADRCSA-N 0 0 196.212 2.738 10 0 AFAERN Nc1cccc(C=C(F)F)c1 575602459 352866055 /nfs/dbraw/zinc/86/60/55/352866055.db2.gz PIXDOZWDVYMVKZ-UHFFFAOYSA-N 0 0 155.147 2.506 10 0 AFAERN OC[C@@H]1CCC[C@@H](C(F)(F)F)CC1 575602481 352866254 /nfs/dbraw/zinc/86/62/54/352866254.db2.gz PXCKYDUKRINYQG-HTQZYQBOSA-N 0 0 196.212 2.738 10 0 AFAERN CC1CC(COc2ccc(O)cc2)C1 575602663 352866275 /nfs/dbraw/zinc/86/62/75/352866275.db2.gz SJOUMYQNVYJPOJ-UHFFFAOYSA-N 0 0 192.258 2.817 10 0 AFAERN Fc1ccccc1OCC1CC(F)C1 575602650 352866301 /nfs/dbraw/zinc/86/63/01/352866301.db2.gz RWIXNPCAHXUWLP-UHFFFAOYSA-N 0 0 198.212 2.953 10 0 AFAERN OC[C@H]1CCC[C@@H](C(F)(F)F)CC1 575602485 352866368 /nfs/dbraw/zinc/86/63/68/352866368.db2.gz PXCKYDUKRINYQG-JGVFFNPUSA-N 0 0 196.212 2.738 10 0 AFAERN CCc1nc(C)ccc1OC(F)F 575602290 352866461 /nfs/dbraw/zinc/86/64/61/352866461.db2.gz XFHVNXVGIWNKSS-UHFFFAOYSA-N 0 0 187.189 2.554 10 0 AFAERN C[C@@H]1CC[C@@H]1COc1ccc(O)cc1 575603039 352866726 /nfs/dbraw/zinc/86/67/26/352866726.db2.gz ZCDVDNIETGSUCI-NXEZZACHSA-N 0 0 192.258 2.817 10 0 AFAERN FC(F)c1cc(Br)co1 575602843 352866807 /nfs/dbraw/zinc/86/68/07/352866807.db2.gz TWJSRGJJWWYLEO-UHFFFAOYSA-N 0 0 196.978 2.980 10 0 AFAERN C[C@H]1CC[C@H]1COc1ccc(O)cc1 575603040 352866874 /nfs/dbraw/zinc/86/68/74/352866874.db2.gz ZCDVDNIETGSUCI-UWVGGRQHSA-N 0 0 192.258 2.817 10 0 AFAERN C[C@H]1CC[C@@H]1COc1ccc(O)cc1 575603041 352866933 /nfs/dbraw/zinc/86/69/33/352866933.db2.gz ZCDVDNIETGSUCI-VHSXEESVSA-N 0 0 192.258 2.817 10 0 AFAERN C[C@@H]1CC[C@H]1COc1ccc(O)cc1 575603042 352867177 /nfs/dbraw/zinc/86/71/77/352867177.db2.gz ZCDVDNIETGSUCI-ZJUUUORDSA-N 0 0 192.258 2.817 10 0 AFAERN CCc1cc(OC)cc(CC)c1C#N 575639267 352869347 /nfs/dbraw/zinc/86/93/47/352869347.db2.gz GGHAAJCZINIVPD-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN CCc1cc(CC)c(OC)cc1C#N 575639581 352869355 /nfs/dbraw/zinc/86/93/55/352869355.db2.gz JQHGMHFIFHMORY-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN CCc1cc(C#N)cc(CC)c1OC 575638879 352869442 /nfs/dbraw/zinc/86/94/42/352869442.db2.gz DPTQNXDHIUNSRP-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN CCc1cc(C#N)c(CC)c(OC)c1 575638758 352869549 /nfs/dbraw/zinc/86/95/49/352869549.db2.gz CNIDMTRIYLAHME-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN CCc1cc(C#N)c(OC)cc1CC 575639653 352869821 /nfs/dbraw/zinc/86/98/21/352869821.db2.gz KGZHMDOBFCUPOO-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN CCc1cc(OC)c(CC)cc1C#N 575640137 352870108 /nfs/dbraw/zinc/87/01/08/352870108.db2.gz OSIPLLWVRINVMR-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN CCc1cc(C#N)cc(OC)c1CC 575640682 352870120 /nfs/dbraw/zinc/87/01/20/352870120.db2.gz RIZGOPNLAVOLOE-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN CCc1cc(CC)c(C#N)c(OC)c1 575640666 352870123 /nfs/dbraw/zinc/87/01/23/352870123.db2.gz RICMNNLRZNHVBI-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN CCc1cc(C#N)c(OC)c(CC)c1 575640611 352870138 /nfs/dbraw/zinc/87/01/38/352870138.db2.gz QWZIANXHBFBDOS-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN COc1cc(C#N)cc(C(F)F)c1C 575642369 352870297 /nfs/dbraw/zinc/87/02/97/352870297.db2.gz AEYVVXLEALCUOL-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN CCc1cc(OC)cc(C#N)c1CC 575640539 352870317 /nfs/dbraw/zinc/87/03/17/352870317.db2.gz QKHXFFNNRYISLX-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN COc1cc(C#N)c(C(F)F)cc1C 575642428 352870405 /nfs/dbraw/zinc/87/04/05/352870405.db2.gz AZHRWDVRTHJKTJ-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C)c(C#N)c(C(F)F)c1 575642777 352870815 /nfs/dbraw/zinc/87/08/15/352870815.db2.gz GSGKYSGGHYAZCE-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C#N)c(C)cc1C(F)F 575642543 352870963 /nfs/dbraw/zinc/87/09/63/352870963.db2.gz CULPMXRIGYTVCH-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C)c(C(F)F)c(C#N)c1 575643182 352870967 /nfs/dbraw/zinc/87/09/67/352870967.db2.gz LVXBBYORSZZRRK-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C)cc(C#N)c1C(F)F 575643261 352871508 /nfs/dbraw/zinc/87/15/08/352871508.db2.gz NEYSPFSMZQYMTL-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C(F)F)cc(C#N)c1C 575643754 352871577 /nfs/dbraw/zinc/87/15/77/352871577.db2.gz UEPVCLIZPIEJNA-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1ccc(C#N)c(C(F)F)c1C 575643304 352871605 /nfs/dbraw/zinc/87/16/05/352871605.db2.gz OLRQLOTUYDUSBT-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN CCc1ccc(C(C)=O)c(C)c1C#N 575643585 352871712 /nfs/dbraw/zinc/87/17/12/352871712.db2.gz BJGMQJSPWKCBSY-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN COc1cc(C(F)F)c(C)cc1C#N 575643575 352871719 /nfs/dbraw/zinc/87/17/19/352871719.db2.gz RGRZOOURGNBUGT-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C#N)c(C)c(C(F)F)c1 575644383 352872001 /nfs/dbraw/zinc/87/20/01/352872001.db2.gz ZPDNPDQEYIKUIT-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C#N)cc(C)c1C(F)F 575643856 352872029 /nfs/dbraw/zinc/87/20/29/352872029.db2.gz VKWQLCUMZSTZFE-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN CCc1cc(C)c(C#N)c(C(C)=O)c1 575644039 352872257 /nfs/dbraw/zinc/87/22/57/352872257.db2.gz FLLKBCULLOVRCF-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN COc1c(C)cc(C#N)cc1C(F)F 575643976 352872430 /nfs/dbraw/zinc/87/24/30/352872430.db2.gz VRLMMYDIWUWCSG-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C)cc(C(F)F)c1C#N 575643992 352872455 /nfs/dbraw/zinc/87/24/55/352872455.db2.gz WCKUZEMKAFNIHQ-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN COc1cc(C)c(C(F)F)cc1C#N 575644011 352872472 /nfs/dbraw/zinc/87/24/72/352872472.db2.gz WHUZNUNXMICIEI-UHFFFAOYSA-N 0 0 197.184 2.813 10 0 AFAERN CCc1ccc(C#N)c(C)c1C(C)=O 575644755 352872870 /nfs/dbraw/zinc/87/28/70/352872870.db2.gz JAGZWYLCSWRURZ-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN CCc1cc(C(C)=O)c(C#N)cc1C 575644744 352872902 /nfs/dbraw/zinc/87/29/02/352872902.db2.gz IZLUKTXSIVOKAT-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN CCc1ccc(C)c(C(C)=O)c1C#N 575644508 352872915 /nfs/dbraw/zinc/87/29/15/352872915.db2.gz HKHJJOOADRCALL-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN CCc1cc(C#N)c(C)cc1C(C)=O 575644879 352872984 /nfs/dbraw/zinc/87/29/84/352872984.db2.gz KDYYQOJLECVLGY-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN CCc1cc(C(C)=O)cc(C)c1C#N 575644678 352873127 /nfs/dbraw/zinc/87/31/27/352873127.db2.gz IMLIISDSYJQFFA-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN CCc1c(C)ccc(C(C)=O)c1C#N 575645643 352874309 /nfs/dbraw/zinc/87/43/09/352874309.db2.gz MFHHCPXHFAJMKB-UHFFFAOYSA-N 0 0 187.242 2.632 10 0 AFAERN CCc1cc(C)c(C#N)cc1C(C)=O 575645628 352874408 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CCOc1cc(O)c(C)cc1CC 575697522 352889784 /nfs/dbraw/zinc/88/97/84/352889784.db2.gz XSXLLCXKTZZUHI-UHFFFAOYSA-N 0 0 180.247 2.662 10 0 AFAERN CCOc1cc(O)cc(CC)c1C 575697594 352889846 /nfs/dbraw/zinc/88/98/46/352889846.db2.gz ZXFHHQWUVOHIRU-UHFFFAOYSA-N 0 0 180.247 2.662 10 0 AFAERN CCc1cc(F)cc(SC)c1C=O 575701831 352889994 /nfs/dbraw/zinc/88/99/94/352889994.db2.gz JUTUMIDXYMLUGX-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1c(C)cc(SC)cc1CO 575702167 352890047 /nfs/dbraw/zinc/89/00/47/352890047.db2.gz DCUXVPODUQVZLV-UHFFFAOYSA-N 0 0 196.315 2.772 10 0 AFAERN CCc1cc(C=O)c(F)c(SC)c1 575701521 352890059 /nfs/dbraw/zinc/89/00/59/352890059.db2.gz BTBCIZMGEGPKCL-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1c(C=O)cc(F)cc1SC 575701799 352890091 /nfs/dbraw/zinc/89/00/91/352890091.db2.gz IVHRIVPRYDYXLZ-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1cc(C)cc(SC)c1CO 575701875 352890220 /nfs/dbraw/zinc/89/02/20/352890220.db2.gz ABOSNYDOKCTJOL-UHFFFAOYSA-N 0 0 196.315 2.772 10 0 AFAERN CCc1ccc(SC)c(F)c1C=O 575701547 352890246 /nfs/dbraw/zinc/89/02/46/352890246.db2.gz CYEBNFCMKICXRM-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1ccc(F)c(C=O)c1SC 575701772 352890273 /nfs/dbraw/zinc/89/02/73/352890273.db2.gz HYFNLHIBOJLKGS-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1ccc(F)c(SC)c1C=O 575701523 352890278 /nfs/dbraw/zinc/89/02/78/352890278.db2.gz BVWSBMNOKVZPRN-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1c(F)cc(SC)cc1C=O 575701876 352890302 /nfs/dbraw/zinc/89/03/02/352890302.db2.gz KOUVTFGJEHDDON-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1cc(SC)cc(C)c1CO 575701965 352890308 /nfs/dbraw/zinc/89/03/08/352890308.db2.gz AODWFGKPXMXSML-UHFFFAOYSA-N 0 0 196.315 2.772 10 0 AFAERN CCc1c(F)ccc(SC)c1C=O 575701746 352890326 /nfs/dbraw/zinc/89/03/26/352890326.db2.gz GLRAOOKVHCHSBG-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1c(F)ccc(C=O)c1SC 575701898 352890406 /nfs/dbraw/zinc/89/04/06/352890406.db2.gz KZCFOQHIRSZHQS-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1cc(C)c(SC)cc1CO 575704605 352891154 /nfs/dbraw/zinc/89/11/54/352891154.db2.gz YDASGZTZVKQDNU-UHFFFAOYSA-N 0 0 196.315 2.772 10 0 AFAERN CSc1c(F)ccc(C=O)c1C 575708145 352891723 /nfs/dbraw/zinc/89/17/23/352891723.db2.gz AWCVQVOWYUOVKI-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN COc1c(C)cc(SC)cc1F 575707511 352891729 /nfs/dbraw/zinc/89/17/29/352891729.db2.gz DAVISZOVUCCYDP-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN COc1cc(F)cc(SC)c1C 575708280 352891800 /nfs/dbraw/zinc/89/18/00/352891800.db2.gz OYJMTXFJGDPQGP-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN COc1ccc(F)c(C)c1SC 575707576 352891810 /nfs/dbraw/zinc/89/18/10/352891810.db2.gz FNPYOUZZEIWFRZ-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN COc1cc(F)c(C)cc1SC 575707889 352891864 /nfs/dbraw/zinc/89/18/64/352891864.db2.gz JOUWWEHEJHHHAD-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN COc1c(C)ccc(SC)c1F 575708218 352891885 /nfs/dbraw/zinc/89/18/85/352891885.db2.gz MMZKSPMCXZMDHL-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN COc1cc(C)c(F)cc1SC 575707855 352891913 /nfs/dbraw/zinc/89/19/13/352891913.db2.gz IYDRNXSEONUFMI-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN CSc1cc(C=O)cc(C)c1F 575708233 352891943 /nfs/dbraw/zinc/89/19/43/352891943.db2.gz BOXVHGKWBRUMHP-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN COc1ccc(F)c(SC)c1C 575707448 352891953 /nfs/dbraw/zinc/89/19/53/352891953.db2.gz BFRNMHNLCLJPQL-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN COc1cc(F)c(SC)cc1C 575707531 352892053 /nfs/dbraw/zinc/89/20/53/352892053.db2.gz DPEPKNQNQSZDKT-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN COc1c(F)ccc(SC)c1C 575708326 352892066 /nfs/dbraw/zinc/89/20/66/352892066.db2.gz PQXHYZKUSTVHRT-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN COc1c(SC)ccc(F)c1C 575707850 352892090 /nfs/dbraw/zinc/89/20/90/352892090.db2.gz IXENKJISRIXSMH-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN COc1cc(SC)c(F)cc1C 575707444 352892218 /nfs/dbraw/zinc/89/22/18/352892218.db2.gz BEECUPBYVCUZMC-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN CSc1c(C)ccc(C=O)c1F 575709788 352892588 /nfs/dbraw/zinc/89/25/88/352892588.db2.gz NTNUDPWOQDTQEB-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CSc1cc(F)cc(C=O)c1C 575709169 352892593 /nfs/dbraw/zinc/89/25/93/352892593.db2.gz JBPXUCMLIGOIIB-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CSc1cc(C)cc(F)c1C=O 575710325 352892618 /nfs/dbraw/zinc/89/26/18/352892618.db2.gz SPECOFVEBIJBRQ-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CSc1c(C=O)ccc(F)c1C 575708946 352892634 /nfs/dbraw/zinc/89/26/34/352892634.db2.gz FYLYRYGVJIGOPO-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CSc1c(F)cc(C)cc1C=O 575710877 352892643 /nfs/dbraw/zinc/89/26/43/352892643.db2.gz ZKGSDCWOVIWQGO-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN COc1cc(C)c(SC)c(F)c1 575708618 352892651 /nfs/dbraw/zinc/89/26/51/352892651.db2.gz SQWBZZTWGFVFDE-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN CSc1cc(F)c(C)cc1C=O 575709154 352892660 /nfs/dbraw/zinc/89/26/60/352892660.db2.gz IYWMKHNWFQCFSB-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CSc1cc(F)cc(C)c1C=O 575708588 352892663 /nfs/dbraw/zinc/89/26/63/352892663.db2.gz FDBJJLQMEFFVLP-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CCc1cc(N)c(Cl)c(C(C)=O)c1 575714144 352892666 /nfs/dbraw/zinc/89/26/66/352892666.db2.gz CIUUNXPJJNWTKN-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CSc1cc(C)c(C=O)cc1F 575710807 352892686 /nfs/dbraw/zinc/89/26/86/352892686.db2.gz YONQQKBQRNAQEV-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN COc1c(F)cc(C)cc1SC 575708619 352892688 /nfs/dbraw/zinc/89/26/88/352892688.db2.gz SRCLOALNGPOJGI-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN CSc1cc(C=O)c(C)cc1F 575709508 352892692 /nfs/dbraw/zinc/89/26/92/352892692.db2.gz KYSIQIOFVGZSNH-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN COc1cc(SC)cc(F)c1C 575708707 352892698 /nfs/dbraw/zinc/89/26/98/352892698.db2.gz VIWRBWXPHNHSJQ-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN CSc1cc(C)c(F)cc1C=O 575709150 352892824 /nfs/dbraw/zinc/89/28/24/352892824.db2.gz ISXNMMBTIMQNSJ-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CSc1cc(F)c(C=O)cc1C 575709168 352892729 /nfs/dbraw/zinc/89/27/29/352892729.db2.gz JAEBHACVCAXQHC-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN COC(=O)c1c(C)cc(C)cc1Cl 575712138 352892777 /nfs/dbraw/zinc/89/27/77/352892777.db2.gz CSPOFWXVCGVYEU-UHFFFAOYSA-N 0 0 198.649 2.743 10 0 AFAERN CSc1cc(C)cc(C=O)c1F 575710115 352892779 /nfs/dbraw/zinc/89/27/79/352892779.db2.gz PSWIYHFUPQLVFQ-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CSc1ccc(C)c(F)c1C=O 575710703 352892792 /nfs/dbraw/zinc/89/27/92/352892792.db2.gz UIPJVIXUGKJFGE-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN CSc1cc(C)c(C=O)c(F)c1 575709063 352892806 /nfs/dbraw/zinc/89/28/06/352892806.db2.gz HHLAGEIMHXXPTK-UHFFFAOYSA-N 0 0 184.235 2.669 10 0 AFAERN COc1cc(F)c(C)c(SC)c1 575708899 352892817 /nfs/dbraw/zinc/89/28/17/352892817.db2.gz YSRXLBGKKJVQIJ-UHFFFAOYSA-N 0 0 186.251 2.865 10 0 AFAERN CCc1c(Cl)cc(N)cc1C(C)=O 575715176 352893393 /nfs/dbraw/zinc/89/33/93/352893393.db2.gz VIJAEDHFFKQALL-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(Cl)c(N)c(C(C)=O)c1 575714723 352893404 /nfs/dbraw/zinc/89/34/04/352893404.db2.gz MKCHDAZEFWVXKZ-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(N)c(C(C)=O)c(Cl)c1 575714573 352893410 /nfs/dbraw/zinc/89/34/10/352893410.db2.gz LQOMGLLITBTNIR-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(Cl)cc(C(C)=O)c1N 575714475 352893496 /nfs/dbraw/zinc/89/34/96/352893496.db2.gz JNKCNLHUDYLQEB-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(Cl)c(N)cc1C(C)=O 575714950 352893500 /nfs/dbraw/zinc/89/35/00/352893500.db2.gz QHVPJTYHFJMRAO-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(N)c(Cl)cc1C(C)=O 575715156 352893520 /nfs/dbraw/zinc/89/35/20/352893520.db2.gz URJVWKPERJSUAZ-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(Cl)c(C(C)=O)cc1N 575715100 352893583 /nfs/dbraw/zinc/89/35/83/352893583.db2.gz RSHZRTUTYSECLA-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1ccc(Cl)c(C(C)=O)c1N 575715121 352893607 /nfs/dbraw/zinc/89/36/07/352893607.db2.gz SKQAFCHZKJZLJN-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(C(C)=O)c(Cl)cc1N 575714559 352893611 /nfs/dbraw/zinc/89/36/11/352893611.db2.gz LGCQLDRZVMZTKF-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(N)cc(C(C)=O)c1Cl 575714222 352893630 /nfs/dbraw/zinc/89/36/30/352893630.db2.gz FMTATFLJQKLLCF-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(C(C)=O)c(N)cc1Cl 575714442 352893646 /nfs/dbraw/zinc/89/36/46/352893646.db2.gz IHNDQQLUUHQVEQ-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(N)cc(Cl)c1C(C)=O 575715152 352893650 /nfs/dbraw/zinc/89/36/50/352893650.db2.gz UKIUWAPGSCJIBW-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1c(N)cc(Cl)cc1C(C)=O 575714804 352893652 /nfs/dbraw/zinc/89/36/52/352893652.db2.gz NULTVQHIYGREJX-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCc1cc(Cl)cc(N)c1C(C)=O 575714474 352893674 /nfs/dbraw/zinc/89/36/74/352893674.db2.gz JLTOPWXNVCWFDW-UHFFFAOYSA-N 0 0 197.665 2.687 10 0 AFAERN CCO[P@H](=O)CC[Si](C)(C)C 584603208 352906284 /nfs/dbraw/zinc/90/62/84/352906284.db2.gz OQIPMUVTTGJAPG-UHFFFAOYSA-N 0 0 194.287 2.836 10 0 AFAERN F/C(=C\Br)C1CC1 584603263 352906289 /nfs/dbraw/zinc/90/62/89/352906289.db2.gz OIXZZJRGDNTXQK-HYXAFXHYSA-N 0 0 165.005 2.602 10 0 AFAERN CC[C@@]1(C)CC(=O)Nc2ccccc21 584621647 352907206 /nfs/dbraw/zinc/90/72/06/352907206.db2.gz AHBAAKLXVDJCJZ-LBPRGKRZSA-N 0 0 189.258 2.697 10 0 AFAERN CC[C@]1(C)CC(=O)Nc2ccccc21 584621646 352907236 /nfs/dbraw/zinc/90/72/36/352907236.db2.gz AHBAAKLXVDJCJZ-GFCCVEGCSA-N 0 0 189.258 2.697 10 0 AFAERN COc1ccc(OC)c(C=C2CC2)c1 584623142 352907572 /nfs/dbraw/zinc/90/75/72/352907572.db2.gz DAWIMJXSEXFOIJ-UHFFFAOYSA-N 0 0 190.242 2.881 10 0 AFAERN CC(C)=C=Cc1ccccn1 584622863 352907587 /nfs/dbraw/zinc/90/75/87/352907587.db2.gz XHFGEAAHCBLYGQ-UHFFFAOYSA-N 0 0 145.205 2.660 10 0 AFAERN Cc1ncc(Cl)c(C=O)c1Cl 584636698 352908553 /nfs/dbraw/zinc/90/85/53/352908553.db2.gz OPFGWGLEPRGDRD-UHFFFAOYSA-N 0 0 190.029 2.509 10 0 AFAERN COc1cc(Cl)c(O)c(F)c1C 584639982 352908999 /nfs/dbraw/zinc/90/89/99/352908999.db2.gz XWVGLTXBXQOQIU-UHFFFAOYSA-N 0 0 190.601 2.502 10 0 AFAERN CCCCCC(=O)N1CCCC1(C)C 590593159 352913946 /nfs/dbraw/zinc/91/39/46/352913946.db2.gz ICTYIZDQQZEHKW-UHFFFAOYSA-N 0 0 197.322 2.968 10 0 AFAERN CCOC(=O)[C@@H]1CCCC[C@H]1C1CC1 592144343 352918645 /nfs/dbraw/zinc/91/86/45/352918645.db2.gz GGBAHCANSFIFRO-WDEREUQCSA-N 0 0 196.290 2.766 10 0 AFAERN CCOC(=O)[C@H]1CCCC[C@H]1C1CC1 592144342 352918729 /nfs/dbraw/zinc/91/87/29/352918729.db2.gz GGBAHCANSFIFRO-QWRGUYRKSA-N 0 0 196.290 2.766 10 0 AFAERN CCOC(=O)[C@H]1CCCC[C@@H]1C1CC1 592144341 352918734 /nfs/dbraw/zinc/91/87/34/352918734.db2.gz GGBAHCANSFIFRO-MNOVXSKESA-N 0 0 196.290 2.766 10 0 AFAERN CCOC(=O)[C@@H]1CCCC[C@@H]1C1CC1 592144340 352918735 /nfs/dbraw/zinc/91/87/35/352918735.db2.gz GGBAHCANSFIFRO-GHMZBOCLSA-N 0 0 196.290 2.766 10 0 AFAERN CC(=O)[C@@H](C)SC[C@H]1C[C@@H]2C[C@@H]2C1 596025411 352922655 /nfs/dbraw/zinc/92/26/55/352922655.db2.gz WNPYTTUESXJKPL-CHWFTXMASA-N 0 0 198.331 2.743 10 0 AFAERN CC(=O)[C@H](C)SC[C@H]1C[C@@H]2C[C@@H]2C1 596025414 352923243 /nfs/dbraw/zinc/92/32/43/352923243.db2.gz WNPYTTUESXJKPL-MMWGEVLESA-N 0 0 198.331 2.743 10 0 AFAERN O=C(CCCC1CC1)N1CCCCC1 643118792 352937970 /nfs/dbraw/zinc/93/79/70/352937970.db2.gz AAVUNBJFBCCJBK-UHFFFAOYSA-N 0 0 195.306 2.579 10 0 AFAERN CCCC1(c2noc(CC)n2)CCC1 643135882 352938585 /nfs/dbraw/zinc/93/85/85/352938585.db2.gz UIQQCVYKOJNLGS-UHFFFAOYSA-N 0 0 194.278 2.854 10 0 AFAERN OSCc1cccc(F)c1 643847156 353008147 /nfs/dbraw/zinc/00/81/47/353008147.db2.gz KDIKIRYGFKLMFV-UHFFFAOYSA-N 0 0 158.197 2.532 10 0 AFAERN C1CC(c2noc([C@H]3CC34CC4)n2)C1 643277520 352943199 /nfs/dbraw/zinc/94/31/99/352943199.db2.gz NPASMOTUEUNMBE-MRVPVSSYSA-N 0 0 190.246 2.605 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C(=O)CCCC1CC1 643257948 352943207 /nfs/dbraw/zinc/94/32/07/352943207.db2.gz JFHKTHIGCDXHQV-NXEZZACHSA-N 0 0 195.306 2.576 10 0 AFAERN C1CC(c2noc([C@@H]3CC34CC4)n2)C1 643277521 352943237 /nfs/dbraw/zinc/94/32/37/352943237.db2.gz NPASMOTUEUNMBE-QMMMGPOBSA-N 0 0 190.246 2.605 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)CCCC1CC1 643257944 352943259 /nfs/dbraw/zinc/94/32/59/352943259.db2.gz JFHKTHIGCDXHQV-AOOOYVTPSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@H]1C[C@H](C)N1C(=O)CCCC1CC1 643257949 352943273 /nfs/dbraw/zinc/94/32/73/352943273.db2.gz JFHKTHIGCDXHQV-UWVGGRQHSA-N 0 0 195.306 2.576 10 0 AFAERN C1=CC[N@H+]([C@H]2C[C@H]2c2ccccc2)CC1 643376313 352950200 /nfs/dbraw/zinc/95/02/00/352950200.db2.gz ZEQJYWLCZQXKFD-KBPBESRZSA-N 0 0 199.297 2.804 10 0 AFAERN CC[C@H](C)C(=O)NCC1CCCCC1 643607952 353004702 /nfs/dbraw/zinc/00/47/02/353004702.db2.gz CSIDYXHMCPFJKY-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CC[C@@H](C)C(=O)NCC1CCCCC1 643607953 353004877 /nfs/dbraw/zinc/00/48/77/353004877.db2.gz CSIDYXHMCPFJKY-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN COCCOc1cccc(C2CC2)c1 643653366 353005769 /nfs/dbraw/zinc/00/57/69/353005769.db2.gz FSFCBMNVSFWOIN-UHFFFAOYSA-N 0 0 192.258 2.589 10 0 AFAERN C[C@H](N[C@H](C)C(F)(F)F)[C@@H]1C[C@H]1C 643799371 353006119 /nfs/dbraw/zinc/00/61/19/353006119.db2.gz BGLGSEBVBIJAHT-ULAWRXDQSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@H](N[C@H](C)[C@@H]1C[C@H]1C)C(F)(F)F 643799370 353006227 /nfs/dbraw/zinc/00/62/27/353006227.db2.gz BGLGSEBVBIJAHT-OOJXKGFFSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](C)N[C@H](C)C(F)(F)F 643799373 353006385 /nfs/dbraw/zinc/00/63/85/353006385.db2.gz BGLGSEBVBIJAHT-WCTZXXKLSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@H](N[C@@H](C)C(F)(F)F)[C@@H]1C[C@H]1C 643799372 353006388 /nfs/dbraw/zinc/00/63/88/353006388.db2.gz BGLGSEBVBIJAHT-VGRMVHKJSA-N 0 0 195.228 2.571 10 0 AFAERN OSCCCc1ccccc1 643846659 353007970 /nfs/dbraw/zinc/00/79/70/353007970.db2.gz JBJQNQUIKSIHKH-UHFFFAOYSA-N 0 0 168.261 2.825 10 0 AFAERN OSCCCOc1ccccc1 643846791 353007964 /nfs/dbraw/zinc/00/79/64/353007964.db2.gz WUEAWLYDVXAWRF-UHFFFAOYSA-N 0 0 184.260 2.662 10 0 AFAERN Cc1cccc(OCCSO)c1 643846793 353008015 /nfs/dbraw/zinc/00/80/15/353008015.db2.gz KUMMAZQOCJFEOP-UHFFFAOYSA-N 0 0 184.260 2.580 10 0 AFAERN Cc1ccc(C(=O)CSO)cc1C 643848110 353008048 /nfs/dbraw/zinc/00/80/48/353008048.db2.gz VYDVRCBTBJQHPY-UHFFFAOYSA-N 0 0 196.271 2.692 10 0 AFAERN Cc1ccccc1CSO 643846533 353008074 /nfs/dbraw/zinc/00/80/74/353008074.db2.gz HDTFFZRMYJSLLG-UHFFFAOYSA-N 0 0 154.234 2.701 10 0 AFAERN OSCc1ccccc1F 643846534 353008104 /nfs/dbraw/zinc/00/81/04/353008104.db2.gz KOLSCWRIJVCLRY-UHFFFAOYSA-N 0 0 158.197 2.532 10 0 AFAERN CCCC[C@H](C)N(C)C(=O)C1=CCC1 643857513 353008127 /nfs/dbraw/zinc/00/81/27/353008127.db2.gz BECAINUIJAIHAM-JTQLQIEISA-N 0 0 195.306 2.744 10 0 AFAERN OSCc1ccc(F)cc1 643846394 353008135 /nfs/dbraw/zinc/00/81/35/353008135.db2.gz SACXGFPEIQMEJH-UHFFFAOYSA-N 0 0 158.197 2.532 10 0 AFAERN Cc1ccc(OCCSO)cc1 643846664 353008198 /nfs/dbraw/zinc/00/81/98/353008198.db2.gz YHWZGJJHSOFODF-UHFFFAOYSA-N 0 0 184.260 2.580 10 0 AFAERN Cc1ccc(CSO)cc1 643846365 353008223 /nfs/dbraw/zinc/00/82/23/353008223.db2.gz RFGYMNIKKIUZST-UHFFFAOYSA-N 0 0 154.234 2.701 10 0 AFAERN CCCC[C@@H](C)N(C)C(=O)C1=CCC1 643857514 353008231 /nfs/dbraw/zinc/00/82/31/353008231.db2.gz BECAINUIJAIHAM-SNVBAGLBSA-N 0 0 195.306 2.744 10 0 AFAERN Cc1ccc(OCCCSO)cc1 643846792 353008278 /nfs/dbraw/zinc/00/82/78/353008278.db2.gz XGFZBZHRYRZVFR-UHFFFAOYSA-N 0 0 198.287 2.970 10 0 AFAERN C[C@H]1[C@H](C)C[C@H]1N[C@H](C)C(F)(F)F 643906920 353008558 /nfs/dbraw/zinc/00/85/58/353008558.db2.gz HNUKYGGJRKWAJE-ULAWRXDQSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)C(F)(F)F 643906919 353008561 /nfs/dbraw/zinc/00/85/61/353008561.db2.gz HNUKYGGJRKWAJE-OOJXKGFFSA-N 0 0 195.228 2.571 10 0 AFAERN CCN(CC(C)(C)C)C(=O)C1=CCC1 643882341 353008562 /nfs/dbraw/zinc/00/85/62/353008562.db2.gz RWVDGQFSLCJNFN-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN C[C@@H]1C[C@@H](N[C@H](C)C(F)(F)F)[C@@H]1C 643906922 353008639 /nfs/dbraw/zinc/00/86/39/353008639.db2.gz HNUKYGGJRKWAJE-WCTZXXKLSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@H]1CCC[C@@H]1N[C@H](C)C(F)(F)F 643906841 353008667 /nfs/dbraw/zinc/00/86/67/353008667.db2.gz BLNXLZODYBEVDU-RNJXMRFFSA-N 0 0 195.228 2.715 10 0 AFAERN CC[C@H]1CC[C@H]1N[C@H](C)C(F)(F)F 643906940 353008832 /nfs/dbraw/zinc/00/88/32/353008832.db2.gz NNVVUPJTHUAAHI-GJMOJQLCSA-N 0 0 195.228 2.715 10 0 AFAERN CC[C@@H](C)[C@@H](C)N[C@H](C)C(F)(F)F 643906835 353008739 /nfs/dbraw/zinc/00/87/39/353008739.db2.gz ADZRXOIJAOSUBB-BWZBUEFSSA-N 0 0 197.244 2.961 10 0 AFAERN CC[C@@H](C)[C@H](C)N[C@H](C)C(F)(F)F 643906836 353008748 /nfs/dbraw/zinc/00/87/48/353008748.db2.gz ADZRXOIJAOSUBB-GJMOJQLCSA-N 0 0 197.244 2.961 10 0 AFAERN CC[C@H]1CC[C@@H]1N[C@H](C)C(F)(F)F 643906938 353008805 /nfs/dbraw/zinc/00/88/05/353008805.db2.gz NNVVUPJTHUAAHI-CSMHCCOUSA-N 0 0 195.228 2.715 10 0 AFAERN C[C@H]1CC[C@@H](N[C@H](C)C(F)(F)F)C1 643906878 353008907 /nfs/dbraw/zinc/00/89/07/353008907.db2.gz YRQDGXZNIROAPT-XLPZGREQSA-N 0 0 195.228 2.715 10 0 AFAERN C[C@H]1[C@H](C)C[C@H]1N[C@@H](C)C(F)(F)F 643906921 353008915 /nfs/dbraw/zinc/00/89/15/353008915.db2.gz HNUKYGGJRKWAJE-VGRMVHKJSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@H]1CC[C@H](N[C@H](C)C(F)(F)F)C1 643906877 353008984 /nfs/dbraw/zinc/00/89/84/353008984.db2.gz YRQDGXZNIROAPT-RNJXMRFFSA-N 0 0 195.228 2.715 10 0 AFAERN C[C@H]1CCC[C@H]1N[C@H](C)C(F)(F)F 643906842 353009122 /nfs/dbraw/zinc/00/91/22/353009122.db2.gz BLNXLZODYBEVDU-XLPZGREQSA-N 0 0 195.228 2.715 10 0 AFAERN O[C@@H]1CCC[C@@H]1Sc1ccccc1 5813161 371619038 /nfs/dbraw/zinc/61/90/38/371619038.db2.gz JIAWDQCLDCXYTK-MNOVXSKESA-N 0 0 194.299 2.692 10 0 AFAERN CC(C)=CCC[C@H](C)[C@@H](C)CO 6020506 371620622 /nfs/dbraw/zinc/62/06/22/371620622.db2.gz FDEBVYXMAXZAIP-QWRGUYRKSA-N 0 0 170.296 2.997 10 0 AFAERN CC(C)=CCC[C@H](C)[C@H](C)CO 6020512 371620923 /nfs/dbraw/zinc/62/09/23/371620923.db2.gz FDEBVYXMAXZAIP-WDEREUQCSA-N 0 0 170.296 2.997 10 0 AFAERN CC(O)=CC(=O)c1ccc(Cl)cc1 16138747 371622060 /nfs/dbraw/zinc/62/20/60/371622060.db2.gz CVGCKCRYTLWORY-VOTSOKGWSA-N 0 0 196.633 2.985 10 0 AFAERN CCOc1coc2ccccc12 32302034 371631855 /nfs/dbraw/zinc/63/18/55/371631855.db2.gz VPBPQDVLUPHNGW-UHFFFAOYSA-N 0 0 162.188 2.832 10 0 AFAERN O[C@H](c1cccs1)C1CCC1 36156218 371632864 /nfs/dbraw/zinc/63/28/64/371632864.db2.gz DONGCMGUGCOAOS-VIFPVBQESA-N 0 0 168.261 2.582 10 0 AFAERN O[C@H](c1cc(F)ccc1F)C1CCC1 36157129 371632897 /nfs/dbraw/zinc/63/28/97/371632897.db2.gz IILGGOWPEXQFCD-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN O[C@H](c1ccc(F)cc1)C1CCC1 36156382 371632914 /nfs/dbraw/zinc/63/29/14/371632914.db2.gz KJKDDUAJFSUIIK-NSHDSACASA-N 0 0 180.222 2.659 10 0 AFAERN O[C@@H](c1ccc(F)cc1)C1CCC1 36156380 371633203 /nfs/dbraw/zinc/63/32/03/371633203.db2.gz KJKDDUAJFSUIIK-LLVKDONJSA-N 0 0 180.222 2.659 10 0 AFAERN S=c1[nH]c2cccc3c2n1CC=C3 59235337 371637595 /nfs/dbraw/zinc/63/75/95/371637595.db2.gz XXMDJIFKZSBPID-UHFFFAOYSA-N 0 0 188.255 2.726 10 0 AFAERN CC(C)=CC[C@@H](C)/C(C)=C/CO 59724830 371638521 /nfs/dbraw/zinc/63/85/21/371638521.db2.gz ZPIKDJYPRJOHLN-UEUZTHOGSA-N 0 0 168.280 2.917 10 0 AFAERN C1C2CC3CC1CC(C2)C3 59720902 371639292 /nfs/dbraw/zinc/63/92/92/371639292.db2.gz UNKFVZCOOQJJQA-UHFFFAOYSA-N 0 0 135.230 2.647 10 0 AFAERN O=Cc1cccc2c1ccn2C(F)F 70735343 371644599 /nfs/dbraw/zinc/64/45/99/371644599.db2.gz UNFAZLAKVQUIQB-UHFFFAOYSA-N 0 0 195.168 2.849 10 0 AFAERN CCCn1ccc2c(C=O)cccc21 70735293 371644955 /nfs/dbraw/zinc/64/49/55/371644955.db2.gz JKCAOBIMLFOTMB-UHFFFAOYSA-N 0 0 187.242 2.864 10 0 AFAERN Cc1ccc(C(=O)C2CC2)cc1F 70735793 371645212 /nfs/dbraw/zinc/64/52/12/371645212.db2.gz NOWAQESTSZFIEE-UHFFFAOYSA-N 0 0 178.206 2.727 10 0 AFAERN C[C@@H](c1nccs1)n1cccc1 70734544 371645332 /nfs/dbraw/zinc/64/53/32/371645332.db2.gz AFBMSMUOWGRFQR-QMMMGPOBSA-N 0 0 178.260 2.554 10 0 AFAERN CCOc1cccc(C(=O)C2CC2)c1 70735789 371645386 /nfs/dbraw/zinc/64/53/86/371645386.db2.gz QNIIGKZBDTYTEX-UHFFFAOYSA-N 0 0 190.242 2.678 10 0 AFAERN CCCn1ccc2c(CO)cccc21 70735397 371645509 /nfs/dbraw/zinc/64/55/09/371645509.db2.gz PBDGJXBDEUPXGH-UHFFFAOYSA-N 0 0 189.258 2.544 10 0 AFAERN C[C@H](c1nccs1)n1cccc1 70734545 371645552 /nfs/dbraw/zinc/64/55/52/371645552.db2.gz AFBMSMUOWGRFQR-MRVPVSSYSA-N 0 0 178.260 2.554 10 0 AFAERN Oc1ccc2[nH]c3c(c2c1)CCCC3 75577731 371649102 /nfs/dbraw/zinc/64/91/02/371649102.db2.gz YKWUWGSKZDEPTI-UHFFFAOYSA-N 0 0 187.242 2.752 10 0 AFAERN CCOc1cc2cccc(O)c2o1 75568231 371649208 /nfs/dbraw/zinc/64/92/08/371649208.db2.gz DLZKXFJYZUSQCH-UHFFFAOYSA-N 0 0 178.187 2.537 10 0 AFAERN CCC[C@H](O)c1ccc(Cl)nc1 87546133 371654345 /nfs/dbraw/zinc/65/43/45/371654345.db2.gz FBSZZFCTVMSVOK-QMMMGPOBSA-N 0 0 185.654 2.569 10 0 AFAERN CCC[C@@H](O)c1ccc(Cl)nc1 87546135 371654359 /nfs/dbraw/zinc/65/43/59/371654359.db2.gz FBSZZFCTVMSVOK-MRVPVSSYSA-N 0 0 185.654 2.569 10 0 AFAERN C[C@@H]1Oc2cc(Cl)ccc2N[C@@H]1C 160561579 371669028 /nfs/dbraw/zinc/66/90/28/371669028.db2.gz LKEMHORAKHEGED-RQJHMYQMSA-N 0 0 197.665 2.921 10 0 AFAERN C[C@@H]1Nc2ccc(Cl)cc2O[C@@H]1C 160561954 371669093 /nfs/dbraw/zinc/66/90/93/371669093.db2.gz LKEMHORAKHEGED-NKWVEPMBSA-N 0 0 197.665 2.921 10 0 AFAERN C[C@@H]1Nc2ccc(Cl)cc2O[C@H]1C 160561714 371669153 /nfs/dbraw/zinc/66/91/53/371669153.db2.gz LKEMHORAKHEGED-BQBZGAKWSA-N 0 0 197.665 2.921 10 0 AFAERN C[C@H]1Nc2ccc(Cl)cc2O[C@@H]1C 160561834 371669250 /nfs/dbraw/zinc/66/92/50/371669250.db2.gz LKEMHORAKHEGED-RNFRBKRXSA-N 0 0 197.665 2.921 10 0 AFAERN C[C@@](O)(c1ccccc1)C1CCC1 161212705 371670665 /nfs/dbraw/zinc/67/06/65/371670665.db2.gz DHURKFZCXASTRU-GFCCVEGCSA-N 0 0 176.259 2.694 10 0 AFAERN C[C@@H]1SCc2ccccc2C1=O 162070155 371672859 /nfs/dbraw/zinc/67/28/59/371672859.db2.gz HMTWIAPIZDNYMG-ZETCQYMHSA-N 0 0 178.256 2.505 10 0 AFAERN Cc1csc(CCC(F)(F)F)n1 164686796 371674920 /nfs/dbraw/zinc/67/49/20/371674920.db2.gz CINWPQDRIYEBTJ-UHFFFAOYSA-N 0 0 195.209 2.946 10 0 AFAERN Cc1ccc2c(c1)C(=O)C(C)(C)CO2 165487267 371678032 /nfs/dbraw/zinc/67/80/32/371678032.db2.gz ORCXRYMQNIYJCF-UHFFFAOYSA-N 0 0 190.242 2.596 10 0 AFAERN Cc1ccc(COCc2ccco2)o1 165474141 371678546 /nfs/dbraw/zinc/67/85/46/371678546.db2.gz IQFPBIKXTQDWEP-UHFFFAOYSA-N 0 0 192.214 2.898 10 0 AFAERN Cc1cc(N)cc(NC[C@H]2C[C@@H]2C)c1 166739463 371680893 /nfs/dbraw/zinc/68/08/93/371680893.db2.gz YHYVZMRKHNLDDU-VHSXEESVSA-N 0 0 190.290 2.645 10 0 AFAERN Cc1cc(N)cc(NC[C@H]2C[C@H]2C)c1 166739680 371681354 /nfs/dbraw/zinc/68/13/54/371681354.db2.gz YHYVZMRKHNLDDU-NXEZZACHSA-N 0 0 190.290 2.645 10 0 AFAERN Cc1cc(N)cc(NC[C@@H]2C[C@H]2C)c1 166739574 371681407 /nfs/dbraw/zinc/68/14/07/371681407.db2.gz YHYVZMRKHNLDDU-ZJUUUORDSA-N 0 0 190.290 2.645 10 0 AFAERN Cc1cc(N)cc(NC[C@@H]2C[C@@H]2C)c1 166739348 371681654 /nfs/dbraw/zinc/68/16/54/371681654.db2.gz YHYVZMRKHNLDDU-UWVGGRQHSA-N 0 0 190.290 2.645 10 0 AFAERN CCCCCSc1ncccn1 169093542 371685409 /nfs/dbraw/zinc/68/54/09/371685409.db2.gz HRIZIIITXKXAFP-UHFFFAOYSA-N 0 0 182.292 2.759 10 0 AFAERN Cc1ccc(C[Si](C)(C)C)nc1 196210064 371693255 /nfs/dbraw/zinc/69/32/55/371693255.db2.gz XOKPUNKRLBYSPN-UHFFFAOYSA-N 0 0 179.339 2.810 10 0 AFAERN CC(C)=C(C)CC(=O)C(C)C 196576866 371695857 /nfs/dbraw/zinc/69/58/57/371695857.db2.gz CLXYKHRMQRILCP-UHFFFAOYSA-N 0 0 154.253 2.958 10 0 AFAERN C=C=CC(=O)Oc1c(C)cccc1C 196958950 371696472 /nfs/dbraw/zinc/69/64/72/371696472.db2.gz NRISYMZZUACARU-UHFFFAOYSA-N 0 0 188.226 2.550 10 0 AFAERN CCCCC/C=C(/C)CO 198632906 371697989 /nfs/dbraw/zinc/69/79/89/371697989.db2.gz HWEAZWRCARSQBX-CLFYSBASSA-N 0 0 142.242 2.505 10 0 AFAERN CCCC/C=C/COC(=O)OC 198593240 371698181 /nfs/dbraw/zinc/69/81/81/371698181.db2.gz PONIORNUMSOFJD-VOTSOKGWSA-N 0 0 172.224 2.516 10 0 AFAERN O=C1C/C=C/CCCCCC1 198649824 371698392 /nfs/dbraw/zinc/69/83/92/371698392.db2.gz RSYGVVRAGPDQHJ-GQCTYLIASA-N 0 0 152.237 2.856 10 0 AFAERN C=Cc1ccc(-c2ccccn2)nc1 198581519 371698484 /nfs/dbraw/zinc/69/84/84/371698484.db2.gz YTSBSUDEBKYMDC-UHFFFAOYSA-N 0 0 182.226 2.787 10 0 AFAERN COC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 200606050 371701847 /nfs/dbraw/zinc/70/18/47/371701847.db2.gz CNEHSGHOTFXTAZ-GARJFASQSA-N 0 0 196.290 2.766 10 0 AFAERN C=C/C=C/c1ccccc1C(=O)OC 199369716 371699235 /nfs/dbraw/zinc/69/92/35/371699235.db2.gz ZROYGXQAMQOEOG-QPJJXVBHSA-N 0 0 188.226 2.672 10 0 AFAERN C[C@@H]1Cc2c(ccc(F)c2Cl)N1 200413179 371700897 /nfs/dbraw/zinc/70/08/97/371700897.db2.gz DCPSAEQWRCGOSC-RXMQYKEDSA-N 0 0 185.629 2.836 10 0 AFAERN C=C/C=C\P(=O)(OCC)OCC 200382579 371700923 /nfs/dbraw/zinc/70/09/23/371700923.db2.gz CIMBBEFERGFJOG-FPLPWBNLSA-N 0 0 190.179 2.952 10 0 AFAERN C[C@H]1Cc2c(ccc(F)c2Cl)N1 200413213 371700992 /nfs/dbraw/zinc/70/09/92/371700992.db2.gz DCPSAEQWRCGOSC-YFKPBYRVSA-N 0 0 185.629 2.836 10 0 AFAERN CCOC(=O)C1CCC(C2CC2)CC1 200583129 371701875 /nfs/dbraw/zinc/70/18/75/371701875.db2.gz USXFJXDQMZMDAK-UHFFFAOYSA-N 0 0 196.290 2.766 10 0 AFAERN CC(=O)c1nc(C(C)C)sc1C 205450704 371706549 /nfs/dbraw/zinc/70/65/49/371706549.db2.gz ZCVDSONEKBDACU-UHFFFAOYSA-N 0 0 183.276 2.778 10 0 AFAERN S=c1ccc(C2CC2)c[nH]1 222943028 371717442 /nfs/dbraw/zinc/71/74/42/371717442.db2.gz SWHNCPOUIQRCDB-UHFFFAOYSA-N 0 0 151.234 2.622 10 0 AFAERN Cc1ccc(-c2ccnc(N)c2)s1 222929438 371717473 /nfs/dbraw/zinc/71/74/73/371717473.db2.gz PZZCLEDYMDPZQB-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccsc1-c1ccnc(N)c1 222931130 371717656 /nfs/dbraw/zinc/71/76/56/371717656.db2.gz LXSGFCJSYBTWNQ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(-c2ccnc(N)c2)cs1 222928923 371717800 /nfs/dbraw/zinc/71/78/00/371717800.db2.gz NWFPZMJWVVXWFV-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@@H](Oc1cccc(C=O)c1)C1CC1 222956175 371718211 /nfs/dbraw/zinc/71/82/11/371718211.db2.gz FLHHIMRDNKQBSY-SECBINFHSA-N 0 0 190.242 2.676 10 0 AFAERN CC(C)(C)Nc1ccc(Cl)nc1N 231406309 371722932 /nfs/dbraw/zinc/72/29/32/371722932.db2.gz GHOWBMRNPQVMGX-UHFFFAOYSA-N 0 0 199.685 2.528 10 0 AFAERN CCCc1ccc2ncccc2c1N 238247350 371727177 /nfs/dbraw/zinc/72/71/77/371727177.db2.gz PZWOUTHRWOLRAS-UHFFFAOYSA-N 0 0 186.258 2.770 10 0 AFAERN CCC(C)(C)C(=O)c1ccccn1 238251477 371727104 /nfs/dbraw/zinc/72/71/04/371727104.db2.gz PGPLFFQLAVIBDF-UHFFFAOYSA-N 0 0 177.247 2.701 10 0 AFAERN C/C=C\CCc1ccc2c(c1)OCO2 256086276 371739236 /nfs/dbraw/zinc/73/92/36/371739236.db2.gz CGPMCHKIIRZNMP-IHWYPQMZSA-N 0 0 190.242 2.924 10 0 AFAERN CO[C@H]1CCC[C@@H]1Nc1ccccc1 306209920 371745659 /nfs/dbraw/zinc/74/56/59/371745659.db2.gz CHGLURMNGHGSCQ-RYUDHWBXSA-N 0 0 191.274 2.666 10 0 AFAERN CO[C@@H]1CCC[C@H]1Nc1ccccc1 306209921 371745769 /nfs/dbraw/zinc/74/57/69/371745769.db2.gz CHGLURMNGHGSCQ-VXGBXAGGSA-N 0 0 191.274 2.666 10 0 AFAERN CO[C@H]1CCC[C@H]1Nc1ccccc1 306209918 371745778 /nfs/dbraw/zinc/74/57/78/371745778.db2.gz CHGLURMNGHGSCQ-NEPJUHHUSA-N 0 0 191.274 2.666 10 0 AFAERN CO[C@@H]1CCC[C@@H]1Nc1ccccc1 306209919 371745883 /nfs/dbraw/zinc/74/58/83/371745883.db2.gz CHGLURMNGHGSCQ-NWDGAFQWSA-N 0 0 191.274 2.666 10 0 AFAERN Clc1nc(NCC2CC2)cs1 306449304 371754175 /nfs/dbraw/zinc/75/41/75/371754175.db2.gz XZKZEIPPNQMZTD-UHFFFAOYSA-N 0 0 188.683 2.618 10 0 AFAERN CC1(Nc2ccc(C(F)F)cn2)CC1 306499350 371758265 /nfs/dbraw/zinc/75/82/65/371758265.db2.gz JEHDBRZDGRXOCO-UHFFFAOYSA-N 0 0 198.216 2.984 10 0 AFAERN Cc1[nH]nc(NC(C)C)c1CC(C)C 306621260 371763147 /nfs/dbraw/zinc/76/31/47/371763147.db2.gz ZDUQRHSIAWJEPF-UHFFFAOYSA-N 0 0 195.310 2.737 10 0 AFAERN CC1(C)C[C@H]1c1ccc(Cl)nn1 306787665 371765493 /nfs/dbraw/zinc/76/54/93/371765493.db2.gz WFZVXKXJOQZYDP-LURJTMIESA-N 0 0 182.654 2.644 10 0 AFAERN CC1(C)C[C@@H]1c1ccc(Cl)nn1 306787667 371765709 /nfs/dbraw/zinc/76/57/09/371765709.db2.gz WFZVXKXJOQZYDP-ZCFIWIBFSA-N 0 0 182.654 2.644 10 0 AFAERN c1ccc2c(c1)CCCN2C1CC1 306928619 371768482 /nfs/dbraw/zinc/76/84/82/371768482.db2.gz YROUODQJPGFHHB-UHFFFAOYSA-N 0 0 173.259 2.602 10 0 AFAERN CCSCn1cnc2ccccc21 306996051 371769760 /nfs/dbraw/zinc/76/97/60/371769760.db2.gz RMUVFWYQCZTRSH-UHFFFAOYSA-N 0 0 192.287 2.747 10 0 AFAERN C[C@@H]1CC[C@@H]1Nc1cccc(Cl)n1 307048166 371771390 /nfs/dbraw/zinc/77/13/90/371771390.db2.gz JGCYTONFQDJIKP-SFYZADRCSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CC[C@H]1Nc1cccc(Cl)n1 307048165 371771448 /nfs/dbraw/zinc/77/14/48/371771448.db2.gz JGCYTONFQDJIKP-JGVFFNPUSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@H]1CC[C@@H]1Nc1cccc(Cl)n1 307048168 371771457 /nfs/dbraw/zinc/77/14/57/371771457.db2.gz JGCYTONFQDJIKP-YUMQZZPRSA-N 0 0 196.681 2.945 10 0 AFAERN CCCNc1cscc1C 307140764 371774177 /nfs/dbraw/zinc/77/41/77/371774177.db2.gz CEYDMQLDMASSMP-UHFFFAOYSA-N 0 0 155.266 2.878 10 0 AFAERN Cc1cscc1NCc1cocn1 307140968 371774308 /nfs/dbraw/zinc/77/43/08/371774308.db2.gz IGNDWGTZVLQWMA-UHFFFAOYSA-N 0 0 194.259 2.657 10 0 AFAERN C[C@H](N[C@@H](C)C(F)(F)F)[C@H]1C[C@H]1C 322115765 371792260 /nfs/dbraw/zinc/79/22/60/371792260.db2.gz BGLGSEBVBIJAHT-KVPKETBZSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](C)N[C@H](C)C(F)(F)F 322115778 371792452 /nfs/dbraw/zinc/79/24/52/371792452.db2.gz BGLGSEBVBIJAHT-XUTVFYLZSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@H](N[C@H](C)C(F)(F)F)[C@H]1C[C@H]1C 322115760 371792847 /nfs/dbraw/zinc/79/28/47/371792847.db2.gz BGLGSEBVBIJAHT-CWKFCGSDSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@H](N[C@H](C)[C@H]1C[C@H]1C)C(F)(F)F 322115771 371792925 /nfs/dbraw/zinc/79/29/25/371792925.db2.gz BGLGSEBVBIJAHT-NGJRWZKOSA-N 0 0 195.228 2.571 10 0 AFAERN COCCCCSCCCCF 388368023 371811670 /nfs/dbraw/zinc/81/16/70/371811670.db2.gz ALBFRLOQODIYLM-UHFFFAOYSA-N 0 0 194.315 2.896 10 0 AFAERN N#Cc1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)cc1 397641494 371813259 /nfs/dbraw/zinc/81/32/59/371813259.db2.gz AYXFDWXUKMPDGV-PTEHBNRSSA-N 0 0 198.269 2.769 10 0 AFAERN Cc1oncc1-c1cnc(C2CC2)o1 527531288 371817557 /nfs/dbraw/zinc/81/75/57/371817557.db2.gz CJZXCVSOQXUOQB-UHFFFAOYSA-N 0 0 190.202 2.515 10 0 AFAERN c1csc(-c2cnc(C3CC3)o2)n1 527531250 371817594 /nfs/dbraw/zinc/81/75/94/371817594.db2.gz AWYBSAQLXZVFJP-UHFFFAOYSA-N 0 0 192.243 2.676 10 0 AFAERN COc1cc(NC(C)C)ccc1C 575479621 371823462 /nfs/dbraw/zinc/82/34/62/371823462.db2.gz HRYBSUGRVSFGJS-UHFFFAOYSA-N 0 0 179.263 2.824 10 0 AFAERN CC1(C)C[C@H]1c1nccnc1Cl 575596506 371833568 /nfs/dbraw/zinc/83/35/68/371833568.db2.gz PZTWWTXEXNBLIC-LURJTMIESA-N 0 0 182.654 2.644 10 0 AFAERN CC1(C)C[C@@H]1c1nccnc1Cl 575596511 371833599 /nfs/dbraw/zinc/83/35/99/371833599.db2.gz PZTWWTXEXNBLIC-ZCFIWIBFSA-N 0 0 182.654 2.644 10 0 AFAERN CCc1cc(SC)c(C)cc1CO 575703416 371834932 /nfs/dbraw/zinc/83/49/32/371834932.db2.gz LTHJSZVUXQURAT-UHFFFAOYSA-N 0 0 196.315 2.772 10 0 AFAERN CCOC(=O)[C@@H]1C=CC(C)=CC=C1C 584602968 371835509 /nfs/dbraw/zinc/83/55/09/371835509.db2.gz HVGBURNSNKXAFE-LLVKDONJSA-N 0 0 192.258 2.628 10 0 AFAERN CCOC(=O)/C=C\[C@H](C)CC(C)C 584603072 371835518 /nfs/dbraw/zinc/83/55/18/371835518.db2.gz RMHCKVZTCJJYJI-GFVADAIESA-N 0 0 184.279 2.788 10 0 AFAERN CCOC(=O)[C@H]1C=CC(C)=CC=C1C 584602972 371835543 /nfs/dbraw/zinc/83/55/43/371835543.db2.gz HVGBURNSNKXAFE-NSHDSACASA-N 0 0 192.258 2.628 10 0 AFAERN CCOC(=O)/C=C\[C@@H](C)CC(C)C 584603074 371835572 /nfs/dbraw/zinc/83/55/72/371835572.db2.gz RMHCKVZTCJJYJI-JYESYGNLSA-N 0 0 184.279 2.788 10 0 AFAERN CC(=O)O/C=C/c1ccc(Cl)cc1 584609557 371836480 /nfs/dbraw/zinc/83/64/80/371836480.db2.gz GMTZUQWIHQNERM-VOTSOKGWSA-N 0 0 196.633 2.874 10 0 AFAERN C[Si](C)(C)/C=C1\CCCO1 584609525 371836420 /nfs/dbraw/zinc/83/64/20/371836420.db2.gz RJKVHSYDFRWRKV-BQYQJAHWSA-N 0 0 156.301 2.558 10 0 AFAERN O=C(c1ccco1)[C@@H]1CC=CCC1 584609544 371836457 /nfs/dbraw/zinc/83/64/57/371836457.db2.gz SBNNNETXXVGBLH-SECBINFHSA-N 0 0 176.215 2.819 10 0 AFAERN O=C(c1ccco1)[C@H]1CC=CCC1 584609545 371836487 /nfs/dbraw/zinc/83/64/87/371836487.db2.gz SBNNNETXXVGBLH-VIFPVBQESA-N 0 0 176.215 2.819 10 0 AFAERN COC/C=C/CCCCCCOC 584609569 371836495 /nfs/dbraw/zinc/83/64/95/371836495.db2.gz PRCPMDDCBYFLAZ-SOFGYWHQSA-N 0 0 186.295 2.786 10 0 AFAERN C/C=C/c1cccc(OC(C)=O)c1 584609523 371836519 /nfs/dbraw/zinc/83/65/19/371836519.db2.gz DLZOQPJQWWFLTF-HWKANZROSA-N 0 0 176.215 2.645 10 0 AFAERN CCC(CC)CCC1=NCCO1 584621475 371837790 /nfs/dbraw/zinc/83/77/90/371837790.db2.gz MZMWPAOMBUVBCD-UHFFFAOYSA-N 0 0 169.268 2.632 10 0 AFAERN C=C(c1ccccc1)c1ncccn1 584621511 371837816 /nfs/dbraw/zinc/83/78/16/371837816.db2.gz VVVANGPMOJJZRZ-UHFFFAOYSA-N 0 0 182.226 2.538 10 0 AFAERN C[C@@H]1COC(c2ccc(Cl)cc2)=N1 584623362 371838631 /nfs/dbraw/zinc/83/86/31/371838631.db2.gz KPVKVTZJISEJFH-SSDOTTSWSA-N 0 0 195.649 2.505 10 0 AFAERN C[C@H]1COC(c2ccc(Cl)cc2)=N1 584623363 371838706 /nfs/dbraw/zinc/83/87/06/371838706.db2.gz KPVKVTZJISEJFH-ZETCQYMHSA-N 0 0 195.649 2.505 10 0 AFAERN Cc1ccc([C@@H]2CO[C@@H](C)C2)cc1 584625977 371839418 /nfs/dbraw/zinc/83/94/18/371839418.db2.gz XSYNRHQSZZQTNH-JQWIXIFHSA-N 0 0 176.259 2.887 10 0 AFAERN Cc1cc2c(c[n+]([O-])c3ccccc23)o1 584625940 371839440 /nfs/dbraw/zinc/83/94/40/371839440.db2.gz NGMBZXXMMGJBNR-UHFFFAOYSA-N 0 0 199.209 2.528 10 0 AFAERN Cc1nc2c(o1)CCc1ccccc1-2 584625913 371839477 /nfs/dbraw/zinc/83/94/77/371839477.db2.gz BFNYXDVYHXMLSU-UHFFFAOYSA-N 0 0 185.226 2.749 10 0 AFAERN Cc1ccc([C@@H]2CO[C@H](C)C2)cc1 584625978 371839518 /nfs/dbraw/zinc/83/95/18/371839518.db2.gz XSYNRHQSZZQTNH-PWSUYJOCSA-N 0 0 176.259 2.887 10 0 AFAERN C=Cn1ccc(C(F)(F)F)c1C 584625949 371839537 /nfs/dbraw/zinc/83/95/37/371839537.db2.gz OVXBVJUKSSMXQR-UHFFFAOYSA-N 0 0 175.153 2.916 10 0 AFAERN Cc1ccc([C@H]2CO[C@@H](C)C2)cc1 584625976 371839540 /nfs/dbraw/zinc/83/95/40/371839540.db2.gz XSYNRHQSZZQTNH-CMPLNLGQSA-N 0 0 176.259 2.887 10 0 AFAERN Cc1nc(CCc2ccccc2)co1 584625924 371839600 /nfs/dbraw/zinc/83/96/00/371839600.db2.gz GNUPZVZOWKJJGD-UHFFFAOYSA-N 0 0 187.242 2.768 10 0 AFAERN Cc1ccc([C@H]2CO[C@H](C)C2)cc1 584625979 371839612 /nfs/dbraw/zinc/83/96/12/371839612.db2.gz XSYNRHQSZZQTNH-ZYHUDNBSSA-N 0 0 176.259 2.887 10 0 AFAERN CC(C)(C)[C@H]1CCCN1Cl 584630101 371840274 /nfs/dbraw/zinc/84/02/74/371840274.db2.gz IUUHTPGXIKRITK-SSDOTTSWSA-N 0 0 161.676 2.651 10 0 AFAERN CC(C)(C)[C@@H]1CCCN1Cl 584630102 371840348 /nfs/dbraw/zinc/84/03/48/371840348.db2.gz IUUHTPGXIKRITK-ZETCQYMHSA-N 0 0 161.676 2.651 10 0 AFAERN COc1ccc([C@H]2CO[C@@H](C)C2)cc1 584634686 371841175 /nfs/dbraw/zinc/84/11/75/371841175.db2.gz ZJATXHKSTMHUFO-GXSJLCMTSA-N 0 0 192.258 2.588 10 0 AFAERN CSC(=S)C=C(O)C(C)(C)C 584634711 371841180 /nfs/dbraw/zinc/84/11/80/371841180.db2.gz WQJNGAUGCDEJBE-UHFFFAOYSA-N 0 0 190.333 2.682 10 0 AFAERN C[C@@H]1C[C@H](c2ccc(F)cc2)CO1 584634659 371841222 /nfs/dbraw/zinc/84/12/22/371841222.db2.gz WETSHHDJVPJDMS-SCZZXKLOSA-N 0 0 180.222 2.718 10 0 AFAERN COc1ccc([C@H]2CO[C@H](C)C2)cc1 584634688 371841253 /nfs/dbraw/zinc/84/12/53/371841253.db2.gz ZJATXHKSTMHUFO-MWLCHTKSSA-N 0 0 192.258 2.588 10 0 AFAERN COc1ccc([C@@H]2CO[C@H](C)C2)cc1 584634687 371841260 /nfs/dbraw/zinc/84/12/60/371841260.db2.gz ZJATXHKSTMHUFO-KOLCDFICSA-N 0 0 192.258 2.588 10 0 AFAERN COc1ccc([C@@H]2CO[C@@H](C)C2)cc1 584634689 371841265 /nfs/dbraw/zinc/84/12/65/371841265.db2.gz ZJATXHKSTMHUFO-ONGXEEELSA-N 0 0 192.258 2.588 10 0 AFAERN C[C@H]1C[C@@H](c2ccc(F)cc2)CO1 584634660 371841271 /nfs/dbraw/zinc/84/12/71/371841271.db2.gz WETSHHDJVPJDMS-WCBMZHEXSA-N 0 0 180.222 2.718 10 0 AFAERN C[C@@H]1C[C@@H](c2ccc(F)cc2)CO1 584634658 371841318 /nfs/dbraw/zinc/84/13/18/371841318.db2.gz WETSHHDJVPJDMS-PSASIEDQSA-N 0 0 180.222 2.718 10 0 AFAERN C[C@H]1C[C@H](c2ccc(F)cc2)CO1 584634661 371841374 /nfs/dbraw/zinc/84/13/74/371841374.db2.gz WETSHHDJVPJDMS-WPRPVWTQSA-N 0 0 180.222 2.718 10 0 AFAERN COc1cc(Cl)c(O)c(C)c1F 584639703 371842019 /nfs/dbraw/zinc/84/20/19/371842019.db2.gz WUFRYGYJACPFDN-UHFFFAOYSA-N 0 0 190.601 2.502 10 0 AFAERN CC(=O)O/C(C)=C/CC=C(C)C 584639815 371842047 /nfs/dbraw/zinc/84/20/47/371842047.db2.gz UQSCPFYWCUSZFQ-VQHVLOKHSA-N 0 0 168.236 2.810 10 0 AFAERN COc1ccc2c(c1)CC=C[C@@H]2C 584639791 371842073 /nfs/dbraw/zinc/84/20/73/371842073.db2.gz QREIEUINSLDHDT-VIFPVBQESA-N 0 0 174.243 2.911 10 0 AFAERN C[C@H]1CCCC(=O)N1c1ccsc1 584639788 371842078 /nfs/dbraw/zinc/84/20/78/371842078.db2.gz PQQSOGDHGVGIEG-QMMMGPOBSA-N 0 0 195.287 2.654 10 0 AFAERN COc1ccc2c(c1)CC=C[C@H]2C 584639790 371842089 /nfs/dbraw/zinc/84/20/89/371842089.db2.gz QREIEUINSLDHDT-SECBINFHSA-N 0 0 174.243 2.911 10 0 AFAERN C[C@@H]1CCCC(=O)N1c1ccsc1 584639787 371842093 /nfs/dbraw/zinc/84/20/93/371842093.db2.gz PQQSOGDHGVGIEG-MRVPVSSYSA-N 0 0 195.287 2.654 10 0 AFAERN C/C=C/[C@H]1[C@@H](/C=C/C)[C@@H]2COC[C@H]12 584658540 371843633 /nfs/dbraw/zinc/84/36/33/371843633.db2.gz CPADRJXFVFDJLF-PEVUDYHNSA-N 0 0 178.275 2.647 10 0 AFAERN C[C@@H]1CC[C@](C)(CF)C1 606303752 371863044 /nfs/dbraw/zinc/86/30/44/371863044.db2.gz GWLOCXWSGAVGLW-SFYZADRCSA-N 0 0 130.206 2.782 10 0 AFAERN C[C@H]1CC[C@](C)(CF)C1 606303753 371863081 /nfs/dbraw/zinc/86/30/81/371863081.db2.gz GWLOCXWSGAVGLW-YUMQZZPRSA-N 0 0 130.206 2.782 10 0 AFAERN C[C@H]1CC[C@@](C)(CF)C1 606303751 371863182 /nfs/dbraw/zinc/86/31/82/371863182.db2.gz GWLOCXWSGAVGLW-JGVFFNPUSA-N 0 0 130.206 2.782 10 0 AFAERN Oc1ccc2ccncc2c1C(F)F 606303779 371863202 /nfs/dbraw/zinc/86/32/02/371863202.db2.gz HXYCCJLLBXTCNL-UHFFFAOYSA-N 0 0 195.168 2.878 10 0 AFAERN C[C@@H]1CC[C@@](C)(CF)C1 606303750 371863233 /nfs/dbraw/zinc/86/32/33/371863233.db2.gz GWLOCXWSGAVGLW-HTQZYQBOSA-N 0 0 130.206 2.782 10 0 AFAERN CCNc1ccc(Cl)cc1COC 644570223 371885517 /nfs/dbraw/zinc/88/55/17/371885517.db2.gz ZIWLHFZOTNXTRI-UHFFFAOYSA-N 0 0 199.681 2.918 10 0 AFAERN Cc1ccnc(-c2ccncc2C)c1 644614217 371888173 /nfs/dbraw/zinc/88/81/73/371888173.db2.gz NXPYKESLMFWCTE-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN c1coc(-c2cccc3n[nH]cc23)c1 644614837 371888386 /nfs/dbraw/zinc/88/83/86/371888386.db2.gz GEPNCMGACXOZIX-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN CCOc1cccc(-c2ccco2)n1 644614894 371888728 /nfs/dbraw/zinc/88/87/28/371888728.db2.gz UPXDTXBCFXWGOU-UHFFFAOYSA-N 0 0 189.214 2.740 10 0 AFAERN Cc1cc(-c2ccncc2C)ccn1 644614256 371888867 /nfs/dbraw/zinc/88/88/67/371888867.db2.gz QLCSZVDDCZUGAS-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CCCCNC(=O)CC1CC(C)(C)C1 644646960 371892673 /nfs/dbraw/zinc/89/26/73/371892673.db2.gz IMIXFQYSZNKVKG-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)CNC(=O)CC1CC(C)(C)C1 644644419 371892910 /nfs/dbraw/zinc/89/29/10/371892910.db2.gz RCDHZYNVAXFNCV-UHFFFAOYSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@@H](C)NC(=O)CC1CC(C)(C)C1 644647026 371892975 /nfs/dbraw/zinc/89/29/75/371892975.db2.gz DWUMVPIOOUEBEE-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)NC(=O)CC1CC(C)(C)C1 644647027 371893534 /nfs/dbraw/zinc/89/35/34/371893534.db2.gz DWUMVPIOOUEBEE-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CCN(CC)C(=O)CC1CC(C)(C)C1 644787783 371912428 /nfs/dbraw/zinc/91/24/28/371912428.db2.gz LJCOFPCPNARAID-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCCN(C)C(=O)CC1CC(C)(C)C1 644797028 371916435 /nfs/dbraw/zinc/91/64/35/371916435.db2.gz MEQPHRYLLOMJPI-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C 644810639 371918023 /nfs/dbraw/zinc/91/80/23/371918023.db2.gz GAXIVRJLFVSRBX-OUAUKWLOSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C 644810638 371918651 /nfs/dbraw/zinc/91/86/51/371918651.db2.gz GAXIVRJLFVSRBX-GMTAPVOTSA-N 0 0 197.322 2.680 10 0 AFAERN Cc1ccoc1CN(C)CC1(F)CC1 644840804 371921271 /nfs/dbraw/zinc/92/12/71/371921271.db2.gz GHRNJKJRDOYORN-UHFFFAOYSA-N 0 0 197.253 2.522 10 0 AFAERN CCCCNC(=O)C(C)(C)C(C)(C)C 644850048 371922966 /nfs/dbraw/zinc/92/29/66/371922966.db2.gz SRGXAGFLRAUIJE-UHFFFAOYSA-N 0 0 199.338 2.975 10 0 AFAERN CCc1noc(C(C)(C)C(C)(C)C)n1 644857522 371923763 /nfs/dbraw/zinc/92/37/63/371923763.db2.gz WGWKOWIVLNFEEB-UHFFFAOYSA-N 0 0 196.294 2.956 10 0 AFAERN CCN(C)Cc1c(F)cc(C)cc1F 644900726 371925364 /nfs/dbraw/zinc/92/53/64/371925364.db2.gz LBJCVUIITUKQPR-UHFFFAOYSA-N 0 0 199.244 2.725 10 0 AFAERN CC(C)(C)C(C)(C)C(=O)NCC1CC1 644871844 371925560 /nfs/dbraw/zinc/92/55/60/371925560.db2.gz MWHOOZNWKBDSFY-UHFFFAOYSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)N(C)C(=O)C(C)(C)C(C)(C)C 644881223 371925765 /nfs/dbraw/zinc/92/57/65/371925765.db2.gz DHJVIBCLMSEDQQ-UHFFFAOYSA-N 0 0 199.338 2.926 10 0 AFAERN CCCC(=O)N[C@H]1CC[C@H](CC)CC1 644928618 371930611 /nfs/dbraw/zinc/93/06/11/371930611.db2.gz UJUVLWSMXPYUDM-XYPYZODXSA-N 0 0 197.322 2.872 10 0 AFAERN CCCN1CCc2c(F)ccc(F)c21 645161768 371950601 /nfs/dbraw/zinc/95/06/01/371950601.db2.gz GJVOAVKEDOFTNU-UHFFFAOYSA-N 0 0 197.228 2.737 10 0 AFAERN c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc1 645383011 371962071 /nfs/dbraw/zinc/96/20/71/371962071.db2.gz UWLBTQMUNIVSAL-OUAUKWLOSA-N 0 0 188.274 2.682 10 0 AFAERN C[C@H]1C[N@H+](CC2=CCCC2)CCS1 645792456 371965102 /nfs/dbraw/zinc/96/51/02/371965102.db2.gz ZJLMDUOPXAGSDN-JTQLQIEISA-N 0 0 197.347 2.534 10 0 AFAERN CCCCOc1ccccc1OC 34027429 375293791 /nfs/dbraw/zinc/29/37/91/375293791.db2.gz FDGYZZIZZAXOEW-UHFFFAOYSA-N 0 0 180.247 2.874 10 0 AFAERN C[C@H]1CCCC[C@H]1Nc1nncs1 69965738 375317502 /nfs/dbraw/zinc/31/75/02/375317502.db2.gz FVSCJFBNQNYDHI-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@H]1CCC[C@@H](Nc2nncs2)C1 69965813 375317541 /nfs/dbraw/zinc/31/75/41/375317541.db2.gz ZAPPQJRPBWJVFH-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCC[C@H](Nc2nncs2)C1 69965808 375317562 /nfs/dbraw/zinc/31/75/62/375317562.db2.gz ZAPPQJRPBWJVFH-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCC[C@@H](Nc2nncs2)C1 69965811 375318276 /nfs/dbraw/zinc/31/82/76/375318276.db2.gz ZAPPQJRPBWJVFH-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCCC[C@@H]1Nc1nncs1 69965732 375318353 /nfs/dbraw/zinc/31/83/53/375318353.db2.gz FVSCJFBNQNYDHI-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN c1nnc(NC2CCCCCC2)s1 69965795 375318359 /nfs/dbraw/zinc/31/83/59/375318359.db2.gz MPXWCMSTAZTMPS-UHFFFAOYSA-N 0 0 197.307 2.673 10 0 AFAERN C[C@@H]1CCCC[C@H]1Nc1nncs1 69965735 375318448 /nfs/dbraw/zinc/31/84/48/375318448.db2.gz FVSCJFBNQNYDHI-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1cccc(N[C@@H]2CCCOC2)c1 70011193 375319858 /nfs/dbraw/zinc/31/98/58/375319858.db2.gz UJWLZXIKIBIGEU-GFCCVEGCSA-N 0 0 191.274 2.586 10 0 AFAERN CCC(=O)Nc1nc(C(C)C)cs1 70225006 375325058 /nfs/dbraw/zinc/32/50/58/375325058.db2.gz WISIARJCMKBQKW-UHFFFAOYSA-N 0 0 198.291 2.615 10 0 AFAERN CCC1CCC(NC(=O)C(C)C)CC1 70225811 375326320 /nfs/dbraw/zinc/32/63/20/375326320.db2.gz GAZHLTFLTNUNLS-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CC(=O)N1CCC[C@H]1C(C)C 74836387 375345394 /nfs/dbraw/zinc/34/53/94/375345394.db2.gz HWBMKWVNRYUTSL-NSHDSACASA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)CC(=O)N1CCC[C@@H]1C(C)C 74836386 375345564 /nfs/dbraw/zinc/34/55/64/375345564.db2.gz HWBMKWVNRYUTSL-LLVKDONJSA-N 0 0 197.322 2.680 10 0 AFAERN CCC(=O)Nc1ccc2cc[nH]c2c1 74842354 375345767 /nfs/dbraw/zinc/34/57/67/375345767.db2.gz JNOAJNPHSRRUCY-UHFFFAOYSA-N 0 0 188.230 2.516 10 0 AFAERN C[C@H]1CCCCCN1C(=O)C(C)(C)C 78739671 375349520 /nfs/dbraw/zinc/34/95/20/375349520.db2.gz RYMMSMGPLHGGSL-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN C[C@@H]1CCCCCN1C(=O)C(C)(C)C 78739667 375349710 /nfs/dbraw/zinc/34/97/10/375349710.db2.gz RYMMSMGPLHGGSL-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN CC(=O)c1nc(C)c(C(C)C)s1 77588122 375349816 /nfs/dbraw/zinc/34/98/16/375349816.db2.gz ZHQOFMYXHYCJPF-UHFFFAOYSA-N 0 0 183.276 2.778 10 0 AFAERN C[C@@H]1CCN(C(=O)C(C)(C)C)[C@H](C)C1 82738153 375369766 /nfs/dbraw/zinc/36/97/66/375369766.db2.gz CZODELAJRABOAZ-NXEZZACHSA-N 0 0 197.322 2.680 10 0 AFAERN CCNc1nc(C2CC2)c(C)s1 83053826 375374662 /nfs/dbraw/zinc/37/46/62/375374662.db2.gz AITKZJAGQOBERS-UHFFFAOYSA-N 0 0 182.292 2.761 10 0 AFAERN CCc1ccc(Cl)cc1C(=O)OC 161659872 375397772 /nfs/dbraw/zinc/39/77/72/375397772.db2.gz DHVIMENUJZOYEM-UHFFFAOYSA-N 0 0 198.649 2.689 10 0 AFAERN C=C[Si](C=C)(CC)CC 195758146 375401587 /nfs/dbraw/zinc/40/15/87/375401587.db2.gz UDLNYNSUFIHIKN-UHFFFAOYSA-N 0 0 140.302 2.925 10 0 AFAERN CC(=O)S/C=C/c1ccccc1 197967580 375404878 /nfs/dbraw/zinc/40/48/78/375404878.db2.gz HEIVVOSJJRIBAI-BQYQJAHWSA-N 0 0 178.256 2.937 10 0 AFAERN Cc1cccc(-c2ccncc2C)n1 201046326 375407213 /nfs/dbraw/zinc/40/72/13/375407213.db2.gz CSGMZBSZQQEXLU-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN Cc1ccc2c3c([nH]c2c1)CCC3 201479270 375408085 /nfs/dbraw/zinc/40/80/85/375408085.db2.gz DOZLMOQQCQXYIT-UHFFFAOYSA-N 0 0 171.243 2.965 10 0 AFAERN C(=C\c1ncco1)\c1ccccc1 201481164 375408137 /nfs/dbraw/zinc/40/81/37/375408137.db2.gz YCPDXJAYLHNNEA-SREVYHEPSA-N 0 0 171.199 2.845 10 0 AFAERN CCCNC(=O)C(C)(C)C(C)(C)C 201752018 375408783 /nfs/dbraw/zinc/40/87/83/375408783.db2.gz XREMAGHCUJWOOO-UHFFFAOYSA-N 0 0 185.311 2.585 10 0 AFAERN CC(C)SCCC1CC1 201781534 375408981 /nfs/dbraw/zinc/40/89/81/375408981.db2.gz FSCUSQPWRVGBAJ-UHFFFAOYSA-N 0 0 144.283 2.928 10 0 AFAERN CC(C)(C)C(=O)N1CC(C(C)(C)C)C1 202244358 375410078 /nfs/dbraw/zinc/41/00/78/375410078.db2.gz ZSAGQGGTSBZNIB-UHFFFAOYSA-N 0 0 197.322 2.537 10 0 AFAERN CCCN(C)C(=O)C(C)(C)C(C)(C)C 202313364 375410147 /nfs/dbraw/zinc/41/01/47/375410147.db2.gz YFYIRLRHAIEWJN-UHFFFAOYSA-N 0 0 199.338 2.927 10 0 AFAERN CCCC/C=C\C=C(/C)C(=O)OC 206390221 375414341 /nfs/dbraw/zinc/41/43/41/375414341.db2.gz LCQDUTODHJWLBW-UQGDGPGGSA-N 0 0 182.263 2.852 10 0 AFAERN CC1=N[C@]2(C)CCC[C@@H]2[C@](C)(F)O1 211632642 375415409 /nfs/dbraw/zinc/41/54/09/375415409.db2.gz YALUGMRQNBMWIQ-IVZWLZJFSA-N 0 0 185.242 2.680 10 0 AFAERN COCc1ccc(CSC)cc1 215983243 375416937 /nfs/dbraw/zinc/41/69/37/375416937.db2.gz ZVUHXXKQMKDOSU-UHFFFAOYSA-N 0 0 182.288 2.696 10 0 AFAERN C/C=C/CNc1ccc(F)cc1F 220138723 375421121 /nfs/dbraw/zinc/42/11/21/375421121.db2.gz OHCZDUUTKSCUNV-NSCUHMNNSA-N 0 0 183.201 2.953 10 0 AFAERN CC(C)=CCNc1ccnc(Cl)n1 227556268 375423247 /nfs/dbraw/zinc/42/32/47/375423247.db2.gz PXSYSKIKJVPNJL-UHFFFAOYSA-N 0 0 197.669 2.508 10 0 AFAERN CC1(Nc2ccnc(Cl)c2)CC1 227688958 375423340 /nfs/dbraw/zinc/42/33/40/375423340.db2.gz DYWRYNSJZLIOOE-UHFFFAOYSA-N 0 0 182.654 2.699 10 0 AFAERN S=c1cc[nH]c(-c2ccccn2)c1 227555667 375423594 /nfs/dbraw/zinc/42/35/94/375423594.db2.gz MQWKPCITYGFXSE-UHFFFAOYSA-N 0 0 188.255 2.806 10 0 AFAERN Nc1cc(Cl)cc(OC(F)F)c1 231400377 375426425 /nfs/dbraw/zinc/42/64/25/375426425.db2.gz JHDMJVISUBGQHI-UHFFFAOYSA-N 0 0 193.580 2.524 10 0 AFAERN CCC(CC)c1noc(C2(F)CC2)n1 351354590 375496951 /nfs/dbraw/zinc/49/69/51/375496951.db2.gz OCOOOCFSIWMAKH-UHFFFAOYSA-N 0 0 198.241 2.932 10 0 AFAERN CC(C)c1nc(Cl)nc2cc[nH]c12 238181134 375427181 /nfs/dbraw/zinc/42/71/81/375427181.db2.gz KQVQVFJJUMEJGB-UHFFFAOYSA-N 0 0 195.653 2.735 10 0 AFAERN Cc1cc(O)cc2c1CCCC2 238480392 375428659 /nfs/dbraw/zinc/42/86/59/375428659.db2.gz WCAJQFXWQDCGEP-UHFFFAOYSA-N 0 0 162.232 2.579 10 0 AFAERN Cc1ccccc1N[C@H]1CCC(=O)C1 238481011 375428696 /nfs/dbraw/zinc/42/86/96/375428696.db2.gz IEDAGHYDUSNNPN-JTQLQIEISA-N 0 0 189.258 2.529 10 0 AFAERN Cc1ccccc1N[C@@H]1CCC(=O)C1 238480378 375428875 /nfs/dbraw/zinc/42/88/75/375428875.db2.gz IEDAGHYDUSNNPN-SNVBAGLBSA-N 0 0 189.258 2.529 10 0 AFAERN CC(C)(C)[C@H]1CC[C@@](C)(O)CC1 263583675 375437366 /nfs/dbraw/zinc/43/73/66/375437366.db2.gz SSIUIKNPZLRZLO-JGZJWPJOSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(C(=O)C(C)(F)F)s1 306155204 375441152 /nfs/dbraw/zinc/44/11/52/375441152.db2.gz AGGQYIIJKLFMOC-UHFFFAOYSA-N 0 0 190.214 2.894 10 0 AFAERN CCS[C@H](C)c1cnc(C)cn1 306262868 375442700 /nfs/dbraw/zinc/44/27/00/375442700.db2.gz MKRWWZPMCNJLQV-MRVPVSSYSA-N 0 0 182.292 2.599 10 0 AFAERN Cc1ccnc(C)c1NC1CCC1 306718093 375457811 /nfs/dbraw/zinc/45/78/11/375457811.db2.gz WFPJLBXKLHYDHH-UHFFFAOYSA-N 0 0 176.263 2.663 10 0 AFAERN Cc1cc(Cl)nc(CC2CCC2)n1 307354092 375469381 /nfs/dbraw/zinc/46/93/81/375469381.db2.gz PWOMGVXCOOYNFK-UHFFFAOYSA-N 0 0 196.681 2.781 10 0 AFAERN C[C@@H]1C[C@H](C(=O)N(C)C)CC(C)(C)C1 334207669 375482506 /nfs/dbraw/zinc/48/25/06/375482506.db2.gz JQOZLFBXDWSSSG-ZJUUUORDSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)Cc1noc([C@@H]2CC23CC3)n1 335594898 375490140 /nfs/dbraw/zinc/49/01/40/375490140.db2.gz FJTVGDKPXIUKET-QMMMGPOBSA-N 0 0 192.262 2.536 10 0 AFAERN CC(C)Cc1noc([C@H]2CC23CC3)n1 335594897 375490234 /nfs/dbraw/zinc/49/02/34/375490234.db2.gz FJTVGDKPXIUKET-MRVPVSSYSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@@H]1CN(C(=O)CCC(C)(C)C)[C@@H]1C 336484545 375494295 /nfs/dbraw/zinc/49/42/95/375494295.db2.gz IITUBXJSHAWTOD-NXEZZACHSA-N 0 0 197.322 2.680 10 0 AFAERN CCc1noc(CC2CC(C)(C)C2)n1 350515496 375495533 /nfs/dbraw/zinc/49/55/33/375495533.db2.gz VXUVRCPYJGOWPW-UHFFFAOYSA-N 0 0 194.278 2.611 10 0 AFAERN FC1(c2nc(C3CCCC3)no2)CC1 351335885 375496616 /nfs/dbraw/zinc/49/66/16/375496616.db2.gz MGAMADPFTOFFRU-UHFFFAOYSA-N 0 0 196.225 2.686 10 0 AFAERN C[C@@H](c1noc(C2(F)CC2)n1)C1CC1 351353457 375496648 /nfs/dbraw/zinc/49/66/48/375496648.db2.gz BVRGGGLBXUHAFE-ZCFIWIBFSA-N 0 0 196.225 2.542 10 0 AFAERN C[C@H](c1noc(C2(F)CC2)n1)C1CC1 351353456 375497411 /nfs/dbraw/zinc/49/74/11/375497411.db2.gz BVRGGGLBXUHAFE-LURJTMIESA-N 0 0 196.225 2.542 10 0 AFAERN CCC/C=C/c1nc(CCC)no1 388362693 375498841 /nfs/dbraw/zinc/49/88/41/375498841.db2.gz UCGFLAUUAZXEQA-SOFGYWHQSA-N 0 0 180.251 2.835 10 0 AFAERN CCC/C=C\c1nc(CCC)no1 388362694 375498884 /nfs/dbraw/zinc/49/88/84/375498884.db2.gz UCGFLAUUAZXEQA-VURMDHGXSA-N 0 0 180.251 2.835 10 0 AFAERN c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1 403429943 375528737 /nfs/dbraw/zinc/52/87/37/375528737.db2.gz XSRMNXLCQHOICM-GMTAPVOTSA-N 0 0 188.274 2.682 10 0 AFAERN c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)nc1 403429941 375528913 /nfs/dbraw/zinc/52/89/13/375528913.db2.gz XSRMNXLCQHOICM-GARJFASQSA-N 0 0 188.274 2.682 10 0 AFAERN CC[S@](=N)(=O)c1cc(C)ccc1C 521399292 375540349 /nfs/dbraw/zinc/54/03/49/375540349.db2.gz BQQVQBDWDIAAEK-ZDUSSCGKSA-N 0 0 197.303 2.729 10 0 AFAERN CC[S@](=N)(=O)c1ccc(C)c(C)c1 521399813 375541548 /nfs/dbraw/zinc/54/15/48/375541548.db2.gz QYJFVWHPIWLNNM-ZDUSSCGKSA-N 0 0 197.303 2.729 10 0 AFAERN CC[S@](=N)(=O)c1ccc(C)cc1C 521399689 375541614 /nfs/dbraw/zinc/54/16/14/375541614.db2.gz GJDZXRMIPNBDCI-ZDUSSCGKSA-N 0 0 197.303 2.729 10 0 AFAERN CC[S@@](=N)(=O)c1ccc(C)cc1C 521399688 375541799 /nfs/dbraw/zinc/54/17/99/375541799.db2.gz GJDZXRMIPNBDCI-CYBMUJFWSA-N 0 0 197.303 2.729 10 0 AFAERN O=C1CSC([C@@H]2CCC[C@@H]3C[C@@H]32)=N1 575449660 375547721 /nfs/dbraw/zinc/54/77/21/375547721.db2.gz LNRAZAONAACUFM-PRJMDXOYSA-N 0 0 195.287 2.752 10 0 AFAERN O=C1CSC([C@@H]2CCC[C@H]3C[C@H]32)=N1 575449663 375547839 /nfs/dbraw/zinc/54/78/39/375547839.db2.gz LNRAZAONAACUFM-XLPZGREQSA-N 0 0 195.287 2.752 10 0 AFAERN CCc1ccc(C)c(CO)c1SC 575703301 375552111 /nfs/dbraw/zinc/55/21/11/375552111.db2.gz JWFNWFWOMPKSKK-UHFFFAOYSA-N 0 0 196.315 2.772 10 0 AFAERN CCc1c(SC)ccc(F)c1C=O 575703098 375552124 /nfs/dbraw/zinc/55/21/24/375552124.db2.gz WUVXJCHOFVZUIB-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCc1cc(CO)cc(C)c1SC 575702925 375552235 /nfs/dbraw/zinc/55/22/35/375552235.db2.gz IOWIDXDUUVWNLX-UHFFFAOYSA-N 0 0 196.315 2.772 10 0 AFAERN CCc1cc(SC)c(F)cc1C=O 575703244 375552269 /nfs/dbraw/zinc/55/22/69/375552269.db2.gz YVNKKEIFHVFUPT-UHFFFAOYSA-N 0 0 198.262 2.923 10 0 AFAERN CCCCN[P@@]1(=O)CC=C(C)C1 584614001 375553268 /nfs/dbraw/zinc/55/32/68/375553268.db2.gz VGYWQJUQWSVXNO-GFCCVEGCSA-N 0 0 187.223 2.614 10 0 AFAERN CCP(CC)c1ccccc1F 584614020 375553440 /nfs/dbraw/zinc/55/34/40/375553440.db2.gz XFAJIEIYJQFDJT-UHFFFAOYSA-N 0 0 184.194 2.973 10 0 AFAERN CCCCN[P@]1(=O)CC=C(C)C1 584614004 375553491 /nfs/dbraw/zinc/55/34/91/375553491.db2.gz VGYWQJUQWSVXNO-LBPRGKRZSA-N 0 0 187.223 2.614 10 0 AFAERN CN1CC[C@H]1c1ccccc1Cl 584621287 375554177 /nfs/dbraw/zinc/55/41/77/375554177.db2.gz KEZJDPGUFICIJN-JTQLQIEISA-N 0 0 181.666 2.717 10 0 AFAERN CN1CC[C@@H]1c1ccccc1Cl 584621288 375554190 /nfs/dbraw/zinc/55/41/90/375554190.db2.gz KEZJDPGUFICIJN-SNVBAGLBSA-N 0 0 181.666 2.717 10 0 AFAERN Cc1cc2c(s1)C(=O)[C@H](C)[C@H]2C 584634592 375554607 /nfs/dbraw/zinc/55/46/07/375554607.db2.gz NYSSJVMURAJWNP-RNFRBKRXSA-N 0 0 180.272 2.992 10 0 AFAERN C[Si]1(C)CCSc2ccccc21 584634646 375554673 /nfs/dbraw/zinc/55/46/73/375554673.db2.gz RBAYQHAGKIXJJX-UHFFFAOYSA-N 0 0 194.375 2.708 10 0 AFAERN Cc1cc2c(s1)C(=O)[C@H](C)[C@@H]2C 584634591 375554700 /nfs/dbraw/zinc/55/47/00/375554700.db2.gz NYSSJVMURAJWNP-NKWVEPMBSA-N 0 0 180.272 2.992 10 0 AFAERN Cc1cc2c(s1)C(=O)[C@@H](C)[C@@H]2C 584634586 375554725 /nfs/dbraw/zinc/55/47/25/375554725.db2.gz NYSSJVMURAJWNP-BQBZGAKWSA-N 0 0 180.272 2.992 10 0 AFAERN Cc1cc2c(s1)C(=O)[C@@H](C)[C@H]2C 584634594 375554733 /nfs/dbraw/zinc/55/47/33/375554733.db2.gz NYSSJVMURAJWNP-RQJHMYQMSA-N 0 0 180.272 2.992 10 0 AFAERN Oc1ccc(F)c2c(F)cccc12 584634620 375554837 /nfs/dbraw/zinc/55/48/37/375554837.db2.gz OTRYQRUOFZOBHO-UHFFFAOYSA-N 0 0 180.153 2.824 10 0 AFAERN CC(C)N=[S@](C)(=O)c1ccccc1 584651679 375555121 /nfs/dbraw/zinc/55/51/21/375555121.db2.gz BTBLVEKSAGNHNZ-CYBMUJFWSA-N 0 0 197.303 2.552 10 0 AFAERN CC(C)N=[S@@](C)(=O)c1ccccc1 584651682 375555419 /nfs/dbraw/zinc/55/54/19/375555419.db2.gz BTBLVEKSAGNHNZ-ZDUSSCGKSA-N 0 0 197.303 2.552 10 0 AFAERN ClC1=C2C[C@H]2CCC1 584652226 375555486 /nfs/dbraw/zinc/55/54/86/375555486.db2.gz ICCBIGFBKPANJE-RXMQYKEDSA-N 0 0 128.602 2.683 10 0 AFAERN O=C1OC2(C=CCC=C2)c2ccccc21 584651708 375555555 /nfs/dbraw/zinc/55/55/55/375555555.db2.gz USXCJHKRQYRFMT-UHFFFAOYSA-N 0 0 198.221 2.568 10 0 AFAERN CC(C)CC(=O)NC(C)(C)C(C)(C)C 646467340 375592887 /nfs/dbraw/zinc/59/28/87/375592887.db2.gz JLKNMUGEJBYQIA-UHFFFAOYSA-N 0 0 199.338 2.973 10 0 AFAERN CC(C)(C)C(C)(C)NC(=O)CC1CC1 646466798 375592973 /nfs/dbraw/zinc/59/29/73/375592973.db2.gz ZAZQVAOFEPLWTO-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)NC(C)(C)C(C)(C)C 646467354 375593109 /nfs/dbraw/zinc/59/31/09/375593109.db2.gz PQPFJUFCYBGRDK-IUCAKERBSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)NC(C)(C)C(C)(C)C 646467355 375593115 /nfs/dbraw/zinc/59/31/15/375593115.db2.gz PQPFJUFCYBGRDK-RKDXNWHRSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)NC(C)(C)C(C)(C)C 646467352 375593151 /nfs/dbraw/zinc/59/31/51/375593151.db2.gz PQPFJUFCYBGRDK-BDAKNGLRSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@H]1C[C@H]1C(=O)NC(C)(C)C(C)(C)C 646467353 375593245 /nfs/dbraw/zinc/59/32/45/375593245.db2.gz PQPFJUFCYBGRDK-DTWKUNHWSA-N 0 0 197.322 2.583 10 0 AFAERN C=C/C(C)=C/CC(=O)N1CC[C@@H]1CC 647057005 375611479 /nfs/dbraw/zinc/61/14/79/375611479.db2.gz KGJNXLAXCWBZDV-RUYJGKKWSA-N 0 0 193.290 2.520 10 0 AFAERN CC[C@H](C)[C@@H](C)C(=O)N1CC[C@@H]1CC 647057900 375612738 /nfs/dbraw/zinc/61/27/38/375612738.db2.gz ZMZJYQJBLSYSHJ-AXFHLTTASA-N 0 0 197.322 2.680 10 0 AFAERN CCC(CC)CC(=O)N1CC[C@H]1CC 647055517 375610201 /nfs/dbraw/zinc/61/02/01/375610201.db2.gz SEXNVPZNGDNWRG-LLVKDONJSA-N 0 0 197.322 2.824 10 0 AFAERN CCC[C@@H](C)CC(=O)N1CC[C@H]1CC 647055570 375610360 /nfs/dbraw/zinc/61/03/60/375610360.db2.gz DBRLWJXUDHKIJP-GHMZBOCLSA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@@H]1CCN1C(=O)CC(C)(C)CC 647055665 375610400 /nfs/dbraw/zinc/61/04/00/375610400.db2.gz RFMDWMVOQIFALE-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN CCCC[C@H](C)C(=O)N1CC[C@H]1CC 647055707 375610416 /nfs/dbraw/zinc/61/04/16/375610416.db2.gz ZJLNSWXDKCGNSG-WDEREUQCSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCCC(=O)N1CC[C@H]1CC 647054688 375610431 /nfs/dbraw/zinc/61/04/31/375610431.db2.gz FOQAXOUAVMJITE-SNVBAGLBSA-N 0 0 183.295 2.578 10 0 AFAERN CCC(CC)CC(=O)N1CC[C@@H]1CC 647055518 375610449 /nfs/dbraw/zinc/61/04/49/375610449.db2.gz SEXNVPZNGDNWRG-NSHDSACASA-N 0 0 197.322 2.824 10 0 AFAERN CCCC[C@@H](C)C(=O)N1CC[C@H]1CC 647055703 375610533 /nfs/dbraw/zinc/61/05/33/375610533.db2.gz ZJLNSWXDKCGNSG-GHMZBOCLSA-N 0 0 197.322 2.824 10 0 AFAERN CCC[C@@H](C)CC(=O)N1CC[C@@H]1CC 647055571 375610548 /nfs/dbraw/zinc/61/05/48/375610548.db2.gz DBRLWJXUDHKIJP-MNOVXSKESA-N 0 0 197.322 2.824 10 0 AFAERN CCCC[C@H](C)C(=O)N1CC[C@@H]1CC 647055706 375610562 /nfs/dbraw/zinc/61/05/62/375610562.db2.gz ZJLNSWXDKCGNSG-QWRGUYRKSA-N 0 0 197.322 2.824 10 0 AFAERN CCCC[C@@H](C)C(=O)N1CC[C@@H]1CC 647055704 375610569 /nfs/dbraw/zinc/61/05/69/375610569.db2.gz ZJLNSWXDKCGNSG-MNOVXSKESA-N 0 0 197.322 2.824 10 0 AFAERN CCC[C@H](C)CC(=O)N1CC[C@@H]1CC 647055572 375610618 /nfs/dbraw/zinc/61/06/18/375610618.db2.gz DBRLWJXUDHKIJP-QWRGUYRKSA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H]1CCN1C(=O)CC(C)(C)CC 647055664 375610627 /nfs/dbraw/zinc/61/06/27/375610627.db2.gz RFMDWMVOQIFALE-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CCC[C@H](C)CC(=O)N1CC[C@H]1CC 647055573 375610636 /nfs/dbraw/zinc/61/06/36/375610636.db2.gz DBRLWJXUDHKIJP-WDEREUQCSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCCC(=O)N1CC[C@@H]1CC 647054687 375610670 /nfs/dbraw/zinc/61/06/70/375610670.db2.gz FOQAXOUAVMJITE-JTQLQIEISA-N 0 0 183.295 2.578 10 0 AFAERN C=C/C(C)=C\CC(=O)N1CC[C@@H]1CC 647057007 375611110 /nfs/dbraw/zinc/61/11/10/375611110.db2.gz KGJNXLAXCWBZDV-YAEJEKNGSA-N 0 0 193.290 2.520 10 0 AFAERN CC[C@H]1CCN1C(=O)[C@H](C)CC(C)C 647057671 375611156 /nfs/dbraw/zinc/61/11/56/375611156.db2.gz DKVKMGHTQMMRRE-MNOVXSKESA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H]1CCN1C(=O)CCCC1CC1 647057731 375611179 /nfs/dbraw/zinc/61/11/79/375611179.db2.gz AVVFOXZHVBLCGK-NSHDSACASA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@@H](C)CCC(=O)N1CC[C@H]1CC 647057686 375611244 /nfs/dbraw/zinc/61/12/44/375611244.db2.gz HDJPRTZMWDJUPA-GHMZBOCLSA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H](C)CCC(=O)N1CC[C@@H]1CC 647057688 375611337 /nfs/dbraw/zinc/61/13/37/375611337.db2.gz HDJPRTZMWDJUPA-QWRGUYRKSA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H]1CCN1C(=O)CCC(C)(C)C 647057400 375611387 /nfs/dbraw/zinc/61/13/87/375611387.db2.gz RRXVBRCYRHABIL-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H](C)CCC(=O)N1CC[C@H]1CC 647057689 375611413 /nfs/dbraw/zinc/61/14/13/375611413.db2.gz HDJPRTZMWDJUPA-WDEREUQCSA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H]1CCN1C(=O)CC[C@H](C)CC 647057687 375611574 /nfs/dbraw/zinc/61/15/74/375611574.db2.gz HDJPRTZMWDJUPA-MNOVXSKESA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@@H]1CCN1C(=O)[C@H](C)CC(C)C 647057670 375611580 /nfs/dbraw/zinc/61/15/80/375611580.db2.gz DKVKMGHTQMMRRE-GHMZBOCLSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H]1CCN1C(=O)[C@@H](C)CC(C)C 647057673 375611594 /nfs/dbraw/zinc/61/15/94/375611594.db2.gz DKVKMGHTQMMRRE-WDEREUQCSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H]1CCN1C(=O)CCC(C)(C)C 647057401 375611609 /nfs/dbraw/zinc/61/16/09/375611609.db2.gz RRXVBRCYRHABIL-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN C=C/C(C)=C/CC(=O)N1CC[C@H]1CC 647057004 375611613 /nfs/dbraw/zinc/61/16/13/375611613.db2.gz KGJNXLAXCWBZDV-CDCCAWJDSA-N 0 0 193.290 2.520 10 0 AFAERN CC[C@@H]1CCN1C(=O)CCCC1CC1 647057730 375611647 /nfs/dbraw/zinc/61/16/47/375611647.db2.gz AVVFOXZHVBLCGK-LLVKDONJSA-N 0 0 195.306 2.578 10 0 AFAERN C=C/C(C)=C\CC(=O)N1CC[C@H]1CC 647057006 375611702 /nfs/dbraw/zinc/61/17/02/375611702.db2.gz KGJNXLAXCWBZDV-SDKXAQGSSA-N 0 0 193.290 2.520 10 0 AFAERN CC[C@H]1CCN1C(=O)[C@@H](C)CC(C)C 647057672 375611718 /nfs/dbraw/zinc/61/17/18/375611718.db2.gz DKVKMGHTQMMRRE-QWRGUYRKSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N1CC[C@@H]1CC 647057901 375612349 /nfs/dbraw/zinc/61/23/49/375612349.db2.gz ZMZJYQJBLSYSHJ-DCAQKATOSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)[C@@H](C)C(=O)N1CC[C@H]1CC 647057903 375612560 /nfs/dbraw/zinc/61/25/60/375612560.db2.gz ZMZJYQJBLSYSHJ-HBNTYKKESA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H]1CCN1C(=O)CCC1CCC1 647058278 375612596 /nfs/dbraw/zinc/61/25/96/375612596.db2.gz GLONLHRIYDCEJD-LLVKDONJSA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N1CC[C@H]1CC 647057902 375612640 /nfs/dbraw/zinc/61/26/40/375612640.db2.gz ZMZJYQJBLSYSHJ-GARJFASQSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H]1CCN1C(=O)CCC1CCC1 647058279 375612905 /nfs/dbraw/zinc/61/29/05/375612905.db2.gz GLONLHRIYDCEJD-NSHDSACASA-N 0 0 195.306 2.578 10 0 AFAERN C1=C(CSc2cccnn2)CCC1 647119905 375622757 /nfs/dbraw/zinc/62/27/57/375622757.db2.gz ZAVAXQBVCMRGPG-UHFFFAOYSA-N 0 0 192.287 2.679 10 0 AFAERN C1=C(CSc2ncccn2)CCC1 647114280 375622806 /nfs/dbraw/zinc/62/28/06/375622806.db2.gz BYMNLTTZUCUVCT-UHFFFAOYSA-N 0 0 192.287 2.679 10 0 AFAERN C1=C(CSc2nncs2)CCC1 647114883 375623028 /nfs/dbraw/zinc/62/30/28/375623028.db2.gz HRMZRDUMHUDEIZ-UHFFFAOYSA-N 0 0 198.316 2.741 10 0 AFAERN C1=C(CSc2ncco2)CCC1 647120318 375623124 /nfs/dbraw/zinc/62/31/24/375623124.db2.gz FULUIKAQRURPBA-UHFFFAOYSA-N 0 0 181.260 2.877 10 0 AFAERN Cc1c(Cl)cnn1CC1=CCCC1 647157951 375623735 /nfs/dbraw/zinc/62/37/35/375623735.db2.gz CPPIVNIQFYRHIA-UHFFFAOYSA-N 0 0 196.681 2.955 10 0 AFAERN Cc1ccc(OCC2=CCCC2)cn1 647157644 375623749 /nfs/dbraw/zinc/62/37/49/375623749.db2.gz MWCXUDVQDMFTDP-UHFFFAOYSA-N 0 0 189.258 2.879 10 0 AFAERN CCc1csc(=O)n1C[C@@H](C)CC 647133441 375623819 /nfs/dbraw/zinc/62/38/19/375623819.db2.gz OLRGMHAOBBNYMO-QMMMGPOBSA-N 0 0 199.319 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375678061 /nfs/dbraw/zinc/67/80/61/375678061.db2.gz QECNBTLSTBDNQI-YUMQZZPRSA-N 0 0 195.228 2.669 10 0 AFAERN CCCCCN1CC[C@@H]1C(F)(F)F 647937703 375678162 /nfs/dbraw/zinc/67/81/62/375678162.db2.gz WLYXFLODXQJNMM-MRVPVSSYSA-N 0 0 195.228 2.813 10 0 AFAERN CC(C)CCN1CC[C@@H]1C(F)(F)F 647936093 375678363 /nfs/dbraw/zinc/67/83/63/375678363.db2.gz WLIDWLOOKPDMLQ-MRVPVSSYSA-N 0 0 195.228 2.669 10 0 AFAERN CC[C@@H](C)CN1CC[C@@H]1C(F)(F)F 647935819 375678444 /nfs/dbraw/zinc/67/84/44/375678444.db2.gz QECNBTLSTBDNQI-HTQZYQBOSA-N 0 0 195.228 2.669 10 0 AFAERN CCCCCN1CC[C@H]1C(F)(F)F 647937704 375678610 /nfs/dbraw/zinc/67/86/10/375678610.db2.gz WLYXFLODXQJNMM-QMMMGPOBSA-N 0 0 195.228 2.813 10 0 AFAERN CC[C@@H](C)CN1CC[C@H]1C(F)(F)F 647935821 375678809 /nfs/dbraw/zinc/67/88/09/375678809.db2.gz QECNBTLSTBDNQI-SFYZADRCSA-N 0 0 195.228 2.669 10 0 AFAERN CC[C@H](C)CN1CC[C@@H]1C(F)(F)F 647935820 375678899 /nfs/dbraw/zinc/67/88/99/375678899.db2.gz QECNBTLSTBDNQI-JGVFFNPUSA-N 0 0 195.228 2.669 10 0 AFAERN 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CC(C)CCCC(=O)NC[C@@H]1C[C@@H]1C 648147621 375698384 /nfs/dbraw/zinc/69/83/84/375698384.db2.gz DKAXPKPGSCVDSB-QWRGUYRKSA-N 0 0 197.322 2.585 10 0 AFAERN CCC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1CC 648146377 375698522 /nfs/dbraw/zinc/69/85/22/375698522.db2.gz INWKSSOGQJNSFB-GMTAPVOTSA-N 0 0 197.322 2.680 10 0 AFAERN CCC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1CC 648146378 375698621 /nfs/dbraw/zinc/69/86/21/375698621.db2.gz INWKSSOGQJNSFB-HBNTYKKESA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)CCCC(=O)NC[C@H]1C[C@H]1C 648147619 375698698 /nfs/dbraw/zinc/69/86/98/375698698.db2.gz DKAXPKPGSCVDSB-GHMZBOCLSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)CCCC(=O)N(C)CC1CC1 648162369 375699647 /nfs/dbraw/zinc/69/96/47/375699647.db2.gz WDSQSGQTJDGZHB-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC 648188936 375702301 /nfs/dbraw/zinc/70/23/01/375702301.db2.gz WIQJRSGDGFYJHO-LNFKQOIKSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)[C@H](C)NC(=O)[C@@H]1C[C@H]1CC 648188935 375702323 /nfs/dbraw/zinc/70/23/23/375702323.db2.gz WIQJRSGDGFYJHO-LMLFDSFASA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC 648188934 375702345 /nfs/dbraw/zinc/70/23/45/375702345.db2.gz WIQJRSGDGFYJHO-GWOFURMSSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1C[C@H]1CC 648188937 375702543 /nfs/dbraw/zinc/70/25/43/375702543.db2.gz WIQJRSGDGFYJHO-UKKRHICBSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)CCCC(=O)NCC(C)(C)C 648182135 375702875 /nfs/dbraw/zinc/70/28/75/375702875.db2.gz WKNUFHFSIRHPJK-UHFFFAOYSA-N 0 0 199.338 2.975 10 0 AFAERN CCC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1CC 648208383 375703718 /nfs/dbraw/zinc/70/37/18/375703718.db2.gz JNLCIAVRZXDXGA-GMTAPVOTSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](CC)NC(=O)[C@@H]1C[C@H]1CC 648208384 375704310 /nfs/dbraw/zinc/70/43/10/375704310.db2.gz JNLCIAVRZXDXGA-OUAUKWLOSA-N 0 0 197.322 2.727 10 0 AFAERN CCCN(C)C(=O)CCCC(C)C 648215228 375705002 /nfs/dbraw/zinc/70/50/02/375705002.db2.gz YWXBBPDIUXFSOU-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN CCCN(C)C(=O)[C@@H]1CCC[C@H]1CC 648215209 375705009 /nfs/dbraw/zinc/70/50/09/375705009.db2.gz FOOUCVXHVFNPKV-GHMZBOCLSA-N 0 0 197.322 2.681 10 0 AFAERN CCCN(C)C(=O)[C@@H]1CCC[C@@H]1CC 648215212 375705204 /nfs/dbraw/zinc/70/52/04/375705204.db2.gz FOOUCVXHVFNPKV-WDEREUQCSA-N 0 0 197.322 2.681 10 0 AFAERN CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1CC 648223473 375705362 /nfs/dbraw/zinc/70/53/62/375705362.db2.gz MNBCXPORQTXJTK-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CCCN(C)C(=O)[C@H]1CCC[C@@H]1CC 648215211 375705482 /nfs/dbraw/zinc/70/54/82/375705482.db2.gz FOOUCVXHVFNPKV-QWRGUYRKSA-N 0 0 197.322 2.681 10 0 AFAERN CCCN(C)C(=O)[C@H]1CCC[C@H]1CC 648215210 375705549 /nfs/dbraw/zinc/70/55/49/375705549.db2.gz FOOUCVXHVFNPKV-MNOVXSKESA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)N(C)CC(C)(C)C 648249401 375706493 /nfs/dbraw/zinc/70/64/93/375706493.db2.gz LQDAFPOAPXAWSW-NXEZZACHSA-N 0 0 197.322 2.537 10 0 AFAERN CCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C 648237551 375706660 /nfs/dbraw/zinc/70/66/60/375706660.db2.gz GVUSRAWAWGGKEK-VHSXEESVSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)CCCC(=O)N1CC[C@H](C)C1 648238286 375706969 /nfs/dbraw/zinc/70/69/69/375706969.db2.gz AELFHXBKKZYTLX-NSHDSACASA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)CCCC(=O)N1CC[C@@H](C)C1 648238285 375707004 /nfs/dbraw/zinc/70/70/04/375707004.db2.gz AELFHXBKKZYTLX-LLVKDONJSA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)NC(C)(C)C(C)C 648258687 375707595 /nfs/dbraw/zinc/70/75/95/375707595.db2.gz GTCCQOJBTGUKLB-NXEZZACHSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1CC 648304476 375709271 /nfs/dbraw/zinc/70/92/71/375709271.db2.gz QGEALWCMEZEKOP-GMTAPVOTSA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)NC(C)(CC)CC 648323857 375709276 /nfs/dbraw/zinc/70/92/76/375709276.db2.gz UGSGTJXHKGEYCT-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1CC 648304477 375709433 /nfs/dbraw/zinc/70/94/33/375709433.db2.gz QGEALWCMEZEKOP-HBNTYKKESA-N 0 0 197.322 2.537 10 0 AFAERN CN(CCC(C)(C)C)C(=O)C1=CCC1 648545126 375717683 /nfs/dbraw/zinc/71/76/83/375717683.db2.gz YBARGHBTKCMHLL-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN CC(C)C[C@H](C)C(=O)N(C)C(C)(C)C 648593306 375720680 /nfs/dbraw/zinc/72/06/80/375720680.db2.gz HLAIBBXJKAVOIA-JTQLQIEISA-N 0 0 199.338 2.926 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N(C)C(C)(C)C 648593307 375720872 /nfs/dbraw/zinc/72/08/72/375720872.db2.gz HLAIBBXJKAVOIA-SNVBAGLBSA-N 0 0 199.338 2.926 10 0 AFAERN CC[C@@H](NC(C)=O)c1csc(C)c1 648654092 375729041 /nfs/dbraw/zinc/72/90/41/375729041.db2.gz DJMFDTWNUHVDQT-SNVBAGLBSA-N 0 0 197.303 2.644 10 0 AFAERN CC[C@H](NC(C)=O)c1csc(C)c1 648654091 375729132 /nfs/dbraw/zinc/72/91/32/375729132.db2.gz DJMFDTWNUHVDQT-JTQLQIEISA-N 0 0 197.303 2.644 10 0 AFAERN CCC(=O)N1CCCC[C@H]1C1CCC1 648705869 375733509 /nfs/dbraw/zinc/73/35/09/375733509.db2.gz SUTXTOHXZMUQJA-NSHDSACASA-N 0 0 195.306 2.578 10 0 AFAERN CCC(=O)N1CCCC[C@@H]1C1CCC1 648705868 375733775 /nfs/dbraw/zinc/73/37/75/375733775.db2.gz SUTXTOHXZMUQJA-LLVKDONJSA-N 0 0 195.306 2.578 10 0 AFAERN Cc1ccc2nc[nH]c(=S)c2c1 15781095 409314560 /nfs/dbraw/zinc/31/45/60/409314560.db2.gz ACIHIXHQFRGLRV-UHFFFAOYSA-N 0 0 176.244 2.601 10 0 AFAERN Cc1cc(C)nc(N[C@@H](C)C(C)C)n1 35206298 409316091 /nfs/dbraw/zinc/31/60/91/409316091.db2.gz IJIKFJJYWJQKAA-JTQLQIEISA-N 0 0 193.294 2.550 10 0 AFAERN Cc1cc(C)nc(N[C@H](C)C(C)C)n1 35206299 409316384 /nfs/dbraw/zinc/31/63/84/409316384.db2.gz IJIKFJJYWJQKAA-SNVBAGLBSA-N 0 0 193.294 2.550 10 0 AFAERN C=C/C(C)=C/CC(=O)NC1(CC)CC1 651034282 409320179 /nfs/dbraw/zinc/32/01/79/409320179.db2.gz ONSUSLDGLZYRHS-UXBLZVDNSA-N 0 0 193.290 2.568 10 0 AFAERN C=C/C(C)=C\CC(=O)NC1(CC)CC1 651034281 409320491 /nfs/dbraw/zinc/32/04/91/409320491.db2.gz ONSUSLDGLZYRHS-POHAHGRESA-N 0 0 193.290 2.568 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc(C2CCC2)no1 651200445 409323846 /nfs/dbraw/zinc/32/38/46/409323846.db2.gz MJVWRPGEMGEMSZ-VXNVDRBHSA-N 0 0 192.262 2.851 10 0 AFAERN CC/C(C)=C\c1nc(C2(C)CC2)no1 651418182 409330134 /nfs/dbraw/zinc/33/01/34/409330134.db2.gz CVDPUJKLCQNLAZ-FPLPWBNLSA-N 0 0 192.262 2.934 10 0 AFAERN CC/C=C(\C)c1nc(C2(C)CC2)no1 651424055 409330229 /nfs/dbraw/zinc/33/02/29/409330229.db2.gz VXPWEQIMJXUAPA-VMPITWQZSA-N 0 0 192.262 2.934 10 0 AFAERN CCCCCc1nc(C2(C)CC2)no1 651424903 409330260 /nfs/dbraw/zinc/33/02/60/409330260.db2.gz ZATTVBRKJZMVJU-UHFFFAOYSA-N 0 0 194.278 2.854 10 0 AFAERN C/C=C/C=C\c1nc(C2(C)CC2)no1 651424459 409330282 /nfs/dbraw/zinc/33/02/82/409330282.db2.gz XCBAKRYWAQJNJF-ICWBMWKASA-N 0 0 190.246 2.710 10 0 AFAERN CC[C@@H](C)Cc1nc(C2(C)CC2)no1 651420223 409330632 /nfs/dbraw/zinc/33/06/32/409330632.db2.gz NUFRSCZZDNTZCM-MRVPVSSYSA-N 0 0 194.278 2.710 10 0 AFAERN CC(C)CCc1nc(C2(C)CC2)no1 651424452 409330664 /nfs/dbraw/zinc/33/06/64/409330664.db2.gz PFLZZSBOCFOKNL-UHFFFAOYSA-N 0 0 194.278 2.710 10 0 AFAERN CC[C@H](C)Cc1nc(C2(C)CC2)no1 651420224 409330805 /nfs/dbraw/zinc/33/08/05/409330805.db2.gz NUFRSCZZDNTZCM-QMMMGPOBSA-N 0 0 194.278 2.710 10 0 AFAERN CSc1nccn1-c1ccccc1 38584118 409342230 /nfs/dbraw/zinc/34/22/30/409342230.db2.gz PVZFEMJBEUHKHX-UHFFFAOYSA-N 0 0 190.271 2.594 10 0 AFAERN CCc1ccncc1NC1CCCC1 651979537 409342655 /nfs/dbraw/zinc/34/26/55/409342655.db2.gz YGDQTHSHFHWQTE-UHFFFAOYSA-N 0 0 190.290 2.999 10 0 AFAERN CCc1ccncc1NC[C@@H]1C[C@H]1C 651979187 409342764 /nfs/dbraw/zinc/34/27/64/409342764.db2.gz AVFYKEHJXJIPTF-KOLCDFICSA-N 0 0 190.290 2.712 10 0 AFAERN CCc1ccncc1NCC(C)C 651979570 409342826 /nfs/dbraw/zinc/34/28/26/409342826.db2.gz ZYKXKQMHZQARTL-UHFFFAOYSA-N 0 0 178.279 2.712 10 0 AFAERN CSc1cccnc1NCC1CC1 651971097 409343009 /nfs/dbraw/zinc/34/30/09/409343009.db2.gz VTMVCBIYOFJSAI-UHFFFAOYSA-N 0 0 194.303 2.625 10 0 AFAERN CCc1ccncc1NC1CC(C)C1 651979357 409343052 /nfs/dbraw/zinc/34/30/52/409343052.db2.gz LMQZQHFCELMNNV-UHFFFAOYSA-N 0 0 190.290 2.854 10 0 AFAERN CSc1cccnc1NC(C)C 651971427 409343116 /nfs/dbraw/zinc/34/31/16/409343116.db2.gz FEJGPNSKAHBESA-UHFFFAOYSA-N 0 0 182.292 2.624 10 0 AFAERN CCCC(C)(C)C(=O)N1[C@H](C)C[C@H]1C 651946902 409343155 /nfs/dbraw/zinc/34/31/55/409343155.db2.gz GXENQIMCIAFZQJ-NXEZZACHSA-N 0 0 197.322 2.822 10 0 AFAERN CCc1ccncc1NC[C@H]1C[C@@H]1C 651979186 409343163 /nfs/dbraw/zinc/34/31/63/409343163.db2.gz AVFYKEHJXJIPTF-GXSJLCMTSA-N 0 0 190.290 2.712 10 0 AFAERN CCc1ccncc1N[C@@H](C)C1CC1 651979204 409343232 /nfs/dbraw/zinc/34/32/32/409343232.db2.gz BTIWBPVHAQBFEK-VIFPVBQESA-N 0 0 190.290 2.854 10 0 AFAERN CCc1ccncc1NC[C@H]1C[C@H]1C 651979188 409343335 /nfs/dbraw/zinc/34/33/35/409343335.db2.gz AVFYKEHJXJIPTF-MWLCHTKSSA-N 0 0 190.290 2.712 10 0 AFAERN CSc1cccnc1NCC(C)C 651971751 409343422 /nfs/dbraw/zinc/34/34/22/409343422.db2.gz SWSPXWBEPLNIDS-UHFFFAOYSA-N 0 0 196.319 2.871 10 0 AFAERN CCCC(C)(C)C(=O)N1[C@@H](C)C[C@H]1C 651946901 409343558 /nfs/dbraw/zinc/34/35/58/409343558.db2.gz GXENQIMCIAFZQJ-AOOOYVTPSA-N 0 0 197.322 2.822 10 0 AFAERN CCc1ccncc1N[C@H](C)C1CC1 651979203 409343693 /nfs/dbraw/zinc/34/36/93/409343693.db2.gz BTIWBPVHAQBFEK-SECBINFHSA-N 0 0 190.290 2.854 10 0 AFAERN CCc1ccncc1NC[C@@H]1C[C@@H]1C 651979189 409343794 /nfs/dbraw/zinc/34/37/94/409343794.db2.gz AVFYKEHJXJIPTF-ONGXEEELSA-N 0 0 190.290 2.712 10 0 AFAERN CCCC(C)(C)C(=O)N1[C@@H](C)C[C@@H]1C 651946903 409343861 /nfs/dbraw/zinc/34/38/61/409343861.db2.gz GXENQIMCIAFZQJ-UWVGGRQHSA-N 0 0 197.322 2.822 10 0 AFAERN CCCC(C)(C)C(=O)N[C@H]1CC[C@H]1C 652142290 409350186 /nfs/dbraw/zinc/35/01/86/409350186.db2.gz NERIVUWACIXHRJ-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC(C)(C)C(=O)N[C@@H]1CC[C@@H]1C 652142289 409350562 /nfs/dbraw/zinc/35/05/62/409350562.db2.gz NERIVUWACIXHRJ-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC(C)(C)C(=O)N[C@@H]1CC[C@H]1C 652142287 409350819 /nfs/dbraw/zinc/35/08/19/409350819.db2.gz NERIVUWACIXHRJ-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC(C)(C)C(=O)N[C@H]1CC[C@@H]1C 652142288 409351172 /nfs/dbraw/zinc/35/11/72/409351172.db2.gz NERIVUWACIXHRJ-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC(C)(C)C(=O)N1C[C@@H](C)[C@H]1C 652364885 409354647 /nfs/dbraw/zinc/35/46/47/409354647.db2.gz MORARULBUDPOTA-NXEZZACHSA-N 0 0 197.322 2.680 10 0 AFAERN CCCC(C)(C)C(=O)N1C[C@@H](C)[C@@H]1C 652364888 409354836 /nfs/dbraw/zinc/35/48/36/409354836.db2.gz MORARULBUDPOTA-ZJUUUORDSA-N 0 0 197.322 2.680 10 0 AFAERN CCCC(C)(C)C(=O)N1C[C@H](C)[C@H]1C 652364887 409355347 /nfs/dbraw/zinc/35/53/47/409355347.db2.gz MORARULBUDPOTA-VHSXEESVSA-N 0 0 197.322 2.680 10 0 AFAERN CCCC(C)(C)C(=O)N1C[C@H](C)[C@@H]1C 652364886 409355792 /nfs/dbraw/zinc/35/57/92/409355792.db2.gz MORARULBUDPOTA-UWVGGRQHSA-N 0 0 197.322 2.680 10 0 AFAERN c1ccc2c(c1)CSc1c[nH]nc1-2 44676032 409356657 /nfs/dbraw/zinc/35/66/57/409356657.db2.gz ZMQWVBSHCIEKCA-UHFFFAOYSA-N 0 0 188.255 2.682 10 0 AFAERN CC(C)CC(=O)N1CCC12CCCC2 652584099 409357483 /nfs/dbraw/zinc/35/74/83/409357483.db2.gz CMACKVJXPRHRRF-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CCCCC(=O)N1CCC12CCCC2 652581380 409357696 /nfs/dbraw/zinc/35/76/96/409357696.db2.gz YWIFLMNORMTERW-UHFFFAOYSA-N 0 0 195.306 2.722 10 0 AFAERN CC[C@@H](C)C(=O)N1CCC12CCCC2 652580472 409357800 /nfs/dbraw/zinc/35/78/00/409357800.db2.gz QBBDYZUUBPIGOF-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@H](C)C(=O)N1CCC12CCCC2 652580471 409358055 /nfs/dbraw/zinc/35/80/55/409358055.db2.gz QBBDYZUUBPIGOF-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CC1(C)C[C@H]1Nc1ccc(Cl)cn1 45135712 409364872 /nfs/dbraw/zinc/36/48/72/409364872.db2.gz SYBWCIOTJKMGON-MRVPVSSYSA-N 0 0 196.681 2.945 10 0 AFAERN COCCCCN(C)c1ccsc1 653468017 409369960 /nfs/dbraw/zinc/36/99/60/409369960.db2.gz GNTYTJIKOCXGML-UHFFFAOYSA-N 0 0 199.319 2.611 10 0 AFAERN CC[C@@H](Nc1ccccn1)C(C)C 49131198 409372083 /nfs/dbraw/zinc/37/20/83/409372083.db2.gz OFVPNGHWQFOMJT-SNVBAGLBSA-N 0 0 178.279 2.928 10 0 AFAERN C=C/C(C)=C/CC(=O)NC/C=C/CC 653786246 409376698 /nfs/dbraw/zinc/37/66/98/409376698.db2.gz HTCBPZROCVMVLN-HRCSPUOPSA-N 0 0 193.290 2.591 10 0 AFAERN C=C/C(C)=C\CC(=O)NC/C=C/CC 653786248 409376940 /nfs/dbraw/zinc/37/69/40/409376940.db2.gz HTCBPZROCVMVLN-VEQVDCDKSA-N 0 0 193.290 2.591 10 0 AFAERN C=C/C(C)=C/CC(=O)NC/C=C\CC 653786245 409377538 /nfs/dbraw/zinc/37/75/38/409377538.db2.gz HTCBPZROCVMVLN-BQGCWICQSA-N 0 0 193.290 2.591 10 0 AFAERN CC/C=C/CNC(=O)C1(C)CCCC1 653786585 409378344 /nfs/dbraw/zinc/37/83/44/409378344.db2.gz FAJIXLZZUKLIPZ-QPJJXVBHSA-N 0 0 195.306 2.649 10 0 AFAERN C=C/C(C)=C\CC(=O)NC/C=C\CC 653786247 409378420 /nfs/dbraw/zinc/37/84/20/409378420.db2.gz HTCBPZROCVMVLN-NJMVCRMVSA-N 0 0 193.290 2.591 10 0 AFAERN CC/C=C\CNC(=O)C1(C)CCCC1 653786584 409378526 /nfs/dbraw/zinc/37/85/26/409378526.db2.gz FAJIXLZZUKLIPZ-DAXSKMNVSA-N 0 0 195.306 2.649 10 0 AFAERN CC[C@H](C)C(=O)NC(C)(C)C1CCC1 653830056 409379437 /nfs/dbraw/zinc/37/94/37/409379437.db2.gz SKLLHGMMMHCOMZ-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H](C)C(=O)NC(C)(C)C1CCC1 653830055 409380733 /nfs/dbraw/zinc/38/07/33/409380733.db2.gz SKLLHGMMMHCOMZ-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CC(=O)NC(C)(C)C1CCC1 653828963 409380817 /nfs/dbraw/zinc/38/08/17/409380817.db2.gz YBHIVAZWLVVURG-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCC(=O)NC(C)(C)C1CCC1 653830071 409381103 /nfs/dbraw/zinc/38/11/03/409381103.db2.gz ZVBLNLGZSKPPAD-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CCCN(C(=O)[C@@H]1C[C@H]1CC)C(C)C 654042631 409385886 /nfs/dbraw/zinc/38/58/86/409385886.db2.gz HSOQKQUCLRMEHX-GHMZBOCLSA-N 0 0 197.322 2.680 10 0 AFAERN CCCN(C(=O)CC1CCC1)C(C)C 654041698 409385937 /nfs/dbraw/zinc/38/59/37/409385937.db2.gz COSSBFMOZBLBDZ-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCC(=O)NC1(C2(C)CC2)CC1 654217192 409387076 /nfs/dbraw/zinc/38/70/76/409387076.db2.gz ARWPGFAXTNGADF-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CCC1CN(C(=O)C(C)(CC)CC)C1 654697214 409393035 /nfs/dbraw/zinc/39/30/35/409393035.db2.gz DDKFQAHCPFGNQP-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN C[C@@H](CC(C)(C)C)NC(=O)[C@H]1C[C@@H]1C 654648731 409394079 /nfs/dbraw/zinc/39/40/79/409394079.db2.gz QPKLTGLBXUJDPM-GUBZILKMSA-N 0 0 197.322 2.583 10 0 AFAERN CCC1CN(C(=O)[C@@H](C)CC(C)C)C1 654697207 409393379 /nfs/dbraw/zinc/39/33/79/409393379.db2.gz AQYDYCNCLIBAFD-JTQLQIEISA-N 0 0 197.322 2.537 10 0 AFAERN CCCCC(=O)N1CC(C(C)(C)C)C1 654721901 409393703 /nfs/dbraw/zinc/39/37/03/409393703.db2.gz VEETZVWISGFGHF-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCC[C@H](C)CC(=O)N1CC(CC)C1 654699137 409393790 /nfs/dbraw/zinc/39/37/90/409393790.db2.gz HKSPPGLIUVAFRI-JTQLQIEISA-N 0 0 197.322 2.681 10 0 AFAERN CCC1CN(C(=O)[C@H](C)CC(C)C)C1 654697208 409394050 /nfs/dbraw/zinc/39/40/50/409394050.db2.gz AQYDYCNCLIBAFD-SNVBAGLBSA-N 0 0 197.322 2.537 10 0 AFAERN CCC[C@@H](C)CC(=O)N1CC(CC)C1 654699138 409394072 /nfs/dbraw/zinc/39/40/72/409394072.db2.gz HKSPPGLIUVAFRI-SNVBAGLBSA-N 0 0 197.322 2.681 10 0 AFAERN CCC1CN(C(=O)CC(C)(C)CC)C1 654697990 409394180 /nfs/dbraw/zinc/39/41/80/409394180.db2.gz AGCYIBUFTRORPN-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN C[C@@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]1C 654648993 409394218 /nfs/dbraw/zinc/39/42/18/409394218.db2.gz QPKLTGLBXUJDPM-KXUCPTDWSA-N 0 0 197.322 2.583 10 0 AFAERN CCC1CN(C(=O)CCCC(C)C)C1 654695965 409394297 /nfs/dbraw/zinc/39/42/97/409394297.db2.gz AXWTVQWJBZUVDO-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)CCCCC(=O)N1CCCC1 654837637 409395175 /nfs/dbraw/zinc/39/51/75/409395175.db2.gz DPEYOBXEZBDACF-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CCCNC(=O)C1CC(C(C)(C)C)C1 654840572 409396342 /nfs/dbraw/zinc/39/63/42/409396342.db2.gz VHDSFWOAJPVHAB-UHFFFAOYSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)CCCCC(=O)N[C@@H]1C[C@H]1C 654939998 409400401 /nfs/dbraw/zinc/40/04/01/409400401.db2.gz VLDVZXBGNSWYQK-GHMZBOCLSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CCCCC(=O)N1CC(C)C1 655063359 409402179 /nfs/dbraw/zinc/40/21/79/409402179.db2.gz OMWDJHCPASGQFO-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC(=O)N1CCC[C@H]1CC1CCCC1 655365703 409406620 /nfs/dbraw/zinc/40/66/20/409406620.db2.gz KBTMGVAVHGVRKN-LBPRGKRZSA-N 0 0 195.306 2.578 10 0 AFAERN CC(=O)N1CCC[C@@H]1CC1CCCC1 655365702 409406652 /nfs/dbraw/zinc/40/66/52/409406652.db2.gz KBTMGVAVHGVRKN-GFCCVEGCSA-N 0 0 195.306 2.578 10 0 AFAERN CCCC(=O)NC1(C2CCC2)CCC1 655372077 409406736 /nfs/dbraw/zinc/40/67/36/409406736.db2.gz BDMFFKUYTPTTFO-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN c1cn(CCC2CCCCCC2)nn1 655503742 409413546 /nfs/dbraw/zinc/41/35/46/409413546.db2.gz HXQHLRJGHSLBKU-UHFFFAOYSA-N 0 0 193.294 2.639 10 0 AFAERN CCCCOc1cccn2ccnc12 655683237 409414457 /nfs/dbraw/zinc/41/44/57/409414457.db2.gz AQFGMKJENQLGGV-UHFFFAOYSA-N 0 0 190.246 2.513 10 0 AFAERN FCCCCn1cc(C2CCC2)cn1 655689338 409415798 /nfs/dbraw/zinc/41/57/98/409415798.db2.gz AMZQHCFSZJAPKA-UHFFFAOYSA-N 0 0 196.269 2.900 10 0 AFAERN CCc1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 656045880 409420007 /nfs/dbraw/zinc/42/00/07/409420007.db2.gz ZCDKZAXUFPXLME-DJLDLDEBSA-N 0 0 192.262 2.536 10 0 AFAERN CCc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 656045881 409420104 /nfs/dbraw/zinc/42/01/04/409420104.db2.gz ZCDKZAXUFPXLME-HLTSFMKQSA-N 0 0 192.262 2.536 10 0 AFAERN CCCC(=O)N[C@@H](C)c1ccc(C)o1 70224325 409421202 /nfs/dbraw/zinc/42/12/02/409421202.db2.gz VALCEDAXUSYZNB-VIFPVBQESA-N 0 0 195.262 2.565 10 0 AFAERN CCCC(=O)N[C@H](C)c1ccc(C)o1 70224327 409421917 /nfs/dbraw/zinc/42/19/17/409421917.db2.gz VALCEDAXUSYZNB-SECBINFHSA-N 0 0 195.262 2.565 10 0 AFAERN C[C@@H]1C[C@H]1c1noc(/C=C/C2CC2)n1 656189455 409422139 /nfs/dbraw/zinc/42/21/39/409422139.db2.gz BKGJDGGYTHHGOI-JSRGBMGHSA-N 0 0 190.246 2.616 10 0 AFAERN C[C@@H]1C[C@@H]1c1noc(/C=C/C2CC2)n1 656189454 409422359 /nfs/dbraw/zinc/42/23/59/409422359.db2.gz BKGJDGGYTHHGOI-HZMPTLLJSA-N 0 0 190.246 2.616 10 0 AFAERN C[C@@H]1C[C@@H]1c1noc(/C=C\C2CC2)n1 656189457 409422817 /nfs/dbraw/zinc/42/28/17/409422817.db2.gz BKGJDGGYTHHGOI-NRTJZSHXSA-N 0 0 190.246 2.616 10 0 AFAERN C[C@@H]1C[C@H]1c1noc(/C=C\C2CC2)n1 656189456 409422865 /nfs/dbraw/zinc/42/28/65/409422865.db2.gz BKGJDGGYTHHGOI-LEZDYHIDSA-N 0 0 190.246 2.616 10 0 AFAERN CC(C)(C)C(=O)NCCC1CCCC1 70225674 409423370 /nfs/dbraw/zinc/42/33/70/409423370.db2.gz IXJZYADZXZAPGD-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCCCCN(C(=O)C1CC1)C(C)C 70226220 409423762 /nfs/dbraw/zinc/42/37/62/409423762.db2.gz GECVHMDLSWIKGY-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CCCC(=O)NC1CCC(CC)CC1 70225812 409423768 /nfs/dbraw/zinc/42/37/68/409423768.db2.gz UJUVLWSMXPYUDM-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CC(C)n1cc(C2CCCCC2)nn1 656440352 409431324 /nfs/dbraw/zinc/43/13/24/409431324.db2.gz SHWCBTPYWPXMLV-UHFFFAOYSA-N 0 0 193.294 2.907 10 0 AFAERN c1c(C2CCCCC2)nnn1C1CC1 656455994 409434007 /nfs/dbraw/zinc/43/40/07/409434007.db2.gz SGLFCOXYFRKGDX-UHFFFAOYSA-N 0 0 191.278 2.661 10 0 AFAERN CCc1nc(COC(C)C)sc1C 656476028 409435682 /nfs/dbraw/zinc/43/56/82/409435682.db2.gz ACSGDYJEKBLDTJ-UHFFFAOYSA-N 0 0 199.319 2.939 10 0 AFAERN CC(C)Nc1ccc2c(c1)CCOC2 656665893 409445038 /nfs/dbraw/zinc/44/50/38/409445038.db2.gz MKHMJICVQQJFHU-UHFFFAOYSA-N 0 0 191.274 2.580 10 0 AFAERN CCc1cccc(N(C)CCF)c1 656673485 409445486 /nfs/dbraw/zinc/44/54/86/409445486.db2.gz GGZXPLOKQVZUQQ-UHFFFAOYSA-N 0 0 181.254 2.655 10 0 AFAERN CCC(C)(C)CCNc1ccn(C)n1 656646675 409445975 /nfs/dbraw/zinc/44/59/75/409445975.db2.gz KPBTYKFESIRFJW-UHFFFAOYSA-N 0 0 195.310 2.658 10 0 AFAERN c1ccc(-c2nc3cc[nH]cc-3n2)cc1 101332067 409447723 /nfs/dbraw/zinc/44/77/23/409447723.db2.gz QCCOXRFIKMEZOQ-UHFFFAOYSA-N 0 0 195.225 2.577 10 0 AFAERN CC1(C)CC[C@@H]1c1nc(C2CC2)no1 656745095 409448287 /nfs/dbraw/zinc/44/82/87/409448287.db2.gz QGXBSDGCHDPFTO-MRVPVSSYSA-N 0 0 192.262 2.851 10 0 AFAERN CC1=CC[C@@](C)(c2nc(C)no2)CC1 656749671 409448425 /nfs/dbraw/zinc/44/84/25/409448425.db2.gz RMYRJCXOMBSFRF-LLVKDONJSA-N 0 0 192.262 2.766 10 0 AFAERN CC1=CC[C@](C)(c2nc(C)no2)CC1 656749674 409448686 /nfs/dbraw/zinc/44/86/86/409448686.db2.gz RMYRJCXOMBSFRF-NSHDSACASA-N 0 0 192.262 2.766 10 0 AFAERN CC1(C)CC[C@H]1c1nc(C2CC2)no1 656745096 409448845 /nfs/dbraw/zinc/44/88/45/409448845.db2.gz QGXBSDGCHDPFTO-QMMMGPOBSA-N 0 0 192.262 2.851 10 0 AFAERN CC(=O)N1CCCC2(CCCC2)CC1 657073429 409457387 /nfs/dbraw/zinc/45/73/87/409457387.db2.gz PCQLFWRYKPITJM-UHFFFAOYSA-N 0 0 195.306 2.579 10 0 AFAERN CCC(=O)NCC1C[C@H](C)C[C@@H](C)C1 657088010 409457502 /nfs/dbraw/zinc/45/75/02/409457502.db2.gz YQMPVWLACJVNQG-NXEZZACHSA-N 0 0 197.322 2.585 10 0 AFAERN CC(=O)NC[C@]1(C)CC[C@H](C)C1(C)C 657082135 409457577 /nfs/dbraw/zinc/45/75/77/409457577.db2.gz KGGZQSRJRVMYAI-CABZTGNLSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(=O)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1 657088011 409457696 /nfs/dbraw/zinc/45/76/96/409457696.db2.gz YQMPVWLACJVNQG-URLYPYJESA-N 0 0 197.322 2.585 10 0 AFAERN CCC(=O)NCC1C[C@@H](C)C[C@H](C)C1 657088012 409457736 /nfs/dbraw/zinc/45/77/36/409457736.db2.gz YQMPVWLACJVNQG-UWVGGRQHSA-N 0 0 197.322 2.585 10 0 AFAERN COC1CC(Sc2ccccc2)C1 657226849 409458810 /nfs/dbraw/zinc/45/88/10/409458810.db2.gz AEOUYCGPWCDBKP-UHFFFAOYSA-N 0 0 194.299 2.956 10 0 AFAERN CCC(C)(C)CCn1nc(C)nc1C 657242718 409460481 /nfs/dbraw/zinc/46/04/81/409460481.db2.gz FSJXZNCICMAZAG-UHFFFAOYSA-N 0 0 195.310 2.721 10 0 AFAERN CC(C)=CCCn1c(C)csc1=O 657247663 409460661 /nfs/dbraw/zinc/46/06/61/409460661.db2.gz GSZQLQAHDKXLGH-UHFFFAOYSA-N 0 0 197.303 2.575 10 0 AFAERN CC(C)=CCCSc1nccn1C 657227226 409460719 /nfs/dbraw/zinc/46/07/19/409460719.db2.gz DJBJJOBHECXPRM-UHFFFAOYSA-N 0 0 196.319 2.869 10 0 AFAERN CC(C)=CCCn1cnc(C)c1C 657254971 409462170 /nfs/dbraw/zinc/46/21/70/409462170.db2.gz GGSMPGQLGOAVLX-UHFFFAOYSA-N 0 0 178.279 2.856 10 0 AFAERN c1cnnc(SCCC2CCC2)c1 657254797 409462809 /nfs/dbraw/zinc/46/28/09/409462809.db2.gz INZDYGYENRCKNW-UHFFFAOYSA-N 0 0 194.303 2.759 10 0 AFAERN CC(C)=CCCSc1cccnn1 657255991 409462889 /nfs/dbraw/zinc/46/28/89/409462889.db2.gz YMWJUAZEJBVWLL-UHFFFAOYSA-N 0 0 194.303 2.925 10 0 AFAERN C1=CCC(CSc2cccnn2)C1 657254848 409463111 /nfs/dbraw/zinc/46/31/11/409463111.db2.gz IZYUHQNDYLBSBC-UHFFFAOYSA-N 0 0 192.287 2.535 10 0 AFAERN CCCCCn1cc(C2CC2)cn1 114365204 409463809 /nfs/dbraw/zinc/46/38/09/409463809.db2.gz DHEHFDVARVDDMQ-UHFFFAOYSA-N 0 0 178.279 2.951 10 0 AFAERN CC[C@@H]1C[C@@H](Nc2ccccc2)CO1 657319481 409469563 /nfs/dbraw/zinc/46/95/63/409469563.db2.gz GJRFVPWGOQPYAV-VXGBXAGGSA-N 0 0 191.274 2.666 10 0 AFAERN CC[C@@H]1C[C@H](Nc2ccccc2)CO1 657319479 409469800 /nfs/dbraw/zinc/46/98/00/409469800.db2.gz GJRFVPWGOQPYAV-NWDGAFQWSA-N 0 0 191.274 2.666 10 0 AFAERN CC[C@H]1C[C@@H](Nc2ccccc2)CO1 657319478 409469983 /nfs/dbraw/zinc/46/99/83/409469983.db2.gz GJRFVPWGOQPYAV-NEPJUHHUSA-N 0 0 191.274 2.666 10 0 AFAERN CC[C@H]1C[C@H](Nc2ccccc2)CO1 657319480 409470128 /nfs/dbraw/zinc/47/01/28/409470128.db2.gz GJRFVPWGOQPYAV-RYUDHWBXSA-N 0 0 191.274 2.666 10 0 AFAERN C[C@@H](NC(=O)C(C)(C)C)C(C)(C)C 132639207 409489654 /nfs/dbraw/zinc/48/96/54/409489654.db2.gz HJYCENVDRIAWGF-MRVPVSSYSA-N 0 0 185.311 2.583 10 0 AFAERN Cc1nccc(N[C@H](C)C(C)(C)C)n1 133142970 409495339 /nfs/dbraw/zinc/49/53/39/409495339.db2.gz YGRVQYMPWWMSDZ-MRVPVSSYSA-N 0 0 193.294 2.632 10 0 AFAERN Cc1cnc(N[C@H](C)C(C)(C)C)nc1 133788670 409498724 /nfs/dbraw/zinc/49/87/24/409498724.db2.gz ZEMUOJFPBQGZOG-SECBINFHSA-N 0 0 193.294 2.632 10 0 AFAERN c1coc(C[NH2+][C@@H]2CCCC23CC3)c1 657819295 409499172 /nfs/dbraw/zinc/49/91/72/409499172.db2.gz WUYCVMZDAXNORE-LLVKDONJSA-N 0 0 191.274 2.702 10 0 AFAERN c1coc(C[NH2+][C@H]2CCCC23CC3)c1 657819299 409500079 /nfs/dbraw/zinc/50/00/79/409500079.db2.gz WUYCVMZDAXNORE-NSHDSACASA-N 0 0 191.274 2.702 10 0 AFAERN c1ccc(N[C@@H]2CCCC23CC3)nc1 657940861 409502088 /nfs/dbraw/zinc/50/20/88/409502088.db2.gz VDIMGSMCRAOGLN-SNVBAGLBSA-N 0 0 188.274 2.826 10 0 AFAERN c1ccc(N[C@H]2CCCC23CC3)nc1 657940860 409502144 /nfs/dbraw/zinc/50/21/44/409502144.db2.gz VDIMGSMCRAOGLN-JTQLQIEISA-N 0 0 188.274 2.826 10 0 AFAERN CC1(C)Cc2ccc(C=O)cc2C1 196436442 409506890 /nfs/dbraw/zinc/50/68/90/409506890.db2.gz PXGHIYKXPXRULP-UHFFFAOYSA-N 0 0 174.243 2.624 10 0 AFAERN CC(C)[NH2+]CC(F)(F)C(C)(C)C 658336433 409517449 /nfs/dbraw/zinc/51/74/49/409517449.db2.gz FDQJSDXJCRYKPR-UHFFFAOYSA-N 0 0 179.254 2.666 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)N(C(C)C)C(C)C 659141190 409525765 /nfs/dbraw/zinc/52/57/65/409525765.db2.gz FVLDHWKNEHWLMB-GHMZBOCLSA-N 0 0 197.322 2.678 10 0 AFAERN CCCCC[C@@H]1CCCCN1C(C)=O 659786261 409538440 /nfs/dbraw/zinc/53/84/40/409538440.db2.gz UFEIZAYQMCSDGS-GFCCVEGCSA-N 0 0 197.322 2.968 10 0 AFAERN CC(=O)N1CCCC[C@H]1CC1CCC1 659784786 409538736 /nfs/dbraw/zinc/53/87/36/409538736.db2.gz GHYLAPKOPJQLTN-LBPRGKRZSA-N 0 0 195.306 2.578 10 0 AFAERN CCCCC[C@H]1CCCCN1C(C)=O 659786262 409538792 /nfs/dbraw/zinc/53/87/92/409538792.db2.gz UFEIZAYQMCSDGS-LBPRGKRZSA-N 0 0 197.322 2.968 10 0 AFAERN CCC(CC)CCCN(C)C(C)=O 659786019 409539640 /nfs/dbraw/zinc/53/96/40/409539640.db2.gz RKTIIRSOOVXRJX-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN CC(=O)N1CCCC[C@@H]1CC1CCC1 659784785 409539990 /nfs/dbraw/zinc/53/99/90/409539990.db2.gz GHYLAPKOPJQLTN-GFCCVEGCSA-N 0 0 195.306 2.578 10 0 AFAERN CCCCN(C)Cc1nc(C)oc1C 659812610 409545404 /nfs/dbraw/zinc/54/54/04/409545404.db2.gz BPYRGDBEPFAWQG-UHFFFAOYSA-N 0 0 196.294 2.523 10 0 AFAERN c1ccc(NC[C@@H]2C[C@H]2C2CC2)nc1 306312836 409558197 /nfs/dbraw/zinc/55/81/97/409558197.db2.gz OCPSUXQFELUQBI-QWRGUYRKSA-N 0 0 188.274 2.540 10 0 AFAERN CC(C)=CCCN(C)CC(F)(F)F 659919161 409563100 /nfs/dbraw/zinc/56/31/00/409563100.db2.gz CYFKWONHTNNQSQ-UHFFFAOYSA-N 0 0 195.228 2.837 10 0 AFAERN Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C 306385603 409564409 /nfs/dbraw/zinc/56/44/09/409564409.db2.gz BOTOCQWHCVQXQX-GARJFASQSA-N 0 0 193.290 2.722 10 0 AFAERN Cc1ccc(-c2cscn2)o1 306404580 409564612 /nfs/dbraw/zinc/56/46/12/409564612.db2.gz IGCXXBCLYNZEPV-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN Cc1ncn(C[C@H]2C[C@@H]3C[C@@H]3C2)c1C 659927187 409564932 /nfs/dbraw/zinc/56/49/32/409564932.db2.gz ZUKYWEFBGINLDT-ZSBIGDGJSA-N 0 0 190.290 2.546 10 0 AFAERN Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C 306385606 409565106 /nfs/dbraw/zinc/56/51/06/409565106.db2.gz BOTOCQWHCVQXQX-GMTAPVOTSA-N 0 0 193.290 2.722 10 0 AFAERN Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)[C@H]1C 306385608 409565951 /nfs/dbraw/zinc/56/59/51/409565951.db2.gz BOTOCQWHCVQXQX-HBNTYKKESA-N 0 0 193.290 2.722 10 0 AFAERN Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 306385609 409566250 /nfs/dbraw/zinc/56/62/50/409566250.db2.gz BOTOCQWHCVQXQX-OUAUKWLOSA-N 0 0 193.290 2.722 10 0 AFAERN CCC(=O)NC[C@@H](C)C1CCCCC1 660080013 409579404 /nfs/dbraw/zinc/57/94/04/409579404.db2.gz DUYIEGRTMDYOBB-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CCC(=O)NC[C@H](C)C1CCCCC1 660080012 409579531 /nfs/dbraw/zinc/57/95/31/409579531.db2.gz DUYIEGRTMDYOBB-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)C(=O)NCC1CCCCCC1 306738248 409587968 /nfs/dbraw/zinc/58/79/68/409587968.db2.gz IKZHUMIPFZJHLX-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)=CCN1CC[C@@H]1C(F)(F)F 660569366 409604241 /nfs/dbraw/zinc/60/42/41/409604241.db2.gz FWUQCRGJCUPTON-MRVPVSSYSA-N 0 0 193.212 2.589 10 0 AFAERN CC(C)=CCN1CC[C@H]1C(F)(F)F 660569367 409605263 /nfs/dbraw/zinc/60/52/63/409605263.db2.gz FWUQCRGJCUPTON-QMMMGPOBSA-N 0 0 193.212 2.589 10 0 AFAERN Cc1cnccc1-c1cscn1 307086224 409612372 /nfs/dbraw/zinc/61/23/72/409612372.db2.gz YKSREVZLLBWMCM-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN CC/C=C/CNc1cccc(C)n1 307102441 409617106 /nfs/dbraw/zinc/61/71/06/409617106.db2.gz IEDJOGOOWBLBEC-SNAWJCMRSA-N 0 0 176.263 2.768 10 0 AFAERN CCSCCCOC(C)C 307103587 409617797 /nfs/dbraw/zinc/61/77/97/409617797.db2.gz ANWRNRIINLQTNC-UHFFFAOYSA-N 0 0 162.298 2.555 10 0 AFAERN CC(C)[C@H](C)N1CCCC(F)(F)C1 660912344 409625707 /nfs/dbraw/zinc/62/57/07/409625707.db2.gz MXHFXVNWGBYJLT-VIFPVBQESA-N 0 0 191.265 2.762 10 0 AFAERN CC(C)[C@@H](C)N1CCCC(F)(F)C1 660912342 409625778 /nfs/dbraw/zinc/62/57/78/409625778.db2.gz MXHFXVNWGBYJLT-SECBINFHSA-N 0 0 191.265 2.762 10 0 AFAERN CC/C=C/CNc1ncncc1Cl 307215667 409626503 /nfs/dbraw/zinc/62/65/03/409626503.db2.gz BGAALKKLFKKNFV-ONEGZZNKSA-N 0 0 197.669 2.508 10 0 AFAERN CC(=O)c1ccsc1NCC1CC1 307326326 409636255 /nfs/dbraw/zinc/63/62/55/409636255.db2.gz NAAWFEOJPZBJAM-UHFFFAOYSA-N 0 0 195.287 2.773 10 0 AFAERN CCCC1(C(=O)N2CC[C@@H]2CC)CC1 661256636 409636345 /nfs/dbraw/zinc/63/63/45/409636345.db2.gz JXAUSRZVVLZSJT-JTQLQIEISA-N 0 0 195.306 2.578 10 0 AFAERN CCCC1(C(=O)N2CC[C@H]2CC)CC1 661256637 409636983 /nfs/dbraw/zinc/63/69/83/409636983.db2.gz JXAUSRZVVLZSJT-SNVBAGLBSA-N 0 0 195.306 2.578 10 0 AFAERN CC[C@H]1CCN1C(=O)C(C)(CC)CC 661256666 409638043 /nfs/dbraw/zinc/63/80/43/409638043.db2.gz UFXLXGJOMDDSCB-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@@H]1CCN1C(=O)C(C)(CC)CC 661256667 409638211 /nfs/dbraw/zinc/63/82/11/409638211.db2.gz UFXLXGJOMDDSCB-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN C[C@H]1CC[C@H](Sc2cnccn2)C1 307406885 409640723 /nfs/dbraw/zinc/64/07/23/409640723.db2.gz DEZGXNQBOABSMY-IUCAKERBSA-N 0 0 194.303 2.757 10 0 AFAERN C[C@@H]1CC[C@H](Sc2cnccn2)C1 307406860 409641049 /nfs/dbraw/zinc/64/10/49/409641049.db2.gz DEZGXNQBOABSMY-BDAKNGLRSA-N 0 0 194.303 2.757 10 0 AFAERN C[C@H]1CC[C@@H](Sc2cnccn2)C1 307406872 409641374 /nfs/dbraw/zinc/64/13/74/409641374.db2.gz DEZGXNQBOABSMY-DTWKUNHWSA-N 0 0 194.303 2.757 10 0 AFAERN C[C@@H]1CC[C@@H](Sc2cnccn2)C1 307406892 409641531 /nfs/dbraw/zinc/64/15/31/409641531.db2.gz DEZGXNQBOABSMY-RKDXNWHRSA-N 0 0 194.303 2.757 10 0 AFAERN CC(C)NC(=O)C(C)(C)C(C)(C)C 307440448 409644565 /nfs/dbraw/zinc/64/45/65/409644565.db2.gz YMDRVEABTHWWKY-UHFFFAOYSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)[C@@H](C)n1cnc2c1CCCC2 307435578 409643898 /nfs/dbraw/zinc/64/38/98/409643898.db2.gz ODAIJIYXEQOALW-SNVBAGLBSA-N 0 0 192.306 2.979 10 0 AFAERN CC(C)[C@H](C)n1cnc2c1CCCC2 307435576 409646079 /nfs/dbraw/zinc/64/60/79/409646079.db2.gz ODAIJIYXEQOALW-JTQLQIEISA-N 0 0 192.306 2.979 10 0 AFAERN C[C@@H]1C[C@H](N[C@H](C)C(F)(F)F)[C@@H]1C 307749677 409669102 /nfs/dbraw/zinc/66/91/02/409669102.db2.gz HNUKYGGJRKWAJE-XUTVFYLZSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@@H]1[C@@H](N[C@H](C)C(F)(F)F)C[C@H]1C 307749674 409670000 /nfs/dbraw/zinc/67/00/00/409670000.db2.gz HNUKYGGJRKWAJE-CWKFCGSDSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@H](N[C@H]1C[C@@H](C)[C@H]1C)C(F)(F)F 307749676 409670328 /nfs/dbraw/zinc/67/03/28/409670328.db2.gz HNUKYGGJRKWAJE-NGJRWZKOSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@@H]1[C@@H](N[C@@H](C)C(F)(F)F)C[C@H]1C 307749675 409670849 /nfs/dbraw/zinc/67/08/49/409670849.db2.gz HNUKYGGJRKWAJE-KVPKETBZSA-N 0 0 195.228 2.571 10 0 AFAERN C[C@H](CC(C)(C)C)NC(=O)C1=CCC1 662087406 409690285 /nfs/dbraw/zinc/69/02/85/409690285.db2.gz IUAMUSAMBGTPQN-SECBINFHSA-N 0 0 195.306 2.648 10 0 AFAERN C[C@@H](CC(C)(C)C)NC(=O)C1=CCC1 662087407 409690953 /nfs/dbraw/zinc/69/09/53/409690953.db2.gz IUAMUSAMBGTPQN-VIFPVBQESA-N 0 0 195.306 2.648 10 0 AFAERN CCCCC(=O)N[C@H](C)C(C)(C)C 308237209 409703903 /nfs/dbraw/zinc/70/39/03/409703903.db2.gz RGAZLROCYKYDOX-SECBINFHSA-N 0 0 185.311 2.727 10 0 AFAERN CC[C@H](C)C(=O)N[C@H](C)C(C)(C)C 308313813 409710332 /nfs/dbraw/zinc/71/03/32/409710332.db2.gz TWIROIYVPIAHGO-DTWKUNHWSA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@@H](C)C(=O)N[C@H](C)C(C)(C)C 308313821 409712168 /nfs/dbraw/zinc/71/21/68/409712168.db2.gz TWIROIYVPIAHGO-RKDXNWHRSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)CNC(=O)C(C)(C)C(C)(C)C 308514505 409730343 /nfs/dbraw/zinc/73/03/43/409730343.db2.gz MGTJFWLYJLUCTK-UHFFFAOYSA-N 0 0 199.338 2.831 10 0 AFAERN CC[C@H](C)NC(=O)C(C)(C)C(C)(C)C 308523466 409733895 /nfs/dbraw/zinc/73/38/95/409733895.db2.gz VRSFTVAFPQCTPC-VIFPVBQESA-N 0 0 199.338 2.973 10 0 AFAERN CC[C@@H](C)NC(=O)C(C)(C)C(C)(C)C 308523465 409734195 /nfs/dbraw/zinc/73/41/95/409734195.db2.gz VRSFTVAFPQCTPC-SECBINFHSA-N 0 0 199.338 2.973 10 0 AFAERN COC(C)(C)c1nc(C)c(C)s1 663219840 409772156 /nfs/dbraw/zinc/77/21/56/409772156.db2.gz TXQCMARLPIDTPC-UHFFFAOYSA-N 0 0 185.292 2.641 10 0 AFAERN Cc1nc(COC(C)C)sc1C 663220682 409772364 /nfs/dbraw/zinc/77/23/64/409772364.db2.gz ULDVXWBWKAIWEX-UHFFFAOYSA-N 0 0 185.292 2.685 10 0 AFAERN Clc1cnn(C[C@H]2C[C@@H]3C[C@@H]3C2)c1 663244111 409774691 /nfs/dbraw/zinc/77/46/91/409774691.db2.gz XTQUPRHNYPUBHV-AYMMMOKOSA-N 0 0 196.681 2.583 10 0 AFAERN c1coc(SC[C@H]2C[C@@H]3C[C@@H]3C2)n1 663244634 409774945 /nfs/dbraw/zinc/77/49/45/409774945.db2.gz FKUQXSZUEXYGRH-AYMMMOKOSA-N 0 0 195.287 2.813 10 0 AFAERN c1c[nH]c(SC[C@H]2C[C@@H]3C[C@@H]3C2)n1 663242896 409774972 /nfs/dbraw/zinc/77/49/72/409774972.db2.gz AQNKCPLULFLFAF-AYMMMOKOSA-N 0 0 194.303 2.548 10 0 AFAERN CCCCNc1nccnc1CCC 663314242 409776567 /nfs/dbraw/zinc/77/65/67/409776567.db2.gz BBDCEYVAIMWKRT-UHFFFAOYSA-N 0 0 193.294 2.641 10 0 AFAERN CC(C)c1noc([C@@H]2C[C@@H]3C[C@@H]3C2)n1 663307483 409776639 /nfs/dbraw/zinc/77/66/39/409776639.db2.gz ZLTZDWBVIYBUKI-BRPSZJMVSA-N 0 0 192.262 2.707 10 0 AFAERN Cc1noc([C@H]2CCCC3(CC3)C2)n1 663306266 409777322 /nfs/dbraw/zinc/77/73/22/409777322.db2.gz UMXTZWGHLYZNBJ-VIFPVBQESA-N 0 0 192.262 2.816 10 0 AFAERN Cc1noc([C@@H]2CCCC3(CC3)C2)n1 663306264 409777806 /nfs/dbraw/zinc/77/78/06/409777806.db2.gz UMXTZWGHLYZNBJ-SECBINFHSA-N 0 0 192.262 2.816 10 0 AFAERN C[C@@H]1C[C@@H](C(=O)N(C)C)CC(C)(C)C1 334207666 409787130 /nfs/dbraw/zinc/78/71/30/409787130.db2.gz JQOZLFBXDWSSSG-NXEZZACHSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)CC(C)(C)C(=O)N1CC(C)C1 334201468 409787276 /nfs/dbraw/zinc/78/72/76/409787276.db2.gz REHUCXVNJMUMIL-UHFFFAOYSA-N 0 0 197.322 2.537 10 0 AFAERN CCc1noc(-c2c(C)coc2C)n1 335938290 409795166 /nfs/dbraw/zinc/79/51/66/409795166.db2.gz DLQHCJUBURVAMK-UHFFFAOYSA-N 0 0 192.218 2.509 10 0 AFAERN CCC(C)(C)CCn1ccccc1=O 663915055 409797816 /nfs/dbraw/zinc/79/78/16/409797816.db2.gz HRDNEQDGYVULON-UHFFFAOYSA-N 0 0 193.290 2.675 10 0 AFAERN Cc1ccc(OCCC2CCC2)cn1 663962653 409801555 /nfs/dbraw/zinc/80/15/55/409801555.db2.gz OXQUOKUCXOMJDI-UHFFFAOYSA-N 0 0 191.274 2.959 10 0 AFAERN Cc1ccc(OCC2CC=CC2)cn1 663962625 409800572 /nfs/dbraw/zinc/80/05/72/409800572.db2.gz OHYUTLCYCCIGFO-UHFFFAOYSA-N 0 0 189.258 2.735 10 0 AFAERN Cc1ccc(OCC2(C)CCC2)cn1 663962560 409800975 /nfs/dbraw/zinc/80/09/75/409800975.db2.gz MPDSNXHQYCEZGG-UHFFFAOYSA-N 0 0 191.274 2.959 10 0 AFAERN Cc1cnn(C[C@@H]2CC[C@H]3C[C@H]3C2)c1 663978360 409803642 /nfs/dbraw/zinc/80/36/42/409803642.db2.gz IBBNYCZLJSASAY-GRYCIOLGSA-N 0 0 190.290 2.628 10 0 AFAERN Cc1cc(C)n(C[C@H]2C[C@@H]3C[C@@H]3C2)n1 663973002 409803692 /nfs/dbraw/zinc/80/36/92/409803692.db2.gz CZTIGHDVJBONPV-ZSBIGDGJSA-N 0 0 190.290 2.546 10 0 AFAERN C[C@@H]1CCCC[C@H]1Cn1cccn1 663978356 409803725 /nfs/dbraw/zinc/80/37/25/409803725.db2.gz HXUSTBNAOUNQQK-MNOVXSKESA-N 0 0 178.279 2.709 10 0 AFAERN CCC(C)(C)CCn1cccn1 663977963 409803743 /nfs/dbraw/zinc/80/37/43/409803743.db2.gz FPBAPBDEOMDGNN-UHFFFAOYSA-N 0 0 166.268 2.709 10 0 AFAERN Cc1cnn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 663978362 409803778 /nfs/dbraw/zinc/80/37/78/409803778.db2.gz IBBNYCZLJSASAY-UTUOFQBUSA-N 0 0 190.290 2.628 10 0 AFAERN CC(C)=CCCn1nc(C)cc1C 663973383 409804024 /nfs/dbraw/zinc/80/40/24/409804024.db2.gz GYUNEXGTYRRICS-UHFFFAOYSA-N 0 0 178.279 2.856 10 0 AFAERN C[C@@H]1CCCC[C@@H]1Cn1cccn1 663978355 409804093 /nfs/dbraw/zinc/80/40/93/409804093.db2.gz HXUSTBNAOUNQQK-GHMZBOCLSA-N 0 0 178.279 2.709 10 0 AFAERN Cc1ncccc1OCC1(C)CCC1 663989586 409804181 /nfs/dbraw/zinc/80/41/81/409804181.db2.gz AJPXBQQODCCNCC-UHFFFAOYSA-N 0 0 191.274 2.959 10 0 AFAERN Cc1ncccc1OCCC1CCC1 663989571 409804232 /nfs/dbraw/zinc/80/42/32/409804232.db2.gz ABACUNZCINSNKB-UHFFFAOYSA-N 0 0 191.274 2.959 10 0 AFAERN Cc1cnn(CC23CCC(CC2)C3)c1 663980149 409804279 /nfs/dbraw/zinc/80/42/79/409804279.db2.gz SPSRYKNPYGGRGV-UHFFFAOYSA-N 0 0 190.290 2.772 10 0 AFAERN CC(C)=CCCn1cc(C)cn1 663977936 409804288 /nfs/dbraw/zinc/80/42/88/409804288.db2.gz DIZLGVYQEYRSCD-UHFFFAOYSA-N 0 0 164.252 2.548 10 0 AFAERN C[C@H]1CCCC[C@H]1Cn1cccn1 663978357 409804486 /nfs/dbraw/zinc/80/44/86/409804486.db2.gz HXUSTBNAOUNQQK-QWRGUYRKSA-N 0 0 178.279 2.709 10 0 AFAERN C[C@H]1CCCC[C@@H]1Cn1cccn1 663978358 409804520 /nfs/dbraw/zinc/80/45/20/409804520.db2.gz HXUSTBNAOUNQQK-WDEREUQCSA-N 0 0 178.279 2.709 10 0 AFAERN CCC(CC)COc1cc(C)n(C)n1 663983507 409804589 /nfs/dbraw/zinc/80/45/89/409804589.db2.gz GTXMVVXYEAYHKK-UHFFFAOYSA-N 0 0 196.294 2.544 10 0 AFAERN CC(C)=CCCOc1ccncc1 664014987 409805761 /nfs/dbraw/zinc/80/57/61/409805761.db2.gz GSZSGXIUYTVRHH-UHFFFAOYSA-N 0 0 177.247 2.817 10 0 AFAERN c1cc(OC[C@H]2C[C@@H]3C[C@@H]3C2)ccn1 664016464 409806007 /nfs/dbraw/zinc/80/60/07/409806007.db2.gz OOXIPPPTGSIDRK-JGPRNRPPSA-N 0 0 189.258 2.507 10 0 AFAERN CCC(C)(C)CCOc1cnn(C)c1 663995089 409806501 /nfs/dbraw/zinc/80/65/01/409806501.db2.gz BJDCQPCPMCXLEU-UHFFFAOYSA-N 0 0 196.294 2.625 10 0 AFAERN CCC(CC)Cn1ccc(C(C)=O)n1 663996517 409807410 /nfs/dbraw/zinc/80/74/10/409807410.db2.gz FFEBEUUXQLYOGQ-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CCc1ncn(CCC(C)(C)CC)n1 664041609 409809231 /nfs/dbraw/zinc/80/92/31/409809231.db2.gz PSPFGPKEHZIKFK-UHFFFAOYSA-N 0 0 195.310 2.667 10 0 AFAERN CC(C)C[C@@H](C)COc1ccnnc1 664069089 409811784 /nfs/dbraw/zinc/81/17/84/409811784.db2.gz QHJXGSSJEZQDJP-SNVBAGLBSA-N 0 0 194.278 2.538 10 0 AFAERN CC(C)(C)CCCOc1ccnnc1 664067948 409812271 /nfs/dbraw/zinc/81/22/71/409812271.db2.gz HJGNDHMCBPWRCC-UHFFFAOYSA-N 0 0 194.278 2.682 10 0 AFAERN CCC(C)(C)CCOc1ccnnc1 664065784 409812420 /nfs/dbraw/zinc/81/24/20/409812420.db2.gz AUXPPBWGIZOCRB-UHFFFAOYSA-N 0 0 194.278 2.682 10 0 AFAERN CC(C)C[C@H](C)COc1ccnnc1 664069088 409812649 /nfs/dbraw/zinc/81/26/49/409812649.db2.gz QHJXGSSJEZQDJP-JTQLQIEISA-N 0 0 194.278 2.538 10 0 AFAERN C=Cc1ccccc1OCCCOC 664079789 409814882 /nfs/dbraw/zinc/81/48/82/409814882.db2.gz GDZDYELEIBPBQP-UHFFFAOYSA-N 0 0 192.258 2.745 10 0 AFAERN CCCC[C@H](CC)Cn1cc(C)nn1 664083734 409815048 /nfs/dbraw/zinc/81/50/48/409815048.db2.gz BOOOGBGENFGNLZ-NSHDSACASA-N 0 0 195.310 2.803 10 0 AFAERN CCCC[C@@H](CC)Cn1cc(C)nn1 664083733 409815164 /nfs/dbraw/zinc/81/51/64/409815164.db2.gz BOOOGBGENFGNLZ-LLVKDONJSA-N 0 0 195.310 2.803 10 0 AFAERN CC(C)=CCCn1cc(C2CC2)nn1 664123317 409819152 /nfs/dbraw/zinc/81/91/52/409819152.db2.gz CBNRPSORGRCWSB-UHFFFAOYSA-N 0 0 191.278 2.512 10 0 AFAERN CC(C)=CCCn1cnc(C(C)C)n1 664106513 409819173 /nfs/dbraw/zinc/81/91/73/409819173.db2.gz HKXXIILBOYUMJR-UHFFFAOYSA-N 0 0 193.294 2.758 10 0 AFAERN C1=CCC(Cn2cc(C3CC3)cn2)C1 664100896 409819360 /nfs/dbraw/zinc/81/93/60/409819360.db2.gz AWWOZCXFYISXNY-UHFFFAOYSA-N 0 0 188.274 2.727 10 0 AFAERN C[C@H]1CC[C@H](n2cc(C3CC3)nn2)C1 664124052 409819377 /nfs/dbraw/zinc/81/93/77/409819377.db2.gz NOVMXSLLKSEPRI-WPRPVWTQSA-N 0 0 191.278 2.517 10 0 AFAERN C[C@H]1CC[C@@H](n2cc(C3CC3)nn2)C1 664124051 409819591 /nfs/dbraw/zinc/81/95/91/409819591.db2.gz NOVMXSLLKSEPRI-WCBMZHEXSA-N 0 0 191.278 2.517 10 0 AFAERN c1nn(CCC2CCC2)cc1C1CC1 664103434 409819774 /nfs/dbraw/zinc/81/97/74/409819774.db2.gz WMGPCDCXUDTRFG-UHFFFAOYSA-N 0 0 190.290 2.951 10 0 AFAERN CC1(Cn2cc(C3CC3)cn2)CCC1 664103511 409820003 /nfs/dbraw/zinc/82/00/03/409820003.db2.gz YWXCTDQAPDOBRG-UHFFFAOYSA-N 0 0 190.290 2.951 10 0 AFAERN C[C@@H]1CC[C@@H](n2cc(C3CC3)nn2)C1 664124049 409820488 /nfs/dbraw/zinc/82/04/88/409820488.db2.gz NOVMXSLLKSEPRI-PSASIEDQSA-N 0 0 191.278 2.517 10 0 AFAERN CC(C)=CCCOCc1n[nH]cc1C 664103275 409820762 /nfs/dbraw/zinc/82/07/62/409820762.db2.gz UQIRSQQHKYFPOW-UHFFFAOYSA-N 0 0 194.278 2.591 10 0 AFAERN CC(C)c1ncn(CC2=CCCC2)n1 664106459 409820796 /nfs/dbraw/zinc/82/07/96/409820796.db2.gz FPONVQIXDOYNOV-UHFFFAOYSA-N 0 0 191.278 2.512 10 0 AFAERN C[C@@H]1CC[C@H](n2cc(C3CC3)nn2)C1 664124050 409820881 /nfs/dbraw/zinc/82/08/81/409820881.db2.gz NOVMXSLLKSEPRI-SCZZXKLOSA-N 0 0 191.278 2.517 10 0 AFAERN CCC(CC)COCc1n[nH]cc1C 664100986 409820891 /nfs/dbraw/zinc/82/08/91/409820891.db2.gz CHAOEPFVZARFRG-UHFFFAOYSA-N 0 0 196.294 2.671 10 0 AFAERN CCC(C)(C)[C@@H](C)Nc1ncccn1 664207263 409822110 /nfs/dbraw/zinc/82/21/10/409822110.db2.gz YHUAQYNIJSSWET-SECBINFHSA-N 0 0 193.294 2.713 10 0 AFAERN CCC(C)(C)[C@H](C)Nc1cnccn1 664205924 409822288 /nfs/dbraw/zinc/82/22/88/409822288.db2.gz MZYDFVMGIMIPQY-VIFPVBQESA-N 0 0 193.294 2.713 10 0 AFAERN CCC(C)(C)[C@@H](C)Nc1cnccn1 664205923 409822466 /nfs/dbraw/zinc/82/24/66/409822466.db2.gz MZYDFVMGIMIPQY-SECBINFHSA-N 0 0 193.294 2.713 10 0 AFAERN CCC(C)(C)[C@H](C)Nc1ncccn1 664207265 409822505 /nfs/dbraw/zinc/82/25/05/409822505.db2.gz YHUAQYNIJSSWET-VIFPVBQESA-N 0 0 193.294 2.713 10 0 AFAERN CC[C@H](C)COc1ccncc1 379332332 409825215 /nfs/dbraw/zinc/82/52/15/409825215.db2.gz HHWKJENHDFTJAL-VIFPVBQESA-N 0 0 165.236 2.507 10 0 AFAERN CC[C@@H](C)COc1ccncc1 379332331 409825578 /nfs/dbraw/zinc/82/55/78/409825578.db2.gz HHWKJENHDFTJAL-SECBINFHSA-N 0 0 165.236 2.507 10 0 AFAERN C[C@@H]1C[C@@H]1N(CCF)c1ccccc1 665046346 409833407 /nfs/dbraw/zinc/83/34/07/409833407.db2.gz AUPOKFYWHQKHQM-PWSUYJOCSA-N 0 0 193.265 2.871 10 0 AFAERN CCN(c1ccccc1)[C@H]1C[C@@H]1C 665045681 409833522 /nfs/dbraw/zinc/83/35/22/409833522.db2.gz FJACQBRISKZLKA-JQWIXIFHSA-N 0 0 175.275 2.921 10 0 AFAERN C[C@H]1C[C@@H]1N(CCF)c1ccccc1 665046345 409833897 /nfs/dbraw/zinc/83/38/97/409833897.db2.gz AUPOKFYWHQKHQM-JQWIXIFHSA-N 0 0 193.265 2.871 10 0 AFAERN CCN(c1ccccc1)[C@H]1C[C@H]1C 665045683 409833910 /nfs/dbraw/zinc/83/39/10/409833910.db2.gz FJACQBRISKZLKA-PWSUYJOCSA-N 0 0 175.275 2.921 10 0 AFAERN CCN(c1ccccc1)[C@@H]1C[C@@H]1C 665045679 409834153 /nfs/dbraw/zinc/83/41/53/409834153.db2.gz FJACQBRISKZLKA-CMPLNLGQSA-N 0 0 175.275 2.921 10 0 AFAERN CCC/C=C/c1nc(C2(C)CC2)no1 664900343 409834276 /nfs/dbraw/zinc/83/42/76/409834276.db2.gz ZMHDNIZLRPQNLB-AATRIKPKSA-N 0 0 192.262 2.934 10 0 AFAERN CCN(c1ccccc1)[C@@H]1C[C@H]1C 665045685 409834653 /nfs/dbraw/zinc/83/46/53/409834653.db2.gz FJACQBRISKZLKA-ZYHUDNBSSA-N 0 0 175.275 2.921 10 0 AFAERN C[C@H]1C[C@H]1N(CCF)c1ccccc1 665046344 409834684 /nfs/dbraw/zinc/83/46/84/409834684.db2.gz AUPOKFYWHQKHQM-CMPLNLGQSA-N 0 0 193.265 2.871 10 0 AFAERN C[C@@H]1C[C@H]1N(CCF)c1ccccc1 665046347 409835419 /nfs/dbraw/zinc/83/54/19/409835419.db2.gz AUPOKFYWHQKHQM-ZYHUDNBSSA-N 0 0 193.265 2.871 10 0 AFAERN CCC/C=C\c1nc(C2(C)CC2)no1 664900345 409835576 /nfs/dbraw/zinc/83/55/76/409835576.db2.gz ZMHDNIZLRPQNLB-WAYWQWQTSA-N 0 0 192.262 2.934 10 0 AFAERN CC1=CC[C@@](C)(C(=O)NC(C)C)CC1 665052291 409836639 /nfs/dbraw/zinc/83/66/39/409836639.db2.gz UQVUXBLRBMBHQC-GFCCVEGCSA-N 0 0 195.306 2.648 10 0 AFAERN CC1=CC[C@](C)(C(=O)NC(C)C)CC1 665052292 409836800 /nfs/dbraw/zinc/83/68/00/409836800.db2.gz UQVUXBLRBMBHQC-LBPRGKRZSA-N 0 0 195.306 2.648 10 0 AFAERN CCCCCNC(=O)[C@H]1CCC1(C)C 665062778 409837002 /nfs/dbraw/zinc/83/70/02/409837002.db2.gz OSNRELUXMKLZES-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CCCCCNC(=O)[C@@H]1CCC1(C)C 665062776 409837309 /nfs/dbraw/zinc/83/73/09/409837309.db2.gz OSNRELUXMKLZES-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)CCNC(=O)[C@H]1CCC1(C)C 665109552 409841504 /nfs/dbraw/zinc/84/15/04/409841504.db2.gz FWQCGRGKOZKHFQ-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)CCNC(=O)[C@@H]1CCC1(C)C 665109551 409841809 /nfs/dbraw/zinc/84/18/09/409841809.db2.gz FWQCGRGKOZKHFQ-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@H](C)N[C@H](C)C(F)(F)F 379407397 409842247 /nfs/dbraw/zinc/84/22/47/409842247.db2.gz YOJSBNAGFLHCIK-JGVFFNPUSA-N 0 0 197.244 2.961 10 0 AFAERN FCCCCCOc1ccncc1 379404505 409842313 /nfs/dbraw/zinc/84/23/13/409842313.db2.gz FFRUAWOKVFHGMM-UHFFFAOYSA-N 0 0 183.226 2.600 10 0 AFAERN CC(C)C[C@@H](C)N[C@H](C)C(F)(F)F 379407396 409842980 /nfs/dbraw/zinc/84/29/80/409842980.db2.gz YOJSBNAGFLHCIK-HTQZYQBOSA-N 0 0 197.244 2.961 10 0 AFAERN CCC(CC)NC(=O)[C@H]1CCC1(C)C 665133861 409844001 /nfs/dbraw/zinc/84/40/01/409844001.db2.gz CGGBRWMNQTVYAI-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(CC)NC(=O)[C@@H]1CCC1(C)C 665133859 409845130 /nfs/dbraw/zinc/84/51/30/409845130.db2.gz CGGBRWMNQTVYAI-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN CCCNC(=O)[C@]1(C)CC=C(C)CC1 665155022 409846024 /nfs/dbraw/zinc/84/60/24/409846024.db2.gz NYCVCLMMFQSFIK-GFCCVEGCSA-N 0 0 195.306 2.649 10 0 AFAERN CCCNC(=O)[C@@]1(C)CC=C(C)CC1 665155023 409846696 /nfs/dbraw/zinc/84/66/96/409846696.db2.gz NYCVCLMMFQSFIK-LBPRGKRZSA-N 0 0 195.306 2.649 10 0 AFAERN CCn1nc(C)cc1-c1ccsc1 665214393 409848577 /nfs/dbraw/zinc/84/85/77/409848577.db2.gz WUDXMYWRUZZPHI-UHFFFAOYSA-N 0 0 192.287 2.940 10 0 AFAERN Cc1coc(-c2c(C)n[nH]c2C)c1 665192434 409848915 /nfs/dbraw/zinc/84/89/15/409848915.db2.gz NJVVCNUXOKHONS-UHFFFAOYSA-N 0 0 176.219 2.595 10 0 AFAERN Cc1cocc1-c1c(C)n[nH]c1C 665199218 409849028 /nfs/dbraw/zinc/84/90/28/409849028.db2.gz ZMBBWEUIHAESEB-UHFFFAOYSA-N 0 0 176.219 2.595 10 0 AFAERN Cc1cc(-c2c(C)noc2C)co1 665204785 409849573 /nfs/dbraw/zinc/84/95/73/409849573.db2.gz PKWRLWLXWOTPHF-UHFFFAOYSA-N 0 0 177.203 2.860 10 0 AFAERN Cc1n[nH]cc1-c1cccc2c1CCC2 665188038 409849611 /nfs/dbraw/zinc/84/96/11/409849611.db2.gz INQGZFXAWGBVRR-UHFFFAOYSA-N 0 0 198.269 2.874 10 0 AFAERN CCc1nsc(-c2cocc2C)n1 665199398 409849982 /nfs/dbraw/zinc/84/99/82/409849982.db2.gz GMSQVGNNIVIDNZ-UHFFFAOYSA-N 0 0 194.259 2.669 10 0 AFAERN CCn1nc(C)cc1-c1cccs1 665214191 409850361 /nfs/dbraw/zinc/85/03/61/409850361.db2.gz PYQOQSOGFHQUSA-UHFFFAOYSA-N 0 0 192.287 2.940 10 0 AFAERN CCCC(=O)N(CC)C1CC(C)(C)C1 665667289 409883553 /nfs/dbraw/zinc/88/35/53/409883553.db2.gz BWCQALPBDHSFHV-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN Cc1cnccc1SCCCF 382004398 409888503 /nfs/dbraw/zinc/88/85/03/409888503.db2.gz ANHUBJUVVMXHDF-UHFFFAOYSA-N 0 0 185.267 2.842 10 0 AFAERN CC(C)C1CC(NCC(C)(F)F)C1 382152068 409895139 /nfs/dbraw/zinc/89/51/39/409895139.db2.gz PUSZUFGIYLNXEI-UHFFFAOYSA-N 0 0 191.265 2.666 10 0 AFAERN CC/C=C\CNc1cccc(C)n1 384837729 409917325 /nfs/dbraw/zinc/91/73/25/409917325.db2.gz IEDJOGOOWBLBEC-PLNGDYQASA-N 0 0 176.263 2.768 10 0 AFAERN CCC(CC)CNC(=O)[C@@H]1C[C@H]1CC 387645204 409942952 /nfs/dbraw/zinc/94/29/52/409942952.db2.gz YLHNFHFOBUXMSS-GHMZBOCLSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)CCCOc1ccncc1 388262325 409949268 /nfs/dbraw/zinc/94/92/68/409949268.db2.gz APYKHPSDZHLYHJ-UHFFFAOYSA-N 0 0 179.263 2.897 10 0 AFAERN CCCC(=O)NC(C)(C)C(C)(C)C 388295694 409951375 /nfs/dbraw/zinc/95/13/75/409951375.db2.gz KZJOVCXBEAUHTM-UHFFFAOYSA-N 0 0 185.311 2.727 10 0 AFAERN CCC[C@H](C)CN[C@H](C)C(F)(F)F 388616653 409960075 /nfs/dbraw/zinc/96/00/75/409960075.db2.gz DCFWOBIOQSBOGM-JGVFFNPUSA-N 0 0 197.244 2.963 10 0 AFAERN CCC[C@@H](C)CN[C@@H](C)C(F)(F)F 388616654 409960099 /nfs/dbraw/zinc/96/00/99/409960099.db2.gz DCFWOBIOQSBOGM-SFYZADRCSA-N 0 0 197.244 2.963 10 0 AFAERN CCC[C@H](C)CN[C@@H](C)C(F)(F)F 388616655 409960166 /nfs/dbraw/zinc/96/01/66/409960166.db2.gz DCFWOBIOQSBOGM-YUMQZZPRSA-N 0 0 197.244 2.963 10 0 AFAERN CCC[C@@H](C)CN[C@H](C)C(F)(F)F 388616652 409960182 /nfs/dbraw/zinc/96/01/82/409960182.db2.gz DCFWOBIOQSBOGM-HTQZYQBOSA-N 0 0 197.244 2.963 10 0 AFAERN CC(C)[C@H](C)NC(=O)CC(C)(C)C 388670052 409960451 /nfs/dbraw/zinc/96/04/51/409960451.db2.gz XRPIKGPNGNHXFA-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)[C@@H](C)NC(=O)CC(C)(C)C 388670047 409961155 /nfs/dbraw/zinc/96/11/55/409961155.db2.gz XRPIKGPNGNHXFA-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN C[C@H](N[C@H](C)c1ccoc1)C(F)F 389900565 409974556 /nfs/dbraw/zinc/97/45/56/409974556.db2.gz BPWXTAXOQOMVJV-RQJHMYQMSA-N 0 0 189.205 2.584 10 0 AFAERN CC(C)C1CC(N[C@H](C)C(F)F)C1 389909910 409974680 /nfs/dbraw/zinc/97/46/80/409974680.db2.gz JAVGKWPEJZDVBD-AFPNSQJFSA-N 0 0 191.265 2.664 10 0 AFAERN CC(C)C1CC(N[C@@H](C)C(F)F)C1 389909911 409974741 /nfs/dbraw/zinc/97/47/41/409974741.db2.gz JAVGKWPEJZDVBD-UEJVZZJDSA-N 0 0 191.265 2.664 10 0 AFAERN C[C@@H](N[C@H](C)C(F)F)c1ccoc1 389900564 409974800 /nfs/dbraw/zinc/97/48/00/409974800.db2.gz BPWXTAXOQOMVJV-RNFRBKRXSA-N 0 0 189.205 2.584 10 0 AFAERN C[C@H](N[C@H](C)C(F)F)c1ccoc1 389900563 409975081 /nfs/dbraw/zinc/97/50/81/409975081.db2.gz BPWXTAXOQOMVJV-NKWVEPMBSA-N 0 0 189.205 2.584 10 0 AFAERN C[C@H](N[C@@H](C)C(F)F)c1ccoc1 389900562 409975190 /nfs/dbraw/zinc/97/51/90/409975190.db2.gz BPWXTAXOQOMVJV-BQBZGAKWSA-N 0 0 189.205 2.584 10 0 AFAERN CCCCNc1nc(C2CC2)cs1 393717861 409990314 /nfs/dbraw/zinc/99/03/14/409990314.db2.gz ZUTLRPYBRRCUKN-UHFFFAOYSA-N 0 0 196.319 3.233 10 0 AFAERN CC(C)(CCn1ccnc1)C1CC1 406039791 410043877 /nfs/dbraw/zinc/04/38/77/410043877.db2.gz PPWCZKFENPTPOP-UHFFFAOYSA-N 0 0 178.279 2.709 10 0 AFAERN Cc1ccc(-c2ccccn2)cc1 575179021 410052134 /nfs/dbraw/zinc/05/21/34/410052134.db2.gz FRJNWVIFHOUZSL-UHFFFAOYSA-N 0 0 168.219 2.784 10 0 AFAERN Fc1ccc(-c2ccccn2)cc1F 575179016 410052211 /nfs/dbraw/zinc/05/22/11/410052211.db2.gz BWBLYIJOLFCPOA-UHFFFAOYSA-N 0 0 190.172 2.989 10 0 AFAERN Nc1nc2ccc(C3CC3)cc2s1 575479017 410060875 /nfs/dbraw/zinc/06/08/75/410060875.db2.gz DPIPLKBEVYICSN-UHFFFAOYSA-N 0 0 190.271 2.756 10 0 AFAERN Nc1nc(C2CC3(CCC3)C2)cs1 575487987 410065645 /nfs/dbraw/zinc/06/56/45/410065645.db2.gz XUXHRAUGMYDWHD-UHFFFAOYSA-N 0 0 194.303 2.773 10 0 AFAERN CC(C)(C)[C@H]1C[C@H]1c1csc(N)n1 575538970 410094579 /nfs/dbraw/zinc/09/45/79/410094579.db2.gz VAMLFSGMSVLPCS-RQJHMYQMSA-N 0 0 196.319 2.875 10 0 AFAERN CC(C)(C)[C@@H]1C[C@H]1c1csc(N)n1 575538967 410095035 /nfs/dbraw/zinc/09/50/35/410095035.db2.gz VAMLFSGMSVLPCS-RNFRBKRXSA-N 0 0 196.319 2.875 10 0 AFAERN CC(C)(C)[C@H]1C[C@@H]1c1csc(N)n1 575538965 410095248 /nfs/dbraw/zinc/09/52/48/410095248.db2.gz VAMLFSGMSVLPCS-BQBZGAKWSA-N 0 0 196.319 2.875 10 0 AFAERN CC(C)(C)[C@@H]1C[C@@H]1c1csc(N)n1 575538966 410095350 /nfs/dbraw/zinc/09/53/50/410095350.db2.gz VAMLFSGMSVLPCS-NKWVEPMBSA-N 0 0 196.319 2.875 10 0 AFAERN Nc1nc([C@H]2CCCC23CC3)cs1 575540989 410096135 /nfs/dbraw/zinc/09/61/35/410096135.db2.gz CEOBDOJJYCPJHK-SSDOTTSWSA-N 0 0 194.303 2.773 10 0 AFAERN Nc1nc([C@@H]2CCCC23CC3)cs1 575540991 410096590 /nfs/dbraw/zinc/09/65/90/410096590.db2.gz CEOBDOJJYCPJHK-ZETCQYMHSA-N 0 0 194.303 2.773 10 0 AFAERN CCNc1ncc([C@@H]2CC2(C)C)s1 575581126 410112764 /nfs/dbraw/zinc/11/27/64/410112764.db2.gz KAIRYOUDWKSEBT-ZETCQYMHSA-N 0 0 196.319 3.088 10 0 AFAERN CCNc1ncc([C@H]2CC2(C)C)s1 575581125 410113582 /nfs/dbraw/zinc/11/35/82/410113582.db2.gz KAIRYOUDWKSEBT-SSDOTTSWSA-N 0 0 196.319 3.088 10 0 AFAERN COc1ccccc1/C=C/F 584609446 410122222 /nfs/dbraw/zinc/12/22/22/410122222.db2.gz PBMCGMCNOOGHBJ-VOTSOKGWSA-N 0 0 152.168 2.635 10 0 AFAERN C/C(=C\[N+](=O)[O-])C1CCCCC1 584609464 410122275 /nfs/dbraw/zinc/12/22/75/410122275.db2.gz QEBYUBOQJAPZBK-BQYQJAHWSA-N 0 0 169.224 2.747 10 0 AFAERN C1=CCC(Oc2ccccc2)C1 584609449 410122347 /nfs/dbraw/zinc/12/23/47/410122347.db2.gz PINYATISELPWNZ-UHFFFAOYSA-N 0 0 160.216 2.784 10 0 AFAERN C=CNC(=O)SCc1ccccc1 584646797 410125097 /nfs/dbraw/zinc/12/50/97/410125097.db2.gz IZTBENUTPSYKOQ-UHFFFAOYSA-N 0 0 193.271 2.773 10 0 AFAERN C/C=C/CNc1ncc(Cl)s1 624655970 410145301 /nfs/dbraw/zinc/14/53/01/410145301.db2.gz BCUSTTMNPNCJNV-NSCUHMNNSA-N 0 0 188.683 2.785 10 0 AFAERN C/C=C\CNc1nnc(C(C)C)s1 624656107 410145633 /nfs/dbraw/zinc/14/56/33/410145633.db2.gz GRGPFWBGPOBZIP-PLNGDYQASA-N 0 0 197.307 2.650 10 0 AFAERN C/C=C\CNc1ncc(Cl)s1 624655969 410145964 /nfs/dbraw/zinc/14/59/64/410145964.db2.gz BCUSTTMNPNCJNV-IHWYPQMZSA-N 0 0 188.683 2.785 10 0 AFAERN C/C=C/CNc1nnc(C(C)C)s1 624656108 410146254 /nfs/dbraw/zinc/14/62/54/410146254.db2.gz GRGPFWBGPOBZIP-SNAWJCMRSA-N 0 0 197.307 2.650 10 0 AFAERN CCC(C)(C)CCNc1cccnn1 631451649 410150006 /nfs/dbraw/zinc/15/00/06/410150006.db2.gz QJSWRQJTDDJKCW-UHFFFAOYSA-N 0 0 193.294 2.715 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)N(C)C(C)(C)CC 648972800 410168937 /nfs/dbraw/zinc/16/89/37/410168937.db2.gz KSADYDXZLSQZHX-NXEZZACHSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](CC(C)C)C(=O)N[C@@H]1C[C@H]1C 648907079 410169880 /nfs/dbraw/zinc/16/98/80/410169880.db2.gz JROBPLWBFAIIQB-GMTAPVOTSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)CCCC(=O)N(C)C1CCC1 648989348 410170335 /nfs/dbraw/zinc/17/03/35/410170335.db2.gz HHTJRRPBDPJVNF-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)CCCC(=O)N1CCC[C@@H]1C 649022098 410171523 /nfs/dbraw/zinc/17/15/23/410171523.db2.gz UEYHCOGTBGNUEN-NSHDSACASA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)CCCC(=O)NC1CC(C)C1 649044022 410172316 /nfs/dbraw/zinc/17/23/16/410172316.db2.gz BWHWGLNQWYELOY-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CCCC(=O)N1CCC[C@H]1C 649022097 410172322 /nfs/dbraw/zinc/17/23/22/410172322.db2.gz UEYHCOGTBGNUEN-LLVKDONJSA-N 0 0 197.322 2.824 10 0 AFAERN CC(C)CCCC(=O)NCC1(C)CC1 649057584 410172465 /nfs/dbraw/zinc/17/24/65/410172465.db2.gz OYPGWHPNRIJBDD-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)CCCC(=O)NCCC1CC1 648996395 410172882 /nfs/dbraw/zinc/17/28/82/410172882.db2.gz ODDZCRMOBXDAQQ-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN C=C/C(C)=C\CC(=O)N(C)C(C)(C)C 649119061 410174059 /nfs/dbraw/zinc/17/40/59/410174059.db2.gz AQYAOBBRDPLSGT-NTMALXAHSA-N 0 0 195.306 2.766 10 0 AFAERN C=C/C(C)=C/CC(=O)N(C)C(C)(C)C 649119060 410175140 /nfs/dbraw/zinc/17/51/40/410175140.db2.gz AQYAOBBRDPLSGT-CSKARUKUSA-N 0 0 195.306 2.766 10 0 AFAERN CC(C)CCCC(=O)NC1CC=CC1 649134915 410175281 /nfs/dbraw/zinc/17/52/81/410175281.db2.gz OTMQRILTCRGRTJ-UHFFFAOYSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)CCCC(=O)NC1(C)CCC1 649234468 410176638 /nfs/dbraw/zinc/17/66/38/410176638.db2.gz HDHBZAPOASTYDY-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CC(C)C 649217786 410178177 /nfs/dbraw/zinc/17/81/77/410178177.db2.gz LMDMQRKNWYZWPZ-GMTAPVOTSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CC(C)C 649217787 410178381 /nfs/dbraw/zinc/17/83/81/410178381.db2.gz LMDMQRKNWYZWPZ-HBNTYKKESA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)CCCC(=O)N1CC=CCC1 649342549 410190200 /nfs/dbraw/zinc/19/02/00/410190200.db2.gz XGWFLYOGCBYHKE-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN Cc1nccn1CC12CCC(CC1)C2 649396874 410191733 /nfs/dbraw/zinc/19/17/33/410191733.db2.gz VDBKLAUROKTGQX-UHFFFAOYSA-N 0 0 190.290 2.772 10 0 AFAERN CCc1ccc(-c2c[nH]nc2C)cc1 649439160 410199096 /nfs/dbraw/zinc/19/90/96/410199096.db2.gz KGTWMDSSWRTTFH-UHFFFAOYSA-N 0 0 186.258 2.948 10 0 AFAERN CC(C)c1cccc(-c2nnco2)c1 649424040 410199381 /nfs/dbraw/zinc/19/93/81/410199381.db2.gz GUPVIHRJOQLRFE-UHFFFAOYSA-N 0 0 188.230 2.860 10 0 AFAERN Cc1nsc(-c2csc(C)c2)n1 649431714 410199865 /nfs/dbraw/zinc/19/98/65/410199865.db2.gz HMMNFCAZCWKWBN-UHFFFAOYSA-N 0 0 196.300 2.883 10 0 AFAERN Cc1n[nH]cc1-c1ccc2c(c1)CCC2 649425446 410199879 /nfs/dbraw/zinc/19/98/79/410199879.db2.gz SAJSXANDVDFHFZ-UHFFFAOYSA-N 0 0 198.269 2.874 10 0 AFAERN Cc1cc(-c2nnc(C)s2)cs1 649431587 410200407 /nfs/dbraw/zinc/20/04/07/410200407.db2.gz BBDREJBBXZKCIX-UHFFFAOYSA-N 0 0 196.300 2.883 10 0 AFAERN Cn1ccc(-c2ccc3c(c2)CCC3)n1 649425183 410200427 /nfs/dbraw/zinc/20/04/27/410200427.db2.gz GFKCKFTVFLIHPT-UHFFFAOYSA-N 0 0 198.269 2.576 10 0 AFAERN Cc1ccsc1-c1cn(C)nc1C 649442644 410201340 /nfs/dbraw/zinc/20/13/40/410201340.db2.gz YZCGRLFQMLDKPS-UHFFFAOYSA-N 0 0 192.287 2.765 10 0 AFAERN Cc1cc(-c2cn(C)nc2C)cs1 649442566 410201375 /nfs/dbraw/zinc/20/13/75/410201375.db2.gz VGXSKEZUCBVQMX-UHFFFAOYSA-N 0 0 192.287 2.765 10 0 AFAERN Cc1ccc(-c2cn(C)nc2C)s1 649442271 410201395 /nfs/dbraw/zinc/20/13/95/410201395.db2.gz HEFUXLIFODNIPH-UHFFFAOYSA-N 0 0 192.287 2.765 10 0 AFAERN Cc1nn(C)cc1-c1ccsc1C 649442163 410201653 /nfs/dbraw/zinc/20/16/53/410201653.db2.gz AHJYCQLPCKUMKS-UHFFFAOYSA-N 0 0 192.287 2.765 10 0 AFAERN Cc1cscc1-c1cn(C)nc1C 649442228 410201683 /nfs/dbraw/zinc/20/16/83/410201683.db2.gz DOKLOGBHOURPLQ-UHFFFAOYSA-N 0 0 192.287 2.765 10 0 AFAERN Cc1ccccc1-c1cn(C)nc1C 649442211 410201808 /nfs/dbraw/zinc/20/18/08/410201808.db2.gz CSVZUFODRLIIPO-UHFFFAOYSA-N 0 0 186.258 2.704 10 0 AFAERN CCCn1cc(C(F)(F)F)c(C)n1 649447130 410204392 /nfs/dbraw/zinc/20/43/92/410204392.db2.gz QPFLAVVSKQYXOH-UHFFFAOYSA-N 0 0 192.184 2.620 10 0 AFAERN CCc1nccn1CC1=CCCCC1 649528094 410210525 /nfs/dbraw/zinc/21/05/25/410210525.db2.gz ZHBDBSFEQZHXIF-UHFFFAOYSA-N 0 0 190.290 2.946 10 0 AFAERN FCCCSc1ncccc1F 649640826 410217933 /nfs/dbraw/zinc/21/79/33/410217933.db2.gz KAEVVBHCKBPNJB-UHFFFAOYSA-N 0 0 189.230 2.672 10 0 AFAERN CC(C)CSc1ncccc1F 649644359 410218229 /nfs/dbraw/zinc/21/82/29/410218229.db2.gz LKODNDNGAZWMJQ-UHFFFAOYSA-N 0 0 185.267 2.969 10 0 AFAERN CCCN(C)C(=O)C(C)(C)CCC 649658891 410220546 /nfs/dbraw/zinc/22/05/46/410220546.db2.gz BGSHZCSHHGPOGE-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN CCCSc1ncccc1F 649647815 410220937 /nfs/dbraw/zinc/22/09/37/410220937.db2.gz UCKWNBPCQBZXTA-UHFFFAOYSA-N 0 0 171.240 2.723 10 0 AFAERN CC(C)=CCNC(=O)CCCC(C)C 649700093 410228835 /nfs/dbraw/zinc/22/88/35/410228835.db2.gz GZJPFXPTCWCABL-UHFFFAOYSA-N 0 0 197.322 2.895 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)NCCC=C(C)C 649699516 410230298 /nfs/dbraw/zinc/23/02/98/410230298.db2.gz RDCSVBNSSOOGOJ-GHMZBOCLSA-N 0 0 195.306 2.505 10 0 AFAERN CC[C@H](CC(C)C)C(=O)N1CC(C)C1 649767093 410234741 /nfs/dbraw/zinc/23/47/41/410234741.db2.gz NZYKNGSHCUQVQV-LLVKDONJSA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@@H](CC(C)C)C(=O)N1CC(C)C1 649767094 410234808 /nfs/dbraw/zinc/23/48/08/410234808.db2.gz NZYKNGSHCUQVQV-NSHDSACASA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)NCC(C)(C)CC 649745098 410234825 /nfs/dbraw/zinc/23/48/25/410234825.db2.gz VPCVDEWIZVCENE-NXEZZACHSA-N 0 0 197.322 2.585 10 0 AFAERN CCN1CCOc2c(C)cc(C)cc21 649814985 410240111 /nfs/dbraw/zinc/24/01/11/410240111.db2.gz LWADDYIFDTUYDB-UHFFFAOYSA-N 0 0 191.274 2.522 10 0 AFAERN CC(C)CCCC(=O)N1[C@@H](C)C[C@@H]1C 649858153 410240585 /nfs/dbraw/zinc/24/05/85/410240585.db2.gz QUGFWHCKALPHSS-QWRGUYRKSA-N 0 0 197.322 2.822 10 0 AFAERN CC(C)CCCC(=O)N1CC(C)(C)C1 649832827 410240607 /nfs/dbraw/zinc/24/06/07/410240607.db2.gz NZIFANVBPQVMCA-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)CCCC(=O)N1[C@@H](C)C[C@H]1C 649858152 410240944 /nfs/dbraw/zinc/24/09/44/410240944.db2.gz QUGFWHCKALPHSS-PHIMTYICSA-N 0 0 197.322 2.822 10 0 AFAERN CC(C)CCCC(=O)N1[C@H](C)C[C@H]1C 649858151 410241568 /nfs/dbraw/zinc/24/15/68/410241568.db2.gz QUGFWHCKALPHSS-GHMZBOCLSA-N 0 0 197.322 2.822 10 0 AFAERN F[C@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 649940647 410245957 /nfs/dbraw/zinc/24/59/57/410245957.db2.gz VXHDUPIYLQYFPR-RYUDHWBXSA-N 0 0 197.297 2.919 10 0 AFAERN F[C@H]1CC[N@H+](CC23CCC(CC2)C3)C1 649940643 410246764 /nfs/dbraw/zinc/24/67/64/410246764.db2.gz USBDCSDZYIZKLD-CXQJBGSLSA-N 0 0 197.297 2.611 10 0 AFAERN CCC(C)(C)CC[N@@H+]1CC[C@H](F)C1 649938238 410247600 /nfs/dbraw/zinc/24/76/00/410247600.db2.gz RHDAEYKVBPDVBX-JTQLQIEISA-N 0 0 187.302 2.857 10 0 AFAERN F[C@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 649940646 410247773 /nfs/dbraw/zinc/24/77/73/410247773.db2.gz VXHDUPIYLQYFPR-NWDGAFQWSA-N 0 0 197.297 2.919 10 0 AFAERN CC[C@@H]1C[C@H]1NC(=O)CCCC(C)C 649921746 410247856 /nfs/dbraw/zinc/24/78/56/410247856.db2.gz RIFYQLUZEZRNEI-GHMZBOCLSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC(C)(C)C(=O)N1CC[C@@H]1CC 650052494 410253637 /nfs/dbraw/zinc/25/36/37/410253637.db2.gz JNDXRFBJHRMTFV-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CCCC(C)(C)C(=O)N1CC[C@H]1CC 650052495 410253899 /nfs/dbraw/zinc/25/38/99/410253899.db2.gz JNDXRFBJHRMTFV-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H]1C 650004056 410254470 /nfs/dbraw/zinc/25/44/70/410254470.db2.gz JROBPLWBFAIIQB-OUAUKWLOSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)CCCC(=O)N[C@@H]1CC[C@H]1C 650110669 410255634 /nfs/dbraw/zinc/25/56/34/410255634.db2.gz SQKSCISSCVNLJA-GHMZBOCLSA-N 0 0 197.322 2.727 10 0 AFAERN CNc1cc(C(F)F)ccc1F 650122697 410257283 /nfs/dbraw/zinc/25/72/83/410257283.db2.gz KZTDWEJTURWBLF-UHFFFAOYSA-N 0 0 175.153 2.805 10 0 AFAERN CC(C)CCCC(=O)N[C@H]1CC[C@@H]1C 650110673 410257356 /nfs/dbraw/zinc/25/73/56/410257356.db2.gz SQKSCISSCVNLJA-QWRGUYRKSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CCCC(=O)N[C@@H]1CC[C@@H]1C 650110674 410257361 /nfs/dbraw/zinc/25/73/61/410257361.db2.gz SQKSCISSCVNLJA-WDEREUQCSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CCCC(=O)N[C@H]1CC[C@H]1C 650110671 410257496 /nfs/dbraw/zinc/25/74/96/410257496.db2.gz SQKSCISSCVNLJA-MNOVXSKESA-N 0 0 197.322 2.727 10 0 AFAERN CCc1ccncc1NCC1(F)CC1 650243161 410259248 /nfs/dbraw/zinc/25/92/48/410259248.db2.gz MCWXTGXFALBEJO-UHFFFAOYSA-N 0 0 194.253 2.558 10 0 AFAERN CCc1ccncc1NCC1(C)CC1 650242965 410260498 /nfs/dbraw/zinc/26/04/98/410260498.db2.gz FAHDYKSKZBXDIS-UHFFFAOYSA-N 0 0 190.290 2.856 10 0 AFAERN Cc1c[nH]nc1COCCC(C)(C)C 650345589 410265864 /nfs/dbraw/zinc/26/58/64/410265864.db2.gz QULGPNIJHODNNP-UHFFFAOYSA-N 0 0 196.294 2.671 10 0 AFAERN CC/C=C/CCOCc1n[nH]cc1C 650345684 410266259 /nfs/dbraw/zinc/26/62/59/410266259.db2.gz UVRPNDHWBVSDTI-SNAWJCMRSA-N 0 0 194.278 2.591 10 0 AFAERN CC(C)=CCn1cc(C2CC2)cn1 650344949 410266444 /nfs/dbraw/zinc/26/64/44/410266444.db2.gz IPGCOPUEDYGBJI-UHFFFAOYSA-N 0 0 176.263 2.727 10 0 AFAERN C1=C(Cn2cc(C3CC3)cn2)CCC1 650344857 410266721 /nfs/dbraw/zinc/26/67/21/410266721.db2.gz CRPYXLZKDFPQKT-UHFFFAOYSA-N 0 0 188.274 2.871 10 0 AFAERN c1nn(CC2CCC2)cc1C1CC1 650344715 410266893 /nfs/dbraw/zinc/26/68/93/410266893.db2.gz XORAUPKWTRLILJ-UHFFFAOYSA-N 0 0 176.263 2.561 10 0 AFAERN CC(C)CCn1cc(C2CC2)cn1 650343905 410266967 /nfs/dbraw/zinc/26/69/67/410266967.db2.gz MELPHDBEYIVXEE-UHFFFAOYSA-N 0 0 178.279 2.807 10 0 AFAERN CC/C=C\CCOCc1n[nH]cc1C 650345683 410267117 /nfs/dbraw/zinc/26/71/17/410267117.db2.gz UVRPNDHWBVSDTI-PLNGDYQASA-N 0 0 194.278 2.591 10 0 AFAERN Cc1c[nH]nc1COCCCC(C)C 650345153 410267205 /nfs/dbraw/zinc/26/72/05/410267205.db2.gz SXBLNLSHXARFMO-UHFFFAOYSA-N 0 0 196.294 2.671 10 0 AFAERN CC[C@H](C)Cn1cc(C2CC2)cn1 650344646 410267210 /nfs/dbraw/zinc/26/72/10/410267210.db2.gz SSJXZTZSWUJHTO-VIFPVBQESA-N 0 0 178.279 2.807 10 0 AFAERN CC[C@@H](C)Cn1cc(C2CC2)cn1 650344645 410267274 /nfs/dbraw/zinc/26/72/74/410267274.db2.gz SSJXZTZSWUJHTO-SECBINFHSA-N 0 0 178.279 2.807 10 0 AFAERN c1nn(C2CCCC2)cc1C1CC1 650344300 410267330 /nfs/dbraw/zinc/26/73/30/410267330.db2.gz FYFPSNVKYDDYPN-UHFFFAOYSA-N 0 0 176.263 2.876 10 0 AFAERN c1nn(CC2CCCC2)cc1C1CC1 650344364 410267310 /nfs/dbraw/zinc/26/73/10/410267310.db2.gz ILEXDLGQXLLLHU-UHFFFAOYSA-N 0 0 190.290 2.951 10 0 AFAERN c1nn(CCC2CC2)cc1C1CC1 650344358 410267398 /nfs/dbraw/zinc/26/73/98/410267398.db2.gz ICSCFLJLSCMJCE-UHFFFAOYSA-N 0 0 176.263 2.561 10 0 AFAERN CCCCn1cc(C2CC2)cn1 650343914 410267580 /nfs/dbraw/zinc/26/75/80/410267580.db2.gz MLDHUFIQCVXGIK-UHFFFAOYSA-N 0 0 164.252 2.561 10 0 AFAERN FCCCCCn1cc(C2CC2)cn1 650345138 410267633 /nfs/dbraw/zinc/26/76/33/410267633.db2.gz RENPTTJNJPHGCS-UHFFFAOYSA-N 0 0 196.269 2.900 10 0 AFAERN FCCCCn1cc(C2CC2)cn1 650344809 410267687 /nfs/dbraw/zinc/26/76/87/410267687.db2.gz AKOGENXRGHLDND-UHFFFAOYSA-N 0 0 182.242 2.510 10 0 AFAERN CCC1(NC(=O)[C@@H](C)CC(C)C)CC1 650678871 410276306 /nfs/dbraw/zinc/27/63/06/410276306.db2.gz QDZLWSHDXGHJNB-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CCCC(=O)N1C[C@H](C)[C@H]1C 650384385 410269446 /nfs/dbraw/zinc/26/94/46/410269446.db2.gz HPKNKRSYSIXVNO-WDEREUQCSA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)CCCC(=O)N1C[C@@H](C)[C@H]1C 650384382 410270234 /nfs/dbraw/zinc/27/02/34/410270234.db2.gz HPKNKRSYSIXVNO-GHMZBOCLSA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)CCCC(=O)N1C[C@@H](C)[C@@H]1C 650384383 410270351 /nfs/dbraw/zinc/27/03/51/410270351.db2.gz HPKNKRSYSIXVNO-MNOVXSKESA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)CCCC(=O)N1C[C@H](C)[C@@H]1C 650384384 410270667 /nfs/dbraw/zinc/27/06/67/410270667.db2.gz HPKNKRSYSIXVNO-QWRGUYRKSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H]1CCN1C(=O)CCCC(C)C 650360374 410270963 /nfs/dbraw/zinc/27/09/63/410270963.db2.gz PVTMQSXJLWCYMD-LLVKDONJSA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H]1CCN1C(=O)CCCC(C)C 650360375 410271079 /nfs/dbraw/zinc/27/10/79/410271079.db2.gz PVTMQSXJLWCYMD-NSHDSACASA-N 0 0 197.322 2.824 10 0 AFAERN CCCCCC(=O)N1CC[C@@H]1C1CC1 650700894 410275406 /nfs/dbraw/zinc/27/54/06/410275406.db2.gz OPZBOGGPLNEQPJ-LLVKDONJSA-N 0 0 195.306 2.578 10 0 AFAERN CCCCCC(=O)N1CC[C@H]1C1CC1 650700895 410275496 /nfs/dbraw/zinc/27/54/96/410275496.db2.gz OPZBOGGPLNEQPJ-NSHDSACASA-N 0 0 195.306 2.578 10 0 AFAERN CCC1(NC(=O)CCCC(C)C)CC1 650678994 410275682 /nfs/dbraw/zinc/27/56/82/410275682.db2.gz XHAAJJKJBQIVTB-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CCC1(NC(=O)[C@H](C)CC(C)C)CC1 650678872 410276194 /nfs/dbraw/zinc/27/61/94/410276194.db2.gz QDZLWSHDXGHJNB-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H](C)CCC(=O)N[C@@H](C)C1CC1 650770128 410278045 /nfs/dbraw/zinc/27/80/45/410278045.db2.gz FHGXNQQQZNXJBD-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@H](C)C(=O)N[C@H](C)C1CC1 650762965 410279524 /nfs/dbraw/zinc/27/95/24/410279524.db2.gz KGBBXPLRGUTSSZ-VHSXEESVSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N[C@H](C)C1CC1 650762964 410279578 /nfs/dbraw/zinc/27/95/78/410279578.db2.gz KGBBXPLRGUTSSZ-NXEZZACHSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)CCC(=O)N[C@@H](C)C1CC1 650770127 410279619 /nfs/dbraw/zinc/27/96/19/410279619.db2.gz FHGXNQQQZNXJBD-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@H](C)C(=O)N[C@@H](C)C1CC1 650770624 410280727 /nfs/dbraw/zinc/28/07/27/410280727.db2.gz KGBBXPLRGUTSSZ-UWVGGRQHSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)C1CC1 650770614 410280921 /nfs/dbraw/zinc/28/09/21/410280921.db2.gz DUWSUFZKJCYQCO-GUBZILKMSA-N 0 0 197.322 2.583 10 0 AFAERN CC/C=C/CNC(=O)CCCC(C)C 650823195 410281040 /nfs/dbraw/zinc/28/10/40/410281040.db2.gz OXTFPJWWVUQWFU-AATRIKPKSA-N 0 0 197.322 2.895 10 0 AFAERN CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](C)C1CC1 650770613 410281101 /nfs/dbraw/zinc/28/11/01/410281101.db2.gz DUWSUFZKJCYQCO-BBBLOLIVSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N[C@@H](C)C1CC1 650770625 410281129 /nfs/dbraw/zinc/28/11/29/410281129.db2.gz KGBBXPLRGUTSSZ-ZJUUUORDSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)[C@H](C)C(=O)N[C@@H](C)C1CC1 650770615 410281303 /nfs/dbraw/zinc/28/13/03/410281303.db2.gz DUWSUFZKJCYQCO-UTLUCORTSA-N 0 0 197.322 2.583 10 0 AFAERN CC/C=C\CNC(=O)CCCC(C)C 650823196 410281523 /nfs/dbraw/zinc/28/15/23/410281523.db2.gz OXTFPJWWVUQWFU-WAYWQWQTSA-N 0 0 197.322 2.895 10 0 AFAERN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)C1CC1 650770612 410281725 /nfs/dbraw/zinc/28/17/25/410281725.db2.gz DUWSUFZKJCYQCO-AEJSXWLSSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)C(C)(C)C(=O)N[C@@H](C)C1CC1 650770603 410281984 /nfs/dbraw/zinc/28/19/84/410281984.db2.gz AFGMPUHDMORDGQ-VIFPVBQESA-N 0 0 197.322 2.583 10 0 AFAERN CC/C=C/CNC(=O)[C@@H](C)CC(C)C 650823970 410283940 /nfs/dbraw/zinc/28/39/40/410283940.db2.gz PQIWWNMGFRQUDX-MLRMMBSGSA-N 0 0 197.322 2.751 10 0 AFAERN CC/C=C/CNC(=O)[C@H](C)CC(C)C 650823971 410284142 /nfs/dbraw/zinc/28/41/42/410284142.db2.gz PQIWWNMGFRQUDX-XUIVZRPNSA-N 0 0 197.322 2.751 10 0 AFAERN CC/C=C\CNC(=O)[C@H](C)CC(C)C 650823969 410284334 /nfs/dbraw/zinc/28/43/34/410284334.db2.gz PQIWWNMGFRQUDX-JMEBYUIHSA-N 0 0 197.322 2.751 10 0 AFAERN CC/C=C\CNC(=O)[C@@H](C)CC(C)C 650823972 410284620 /nfs/dbraw/zinc/28/46/20/410284620.db2.gz PQIWWNMGFRQUDX-ZADCQDASSA-N 0 0 197.322 2.751 10 0 AFAERN CCC(CC)C(=O)N[C@H](C)C(C)(C)C 650862666 410285971 /nfs/dbraw/zinc/28/59/71/410285971.db2.gz AGRGBSDIKPWIJO-SECBINFHSA-N 0 0 199.338 2.973 10 0 AFAERN C[C@@H](NC(=O)C1CCCC1)C(C)(C)C 650862860 410286965 /nfs/dbraw/zinc/28/69/65/410286965.db2.gz LIRXJIVZBSQYDO-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)C(=O)N[C@H](C)C(C)(C)C 650862783 410287089 /nfs/dbraw/zinc/28/70/89/410287089.db2.gz ICUJPYAWQSBWSC-VHSXEESVSA-N 0 0 199.338 2.973 10 0 AFAERN C[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C 650863070 410287116 /nfs/dbraw/zinc/28/71/16/410287116.db2.gz SQRQKQYBGRZRBV-SECBINFHSA-N 0 0 199.338 2.973 10 0 AFAERN CCC[C@@H](C)C(=O)N[C@H](C)C(C)(C)C 650862782 410287124 /nfs/dbraw/zinc/28/71/24/410287124.db2.gz ICUJPYAWQSBWSC-NXEZZACHSA-N 0 0 199.338 2.973 10 0 AFAERN C[C@H](C(=O)N[C@H](C)C(C)(C)C)C1CC1 650865898 410288409 /nfs/dbraw/zinc/28/84/09/410288409.db2.gz YLZQBNPPIWIXBT-DTWKUNHWSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(C)C(=O)N[C@H](C)C(C)(C)C 650865267 410288483 /nfs/dbraw/zinc/28/84/83/410288483.db2.gz ABWAUSCJQVNNIK-SECBINFHSA-N 0 0 199.338 2.973 10 0 AFAERN CC(C)[C@@H](C)C(=O)N[C@H](C)C(C)(C)C 650865865 410288580 /nfs/dbraw/zinc/28/85/80/410288580.db2.gz VMXRDGYCEKJTCN-NXEZZACHSA-N 0 0 199.338 2.829 10 0 AFAERN C[C@@H](NC(=O)C1=CCCC1)C(C)(C)C 650866143 410288622 /nfs/dbraw/zinc/28/86/22/410288622.db2.gz HZADEUOAIXZGQU-SECBINFHSA-N 0 0 195.306 2.648 10 0 AFAERN C[C@@H](NC(=O)CC1(C)CC1)C(C)(C)C 650866817 410288797 /nfs/dbraw/zinc/28/87/97/410288797.db2.gz CRRIQWAXIIRAAB-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC1(C(=O)N[C@H](C)C(C)(C)C)CC1 650865838 410289031 /nfs/dbraw/zinc/28/90/31/410289031.db2.gz UKVFDQMUEDTYBR-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)N[C@H](C)C(C)(C)C 650867199 410289111 /nfs/dbraw/zinc/28/91/11/410289111.db2.gz FKYSYMWOHJOCOH-OPRDCNLKSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)CCC(=O)N[C@H](C)C(C)(C)C 650863474 410289196 /nfs/dbraw/zinc/28/91/96/410289196.db2.gz MUCXSHSNWBPJHP-SNVBAGLBSA-N 0 0 199.338 2.973 10 0 AFAERN C[C@@H](C(=O)N[C@H](C)C(C)(C)C)C1CC1 650865899 410289260 /nfs/dbraw/zinc/28/92/60/410289260.db2.gz YLZQBNPPIWIXBT-RKDXNWHRSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)CC(=O)N[C@H](C)C(C)(C)C 650866678 410289420 /nfs/dbraw/zinc/28/94/20/410289420.db2.gz QFIIEMWDRDZXGC-NXEZZACHSA-N 0 0 199.338 2.973 10 0 AFAERN CC[C@H](C)CC(=O)N[C@H](C)C(C)(C)C 650866679 410289483 /nfs/dbraw/zinc/28/94/83/410289483.db2.gz QFIIEMWDRDZXGC-VHSXEESVSA-N 0 0 199.338 2.973 10 0 AFAERN C[C@@H](NC(=O)CCC1CC1)C(C)(C)C 650865620 410289702 /nfs/dbraw/zinc/28/97/02/410289702.db2.gz CRTFPRPKOCLKNA-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@@H](NC(=O)CC1CCC1)C(C)(C)C 650865879 410289836 /nfs/dbraw/zinc/28/98/36/410289836.db2.gz WSAOKOJPABAAGO-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@@H](NC(=O)C1CC=CC1)C(C)(C)C 650865639 410290023 /nfs/dbraw/zinc/29/00/23/410290023.db2.gz FWUPSRIIDMNFHP-SECBINFHSA-N 0 0 195.306 2.503 10 0 AFAERN CC(C)[C@H](C)C(=O)N[C@H](C)C(C)(C)C 650865866 410290088 /nfs/dbraw/zinc/29/00/88/410290088.db2.gz VMXRDGYCEKJTCN-VHSXEESVSA-N 0 0 199.338 2.829 10 0 AFAERN C[C@@H](NC(=O)[C@H]1CC1(C)C)C(C)(C)C 650866126 410290106 /nfs/dbraw/zinc/29/01/06/410290106.db2.gz HEZRBLGZFACEFO-RKDXNWHRSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@@H](NC(=O)C1(C)CCC1)C(C)(C)C 650865904 410290241 /nfs/dbraw/zinc/29/02/41/410290241.db2.gz ZASHQQKDIPVOAF-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)NC(=S)c1ccccc1 39213476 571909730 /nfs/dbraw/zinc/90/97/30/571909730.db2.gz JFNLOTVTYBLUHY-VIFPVBQESA-N 0 0 193.315 2.750 10 0 AFAERN O=C1CCCC[C@@H](C2CCCCC2)N1 39212550 571909758 /nfs/dbraw/zinc/90/97/58/571909758.db2.gz YBAVVLPLYQELCW-NSHDSACASA-N 0 0 195.306 2.626 10 0 AFAERN Cc1c(O)cc(O)c2ccccc12 39215345 571909805 /nfs/dbraw/zinc/90/98/05/571909805.db2.gz IVHZKPMQDQQREG-UHFFFAOYSA-N 0 0 174.199 2.559 10 0 AFAERN CC1(C)C[C@@]2(C)CC[C@@H]1C(=O)C2 39205568 571909812 /nfs/dbraw/zinc/90/98/12/571909812.db2.gz VWZJVOKRPDAFRX-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](CO)c1ccc(F)c(C)c1 41202093 571980718 /nfs/dbraw/zinc/98/07/18/571980718.db2.gz DRVPOYBOOCCHJH-SECBINFHSA-N 0 0 182.238 2.620 10 0 AFAERN Cc1cc(C)c(OCC(C)C)c(N)c1 41206515 571982628 /nfs/dbraw/zinc/98/26/28/571982628.db2.gz BLWQSRNZRLIKAF-UHFFFAOYSA-N 0 0 193.290 2.920 10 0 AFAERN OCC[C@@H]1CCc2c(Cl)cccc21 41207448 571982634 /nfs/dbraw/zinc/98/26/34/571982634.db2.gz KZOGVPQYHXEUAC-QMMMGPOBSA-N 0 0 196.677 2.752 10 0 AFAERN C[C@@H]1CCC[C@H]1[C@H](O)CCC1CC1 300232497 572012194 /nfs/dbraw/zinc/01/21/94/572012194.db2.gz HFWBGMZMKIPHBS-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN COCC[C@H](C)C(=O)[C@@H]1CCC[C@H]1C 300232922 572016655 /nfs/dbraw/zinc/01/66/55/572016655.db2.gz IXMXMSQTJKZSIM-OUAUKWLOSA-N 0 0 198.306 2.664 10 0 AFAERN CC(C)CCOCCC(=O)C1(C)CC1 687698678 572016661 /nfs/dbraw/zinc/01/66/61/572016661.db2.gz PSOHKBKWLXOSCX-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)CCc1nccc(Cl)n1 43374155 572156196 /nfs/dbraw/zinc/15/61/96/572156196.db2.gz OPZUZQLZKRGRNN-UHFFFAOYSA-N 0 0 184.670 2.719 10 0 AFAERN Clc1cccnc1N1CC=CCC1 238824109 572156236 /nfs/dbraw/zinc/15/62/36/572156236.db2.gz DIDCYOXDSJUAMI-UHFFFAOYSA-N 0 0 194.665 2.501 10 0 AFAERN c1ccc(-c2c[nH]c3nccnc23)cc1 33846831 572039919 /nfs/dbraw/zinc/03/99/19/572039919.db2.gz GYVWSJDPJUBAGL-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN Oc1ccccc1C/C=C/Cl 33844986 572039935 /nfs/dbraw/zinc/03/99/35/572039935.db2.gz OHABNEWOPPLQFH-XVNBXDOJSA-N 0 0 168.623 2.687 10 0 AFAERN C/C=C/CC(=O)Nc1ccccc1 33843100 572039940 /nfs/dbraw/zinc/03/99/40/572039940.db2.gz CQHHCIXYMKHOJW-NSCUHMNNSA-N 0 0 175.231 2.591 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1ccoc1 69946221 572164908 /nfs/dbraw/zinc/16/49/08/572164908.db2.gz HQJOHTXQTGPMPF-SCZZXKLOSA-N 0 0 168.236 2.749 10 0 AFAERN CCc1cc(O)ccc1C(=O)C1CC1 71463521 572060172 /nfs/dbraw/zinc/06/01/72/572060172.db2.gz WHODVNDNQHCYMN-UHFFFAOYSA-N 0 0 190.242 2.547 10 0 AFAERN O=C1CCCCC[C@@H]1CCOC1CC1 711657987 572060189 /nfs/dbraw/zinc/06/01/89/572060189.db2.gz JLVQINOBUWAWCS-SNVBAGLBSA-N 0 0 196.290 2.705 10 0 AFAERN Cc1cccc2c1C(=O)CCCC2 34172729 572060206 /nfs/dbraw/zinc/06/02/06/572060206.db2.gz JUFPNOFQAXJJEE-UHFFFAOYSA-N 0 0 174.243 2.904 10 0 AFAERN CCOc1ccc([C@@H](C)O)c(CC)c1 71463357 572060223 /nfs/dbraw/zinc/06/02/23/572060223.db2.gz URNOYFRCTYHIRO-SECBINFHSA-N 0 0 194.274 2.701 10 0 AFAERN CCOc1ccc(CC)cc1[C@@H](C)O 71463995 572060231 /nfs/dbraw/zinc/06/02/31/572060231.db2.gz HTLCKDCZKWHQJL-SECBINFHSA-N 0 0 194.274 2.701 10 0 AFAERN Cc1cccc(CC(C)(C)[C@H](C)O)c1 34156590 572060232 /nfs/dbraw/zinc/06/02/32/572060232.db2.gz DNYMVYUEVAHJJY-NSHDSACASA-N 0 0 192.302 2.945 10 0 AFAERN COc1cc(CC=C(C)C)ccc1O 34327328 572071347 /nfs/dbraw/zinc/07/13/47/572071347.db2.gz NYEXUZMMWKAJLZ-UHFFFAOYSA-N 0 0 192.258 2.910 10 0 AFAERN c1ccn2c3c(cc2c1)CCCC3 34295552 572071367 /nfs/dbraw/zinc/07/13/67/572071367.db2.gz KFYSLCKGMHEGHX-UHFFFAOYSA-N 0 0 171.243 2.818 10 0 AFAERN C=Cc1ccc(C)cc1NC(C)=O 34478657 572086635 /nfs/dbraw/zinc/08/66/35/572086635.db2.gz PGDRZPPTHPFWGJ-UHFFFAOYSA-N 0 0 175.231 2.596 10 0 AFAERN Cc1cc2c(cc1F)CC[C@@H](C)N2 34477900 572086651 /nfs/dbraw/zinc/08/66/51/572086651.db2.gz NIYMCJUKMCWHGU-MRVPVSSYSA-N 0 0 179.238 2.881 10 0 AFAERN CC(C)[C@@H]1C[C@H](C(C)C)C1=O 34497164 572086658 /nfs/dbraw/zinc/08/66/58/572086658.db2.gz SDQBABYMXQGIKQ-DTORHVGOSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cc2cc[nH]c2c2cc[nH]c12 34479269 572086668 /nfs/dbraw/zinc/08/66/68/572086668.db2.gz FQGPZUUGXTUAHN-UHFFFAOYSA-N 0 0 170.215 2.958 10 0 AFAERN CC(C)[C@H]1C[C@H](C(C)C)C1=O 34497165 572086682 /nfs/dbraw/zinc/08/66/82/572086682.db2.gz SDQBABYMXQGIKQ-RKDXNWHRSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@@H]1C[C@@H](C(C)C)C1=O 34497166 572086684 /nfs/dbraw/zinc/08/66/84/572086684.db2.gz SDQBABYMXQGIKQ-IUCAKERBSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cccc(-c2cnc(N)cc2C)c1 82730392 572086738 /nfs/dbraw/zinc/08/67/38/572086738.db2.gz OQEYGPDXEFGJKB-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC1=CCCC[C@H]1C(=O)C(F)(F)F 34493961 572086794 /nfs/dbraw/zinc/08/67/94/572086794.db2.gz NUHINZKFHHJURI-SSDOTTSWSA-N 0 0 192.180 2.864 10 0 AFAERN c1ccc2c(c1)CC[NH2+][C@@H]2c1ccoc1 69758210 572141049 /nfs/dbraw/zinc/14/10/49/572141049.db2.gz JPAXWAVQOCMTDS-CYBMUJFWSA-N 0 0 199.253 2.515 10 0 AFAERN C[C@H](O)[C@H](C)CCc1ccsc1 69766542 572143817 /nfs/dbraw/zinc/14/38/17/572143817.db2.gz KPDWNXJQEYENGI-BDAKNGLRSA-N 0 0 184.304 2.698 10 0 AFAERN O[C@H](CCCc1ccsc1)C1CC1 69766589 572143840 /nfs/dbraw/zinc/14/38/40/572143840.db2.gz VVPXLVOBPMAVRQ-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@H]1CCC[C@@H](Nc2cn[nH]c2)[C@@H]1C 82858419 572156115 /nfs/dbraw/zinc/15/61/15/572156115.db2.gz YKWVCCBGCNKHDZ-IQJOONFLSA-N 0 0 193.294 2.646 10 0 AFAERN CCc1ccc2c(c1)[C@H](C)CN2 19948082 572207354 /nfs/dbraw/zinc/20/73/54/572207354.db2.gz FZSYYLYZIMKEDU-MRVPVSSYSA-N 0 0 161.248 2.778 10 0 AFAERN CC[C@H](CO)C[C@H](C)CC(F)F 687891276 572207357 /nfs/dbraw/zinc/20/73/57/572207357.db2.gz QESAVHXJNARJSD-YUMQZZPRSA-N 0 0 180.238 2.686 10 0 AFAERN CCSC[C@@H](O)CC1CCCC1 83484670 572223947 /nfs/dbraw/zinc/22/39/47/572223947.db2.gz GALLMVQRWRLWAI-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CCC[C@@](C)(CO)CCCOCC 85038212 572628429 /nfs/dbraw/zinc/62/84/29/572628429.db2.gz RLWZOCSSWHRNEL-LLVKDONJSA-N 0 0 188.311 2.602 10 0 AFAERN COc1ccc2ccc3[nH]cnc3c2c1 238405970 572678184 /nfs/dbraw/zinc/67/81/84/572678184.db2.gz FYWXUDFIVWFFLA-UHFFFAOYSA-N 0 0 198.225 2.725 10 0 AFAERN CCN[C@H](c1ccccc1C)C(F)F 87687426 572678191 /nfs/dbraw/zinc/67/81/91/572678191.db2.gz WAGTXSHLIBQWSJ-SNVBAGLBSA-N 0 0 199.244 2.911 10 0 AFAERN CC(C)SCCC(C)(C)CO 307865505 572678193 /nfs/dbraw/zinc/67/81/93/572678193.db2.gz FZQSPFHVBHNEMZ-UHFFFAOYSA-N 0 0 176.325 2.537 10 0 AFAERN C[C@H](O)/C=C1\C[C@H](C)CC[C@@H]1C 307921189 572760440 /nfs/dbraw/zinc/76/04/40/572760440.db2.gz DXORSHPCDXHXSD-IOFYXXSOSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@H]1Cc2cccc(C)c2NC1=O 49806450 572811394 /nfs/dbraw/zinc/81/13/94/572811394.db2.gz FHFATPQMSFKTSQ-VIFPVBQESA-N 0 0 189.258 2.516 10 0 AFAERN Nc1ccc2c3c(ccc2c1)CCC3=O 238579552 572830473 /nfs/dbraw/zinc/83/04/73/572830473.db2.gz IJQYZBZANRUTFE-UHFFFAOYSA-N 0 0 197.237 2.551 10 0 AFAERN O[C@@H](C1=CCCCC1)c1cccnc1 50328805 572878958 /nfs/dbraw/zinc/87/89/58/572878958.db2.gz NZAMKRISOUDLIT-LBPRGKRZSA-N 0 0 189.258 2.615 10 0 AFAERN CC1(c2ccc(O)cc2)CC=CC1 238241827 572996344 /nfs/dbraw/zinc/99/63/44/572996344.db2.gz UIXXPIWCGCSTBY-UHFFFAOYSA-N 0 0 174.243 3.000 10 0 AFAERN CC1(C)CC(=O)[C@H]2CC=C[C@@H]2C1 238240904 572996373 /nfs/dbraw/zinc/99/63/73/572996373.db2.gz BZTQXCOZRUVHCB-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN CCCC[C@H]1CC(=O)[C@@H]2C=CC[C@H]12 238242067 572996377 /nfs/dbraw/zinc/99/63/77/572996377.db2.gz KKQPDLNESVSYLE-HBNTYKKESA-N 0 0 178.275 2.958 10 0 AFAERN CCCC[C@H](O)CCC1CC1 86315101 572916049 /nfs/dbraw/zinc/91/60/49/572916049.db2.gz XDHOBWKXMHHWMJ-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CCCCC1=C[C@H]2C(=O)CC[C@@H]12 222613718 572946329 /nfs/dbraw/zinc/94/63/29/572946329.db2.gz IAGJFBQITWAYLI-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN CCCOCC(=O)C1(CCC)CC1 308207923 572946335 /nfs/dbraw/zinc/94/63/35/572946335.db2.gz JFOVTILVKMNKSU-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCc1ccc2c(c1)NC[C@H](CC)O2 58235187 572946347 /nfs/dbraw/zinc/94/63/47/572946347.db2.gz NVVVHGFZZWIKNA-JTQLQIEISA-N 0 0 191.274 2.832 10 0 AFAERN CC(C)[C@H]1CNc2cc(F)ccc2O1 58235130 572946365 /nfs/dbraw/zinc/94/63/65/572946365.db2.gz CNAQCDLFBAWIPZ-LLVKDONJSA-N 0 0 195.237 2.655 10 0 AFAERN Cc1ccc2c(c1)NC[C@@H](C(C)C)O2 58235199 572946375 /nfs/dbraw/zinc/94/63/75/572946375.db2.gz STUITYYSVUYLGF-LBPRGKRZSA-N 0 0 191.274 2.824 10 0 AFAERN CCC1(C[C@H](O)[C@H]2C[C@@H]2C)CCC1 308219283 572996197 /nfs/dbraw/zinc/99/61/97/572996197.db2.gz BQBSNEIGONZNLI-DCAQKATOSA-N 0 0 182.307 2.974 10 0 AFAERN CCC1=C[C@@H](O)C(C)(C)CC1 238241751 572996260 /nfs/dbraw/zinc/99/62/60/572996260.db2.gz KKJPTPRALNHUJW-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CC=C=CC[C@@H]1CC[C@@H](O)C=C1C 238241662 572996304 /nfs/dbraw/zinc/99/63/04/572996304.db2.gz GGHZIXWQUJYPIG-VTZBPZNZSA-N 0 0 178.275 2.825 10 0 AFAERN CCC1=CC[C@H](C(C)C)C[C@@H]1O 238241177 572996316 /nfs/dbraw/zinc/99/63/16/572996316.db2.gz BGPRQHXZEWCIKJ-QWRGUYRKSA-N 0 0 168.280 2.750 10 0 AFAERN COSc1cccc(Cl)c1 259302744 572996343 /nfs/dbraw/zinc/99/63/43/572996343.db2.gz ULYZOMYKNREDRY-UHFFFAOYSA-N 0 0 174.652 2.994 10 0 AFAERN CC1(C)C(=O)C[C@H]1c1cccc(F)c1 88177552 573100738 /nfs/dbraw/zinc/10/07/38/573100738.db2.gz ZOYRRCWYONNVFY-JTQLQIEISA-N 0 0 192.233 2.908 10 0 AFAERN CCSC(=S)c1ccc(O)cc1 238278850 573100754 /nfs/dbraw/zinc/10/07/54/573100754.db2.gz MTRLJMTYLILYPI-UHFFFAOYSA-N 0 0 198.312 2.821 10 0 AFAERN Cc1cc(C)cc([C@@H]2C[C@@H](O)[C@@H]2C)c1 88178770 573100771 /nfs/dbraw/zinc/10/07/71/573100771.db2.gz XUWUFKDJDHDLHN-RAIGVLPGSA-N 0 0 190.286 2.788 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]1c1ccccc1 88177599 573100784 /nfs/dbraw/zinc/10/07/84/573100784.db2.gz YMIGFLRLDKWJPO-WDEREUQCSA-N 0 0 174.243 2.769 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@@H]1c1cccnc1 88177942 573100796 /nfs/dbraw/zinc/10/07/96/573100796.db2.gz FSYVOLONRDMJTK-ZYHUDNBSSA-N 0 0 189.258 2.554 10 0 AFAERN Cc1ccc(Cl)c2c1O[C@H](C)C2=O 114643727 573100803 /nfs/dbraw/zinc/10/08/03/573100803.db2.gz DLPQJPZMEIVOKL-ZCFIWIBFSA-N 0 0 196.633 2.612 10 0 AFAERN C[C@@H]1[C@@H](O)C[C@@H]1c1ccccc1Cl 88178919 573100807 /nfs/dbraw/zinc/10/08/07/573100807.db2.gz FCVIBHNRUJEMQB-ARENWVFISA-N 0 0 196.677 2.824 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ccccc1OC 82561732 573100838 /nfs/dbraw/zinc/10/08/38/573100838.db2.gz XHWSBYZPMKMDDJ-SKDRFNHKSA-N 0 0 194.274 2.775 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]1c1ccncc1 88178117 573100846 /nfs/dbraw/zinc/10/08/46/573100846.db2.gz DOKNQSQSLDTAJN-JQWIXIFHSA-N 0 0 189.258 2.554 10 0 AFAERN Cc1ccc([C@@H]2C[C@H](O)[C@@H]2C)cc1F 88178656 573100851 /nfs/dbraw/zinc/10/08/51/573100851.db2.gz BTKTXYJCLIQYTE-UISBYWKRSA-N 0 0 194.249 2.618 10 0 AFAERN CC[C@H](CO)c1cccc(Cl)c1 85657495 573100857 /nfs/dbraw/zinc/10/08/57/573100857.db2.gz FOSIMBNAZPPBKI-MRVPVSSYSA-N 0 0 184.666 2.826 10 0 AFAERN CCCc1cc(OC)c(O)cc1C 238278350 573100876 /nfs/dbraw/zinc/10/08/76/573100876.db2.gz VNJSDIBBLLKSME-UHFFFAOYSA-N 0 0 180.247 2.662 10 0 AFAERN CC[C@H]1CC[C@@H](N(C)CC(F)F)C1 308474671 573011521 /nfs/dbraw/zinc/01/15/21/573011521.db2.gz LNQJVBWJCJHMFJ-DTWKUNHWSA-N 0 0 191.265 2.762 10 0 AFAERN CC[C@@H](CO)Cc1ccc(C)cc1C 259308379 573011530 /nfs/dbraw/zinc/01/15/30/573011530.db2.gz KJJOKXFOAGPFHN-GFCCVEGCSA-N 0 0 192.302 2.864 10 0 AFAERN CCC[C@H](C)C[C@H](O)c1coc(C)n1 308474378 573011656 /nfs/dbraw/zinc/01/16/56/573011656.db2.gz KMLVKGIPNSWPMO-KWQFWETISA-N 0 0 197.278 2.843 10 0 AFAERN CC(C)(C)c1ccc(F)c(C=O)c1 113541085 573011658 /nfs/dbraw/zinc/01/16/58/573011658.db2.gz JOYYRQXEHDCNGM-UHFFFAOYSA-N 0 0 180.222 2.936 10 0 AFAERN CCC1(CC(=O)[C@@H](C)OC)CCC1 308221908 573011673 /nfs/dbraw/zinc/01/16/73/573011673.db2.gz CWZJIOQPUBQNFQ-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN C1=CO[C@H](CNc2ccsc2)CC1 85527582 573059930 /nfs/dbraw/zinc/05/99/30/573059930.db2.gz ZFQQBBRLCFDOQQ-JTQLQIEISA-N 0 0 195.287 2.853 10 0 AFAERN Cc1ccc([C@@H]2C[C@H](O)[C@@H]2C)c(C)c1 88178552 573100892 /nfs/dbraw/zinc/10/08/92/573100892.db2.gz ZIENPXSOYRURJV-RTXFEEFZSA-N 0 0 190.286 2.788 10 0 AFAERN C/C=C/[C@H](C)c1cc(OC)ccc1N 211566186 573084232 /nfs/dbraw/zinc/08/42/32/573084232.db2.gz AVHFNDBZFLDLSV-MOVJSRMASA-N 0 0 191.274 2.957 10 0 AFAERN CC[C@@H]1C[C@@]1(O)C1CCC(C)CC1 123584055 573085532 /nfs/dbraw/zinc/08/55/32/573085532.db2.gz YHRUJOAWSLRXLF-RSJDFQLWSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@H](Cc1ccccc1NC)OC 238272828 573085593 /nfs/dbraw/zinc/08/55/93/573085593.db2.gz FCPNFQUYJIBKFB-LLVKDONJSA-N 0 0 193.290 2.696 10 0 AFAERN CC[C@@H](C)n1cc(C)[nH]c1=S 88154363 573085634 /nfs/dbraw/zinc/08/56/34/573085634.db2.gz IYUALJRIOFYESF-SSDOTTSWSA-N 0 0 170.281 2.825 10 0 AFAERN CC1(C)[C@@H](O)C[C@H]1c1ccccc1 88179192 573100580 /nfs/dbraw/zinc/10/05/80/573100580.db2.gz UZUANIOBIRRNEA-QWRGUYRKSA-N 0 0 176.259 2.561 10 0 AFAERN CC(C)[C@H](c1ccccc1)[C@H](C)O 85658653 573100586 /nfs/dbraw/zinc/10/05/86/573100586.db2.gz LWJMRMBPQVYSJE-JQWIXIFHSA-N 0 0 178.275 2.807 10 0 AFAERN CC[C@@H](C)C(=O)C(C)(C)C 82561374 573100590 /nfs/dbraw/zinc/10/05/90/573100590.db2.gz BUOFKUBCLQLWBP-SSDOTTSWSA-N 0 0 142.242 2.648 10 0 AFAERN CC(C)C[C@@H](C)C(=O)C[C@@H]1CCCO1 308501079 573100602 /nfs/dbraw/zinc/10/06/02/573100602.db2.gz WNGMYJRUSHCACP-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]1c1ccccc1F 88177727 573100603 /nfs/dbraw/zinc/10/06/03/573100603.db2.gz NRQSSWMMUBPWSO-WPRPVWTQSA-N 0 0 192.233 2.908 10 0 AFAERN CC(C)[C@@H](c1ccccc1)[C@H](C)O 85658651 573100604 /nfs/dbraw/zinc/10/06/04/573100604.db2.gz LWJMRMBPQVYSJE-CMPLNLGQSA-N 0 0 178.275 2.807 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1cccc(F)c1 82561730 573100628 /nfs/dbraw/zinc/10/06/28/573100628.db2.gz JTTXYCIEGZNUNM-LDYMZIIASA-N 0 0 182.238 2.905 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@@H]1c1ccccn1 88178114 573100638 /nfs/dbraw/zinc/10/06/38/573100638.db2.gz FIQBCUWNBBYVRQ-BXKDBHETSA-N 0 0 189.258 2.554 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]1c1ccsc1 88177911 573100668 /nfs/dbraw/zinc/10/06/68/573100668.db2.gz LMZMKSONDIIZKT-DTWKUNHWSA-N 0 0 180.272 2.831 10 0 AFAERN Cc1cccc([C@@H]2CC(=O)[C@H]2C)c1 88177152 573100675 /nfs/dbraw/zinc/10/06/75/573100675.db2.gz UIJVBSQZAMRLFO-GXSJLCMTSA-N 0 0 174.243 2.688 10 0 AFAERN CC[C@@H](C)c1noc(NC(C)(C)C)n1 82562830 573100687 /nfs/dbraw/zinc/10/06/87/573100687.db2.gz RFZXKNVLMNFFTJ-SSDOTTSWSA-N 0 0 197.282 2.794 10 0 AFAERN CC(C)C(C(C)C)[C@H](O)C1=CCCO1 308501433 573100702 /nfs/dbraw/zinc/10/07/02/573100702.db2.gz WQLDIBISKZELMS-GFCCVEGCSA-N 0 0 198.306 2.580 10 0 AFAERN CC[C@@H](C)[C@H](O)c1cccc(F)c1 82561728 573100703 /nfs/dbraw/zinc/10/07/03/573100703.db2.gz JTTXYCIEGZNUNM-KCJUWKMLSA-N 0 0 182.238 2.905 10 0 AFAERN Cc1ccsc1[C@@H]1CC(=O)[C@H]1C 88177352 573100716 /nfs/dbraw/zinc/10/07/16/573100716.db2.gz PZFJWGUHKTXMSC-JGVFFNPUSA-N 0 0 180.272 2.749 10 0 AFAERN Cc1cccc([C@@H]2CC(=O)[C@@H]2C)c1C 88177110 573100730 /nfs/dbraw/zinc/10/07/30/573100730.db2.gz CHBJLFQYOBODDY-ZYHUDNBSSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1cc(C)cc(C(=O)c2cc[nH]c2)c1 82564197 573106096 /nfs/dbraw/zinc/10/60/96/573106096.db2.gz LGOQUIWLFRUSFN-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN c1cc2cc3[nH]ccc3cc2cn1 141972429 573111025 /nfs/dbraw/zinc/11/10/25/573111025.db2.gz AWDQDYKOPKYYHK-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN Cc1cc2c(c(C)c1C)CCC2=O 143964622 573111076 /nfs/dbraw/zinc/11/10/76/573111076.db2.gz BQKGAIZUVJHRBR-UHFFFAOYSA-N 0 0 174.243 2.741 10 0 AFAERN C[C@H](c1ccncc1)[C@H](O)C(C)(C)C 85669681 573111082 /nfs/dbraw/zinc/11/10/82/573111082.db2.gz OPQIGBYRHGVGTG-KOLCDFICSA-N 0 0 193.290 2.592 10 0 AFAERN CC(C)Cn1cnc(Cl)c1Cl 114702541 573111140 /nfs/dbraw/zinc/11/11/40/573111140.db2.gz AKOKULAVHNIJMA-UHFFFAOYSA-N 0 0 193.077 2.846 10 0 AFAERN CCCc1ccc([C@H](C)O)s1 238285319 573111156 /nfs/dbraw/zinc/11/11/56/573111156.db2.gz RQHOVEFTTIMXFC-ZETCQYMHSA-N 0 0 170.277 2.754 10 0 AFAERN CC(=O)[C@H](C)c1ccc(F)c(F)c1 85662343 573111158 /nfs/dbraw/zinc/11/11/58/573111158.db2.gz NBLOACLGSIJFGF-LURJTMIESA-N 0 0 184.185 2.657 10 0 AFAERN CC[C@H]1C=CCc2c(O)ccc(O)c21 238285957 573111197 /nfs/dbraw/zinc/11/11/97/573111197.db2.gz JZQXIUHSKNHWMO-QMMMGPOBSA-N 0 0 190.242 2.704 10 0 AFAERN C[C@@H](c1ccccn1)[C@H](O)C(C)(C)C 85670861 573111265 /nfs/dbraw/zinc/11/12/65/573111265.db2.gz ZLRJVOZTJZRUTA-ONGXEEELSA-N 0 0 193.290 2.592 10 0 AFAERN CC(C)/C=C(/CC(C)C)[N+](=O)[O-] 211650291 573111301 /nfs/dbraw/zinc/11/13/01/573111301.db2.gz UULNVDYGCGLBFW-UITAMQMPSA-N 0 0 171.240 2.849 10 0 AFAERN CC[C@@H]1C(=O)CCCC[C@H]1C 238286961 573111305 /nfs/dbraw/zinc/11/13/05/573111305.db2.gz WKYFUBCJZPDMTG-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H](c1ccccn1)[C@H](O)C(C)(C)C 85670865 573111309 /nfs/dbraw/zinc/11/13/09/573111309.db2.gz ZLRJVOZTJZRUTA-KOLCDFICSA-N 0 0 193.290 2.592 10 0 AFAERN CCC(CC)CC[C@H](C)CO 128693028 573111334 /nfs/dbraw/zinc/11/13/34/573111334.db2.gz NONKFAJSARXWLK-VIFPVBQESA-N 0 0 158.285 2.831 10 0 AFAERN COc1ccc(SO)cc1Cl 259333396 573113741 /nfs/dbraw/zinc/11/37/41/573113741.db2.gz XESCAOYARIJXCF-UHFFFAOYSA-N 0 0 190.651 2.914 10 0 AFAERN Cc1coc(CSC(C)C)n1 257944928 573113768 /nfs/dbraw/zinc/11/37/68/573113768.db2.gz WBOHXGZKGLOEDI-UHFFFAOYSA-N 0 0 171.265 2.625 10 0 AFAERN CC[C@H](C)OC1=C(C)C(C)(C)C[C@@H]1O 238285742 573113776 /nfs/dbraw/zinc/11/37/76/573113776.db2.gz TZNPEAWPCYDLKT-WPRPVWTQSA-N 0 0 198.306 2.866 10 0 AFAERN CC(C)n1c(C2CC2)cnc1Cl 258530935 573113790 /nfs/dbraw/zinc/11/37/90/573113790.db2.gz MPUZTIUHQGBNHX-UHFFFAOYSA-N 0 0 184.670 2.995 10 0 AFAERN COCc1csc2cc(O)ccc12 257944021 573113833 /nfs/dbraw/zinc/11/38/33/573113833.db2.gz GJDBNVXZIKURFG-UHFFFAOYSA-N 0 0 194.255 2.753 10 0 AFAERN C[C@H]1CCN(C(=O)C(C)(C)C)[C@@H](C)C1 82738156 573166604 /nfs/dbraw/zinc/16/66/04/573166604.db2.gz CZODELAJRABOAZ-UWVGGRQHSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C=C(C)C)[C@@H](C)CO 238289710 573139445 /nfs/dbraw/zinc/13/94/45/573139445.db2.gz WUVMBXXIPBEIAX-VHSXEESVSA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)=CCn1cccc1[C@@H](C)O 85833647 573166624 /nfs/dbraw/zinc/16/66/24/573166624.db2.gz VLHHWZTYGAJAJO-SNVBAGLBSA-N 0 0 179.263 2.508 10 0 AFAERN C[C@@H](C1CCCC1)N(C)CC(F)F 308287672 573151217 /nfs/dbraw/zinc/15/12/17/573151217.db2.gz ZSVJDFYXHALDJQ-QMMMGPOBSA-N 0 0 191.265 2.762 10 0 AFAERN CC(C)CN(C(=O)C(C)(C)C)C1CC1 82738122 573166640 /nfs/dbraw/zinc/16/66/40/573166640.db2.gz WKTIBFXWBWKOOM-UHFFFAOYSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H]1c2ccc(O)cc2NC[C@H]1C 238297654 573166673 /nfs/dbraw/zinc/16/66/73/573166673.db2.gz GGEVJXKOOGNSMS-PSASIEDQSA-N 0 0 191.274 2.947 10 0 AFAERN CN(c1cccc(Cl)c1)C1CC1 238296630 573166696 /nfs/dbraw/zinc/16/66/96/573166696.db2.gz SFJDLCXGLXQLHR-UHFFFAOYSA-N 0 0 181.666 2.939 10 0 AFAERN CCc1ccc(C[C@H](O)C(C)C)cc1 49962436 573166717 /nfs/dbraw/zinc/16/67/17/573166717.db2.gz FDLJBXMKSLSVPO-ZDUSSCGKSA-N 0 0 192.302 2.808 10 0 AFAERN CCCCC(=O)[C@@](C)(CC)OCC 159336939 573166741 /nfs/dbraw/zinc/16/67/41/573166741.db2.gz PTJCMSAUFFTKDN-LLVKDONJSA-N 0 0 186.295 2.951 10 0 AFAERN CCC1SC=CC1=S 115193396 573166761 /nfs/dbraw/zinc/16/67/61/573166761.db2.gz OPZAQEQVJDQPRE-UHFFFAOYSA-N 0 0 144.264 2.599 10 0 AFAERN CC[C@H](C)COC(=O)C=C1CCC1 308289739 573166849 /nfs/dbraw/zinc/16/68/49/573166849.db2.gz GJKVZBXUUODQLV-VIFPVBQESA-N 0 0 182.263 2.686 10 0 AFAERN CCC(C)(C)OC(=O)[C@H](F)C(C)C 308289379 573166863 /nfs/dbraw/zinc/16/68/63/573166863.db2.gz GCSLGXYCOATTMS-MRVPVSSYSA-N 0 0 190.258 2.712 10 0 AFAERN CC(C)(O)c1cc2ccc(F)cc2[nH]1 258236518 573166871 /nfs/dbraw/zinc/16/68/71/573166871.db2.gz QHZXHMXSXLCZKS-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN CCC(C)(C)N(C)C(=O)C(C)(C)C 82738178 573166898 /nfs/dbraw/zinc/16/68/98/573166898.db2.gz MDTHKLLDAPNJBM-UHFFFAOYSA-N 0 0 185.311 2.680 10 0 AFAERN CCc1ccc(C[C@@H](O)C2CC2)cc1 49962455 573166906 /nfs/dbraw/zinc/16/69/06/573166906.db2.gz ICBCDXLTSORDLN-CYBMUJFWSA-N 0 0 190.286 2.562 10 0 AFAERN CCOC(CC)(CC)C(=O)C1CCC1 159348100 573168210 /nfs/dbraw/zinc/16/82/10/573168210.db2.gz WEMVSUPWSQMALX-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)=CCn1cccc1[C@H](C)O 85833643 573168225 /nfs/dbraw/zinc/16/82/25/573168225.db2.gz VLHHWZTYGAJAJO-JTQLQIEISA-N 0 0 179.263 2.508 10 0 AFAERN CCC[C@H](O)Cc1ccc(CC)cc1 49962452 573168241 /nfs/dbraw/zinc/16/82/41/573168241.db2.gz ZSTVPKSGXDZHIO-ZDUSSCGKSA-N 0 0 192.302 2.953 10 0 AFAERN CC[C@]1(C)CCC(=O)[C@@H](C)C1 238303569 573168293 /nfs/dbraw/zinc/16/82/93/573168293.db2.gz LDHNYSUPJSLOKN-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN C=C=C(c1ccccc1)[C@@H](O)CC 238303304 573168318 /nfs/dbraw/zinc/16/83/18/573168318.db2.gz YBXORGZJMAGEGV-LBPRGKRZSA-N 0 0 174.243 2.626 10 0 AFAERN CCc1ccc(CC[C@H](O)CC)cc1 49962885 573169556 /nfs/dbraw/zinc/16/95/56/573169556.db2.gz PVPSKSHANOPBRZ-CYBMUJFWSA-N 0 0 192.302 2.953 10 0 AFAERN COc1ccc(SO)c(C)c1 259351846 573169560 /nfs/dbraw/zinc/16/95/60/573169560.db2.gz YUDLKTAINWUSGO-UHFFFAOYSA-N 0 0 170.233 2.569 10 0 AFAERN Nc1cccc(N)c1Nc1ccccc1 238626482 573183510 /nfs/dbraw/zinc/18/35/10/573183510.db2.gz FOUAAVRPEFTVJP-UHFFFAOYSA-N 0 0 199.257 2.595 10 0 AFAERN C=Cc1cccc2c1CCCC2=O 104683135 573183514 /nfs/dbraw/zinc/18/35/14/573183514.db2.gz RUBBQRJCAUTWID-UHFFFAOYSA-N 0 0 172.227 2.849 10 0 AFAERN Cc1cc(OC2CCC2)c(N)cc1F 235897755 573183533 /nfs/dbraw/zinc/18/35/33/573183533.db2.gz UOQZJBJUIIAISC-UHFFFAOYSA-N 0 0 195.237 2.648 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1cc(C)ccn1 233340369 573183589 /nfs/dbraw/zinc/18/35/89/573183589.db2.gz SKFMWELAQFKMLY-CMPLNLGQSA-N 0 0 193.290 2.860 10 0 AFAERN CCc1c(F)ccc2c1C(=O)CC2 104682536 573183605 /nfs/dbraw/zinc/18/36/05/573183605.db2.gz ZKMLBJILOWBQJW-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN Clc1cccc2c1N[C@H]1C[C@@H]21 257961814 573184684 /nfs/dbraw/zinc/18/46/84/573184684.db2.gz UJTXKBQBHANROK-XPUUQOCRSA-N 0 0 165.623 2.621 10 0 AFAERN Fc1ccc2c(c1)C1(CCN2)CC1 257962157 573183885 /nfs/dbraw/zinc/18/38/85/573183885.db2.gz XMRYAKBBAKEBIG-UHFFFAOYSA-N 0 0 177.222 2.673 10 0 AFAERN CCc1ccc(F)c2c1C(=O)CCC2 104684812 573183918 /nfs/dbraw/zinc/18/39/18/573183918.db2.gz NKKQICQGWZYZEM-UHFFFAOYSA-N 0 0 192.233 2.907 10 0 AFAERN CN1c2nc(Cl)ccc2CC1(C)C 238306355 573183993 /nfs/dbraw/zinc/18/39/93/573183993.db2.gz NBVMEFPAIBUKET-UHFFFAOYSA-N 0 0 196.681 2.506 10 0 AFAERN CC(C)[C@@H](CO)SC1CCCC1 259356344 573184054 /nfs/dbraw/zinc/18/40/54/573184054.db2.gz ZESOXNPUKCFAGB-SNVBAGLBSA-N 0 0 188.336 2.679 10 0 AFAERN c1ccc2c(c1)NSCS2 104682979 573184134 /nfs/dbraw/zinc/18/41/34/573184134.db2.gz FBBUSBNMZYVXFS-UHFFFAOYSA-N 0 0 169.274 2.810 10 0 AFAERN [S-]c1cccc([C@@H]2CCCC[NH2+]2)c1 104684421 573184227 /nfs/dbraw/zinc/18/42/27/573184227.db2.gz WNQNBAHNLWOYKY-NSHDSACASA-N 0 0 193.315 2.790 10 0 AFAERN CCc1c(F)ccc2cnsc12 238299865 573184304 /nfs/dbraw/zinc/18/43/04/573184304.db2.gz FZNVAUPSTBKRHU-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CC[C@H](C)[C@@H]1CC[C@@H](O)[C@@H](C)C1 238300046 573184315 /nfs/dbraw/zinc/18/43/15/573184315.db2.gz KMVUSYWAKBEXSL-UKKRHICBSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1cc(F)cc2c1C(=O)CCC2 104684308 573184318 /nfs/dbraw/zinc/18/43/18/573184318.db2.gz ATBUNQXYPKPZSK-UHFFFAOYSA-N 0 0 192.233 2.907 10 0 AFAERN CC(=O)[C@H](F)CC1CCCCC1 257960804 573184365 /nfs/dbraw/zinc/18/43/65/573184365.db2.gz XHTUCVYKIUPXLB-SNVBAGLBSA-N 0 0 172.243 2.884 10 0 AFAERN CC[C@H](C)CN(C)c1nc(C)cs1 308295842 573184598 /nfs/dbraw/zinc/18/45/98/573184598.db2.gz JVVWJMUZGYEMRG-QMMMGPOBSA-N 0 0 198.335 2.934 10 0 AFAERN CC(=O)CNc1ccc(C)c(Cl)c1 258572216 573184649 /nfs/dbraw/zinc/18/46/49/573184649.db2.gz DEWBCRJPVSHPRA-UHFFFAOYSA-N 0 0 197.665 2.649 10 0 AFAERN CCONCC[C@H]1CCC[C@H](C)C1 308305671 573200183 /nfs/dbraw/zinc/20/01/83/573200183.db2.gz NSAIRMFZGWWISP-WDEREUQCSA-N 0 0 185.311 2.744 10 0 AFAERN CC1=C[C@H](C(=O)C(C)C)CCC1 224850806 573199492 /nfs/dbraw/zinc/19/94/92/573199492.db2.gz RDOIPTBPLNMWMT-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CCc1c(O)cc(C)c(O)c1CC 238302578 573199516 /nfs/dbraw/zinc/19/95/16/573199516.db2.gz PJFVZBXJBPFEAL-UHFFFAOYSA-N 0 0 180.247 2.531 10 0 AFAERN Cc1cccc2c([C@H](C)O)coc12 257967858 573199690 /nfs/dbraw/zinc/19/96/90/573199690.db2.gz UCCGIGMUXXMDLC-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN CCONCC[C@@H]1CCC[C@@H](C)C1 308305667 573200164 /nfs/dbraw/zinc/20/01/64/573200164.db2.gz NSAIRMFZGWWISP-MNOVXSKESA-N 0 0 185.311 2.744 10 0 AFAERN C/C=C(\C)C(=O)O[C@H](C)C=C(C)C 308304599 573200278 /nfs/dbraw/zinc/20/02/78/573200278.db2.gz NQBWSRBCICTAGD-OLKPEBQYSA-N 0 0 182.263 2.851 10 0 AFAERN CC[C@H](C)C[NH2+]CC(F)(F)C1CC1 308305292 573200398 /nfs/dbraw/zinc/20/03/98/573200398.db2.gz OAQBGUSEKWKGRH-QMMMGPOBSA-N 0 0 191.265 2.667 10 0 AFAERN CC[C@@H](C)CN(C)c1cc[nH+]cc1 308304893 573200430 /nfs/dbraw/zinc/20/04/30/573200430.db2.gz NVNSYJLTNXXDSV-SNVBAGLBSA-N 0 0 178.279 2.564 10 0 AFAERN CC[C@H](C)CN(C)c1cc[nH+]cc1 308304892 573200439 /nfs/dbraw/zinc/20/04/39/573200439.db2.gz NVNSYJLTNXXDSV-JTQLQIEISA-N 0 0 178.279 2.564 10 0 AFAERN C/C=C\C(=O)NC(C)(C)C(C)(C)C 308304790 573200462 /nfs/dbraw/zinc/20/04/62/573200462.db2.gz MWZIJHXMWDVVBH-FPLPWBNLSA-N 0 0 183.295 2.503 10 0 AFAERN C/C=C(/C)C(=O)O[C@@H](C)C=C(C)C 308304598 573200498 /nfs/dbraw/zinc/20/04/98/573200498.db2.gz NQBWSRBCICTAGD-MBACFSSFSA-N 0 0 182.263 2.851 10 0 AFAERN Clc1cnc(C2CCCC2)o1 258584604 573200526 /nfs/dbraw/zinc/20/05/26/573200526.db2.gz RDSTVWJXPVLIEN-UHFFFAOYSA-N 0 0 171.627 2.986 10 0 AFAERN CCc1cc(-c2ccccc2O)on1 238312041 573200595 /nfs/dbraw/zinc/20/05/95/573200595.db2.gz ZUOUFNPGHUIRDS-UHFFFAOYSA-N 0 0 189.214 2.610 10 0 AFAERN CC[C@@H](F)C[N@@H+]1CCC[C@@H](CC)C1 308306470 573200623 /nfs/dbraw/zinc/20/06/23/573200623.db2.gz OUHNHIJSTDTNTA-GHMZBOCLSA-N 0 0 187.302 2.857 10 0 AFAERN CC[C@H]1CCC[N@@H+](C[C@H](F)CC)C1 308306473 573200655 /nfs/dbraw/zinc/20/06/55/573200655.db2.gz OUHNHIJSTDTNTA-WDEREUQCSA-N 0 0 187.302 2.857 10 0 AFAERN Cc1ccccc1Oc1ncco1 257969788 573200749 /nfs/dbraw/zinc/20/07/49/573200749.db2.gz ZSFGKCPPFUOAJD-UHFFFAOYSA-N 0 0 175.187 2.775 10 0 AFAERN CC[C@H](CO)[C@H]1CCC[C@@H](C)C1 238310869 573200804 /nfs/dbraw/zinc/20/08/04/573200804.db2.gz XCUQVCOTZDSCPL-MXWKQRLJSA-N 0 0 170.296 2.831 10 0 AFAERN Cc1cnc([C@H]2CC2(C)C)s1 235925000 573200853 /nfs/dbraw/zinc/20/08/53/573200853.db2.gz NFNWUDBQWOPDRS-SSDOTTSWSA-N 0 0 167.277 2.965 10 0 AFAERN CCc1cc(C)cc(C2CC2)c1CO 115597816 573200882 /nfs/dbraw/zinc/20/08/82/573200882.db2.gz ZKCOZIXTDFBKPU-UHFFFAOYSA-N 0 0 190.286 2.927 10 0 AFAERN CC(C)(F)c1cccc(CCCO)c1 257968936 573200910 /nfs/dbraw/zinc/20/09/10/573200910.db2.gz COZTZZKSYGIEJE-UHFFFAOYSA-N 0 0 196.265 2.816 10 0 AFAERN CCSc1nc2ccc(O)cc2o1 238311134 573200966 /nfs/dbraw/zinc/20/09/66/573200966.db2.gz NYYRYLLRJFTGIW-UHFFFAOYSA-N 0 0 195.243 2.645 10 0 AFAERN CNc1cc2ccccc2nc1Cl 238311319 573201019 /nfs/dbraw/zinc/20/10/19/573201019.db2.gz YLWFPUFLEYHKJE-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CC(=O)C1(CC(C)C)CCC(=O)CC1 258584764 573202872 /nfs/dbraw/zinc/20/28/72/573202872.db2.gz MQMCIYVWSKKYMR-UHFFFAOYSA-N 0 0 196.290 2.751 10 0 AFAERN Cn1nccc1-c1coc2ccccc12 259370498 573202939 /nfs/dbraw/zinc/20/29/39/573202939.db2.gz VLROLIKNKMDVJO-UHFFFAOYSA-N 0 0 198.225 2.833 10 0 AFAERN CC(=O)c1cnn(C(C)C)c1C(C)C 257749017 573203044 /nfs/dbraw/zinc/20/30/44/573203044.db2.gz RMMDJHWJPNGTKA-UHFFFAOYSA-N 0 0 194.278 2.790 10 0 AFAERN CC(=O)C[C@H](C)c1cccc(F)c1 82806985 573203048 /nfs/dbraw/zinc/20/30/48/573203048.db2.gz KFBNZMAWODGURP-QMMMGPOBSA-N 0 0 180.222 2.908 10 0 AFAERN F[C@@H]1CNc2c(Cl)cccc21 257969377 573203054 /nfs/dbraw/zinc/20/30/54/573203054.db2.gz YLHURAQBGXBWJA-SSDOTTSWSA-N 0 0 171.602 2.776 10 0 AFAERN CC[C@@H]1CCCC[C@H](C)C1=O 238311589 573203074 /nfs/dbraw/zinc/20/30/74/573203074.db2.gz HULACEBZWUTYLO-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(C)c(NC#N)c(Cl)c1 259371450 573203147 /nfs/dbraw/zinc/20/31/47/573203147.db2.gz VJNQZQLBBUQQJK-UHFFFAOYSA-N 0 0 180.638 2.850 10 0 AFAERN Cc1cccc(NC2(C)CCC2)c1N 235929939 573203357 /nfs/dbraw/zinc/20/33/57/573203357.db2.gz YOBHLJLBHOQKDB-UHFFFAOYSA-N 0 0 190.290 2.932 10 0 AFAERN CC(=O)C[C@@H](C)C(C)(C)C 82807070 573203358 /nfs/dbraw/zinc/20/33/58/573203358.db2.gz JKLGTCDGZXMSMS-SSDOTTSWSA-N 0 0 142.242 2.648 10 0 AFAERN CC(C)CCCCCC(=O)[C@H](C)O 225872344 573203396 /nfs/dbraw/zinc/20/33/96/573203396.db2.gz IRMRNZQSJNDGPT-JTQLQIEISA-N 0 0 186.295 2.543 10 0 AFAERN COCc1cc2cc(C)ccc2n1C 257969747 573203447 /nfs/dbraw/zinc/20/34/47/573203447.db2.gz ZQYGIWPIGXOCRQ-UHFFFAOYSA-N 0 0 189.258 2.633 10 0 AFAERN CC[C@H](O)[C@@H]1CC2CCC1CC2 238311533 573203517 /nfs/dbraw/zinc/20/35/17/573203517.db2.gz WSYQSOUBDGDSNV-LXKPXOPUSA-N 0 0 168.280 2.584 10 0 AFAERN CNc1cc2ccc(C)cc2n1C 238311146 573203569 /nfs/dbraw/zinc/20/35/69/573203569.db2.gz WLYBHPLFBZVYPE-UHFFFAOYSA-N 0 0 174.247 2.528 10 0 AFAERN F/C(=C\Cl)C(F)(F)Cl 115590567 573205386 /nfs/dbraw/zinc/20/53/86/573205386.db2.gz BGVYPLBZJNTJEH-UPHRSURJSA-N 0 0 164.941 2.868 10 0 AFAERN C[C@H](O)C1(Cc2ccccc2F)CC1 235530206 573205419 /nfs/dbraw/zinc/20/54/19/573205419.db2.gz ZFSIPUVBRYXPAF-VIFPVBQESA-N 0 0 194.249 2.529 10 0 AFAERN Cc1cc2cc(C(C)(C)O)ccc2[nH]1 257964614 573205594 /nfs/dbraw/zinc/20/55/94/573205594.db2.gz GAYAVFFFTMFJNO-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN CCCCCCC[C@@H](O)c1cn[nH]c1 379608772 573205621 /nfs/dbraw/zinc/20/56/21/573205621.db2.gz RRRSZCOCUNSYFN-LLVKDONJSA-N 0 0 196.294 2.804 10 0 AFAERN CCC[C@H](C)Oc1cnn(CCC)c1 233343346 573205811 /nfs/dbraw/zinc/20/58/11/573205811.db2.gz ROPBUAAQDTVQIB-JTQLQIEISA-N 0 0 196.294 2.861 10 0 AFAERN Cc1cccc(-c2cc[nH]c2C=O)c1 74281587 573205812 /nfs/dbraw/zinc/20/58/12/573205812.db2.gz SXDCDTKPZNWCLL-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN Cc1ncc([C@H](O)C2CCCC2)s1 235959637 573205814 /nfs/dbraw/zinc/20/58/14/573205814.db2.gz OKFBMWLKZYDOSW-SNVBAGLBSA-N 0 0 197.303 2.675 10 0 AFAERN CC(=O)C[C@@H](C)c1cccc(F)c1 82806987 573205816 /nfs/dbraw/zinc/20/58/16/573205816.db2.gz KFBNZMAWODGURP-MRVPVSSYSA-N 0 0 180.222 2.908 10 0 AFAERN CCCCCCC[C@H](O)c1cn[nH]c1 379608773 573205819 /nfs/dbraw/zinc/20/58/19/573205819.db2.gz RRRSZCOCUNSYFN-NSHDSACASA-N 0 0 196.294 2.804 10 0 AFAERN CCO[P@](C)(=O)/C=C/Cl 238312477 573205933 /nfs/dbraw/zinc/20/59/33/573205933.db2.gz LOVARJFXTWNODZ-MOVJSRMASA-N 0 0 168.560 2.641 10 0 AFAERN OC1([C@H]2CCCCS2)CCCC1 257964951 573205972 /nfs/dbraw/zinc/20/59/72/573205972.db2.gz JPVLGGACHZVZPS-SECBINFHSA-N 0 0 186.320 2.577 10 0 AFAERN C[C@@H](O)C[C@@H](C)c1ccccc1F 82811701 573208547 /nfs/dbraw/zinc/20/85/47/573208547.db2.gz UAVKKUHBPNRFEI-RKDXNWHRSA-N 0 0 182.238 2.700 10 0 AFAERN N=C(N)C(F)(F)C1CCCCCC1 259603507 573208613 /nfs/dbraw/zinc/20/86/13/573208613.db2.gz DGQPKCXANWPEOM-UHFFFAOYSA-N 0 0 190.237 2.528 10 0 AFAERN C[C@H](O)C[C@@H](C)c1ccccc1F 82811703 573208620 /nfs/dbraw/zinc/20/86/20/573208620.db2.gz UAVKKUHBPNRFEI-BDAKNGLRSA-N 0 0 182.238 2.700 10 0 AFAERN C[C@@H](O)C[C@@H](C)C1CCCCC1 82811436 573208646 /nfs/dbraw/zinc/20/86/46/573208646.db2.gz LCWBIZXOSALLGR-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)(O)c1ccc2[nH]ccc2c1F 257964852 573208658 /nfs/dbraw/zinc/20/86/58/573208658.db2.gz CBLRCFCGFJTXCP-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN CCOCSc1cccc(N)c1C 85933979 573208698 /nfs/dbraw/zinc/20/86/98/573208698.db2.gz SFWUGOQIQPDJBI-UHFFFAOYSA-N 0 0 197.303 2.663 10 0 AFAERN CCCC1(CO)CCC=CCC1 642876677 573208711 /nfs/dbraw/zinc/20/87/11/573208711.db2.gz OUHZBKPIONDGAK-UHFFFAOYSA-N 0 0 168.280 2.895 10 0 AFAERN C[C@@H]1CC2CCC1CC2 115702871 573208721 /nfs/dbraw/zinc/20/87/21/573208721.db2.gz WNPVIRUJGYEGOJ-AFPNSQJFSA-N 0 0 124.227 2.833 10 0 AFAERN C[C@H](O)C[C@H](C)c1ccccc1F 82811702 573208724 /nfs/dbraw/zinc/20/87/24/573208724.db2.gz UAVKKUHBPNRFEI-IUCAKERBSA-N 0 0 182.238 2.700 10 0 AFAERN CCCSc1ccc(N)c(F)c1 85936077 573208820 /nfs/dbraw/zinc/20/88/20/573208820.db2.gz ZRSPENOEOAWMLM-UHFFFAOYSA-N 0 0 185.267 2.910 10 0 AFAERN CC[C@H](O)[C@]1(C)CC=CCC1 238312450 573208829 /nfs/dbraw/zinc/20/88/29/573208829.db2.gz AIQHEZBFQNAGSB-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN CCc1cccc2c(C)c(CO)[nH]c12 115668640 573208861 /nfs/dbraw/zinc/20/88/61/573208861.db2.gz QECRYRMJQWBGAZ-UHFFFAOYSA-N 0 0 189.258 2.531 10 0 AFAERN CC[C@H](C)c1c[nH]c(C)c1 104709178 573208914 /nfs/dbraw/zinc/20/89/14/573208914.db2.gz NYSXGFKYUGUKRZ-ZETCQYMHSA-N 0 0 137.226 2.837 10 0 AFAERN C[C@@H](O)C[C@@H](C)C1CCCC1 82811824 573208921 /nfs/dbraw/zinc/20/89/21/573208921.db2.gz PYBSKIZRAVFKDS-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](O)[C@@]1(c2ccccc2)C[C@@H]1C 238312590 573209057 /nfs/dbraw/zinc/20/90/57/573209057.db2.gz AYWCYCVIZGTAKR-DRZSPHRISA-N 0 0 190.286 2.735 10 0 AFAERN Cc1cc(SC(F)F)ccc1N 85931514 573209077 /nfs/dbraw/zinc/20/90/77/573209077.db2.gz GCACEUOBCZXFDI-UHFFFAOYSA-N 0 0 189.230 2.892 10 0 AFAERN CC[C@@H](C)[C@H](O)c1coc(C)c1 123840688 573209099 /nfs/dbraw/zinc/20/90/99/573209099.db2.gz JMCSEKNBQDEXRD-XCBNKYQSSA-N 0 0 168.236 2.668 10 0 AFAERN C/C=C/CSc1cccc(N)c1 85927687 573209123 /nfs/dbraw/zinc/20/91/23/573209123.db2.gz KKRYQJLVRUXKEY-NSCUHMNNSA-N 0 0 179.288 2.937 10 0 AFAERN CCc1cc2c(cc1[C@@H](C)O)CCC2 238312705 573209175 /nfs/dbraw/zinc/20/91/75/573209175.db2.gz JHNMISOIFPMTQN-SECBINFHSA-N 0 0 190.286 2.791 10 0 AFAERN C[C@H]1C[C@@]1(C)CNc1ccc(O)cc1 714650211 573209180 /nfs/dbraw/zinc/20/91/80/573209180.db2.gz AYUFDPGOLCNXDP-CABZTGNLSA-N 0 0 191.274 2.850 10 0 AFAERN CC(=O)CC(C)(C)c1ccoc1 82816249 573209205 /nfs/dbraw/zinc/20/92/05/573209205.db2.gz MINHAKUTEGYWNF-UHFFFAOYSA-N 0 0 166.220 2.536 10 0 AFAERN C[C@H](O)C[C@H](C)c1cccs1 82811923 573209249 /nfs/dbraw/zinc/20/92/49/573209249.db2.gz JAIXROKSNSNESZ-YUMQZZPRSA-N 0 0 170.277 2.623 10 0 AFAERN CC(=O)CC(C)(C)c1ccc(C)nc1 82816250 573209345 /nfs/dbraw/zinc/20/93/45/573209345.db2.gz NSGJKQJLMWQUKT-UHFFFAOYSA-N 0 0 191.274 2.647 10 0 AFAERN CCC(=O)c1cc(O)cc(Cl)c1 115687040 573213338 /nfs/dbraw/zinc/21/33/38/573213338.db2.gz STNHVRRKQKEWRB-UHFFFAOYSA-N 0 0 184.622 2.638 10 0 AFAERN C/C(=C/[C@H](C)O)c1cccc(F)c1F 235535458 573212730 /nfs/dbraw/zinc/21/27/30/573212730.db2.gz IPVOQSZETINGRE-UAPHAKCISA-N 0 0 198.212 2.749 10 0 AFAERN CC(C)CS[C@H]1CCCC(=O)C1 82818354 573212753 /nfs/dbraw/zinc/21/27/53/573212753.db2.gz YPBRIGXUNQOSSQ-JTQLQIEISA-N 0 0 186.320 2.887 10 0 AFAERN CC(=O)CCCNc1cccc(C)c1 258587328 573212788 /nfs/dbraw/zinc/21/27/88/573212788.db2.gz FVSQLHGSAQVHJJ-UHFFFAOYSA-N 0 0 191.274 2.776 10 0 AFAERN Cc1ncccc1NC[C@@]1(C)C[C@@H]1C 714651082 573212862 /nfs/dbraw/zinc/21/28/62/573212862.db2.gz CVPWCUDMEYZVCQ-JOYOIKCWSA-N 0 0 190.290 2.848 10 0 AFAERN CCN(CC)c1cccc([C@H](C)O)c1 257970976 573212992 /nfs/dbraw/zinc/21/29/92/573212992.db2.gz CTVCPSGIUKZGRD-JTQLQIEISA-N 0 0 193.290 2.586 10 0 AFAERN Cc1cc2ccc([C@@H](C)O)cc2[nH]1 257972238 573213018 /nfs/dbraw/zinc/21/30/18/573213018.db2.gz GMVWQPLNGIKAFR-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN CCc1cc(CO)cc(Cl)c1F 257971062 573213058 /nfs/dbraw/zinc/21/30/58/573213058.db2.gz CVUBONINZKLKRX-UHFFFAOYSA-N 0 0 188.629 2.534 10 0 AFAERN CC[C@@]12CCCC(=O)[C@H]1CCC2 238313790 573213074 /nfs/dbraw/zinc/21/30/74/573213074.db2.gz XDJCLNJQOKLEIU-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@H](CCC(C)C)C(=O)OC 259384171 573224920 /nfs/dbraw/zinc/22/49/20/573224920.db2.gz NGYHCHBFZOQHBT-SECBINFHSA-N 0 0 172.268 2.622 10 0 AFAERN CCc1cc(C)ccc1COC 238320805 573224963 /nfs/dbraw/zinc/22/49/63/573224963.db2.gz OOZILQKNXRYIFW-UHFFFAOYSA-N 0 0 164.248 2.704 10 0 AFAERN C[C@H]1C[C@@](O)(C(F)(F)F)CC[C@H]1C 82839153 573225084 /nfs/dbraw/zinc/22/50/84/573225084.db2.gz UNOXKSALOJTZPC-GJMOJQLCSA-N 0 0 196.212 2.736 10 0 AFAERN Cc1ccc(CC2CCC(O)CC2)o1 259038863 573225111 /nfs/dbraw/zinc/22/51/11/573225111.db2.gz CLAIZUCHYARMJG-UHFFFAOYSA-N 0 0 194.274 2.682 10 0 AFAERN Clc1nccnc1C1CCCC1 115807787 573225166 /nfs/dbraw/zinc/22/51/66/573225166.db2.gz BYZFNILQABDLHN-UHFFFAOYSA-N 0 0 182.654 2.788 10 0 AFAERN C[C@H]1C[C@@](O)(c2ccco2)CC[C@H]1C 82838846 573225189 /nfs/dbraw/zinc/22/51/89/573225189.db2.gz HPHVICRBLSODNN-JFGNBEQYSA-N 0 0 194.274 2.923 10 0 AFAERN Nc1ccc(O)cc1C1CCCC1 259382330 573225197 /nfs/dbraw/zinc/22/51/97/573225197.db2.gz HDOOCTHNUCXUKL-UHFFFAOYSA-N 0 0 177.247 2.632 10 0 AFAERN C[C@H]1C[C@@](O)(c2ccoc2)CC[C@H]1C 82838601 573225217 /nfs/dbraw/zinc/22/52/17/573225217.db2.gz CYTSVWGEPXMAFZ-JFGNBEQYSA-N 0 0 194.274 2.923 10 0 AFAERN OCc1cccc([C@H]2CCC[C@@H]2F)c1 259038144 573225306 /nfs/dbraw/zinc/22/53/06/573225306.db2.gz ABFCBIBANBSQJF-NEPJUHHUSA-N 0 0 194.249 2.785 10 0 AFAERN Cc1ccc(-c2ncoc2C)cc1O 259038217 573225330 /nfs/dbraw/zinc/22/53/30/573225330.db2.gz ABHITUONHNNUDV-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CC[C@H](C)[C@@H](C)C1 82841024 573225615 /nfs/dbraw/zinc/22/56/15/573225615.db2.gz APLKEOBEXVJKIZ-FSZOTQKASA-N 0 0 198.306 2.805 10 0 AFAERN OCC=C(CC1CC1)CC1CC1 238632256 573225671 /nfs/dbraw/zinc/22/56/71/573225671.db2.gz QRDTYWGCRBMPRO-UHFFFAOYSA-N 0 0 166.264 2.505 10 0 AFAERN C[C@H]1C[C@@](N)(C(F)(F)F)CC[C@H]1C 82839386 573225739 /nfs/dbraw/zinc/22/57/39/573225739.db2.gz BMZMOUKOLPLRBJ-GJMOJQLCSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@H]1C[C@H]1COC(=O)c1cccs1 308312243 573225755 /nfs/dbraw/zinc/22/57/55/573225755.db2.gz SDPNZJJQWJXFNG-YUMQZZPRSA-N 0 0 196.271 2.561 10 0 AFAERN C[C@@H]1CCC(C(=O)C(C)(C)C)=C(O)C1 104836755 573225762 /nfs/dbraw/zinc/22/57/62/573225762.db2.gz KPCQDPTYWVZONZ-BDAKNGLRSA-N 0 0 196.290 2.607 10 0 AFAERN Cc1cc(C)c(-c2c(C)c2=O)c(C)c1 258598592 573225806 /nfs/dbraw/zinc/22/58/06/573225806.db2.gz ACKJJPKGCMMYEQ-UHFFFAOYSA-N 0 0 186.254 2.823 10 0 AFAERN OCc1cccc([C@@H]2CCC[C@H]2F)c1 259038153 573225835 /nfs/dbraw/zinc/22/58/35/573225835.db2.gz ABFCBIBANBSQJF-NWDGAFQWSA-N 0 0 194.249 2.785 10 0 AFAERN Cc1ccsc1[C@@H](CO)C(C)C 259384516 573225836 /nfs/dbraw/zinc/22/58/36/573225836.db2.gz VZQWNXBUFMOABH-VIFPVBQESA-N 0 0 184.304 2.788 10 0 AFAERN CC(C)[C@@]1(O)CC[C@@H](C)[C@@H](C)C1 82838702 573225963 /nfs/dbraw/zinc/22/59/63/573225963.db2.gz JYFYISWAVZZGNP-OUAUKWLOSA-N 0 0 170.296 2.830 10 0 AFAERN COCc1ccc2c(c1)CCCS2 259381668 573225981 /nfs/dbraw/zinc/22/59/81/573225981.db2.gz NFUUHWNNWMJZHT-UHFFFAOYSA-N 0 0 194.299 2.871 10 0 AFAERN C[C@H]1C[C@@H]1COC(=O)c1cccs1 308312241 573226049 /nfs/dbraw/zinc/22/60/49/573226049.db2.gz SDPNZJJQWJXFNG-JGVFFNPUSA-N 0 0 196.271 2.561 10 0 AFAERN C[C@H]1C[C@@H](Nc2cn[nH]c2)CC[C@H]1C 82836354 573226053 /nfs/dbraw/zinc/22/60/53/573226053.db2.gz OTKMMZUNVDXQAX-UTLUCORTSA-N 0 0 193.294 2.646 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)c1cccs1 308312242 573226058 /nfs/dbraw/zinc/22/60/58/573226058.db2.gz SDPNZJJQWJXFNG-SFYZADRCSA-N 0 0 196.271 2.561 10 0 AFAERN C[C@H]1C[C@](N)(C(F)(F)F)CC[C@H]1C 82839390 573226115 /nfs/dbraw/zinc/22/61/15/573226115.db2.gz BMZMOUKOLPLRBJ-CSMHCCOUSA-N 0 0 195.228 2.702 10 0 AFAERN CC[C@@H](C)CC(=O)OCC[C@@H](C)F 308312018 573226133 /nfs/dbraw/zinc/22/61/33/573226133.db2.gz RYNNZWRQHFHQQH-RKDXNWHRSA-N 0 0 190.258 2.714 10 0 AFAERN CC[C@H]1C[C@@H]1c1ccccc1O 238321325 573226189 /nfs/dbraw/zinc/22/61/89/573226189.db2.gz GIFSCXSWLCFZRI-WPRPVWTQSA-N 0 0 162.232 2.906 10 0 AFAERN C[C@H]1C[C@](O)(C(F)(F)F)CC[C@H]1C 82839157 573226239 /nfs/dbraw/zinc/22/62/39/573226239.db2.gz UNOXKSALOJTZPC-CSMHCCOUSA-N 0 0 196.212 2.736 10 0 AFAERN c1nc(C[C@@H]2CCC3=C2CCC3)c[nH]1 115902720 573229890 /nfs/dbraw/zinc/22/98/90/573229890.db2.gz CYUYWRBAYDTYIH-JTQLQIEISA-N 0 0 188.274 2.843 10 0 AFAERN CC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 82843172 573229921 /nfs/dbraw/zinc/22/99/21/573229921.db2.gz SCAOCHRMIQUIAJ-OYNCUSHFSA-N 0 0 154.253 2.648 10 0 AFAERN CC1CCC([C@@](C)(O)C2CC2)CC1 82848821 573229985 /nfs/dbraw/zinc/22/99/85/573229985.db2.gz ACPHILVUPWNSMT-RTYFJBAXSA-N 0 0 182.307 2.974 10 0 AFAERN CCc1cc(C=O)c(C)c(CC)c1 238322190 573230044 /nfs/dbraw/zinc/23/00/44/573230044.db2.gz JBSCUJKUXDNQDI-UHFFFAOYSA-N 0 0 176.259 2.932 10 0 AFAERN COCNc1ccc(Cl)cc1C 258597721 573230075 /nfs/dbraw/zinc/23/00/75/573230075.db2.gz HBGOHESLEVFEJB-UHFFFAOYSA-N 0 0 185.654 2.664 10 0 AFAERN CCC(=O)C1CCCCCC1 82843698 573230099 /nfs/dbraw/zinc/23/00/99/573230099.db2.gz JHUZWGXYYXQYDZ-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CSCCCn1ccc(C2CC2)n1 308313947 573230152 /nfs/dbraw/zinc/23/01/52/573230152.db2.gz UVUUPSXKGZFUJY-UHFFFAOYSA-N 0 0 196.319 2.514 10 0 AFAERN COC(=O)N[C@]1(C)CC[C@@H](C(C)C)C1 238322272 573230260 /nfs/dbraw/zinc/23/02/60/573230260.db2.gz XNXUFIVUKGXKLV-MWLCHTKSSA-N 0 0 199.294 2.557 10 0 AFAERN CC[C@H](O)[C@@H]1CC[C@H](C)[C@H](C)C1 82842826 573230281 /nfs/dbraw/zinc/23/02/81/573230281.db2.gz GZAYATLEJHUZET-ZDCRXTMVSA-N 0 0 170.296 2.830 10 0 AFAERN C=CC1=CCC[C@H](Cc2c[nH]cn2)C1 115897107 573230293 /nfs/dbraw/zinc/23/02/93/573230293.db2.gz FXFHMVHYSHJDJN-NSHDSACASA-N 0 0 188.274 2.865 10 0 AFAERN CC1CCC([C@](C)(O)C2CC2)CC1 82848820 573230302 /nfs/dbraw/zinc/23/03/02/573230302.db2.gz ACPHILVUPWNSMT-CBINBANVSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@H]1C[C@@H]1c1ccccc1N 238321315 573230324 /nfs/dbraw/zinc/23/03/24/573230324.db2.gz DJQUYFFDZIVACA-WPRPVWTQSA-N 0 0 161.248 2.782 10 0 AFAERN CC[C@H](C)C(=O)N[C@@H](C)C(C)(C)C 308313817 573230332 /nfs/dbraw/zinc/23/03/32/573230332.db2.gz TWIROIYVPIAHGO-IUCAKERBSA-N 0 0 185.311 2.583 10 0 AFAERN CCC1CCC([C@@H](O)C2CC2)CC1 82848957 573230334 /nfs/dbraw/zinc/23/03/34/573230334.db2.gz FXXZVFDWCGGRSO-RTYFJBAXSA-N 0 0 182.307 2.974 10 0 AFAERN FC(F)(F)c1ccn(C2CC2)c1 642879911 573230335 /nfs/dbraw/zinc/23/03/35/573230335.db2.gz BJWQNCKZRMXYMH-UHFFFAOYSA-N 0 0 175.153 2.842 10 0 AFAERN CCc1cc(C)cnc1Cl 238321065 573230392 /nfs/dbraw/zinc/23/03/92/573230392.db2.gz PSEUYXNDBREASA-UHFFFAOYSA-N 0 0 155.628 2.606 10 0 AFAERN C/C=C(\CC)C(=O)OC1(C)CCC1 308314434 573230476 /nfs/dbraw/zinc/23/04/76/573230476.db2.gz ULAPLIMZBYEUPE-RUDMXATFSA-N 0 0 182.263 2.829 10 0 AFAERN C/C=C(\CC)C(=O)O[C@]1(C)C[C@H]1C 308319647 573230485 /nfs/dbraw/zinc/23/04/85/573230485.db2.gz XTBZEUPSZIEBHW-VPFHPVPLSA-N 0 0 182.263 2.684 10 0 AFAERN CCC1CCC(C(C)(C)O)CC1 82848805 573230505 /nfs/dbraw/zinc/23/05/05/573230505.db2.gz GJBQLYFMAYCBAM-UHFFFAOYSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@](O)(C=C(C)C)C(C)C 86018503 573230544 /nfs/dbraw/zinc/23/05/44/573230544.db2.gz YXFNMAPJNPKTNA-SNVBAGLBSA-N 0 0 156.269 2.750 10 0 AFAERN COC(=O)[C@@]1(C2CCCC2)CC1(C)C 259041303 573237046 /nfs/dbraw/zinc/23/70/46/573237046.db2.gz SWQKNKMIDZDAHH-LBPRGKRZSA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)Sc1ncc(N)n1C(C)C 258242549 573237126 /nfs/dbraw/zinc/23/71/26/573237126.db2.gz QTNLUZKPMJRXKC-UHFFFAOYSA-N 0 0 199.323 2.547 10 0 AFAERN CCC[C@@](C)(C(C)C)N(C)O 82850136 573237182 /nfs/dbraw/zinc/23/71/82/573237182.db2.gz FTJLUMRPALWCKB-VIFPVBQESA-N 0 0 159.273 2.522 10 0 AFAERN CC1CCC(C(=O)C(F)(F)F)CC1 82849245 573237205 /nfs/dbraw/zinc/23/72/05/573237205.db2.gz PFOKLVTVBJUNOW-UHFFFAOYSA-N 0 0 194.196 2.944 10 0 AFAERN CC[C@@H](C)NC(=O)/C=C\C(C)(C)C 308323168 573237364 /nfs/dbraw/zinc/23/73/64/573237364.db2.gz ZZMCIJYSMPLUGI-UFGYOYAJSA-N 0 0 183.295 2.503 10 0 AFAERN CCC1CCC(C(C)=O)CC1 82849217 573237396 /nfs/dbraw/zinc/23/73/96/573237396.db2.gz AWPNHNUSHIWYTJ-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@]12CC[C@]1(C)CCC2=O 238314302 573237437 /nfs/dbraw/zinc/23/74/37/573237437.db2.gz CEIOUPBJHRFWRU-VHSXEESVSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@H](O)[C@H]1CC2CCC1CC2 238314808 573237556 /nfs/dbraw/zinc/23/75/56/573237556.db2.gz WSYQSOUBDGDSNV-TVUZUIDESA-N 0 0 168.280 2.584 10 0 AFAERN C/C=C\COC(=O)[C@@H]1CCC[C@H]1C 308315272 573237717 /nfs/dbraw/zinc/23/77/17/573237717.db2.gz VAOBBIMZROFJPA-HWKXXFMVSA-N 0 0 182.263 2.542 10 0 AFAERN CNc1ccc(OC)c([C@H]2C[C@@H]2C)c1 238314508 573239293 /nfs/dbraw/zinc/23/92/93/573239293.db2.gz DFNDFEWCHFOZHJ-WPRPVWTQSA-N 0 0 191.274 2.860 10 0 AFAERN Cc1ccc2nc(C3CC3)n(C)c2c1 258487418 573239315 /nfs/dbraw/zinc/23/93/15/573239315.db2.gz ASZDPUCZYMQMJI-UHFFFAOYSA-N 0 0 186.258 2.759 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2cc(Cl)nnc21 82857549 573239318 /nfs/dbraw/zinc/23/93/18/573239318.db2.gz PVUREXKTDWIURY-RQJHMYQMSA-N 0 0 196.681 2.816 10 0 AFAERN CNc1cc2c(nn1)[C@@H](C)CC[C@@H]2C 82858601 573239326 /nfs/dbraw/zinc/23/93/26/573239326.db2.gz KVUQXFFWDHXFAM-YUMQZZPRSA-N 0 0 191.278 2.519 10 0 AFAERN CNc1ccc(OC)c([C@@H]2C[C@H]2C)c1 238314486 573239372 /nfs/dbraw/zinc/23/93/72/573239372.db2.gz DFNDFEWCHFOZHJ-PSASIEDQSA-N 0 0 191.274 2.860 10 0 AFAERN CCc1ncc2scc(C)c2n1 238314854 573239417 /nfs/dbraw/zinc/23/94/17/573239417.db2.gz NTCYCQJPOKDJBY-UHFFFAOYSA-N 0 0 178.260 2.562 10 0 AFAERN CNc1nc2c(s1)CC[C@H](C)[C@H]2C 82857149 573239423 /nfs/dbraw/zinc/23/94/23/573239423.db2.gz LWCUXNFBLHYJKO-NKWVEPMBSA-N 0 0 196.319 2.871 10 0 AFAERN C[C@@H]1Cc2cc(Cl)nnc2[C@@H](C)C1 82857548 573239493 /nfs/dbraw/zinc/23/94/93/573239493.db2.gz PVUREXKTDWIURY-BQBZGAKWSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@H]1CCc2ccccc2C1 105083222 573239530 /nfs/dbraw/zinc/23/95/30/573239530.db2.gz WJRGJANWBCPTLH-VIFPVBQESA-N 0 0 146.233 2.811 10 0 AFAERN CC1CCC(CC[C@@H](C)O)CC1 82856799 573239541 /nfs/dbraw/zinc/23/95/41/573239541.db2.gz LLXWSIGQLALHCB-HSOILSAZSA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C/C=C\C(=O)O[C@H](C)C(C)C 388688291 573239543 /nfs/dbraw/zinc/23/95/43/573239543.db2.gz KEBQTRUAENGEHV-FSXIPVEJSA-N 0 0 182.263 2.706 10 0 AFAERN CC1CCC([C@@H]2CC[C@H](O)C2)CC1 82856803 573239549 /nfs/dbraw/zinc/23/95/49/573239549.db2.gz MBXINJZXRZYUDC-HCWSGVFWSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)(C)c1ncc(Cl)o1 258604359 573239560 /nfs/dbraw/zinc/23/95/60/573239560.db2.gz SVBFVKREFJOMIY-UHFFFAOYSA-N 0 0 159.616 2.626 10 0 AFAERN CC[C@H](O)[C@H]1CCC(C)=C(C)C1 238314900 573239580 /nfs/dbraw/zinc/23/95/80/573239580.db2.gz NDCABZMEFQACIL-QWRGUYRKSA-N 0 0 168.280 2.894 10 0 AFAERN 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188.270 2.862 10 0 AFAERN CC[C@H](O)/C=C(/C)c1ccccc1 238316375 573247147 /nfs/dbraw/zinc/24/71/47/573247147.db2.gz YLJDMBAODXAXSN-PRDAAYKISA-N 0 0 176.259 2.861 10 0 AFAERN C[C@@H](O)Cc1cccc(C(C)(C)F)c1 257977215 573247156 /nfs/dbraw/zinc/24/71/56/573247156.db2.gz DLVPEHHWJHGLCA-SECBINFHSA-N 0 0 196.265 2.815 10 0 AFAERN C/C=C\C(=O)O[C@@H]1CCCC[C@@H]1C 308322644 573247168 /nfs/dbraw/zinc/24/71/68/573247168.db2.gz ZPPWFHHHHMMDHS-USDMVXPLSA-N 0 0 182.263 2.684 10 0 AFAERN CCc1cccn1-c1ccccc1N 238316811 573247324 /nfs/dbraw/zinc/24/73/24/573247324.db2.gz MEZODWLPMXETBY-UHFFFAOYSA-N 0 0 186.258 2.622 10 0 AFAERN Cc1ccc2occ([C@H](C)O)c2c1 257977346 573247395 /nfs/dbraw/zinc/24/73/95/573247395.db2.gz UWRSQUULDOUZGN-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN C[C@H]1CC[C@](O)(CC(C)(C)C)C1 642830091 573247427 /nfs/dbraw/zinc/24/74/27/573247427.db2.gz KMIRBODKCQYAIA-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN COC(=O)[C@]1(C2CCCCC2)C[C@@H]1C 259051698 573247483 /nfs/dbraw/zinc/24/74/83/573247483.db2.gz VGPHSVVSJPWCSQ-JOYOIKCWSA-N 0 0 196.290 2.766 10 0 AFAERN CNc1ncc(-c2ccccc2F)o1 258608956 573247509 /nfs/dbraw/zinc/24/75/09/573247509.db2.gz PBKSTDVVPZRFJG-UHFFFAOYSA-N 0 0 192.193 2.522 10 0 AFAERN Cc1cccc2c1CC[C@H](O)C2(C)C 259052047 573247546 /nfs/dbraw/zinc/24/75/46/573247546.db2.gz AYFRFFUHRAIXJC-LBPRGKRZSA-N 0 0 190.286 2.580 10 0 AFAERN CNc1ccc2c(c1)S[C@@H](C)N2 238317285 573247690 /nfs/dbraw/zinc/24/76/90/573247690.db2.gz DCBPFRNMSOAMRW-LURJTMIESA-N 0 0 180.276 2.592 10 0 AFAERN Clc1cccc(O[C@@H]2CCOC2)c1 82865267 573247713 /nfs/dbraw/zinc/24/77/13/573247713.db2.gz OQGCNIYWCMODKM-SNVBAGLBSA-N 0 0 198.649 2.508 10 0 AFAERN COC(=O)[C@@]1(C2CCCCC2)C[C@H]1C 259051700 573247751 /nfs/dbraw/zinc/24/77/51/573247751.db2.gz VGPHSVVSJPWCSQ-SKDRFNHKSA-N 0 0 196.290 2.766 10 0 AFAERN CCC[C@H](O)[C@@H](C)[C@@H](C)CC 212550611 573247756 /nfs/dbraw/zinc/24/77/56/573247756.db2.gz OHTBLGWZGXJQHC-GUBZILKMSA-N 0 0 158.285 2.830 10 0 AFAERN 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2.775 10 0 AFAERN CC[C@H]1Nc2ccccc2[C@@]1(C)OC 238318843 573252021 /nfs/dbraw/zinc/25/20/21/573252021.db2.gz VEBPATCGCMJQFT-VXGBXAGGSA-N 0 0 191.274 2.752 10 0 AFAERN CCc1cc2ccocc-2c1N 238318574 573252141 /nfs/dbraw/zinc/25/21/41/573252141.db2.gz GYOAUDWNTSAFTA-UHFFFAOYSA-N 0 0 161.204 2.529 10 0 AFAERN CCc1cc2cnoc2cc1F 238318767 573252191 /nfs/dbraw/zinc/25/21/91/573252191.db2.gz TWYXZPNQGOZTCM-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN CCc1cc(Cl)cc(C[C@@H](C)O)c1 258260172 573252249 /nfs/dbraw/zinc/25/22/49/573252249.db2.gz YIAFUKHFYPFFHR-MRVPVSSYSA-N 0 0 198.693 2.826 10 0 AFAERN CCc1ccc(C(C)(C)CO)cc1C 257989323 573271110 /nfs/dbraw/zinc/27/11/10/573271110.db2.gz FKLJAVFNDLRQMX-UHFFFAOYSA-N 0 0 192.302 2.827 10 0 AFAERN CCc1nc2ccccc2n1CCF 123943266 573271126 /nfs/dbraw/zinc/27/11/26/573271126.db2.gz YQQYTRMGYFTCAM-UHFFFAOYSA-N 0 0 192.237 2.568 10 0 AFAERN CCc1ccc(CC(C)=O)cc1CC 257989302 573271134 /nfs/dbraw/zinc/27/11/34/573271134.db2.gz FJDVYQWOOOZZHB-UHFFFAOYSA-N 0 0 190.286 2.943 10 0 AFAERN CCC(=O)COC[C@H]1CC=CC[C@H]1C 50181688 573271174 /nfs/dbraw/zinc/27/11/74/573271174.db2.gz LJTPUFRDOCBOPY-GHMZBOCLSA-N 0 0 196.290 2.584 10 0 AFAERN COCC(=O)CC1CCCCCC1 129233506 573271209 /nfs/dbraw/zinc/27/12/09/573271209.db2.gz CUDLXSKMLXWHEO-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN Cc1c(C[NH3+])oc2c(Cl)cccc12 82908386 573271211 /nfs/dbraw/zinc/27/12/11/573271211.db2.gz FIZODZFVMNGTJV-UHFFFAOYSA-N 0 0 195.649 2.853 10 0 AFAERN COC[C@H](C)Oc1ccc(F)cc1C 129322926 573271235 /nfs/dbraw/zinc/27/12/35/573271235.db2.gz VYWZRZYBPZFQEU-VIFPVBQESA-N 0 0 198.237 2.548 10 0 AFAERN C[C@@]1(c2c(F)cccc2F)CCC[NH2+]1 82910010 573271260 /nfs/dbraw/zinc/27/12/60/573271260.db2.gz LYVNTQSBFJRZQH-NSHDSACASA-N 0 0 197.228 2.563 10 0 AFAERN COc1cccc2c(C)c(N)ccc12 257988645 573271292 /nfs/dbraw/zinc/27/12/92/573271292.db2.gz DJLSCSMAVFBYNK-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN CSc1ccc(C)c(C)c1O 116387805 573271428 /nfs/dbraw/zinc/27/14/28/573271428.db2.gz HKPWTISYPQFGRN-UHFFFAOYSA-N 0 0 168.261 2.731 10 0 AFAERN CSc1ccc(F)cc1C1(O)CC1 258272859 573271446 /nfs/dbraw/zinc/27/14/46/573271446.db2.gz ZKMOEVOXWVJBRN-UHFFFAOYSA-N 0 0 198.262 2.529 10 0 AFAERN C[NH2+][C@H](C)c1coc(CC(C)(C)C)n1 258274956 573271489 /nfs/dbraw/zinc/27/14/89/573271489.db2.gz YBBAOMZOFBFBLN-MRVPVSSYSA-N 0 0 196.294 2.544 10 0 AFAERN C[C@H]1CCc2ccc(C3(O)CC3)cc21 257989336 573271504 /nfs/dbraw/zinc/27/15/04/573271504.db2.gz FLFUWEAQNYUWQQ-VIFPVBQESA-N 0 0 188.270 2.718 10 0 AFAERN CC(C)[C@@H]1C=CC[C@H]2CC(=O)C[C@@H]21 142454155 573271540 /nfs/dbraw/zinc/27/15/40/573271540.db2.gz MNCSLWSQTFQICJ-DLOVCJGASA-N 0 0 178.275 2.814 10 0 AFAERN C1CCC(SCC[NH+]2CCC2)CC1 308338189 573271635 /nfs/dbraw/zinc/27/16/35/573271635.db2.gz PHLHKSVBOUPTML-UHFFFAOYSA-N 0 0 199.363 2.758 10 0 AFAERN CCC(=O)CO[C@H]1CCCC[C@H]1CC 50181092 573272399 /nfs/dbraw/zinc/27/23/99/573272399.db2.gz XJTZFWGWXLDVST-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)COc1cccc(CC)c1 50181170 573271781 /nfs/dbraw/zinc/27/17/81/573271781.db2.gz CUFDEDRVVURCQH-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN CC/C(=C\[C@H](C)O)c1ccc(F)cc1 308339242 573271791 /nfs/dbraw/zinc/27/17/91/573271791.db2.gz AHLIFBDLHSADLW-WKMLFNHBSA-N 0 0 194.249 3.000 10 0 AFAERN CCc1cc(O)c(CC)c(C)c1O 238335056 573271801 /nfs/dbraw/zinc/27/18/01/573271801.db2.gz ZZOVPBGAVWQZDZ-UHFFFAOYSA-N 0 0 180.247 2.531 10 0 AFAERN CCC(=O)CO[C@@H]1CCCC[C@@H]1C 50181120 573271926 /nfs/dbraw/zinc/27/19/26/573271926.db2.gz YPZUGCBIKURVDE-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1nccn1CC[C@H]1C[C@H]1C1CC1 714876793 573271954 /nfs/dbraw/zinc/27/19/54/573271954.db2.gz ZPTOKTFNLAEBQQ-RYUDHWBXSA-N 0 0 190.290 2.628 10 0 AFAERN CC(=O)[C@@H]1CSc2ccc(F)cc21 257988495 573272052 /nfs/dbraw/zinc/27/20/52/573272052.db2.gz HRNIHRZNTHCHNS-VIFPVBQESA-N 0 0 196.246 2.604 10 0 AFAERN Cc1ccc2c(c1)[nH]c1cnc(N)cc12 257988408 573272080 /nfs/dbraw/zinc/27/20/80/573272080.db2.gz FEOSHVIEZDNKQH-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN Cc1cc(Cl)cc(C(C)(C)CO)c1 258270454 573272095 /nfs/dbraw/zinc/27/20/95/573272095.db2.gz ZFJWZJSWVOTYDK-UHFFFAOYSA-N 0 0 198.693 2.918 10 0 AFAERN CCC(=O)CO[C@H]1CCCC[C@H]1C 50181123 573272110 /nfs/dbraw/zinc/27/21/10/573272110.db2.gz YPZUGCBIKURVDE-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@H]1CCCc2ccc(CNO)cc21 257986992 573272118 /nfs/dbraw/zinc/27/21/18/573272118.db2.gz FFAOBQBLJZVSPI-VIFPVBQESA-N 0 0 191.274 2.605 10 0 AFAERN CC(=O)Cc1ccc2c(C)cncc2c1 257987698 573272125 /nfs/dbraw/zinc/27/21/25/573272125.db2.gz AYFHTGIFVZRBBK-UHFFFAOYSA-N 0 0 199.253 2.675 10 0 AFAERN Cc1ccc(Cl)c(C2(O)CC2)c1C 257987022 573272139 /nfs/dbraw/zinc/27/21/39/573272139.db2.gz FGHHYNRTBTUEPX-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN Cc1ccnn1CC[C@H]1C[C@@H]1C1CC1 714873002 573272290 /nfs/dbraw/zinc/27/22/90/573272290.db2.gz NCEKVJRFHUZFKU-NWDGAFQWSA-N 0 0 190.290 2.628 10 0 AFAERN C[C@@H]1CCc2ccc(C3(O)CC3)cc21 257989335 573274048 /nfs/dbraw/zinc/27/40/48/573274048.db2.gz FLFUWEAQNYUWQQ-SECBINFHSA-N 0 0 188.270 2.718 10 0 AFAERN CCSCc1cc(Cl)ccn1 86130935 573274104 /nfs/dbraw/zinc/27/41/04/573274104.db2.gz OOHUMIVRNLLHRJ-UHFFFAOYSA-N 0 0 187.695 2.988 10 0 AFAERN CSc1cc(C)c(C)c(CCO)c1 257986957 573274112 /nfs/dbraw/zinc/27/41/12/573274112.db2.gz FDSZFTQUQMVCQS-UHFFFAOYSA-N 0 0 196.315 2.560 10 0 AFAERN CC(C)=CCN(C)C(=O)OC(C)(C)C 238329432 573274122 /nfs/dbraw/zinc/27/41/22/573274122.db2.gz MDLIMFVCRMLNHN-UHFFFAOYSA-N 0 0 199.294 2.820 10 0 AFAERN CC(C)[C@H]1C=CC[C@@H]2CC(=O)C[C@@H]21 142454730 573274142 /nfs/dbraw/zinc/27/41/42/573274142.db2.gz MNCSLWSQTFQICJ-JLLWLGSASA-N 0 0 178.275 2.814 10 0 AFAERN ONCc1ccccc1C1CCCC1 257989344 573273395 /nfs/dbraw/zinc/27/33/95/573273395.db2.gz FLXQUGGLBJKEPZ-UHFFFAOYSA-N 0 0 191.274 2.823 10 0 AFAERN CC[C@@]1(C)CCC[C@@H](C)C1=O 142455085 573273402 /nfs/dbraw/zinc/27/34/02/573273402.db2.gz SCRIFTYGACPQTF-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)COc1cc(C)ccc1C 50181291 573273418 /nfs/dbraw/zinc/27/34/18/573273418.db2.gz RVEKPPIQAIKQJP-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN Cc1cnccc1C(=O)CCCCF 308535071 573273430 /nfs/dbraw/zinc/27/34/30/573273430.db2.gz LYQCPJYSSQBNGN-UHFFFAOYSA-N 0 0 195.237 2.713 10 0 AFAERN CCC(=O)COC[C@@H]1CC=CC[C@@H]1C 50181685 573273455 /nfs/dbraw/zinc/27/34/55/573273455.db2.gz LJTPUFRDOCBOPY-QWRGUYRKSA-N 0 0 196.290 2.584 10 0 AFAERN CCC(=O)CO[C@H]1CCC[C@H](C)C1 50181460 573273584 /nfs/dbraw/zinc/27/35/84/573273584.db2.gz WJLCCJZMJRBDBH-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1c(C[NH3+])sc2ccc(F)cc12 82907387 573273605 /nfs/dbraw/zinc/27/36/05/573273605.db2.gz RJTNRLDQGUOKGN-UHFFFAOYSA-N 0 0 195.262 2.808 10 0 AFAERN CC(C)OCc1cc(Cl)ccn1 86130748 573273629 /nfs/dbraw/zinc/27/36/29/573273629.db2.gz KLPWRCUISRMBNW-UHFFFAOYSA-N 0 0 185.654 2.660 10 0 AFAERN C[C@H]1C[C@H]1[C@@H](O)C1=CCCCC1 224368535 573273652 /nfs/dbraw/zinc/27/36/52/573273652.db2.gz YPGQQSLDTDWNOJ-GDPRMGEGSA-N 0 0 166.264 2.504 10 0 AFAERN CCn1c(C)cc(/C=C\[C@H](C)O)c1C 308339263 573273653 /nfs/dbraw/zinc/27/36/53/573273653.db2.gz APXOTASBDZUZJE-GFVADAIESA-N 0 0 193.290 2.519 10 0 AFAERN Cc1cc(Cl)c2oc(C[NH3+])cc2c1 82908387 573273732 /nfs/dbraw/zinc/27/37/32/573273732.db2.gz IVIAKUVDLVCNLO-UHFFFAOYSA-N 0 0 195.649 2.853 10 0 AFAERN CCC(=O)COC1CCCCCC1 50181599 573273737 /nfs/dbraw/zinc/27/37/37/573273737.db2.gz DXPLKAXPGFNNGK-UHFFFAOYSA-N 0 0 184.279 2.705 10 0 AFAERN CCc1ccc(Cl)cc1CCCO 258275340 573273770 /nfs/dbraw/zinc/27/37/70/573273770.db2.gz ZNZIAUBSMQJZIG-UHFFFAOYSA-N 0 0 198.693 2.827 10 0 AFAERN CN[C@H](CC1(C)CCC1)C(F)(F)F 308339337 573273858 /nfs/dbraw/zinc/27/38/58/573273858.db2.gz PYOPGLPGYXPNDQ-SSDOTTSWSA-N 0 0 195.228 2.717 10 0 AFAERN O=C(CCCCF)c1ccncc1F 308535250 573273972 /nfs/dbraw/zinc/27/39/72/573273972.db2.gz MAVWLQFLBWKLCU-UHFFFAOYSA-N 0 0 199.200 2.543 10 0 AFAERN Cc1c[nH]c2c(C(C)(C)O)cccc12 257988541 573274004 /nfs/dbraw/zinc/27/40/04/573274004.db2.gz HRVNXEVXZZEXBF-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN Oc1ccc(-c2coc(Cl)n2)cc1 105642155 573274208 /nfs/dbraw/zinc/27/42/08/573274208.db2.gz PBEIJGQYJCTOHA-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN C[C@H](CO)c1ccccc1C(F)F 257986954 573274226 /nfs/dbraw/zinc/27/42/26/573274226.db2.gz FDSGTJFHQKTGNB-SSDOTTSWSA-N 0 0 186.201 2.720 10 0 AFAERN O=C(CC=C(F)F)Nc1ccccc1 142448576 573274228 /nfs/dbraw/zinc/27/42/28/573274228.db2.gz BGSSMJYKJJREAJ-UHFFFAOYSA-N 0 0 197.184 2.796 10 0 AFAERN C[C@@H](CO)c1ccccc1C(F)F 257986956 573274300 /nfs/dbraw/zinc/27/43/00/573274300.db2.gz FDSGTJFHQKTGNB-ZETCQYMHSA-N 0 0 186.201 2.720 10 0 AFAERN CCC(=O)CO[C@@H]1CCCC[C@H]1CC 50181094 573274454 /nfs/dbraw/zinc/27/44/54/573274454.db2.gz XJTZFWGWXLDVST-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CSc1cc(C)c(C)cc1CO 257989292 573274612 /nfs/dbraw/zinc/27/46/12/573274612.db2.gz FISNUJFTOYFLJT-UHFFFAOYSA-N 0 0 182.288 2.518 10 0 AFAERN CCC(=O)CO[C@H]1CCCC[C@@H]1C 50181121 573274790 /nfs/dbraw/zinc/27/47/90/573274790.db2.gz YPZUGCBIKURVDE-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccnn1CC[C@@H]1C[C@@H]1C1CC1 714873009 573274791 /nfs/dbraw/zinc/27/47/91/573274791.db2.gz NCEKVJRFHUZFKU-VXGBXAGGSA-N 0 0 190.290 2.628 10 0 AFAERN Cc1ccsc1N(C)C(=O)S 258616816 573276294 /nfs/dbraw/zinc/27/62/94/573276294.db2.gz BPBCMITUKPHDOA-UHFFFAOYSA-N 0 0 187.289 2.543 10 0 AFAERN CCC(=O)[C@H](C)c1ccccc1F 86161664 573276392 /nfs/dbraw/zinc/27/63/92/573276392.db2.gz XLWIAZCJNZZGAZ-MRVPVSSYSA-N 0 0 180.222 2.908 10 0 AFAERN CCCCCCC(=O)c1cncn1C 126032529 573276472 /nfs/dbraw/zinc/27/64/72/573276472.db2.gz RDGSBCQLZPGZNR-UHFFFAOYSA-N 0 0 194.278 2.573 10 0 AFAERN CCCC(=O)CO[C@@H]1CCCC[C@@H]1C 50185152 573276556 /nfs/dbraw/zinc/27/65/56/573276556.db2.gz GQBSPMSPPDPASA-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)[C@H]1CCO[C@](C)(CC)C1 86161647 573276627 /nfs/dbraw/zinc/27/66/27/573276627.db2.gz XKPGYIUCOZURIT-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H]1CC(=O)c2ccccc2C1 116394127 573276681 /nfs/dbraw/zinc/27/66/81/573276681.db2.gz ZNXFRXRJFHISMW-VIFPVBQESA-N 0 0 174.243 2.842 10 0 AFAERN C[C@@H](O)c1cc(F)c(F)c(Cl)c1 257991327 573276706 /nfs/dbraw/zinc/27/67/06/573276706.db2.gz FOHASUCOIHHVQI-SCSAIBSYSA-N 0 0 192.592 2.672 10 0 AFAERN CC(C)C[C@@H](O)[C@]1(C)CC1(C)C 642830759 573276708 /nfs/dbraw/zinc/27/67/08/573276708.db2.gz VCNALGJSGYOWJD-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CCC(=O)[C@@H](C)c1ccccc1F 86161663 573276711 /nfs/dbraw/zinc/27/67/11/573276711.db2.gz XLWIAZCJNZZGAZ-QMMMGPOBSA-N 0 0 180.222 2.908 10 0 AFAERN CC(C)(C)[C@](C)(O)c1cccc(O)c1 257992172 573276712 /nfs/dbraw/zinc/27/67/12/573276712.db2.gz FNAQQSXRWOEJLY-GFCCVEGCSA-N 0 0 194.274 2.646 10 0 AFAERN C[C@@]1(Br)CCCSC1 257990329 573276757 /nfs/dbraw/zinc/27/67/57/573276757.db2.gz FIGHTRHVABSYKQ-ZCFIWIBFSA-N 0 0 195.125 2.667 10 0 AFAERN CCC(=O)[C@@H]1CCCC[C@H]1C 86161669 573276898 /nfs/dbraw/zinc/27/68/98/573276898.db2.gz FYWUIXARVXZSRV-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN C/C=C\CC[C@H](C)C(=O)CC 219833601 573291502 /nfs/dbraw/zinc/29/15/02/573291502.db2.gz YGMHIQUOQYQQSB-RNEXMXFGSA-N 0 0 154.253 2.958 10 0 AFAERN Cc1ccoc1/C=C(\C(C)C)[N+](=O)[O-] 393582130 573291570 /nfs/dbraw/zinc/29/15/70/573291570.db2.gz KENJUYCVXXVPKW-RMKNXTFCSA-N 0 0 195.218 2.862 10 0 AFAERN CC(C)=CC(=O)O[C@@H](C)C(C)C 230624619 573291778 /nfs/dbraw/zinc/29/17/78/573291778.db2.gz KJAJVDYSLRBEOK-VIFPVBQESA-N 0 0 170.252 2.540 10 0 AFAERN CCCCCCOC[C@H](O)CCC 50194047 573291911 /nfs/dbraw/zinc/29/19/11/573291911.db2.gz GVQLQKBMLCMQRB-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CCOC(C)(C)C(=O)c1ccsc1 132310646 573291925 /nfs/dbraw/zinc/29/19/25/573291925.db2.gz WRNNILFVXUUWHC-UHFFFAOYSA-N 0 0 198.287 2.746 10 0 AFAERN CCc1ccc(CC)c(C2(O)CC2)c1 257996629 573294911 /nfs/dbraw/zinc/29/49/11/573294911.db2.gz GACOVONEPONDTG-UHFFFAOYSA-N 0 0 190.286 2.793 10 0 AFAERN COCCC(=O)C1CCCCCC1 129457098 573294362 /nfs/dbraw/zinc/29/43/62/573294362.db2.gz ULFVSBIKZHWNNY-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCC[C@H](C)[C@@H](NN)c1occc1C 233352279 573294394 /nfs/dbraw/zinc/29/43/94/573294394.db2.gz WEBDBGYCVWUADG-WCBMZHEXSA-N 0 0 196.294 2.529 10 0 AFAERN CCC[C@@H](C)Nc1ccc(CO)cc1 132330997 573294700 /nfs/dbraw/zinc/29/47/00/573294700.db2.gz ORMXDYGRBFMILH-SNVBAGLBSA-N 0 0 193.290 2.779 10 0 AFAERN CSc1ccc([C@]2(O)C[C@H]2C)cc1 86196790 573294723 /nfs/dbraw/zinc/29/47/23/573294723.db2.gz YMLCOAAEZDZQKV-KCJUWKMLSA-N 0 0 194.299 2.636 10 0 AFAERN Cc1ccccc1CC[C@]1(O)C[C@H]1C 86196742 573294777 /nfs/dbraw/zinc/29/47/77/573294777.db2.gz QDXAXWVARWTWHU-YPMHNXCESA-N 0 0 190.286 2.699 10 0 AFAERN Cc1c(N)ccc2ccc(F)cc12 257996408 573294822 /nfs/dbraw/zinc/29/48/22/573294822.db2.gz DSVDXULGCDLVQZ-UHFFFAOYSA-N 0 0 175.206 2.870 10 0 AFAERN COCn1ccc2c(Cl)cccc21 123984524 573294839 /nfs/dbraw/zinc/29/48/39/573294839.db2.gz ZOSDTGMXBOMQIN-UHFFFAOYSA-N 0 0 195.649 2.899 10 0 AFAERN C[C@@H]1C[C@@]1(O)Cc1cccc(Cl)c1 86196734 573294847 /nfs/dbraw/zinc/29/48/47/573294847.db2.gz HPEPKOUVHRICGU-LDYMZIIASA-N 0 0 196.677 2.653 10 0 AFAERN CNc1nc(-c2cccs2)c(C)o1 258621577 573295579 /nfs/dbraw/zinc/29/55/79/573295579.db2.gz QFWMOLBVQXKESC-UHFFFAOYSA-N 0 0 194.259 2.753 10 0 AFAERN CC(=O)c1nccc(C(C)C)c1F 116567683 573295601 /nfs/dbraw/zinc/29/56/01/573295601.db2.gz SLSYWOOCUCXZIX-UHFFFAOYSA-N 0 0 181.210 2.547 10 0 AFAERN CCC[C@H](C)[C@H](O)CCSC 233352298 573295612 /nfs/dbraw/zinc/29/56/12/573295612.db2.gz XMKUMSDLHGXLMO-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN Cc1cc([C@@]2(O)C[C@@H]2C)sc1C 86196845 573295668 /nfs/dbraw/zinc/29/56/68/573295668.db2.gz QBWQENFGOAEEGD-OIBJUYFYSA-N 0 0 182.288 2.592 10 0 AFAERN OC1(CCc2ccco2)CCCCC1 257998007 573295768 /nfs/dbraw/zinc/29/57/68/573295768.db2.gz LYLDHHZCPWXEMP-UHFFFAOYSA-N 0 0 194.274 2.907 10 0 AFAERN C[C@H]1C[C@]1(O)Cc1cccc(Cl)c1 86196733 573295822 /nfs/dbraw/zinc/29/58/22/573295822.db2.gz HPEPKOUVHRICGU-KWQFWETISA-N 0 0 196.677 2.653 10 0 AFAERN CNc1ccc(OC)cc1[C@@H]1C[C@H]1C 238335878 573295874 /nfs/dbraw/zinc/29/58/74/573295874.db2.gz ZYAYDAUTSDZDJG-PSASIEDQSA-N 0 0 191.274 2.860 10 0 AFAERN Cc1ccc(N2CCCCC2)cc1O 116630332 573295890 /nfs/dbraw/zinc/29/58/90/573295890.db2.gz OBVNYCCMPZBYEN-UHFFFAOYSA-N 0 0 191.274 2.691 10 0 AFAERN Cc1cc([C@]2(O)C[C@@H]2C)sc1C 86196842 573295909 /nfs/dbraw/zinc/29/59/09/573295909.db2.gz QBWQENFGOAEEGD-XVKPBYJWSA-N 0 0 182.288 2.592 10 0 AFAERN CNc1ccc(OC(C)(C)C)cc1O 238335499 573295975 /nfs/dbraw/zinc/29/59/75/573295975.db2.gz IGPXBICSCYHPMX-UHFFFAOYSA-N 0 0 195.262 2.611 10 0 AFAERN C[C@@H]1C[C@]1(O)Cc1cccc(Cl)c1 86196732 573296013 /nfs/dbraw/zinc/29/60/13/573296013.db2.gz HPEPKOUVHRICGU-KCJUWKMLSA-N 0 0 196.677 2.653 10 0 AFAERN C/C(=C/C1CCCCCC1)CO 211961747 573296096 /nfs/dbraw/zinc/29/60/96/573296096.db2.gz RHWYLLCYJNIGLW-NTMALXAHSA-N 0 0 168.280 2.895 10 0 AFAERN CSc1ccc([C@@]2(O)C[C@@H]2C)cc1 86196789 573296169 /nfs/dbraw/zinc/29/61/69/573296169.db2.gz YMLCOAAEZDZQKV-GZMMTYOYSA-N 0 0 194.299 2.636 10 0 AFAERN CC(C)c1cc(O)cc(C(C)(C)O)c1 257998870 573298197 /nfs/dbraw/zinc/29/81/97/573298197.db2.gz GEVHHZAYAJWLMI-UHFFFAOYSA-N 0 0 194.274 2.743 10 0 AFAERN Cc1ccc2c(c1)[C@@H]([C@@H](C)O)CS2 258284172 573298200 /nfs/dbraw/zinc/29/82/00/573298200.db2.gz ZRVDPYBWHRRLHL-PSASIEDQSA-N 0 0 194.299 2.565 10 0 AFAERN C[C@@H]1C[C@]1(O)C1CCCCCC1 86197848 573298820 /nfs/dbraw/zinc/29/88/20/573298820.db2.gz RNXKDBVRTFGSBR-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H](O)c1c(F)cc(F)c2ccoc12 257998933 573298209 /nfs/dbraw/zinc/29/82/09/573298209.db2.gz GFSSCVDBVSLDHK-RXMQYKEDSA-N 0 0 198.168 2.764 10 0 AFAERN CCc1cc([C@@H](C)O)c(F)cc1F 257999030 573298282 /nfs/dbraw/zinc/29/82/82/573298282.db2.gz GHUQXHXZWGCKSA-ZCFIWIBFSA-N 0 0 186.201 2.581 10 0 AFAERN Cc1cc(C[C@@H](C)O)c(C)c(C)c1C 257999022 573298389 /nfs/dbraw/zinc/29/83/89/573298389.db2.gz GHSGMTKCVJUPCT-SECBINFHSA-N 0 0 192.302 2.844 10 0 AFAERN CCc1ccc(F)c([C@H](C)O)c1F 257999020 573298485 /nfs/dbraw/zinc/29/84/85/573298485.db2.gz GHRCBXJMPLBKGO-LURJTMIESA-N 0 0 186.201 2.581 10 0 AFAERN C[C@H](O)c1c(F)cc(F)c2ccoc12 257998937 573298489 /nfs/dbraw/zinc/29/84/89/573298489.db2.gz GFSSCVDBVSLDHK-YFKPBYRVSA-N 0 0 198.168 2.764 10 0 AFAERN Cc1cc(C)cc([C@]2(O)C[C@@H]2C)c1 86197157 573298499 /nfs/dbraw/zinc/29/84/99/573298499.db2.gz RCDOWCNIWFOICP-JQWIXIFHSA-N 0 0 176.259 2.531 10 0 AFAERN Cc1cccc([C@]2(O)C[C@H]2C)c1C 86196950 573298536 /nfs/dbraw/zinc/29/85/36/573298536.db2.gz JFXMROSZWSQVJS-SKDRFNHKSA-N 0 0 176.259 2.531 10 0 AFAERN CCc1cc([C@H](C)O)c(F)cc1F 257999028 573298549 /nfs/dbraw/zinc/29/85/49/573298549.db2.gz GHUQXHXZWGCKSA-LURJTMIESA-N 0 0 186.201 2.581 10 0 AFAERN CSc1ccccc1[C@]1(O)C[C@H]1C 86196973 573298580 /nfs/dbraw/zinc/29/85/80/573298580.db2.gz CNMMBFKDTKIQNW-KCJUWKMLSA-N 0 0 194.299 2.636 10 0 AFAERN CC(=O)[C@@H]1C2CCC(CC2)[C@H]1C 197807164 573298670 /nfs/dbraw/zinc/29/86/70/573298670.db2.gz UVKNYBKSEVEJES-ZJTJHKMLSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccc(CC[C@@]2(O)C[C@@H]2C)cc1 86197258 573298676 /nfs/dbraw/zinc/29/86/76/573298676.db2.gz DLLDHZSJGGSRNY-WCQYABFASA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc(C[C@@]2(O)C[C@H]2C)cc1C 86196983 573298699 /nfs/dbraw/zinc/29/86/99/573298699.db2.gz AOEQPPHALGRYRF-YPMHNXCESA-N 0 0 190.286 2.617 10 0 AFAERN Cc1ccc(N)c2cc(C3CC3)[nH]c12 74280251 573298713 /nfs/dbraw/zinc/29/87/13/573298713.db2.gz BGVGORWPTVBDNT-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN COc1cc(Cl)ccc1CF 238335917 573298719 /nfs/dbraw/zinc/29/87/19/573298719.db2.gz QUTKUXQONQMXAG-UHFFFAOYSA-N 0 0 174.602 2.818 10 0 AFAERN Cc1ccc([C@@]2(O)C[C@@H]2C)c(C)c1 86197449 573298754 /nfs/dbraw/zinc/29/87/54/573298754.db2.gz FVJPNHDHOMRHOC-CMPLNLGQSA-N 0 0 176.259 2.531 10 0 AFAERN CCc1ccc(F)c([C@@H](C)O)c1F 257999021 573298767 /nfs/dbraw/zinc/29/87/67/573298767.db2.gz GHRCBXJMPLBKGO-ZCFIWIBFSA-N 0 0 186.201 2.581 10 0 AFAERN C[C@H]1C[C@@]1(O)C1CCCCCC1 86197854 573298769 /nfs/dbraw/zinc/29/87/69/573298769.db2.gz RNXKDBVRTFGSBR-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)=CC[C@@H]1CCCNC1=S 197296711 573298783 /nfs/dbraw/zinc/29/87/83/573298783.db2.gz XOMMNWNSKBSMIT-VIFPVBQESA-N 0 0 183.320 2.670 10 0 AFAERN CNc1ccc(OC)cc1[C@H]1C[C@@H]1C 238335904 573298799 /nfs/dbraw/zinc/29/87/99/573298799.db2.gz ZYAYDAUTSDZDJG-WPRPVWTQSA-N 0 0 191.274 2.860 10 0 AFAERN Cc1cccc(-c2ccncc2N)c1 74283326 573298856 /nfs/dbraw/zinc/29/88/56/573298856.db2.gz NJIZGPMJUVIQRD-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccc([C@]2(O)C[C@@H]2C)c(C)c1 86197447 573298898 /nfs/dbraw/zinc/29/88/98/573298898.db2.gz FVJPNHDHOMRHOC-JQWIXIFHSA-N 0 0 176.259 2.531 10 0 AFAERN C[C@@H]1C[C@@]1(O)CC1CCCCC1 86197992 573298917 /nfs/dbraw/zinc/29/89/17/573298917.db2.gz ZSOZSFSGRRWSJR-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN OCc1coc2cccc(Cl)c12 257999110 573298926 /nfs/dbraw/zinc/29/89/26/573298926.db2.gz WTWIOTUFIMOISU-UHFFFAOYSA-N 0 0 182.606 2.579 10 0 AFAERN C[C@@H]1C[C@]1(O)Cc1ccc(Cl)cc1 86197164 573298947 /nfs/dbraw/zinc/29/89/47/573298947.db2.gz JSEURSNNCZRAPM-KCJUWKMLSA-N 0 0 196.677 2.653 10 0 AFAERN CCc1ccsc1[C@@]1(O)C[C@H]1C 86197351 573298990 /nfs/dbraw/zinc/29/89/90/573298990.db2.gz GIJGDSKUSAGUFD-GMSGAONNSA-N 0 0 182.288 2.538 10 0 AFAERN C[C@H]1C[C@@]1(O)Cc1ccccc1Cl 86198288 573299016 /nfs/dbraw/zinc/29/90/16/573299016.db2.gz UHQXGYDFTOGVLQ-GZMMTYOYSA-N 0 0 196.677 2.653 10 0 AFAERN CCc1ccc([C@]2(O)C[C@H]2C)s1 86197836 573299098 /nfs/dbraw/zinc/29/90/98/573299098.db2.gz XMGVKJKKQGEJIO-XCBNKYQSSA-N 0 0 182.288 2.538 10 0 AFAERN C[C@@H]1C[C@@]1(O)C1CCCCCC1 86197851 573299116 /nfs/dbraw/zinc/29/91/16/573299116.db2.gz RNXKDBVRTFGSBR-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN CCc1cc(O)cc2c1CCCC2 238336382 573299127 /nfs/dbraw/zinc/29/91/27/573299127.db2.gz UOBIMWWMOGIFCP-UHFFFAOYSA-N 0 0 176.259 2.833 10 0 AFAERN Cc1cc(C[C@H](C)O)c(C)c(C)c1C 257999023 573299167 /nfs/dbraw/zinc/29/91/67/573299167.db2.gz GHSGMTKCVJUPCT-VIFPVBQESA-N 0 0 192.302 2.844 10 0 AFAERN C[C@H](C[C@]1(O)C[C@H]1C)C(C)(C)C 86197088 573299231 /nfs/dbraw/zinc/29/92/31/573299231.db2.gz WSVAYFSFKMDASM-KKZNHRDASA-N 0 0 170.296 2.830 10 0 AFAERN O=Cc1ccc(CCC(F)F)cc1 257998679 573299277 /nfs/dbraw/zinc/29/92/77/573299277.db2.gz LNEPPXKBQKVYJU-UHFFFAOYSA-N 0 0 184.185 2.697 10 0 AFAERN C[C@@H]1C[C@@]1(O)c1ccc(Cl)s1 86198279 573299305 /nfs/dbraw/zinc/29/93/05/573299305.db2.gz FUVANZNHQJDPGC-XRGYYRRGSA-N 0 0 188.679 2.629 10 0 AFAERN CCc1ccsc1[C@@]1(O)C[C@@H]1C 86197348 573299349 /nfs/dbraw/zinc/29/93/49/573299349.db2.gz GIJGDSKUSAGUFD-OIBJUYFYSA-N 0 0 182.288 2.538 10 0 AFAERN C[C@H](C[C@@]1(O)C[C@H]1C)C(C)(C)C 86197084 573299373 /nfs/dbraw/zinc/29/93/73/573299373.db2.gz WSVAYFSFKMDASM-FXPVBKGRSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C[C@@]1(O)c1ccccc1Cl 86197680 573299406 /nfs/dbraw/zinc/29/94/06/573299406.db2.gz ZNCMQZIBQVHUOB-XCBNKYQSSA-N 0 0 182.650 2.567 10 0 AFAERN Cc1ccc([C@@]2(O)C[C@H]2C)c(C)c1 86197454 573299439 /nfs/dbraw/zinc/29/94/39/573299439.db2.gz FVJPNHDHOMRHOC-ZYHUDNBSSA-N 0 0 176.259 2.531 10 0 AFAERN CC(=O)[C@H]1C2CCC(CC2)[C@H]1C 197807136 573299448 /nfs/dbraw/zinc/29/94/48/573299448.db2.gz UVKNYBKSEVEJES-CFCIWMNXSA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@]1(Cc2ccccc2)C[C@@H]1CO 132389878 573299487 /nfs/dbraw/zinc/29/94/87/573299487.db2.gz ZVBQINRMUXKLPK-OLZOCXBDSA-N 0 0 190.286 2.638 10 0 AFAERN C[C@@H]1C=CCCC(=O)C1(C)C 223011586 573302272 /nfs/dbraw/zinc/30/22/72/573302272.db2.gz NXWGCYURDQHPRM-MRVPVSSYSA-N 0 0 152.237 2.568 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(F)c(F)c1 86199493 573302425 /nfs/dbraw/zinc/30/24/25/573302425.db2.gz DYHHDRRWLSFAFR-CPCISQLKSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cccc(C)c1C 86199827 573302465 /nfs/dbraw/zinc/30/24/65/573302465.db2.gz UURDVOOCMIXTLV-WCQYABFASA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(F)c(F)c1 86199489 573302475 /nfs/dbraw/zinc/30/24/75/573302475.db2.gz DYHHDRRWLSFAFR-HQJQHLMTSA-N 0 0 198.212 2.582 10 0 AFAERN Cc1cccc(OC(C)C)c1C=O 257993381 573302535 /nfs/dbraw/zinc/30/25/35/573302535.db2.gz KXMIGMJQAWMGBZ-UHFFFAOYSA-N 0 0 178.231 2.595 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(Cl)cc1 86200000 573302548 /nfs/dbraw/zinc/30/25/48/573302548.db2.gz ZGTAJJLPLYKVCB-KWQFWETISA-N 0 0 196.677 2.958 10 0 AFAERN CCc1ccc([C@@]2(O)C[C@@H]2CC)cc1 86199802 573302566 /nfs/dbraw/zinc/30/25/66/573302566.db2.gz VOFHDPLBYDABIZ-WCQYABFASA-N 0 0 190.286 2.867 10 0 AFAERN CC[C@@H]1C[C@@]1(O)Cc1ccccc1C 86199423 573302701 /nfs/dbraw/zinc/30/27/01/573302701.db2.gz QEJBHSKPEHCUQV-OLZOCXBDSA-N 0 0 190.286 2.699 10 0 AFAERN CCC(CC)[C@@]1(O)C[C@H]1CC 86200002 573302811 /nfs/dbraw/zinc/30/28/11/573302811.db2.gz RDBBRYPBIWJLEW-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)=C(F)C(=O)O[C@H](C)C(C)C 393583745 573302840 /nfs/dbraw/zinc/30/28/40/573302840.db2.gz MVZSVHDSCTZNJK-MRVPVSSYSA-N 0 0 188.242 2.838 10 0 AFAERN CC[C@@H]1C[C@@]1(O)CCC(C)C 86200102 573302886 /nfs/dbraw/zinc/30/28/86/573302886.db2.gz OMTBFCTUKNMJGF-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1c2cccc(O)c2NC1(C)C 258001399 573302892 /nfs/dbraw/zinc/30/28/92/573302892.db2.gz CBMIRFVKSKVOCZ-SSDOTTSWSA-N 0 0 177.247 2.700 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cc(F)ccc1C 86199619 573302894 /nfs/dbraw/zinc/30/28/94/573302894.db2.gz UEDUTISMBACKPI-SKDRFNHKSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cc(C)ccc1C 86199461 573302901 /nfs/dbraw/zinc/30/29/01/573302901.db2.gz ALBQBEYRNQOBJB-DGCLKSJQSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cc(C)cc(C)c1 86200016 573302933 /nfs/dbraw/zinc/30/29/33/573302933.db2.gz NTCKZUOFRZVEAH-AAEUAGOBSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@@H]1C[C@@]1(O)Cc1cccc(F)c1 86199514 573302973 /nfs/dbraw/zinc/30/29/73/573302973.db2.gz ZFSFLBQJUATGFP-PWSUYJOCSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cc(C)cc(C)c1 86200011 573302977 /nfs/dbraw/zinc/30/29/77/573302977.db2.gz NTCKZUOFRZVEAH-DGCLKSJQSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@H]1C[C@@]1(O)CC(C)(C)C 86200271 573303039 /nfs/dbraw/zinc/30/30/39/573303039.db2.gz LZPGKUZVXSQIMH-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CCCCCn1cc(C(C)=O)nc1C 308548061 573303058 /nfs/dbraw/zinc/30/30/58/573303058.db2.gz OTFWPPQEXMNMGX-UHFFFAOYSA-N 0 0 194.278 2.584 10 0 AFAERN Cc1cc(C)c(C)c(C(C)(C)O)c1 257993223 573303079 /nfs/dbraw/zinc/30/30/79/573303079.db2.gz KTUXIGJXPAOKPH-UHFFFAOYSA-N 0 0 178.275 2.839 10 0 AFAERN C[C@H](O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 308342568 573303162 /nfs/dbraw/zinc/30/31/62/573303162.db2.gz JLZVUQZAPSJJPN-KJERHOQKSA-N 0 0 192.258 2.797 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cc(C)ccc1C 86199462 573303176 /nfs/dbraw/zinc/30/31/76/573303176.db2.gz ALBQBEYRNQOBJB-WCQYABFASA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@H]1C[C@@]1(O)Cc1cccc(F)c1 86199516 573303184 /nfs/dbraw/zinc/30/31/84/573303184.db2.gz ZFSFLBQJUATGFP-JQWIXIFHSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@H]1C[C@@]1(O)Cc1ccccc1C 86199426 573303193 /nfs/dbraw/zinc/30/31/93/573303193.db2.gz QEJBHSKPEHCUQV-STQMWFEESA-N 0 0 190.286 2.699 10 0 AFAERN CCc1ccsc1[C@@]1(O)C[C@H]1CC 86200201 573303204 /nfs/dbraw/zinc/30/32/04/573303204.db2.gz PKOQFKRZXPEGEO-MWLCHTKSSA-N 0 0 196.315 2.928 10 0 AFAERN Cc1ccc([C@]2(O)C[C@H]2C)cc1Cl 86198509 573303222 /nfs/dbraw/zinc/30/32/22/573303222.db2.gz VIHGDGCGADKDSC-KCJUWKMLSA-N 0 0 196.677 2.876 10 0 AFAERN Cc1coc(N)c1-c1ccccc1F 106519500 573303230 /nfs/dbraw/zinc/30/32/30/573303230.db2.gz NFKMCIWEKOUMMF-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccccc1C 86199812 573303237 /nfs/dbraw/zinc/30/32/37/573303237.db2.gz CFYJOVPPKOXIMM-PWSUYJOCSA-N 0 0 176.259 2.613 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cccc(C)c1C 86199830 573303258 /nfs/dbraw/zinc/30/32/58/573303258.db2.gz UURDVOOCMIXTLV-AAEUAGOBSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(C)cc1C 86200295 573303288 /nfs/dbraw/zinc/30/32/88/573303288.db2.gz DJBUBCHDHFOKQC-DGCLKSJQSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cc(F)ccc1C 86199615 573303342 /nfs/dbraw/zinc/30/33/42/573303342.db2.gz UEDUTISMBACKPI-BXKDBHETSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cc(C)ccc1C 86199463 573303369 /nfs/dbraw/zinc/30/33/69/573303369.db2.gz ALBQBEYRNQOBJB-YPMHNXCESA-N 0 0 190.286 2.921 10 0 AFAERN CC(C)(C)Cc1nc(C=O)cs1 74299128 573303376 /nfs/dbraw/zinc/30/33/76/573303376.db2.gz NXQMTOAAQOZTPC-UHFFFAOYSA-N 0 0 183.276 2.544 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(C)cc1C 86200298 573303384 /nfs/dbraw/zinc/30/33/84/573303384.db2.gz DJBUBCHDHFOKQC-WCQYABFASA-N 0 0 190.286 2.921 10 0 AFAERN CCc1ccc([C@@]2(O)C[C@H]2CC)cc1 86199806 573303430 /nfs/dbraw/zinc/30/34/30/573303430.db2.gz VOFHDPLBYDABIZ-DGCLKSJQSA-N 0 0 190.286 2.867 10 0 AFAERN CCc1ccsc1[C@@]1(O)C[C@@H]1CC 86200197 573303457 /nfs/dbraw/zinc/30/34/57/573303457.db2.gz PKOQFKRZXPEGEO-GXSJLCMTSA-N 0 0 196.315 2.928 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(Cl)cc1 86199996 573303498 /nfs/dbraw/zinc/30/34/98/573303498.db2.gz ZGTAJJLPLYKVCB-GZMMTYOYSA-N 0 0 196.677 2.958 10 0 AFAERN CCC(CC)[C@]1(O)C[C@H]1CC 86200006 573303525 /nfs/dbraw/zinc/30/35/25/573303525.db2.gz RDBBRYPBIWJLEW-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CCC(F)(F)c1cc[nH]c1 259076427 573303535 /nfs/dbraw/zinc/30/35/35/573303535.db2.gz YVNDFPVYDVWRAN-UHFFFAOYSA-N 0 0 145.152 2.517 10 0 AFAERN CC(=O)COc1cccc(Cl)c1C 230853764 573303580 /nfs/dbraw/zinc/30/35/80/573303580.db2.gz XTXITPAERQHKFE-UHFFFAOYSA-N 0 0 198.649 2.616 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1occc1C 86204119 573313908 /nfs/dbraw/zinc/31/39/08/573313908.db2.gz QWVFUAXMCKAHSO-KOLCDFICSA-N 0 0 180.247 2.596 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1ccccc1F 86203760 573313928 /nfs/dbraw/zinc/31/39/28/573313928.db2.gz LTJQSEDYDMHBJO-CABZTGNLSA-N 0 0 194.249 2.833 10 0 AFAERN CC/C(=C\c1ccc(CC)o1)CO 86209105 573313946 /nfs/dbraw/zinc/31/39/46/573313946.db2.gz AXLBHTFSCGNBQG-VQHVLOKHSA-N 0 0 180.247 2.628 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1cc(C)oc1C 86203339 573313951 /nfs/dbraw/zinc/31/39/51/573313951.db2.gz GYHAUIFIGNRWKC-JQWIXIFHSA-N 0 0 194.274 2.904 10 0 AFAERN CCC[C@H]1C[C@]1(O)CC(C)C 86202809 573313963 /nfs/dbraw/zinc/31/39/63/573313963.db2.gz RUKBYUOCBSHHFX-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc([C@@H](O)CCCCF)cn1 308546820 573313297 /nfs/dbraw/zinc/31/32/97/573313297.db2.gz PZZJGXOZGSBIOG-NSHDSACASA-N 0 0 197.253 2.563 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1ccc(C)o1 86204106 573313335 /nfs/dbraw/zinc/31/33/35/573313335.db2.gz NNJADAWYKBIZBC-ONGXEEELSA-N 0 0 180.247 2.596 10 0 AFAERN COc1cncc(C(F)F)c1Cl 238344904 573313341 /nfs/dbraw/zinc/31/33/41/573313341.db2.gz INBDSLDBOLNBHQ-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1ccc(C)o1 86204102 573313358 /nfs/dbraw/zinc/31/33/58/573313358.db2.gz NNJADAWYKBIZBC-GXSJLCMTSA-N 0 0 180.247 2.596 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1ccoc1C 86202911 573313390 /nfs/dbraw/zinc/31/33/90/573313390.db2.gz QGTBRRPZRRGCTA-GXSJLCMTSA-N 0 0 180.247 2.596 10 0 AFAERN Cc1c[nH]c(CC(C)(C)C)c1 224010392 573313551 /nfs/dbraw/zinc/31/35/51/573313551.db2.gz MXCSNIIFVCJHJX-UHFFFAOYSA-N 0 0 151.253 2.912 10 0 AFAERN COCC(=O)CCC1CCC(C)CC1 308546469 573313634 /nfs/dbraw/zinc/31/36/34/573313634.db2.gz VUOKWUNKBJNGPS-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1ccccc1 86202715 573313718 /nfs/dbraw/zinc/31/37/18/573313718.db2.gz UVLIYLSZISQRHS-RYUDHWBXSA-N 0 0 176.259 2.694 10 0 AFAERN Clc1ncccc1-c1nccs1 231244724 573313757 /nfs/dbraw/zinc/31/37/57/573313757.db2.gz VDKZTVOLHQMHFW-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN CCc1ccc(CC)c(CCCO)c1 258001304 573313793 /nfs/dbraw/zinc/31/37/93/573313793.db2.gz GMFQEAUCCJAYEF-UHFFFAOYSA-N 0 0 192.302 2.736 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1cccs1 86203509 573313808 /nfs/dbraw/zinc/31/38/08/573313808.db2.gz VIZNLBILGXWZLN-PSASIEDQSA-N 0 0 182.288 2.756 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1cc(C)oc1C 86203336 573313810 /nfs/dbraw/zinc/31/38/10/573313810.db2.gz GYHAUIFIGNRWKC-CMPLNLGQSA-N 0 0 194.274 2.904 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1ccsc1 86202680 573313857 /nfs/dbraw/zinc/31/38/57/573313857.db2.gz TWVOXVQINXPTQD-PSASIEDQSA-N 0 0 182.288 2.756 10 0 AFAERN Cc1cccc(O)c1C1CCOCC1 259413674 573313865 /nfs/dbraw/zinc/31/38/65/573313865.db2.gz JBIGZPMLIYMFJJ-UHFFFAOYSA-N 0 0 192.258 2.595 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1ccc(F)cc1 86204062 573313870 /nfs/dbraw/zinc/31/38/70/573313870.db2.gz MAVRDTWWDNPKHL-JQWIXIFHSA-N 0 0 194.249 2.833 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1ccoc1C 86202916 573313892 /nfs/dbraw/zinc/31/38/92/573313892.db2.gz QGTBRRPZRRGCTA-ONGXEEELSA-N 0 0 180.247 2.596 10 0 AFAERN CC(C)c1cc(O)cc([C@@H](C)O)c1 258001096 573314523 /nfs/dbraw/zinc/31/45/23/573314523.db2.gz LYUSQNHQTFXCFM-MRVPVSSYSA-N 0 0 180.247 2.569 10 0 AFAERN CCC[C@H]1C[C@]1(O)C(C)(C)C 86203023 573314563 /nfs/dbraw/zinc/31/45/63/573314563.db2.gz HWNKZKMKNXYHNZ-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CC/C(=C\c1ccsc1)CO 86209302 573314597 /nfs/dbraw/zinc/31/45/97/573314597.db2.gz OSBISUWAZYGXSA-VMPITWQZSA-N 0 0 168.261 2.534 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1ccoc1C 86202914 573314605 /nfs/dbraw/zinc/31/46/05/573314605.db2.gz QGTBRRPZRRGCTA-KOLCDFICSA-N 0 0 180.247 2.596 10 0 AFAERN COc1cc(C(F)F)cnc1Cl 238348782 573314625 /nfs/dbraw/zinc/31/46/25/573314625.db2.gz HPJHGBSHZMWVAG-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1ccccc1F 86203753 573314692 /nfs/dbraw/zinc/31/46/92/573314692.db2.gz LTJQSEDYDMHBJO-BXKDBHETSA-N 0 0 194.249 2.833 10 0 AFAERN CC(C)CCCc1csc(N)n1 258627537 573314727 /nfs/dbraw/zinc/31/47/27/573314727.db2.gz BVJKXUKQVFICPZ-UHFFFAOYSA-N 0 0 184.308 2.704 10 0 AFAERN CC(=O)c1ccc2occc2c1F 258001003 573314731 /nfs/dbraw/zinc/31/47/31/573314731.db2.gz LWWPJLCYMVDQKO-UHFFFAOYSA-N 0 0 178.162 2.775 10 0 AFAERN CC/C(=C\C1CCCCC1)CO 86209132 573314739 /nfs/dbraw/zinc/31/47/39/573314739.db2.gz DFHJSPSYPQEPTR-CSKARUKUSA-N 0 0 168.280 2.895 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1occc1C 86204117 573314761 /nfs/dbraw/zinc/31/47/61/573314761.db2.gz QWVFUAXMCKAHSO-GXSJLCMTSA-N 0 0 180.247 2.596 10 0 AFAERN c1ccc2c(c1)CC[C@@H]2Nc1c[nH]cn1 308858223 573314824 /nfs/dbraw/zinc/31/48/24/573314824.db2.gz QQAYOIKYSXWYMM-NSHDSACASA-N 0 0 199.257 2.509 10 0 AFAERN O=C(c1ccc2c(c1)CCC2)C(F)F 236147297 573314848 /nfs/dbraw/zinc/31/48/48/573314848.db2.gz NWFGHCAGHRMYBV-UHFFFAOYSA-N 0 0 196.196 2.623 10 0 AFAERN Cc1cc(Cl)cc(CC2(O)CC2)c1 258001217 573314982 /nfs/dbraw/zinc/31/49/82/573314982.db2.gz GKOBVBZRUUNEJS-UHFFFAOYSA-N 0 0 196.677 2.716 10 0 AFAERN Cc1cccc2c1[nH]c1cnc(N)cc12 258001280 573315014 /nfs/dbraw/zinc/31/50/14/573315014.db2.gz GKWCSEOGYPCGSF-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN CC(C)(O)CCSC(C)(C)C 86234823 573324254 /nfs/dbraw/zinc/32/42/54/573324254.db2.gz WAZWGPBHZZWIBS-UHFFFAOYSA-N 0 0 176.325 2.679 10 0 AFAERN CN1CCc2cc(C3CC3)ccc21 238342547 573324291 /nfs/dbraw/zinc/32/42/91/573324291.db2.gz LJIBUQNJTVGYNZ-UHFFFAOYSA-N 0 0 173.259 2.556 10 0 AFAERN CCCCC[C@H](NN)C1(CCC)CC1 308553829 573324524 /nfs/dbraw/zinc/32/45/24/573324524.db2.gz UDXQEIBFDHMJKA-NSHDSACASA-N 0 0 198.354 2.979 10 0 AFAERN Cc1nc2ccc(-c3cc[nH]n3)cc2o1 259417845 573324559 /nfs/dbraw/zinc/32/45/59/573324559.db2.gz YRTWRMVONZLHPT-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN C[C@@H]1NC=Cc2c1[nH]c1ccccc21 197315397 573324616 /nfs/dbraw/zinc/32/46/16/573324616.db2.gz RPVASPVOQPWXEH-QMMMGPOBSA-N 0 0 184.242 2.803 10 0 AFAERN CC[C@@H](CC1CCC(C)(C)CC1)NN 308548815 573324642 /nfs/dbraw/zinc/32/46/42/573324642.db2.gz WVQUPSVTDYGSRG-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN C/C=C/Cn1nc(CC)cc1CC 132629043 573324805 /nfs/dbraw/zinc/32/48/05/573324805.db2.gz DZNAQRAHMPWVEK-QPJJXVBHSA-N 0 0 178.279 2.584 10 0 AFAERN O[C@H](CCC1CC1)[C@@H]1CC=CCC1 236539982 573324837 /nfs/dbraw/zinc/32/48/37/573324837.db2.gz FPYUIZJBHPYMPU-VXGBXAGGSA-N 0 0 180.291 2.894 10 0 AFAERN CC(=O)CCc1cccc(O)c1Cl 106876385 573324948 /nfs/dbraw/zinc/32/49/48/573324948.db2.gz PKWWREGOUYBIIQ-UHFFFAOYSA-N 0 0 198.649 2.567 10 0 AFAERN CCC(=O)C1=C(O)C(C)(C)CC[C@H]1C 100267674 573324988 /nfs/dbraw/zinc/32/49/88/573324988.db2.gz WFKZPYWBJUQMCY-PSASIEDQSA-N 0 0 196.290 2.607 10 0 AFAERN CCC(=O)[C@@H](C)OCc1cccs1 82954189 573325007 /nfs/dbraw/zinc/32/50/07/573325007.db2.gz UXMSAHQDZYSXMV-MRVPVSSYSA-N 0 0 198.287 2.632 10 0 AFAERN CCC(CC)(OC)c1ccc(N)cc1 231406972 573325033 /nfs/dbraw/zinc/32/50/33/573325033.db2.gz FZLMTLNZFXQRAC-UHFFFAOYSA-N 0 0 193.290 2.931 10 0 AFAERN CCCCC[C@H](O)[C@@H](CC)OCC 132634971 573325364 /nfs/dbraw/zinc/32/53/64/573325364.db2.gz SRCDKFNLCUSZFE-WDEREUQCSA-N 0 0 188.311 2.743 10 0 AFAERN CCC(=O)C1=C(O)C(C)(C)CC[C@H]1C 100267671 573325464 /nfs/dbraw/zinc/32/54/64/573325464.db2.gz WFKZPYWBJUQMCY-SCZZXKLOSA-N 0 0 196.290 2.607 10 0 AFAERN Clc1nc(-c2cccs2)c[nH]1 258630326 573325484 /nfs/dbraw/zinc/32/54/84/573325484.db2.gz VILCJFNSUQLNBB-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN CNc1ccccc1[C@@H](O)C=C(C)C 238343108 573325532 /nfs/dbraw/zinc/32/55/32/573325532.db2.gz JCXBUQMQJCFWKZ-LBPRGKRZSA-N 0 0 191.274 2.728 10 0 AFAERN CCc1cc(CC)n(CC=C(C)C)n1 132628861 573325661 /nfs/dbraw/zinc/32/56/61/573325661.db2.gz VAAGWXFHJJTIMZ-UHFFFAOYSA-N 0 0 192.306 2.974 10 0 AFAERN Cc1ccccc1Oc1cnoc1 258304862 573325759 /nfs/dbraw/zinc/32/57/59/573325759.db2.gz COWGWUZXQPWOLC-UHFFFAOYSA-N 0 0 175.187 2.775 10 0 AFAERN CC(C)c1ccc2c(c1)CCC(=O)C2 117138316 573325919 /nfs/dbraw/zinc/32/59/19/573325919.db2.gz JSDBRFXWIHNYFL-UHFFFAOYSA-N 0 0 188.270 2.868 10 0 AFAERN COc1cc(C(F)F)c(Cl)cn1 238343692 573325998 /nfs/dbraw/zinc/32/59/98/573325998.db2.gz QKNNMYOXVBHLMM-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN CC1(C)C(n2cnnc2Cl)C1(C)C 86240818 573326185 /nfs/dbraw/zinc/32/61/85/573326185.db2.gz HBKIZHCQDGAHJA-UHFFFAOYSA-N 0 0 199.685 2.539 10 0 AFAERN CCc1cc(CC)n(CCC2CC2)n1 132629465 573326202 /nfs/dbraw/zinc/32/62/02/573326202.db2.gz VQCNZPMYKGZTSU-UHFFFAOYSA-N 0 0 192.306 2.808 10 0 AFAERN Cc1cc(-c2cnco2)c(C)cc1N 117171088 573326248 /nfs/dbraw/zinc/32/62/48/573326248.db2.gz XDKVMJJKQWFNMW-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CN1CCCCc2cc(F)ccc21 238343549 573326341 /nfs/dbraw/zinc/32/63/41/573326341.db2.gz KUCXNARWRLGIMU-UHFFFAOYSA-N 0 0 179.238 2.598 10 0 AFAERN CC[C@H](O)/C=C/c1ccc(C)cc1 143558569 573326377 /nfs/dbraw/zinc/32/63/77/573326377.db2.gz DFKUUNULWFZDBG-BCPZQOPPSA-N 0 0 176.259 2.779 10 0 AFAERN CCSCCOc1cccc(O)c1 129518373 573326379 /nfs/dbraw/zinc/32/63/79/573326379.db2.gz DNTBETOCHRCKQF-UHFFFAOYSA-N 0 0 198.287 2.524 10 0 AFAERN Nc1ccn(C2CCCCC2)c1 74340057 573326529 /nfs/dbraw/zinc/32/65/29/573326529.db2.gz YGWDHBCPRLSFGJ-UHFFFAOYSA-N 0 0 164.252 2.576 10 0 AFAERN CNc1ccccc1[C@H]1C[C@@H]1C 238343651 573326544 /nfs/dbraw/zinc/32/65/44/573326544.db2.gz UEQNDDPYXBHFSK-WPRPVWTQSA-N 0 0 161.248 2.852 10 0 AFAERN CN1CCc2cccc(C3CC3)c21 238342977 573326611 /nfs/dbraw/zinc/32/66/11/573326611.db2.gz UZNGKNVXGIAXOI-UHFFFAOYSA-N 0 0 173.259 2.556 10 0 AFAERN CN1CCc2ccc(C3CC3)cc21 238342958 573326736 /nfs/dbraw/zinc/32/67/36/573326736.db2.gz JUHPTNSWWQXJBO-UHFFFAOYSA-N 0 0 173.259 2.556 10 0 AFAERN CC(C)C1=CC[C@](C)(CO)C=C1 143592051 573326820 /nfs/dbraw/zinc/32/68/20/573326820.db2.gz BRRIGLAWKLPWKU-LLVKDONJSA-N 0 0 166.264 2.527 10 0 AFAERN CCc1cc(CC)n(C/C=C/Cl)n1 132630339 573326886 /nfs/dbraw/zinc/32/68/86/573326886.db2.gz MMPFBHYWCKTMNM-AATRIKPKSA-N 0 0 198.697 2.760 10 0 AFAERN CCC(=O)C1=C(O)C(C)(C)CC[C@@H]1C 100267678 573326986 /nfs/dbraw/zinc/32/69/86/573326986.db2.gz WFKZPYWBJUQMCY-WPRPVWTQSA-N 0 0 196.290 2.607 10 0 AFAERN C[C@@H](Cn1cccn1)c1ccccc1 197311328 573326989 /nfs/dbraw/zinc/32/69/89/573326989.db2.gz SIEHYYQFDMPFIG-NSHDSACASA-N 0 0 186.258 2.687 10 0 AFAERN Clc1ccc2c(c1)N[C@H]1C[C@@H]21 258003278 573327001 /nfs/dbraw/zinc/32/70/01/573327001.db2.gz ZEGLAVYCFNFNPD-CBAPKCEASA-N 0 0 165.623 2.621 10 0 AFAERN CNc1ccccc1[C@@H]1C[C@@H]1C 238343321 573327003 /nfs/dbraw/zinc/32/70/03/573327003.db2.gz UEQNDDPYXBHFSK-WCBMZHEXSA-N 0 0 161.248 2.852 10 0 AFAERN CNc1ccccc1[C@H]1C[C@H]1C 238343671 573327058 /nfs/dbraw/zinc/32/70/58/573327058.db2.gz UEQNDDPYXBHFSK-SCZZXKLOSA-N 0 0 161.248 2.852 10 0 AFAERN C[C@@H]1CCC[C@H]1c1nc(F)cc(F)n1 690042722 573328568 /nfs/dbraw/zinc/32/85/68/573328568.db2.gz ZKMKKUVYOQPXJL-RNFRBKRXSA-N 0 0 198.216 2.658 10 0 AFAERN Cc1ccc(F)cc1OCOC(C)C 308550135 573328705 /nfs/dbraw/zinc/32/87/05/573328705.db2.gz RJEJAWVNHNJENZ-UHFFFAOYSA-N 0 0 198.237 2.895 10 0 AFAERN CC(C)c1ccc(CC(C)(C)O)nc1 259418213 573328707 /nfs/dbraw/zinc/32/87/07/573328707.db2.gz SOXQWMCZHCERQV-UHFFFAOYSA-N 0 0 193.290 2.518 10 0 AFAERN CN1CCCCc2cccc(F)c21 238343704 573328730 /nfs/dbraw/zinc/32/87/30/573328730.db2.gz WYVBMNNHCJAPBO-UHFFFAOYSA-N 0 0 179.238 2.598 10 0 AFAERN Clc1ccc2c(c1)N[C@@H]1C[C@H]21 258003289 573328732 /nfs/dbraw/zinc/32/87/32/573328732.db2.gz ZEGLAVYCFNFNPD-VXNVDRBHSA-N 0 0 165.623 2.621 10 0 AFAERN CCCCO[C@H](C[NH3+])c1ccsc1 43125501 573328977 /nfs/dbraw/zinc/32/89/77/573328977.db2.gz GUEUXWLYFIYILQ-SNVBAGLBSA-N 0 0 199.319 2.565 10 0 AFAERN Cc1ncccc1[C@@H](O)CCCCF 308549425 573329041 /nfs/dbraw/zinc/32/90/41/573329041.db2.gz RASRQDDINCZFND-NSHDSACASA-N 0 0 197.253 2.563 10 0 AFAERN COc1cc(F)c(NC2CC2)cc1F 106876489 573329108 /nfs/dbraw/zinc/32/91/08/573329108.db2.gz DYDSNTFOYGZFLD-UHFFFAOYSA-N 0 0 199.200 2.548 10 0 AFAERN CC[C@@H](C)COc1c(N)cccc1F 132649189 573329114 /nfs/dbraw/zinc/32/91/14/573329114.db2.gz BKKLTUFXGOEYJR-MRVPVSSYSA-N 0 0 197.253 2.833 10 0 AFAERN Cc1cc(-c2ccc(C)o2)on1 259417926 573329188 /nfs/dbraw/zinc/32/91/88/573329188.db2.gz YTGZCWFKHILKPH-UHFFFAOYSA-N 0 0 163.176 2.551 10 0 AFAERN CC(C)C1([C@H](C)O)CCCCC1 143619969 573329314 /nfs/dbraw/zinc/32/93/14/573329314.db2.gz ORJDOPKWQCSHKB-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C/CCNC(=O)C1(CCC)CC1 308549051 573329464 /nfs/dbraw/zinc/32/94/64/573329464.db2.gz QTDXLNUZQPSJMG-HWKANZROSA-N 0 0 195.306 2.649 10 0 AFAERN CC(C)C1([C@@H](C)O)CCCCC1 143619779 573329518 /nfs/dbraw/zinc/32/95/18/573329518.db2.gz ORJDOPKWQCSHKB-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)C(NCC(F)(F)F)C1(C)C 86240120 573329533 /nfs/dbraw/zinc/32/95/33/573329533.db2.gz NBCLMRBAIRHSMI-UHFFFAOYSA-N 0 0 195.228 2.573 10 0 AFAERN CSCCCOc1cccc(O)c1 129518829 573329549 /nfs/dbraw/zinc/32/95/49/573329549.db2.gz VXVQIQQQGWOUEA-UHFFFAOYSA-N 0 0 198.287 2.524 10 0 AFAERN CCSCCOc1ccc(O)cc1 129516992 573329784 /nfs/dbraw/zinc/32/97/84/573329784.db2.gz QUUQWXLJWGBZCQ-UHFFFAOYSA-N 0 0 198.287 2.524 10 0 AFAERN CCC(=O)C1=C(O)C(C)(C)CC[C@@H]1C 100267680 573329799 /nfs/dbraw/zinc/32/97/99/573329799.db2.gz WFKZPYWBJUQMCY-WCBMZHEXSA-N 0 0 196.290 2.607 10 0 AFAERN C[C@@H]1CCC[C@@H]1c1nc(F)cc(F)n1 690042723 573329865 /nfs/dbraw/zinc/32/98/65/573329865.db2.gz ZKMKKUVYOQPXJL-RQJHMYQMSA-N 0 0 198.216 2.658 10 0 AFAERN C[C@H]1CCC[C@H]1c1nc(F)cc(F)n1 690042721 573329971 /nfs/dbraw/zinc/32/99/71/573329971.db2.gz ZKMKKUVYOQPXJL-NKWVEPMBSA-N 0 0 198.216 2.658 10 0 AFAERN CCC(CC)Oc1c(N)cccc1F 132650520 573330082 /nfs/dbraw/zinc/33/00/82/573330082.db2.gz SSKZSGWVNJLEQF-UHFFFAOYSA-N 0 0 197.253 2.975 10 0 AFAERN C=Cc1cccc(C=C)c1O 143564312 573331183 /nfs/dbraw/zinc/33/11/83/573331183.db2.gz ZGWWUDNVAQKNJG-UHFFFAOYSA-N 0 0 146.189 2.678 10 0 AFAERN CC1(C)CNc2cc(O)ccc2S1 259419429 573331184 /nfs/dbraw/zinc/33/11/84/573331184.db2.gz YHVONGCUTUTCQL-UHFFFAOYSA-N 0 0 195.287 2.688 10 0 AFAERN O=Cc1cc(-c2ccc[nH]2)ccc1F 236166258 573331834 /nfs/dbraw/zinc/33/18/34/573331834.db2.gz UWOYZBHSAFQOKB-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN Cc1ncccc1[C@H](O)CCCCF 308549421 573331912 /nfs/dbraw/zinc/33/19/12/573331912.db2.gz RASRQDDINCZFND-LLVKDONJSA-N 0 0 197.253 2.563 10 0 AFAERN C/C(=C\[C@@H](C)O)CCc1ccccc1 219972690 573334207 /nfs/dbraw/zinc/33/42/07/573334207.db2.gz VJOLKYRPTFHHBQ-HCRIHEDKSA-N 0 0 190.286 2.946 10 0 AFAERN CNC(=S)/C=C/C1CCCCC1 238357812 573334239 /nfs/dbraw/zinc/33/42/39/573334239.db2.gz DUADTMVMOJCKHU-BQYQJAHWSA-N 0 0 183.320 2.670 10 0 AFAERN CCOC(=O)c1cscc1C1CC1 132695969 573334261 /nfs/dbraw/zinc/33/42/61/573334261.db2.gz IYQNAUYDXCMZRM-UHFFFAOYSA-N 0 0 196.271 2.802 10 0 AFAERN Cc1ccc(Cl)c(C)c1C[C@@H](C)O 258003512 573334460 /nfs/dbraw/zinc/33/44/60/573334460.db2.gz CFGZUBODZUASDL-MRVPVSSYSA-N 0 0 198.693 2.880 10 0 AFAERN O=C1C[C@@H]2CC(C3CCCC3)=C[C@@H]12 117418574 573334494 /nfs/dbraw/zinc/33/44/94/573334494.db2.gz ODRCKIZDEYMNAG-WDEREUQCSA-N 0 0 176.259 2.712 10 0 AFAERN Cc1coc([C@@H](O)C2(C)CCC2)c1 715773112 573334616 /nfs/dbraw/zinc/33/46/16/573334616.db2.gz KQIGLLSQUINGML-SNVBAGLBSA-N 0 0 180.247 2.812 10 0 AFAERN C/C=C\[C@H](O)/C=C\c1ccccc1 222670933 573334705 /nfs/dbraw/zinc/33/47/05/573334705.db2.gz MSJICFQDAQYOOH-RLNNOMQWSA-N 0 0 174.243 2.637 10 0 AFAERN CC(C)(ON)c1ccc(Cl)s1 259423350 573334729 /nfs/dbraw/zinc/33/47/29/573334729.db2.gz JUNXHYQVCGXBFE-UHFFFAOYSA-N 0 0 191.683 2.527 10 0 AFAERN CCCCNc1nccc(Cl)c1N 74378157 573334874 /nfs/dbraw/zinc/33/48/74/573334874.db2.gz OZFCKLKRAVHJJH-UHFFFAOYSA-N 0 0 199.685 2.529 10 0 AFAERN Cc1cccc(-c2cc(C)nn2C)c1 259085989 573337718 /nfs/dbraw/zinc/33/77/18/573337718.db2.gz ORXOVAICCFNOSQ-UHFFFAOYSA-N 0 0 186.258 2.704 10 0 AFAERN CCc1ccc(C)c(NC(C)=O)c1C 238355487 573337759 /nfs/dbraw/zinc/33/77/59/573337759.db2.gz URVUZFODUMONKK-UHFFFAOYSA-N 0 0 191.274 2.824 10 0 AFAERN COC(=O)[C@@H](C)[C@H](C)c1cccs1 259608899 573338009 /nfs/dbraw/zinc/33/80/09/573338009.db2.gz HBGCZIAHYBMFMM-YUMQZZPRSA-N 0 0 198.287 2.661 10 0 AFAERN CC[C@H](O)c1cccc2[nH]ccc12 117410818 573338028 /nfs/dbraw/zinc/33/80/28/573338028.db2.gz JIJMSJKKACYLPQ-NSHDSACASA-N 0 0 175.231 2.611 10 0 AFAERN COC(=O)[C@H](C)[C@@H](C)c1cccs1 259608890 573338073 /nfs/dbraw/zinc/33/80/73/573338073.db2.gz HBGCZIAHYBMFMM-HTQZYQBOSA-N 0 0 198.287 2.661 10 0 AFAERN CCCC1([C@@H](O)c2cccnc2)CC1 308560842 573338081 /nfs/dbraw/zinc/33/80/81/573338081.db2.gz XDYHGKVTIJPKGC-NSHDSACASA-N 0 0 191.274 2.695 10 0 AFAERN COc1cc(C(F)F)ncc1Cl 238355526 573338120 /nfs/dbraw/zinc/33/81/20/573338120.db2.gz MPTDTNJUVLFLPA-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN COc1cc(F)cc2occc12 238354648 573338173 /nfs/dbraw/zinc/33/81/73/573338173.db2.gz YFPAFESNTPGDDI-UHFFFAOYSA-N 0 0 166.151 2.581 10 0 AFAERN COc1ccc(C2=CCCC2)c(O)c1 238355552 573338275 /nfs/dbraw/zinc/33/82/75/573338275.db2.gz ZQMPMXWMIPZHLR-UHFFFAOYSA-N 0 0 190.242 2.968 10 0 AFAERN COc1ccc(C(F)F)c(Cl)n1 238355740 573338302 /nfs/dbraw/zinc/33/83/02/573338302.db2.gz ZMVRUTQAWJDFPE-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN c1cc(-c2ccc3c(c2)CCC3)on1 259091140 573342045 /nfs/dbraw/zinc/34/20/45/573342045.db2.gz DTSAZISWFWLKHC-UHFFFAOYSA-N 0 0 185.226 2.830 10 0 AFAERN Cc1ccc(C)n1CCOC(C)(C)C 308555680 573342109 /nfs/dbraw/zinc/34/21/09/573342109.db2.gz PZBFDUQSHQOGQS-UHFFFAOYSA-N 0 0 195.306 2.920 10 0 AFAERN CCOc1nc(C)cc2ccccc12 74387709 573342128 /nfs/dbraw/zinc/34/21/28/573342128.db2.gz OQAMNZTWPPAXJZ-UHFFFAOYSA-N 0 0 187.242 2.942 10 0 AFAERN CC(C)=Cc1nc2c(N)cccc2o1 74413359 573342164 /nfs/dbraw/zinc/34/21/64/573342164.db2.gz NXEDKXIYKZJZHL-UHFFFAOYSA-N 0 0 188.230 2.833 10 0 AFAERN CCC[C@H](OC)[C@@H](O)C(CC)CC 132809006 573342203 /nfs/dbraw/zinc/34/22/03/573342203.db2.gz UPAFONFHLCBEQG-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN CCSCCC[C@H]1CCCC1=O 129590921 573342233 /nfs/dbraw/zinc/34/22/33/573342233.db2.gz JFQXBQVBCSUIKY-SECBINFHSA-N 0 0 186.320 2.889 10 0 AFAERN CC(C)Nc1onc2ccc(F)cc12 107080408 573342390 /nfs/dbraw/zinc/34/23/90/573342390.db2.gz OOIGCCJYZHWGJS-UHFFFAOYSA-N 0 0 194.209 2.787 10 0 AFAERN CCC(C)(C)OCCn1cccc1 308555670 573342413 /nfs/dbraw/zinc/34/24/13/573342413.db2.gz PWIQUFSQHBEKMS-UHFFFAOYSA-N 0 0 181.279 2.693 10 0 AFAERN COc1nccc2cccc(C)c12 74387597 573342500 /nfs/dbraw/zinc/34/25/00/573342500.db2.gz AUIJMCJUNQWKFY-UHFFFAOYSA-N 0 0 173.215 2.552 10 0 AFAERN CC(C)Nc1onc2ccccc12 107078314 573342585 /nfs/dbraw/zinc/34/25/85/573342585.db2.gz VNWAYJOJRLCTDC-UHFFFAOYSA-N 0 0 176.219 2.648 10 0 AFAERN C[C@@H](F)c1ccccc1C1(O)CC1 258005017 573342630 /nfs/dbraw/zinc/34/26/30/573342630.db2.gz MFFNDKMNBMYFKK-MRVPVSSYSA-N 0 0 180.222 2.699 10 0 AFAERN CCc1ccc(C)cc1[S-] 238356931 573342674 /nfs/dbraw/zinc/34/26/74/573342674.db2.gz MADCMMAMNVDLGF-UHFFFAOYSA-N 0 0 152.262 2.846 10 0 AFAERN Cc1sc(-c2ccco2)nc1C=O 258634236 573342682 /nfs/dbraw/zinc/34/26/82/573342682.db2.gz RMOUNEBFJKROMQ-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN COc1ccc(C(F)F)nc1Cl 238356597 573342757 /nfs/dbraw/zinc/34/27/57/573342757.db2.gz IEKBRVSODQQLKE-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN COc1ccc(N)c2oc(C)c(C)c12 238364723 573347838 /nfs/dbraw/zinc/34/78/38/573347838.db2.gz QWGCGUSGZRJSAZ-UHFFFAOYSA-N 0 0 191.230 2.640 10 0 AFAERN COc1c(C)ccc2sncc12 238365115 573347847 /nfs/dbraw/zinc/34/78/47/573347847.db2.gz WJBZIHPUHGWUEC-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CCCCc1nnc(/C=C\SC)o1 308359369 573347231 /nfs/dbraw/zinc/34/72/31/573347231.db2.gz LRTPCZWFOCNXLF-SREVYHEPSA-N 0 0 198.291 2.746 10 0 AFAERN COc1ccc2[nH]c(C)c(N=O)c2c1 238363170 573347254 /nfs/dbraw/zinc/34/72/54/573347254.db2.gz YNHQYBLCTDDTAJ-UHFFFAOYSA-N 0 0 190.202 2.883 10 0 AFAERN CCC(CC)[C@@H](O)c1ccncc1C 132826398 573347606 /nfs/dbraw/zinc/34/76/06/573347606.db2.gz XXENYTGPNMQEGG-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CSCCC[C@H]1CCCCC1=O 129592643 573347663 /nfs/dbraw/zinc/34/76/63/573347663.db2.gz PJDOLEINPORZTP-SECBINFHSA-N 0 0 186.320 2.889 10 0 AFAERN COc1ccc(C)c2[nH]c(Cl)nc12 238364728 573347914 /nfs/dbraw/zinc/34/79/14/573347914.db2.gz QNEQAMQXWFEHTN-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1ccncc1C 132831683 573347942 /nfs/dbraw/zinc/34/79/42/573347942.db2.gz RPFHTUASZSBEIC-SKDRFNHKSA-N 0 0 193.290 2.860 10 0 AFAERN c1ccc2c(c1)Cn1cccc1N2 107101019 573348043 /nfs/dbraw/zinc/34/80/43/573348043.db2.gz JYEBWXVQMMCNCM-UHFFFAOYSA-N 0 0 170.215 2.593 10 0 AFAERN CS[C@@H](C)c1cnc(Cl)nc1 117541242 573348150 /nfs/dbraw/zinc/34/81/50/573348150.db2.gz UQDLUYDZZAUYQN-YFKPBYRVSA-N 0 0 188.683 2.554 10 0 AFAERN CC[C@H](C)c1nn(C(C)C)cc1C=O 308556786 573348199 /nfs/dbraw/zinc/34/81/99/573348199.db2.gz SUVDLDFXELVYPY-VIFPVBQESA-N 0 0 194.278 2.790 10 0 AFAERN CCCCc1cc(OC)c(C)cc1N 308558048 573348258 /nfs/dbraw/zinc/34/82/58/573348258.db2.gz VKOFHVMYQKKKRE-UHFFFAOYSA-N 0 0 193.290 2.928 10 0 AFAERN CCC(CC)[C@H](O)c1ccncc1C 132826218 573348615 /nfs/dbraw/zinc/34/86/15/573348615.db2.gz XXENYTGPNMQEGG-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN c1ccc2[nH]c(-c3c[nH]cn3)cc2c1 117495423 573348617 /nfs/dbraw/zinc/34/86/17/573348617.db2.gz UAWXRJPBGZDMHL-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN COc1cccc(C)c1CSC 238365472 573347886 /nfs/dbraw/zinc/34/78/86/573347886.db2.gz UUJBAJNDZOCARR-UHFFFAOYSA-N 0 0 182.288 2.867 10 0 AFAERN CCc1cnccc1[C@@H](O)[C@H](C)CC 132857094 573357211 /nfs/dbraw/zinc/35/72/11/573357211.db2.gz ZOFSPKOZWKAKFB-SKDRFNHKSA-N 0 0 193.290 2.724 10 0 AFAERN Nc1[nH]ccc1-c1ccccc1Cl 258009678 573357271 /nfs/dbraw/zinc/35/72/71/573357271.db2.gz AVJCBZKNYXZWHE-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN Cc1cc(C)c(C2(O)CC2)cc1Cl 214863006 573357310 /nfs/dbraw/zinc/35/73/10/573357310.db2.gz VUEYGIIJKQRWPK-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN Clc1ccccc1N1CC2CC1C2 214758348 573357321 /nfs/dbraw/zinc/35/73/21/573357321.db2.gz JRGDFKRTIFQUBO-UHFFFAOYSA-N 0 0 193.677 2.939 10 0 AFAERN CSC(=N)CCc1ccco1 258493667 573357363 /nfs/dbraw/zinc/35/73/63/573357363.db2.gz ALHADIFTFMEJNQ-UHFFFAOYSA-N 0 0 169.249 2.552 10 0 AFAERN CCCSc1cccc(OC)c1N 129676312 573357470 /nfs/dbraw/zinc/35/74/70/573357470.db2.gz ZZEPPTBKTUCMDJ-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN Cc1cc(C2(O)CC2)cc(Cl)c1C 214862514 573357542 /nfs/dbraw/zinc/35/75/42/573357542.db2.gz DZYDNBZTBYXOMR-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN CCSCc1ccc(C)c(O)c1 258009525 573357566 /nfs/dbraw/zinc/35/75/66/573357566.db2.gz ARVOKRGWZNSKGC-UHFFFAOYSA-N 0 0 182.288 2.954 10 0 AFAERN Cc1ccc(C)c(C2(O)CC2)c1Cl 214862864 573357579 /nfs/dbraw/zinc/35/75/79/573357579.db2.gz YPNYXYJFKYTSOF-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN CCc1cnccc1[C@H](O)[C@H](C)CC 132856945 573357584 /nfs/dbraw/zinc/35/75/84/573357584.db2.gz ZOFSPKOZWKAKFB-BXKDBHETSA-N 0 0 193.290 2.724 10 0 AFAERN CC(C)=C1C(=O)Nc2ccc(F)cc21 117658446 573357704 /nfs/dbraw/zinc/35/77/04/573357704.db2.gz AHHSUNRDYZQKGV-UHFFFAOYSA-N 0 0 191.205 2.571 10 0 AFAERN CCCC1([C@H](O)C2=CCCCO2)CC1 308561564 573357743 /nfs/dbraw/zinc/35/77/43/573357743.db2.gz XRYRXEAVQYFMFM-LLVKDONJSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H](CO)C1=CCCC(C)(C)C1 238369201 573357881 /nfs/dbraw/zinc/35/78/81/573357881.db2.gz KYOHZPJYLLQMRK-VIFPVBQESA-N 0 0 168.280 2.751 10 0 AFAERN C[C@H](O)CCC[C@@H]1C[C@@H](C)CCC1=O 308561601 573357921 /nfs/dbraw/zinc/35/79/21/573357921.db2.gz FOIYSRXRWJFONU-GARJFASQSA-N 0 0 198.306 2.543 10 0 AFAERN C[C@@H](CO)C1=CCCCCC1 238369222 573357939 /nfs/dbraw/zinc/35/79/39/573357939.db2.gz WCCFBEYRRASYLY-VIFPVBQESA-N 0 0 154.253 2.505 10 0 AFAERN CCCc1c(N)n[nH]c1C1CCCC1 86314525 573361496 /nfs/dbraw/zinc/36/14/96/573361496.db2.gz AYZUHNBXSBZRGV-UHFFFAOYSA-N 0 0 193.294 2.602 10 0 AFAERN CC[C@@H](CO)Cc1sccc1C 259427727 573361637 /nfs/dbraw/zinc/36/16/37/573361637.db2.gz PIJZHEJGENJNQS-SECBINFHSA-N 0 0 184.304 2.618 10 0 AFAERN CC[C@@H](C)c1nn([C@H](C)CC)cc1N 308562888 573361678 /nfs/dbraw/zinc/36/16/78/573361678.db2.gz XDBZDFUROVASMX-RKDXNWHRSA-N 0 0 195.310 2.950 10 0 AFAERN CCCC[C@H](NN)C1=CCCCCC1 233027854 573361787 /nfs/dbraw/zinc/36/17/87/573361787.db2.gz JBPBWYOYYNFPJZ-LBPRGKRZSA-N 0 0 196.338 2.899 10 0 AFAERN CCCC(CCC)[C@]1(O)C[C@@H]1C 133012369 573361942 /nfs/dbraw/zinc/36/19/42/573361942.db2.gz ZJNZFDLXCOUSRR-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1ccc([C@@H](C)NOC)s1 132995549 573361968 /nfs/dbraw/zinc/36/19/68/573361968.db2.gz SBAPPYSGTIUMIW-SSDOTTSWSA-N 0 0 185.292 2.523 10 0 AFAERN CC(C)C[S@](=O)Cc1ccccc1 196725464 573362062 /nfs/dbraw/zinc/36/20/62/573362062.db2.gz CVFFHWRXMMGPNZ-ZDUSSCGKSA-N 0 0 196.315 2.591 10 0 AFAERN CC[C@H](C)c1nn([C@@H](C)CC)cc1N 308562886 573362107 /nfs/dbraw/zinc/36/21/07/573362107.db2.gz XDBZDFUROVASMX-IUCAKERBSA-N 0 0 195.310 2.950 10 0 AFAERN C[C@@H]1Sc2ccccc2C(=O)[C@H]1C 86308368 573362136 /nfs/dbraw/zinc/36/21/36/573362136.db2.gz MJCCTFHIKVJQFC-YUMQZZPRSA-N 0 0 192.283 3.000 10 0 AFAERN CCC(CC)NC(=O)/C=C/C(C)C 308368651 573362162 /nfs/dbraw/zinc/36/21/62/573362162.db2.gz PHCLVLRFBXNEDJ-BQYQJAHWSA-N 0 0 183.295 2.503 10 0 AFAERN CCCC(CCC)[C@@]1(O)C[C@@H]1C 133012590 573362169 /nfs/dbraw/zinc/36/21/69/573362169.db2.gz ZJNZFDLXCOUSRR-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCC1([C@H](NN)[C@@H](C)CC(C)C)CC1 308563056 573362189 /nfs/dbraw/zinc/36/21/89/573362189.db2.gz YPFKTJSXWUCMKH-WDEREUQCSA-N 0 0 198.354 2.691 10 0 AFAERN Cc1cccc([C@@H]2CC[C@@H](O)[C@@H]2C)c1 83035694 573365978 /nfs/dbraw/zinc/36/59/78/573365978.db2.gz LXPYZDZEBGOUCL-RAIGVLPGSA-N 0 0 190.286 2.869 10 0 AFAERN CCCC[C@H](O)[C@@H](OCC)C(C)C 133098113 573366040 /nfs/dbraw/zinc/36/60/40/573366040.db2.gz WTPNWJFVXAQEEH-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)CC[C@@H]1CC[C@H](O)[C@@H]1C 83035271 573366120 /nfs/dbraw/zinc/36/61/20/573366120.db2.gz SXWPBTQPDRPIKN-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1c1ccccc1F 83035702 573366200 /nfs/dbraw/zinc/36/62/00/573366200.db2.gz VMHNDDKGDFDJMX-SBMIAAHKSA-N 0 0 194.249 2.700 10 0 AFAERN Cc1ccccc1[C@@H]1CC[C@@H](O)[C@@H]1C 83036514 573366238 /nfs/dbraw/zinc/36/62/38/573366238.db2.gz CMBMCGYSRCRVGB-RAIGVLPGSA-N 0 0 190.286 2.869 10 0 AFAERN Cc1cc(C[C@@H](C)O)cc(Cl)c1C 258008199 573366294 /nfs/dbraw/zinc/36/62/94/573366294.db2.gz CPLKSDGNRYJHEZ-MRVPVSSYSA-N 0 0 198.693 2.880 10 0 AFAERN O=Cc1ccc(C2CCCC2)nc1 107125206 573366318 /nfs/dbraw/zinc/36/63/18/573366318.db2.gz DFIXWCYXFNOGQS-UHFFFAOYSA-N 0 0 175.231 2.552 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1ccccc1F 83035710 573366477 /nfs/dbraw/zinc/36/64/77/573366477.db2.gz VMHNDDKGDFDJMX-AUTRQRHGSA-N 0 0 194.249 2.700 10 0 AFAERN CCC[C@@](C)(CC)C(=O)OC1CC1 308369383 573366492 /nfs/dbraw/zinc/36/64/92/573366492.db2.gz PPZXDDQYEVTXQO-LLVKDONJSA-N 0 0 184.279 2.908 10 0 AFAERN Cc1cccc([C@@H]2CC[C@H](O)[C@@H]2C)c1 83035685 573366509 /nfs/dbraw/zinc/36/65/09/573366509.db2.gz LXPYZDZEBGOUCL-RTXFEEFZSA-N 0 0 190.286 2.869 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1Cc1cccs1 83036899 573366540 /nfs/dbraw/zinc/36/65/40/573366540.db2.gz ISAZMRITVMSPEX-NGZCFLSTSA-N 0 0 196.315 2.698 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1ccc(F)cc1 83036678 573366649 /nfs/dbraw/zinc/36/66/49/573366649.db2.gz HSNMMZPSMMJRMS-UWJYBYFXSA-N 0 0 194.249 2.700 10 0 AFAERN CCC[C@@H](C)CNOCC(C)C 133105157 573366676 /nfs/dbraw/zinc/36/66/76/573366676.db2.gz RNSMMONBXWKOFX-SNVBAGLBSA-N 0 0 173.300 2.600 10 0 AFAERN CCON[C@@H](CC)C[C@H](C)CC 133054799 573366694 /nfs/dbraw/zinc/36/66/94/573366694.db2.gz ARKVAUMENLVDKS-ZJUUUORDSA-N 0 0 173.300 2.742 10 0 AFAERN O=[N+]([O-])/C=C/c1cc(Cl)cs1 86334422 573366743 /nfs/dbraw/zinc/36/67/43/573366743.db2.gz ATCYSHWVWDXYHD-OWOJBTEDSA-N 0 0 189.623 2.649 10 0 AFAERN CCCC(CCC)c1cc(N)n(C)n1 132939845 573370721 /nfs/dbraw/zinc/37/07/21/573370721.db2.gz VSDZLWYTADZWAG-UHFFFAOYSA-N 0 0 195.310 2.686 10 0 AFAERN Cc1cc(C[C@H](C)O)cc(Cl)c1C 258008201 573369944 /nfs/dbraw/zinc/36/99/44/573369944.db2.gz CPLKSDGNRYJHEZ-QMMMGPOBSA-N 0 0 198.693 2.880 10 0 AFAERN CC(=O)Cc1c(C)c(C)cc(C)c1F 214771102 573370019 /nfs/dbraw/zinc/37/00/19/573370019.db2.gz CMLVBTNRUCYTQA-UHFFFAOYSA-N 0 0 194.249 2.882 10 0 AFAERN CCC(=O)[C@H](C)CCCSC 129618874 573370071 /nfs/dbraw/zinc/37/00/71/573370071.db2.gz CNBBJHPCTNJMPH-MRVPVSSYSA-N 0 0 174.309 2.745 10 0 AFAERN CC(C)Nc1cccc(Cl)c1C=O 117778692 573370155 /nfs/dbraw/zinc/37/01/55/573370155.db2.gz STDOOBBIEKZMKV-UHFFFAOYSA-N 0 0 197.665 2.973 10 0 AFAERN Cc1ccccc1-c1sncc1N 107134552 573370200 /nfs/dbraw/zinc/37/02/00/573370200.db2.gz XQVBEOGKQKSZJK-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN COc1ccc2c(Cl)c[nH]c2c1F 238370542 573370211 /nfs/dbraw/zinc/37/02/11/573370211.db2.gz CZUHMTNXNYKTJQ-UHFFFAOYSA-N 0 0 199.612 2.969 10 0 AFAERN Cc1cccc(NC(C)C)c1C=O 117766359 573370215 /nfs/dbraw/zinc/37/02/15/573370215.db2.gz OQOXNOZPZJKZQO-UHFFFAOYSA-N 0 0 177.247 2.628 10 0 AFAERN COc1nc(C)c(C)cc1C(F)F 238370050 573370224 /nfs/dbraw/zinc/37/02/24/573370224.db2.gz NUMLEIFEBRBSDG-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN CC(C)(F)CNc1ccccc1F 107130896 573370266 /nfs/dbraw/zinc/37/02/66/573370266.db2.gz HMOJMOGNNIEOTG-UHFFFAOYSA-N 0 0 185.217 2.986 10 0 AFAERN Cc1cccc(COc2cccnc2)c1 126136234 573370271 /nfs/dbraw/zinc/37/02/71/573370271.db2.gz YQVYVMDSKIYFSI-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN CC(C)c1ccccc1N(C)C#N 259099180 573370388 /nfs/dbraw/zinc/37/03/88/573370388.db2.gz AHPPUQJIUIGFRN-UHFFFAOYSA-N 0 0 174.247 2.727 10 0 AFAERN Cc1ccc([C@H](C)F)cc1CCO 258014267 573370408 /nfs/dbraw/zinc/37/04/08/573370408.db2.gz HRAPSFXBILXMKW-VIFPVBQESA-N 0 0 182.238 2.560 10 0 AFAERN CC(C)[C@H](C)[C@@H]1CCCC1=O 117795002 573370442 /nfs/dbraw/zinc/37/04/42/573370442.db2.gz RIXYJGHKYVBWMJ-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN COc1c(C)ncc(C(F)F)c1C 238370369 573370456 /nfs/dbraw/zinc/37/04/56/573370456.db2.gz GVCMUPVWCYDWDC-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN CC[C@@H](C)[C@H](C)NOCC(C)C 133115433 573370565 /nfs/dbraw/zinc/37/05/65/573370565.db2.gz SLYZELWENUFZAL-ZJUUUORDSA-N 0 0 173.300 2.598 10 0 AFAERN CCCC(CCC)c1cc(N)n[nH]1 132939200 573370679 /nfs/dbraw/zinc/37/06/79/573370679.db2.gz HBTLKIZFVZDPDY-UHFFFAOYSA-N 0 0 181.283 2.676 10 0 AFAERN CCC[C@H](C)CNOCC(C)C 133105311 573370709 /nfs/dbraw/zinc/37/07/09/573370709.db2.gz RNSMMONBXWKOFX-JTQLQIEISA-N 0 0 173.300 2.600 10 0 AFAERN CC(C)[C@H](C)[C@H]1CCCC1=O 117795007 573370754 /nfs/dbraw/zinc/37/07/54/573370754.db2.gz RIXYJGHKYVBWMJ-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cccc2c1[C@H]([C@H](C)O)CS2 258324825 573370802 /nfs/dbraw/zinc/37/08/02/573370802.db2.gz WQUHQCSAUHSCLQ-IUCAKERBSA-N 0 0 194.299 2.565 10 0 AFAERN C[C@@H]1C[C@@]1(C)/C=C/C(=O)OC(C)(C)C 714682603 573370895 /nfs/dbraw/zinc/37/08/95/573370895.db2.gz YFBUGBSAXLTRSB-HHPMHXJSSA-N 0 0 196.290 2.930 10 0 AFAERN F[C@H](c1ccnc(Cl)n1)C1CC1 117776222 573370911 /nfs/dbraw/zinc/37/09/11/573370911.db2.gz IXHUHIOXTCIMTK-ZETCQYMHSA-N 0 0 186.617 2.551 10 0 AFAERN CC1(C)Nc2cccc(F)c2CO1 117787026 573370963 /nfs/dbraw/zinc/37/09/63/573370963.db2.gz AFXNICBEUBBDCW-UHFFFAOYSA-N 0 0 181.210 2.504 10 0 AFAERN Clc1ccccc1-c1cncnc1 117765445 573370973 /nfs/dbraw/zinc/37/09/73/573370973.db2.gz DKCLEZNUVAROHK-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN C[C@H](F)c1cccc([C@@H](C)CO)c1 258014149 573371012 /nfs/dbraw/zinc/37/10/12/573371012.db2.gz HPZUKPCLDIDUMZ-IUCAKERBSA-N 0 0 182.238 2.813 10 0 AFAERN CC(=O)Cc1cccc2cc(C)[nH]c12 258014868 573371030 /nfs/dbraw/zinc/37/10/30/573371030.db2.gz JGHRAXZAKKCZBQ-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC1=C[C@@H]2CCC(=O)C[C@H]2CC1 214763440 573371107 /nfs/dbraw/zinc/37/11/07/573371107.db2.gz GWPJCGFOEAHHLI-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1CCCc2ccc(CCO)cc21 258016570 573371145 /nfs/dbraw/zinc/37/11/45/573371145.db2.gz HTBBGJGBFGSDEO-SNVBAGLBSA-N 0 0 190.286 2.661 10 0 AFAERN CC1(C)C[C@H]1c1ccc(O)cc1 258015844 573371158 /nfs/dbraw/zinc/37/11/58/573371158.db2.gz NNJVMMAAFJKSMI-JTQLQIEISA-N 0 0 162.232 2.906 10 0 AFAERN CCC[C@@H](C)C[C@@H](NC)C(F)(F)F 126132392 573371213 /nfs/dbraw/zinc/37/12/13/573371213.db2.gz MBYBUTZCDAJDQB-HTQZYQBOSA-N 0 0 197.244 2.963 10 0 AFAERN O=Cc1cnsc1-c1ccccc1 107133939 573371228 /nfs/dbraw/zinc/37/12/28/573371228.db2.gz PCLFVRJMGIRUGK-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN CSCCCC(=O)C1CCCC1 129622972 573371250 /nfs/dbraw/zinc/37/12/50/573371250.db2.gz GRRNJVALVFNKKN-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CCCC(CCC)c1cc(N)no1 133052240 573371254 /nfs/dbraw/zinc/37/12/54/573371254.db2.gz OYAZCWDKCHAVQZ-UHFFFAOYSA-N 0 0 182.267 2.941 10 0 AFAERN CCSCCCCC(=O)C1CC1 129616886 573371264 /nfs/dbraw/zinc/37/12/64/573371264.db2.gz RTURBVYJGZVPGI-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CC1=CC[C@H](c2ccccc2O)OC1 223053907 573371317 /nfs/dbraw/zinc/37/13/17/573371317.db2.gz RBRNUULQNVKNIS-GFCCVEGCSA-N 0 0 190.242 2.800 10 0 AFAERN COc1c(C(F)F)cc(C)nc1C 238369633 573371358 /nfs/dbraw/zinc/37/13/58/573371358.db2.gz UOEVOHNNPYZVAX-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN Cc1ccc(CC2CC2)c(N)c1 258637676 573371360 /nfs/dbraw/zinc/37/13/60/573371360.db2.gz YLUQREFVLJJHRH-UHFFFAOYSA-N 0 0 161.248 2.530 10 0 AFAERN CSCCC[C@@H](C(C)=O)C(C)C 129615924 573371372 /nfs/dbraw/zinc/37/13/72/573371372.db2.gz IUUKNNDHKMAVKH-SNVBAGLBSA-N 0 0 188.336 2.991 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](CCC(C)(C)O)C1 86355159 573379410 /nfs/dbraw/zinc/37/94/10/573379410.db2.gz LYUDZFBNIBSHBL-ZJUUUORDSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@](O)(c1ccccc1)C1CC1 83058324 573379429 /nfs/dbraw/zinc/37/94/29/573379429.db2.gz WKCHRTNRQQACLM-LBPRGKRZSA-N 0 0 176.259 2.694 10 0 AFAERN Cc1cc(-c2ccc3nc[nH]c3c2)on1 259430003 573378718 /nfs/dbraw/zinc/37/87/18/573378718.db2.gz ZRJAVOKFFQRLNR-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN CC(C)C(=O)C[C@H]1CCCCC[C@@H]1O 86353076 573379468 /nfs/dbraw/zinc/37/94/68/573379468.db2.gz JXBFNJSWSRODGT-MNOVXSKESA-N 0 0 198.306 2.543 10 0 AFAERN C=Cc1c(C)cc(C)c(C)c1O 117872045 573378744 /nfs/dbraw/zinc/37/87/44/573378744.db2.gz VKCUKRIQGKLISW-UHFFFAOYSA-N 0 0 162.232 2.960 10 0 AFAERN CC(=O)C[C@@H]1CCC[C@H](C)C1 86352508 573378750 /nfs/dbraw/zinc/37/87/50/573378750.db2.gz AISWNCIZOFFQGZ-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)(O)CC[C@H]1CCCCCC1=O 86354754 573379474 /nfs/dbraw/zinc/37/94/74/573379474.db2.gz AEGRMOORQPWGMQ-SNVBAGLBSA-N 0 0 198.306 2.687 10 0 AFAERN OC1(c2ccc3occc3c2F)CC1 258016764 573378787 /nfs/dbraw/zinc/37/87/87/573378787.db2.gz HVDNPSXCBPDTAM-UHFFFAOYSA-N 0 0 192.189 2.553 10 0 AFAERN CCC[C@H](C)OC(=O)C1CC(C)C1 308371844 573378793 /nfs/dbraw/zinc/37/87/93/573378793.db2.gz QNNODRMZLLFNEP-KYHHOPLUSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@](O)(C1CCCC1)C1CC1 83058593 573378869 /nfs/dbraw/zinc/37/88/69/573378869.db2.gz KMOVTCFEUDPLST-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN COc1ccc2cc(C)[nH]c2c1F 238373576 573379001 /nfs/dbraw/zinc/37/90/01/573379001.db2.gz GWSVYZKPDLFODF-UHFFFAOYSA-N 0 0 179.194 2.624 10 0 AFAERN C[C@H]1CNc2ccc(OC(F)F)cc21 235577994 573379060 /nfs/dbraw/zinc/37/90/60/573379060.db2.gz TUFRRGMDDVXWFQ-LURJTMIESA-N 0 0 199.200 2.817 10 0 AFAERN CC[C@](O)(CC(C)C)C1CC1 83058441 573379064 /nfs/dbraw/zinc/37/90/64/573379064.db2.gz IIOYKKVSXTXGSP-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN C/C=C/C=C/[C@@H](O)CCCC 78064005 573379078 /nfs/dbraw/zinc/37/90/78/573379078.db2.gz UTBYGUXRTIARHU-SJZHLWPKSA-N 0 0 154.253 2.670 10 0 AFAERN CC[C@@H](Nc1cccnc1)C1CC1 83054017 573379182 /nfs/dbraw/zinc/37/91/82/573379182.db2.gz WIAGHONCRQDLNA-LLVKDONJSA-N 0 0 176.263 2.682 10 0 AFAERN CC(C)COc1cccc2c1NCC2 258017573 573379185 /nfs/dbraw/zinc/37/91/85/573379185.db2.gz NDNZECUVDNIFJM-UHFFFAOYSA-N 0 0 191.274 2.689 10 0 AFAERN CC[C@H](C)[C@H](CC1(CC)CCC1)NN 308565830 573379208 /nfs/dbraw/zinc/37/92/08/573379208.db2.gz HQYVYAMCFLOCTM-QWRGUYRKSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1ccc2c(c1)sc1nccn12 259093628 573379237 /nfs/dbraw/zinc/37/92/37/573379237.db2.gz DXPNVXMSLHPSOG-UHFFFAOYSA-N 0 0 188.255 2.857 10 0 AFAERN CCCC(=O)c1ccc(Cl)cc1N 83053419 573379243 /nfs/dbraw/zinc/37/92/43/573379243.db2.gz WFLFOLYRZASZBD-UHFFFAOYSA-N 0 0 197.665 2.905 10 0 AFAERN CC(C)C(=O)C[C@H]1CCCCC[C@H]1O 86353079 573379304 /nfs/dbraw/zinc/37/93/04/573379304.db2.gz JXBFNJSWSRODGT-GHMZBOCLSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](C(C)=O)C1CCCC1 86353651 573379393 /nfs/dbraw/zinc/37/93/93/573379393.db2.gz YEOPAVHNNCOKHN-SNVBAGLBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1c(C2CCCCC2)ccc[n+]1[O-] 117986364 573379535 /nfs/dbraw/zinc/37/95/35/573379535.db2.gz DJZBSJQNEMFMSO-UHFFFAOYSA-N 0 0 191.274 2.676 10 0 AFAERN CC[C@H]1CCC(=O)[C@H](CC(C)(C)O)C1 86355441 573379578 /nfs/dbraw/zinc/37/95/78/573379578.db2.gz NEQASKJGRYNULE-UWVGGRQHSA-N 0 0 198.306 2.543 10 0 AFAERN OCc1ncccc1C1CCCCC1 117983481 573379676 /nfs/dbraw/zinc/37/96/76/573379676.db2.gz JXAMMSALMCEGNM-UHFFFAOYSA-N 0 0 191.274 2.622 10 0 AFAERN CC[C@H](CC(F)(F)F)C(C)=O 86353765 573379752 /nfs/dbraw/zinc/37/97/52/573379752.db2.gz SVGCGCDEKQAWBA-ZCFIWIBFSA-N 0 0 168.158 2.554 10 0 AFAERN CC(C)C(=O)C[C@@H]1CCCCC[C@@H]1O 86353074 573379767 /nfs/dbraw/zinc/37/97/67/573379767.db2.gz JXBFNJSWSRODGT-QWRGUYRKSA-N 0 0 198.306 2.543 10 0 AFAERN COC(=O)C1(CC(C)(C)C)CCC1 259099982 573379770 /nfs/dbraw/zinc/37/97/70/573379770.db2.gz JZZVEWLJMUSCNB-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN O=C1CCCCC[C@H]1C[C@H]1CCOC1 86354711 573379785 /nfs/dbraw/zinc/37/97/85/573379785.db2.gz KBRSLENYPNVGST-MNOVXSKESA-N 0 0 196.290 2.562 10 0 AFAERN CCC(=O)[C@H](C)C[C@@H]1CCC[C@@H](O)C1 308565219 573379789 /nfs/dbraw/zinc/37/97/89/573379789.db2.gz HKORNDZDASNANB-OUAUKWLOSA-N 0 0 198.306 2.543 10 0 AFAERN O=C1c2ccccc2C[C@@H]1CC(F)F 86354434 573379833 /nfs/dbraw/zinc/37/98/33/573379833.db2.gz LCFXMPWUGUKEDJ-MRVPVSSYSA-N 0 0 196.196 2.697 10 0 AFAERN C[C@H]1CCC(=O)[C@@H](CC(F)(F)F)C1 86355000 573379851 /nfs/dbraw/zinc/37/98/51/573379851.db2.gz TVNVDSYAIYOCGF-NKWVEPMBSA-N 0 0 194.196 2.944 10 0 AFAERN CC(C)C(=O)c1cc(Cl)ccc1N 117974253 573379863 /nfs/dbraw/zinc/37/98/63/573379863.db2.gz NMOOUZXDILJIGY-UHFFFAOYSA-N 0 0 197.665 2.761 10 0 AFAERN CC[C@@H](C)[C@@H](CC1(CC)CCC1)NN 308565828 573379947 /nfs/dbraw/zinc/37/99/47/573379947.db2.gz HQYVYAMCFLOCTM-GHMZBOCLSA-N 0 0 198.354 2.835 10 0 AFAERN CO[C@@H]1CCC[C@H]([C@@H]2CCCC2=O)C1 86353976 573379949 /nfs/dbraw/zinc/37/99/49/573379949.db2.gz YOZMSAZNMGEWTM-AXFHLTTASA-N 0 0 196.290 2.561 10 0 AFAERN O=C1CCCC[C@H]1C[C@@H]1CCCCO1 86354280 573379992 /nfs/dbraw/zinc/37/99/92/573379992.db2.gz RTUGAEXVYZYIRI-QWRGUYRKSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@](O)(c1ccc(F)cc1)C1CC1 83058642 573380016 /nfs/dbraw/zinc/38/00/16/573380016.db2.gz HGTGKTSYEGPACC-GFCCVEGCSA-N 0 0 194.249 2.833 10 0 AFAERN O=C1c2ccccc2C[C@H]1CC1CC1 86354380 573380097 /nfs/dbraw/zinc/38/00/97/573380097.db2.gz GZGYMTXWQJAKGR-LLVKDONJSA-N 0 0 186.254 2.842 10 0 AFAERN CCC[C@H](C)Nc1ccnc(OC)c1 133162787 573380105 /nfs/dbraw/zinc/38/01/05/573380105.db2.gz GKMWVFBEUVOWSJ-VIFPVBQESA-N 0 0 194.278 2.691 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](CC2CC2)C1 86354867 573380117 /nfs/dbraw/zinc/38/01/17/573380117.db2.gz RWQGRDRNAOCOIK-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1sc(=S)[nH]c1C1CC1 83058944 573380130 /nfs/dbraw/zinc/38/01/30/573380130.db2.gz VJSNFKXJUBOVOK-UHFFFAOYSA-N 0 0 171.290 2.618 10 0 AFAERN CCN[C@@H](CCC1CC1)C(F)(F)F 129927130 573380152 /nfs/dbraw/zinc/38/01/52/573380152.db2.gz KDMUIIQKLMSDTF-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN CCOc1cccc(SCC)c1N 129675479 573380184 /nfs/dbraw/zinc/38/01/84/573380184.db2.gz ZZPAOSXDLYHKEA-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN O=C1CCCCC[C@@H]1C[C@H]1CCOC1 86354710 573380220 /nfs/dbraw/zinc/38/02/20/573380220.db2.gz KBRSLENYPNVGST-GHMZBOCLSA-N 0 0 196.290 2.562 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](CC(F)(F)F)C1 86354994 573380231 /nfs/dbraw/zinc/38/02/31/573380231.db2.gz TVNVDSYAIYOCGF-RQJHMYQMSA-N 0 0 194.196 2.944 10 0 AFAERN CC[C@H](CC1CCC1)[C@@H](C)O 86358571 573384489 /nfs/dbraw/zinc/38/44/89/573384489.db2.gz DILGHKYZTPLBMO-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@](O)(C1CCCC1)C1CC1 83058592 573384618 /nfs/dbraw/zinc/38/46/18/573384618.db2.gz KMOVTCFEUDPLST-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)[C@H](O)c1ccc(Cl)cc1N 83053531 573383804 /nfs/dbraw/zinc/38/38/04/573383804.db2.gz QTSACLNLUGPNBC-JTQLQIEISA-N 0 0 199.681 2.612 10 0 AFAERN CC[C@H](C1CCCC1)[C@H](C)O 86358660 573383868 /nfs/dbraw/zinc/38/38/68/573383868.db2.gz XVVHOQNARYSYHB-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN COc1cccc(F)c1OC(C)C 238375354 573383882 /nfs/dbraw/zinc/38/38/82/573383882.db2.gz GEMBVWQOVFMMAJ-UHFFFAOYSA-N 0 0 184.210 2.622 10 0 AFAERN C1=C(c2cc3ccccc3[nH]2)CCO1 117995097 573383888 /nfs/dbraw/zinc/38/38/88/573383888.db2.gz BAPCIDIRHDGBDG-UHFFFAOYSA-N 0 0 185.226 2.929 10 0 AFAERN CC1CCC(C[C@@H](C)O)CC1 86358174 573383897 /nfs/dbraw/zinc/38/38/97/573383897.db2.gz ZSFOAKJJTRQHAU-HWOCKDDLSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@](O)(CC(C)C)C1CC1 83058439 573383925 /nfs/dbraw/zinc/38/39/25/573383925.db2.gz IIOYKKVSXTXGSP-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](Nc1cccnc1)C1CC1 83054016 573383930 /nfs/dbraw/zinc/38/39/30/573383930.db2.gz WIAGHONCRQDLNA-NSHDSACASA-N 0 0 176.263 2.682 10 0 AFAERN C[C@H]1CNc2ccc(Cl)cc2OC1 259431719 573383993 /nfs/dbraw/zinc/38/39/93/573383993.db2.gz ZFEYFOJLLVPWCR-ZETCQYMHSA-N 0 0 197.665 2.780 10 0 AFAERN Clc1ccccc1-c1ccon1 118092130 573384046 /nfs/dbraw/zinc/38/40/46/573384046.db2.gz SPRITDNDMXTXIE-UHFFFAOYSA-N 0 0 179.606 2.995 10 0 AFAERN CCC[C@H](O)c1ccc(Cl)cc1N 83053513 573384081 /nfs/dbraw/zinc/38/40/81/573384081.db2.gz BKZNEYIUIFUFAM-JTQLQIEISA-N 0 0 199.681 2.756 10 0 AFAERN CC[C@H](C)NC(=O)Nc1cccs1 74754111 573384147 /nfs/dbraw/zinc/38/41/47/573384147.db2.gz BGKJDVIEHCTOFQ-ZETCQYMHSA-N 0 0 198.291 2.668 10 0 AFAERN CC[C@H](O)C[C@H]1CCC[C@H](C)C1 86359307 573384151 /nfs/dbraw/zinc/38/41/51/573384151.db2.gz VFLTUSIAJMOZFO-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)C[C@@H](CC1(C)CCC1)NN 308567754 573384184 /nfs/dbraw/zinc/38/41/84/573384184.db2.gz IQJHNOKUPUQBGT-QWRGUYRKSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1cccc2c1c([C@H](C)O)cn2C 258011256 573384242 /nfs/dbraw/zinc/38/42/42/573384242.db2.gz XRNIJTFTOGWISU-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN COc1ccc2cc(Cl)[nH]c2c1F 238374478 573384324 /nfs/dbraw/zinc/38/43/24/573384324.db2.gz FCZRSKWQDFEKDL-UHFFFAOYSA-N 0 0 199.612 2.969 10 0 AFAERN CC[C@H](O)C[C@@H]1CCC[C@H](C)C1 86359305 573384358 /nfs/dbraw/zinc/38/43/58/573384358.db2.gz VFLTUSIAJMOZFO-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CCC(=O)[C@H](C)[C@@H]1CCCCC[C@@H]1O 86356820 573384384 /nfs/dbraw/zinc/38/43/84/573384384.db2.gz QBJJZCYGSXEKRM-SCVCMEIPSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](C1CCCCC1)[C@H](C)O 86358438 573384436 /nfs/dbraw/zinc/38/44/36/573384436.db2.gz BIWVODCFDNTXBK-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C1CCCCC1)[C@@H](C)O 86358434 573386465 /nfs/dbraw/zinc/38/64/65/573386465.db2.gz BIWVODCFDNTXBK-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C1CCCC1)[C@@H](C)O 86358657 573386485 /nfs/dbraw/zinc/38/64/85/573386485.db2.gz XVVHOQNARYSYHB-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@@H](O)CCC1CCC1 86359529 573386516 /nfs/dbraw/zinc/38/65/16/573386516.db2.gz IQNUDXVNCYQGDH-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN O=C(CCCC1CC1)C1CC1 86356677 573385834 /nfs/dbraw/zinc/38/58/34/573385834.db2.gz RVJQMBZLKCQMCN-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN COc1ccc(Cl)c2c1OCCC2 238375617 573385843 /nfs/dbraw/zinc/38/58/43/573385843.db2.gz XXRPFFLIDSESCN-UHFFFAOYSA-N 0 0 198.649 2.674 10 0 AFAERN CC(C)(C)[C@@]1(C)CS1 118073121 573385845 /nfs/dbraw/zinc/38/58/45/573385845.db2.gz AFAGBKWQNMBFSX-SSDOTTSWSA-N 0 0 130.256 2.538 10 0 AFAERN CCC(CC)[C@@H](CC1(C)CCC1)NN 308566330 573385848 /nfs/dbraw/zinc/38/58/48/573385848.db2.gz HWCJQACRUOQLAK-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN CC[C@@H](CC1CCC1)[C@H](C)O 86358574 573385877 /nfs/dbraw/zinc/38/58/77/573385877.db2.gz DILGHKYZTPLBMO-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1CCC[C@H](C[C@@H](C)O)C1 86358258 573385920 /nfs/dbraw/zinc/38/59/20/573385920.db2.gz AARGDXNGCXFJJO-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN O=C(CCC1CCC1)C1CC1 86356628 573385938 /nfs/dbraw/zinc/38/59/38/573385938.db2.gz DQTWPRPLQHWJGI-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CCC[C@H](O)CCCc1cccnc1 86358900 573385953 /nfs/dbraw/zinc/38/59/53/573385953.db2.gz HOAAHJXXTNKCNE-LBPRGKRZSA-N 0 0 193.290 2.565 10 0 AFAERN CCC(=O)[C@H](C)[C@H]1CCCCC[C@@H]1O 86356823 573386044 /nfs/dbraw/zinc/38/60/44/573386044.db2.gz QBJJZCYGSXEKRM-FOGDFJRCSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](O)CC1CCC(C)CC1 86359301 573386188 /nfs/dbraw/zinc/38/61/88/573386188.db2.gz CTOWMNDRTLDWDD-ILDUYXDCSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C1CCCC1)[C@@H](C)O 86358655 573386200 /nfs/dbraw/zinc/38/62/00/573386200.db2.gz XVVHOQNARYSYHB-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](CC1CCC1)[C@H](C)O 86358576 573386221 /nfs/dbraw/zinc/38/62/21/573386221.db2.gz DILGHKYZTPLBMO-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CCC(=O)[C@H](C)[C@H]1CCC[C@H](OC)C1 86356873 573386260 /nfs/dbraw/zinc/38/62/60/573386260.db2.gz LJGBDNDPXQPGRP-VWYCJHECSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H](C)[C@@H](C(C)=O)C(C)C 86356375 573386338 /nfs/dbraw/zinc/38/63/38/573386338.db2.gz LZMXCKHIMPQYCP-SCZZXKLOSA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@@H](O)CC1CCC(C)CC1 86359302 573386344 /nfs/dbraw/zinc/38/63/44/573386344.db2.gz CTOWMNDRTLDWDD-VQXHTEKXSA-N 0 0 170.296 2.974 10 0 AFAERN COc1ccccc1-c1cc(C)c[nH]1 238376750 573386371 /nfs/dbraw/zinc/38/63/71/573386371.db2.gz VGMMTDWYYRPNHE-UHFFFAOYSA-N 0 0 187.242 2.999 10 0 AFAERN CC[C@@H](CC1CCC1)[C@@H](C)O 86358570 573386387 /nfs/dbraw/zinc/38/63/87/573386387.db2.gz DILGHKYZTPLBMO-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)[C@H]1Cc2ccc(O)cc2O1 197335435 573388959 /nfs/dbraw/zinc/38/89/59/573388959.db2.gz HDFMCHDNCBIYHY-GZMMTYOYSA-N 0 0 192.258 2.742 10 0 AFAERN CC(C)[C@H]1CCc2ccc(O)cc2O1 197335507 573389017 /nfs/dbraw/zinc/38/90/17/573389017.db2.gz WXNKWAIMXZZKAI-LLVKDONJSA-N 0 0 192.258 2.742 10 0 AFAERN CC1CCC([C@H](C)[C@@H](C)O)CC1 86360196 573389044 /nfs/dbraw/zinc/38/90/44/573389044.db2.gz SCGODHIADJGHRD-WYNUPADASA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CC[C@@H](O)[C@H](CCC2CC2)C1 86361181 573389062 /nfs/dbraw/zinc/38/90/62/573389062.db2.gz OCECKRCNPFUYID-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](O)c1ccccc1F 118203048 573389078 /nfs/dbraw/zinc/38/90/78/573389078.db2.gz JNQHIGHRPIXPMY-HDBBIHSSSA-N 0 0 180.222 2.515 10 0 AFAERN O[C@H]1c2ccccc2C[C@@H]1CC1CC1 86360724 573388369 /nfs/dbraw/zinc/38/83/69/573388369.db2.gz MMZVFZHEIAAOSO-WCQYABFASA-N 0 0 188.270 2.692 10 0 AFAERN CC(C)(O)c1cc2cc(F)ccc2[nH]1 258310145 573388457 /nfs/dbraw/zinc/38/84/57/573388457.db2.gz VSNCRCYFZSKRLX-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN Cc1ccc([C@H](O)[C@H]2C[C@H]2C)cc1 118208521 573388460 /nfs/dbraw/zinc/38/84/60/573388460.db2.gz QYPZNROKBKXRNC-USWWRNFRSA-N 0 0 176.259 2.684 10 0 AFAERN CC1CCC(C[C@H](O)C2CC2)CC1 86363202 573388462 /nfs/dbraw/zinc/38/84/62/573388462.db2.gz INWBMMGXQPPEPY-CBINBANVSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1CC[C@@H](O)[C@H](C2CCCC2)C1 86361384 573388495 /nfs/dbraw/zinc/38/84/95/573388495.db2.gz IRABXDDOUMGFGU-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@@H](O)[C@@H](C)CC1CCC1 86363596 573388525 /nfs/dbraw/zinc/38/85/25/573388525.db2.gz IMCZXHRNTOEQRC-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@@H](C1CCCC1)[C@@H](C)O 86362954 573389116 /nfs/dbraw/zinc/38/91/16/573389116.db2.gz KIHITCJALOWQMR-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1ccc(C)c([C@H](C)O)c1 258012210 573388535 /nfs/dbraw/zinc/38/85/35/573388535.db2.gz NDCXNQLEDHGQQE-VIFPVBQESA-N 0 0 164.248 2.611 10 0 AFAERN CSCc1cc(F)cnc1Cl 238377287 573388551 /nfs/dbraw/zinc/38/85/51/573388551.db2.gz HOKGGUKLQNPNIH-UHFFFAOYSA-N 0 0 191.658 2.737 10 0 AFAERN Cc1cccc([C@H](O)[C@@H]2C[C@H]2C)c1 118207521 573388552 /nfs/dbraw/zinc/38/85/52/573388552.db2.gz VZFIHPZEEBGZCL-JLLWLGSASA-N 0 0 176.259 2.684 10 0 AFAERN CC[C@@H]1CC[C@@H](O)[C@H](CC(F)F)C1 86361598 573388565 /nfs/dbraw/zinc/38/85/65/573388565.db2.gz PTTXNRCSLBGGSQ-HRDYMLBCSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@@H](CC(C)C)[C@@H](C)CO 238800095 573388601 /nfs/dbraw/zinc/38/86/01/573388601.db2.gz DYBPJNWUGQDDHV-UWVGGRQHSA-N 0 0 158.285 2.687 10 0 AFAERN CC(C)[C@@H]1CCc2ccccc2[C@@H]1O 86360899 573388634 /nfs/dbraw/zinc/38/86/34/573388634.db2.gz MKOLRGADWGLELK-WCQYABFASA-N 0 0 190.286 2.938 10 0 AFAERN CC(C)[C@@H](C1CCCC1)[C@H](C)O 86362958 573388638 /nfs/dbraw/zinc/38/86/38/573388638.db2.gz KIHITCJALOWQMR-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc([C@H](C)[C@@H](C)CO)cc1 238377577 573388654 /nfs/dbraw/zinc/38/86/54/573388654.db2.gz GAFSGIWIQQYZPU-WDEREUQCSA-N 0 0 178.275 2.727 10 0 AFAERN C[C@@H]1CCC[C@@H](C[C@H](O)C2CC2)C1 86363210 573388683 /nfs/dbraw/zinc/38/86/83/573388683.db2.gz LQJXSRBFZLNPHP-FOGDFJRCSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)Cc1cn2c(n1)C[C@@H](C)CC2 258310321 573388692 /nfs/dbraw/zinc/38/86/92/573388692.db2.gz JUFFZYKEJQDJBT-JTQLQIEISA-N 0 0 192.306 2.664 10 0 AFAERN Cc1ccc([C@H](O)[C@@H]2C[C@H]2C)cc1 118208525 573388708 /nfs/dbraw/zinc/38/87/08/573388708.db2.gz QYPZNROKBKXRNC-JLLWLGSASA-N 0 0 176.259 2.684 10 0 AFAERN C/C=C\CCNc1ccc(C)cc1N 308373372 573388719 /nfs/dbraw/zinc/38/87/19/573388719.db2.gz HNOCVPQOQJFNOD-ARJAWSKDSA-N 0 0 190.290 2.955 10 0 AFAERN C[C@@H](O)c1cc2c(F)cccc2o1 258013742 573388729 /nfs/dbraw/zinc/38/87/29/573388729.db2.gz XVXINIGXSOEIDA-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN COc1cc(C)cc2[nH]c(C)cc12 238376945 573388796 /nfs/dbraw/zinc/38/87/96/573388796.db2.gz AGJUVYKGHWEJEJ-UHFFFAOYSA-N 0 0 175.231 2.793 10 0 AFAERN Cc1c(O)ccc2c(F)cccc12 258339746 573388815 /nfs/dbraw/zinc/38/88/15/573388815.db2.gz VKADHASYSQFNLF-UHFFFAOYSA-N 0 0 176.190 2.993 10 0 AFAERN CC[C@H](CO)c1ccccc1Cl 86369396 573388818 /nfs/dbraw/zinc/38/88/18/573388818.db2.gz RPDXYMZWDUVCHA-MRVPVSSYSA-N 0 0 184.666 2.826 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](O)c1cccc(F)c1 118208625 573388837 /nfs/dbraw/zinc/38/88/37/573388837.db2.gz BFFGACYVGCKAFS-ONOSFVFSSA-N 0 0 180.222 2.515 10 0 AFAERN CC1CCC([C@@H](C)[C@@H](C)O)CC1 86360194 573388841 /nfs/dbraw/zinc/38/88/41/573388841.db2.gz SCGODHIADJGHRD-LIZLNQBYSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H]1CCc2ccccc2[C@@H]1O 86360901 573388854 /nfs/dbraw/zinc/38/88/54/573388854.db2.gz MKOLRGADWGLELK-DGCLKSJQSA-N 0 0 190.286 2.938 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@H](CCC2CC2)C1 86361178 573388871 /nfs/dbraw/zinc/38/88/71/573388871.db2.gz OCECKRCNPFUYID-JLLWLGSASA-N 0 0 182.307 2.974 10 0 AFAERN O[C@H]1CCCCC[C@H]1CC(F)F 86360516 573388882 /nfs/dbraw/zinc/38/88/82/573388882.db2.gz SMOGVKRNZVTRED-YUMQZZPRSA-N 0 0 178.222 2.583 10 0 AFAERN COC(=O)C1=C(C)[C@@H](C(C)C)CC1 238377416 573388920 /nfs/dbraw/zinc/38/89/20/573388920.db2.gz LWFVWEXWVXJUKE-SECBINFHSA-N 0 0 182.263 2.542 10 0 AFAERN CCCCCCNOC(C)(C)C 133414763 573396337 /nfs/dbraw/zinc/39/63/37/573396337.db2.gz HKQFXFRIKOMSLG-UHFFFAOYSA-N 0 0 173.300 2.886 10 0 AFAERN COC1=C2CCC[C@H](O)[C@@]2(C)CCC1 238387009 573396380 /nfs/dbraw/zinc/39/63/80/573396380.db2.gz MZWSAEFTJHDHSA-RYUDHWBXSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCCC[C@@H]1C 86387695 573396397 /nfs/dbraw/zinc/39/63/97/573396397.db2.gz VXFFJBXRZGBRBA-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@H]1CCCN1C(=O)C(C)(C)C 74836397 573396484 /nfs/dbraw/zinc/39/64/84/573396484.db2.gz RQTFMGDLIBKGBC-SNVBAGLBSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)[C@]1(O)CCC[C@@H]1C 86388335 573396551 /nfs/dbraw/zinc/39/65/51/573396551.db2.gz UDARBIRQHGEPNY-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ccc(C)o1 86387905 573396555 /nfs/dbraw/zinc/39/65/55/573396555.db2.gz PZOKQFWCEZVLPK-GMSGAONNSA-N 0 0 168.236 2.668 10 0 AFAERN Cc1ccc([C@@H](C)[C@@H](C)CO)cc1 238379899 573396832 /nfs/dbraw/zinc/39/68/32/573396832.db2.gz GAFSGIWIQQYZPU-QWRGUYRKSA-N 0 0 178.275 2.727 10 0 AFAERN CSc1cccc2c1N[C@H](C)C2 238386104 573396880 /nfs/dbraw/zinc/39/68/80/573396880.db2.gz OHNAQWJCQQNYDR-SSDOTTSWSA-N 0 0 179.288 2.765 10 0 AFAERN CC(C)(C)CCNOC(C)(C)C 133418675 573396891 /nfs/dbraw/zinc/39/68/91/573396891.db2.gz BTAXLBSKOUBOJU-UHFFFAOYSA-N 0 0 173.300 2.742 10 0 AFAERN CC[C@H](C)[C@@](O)(CC)C1CC1 86388311 573396926 /nfs/dbraw/zinc/39/69/26/573396926.db2.gz FYHPHEQOTDNPQX-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)[C@]1(O)CC[C@H](C)C1 86388246 573397013 /nfs/dbraw/zinc/39/70/13/573397013.db2.gz ABIBTYNTFQDXQM-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1nc2c(Cl)ccnc2s1 107172481 573397950 /nfs/dbraw/zinc/39/79/50/573397950.db2.gz XASMTEDSNKPNBG-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN CSc1cccc2c1CCCO2 238386605 573398030 /nfs/dbraw/zinc/39/80/30/573398030.db2.gz BBNKEXLNOQCZPH-UHFFFAOYSA-N 0 0 180.272 2.734 10 0 AFAERN COc1ccc2occc2c1F 238385739 573398061 /nfs/dbraw/zinc/39/80/61/573398061.db2.gz UCPVRFXONCXERO-UHFFFAOYSA-N 0 0 166.151 2.581 10 0 AFAERN CCCCC(=O)N[C@@H](C)c1ccco1 74851309 573398102 /nfs/dbraw/zinc/39/81/02/573398102.db2.gz ZNBDHRBOTYXVDH-VIFPVBQESA-N 0 0 195.262 2.647 10 0 AFAERN Cc1[nH]c2cc(F)cc(F)c2c1C=O 257810120 573398150 /nfs/dbraw/zinc/39/81/50/573398150.db2.gz AFAMYCZHFXTFBD-UHFFFAOYSA-N 0 0 195.168 2.567 10 0 AFAERN Cc1ccc(Nc2ccc(C)nc2)cn1 223232909 573398197 /nfs/dbraw/zinc/39/81/97/573398197.db2.gz PHMVRIGVCJPASN-UHFFFAOYSA-N 0 0 199.257 2.837 10 0 AFAERN C=CP(=O)(C=C)CC 118300773 573398203 /nfs/dbraw/zinc/39/82/03/573398203.db2.gz XZEDIALMMZAJTL-UHFFFAOYSA-N 0 0 130.127 2.656 10 0 AFAERN CSc1cccc2c1N[C@@H](C)C2 238386272 573398229 /nfs/dbraw/zinc/39/82/29/573398229.db2.gz OHNAQWJCQQNYDR-ZETCQYMHSA-N 0 0 179.288 2.765 10 0 AFAERN Cc1nc2c(F)cccc2n1C1CC1 107175328 573398359 /nfs/dbraw/zinc/39/83/59/573398359.db2.gz CMHBJHYCTAIHSE-UHFFFAOYSA-N 0 0 190.221 2.819 10 0 AFAERN COC1=C2CCC[C@@H](O)[C@]2(C)CCC1 238386945 573398402 /nfs/dbraw/zinc/39/84/02/573398402.db2.gz MZWSAEFTJHDHSA-VXGBXAGGSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@H](C)[C@H](C)CC(C)=O 86393993 573398415 /nfs/dbraw/zinc/39/84/15/573398415.db2.gz NARSPNRVEKZWIN-JGVFFNPUSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@H](C)C(=O)c1cccc(C)n1 86388949 573398491 /nfs/dbraw/zinc/39/84/91/573398491.db2.gz LAMCVOUSCWKNIL-QMMMGPOBSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1n[nH]c(C)c1Oc1ccccc1 257810101 573398570 /nfs/dbraw/zinc/39/85/70/573398570.db2.gz AEDUIWNHZRQUFA-UHFFFAOYSA-N 0 0 188.230 2.819 10 0 AFAERN CC(C)CC(=O)N[C@H](C)c1ccco1 74851318 573398575 /nfs/dbraw/zinc/39/85/75/573398575.db2.gz WWNZURFSWLULRG-SECBINFHSA-N 0 0 195.262 2.503 10 0 AFAERN CC[C@@H](C)C(C)(C)C[C@@H](C)O 86394255 573398684 /nfs/dbraw/zinc/39/86/84/573398684.db2.gz REVIVTPBOQPCFG-RKDXNWHRSA-N 0 0 158.285 2.830 10 0 AFAERN Cc1ccc([C@@]2(O)C[C@@H]2C)c(Cl)c1 235589638 573398740 /nfs/dbraw/zinc/39/87/40/573398740.db2.gz RJYVBUOBRPKSHV-GZMMTYOYSA-N 0 0 196.677 2.876 10 0 AFAERN CC(C)c1oc(CN)nc1C(C)(C)C 257810085 573398800 /nfs/dbraw/zinc/39/88/00/573398800.db2.gz ADHJPLFPZIZBQJ-UHFFFAOYSA-N 0 0 196.294 2.554 10 0 AFAERN c1ccc(N2C[C@@H]3C[C@@H]3C23CC3)cc1 257810270 573398833 /nfs/dbraw/zinc/39/88/33/573398833.db2.gz AJAMWUGBNIFFSY-JQWIXIFHSA-N 0 0 185.270 2.675 10 0 AFAERN Cc1[nH]c2cc(=O)ccc-2c(C)c1C 257810218 573398902 /nfs/dbraw/zinc/39/89/02/573398902.db2.gz AGEBEFFFAPPETE-UHFFFAOYSA-N 0 0 187.242 2.866 10 0 AFAERN CCC[C@H](C)CNOC(C)(C)C 133402108 573398911 /nfs/dbraw/zinc/39/89/11/573398911.db2.gz UTWFLKAQILHDHG-VIFPVBQESA-N 0 0 173.300 2.742 10 0 AFAERN CC[C@@H](C)C(=O)[C@@H]1Cc2ccccc21 86389002 573398950 /nfs/dbraw/zinc/39/89/50/573398950.db2.gz MHYWTTMZFAVGTF-BXKDBHETSA-N 0 0 188.270 2.942 10 0 AFAERN CC[C@H](C)[C@@H]1CCC(=O)[C@@H]1C 86394008 573399002 /nfs/dbraw/zinc/39/90/02/573399002.db2.gz OQAIHQPDFGNPNX-YIZRAAEISA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccccc1[C@@H](C)[C@@H](C)CO 238379932 573399062 /nfs/dbraw/zinc/39/90/62/573399062.db2.gz YOASLMZFOGZERG-QWRGUYRKSA-N 0 0 178.275 2.727 10 0 AFAERN c1ccc(N2C[C@H]3C[C@H]3C23CC3)cc1 257810273 573399084 /nfs/dbraw/zinc/39/90/84/573399084.db2.gz AJAMWUGBNIFFSY-ZYHUDNBSSA-N 0 0 185.270 2.675 10 0 AFAERN Cc1ncc(COC(C)C)n1C(C)C 258339831 573399100 /nfs/dbraw/zinc/39/91/00/573399100.db2.gz XQHMRVHIFBQXEC-UHFFFAOYSA-N 0 0 196.294 2.697 10 0 AFAERN CC[C@@H](C)[C@H](C)CC(C)=O 86393991 573399115 /nfs/dbraw/zinc/39/91/15/573399115.db2.gz NARSPNRVEKZWIN-HTQZYQBOSA-N 0 0 142.242 2.648 10 0 AFAERN CC(C)(C)ONCc1cccs1 133401302 573399144 /nfs/dbraw/zinc/39/91/44/573399144.db2.gz PSHFFPGUFXGQHN-UHFFFAOYSA-N 0 0 185.292 2.568 10 0 AFAERN CCCC[C@H](C)NOC(C)(C)C 133403918 573399215 /nfs/dbraw/zinc/39/92/15/573399215.db2.gz ISNOGCMMZROEEO-VIFPVBQESA-N 0 0 173.300 2.885 10 0 AFAERN CCCCC(=O)N[C@H](C)c1ccco1 74851314 573399284 /nfs/dbraw/zinc/39/92/84/573399284.db2.gz ZNBDHRBOTYXVDH-SECBINFHSA-N 0 0 195.262 2.647 10 0 AFAERN c1ccc2c(c1)NC[C@H]2CC1CC1 118453502 573399472 /nfs/dbraw/zinc/39/94/72/573399472.db2.gz MMACBKWIWSYVKS-SNVBAGLBSA-N 0 0 173.259 2.996 10 0 AFAERN CC[C@@H](C)C(=O)c1cc(C)ccn1 86388951 573399509 /nfs/dbraw/zinc/39/95/09/573399509.db2.gz MQIGHRVFCOVDSA-SECBINFHSA-N 0 0 177.247 2.619 10 0 AFAERN CC[C@@H](C)C1=C[C@@H](O)CCC1 86394280 573399598 /nfs/dbraw/zinc/39/95/98/573399598.db2.gz WVRLFFQNCNCURL-SCZZXKLOSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H](NOC(C)(C)C)C(C)C 133419980 573399668 /nfs/dbraw/zinc/39/96/68/573399668.db2.gz OEVZJGUNDSXYTP-VIFPVBQESA-N 0 0 173.300 2.741 10 0 AFAERN CC[C@@H](C)C(=O)[C@H]1Cc2ccccc21 86389005 573399709 /nfs/dbraw/zinc/39/97/09/573399709.db2.gz MHYWTTMZFAVGTF-SKDRFNHKSA-N 0 0 188.270 2.942 10 0 AFAERN CC[C@@H](NOC(C)(C)C)C(C)C 133420225 573399745 /nfs/dbraw/zinc/39/97/45/573399745.db2.gz OEVZJGUNDSXYTP-SECBINFHSA-N 0 0 173.300 2.741 10 0 AFAERN CC(C)[C@]12CC=CC[C@@H]1CCC2=O 211734990 573399778 /nfs/dbraw/zinc/39/97/78/573399778.db2.gz CRRBYLUADCAAPI-ZYHUDNBSSA-N 0 0 178.275 2.958 10 0 AFAERN CC[C@H](C)C(=O)[C@H]1Cc2ccccc21 86389007 573399806 /nfs/dbraw/zinc/39/98/06/573399806.db2.gz MHYWTTMZFAVGTF-CABZTGNLSA-N 0 0 188.270 2.942 10 0 AFAERN CC[C@H](C)[C@H]1CCC(=O)[C@@H]1C 86394011 573399897 /nfs/dbraw/zinc/39/98/97/573399897.db2.gz OQAIHQPDFGNPNX-DJLDLDEBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)C[C@H](C)NOC(C)(C)C 133417461 573399911 /nfs/dbraw/zinc/39/99/11/573399911.db2.gz ILRPHIKZDVOJNN-VIFPVBQESA-N 0 0 173.300 2.741 10 0 AFAERN Cc1cccc(C)c1[C@@]1(O)C[C@@H]1C 235589036 573399919 /nfs/dbraw/zinc/39/99/19/573399919.db2.gz DJCFIFJBELCKRZ-CMPLNLGQSA-N 0 0 176.259 2.531 10 0 AFAERN C[C@@H](c1occc1CO)[Si](C)(C)C 238387125 573399993 /nfs/dbraw/zinc/39/99/93/573399993.db2.gz BWNWDXGGSCBMPX-QMMMGPOBSA-N 0 0 198.338 2.753 10 0 AFAERN CC[C@H](C)C(C)(C)C[C@H](C)O 86394260 573400004 /nfs/dbraw/zinc/40/00/04/573400004.db2.gz REVIVTPBOQPCFG-IUCAKERBSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)[C@H](C)NOC(C)(C)C 133412907 573400095 /nfs/dbraw/zinc/40/00/95/573400095.db2.gz DTJAOMQEKJHYQU-IUCAKERBSA-N 0 0 173.300 2.741 10 0 AFAERN CC(C)CCNOCc1ccccc1 83099593 573400152 /nfs/dbraw/zinc/40/01/52/573400152.db2.gz JERNAJNUPSTXHF-UHFFFAOYSA-N 0 0 193.290 2.754 10 0 AFAERN CC[C@@H](C)C(=O)c1ncccc1C 86388892 573400171 /nfs/dbraw/zinc/40/01/71/573400171.db2.gz GYOAGOKVFGKDRZ-MRVPVSSYSA-N 0 0 177.247 2.619 10 0 AFAERN CC[C@H](C)c1cc(Cl)cnc1N 86393913 573400293 /nfs/dbraw/zinc/40/02/93/573400293.db2.gz WVUJZOVYUCMZRN-LURJTMIESA-N 0 0 184.670 2.831 10 0 AFAERN CC[C@H](C)NOCc1ccccc1 83099592 573400356 /nfs/dbraw/zinc/40/03/56/573400356.db2.gz SKFKWPIYZVPHEZ-JTQLQIEISA-N 0 0 179.263 2.506 10 0 AFAERN C[C@@H](F)C[C@@H](O)CCc1ccccc1 308575277 573406909 /nfs/dbraw/zinc/40/69/09/573406909.db2.gz HBLPEKFDIDDFJE-PWSUYJOCSA-N 0 0 196.265 2.728 10 0 AFAERN Cc1ccc([C@@H]2CCSC2)cc1N 257810560 573407013 /nfs/dbraw/zinc/40/70/13/573407013.db2.gz AMGBGHKIUYDXRZ-SNVBAGLBSA-N 0 0 193.315 2.798 10 0 AFAERN C/C(=C/CO)c1cnc2ccccc2c1 238468841 573406259 /nfs/dbraw/zinc/40/62/59/573406259.db2.gz DRRWMXDNMREXEU-POHAHGRESA-N 0 0 199.253 2.630 10 0 AFAERN OCC(F)(F)C1CCCCCC1 257810956 573406277 /nfs/dbraw/zinc/40/62/77/573406277.db2.gz ATKDYOFNRHVDPE-UHFFFAOYSA-N 0 0 178.222 2.584 10 0 AFAERN C[C@@H]1C(=O)CC=C1c1ccccc1 238389242 573406322 /nfs/dbraw/zinc/40/63/22/573406322.db2.gz WIZSHMTWUVVUFO-VIFPVBQESA-N 0 0 172.227 2.679 10 0 AFAERN Cc1ccc(C(=O)[C@@H](C)F)cc1 238380897 573406467 /nfs/dbraw/zinc/40/64/67/573406467.db2.gz KSYCKOAKHHRLMT-MRVPVSSYSA-N 0 0 166.195 2.536 10 0 AFAERN C[C@@H]1C(=O)CCCC12CCCC2 238389539 573406528 /nfs/dbraw/zinc/40/65/28/573406528.db2.gz PULAFZLQLRSVRK-SECBINFHSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)n1c(Cl)nc2ccncc21 107186186 573406561 /nfs/dbraw/zinc/40/65/61/573406561.db2.gz YICSGKBSABSDTB-UHFFFAOYSA-N 0 0 195.653 2.666 10 0 AFAERN Cc1ccc([C@H]2CCSC2)cc1N 257810559 573406617 /nfs/dbraw/zinc/40/66/17/573406617.db2.gz AMGBGHKIUYDXRZ-JTQLQIEISA-N 0 0 193.315 2.798 10 0 AFAERN CC(C)(F)Oc1ccc2c(c1)CCN2 258020351 573406714 /nfs/dbraw/zinc/40/67/14/573406714.db2.gz NKYMYVMUKUEZJE-UHFFFAOYSA-N 0 0 195.237 2.739 10 0 AFAERN Clc1cccc2c1NC[C@H]1C[C@@H]21 257810429 573406884 /nfs/dbraw/zinc/40/68/84/573406884.db2.gz AJQPBGNMITYETD-HTRCEHHLSA-N 0 0 179.650 2.869 10 0 AFAERN C/C=C1/C[C@@H]2C[C@H]1[C@@H]1CCCO[C@@H]21 118585313 573412407 /nfs/dbraw/zinc/41/24/07/573412407.db2.gz UBALJTRHSDXCPY-OGBDFWEMSA-N 0 0 178.275 2.768 10 0 AFAERN CCC1(CC(=O)[C@@H]2CCCO2)CCC1 308578810 573412454 /nfs/dbraw/zinc/41/24/54/573412454.db2.gz OAPQQZQFJCQDNA-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)[C@H](c1ccccc1)[C@@H](F)CO 308578577 573413116 /nfs/dbraw/zinc/41/31/16/573413116.db2.gz IQRDTNCRJMVKSA-NWDGAFQWSA-N 0 0 196.265 2.757 10 0 AFAERN CC(C)C(=O)[C@H]1Cc2ccccc21 83120361 573412526 /nfs/dbraw/zinc/41/25/26/573412526.db2.gz DOIJQDSPEKWSIO-NSHDSACASA-N 0 0 174.243 2.551 10 0 AFAERN CC(C)[C@@H](c1ccccc1)[C@@H](F)CO 308578579 573412621 /nfs/dbraw/zinc/41/26/21/573412621.db2.gz IQRDTNCRJMVKSA-RYUDHWBXSA-N 0 0 196.265 2.757 10 0 AFAERN C[C@@H]1CCC[C@H]([C@H](O)C2CCC2)C1 83120798 573412677 /nfs/dbraw/zinc/41/26/77/573412677.db2.gz IQOGTMWUAYGUSC-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H](O)CC[C@@H]1C=CCCC1 238380986 573412839 /nfs/dbraw/zinc/41/28/39/573412839.db2.gz JBCPGTFTOFHURE-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN O=C(c1ccco1)[C@H]1Cc2ccccc21 83120439 573412851 /nfs/dbraw/zinc/41/28/51/573412851.db2.gz AKNVWJISBXOQDP-NSHDSACASA-N 0 0 198.221 2.802 10 0 AFAERN CC[C@@H](C)C[C@H](O)C1CCC1 83120675 573412881 /nfs/dbraw/zinc/41/28/81/573412881.db2.gz KCOGUPPWDDCEKF-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cccc([C@@H](O)C2CCC2)c1 83120601 573412887 /nfs/dbraw/zinc/41/28/87/573412887.db2.gz DJVWJZZIEUJXOB-LBPRGKRZSA-N 0 0 176.259 2.829 10 0 AFAERN COc1cccc([C@@H](O)C2CCC2)c1 83120806 573412934 /nfs/dbraw/zinc/41/29/34/573412934.db2.gz ACIUSLDJXJIVKZ-LBPRGKRZSA-N 0 0 192.258 2.529 10 0 AFAERN CC(C)=CCN[C@@H](C)c1coc(C)n1 308577025 573413000 /nfs/dbraw/zinc/41/30/00/573413000.db2.gz NCYCWTLHSXJJGD-VIFPVBQESA-N 0 0 194.278 2.600 10 0 AFAERN COc1ccc(O)c2oc(C)c(C)c12 238381959 573413005 /nfs/dbraw/zinc/41/30/05/573413005.db2.gz SZRUMVNGQWBPNJ-UHFFFAOYSA-N 0 0 192.214 2.764 10 0 AFAERN CC[C@@H]1O[C@H](CCCO)C=C[C@H]1CC 308578649 573413022 /nfs/dbraw/zinc/41/30/22/573413022.db2.gz ITIZJJDSUHUHLF-UTUOFQBUSA-N 0 0 198.306 2.519 10 0 AFAERN CCNC(=O)[C@@H](CC(C)C)[C@@H](C)CC 33506907 573413068 /nfs/dbraw/zinc/41/30/68/573413068.db2.gz QVCDGEQFSCTPBS-QWRGUYRKSA-N 0 0 199.338 2.831 10 0 AFAERN CC1CCC([C@@H](O)C2CCC2)CC1 83120594 573413072 /nfs/dbraw/zinc/41/30/72/573413072.db2.gz XHXVZOWSFRZCGC-NHNAUAITSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)C(=O)CCC1CCC(O)CC1 308577042 573413092 /nfs/dbraw/zinc/41/30/92/573413092.db2.gz NDIDLWZYEXMASS-UHFFFAOYSA-N 0 0 198.306 2.543 10 0 AFAERN CCc1c(C)ccc(O)c1C 118634480 573413098 /nfs/dbraw/zinc/41/30/98/573413098.db2.gz JNJMMVLVPLHOKD-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN COc1ccc(O)c2c(C)c(C)oc12 238381709 573412385 /nfs/dbraw/zinc/41/23/85/573412385.db2.gz BVGMRLNIGYWCDL-UHFFFAOYSA-N 0 0 192.214 2.764 10 0 AFAERN Cc1cn(CCC[C@@H](C)O)c(C)c1C 308579160 573417139 /nfs/dbraw/zinc/41/71/39/573417139.db2.gz OEBVXPHCQDHVHK-SNVBAGLBSA-N 0 0 195.306 2.574 10 0 AFAERN Cc1nc(C2CCC2)sc1[C@@H](C)O 83123571 573417145 /nfs/dbraw/zinc/41/71/45/573417145.db2.gz CLGUTERWTDSLGW-SSDOTTSWSA-N 0 0 197.303 2.772 10 0 AFAERN CC[C@@H](C)N1CCOc2ccccc21 259443041 573416508 /nfs/dbraw/zinc/41/65/08/573416508.db2.gz VKLWUIIYLOAKHI-SNVBAGLBSA-N 0 0 191.274 2.684 10 0 AFAERN CCCCCc1oc(NC)nc1C 258646665 573416734 /nfs/dbraw/zinc/41/67/34/573416734.db2.gz DGIGHYVMKUGORS-UHFFFAOYSA-N 0 0 182.267 2.757 10 0 AFAERN CCCC[C@@](C)(C(=O)NCC)C(C)C 33506923 573416813 /nfs/dbraw/zinc/41/68/13/573416813.db2.gz NBESHLYYMHCQHT-GFCCVEGCSA-N 0 0 199.338 2.975 10 0 AFAERN C[C@@H]1[C@@H](C)C(=O)C[C@@H](C)[C@H]1C 118701698 573419187 /nfs/dbraw/zinc/41/91/87/573419187.db2.gz UVXHVKZBFNXAEC-LURQLKTLSA-N 0 0 154.253 2.504 10 0 AFAERN CSCc1ccc2c(c1)CCN2 258339168 573419227 /nfs/dbraw/zinc/41/92/27/573419227.db2.gz YTBJAEBXJKZAAN-UHFFFAOYSA-N 0 0 179.288 2.518 10 0 AFAERN COc1cc(C)nc(C(F)F)c1C 238383537 573419278 /nfs/dbraw/zinc/41/92/78/573419278.db2.gz WBTOHJPIYIHNOU-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN CONCc1ccccc1C1CCC1 258019148 573419300 /nfs/dbraw/zinc/41/93/00/573419300.db2.gz IASUGOHKJIRDIZ-UHFFFAOYSA-N 0 0 191.274 2.605 10 0 AFAERN CC(=O)[C@@H]1CSc2cccc(C)c21 258334590 573419305 /nfs/dbraw/zinc/41/93/05/573419305.db2.gz XKHSNDRUNGOVNT-VIFPVBQESA-N 0 0 192.283 2.773 10 0 AFAERN COc1ccnc(Cl)c1C(F)F 238384531 573419358 /nfs/dbraw/zinc/41/93/58/573419358.db2.gz GTDKOINEPGTQMQ-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN C[C@H](O)CC[C@@H](C)c1ccccc1 78071155 573419381 /nfs/dbraw/zinc/41/93/81/573419381.db2.gz MBKWTNPIVDKMOV-MNOVXSKESA-N 0 0 178.275 2.951 10 0 AFAERN CC/C=C(/C)C(=O)O[C@H](C)C1CC1 308381225 573419445 /nfs/dbraw/zinc/41/94/45/573419445.db2.gz UTXDWRYRRLKZEP-BZJXQOFCSA-N 0 0 182.263 2.684 10 0 AFAERN C[C@H](O)c1cccc2c1SCCC2 258019114 573419566 /nfs/dbraw/zinc/41/95/66/573419566.db2.gz HZWUUHBMLMRNSJ-QMMMGPOBSA-N 0 0 194.299 2.778 10 0 AFAERN C[C@@H]1C(=O)CCc2ccc(Cl)cc21 259444589 573419567 /nfs/dbraw/zinc/41/95/67/573419567.db2.gz UYDVJBAHCJKSNP-ZETCQYMHSA-N 0 0 194.661 2.959 10 0 AFAERN CS[C@@H](C)c1ccccc1O 238384514 573419582 /nfs/dbraw/zinc/41/95/82/573419582.db2.gz BGNLODPRUANUOG-ZETCQYMHSA-N 0 0 168.261 2.816 10 0 AFAERN CC[C@@H](C)C[C@@H](CC)[C@@H](C)O 50428101 573419726 /nfs/dbraw/zinc/41/97/26/573419726.db2.gz CUISXVJWGGCVBB-OPRDCNLKSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](C)CC[C@H](O)C(C)C 50428122 573419820 /nfs/dbraw/zinc/41/98/20/573419820.db2.gz MSDBCXHVDKLCCF-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN CC/C=C(\C)C(=O)O[C@@H](C)C1CC1 308381226 573419944 /nfs/dbraw/zinc/41/99/44/573419944.db2.gz UTXDWRYRRLKZEP-QRJSTWQJSA-N 0 0 182.263 2.684 10 0 AFAERN C[C@H](O)CC[C@H](C)c1ccccc1 78071154 573421095 /nfs/dbraw/zinc/42/10/95/573421095.db2.gz MBKWTNPIVDKMOV-QWRGUYRKSA-N 0 0 178.275 2.951 10 0 AFAERN Fc1ccc([C@@]23CC[C@@H](CO2)C3)cc1 258023969 573423671 /nfs/dbraw/zinc/42/36/71/573423671.db2.gz FYIFSNQKDBJEQL-SKDRFNHKSA-N 0 0 192.233 2.851 10 0 AFAERN C[C@@H](CO)c1c(F)ccc2occc12 258024632 573420349 /nfs/dbraw/zinc/42/03/49/573420349.db2.gz ILCSIUNCNDJLIY-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN CCCCCC(=O)O[C@]1(C)C[C@H]1C 308381168 573420360 /nfs/dbraw/zinc/42/03/60/573420360.db2.gz URCRCTHYFBNBLL-MWLCHTKSSA-N 0 0 184.279 2.908 10 0 AFAERN COc1ccc2oc(C)cc2c1C=O 238385183 573420370 /nfs/dbraw/zinc/42/03/70/573420370.db2.gz LTPWPUWFCHCQDA-UHFFFAOYSA-N 0 0 190.198 2.562 10 0 AFAERN CC(C)(O)c1ccc(CCCF)cc1 258019215 573420403 /nfs/dbraw/zinc/42/04/03/573420403.db2.gz ICXMMIOSXHKGGB-UHFFFAOYSA-N 0 0 196.265 2.816 10 0 AFAERN COc1cc2[nH]c(C)cc2cc1C 238399528 573420408 /nfs/dbraw/zinc/42/04/08/573420408.db2.gz WFGSFGSCCIEDBS-UHFFFAOYSA-N 0 0 175.231 2.793 10 0 AFAERN CC/C=C(/C)C(=O)O[C@@H](C)C1CC1 308381227 573420458 /nfs/dbraw/zinc/42/04/58/573420458.db2.gz UTXDWRYRRLKZEP-RDOCRHDPSA-N 0 0 182.263 2.684 10 0 AFAERN CC(=O)[C@H]1CSc2cccc(C)c21 258334588 573420479 /nfs/dbraw/zinc/42/04/79/573420479.db2.gz XKHSNDRUNGOVNT-SECBINFHSA-N 0 0 192.283 2.773 10 0 AFAERN C[C@@H](O)Cc1ccc(CCCF)cc1 258019173 573420680 /nfs/dbraw/zinc/42/06/80/573420680.db2.gz IBOUWAXVGMJQCM-SNVBAGLBSA-N 0 0 196.265 2.512 10 0 AFAERN C1=Nc2ccccc2/C1=C/N1CCCC1 117995433 573420726 /nfs/dbraw/zinc/42/07/26/573420726.db2.gz IZKUHVWSTVWWOJ-ZHACJKMWSA-N 0 0 198.269 2.839 10 0 AFAERN COc1cc(C(C)(C)O)cc(C)c1C 258024718 573420746 /nfs/dbraw/zinc/42/07/46/573420746.db2.gz INRDXJDBWFZORH-UHFFFAOYSA-N 0 0 194.274 2.539 10 0 AFAERN Cc1cc(C)cc([C@H](N)C(F)F)c1 83124662 573420783 /nfs/dbraw/zinc/42/07/83/573420783.db2.gz BGTLXAXYKYJLRN-VIFPVBQESA-N 0 0 185.217 2.568 10 0 AFAERN CSc1ccc([C@@H](C)O)c(C)c1 258024685 573420799 /nfs/dbraw/zinc/42/07/99/573420799.db2.gz IMQCNNBSTFMGJM-MRVPVSSYSA-N 0 0 182.288 2.770 10 0 AFAERN Nc1ccc(-c2ccccc2N)s1 258025219 573420805 /nfs/dbraw/zinc/42/08/05/573420805.db2.gz CFUUMDSLCHQUBB-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CC[C@H](C)C[C@@H](CC)[C@@H](C)O 50428104 573420819 /nfs/dbraw/zinc/42/08/19/573420819.db2.gz CUISXVJWGGCVBB-IVZWLZJFSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](C)COc1cc(F)ccc1N 50423237 573420835 /nfs/dbraw/zinc/42/08/35/573420835.db2.gz CQVJOBPURTZGIT-MRVPVSSYSA-N 0 0 197.253 2.833 10 0 AFAERN COCc1cccc(Cl)c1C(C)=O 258031614 573420858 /nfs/dbraw/zinc/42/08/58/573420858.db2.gz FGUJPJSIKNCPHS-UHFFFAOYSA-N 0 0 198.649 2.689 10 0 AFAERN Cc1oc([C@@H](C)N)nc1C1CCCC1 258025224 573420905 /nfs/dbraw/zinc/42/09/05/573420905.db2.gz IFYZZWWRUNYYGD-SSDOTTSWSA-N 0 0 194.278 2.660 10 0 AFAERN CC(C)[C@H](O)[C@@H](C)Cc1cccs1 689953020 573420917 /nfs/dbraw/zinc/42/09/17/573420917.db2.gz YJCLBFRUKNHLCQ-ONGXEEELSA-N 0 0 198.331 2.944 10 0 AFAERN CCCCCC(=O)O[C@@]1(C)C[C@H]1C 308381166 573420975 /nfs/dbraw/zinc/42/09/75/573420975.db2.gz URCRCTHYFBNBLL-KOLCDFICSA-N 0 0 184.279 2.908 10 0 AFAERN CC[C@H](C)COc1cc(F)ccc1N 50423239 573421053 /nfs/dbraw/zinc/42/10/53/573421053.db2.gz CQVJOBPURTZGIT-QMMMGPOBSA-N 0 0 197.253 2.833 10 0 AFAERN CSc1ccc(CCCO)c(C)c1 258024647 573423761 /nfs/dbraw/zinc/42/37/61/573423761.db2.gz ILJKIDVHWHBONF-UHFFFAOYSA-N 0 0 196.315 2.642 10 0 AFAERN CC(C)[C@H](O)[C@H](C)Cc1cccs1 689953010 573423774 /nfs/dbraw/zinc/42/37/74/573423774.db2.gz YJCLBFRUKNHLCQ-KOLCDFICSA-N 0 0 198.331 2.944 10 0 AFAERN CSCc1cc2cc(N)ccc2[nH]1 258024024 573423969 /nfs/dbraw/zinc/42/39/69/573423969.db2.gz MNGBRBXNNSQVQV-UHFFFAOYSA-N 0 0 192.287 2.613 10 0 AFAERN OC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 118766682 573424187 /nfs/dbraw/zinc/42/41/87/573424187.db2.gz HICGSFGDSIBLBR-OUAUKWLOSA-N 0 0 168.280 2.585 10 0 AFAERN Cc1cc(C)c(C[C@H](C)CO)cc1C 83139261 573424203 /nfs/dbraw/zinc/42/42/03/573424203.db2.gz NGGDSDNNNYJQFK-VIFPVBQESA-N 0 0 192.302 2.783 10 0 AFAERN OC[C@@H]1CC[C@H]2CCCC[C@@H]2C1 118766686 573424245 /nfs/dbraw/zinc/42/42/45/573424245.db2.gz HICGSFGDSIBLBR-GMTAPVOTSA-N 0 0 168.280 2.585 10 0 AFAERN CCSCc1ccc(O)c(F)c1 258025537 573424416 /nfs/dbraw/zinc/42/44/16/573424416.db2.gz CHLMKOBDKGNKHG-UHFFFAOYSA-N 0 0 186.251 2.784 10 0 AFAERN Cc1ccc(-c2cc[nH]c2N)cc1 258025831 573424466 /nfs/dbraw/zinc/42/44/66/573424466.db2.gz CHZQOGJPOHKWNQ-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN C[C@H]1C[C@@H](C)c2cc(O)ccc2N1 257811614 573424517 /nfs/dbraw/zinc/42/45/17/573424517.db2.gz BEGZKFQPIULHQY-SFYZADRCSA-N 0 0 177.247 2.700 10 0 AFAERN OC[C@H]1CC[C@@H]2CCCC[C@@H]2C1 118766684 573424524 /nfs/dbraw/zinc/42/45/24/573424524.db2.gz HICGSFGDSIBLBR-GARJFASQSA-N 0 0 168.280 2.585 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]2C=CCC[C@@]12C 238390750 573424541 /nfs/dbraw/zinc/42/45/41/573424541.db2.gz IUZNEXWJIVKQHA-YWVKMMECSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cc(C)cc([C@H](O)C(F)F)c1 83138039 573424605 /nfs/dbraw/zinc/42/46/05/573424605.db2.gz TWCAVRZANIMVSV-VIFPVBQESA-N 0 0 186.201 2.602 10 0 AFAERN C[C@@H]1C(=O)C[C@H]2C=CCC[C@]21C 238391070 573424913 /nfs/dbraw/zinc/42/49/13/573424913.db2.gz IUZNEXWJIVKQHA-KKZNHRDASA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cc(C)cc([C@@H](O)C(F)F)c1 83138042 573425027 /nfs/dbraw/zinc/42/50/27/573425027.db2.gz TWCAVRZANIMVSV-SECBINFHSA-N 0 0 186.201 2.602 10 0 AFAERN C[C@@H]1C[C@@H](C)c2cc(O)ccc2N1 257811612 573425062 /nfs/dbraw/zinc/42/50/62/573425062.db2.gz BEGZKFQPIULHQY-HTQZYQBOSA-N 0 0 177.247 2.700 10 0 AFAERN OC[C@H]1CC[C@H]2CCCC[C@@H]2C1 118766687 573425107 /nfs/dbraw/zinc/42/51/07/573425107.db2.gz HICGSFGDSIBLBR-HBNTYKKESA-N 0 0 168.280 2.585 10 0 AFAERN OCCCc1ccccc1C(F)F 258024627 573425124 /nfs/dbraw/zinc/42/51/24/573425124.db2.gz ILCGLTJPJNNXBY-UHFFFAOYSA-N 0 0 186.201 2.549 10 0 AFAERN CCc1oc(C=O)nc1C1CCCC1 257811600 573425140 /nfs/dbraw/zinc/42/51/40/573425140.db2.gz BHWWGDRGRNBJBL-UHFFFAOYSA-N 0 0 193.246 2.707 10 0 AFAERN CC[C@H](C)c1ccc2c(c1)CC(=O)N2 83138183 573425190 /nfs/dbraw/zinc/42/51/90/573425190.db2.gz IKAFQGLCPOQVKM-QMMMGPOBSA-N 0 0 189.258 2.695 10 0 AFAERN Cc1cc(C)c(C[C@@H](C)CO)cc1C 83139260 573425214 /nfs/dbraw/zinc/42/52/14/573425214.db2.gz NGGDSDNNNYJQFK-SECBINFHSA-N 0 0 192.302 2.783 10 0 AFAERN CC(C)C[C@@H](CO)C1CCCC1 129997009 573427177 /nfs/dbraw/zinc/42/71/77/573427177.db2.gz SYAMEIOTOPYNJY-NSHDSACASA-N 0 0 170.296 2.831 10 0 AFAERN O=C1CC[C@H]2CCC[C@@H](C1)C2 118816023 573427190 /nfs/dbraw/zinc/42/71/90/573427190.db2.gz DJESQWHUGRPJNK-RKDXNWHRSA-N 0 0 152.237 2.546 10 0 AFAERN CSc1cc(C)ccc1[C@@H](C)O 258027479 573427335 /nfs/dbraw/zinc/42/73/35/573427335.db2.gz IPPDUPRSZBEPBH-MRVPVSSYSA-N 0 0 182.288 2.770 10 0 AFAERN CC1=CCC[C@H](CCO)C1(C)C 144160596 573427403 /nfs/dbraw/zinc/42/74/03/573427403.db2.gz QLCZPNZPTVUCQG-SNVBAGLBSA-N 0 0 168.280 2.751 10 0 AFAERN COc1cc2c(cc1O)C[C@@H](C)CC2 238392777 573427516 /nfs/dbraw/zinc/42/75/16/573427516.db2.gz GYZBFUJVQDPTON-QMMMGPOBSA-N 0 0 192.258 2.526 10 0 AFAERN CCC(CC)(CO)C1CCCC1 129993087 573427534 /nfs/dbraw/zinc/42/75/34/573427534.db2.gz CHLZSVJGPZMPAK-UHFFFAOYSA-N 0 0 170.296 2.975 10 0 AFAERN CC1CCC(CO)(C(C)C)CC1 144165025 573427623 /nfs/dbraw/zinc/42/76/23/573427623.db2.gz YAJBNRMWRDRIOV-UHFFFAOYSA-N 0 0 170.296 2.831 10 0 AFAERN CC1=CC[C@@H](C[C@H](C)NC=O)C1(C)C 238393511 573427753 /nfs/dbraw/zinc/42/77/53/573427753.db2.gz SPYRBIFTKGSILP-QWRGUYRKSA-N 0 0 195.306 2.503 10 0 AFAERN CCc1cc(C)c(C)c(CNOC)c1 258030250 573430913 /nfs/dbraw/zinc/43/09/13/573430913.db2.gz IXPLXDHOWVAXOM-UHFFFAOYSA-N 0 0 193.290 2.517 10 0 AFAERN COC1(C(=O)CC2(C)CCC2)CCC1 308581684 573431003 /nfs/dbraw/zinc/43/10/03/573431003.db2.gz PNLWDDMPQGKJLD-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)c1cc(C(N)=O)oc1C(C)C 118824017 573431024 /nfs/dbraw/zinc/43/10/24/573431024.db2.gz RLBSNHHLBTUPEN-UHFFFAOYSA-N 0 0 195.262 2.625 10 0 AFAERN Cc1ccc2c(c1)cc([C@@H](C)O)n2C 258030556 573431093 /nfs/dbraw/zinc/43/10/93/573431093.db2.gz ZDBOJRONNCOWAV-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CCOCc1coc2cccc(N)c12 258649751 573431098 /nfs/dbraw/zinc/43/10/98/573431098.db2.gz LRRXWODTLLBYGH-UHFFFAOYSA-N 0 0 191.230 2.552 10 0 AFAERN CC1(C)CCC(=O)c2occc21 144177981 573431147 /nfs/dbraw/zinc/43/11/47/573431147.db2.gz WXULDMZLXIWFDK-UHFFFAOYSA-N 0 0 164.204 2.534 10 0 AFAERN Oc1ccc([C@@H]2C[C@@H]2C(F)F)cc1 257812436 573431224 /nfs/dbraw/zinc/43/12/24/573431224.db2.gz BQPWDROYTWLUMR-IUCAKERBSA-N 0 0 184.185 2.761 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)CCC2=O 257812285 573434176 /nfs/dbraw/zinc/43/41/76/573434176.db2.gz BQKVEHCQLQHGGQ-SECBINFHSA-N 0 0 189.258 2.772 10 0 AFAERN CC1=CC[C@H](C)C(C)(C)[C@H]1CO 118871497 573434180 /nfs/dbraw/zinc/43/41/80/573434180.db2.gz PKBSWHCLRBAHEE-UWVGGRQHSA-N 0 0 168.280 2.607 10 0 AFAERN CCCc1cc2cc(N)ccc2o1 144283421 573434220 /nfs/dbraw/zinc/43/42/20/573434220.db2.gz VOKGIIJTIINOON-UHFFFAOYSA-N 0 0 175.231 2.968 10 0 AFAERN CCc1ccc([C@H](C)O)cc1C 258031092 573434352 /nfs/dbraw/zinc/43/43/52/573434352.db2.gz PDDIBHSRHBJRED-VIFPVBQESA-N 0 0 164.248 2.611 10 0 AFAERN CC1=CC[C@@H](C)C(C)(C)[C@@H]1CO 118871491 573434429 /nfs/dbraw/zinc/43/44/29/573434429.db2.gz PKBSWHCLRBAHEE-NXEZZACHSA-N 0 0 168.280 2.607 10 0 AFAERN Cc1c([C@@H](C)O)n(C)c2ccccc12 238394364 573434481 /nfs/dbraw/zinc/43/44/81/573434481.db2.gz HNGXZSMAMUSWPA-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CSC1=N[C@H](C)c2ccccc2N1 144295182 573434605 /nfs/dbraw/zinc/43/46/05/573434605.db2.gz JVVMQMVEJCQORB-SSDOTTSWSA-N 0 0 192.287 2.701 10 0 AFAERN COCCCCC(=O)[C@@H]1CCC[C@@H]1C 308581518 573434635 /nfs/dbraw/zinc/43/46/35/573434635.db2.gz KAJPHQVJPUDVQM-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CCc1cc(C=O)cc(Cl)c1F 257812393 573434844 /nfs/dbraw/zinc/43/48/44/573434844.db2.gz BOQLXOZHSPQPNP-UHFFFAOYSA-N 0 0 186.613 2.854 10 0 AFAERN C[C@@H]1C(=O)[C@@H]2CC[C@@]1(C)C2(C)C 238393858 573434911 /nfs/dbraw/zinc/43/49/11/573434911.db2.gz PVJBDKPUGIYGTI-VHSKPIJISA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CCC2(CCCC2)C(=O)C1 238398802 573446809 /nfs/dbraw/zinc/44/68/09/573446809.db2.gz PUSVICHRSMDJRI-SECBINFHSA-N 0 0 166.264 2.936 10 0 AFAERN CCC(=C[C@H]1C[C@@H]1C(C)=O)CC 238220876 573446831 /nfs/dbraw/zinc/44/68/31/573446831.db2.gz VKJJDBDSILVZBO-WDEREUQCSA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)[C@@H]1C[C@]23CCC[C@]12CC3 224901984 573446863 /nfs/dbraw/zinc/44/68/63/573446863.db2.gz JUVCJRFERUBHHR-AXFHLTTASA-N 0 0 164.248 2.546 10 0 AFAERN Cc1coc([C@]2(O)CCC[C@@H](C)C2)c1 715808294 573446955 /nfs/dbraw/zinc/44/69/55/573446955.db2.gz TZJKNEFEIHPFPV-SKDRFNHKSA-N 0 0 194.274 2.986 10 0 AFAERN OCc1ncc(C2CCCCCC2)o1 258037692 573446211 /nfs/dbraw/zinc/44/62/11/573446211.db2.gz JANYADLAJANQGY-UHFFFAOYSA-N 0 0 195.262 2.605 10 0 AFAERN CS[C@]1(C(C)C)S[C@H]1C 238398256 573446275 /nfs/dbraw/zinc/44/62/75/573446275.db2.gz YURSPENUFMOQSW-NKWVEPMBSA-N 0 0 162.323 2.837 10 0 AFAERN CC1=C[C@@H](C)[C@]2(C)C(=O)CC[C@@H]2C1 238398228 573446280 /nfs/dbraw/zinc/44/62/80/573446280.db2.gz GNOBPDVYQYPELN-FOGDFJRCSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@H]1CCCc2sc([C@@H](C)[NH3+])nc21 238398839 573446307 /nfs/dbraw/zinc/44/63/07/573446307.db2.gz DYGVNIUPPRQLHM-NKWVEPMBSA-N 0 0 196.319 2.603 10 0 AFAERN C[C@@H]([NH3+])c1nc2c(s1)CCC[C@H]2C 238398862 573446338 /nfs/dbraw/zinc/44/63/38/573446338.db2.gz DYGVNIUPPRQLHM-RNFRBKRXSA-N 0 0 196.319 2.603 10 0 AFAERN CSc1cc(Cl)cc(C)c1N 238406023 573446365 /nfs/dbraw/zinc/44/63/65/573446365.db2.gz HCUHOKOUCGQRBL-UHFFFAOYSA-N 0 0 187.695 2.953 10 0 AFAERN C/C=C\C[C@@H](C(C)C)[C@@H](C)O 213012918 573446393 /nfs/dbraw/zinc/44/63/93/573446393.db2.gz INCYAYFTBSUPEX-LZCWPNQWSA-N 0 0 156.269 2.606 10 0 AFAERN C[C@@H]1c2c(Cl)cccc2CC[C@H]1O 259451895 573446452 /nfs/dbraw/zinc/44/64/52/573446452.db2.gz VMSRLIMNRCDBRD-OIBJUYFYSA-N 0 0 196.677 2.751 10 0 AFAERN CC(F)(F)c1ccc2c(c1)CCN2 107256042 573446687 /nfs/dbraw/zinc/44/66/87/573446687.db2.gz ZSVOVULUCYHEJN-UHFFFAOYSA-N 0 0 183.201 2.766 10 0 AFAERN CC[C@@H]1C(=O)CCCC1(C)C 142651507 573457167 /nfs/dbraw/zinc/45/71/67/573457167.db2.gz OIWGHVCTNSKHRX-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1C=CC[C@H]2CCCC(=O)[C@@]12C 238402381 573457281 /nfs/dbraw/zinc/45/72/81/573457281.db2.gz ZTBXVZYFSOIBKB-SCVCMEIPSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1CCC[C@@H](C)C12CCC2=O 142675948 573457349 /nfs/dbraw/zinc/45/73/49/573457349.db2.gz QNLJOJYCIDXOSW-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cccc(CC2CCC2)c1N 257817860 573457468 /nfs/dbraw/zinc/45/74/68/573457468.db2.gz DUHVNCWZGAYEHV-UHFFFAOYSA-N 0 0 175.275 2.920 10 0 AFAERN C[C@@H]1C=CC[C@@]2(C)CCC(=O)C[C@@H]12 238402061 573457484 /nfs/dbraw/zinc/45/74/84/573457484.db2.gz RKAGIQHFKWMXNO-USWWRNFRSA-N 0 0 178.275 2.958 10 0 AFAERN FC/C=C/c1ccccc1 107263253 573457524 /nfs/dbraw/zinc/45/75/24/573457524.db2.gz INZLZTHXPOJSCN-QPJJXVBHSA-N 0 0 136.169 2.669 10 0 AFAERN CC(C)Cc1onc2cc(N)ccc12 257817745 573457564 /nfs/dbraw/zinc/45/75/64/573457564.db2.gz DZBMKOIKZUWOSS-UHFFFAOYSA-N 0 0 190.246 2.609 10 0 AFAERN Nc1ccc2c(c1)[C@@H](F)CCC2 107267132 573457604 /nfs/dbraw/zinc/45/76/04/573457604.db2.gz QVUMMBAACWZTNP-JTQLQIEISA-N 0 0 165.211 2.616 10 0 AFAERN O=Cc1ccc2c(c1)CCC[C@@H]2F 107267270 573457785 /nfs/dbraw/zinc/45/77/85/573457785.db2.gz GZCBJEQSAMUTRK-NSHDSACASA-N 0 0 178.206 2.846 10 0 AFAERN C[C@@H]1CC[C@H]2CC=CC[C@@]2(C)C1=O 238409800 573468570 /nfs/dbraw/zinc/46/85/70/573468570.db2.gz WAOSXIFMPNUFEM-CKYFFXLPSA-N 0 0 178.275 2.958 10 0 AFAERN Nc1cccc([C@@H]2CCC[C@@H]2F)c1 107277563 573468577 /nfs/dbraw/zinc/46/85/77/573468577.db2.gz RHXOJSIDGKQNFJ-QWRGUYRKSA-N 0 0 179.238 2.874 10 0 AFAERN COc1cc(N)cc2cccc(F)c12 257816014 573467870 /nfs/dbraw/zinc/46/78/70/573467870.db2.gz DHENPSIGQYBCJQ-UHFFFAOYSA-N 0 0 191.205 2.570 10 0 AFAERN COc1c(F)ccc2cc(C)[nH]c12 238409185 573467880 /nfs/dbraw/zinc/46/78/80/573467880.db2.gz XSRRFAKFPDYHEY-UHFFFAOYSA-N 0 0 179.194 2.624 10 0 AFAERN COc1c(F)ccc2c(C)c[nH]c12 238408932 573467963 /nfs/dbraw/zinc/46/79/63/573467963.db2.gz SIHPJBXSDLSSJR-UHFFFAOYSA-N 0 0 179.194 2.624 10 0 AFAERN C[C@@]1(c2ccccc2)NCCC1(F)F 107275169 573467970 /nfs/dbraw/zinc/46/79/70/573467970.db2.gz XMZBDDVEZJJXFI-JTQLQIEISA-N 0 0 197.228 2.530 10 0 AFAERN Nc1ccccc1[C@@H](F)C1CC1 107277991 573468003 /nfs/dbraw/zinc/46/80/03/573468003.db2.gz PONFMZNJFCHAJV-JTQLQIEISA-N 0 0 165.211 2.689 10 0 AFAERN Oc1ccc(C(F)(F)C2CC2)cc1 107278511 573468059 /nfs/dbraw/zinc/46/80/59/573468059.db2.gz RBTXHHAIRGXQOB-UHFFFAOYSA-N 0 0 184.185 2.894 10 0 AFAERN C[C@@H]1CC[C@H]2C(=O)CC[C@@]23C[C@@]13C 238409518 573468072 /nfs/dbraw/zinc/46/80/72/573468072.db2.gz MQTMQMDMQVZWPD-LLHIFLOGSA-N 0 0 178.275 2.792 10 0 AFAERN CCCc1ccccc1[C@@H](C)CO 257815925 573468097 /nfs/dbraw/zinc/46/80/97/573468097.db2.gz BOVUJTZCSNBHEV-JTQLQIEISA-N 0 0 178.275 2.735 10 0 AFAERN Oc1ccc([C@H](F)C(F)(F)F)cc1 107278524 573468124 /nfs/dbraw/zinc/46/81/24/573468124.db2.gz RAXAZLUOXPYUGA-ZETCQYMHSA-N 0 0 194.127 2.965 10 0 AFAERN C[C@@H]1CC(=O)CC[C@H]1C1(C)CC1 238409044 573468214 /nfs/dbraw/zinc/46/82/14/573468214.db2.gz KNVVJXHHYDGMFC-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN Nc1ccccc1[C@H](F)C(F)(F)F 107278008 573468351 /nfs/dbraw/zinc/46/83/51/573468351.db2.gz ZIBFYJFUMMFRIR-ZETCQYMHSA-N 0 0 193.143 2.842 10 0 AFAERN CC[C@@H](C)[C@H]1NC(=O)c2ccccc21 224151310 573468371 /nfs/dbraw/zinc/46/83/71/573468371.db2.gz BNTXXLYJAWGEGO-LDYMZIIASA-N 0 0 189.258 2.517 10 0 AFAERN C[C@@H]1CC[C@H]2CC=C[C@@H](C)[C@@H]2C1=O 238409824 573468395 /nfs/dbraw/zinc/46/83/95/573468395.db2.gz ZDJBDBYRGVXIOH-DBIOUOCHSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)c1cccc(C(F)(F)CN)c1 257815909 573468400 /nfs/dbraw/zinc/46/84/00/573468400.db2.gz BNONLTCIQWRQLT-UHFFFAOYSA-N 0 0 199.244 2.861 10 0 AFAERN CC[C@H](C)[C@@H]1NC(=O)c2ccccc21 224151471 573468416 /nfs/dbraw/zinc/46/84/16/573468416.db2.gz BNTXXLYJAWGEGO-KWQFWETISA-N 0 0 189.258 2.517 10 0 AFAERN CC(C)Cc1ccc([C@H](F)CO)cc1 257815920 573468460 /nfs/dbraw/zinc/46/84/60/573468460.db2.gz BOIIPJFMKRWRKL-GFCCVEGCSA-N 0 0 196.265 2.888 10 0 AFAERN C[C@@H]1CC[C@H]2CCC(=O)C[C@@H]2C1 238409930 573468478 /nfs/dbraw/zinc/46/84/78/573468478.db2.gz BHCWFANUVIWAAY-UTLUCORTSA-N 0 0 166.264 2.792 10 0 AFAERN Oc1ccc2onc(C3CCC3)c2c1 257815992 573468618 /nfs/dbraw/zinc/46/86/18/573468618.db2.gz DFSBNHMIGSVFCS-UHFFFAOYSA-N 0 0 189.214 2.801 10 0 AFAERN CCCCC[C@](C)(O)c1cscn1 393523344 573468622 /nfs/dbraw/zinc/46/86/22/573468622.db2.gz RBMLCCWNEYPBEY-JTQLQIEISA-N 0 0 199.319 2.931 10 0 AFAERN Cc1ccccc1Oc1cnn(C)c1 258397252 573468717 /nfs/dbraw/zinc/46/87/17/573468717.db2.gz IEXAPIUUFMURGO-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN Nc1ccccc1[C@H](F)C1CC1 107277988 573468733 /nfs/dbraw/zinc/46/87/33/573468733.db2.gz PONFMZNJFCHAJV-SNVBAGLBSA-N 0 0 165.211 2.689 10 0 AFAERN CC(C)[C@H](C)c1onc(N)c1Cl 86517478 573468786 /nfs/dbraw/zinc/46/87/86/573468786.db2.gz QDOHKXSZGRNEOT-YFKPBYRVSA-N 0 0 188.658 2.670 10 0 AFAERN Nc1ccc([C@H]2CCC[C@H]2F)cc1 107277135 573468901 /nfs/dbraw/zinc/46/89/01/573468901.db2.gz OASGJQKKXSWAGE-GHMZBOCLSA-N 0 0 179.238 2.874 10 0 AFAERN CC(C)[C@@H](F)c1cccc(N)c1 107277524 573468956 /nfs/dbraw/zinc/46/89/56/573468956.db2.gz RPHCAXUDKWOXOF-SNVBAGLBSA-N 0 0 167.227 2.935 10 0 AFAERN CC(C)[C@@H](F)c1ccc(N)cc1 107277090 573468962 /nfs/dbraw/zinc/46/89/62/573468962.db2.gz MCSHIYIICRAKDK-SNVBAGLBSA-N 0 0 167.227 2.935 10 0 AFAERN COc1c(C)cc(Cl)c(C=O)c1C 257815676 573469016 /nfs/dbraw/zinc/46/90/16/573469016.db2.gz BRJNVTIFGPIUHX-UHFFFAOYSA-N 0 0 198.649 2.778 10 0 AFAERN COc1c(F)ccc2cc(Cl)[nH]c12 238409207 573469021 /nfs/dbraw/zinc/46/90/21/573469021.db2.gz QWFUBIYDTZBEEC-UHFFFAOYSA-N 0 0 199.612 2.969 10 0 AFAERN COc1c(F)ccc2occc12 238409581 573469027 /nfs/dbraw/zinc/46/90/27/573469027.db2.gz TYLDEJCBEAURQK-UHFFFAOYSA-N 0 0 166.151 2.581 10 0 AFAERN C[C@@H]1CC(=O)C[C@@H]2CCCC[C@H]21 238409723 573469083 /nfs/dbraw/zinc/46/90/83/573469083.db2.gz DLEIYDAPFFKVHP-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1ccnn1CC 308583843 573469111 /nfs/dbraw/zinc/46/91/11/573469111.db2.gz HQVVDYUIUBEKBJ-ZJUUUORDSA-N 0 0 195.310 2.750 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1ccnn1CC 308583840 573469118 /nfs/dbraw/zinc/46/91/18/573469118.db2.gz HQVVDYUIUBEKBJ-NXEZZACHSA-N 0 0 195.310 2.750 10 0 AFAERN C[C@@H]1CC(=O)C[C@@H](C)C1C1CC1 238409354 573469143 /nfs/dbraw/zinc/46/91/43/573469143.db2.gz PNSNIFYVFOWLHV-HTQZYQBOSA-N 0 0 166.264 2.648 10 0 AFAERN Oc1ccc([C@@H]2CCC[C@@H]2F)cc1 107278548 573469232 /nfs/dbraw/zinc/46/92/32/573469232.db2.gz LQCQEMUUVIDJAY-QWRGUYRKSA-N 0 0 180.222 2.998 10 0 AFAERN Oc1ccc([C@@H](F)C2CC2)cc1 107278508 573469281 /nfs/dbraw/zinc/46/92/81/573469281.db2.gz BGYOAWNYCNRQKC-JTQLQIEISA-N 0 0 166.195 2.813 10 0 AFAERN CC[C@@H](C)Cn1cccc1 54490554 573469351 /nfs/dbraw/zinc/46/93/51/573469351.db2.gz WRPDLXFMIRJRFM-SECBINFHSA-N 0 0 137.226 2.534 10 0 AFAERN C[C@@H]1CC(=O)CC[C@@H]1C1(C)CC1 238408856 573469384 /nfs/dbraw/zinc/46/93/84/573469384.db2.gz KNVVJXHHYDGMFC-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)=CC[C@H]1CC(=O)C[C@H]1C 238409596 573469397 /nfs/dbraw/zinc/46/93/97/573469397.db2.gz ZJABCNKEACLUKC-ZJUUUORDSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)[C@H](F)c1cccc(N)c1 107277521 573469448 /nfs/dbraw/zinc/46/94/48/573469448.db2.gz RPHCAXUDKWOXOF-JTQLQIEISA-N 0 0 167.227 2.935 10 0 AFAERN Nc1ccccc1[C@@H]1CCC[C@@H]1F 107278031 573469486 /nfs/dbraw/zinc/46/94/86/573469486.db2.gz YOJZJVMHLQTMGU-WPRPVWTQSA-N 0 0 179.238 2.874 10 0 AFAERN Nc1cccc([C@@H](F)C2CC2)c1 107277531 573469502 /nfs/dbraw/zinc/46/95/02/573469502.db2.gz YMGZWIUBOOIGQS-JTQLQIEISA-N 0 0 165.211 2.689 10 0 AFAERN C[C@@H](NO)c1ccc(Cl)cc1F 238409752 573469541 /nfs/dbraw/zinc/46/95/41/573469541.db2.gz AOMPYBCCCMNFSC-RXMQYKEDSA-N 0 0 189.617 2.519 10 0 AFAERN CCc1cnc(N)c2cccc(F)c12 258396786 573469579 /nfs/dbraw/zinc/46/95/79/573469579.db2.gz YXEIEDIIIFSFRQ-UHFFFAOYSA-N 0 0 190.221 2.519 10 0 AFAERN CSC(=O)c1cc(C)c(O)cc1C 238405570 573469607 /nfs/dbraw/zinc/46/96/07/573469607.db2.gz LPUSBSCMBYQQII-UHFFFAOYSA-N 0 0 196.271 2.512 10 0 AFAERN C[C@@H]1CC[C@H]2C(=O)CC[C@@]2(C)C1 238409490 573469643 /nfs/dbraw/zinc/46/96/43/573469643.db2.gz WRBVUBBIGGRNGP-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H](NO)c1cccc(Cl)c1F 238409948 573469698 /nfs/dbraw/zinc/46/96/98/573469698.db2.gz NTSZJCWWRQCHDW-RXMQYKEDSA-N 0 0 189.617 2.519 10 0 AFAERN CCCc1[nH+]cc2c(C)cccn12 258358720 573469715 /nfs/dbraw/zinc/46/97/15/573469715.db2.gz RVESPIBKOKMNSI-UHFFFAOYSA-N 0 0 174.247 2.595 10 0 AFAERN CSC(=S)c1ccc(O)cc1C 238408879 573469716 /nfs/dbraw/zinc/46/97/16/573469716.db2.gz AJYTZJVLMKMCCT-UHFFFAOYSA-N 0 0 198.312 2.739 10 0 AFAERN CCC[C@@H](C)c1onc(N)c1Cl 86517318 573469726 /nfs/dbraw/zinc/46/97/26/573469726.db2.gz HKRFCQRJZAYSJV-RXMQYKEDSA-N 0 0 188.658 2.814 10 0 AFAERN CCCC[C@@H](NN)C1(C)CCCC1 130108395 573469759 /nfs/dbraw/zinc/46/97/59/573469759.db2.gz DZDFVULICZJLBQ-SNVBAGLBSA-N 0 0 184.327 2.589 10 0 AFAERN CSC(=S)c1cccc(C)c1O 238408917 573469804 /nfs/dbraw/zinc/46/98/04/573469804.db2.gz WTRUMAONBGXFIT-UHFFFAOYSA-N 0 0 198.312 2.739 10 0 AFAERN C[C@@]1(CO)C=C2CCCCC2=CC1 224173566 573469846 /nfs/dbraw/zinc/46/98/46/573469846.db2.gz QWGPUKKNTAYBHP-LBPRGKRZSA-N 0 0 178.275 2.816 10 0 AFAERN CSC(=S)c1ccc(C)cc1O 238408840 573469866 /nfs/dbraw/zinc/46/98/66/573469866.db2.gz ZUHJELZAPHVUHH-UHFFFAOYSA-N 0 0 198.312 2.739 10 0 AFAERN CC(C)[C@@H](F)c1ccccc1N 107277984 573469970 /nfs/dbraw/zinc/46/99/70/573469970.db2.gz LCXSWUATUJCTJG-SNVBAGLBSA-N 0 0 167.227 2.935 10 0 AFAERN CCC(=O)[C@H]1C[C@@H]1CC(C)C 223092961 573470031 /nfs/dbraw/zinc/47/00/31/573470031.db2.gz FQQKBTVJDKSTTE-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)C[C@@H](C)C(=O)COC1CCC1 714945698 573470075 /nfs/dbraw/zinc/47/00/75/573470075.db2.gz WXVKIWQPQWIFHQ-SNVBAGLBSA-N 0 0 198.306 2.807 10 0 AFAERN CN(CC(C)(C)C)c1ccc(C=O)o1 50544355 573470136 /nfs/dbraw/zinc/47/01/36/573470136.db2.gz ZEEWGMKAXYOIIW-UHFFFAOYSA-N 0 0 195.262 2.574 10 0 AFAERN Nc1noc(C2CCCC2)c1Cl 86517469 573470140 /nfs/dbraw/zinc/47/01/40/573470140.db2.gz LOZGUEMYMSQCOR-UHFFFAOYSA-N 0 0 186.642 2.568 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)Cc2ccccc21 238409569 573470157 /nfs/dbraw/zinc/47/01/57/573470157.db2.gz MNZQTUUQGBPSHF-BDAKNGLRSA-N 0 0 174.243 2.551 10 0 AFAERN O=Cc1ccc(-c2ccc[nH]2)cc1F 236247032 573470160 /nfs/dbraw/zinc/47/01/60/573470160.db2.gz HDKUSOISESXQNI-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN Oc1ccc([C@H](F)C2CC2)cc1 107278505 573470163 /nfs/dbraw/zinc/47/01/63/573470163.db2.gz BGYOAWNYCNRQKC-SNVBAGLBSA-N 0 0 166.195 2.813 10 0 AFAERN Nc1ccccc1[C@H]1CCC[C@@H]1F 107278034 573470266 /nfs/dbraw/zinc/47/02/66/573470266.db2.gz YOJZJVMHLQTMGU-SCZZXKLOSA-N 0 0 179.238 2.874 10 0 AFAERN CCC[C@H](C)c1onc(N)c1Cl 86517319 573470314 /nfs/dbraw/zinc/47/03/14/573470314.db2.gz HKRFCQRJZAYSJV-YFKPBYRVSA-N 0 0 188.658 2.814 10 0 AFAERN CCCCNc1nc(CCC)co1 308391186 573470378 /nfs/dbraw/zinc/47/03/78/573470378.db2.gz ZQHZYCKNCZKDIC-UHFFFAOYSA-N 0 0 182.267 2.839 10 0 AFAERN CCC(C)(C)c1onc(N)c1Cl 86517400 573470403 /nfs/dbraw/zinc/47/04/03/573470403.db2.gz GABUCTXGFYTEBN-UHFFFAOYSA-N 0 0 188.658 2.598 10 0 AFAERN Oc1ccc([C@@H](F)C(F)(F)F)cc1 107278526 573470534 /nfs/dbraw/zinc/47/05/34/573470534.db2.gz RAXAZLUOXPYUGA-SSDOTTSWSA-N 0 0 194.127 2.965 10 0 AFAERN CC(C)C[C@H](C)C(=O)COC1CCC1 714945682 573470592 /nfs/dbraw/zinc/47/05/92/573470592.db2.gz WXVKIWQPQWIFHQ-JTQLQIEISA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)[C@H](F)c1ccccc1N 107277980 573470604 /nfs/dbraw/zinc/47/06/04/573470604.db2.gz LCXSWUATUJCTJG-JTQLQIEISA-N 0 0 167.227 2.935 10 0 AFAERN Nc1cccc([C@H]2CCC[C@@H]2F)c1 107277566 573470618 /nfs/dbraw/zinc/47/06/18/573470618.db2.gz RHXOJSIDGKQNFJ-MNOVXSKESA-N 0 0 179.238 2.874 10 0 AFAERN CC1=CC[C@H]2[C@H](CC(=O)C[C@H]2C)C1 238409668 573470648 /nfs/dbraw/zinc/47/06/48/573470648.db2.gz WYIIKNRSIQYHNY-JFGNBEQYSA-N 0 0 178.275 2.958 10 0 AFAERN Nc1cnoc1C1CCCCCC1 257820839 573470672 /nfs/dbraw/zinc/47/06/72/573470672.db2.gz FSDMDXUBQSGGAN-UHFFFAOYSA-N 0 0 180.251 2.695 10 0 AFAERN CCCCC[C@@](C)(O)c1cscn1 393523345 573470715 /nfs/dbraw/zinc/47/07/15/573470715.db2.gz RBMLCCWNEYPBEY-SNVBAGLBSA-N 0 0 199.319 2.931 10 0 AFAERN C[C@@H]1CC(=O)CC[C@@H]2CCC[C@@H]21 238408935 573470731 /nfs/dbraw/zinc/47/07/31/573470731.db2.gz OBFHFMSRKYCKST-WCABBAIRSA-N 0 0 166.264 2.792 10 0 AFAERN C/C=C\CCNc1nc(C(C)C)no1 308583272 573470817 /nfs/dbraw/zinc/47/08/17/573470817.db2.gz HKWOQGKKJJKGDH-PLNGDYQASA-N 0 0 195.266 2.571 10 0 AFAERN CC[C@H](C)[C@@H](C)Nc1ccnn1CC 308583842 573472929 /nfs/dbraw/zinc/47/29/29/573472929.db2.gz HQVVDYUIUBEKBJ-VHSXEESVSA-N 0 0 195.310 2.750 10 0 AFAERN Cc1ccc(NC(=O)S)c(C)c1 258666195 573472951 /nfs/dbraw/zinc/47/29/51/573472951.db2.gz HCWFSTVHCVXYEE-UHFFFAOYSA-N 0 0 181.260 2.765 10 0 AFAERN C/C=C/CCNc1nc(C(C)C)no1 308583274 573472998 /nfs/dbraw/zinc/47/29/98/573472998.db2.gz HKWOQGKKJJKGDH-SNAWJCMRSA-N 0 0 195.266 2.571 10 0 AFAERN CCCC[C@H](O)/C=C\[C@H]1CCC=CO1 308583102 573473016 /nfs/dbraw/zinc/47/30/16/573473016.db2.gz KVEQAJDUVYSNEV-RZRXIGATSA-N 0 0 196.290 2.786 10 0 AFAERN c1ccc2c(c1)C[C@H](c1ccoc1)N2 83389026 573473118 /nfs/dbraw/zinc/47/31/18/573473118.db2.gz GJQQLXGCFNTUNG-GFCCVEGCSA-N 0 0 185.226 2.989 10 0 AFAERN CC(C)CNc1cnccc1Cl 83340981 573473166 /nfs/dbraw/zinc/47/31/66/573473166.db2.gz ICZLYRXIDFDKJV-UHFFFAOYSA-N 0 0 184.670 2.803 10 0 AFAERN CC(=O)c1cccc([C@H]2CCCO2)c1 257820747 573473211 /nfs/dbraw/zinc/47/32/11/573473211.db2.gz FWXASTBDHGCNQI-GFCCVEGCSA-N 0 0 190.242 2.741 10 0 AFAERN Oc1ccccc1[C@H]1CCC[C@@H]1F 107279332 573473258 /nfs/dbraw/zinc/47/32/58/573473258.db2.gz GIFQZHBCWIADRQ-SCZZXKLOSA-N 0 0 180.222 2.998 10 0 AFAERN c1coc([C@@H]2Cc3ccccc3N2)c1 83388965 573473347 /nfs/dbraw/zinc/47/33/47/573473347.db2.gz VFCTYXQOWDBCJG-NSHDSACASA-N 0 0 185.226 2.989 10 0 AFAERN CCOC(=O)C[C@H](C(C)C)C1CC1 259465519 573473369 /nfs/dbraw/zinc/47/33/69/573473369.db2.gz APBZHQOLZPBWDE-SNVBAGLBSA-N 0 0 184.279 2.622 10 0 AFAERN Oc1cccc([C@H]2CCC[C@H]2F)c1 107278934 573473446 /nfs/dbraw/zinc/47/34/46/573473446.db2.gz AVYZIAIVSFRCBY-GHMZBOCLSA-N 0 0 180.222 2.998 10 0 AFAERN O=Cc1ccc([C@H](F)C2CC2)cc1 107281164 573473582 /nfs/dbraw/zinc/47/35/82/573473582.db2.gz BSLKNVNCSWKTGH-NSHDSACASA-N 0 0 178.206 2.920 10 0 AFAERN Oc1cccc([C@@H](F)C(F)(F)F)c1 107278909 573474304 /nfs/dbraw/zinc/47/43/04/573474304.db2.gz OLZWSQVFVBGVJI-SSDOTTSWSA-N 0 0 194.127 2.965 10 0 AFAERN CCCC[C@H](NN)c1cc(C)oc1C 130118405 573473601 /nfs/dbraw/zinc/47/36/01/573473601.db2.gz MMFYGSZUKQIJBY-NSHDSACASA-N 0 0 196.294 2.591 10 0 AFAERN Oc1cccc(C(F)(F)C2CC2)c1 107278895 573473613 /nfs/dbraw/zinc/47/36/13/573473613.db2.gz CUOUYPUYPQSGEA-UHFFFAOYSA-N 0 0 184.185 2.894 10 0 AFAERN CC(=O)Cc1coc2cccc(C)c12 258045577 573473652 /nfs/dbraw/zinc/47/36/52/573473652.db2.gz FKDRIWIQCFGEEV-UHFFFAOYSA-N 0 0 188.226 2.873 10 0 AFAERN O=Cc1ccc(F)cc1-c1ccc[nH]1 236252322 573473913 /nfs/dbraw/zinc/47/39/13/573473913.db2.gz NHRONNNZMZFMCC-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN CC(C)C(=O)CC[C@H]1CCC[C@@H](O)C1 308585483 573473930 /nfs/dbraw/zinc/47/39/30/573473930.db2.gz RQRNUKOMTLEGTG-GHMZBOCLSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)C(=O)CC[C@@H]1CCC[C@H](O)C1 308585486 573473987 /nfs/dbraw/zinc/47/39/87/573473987.db2.gz RQRNUKOMTLEGTG-QWRGUYRKSA-N 0 0 198.306 2.543 10 0 AFAERN Oc1cccc([C@H](F)C(F)(F)F)c1 107278907 573474099 /nfs/dbraw/zinc/47/40/99/573474099.db2.gz OLZWSQVFVBGVJI-ZETCQYMHSA-N 0 0 194.127 2.965 10 0 AFAERN C[C@H](/C=C/c1ccccc1)[C@@H](C)CO 308584984 573474146 /nfs/dbraw/zinc/47/41/46/573474146.db2.gz LRPPGMYBXSAKDV-DGTDAXKGSA-N 0 0 190.286 2.964 10 0 AFAERN CC(=O)[C@@H](Cc1ccoc1)C(C)C 130125512 573474254 /nfs/dbraw/zinc/47/42/54/573474254.db2.gz SYEOGVCYIJNGKF-NSHDSACASA-N 0 0 180.247 2.683 10 0 AFAERN C[C@@H]1CCC[C@@H]2C(=O)CC[C@@]21C 238412666 573474343 /nfs/dbraw/zinc/47/43/43/573474343.db2.gz JCPOKPLPALTMLG-FXPVBKGRSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CC(=O)Nc2c(Cl)cccc21 238412747 573474362 /nfs/dbraw/zinc/47/43/62/573474362.db2.gz YEPOHXCKLZUIKN-ZCFIWIBFSA-N 0 0 195.649 2.786 10 0 AFAERN CCOCC(=O)C1CCC(C)(C)CC1 86521924 573474535 /nfs/dbraw/zinc/47/45/35/573474535.db2.gz BRPREVQQZNJPJS-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN Oc1cccc([C@@H]2CCC[C@@H]2F)c1 107278925 573474657 /nfs/dbraw/zinc/47/46/57/573474657.db2.gz AVYZIAIVSFRCBY-QWRGUYRKSA-N 0 0 180.222 2.998 10 0 AFAERN Oc1ccccc1[C@@H]1CCC[C@H]1F 107279334 573474715 /nfs/dbraw/zinc/47/47/15/573474715.db2.gz GIFQZHBCWIADRQ-WCBMZHEXSA-N 0 0 180.222 2.998 10 0 AFAERN C[C@H]1CSc2c(F)cccc2N1 258402016 573474728 /nfs/dbraw/zinc/47/47/28/573474728.db2.gz CFXAPLVUDIIPCN-LURJTMIESA-N 0 0 183.251 2.732 10 0 AFAERN C[C@]1(CO)C=C2CCCCC2=CC1 224173614 573474729 /nfs/dbraw/zinc/47/47/29/573474729.db2.gz QWGPUKKNTAYBHP-GFCCVEGCSA-N 0 0 178.275 2.816 10 0 AFAERN Fc1ccc2c(c1)NCC1(CC1)S2 258402004 573474782 /nfs/dbraw/zinc/47/47/82/573474782.db2.gz CFPSKALHLTVECR-UHFFFAOYSA-N 0 0 195.262 2.876 10 0 AFAERN CC(C)C1(C(C)C)OCCS1 2018556 573474877 /nfs/dbraw/zinc/47/48/77/573474877.db2.gz OBNXFRXTSJYKSV-UHFFFAOYSA-N 0 0 174.309 2.758 10 0 AFAERN COc1cccc2c(C)c(C=O)oc12 82321123 573475012 /nfs/dbraw/zinc/47/50/12/573475012.db2.gz WNNRNHJTCLXTNK-UHFFFAOYSA-N 0 0 190.198 2.562 10 0 AFAERN Oc1cccc([C@@H]2CCC[C@H]2F)c1 107278932 573475140 /nfs/dbraw/zinc/47/51/40/573475140.db2.gz AVYZIAIVSFRCBY-WDEREUQCSA-N 0 0 180.222 2.998 10 0 AFAERN Oc1ccccc1[C@H](F)C1CC1 107279299 573475158 /nfs/dbraw/zinc/47/51/58/573475158.db2.gz IOBMVQKFTMHLTI-SNVBAGLBSA-N 0 0 166.195 2.813 10 0 AFAERN c1coc([C@H]2Cc3ccccc3N2)c1 83388964 573475173 /nfs/dbraw/zinc/47/51/73/573475173.db2.gz VFCTYXQOWDBCJG-LLVKDONJSA-N 0 0 185.226 2.989 10 0 AFAERN CC(C)C(=O)CC[C@H]1CCC[C@H](O)C1 308585484 573475189 /nfs/dbraw/zinc/47/51/89/573475189.db2.gz RQRNUKOMTLEGTG-MNOVXSKESA-N 0 0 198.306 2.543 10 0 AFAERN C[C@@H]1CSc2c(F)cccc2N1 258402018 573475356 /nfs/dbraw/zinc/47/53/56/573475356.db2.gz CFXAPLVUDIIPCN-ZCFIWIBFSA-N 0 0 183.251 2.732 10 0 AFAERN CC(C)CC(=O)CCc1ccoc1 130126149 573475417 /nfs/dbraw/zinc/47/54/17/573475417.db2.gz BZBXEODWQLVDLN-UHFFFAOYSA-N 0 0 180.247 2.827 10 0 AFAERN C[C@H](O)C(F)(F)CC1CCCC1 257818471 573475576 /nfs/dbraw/zinc/47/55/76/573475576.db2.gz DZNPVPHTRNIXCF-ZETCQYMHSA-N 0 0 178.222 2.583 10 0 AFAERN CC(=O)c1cccc([C@@H](C)F)c1 107281018 573475640 /nfs/dbraw/zinc/47/56/40/573475640.db2.gz OJKCPWHYVUKLRB-SSDOTTSWSA-N 0 0 166.195 2.920 10 0 AFAERN Oc1ccccc1[C@H]1CCC[C@H]1F 107279337 573475646 /nfs/dbraw/zinc/47/56/46/573475646.db2.gz GIFQZHBCWIADRQ-PSASIEDQSA-N 0 0 180.222 2.998 10 0 AFAERN CCCC[C@@H](NN)c1cc(C)oc1C 130118612 573475658 /nfs/dbraw/zinc/47/56/58/573475658.db2.gz MMFYGSZUKQIJBY-LLVKDONJSA-N 0 0 196.294 2.591 10 0 AFAERN CC1(C)CC[C@H](CCF)[C@@H](O)C1 717451965 573475716 /nfs/dbraw/zinc/47/57/16/573475716.db2.gz AAFSWFCLEDJRDA-BDAKNGLRSA-N 0 0 174.259 2.533 10 0 AFAERN C[C@@H](F)c1cccc(C=O)c1 107281277 573475740 /nfs/dbraw/zinc/47/57/40/573475740.db2.gz NMTGNQRSBGFCGD-SSDOTTSWSA-N 0 0 152.168 2.530 10 0 AFAERN C[C@@H]1CCC[C@@H]1[C@@H]1CCCC1=O 238412330 573475760 /nfs/dbraw/zinc/47/57/60/573475760.db2.gz XPJLJUMJOKBMAM-UTLUCORTSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)c1cccc([C@H](C)F)c1 107281017 573475081 /nfs/dbraw/zinc/47/50/81/573475081.db2.gz OJKCPWHYVUKLRB-ZETCQYMHSA-N 0 0 166.195 2.920 10 0 AFAERN CC1=C[C@H]2C(=O)C[C@@H](C)[C@@H]2CC1 238414446 573479298 /nfs/dbraw/zinc/47/92/98/573479298.db2.gz DVUSAICUGFKHDX-KXUCPTDWSA-N 0 0 164.248 2.568 10 0 AFAERN N[C@@H](CCC1CCCC1)C(F)(F)F 238669722 573479305 /nfs/dbraw/zinc/47/93/05/573479305.db2.gz CDVRJJWDWFQOLM-QMMMGPOBSA-N 0 0 195.228 2.846 10 0 AFAERN C[C@@H]1CCC[C@]1(O)CCC(F)(F)F 83395871 573479339 /nfs/dbraw/zinc/47/93/39/573479339.db2.gz ABWQIJODVYQLEL-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN CC(C)[C@H](O)CC[C@@H]1CCCS1 715827143 573479399 /nfs/dbraw/zinc/47/93/99/573479399.db2.gz USVLNEDHNBSTCC-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)OCC1=C[C@@H](O)CC(C)(C)C1 86529488 573479417 /nfs/dbraw/zinc/47/94/17/573479417.db2.gz JIKLQWIJVDYGQM-LLVKDONJSA-N 0 0 198.306 2.519 10 0 AFAERN C[C@H]1CCC[C@@H]1Nc1cccnc1 83389559 573479435 /nfs/dbraw/zinc/47/94/35/573479435.db2.gz JXADOUHXGKYZEL-ONGXEEELSA-N 0 0 176.263 2.682 10 0 AFAERN CC(C)CNc1n[nH]c2c1CC[C@@H]2C 83390107 573479443 /nfs/dbraw/zinc/47/94/43/573479443.db2.gz ZIPRIHMMGQBXAL-QMMMGPOBSA-N 0 0 193.294 2.527 10 0 AFAERN C[C@@H]1CC[C@]23CC[C@@H]2C(=O)CC[C@@H]13 238414539 573479479 /nfs/dbraw/zinc/47/94/79/573479479.db2.gz YUNVZAHGBXUYIC-DTHBNOIPSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)[C@@H](O)CC[C@@H]1CCCS1 715827140 573479541 /nfs/dbraw/zinc/47/95/41/573479541.db2.gz USVLNEDHNBSTCC-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)CNc1n[nH]c2c1CC[C@H]2C 83390106 573479674 /nfs/dbraw/zinc/47/96/74/573479674.db2.gz ZIPRIHMMGQBXAL-MRVPVSSYSA-N 0 0 193.294 2.527 10 0 AFAERN COc1cc([C@@H](C)O)c(C)c(C)c1C 238413401 573479730 /nfs/dbraw/zinc/47/97/30/573479730.db2.gz XDLNLVWPBPALCS-SNVBAGLBSA-N 0 0 194.274 2.674 10 0 AFAERN NN[C@@H](C1=CCCCCCC1)C1CC1 236260613 573479738 /nfs/dbraw/zinc/47/97/38/573479738.db2.gz COXWTYWPVKWPDX-LBPRGKRZSA-N 0 0 194.322 2.509 10 0 AFAERN Cc1cccc(C(=O)CCCCF)n1 308595677 573479857 /nfs/dbraw/zinc/47/98/57/573479857.db2.gz MIHXDIFEJBLFAF-UHFFFAOYSA-N 0 0 195.237 2.713 10 0 AFAERN Cc1n[nH]c(C)c1N[C@H]1CCC[C@@H]1C 83390287 573479903 /nfs/dbraw/zinc/47/99/03/573479903.db2.gz QESRRAVQJIOGHR-XVKPBYJWSA-N 0 0 193.294 2.627 10 0 AFAERN CCc1noc2cc(C(C)=O)ccc12 257819455 573485305 /nfs/dbraw/zinc/48/53/05/573485305.db2.gz FKVLTIQRTUTART-UHFFFAOYSA-N 0 0 189.214 2.593 10 0 AFAERN Clc1cnc(-c2ccncc2)s1 258497542 573485345 /nfs/dbraw/zinc/48/53/45/573485345.db2.gz JTJGNGDRABPDRT-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN CC(C)OCc1cc(Cl)ccc1N 86549482 573485363 /nfs/dbraw/zinc/48/53/63/573485363.db2.gz FTYWGJUWJXSRCL-UHFFFAOYSA-N 0 0 199.681 2.847 10 0 AFAERN CCOC(=O)[C@@H]1CCCCC12CC2 259471043 573485504 /nfs/dbraw/zinc/48/55/04/573485504.db2.gz BLTUKCZDMJDJAI-VIFPVBQESA-N 0 0 182.263 2.520 10 0 AFAERN Oc1ccc2[nH]nc(C3CCC3)c2c1 257819000 573485577 /nfs/dbraw/zinc/48/55/77/573485577.db2.gz FHXHJMSQOOCLSC-UHFFFAOYSA-N 0 0 188.230 2.536 10 0 AFAERN CSC1(c2ccccc2O)CC1 238415463 573485657 /nfs/dbraw/zinc/48/56/57/573485657.db2.gz WNCGPIWGXBSPKO-UHFFFAOYSA-N 0 0 180.272 2.744 10 0 AFAERN C[C@@H]1CC(=O)[C@@H]2CC[C@@H]3CC[C@@H]1[C@@H]32 238414969 573485682 /nfs/dbraw/zinc/48/56/82/573485682.db2.gz ZLYKIIVRCBWEOZ-UWKFXHKCSA-N 0 0 178.275 2.648 10 0 AFAERN CC(C)c1ccc(SCO)cc1 259106439 573485731 /nfs/dbraw/zinc/48/57/31/573485731.db2.gz AGWUXYPFPSMGTJ-UHFFFAOYSA-N 0 0 182.288 2.852 10 0 AFAERN CCOC(=O)C[C@H](CC)C1CCC1 259469785 573485798 /nfs/dbraw/zinc/48/57/98/573485798.db2.gz BELCJTQENAINOC-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN CCCCCC(=O)C(C)(C)[C@H](C)O 238247572 573485809 /nfs/dbraw/zinc/48/58/09/573485809.db2.gz AFNFZYKRWOUOSD-VIFPVBQESA-N 0 0 186.295 2.543 10 0 AFAERN Cc1ccc(C)n1C(=O)OC(C)(C)C 4235249 573486124 /nfs/dbraw/zinc/48/61/24/573486124.db2.gz GWXRCRIYSPTHPL-UHFFFAOYSA-N 0 0 195.262 2.888 10 0 AFAERN O[C@H]1CCCC/C1=C\c1ccoc1 223110378 573486474 /nfs/dbraw/zinc/48/64/74/573486474.db2.gz ISXIBVFLMIVGGU-HUYFXPKMSA-N 0 0 178.231 2.598 10 0 AFAERN CCOc1ccc(COC)cc1C 259470873 573486475 /nfs/dbraw/zinc/48/64/75/573486475.db2.gz RTINTNONANZTNA-UHFFFAOYSA-N 0 0 180.247 2.540 10 0 AFAERN CO[C@@H](C)c1ccccc1C(C)=O 223665592 573486508 /nfs/dbraw/zinc/48/65/08/573486508.db2.gz LUEOMMYOGSKWKJ-VIFPVBQESA-N 0 0 178.231 2.597 10 0 AFAERN CSc1ccc(F)c(NC(C)=O)c1 238416404 573486571 /nfs/dbraw/zinc/48/65/71/573486571.db2.gz HFIHNUSHRZGKLW-UHFFFAOYSA-N 0 0 199.250 2.506 10 0 AFAERN COc1cnc(Cl)c(C(F)F)c1 238406559 573486587 /nfs/dbraw/zinc/48/65/87/573486587.db2.gz MFTZPEWKCZKCST-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN Cc1ccc2sc(CON)cc2c1 258038584 573490915 /nfs/dbraw/zinc/49/09/15/573490915.db2.gz FACNYAALYMNJGN-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN C[C@H]1Cc2cc(O)ccc2C[C@H]1C 238406652 573491109 /nfs/dbraw/zinc/49/11/09/573491109.db2.gz CDJAALIWHXXEHP-BDAKNGLRSA-N 0 0 176.259 2.763 10 0 AFAERN Cc1cc(C[C@H](C)[C@@H](C)O)c(C)s1 238406804 573491470 /nfs/dbraw/zinc/49/14/70/573491470.db2.gz JKGYVYPAUPUNRL-IONNQARKSA-N 0 0 198.331 2.924 10 0 AFAERN CCCCNC(=O)/C=C(/C)CCC 308393891 573493929 /nfs/dbraw/zinc/49/39/29/573493929.db2.gz CGEGBUBGGRVSRI-KTKRTIGZSA-N 0 0 183.295 2.649 10 0 AFAERN C[C@H]1CCC[C@H](Nc2cn[nH]c2)CC1 83427343 573493970 /nfs/dbraw/zinc/49/39/70/573493970.db2.gz DHODSHVAWRRHCV-UWVGGRQHSA-N 0 0 193.294 2.790 10 0 AFAERN CSc1cc(O)ccc1OC(C)C 238408552 573494002 /nfs/dbraw/zinc/49/40/02/573494002.db2.gz QNTISROMDWEYHH-UHFFFAOYSA-N 0 0 198.287 2.901 10 0 AFAERN Cc1oc2ccccc2c1CCCO 259475162 573494070 /nfs/dbraw/zinc/49/40/70/573494070.db2.gz MFXNRRMLMBZJOO-UHFFFAOYSA-N 0 0 190.242 2.666 10 0 AFAERN CSC(=S)OC/C(C)=C/Cl 238408063 573494105 /nfs/dbraw/zinc/49/41/05/573494105.db2.gz FVXOAFFSYOLQLV-HWKANZROSA-N 0 0 196.724 2.794 10 0 AFAERN C[C@@H](C[C@@H]1CCC[C@@H](C)CC1)NC=O 238408610 573494259 /nfs/dbraw/zinc/49/42/59/573494259.db2.gz MQNHHHGMAZBFHN-GRYCIOLGSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@@H](CC1CCCCCCC1)NC=O 238408321 573494316 /nfs/dbraw/zinc/49/43/16/573494316.db2.gz QBMGFEIYBOKXIX-NSHDSACASA-N 0 0 197.322 2.872 10 0 AFAERN C[C@@H](CO)c1ccc(C(C)(C)F)cc1 258042515 573494339 /nfs/dbraw/zinc/49/43/39/573494339.db2.gz JYRYZVXPZRBQCW-VIFPVBQESA-N 0 0 196.265 2.987 10 0 AFAERN CNc1nc(-c2ccc(F)cc2)co1 258687113 573494346 /nfs/dbraw/zinc/49/43/46/573494346.db2.gz WTIXZLZFRWLRAX-UHFFFAOYSA-N 0 0 192.193 2.522 10 0 AFAERN C[C@H]1CNc2ccc(C(F)F)cc2O1 258044302 573494450 /nfs/dbraw/zinc/49/44/50/573494450.db2.gz QISQRTZDVTYBNO-LURJTMIESA-N 0 0 199.200 2.817 10 0 AFAERN Cc1cc(COC(C)C)ccc1O 258040690 573494463 /nfs/dbraw/zinc/49/44/63/573494463.db2.gz DKBVINXFVQMXHD-UHFFFAOYSA-N 0 0 180.247 2.626 10 0 AFAERN OC1(c2ccc(C3CCC3)cc2)CC1 258042484 573494489 /nfs/dbraw/zinc/49/44/89/573494489.db2.gz JXRYEFWLMPFMSM-UHFFFAOYSA-N 0 0 188.270 2.936 10 0 AFAERN CO[C@H](C)C(=O)C1C[C@@H](C)C[C@H](C)C1 86574717 573494664 /nfs/dbraw/zinc/49/46/64/573494664.db2.gz HPTYZWIFRMTSLJ-LPEHRKFASA-N 0 0 198.306 2.663 10 0 AFAERN COC(=O)c1cc2sc(C)cc2o1 259475473 573500447 /nfs/dbraw/zinc/50/04/47/573500447.db2.gz NERQIERYAJSMJA-UHFFFAOYSA-N 0 0 196.227 2.589 10 0 AFAERN CCSCCC[C@H]1CCC[C@@H]1O 130256073 573499720 /nfs/dbraw/zinc/49/97/20/573499720.db2.gz BSUQDGDEMSIJIQ-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)[C@]1(O)CCC[C@H](C)CC1 83434404 573499744 /nfs/dbraw/zinc/49/97/44/573499744.db2.gz UHAQRSAKLHYOHR-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CSCCC[C@H](O)c1ccccc1 130258028 573499779 /nfs/dbraw/zinc/49/97/79/573499779.db2.gz GHLDKTDXPDTIGL-NSHDSACASA-N 0 0 196.315 2.863 10 0 AFAERN C[C@@H](F)Oc1cccc2c1NCCC2 258046955 573499815 /nfs/dbraw/zinc/49/98/15/573499815.db2.gz OSBSIFUXCRFZLV-QMMMGPOBSA-N 0 0 195.237 2.739 10 0 AFAERN C[C@H]1CCC[C@@H](n2nccc2N)CC1 83428165 573499835 /nfs/dbraw/zinc/49/98/35/573499835.db2.gz ASDBRIJBTVZANK-VHSXEESVSA-N 0 0 193.294 2.607 10 0 AFAERN CC(=O)N[C@@H]1[C@H](C)CC(C)(C)C1(C)C 238418668 573499838 /nfs/dbraw/zinc/49/98/38/573499838.db2.gz QOUZVWZEHLRFTC-PSASIEDQSA-N 0 0 197.322 2.583 10 0 AFAERN CSCCC[C@@H](O)C(C)(C)C 130263985 573499867 /nfs/dbraw/zinc/49/98/67/573499867.db2.gz OXMATGFCEITUJN-MRVPVSSYSA-N 0 0 176.325 2.537 10 0 AFAERN CCCC[C@H](C)C[C@H](C)O 78498855 573499874 /nfs/dbraw/zinc/49/98/74/573499874.db2.gz JWXYETYLPMTEJA-IUCAKERBSA-N 0 0 144.258 2.584 10 0 AFAERN C[C@@H]1CCC[C@]2(CC1)CC(=O)CCO2 83434801 573499975 /nfs/dbraw/zinc/49/99/75/573499975.db2.gz WVWANPZPWRJZHE-PWSUYJOCSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)(F)Oc1ccc2c(c1)NCC2 258044599 573499999 /nfs/dbraw/zinc/49/99/99/573499999.db2.gz OOZINURHPRJMIC-UHFFFAOYSA-N 0 0 195.237 2.739 10 0 AFAERN C[C@@H]1CCc2cccc(O)c2S1 238417617 573500015 /nfs/dbraw/zinc/50/00/15/573500015.db2.gz IAZMNZRDMZECRC-SSDOTTSWSA-N 0 0 180.272 2.819 10 0 AFAERN C[C@H](O)C[C@@H](C)OC1=CCCC[C@H]1C 308609384 573500053 /nfs/dbraw/zinc/50/00/53/573500053.db2.gz XQKPWKTVXXRUID-OUAUKWLOSA-N 0 0 198.306 2.866 10 0 AFAERN CCC(=CC(=O)N(CC)CC)CC 308398861 573500059 /nfs/dbraw/zinc/50/00/59/573500059.db2.gz GCNUUNNZQCWSCA-UHFFFAOYSA-N 0 0 183.295 2.601 10 0 AFAERN CC[C@@]1(O)CCC[C@@H](C)CC1 83434508 573500068 /nfs/dbraw/zinc/50/00/68/573500068.db2.gz ODYFFDWSGIMFDL-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN Oc1ccccc1-c1cnc(Cl)o1 258700807 573500108 /nfs/dbraw/zinc/50/01/08/573500108.db2.gz ZRLBRKVNPKQNSL-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN C/C=C\CNc1cc(C)ccc1OC 308399392 573500133 /nfs/dbraw/zinc/50/01/33/573500133.db2.gz DGNBFVKDTYJRGH-PLNGDYQASA-N 0 0 191.274 2.992 10 0 AFAERN CCSCCCC[C@@H](O)C(C)C 130267954 573500175 /nfs/dbraw/zinc/50/01/75/573500175.db2.gz BFVZZMIJIQIBCQ-SNVBAGLBSA-N 0 0 190.352 2.927 10 0 AFAERN Clc1cnc(Cc2ccccc2)o1 258703633 573500253 /nfs/dbraw/zinc/50/02/53/573500253.db2.gz ZYBVZXQURXGNKN-UHFFFAOYSA-N 0 0 193.633 2.919 10 0 AFAERN COc1cc(Cl)cc(C(F)F)n1 238417597 573500273 /nfs/dbraw/zinc/50/02/73/573500273.db2.gz LKZZWYDPWUCWNK-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN CC(C)=CC(=C(C)C)[C@H](C)O 238418369 573500278 /nfs/dbraw/zinc/50/02/78/573500278.db2.gz AAXIUKOEBQURQR-VIFPVBQESA-N 0 0 154.253 2.670 10 0 AFAERN COc1ccc(-c2cnco2)cc1C 258696515 573500281 /nfs/dbraw/zinc/50/02/81/573500281.db2.gz XKSACGBVLCSDNO-UHFFFAOYSA-N 0 0 189.214 2.659 10 0 AFAERN C[C@H](F)Oc1cccc2c1NCCC2 258046952 573500304 /nfs/dbraw/zinc/50/03/04/573500304.db2.gz OSBSIFUXCRFZLV-MRVPVSSYSA-N 0 0 195.237 2.739 10 0 AFAERN CSCCC[C@H](O)C(C)(C)C 130264172 573500352 /nfs/dbraw/zinc/50/03/52/573500352.db2.gz OXMATGFCEITUJN-QMMMGPOBSA-N 0 0 176.325 2.537 10 0 AFAERN CCC(CC)C(=O)OCC[C@H](C)F 308398581 573500428 /nfs/dbraw/zinc/50/04/28/573500428.db2.gz FYLMOUQFKDSEQR-QMMMGPOBSA-N 0 0 190.258 2.714 10 0 AFAERN CCSCCCC[C@@H](O)CC 130266076 573500439 /nfs/dbraw/zinc/50/04/39/573500439.db2.gz RVXAVIDZEFFOAY-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN CC1=CC(C)(C)C[C@@H](C)[C@@H]1CO 238418788 573500515 /nfs/dbraw/zinc/50/05/15/573500515.db2.gz VWDFBZCSDANOMO-NXEZZACHSA-N 0 0 168.280 2.607 10 0 AFAERN CCC[C@@H](O)CCCCSC 130263349 573500704 /nfs/dbraw/zinc/50/07/04/573500704.db2.gz MPXKMORUZBDXEL-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN CC(=O)N(C)c1ccc(C)c(C)c1C 258701655 573500751 /nfs/dbraw/zinc/50/07/51/573500751.db2.gz GLFTYWHSKBWVGK-UHFFFAOYSA-N 0 0 191.274 2.595 10 0 AFAERN C[C@@]12CC(=O)[C@H]1CC1=C2CCCC1 238418339 573500752 /nfs/dbraw/zinc/50/07/52/573500752.db2.gz PPNKPJCNSARBCX-PWSUYJOCSA-N 0 0 176.259 2.856 10 0 AFAERN CC(=O)[C@H](C)c1oc(C)cc1C 238417316 573500844 /nfs/dbraw/zinc/50/08/44/573500844.db2.gz IALIIZBAMPJDAE-QMMMGPOBSA-N 0 0 166.220 2.589 10 0 AFAERN C[C@H]1CCC[C@@](O)(C(F)(F)F)CC1 83434672 573500870 /nfs/dbraw/zinc/50/08/70/573500870.db2.gz SMSSCDRMZJGJOL-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@]1(O)CCC[C@@H](C)CC1 83434507 573501007 /nfs/dbraw/zinc/50/10/07/573501007.db2.gz ODYFFDWSGIMFDL-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CCN(C/C=C\Cl)Cc1ccco1 308397888 573501043 /nfs/dbraw/zinc/50/10/43/573501043.db2.gz FMGZXWZKHWZYKB-XQRVVYSFSA-N 0 0 199.681 2.854 10 0 AFAERN CCSCCC[C@H](O)C(C)C 130266927 573501096 /nfs/dbraw/zinc/50/10/96/573501096.db2.gz WIXVRNHPFKPYAX-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN C[C@H](O)C[C@H](C)OC1=CCCC[C@H]1C 308609386 573501137 /nfs/dbraw/zinc/50/11/37/573501137.db2.gz XQKPWKTVXXRUID-VWYCJHECSA-N 0 0 198.306 2.866 10 0 AFAERN CCSCCC[C@@H](O)C(C)C 130267120 573501172 /nfs/dbraw/zinc/50/11/72/573501172.db2.gz WIXVRNHPFKPYAX-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN COCCCCC(=O)c1ccoc1C 308608791 573501178 /nfs/dbraw/zinc/50/11/78/573501178.db2.gz XNYUHCBDRXGDMS-UHFFFAOYSA-N 0 0 196.246 2.587 10 0 AFAERN CC(=O)[C@H](C)c1cc2ccccc2[nH]1 238417333 573501223 /nfs/dbraw/zinc/50/12/23/573501223.db2.gz ILSSESCDFATDKN-QMMMGPOBSA-N 0 0 187.242 2.860 10 0 AFAERN FCCN(Cc1cccs1)C1CC1 308397655 573501229 /nfs/dbraw/zinc/50/12/29/573501229.db2.gz GANZTSIJWYXICZ-UHFFFAOYSA-N 0 0 199.294 2.682 10 0 AFAERN COCn1ccc2cc(Cl)ccc21 75233815 573508694 /nfs/dbraw/zinc/50/86/94/573508694.db2.gz RFTITHYXDZBTJA-UHFFFAOYSA-N 0 0 195.649 2.899 10 0 AFAERN COCNc1ccccc1C(C)C 258759466 573508724 /nfs/dbraw/zinc/50/87/24/573508724.db2.gz XRVWYGCFQYGMEM-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN Cc1oc(N)nc1CCC1CCCC1 258710901 573508738 /nfs/dbraw/zinc/50/87/38/573508738.db2.gz YVWYOOLQIYGSRT-UHFFFAOYSA-N 0 0 194.278 2.688 10 0 AFAERN CC(=O)Cn1ccc2cc(C)ccc21 75233509 573508838 /nfs/dbraw/zinc/50/88/38/573508838.db2.gz KUMPFQRWGSVZOE-UHFFFAOYSA-N 0 0 187.242 2.539 10 0 AFAERN CCSCCC[C@H](C)[C@H](C)O 130274276 573508849 /nfs/dbraw/zinc/50/88/49/573508849.db2.gz BLXBLVHYHUVFPP-IUCAKERBSA-N 0 0 176.325 2.537 10 0 AFAERN CCSCC[C@H]1CCCC[C@H]1O 130269195 573508946 /nfs/dbraw/zinc/50/89/46/573508946.db2.gz UHKKOXBAMHQKJE-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC(=C=C=C1CCCCC1)[C@@H](C)O 238421267 573509019 /nfs/dbraw/zinc/50/90/19/573509019.db2.gz RJVMWFHRUQQGTK-LLVKDONJSA-N 0 0 178.275 2.958 10 0 AFAERN CCn1c(C)cc(/C=C(/C)CO)c1C 86592094 573509043 /nfs/dbraw/zinc/50/90/43/573509043.db2.gz JMFFIXXSYITDSX-TWGQIWQCSA-N 0 0 193.290 2.520 10 0 AFAERN CC/C=C(\C)C(=O)N(CC)CCC 308396114 573509072 /nfs/dbraw/zinc/50/90/72/573509072.db2.gz DERVTQCTSYEZSZ-CSKARUKUSA-N 0 0 183.295 2.601 10 0 AFAERN Cc1cc(C2(O)CCCC2)cs1 83447320 573509083 /nfs/dbraw/zinc/50/90/83/573509083.db2.gz DGLRYYQCJYRDKP-UHFFFAOYSA-N 0 0 182.288 2.818 10 0 AFAERN O=Cc1cccc([C@@H]2CC[C@@H]2CF)c1 259613524 573509214 /nfs/dbraw/zinc/50/92/14/573509214.db2.gz DTQCTSSJPFVXLU-NEPJUHHUSA-N 0 0 192.233 2.962 10 0 AFAERN Nc1ccccc1C(=O)CCCCF 308610586 573509246 /nfs/dbraw/zinc/50/92/46/573509246.db2.gz QODOOFPTPOCHFR-UHFFFAOYSA-N 0 0 195.237 2.591 10 0 AFAERN Cc1cc([C@](C)(O)C2CC2)cs1 83447499 573509268 /nfs/dbraw/zinc/50/92/68/573509268.db2.gz ISSPNJIQWBJPBR-SNVBAGLBSA-N 0 0 182.288 2.674 10 0 AFAERN Cc1cc([C@H](O)c2ccoc2)cs1 83448222 573509275 /nfs/dbraw/zinc/50/92/75/573509275.db2.gz KWVGIZLUOSMHNV-SNVBAGLBSA-N 0 0 194.255 2.731 10 0 AFAERN CCSCCC[C@@H](C)[C@H](C)O 130274012 573509361 /nfs/dbraw/zinc/50/93/61/573509361.db2.gz BLXBLVHYHUVFPP-BDAKNGLRSA-N 0 0 176.325 2.537 10 0 AFAERN CSCCC[C@@H]1CCCC[C@H]1O 130271585 573509388 /nfs/dbraw/zinc/50/93/88/573509388.db2.gz ZLBSMIAVWPXDDR-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@](C)(O)c1csc(C)c1 83447484 573509400 /nfs/dbraw/zinc/50/94/00/573509400.db2.gz BXWKCEYEILOPDC-VIFPVBQESA-N 0 0 170.277 2.674 10 0 AFAERN CCC(=O)c1csc(C)c1 83450001 573509422 /nfs/dbraw/zinc/50/94/22/573509422.db2.gz VFYHSYIWXOABCB-UHFFFAOYSA-N 0 0 154.234 2.649 10 0 AFAERN Cc1ccc(-c2nc(C=O)co2)s1 258051051 573509428 /nfs/dbraw/zinc/50/94/28/573509428.db2.gz KWIVCJYPYCBMMB-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CNc1nc(C)c(CC2CCCC2)o1 258734028 573519156 /nfs/dbraw/zinc/51/91/56/573519156.db2.gz JCYLAIXVYMSLOY-UHFFFAOYSA-N 0 0 194.278 2.757 10 0 AFAERN CCC1(c2ccccc2)CC(=O)C1 224220967 573519206 /nfs/dbraw/zinc/51/92/06/573519206.db2.gz ZSHOLJDHDNQDCR-UHFFFAOYSA-N 0 0 174.243 2.697 10 0 AFAERN C[C@@H](O)[C@H](F)C1CCCCCC1 257824053 573519269 /nfs/dbraw/zinc/51/92/69/573519269.db2.gz GQUNRDAPNNIJFL-SCZZXKLOSA-N 0 0 174.259 2.676 10 0 AFAERN CC(C)Cc1cc(N)cc(Cl)n1 257822738 573519276 /nfs/dbraw/zinc/51/92/76/573519276.db2.gz GHMHTBRCCFDSTN-UHFFFAOYSA-N 0 0 184.670 2.516 10 0 AFAERN CC1(CC(=O)[C@@H](O)C(C)(C)C)CCC1 308602991 573519468 /nfs/dbraw/zinc/51/94/68/573519468.db2.gz GCBWVOQBEPCYOG-SNVBAGLBSA-N 0 0 198.306 2.543 10 0 AFAERN CC1(CC(=O)[C@H](O)C(C)(C)C)CCC1 308602990 573519633 /nfs/dbraw/zinc/51/96/33/573519633.db2.gz GCBWVOQBEPCYOG-JTQLQIEISA-N 0 0 198.306 2.543 10 0 AFAERN O=Cc1cc(F)c2c(c1)CCCS2 257822514 573519695 /nfs/dbraw/zinc/51/96/95/573519695.db2.gz GHKZBXVSVHWZTE-UHFFFAOYSA-N 0 0 196.246 2.677 10 0 AFAERN C[C@H](O)C=C=CC1CCCCC1 238423442 573519822 /nfs/dbraw/zinc/51/98/22/573519822.db2.gz RBPVOMGHNCQDRE-MDNDIQLQSA-N 0 0 166.264 2.659 10 0 AFAERN CC[C@@H](C)C[C@@](C)(O)C1CC1 83503446 573531992 /nfs/dbraw/zinc/53/19/92/573531992.db2.gz IAYSXKICKWKSRJ-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1c(C=O)[nH]c2c(F)ccc(F)c12 257828498 573532012 /nfs/dbraw/zinc/53/20/12/573532012.db2.gz IJNXXWXOCGYZGE-UHFFFAOYSA-N 0 0 195.168 2.567 10 0 AFAERN COCNc1ccc(C)c(Cl)c1 258755371 573532019 /nfs/dbraw/zinc/53/20/19/573532019.db2.gz XGLRHQWKLSRVCR-UHFFFAOYSA-N 0 0 185.654 2.664 10 0 AFAERN CC(C)OCc1ccc2c(c1)CCN2 258058644 573532171 /nfs/dbraw/zinc/53/21/71/573532171.db2.gz ISQHTSKSRDARDM-UHFFFAOYSA-N 0 0 191.274 2.580 10 0 AFAERN CCc1sc(=O)[nH]c1C(C)C 257828557 573532226 /nfs/dbraw/zinc/53/22/26/573532226.db2.gz IIAGUIZTELDKRL-UHFFFAOYSA-N 0 0 171.265 2.535 10 0 AFAERN CC[C@@H](C)C[C@](C)(O)C1CC1 83503444 573532295 /nfs/dbraw/zinc/53/22/95/573532295.db2.gz IAYSXKICKWKSRJ-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC(=O)C[C@@H]1C=CC=CC[C@H]1C 238429149 573532317 /nfs/dbraw/zinc/53/23/17/573532317.db2.gz GRQHBSAQQFXKKO-KOLCDFICSA-N 0 0 164.248 2.734 10 0 AFAERN COc1c(N=O)[nH]c2ccccc12 238429864 573532338 /nfs/dbraw/zinc/53/23/38/573532338.db2.gz STKADFKXIOUNGO-UHFFFAOYSA-N 0 0 176.175 2.574 10 0 AFAERN CC(C)(C)C[C@H](O)Cc1ccoc1 130401454 573532393 /nfs/dbraw/zinc/53/23/93/573532393.db2.gz XLMFVIWRHMYHQQ-SNVBAGLBSA-N 0 0 182.263 2.619 10 0 AFAERN CC(C)c1cc2c(Cl)ncnc2o1 257828926 573532442 /nfs/dbraw/zinc/53/24/42/573532442.db2.gz IMTNQHPHGIVLIA-UHFFFAOYSA-N 0 0 196.637 3.000 10 0 AFAERN C[C@@H]1C[C@@H](O)C2=C1CCCCC2 238429974 573532459 /nfs/dbraw/zinc/53/24/59/573532459.db2.gz UGLDJFFIEFHHIQ-LDYMZIIASA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)SC[C@H](O)C(C)(C)C 83488815 573532464 /nfs/dbraw/zinc/53/24/64/573532464.db2.gz PHLZWGJQGQMOGQ-QMMMGPOBSA-N 0 0 176.325 2.535 10 0 AFAERN CC[C@@H](C)CNC(=O)OC(C)(C)C 83502305 573532619 /nfs/dbraw/zinc/53/26/19/573532619.db2.gz UVPPWFYZXXCKDZ-MRVPVSSYSA-N 0 0 187.283 2.557 10 0 AFAERN CC(C)=C/C=C/C[C@H](C)CO 238429932 573532666 /nfs/dbraw/zinc/53/26/66/573532666.db2.gz VOPMCHBWEUCZJB-YEZKRMTDSA-N 0 0 154.253 2.527 10 0 AFAERN CC(C)CSCC(=O)CC1CC1 83491329 573532668 /nfs/dbraw/zinc/53/26/68/573532668.db2.gz KWXDOQCMLPFCNB-UHFFFAOYSA-N 0 0 186.320 2.745 10 0 AFAERN OC1(CCc2ccsc2)CCCC1 83502777 573532719 /nfs/dbraw/zinc/53/27/19/573532719.db2.gz XTWSKJUJELEMLP-UHFFFAOYSA-N 0 0 196.315 2.986 10 0 AFAERN N/C(=C\c1ccncc1)c1ccccc1 308614444 573531960 /nfs/dbraw/zinc/53/19/60/573531960.db2.gz NTFVQENHRXQLSX-RAXLEYEMSA-N 0 0 196.253 2.538 10 0 AFAERN CC(C)CC[C@]1(O)CC[C@@H](C)C1 83506841 573536732 /nfs/dbraw/zinc/53/67/32/573536732.db2.gz NJBFPSQNMPAWQB-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@]1(O)CCC[C@@H]1C 83507523 573536747 /nfs/dbraw/zinc/53/67/47/573536747.db2.gz LPLUHJLTNFHDOE-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)CC[C@]1(O)CC[C@H](C)C1 83506842 573536821 /nfs/dbraw/zinc/53/68/21/573536821.db2.gz NJBFPSQNMPAWQB-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1cc(C(C)(C)CO)ccc1F 258053568 573536838 /nfs/dbraw/zinc/53/68/38/573536838.db2.gz KSJMULCUBOOCOW-UHFFFAOYSA-N 0 0 196.265 2.658 10 0 AFAERN CC1(c2ccc(Cl)cc2)COC1 258761429 573536844 /nfs/dbraw/zinc/53/68/44/573536844.db2.gz SGQPGAKVIBYHOV-UHFFFAOYSA-N 0 0 182.650 2.628 10 0 AFAERN C[C@@H]1CC[C@@](O)(Cc2cccs2)C1 83506817 573536846 /nfs/dbraw/zinc/53/68/46/573536846.db2.gz NGWHHBLKXFUBQI-KOLCDFICSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@H](O)[C@]12CCCC[C@H]1CCC2 238430790 573536888 /nfs/dbraw/zinc/53/68/88/573536888.db2.gz AKHYUQYYOFPMEX-GARJFASQSA-N 0 0 168.280 2.728 10 0 AFAERN CCc1ccc2nc(Cl)ncc2c1 224244509 573536906 /nfs/dbraw/zinc/53/69/06/573536906.db2.gz YKACQAZNAAESQB-UHFFFAOYSA-N 0 0 192.649 2.846 10 0 AFAERN CC(C)c1[nH]c(=O)[nH]c1C1CCC1 257829071 573536946 /nfs/dbraw/zinc/53/69/46/573536946.db2.gz ISBFMTDGMAXGIZ-UHFFFAOYSA-N 0 0 180.251 2.506 10 0 AFAERN C[C@@H]1CC[C@](O)(Cc2cccs2)C1 83506815 573536972 /nfs/dbraw/zinc/53/69/72/573536972.db2.gz NGWHHBLKXFUBQI-MWLCHTKSSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@H]1CCCC[C@@]12CCC(=O)C2 238430541 573537106 /nfs/dbraw/zinc/53/71/06/573537106.db2.gz IAFMEGGPSFSGNG-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CCCC[C@@]1(O)CC[C@H](C)C1 83506768 573537135 /nfs/dbraw/zinc/53/71/35/573537135.db2.gz ITKUFMQGDXZYFG-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)CC[C@@]1(O)CC[C@H](C)C1 83506840 573537144 /nfs/dbraw/zinc/53/71/44/573537144.db2.gz NJBFPSQNMPAWQB-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCOc2cccc(c2)NC1 238434168 573537221 /nfs/dbraw/zinc/53/72/21/573537221.db2.gz QTMWRQIWFVQYNH-SECBINFHSA-N 0 0 177.247 2.517 10 0 AFAERN CCCC[C@@]1(O)CCC[C@@H]1C 83507524 573537222 /nfs/dbraw/zinc/53/72/22/573537222.db2.gz LPLUHJLTNFHDOE-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@H](CCO)Sc1ccccc1 135755655 573537315 /nfs/dbraw/zinc/53/73/15/573537315.db2.gz KLFUYDKDGMWCOQ-VIFPVBQESA-N 0 0 182.288 2.550 10 0 AFAERN CCSCC[C@@H](C(C)C)[C@H](C)O 130303205 573537384 /nfs/dbraw/zinc/53/73/84/573537384.db2.gz NEGNALHLQZVBJD-UWVGGRQHSA-N 0 0 190.352 2.783 10 0 AFAERN C=C=C1CCC[C@]12CCC(=O)[C@@H]2C 238433827 573537406 /nfs/dbraw/zinc/53/74/06/573537406.db2.gz PNDKIPWNBJUVSL-JOYOIKCWSA-N 0 0 176.259 2.867 10 0 AFAERN CSCCC[C@H](C(C)C)[C@H](C)O 130305750 573537490 /nfs/dbraw/zinc/53/74/90/573537490.db2.gz DDQMPQIYRVGKIX-VHSXEESVSA-N 0 0 190.352 2.783 10 0 AFAERN C[C@H]1CCCC[C@@]12CCCC2=O 238430559 573537521 /nfs/dbraw/zinc/53/75/21/573537521.db2.gz JRFVMWCJHBQJEX-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@H]1CC[C@@]23CCC[C@@]12C(=O)CC3 238431159 573537547 /nfs/dbraw/zinc/53/75/47/573537547.db2.gz UVACWBBGBSBRTH-WCQGTBRESA-N 0 0 178.275 2.936 10 0 AFAERN C[C@@H](/C=C\c1ccccc1)[C@@H](C)CO 220599105 573537552 /nfs/dbraw/zinc/53/75/52/573537552.db2.gz LRPPGMYBXSAKDV-RTVKQWPZSA-N 0 0 190.286 2.964 10 0 AFAERN CC[C@H](C)C[C@@]1(O)CC[C@H](C)C1 83506870 573537570 /nfs/dbraw/zinc/53/75/70/573537570.db2.gz NCBTZERGOATRIV-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C[C@@H](O)C[C@@H]2CCCC[C@]21C 238430698 573537615 /nfs/dbraw/zinc/53/76/15/573537615.db2.gz WBLFVBDOCSVBMP-KXNHARMFSA-N 0 0 182.307 2.974 10 0 AFAERN CSCCCC[C@@H](O)CC(C)C 130312564 573537651 /nfs/dbraw/zinc/53/76/51/573537651.db2.gz VZYMNLJIIZDUGG-SNVBAGLBSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1cc(F)ccc1SC(C)(C)[NH3+] 259104327 573537653 /nfs/dbraw/zinc/53/76/53/573537653.db2.gz ADLXEGOSYQCFGS-UHFFFAOYSA-N 0 0 199.294 2.921 10 0 AFAERN C[C@H]1CCCC[C@H](C)C(=O)C1 238431011 573537694 /nfs/dbraw/zinc/53/76/94/573537694.db2.gz UONGQQFGQCQQJX-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC[C@]1(O)CCC[C@H]1C 83507525 573537733 /nfs/dbraw/zinc/53/77/33/573537733.db2.gz LPLUHJLTNFHDOE-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@H]1C=CC2=CCC[C@H](O)[C@@H]2[C@H]1C 224241444 573537755 /nfs/dbraw/zinc/53/77/55/573537755.db2.gz QMOWHHXRPPPVMR-LLHIFLOGSA-N 0 0 178.275 2.526 10 0 AFAERN C/C=C\COc1cc(N)c(C)cc1C 220620979 573537802 /nfs/dbraw/zinc/53/78/02/573537802.db2.gz OENRYQQJHVPRQN-PLNGDYQASA-N 0 0 191.274 2.841 10 0 AFAERN CCCC[C@]1(O)CC[C@@H](C)C1 83506769 573537819 /nfs/dbraw/zinc/53/78/19/573537819.db2.gz ITKUFMQGDXZYFG-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CSCCC[C@@H](O)C1CCCC1 130317016 573537823 /nfs/dbraw/zinc/53/78/23/573537823.db2.gz YFTURHZMWHGOPS-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CCCC[C@@]1(O)CC[C@@H](C)C1 83506770 573537906 /nfs/dbraw/zinc/53/79/06/573537906.db2.gz ITKUFMQGDXZYFG-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@H]1CC[C@](O)(Cc2ccsc2)C1 83506835 573537955 /nfs/dbraw/zinc/53/79/55/573537955.db2.gz HGNXWKKDHUJRQT-MWLCHTKSSA-N 0 0 196.315 2.842 10 0 AFAERN CC[C@H](C)C[C@]1(O)CC[C@H](C)C1 83506868 573537971 /nfs/dbraw/zinc/53/79/71/573537971.db2.gz NCBTZERGOATRIV-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1CC[C@@](O)(Cc2ccsc2)C1 83506838 573537977 /nfs/dbraw/zinc/53/79/77/573537977.db2.gz HGNXWKKDHUJRQT-ONGXEEELSA-N 0 0 196.315 2.842 10 0 AFAERN Cc1ccc(C=O)c(Cl)c1C 220548625 573538005 /nfs/dbraw/zinc/53/80/05/573538005.db2.gz PDUPVEGVNZWMHY-UHFFFAOYSA-N 0 0 168.623 2.769 10 0 AFAERN O=CN/C=C\c1cccc2ccccc12 308615386 573538028 /nfs/dbraw/zinc/53/80/28/573538028.db2.gz RFFJMEBQUDEPMF-HJWRWDBZSA-N 0 0 197.237 2.557 10 0 AFAERN CC(C)CC[C@@]1(O)CC[C@@H](C)C1 83506839 573538127 /nfs/dbraw/zinc/53/81/27/573538127.db2.gz NJBFPSQNMPAWQB-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1c(C=O)c2cccc3c2n1CCC3 259493983 573538132 /nfs/dbraw/zinc/53/81/32/573538132.db2.gz PPHZZGUKPOKXNO-UHFFFAOYSA-N 0 0 199.253 2.708 10 0 AFAERN CCCC[C@]1(O)CC[C@H](C)C1 83506767 573538176 /nfs/dbraw/zinc/53/81/76/573538176.db2.gz ITKUFMQGDXZYFG-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CSCCC[C@@H](C(C)C)[C@H](C)O 130305979 573538206 /nfs/dbraw/zinc/53/82/06/573538206.db2.gz DDQMPQIYRVGKIX-UWVGGRQHSA-N 0 0 190.352 2.783 10 0 AFAERN C[C@H]1CC[C@@](O)(Cc2cccs2)C1 83506818 573538237 /nfs/dbraw/zinc/53/82/37/573538237.db2.gz NGWHHBLKXFUBQI-ONGXEEELSA-N 0 0 196.315 2.842 10 0 AFAERN Cc1cc(O)cc2c1[C@H](C)CCC2=O 238436134 573546224 /nfs/dbraw/zinc/54/62/24/573546224.db2.gz VNVQMJVHRNAEOU-SSDOTTSWSA-N 0 0 190.242 2.781 10 0 AFAERN O[C@@H]1C=C(c2cccc(F)c2F)CC1 83548706 573546239 /nfs/dbraw/zinc/54/62/39/573546239.db2.gz FLURUNIQKKQGNV-QMMMGPOBSA-N 0 0 196.196 2.503 10 0 AFAERN COc1c(C=O)cc(Cl)c(C)c1C 107367109 573546246 /nfs/dbraw/zinc/54/62/46/573546246.db2.gz SRZKWYCXQFROAM-UHFFFAOYSA-N 0 0 198.649 2.778 10 0 AFAERN C[C@@H]1CCC(=O)[C@H]2CC=CC[C@]21C 238435725 573546328 /nfs/dbraw/zinc/54/63/28/573546328.db2.gz KOSHAXSAUDRXSH-FOGDFJRCSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1ccccc1C1=C[C@@H](O)CC1 83549239 573546345 /nfs/dbraw/zinc/54/63/45/573546345.db2.gz VDWYRWYNISYPGH-NSHDSACASA-N 0 0 174.243 2.533 10 0 AFAERN Cc1cc(F)cc(C(=O)C(C)C)c1O 107364164 573546426 /nfs/dbraw/zinc/54/64/26/573546426.db2.gz RAUCUFSMHSIRMQ-UHFFFAOYSA-N 0 0 196.221 2.678 10 0 AFAERN [NH3+]C1([C@@H](F)c2cccc(F)c2)CCC1 257825306 573546436 /nfs/dbraw/zinc/54/64/36/573546436.db2.gz HDVDXCJBCAZKDN-JTQLQIEISA-N 0 0 197.228 2.718 10 0 AFAERN O[C@H]1C=C(c2cc(F)ccc2F)CC1 83548692 573546468 /nfs/dbraw/zinc/54/64/68/573546468.db2.gz YRYWQSDBSDVJDO-SECBINFHSA-N 0 0 196.196 2.503 10 0 AFAERN O[C@@H]1C=C(c2ccc(F)c(F)c2)CC1 83549196 573546504 /nfs/dbraw/zinc/54/65/04/573546504.db2.gz HJDQVONVLYPNNT-VIFPVBQESA-N 0 0 196.196 2.503 10 0 AFAERN CC[C@@H](C)C(=O)CC1(COC)CCC1 308611481 573546527 /nfs/dbraw/zinc/54/65/27/573546527.db2.gz NIKWWHOFYWFQDI-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN O[C@H]1C=C(CC2CCCC2)CC1 83548806 573546597 /nfs/dbraw/zinc/54/65/97/573546597.db2.gz UNUANGCMNRXRCW-LLVKDONJSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cc([C@H](C)O)c(C)c(C)c1C 238435650 573546615 /nfs/dbraw/zinc/54/66/15/573546615.db2.gz PLVVQGINHSXQGM-NSHDSACASA-N 0 0 178.275 2.974 10 0 AFAERN Cc1ccc(F)cc1C1=C[C@@H](O)CC1 83548814 573546619 /nfs/dbraw/zinc/54/66/19/573546619.db2.gz UWPJGIRXZJRUTQ-NSHDSACASA-N 0 0 192.233 2.672 10 0 AFAERN Cc1cccc(C2=C[C@@H](O)CC2)c1 83548670 573546626 /nfs/dbraw/zinc/54/66/26/573546626.db2.gz LMQPOSBWRGOHML-LBPRGKRZSA-N 0 0 174.243 2.533 10 0 AFAERN O[C@@H]1C=C(CCc2cccs2)CC1 83548629 573546683 /nfs/dbraw/zinc/54/66/83/573546683.db2.gz YFBGUQBRSMZFLQ-JTQLQIEISA-N 0 0 194.299 2.762 10 0 AFAERN C[C@H](CO)[C@@H]1CCCC(C)(C)C1 238436194 573546734 /nfs/dbraw/zinc/54/67/34/573546734.db2.gz FICGLESTTWBZKH-NXEZZACHSA-N 0 0 170.296 2.831 10 0 AFAERN Cc1ccc(CC2=C[C@H](O)CC2)cc1 83548976 573546762 /nfs/dbraw/zinc/54/67/62/573546762.db2.gz SGYQYTYQEDKWSP-CYBMUJFWSA-N 0 0 188.270 2.619 10 0 AFAERN CC(C)CCC1=C[C@H](O)CC1 83548582 573546773 /nfs/dbraw/zinc/54/67/73/573546773.db2.gz MKPKZIIHDHXWKJ-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H]1CCC(=O)[C@@]23C=C[C@@]12CCC3 238435997 573546836 /nfs/dbraw/zinc/54/68/36/573546836.db2.gz YUADWQDPTZBXHA-ADEWGFFLSA-N 0 0 176.259 2.712 10 0 AFAERN CC(C)CCC1=C[C@@H](O)CC1 83548584 573546837 /nfs/dbraw/zinc/54/68/37/573546837.db2.gz MKPKZIIHDHXWKJ-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN CCCCCC1=C[C@H](O)CC1 83548882 573546843 /nfs/dbraw/zinc/54/68/43/573546843.db2.gz NOSMLJPQZFIICZ-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccccc1C1=C[C@H](O)CC1 83549237 573549552 /nfs/dbraw/zinc/54/95/52/573549552.db2.gz VDWYRWYNISYPGH-LLVKDONJSA-N 0 0 174.243 2.533 10 0 AFAERN O[C@H]1C=C(C2CCCCC2)CC1 83548736 573549600 /nfs/dbraw/zinc/54/96/00/573549600.db2.gz VJGYMQYXTPNSPA-LLVKDONJSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccccc1CC1=C[C@@H](O)CC1 83548565 573549604 /nfs/dbraw/zinc/54/96/04/573549604.db2.gz DRCQVZJXQPKPCL-ZDUSSCGKSA-N 0 0 188.270 2.619 10 0 AFAERN Cc1ccc([C@@H](CF)[C@H](C)CO)cc1 308629135 573549642 /nfs/dbraw/zinc/54/96/42/573549642.db2.gz RGEKTDJQXKFTFH-PWSUYJOCSA-N 0 0 196.265 2.677 10 0 AFAERN C[C@H]1CC[C@H](C)C(C)(C)[C@@H]1CO 238436917 573549654 /nfs/dbraw/zinc/54/96/54/573549654.db2.gz RNWYJNBPRXVDJE-LPEHRKFASA-N 0 0 170.296 2.687 10 0 AFAERN CC[C@H]1CC(=O)Nc2c(F)cccc21 257826208 573549676 /nfs/dbraw/zinc/54/96/76/573549676.db2.gz HLEXUHLQERKLSY-ZETCQYMHSA-N 0 0 193.221 2.662 10 0 AFAERN Cc1ccc([C@@H](C)[C@H](C)CO)cc1 238436860 573549707 /nfs/dbraw/zinc/54/97/07/573549707.db2.gz GAFSGIWIQQYZPU-MNOVXSKESA-N 0 0 178.275 2.727 10 0 AFAERN CC(C)=CC[C@H]1C[C@H](C)CC1=O 238438007 573549732 /nfs/dbraw/zinc/54/97/32/573549732.db2.gz VWWLVOAVCJBVOC-UWVGGRQHSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1cccc(C2=C[C@@H](O)CC2)c1C 83549090 573549782 /nfs/dbraw/zinc/54/97/82/573549782.db2.gz FIMVJSOFFFZUGS-LBPRGKRZSA-N 0 0 188.270 2.842 10 0 AFAERN Cc1ccc(C2=C[C@@H](O)CC2)cc1C 83548759 573549804 /nfs/dbraw/zinc/54/98/04/573549804.db2.gz ILHLKJFUKPBUBA-ZDUSSCGKSA-N 0 0 188.270 2.842 10 0 AFAERN O[C@@H]1C=C(C2CCCCC2)CC1 83548737 573549874 /nfs/dbraw/zinc/54/98/74/573549874.db2.gz VJGYMQYXTPNSPA-NSHDSACASA-N 0 0 166.264 2.648 10 0 AFAERN CSC[C@H](C)C(=O)CCC(C)C 144506219 573549964 /nfs/dbraw/zinc/54/99/64/573549964.db2.gz QEEYUIXJHGGWKN-VIFPVBQESA-N 0 0 188.336 2.991 10 0 AFAERN CC(C)=C[C@@H]1[C@@H]([C@@H](C)O)C1(C)C 238438139 573549968 /nfs/dbraw/zinc/54/99/68/573549968.db2.gz PAULLYIHTXPLDP-OPRDCNLKSA-N 0 0 168.280 2.606 10 0 AFAERN Cc1ccccc1[C@@H](C)[C@H](C)CO 238436885 573550046 /nfs/dbraw/zinc/55/00/46/573550046.db2.gz YOASLMZFOGZERG-MNOVXSKESA-N 0 0 178.275 2.727 10 0 AFAERN CCc1cc(OC)c(C)c(C)c1OC 259505701 573554848 /nfs/dbraw/zinc/55/48/48/573554848.db2.gz USWWUWAURMQEMM-UHFFFAOYSA-N 0 0 194.274 2.883 10 0 AFAERN CN(C)c1cccc(O)c1C(C)(C)C 95711951 573554891 /nfs/dbraw/zinc/55/48/91/573554891.db2.gz OMFPUICKXBZXGY-UHFFFAOYSA-N 0 0 193.290 2.756 10 0 AFAERN CC(C)(C)c1ccc2c(c1N)CCO2 75396899 573554915 /nfs/dbraw/zinc/55/49/15/573554915.db2.gz AZNIWYHHHKMKIF-UHFFFAOYSA-N 0 0 191.274 2.501 10 0 AFAERN CC(C)N1N=CC(=O)C1C1CCCC1 257830129 573555144 /nfs/dbraw/zinc/55/51/44/573555144.db2.gz IWZDGIUXPPUVNV-UHFFFAOYSA-N 0 0 194.278 2.827 10 0 AFAERN Nc1cc2ccsc2cc1F 75397092 573555166 /nfs/dbraw/zinc/55/51/66/573555166.db2.gz AOBIFEZPNCDPPE-UHFFFAOYSA-N 0 0 167.208 2.623 10 0 AFAERN OC1(CC[C@@H]2CCCCS2)CC1 258061153 573555204 /nfs/dbraw/zinc/55/52/04/573555204.db2.gz PTBKQTKVDRWULR-VIFPVBQESA-N 0 0 186.320 2.577 10 0 AFAERN O[C@H]1CCCC2(CCCCC2)C1 223130102 573555255 /nfs/dbraw/zinc/55/52/55/573555255.db2.gz UWLWUZSGTCNEHL-JTQLQIEISA-N 0 0 168.280 2.872 10 0 AFAERN C[C@H]1CCCC[C@]1(C)CCO 238438818 573555276 /nfs/dbraw/zinc/55/52/76/573555276.db2.gz YEQCWIIMYXLNCS-VHSXEESVSA-N 0 0 156.269 2.585 10 0 AFAERN CCCc1nc(C)c(CC(C)=O)s1 259122392 573555319 /nfs/dbraw/zinc/55/53/19/573555319.db2.gz BWQLVBQMZCCMJK-UHFFFAOYSA-N 0 0 197.303 2.536 10 0 AFAERN CC(C)OP(=O)(C#N)OC(C)C 95731478 573559957 /nfs/dbraw/zinc/55/99/57/573559957.db2.gz YAOQCOUSDPCULI-UHFFFAOYSA-N 0 0 191.167 2.511 10 0 AFAERN C/C=C\CCC(=O)[C@H](CO)CCCC 308622088 573560020 /nfs/dbraw/zinc/56/00/20/573560020.db2.gz GGDJHFWSJRYWAP-MZBZXASESA-N 0 0 198.306 2.711 10 0 AFAERN CC(C)Cc1cccc([C@@H](C)CO)c1 257831014 573560028 /nfs/dbraw/zinc/56/00/28/573560028.db2.gz JWPKINQKXVSCQJ-NSHDSACASA-N 0 0 192.302 2.981 10 0 AFAERN CCNc1cc(NCC)c(F)cc1C 145141490 573560084 /nfs/dbraw/zinc/56/00/84/573560084.db2.gz CVUUBZGXNIKGLR-UHFFFAOYSA-N 0 0 196.269 2.998 10 0 AFAERN CC(C)Nc1ccc2c(c1)NCCC2 86679211 573560171 /nfs/dbraw/zinc/56/01/71/573560171.db2.gz PSBISPNWUCRVNZ-UHFFFAOYSA-N 0 0 190.290 2.865 10 0 AFAERN CC1(C)C(=O)CCc2c(F)cccc21 259509456 573560172 /nfs/dbraw/zinc/56/01/72/573560172.db2.gz ZHKFJJUWGFLYGL-UHFFFAOYSA-N 0 0 192.233 2.619 10 0 AFAERN Cc1cc(C[C@@H](CO)C(C)C)cs1 393535780 573560287 /nfs/dbraw/zinc/56/02/87/573560287.db2.gz DDLTVGNCEVKBGZ-NSHDSACASA-N 0 0 198.331 2.864 10 0 AFAERN CCC(CC)c1nc(CO)c(C)s1 259509260 573560483 /nfs/dbraw/zinc/56/04/83/573560483.db2.gz ROFGIZVHQRQROW-UHFFFAOYSA-N 0 0 199.319 2.847 10 0 AFAERN Cc1ccc([C@]2(O)C[C@@H]2C)c(Cl)c1 235618488 573560594 /nfs/dbraw/zinc/56/05/94/573560594.db2.gz RJYVBUOBRPKSHV-KWQFWETISA-N 0 0 196.677 2.876 10 0 AFAERN Cc1ccc(Cl)c(C2(O)CC2)c1 258061795 573560612 /nfs/dbraw/zinc/56/06/12/573560612.db2.gz LKOQLGWLJLAWSJ-UHFFFAOYSA-N 0 0 182.650 2.630 10 0 AFAERN Cc1sc(CC(C)(C)C)nc1N 75404458 573560625 /nfs/dbraw/zinc/56/06/25/573560625.db2.gz ARSRROZLEBPDQY-UHFFFAOYSA-N 0 0 184.308 2.622 10 0 AFAERN C/C=C(/C)[C@@H](OC)[C@@H](C)/C=C(\C)CO 308622833 573560636 /nfs/dbraw/zinc/56/06/36/573560636.db2.gz HEVNUWWWORREQN-MFOMRMIDSA-N 0 0 198.306 2.542 10 0 AFAERN CC(C)(F)c1ccccc1CCCO 258061815 573560687 /nfs/dbraw/zinc/56/06/87/573560687.db2.gz LLFIQRWQWRXSIW-UHFFFAOYSA-N 0 0 196.265 2.816 10 0 AFAERN Cc1ccc(Nc2cc(C)[nH]n2)cc1 145239344 573565356 /nfs/dbraw/zinc/56/53/56/573565356.db2.gz MHJRKCUFLMRRRF-UHFFFAOYSA-N 0 0 187.246 2.770 10 0 AFAERN C[C@@H]1CCC(=O)CC[C@@H](C)C1 238433118 573565393 /nfs/dbraw/zinc/56/53/93/573565393.db2.gz XSKXMUZXPOWGER-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H](O)/C=C/C=C1CCCCC1 238432361 573565399 /nfs/dbraw/zinc/56/53/99/573565399.db2.gz OBDKLJSEJDFHFO-PORFMDCZSA-N 0 0 166.264 2.814 10 0 AFAERN CCn1c(C(C)C)nc2cccnc21 258777800 573565415 /nfs/dbraw/zinc/56/54/15/573565415.db2.gz PWUOYBDFRPDGNM-UHFFFAOYSA-N 0 0 189.262 2.575 10 0 AFAERN CCOc1cc(O)ccc1OC(C)C 238270829 573565481 /nfs/dbraw/zinc/56/54/81/573565481.db2.gz VRYJPGTYZQBAKB-UHFFFAOYSA-N 0 0 196.246 2.578 10 0 AFAERN Clc1sc(Cl)c2c1CNC2 145215448 573565573 /nfs/dbraw/zinc/56/55/73/573565573.db2.gz BULXLYNIRLHEJT-UHFFFAOYSA-N 0 0 194.086 2.658 10 0 AFAERN CC1=CCCC(C)(C)[C@@H]1[C@@H](C)O 238432693 573565835 /nfs/dbraw/zinc/56/58/35/573565835.db2.gz GFAOXDPCLVCBMZ-ZJUUUORDSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H](/C=C/CO)/C=C/c1ccccc1 308624417 573565925 /nfs/dbraw/zinc/56/59/25/573565925.db2.gz JLNCPPOCEJXLTF-WRMPOGAGSA-N 0 0 188.270 2.884 10 0 AFAERN COC(=O)[C@H](CC1CCC1)C(C)C 259511451 573565965 /nfs/dbraw/zinc/56/59/65/573565965.db2.gz VDNIEIRSPSTAQQ-SNVBAGLBSA-N 0 0 184.279 2.622 10 0 AFAERN C[C@@H](O)CCC=C1CCCC1 145236648 573568403 /nfs/dbraw/zinc/56/84/03/573568403.db2.gz FCZJOXSWFLYEBQ-SECBINFHSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H](O)[C@@H]1CC(C)(C)c2ccccc21 238433029 573568447 /nfs/dbraw/zinc/56/84/47/573568447.db2.gz VSVQEIGOZDSWLZ-KOLCDFICSA-N 0 0 190.286 2.832 10 0 AFAERN Cc1cc2occc2cc1C=O 75428008 573568448 /nfs/dbraw/zinc/56/84/48/573568448.db2.gz SDVQSIVWZJHCOP-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN Cc1ccc(C)c(-c2ccno2)c1 83618023 573568671 /nfs/dbraw/zinc/56/86/71/573568671.db2.gz AVMOYBRHDQYFRW-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CO[C@@H](C)CC[C@@H](O)CC1=CCCC1 400405356 573568680 /nfs/dbraw/zinc/56/86/80/573568680.db2.gz SQEZSRUFLHSANT-CMPLNLGQSA-N 0 0 198.306 2.663 10 0 AFAERN C[C@@H]1CCC2(CCCCC2)[C@@H]1O 197056834 573568702 /nfs/dbraw/zinc/56/87/02/573568702.db2.gz MUNPIPPAEJFQIA-NXEZZACHSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H](/C=C\CO)/C=C\c1ccccc1 308624412 573568705 /nfs/dbraw/zinc/56/87/05/573568705.db2.gz JLNCPPOCEJXLTF-ANNHGLOISA-N 0 0 188.270 2.884 10 0 AFAERN CC1(C)Cc2cc(F)ccc2O1 59509430 573568767 /nfs/dbraw/zinc/56/87/67/573568767.db2.gz HBJISFLXUOHMKZ-UHFFFAOYSA-N 0 0 166.195 2.539 10 0 AFAERN C[C@@H]1Oc2ccccc2N=C1Cl 75422722 573568770 /nfs/dbraw/zinc/56/87/70/573568770.db2.gz FQYNOLXJVTXSDP-LURJTMIESA-N 0 0 181.622 2.736 10 0 AFAERN O=Cc1csc2c(F)cccc12 75426417 573568777 /nfs/dbraw/zinc/56/87/77/573568777.db2.gz NGCZJUUYQAFJMR-UHFFFAOYSA-N 0 0 180.203 2.853 10 0 AFAERN CCc1c(C=O)sc2ccoc12 75426737 573568818 /nfs/dbraw/zinc/56/88/18/573568818.db2.gz WBIBZBOZQQOGPG-UHFFFAOYSA-N 0 0 180.228 2.869 10 0 AFAERN Cc1ccc2c(c1)OCC(Cl)=N2 75422727 573568860 /nfs/dbraw/zinc/56/88/60/573568860.db2.gz HQJBZECEEVPYRL-UHFFFAOYSA-N 0 0 181.622 2.656 10 0 AFAERN CCc1noc2c(C(C)=O)cccc12 257831823 573568940 /nfs/dbraw/zinc/56/89/40/573568940.db2.gz JNCACCMEZLRZHP-UHFFFAOYSA-N 0 0 189.214 2.593 10 0 AFAERN C[C@H]1C(=O)CCC2=C1CCCC2 238433313 573569813 /nfs/dbraw/zinc/56/98/13/573569813.db2.gz FMBSTRIYJDODOA-MRVPVSSYSA-N 0 0 164.248 2.856 10 0 AFAERN CC(C)=C1CC[C@@H]([C@@H](C)O)C1 238433228 573569822 /nfs/dbraw/zinc/56/98/22/573569822.db2.gz HGQYLGRRVQZROQ-PSASIEDQSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)c1cc2c(o1)C(=O)CC2 107401522 573569910 /nfs/dbraw/zinc/56/99/10/573569910.db2.gz YTPKZRJROPZKNB-UHFFFAOYSA-N 0 0 164.204 2.532 10 0 AFAERN C[C@H](O)c1cncc(-c2ccccc2)c1 259513475 573569921 /nfs/dbraw/zinc/56/99/21/573569921.db2.gz ZQXFAJSQYIEDSH-JTQLQIEISA-N 0 0 199.253 2.802 10 0 AFAERN C[C@H]1C=CCC[C@@]12CCCC2=O 238443913 573569956 /nfs/dbraw/zinc/56/99/56/573569956.db2.gz FKKQJWXDWYJJTM-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN O=Cc1csc2c(F)ccc(F)c12 75426413 573570067 /nfs/dbraw/zinc/57/00/67/573570067.db2.gz ZXQYZZAOURJOPE-UHFFFAOYSA-N 0 0 198.193 2.992 10 0 AFAERN C[C@@H]1CC[C@@H](O)C=C1c1ccccc1 238444397 573570071 /nfs/dbraw/zinc/57/00/71/573570071.db2.gz NGPNFROQMKOSCW-ZYHUDNBSSA-N 0 0 188.270 2.861 10 0 AFAERN C[C@@H](/C=C\CO)/C=C/c1ccccc1 308624413 573570100 /nfs/dbraw/zinc/57/01/00/573570100.db2.gz JLNCPPOCEJXLTF-QAVJWSOPSA-N 0 0 188.270 2.884 10 0 AFAERN COc1ccc(C)cc1-c1ccno1 83618011 573570139 /nfs/dbraw/zinc/57/01/39/573570139.db2.gz RALVLVRZONPNHT-UHFFFAOYSA-N 0 0 189.214 2.659 10 0 AFAERN COC(=N)c1ccc(C(F)F)cc1 124649599 573570163 /nfs/dbraw/zinc/57/01/63/573570163.db2.gz UTDOVVJVXAZDRT-UHFFFAOYSA-N 0 0 185.173 2.596 10 0 AFAERN CC/C(=C/c1ccc(F)cc1C)CO 211926190 573570217 /nfs/dbraw/zinc/57/02/17/573570217.db2.gz QWILOUISWAJLLF-YFHOEESVSA-N 0 0 194.249 2.920 10 0 AFAERN C[C@H]1Oc2ccccc2N=C1Cl 75422721 573570286 /nfs/dbraw/zinc/57/02/86/573570286.db2.gz FQYNOLXJVTXSDP-ZCFIWIBFSA-N 0 0 181.622 2.736 10 0 AFAERN CCC/C(=C\Cc1ccccc1)CO 308625825 573570300 /nfs/dbraw/zinc/57/03/00/573570300.db2.gz LFKRKEVEQNOGES-JLHYYAGUSA-N 0 0 190.286 2.948 10 0 AFAERN Cc1cc(-c2ccno2)c(C)o1 83617994 573570330 /nfs/dbraw/zinc/57/03/30/573570330.db2.gz MKJJGTKTNXEGAJ-UHFFFAOYSA-N 0 0 163.176 2.551 10 0 AFAERN CC(=O)C[C@@H](C)CCCC/C=C\CO 308623793 573570370 /nfs/dbraw/zinc/57/03/70/573570370.db2.gz IIZXSSVGOYSXBB-XOIDGJRKSA-N 0 0 198.306 2.711 10 0 AFAERN O=C1CCC=CCCC=CCCCN1 308401378 573576922 /nfs/dbraw/zinc/57/69/22/573576922.db2.gz WUINTXSZUUJNAU-UHFFFAOYSA-N 0 0 193.290 2.569 10 0 AFAERN Cc1cc(F)cc(C(=O)C2CC2)c1 86692966 573576935 /nfs/dbraw/zinc/57/69/35/573576935.db2.gz AHAPJQQCXTWSSP-UHFFFAOYSA-N 0 0 178.206 2.727 10 0 AFAERN C[C@H]1C(=O)CCCCC1(C)C 238433367 573573347 /nfs/dbraw/zinc/57/33/47/573573347.db2.gz XLWFLZVZNXAKGM-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN COc1c(C)cc(OC2CC2)cc1C 238444012 573573423 /nfs/dbraw/zinc/57/34/23/573573423.db2.gz XZDHAEMJYSBBJG-UHFFFAOYSA-N 0 0 192.258 2.853 10 0 AFAERN C[C@@H]1CCN1c1ccc(N)cc1Cl 86687351 573573586 /nfs/dbraw/zinc/57/35/86/573573586.db2.gz QAAWGJUVDYJYNW-SSDOTTSWSA-N 0 0 196.681 2.521 10 0 AFAERN CC(=O)c1oncc1C1CCCCC1 257832572 573573628 /nfs/dbraw/zinc/57/36/28/573573628.db2.gz KPXGSVPOXMMQQY-UHFFFAOYSA-N 0 0 193.246 2.925 10 0 AFAERN C[C@H]1CCN1c1cc(Cl)ccc1N 86687583 573573708 /nfs/dbraw/zinc/57/37/08/573573708.db2.gz PQQIYWYZCSWEKP-ZETCQYMHSA-N 0 0 196.681 2.521 10 0 AFAERN COc1cc2c(cc1C(C)C)NCC2 257832437 573573735 /nfs/dbraw/zinc/57/37/35/573573735.db2.gz JTRMPDCZCCCKSG-UHFFFAOYSA-N 0 0 191.274 2.787 10 0 AFAERN C[C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1O 145294510 573577026 /nfs/dbraw/zinc/57/70/26/573577026.db2.gz DDGAQRSUOKMPFQ-AEJSXWLSSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cc(F)cc([C@H](O)C2CC2)c1 86692745 573577177 /nfs/dbraw/zinc/57/71/77/573577177.db2.gz LGMZQAFIDQYFCR-LLVKDONJSA-N 0 0 180.222 2.578 10 0 AFAERN CC(/C=C\c1ccc(C)cc1)=C/CO 308636628 573577191 /nfs/dbraw/zinc/57/71/91/573577191.db2.gz ZEVYZHCHCPIRSF-CVNCVQKXSA-N 0 0 188.270 2.947 10 0 AFAERN C[C@@H]1CC[C@@H]2CCC(=O)C[C@@H]2C1 238444784 573577206 /nfs/dbraw/zinc/57/72/06/573577206.db2.gz BHCWFANUVIWAAY-BBBLOLIVSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)C1=CC[C@](C)(CO)CC1 144319090 573577255 /nfs/dbraw/zinc/57/72/55/573577255.db2.gz XJNUQQVNAYFYDC-NSHDSACASA-N 0 0 168.280 2.751 10 0 AFAERN Cc1ccc(N)c(C)c1NC(C)C 86687770 573577265 /nfs/dbraw/zinc/57/72/65/573577265.db2.gz GFANPEULECWQBO-UHFFFAOYSA-N 0 0 178.279 2.706 10 0 AFAERN Cc1ccc(N)c([C@H](O)C(C)(C)C)c1 257833013 573577342 /nfs/dbraw/zinc/57/73/42/573577342.db2.gz JWSQAPLDKOYWJR-NSHDSACASA-N 0 0 193.290 2.657 10 0 AFAERN CC1=CC[C@@H]2C(=O)[C@H](C)CC[C@@H]2C1 238444623 573577384 /nfs/dbraw/zinc/57/73/84/573577384.db2.gz UOMUARXNRLKACB-MXWKQRLJSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)C1=C(Br)C1 95923529 573577433 /nfs/dbraw/zinc/57/74/33/573577433.db2.gz HRUMHBQTANBLMJ-UHFFFAOYSA-N 0 0 161.042 2.695 10 0 AFAERN FCCOc1ccc(OC2CC2)cc1 238683696 573577617 /nfs/dbraw/zinc/57/76/17/573577617.db2.gz DBLZDFRYLRJCIL-UHFFFAOYSA-N 0 0 196.221 2.576 10 0 AFAERN COc1ccc2c(c1)C(=O)[C@H](C)[C@@H]2C 86718056 573584410 /nfs/dbraw/zinc/58/44/10/573584410.db2.gz ZEBDRODJIZHRDQ-JGVFFNPUSA-N 0 0 190.242 2.631 10 0 AFAERN C[C@@H]1CCC=C1[C@H]1C(=O)CC1(C)C 238442435 573583646 /nfs/dbraw/zinc/58/36/46/573583646.db2.gz FAMASLMVGMCKAY-KCJUWKMLSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1CCC=C1CC(C)(C)CO 238442296 573583697 /nfs/dbraw/zinc/58/36/97/573583697.db2.gz HPFJBXPOFKQDMK-SECBINFHSA-N 0 0 168.280 2.751 10 0 AFAERN Cc1ccc2c(c1C)C[C@@H](C)C2=O 86717931 573583738 /nfs/dbraw/zinc/58/37/38/573583738.db2.gz LVUAWUPZTUDEAW-MRVPVSSYSA-N 0 0 174.243 2.678 10 0 AFAERN CCN(CCF)c1ccc(C)cc1 308403076 573583741 /nfs/dbraw/zinc/58/37/41/573583741.db2.gz IAKHSNBRLAVMDT-UHFFFAOYSA-N 0 0 181.254 2.791 10 0 AFAERN COC(=O)[C@H]1[C@@H](C2CCCC2)C1(C)C 259518286 573583792 /nfs/dbraw/zinc/58/37/92/573583792.db2.gz CVSHKAZJTGCIJH-NXEZZACHSA-N 0 0 196.290 2.622 10 0 AFAERN CC(=O)CC1=CCC[C@@H](C)C1 238441901 573583871 /nfs/dbraw/zinc/58/38/71/573583871.db2.gz AAZKFVOBGRAFLH-MRVPVSSYSA-N 0 0 152.237 2.712 10 0 AFAERN C/C=C\COc1c(C)cc(N)cc1C 308402675 573584000 /nfs/dbraw/zinc/58/40/00/573584000.db2.gz AJWCYYGEHHPWAW-PLNGDYQASA-N 0 0 191.274 2.841 10 0 AFAERN C[C@@H](Nc1ncns1)C1CCCC1 83669146 573584022 /nfs/dbraw/zinc/58/40/22/573584022.db2.gz LFJFHDVAKJXLAO-SSDOTTSWSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCC=C2CCC[C@@]21CCO 238442608 573584089 /nfs/dbraw/zinc/58/40/89/573584089.db2.gz DSZWJOGFNGYPEH-PWSUYJOCSA-N 0 0 180.291 2.895 10 0 AFAERN COC(=O)[C@H]1[C@H](C2CCCC2)C1(C)C 259518295 573584142 /nfs/dbraw/zinc/58/41/42/573584142.db2.gz CVSHKAZJTGCIJH-VHSXEESVSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@@H](O)[C@H](C)Nc1ccccc1C 144451388 573584172 /nfs/dbraw/zinc/58/41/72/573584172.db2.gz WWDGGOYLVUBHNH-CMPLNLGQSA-N 0 0 193.290 2.566 10 0 AFAERN C/C=C\CNc1ccccc1COC 308403239 573584196 /nfs/dbraw/zinc/58/41/96/573584196.db2.gz CVOSFAYPDSPUAZ-ARJAWSKDSA-N 0 0 191.274 2.821 10 0 AFAERN C[C@H]1C(=O)[C@@]2(C)C[C@@H]1C(C)(C)C2 238441803 573585788 /nfs/dbraw/zinc/58/57/88/573585788.db2.gz GSAZUFYLRBJJHH-FYBVGQRMSA-N 0 0 166.264 2.648 10 0 AFAERN CC/C=C(/C)C(=O)N(C)CCCC 308402171 573585840 /nfs/dbraw/zinc/58/58/40/573585840.db2.gz HOPODMKEBBSTHP-NTMALXAHSA-N 0 0 183.295 2.601 10 0 AFAERN COc1ccc2c(c1)C(=O)[C@@H](C)[C@H]2C 86718061 573585889 /nfs/dbraw/zinc/58/58/89/573585889.db2.gz ZEBDRODJIZHRDQ-SFYZADRCSA-N 0 0 190.242 2.631 10 0 AFAERN C[C@H]1C(=O)c2cccc3c2[C@@H]1CCC3 86717965 573585919 /nfs/dbraw/zinc/58/59/19/573585919.db2.gz YEXGPEALBWBNOD-PSASIEDQSA-N 0 0 186.254 2.939 10 0 AFAERN Cc1nc(CO)sc1C1CCCC1 258800936 573586001 /nfs/dbraw/zinc/58/60/01/573586001.db2.gz NIMOJQNXEZYBFX-UHFFFAOYSA-N 0 0 197.303 2.601 10 0 AFAERN CCCCC[C@@H](C)Nc1ncns1 83654330 573586151 /nfs/dbraw/zinc/58/61/51/573586151.db2.gz UJJRJPBWMMJDAM-MRVPVSSYSA-N 0 0 199.323 2.919 10 0 AFAERN Cc1coc2cc([C@@H](C)O)ccc12 258066628 573586164 /nfs/dbraw/zinc/58/61/64/573586164.db2.gz MBSBKICECYOYPC-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN Cc1coc2cc([C@H](C)O)ccc12 258066631 573586340 /nfs/dbraw/zinc/58/63/40/573586340.db2.gz MBSBKICECYOYPC-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN CNc1nc(CC2CCCC2)cs1 258800916 573586471 /nfs/dbraw/zinc/58/64/71/573586471.db2.gz NHVWYKQAVICETK-UHFFFAOYSA-N 0 0 196.319 2.918 10 0 AFAERN CC(=O)c1cc(C2CCCCC2)n[nH]1 257833723 573587334 /nfs/dbraw/zinc/58/73/34/573587334.db2.gz KDLMRONHWJCYKJ-UHFFFAOYSA-N 0 0 192.262 2.660 10 0 AFAERN CC1=C[C@H](C)[C@@H]2C(=O)CC[C@@]2(C)C1 238441841 573587361 /nfs/dbraw/zinc/58/73/61/573587361.db2.gz YVBIHYPZJMFNTQ-WCQGTBRESA-N 0 0 178.275 2.958 10 0 AFAERN Cc1nc(-c2cccc(F)c2)c(C)[nH]1 258797119 573587462 /nfs/dbraw/zinc/58/74/62/573587462.db2.gz WMWPZWFTBLXHRU-UHFFFAOYSA-N 0 0 190.221 2.833 10 0 AFAERN C/C=C\C[N@H+](C)Cc1occc1C 308404822 573587535 /nfs/dbraw/zinc/58/75/35/573587535.db2.gz KZAJUPZEUVHHNG-PLNGDYQASA-N 0 0 179.263 2.596 10 0 AFAERN O=C1CCC=CCCCCCC[C@@H]1O 308631167 573587539 /nfs/dbraw/zinc/58/75/39/573587539.db2.gz UXGKPZYVGWOOKJ-LBPRGKRZSA-N 0 0 196.290 2.607 10 0 AFAERN C[C@@H]1CCC=C1[C@@H]1C(=O)CC1(C)C 238442413 573587540 /nfs/dbraw/zinc/58/75/40/573587540.db2.gz FAMASLMVGMCKAY-LDYMZIIASA-N 0 0 178.275 2.958 10 0 AFAERN O=C1CCC=CCCCCCC[C@H]1O 308631166 573587782 /nfs/dbraw/zinc/58/77/82/573587782.db2.gz UXGKPZYVGWOOKJ-GFCCVEGCSA-N 0 0 196.290 2.607 10 0 AFAERN CCc1cccc2c1NCCCC2=O 82390850 573587831 /nfs/dbraw/zinc/58/78/31/573587831.db2.gz DFAGTQHBUFDEFP-UHFFFAOYSA-N 0 0 189.258 2.637 10 0 AFAERN CSC(=N)c1ccccc1F 258799954 573587863 /nfs/dbraw/zinc/58/78/63/573587863.db2.gz SJIYIEHUIQKWLY-UHFFFAOYSA-N 0 0 169.224 2.514 10 0 AFAERN C[C@@H]1c2ccc(F)cc2C(=O)[C@@H]1C 86718162 573587926 /nfs/dbraw/zinc/58/79/26/573587926.db2.gz VDRPABVFKLWRPU-NKWVEPMBSA-N 0 0 178.206 2.762 10 0 AFAERN CCc1sc(SC)cc1N 75490600 573587927 /nfs/dbraw/zinc/58/79/27/573587927.db2.gz MJCOSENQJFVVCJ-UHFFFAOYSA-N 0 0 173.306 2.615 10 0 AFAERN C[C@@H]1c2c(F)ccc(F)c2[C@H](O)[C@@H]1C 86721558 573587985 /nfs/dbraw/zinc/58/79/85/573587985.db2.gz WXGLICKLUXLNMG-WGDKSQQYSA-N 0 0 198.212 2.751 10 0 AFAERN Cc1ccc(C)c2c1C[C@@H](C)[C@@H]2O 86721778 573587994 /nfs/dbraw/zinc/58/79/94/573587994.db2.gz DNPADAPQONTTDY-SKDRFNHKSA-N 0 0 176.259 2.529 10 0 AFAERN CCCC1([C@H]([NH3+])C(F)F)CCC1 686125973 573587998 /nfs/dbraw/zinc/58/79/98/573587998.db2.gz HFJHLEUXZKPHMD-SSDOTTSWSA-N 0 0 177.238 2.549 10 0 AFAERN C[C@@H]1C(=O)c2cccc3c2[C@@H]1CC3 86718299 573588086 /nfs/dbraw/zinc/58/80/86/573588086.db2.gz PRSUUZOMGHNPHD-IONNQARKSA-N 0 0 172.227 2.549 10 0 AFAERN C[C@H](O)/C=C/C=C\c1ccc(F)cc1 308631614 573588105 /nfs/dbraw/zinc/58/81/05/573588105.db2.gz VBLMKPCHPFOXCP-AKTXEKDUSA-N 0 0 192.233 2.776 10 0 AFAERN Cc1cc(C)c2c(c1)C[C@H](C)[C@@H]2O 86721992 573588110 /nfs/dbraw/zinc/58/81/10/573588110.db2.gz QGWOFBVZWODEES-CABZTGNLSA-N 0 0 176.259 2.529 10 0 AFAERN Cc1ccc2c(c1)[C@H](O)[C@H](C)[C@@H]2C 86721648 573590972 /nfs/dbraw/zinc/59/09/72/573590972.db2.gz NBBXBTRXVNVXJC-YGOYTEALSA-N 0 0 176.259 2.782 10 0 AFAERN Cc1ccccc1OCc1cnco1 258063552 573590351 /nfs/dbraw/zinc/59/03/51/573590351.db2.gz GMMONNBHMZKEFF-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN Cc1ccc2c(c1C)C[C@@H](C)[C@@H]2O 86721471 573590390 /nfs/dbraw/zinc/59/03/90/573590390.db2.gz JCPUAFFRZGDQGQ-PELKAZGASA-N 0 0 176.259 2.529 10 0 AFAERN FC(F)(F)c1cc(Cl)ns1 107419042 573590393 /nfs/dbraw/zinc/59/03/93/573590393.db2.gz HTJAKNYRUZXASR-UHFFFAOYSA-N 0 0 187.573 2.815 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@H](C)[C@@H]2C 86718138 573590396 /nfs/dbraw/zinc/59/03/96/573590396.db2.gz JLGKKWLDFHDANZ-DTWKUNHWSA-N 0 0 174.243 2.931 10 0 AFAERN C[C@@H]1c2ccc(F)cc2[C@H](O)[C@@H]1C 86721685 573590405 /nfs/dbraw/zinc/59/04/05/573590405.db2.gz SVMOXXVHYMVWDV-MVKOHCKWSA-N 0 0 180.222 2.612 10 0 AFAERN C/C(=C\c1sccc1Cl)CO 394065293 573590442 /nfs/dbraw/zinc/59/04/42/573590442.db2.gz YQWBLIXNANDDNU-GQCTYLIASA-N 0 0 188.679 2.797 10 0 AFAERN c1ccc(COc2cnsc2)cc1 258409836 573590535 /nfs/dbraw/zinc/59/05/35/573590535.db2.gz ISHRGDGPZANRES-UHFFFAOYSA-N 0 0 191.255 2.722 10 0 AFAERN CCc1cccc2c1C[C@@H](C)C2=O 86718255 573590577 /nfs/dbraw/zinc/59/05/77/573590577.db2.gz UUPQZGSTJWIPRJ-MRVPVSSYSA-N 0 0 174.243 2.624 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@@H](C)[C@@H]2C 86718140 573590583 /nfs/dbraw/zinc/59/05/83/573590583.db2.gz JLGKKWLDFHDANZ-IUCAKERBSA-N 0 0 174.243 2.931 10 0 AFAERN C[C@@H]1c2c(F)cccc2[C@@H](O)[C@@H]1C 86721921 573590617 /nfs/dbraw/zinc/59/06/17/573590617.db2.gz BCMHBGVERIFOEC-CVJICSNFSA-N 0 0 180.222 2.612 10 0 AFAERN CSc1[nH]c(CC(C)(C)C)cc1N 75479105 573590663 /nfs/dbraw/zinc/59/06/63/573590663.db2.gz XIXXINXNHYDBCQ-UHFFFAOYSA-N 0 0 198.335 2.907 10 0 AFAERN C[C@H]1C=CC=C2CCCC(=O)[C@@]21C 238443269 573590673 /nfs/dbraw/zinc/59/06/73/573590673.db2.gz NKMFEZRHPFISKH-JOYOIKCWSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1ncc(COc2ccccc2)o1 258063417 573590678 /nfs/dbraw/zinc/59/06/78/573590678.db2.gz GJVDQAHHTZXNMI-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN CC(=C=C[Si](C)(C)C)[C@@H](C)[C@@H](C)O 238443584 573590688 /nfs/dbraw/zinc/59/06/88/573590688.db2.gz UUJSCPNYDDSAJE-ABCCIZJZSA-N 0 0 198.382 2.982 10 0 AFAERN C[C@H]1C[C@H](O)CCC(C)(C)C1 238443533 573590729 /nfs/dbraw/zinc/59/07/29/573590729.db2.gz NKZURVBGTSUXCY-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](O)[C@@H](C)C2 86721675 573590757 /nfs/dbraw/zinc/59/07/57/573590757.db2.gz GBSLOZAQFBFPAJ-JOYOIKCWSA-N 0 0 176.259 2.529 10 0 AFAERN Cc1ccc(C)c2c1C[C@@H](C)[C@H]2O 86721783 573590780 /nfs/dbraw/zinc/59/07/80/573590780.db2.gz DNPADAPQONTTDY-BXKDBHETSA-N 0 0 176.259 2.529 10 0 AFAERN OCC1(SC2CCCCC2)CC1 259117063 573590783 /nfs/dbraw/zinc/59/07/83/573590783.db2.gz BNTHWCWVUVIWJT-UHFFFAOYSA-N 0 0 186.320 2.577 10 0 AFAERN C/C=C/C[N@H+](C)Cc1occc1C 308404823 573590820 /nfs/dbraw/zinc/59/08/20/573590820.db2.gz KZAJUPZEUVHHNG-SNAWJCMRSA-N 0 0 179.263 2.596 10 0 AFAERN Cc1cccc2c1[C@H](C)[C@H](C)C2=O 86718097 573590864 /nfs/dbraw/zinc/59/08/64/573590864.db2.gz CKVMCRURJYINBG-BDAKNGLRSA-N 0 0 174.243 2.931 10 0 AFAERN CC1=C2C=C[C@H](C)[C@@H]2C(=O)CCC1 238443087 573590866 /nfs/dbraw/zinc/59/08/66/573590866.db2.gz DFWHRYMBGMLWEF-CABZTGNLSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](O)[C@H](C)C2 86721673 573590872 /nfs/dbraw/zinc/59/08/72/573590872.db2.gz GBSLOZAQFBFPAJ-SKDRFNHKSA-N 0 0 176.259 2.529 10 0 AFAERN C[C@@H]1c2ccccc2[C@H](CCO)[C@@H]1C 238443564 573590916 /nfs/dbraw/zinc/59/09/16/573590916.db2.gz GAZBZNDLLFKWHD-HOSYDEDBSA-N 0 0 190.286 2.906 10 0 AFAERN Cc1cccc2c1[C@@H](C)[C@@H](C)C2=O 86718103 573590918 /nfs/dbraw/zinc/59/09/18/573590918.db2.gz CKVMCRURJYINBG-DTWKUNHWSA-N 0 0 174.243 2.931 10 0 AFAERN C[C@@H]1CC[C@@H](CO)CC(C)(C)C1 238443140 573592130 /nfs/dbraw/zinc/59/21/30/573592130.db2.gz RVCASLADKQONTF-NXEZZACHSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)=C=CC=C=C[C@@H](C)[C@@H](C)O 238443727 573592136 /nfs/dbraw/zinc/59/21/36/573592136.db2.gz OZNBYIXXHUFGGL-VBPORKNPSA-N 0 0 178.275 2.836 10 0 AFAERN Cc1nc([C@@H](O)CCC(C)C)cs1 126626274 573592162 /nfs/dbraw/zinc/59/21/62/573592162.db2.gz DESCDRQZNDLRON-JTQLQIEISA-N 0 0 199.319 2.921 10 0 AFAERN CCC[C@H](C)Cn1ccc(=O)c(C)c1 308641261 573592198 /nfs/dbraw/zinc/59/21/98/573592198.db2.gz DEFOOYXDPUNMJD-JTQLQIEISA-N 0 0 193.290 2.593 10 0 AFAERN CC[C@H](O)c1cc(C)c(F)cc1F 86727855 573592399 /nfs/dbraw/zinc/59/23/99/573592399.db2.gz OSCMTOFVZPZRCH-JTQLQIEISA-N 0 0 186.201 2.717 10 0 AFAERN COC(=O)/C=C(/C)C1CCCCC1 83683483 573592409 /nfs/dbraw/zinc/59/24/09/573592409.db2.gz RJARUBCJJSVUBI-HJWRWDBZSA-N 0 0 182.263 2.686 10 0 AFAERN CC[Si](CC)(CC)c1ccc[nH]1 238275601 573592610 /nfs/dbraw/zinc/59/26/10/573592610.db2.gz KFBLFXOXNODYJR-UHFFFAOYSA-N 0 0 181.355 2.730 10 0 AFAERN CCOC(=O)N1CCCC(C)(C)CC1 83681335 573592620 /nfs/dbraw/zinc/59/26/20/573592620.db2.gz NKSGCUISDWFRGD-UHFFFAOYSA-N 0 0 199.294 2.655 10 0 AFAERN O=C1c2ccccc2SCC12CC2 107420506 573592621 /nfs/dbraw/zinc/59/26/21/573592621.db2.gz IUTOABUUDGTCOI-UHFFFAOYSA-N 0 0 190.267 2.755 10 0 AFAERN CS[C@H](C)Cc1cccc(O)c1 259521203 573592799 /nfs/dbraw/zinc/59/27/99/573592799.db2.gz AIGXXSFLOXZOIN-MRVPVSSYSA-N 0 0 182.288 2.686 10 0 AFAERN C[C@H]1CCC[C@@]12CCCC2=O 238455356 573592810 /nfs/dbraw/zinc/59/28/10/573592810.db2.gz KXNAUVMIQDMJNF-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@@H](CCO)O[C@H](C)c1ccccc1 308632388 573594013 /nfs/dbraw/zinc/59/40/13/573594013.db2.gz WCHILRPECNBAEV-WDEREUQCSA-N 0 0 194.274 2.535 10 0 AFAERN CC(=O)Nc1cccc2c1[C@@H](C)CC2 238456100 573594066 /nfs/dbraw/zinc/59/40/66/573594066.db2.gz XRLUHVPPQCWMEE-QMMMGPOBSA-N 0 0 189.258 2.695 10 0 AFAERN CC[C@@H](O)c1cc(C)c(F)cc1F 86727858 573594095 /nfs/dbraw/zinc/59/40/95/573594095.db2.gz OSCMTOFVZPZRCH-SNVBAGLBSA-N 0 0 186.201 2.717 10 0 AFAERN Cc1cc(C[C@H](C)[C@H](C)O)c(C)s1 238455901 573594121 /nfs/dbraw/zinc/59/41/21/573594121.db2.gz JKGYVYPAUPUNRL-CBAPKCEASA-N 0 0 198.331 2.924 10 0 AFAERN C/C=C/C=C\Cc1ccc(CO)cc1 308632815 573594179 /nfs/dbraw/zinc/59/41/79/573594179.db2.gz WKKXFJMRTLQPKQ-IAROGAJJSA-N 0 0 188.270 2.854 10 0 AFAERN CSCc1c[nH]c2cc(N)ccc12 258064177 573594191 /nfs/dbraw/zinc/59/41/91/573594191.db2.gz PDXUWVNBBSNNLU-UHFFFAOYSA-N 0 0 192.287 2.613 10 0 AFAERN C[C@H]1CCC[C@@]12CCC(=O)C2 238455321 573594254 /nfs/dbraw/zinc/59/42/54/573594254.db2.gz VIVCLVIANNVRPN-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cc2c(c(C)c1F)[C@@H](O)CCC2 83685760 573594283 /nfs/dbraw/zinc/59/42/83/573594283.db2.gz VHSJGINHKOJKDT-JTQLQIEISA-N 0 0 194.249 2.812 10 0 AFAERN Cc1ccc(O)c(CC(F)(F)F)c1 238456217 573594348 /nfs/dbraw/zinc/59/43/48/573594348.db2.gz WAEPXQBCOHKLQO-UHFFFAOYSA-N 0 0 190.164 2.805 10 0 AFAERN C[C@@H]1Cc2ccccc2[C@H](CCO)C1 238455908 573594371 /nfs/dbraw/zinc/59/43/71/573594371.db2.gz OIFVPAADJZLMRV-ZYHUDNBSSA-N 0 0 190.286 2.735 10 0 AFAERN C[C@H]1C[C@@H](C2=CCCCC2)C1=O 238455624 573594425 /nfs/dbraw/zinc/59/44/25/573594425.db2.gz KOBZWQIJYBEZME-WPRPVWTQSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=C(C)[C@@H](C)[C@@H](C)C(=O)C1 238455603 573594429 /nfs/dbraw/zinc/59/44/29/573594429.db2.gz BRENVDJRYXJNGL-RKDXNWHRSA-N 0 0 152.237 2.568 10 0 AFAERN C/C=C\CNc1cccc(COC)c1 308405477 573594478 /nfs/dbraw/zinc/59/44/78/573594478.db2.gz MCFWCKAWTPFJLW-ARJAWSKDSA-N 0 0 191.274 2.821 10 0 AFAERN C[C@@H]1CN[C@@H](c2ccccc2)C1(F)F 238455217 573594487 /nfs/dbraw/zinc/59/44/87/573594487.db2.gz PUMJNCGESJCMLQ-SCZZXKLOSA-N 0 0 197.228 2.602 10 0 AFAERN Cc1c(F)cc(F)c2c1[C@@H](O)CCC2 86723337 573594541 /nfs/dbraw/zinc/59/45/41/573594541.db2.gz CRSCIXJUWOVRMS-JTQLQIEISA-N 0 0 198.212 2.643 10 0 AFAERN CC(C)c1[nH]c(C=O)nc1C(C)(C)C 257833831 573594547 /nfs/dbraw/zinc/59/45/47/573594547.db2.gz KFXMIGQWLHSMQR-UHFFFAOYSA-N 0 0 194.278 2.643 10 0 AFAERN CCC[C@@H](O)c1ccc(Cl)cn1 83692788 573594598 /nfs/dbraw/zinc/59/45/98/573594598.db2.gz BLCDGRBBZXJPRU-SECBINFHSA-N 0 0 185.654 2.569 10 0 AFAERN CCCN(C)c1ccc(NC)cc1 259134559 573594613 /nfs/dbraw/zinc/59/46/13/573594613.db2.gz DGIXAGGRMTYYKF-UHFFFAOYSA-N 0 0 178.279 2.575 10 0 AFAERN Cc1ccc2sc(C)cc2n1 146482482 573598078 /nfs/dbraw/zinc/59/80/78/573598078.db2.gz OIDCTOINYWRMAT-UHFFFAOYSA-N 0 0 163.245 2.913 10 0 AFAERN CCCCn1cccc1CC[C@H](C)O 238276774 573598091 /nfs/dbraw/zinc/59/80/91/573598091.db2.gz ZWRYBGZFIPUIES-NSHDSACASA-N 0 0 195.306 2.602 10 0 AFAERN C[C@@H](C1CC1)[C@@H](O)CC1=CCCC1 400406712 573598127 /nfs/dbraw/zinc/59/81/27/573598127.db2.gz UHAIWOLGVYSISU-CABZTGNLSA-N 0 0 180.291 2.894 10 0 AFAERN C[C@@H]1CCCC(C)(C)[C@]1(C)CO 238445829 573598154 /nfs/dbraw/zinc/59/81/54/573598154.db2.gz YYYKKHQLNRYFLS-MWLCHTKSSA-N 0 0 170.296 2.831 10 0 AFAERN Cc1cccc2cccc(CCO)c12 238457593 573598348 /nfs/dbraw/zinc/59/83/48/573598348.db2.gz HUAHGCTWRDEDFF-UHFFFAOYSA-N 0 0 186.254 2.683 10 0 AFAERN C[C@]1(Cc2ccccc2)CCC[C@@H]1O 238456768 573598364 /nfs/dbraw/zinc/59/83/64/573598364.db2.gz DZMOMYKICZBTBE-QWHCGFSZSA-N 0 0 190.286 2.780 10 0 AFAERN Cc1ccc(C)c2c1NCCCCN2 238457057 573598387 /nfs/dbraw/zinc/59/83/87/573598387.db2.gz GMTJEWMVNNOLJS-UHFFFAOYSA-N 0 0 190.290 2.921 10 0 AFAERN C[C@@H]1CCC[C@H](C(=O)[C@@H]2CCCO2)C1 83710937 573598415 /nfs/dbraw/zinc/59/84/15/573598415.db2.gz QAUGPDSYFCBZKP-VWYCJHECSA-N 0 0 196.290 2.561 10 0 AFAERN CC(C)(c1cccc(O)c1)C(F)F 257835640 573598440 /nfs/dbraw/zinc/59/84/40/573598440.db2.gz KWJABELRSHQEAL-UHFFFAOYSA-N 0 0 186.201 2.935 10 0 AFAERN O[C@@H]1CC[C@H](CCC(F)(F)Cl)C1 402001773 573598572 /nfs/dbraw/zinc/59/85/72/573598572.db2.gz GFWUZMWUWOIQJU-RNFRBKRXSA-N 0 0 198.640 2.759 10 0 AFAERN Cc1ccc(C)c2c1C=C[C@@H](O)CC2 238456728 573598596 /nfs/dbraw/zinc/59/85/96/573598596.db2.gz XIBJYTGILQVAHL-LLVKDONJSA-N 0 0 188.270 2.624 10 0 AFAERN C[C@H]1C[C@]12C=CCC(C)(C)C2=O 238456877 573598609 /nfs/dbraw/zinc/59/86/09/573598609.db2.gz ALTSYIFRTOAFSB-GZMMTYOYSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)c1cscc1C=O 75525115 573598641 /nfs/dbraw/zinc/59/86/41/573598641.db2.gz VXDDTOGSSFQJFX-UHFFFAOYSA-N 0 0 154.234 2.684 10 0 AFAERN Cc1c(CO)ccc2ccsc12 238457041 573598720 /nfs/dbraw/zinc/59/87/20/573598720.db2.gz PQQKLPDHSXNFSF-UHFFFAOYSA-N 0 0 178.256 2.702 10 0 AFAERN C[NH2+]C(C)(C)Sc1cccs1 259140814 573601890 /nfs/dbraw/zinc/60/18/90/573601890.db2.gz DTWNRADZIJECEY-UHFFFAOYSA-N 0 0 187.333 2.796 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1ccc(F)nc1 686128612 573602000 /nfs/dbraw/zinc/60/20/00/573602000.db2.gz KEYMWWLXIQQXLE-GZMMTYOYSA-N 0 0 197.253 2.690 10 0 AFAERN CCNC1(C(F)(F)F)CCCCC1 78746474 573602022 /nfs/dbraw/zinc/60/20/22/573602022.db2.gz TYSVENHQWSXYNT-UHFFFAOYSA-N 0 0 195.228 2.861 10 0 AFAERN Cc1cccc(C)c1SC[C@H](C)O 238446015 573602377 /nfs/dbraw/zinc/60/23/77/573602377.db2.gz URVRDSLAGMNFJZ-JTQLQIEISA-N 0 0 196.315 2.776 10 0 AFAERN CC[C@@H](C)[C@H](CC1(C)CCCC1)NN 308649219 573602378 /nfs/dbraw/zinc/60/23/78/573602378.db2.gz JBCKOFFQMFHDSU-MNOVXSKESA-N 0 0 198.354 2.835 10 0 AFAERN C/C=C/C(=O)N[C@H]1CCCC[C@H]1CC 86740707 573602455 /nfs/dbraw/zinc/60/24/55/573602455.db2.gz NZVLXZJQEKLARA-JZAOELKXSA-N 0 0 195.306 2.648 10 0 AFAERN CC1=C[C@H]2[C@H](CC(=O)[C@@H]2C)C1(C)C 238446849 573602456 /nfs/dbraw/zinc/60/24/56/573602456.db2.gz DPUPDTCCMGZTMK-BBBLOLIVSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)=C1[C@H](C)[C@H]2CCC(=O)[C@@H]12 238447171 573602473 /nfs/dbraw/zinc/60/24/73/573602473.db2.gz JKBFUKBLJLKSHW-XLDPMVHQSA-N 0 0 164.248 2.568 10 0 AFAERN CCC[C@H](C)[C@H](O)c1ccc(F)nc1 686128616 573602523 /nfs/dbraw/zinc/60/25/23/573602523.db2.gz KEYMWWLXIQQXLE-KWQFWETISA-N 0 0 197.253 2.690 10 0 AFAERN C[C@@H]1[C@H]2CCC(=O)[C@H](C2)C1(C)C 238447150 573602577 /nfs/dbraw/zinc/60/25/77/573602577.db2.gz CIOOKFQPARNHNO-VGMNWLOBSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CCCC2=C1CCC[C@@H]2O 238447060 573602652 /nfs/dbraw/zinc/60/26/52/573602652.db2.gz PUJXWEDIINEOFV-KCJUWKMLSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H](O)c1cc2cccc(Cl)c2[nH]1 83724306 573606815 /nfs/dbraw/zinc/60/68/15/573606815.db2.gz XEFPTEOXTBZSJC-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN O=Cc1cnoc1C1CCCCC1 82397247 573606823 /nfs/dbraw/zinc/60/68/23/573606823.db2.gz VXXKZPVSDOHTJT-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN CC(C)=CCc1ccc(C=O)o1 75546185 573606860 /nfs/dbraw/zinc/60/68/60/573606860.db2.gz BGWVUMICSSRMHA-UHFFFAOYSA-N 0 0 164.204 2.601 10 0 AFAERN Cc1ccc(N)c2c1C=CCC2 75544088 573606867 /nfs/dbraw/zinc/60/68/67/573606867.db2.gz XMBNUYGGSSNFQD-UHFFFAOYSA-N 0 0 159.232 2.537 10 0 AFAERN Cc1cccc(N[C@H](C)C(C)(C)O)c1 83724640 573606942 /nfs/dbraw/zinc/60/69/42/573606942.db2.gz BAGPIXNSHGJFHW-SNVBAGLBSA-N 0 0 193.290 2.566 10 0 AFAERN Cc1cc(N)c(N2CCCCC2)s1 75548582 573607085 /nfs/dbraw/zinc/60/70/85/573607085.db2.gz IWXGVLODMNTMJP-UHFFFAOYSA-N 0 0 196.319 2.629 10 0 AFAERN C[C@@H](O)c1cc2cc(Cl)ccc2[nH]1 83724045 573607105 /nfs/dbraw/zinc/60/71/05/573607105.db2.gz LMPPAAJEINNFIO-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN Cc1cc(C)c2[nH]c([C@@H](C)O)cc2c1 83724336 573607116 /nfs/dbraw/zinc/60/71/16/573607116.db2.gz KJSCNAFIEYYBGA-SECBINFHSA-N 0 0 189.258 2.838 10 0 AFAERN OCc1ccccc1[C@@H]1CCC1(F)F 258071217 573607130 /nfs/dbraw/zinc/60/71/30/573607130.db2.gz LMBKQGBDDPMVLU-JTQLQIEISA-N 0 0 198.212 2.692 10 0 AFAERN C[C@H]1C(=O)CCC[C@H]2CCC[C@@H]21 238447525 573607153 /nfs/dbraw/zinc/60/71/53/573607153.db2.gz MXSWDVUDYSLPCI-OPRDCNLKSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc2[nH]c3c(c2c1)C(=O)CC3 83722974 573607212 /nfs/dbraw/zinc/60/72/12/573607212.db2.gz KYQBGXJVGRUSCU-UHFFFAOYSA-N 0 0 185.226 2.605 10 0 AFAERN Cc1ccc2[nH]c([C@@H](C)O)cc2c1 83724226 573607236 /nfs/dbraw/zinc/60/72/36/573607236.db2.gz DFNQSUCASKLQRE-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN Cc1cccc2c3c([nH]c12)CCC(=O)C3 83722916 573607277 /nfs/dbraw/zinc/60/72/77/573607277.db2.gz SYBHQYIPEGHRKO-UHFFFAOYSA-N 0 0 199.253 2.534 10 0 AFAERN Cc1[nH]c2c(F)cccc2c1[C@H](C)O 83724153 573607298 /nfs/dbraw/zinc/60/72/98/573607298.db2.gz GWXWUNQJQLCUKO-ZETCQYMHSA-N 0 0 193.221 2.669 10 0 AFAERN CCCC[C@@H](O)CC(=O)CC(C)C 142705183 573607362 /nfs/dbraw/zinc/60/73/62/573607362.db2.gz ANLXPTWYPLNHKX-SNVBAGLBSA-N 0 0 186.295 2.543 10 0 AFAERN Cc1cccc2cc([C@H](C)O)[nH]c12 83724014 573607387 /nfs/dbraw/zinc/60/73/87/573607387.db2.gz ORRYTNDBSWBYOC-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN Cc1ccc(C)c2[nH]c([C@H](C)O)cc12 83724263 573609802 /nfs/dbraw/zinc/60/98/02/573609802.db2.gz DSHVWVOXLWPTCY-VIFPVBQESA-N 0 0 189.258 2.838 10 0 AFAERN CC(C)N1C[C@H](C)Oc2ccccc21 259129117 573609840 /nfs/dbraw/zinc/60/98/40/573609840.db2.gz ALXVFFHMKSVIKN-JTQLQIEISA-N 0 0 191.274 2.682 10 0 AFAERN Cc1ccc(C(F)F)c(C)n1 238447557 573609954 /nfs/dbraw/zinc/60/99/54/573609954.db2.gz UGVLFXXFHMSBMQ-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN C[C@H]1CC[C@H]2C[C@@H]1[C@@H]1C(=O)C[C@]21C 238447751 573609961 /nfs/dbraw/zinc/60/99/61/573609961.db2.gz NOKBMIQCPKEBGR-WPCZNGEBSA-N 0 0 178.275 2.648 10 0 AFAERN CC[C@@H](O)C(F)(F)c1ccccc1 142756667 573609964 /nfs/dbraw/zinc/60/99/64/573609964.db2.gz RUTJIJABEYUZOX-SECBINFHSA-N 0 0 186.201 2.549 10 0 AFAERN CC(C)=Cc1ccccc1C=O 75544610 573609994 /nfs/dbraw/zinc/60/99/94/573609994.db2.gz FXWYIHZFBPNFDO-UHFFFAOYSA-N 0 0 160.216 2.922 10 0 AFAERN OCc1ccc([C@@H]2CCC[C@@H]2F)cc1 259528205 573610033 /nfs/dbraw/zinc/61/00/33/573610033.db2.gz AXQPCJLTQISQEB-RYUDHWBXSA-N 0 0 194.249 2.785 10 0 AFAERN CC1=CCc2c(C)ccc(O)c21 75544592 573610041 /nfs/dbraw/zinc/61/00/41/573610041.db2.gz JBIFBLMNXLAPSS-UHFFFAOYSA-N 0 0 160.216 2.660 10 0 AFAERN COCN(C)c1ccc(C)c(C)c1C 259128865 573610068 /nfs/dbraw/zinc/61/00/68/573610068.db2.gz QKHLWLLAHUGSTG-UHFFFAOYSA-N 0 0 193.290 2.652 10 0 AFAERN Cc1ccc(N[C@H](C)C(C)(C)O)cc1 83725260 573610129 /nfs/dbraw/zinc/61/01/29/573610129.db2.gz ODKNBAZLUYVBMD-SNVBAGLBSA-N 0 0 193.290 2.566 10 0 AFAERN CCOCc1c[nH]c2cc(F)ccc12 258067904 573610141 /nfs/dbraw/zinc/61/01/41/573610141.db2.gz PNQPPAJSZJDCJC-UHFFFAOYSA-N 0 0 193.221 2.844 10 0 AFAERN O=Cc1cc(N2CCCCC2)cs1 75548230 573610147 /nfs/dbraw/zinc/61/01/47/573610147.db2.gz NPGRPJIGKRFJCN-UHFFFAOYSA-N 0 0 195.287 2.551 10 0 AFAERN C=C/C=C/Cc1ccccc1N 75544094 573610168 /nfs/dbraw/zinc/61/01/68/573610168.db2.gz XGUUZBYWVSIDSG-ONEGZZNKSA-N 0 0 159.232 2.554 10 0 AFAERN O[C@H]1C=C(CCC(F)(F)Cl)CC1 402010516 573610180 /nfs/dbraw/zinc/61/01/80/573610180.db2.gz LKHQVSJNJUKIJL-SSDOTTSWSA-N 0 0 196.624 2.679 10 0 AFAERN Cc1cccc2c1[C@H](O)CC(C)(C)O2 238447488 573610228 /nfs/dbraw/zinc/61/02/28/573610228.db2.gz JRUFELHJOXQWSZ-SECBINFHSA-N 0 0 192.258 2.590 10 0 AFAERN Cc1cc(N)cc(C)c2cccc1-2 238447643 573610235 /nfs/dbraw/zinc/61/02/35/573610235.db2.gz ONHYDTMCQBPEKL-UHFFFAOYSA-N 0 0 171.243 2.990 10 0 AFAERN C[C@H](O)c1cc2cc(Cl)ccc2[nH]1 83724042 573610254 /nfs/dbraw/zinc/61/02/54/573610254.db2.gz LMPPAAJEINNFIO-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN Cc1cccc2c3c([nH]c12)CCC3=O 83722964 573610295 /nfs/dbraw/zinc/61/02/95/573610295.db2.gz HFONAJGPCRFLGT-UHFFFAOYSA-N 0 0 185.226 2.605 10 0 AFAERN CC(=O)CC1=CCCC[C@H]1C 238447707 573610301 /nfs/dbraw/zinc/61/03/01/573610301.db2.gz AGYYVWRTSIOESH-MRVPVSSYSA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)N1C[C@@H](C)Oc2ccccc21 259129119 573610313 /nfs/dbraw/zinc/61/03/13/573610313.db2.gz ALXVFFHMKSVIKN-SNVBAGLBSA-N 0 0 191.274 2.682 10 0 AFAERN Cc1cc(C)c2cc([C@H](C)O)[nH]c2c1 83724380 573610331 /nfs/dbraw/zinc/61/03/31/573610331.db2.gz CEMHEHVELSOLKO-VIFPVBQESA-N 0 0 189.258 2.838 10 0 AFAERN O=C(C1CCCCC1)[C@H]1CCCOC1 83720494 573610336 /nfs/dbraw/zinc/61/03/36/573610336.db2.gz OBTSYQZRCUUWLQ-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN C[Si](C)(C)[C@H](CO)C1CCCC1 238448691 573610392 /nfs/dbraw/zinc/61/03/92/573610392.db2.gz VOLVRCSSYQWNEI-SNVBAGLBSA-N 0 0 186.371 2.877 10 0 AFAERN COCc1c[nH]c2cc(Cl)ccc12 258068070 573610409 /nfs/dbraw/zinc/61/04/09/573610409.db2.gz PPYFSVXJLFDQGY-UHFFFAOYSA-N 0 0 195.649 2.968 10 0 AFAERN C[Si](C)(C)[C@@H]1C=C[C@@H]2C[C@@H](O)C[C@@H]21 238447324 573610416 /nfs/dbraw/zinc/61/04/16/573610416.db2.gz CLUGDCXFOCBUMA-CHWFTXMASA-N 0 0 196.366 2.652 10 0 AFAERN CCCOCc1cnc(Cl)s1 86777357 573611825 /nfs/dbraw/zinc/61/18/25/573611825.db2.gz KVVMXBNSHNQOKP-UHFFFAOYSA-N 0 0 191.683 2.723 10 0 AFAERN Cc1ccc(N[C@@H](C)C(C)(C)O)cc1 83725256 573611188 /nfs/dbraw/zinc/61/11/88/573611188.db2.gz ODKNBAZLUYVBMD-JTQLQIEISA-N 0 0 193.290 2.566 10 0 AFAERN Cc1cc(F)c(C(C)C)cc1CCO 258067467 573611240 /nfs/dbraw/zinc/61/12/40/573611240.db2.gz LZILUDLQLQWEEQ-UHFFFAOYSA-N 0 0 196.265 2.792 10 0 AFAERN CCN(C)c1cn(C)c2ccccc12 259128957 573611310 /nfs/dbraw/zinc/61/13/10/573611310.db2.gz QLZXWILHKMLNLW-UHFFFAOYSA-N 0 0 188.274 2.634 10 0 AFAERN CCSCc1cccc(O)c1 75557052 573611364 /nfs/dbraw/zinc/61/13/64/573611364.db2.gz ZUTUXZVAAKHBTK-UHFFFAOYSA-N 0 0 168.261 2.645 10 0 AFAERN COCc1c(C)[nH]c2c(C)cccc12 83728622 573611368 /nfs/dbraw/zinc/61/13/68/573611368.db2.gz LNSOICCDCIFSQF-UHFFFAOYSA-N 0 0 189.258 2.931 10 0 AFAERN Cc1cc(C)c2[nH]c([C@H](C)O)cc2c1 83724342 573611381 /nfs/dbraw/zinc/61/13/81/573611381.db2.gz KJSCNAFIEYYBGA-VIFPVBQESA-N 0 0 189.258 2.838 10 0 AFAERN COCc1cc(F)c(C)cc1Cl 259130243 573611422 /nfs/dbraw/zinc/61/14/22/573611422.db2.gz CKJIYNWVYHPKRG-UHFFFAOYSA-N 0 0 188.629 2.934 10 0 AFAERN Cc1cc2c(F)c(F)cc(F)c2[nH]1 83728570 573611429 /nfs/dbraw/zinc/61/14/29/573611429.db2.gz SJCQORXUJDMYHV-UHFFFAOYSA-N 0 0 185.148 2.894 10 0 AFAERN Cc1cccc(SC(C)(C)O)c1 259130543 573611835 /nfs/dbraw/zinc/61/18/35/573611835.db2.gz CUKIDJYFDKELAB-UHFFFAOYSA-N 0 0 182.288 2.816 10 0 AFAERN CCOc1cccc([C@H](C)C(C)=O)c1 258504159 573611552 /nfs/dbraw/zinc/61/15/52/573611552.db2.gz CIHBNBQRAKGQAH-SECBINFHSA-N 0 0 192.258 2.778 10 0 AFAERN COC(=O)CC[C@H]1CCC[C@H](C)C1 259527209 573611591 /nfs/dbraw/zinc/61/15/91/573611591.db2.gz DWTGHJUYLMQIPR-VHSXEESVSA-N 0 0 184.279 2.766 10 0 AFAERN COC(=O)CC[C@@H]1CCC[C@H](C)C1 259527208 573611598 /nfs/dbraw/zinc/61/15/98/573611598.db2.gz DWTGHJUYLMQIPR-UWVGGRQHSA-N 0 0 184.279 2.766 10 0 AFAERN CCCc1cn2c(Cl)cccc2n1 258069342 573611654 /nfs/dbraw/zinc/61/16/54/573611654.db2.gz VSTNVADWEACZPM-UHFFFAOYSA-N 0 0 194.665 2.940 10 0 AFAERN C[C@]1(C2CC2)CCCC(=O)C1 238448862 573611672 /nfs/dbraw/zinc/61/16/72/573611672.db2.gz PERLPZVAPDEHBC-JTQLQIEISA-N 0 0 152.237 2.546 10 0 AFAERN Cc1c(CCO)sc2ccccc12 238449150 573611714 /nfs/dbraw/zinc/61/17/14/573611714.db2.gz QNZZWEKTYNWTMO-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN Nc1ccc(-c2cscc2N)cc1 258067717 573611728 /nfs/dbraw/zinc/61/17/28/573611728.db2.gz GWPIXQJPFASPDM-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CCc1ccc(Cl)c(C)c1N 142772791 573611744 /nfs/dbraw/zinc/61/17/44/573611744.db2.gz KNRYCUZTMADLEW-UHFFFAOYSA-N 0 0 169.655 2.793 10 0 AFAERN O=C1CCOC[C@H]1CC1CCCCC1 236413941 573622986 /nfs/dbraw/zinc/62/29/86/573622986.db2.gz URNGXYSFCCQSRE-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN CC(C)=CC[C@H]1CC(=O)C[C@@H]1C 238452373 573622406 /nfs/dbraw/zinc/62/24/06/573622406.db2.gz ZJABCNKEACLUKC-UWVGGRQHSA-N 0 0 166.264 2.958 10 0 AFAERN Nc1cnc2c(c1)oc1ccccc12 107460703 573622474 /nfs/dbraw/zinc/62/24/74/573622474.db2.gz JAUWHZAIFFIBDF-UHFFFAOYSA-N 0 0 184.198 2.563 10 0 AFAERN CC12CC3CC(C)(CC(C1)C3=O)C2 142847784 573622543 /nfs/dbraw/zinc/62/25/43/573622543.db2.gz MGUXBQYXBAIDLD-UHFFFAOYSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@]1(CCO)CCCc2ccccc21 238452447 573622545 /nfs/dbraw/zinc/62/25/45/573622545.db2.gz CZTNVLSSSBQHAZ-CYBMUJFWSA-N 0 0 190.286 2.663 10 0 AFAERN Cc1ccc(C(C=O)=CN)cc1 238452250 573622567 /nfs/dbraw/zinc/62/25/67/573622567.db2.gz HCJGKWALUKXXSN-XRZHMTSOSA-N 0 0 161.204 2.543 10 0 AFAERN CC(C)=CC[C@@H]1CC(=O)C[C@@H]1C 238452906 573622613 /nfs/dbraw/zinc/62/26/13/573622613.db2.gz ZJABCNKEACLUKC-VHSXEESVSA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)c1cccc([C@@H]2C[C@H]2F)c1 259530857 573622702 /nfs/dbraw/zinc/62/27/02/573622702.db2.gz BCSDXRGOGSVUGS-WDEREUQCSA-N 0 0 178.206 2.715 10 0 AFAERN Cc1cncc(N)c1-c1ccccc1 107460765 573622741 /nfs/dbraw/zinc/62/27/41/573622741.db2.gz ODOIERUYYCDWRO-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN C[C@H]1CC(=O)CC[C@H]1C1(C)CC1 238451942 573622806 /nfs/dbraw/zinc/62/28/06/573622806.db2.gz KNVVJXHHYDGMFC-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN CSc1ccc2c(c1)N[C@H](C)C2 107459523 573622821 /nfs/dbraw/zinc/62/28/21/573622821.db2.gz ORIAKRJQIKHQOH-SSDOTTSWSA-N 0 0 179.288 2.765 10 0 AFAERN O=Cc1nocc1C1CCCCC1 257837859 573622825 /nfs/dbraw/zinc/62/28/25/573622825.db2.gz MRLFQWYQWOJBMQ-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN Cc1c(N)[nH]c2ccc(Cl)cc12 75570377 573622886 /nfs/dbraw/zinc/62/28/86/573622886.db2.gz DPANZMUXZUNTOO-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN CC1(C)CCC([C@@H](O)C2CC2)CC1 83778607 573629593 /nfs/dbraw/zinc/62/95/93/573629593.db2.gz YSWAFAFRVWUVPX-NSHDSACASA-N 0 0 182.307 2.974 10 0 AFAERN Cc1cc(N)c2c(N)c(C)ccc2c1 75577339 573628919 /nfs/dbraw/zinc/62/89/19/573628919.db2.gz QPHACYSGMZERMS-UHFFFAOYSA-N 0 0 186.258 2.621 10 0 AFAERN C[C@H]1C[C@H]2C[C@@H](CC1=O)C2(C)C 238453293 573628950 /nfs/dbraw/zinc/62/89/50/573628950.db2.gz UDWAYCNUKUCOPI-CIUDSAMLSA-N 0 0 166.264 2.648 10 0 AFAERN O=C(C1CCCCCC1)[C@@H]1CCOC1 83779119 573628970 /nfs/dbraw/zinc/62/89/70/573628970.db2.gz HLIVVFYQIVYOAC-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN C[C@H](O)c1coc(-c2ccccc2)c1 238452931 573628971 /nfs/dbraw/zinc/62/89/71/573628971.db2.gz SLFDADFDDXCMJE-VIFPVBQESA-N 0 0 188.226 3.000 10 0 AFAERN O[C@H](C1CCCCCC1)C1CC1 83779202 573629036 /nfs/dbraw/zinc/62/90/36/573629036.db2.gz SHDCEIZHEGJVHF-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN Nc1ccccc1[C@@H]1C[C@H]1C(F)F 259535395 573629038 /nfs/dbraw/zinc/62/90/38/573629038.db2.gz BJJJCKLPECXIFD-JGVFFNPUSA-N 0 0 183.201 2.637 10 0 AFAERN Nc1ccccc1[C@H]1C[C@@H]1C(F)F 259535397 573629068 /nfs/dbraw/zinc/62/90/68/573629068.db2.gz BJJJCKLPECXIFD-SFYZADRCSA-N 0 0 183.201 2.637 10 0 AFAERN Cc1cc2ccccc2nc1[C@H](C)O 238453477 573629096 /nfs/dbraw/zinc/62/90/96/573629096.db2.gz IXNPWGXACWGSGF-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN CNc1nc(C2CCCCCC2)no1 83779950 573629162 /nfs/dbraw/zinc/62/91/62/573629162.db2.gz MPWPAMANVSUNFD-UHFFFAOYSA-N 0 0 195.266 2.549 10 0 AFAERN CC1(C)CCC([C@H](O)C2CC2)CC1 83778606 573629187 /nfs/dbraw/zinc/62/91/87/573629187.db2.gz YSWAFAFRVWUVPX-LLVKDONJSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@H](O)C1CCC(C)(C)CC1 83778602 573629250 /nfs/dbraw/zinc/62/92/50/573629250.db2.gz KXRKSPOLUKAEBW-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(=O)n(C2CCCCC2)c1 96547471 573629251 /nfs/dbraw/zinc/62/92/51/573629251.db2.gz XRNSIZZDNBBZNM-UHFFFAOYSA-N 0 0 191.274 2.662 10 0 AFAERN CCCCCC(=O)OCC(C)(C)F 393543892 573629258 /nfs/dbraw/zinc/62/92/58/573629258.db2.gz AEWBXYGEWOQYIU-UHFFFAOYSA-N 0 0 190.258 2.858 10 0 AFAERN C[C@@H]1CC[C@@H](c2nc(C=O)cs2)C1 83782331 573629293 /nfs/dbraw/zinc/62/92/93/573629293.db2.gz AMNNKEAEBBSLNA-HTQZYQBOSA-N 0 0 195.287 2.859 10 0 AFAERN CC/C=C/C(=O)OCc1ccsc1 308409504 573629423 /nfs/dbraw/zinc/62/94/23/573629423.db2.gz LBQCRJHWEPUOJS-ONEGZZNKSA-N 0 0 196.271 2.758 10 0 AFAERN CC1=CCO[C@@H](c2ccccc2O)C1 75579716 573629429 /nfs/dbraw/zinc/62/94/29/573629429.db2.gz BWASEMGTMOHWAK-GFCCVEGCSA-N 0 0 190.242 2.800 10 0 AFAERN Cc1ccc(COCCF)c(C)c1 96542089 573629540 /nfs/dbraw/zinc/62/95/40/573629540.db2.gz IJHQFCNXGOKSSK-UHFFFAOYSA-N 0 0 182.238 2.790 10 0 AFAERN Cl/C=C\Sc1ccccn1 215541298 573629549 /nfs/dbraw/zinc/62/95/49/573629549.db2.gz VBPJRGCTNGMSJL-XQRVVYSFSA-N 0 0 171.652 2.884 10 0 AFAERN C=Cc1nc([C@@H]2CC[C@@H](C)C2)no1 83781215 573629554 /nfs/dbraw/zinc/62/95/54/573629554.db2.gz WBXPPLWGIYAWGU-HTQZYQBOSA-N 0 0 178.235 2.616 10 0 AFAERN C[C@H]1CC[C@@H](c2nc(C=O)cs2)C1 83782332 573628843 /nfs/dbraw/zinc/62/88/43/573628843.db2.gz AMNNKEAEBBSLNA-JGVFFNPUSA-N 0 0 195.287 2.859 10 0 AFAERN C[C@H]1CC[C@@H](c2noc(Cl)n2)C1 83789124 573632146 /nfs/dbraw/zinc/63/21/46/573632146.db2.gz INYXQWZWLGANRG-NTSWFWBYSA-N 0 0 186.642 2.627 10 0 AFAERN CCC[C@H](O)[C@@H]1CC[C@H](C)C1 83785480 573632154 /nfs/dbraw/zinc/63/21/54/573632154.db2.gz VJBXYRFYXJAJAT-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)c2cccnc2)C1 83784708 573632244 /nfs/dbraw/zinc/63/22/44/573632244.db2.gz RELGMIQPKIZEKC-VHSXEESVSA-N 0 0 189.258 2.701 10 0 AFAERN Cc1ccc(C)c2nc(Cl)ncc12 238459543 573632256 /nfs/dbraw/zinc/63/22/56/573632256.db2.gz HFXIJAOPCFDCNA-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN Cc1cc(O)c2c(c1C)[C@@H](C)CC2=O 238459214 573632327 /nfs/dbraw/zinc/63/23/27/573632327.db2.gz HXUPVTTUECYNOP-ZETCQYMHSA-N 0 0 190.242 2.699 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)c2ccoc2)C1 83784381 573632362 /nfs/dbraw/zinc/63/23/62/573632362.db2.gz VQPJUEWMGGVACD-RKDXNWHRSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)c2ccoc2)C1 83786360 573632439 /nfs/dbraw/zinc/63/24/39/573632439.db2.gz QLRCNKSRPMPULE-KKZNHRDASA-N 0 0 180.247 2.749 10 0 AFAERN C[C@@H]1C[C@H](O)C2=C1CCCCC2 238454522 573632532 /nfs/dbraw/zinc/63/25/32/573632532.db2.gz UGLDJFFIEFHHIQ-KCJUWKMLSA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)C(=O)[C@H]1CC[C@H](C)C1 83784189 573632571 /nfs/dbraw/zinc/63/25/71/573632571.db2.gz GEUINYLILIYHOG-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cscc1-c1onc(N)c1C 86826241 573632582 /nfs/dbraw/zinc/63/25/82/573632582.db2.gz VSRDOMYLOZJTBO-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CC(C)=C1C=C[C@H]2CC(=O)[C@@H](C)[C@@H]12 238454570 573632621 /nfs/dbraw/zinc/63/26/21/573632621.db2.gz CHXGOQMOMFYNGO-VDDIYKPWSA-N 0 0 176.259 2.734 10 0 AFAERN C[C@]12C(=O)C[C@H]1CC1=C2CCCC1 238459260 573632718 /nfs/dbraw/zinc/63/27/18/573632718.db2.gz OPEXNKZFXXFXEV-SKDRFNHKSA-N 0 0 176.259 2.856 10 0 AFAERN CC[C@@H]1CCC[C@H]([C@H](C)O)C1 83791233 573632720 /nfs/dbraw/zinc/63/27/20/573632720.db2.gz OXULJEUHOOOODE-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN C/C(=C/c1cc2ccccc2o1)CO 211977266 573632724 /nfs/dbraw/zinc/63/27/24/573632724.db2.gz BUDWOUBXXDJHBD-TWGQIWQCSA-N 0 0 188.226 2.828 10 0 AFAERN Cc1nc(N)cc([C@@H](C)C(C)(C)C)n1 75581489 573632729 /nfs/dbraw/zinc/63/27/29/573632729.db2.gz RQXKQNDKIADTQS-SSDOTTSWSA-N 0 0 193.294 2.517 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)CC2CC2)C1 83786418 573632776 /nfs/dbraw/zinc/63/27/76/573632776.db2.gz NLFGPXQRWXGVNI-DVVUODLYSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)c2ccco2)C1 83784968 573632799 /nfs/dbraw/zinc/63/27/99/573632799.db2.gz DSMWVTZYKWNYMB-RKDXNWHRSA-N 0 0 178.231 2.899 10 0 AFAERN Cc1ccc(O)c2c1CC[C@@H]2C 238454534 573632814 /nfs/dbraw/zinc/63/28/14/573632814.db2.gz HSACJQFBADWZCN-QMMMGPOBSA-N 0 0 162.232 2.750 10 0 AFAERN CCCC(=O)[C@H]1CC[C@H](C)C1 83784729 573632836 /nfs/dbraw/zinc/63/28/36/573632836.db2.gz OSVNCGPOUJCGMO-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cccnc1OC1CCCC1 238459954 573632850 /nfs/dbraw/zinc/63/28/50/573632850.db2.gz NUPWTFJULRWIHY-UHFFFAOYSA-N 0 0 177.247 2.711 10 0 AFAERN CC1=CC(C)(C)C[C@H](C)[C@H]1CO 238460218 573638068 /nfs/dbraw/zinc/63/80/68/573638068.db2.gz VWDFBZCSDANOMO-UWVGGRQHSA-N 0 0 168.280 2.607 10 0 AFAERN Cc1ncc(C(F)F)c(Cl)c1O 238461006 573638096 /nfs/dbraw/zinc/63/80/96/573638096.db2.gz LMLPCVFIUWXZJF-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1ncc(C(F)F)c(Cl)c1N 238460953 573638264 /nfs/dbraw/zinc/63/82/64/573638264.db2.gz QRQXGNICJILCIM-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC(=O)Cc1cc2c(C)cccc2o1 258074957 573638299 /nfs/dbraw/zinc/63/82/99/573638299.db2.gz HBVACHXDWMJBAV-UHFFFAOYSA-N 0 0 188.226 2.873 10 0 AFAERN Oc1ccccc1CC1CCC1 259538620 573638355 /nfs/dbraw/zinc/63/83/55/573638355.db2.gz BPYITIIVXSYVTK-UHFFFAOYSA-N 0 0 162.232 2.735 10 0 AFAERN CCC(=O)[C@@H]1CCc2ccccc2C1 83798752 573638362 /nfs/dbraw/zinc/63/83/62/573638362.db2.gz YHEXFBLJDBFUHV-GFCCVEGCSA-N 0 0 188.270 2.771 10 0 AFAERN CCC[C@H]1COc2ccc(F)cc2N1 259144860 573638401 /nfs/dbraw/zinc/63/84/01/573638401.db2.gz MNPIKMRMSBLVHF-VIFPVBQESA-N 0 0 195.237 2.799 10 0 AFAERN CC(C)[C@@H](O)[C@@H]1CCc2ccccc21 83800084 573638463 /nfs/dbraw/zinc/63/84/63/573638463.db2.gz PCHYISJONNONFL-CHWSQXEVSA-N 0 0 190.286 2.733 10 0 AFAERN CC[C@@H]1CC[C@H](C(=O)C2CC2)C1 83792938 573638475 /nfs/dbraw/zinc/63/84/75/573638475.db2.gz XWBQRULOMSBPFL-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN CO[C@@H]1CCC[C@H]1CC(=O)C(C)(C)C 308652052 573638500 /nfs/dbraw/zinc/63/85/00/573638500.db2.gz KTGQIMWWABFKCL-VHSXEESVSA-N 0 0 198.306 2.807 10 0 AFAERN O=C(C1CC1)[C@H]1CCc2ccccc21 83798556 573638546 /nfs/dbraw/zinc/63/85/46/573638546.db2.gz HJKUDMZDWHKEMY-LBPRGKRZSA-N 0 0 186.254 2.696 10 0 AFAERN CC(C)C(=O)C1Cc2ccccc2C1 83798521 573638584 /nfs/dbraw/zinc/63/85/84/573638584.db2.gz LUKPZWCPRWAHIP-UHFFFAOYSA-N 0 0 188.270 2.627 10 0 AFAERN CC(C)C(=O)[C@H]1CCc2ccccc21 83798637 573638606 /nfs/dbraw/zinc/63/86/06/573638606.db2.gz RGENGKVEHRNBIV-LBPRGKRZSA-N 0 0 188.270 2.942 10 0 AFAERN CC(C)(Cc1cccc(Cl)c1)ON 259541682 573638619 /nfs/dbraw/zinc/63/86/19/573638619.db2.gz VIRCXVAOMISLON-UHFFFAOYSA-N 0 0 199.681 2.551 10 0 AFAERN CCCSc1ccc(N)cc1OC 86829535 573638679 /nfs/dbraw/zinc/63/86/79/573638679.db2.gz VKZPPNACSAOCAT-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN CC[C@@H]1CC[C@@H]([C@H](O)C(C)C)C1 83799052 573638687 /nfs/dbraw/zinc/63/86/87/573638687.db2.gz UZLWOOZOVRADKP-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H](O)[C@H]1CCc2ccccc2C1 83800244 573638763 /nfs/dbraw/zinc/63/87/63/573638763.db2.gz BZONYBPOSSBOBU-QWHCGFSZSA-N 0 0 190.286 2.562 10 0 AFAERN CC(=O)c1ccccc1[C@@H]1CCCO1 257844937 573638807 /nfs/dbraw/zinc/63/88/07/573638807.db2.gz NIKXDEVEADZRCV-LBPRGKRZSA-N 0 0 190.242 2.741 10 0 AFAERN CO[C@H]1CCC[C@H]1CC(=O)C(C)(C)C 308652051 573638916 /nfs/dbraw/zinc/63/89/16/573638916.db2.gz KTGQIMWWABFKCL-UWVGGRQHSA-N 0 0 198.306 2.807 10 0 AFAERN CNSc1cc(C)c(C)cc1OC 259147389 573638938 /nfs/dbraw/zinc/63/89/38/573638938.db2.gz FHKZTMROKQZMNA-UHFFFAOYSA-N 0 0 197.303 2.539 10 0 AFAERN C[C@@H]1[C@H](O)CC[C@@H]2CCCC[C@H]21 238462005 573638975 /nfs/dbraw/zinc/63/89/75/573638975.db2.gz WCIXJLHATXCDLQ-XWLWVQCSSA-N 0 0 168.280 2.584 10 0 AFAERN CCC(=O)[C@@H]1CC[C@H](CC)C1 83793134 573638984 /nfs/dbraw/zinc/63/89/84/573638984.db2.gz DKKUKWACFVKORK-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H]1CC[C@@H]([C@H](O)C2CC2)C1 83799020 573638990 /nfs/dbraw/zinc/63/89/90/573638990.db2.gz HZNJEDKMUAUXKH-FBIMIBRVSA-N 0 0 168.280 2.584 10 0 AFAERN Clc1ccc(CC[C@H]2CO2)s1 107595980 573639030 /nfs/dbraw/zinc/63/90/30/573639030.db2.gz LAHGSFUEAWJWFR-LURJTMIESA-N 0 0 188.679 2.733 10 0 AFAERN CC(C)[C@H](O)[C@H]1CCc2ccccc21 83800087 573639106 /nfs/dbraw/zinc/63/91/06/573639106.db2.gz PCHYISJONNONFL-STQMWFEESA-N 0 0 190.286 2.733 10 0 AFAERN C[C@H]1c2ccccc2C=CC[C@H]1O 238461419 573639209 /nfs/dbraw/zinc/63/92/09/573639209.db2.gz NMJKDXOWVOCRFR-JOYOIKCWSA-N 0 0 174.243 2.568 10 0 AFAERN CO[C@H]1CCC[C@@H]1CC(=O)C(C)(C)C 308652053 573639253 /nfs/dbraw/zinc/63/92/53/573639253.db2.gz KTGQIMWWABFKCL-ZJUUUORDSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)[C@@H](O)[C@H]1CCc2ccccc21 83800090 573639270 /nfs/dbraw/zinc/63/92/70/573639270.db2.gz PCHYISJONNONFL-QWHCGFSZSA-N 0 0 190.286 2.733 10 0 AFAERN Cc1ccsc1[C@@H](C)CC(N)=S 107541654 573639305 /nfs/dbraw/zinc/63/93/05/573639305.db2.gz CVMFEQXSQLDTHW-ZETCQYMHSA-N 0 0 199.344 2.836 10 0 AFAERN CCC[C@H](C)/C(C)=C\CCO 215558899 573639334 /nfs/dbraw/zinc/63/93/34/573639334.db2.gz IYUDVVUVHQYWGZ-CBFJXKFUSA-N 0 0 156.269 2.751 10 0 AFAERN Cc1cc(O)c(N=O)c(C)c1C 238471027 573656261 /nfs/dbraw/zinc/65/62/61/573656261.db2.gz YNJWJWCAMTUXAN-UHFFFAOYSA-N 0 0 165.192 2.715 10 0 AFAERN Cc1ncc(CF)cc1C(F)F 238471174 573655573 /nfs/dbraw/zinc/65/55/73/573655573.db2.gz JLJFEBZQYNPFHS-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CCc1[nH]c(=O)[nH]c1C1CCCCC1 257841721 573655641 /nfs/dbraw/zinc/65/56/41/573655641.db2.gz MKMJJRSSSVIZQP-UHFFFAOYSA-N 0 0 194.278 2.725 10 0 AFAERN CC1=CC=C[C@@H]2[C@@H](C)CC(=O)[C@@]12C 238458988 573655713 /nfs/dbraw/zinc/65/57/13/573655713.db2.gz UDTMZUWTGIIMFK-XRNSZHNASA-N 0 0 176.259 2.734 10 0 AFAERN C=Cc1cccc2c1C[C@H](C)N2 238458873 573655746 /nfs/dbraw/zinc/65/57/46/573655746.db2.gz MOIUQLWYKYZLJH-QMMMGPOBSA-N 0 0 159.232 2.686 10 0 AFAERN CC(=O)CSc1ccc(F)c(C)c1 259152124 573655952 /nfs/dbraw/zinc/65/59/52/573655952.db2.gz FTYGRVTZLMKONR-UHFFFAOYSA-N 0 0 198.262 2.815 10 0 AFAERN Cc1cccc2[nH]cc(C(C)(C)O)c12 258083750 573655968 /nfs/dbraw/zinc/65/59/68/573655968.db2.gz HQQDRIIYGSSEQE-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN CC(=O)[C@@]1(Cl)CC=CC[C@@H]1C 238470974 573656028 /nfs/dbraw/zinc/65/60/28/573656028.db2.gz PVUWDSKGOAYBIS-IONNQARKSA-N 0 0 172.655 2.539 10 0 AFAERN C[C@H]1C(=O)C[C@H]1C[Si](C)(C)C 238458614 573656091 /nfs/dbraw/zinc/65/60/91/573656091.db2.gz XDFBDZASVTXFQQ-SFYZADRCSA-N 0 0 170.328 2.550 10 0 AFAERN O=Cc1ccc2oc(=S)oc2c1 198426092 573656407 /nfs/dbraw/zinc/65/64/07/573656407.db2.gz ODPJSNSWGNLXLK-UHFFFAOYSA-N 0 0 180.184 2.568 10 0 AFAERN C[C@@H](CO)c1cccc(Cl)c1F 258083455 573656421 /nfs/dbraw/zinc/65/64/21/573656421.db2.gz NLHIDKJNKLJQMW-LURJTMIESA-N 0 0 188.629 2.575 10 0 AFAERN Cc1cc([C@H](C)CO)ccc1Cl 258083437 573656503 /nfs/dbraw/zinc/65/65/03/573656503.db2.gz NKVXZBJIJJGTAF-MRVPVSSYSA-N 0 0 184.666 2.744 10 0 AFAERN CS[C@@H](C)Cc1ccccc1N 259543307 573656542 /nfs/dbraw/zinc/65/65/42/573656542.db2.gz BZKXIQCEAKCGFC-QMMMGPOBSA-N 0 0 181.304 2.563 10 0 AFAERN C[C@H]1CCc2[nH]c3ncccc3c2C1 238458068 573656582 /nfs/dbraw/zinc/65/65/82/573656582.db2.gz ZXBAMENHTIFONM-QMMMGPOBSA-N 0 0 186.258 2.688 10 0 AFAERN CCSCc1cncn1C(C)C 258083668 573656658 /nfs/dbraw/zinc/65/66/58/573656658.db2.gz HPJVBGYUNVFOAS-UHFFFAOYSA-N 0 0 184.308 2.717 10 0 AFAERN C[C@H]1CC[C@H]2C(=O)CC[C@@]23C[C@@]13C 238458520 573656823 /nfs/dbraw/zinc/65/68/23/573656823.db2.gz MQTMQMDMQVZWPD-FSZOTQKASA-N 0 0 178.275 2.792 10 0 AFAERN CCCc1cccc(C(F)(F)CN)c1 257841631 573656831 /nfs/dbraw/zinc/65/68/31/573656831.db2.gz OGOMHZHBVBYHOE-UHFFFAOYSA-N 0 0 199.244 2.690 10 0 AFAERN Cc1cccc2occ(C[C@H](C)O)c12 257841814 573656842 /nfs/dbraw/zinc/65/68/42/573656842.db2.gz CAJAVVOZTLMOGB-VIFPVBQESA-N 0 0 190.242 2.665 10 0 AFAERN C[C@H]1CC(=O)[C@H]1C1=CCCCC1 238458080 573656862 /nfs/dbraw/zinc/65/68/62/573656862.db2.gz QSRAUSOLKUHCAI-GZMMTYOYSA-N 0 0 164.248 2.712 10 0 AFAERN C/C=C/C(=O)NC1CCC(C)(C)CC1 83811198 573656959 /nfs/dbraw/zinc/65/69/59/573656959.db2.gz RJONXTVKGQPFCB-SNAWJCMRSA-N 0 0 195.306 2.648 10 0 AFAERN Cc1nccc2ccc(C3(O)CC3)cc12 258084428 573663536 /nfs/dbraw/zinc/66/35/36/573663536.db2.gz JEZLQZGQYMYILV-UHFFFAOYSA-N 0 0 199.253 2.525 10 0 AFAERN C[C@@H]1C[C@@H]2CCCC[C@@]2(C)C1=O 238472959 573663572 /nfs/dbraw/zinc/66/35/72/573663572.db2.gz RALAIKUTZXYGJZ-WCABBAIRSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)c1conc1Br 257844509 573663618 /nfs/dbraw/zinc/66/36/18/573663618.db2.gz PKAKFBNFKRFKCC-UHFFFAOYSA-N 0 0 190.040 2.561 10 0 AFAERN Cc1cccc2oc(C[C@@H](C)O)cc12 257844771 573663696 /nfs/dbraw/zinc/66/36/96/573663696.db2.gz CXJHZDBLJLEBOK-SECBINFHSA-N 0 0 190.242 2.665 10 0 AFAERN Cc1ccc(C(C)(C)C)cc1NCO 258862991 573663767 /nfs/dbraw/zinc/66/37/67/573663767.db2.gz FONBBKNKDQVXFA-UHFFFAOYSA-N 0 0 193.290 2.654 10 0 AFAERN c1cn2c3c(nc2s1)CCCCC3 107875910 573663787 /nfs/dbraw/zinc/66/37/87/573663787.db2.gz QYAKUCUASWQDDB-UHFFFAOYSA-N 0 0 192.287 2.665 10 0 AFAERN C[C@H]1CC[C@H](CNc2ccccc2)O1 83823792 573663801 /nfs/dbraw/zinc/66/38/01/573663801.db2.gz JFFOIJMSBUWYFT-CMPLNLGQSA-N 0 0 191.274 2.666 10 0 AFAERN C[C@@H]1CC[C@H](CNc2ccccc2)O1 83823791 573663868 /nfs/dbraw/zinc/66/38/68/573663868.db2.gz JFFOIJMSBUWYFT-ZYHUDNBSSA-N 0 0 191.274 2.666 10 0 AFAERN CC(C)Cc1ccccc1[C@H](F)CO 257844506 573663984 /nfs/dbraw/zinc/66/39/84/573663984.db2.gz PJNCPFOUKAKYIF-GFCCVEGCSA-N 0 0 196.265 2.888 10 0 AFAERN CCN1c2ccccc2NCC[C@@H]1C 83823893 573664015 /nfs/dbraw/zinc/66/40/15/573664015.db2.gz PTKUPLVFVWRLNX-JTQLQIEISA-N 0 0 190.290 2.717 10 0 AFAERN C[C@]12C[C@H]3CCC[C@@]31CCCC2=O 238474868 573668564 /nfs/dbraw/zinc/66/85/64/573668564.db2.gz SDVJGKNGLULAOL-YUSALJHKSA-N 0 0 178.275 2.936 10 0 AFAERN CCC(=O)[C@H]1CCCC1(C)C 86869225 573668671 /nfs/dbraw/zinc/66/86/71/573668671.db2.gz BFFJODOECLDLJB-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN FCCNc1ccc(Cl)cc1 83824376 573668744 /nfs/dbraw/zinc/66/87/44/573668744.db2.gz ILPJZMJYSOKDGT-UHFFFAOYSA-N 0 0 173.618 2.721 10 0 AFAERN Cc1ccn2c3c(nc2c1)CCCC3 107875673 573668768 /nfs/dbraw/zinc/66/87/68/573668768.db2.gz LFXSHUWFYSYLJQ-UHFFFAOYSA-N 0 0 186.258 2.522 10 0 AFAERN CC(C)Nc1cc(N)ccc1Cl 83824219 573668812 /nfs/dbraw/zinc/66/88/12/573668812.db2.gz UXCYYFUTTLOUMZ-UHFFFAOYSA-N 0 0 184.670 2.743 10 0 AFAERN C[C@@H]1CC(=O)[C@@]2(C)CC=CC[C@@H]2C1 238475171 573668867 /nfs/dbraw/zinc/66/88/67/573668867.db2.gz AIFVKHWSPOEFMQ-UMNHJUIQSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1c(Cl)ccnc1C(F)F 238474442 573668891 /nfs/dbraw/zinc/66/88/91/573668891.db2.gz MDGXGMTVPNLQMS-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN C[C@H]1C/C(=C/C2CCCCC2)C(=O)O1 144508166 573668896 /nfs/dbraw/zinc/66/88/96/573668896.db2.gz HJLVPHHUURFMLO-ANHFWZFOSA-N 0 0 194.274 2.829 10 0 AFAERN COC(=O)[C@@H]1C[C@@H]2CC[C@@H](C)C[C@@H]2C1 259617134 573668913 /nfs/dbraw/zinc/66/89/13/573668913.db2.gz NFGFBHHKRALWRO-LMLFDSFASA-N 0 0 196.290 2.622 10 0 AFAERN Cc1ccc2c(c1)C[C@H](C)CC(=O)N2 238474315 573668918 /nfs/dbraw/zinc/66/89/18/573668918.db2.gz RATUKDZBFNYEEG-VIFPVBQESA-N 0 0 189.258 2.516 10 0 AFAERN Cc1cccn2c3c(nc12)CCCC3 107875798 573668939 /nfs/dbraw/zinc/66/89/39/573668939.db2.gz KACWAMPOORJCBH-UHFFFAOYSA-N 0 0 186.258 2.522 10 0 AFAERN C[C@H](CO)c1c(F)ccc2ccoc12 258075680 573669079 /nfs/dbraw/zinc/66/90/79/573669079.db2.gz MPTMEXQFUNTHRQ-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN C[C@H](C1CCC(O)CC1)C(F)(F)F 144577681 573669111 /nfs/dbraw/zinc/66/91/11/573669111.db2.gz YNONGNPAPLPRSG-JECWYVHBSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H](CO)c1cccc(C[C@@H](C)F)c1 258075763 573669113 /nfs/dbraw/zinc/66/91/13/573669113.db2.gz MSZSTTLZIFALMG-NXEZZACHSA-N 0 0 196.265 2.683 10 0 AFAERN CC1(C)CCC[C@H]1n1cnnc1Cl 86877895 573669128 /nfs/dbraw/zinc/66/91/28/573669128.db2.gz DCCCOZDGWAENRR-SSDOTTSWSA-N 0 0 199.685 2.683 10 0 AFAERN CC(=O)c1ccccc1[C@@H]1C[C@H]1CF 259545898 573669166 /nfs/dbraw/zinc/66/91/66/573669166.db2.gz CDBCVECJKMUQRS-JOYOIKCWSA-N 0 0 192.233 2.962 10 0 AFAERN Cc1c[nH]c(Oc2ccccc2F)n1 257846705 573669195 /nfs/dbraw/zinc/66/91/95/573669195.db2.gz AMFHPLDKVIKQRX-UHFFFAOYSA-N 0 0 192.193 2.650 10 0 AFAERN CC[C@@H]1Cc2ccsc2C1=O 144510179 573669243 /nfs/dbraw/zinc/66/92/43/573669243.db2.gz HVFDFIUWSIWARD-ZCFIWIBFSA-N 0 0 166.245 2.513 10 0 AFAERN Cc1nc2sc(C)c(C)n2c1C 107877002 573669251 /nfs/dbraw/zinc/66/92/51/573669251.db2.gz CKVJTEPIYLCMTE-UHFFFAOYSA-N 0 0 180.276 2.629 10 0 AFAERN C[C@@H]1C(C(=O)c2ccccc2)[C@H]1C 238469015 573679351 /nfs/dbraw/zinc/67/93/51/573679351.db2.gz VTADLIHULRCSNR-IUCAKERBSA-N 0 0 174.243 2.771 10 0 AFAERN CCC(=O)c1cc(CC)ccc1F 107998310 573679366 /nfs/dbraw/zinc/67/93/66/573679366.db2.gz AZTJZUQUIZUZOV-UHFFFAOYSA-N 0 0 180.222 2.981 10 0 AFAERN C[C@@H]1C(=O)c2ccccc2C12CC2 238468942 573679368 /nfs/dbraw/zinc/67/93/68/573679368.db2.gz LGCQDQLIIGXDHB-MRVPVSSYSA-N 0 0 172.227 2.551 10 0 AFAERN CCOc1ccc(Cl)c(C(C)=O)c1 107996698 573679471 /nfs/dbraw/zinc/67/94/71/573679471.db2.gz NUAVLHTXNBINNU-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN C[C@@H]1C(=O)[C@]2(C)C[C@@H]2C=CC1(C)C 238468864 573679558 /nfs/dbraw/zinc/67/95/58/573679558.db2.gz YYTSRJDEQNKZDT-VDDIYKPWSA-N 0 0 178.275 2.814 10 0 AFAERN C[C@@H]1Cc2c(O)ccc(O)c2[C@@H](C)C1 238469860 573679576 /nfs/dbraw/zinc/67/95/76/573679576.db2.gz FPHHWJLGMVFZOF-YUMQZZPRSA-N 0 0 192.258 2.784 10 0 AFAERN CC(C)(C)C(=O)CC1CCC1 83840091 573679608 /nfs/dbraw/zinc/67/96/08/573679608.db2.gz NMIXJIWSRAZJSS-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1ccc(F)c(C(C)=O)c1 107998307 573679622 /nfs/dbraw/zinc/67/96/22/573679622.db2.gz YDAILSJSTOPPDX-UHFFFAOYSA-N 0 0 166.195 2.591 10 0 AFAERN Cc1cc(O)cc2c1[C@@H](C)C[C@H](C)O2 238469826 573679636 /nfs/dbraw/zinc/67/96/36/573679636.db2.gz BQFBMFYFHVTBBN-CBAPKCEASA-N 0 0 192.258 2.975 10 0 AFAERN CC(C)C[C@@H](O)CC1CCC1 83840526 573679746 /nfs/dbraw/zinc/67/97/46/573679746.db2.gz SYFMQPFBFJUWHS-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc(Cl)c(CC2(O)CC2)c1 258090615 573679833 /nfs/dbraw/zinc/67/98/33/573679833.db2.gz NWQMXTFQIUPCEP-UHFFFAOYSA-N 0 0 196.677 2.716 10 0 AFAERN Cc1ccnc(Cl)c1OC1CCC1 238469880 573679854 /nfs/dbraw/zinc/67/98/54/573679854.db2.gz DYPYQXXAENZLET-UHFFFAOYSA-N 0 0 197.665 2.975 10 0 AFAERN C[C@@](F)(c1ccc(O)cc1)C1CC1 259548876 573679860 /nfs/dbraw/zinc/67/98/60/573679860.db2.gz CLJQGXWFJSWITO-NSHDSACASA-N 0 0 180.222 2.987 10 0 AFAERN CC(C)Cc1noc(N)c1CC(C)C 43375944 573679878 /nfs/dbraw/zinc/67/98/78/573679878.db2.gz LJCMAPYXQQHUHK-UHFFFAOYSA-N 0 0 196.294 2.654 10 0 AFAERN CC[C@@H](C)[C@H](O)CC1CCC1 83840816 573679879 /nfs/dbraw/zinc/67/98/79/573679879.db2.gz UHIWOKDGFYIYOH-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC1=Nc2nc3ccccc3n2[C@@H]1C 238469207 573679907 /nfs/dbraw/zinc/67/99/07/573679907.db2.gz PFFVFJOUUMMMCU-MRVPVSSYSA-N 0 0 185.230 2.703 10 0 AFAERN Nc1ccc(OCC2CCC2)cc1F 83837889 573679986 /nfs/dbraw/zinc/67/99/86/573679986.db2.gz AEVWBUUHAXZJRK-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN C[C@@H]1C[C@]23CCC[C@@H]2CC[C@@H]3C1=O 238469214 573679987 /nfs/dbraw/zinc/67/99/87/573679987.db2.gz ANYIXRHGDAUBDW-DNRKLUKYSA-N 0 0 178.275 2.792 10 0 AFAERN CC/C(=C/CO)c1ccccc1C 259551812 573682045 /nfs/dbraw/zinc/68/20/45/573682045.db2.gz CQHNULDJQAQACU-FLIBITNWSA-N 0 0 176.259 2.781 10 0 AFAERN CSc1ccc(C)c(C[C@@H](C)O)c1 258093425 573682857 /nfs/dbraw/zinc/68/28/57/573682857.db2.gz OCIOCFBGUOSFNL-SECBINFHSA-N 0 0 196.315 2.640 10 0 AFAERN CC(=O)C[C@H]1C=CC=CC[C@@H]1C 238469522 573682105 /nfs/dbraw/zinc/68/21/05/573682105.db2.gz GRQHBSAQQFXKKO-GXSJLCMTSA-N 0 0 164.248 2.734 10 0 AFAERN CCCCC(=O)O[C@@H](C)C1CCC1 308420248 573682130 /nfs/dbraw/zinc/68/21/30/573682130.db2.gz OMSAMHSHEWTJFI-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN C/C=C\Cc1ccc([C@H](C)O)cc1 393548047 573682171 /nfs/dbraw/zinc/68/21/71/573682171.db2.gz QFMWSTSSKFAILZ-XOULXFPDSA-N 0 0 176.259 2.859 10 0 AFAERN CCSc1nc2c(N)cccc2o1 86896376 573682230 /nfs/dbraw/zinc/68/22/30/573682230.db2.gz BZHPGNUHRHCXOU-UHFFFAOYSA-N 0 0 194.259 2.522 10 0 AFAERN Cc1ccc(CF)nc1C(F)F 238469315 573682289 /nfs/dbraw/zinc/68/22/89/573682289.db2.gz AYFVLMJDLUVMLK-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN C[C@@H]1C(=O)[C@@]2(C)C[C@@H]2C=CC1(C)C 238468789 573682314 /nfs/dbraw/zinc/68/23/14/573682314.db2.gz YYTSRJDEQNKZDT-PTRXPTGYSA-N 0 0 178.275 2.814 10 0 AFAERN CCCC(=O)c1cc(C)ccc1N 107994842 573682320 /nfs/dbraw/zinc/68/23/20/573682320.db2.gz FQNBIBAQGOHEHU-UHFFFAOYSA-N 0 0 177.247 2.560 10 0 AFAERN C[C@@]12C[C@@H](CC3=C1CCCC3)C2=O 238469723 573682327 /nfs/dbraw/zinc/68/23/27/573682327.db2.gz LPBRLKLOVNRWEN-BXKDBHETSA-N 0 0 176.259 2.856 10 0 AFAERN CC(C)c1c(C=O)cnn1C(C)(C)C 257847240 573682351 /nfs/dbraw/zinc/68/23/51/573682351.db2.gz NYEJCDDNOUWVNH-UHFFFAOYSA-N 0 0 194.278 2.574 10 0 AFAERN C[C@H]1C[C@H](C)c2ccc(N)cc2N1 238469928 573682373 /nfs/dbraw/zinc/68/23/73/573682373.db2.gz RUKPQNOIHNBBKH-YUMQZZPRSA-N 0 0 176.263 2.576 10 0 AFAERN CC[C@@H](O)c1cc(Cl)ccc1F 107997634 573682390 /nfs/dbraw/zinc/68/23/90/573682390.db2.gz JXTUNYRKMYGTBO-SECBINFHSA-N 0 0 188.629 2.923 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)C[C@H](C)N2 238468840 573682394 /nfs/dbraw/zinc/68/23/94/573682394.db2.gz HGYUUQUQYMQKRM-UWVGGRQHSA-N 0 0 190.290 3.000 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)CC2CCC2)C1 83840918 573682458 /nfs/dbraw/zinc/68/24/58/573682458.db2.gz CSEMABCWSNLVAA-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccnc(Cl)c1C(F)F 238469561 573682472 /nfs/dbraw/zinc/68/24/72/573682472.db2.gz YAVCUHXJCAUTLK-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN CC(=O)c1cc(C)c(C)cc1F 107997072 573682514 /nfs/dbraw/zinc/68/25/14/573682514.db2.gz JFRCJUSDMZOXBD-UHFFFAOYSA-N 0 0 166.195 2.645 10 0 AFAERN COc1cccc(CC(C)(F)F)c1 258875498 573682550 /nfs/dbraw/zinc/68/25/50/573682550.db2.gz SFAIXILYCKUGPQ-UHFFFAOYSA-N 0 0 186.201 2.893 10 0 AFAERN CCC(CC)c1nnc(C(F)F)o1 308420928 573682589 /nfs/dbraw/zinc/68/25/89/573682589.db2.gz ORCMKHOFNRBKTL-UHFFFAOYSA-N 0 0 190.193 2.911 10 0 AFAERN C[C@H](CO)Cc1cccc(Cl)c1 78946238 573682615 /nfs/dbraw/zinc/68/26/15/573682615.db2.gz YCEYJEGBKGNECJ-QMMMGPOBSA-N 0 0 184.666 2.511 10 0 AFAERN C[C@H]1C[C@H](C)[C@H]2C(=O)CC[C@H]2C1 238469609 573682712 /nfs/dbraw/zinc/68/27/12/573682712.db2.gz MFDHTVFECGLTDO-FTYOSLGDSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccnc(Cl)c1NC(C)C 83852056 573682848 /nfs/dbraw/zinc/68/28/48/573682848.db2.gz CNTRYEOXLFVXPG-UHFFFAOYSA-N 0 0 184.670 2.864 10 0 AFAERN C[C@@H](CO)Cc1cccc(Cl)c1 78946240 573686127 /nfs/dbraw/zinc/68/61/27/573686127.db2.gz YCEYJEGBKGNECJ-MRVPVSSYSA-N 0 0 184.666 2.511 10 0 AFAERN O[C@H](CC1CCC1)c1ccoc1 83840830 573686209 /nfs/dbraw/zinc/68/62/09/573686209.db2.gz QQTMYWYIGLOKBX-SNVBAGLBSA-N 0 0 166.220 2.503 10 0 AFAERN CC(=O)[C@H](C)[C@@H]1CCOC2(CCC2)C1 86905651 573686231 /nfs/dbraw/zinc/68/62/31/573686231.db2.gz KTVYCCLQZCHULK-GXSJLCMTSA-N 0 0 196.290 2.561 10 0 AFAERN CC(=O)[C@H]1CCOC2(CCCCC2)C1 86909102 573686240 /nfs/dbraw/zinc/68/62/40/573686240.db2.gz MWLRHGGSMRAFFY-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN OC1(C2=CCCCC2)CCCC1 236478048 573686246 /nfs/dbraw/zinc/68/62/46/573686246.db2.gz ODVZODIRYGASIW-UHFFFAOYSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)[C@@H](C)Oc1ccccc1C=O 259617505 573686300 /nfs/dbraw/zinc/68/63/00/573686300.db2.gz QTVOLBGEJWBHTL-SNVBAGLBSA-N 0 0 192.258 2.922 10 0 AFAERN CCc1ccc(SCC(C)=O)cc1 259158061 573686395 /nfs/dbraw/zinc/68/63/95/573686395.db2.gz GLEVNAWWKCHRBW-UHFFFAOYSA-N 0 0 194.299 2.930 10 0 AFAERN C[C@@H]1C=C[C@@H]2CCC[C@@]23CC(=O)[C@@H]13 238470698 573686439 /nfs/dbraw/zinc/68/64/39/573686439.db2.gz HHRYEDBBDDOZEQ-RBLKWDMZSA-N 0 0 176.259 2.568 10 0 AFAERN CC(=O)C[C@H]1CCOC2(CCCC2)C1 86905467 573686470 /nfs/dbraw/zinc/68/64/70/573686470.db2.gz KFPZIPFUWCXUMH-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CCNc1cncc(N[C@H](C)CC)c1 122057575 573686522 /nfs/dbraw/zinc/68/65/22/573686522.db2.gz BMMBPXUDICPMEX-SECBINFHSA-N 0 0 193.294 2.724 10 0 AFAERN CCCC(=O)[C@@H]1CCOC2(CCC2)C1 86909116 573686528 /nfs/dbraw/zinc/68/65/28/573686528.db2.gz ZJQYBEUGAWCDFL-SNVBAGLBSA-N 0 0 196.290 2.705 10 0 AFAERN O[C@@H](CC1CCC1)c1ccoc1 83840831 573686546 /nfs/dbraw/zinc/68/65/46/573686546.db2.gz QQTMYWYIGLOKBX-JTQLQIEISA-N 0 0 166.220 2.503 10 0 AFAERN CCNc1cncc(N[C@@H](C)CC)c1 122057849 573686629 /nfs/dbraw/zinc/68/66/29/573686629.db2.gz BMMBPXUDICPMEX-VIFPVBQESA-N 0 0 193.294 2.724 10 0 AFAERN CC(C)C(=O)[C@H]1CCOC2(CCC2)C1 86908960 573686661 /nfs/dbraw/zinc/68/66/61/573686661.db2.gz RRZADXNGJNLDQK-JTQLQIEISA-N 0 0 196.290 2.561 10 0 AFAERN c1ccn([C@@H]2CCCSC2)c1 122026619 573686686 /nfs/dbraw/zinc/68/66/86/573686686.db2.gz PPIXHTTZTNZWGT-SECBINFHSA-N 0 0 167.277 2.556 10 0 AFAERN Cc1cc(N)ccc1NCCC1CC1 83893534 573696946 /nfs/dbraw/zinc/69/69/46/573696946.db2.gz DIZVHXWPOOSHHC-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN Cc1ncn(C[C@@H]2CC=CCC2)c1C 402312424 573697033 /nfs/dbraw/zinc/69/70/33/573697033.db2.gz CSVGBNHQFQZVLO-GFCCVEGCSA-N 0 0 190.290 2.856 10 0 AFAERN COc1cccc2c1SC[C@@H](C)N2 259167957 573697293 /nfs/dbraw/zinc/69/72/93/573697293.db2.gz ITZMYSKBILISMD-SSDOTTSWSA-N 0 0 195.287 2.601 10 0 AFAERN CCCC(C)(C)CC(=O)N(C)CC 393551547 573697330 /nfs/dbraw/zinc/69/73/30/573697330.db2.gz SMMAGGSFIVHOLI-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN C/C=C/C=C(\C)[C@@H]1CCC[C@H]1O 237998974 573697348 /nfs/dbraw/zinc/69/73/48/573697348.db2.gz HCZZQKWENPABTL-FWOHWWISSA-N 0 0 166.264 2.670 10 0 AFAERN CC[C@@H](C)N(C)c1cccc(NC)c1 259168387 573697433 /nfs/dbraw/zinc/69/74/33/573697433.db2.gz GOKNEPBLSMTKPN-SNVBAGLBSA-N 0 0 192.306 2.963 10 0 AFAERN Cc1cccc(-c2cocc2N)c1 258087435 573697449 /nfs/dbraw/zinc/69/74/49/573697449.db2.gz JGBOAGTZJYNCSY-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CCC1([C@H](O)CCC(F)(F)F)CC1 393551404 573697558 /nfs/dbraw/zinc/69/75/58/573697558.db2.gz RQLUDGMKSRXNCA-SSDOTTSWSA-N 0 0 196.212 2.880 10 0 AFAERN O[C@H](C1=CCCCCCC1)C(F)F 236512954 573697633 /nfs/dbraw/zinc/69/76/33/573697633.db2.gz UUEUCTQHTSICFN-SECBINFHSA-N 0 0 190.233 2.893 10 0 AFAERN Nc1cc(-c2cccc(O)c2)cs1 258087475 573697672 /nfs/dbraw/zinc/69/76/72/573697672.db2.gz JGPXQNAZDRHIHS-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN C[C@@H]1C[C@@]1(C)CNc1cccnc1F 714733135 573697681 /nfs/dbraw/zinc/69/76/81/573697681.db2.gz GOSHWPDUPSPQPQ-KCJUWKMLSA-N 0 0 194.253 2.679 10 0 AFAERN Cc1cc2c(F)c([C@H](C)O)ccc2[nH]1 258085674 573697719 /nfs/dbraw/zinc/69/77/19/573697719.db2.gz NPQQLTXPVBTONF-ZETCQYMHSA-N 0 0 193.221 2.669 10 0 AFAERN C[C@H]1CC[C@H]2CCCC[C@@H]2C1=O 197476790 573697756 /nfs/dbraw/zinc/69/77/56/573697756.db2.gz NVTZRZPOHXYPSP-AEJSXWLSSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1coc([C@H]2CCC[C@H](O)C2)c1 716108360 573697868 /nfs/dbraw/zinc/69/78/68/573697868.db2.gz YZACXAGHUHEBAH-UWVGGRQHSA-N 0 0 180.247 2.607 10 0 AFAERN C[C@@H](F)c1ccc(C2(O)CC2)cc1 258088375 573697941 /nfs/dbraw/zinc/69/79/41/573697941.db2.gz WNCYIXYVRYDWPG-MRVPVSSYSA-N 0 0 180.222 2.699 10 0 AFAERN Nc1cc(F)cc(NCCC2CC2)c1 83893517 573697943 /nfs/dbraw/zinc/69/79/43/573697943.db2.gz LZFFIPAVVOIQMZ-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN CC(C)C[C@@H](C)Nc1cncc(N)c1 122117523 573698027 /nfs/dbraw/zinc/69/80/27/573698027.db2.gz UBTRMJXVXSMWMT-SECBINFHSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@H](C)N(C)c1cccc(NC)c1 259168383 573698042 /nfs/dbraw/zinc/69/80/42/573698042.db2.gz GOKNEPBLSMTKPN-JTQLQIEISA-N 0 0 192.306 2.963 10 0 AFAERN O=C1CCSCCc2ccccc21 197477667 573698046 /nfs/dbraw/zinc/69/80/46/573698046.db2.gz IAJMTSPVPAGYNY-UHFFFAOYSA-N 0 0 192.283 2.549 10 0 AFAERN Cc1csc(NCCC2CC2)n1 83911055 573698151 /nfs/dbraw/zinc/69/81/51/573698151.db2.gz ZNMCMCFDLDEWRY-UHFFFAOYSA-N 0 0 182.292 2.664 10 0 AFAERN C/C=C/C1=CCCCC[C@H](O)C1 237997780 573698161 /nfs/dbraw/zinc/69/81/61/573698161.db2.gz GSPJBFDXGRYKPY-KXUALACASA-N 0 0 166.264 2.814 10 0 AFAERN Cc1ncc(O)c(C(F)F)c1Cl 238483300 573698170 /nfs/dbraw/zinc/69/81/70/573698170.db2.gz MCLLLIKOMVDPPA-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1cc(C(C)(C)C)ccc1NCO 258885674 573698188 /nfs/dbraw/zinc/69/81/88/573698188.db2.gz IMABNEQKBALQGJ-UHFFFAOYSA-N 0 0 193.290 2.654 10 0 AFAERN CCc1ccc(N(C)C)c(C(C)=O)c1 259557784 573698211 /nfs/dbraw/zinc/69/82/11/573698211.db2.gz WHRLHYRGNQXLQJ-UHFFFAOYSA-N 0 0 191.274 2.518 10 0 AFAERN Cc1cc2cccc([C@@H](C)O)c2o1 258086482 573698235 /nfs/dbraw/zinc/69/82/35/573698235.db2.gz NCUWIHPXVVQSBP-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN COc1cccc2c1SC[C@H](C)N2 259167961 573698274 /nfs/dbraw/zinc/69/82/74/573698274.db2.gz ITZMYSKBILISMD-ZETCQYMHSA-N 0 0 195.287 2.601 10 0 AFAERN C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1=O 197476764 573698311 /nfs/dbraw/zinc/69/83/11/573698311.db2.gz NVTZRZPOHXYPSP-UTLUCORTSA-N 0 0 166.264 2.792 10 0 AFAERN c1ccc2c(c1)ON1CCCC[C@@H]21 237995307 573698500 /nfs/dbraw/zinc/69/85/00/573698500.db2.gz QGSSFRMNUZSZEK-JTQLQIEISA-N 0 0 175.231 2.521 10 0 AFAERN Cc1coc([C@@H]2CCC[C@H](O)C2)c1 716108365 573698509 /nfs/dbraw/zinc/69/85/09/573698509.db2.gz YZACXAGHUHEBAH-ZJUUUORDSA-N 0 0 180.247 2.607 10 0 AFAERN Cc1ccc([C@@H](O)[Si](C)(C)C)cc1 238482080 573698568 /nfs/dbraw/zinc/69/85/68/573698568.db2.gz FQHLIDUUSZWNKZ-NSHDSACASA-N 0 0 194.350 2.906 10 0 AFAERN CCC(=O)[C@@H]1CC(C)(C)OC1(C)C 86928266 573698585 /nfs/dbraw/zinc/69/85/85/573698585.db2.gz ZYOYFIJXZKZPAK-QMMMGPOBSA-N 0 0 184.279 2.559 10 0 AFAERN Cc1cc2cc(CCCO)ccc2o1 258088144 573698667 /nfs/dbraw/zinc/69/86/67/573698667.db2.gz NUHJSULLBONMIQ-UHFFFAOYSA-N 0 0 190.242 2.666 10 0 AFAERN C[C@H]1CCC=C1[C@@H]1C(=O)CC1(C)C 238482487 573698678 /nfs/dbraw/zinc/69/86/78/573698678.db2.gz FAMASLMVGMCKAY-GZMMTYOYSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@H]1CCC=C2CCC[C@@]21CCO 238482744 573698736 /nfs/dbraw/zinc/69/87/36/573698736.db2.gz DSZWJOGFNGYPEH-JQWIXIFHSA-N 0 0 180.291 2.895 10 0 AFAERN CN(C#N)c1ccccc1C(C)(C)C 259168307 573698752 /nfs/dbraw/zinc/69/87/52/573698752.db2.gz GNRAOXHRVNNQRY-UHFFFAOYSA-N 0 0 188.274 2.901 10 0 AFAERN Brc1cc2ccccn2c1 237996957 573698804 /nfs/dbraw/zinc/69/88/04/573698804.db2.gz CCCWKEBODXSLPH-UHFFFAOYSA-N 0 0 196.047 2.702 10 0 AFAERN CCc1cc(C)c(C)c(C[C@@H](C)O)c1 258088179 573698861 /nfs/dbraw/zinc/69/88/61/573698861.db2.gz NUWMNJQQCTWPME-SNVBAGLBSA-N 0 0 192.302 2.789 10 0 AFAERN CONCc1cc(C(C)C)ccc1F 258088140 573698918 /nfs/dbraw/zinc/69/89/18/573698918.db2.gz NUEUHJYYRROVCT-UHFFFAOYSA-N 0 0 197.253 2.600 10 0 AFAERN Cc1cc2c(s1)C[C@H](C)C[C@@H]2O 238483267 573698981 /nfs/dbraw/zinc/69/89/81/573698981.db2.gz YGCCGIATXQFZHH-MUWHJKNJSA-N 0 0 182.288 2.672 10 0 AFAERN Cc1[nH]c2cc(N)ccc2c1C1CC1 238483312 573699040 /nfs/dbraw/zinc/69/90/40/573699040.db2.gz VURARKULPKSYLD-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN C[C@H](O)[C@H](C)c1c[nH]c2ccccc12 238483214 573699051 /nfs/dbraw/zinc/69/90/51/573699051.db2.gz BAYRZSDJTJCCFH-IUCAKERBSA-N 0 0 189.258 2.652 10 0 AFAERN CC(C)=C[C@@]1(O)CC(C)(C)OC1(C)C 86928156 573699068 /nfs/dbraw/zinc/69/90/68/573699068.db2.gz LPEAZOCTXMCPLN-GFCCVEGCSA-N 0 0 198.306 2.661 10 0 AFAERN C[C@H]1C[C@@]1(C)CNc1cccnc1F 714733139 573699128 /nfs/dbraw/zinc/69/91/28/573699128.db2.gz GOSHWPDUPSPQPQ-KWQFWETISA-N 0 0 194.253 2.679 10 0 AFAERN CSCc1c[nH]c2c(N)cccc12 257848502 573699147 /nfs/dbraw/zinc/69/91/47/573699147.db2.gz AZIMVUPURITWKE-UHFFFAOYSA-N 0 0 192.287 2.613 10 0 AFAERN CC1(C)C(=O)C[C@@]2(C)CC[C@@H]1C2 224567579 573706607 /nfs/dbraw/zinc/70/66/07/573706607.db2.gz SWFOHMKAAWLAAI-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc(O)c2c1[C@@H](C)CCC2=O 238477682 573706687 /nfs/dbraw/zinc/70/66/87/573706687.db2.gz JDQZFFWULZYOIR-QMMMGPOBSA-N 0 0 190.242 2.781 10 0 AFAERN Cc1cc(C[C@@H](O)CC2CC2)cs1 393553753 573706724 /nfs/dbraw/zinc/70/67/24/573706724.db2.gz HYFMJLTUDGNJMI-NSHDSACASA-N 0 0 196.315 2.760 10 0 AFAERN Cc1[nH]c2ccccc2c1C(C)(C)O 238485552 573706765 /nfs/dbraw/zinc/70/67/65/573706765.db2.gz FTBXGNGFQWCNDB-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN Cc1ncc(F)c(F)c1C(F)F 238477286 573706799 /nfs/dbraw/zinc/70/67/99/573706799.db2.gz RTTBWCAIEQMIRE-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN O[C@@H](c1ccoc1)c1ccoc1Cl 236540161 573706805 /nfs/dbraw/zinc/70/68/05/573706805.db2.gz UYVRQSBNTIZKCF-QMMMGPOBSA-N 0 0 198.605 2.608 10 0 AFAERN C[C@@H](c1ccccc1)c1cn[nH]c1 75841679 573706807 /nfs/dbraw/zinc/70/68/07/573706807.db2.gz QNITZIYDCJMPSE-VIFPVBQESA-N 0 0 172.231 2.562 10 0 AFAERN Cc1sc2c(Cl)ncnc2c1C 108248379 573706879 /nfs/dbraw/zinc/70/68/79/573706879.db2.gz AJVGNANLZGMYBV-UHFFFAOYSA-N 0 0 198.678 2.962 10 0 AFAERN Cc1ccc2c(c1)C[C@@H](C)CC(=O)N2 238477623 573706884 /nfs/dbraw/zinc/70/68/84/573706884.db2.gz RATUKDZBFNYEEG-SECBINFHSA-N 0 0 189.258 2.516 10 0 AFAERN CC1=CC[C@@H]2C(=O)CC[C@H](C)[C@@H]2C1 238477332 573706933 /nfs/dbraw/zinc/70/69/33/573706933.db2.gz LSNAFCUXOTXROM-DCAQKATOSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H](c1ccncc1)C(F)(F)F 75839431 573706943 /nfs/dbraw/zinc/70/69/43/573706943.db2.gz KJCNCKIJIVGDQR-LURJTMIESA-N 0 0 175.153 2.747 10 0 AFAERN O[C@@H](c1ccco1)c1ccc(Cl)o1 236535375 573706948 /nfs/dbraw/zinc/70/69/48/573706948.db2.gz DETOCVUTSJCAPX-VIFPVBQESA-N 0 0 198.605 2.608 10 0 AFAERN C[C@@H](O)/C=C1/[C@@H]2CC[C@@H](C2)C1(C)C 238477551 573706957 /nfs/dbraw/zinc/70/69/57/573706957.db2.gz WPQOCZORIIMWBW-WXQSXMQSSA-N 0 0 180.291 2.750 10 0 AFAERN CC[C@@H](OC)C(=O)CC1(C)CCCC1 308689605 573706965 /nfs/dbraw/zinc/70/69/65/573706965.db2.gz QYIFLYYDRGWSMI-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN O[C@@H](c1ccco1)c1ccoc1Cl 236535524 573706978 /nfs/dbraw/zinc/70/69/78/573706978.db2.gz JOKWSECVVWZSEU-MRVPVSSYSA-N 0 0 198.605 2.608 10 0 AFAERN Cc1cc(O)cc2c1[C@@H](C)CCC2=O 238477754 573706979 /nfs/dbraw/zinc/70/69/79/573706979.db2.gz VNVQMJVHRNAEOU-ZETCQYMHSA-N 0 0 190.242 2.781 10 0 AFAERN C[C@H](c1ccncc1)C(F)(F)F 75839433 573707000 /nfs/dbraw/zinc/70/70/00/573707000.db2.gz KJCNCKIJIVGDQR-ZCFIWIBFSA-N 0 0 175.153 2.747 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)C[C@@H](C)N2 238477787 573707064 /nfs/dbraw/zinc/70/70/64/573707064.db2.gz HGYUUQUQYMQKRM-ZJUUUORDSA-N 0 0 190.290 3.000 10 0 AFAERN OCC[C@@H](F)c1ccccc1Cl 257849763 573707068 /nfs/dbraw/zinc/70/70/68/573707068.db2.gz OMULFSLRJIMWPM-SECBINFHSA-N 0 0 188.629 2.733 10 0 AFAERN CC(C)Sc1nc(N)cn1C(C)C 257849490 573707081 /nfs/dbraw/zinc/70/70/81/573707081.db2.gz BFDJYIKPPXLYQF-UHFFFAOYSA-N 0 0 199.323 2.547 10 0 AFAERN Cc1[nH]c2c(c1C)CCCCC2 238477237 573707108 /nfs/dbraw/zinc/70/71/08/573707108.db2.gz HGSPVEAZDWHINW-UHFFFAOYSA-N 0 0 163.264 2.900 10 0 AFAERN Cc1[nH]c2c(c1C)C(=O)CCCC2 238477205 573707142 /nfs/dbraw/zinc/70/71/42/573707142.db2.gz PWBWHXAKJLVXMZ-UHFFFAOYSA-N 0 0 177.247 2.541 10 0 AFAERN C/C=C/C[C@@H](O)c1ccccc1C 238017756 573707154 /nfs/dbraw/zinc/70/71/54/573707154.db2.gz OHQHNNKINDVTFF-AAOUONPWSA-N 0 0 176.259 2.995 10 0 AFAERN c1ccc(Cc2cncs2)cc1 108235315 573707155 /nfs/dbraw/zinc/70/71/55/573707155.db2.gz JRXCZLQOJDMBKB-UHFFFAOYSA-N 0 0 175.256 2.734 10 0 AFAERN C(=C1\CCCCCN1)\c1ccccn1 238015900 573707185 /nfs/dbraw/zinc/70/71/85/573707185.db2.gz ZSIQIECFXDWBCP-ZHACJKMWSA-N 0 0 188.274 2.586 10 0 AFAERN c1ccc(NC[C@@H]2C[C@@H]3C[C@@H]32)cc1 238017298 573707201 /nfs/dbraw/zinc/70/72/01/573707201.db2.gz DGRXWRQZIHMIFS-SCVCMEIPSA-N 0 0 173.259 2.755 10 0 AFAERN Cc1c(C(F)F)cc(N)nc1Cl 238477528 573707217 /nfs/dbraw/zinc/70/72/17/573707217.db2.gz DLITWJIQIIWMJX-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1coc(C2CCCC2)n1 75840985 573707271 /nfs/dbraw/zinc/70/72/71/573707271.db2.gz GAXAJZAFSZBQPT-UHFFFAOYSA-N 0 0 151.209 2.641 10 0 AFAERN O[C@@H]1CCCC[C@H]1C/C=C/Cl 236536080 573707273 /nfs/dbraw/zinc/70/72/73/573707273.db2.gz FXYQKKLIYQPQJI-GPEYXKODSA-N 0 0 174.671 2.680 10 0 AFAERN CC[C@H]1CCc2c(O)cccc2C1=O 197517767 573712324 /nfs/dbraw/zinc/71/23/24/573712324.db2.gz XBEXXKGEVYNVED-QMMMGPOBSA-N 0 0 190.242 2.547 10 0 AFAERN OC1(c2ccsc2)CCCC1 75846613 573712326 /nfs/dbraw/zinc/71/23/26/573712326.db2.gz OSHCFJZAULEWIN-UHFFFAOYSA-N 0 0 168.261 2.510 10 0 AFAERN C/C=C/CC[C@@H]1[C@H]2C(=O)CC[C@@]12C 238011890 573711440 /nfs/dbraw/zinc/71/14/40/573711440.db2.gz UFCGTLOQCKMYRD-OZGGLBAMSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1nc(C2(O)CCCC2)sc1C 75846719 573711508 /nfs/dbraw/zinc/71/15/08/573711508.db2.gz RIXDHKHTBZWYEW-UHFFFAOYSA-N 0 0 197.303 2.522 10 0 AFAERN COc1csc(C(=O)C2CCC2)c1 122187864 573711626 /nfs/dbraw/zinc/71/16/26/573711626.db2.gz XCFXJAONCZEVAR-UHFFFAOYSA-N 0 0 196.271 2.740 10 0 AFAERN CC(C)[C@H](O)c1c(F)cccc1F 75853363 573711633 /nfs/dbraw/zinc/71/16/33/573711633.db2.gz HBDZYJZGPXZVCW-JTQLQIEISA-N 0 0 186.201 2.654 10 0 AFAERN CCCC(=O)N[C@@H]1CCCCC[C@H]1C 83950168 573711695 /nfs/dbraw/zinc/71/16/95/573711695.db2.gz SCARPCADVBIPNF-GHMZBOCLSA-N 0 0 197.322 2.872 10 0 AFAERN CC(=O)[C@H]1Cc2cc(C)ccc2S1 258095601 573711750 /nfs/dbraw/zinc/71/17/50/573711750.db2.gz NQVPBMCUWJHRHQ-LLVKDONJSA-N 0 0 192.283 2.601 10 0 AFAERN O[C@@H](C1=CCCCCCC1)C(F)F 236555621 573711753 /nfs/dbraw/zinc/71/17/53/573711753.db2.gz UUEUCTQHTSICFN-VIFPVBQESA-N 0 0 190.233 2.893 10 0 AFAERN CCO[C@@H](C)C(=O)[C@@H](C)CC(C)C 393554303 573711759 /nfs/dbraw/zinc/71/17/59/573711759.db2.gz MDBSCFLKRDFOIS-UWVGGRQHSA-N 0 0 186.295 2.663 10 0 AFAERN Cc1cc(O)c2c(c1Cl)CCC2 238492240 573711786 /nfs/dbraw/zinc/71/17/86/573711786.db2.gz NHFUTOFTJMGABX-UHFFFAOYSA-N 0 0 182.650 2.843 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1cncc(N)c1 122204978 573711791 /nfs/dbraw/zinc/71/17/91/573711791.db2.gz MNHBZLKZEORGCC-BDAKNGLRSA-N 0 0 193.294 2.510 10 0 AFAERN c1coc(OC2CCCC2)c1 238011912 573711805 /nfs/dbraw/zinc/71/18/05/573711805.db2.gz ZDCJOLVGPVWDCA-UHFFFAOYSA-N 0 0 152.193 2.601 10 0 AFAERN CCc1ccccc1[C@@H](O)C(C)C 75853973 573711985 /nfs/dbraw/zinc/71/19/85/573711985.db2.gz QXVQIUDGPBHTTH-LBPRGKRZSA-N 0 0 178.275 2.938 10 0 AFAERN Cc1cc2c(c3cc[nH]c13)CCC2 197512038 573711995 /nfs/dbraw/zinc/71/19/95/573711995.db2.gz UERDTQQEKJHTED-UHFFFAOYSA-N 0 0 171.243 2.965 10 0 AFAERN CC(C)[C@@H](O)c1ccc2[nH]ccc2c1 75853445 573712013 /nfs/dbraw/zinc/71/20/13/573712013.db2.gz KDWDLRFQHNXFMX-GFCCVEGCSA-N 0 0 189.258 2.857 10 0 AFAERN C/C=C/[C@@H](O)C1=CCCCCC1 238032998 573714014 /nfs/dbraw/zinc/71/40/14/573714014.db2.gz YBHGMEDFKXAQMC-HVUAZKLTSA-N 0 0 166.264 2.814 10 0 AFAERN O=C1C=C2C=CC=C3C=CC=C(C1)[C@H]32 258095823 573714051 /nfs/dbraw/zinc/71/40/51/573714051.db2.gz XESUQLPWGVRXDH-UHFFFAOYSA-N 0 0 182.222 2.977 10 0 AFAERN Cc1ccc(N)c(C(=O)C(C)(C)C)c1 75854812 573714175 /nfs/dbraw/zinc/71/41/75/573714175.db2.gz JUVDKRBMEKQCQH-UHFFFAOYSA-N 0 0 191.274 2.806 10 0 AFAERN C=CC1=C([C@H](O)/C=C/C)CCCC1 238032870 573714214 /nfs/dbraw/zinc/71/42/14/573714214.db2.gz IOOZCVDRFWIZBZ-QDBLGGKGSA-N 0 0 178.275 2.980 10 0 AFAERN O[C@@H](C1=CCCCC1)[C@H]1CCSC1 236550458 573714224 /nfs/dbraw/zinc/71/42/24/573714224.db2.gz PTMAWZSGXWOYQW-QWRGUYRKSA-N 0 0 198.331 2.601 10 0 AFAERN CC12CCCC(C)(CCC1)C2=O 224597141 573714247 /nfs/dbraw/zinc/71/42/47/573714247.db2.gz DCPKVOZANXXTDL-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CCOc1c[nH]c2cccc(C)c12 197515226 573714290 /nfs/dbraw/zinc/71/42/90/573714290.db2.gz NAMLDJIAMILQNK-UHFFFAOYSA-N 0 0 175.231 2.875 10 0 AFAERN CCN1N=CC(=O)C1C1CCCCC1 257855023 573714293 /nfs/dbraw/zinc/71/42/93/573714293.db2.gz PTSCIYFPBBTOBZ-UHFFFAOYSA-N 0 0 194.278 2.656 10 0 AFAERN COCc1cc2c(C)cccc2[nH]1 257855289 573714384 /nfs/dbraw/zinc/71/43/84/573714384.db2.gz CYSLHZHCOWSHDI-UHFFFAOYSA-N 0 0 175.231 2.623 10 0 AFAERN Cc1ccccc1[C@@]1(C)CCC1=O 238492330 573714400 /nfs/dbraw/zinc/71/44/00/573714400.db2.gz ITLFMOMGBCBIGX-GFCCVEGCSA-N 0 0 174.243 2.616 10 0 AFAERN Cc1c(F)cccc1OC1CC1 238493427 573714469 /nfs/dbraw/zinc/71/44/69/573714469.db2.gz PALMPUVATMKNIC-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN CC(C)c1nc([C@H](C)C(C)C)no1 306688880 573714522 /nfs/dbraw/zinc/71/45/22/573714522.db2.gz KBGLIPXYMWEKHU-MRVPVSSYSA-N 0 0 182.267 2.953 10 0 AFAERN Cc1[nH]ccc1C(=O)c1ccccc1 238492992 573714526 /nfs/dbraw/zinc/71/45/26/573714526.db2.gz KZTGYMADXBMPLH-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN Cc1cnc2nccc(Cl)c2c1 238492194 573714533 /nfs/dbraw/zinc/71/45/33/573714533.db2.gz NQRIEHHSRLQGHJ-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN CCCc1ccc([C@](C)(F)CO)cc1 257854218 573714632 /nfs/dbraw/zinc/71/46/32/573714632.db2.gz SVMZTYMCUFLIKX-GFCCVEGCSA-N 0 0 196.265 2.816 10 0 AFAERN CCN(CC)/C(Cl)=C\Cl 197502618 573714633 /nfs/dbraw/zinc/71/46/33/573714633.db2.gz VBHRSBHGHGUHHE-WAYWQWQTSA-N 0 0 168.067 2.605 10 0 AFAERN O[C@H](C1=CCCCC1)c1cncs1 236559973 573714666 /nfs/dbraw/zinc/71/46/66/573714666.db2.gz DQQIENLQFDDUFG-SNVBAGLBSA-N 0 0 195.287 2.677 10 0 AFAERN CC1(C)CNc2ccc(O)cc2S1 258418098 573714669 /nfs/dbraw/zinc/71/46/69/573714669.db2.gz DQSJRHTYJOPXRC-UHFFFAOYSA-N 0 0 195.287 2.688 10 0 AFAERN CNC(=S)c1c(C)cc(C)cc1C 75856532 573714686 /nfs/dbraw/zinc/71/46/86/573714686.db2.gz JUJZVHPZJWSEEE-UHFFFAOYSA-N 0 0 193.315 2.507 10 0 AFAERN O[C@@H](C1=CCCCC1)[C@@H]1CCCS1 236551522 573714703 /nfs/dbraw/zinc/71/47/03/573714703.db2.gz GIDVPTOIRBWBTP-QWRGUYRKSA-N 0 0 198.331 2.743 10 0 AFAERN CCCC[C@@]1(O)CCCS[C@@H]1C 86947907 573714706 /nfs/dbraw/zinc/71/47/06/573714706.db2.gz FVBIMDZOLFQVPW-NXEZZACHSA-N 0 0 188.336 2.823 10 0 AFAERN Cc1ccc(F)c2c1[C@@H](CCO)CC2 238493130 573714769 /nfs/dbraw/zinc/71/47/69/573714769.db2.gz UQJCNYHVGANTHR-SECBINFHSA-N 0 0 194.249 2.546 10 0 AFAERN Cc1cc(O)c2c(c1)OC(C)(C)C=C2 238492107 573714826 /nfs/dbraw/zinc/71/48/26/573714826.db2.gz BIRASKUVCMCXRU-UHFFFAOYSA-N 0 0 190.242 2.885 10 0 AFAERN C[C@H]1OC(C)(C)Nc2ccccc21 238492817 573714861 /nfs/dbraw/zinc/71/48/61/573714861.db2.gz XQVSKIGWLWGROU-MRVPVSSYSA-N 0 0 177.247 2.926 10 0 AFAERN Cc1ccc(O)c2c1N[C@@H](C)[C@H](C)C2 238492758 573714937 /nfs/dbraw/zinc/71/49/37/573714937.db2.gz BLHQTTYTVONRID-BDAKNGLRSA-N 0 0 191.274 2.693 10 0 AFAERN FC(F)(F)c1ccc2c(c1)N[C@@H]1C[C@H]21 257854469 573714949 /nfs/dbraw/zinc/71/49/49/573714949.db2.gz ANMDBRQQSDDCLS-VXNVDRBHSA-N 0 0 199.175 2.987 10 0 AFAERN O=C1CCCC2=C[C@@H](CCC1)C2 197518432 573715063 /nfs/dbraw/zinc/71/50/63/573715063.db2.gz YRAVPVIGAFGHHX-SECBINFHSA-N 0 0 164.248 2.856 10 0 AFAERN O[C@@H](C1=CCCCC1)[C@@H]1CCSC1 236555025 573715073 /nfs/dbraw/zinc/71/50/73/573715073.db2.gz PTMAWZSGXWOYQW-MNOVXSKESA-N 0 0 198.331 2.601 10 0 AFAERN Cc1[nH]c2cccc3c2c1CCC3 238492233 573715078 /nfs/dbraw/zinc/71/50/78/573715078.db2.gz GDDXSVDHKWGKHR-UHFFFAOYSA-N 0 0 171.243 2.965 10 0 AFAERN Cc1cc(C)c2c(c1C)CCCN2 238493235 573715132 /nfs/dbraw/zinc/71/51/32/573715132.db2.gz SVJHGBZLUNXXEH-UHFFFAOYSA-N 0 0 175.275 2.970 10 0 AFAERN CC(=O)c1nccc2cc(F)ccc12 108267919 573715197 /nfs/dbraw/zinc/71/51/97/573715197.db2.gz PDIOQDMZJXZUJP-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN C/C(CCO)=C1/CCCC1(C)C 238039876 573715243 /nfs/dbraw/zinc/71/52/43/573715243.db2.gz OWZDOBZFYJZOEE-MDZDMXLPSA-N 0 0 168.280 2.895 10 0 AFAERN O[C@@H](/C=C/c1ccccc1)c1ccc[nH]1 238703791 573715260 /nfs/dbraw/zinc/71/52/60/573715260.db2.gz DYAAPMCDWCSJPC-XEHSLEBBSA-N 0 0 199.253 2.762 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCCS[C@@H]1C 86968322 573715270 /nfs/dbraw/zinc/71/52/70/573715270.db2.gz KNJYBHJOHRQXRV-AEJSXWLSSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1O 238492110 573715297 /nfs/dbraw/zinc/71/52/97/573715297.db2.gz RAHOWIIWWZHXET-LPEHRKFASA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)=C[C@@]1(O)CCCS[C@@H]1C 86968622 573715304 /nfs/dbraw/zinc/71/53/04/573715304.db2.gz UXHZLAVFYHJMRF-ZJUUUORDSA-N 0 0 186.320 2.599 10 0 AFAERN COc1csc(-c2ccc(C)o2)n1 259172677 573715407 /nfs/dbraw/zinc/71/54/07/573715407.db2.gz FUSUWGVJXMAVNB-UHFFFAOYSA-N 0 0 195.243 2.720 10 0 AFAERN CC(C)C[C@@]1(O)CCCS[C@@H]1C 86968061 573715410 /nfs/dbraw/zinc/71/54/10/573715410.db2.gz XAPDGCYGQYNDDV-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)c1noc2ccc(N)cc12 83963793 573715434 /nfs/dbraw/zinc/71/54/34/573715434.db2.gz IALGTIYFZDGLCR-UHFFFAOYSA-N 0 0 176.219 2.533 10 0 AFAERN C/C=C/[C@@H](O)[C@H]1C=Cc2ccccc21 238038602 573715440 /nfs/dbraw/zinc/71/54/40/573715440.db2.gz MOLYFNKDKSIYJH-LCRUUHARSA-N 0 0 186.254 2.734 10 0 AFAERN Cc1nc(C(=O)C(C)(C)C)oc1C 75854997 573715465 /nfs/dbraw/zinc/71/54/65/573715465.db2.gz CNDHFVUHKSQRAM-UHFFFAOYSA-N 0 0 181.235 2.520 10 0 AFAERN C[C@H]1C[C@@H](C(C)(C)C)CC1=O 238492062 573715466 /nfs/dbraw/zinc/71/54/66/573715466.db2.gz JQIFMQVCQPPLGS-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cc(O)c2c(C)c(C=O)oc2c1 238493394 573715506 /nfs/dbraw/zinc/71/55/06/573715506.db2.gz MWKPSARYFWBODF-UHFFFAOYSA-N 0 0 190.198 2.568 10 0 AFAERN Cc1nccc2c1CCCCC2 238492015 573715516 /nfs/dbraw/zinc/71/55/16/573715516.db2.gz OWYNHWHFICBALT-UHFFFAOYSA-N 0 0 161.248 2.659 10 0 AFAERN Oc1cccc2[nH]cc(Cl)c12 108286927 573731165 /nfs/dbraw/zinc/73/11/65/573731165.db2.gz YZUQGKZCYPMMFA-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN Cc1cc(=O)[nH]c(C(F)F)c1Cl 238487245 573731177 /nfs/dbraw/zinc/73/11/77/573731177.db2.gz XYBQZXCNBKJDKS-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN C[C@H]1C[C@@H](C)c2c(O)cccc2N1 258109827 573731194 /nfs/dbraw/zinc/73/11/94/573731194.db2.gz YYSUAQCFLORXEU-SFYZADRCSA-N 0 0 177.247 2.700 10 0 AFAERN Cc1ccc2c([C@H](C)O)coc2c1 257852136 573731204 /nfs/dbraw/zinc/73/12/04/573731204.db2.gz FIDSIDXEJUNJLS-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN CC1=C[C@](C)(CCCO)C=CC1 223384988 573731252 /nfs/dbraw/zinc/73/12/52/573731252.db2.gz JBCOLFXHMLBNQL-NSHDSACASA-N 0 0 166.264 2.671 10 0 AFAERN Oc1ccc2[nH]c(Cl)cc2c1 108286896 573731262 /nfs/dbraw/zinc/73/12/62/573731262.db2.gz AUXAYVPUXQFEHY-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN Nc1ccc2occ(Cl)c2c1 108286916 573731288 /nfs/dbraw/zinc/73/12/88/573731288.db2.gz QGEMWVSNCHKZAQ-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN Cc1cc(N)c(C)c(C)c1Cl 197586944 573731301 /nfs/dbraw/zinc/73/13/01/573731301.db2.gz SLVORFNNDLDNDR-UHFFFAOYSA-N 0 0 169.655 2.847 10 0 AFAERN C[C@H]1CC2=C(CCCCC2)[C@H]1O 238487926 573731328 /nfs/dbraw/zinc/73/13/28/573731328.db2.gz ILELJPXSPLIERO-KWQFWETISA-N 0 0 166.264 2.648 10 0 AFAERN Nc1cccc2c(F)cc(F)cc12 258109786 573731446 /nfs/dbraw/zinc/73/14/46/573731446.db2.gz YYCOXBARBCTJBO-UHFFFAOYSA-N 0 0 179.169 2.700 10 0 AFAERN COc1ccc2c(c1)C1(CCN2)CC1 257852557 573731462 /nfs/dbraw/zinc/73/14/62/573731462.db2.gz PFFPDESRUWOTPO-UHFFFAOYSA-N 0 0 189.258 2.542 10 0 AFAERN Nc1cc(O)c2cc(Cl)ccc2c1 257851849 573731485 /nfs/dbraw/zinc/73/14/85/573731485.db2.gz PBBVMRDMJUXJCU-UHFFFAOYSA-N 0 0 193.633 2.781 10 0 AFAERN CC[C@H](NN)c1ccc(Cl)c(C)c1 97684376 573731495 /nfs/dbraw/zinc/73/14/95/573731495.db2.gz CHCBGCSYSOCGPS-JTQLQIEISA-N 0 0 198.697 2.563 10 0 AFAERN CCC[C@@H](C)[C@H](NN)C1CCCCC1 126954106 573731526 /nfs/dbraw/zinc/73/15/26/573731526.db2.gz ANEQIDLRAGGQAE-PWSUYJOCSA-N 0 0 198.354 2.835 10 0 AFAERN C[C@H]1CC2=C(CCCC2)CC1=O 238487817 573731538 /nfs/dbraw/zinc/73/15/38/573731538.db2.gz AHPLGVOKEGYILV-QMMMGPOBSA-N 0 0 164.248 2.856 10 0 AFAERN Cc1ccc2c([C@@H](C)O)coc2c1 257852135 573731587 /nfs/dbraw/zinc/73/15/87/573731587.db2.gz FIDSIDXEJUNJLS-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN CC[C@@H](NN)c1ccc(Cl)c(C)c1 97684377 573731634 /nfs/dbraw/zinc/73/16/34/573731634.db2.gz CHCBGCSYSOCGPS-SNVBAGLBSA-N 0 0 198.697 2.563 10 0 AFAERN CCCc1ccc(N)c(SC)c1 144766898 573731643 /nfs/dbraw/zinc/73/16/43/573731643.db2.gz AXANBFDYYKOVMM-UHFFFAOYSA-N 0 0 181.304 2.943 10 0 AFAERN Cc1cc(N)c(C)c2c1C=CCC2 108290508 573731780 /nfs/dbraw/zinc/73/17/80/573731780.db2.gz OTJJRDQEELEMND-UHFFFAOYSA-N 0 0 173.259 2.845 10 0 AFAERN OC1(CCc2ccccc2F)CCC1 258110504 573731835 /nfs/dbraw/zinc/73/18/35/573731835.db2.gz SSJDLDSICIOQOH-UHFFFAOYSA-N 0 0 194.249 2.673 10 0 AFAERN Fc1cccc([C@@]23CC[C@@H](CO2)C3)c1 258417266 573731841 /nfs/dbraw/zinc/73/18/41/573731841.db2.gz ZYOYUQDFTVHDEO-SKDRFNHKSA-N 0 0 192.233 2.851 10 0 AFAERN Cc1coc(Oc2ccccc2)n1 257851639 573732640 /nfs/dbraw/zinc/73/26/40/573732640.db2.gz BXJGVWOULMTTLI-UHFFFAOYSA-N 0 0 175.187 2.775 10 0 AFAERN Nc1ccc2c3c1CC[C@H]3CCC2 108290513 573731875 /nfs/dbraw/zinc/73/18/75/573731875.db2.gz QAMNXZWOTBREMM-MRVPVSSYSA-N 0 0 173.259 2.635 10 0 AFAERN CC(C)(CO)c1ccc(C2CC2)cc1 258111035 573731911 /nfs/dbraw/zinc/73/19/11/573731911.db2.gz PQMBIRNLVLZMHG-UHFFFAOYSA-N 0 0 190.286 2.834 10 0 AFAERN CNc1nsc2cccc(Cl)c12 83983746 573731937 /nfs/dbraw/zinc/73/19/37/573731937.db2.gz OKTLYCANRVLCHZ-UHFFFAOYSA-N 0 0 198.678 2.991 10 0 AFAERN CCc1cc(F)c(F)c(C2(O)CC2)c1 258111029 573731981 /nfs/dbraw/zinc/73/19/81/573731981.db2.gz PQFOZOCDIDNRQX-UHFFFAOYSA-N 0 0 198.212 2.509 10 0 AFAERN C[C@@H]1C=CC2=CCC[C@H](O)[C@@H]2[C@@H]1C 197591172 573732027 /nfs/dbraw/zinc/73/20/27/573732027.db2.gz QMOWHHXRPPPVMR-PKZYVASSSA-N 0 0 178.275 2.526 10 0 AFAERN CCCc1ccccc1[C@@](C)(F)CO 257852929 573732093 /nfs/dbraw/zinc/73/20/93/573732093.db2.gz SMFOBSYMBTXBON-LBPRGKRZSA-N 0 0 196.265 2.816 10 0 AFAERN CC[C@@H](CCC1CCCCC1)NN 126879861 573732267 /nfs/dbraw/zinc/73/22/67/573732267.db2.gz XOJOCPTYKLPHAG-NSHDSACASA-N 0 0 184.327 2.589 10 0 AFAERN Oc1ccc2c(Cl)coc2c1 108287659 573732366 /nfs/dbraw/zinc/73/23/66/573732366.db2.gz AOOBOMGSXXZCPO-UHFFFAOYSA-N 0 0 168.579 2.792 10 0 AFAERN CC1CCC(C[C@H](F)CO)CC1 108290882 573732368 /nfs/dbraw/zinc/73/23/68/573732368.db2.gz NIHUMRVJCLJFCN-RTBKNWGFSA-N 0 0 174.259 2.533 10 0 AFAERN Oc1cccc2occ(Cl)c12 108287665 573732394 /nfs/dbraw/zinc/73/23/94/573732394.db2.gz UQDIOMGUIMPSLP-UHFFFAOYSA-N 0 0 168.579 2.792 10 0 AFAERN C[C@H]1C[C@H](C)c2c(O)cccc2N1 258109832 573732412 /nfs/dbraw/zinc/73/24/12/573732412.db2.gz YYSUAQCFLORXEU-YUMQZZPRSA-N 0 0 177.247 2.700 10 0 AFAERN CCc1cccc2c1N=CCC2 223380944 573732545 /nfs/dbraw/zinc/73/25/45/573732545.db2.gz XHPIXYMUUHHLAZ-UHFFFAOYSA-N 0 0 159.232 2.898 10 0 AFAERN Cc1ccc(F)c(-c2ncc[nH]2)c1 75898979 573732601 /nfs/dbraw/zinc/73/26/01/573732601.db2.gz VDHNCVSRYQCWAQ-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN CC(=O)c1ccc2cccc-2cc1 238071851 573739694 /nfs/dbraw/zinc/73/96/94/573739694.db2.gz PAMDHSDRWJUUFK-UHFFFAOYSA-N 0 0 170.211 2.994 10 0 AFAERN Cc1c(O)c(Cl)cc2c1CCCO2 224993494 573739707 /nfs/dbraw/zinc/73/97/07/573739707.db2.gz MSJUGJRFLWGYMO-UHFFFAOYSA-N 0 0 198.649 2.679 10 0 AFAERN OC[C@]12CCCC=C1CCCC2 223458985 573738988 /nfs/dbraw/zinc/73/89/88/573738988.db2.gz QTJYFHBAIRHYFX-LLVKDONJSA-N 0 0 166.264 2.649 10 0 AFAERN C/C=C1/[C@H](C)C[C@H](C)[C@@H](O)[C@@H]1C 238075175 573739021 /nfs/dbraw/zinc/73/90/21/573739021.db2.gz BVKPIGVPNBBWRO-VUBKWJAXSA-N 0 0 168.280 2.606 10 0 AFAERN CC/C=C/C(=O)OC/C=C\CCC 308427699 573739053 /nfs/dbraw/zinc/73/90/53/573739053.db2.gz XZTHEPAQECFIRQ-SOKJVCRVSA-N 0 0 182.263 2.852 10 0 AFAERN C/C=C(/[C@@H](O)CC)[Si](C)(C)C 197641556 573739078 /nfs/dbraw/zinc/73/90/78/573739078.db2.gz WCWWCUPZNUHFMX-FZGDARCMSA-N 0 0 172.344 2.581 10 0 AFAERN Cc1cc2cccc(C3(O)CC3)c2o1 258113379 573739081 /nfs/dbraw/zinc/73/90/81/573739081.db2.gz PVFLTLKFDFZEKY-UHFFFAOYSA-N 0 0 188.226 2.723 10 0 AFAERN CSCNc1ccccc1F 143211422 573739162 /nfs/dbraw/zinc/73/91/62/573739162.db2.gz REUIXHQDOJOQTM-UHFFFAOYSA-N 0 0 171.240 2.558 10 0 AFAERN C=C/C=C/[C@@H]1C=CC[C@@H]1C(C)=O 238071272 573739187 /nfs/dbraw/zinc/73/91/87/573739187.db2.gz JNEAFRRIRFINAL-JYBZGJHDSA-N 0 0 162.232 2.510 10 0 AFAERN CC(=O)[C@H]1CCC=CC1(C)C 238072706 573739194 /nfs/dbraw/zinc/73/91/94/573739194.db2.gz FLCTWKOJFFWGQC-SECBINFHSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)c1ccc2c(N)cccc2c1 238071494 573739282 /nfs/dbraw/zinc/73/92/82/573739282.db2.gz ONWLTPNUHONQBL-UHFFFAOYSA-N 0 0 185.226 2.625 10 0 AFAERN c1ccc(NCN2CCCCC2)cc1 143217416 573739288 /nfs/dbraw/zinc/73/92/88/573739288.db2.gz KBBUZGTXUQJPEZ-UHFFFAOYSA-N 0 0 190.290 2.542 10 0 AFAERN CSc1onc2c1CCCCC2 108295913 573739330 /nfs/dbraw/zinc/73/93/30/573739330.db2.gz BSOYBGGYZYLGTI-UHFFFAOYSA-N 0 0 183.276 2.665 10 0 AFAERN CCc1sc(C=O)nc1C1CCC1 257859204 573739359 /nfs/dbraw/zinc/73/93/59/573739359.db2.gz QPXCRALUTDVNDK-UHFFFAOYSA-N 0 0 195.287 2.786 10 0 AFAERN CCCC1(CCC)CCC1=O 143197485 573739458 /nfs/dbraw/zinc/73/94/58/573739458.db2.gz BXBZTGQMVILRSS-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CC[C@H](C)C(=O)c1ccccc1NC 223508701 573739503 /nfs/dbraw/zinc/73/95/03/573739503.db2.gz UMWBQPNNGJTZJM-VIFPVBQESA-N 0 0 191.274 2.957 10 0 AFAERN CC(=O)Nc1cc(C)cc(Cl)c1C 238073958 573739513 /nfs/dbraw/zinc/73/95/13/573739513.db2.gz OWHJNXVAANXIKF-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN Cc1cc(-c2ncco2)cc(C)c1N 143246311 573739539 /nfs/dbraw/zinc/73/95/39/573739539.db2.gz CLNAFTIWUKHSRR-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc([C@@H]2CC[C@@H](O)[C@@H]2C)s1 84021258 573739596 /nfs/dbraw/zinc/73/95/96/573739596.db2.gz VPVJRUSLEZYJNZ-OPRDCNLKSA-N 0 0 196.315 2.931 10 0 AFAERN C[C@]12CC(=O)[C@@H]1CC1=C2CCCC1 238500325 573739625 /nfs/dbraw/zinc/73/96/25/573739625.db2.gz PPNKPJCNSARBCX-CMPLNLGQSA-N 0 0 176.259 2.856 10 0 AFAERN O=NN1CCCCc2ccccc21 143210631 573739628 /nfs/dbraw/zinc/73/96/28/573739628.db2.gz NVBVRHNQZLTSOA-UHFFFAOYSA-N 0 0 176.219 2.511 10 0 AFAERN OC[C@@]12CCCC=C1CCCC2 223458925 573739657 /nfs/dbraw/zinc/73/96/57/573739657.db2.gz QTJYFHBAIRHYFX-NSHDSACASA-N 0 0 166.264 2.649 10 0 AFAERN C[C@@H]1Cc2c(C3CC3)cccc2[C@H]1O 87015426 573744397 /nfs/dbraw/zinc/74/43/97/573744397.db2.gz VIKHWCQOXWDIJT-OQPBUACISA-N 0 0 188.270 2.790 10 0 AFAERN Cc1cc(C(F)F)c(C)nc1F 238500535 573744469 /nfs/dbraw/zinc/74/44/69/573744469.db2.gz NYHNUQXZAKQFBS-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Fc1ccc2c(c1)CC[C@@H](C1CC1)N2 108301647 573744510 /nfs/dbraw/zinc/74/45/10/573744510.db2.gz PTDRWWCQBHDDOW-NSHDSACASA-N 0 0 191.249 2.962 10 0 AFAERN Cc1ccsc1[C@@H]1CCCC1=O 87022716 573744579 /nfs/dbraw/zinc/74/45/79/573744579.db2.gz MFLKXPABSQURHB-MRVPVSSYSA-N 0 0 180.272 2.893 10 0 AFAERN Cc1cc2c(F)cc(F)cc2[nH]1 238501728 573744594 /nfs/dbraw/zinc/74/45/94/573744594.db2.gz NGCGXVUETZCPCA-UHFFFAOYSA-N 0 0 167.158 2.755 10 0 AFAERN Cc1cc2c(Cl)ccnc2cn1 238501230 573744610 /nfs/dbraw/zinc/74/46/10/573744610.db2.gz JFRGFFATRSIJEY-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN FC1(F)CC[C@H](c2cccnc2)C1 258900077 573744619 /nfs/dbraw/zinc/74/46/19/573744619.db2.gz UWLUGIYYQSJXLH-QMMMGPOBSA-N 0 0 183.201 2.984 10 0 AFAERN C[C@H]1Nc2ccccc2[C@H]1C1CC1 238501311 573744627 /nfs/dbraw/zinc/74/46/27/573744627.db2.gz UMWNEGXBPKBZIV-PRHODGIISA-N 0 0 173.259 2.994 10 0 AFAERN CO[C@@H]1CCCC[C@@H]1[C@H](C)CC(C)=O 308701395 573744641 /nfs/dbraw/zinc/74/46/41/573744641.db2.gz VCDXIVWVRZATQD-YUSALJHKSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ccccc1-c1nncs1 238501454 573744683 /nfs/dbraw/zinc/74/46/83/573744683.db2.gz SOZBCGLZRBTMRP-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1cc(Cl)cc([C@H](C)CO)c1 258116121 573744694 /nfs/dbraw/zinc/74/46/94/573744694.db2.gz QDGHXVPTAMZERD-MRVPVSSYSA-N 0 0 184.666 2.744 10 0 AFAERN Cc1ccsc1[C@@H]1CC[C@H](O)[C@@H]1C 87023432 573744697 /nfs/dbraw/zinc/74/46/97/573744697.db2.gz WPWHWQGTGPOSIS-BBBLOLIVSA-N 0 0 196.315 2.931 10 0 AFAERN C[C@@]1(c2cccc(Cl)c2)CC[C@@H]1O 238500677 573744732 /nfs/dbraw/zinc/74/47/32/573744732.db2.gz XETMDXNYSYDLRK-QWRGUYRKSA-N 0 0 196.677 2.752 10 0 AFAERN CCCCCC(=O)c1ccnc(C)n1 125017456 573744766 /nfs/dbraw/zinc/74/47/66/573744766.db2.gz YMQDWQNVUPIHEL-UHFFFAOYSA-N 0 0 192.262 2.548 10 0 AFAERN C/C=C1\C(=O)O[C@]2(C)CC[C@H]1C2(C)C 238075974 573744776 /nfs/dbraw/zinc/74/47/76/573744776.db2.gz OLRUQJLTFXSSQO-ZJNIQKCRSA-N 0 0 194.274 2.684 10 0 AFAERN CC[C@H]1Oc2cc(Cl)ccc2[C@@H]1O 87016350 573744803 /nfs/dbraw/zinc/74/48/03/573744803.db2.gz ZMDYOYQJUJBXDJ-SCZZXKLOSA-N 0 0 198.649 2.544 10 0 AFAERN Cc1ccsc1[C@@H]1CC[C@@H](O)C1 87023376 573744814 /nfs/dbraw/zinc/74/48/14/573744814.db2.gz IEIKURWMZUHCJT-RKDXNWHRSA-N 0 0 182.288 2.685 10 0 AFAERN CCC[C@@H](CCC1CCCCC1)NN 127010366 573744836 /nfs/dbraw/zinc/74/48/36/573744836.db2.gz SCIVKQFVIDWYBG-LBPRGKRZSA-N 0 0 198.354 2.979 10 0 AFAERN CO[C@@H]1CCCC[C@H]1[C@H](C)CC(C)=O 308701392 573744945 /nfs/dbraw/zinc/74/49/45/573744945.db2.gz VCDXIVWVRZATQD-ADEWGFFLSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@@H]1CNc2c(Cl)cccc2OC1 259174580 573744948 /nfs/dbraw/zinc/74/49/48/573744948.db2.gz JFJRSESTMZCECY-SSDOTTSWSA-N 0 0 197.665 2.780 10 0 AFAERN CCCC[C@H](CC)[C@@H](CCC)NN 127005782 573745002 /nfs/dbraw/zinc/74/50/02/573745002.db2.gz PJIAKSKIKIRFEP-WDEREUQCSA-N 0 0 186.343 2.835 10 0 AFAERN CCn1ccc2ccc([C@H](C)O)cc21 257862545 573745872 /nfs/dbraw/zinc/74/58/72/573745872.db2.gz HARUHXFSOYWIIT-VIFPVBQESA-N 0 0 189.258 2.715 10 0 AFAERN C[C@]12CC=C[C@@H]1CCCCC2=O 238501600 573745925 /nfs/dbraw/zinc/74/59/25/573745925.db2.gz XTJLTIHBTXIKDD-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cccc(C(=O)CC(F)F)c1 238501079 573745959 /nfs/dbraw/zinc/74/59/59/573745959.db2.gz GSCOQUMHESXDOF-UHFFFAOYSA-N 0 0 184.185 2.833 10 0 AFAERN C[C@H]1Cc2c(C3CC3)cccc2[C@@H]1O 87015424 573745997 /nfs/dbraw/zinc/74/59/97/573745997.db2.gz VIKHWCQOXWDIJT-ISVAXAHUSA-N 0 0 188.270 2.790 10 0 AFAERN COc1cc2c(cc1N)CCCCC2 108301717 573746006 /nfs/dbraw/zinc/74/60/06/573746006.db2.gz DTCIULGFEYWTTF-UHFFFAOYSA-N 0 0 191.274 2.546 10 0 AFAERN Cc1ccsc1[C@H]1CC[C@@H](O)C1 87023378 573746022 /nfs/dbraw/zinc/74/60/22/573746022.db2.gz IEIKURWMZUHCJT-DTWKUNHWSA-N 0 0 182.288 2.685 10 0 AFAERN C[C@@]1(c2cccc(Cl)c2)CCC1=O 238500637 573746126 /nfs/dbraw/zinc/74/61/26/573746126.db2.gz YIGVXIVUGXYBBO-NSHDSACASA-N 0 0 194.661 2.961 10 0 AFAERN CC[C@H]1Oc2cc(Cl)ccc2C1=O 87015965 573746147 /nfs/dbraw/zinc/74/61/47/573746147.db2.gz DMNNJYGXINPIJY-MRVPVSSYSA-N 0 0 196.633 2.694 10 0 AFAERN CC1Nc2[nH]c3ccccc3c2C1=O 238500917 573746167 /nfs/dbraw/zinc/74/61/67/573746167.db2.gz SFMHQOWPYKCRIY-UHFFFAOYSA-N 0 0 186.214 2.663 10 0 AFAERN Clc1ccc(Oc2ncc[nH]2)cc1 257863216 573746192 /nfs/dbraw/zinc/74/61/92/573746192.db2.gz GFNCHHXOTVCLLC-UHFFFAOYSA-N 0 0 194.621 2.855 10 0 AFAERN Fc1cccc2c1N[C@@H](C1CC1)CC2 108301654 573746199 /nfs/dbraw/zinc/74/61/99/573746199.db2.gz CHNUFPLXOXCGDZ-LLVKDONJSA-N 0 0 191.249 2.962 10 0 AFAERN C[C@H]1Nc2ccccc2[C@@]2(C)C[C@@H]12 238501239 573746210 /nfs/dbraw/zinc/74/62/10/573746210.db2.gz OXHNYQNRGWEHKB-UBHAPETDSA-N 0 0 173.259 2.778 10 0 AFAERN CC(C)[C@@H]1C[C@H](O)c2ccccc2N1 108301696 573746226 /nfs/dbraw/zinc/74/62/26/573746226.db2.gz ZGWZILKPWIDXIV-RYUDHWBXSA-N 0 0 191.274 2.560 10 0 AFAERN Cn1cc(Cl)c2ccc(C=O)cc21 108303545 573746371 /nfs/dbraw/zinc/74/63/71/573746371.db2.gz OSGHUZYYCUDSSC-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN Cc1cc(Cl)cc(C(F)F)n1 238501280 573746387 /nfs/dbraw/zinc/74/63/87/573746387.db2.gz LLVAFBNWGHULGF-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN CCCCCC1CC(=O)C1 36455640 573746399 /nfs/dbraw/zinc/74/63/99/573746399.db2.gz IQSXQSIYYPWANK-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN c1ccc2cc3c(cc2c1)CCN3 144865055 573746554 /nfs/dbraw/zinc/74/65/54/573746554.db2.gz PKNCDHFQVUQOJE-UHFFFAOYSA-N 0 0 169.227 2.808 10 0 AFAERN C=Cc1ccc(O)c(C=C)c1 98044371 573746586 /nfs/dbraw/zinc/74/65/86/573746586.db2.gz GZGSEMRMKBBQGA-UHFFFAOYSA-N 0 0 146.189 2.678 10 0 AFAERN OCC[C@H]1CCCC[C@@H]1C(F)(F)F 108306159 573747784 /nfs/dbraw/zinc/74/77/84/573747784.db2.gz WYKKVVMUYLNXBS-SFYZADRCSA-N 0 0 196.212 2.738 10 0 AFAERN FC1(F)CC[C@@H](c2cccnc2)C1 258900075 573747791 /nfs/dbraw/zinc/74/77/91/573747791.db2.gz UWLUGIYYQSJXLH-MRVPVSSYSA-N 0 0 183.201 2.984 10 0 AFAERN OCC[C@H]1CC=C(C(F)(F)F)CC1 108303648 573747837 /nfs/dbraw/zinc/74/78/37/573747837.db2.gz JHVMYUJCXXRRGA-ZETCQYMHSA-N 0 0 194.196 2.658 10 0 AFAERN Cc1cc(Cl)c(Cl)c(N)c1O 238497427 573747927 /nfs/dbraw/zinc/74/79/27/573747927.db2.gz XIZBEQPYCCCWSU-UHFFFAOYSA-N 0 0 192.045 2.590 10 0 AFAERN Cc1cccc(Nc2cnns2)c1 238497780 573747947 /nfs/dbraw/zinc/74/79/47/573747947.db2.gz VQSDNPCVOBDVOB-UHFFFAOYSA-N 0 0 191.259 2.590 10 0 AFAERN CC(C)(C)c1noc2c(N)cccc12 257863771 573747989 /nfs/dbraw/zinc/74/79/89/573747989.db2.gz ROAFILGCTFSNME-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN CC(=O)Nc1c(C)c(C)cc(C)c1F 238066111 573747992 /nfs/dbraw/zinc/74/79/92/573747992.db2.gz WAVWGAYEZSCSFC-UHFFFAOYSA-N 0 0 195.237 2.709 10 0 AFAERN COc1cc(NCCC(C)C)ccn1 127039944 573748010 /nfs/dbraw/zinc/74/80/10/573748010.db2.gz USESLLOMWSZYAD-UHFFFAOYSA-N 0 0 194.278 2.548 10 0 AFAERN C[C@]12CCC=CCC[C@]1(C)C2CO 393561636 573748057 /nfs/dbraw/zinc/74/80/57/573748057.db2.gz DPLFGUUAIZDSDQ-VXGBXAGGSA-N 0 0 180.291 2.751 10 0 AFAERN CC(=O)c1cc2scc(C)n2c1 238065632 573748084 /nfs/dbraw/zinc/74/80/84/573748084.db2.gz AYCBSLLEOAWTFT-UHFFFAOYSA-N 0 0 179.244 2.512 10 0 AFAERN Cc1ccc2c(c1Cl)C(=O)CCN2 238498230 573748138 /nfs/dbraw/zinc/74/81/38/573748138.db2.gz QSIZYUYCHQYULG-UHFFFAOYSA-N 0 0 195.649 2.647 10 0 AFAERN Cc1c(F)cnc(C(F)F)c1F 238496557 573748147 /nfs/dbraw/zinc/74/81/47/573748147.db2.gz YIOHOAAFQXVPDY-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Cc1ccc2c(c1)NC(C)(C)C=N2 238496899 573748185 /nfs/dbraw/zinc/74/81/85/573748185.db2.gz CAVDTFMODCJYQZ-UHFFFAOYSA-N 0 0 174.247 2.901 10 0 AFAERN CCC[C@@H](NN)c1c(C)oc(C)c1C 126995771 573748321 /nfs/dbraw/zinc/74/83/21/573748321.db2.gz XGMNMUAPRIHJSY-SNVBAGLBSA-N 0 0 196.294 2.509 10 0 AFAERN Cc1ccc2c3c1[C@H](O)C[C@@H]3CCC2 238496660 573748322 /nfs/dbraw/zinc/74/83/22/573748322.db2.gz MJCUPXMFACZDKT-WDEREUQCSA-N 0 0 188.270 2.852 10 0 AFAERN Cc1c(C(F)F)cnc(F)c1C 238498305 573748336 /nfs/dbraw/zinc/74/83/36/573748336.db2.gz QQTXMDTVKJMAMI-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN CC(C)OC(=O)NCCC1CCCC1 127036302 573748404 /nfs/dbraw/zinc/74/84/04/573748404.db2.gz KXVYOEKBUNAVEK-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CCCC[C@@H](CC)[C@@H](CCC)NN 127005568 573748416 /nfs/dbraw/zinc/74/84/16/573748416.db2.gz PJIAKSKIKIRFEP-GHMZBOCLSA-N 0 0 186.343 2.835 10 0 AFAERN OCC[C@@H]1CCC[C@@H](C(F)(F)F)C1 108306167 573748423 /nfs/dbraw/zinc/74/84/23/573748423.db2.gz XUVSAOCLDJRLQG-JGVFFNPUSA-N 0 0 196.212 2.738 10 0 AFAERN COc1cc(N)cc2ccc(F)cc12 257863113 573748427 /nfs/dbraw/zinc/74/84/27/573748427.db2.gz RLBVWCDKOWRPJB-UHFFFAOYSA-N 0 0 191.205 2.570 10 0 AFAERN Cc1ccc2c(c1Cl)CCC(=O)N2 238497189 573748446 /nfs/dbraw/zinc/74/84/46/573748446.db2.gz UUEXBPAYZLEAGD-UHFFFAOYSA-N 0 0 195.649 2.533 10 0 AFAERN CCC[C@@H](CCC1CCCC1)NN 127016885 573748450 /nfs/dbraw/zinc/74/84/50/573748450.db2.gz WLAXOQSWDAUGAR-NSHDSACASA-N 0 0 184.327 2.589 10 0 AFAERN CC(=O)[C@H]1Cc2ccc(Cl)cc2C1 108304391 573750768 /nfs/dbraw/zinc/75/07/68/573750768.db2.gz PJSPXJDYPHJHNW-VIFPVBQESA-N 0 0 194.661 2.644 10 0 AFAERN Oc1c[nH]c2ccc(Cl)cc12 143315025 573750776 /nfs/dbraw/zinc/75/07/76/573750776.db2.gz RMKJUAPJWYVNLY-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN Cc1ccc2c3c1[C@@H](O)C[C@@H]3CCC2 238496676 573750842 /nfs/dbraw/zinc/75/08/42/573750842.db2.gz MJCUPXMFACZDKT-QWRGUYRKSA-N 0 0 188.270 2.852 10 0 AFAERN Cc1c(C(F)F)cc(F)nc1F 238498026 573750870 /nfs/dbraw/zinc/75/08/70/573750870.db2.gz CPOFDQRVZVJYRL-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN CCc1ocnc1-c1ccccc1O 257864421 573750911 /nfs/dbraw/zinc/75/09/11/573750911.db2.gz RROFHALLBPJGTR-UHFFFAOYSA-N 0 0 189.214 2.610 10 0 AFAERN CCc1cc(C(C)(C)O)ccc1F 258116254 573750962 /nfs/dbraw/zinc/75/09/62/573750962.db2.gz QFTFYIVYDFKCAX-UHFFFAOYSA-N 0 0 182.238 2.616 10 0 AFAERN Cc1ccc2cccc3c2c1C[C@H]3O 238497636 573751139 /nfs/dbraw/zinc/75/11/39/573751139.db2.gz RWFBQBCCJMMHQY-GFCCVEGCSA-N 0 0 184.238 2.738 10 0 AFAERN CC(=O)c1ccc(F)c(OC2CC2)c1 238066434 573751192 /nfs/dbraw/zinc/75/11/92/573751192.db2.gz MMSTZUMCKJRONA-UHFFFAOYSA-N 0 0 194.205 2.570 10 0 AFAERN Cc1c(F)cc([C@H](C)O)cc1Cl 258116278 573751216 /nfs/dbraw/zinc/75/12/16/573751216.db2.gz QFZOFFGVPLRUGG-LURJTMIESA-N 0 0 188.629 2.841 10 0 AFAERN CC(=O)C[C@@H]1C[C@H](C)C1(C)C 238497227 573751245 /nfs/dbraw/zinc/75/12/45/573751245.db2.gz NYJLAGUSTNNPGE-CBAPKCEASA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cccc(Nc2nncs2)c1 238498100 573751296 /nfs/dbraw/zinc/75/12/96/573751296.db2.gz TULYDPKECLBRDC-UHFFFAOYSA-N 0 0 191.259 2.590 10 0 AFAERN CC(=O)N[C@@]12CCCC=C1CCCC2 238062644 573751325 /nfs/dbraw/zinc/75/13/25/573751325.db2.gz RUEMYQUORSGDBG-GFCCVEGCSA-N 0 0 193.290 2.546 10 0 AFAERN Cc1nc2ccc(C=O)cc2c(C)c1C 257865921 573751395 /nfs/dbraw/zinc/75/13/95/573751395.db2.gz PLWIDVMTXLLULH-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN COc1cc(C(C)(C)C)sc1C=O 108309660 573751414 /nfs/dbraw/zinc/75/14/14/573751414.db2.gz JAAYKDHLPZJOPN-UHFFFAOYSA-N 0 0 198.287 2.867 10 0 AFAERN CC(C)=C[C@@H]1C[C@H](C)C(=O)[C@@H]1C 238496728 573751436 /nfs/dbraw/zinc/75/14/36/573751436.db2.gz ITUHDPJHTDTRJJ-IVZWLZJFSA-N 0 0 166.264 2.814 10 0 AFAERN C[C@]12C=CC[C@H]1CCCCC2=O 238498572 573755107 /nfs/dbraw/zinc/75/51/07/573755107.db2.gz KYYJEQVPAYHJRU-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc(C(F)F)c(Cl)c(N)n1 238504953 573755113 /nfs/dbraw/zinc/75/51/13/573755113.db2.gz BQDVWRHUIACEIN-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C[C@]12C=CC[C@@H]1CCCCC2=O 238498437 573755126 /nfs/dbraw/zinc/75/51/26/573755126.db2.gz KYYJEQVPAYHJRU-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN C(=C/c1ccc[nH]1)\c1cc[nH]c1 143305912 573754256 /nfs/dbraw/zinc/75/42/56/573754256.db2.gz LJWINUGWHHNGEE-ONEGZZNKSA-N 0 0 158.204 2.513 10 0 AFAERN Cc1cc(C(F)F)c(C)c(C)n1 238499733 573754261 /nfs/dbraw/zinc/75/42/61/573754261.db2.gz KQVUYBNDRHVZEG-UHFFFAOYSA-N 0 0 171.190 2.944 10 0 AFAERN Nc1cccc(C2CCSCC2)c1 257865438 573754287 /nfs/dbraw/zinc/75/42/87/573754287.db2.gz RXIQYSRLTIXXJD-UHFFFAOYSA-N 0 0 193.315 2.879 10 0 AFAERN COCCCC[C@@H]1C[C@H](C)CCC1=O 130979810 573754292 /nfs/dbraw/zinc/75/42/92/573754292.db2.gz AMKQDLBLNDHLPJ-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1cc(Cl)c(=O)[nH]c1C(F)F 238499512 573754322 /nfs/dbraw/zinc/75/43/22/573754322.db2.gz PBNPMSCYIKRHMO-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN C[C@H]1Nc2cc(N)ccc2CC1(C)C 238499824 573754421 /nfs/dbraw/zinc/75/44/21/573754421.db2.gz SHGQPYGUMDLQBA-MRVPVSSYSA-N 0 0 190.290 2.652 10 0 AFAERN Cc1cc2c(C)[nH]c(=S)nc2o1 238498762 573754446 /nfs/dbraw/zinc/75/44/46/573754446.db2.gz JPCRWKKCICVOGV-UHFFFAOYSA-N 0 0 180.232 2.502 10 0 AFAERN CCn1cc(-c2ccccc2F)cn1 87050304 573754448 /nfs/dbraw/zinc/75/44/48/573754448.db2.gz SHJQUYJZRAKYTC-UHFFFAOYSA-N 0 0 190.221 2.709 10 0 AFAERN Cc1ccc(Cl)c2c1O[C@@H](C)C2=O 84057928 573754499 /nfs/dbraw/zinc/75/44/99/573754499.db2.gz DLPQJPZMEIVOKL-LURJTMIESA-N 0 0 196.633 2.612 10 0 AFAERN CC1=CC(C)(C)[C@@H](C)C[C@H]1CO 238499609 573754563 /nfs/dbraw/zinc/75/45/63/573754563.db2.gz XZULEOBEJXWYJS-UWVGGRQHSA-N 0 0 168.280 2.607 10 0 AFAERN Cc1cccc(OC2CCCC2)n1 238498409 573754568 /nfs/dbraw/zinc/75/45/68/573754568.db2.gz PBQAHEQPIPBYBA-UHFFFAOYSA-N 0 0 177.247 2.711 10 0 AFAERN C[C@]1([C@@H]2CCCC2=O)C=CCC1 238498743 573754658 /nfs/dbraw/zinc/75/46/58/573754658.db2.gz BNAHSVAVZLBPCW-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@]1([C@@H]2C=CCC2)CCCC1=O 238499099 573754693 /nfs/dbraw/zinc/75/46/93/573754693.db2.gz KUWUKCXOPYLGOY-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN COCCCC[C@H](C(C)=O)C(C)C 130983716 573754699 /nfs/dbraw/zinc/75/46/99/573754699.db2.gz XFRRSBJPXAQWMZ-NSHDSACASA-N 0 0 186.295 2.664 10 0 AFAERN Cc1c(F)ncc(C(F)F)c1F 238498525 573754740 /nfs/dbraw/zinc/75/47/40/573754740.db2.gz CLJZCNIPBVCPKX-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Cc1ccc(F)cc1-c1nncs1 238499701 573754749 /nfs/dbraw/zinc/75/47/49/573754749.db2.gz UKPYHZHTXGTADJ-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CCCNc1c(F)cc(F)cc1F 84056340 573754756 /nfs/dbraw/zinc/75/47/56/573754756.db2.gz OWHGRAGABAWBLF-UHFFFAOYSA-N 0 0 189.180 2.926 10 0 AFAERN C[C@@]1([C@H]2C=CCC2)CCCC1=O 238498735 573754757 /nfs/dbraw/zinc/75/47/57/573754757.db2.gz KUWUKCXOPYLGOY-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc2c(cc1C)N[C@H](C)[C@H](C)N2 238499564 573754789 /nfs/dbraw/zinc/75/47/89/573754789.db2.gz KEJRUPUTECWBKE-AOOOYVTPSA-N 0 0 190.290 2.918 10 0 AFAERN C[C@]1([C@H]2CCCC2=O)C=CCC1 238499115 573754800 /nfs/dbraw/zinc/75/48/00/573754800.db2.gz BNAHSVAVZLBPCW-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc(C)c2cccc-2c(CO)c1 238498948 573754842 /nfs/dbraw/zinc/75/48/42/573754842.db2.gz MYEACPJRFFXOMA-UHFFFAOYSA-N 0 0 186.254 2.901 10 0 AFAERN CCn1cc(-c2ccccc2C)cn1 87050326 573754850 /nfs/dbraw/zinc/75/48/50/573754850.db2.gz QGIKKXXLBSDALI-UHFFFAOYSA-N 0 0 186.258 2.878 10 0 AFAERN C[C@H]1N[C@H](c2ccccc2)CCS1 238498387 573754879 /nfs/dbraw/zinc/75/48/79/573754879.db2.gz WYOMAQNGHGMJKI-ONGXEEELSA-N 0 0 193.315 2.800 10 0 AFAERN CC1(C)CNc2c(N)cccc2S1 259183961 573754880 /nfs/dbraw/zinc/75/48/80/573754880.db2.gz JSSBKDBNWPQQCY-UHFFFAOYSA-N 0 0 194.303 2.565 10 0 AFAERN C/C=C1/CC[C@@H]2C(=O)CC[C@]12C 238077117 573755015 /nfs/dbraw/zinc/75/50/15/573755015.db2.gz OIDMJERWJVUYEZ-QTEJLFGYSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)CSc1ccc(F)cc1C 259184405 573755030 /nfs/dbraw/zinc/75/50/30/573755030.db2.gz ITCVFFSETRYUHY-UHFFFAOYSA-N 0 0 198.262 2.815 10 0 AFAERN C/C=C1/CC[C@H]2C(=O)CC[C@@]12C 238077477 573755866 /nfs/dbraw/zinc/75/58/66/573755866.db2.gz OIDMJERWJVUYEZ-YKIDMCHWSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc(C(F)F)c(Cl)c(=O)[nH]1 238504978 573755904 /nfs/dbraw/zinc/75/59/04/573755904.db2.gz UMFAMFNNHYDYJA-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1cc2c(CCCO)cccc2o1 238499414 573755940 /nfs/dbraw/zinc/75/59/40/573755940.db2.gz TYYIQTBKBJSGLP-UHFFFAOYSA-N 0 0 190.242 2.666 10 0 AFAERN C[C@@]1(c2ccc(Cl)cc2)CC[C@H]1O 238499847 573755169 /nfs/dbraw/zinc/75/51/69/573755169.db2.gz SHVITGVMIGLWQL-MNOVXSKESA-N 0 0 196.677 2.752 10 0 AFAERN Oc1ccc2ccn(C3CC3)c2c1 259620138 573755224 /nfs/dbraw/zinc/75/52/24/573755224.db2.gz FCWWTBHXTXUUTR-UHFFFAOYSA-N 0 0 173.215 2.682 10 0 AFAERN C[S@@](=O)c1cccc2ccsc12 238499608 573755231 /nfs/dbraw/zinc/75/52/31/573755231.db2.gz MIGPVCPNOPZDQQ-GFCCVEGCSA-N 0 0 196.296 2.639 10 0 AFAERN Cc1ccc2c(c1C)CCC[C@@H]2O 238504834 573755270 /nfs/dbraw/zinc/75/52/70/573755270.db2.gz SCSXZOIXYNXRNH-LBPRGKRZSA-N 0 0 176.259 2.673 10 0 AFAERN CCc1cc(C)c(C)c([C@@H](C)O)c1 258120324 573755351 /nfs/dbraw/zinc/75/53/51/573755351.db2.gz ZYQIFWXNIKXWNB-SNVBAGLBSA-N 0 0 178.275 2.919 10 0 AFAERN Cc1nc(C=O)oc1C1CCCCC1 257867185 573755359 /nfs/dbraw/zinc/75/53/59/573755359.db2.gz SGCXOWJSGSREIP-UHFFFAOYSA-N 0 0 193.246 2.843 10 0 AFAERN CC(=O)n1ccc2c(Cl)cccc21 238081595 573755444 /nfs/dbraw/zinc/75/54/44/573755444.db2.gz PKPYWURNLKFLLG-UHFFFAOYSA-N 0 0 193.633 2.955 10 0 AFAERN COCc1cc2c(C)cccc2o1 257866423 573755505 /nfs/dbraw/zinc/75/55/05/573755505.db2.gz HARLQRKWFGNNHX-UHFFFAOYSA-N 0 0 176.215 2.888 10 0 AFAERN C[C@@H]1CC(=O)C(C)(C)C1(C)C 143446952 573755595 /nfs/dbraw/zinc/75/55/95/573755595.db2.gz VZOHRAWDRIISDX-SSDOTTSWSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1csc2c(CON)cccc12 258120518 573755651 /nfs/dbraw/zinc/75/56/51/573755651.db2.gz PBYJPUXEWFMVHP-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN CCc1sc(C=O)nc1CC(C)C 257867364 573755660 /nfs/dbraw/zinc/75/56/60/573755660.db2.gz SIOUESOTIVOAQA-UHFFFAOYSA-N 0 0 197.303 2.717 10 0 AFAERN Cc1cc(C(F)F)c(Cl)cn1 238505037 573755704 /nfs/dbraw/zinc/75/57/04/573755704.db2.gz IMQUTDGIKPFCJH-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN CC(C)CCCCn1cc[nH]c1=S 147660868 573755786 /nfs/dbraw/zinc/75/57/86/573755786.db2.gz RVKZNWQUNZGQHP-UHFFFAOYSA-N 0 0 198.335 2.998 10 0 AFAERN CC(=O)n1cc(C)c2ccsc21 238081035 573756035 /nfs/dbraw/zinc/75/60/35/573756035.db2.gz POJQBDLJMFXYGM-UHFFFAOYSA-N 0 0 179.244 2.671 10 0 AFAERN CCn1cc(-c2cccc(F)c2)cn1 87050332 573756100 /nfs/dbraw/zinc/75/61/00/573756100.db2.gz ULGHQLZNVKQBRC-UHFFFAOYSA-N 0 0 190.221 2.709 10 0 AFAERN C[C@@H]1CC(C)(C)c2c(O)cccc2N1 258120664 573756130 /nfs/dbraw/zinc/75/61/30/573756130.db2.gz ZZYULYYGSPGIDR-MRVPVSSYSA-N 0 0 191.274 2.874 10 0 AFAERN O[C@@H]1C=CC=Cc2c1[nH]c1ccccc21 238708862 573756189 /nfs/dbraw/zinc/75/61/89/573756189.db2.gz FPHXZOSFUJHHBI-GFCCVEGCSA-N 0 0 197.237 2.784 10 0 AFAERN COCCCC[C@H]1C[C@@H](C)CCC1=O 130980473 573756196 /nfs/dbraw/zinc/75/61/96/573756196.db2.gz AMKQDLBLNDHLPJ-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN C[C@]12CC=C3CCC[C@H](C(=O)C1)[C@@H]32 238504908 573756198 /nfs/dbraw/zinc/75/61/98/573756198.db2.gz SYPZXWQMRKEMGW-JLLWLGSASA-N 0 0 176.259 2.712 10 0 AFAERN Cc1nc2c(C)cc(C)c(N)c2s1 238499699 573756212 /nfs/dbraw/zinc/75/62/12/573756212.db2.gz BTVSMLJVLXPYIV-UHFFFAOYSA-N 0 0 192.287 2.804 10 0 AFAERN C[C@@]1(c2ccc(Cl)cc2)CC[C@@H]1O 238499815 573756221 /nfs/dbraw/zinc/75/62/21/573756221.db2.gz SHVITGVMIGLWQL-QWRGUYRKSA-N 0 0 196.677 2.752 10 0 AFAERN C=Cc1ccc(NC(C)=O)cc1Cl 238081858 573756237 /nfs/dbraw/zinc/75/62/37/573756237.db2.gz QUMLRLHKEKOPFE-UHFFFAOYSA-N 0 0 195.649 2.941 10 0 AFAERN O=Cc1nocc1C1CCCCCC1 257867986 573756411 /nfs/dbraw/zinc/75/64/11/573756411.db2.gz XLZASWGBQZMAND-UHFFFAOYSA-N 0 0 193.246 2.925 10 0 AFAERN CCn1cc(-c2cccc(C)c2)cn1 87050301 573756498 /nfs/dbraw/zinc/75/64/98/573756498.db2.gz JWBUDWHGLQGESA-UHFFFAOYSA-N 0 0 186.258 2.878 10 0 AFAERN c1c[nH]c([C@H]2CC3CCC2CC3)n1 238097909 573756502 /nfs/dbraw/zinc/75/65/02/573756502.db2.gz OBWYAUPJFXGPAN-RTBKNWGFSA-N 0 0 176.263 2.703 10 0 AFAERN CCCCc1cccc2c1NCC2 223407212 573756508 /nfs/dbraw/zinc/75/65/08/573756508.db2.gz QZKWTPDCLQGRSC-UHFFFAOYSA-N 0 0 175.275 2.997 10 0 AFAERN CC(=O)[C@H]1CC[C@@H]1c1ccccc1 238077353 573756626 /nfs/dbraw/zinc/75/66/26/573756626.db2.gz WQNMMZDHUKCFHT-VXGBXAGGSA-N 0 0 174.243 2.769 10 0 AFAERN Cc1cc(C(F)F)c(Cl)[nH]c1=O 238505532 573756714 /nfs/dbraw/zinc/75/67/14/573756714.db2.gz WFUNITWJOMPODQ-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CCN(C)c1c(C)[nH]c2ccccc12 259182633 573756824 /nfs/dbraw/zinc/75/68/24/573756824.db2.gz VGPVUINOJLRXKH-UHFFFAOYSA-N 0 0 188.274 2.932 10 0 AFAERN C/C=C1/CC[C@@H]2C(=O)CC[C@@]12C 238077146 573756861 /nfs/dbraw/zinc/75/68/61/573756861.db2.gz OIDMJERWJVUYEZ-FAWRDKLXSA-N 0 0 164.248 2.712 10 0 AFAERN O=C1CCC[C@H]1c1ncccc1Cl 238506518 573756923 /nfs/dbraw/zinc/75/69/23/573756923.db2.gz BSSQGPMSNHMTEY-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1cc([C@@H]2CCCC2=O)ccc1O 238506621 573756949 /nfs/dbraw/zinc/75/69/49/573756949.db2.gz BYFGWKDFADXOQW-JTQLQIEISA-N 0 0 190.242 2.537 10 0 AFAERN O=C1CC[C@H](c2ncccc2Cl)C1 238506674 573756960 /nfs/dbraw/zinc/75/69/60/573756960.db2.gz DAMKBSWGFRHRSO-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1csc2cnc(C3CC3)nc12 238505096 573756970 /nfs/dbraw/zinc/75/69/70/573756970.db2.gz CLKGUZRSVUZFTE-UHFFFAOYSA-N 0 0 190.271 2.877 10 0 AFAERN CC(=O)COc1cc(Cl)ccc1C 84058954 573756978 /nfs/dbraw/zinc/75/69/78/573756978.db2.gz OSJYLGYUQPWAEX-UHFFFAOYSA-N 0 0 198.649 2.616 10 0 AFAERN OCc1cccc([C@H]2CCC2(F)F)c1 258120188 573756983 /nfs/dbraw/zinc/75/69/83/573756983.db2.gz PLJNGLLSFQRBMA-SNVBAGLBSA-N 0 0 198.212 2.692 10 0 AFAERN C[C@H]1CC(C)(C)c2c(O)cccc2N1 258120669 573757002 /nfs/dbraw/zinc/75/70/02/573757002.db2.gz ZZYULYYGSPGIDR-QMMMGPOBSA-N 0 0 191.274 2.874 10 0 AFAERN c1ccc2c(c1)NCC1(CCC1)CO2 259184306 573757025 /nfs/dbraw/zinc/75/70/25/573757025.db2.gz JUPQDUILJCSOPD-UHFFFAOYSA-N 0 0 189.258 2.661 10 0 AFAERN CNc1ccc(N(C)C(C)C)cc1 259183328 573757072 /nfs/dbraw/zinc/75/70/72/573757072.db2.gz HPDJJHGYMHHWCA-UHFFFAOYSA-N 0 0 178.279 2.573 10 0 AFAERN CC(C)c1ccc(CCO)cc1Cl 257866754 573757131 /nfs/dbraw/zinc/75/71/31/573757131.db2.gz XHFZUVBHEUVPPV-UHFFFAOYSA-N 0 0 198.693 2.998 10 0 AFAERN Cc1c(Cl)n(C)c2cc(O)ccc12 257867490 573757149 /nfs/dbraw/zinc/75/71/49/573757149.db2.gz CQDNNQPXZXTEDH-UHFFFAOYSA-N 0 0 195.649 2.846 10 0 AFAERN C[C@]12CCC=CC[C@H]1C(=O)CC2 238505294 573757155 /nfs/dbraw/zinc/75/71/55/573757155.db2.gz DZAREWQQQJVIHU-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN FC(F)(F)c1cc(C2CCC2)[nH]n1 259183646 573757176 /nfs/dbraw/zinc/75/71/76/573757176.db2.gz HHMYPRNBCKRBKA-UHFFFAOYSA-N 0 0 190.168 2.696 10 0 AFAERN Cc1cc(C(F)F)c(Cl)nc1N 238505484 573757203 /nfs/dbraw/zinc/75/72/03/573757203.db2.gz QCELACIPVFXNKI-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1cccc(SC2(CO)CC2)c1 259182014 573757206 /nfs/dbraw/zinc/75/72/06/573757206.db2.gz IMYPLWAKTVXIBJ-UHFFFAOYSA-N 0 0 194.299 2.612 10 0 AFAERN CC(C)Cc1nc(C=O)[nH]c1C(C)C 257867336 573757284 /nfs/dbraw/zinc/75/72/84/573757284.db2.gz SIGDQWZMKWDHEW-UHFFFAOYSA-N 0 0 194.278 2.544 10 0 AFAERN OCc1cccc([C@@H]2CCC2(F)F)c1 258120185 573757315 /nfs/dbraw/zinc/75/73/15/573757315.db2.gz PLJNGLLSFQRBMA-JTQLQIEISA-N 0 0 198.212 2.692 10 0 AFAERN c1c[nH]c([C@@H]2CC3CCC2CC3)n1 238097941 573757340 /nfs/dbraw/zinc/75/73/40/573757340.db2.gz OBWYAUPJFXGPAN-UDNWOFFPSA-N 0 0 176.263 2.703 10 0 AFAERN Cc1cnc(C(F)F)c(F)c1F 238506139 573757348 /nfs/dbraw/zinc/75/73/48/573757348.db2.gz HNYPIYQWWGTVBX-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN CC(=O)[C@H]1CC[C@@H]1C(C)(C)C 238077272 573757355 /nfs/dbraw/zinc/75/73/55/573757355.db2.gz RYGUKPSYKPQGKZ-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CCn1cc(-c2ccc(F)cc2)cn1 87050328 573757462 /nfs/dbraw/zinc/75/74/62/573757462.db2.gz AALUUTVRYMYTSR-UHFFFAOYSA-N 0 0 190.221 2.709 10 0 AFAERN O=C1CC[C@@H](c2cnccc2Cl)C1 238508487 573768028 /nfs/dbraw/zinc/76/80/28/573768028.db2.gz AZGQNANBWFZSGJ-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1cc(C(F)F)c(N)c(Cl)n1 238508483 573768048 /nfs/dbraw/zinc/76/80/48/573768048.db2.gz SQPOKXUFAFHGSD-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Clc1ccc2c(c1)[C@@H]1C[C@@H]1N2 257870728 573768168 /nfs/dbraw/zinc/76/81/68/573768168.db2.gz FDCZXEZSMMMUIT-CBAPKCEASA-N 0 0 165.623 2.621 10 0 AFAERN CC[C@H](O)[C@@H]1CCC[C@@H](CC)C1 122561291 573768289 /nfs/dbraw/zinc/76/82/89/573768289.db2.gz CQPJANURLUDNPL-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN Clc1ccc2c(c1)[C@H]1C[C@H]1N2 257870734 573768294 /nfs/dbraw/zinc/76/82/94/573768294.db2.gz FDCZXEZSMMMUIT-VXNVDRBHSA-N 0 0 165.623 2.621 10 0 AFAERN c1cc(OC2CC2)c2cc[nH]c2c1 238092641 573768300 /nfs/dbraw/zinc/76/83/00/573768300.db2.gz GDDOODDIQDXBIG-UHFFFAOYSA-N 0 0 173.215 2.709 10 0 AFAERN Cc1c(O)cc2cccc(C)c2c1O 238509598 573768301 /nfs/dbraw/zinc/76/83/01/573768301.db2.gz CPWAHFMIARKIKU-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN CCCC[C@H](CC)[C@@H](O)C1=COCC1 308710707 573768303 /nfs/dbraw/zinc/76/83/03/573768303.db2.gz YPPZNMOSZFXPFX-CMPLNLGQSA-N 0 0 198.306 2.868 10 0 AFAERN Fc1ccc2c(c1)C[C@@H](C1CCC1)N2 108340691 573768312 /nfs/dbraw/zinc/76/83/12/573768312.db2.gz GBRRXBFONAVBFU-LBPRGKRZSA-N 0 0 191.249 2.962 10 0 AFAERN Cc1c[nH]c2ccc(C(C)(C)O)cc12 258124638 573768318 /nfs/dbraw/zinc/76/83/18/573768318.db2.gz PHGKEPKUTJSHKP-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN CCCN[C@@H](C=C(C)C)C(F)(F)F 131145030 573768319 /nfs/dbraw/zinc/76/83/19/573768319.db2.gz ZZAXKQSIICAWBJ-QMMMGPOBSA-N 0 0 195.228 2.883 10 0 AFAERN Nc1ccc(-c2ccsc2N)cc1 257870343 573768350 /nfs/dbraw/zinc/76/83/50/573768350.db2.gz ALLNGZMILIJDQR-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]2C=CC[C@H](C1)C2 238092066 573768372 /nfs/dbraw/zinc/76/83/72/573768372.db2.gz REOSYUVIORPZPL-OUAUKWLOSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccc2occ(C(C)(C)O)c2c1 257872689 573768410 /nfs/dbraw/zinc/76/84/10/573768410.db2.gz IMPKVAAAZAKUML-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN Cc1ccc2[nH]c(C)c(CO)c2c1C 238508993 573768487 /nfs/dbraw/zinc/76/84/87/573768487.db2.gz TYZOXRYFKZICAP-UHFFFAOYSA-N 0 0 189.258 2.585 10 0 AFAERN CCCC(CCC)[C@H](O)C1=COCC1 308713205 573768496 /nfs/dbraw/zinc/76/84/96/573768496.db2.gz ZXGRDOBIYJYMEF-LBPRGKRZSA-N 0 0 198.306 2.868 10 0 AFAERN CC[C@@H](C)CC(=O)c1ncccc1F 131134574 573768557 /nfs/dbraw/zinc/76/85/57/573768557.db2.gz TWKNKVYATLJYID-MRVPVSSYSA-N 0 0 195.237 2.840 10 0 AFAERN CC(C)C[C@H](CC1(C)CCCC1)NN 308713104 573768562 /nfs/dbraw/zinc/76/85/62/573768562.db2.gz ZVCUWKQMHSPDGT-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN CCCN(CC1CC1)C(=O)OC(C)C 127072454 573768573 /nfs/dbraw/zinc/76/85/73/573768573.db2.gz ZVXGBEIOFSMOGM-UHFFFAOYSA-N 0 0 199.294 2.653 10 0 AFAERN Clc1ccncc1-c1cncs1 238509005 573768626 /nfs/dbraw/zinc/76/86/26/573768626.db2.gz KQCYIXNBMHEADF-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Clc1cccc2c1NCCCO2 259177668 573768660 /nfs/dbraw/zinc/76/86/60/573768660.db2.gz JMVBTJXJHQOODS-UHFFFAOYSA-N 0 0 183.638 2.534 10 0 AFAERN CC(=O)[C@H](C)Cc1ccncc1Cl 84085446 573768688 /nfs/dbraw/zinc/76/86/88/573768688.db2.gz ICOJYZKRFDXUOM-SSDOTTSWSA-N 0 0 197.665 2.503 10 0 AFAERN CCCc1ccccc1C1(CO)CC1 257871893 573768711 /nfs/dbraw/zinc/76/87/11/573768711.db2.gz YKLHVDMTJGLCNN-UHFFFAOYSA-N 0 0 190.286 2.663 10 0 AFAERN CC(C)S[C@@H]1CCCCC[C@H]1O 84083110 573769350 /nfs/dbraw/zinc/76/93/50/573769350.db2.gz YLJKZUASEADSSV-NXEZZACHSA-N 0 0 188.336 2.822 10 0 AFAERN CCn1ccc2c([C@@H](C)O)cccc21 257872660 573769401 /nfs/dbraw/zinc/76/94/01/573769401.db2.gz IMFFWIVPDXZGRV-SECBINFHSA-N 0 0 189.258 2.715 10 0 AFAERN CCCN[C@H](C=C(C)C)C(F)(F)F 131145220 573769451 /nfs/dbraw/zinc/76/94/51/573769451.db2.gz ZZAXKQSIICAWBJ-MRVPVSSYSA-N 0 0 195.228 2.883 10 0 AFAERN CC(=O)Nc1ccccc2cccc1-2 238096176 573769612 /nfs/dbraw/zinc/76/96/12/573769612.db2.gz ZZDJWDNEXHVKRO-UHFFFAOYSA-N 0 0 185.226 2.750 10 0 AFAERN Cc1cc(C(F)F)c(N)nc1Cl 238509041 573769661 /nfs/dbraw/zinc/76/96/61/573769661.db2.gz AUWQBZWVLZSHDF-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCCC[C@H](CC)[C@H](O)C1=COCC1 308710708 573769675 /nfs/dbraw/zinc/76/96/75/573769675.db2.gz YPPZNMOSZFXPFX-JQWIXIFHSA-N 0 0 198.306 2.868 10 0 AFAERN CC(C)S[C@H]1CCCCC[C@@H]1O 84083109 573769678 /nfs/dbraw/zinc/76/96/78/573769678.db2.gz YLJKZUASEADSSV-UWVGGRQHSA-N 0 0 188.336 2.822 10 0 AFAERN Fc1ccccc1[C@@]12CC[C@@H](CO1)C2 258124598 573769724 /nfs/dbraw/zinc/76/97/24/573769724.db2.gz KDSPUFSGFSQAIG-SKDRFNHKSA-N 0 0 192.233 2.851 10 0 AFAERN Cc1ccc2[nH]c(=S)[nH]c2c1Cl 238510016 573769725 /nfs/dbraw/zinc/76/97/25/573769725.db2.gz IJYCRNUIABCGPW-UHFFFAOYSA-N 0 0 198.678 2.813 10 0 AFAERN C[S@](=O)c1ccc2sccc2c1 238509478 573769809 /nfs/dbraw/zinc/76/98/09/573769809.db2.gz MSHRIXVACRTLFZ-LBPRGKRZSA-N 0 0 196.296 2.639 10 0 AFAERN Cc1cc2c([C@H](C)O)cccc2n1C 258124636 573769866 /nfs/dbraw/zinc/76/98/66/573769866.db2.gz PHGKDUBFXXBHJV-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN C[C@](F)(CO)c1ccccc1Cl 257870475 573769952 /nfs/dbraw/zinc/76/99/52/573769952.db2.gz YAGIFJPWLSLOQL-VIFPVBQESA-N 0 0 188.629 2.517 10 0 AFAERN c1cc2c(cn1)NC1(CCCCC1)C2 238101783 573773270 /nfs/dbraw/zinc/77/32/70/573773270.db2.gz GFRQIKHLFJRVAD-UHFFFAOYSA-N 0 0 188.274 2.753 10 0 AFAERN CCn1nc(Cl)c2ccc(F)cc21 257874961 573773312 /nfs/dbraw/zinc/77/33/12/573773312.db2.gz QYYPMMGBLGWEOF-UHFFFAOYSA-N 0 0 198.628 2.849 10 0 AFAERN C=CSC[C@@H](O)c1ccccc1 238712061 573773477 /nfs/dbraw/zinc/77/34/77/573773477.db2.gz LTRQMIRHHAOUEB-SNVBAGLBSA-N 0 0 180.272 2.597 10 0 AFAERN Cc1c[nH]c(Oc2ccc(F)cc2)n1 257874856 573773493 /nfs/dbraw/zinc/77/34/93/573773493.db2.gz IZDQWRWIDMBLEF-UHFFFAOYSA-N 0 0 192.193 2.650 10 0 AFAERN Cc1ccc(C)c([C@]2(CO)C[C@H]2C)c1 258934900 573773498 /nfs/dbraw/zinc/77/34/98/573773498.db2.gz BJVYTWUEDYLQFL-YPMHNXCESA-N 0 0 190.286 2.573 10 0 AFAERN Cc1ccc([C@@H]2CCC(=O)C2)c(O)c1 238510879 573773537 /nfs/dbraw/zinc/77/35/37/573773537.db2.gz PONPDAFDAOTCNY-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN CC(=O)C1(C(C)C)C=CCC=C1 238101836 573773652 /nfs/dbraw/zinc/77/36/52/573773652.db2.gz LPOOAKFIAOYSQA-UHFFFAOYSA-N 0 0 164.248 2.734 10 0 AFAERN C[C@H](O)c1csc2cccc(O)c12 257875265 573773674 /nfs/dbraw/zinc/77/36/74/573773674.db2.gz IXCCAWILJICVBJ-LURJTMIESA-N 0 0 194.255 2.660 10 0 AFAERN Cc1cc(C(F)F)cc(Cl)n1 238511524 573773788 /nfs/dbraw/zinc/77/37/88/573773788.db2.gz JCLLIDLEJGCTIR-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN Cc1nc(C)c(CF)cc1CF 238511497 573773973 /nfs/dbraw/zinc/77/39/73/573773973.db2.gz RYEXXSVMYXKHKP-UHFFFAOYSA-N 0 0 171.190 2.637 10 0 AFAERN C[C@@H](F)c1ccc(C(C)(C)CO)cc1 258126384 573774996 /nfs/dbraw/zinc/77/49/96/573774996.db2.gz QYKZJMPQCYUDJR-SECBINFHSA-N 0 0 196.265 2.987 10 0 AFAERN CC(=O)[C@]1(C)CC2CCC1CC2 238100040 573775033 /nfs/dbraw/zinc/77/50/33/573775033.db2.gz JSIPBEBICXBIHW-ILDUYXDCSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H](F)c1ccc(C(C)(C)CO)cc1 258126387 573775075 /nfs/dbraw/zinc/77/50/75/573775075.db2.gz QYKZJMPQCYUDJR-VIFPVBQESA-N 0 0 196.265 2.987 10 0 AFAERN CC(=O)[C@]1(C)C=CCC1(C)C 238099765 573775160 /nfs/dbraw/zinc/77/51/60/573775160.db2.gz LZVRKTZJHJYYBN-JTQLQIEISA-N 0 0 152.237 2.568 10 0 AFAERN CC(C)Cc1ccccc1[C@H](C)CO 257875316 573775287 /nfs/dbraw/zinc/77/52/87/573775287.db2.gz ZAZUPDPFWNAGQD-LLVKDONJSA-N 0 0 192.302 2.981 10 0 AFAERN Clc1ccc(N[C@@H]2CCCO2)cc1 238510203 573775360 /nfs/dbraw/zinc/77/53/60/573775360.db2.gz GJDIZZQYGLKEJZ-JTQLQIEISA-N 0 0 197.665 2.888 10 0 AFAERN CS[C@@H](C)CNc1cccc(C)n1 122623574 573775403 /nfs/dbraw/zinc/77/54/03/573775403.db2.gz LQKHOWIKOHWBNQ-VIFPVBQESA-N 0 0 196.319 2.553 10 0 AFAERN CC(C)c1cc(F)cc(CCCO)c1 258126355 573775404 /nfs/dbraw/zinc/77/54/04/573775404.db2.gz QXQHPQQTBFVTBY-UHFFFAOYSA-N 0 0 196.265 2.874 10 0 AFAERN CCC(CC)[C@H](O)c1ncccc1F 131174676 573775423 /nfs/dbraw/zinc/77/54/23/573775423.db2.gz UEEZOKQMAZEFJR-NSHDSACASA-N 0 0 197.253 2.690 10 0 AFAERN CC(=O)c1csc2cccc(O)c12 257875233 573775462 /nfs/dbraw/zinc/77/54/62/573775462.db2.gz IWPQHJOECPWVBZ-UHFFFAOYSA-N 0 0 192.239 2.810 10 0 AFAERN CC(C)C1(C(C)C)CCC[C@@H]1O 238101976 573775474 /nfs/dbraw/zinc/77/54/74/573775474.db2.gz XXCDPNUKFIYMOD-JTQLQIEISA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc([C@@H]2CCC(=O)C2)cc1O 238511014 573775475 /nfs/dbraw/zinc/77/54/75/573775475.db2.gz HAECEQWPCFVWIG-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN Clc1ccc2nc3c[nH][nH]c-3c2c1 238511537 573775498 /nfs/dbraw/zinc/77/54/98/573775498.db2.gz VTNITWNDVNCKPM-UHFFFAOYSA-N 0 0 191.621 2.698 10 0 AFAERN CSC[C@@H]1CNc2ccccc2C1 258126379 573775537 /nfs/dbraw/zinc/77/55/37/573775537.db2.gz LYYVXFLLSITHJO-VIFPVBQESA-N 0 0 193.315 2.634 10 0 AFAERN C[C@H]1Oc2ccccc2NC1(C)C 238510560 573775584 /nfs/dbraw/zinc/77/55/84/573775584.db2.gz KIFUWWFMCSYUIR-MRVPVSSYSA-N 0 0 177.247 2.658 10 0 AFAERN Cc1ccsc1-c1ncccc1N 122617083 573775656 /nfs/dbraw/zinc/77/56/56/573775656.db2.gz BYKLLMCZNYMSPH-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCC[C@H](C)COC(=O)[C@@H]1C[C@H]1C 308436315 573775666 /nfs/dbraw/zinc/77/56/66/573775666.db2.gz WQDBODPLPKAGNE-IVZWLZJFSA-N 0 0 184.279 2.622 10 0 AFAERN Clc1ccc(N[C@H]2CCCO2)cc1 238510522 573775697 /nfs/dbraw/zinc/77/56/97/573775697.db2.gz GJDIZZQYGLKEJZ-SNVBAGLBSA-N 0 0 197.665 2.888 10 0 AFAERN CCNc1nc(-c2ccc[nH]2)cs1 84147584 573781928 /nfs/dbraw/zinc/78/19/28/573781928.db2.gz ZWVWKIKKLKVGAB-UHFFFAOYSA-N 0 0 193.275 2.570 10 0 AFAERN Cc1ccc(C(C)C)c2c1[C@H](O)CO2 84150636 573781962 /nfs/dbraw/zinc/78/19/62/573781962.db2.gz QXXZMCIRFDBGMF-SNVBAGLBSA-N 0 0 192.258 2.544 10 0 AFAERN CC(C)=CN(C#N)C=C(C)C 100230905 573781965 /nfs/dbraw/zinc/78/19/65/573781965.db2.gz JGRVCJGCHFUIFH-UHFFFAOYSA-N 0 0 150.225 2.617 10 0 AFAERN CC(=O)c1c(C)ccc(F)c1Cl 108371132 573782060 /nfs/dbraw/zinc/78/20/60/573782060.db2.gz ROUJXLZWVPBWJE-UHFFFAOYSA-N 0 0 186.613 2.990 10 0 AFAERN CC[C@H]1Oc2c(C)ccc(C)c2[C@@H]1O 84150216 573782084 /nfs/dbraw/zinc/78/20/84/573782084.db2.gz XDQAHCUSOBYFFA-MWLCHTKSSA-N 0 0 192.258 2.508 10 0 AFAERN CC(C)C1=CC[C@@]2(C)C(=O)CC[C@H]12 238110221 573782113 /nfs/dbraw/zinc/78/21/13/573782113.db2.gz SSTVCCVOLVPYCA-ZYHUDNBSSA-N 0 0 178.275 2.958 10 0 AFAERN COC(OC)c1cc(C)ccc1C 258937822 573782121 /nfs/dbraw/zinc/78/21/21/573782121.db2.gz XYKCWBXSFHQUJF-UHFFFAOYSA-N 0 0 180.247 2.595 10 0 AFAERN CC(=O)C1N=C(C)C(C)=C1C 100219705 573782159 /nfs/dbraw/zinc/78/21/59/573782159.db2.gz BDNVHEXTDSGXRQ-HJWRWDBZSA-N 0 0 151.209 2.587 10 0 AFAERN CC[C@H](C)c1cccc2c1OC[C@@H]2O 84150505 573782205 /nfs/dbraw/zinc/78/22/05/573782205.db2.gz SBCWLVRVIPVYBE-KWQFWETISA-N 0 0 192.258 2.626 10 0 AFAERN CC[C@@H]1Oc2c(ccc(C)c2C)[C@H]1O 84150247 573782310 /nfs/dbraw/zinc/78/23/10/573782310.db2.gz WEHIIOAZTLKWEK-WDEREUQCSA-N 0 0 192.258 2.508 10 0 AFAERN C[C@H]1C[C@@H](O)C[C@@H]2CCCC[C@@]12C 238503335 573782332 /nfs/dbraw/zinc/78/23/32/573782332.db2.gz WBLFVBDOCSVBMP-YFKTTZPYSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@H]1Oc2c(C)ccc(C)c2[C@H]1O 84150214 573782397 /nfs/dbraw/zinc/78/23/97/573782397.db2.gz XDQAHCUSOBYFFA-KOLCDFICSA-N 0 0 192.258 2.508 10 0 AFAERN Cc1cnc(C(F)F)c(CF)c1 238502617 573782400 /nfs/dbraw/zinc/78/24/00/573782400.db2.gz UEPFZEMFAOQNGP-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CCC(F)(F)c1ccc(N)cc1 258937640 573782409 /nfs/dbraw/zinc/78/24/09/573782409.db2.gz BVHDAXOSHHFEMK-UHFFFAOYSA-N 0 0 171.190 2.771 10 0 AFAERN CC1(C(=O)CCC2CCOCC2)CC1 308739893 573782463 /nfs/dbraw/zinc/78/24/63/573782463.db2.gz NVYFYYVXEVHKCY-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN CC[C@@]1(C)CC(=O)c2ccccc2N1 108371980 573782472 /nfs/dbraw/zinc/78/24/72/573782472.db2.gz FAYBRYYLBIIHDM-LBPRGKRZSA-N 0 0 189.258 2.854 10 0 AFAERN c1ccc2c(c1)CC[C@@]21CCCO1 238112531 573782503 /nfs/dbraw/zinc/78/25/03/573782503.db2.gz PNPLLMIVHQZZFA-LBPRGKRZSA-N 0 0 174.243 2.639 10 0 AFAERN CC(=O)[C@H]1CCCc2ccc(F)cc21 108373062 573782533 /nfs/dbraw/zinc/78/25/33/573782533.db2.gz PCTIBQJKEOJDJU-LLVKDONJSA-N 0 0 192.233 2.835 10 0 AFAERN CC(=O)Nc1cc2sccc2s1 238112148 573782539 /nfs/dbraw/zinc/78/25/39/573782539.db2.gz AQBOWRSRBZZSLH-UHFFFAOYSA-N 0 0 197.284 2.921 10 0 AFAERN c1cc2c3c(c1)NCCC[C@H]3CC2 238112221 573782593 /nfs/dbraw/zinc/78/25/93/573782593.db2.gz CKTCNHDJIHPPNU-JTQLQIEISA-N 0 0 173.259 2.922 10 0 AFAERN CC[C@H]1Oc2c(Cl)cccc2[C@H]1O 84150080 573782609 /nfs/dbraw/zinc/78/26/09/573782609.db2.gz XZFAHLULQDKTBG-RKDXNWHRSA-N 0 0 198.649 2.544 10 0 AFAERN Cc1ccc2ccc(CCO)cc2c1 108370804 573782630 /nfs/dbraw/zinc/78/26/30/573782630.db2.gz QZPGEGZYZXBLRN-UHFFFAOYSA-N 0 0 186.254 2.683 10 0 AFAERN CC(C)C1=CC[C@]2(C)C(=O)CC[C@@H]12 238109592 573782635 /nfs/dbraw/zinc/78/26/35/573782635.db2.gz SSTVCCVOLVPYCA-JQWIXIFHSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@H](OCC1CC1)c1cccc(N)c1 40908464 573782658 /nfs/dbraw/zinc/78/26/58/573782658.db2.gz RJSPKIHEVWBBIC-VIFPVBQESA-N 0 0 191.274 2.756 10 0 AFAERN CC[C@@H]1Oc2c(Cl)cccc2[C@H]1O 84150081 573782666 /nfs/dbraw/zinc/78/26/66/573782666.db2.gz XZFAHLULQDKTBG-DTWKUNHWSA-N 0 0 198.649 2.544 10 0 AFAERN CC(C)C1=CC[C@H](CCO)CC1 238109944 573783862 /nfs/dbraw/zinc/78/38/62/573783862.db2.gz SNDKDDQIIOJKKE-JTQLQIEISA-N 0 0 168.280 2.751 10 0 AFAERN C[C@]12CCC(=O)C[C@@]1(C)CC2 238502844 573783890 /nfs/dbraw/zinc/78/38/90/573783890.db2.gz QPXADPSHDDFNNL-NXEZZACHSA-N 0 0 152.237 2.546 10 0 AFAERN CC(=O)c1ccc2c(O)cccc2c1 108370730 573783943 /nfs/dbraw/zinc/78/39/43/573783943.db2.gz UBXGTYLESGCDBU-UHFFFAOYSA-N 0 0 186.210 2.748 10 0 AFAERN CC(=O)c1cc(F)ccc1OC1CC1 108373722 573783973 /nfs/dbraw/zinc/78/39/73/573783973.db2.gz VQBXHAOVJXNGOC-UHFFFAOYSA-N 0 0 194.205 2.570 10 0 AFAERN CC(=O)[C@H]1CCc2cccc(F)c2C1 108373102 573783988 /nfs/dbraw/zinc/78/39/88/573783988.db2.gz OBMOTMGCLGMIRM-JTQLQIEISA-N 0 0 192.233 2.520 10 0 AFAERN CC(=O)Nc1cc2ccsc2s1 238111728 573784075 /nfs/dbraw/zinc/78/40/75/573784075.db2.gz LQLAKDLZEOPTAO-UHFFFAOYSA-N 0 0 197.284 2.921 10 0 AFAERN CC1=C([C@@H](C)O)[C@H](C)C=C1C(C)C 238110477 573784081 /nfs/dbraw/zinc/78/40/81/573784081.db2.gz WGRKKWMEAQTENJ-PSASIEDQSA-N 0 0 180.291 2.916 10 0 AFAERN CC(=O)[C@@H]1CCCc2cc(F)ccc21 108373042 573784123 /nfs/dbraw/zinc/78/41/23/573784123.db2.gz AGFWIYKABJPTRV-NSHDSACASA-N 0 0 192.233 2.835 10 0 AFAERN CC(=O)[C@@H]1CCc2cccc(F)c2C1 108373100 573784128 /nfs/dbraw/zinc/78/41/28/573784128.db2.gz OBMOTMGCLGMIRM-SNVBAGLBSA-N 0 0 192.233 2.520 10 0 AFAERN C[C@@]1(c2ccccc2Cl)CC[C@@H]1O 238503746 573784162 /nfs/dbraw/zinc/78/41/62/573784162.db2.gz SMJMAXIPWZBSKY-QWRGUYRKSA-N 0 0 196.677 2.752 10 0 AFAERN CC(=O)c1cc(C)ccc1OC1CC1 108372242 573784234 /nfs/dbraw/zinc/78/42/34/573784234.db2.gz IIIINOAVYJLLOS-UHFFFAOYSA-N 0 0 190.242 2.739 10 0 AFAERN C[C@H](O)[C@H](C)Nc1cccc(Cl)c1 87126751 573784317 /nfs/dbraw/zinc/78/43/17/573784317.db2.gz HZQHKIAQZFOQLQ-YUMQZZPRSA-N 0 0 199.681 2.521 10 0 AFAERN CC(C)=C(C)[C@@H](O)Cc1ccccc1 238112831 573784326 /nfs/dbraw/zinc/78/43/26/573784326.db2.gz HGIXOOVJAKAMHE-ZDUSSCGKSA-N 0 0 190.286 2.946 10 0 AFAERN c1ccc2c(c1)CC[C@]21CCCO1 238112636 573784335 /nfs/dbraw/zinc/78/43/35/573784335.db2.gz PNPLLMIVHQZZFA-GFCCVEGCSA-N 0 0 174.243 2.639 10 0 AFAERN Clc1ccccc1[C@@H]1CC=CC[NH2+]1 238502937 573784347 /nfs/dbraw/zinc/78/43/47/573784347.db2.gz XBFMZHLDOSQYAF-NSHDSACASA-N 0 0 193.677 2.931 10 0 AFAERN CC(=O)[C@@H]1CCCc2ccc(F)cc21 108373059 573784392 /nfs/dbraw/zinc/78/43/92/573784392.db2.gz PCTIBQJKEOJDJU-NSHDSACASA-N 0 0 192.233 2.835 10 0 AFAERN C[C@H](Nc1ccc(Cl)cc1)[C@@H](C)O 87126766 573784439 /nfs/dbraw/zinc/78/44/39/573784439.db2.gz WFRPCSYKZBXPHF-JGVFFNPUSA-N 0 0 199.681 2.521 10 0 AFAERN CC(=O)[C@@H]1CCCc2c(F)cccc21 108373020 573783848 /nfs/dbraw/zinc/78/38/48/573783848.db2.gz OAHYVKOAGCEBTQ-VIFPVBQESA-N 0 0 192.233 2.835 10 0 AFAERN O=C(CCC1CC1)c1ncccc1F 131105037 573787123 /nfs/dbraw/zinc/78/71/23/573787123.db2.gz CIFYGFLKVPQISS-UHFFFAOYSA-N 0 0 193.221 2.594 10 0 AFAERN CCC(CC)n1nc(C)c(C=O)c1C 40931589 573787153 /nfs/dbraw/zinc/78/71/53/573787153.db2.gz SWKKFDOAYLPXOZ-UHFFFAOYSA-N 0 0 194.278 2.674 10 0 AFAERN CC/C=C(/C)C(=O)OC1(C)CCC1 308434343 573787185 /nfs/dbraw/zinc/78/71/85/573787185.db2.gz VHNBLZPLZGQTAX-TWGQIWQCSA-N 0 0 182.263 2.829 10 0 AFAERN CC(=O)C[C@@H](O)C1CCCCCCC1 238113935 573787195 /nfs/dbraw/zinc/78/71/95/573787195.db2.gz XIOKXQRWJDJIGB-GFCCVEGCSA-N 0 0 198.306 2.687 10 0 AFAERN C[C@H](O)[C@@H](C)Nc1ccccc1Cl 87126858 573787335 /nfs/dbraw/zinc/78/73/35/573787335.db2.gz RNGIBTITPXDDPD-SFYZADRCSA-N 0 0 199.681 2.521 10 0 AFAERN C[C@]1(c2ccccc2Cl)CC[NH2+]1 84178939 573787472 /nfs/dbraw/zinc/78/74/72/573787472.db2.gz OLFPKUGPATYCDG-SNVBAGLBSA-N 0 0 181.666 2.549 10 0 AFAERN CC(C)=C(CCO)c1ccccc1 238114666 573787504 /nfs/dbraw/zinc/78/75/04/573787504.db2.gz XTEQVQFLJKVOGJ-UHFFFAOYSA-N 0 0 176.259 2.862 10 0 AFAERN CC(C)(C)Nc1ccccc1C=O 238113783 573787550 /nfs/dbraw/zinc/78/75/50/573787550.db2.gz LOHPECXRRFQULN-UHFFFAOYSA-N 0 0 177.247 2.710 10 0 AFAERN C=CC(CCC(C)=O)=C(C)C 238114186 573787616 /nfs/dbraw/zinc/78/76/16/573787616.db2.gz AFASMTPPALREBL-UHFFFAOYSA-N 0 0 152.237 2.878 10 0 AFAERN C/C=C(\C)CC/C=C(\C)CO 33839568 573787656 /nfs/dbraw/zinc/78/76/56/573787656.db2.gz YBMZLRMHVXVHJG-SXFWLWNESA-N 0 0 154.253 2.671 10 0 AFAERN C[C@H](O)[C@H](C)Nc1ccc(Cl)cc1 87126772 573787717 /nfs/dbraw/zinc/78/77/17/573787717.db2.gz WFRPCSYKZBXPHF-YUMQZZPRSA-N 0 0 199.681 2.521 10 0 AFAERN CCc1ccsc1C(=O)OC1CC1 308433849 573787771 /nfs/dbraw/zinc/78/77/71/573787771.db2.gz VAGQNJCFRIMCHT-UHFFFAOYSA-N 0 0 196.271 2.630 10 0 AFAERN C=Cc1c(O)ccc2nc(C)ccc12 238517549 573787785 /nfs/dbraw/zinc/78/77/85/573787785.db2.gz HPFNOONWEYZCQC-UHFFFAOYSA-N 0 0 185.226 2.892 10 0 AFAERN Cc1ccc(-c2cnc(Cl)o2)o1 258425375 573787824 /nfs/dbraw/zinc/78/78/24/573787824.db2.gz DCHUZKJMNCIECF-UHFFFAOYSA-N 0 0 183.594 2.896 10 0 AFAERN CC(=O)CC[C@H]1C(C)(C)[C@@]1(C)F 238104894 573794162 /nfs/dbraw/zinc/79/41/62/573794162.db2.gz RXAMARYZHLVRMA-WPRPVWTQSA-N 0 0 172.243 2.740 10 0 AFAERN CC(=O)[C@]1(Cl)CCCC=C1C 238103024 573794189 /nfs/dbraw/zinc/79/41/89/573794189.db2.gz YUYXVYRLDRRCIW-VIFPVBQESA-N 0 0 172.655 2.683 10 0 AFAERN CCCCC1CCC([C@H](C)NN)CC1 127148174 573794199 /nfs/dbraw/zinc/79/41/99/573794199.db2.gz QGGCBQPDMOTUQZ-UNXYVOJBSA-N 0 0 198.354 2.835 10 0 AFAERN CCC[C@@H]1CCC[C@H](C(=O)OC)C1 259569239 573794223 /nfs/dbraw/zinc/79/42/23/573794223.db2.gz JDOLHDUMCAZIFL-ZJUUUORDSA-N 0 0 184.279 2.766 10 0 AFAERN Cc1ccc(C2(CO)CC2)c(C)c1C 259189412 573794259 /nfs/dbraw/zinc/79/42/59/573794259.db2.gz KGZQLXYQSKJBEV-UHFFFAOYSA-N 0 0 190.286 2.636 10 0 AFAERN CC(C)(C)[C@@H]1CC(=O)[C@@H]2C=C[C@@H]2C1 238103593 573794294 /nfs/dbraw/zinc/79/42/94/573794294.db2.gz LHXJVFBGDHYBAR-KXUCPTDWSA-N 0 0 178.275 2.814 10 0 AFAERN c1cc2cc(c1)OCCCCCN2 238104780 573794398 /nfs/dbraw/zinc/79/43/98/573794398.db2.gz IEINMJUSEBKXGE-UHFFFAOYSA-N 0 0 177.247 2.661 10 0 AFAERN CC(C)c1nnc2cc(Cl)ccn12 258426678 573794449 /nfs/dbraw/zinc/79/44/49/573794449.db2.gz WAHQEFVMTCDQFI-UHFFFAOYSA-N 0 0 195.653 2.506 10 0 AFAERN O=C1CCC[C@@H]1c1ccc(Cl)cn1 238520617 573794450 /nfs/dbraw/zinc/79/44/50/573794450.db2.gz LNNQRIIDYIQMFW-MRVPVSSYSA-N 0 0 195.649 2.572 10 0 AFAERN C1=CCOC2(CCCCCC2)OC1 238103205 573795559 /nfs/dbraw/zinc/79/55/59/573795559.db2.gz CNKMKDQLDZTNTJ-UHFFFAOYSA-N 0 0 182.263 2.640 10 0 AFAERN Cc1ccccc1S[C@@H](C)[C@@H](C)O 87139895 573794839 /nfs/dbraw/zinc/79/48/39/573794839.db2.gz ZRIXQEQPAWNSMY-ZJUUUORDSA-N 0 0 196.315 2.856 10 0 AFAERN CC(C)(C)[C@@H]1CC(=O)[C@H]2C=C[C@@H]2C1 238103567 573794854 /nfs/dbraw/zinc/79/48/54/573794854.db2.gz LHXJVFBGDHYBAR-UTLUCORTSA-N 0 0 178.275 2.814 10 0 AFAERN CSCCC[C@H]1CCC(=O)[C@H]1C 131234788 573794871 /nfs/dbraw/zinc/79/48/71/573794871.db2.gz GWVRQXLKKFFJOW-IUCAKERBSA-N 0 0 186.320 2.745 10 0 AFAERN C=CNc1nc2ccccc2n1C=C 238102492 573795100 /nfs/dbraw/zinc/79/51/00/573795100.db2.gz WNMNFOLYZGUERZ-UHFFFAOYSA-N 0 0 185.230 2.692 10 0 AFAERN C=CS[C@@H]1NCCc2ccccc21 238104885 573795128 /nfs/dbraw/zinc/79/51/28/573795128.db2.gz AKMMULFLEJGTED-NSHDSACASA-N 0 0 191.299 2.708 10 0 AFAERN Nc1cc(O)c2cccc(Cl)c2c1 257878363 573795133 /nfs/dbraw/zinc/79/51/33/573795133.db2.gz VADJXPWOHVCICF-UHFFFAOYSA-N 0 0 193.633 2.781 10 0 AFAERN Cc1cc([C@@H](C)[C@H](C)O)ccc1F 87142210 573795219 /nfs/dbraw/zinc/79/52/19/573795219.db2.gz FISNTVIVEXDECX-IUCAKERBSA-N 0 0 182.238 2.618 10 0 AFAERN CC(=O)CC[C@H]1C(C)(C)C1(F)F 238104871 573795250 /nfs/dbraw/zinc/79/52/50/573795250.db2.gz BLPYQCYQRQNTSU-ZETCQYMHSA-N 0 0 176.206 2.647 10 0 AFAERN Cc1cc(C(F)F)[nH]c(=O)c1Cl 238520400 573795310 /nfs/dbraw/zinc/79/53/10/573795310.db2.gz HWVPOZJOYKDHOM-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CCC[C@H](C)CNc1cc(C)nn1C 308730938 573795430 /nfs/dbraw/zinc/79/54/30/573795430.db2.gz JJFSXGABGKPENZ-VIFPVBQESA-N 0 0 195.310 2.577 10 0 AFAERN Cc1ccc2c(Cl)[nH]nc2c1F 238521059 573795539 /nfs/dbraw/zinc/79/55/39/573795539.db2.gz HNCNPTJAZRUREZ-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN Cc1ccc2c(CO)c(C)[nH]c2c1C 238520191 573795567 /nfs/dbraw/zinc/79/55/67/573795567.db2.gz GDWKRXWBTNOELC-UHFFFAOYSA-N 0 0 189.258 2.585 10 0 AFAERN O=C(c1occ2ccccc12)C(F)F 238520339 573795670 /nfs/dbraw/zinc/79/56/70/573795670.db2.gz BGQXFFVEMFHCMU-UHFFFAOYSA-N 0 0 196.152 2.881 10 0 AFAERN CSCCC[C@H](C)CC(C)=O 131228320 573795676 /nfs/dbraw/zinc/79/56/76/573795676.db2.gz KCDUOQJQFQTNBN-QMMMGPOBSA-N 0 0 174.309 2.745 10 0 AFAERN CC(C)(C)[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 238104689 573795688 /nfs/dbraw/zinc/79/56/88/573795688.db2.gz QSCTWZXZRSOONU-VGMNWLOBSA-N 0 0 166.264 2.648 10 0 AFAERN CCOC(=O)[C@@H]1C[C@H](C)[C@@H](CC)C1 259569067 573795707 /nfs/dbraw/zinc/79/57/07/573795707.db2.gz JBQRRBWAECODHN-LPEHRKFASA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)(C)[C@H]1NCc2ccccc2N1 238104151 573795754 /nfs/dbraw/zinc/79/57/54/573795754.db2.gz JBWBLDUPXJPFDM-NSHDSACASA-N 0 0 190.290 2.574 10 0 AFAERN c1ccc2[nH]c(Nc3cc[nH]c3)nc2c1 258949066 573795767 /nfs/dbraw/zinc/79/57/67/573795767.db2.gz ZEKAAXMKLRXGMA-UHFFFAOYSA-N 0 0 198.229 2.635 10 0 AFAERN CCC[C@H]1CCC[C@@H](C(=O)OC)C1 259569237 573795815 /nfs/dbraw/zinc/79/58/15/573795815.db2.gz JDOLHDUMCAZIFL-VHSXEESVSA-N 0 0 184.279 2.766 10 0 AFAERN CCC[C@H](C)COC(=O)C1CCC1 308441388 573795825 /nfs/dbraw/zinc/79/58/25/573795825.db2.gz YXWPPOTWWFKFLC-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN COc1ccc(SO)cc1C 259189235 573795852 /nfs/dbraw/zinc/79/58/52/573795852.db2.gz JGISLDURKUMGIV-UHFFFAOYSA-N 0 0 170.233 2.569 10 0 AFAERN CCC[C@H]1CCC[C@H](C(=O)OC)C1 259569232 573795853 /nfs/dbraw/zinc/79/58/53/573795853.db2.gz JDOLHDUMCAZIFL-UWVGGRQHSA-N 0 0 184.279 2.766 10 0 AFAERN CCC[C@@H](C)CNc1ccnn1CC 308728439 573795870 /nfs/dbraw/zinc/79/58/70/573795870.db2.gz HVTKJQJVYQYYPR-SNVBAGLBSA-N 0 0 195.310 2.751 10 0 AFAERN Cc1ccc(F)c([C@H](C)[C@H](C)O)c1 87141815 573795879 /nfs/dbraw/zinc/79/58/79/573795879.db2.gz WZGYUTZXEFCSSJ-BDAKNGLRSA-N 0 0 182.238 2.618 10 0 AFAERN Cc1c[nH]c(-c2ccccc2O)c1 238520095 573795929 /nfs/dbraw/zinc/79/59/29/573795929.db2.gz WVSQKIBKJSVKFV-UHFFFAOYSA-N 0 0 173.215 2.696 10 0 AFAERN CCC[C@@H]1CCC[C@@H](C(=O)OC)C1 259569229 573795955 /nfs/dbraw/zinc/79/59/55/573795955.db2.gz JDOLHDUMCAZIFL-NXEZZACHSA-N 0 0 184.279 2.766 10 0 AFAERN CSCCC[C@H]1CCC(=O)[C@@H]1C 131234581 573795974 /nfs/dbraw/zinc/79/59/74/573795974.db2.gz GWVRQXLKKFFJOW-BDAKNGLRSA-N 0 0 186.320 2.745 10 0 AFAERN CC(=O)CC[C@H]1C(C)(C)[C@]1(C)F 238104924 573796070 /nfs/dbraw/zinc/79/60/70/573796070.db2.gz RXAMARYZHLVRMA-WCBMZHEXSA-N 0 0 172.243 2.740 10 0 AFAERN CCSCC[C@@H](C)CC(C)=O 131228725 573796178 /nfs/dbraw/zinc/79/61/78/573796178.db2.gz GODBGLZZCMOZQU-MRVPVSSYSA-N 0 0 174.309 2.745 10 0 AFAERN CC(C)(C)[C@@H]1CC(=O)[C@@H]2C[C@@H]2C1 238103751 573796190 /nfs/dbraw/zinc/79/61/90/573796190.db2.gz RTIGFCCVNSWQST-XHNCKOQMSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccc2c(C)c(CO)oc2c1 238516546 573804490 /nfs/dbraw/zinc/80/44/90/573804490.db2.gz XHJNOCFDIISNPH-UHFFFAOYSA-N 0 0 176.215 2.542 10 0 AFAERN C[C@@H]1C(=O)C[C@H]2CC=CCC[C@@H]12 238515672 573804517 /nfs/dbraw/zinc/80/45/17/573804517.db2.gz JDBPHRFBNNPMTO-AEJSXWLSSA-N 0 0 164.248 2.568 10 0 AFAERN O=CC1OCC=C1Cc1ccccc1 308439503 573803801 /nfs/dbraw/zinc/80/38/01/573803801.db2.gz BRZGVMQVOYLPFS-XFXZXTDPSA-N 0 0 188.226 2.585 10 0 AFAERN CC1=C[C@@H](CO)C(=C(C)C)CC1 238120540 573803951 /nfs/dbraw/zinc/80/39/51/573803951.db2.gz QYWCAYGDDOKCJB-JTQLQIEISA-N 0 0 166.264 2.671 10 0 AFAERN Cc1cc(CO)c2ccccc2c1C 238528076 573803972 /nfs/dbraw/zinc/80/39/72/573803972.db2.gz DNJPULZMFAXRJZ-UHFFFAOYSA-N 0 0 186.254 2.949 10 0 AFAERN CCc1nc(Cl)c2n1C[C@@H](C)CC2 258131815 573803989 /nfs/dbraw/zinc/80/39/89/573803989.db2.gz GJBZUOVNTCVFPA-ZETCQYMHSA-N 0 0 198.697 2.681 10 0 AFAERN C[C@H](O)c1cc2cccc(O)c2s1 258134521 573804537 /nfs/dbraw/zinc/80/45/37/573804537.db2.gz KKWYYHYWDWMEKC-LURJTMIESA-N 0 0 194.255 2.660 10 0 AFAERN C=Cc1ccnc(Cl)c1C 209742639 573804010 /nfs/dbraw/zinc/80/40/10/573804010.db2.gz PJASZFCZDQSHIN-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN C[C@@]12CCC[C@]1(C)CCC(=O)C2 238516018 573804041 /nfs/dbraw/zinc/80/40/41/573804041.db2.gz QHNVDZHPLOTLRM-MNOVXSKESA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)C1(CO)CCCCC1 87155562 573804043 /nfs/dbraw/zinc/80/40/43/573804043.db2.gz WDFYSCXYKARVAN-UHFFFAOYSA-N 0 0 156.269 2.585 10 0 AFAERN CC/C=C(\C)C(=O)OC[C@@H]1C[C@@H]1C 308439050 573804182 /nfs/dbraw/zinc/80/41/82/573804182.db2.gz YDUCLVBKRDJLHZ-VCQGXKKCSA-N 0 0 182.263 2.542 10 0 AFAERN Cc1ccc(N)c(N[C@H](C)C2CC2)c1 87149672 573804203 /nfs/dbraw/zinc/80/42/03/573804203.db2.gz IMNHQEFFAYAYTM-SECBINFHSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(N)c(N2CCC[C@@H]2C)c1 87149779 573804218 /nfs/dbraw/zinc/80/42/18/573804218.db2.gz DCUAYFJDHNGKDF-JTQLQIEISA-N 0 0 190.290 2.566 10 0 AFAERN CC(=O)C[C@H]1C(C)(C)[C@]1(C)Cl 238127746 573804282 /nfs/dbraw/zinc/80/42/82/573804282.db2.gz KLIVILIOJDCADB-IONNQARKSA-N 0 0 174.671 2.619 10 0 AFAERN CC(=O)N[C@@H]1CCC2=C(CCCC2)C1 238128609 573804296 /nfs/dbraw/zinc/80/42/96/573804296.db2.gz NFQWWNYAAKSBOY-GFCCVEGCSA-N 0 0 193.290 2.546 10 0 AFAERN CCSC[C@H]1CNc2ccccc21 258132473 573804313 /nfs/dbraw/zinc/80/43/13/573804313.db2.gz MIOUHUUGNMQJEH-SECBINFHSA-N 0 0 193.315 2.949 10 0 AFAERN C/C=C/CC[NH2+]Cc1ccc(CC)o1 131257577 573804380 /nfs/dbraw/zinc/80/43/80/573804380.db2.gz VYSVTYOJNFOIFT-HWKANZROSA-N 0 0 193.290 2.898 10 0 AFAERN CCC(CC)C(=O)C(F)(F)F 87169231 573805253 /nfs/dbraw/zinc/80/52/53/573805253.db2.gz MZHQCKBYKYLHQP-UHFFFAOYSA-N 0 0 168.158 2.554 10 0 AFAERN Cc1ccc2c(C)c[nH]c2c1F 238516817 573805257 /nfs/dbraw/zinc/80/52/57/573805257.db2.gz IFTFEGVNSVZBCK-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN C[C@@H]1C(=O)C[C@]2(C)CCCC[C@@H]12 238516031 573805267 /nfs/dbraw/zinc/80/52/67/573805267.db2.gz PIMOOPGQYDNBKQ-QXEWZRGKSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cccc(C)c1-c1nncs1 238515907 573805288 /nfs/dbraw/zinc/80/52/88/573805288.db2.gz WDKGHAGVYSYWGG-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1cc[nH]c1Cc1[nH]ccc1C 238528039 573805296 /nfs/dbraw/zinc/80/52/96/573805296.db2.gz UATLBQCPBQXVSD-UHFFFAOYSA-N 0 0 174.247 2.550 10 0 AFAERN O=C1CCC[C@H]1c1ccc(Cl)cn1 238515850 573805304 /nfs/dbraw/zinc/80/53/04/573805304.db2.gz LNNQRIIDYIQMFW-QMMMGPOBSA-N 0 0 195.649 2.572 10 0 AFAERN CCC(CC)C(=O)[C@H]1C[C@H]1C 87169359 573805307 /nfs/dbraw/zinc/80/53/07/573805307.db2.gz DNALRVODGRDYRT-APPZFPTMSA-N 0 0 154.253 2.648 10 0 AFAERN CC/C=C(/C)C(=O)OC[C@@H]1C[C@H]1C 308439051 573805330 /nfs/dbraw/zinc/80/53/30/573805330.db2.gz YDUCLVBKRDJLHZ-ZLQFYDKZSA-N 0 0 182.263 2.542 10 0 AFAERN CC/C=C(/C)C(=O)OC[C@@H]1C[C@@H]1C 308439049 573804596 /nfs/dbraw/zinc/80/45/96/573804596.db2.gz YDUCLVBKRDJLHZ-VAJAEUGUSA-N 0 0 182.263 2.542 10 0 AFAERN CCSC[C@@H]1CNc2ccccc21 258132477 573805365 /nfs/dbraw/zinc/80/53/65/573805365.db2.gz MIOUHUUGNMQJEH-VIFPVBQESA-N 0 0 193.315 2.949 10 0 AFAERN CC(=O)C[C@@H]1C=C(C)CCC1 238128760 573804674 /nfs/dbraw/zinc/80/46/74/573804674.db2.gz UEOSSJJOERVADD-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN Cc1ccc2c(C)c(CO)ccc2c1 238516521 573804692 /nfs/dbraw/zinc/80/46/92/573804692.db2.gz GRCDCAVSJBJISF-UHFFFAOYSA-N 0 0 186.254 2.949 10 0 AFAERN CC(=O)c1c(C)oc2ccc(N)cc12 238120672 573804697 /nfs/dbraw/zinc/80/46/97/573804697.db2.gz IJHUUQSCOWWSDM-UHFFFAOYSA-N 0 0 189.214 2.526 10 0 AFAERN Cc1cccc2ccc(CCO)c-2c1 238528309 573804779 /nfs/dbraw/zinc/80/47/79/573804779.db2.gz QFGJJZKDLAASNK-UHFFFAOYSA-N 0 0 186.254 2.635 10 0 AFAERN CC(C)(CO)[C@@H]1CCc2ccccc21 238120446 573804831 /nfs/dbraw/zinc/80/48/31/573804831.db2.gz GEHIKUZBMHUKJB-GFCCVEGCSA-N 0 0 190.286 2.735 10 0 AFAERN Cc1ccc([C@]2(CO)C[C@H]2C)cc1C 258959101 573804854 /nfs/dbraw/zinc/80/48/54/573804854.db2.gz GLMOMCZNNKVFIZ-YPMHNXCESA-N 0 0 190.286 2.573 10 0 AFAERN C[C@]1(O)CCCc2ccc(Cl)cc21 258132569 573804857 /nfs/dbraw/zinc/80/48/57/573804857.db2.gz QKTYNTLDJXHTPD-NSHDSACASA-N 0 0 196.677 2.884 10 0 AFAERN Cc1ccc2c(C)c(C)[nH]c2c1O 238516159 573804934 /nfs/dbraw/zinc/80/49/34/573804934.db2.gz YHSYYRDNEWIXJB-UHFFFAOYSA-N 0 0 175.231 2.799 10 0 AFAERN O=C1CCC[C@H]1c1ccc(Cl)nc1 238515822 573805010 /nfs/dbraw/zinc/80/50/10/573805010.db2.gz UHJPDDHUSSCBLM-QMMMGPOBSA-N 0 0 195.649 2.572 10 0 AFAERN CC1=C[C@H](CO)C(=C(C)C)CC1 238120511 573805027 /nfs/dbraw/zinc/80/50/27/573805027.db2.gz QYWCAYGDDOKCJB-SNVBAGLBSA-N 0 0 166.264 2.671 10 0 AFAERN C=CC(=O)Nc1c(C)cccc1C=C 238516519 573805045 /nfs/dbraw/zinc/80/50/45/573805045.db2.gz SDQPEWGZBHSBFU-UHFFFAOYSA-N 0 0 187.242 2.763 10 0 AFAERN C/C=C\c1ccc(O)c(OC)c1C 81199225 573805053 /nfs/dbraw/zinc/80/50/53/573805053.db2.gz HHZIHDLTDXMWGF-PLNGDYQASA-N 0 0 178.231 2.742 10 0 AFAERN C[C@H]1C[C@@]12CCCCCC2=O 238516669 573805197 /nfs/dbraw/zinc/80/51/97/573805197.db2.gz BNZRKIJHAXMBOM-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cccc2ccccc2c1=O 238528340 573806792 /nfs/dbraw/zinc/80/67/92/573806792.db2.gz GBFFQMTYZVKUAP-UHFFFAOYSA-N 0 0 170.211 2.508 10 0 AFAERN CC(=O)C[C@@H]1C=C/C=C/CCC1 238128631 573806804 /nfs/dbraw/zinc/80/68/04/573806804.db2.gz UJYALJSOSKXTAJ-MVLXNQEDSA-N 0 0 164.248 2.878 10 0 AFAERN CC(=O)c1cnoc1C1CCCCC1 258430163 573806818 /nfs/dbraw/zinc/80/68/18/573806818.db2.gz FQEQRPWYCBTGED-UHFFFAOYSA-N 0 0 193.246 2.925 10 0 AFAERN CCC(CC)C(=O)C1CCC1 87169270 573806883 /nfs/dbraw/zinc/80/68/83/573806883.db2.gz QOPXVEAGYSUCLK-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cccc2c1[C@H]([C@H](C)CO)CC2 257879327 573806894 /nfs/dbraw/zinc/80/68/94/573806894.db2.gz VDFQUCGADXFIFF-PWSUYJOCSA-N 0 0 190.286 2.653 10 0 AFAERN CCC(CC)[C@]1(O)CS[C@@H](C)C1 87158975 573806956 /nfs/dbraw/zinc/80/69/56/573806956.db2.gz TZSRETGQSCXMSB-WCBMZHEXSA-N 0 0 188.336 2.679 10 0 AFAERN ClC1(Cl)[C@@H]2CCCOCC[C@H]21 238515869 573807030 /nfs/dbraw/zinc/80/70/30/573807030.db2.gz VLASSIPHJPETHI-RNFRBKRXSA-N 0 0 195.089 2.607 10 0 AFAERN Cc1noc(C)c1OC1CCCC1 238528320 573807062 /nfs/dbraw/zinc/80/70/62/573807062.db2.gz AGOPOQMHJAAYBA-UHFFFAOYSA-N 0 0 181.235 2.613 10 0 AFAERN ClC1(Cl)[C@H]2CCCOCC[C@@H]21 238516547 573807130 /nfs/dbraw/zinc/80/71/30/573807130.db2.gz VLASSIPHJPETHI-BQBZGAKWSA-N 0 0 195.089 2.607 10 0 AFAERN Cc1ccc2c(c1)OCC(C)(C)CN2 258430039 573807146 /nfs/dbraw/zinc/80/71/46/573807146.db2.gz FPTDFWPTPZOSHX-UHFFFAOYSA-N 0 0 191.274 2.826 10 0 AFAERN C[C@]1(C2CCCCCC2)CCC(=O)N1 257879417 573807227 /nfs/dbraw/zinc/80/72/27/573807227.db2.gz VGBVLYXRLJRUPX-GFCCVEGCSA-N 0 0 195.306 2.626 10 0 AFAERN CCC(CC)[C@]1(O)CCC[C@H]1C 87158824 573807233 /nfs/dbraw/zinc/80/72/33/573807233.db2.gz WWETZTCFHAOPHI-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN Nc1ccccc1-c1ccsc1N 258137387 573807375 /nfs/dbraw/zinc/80/73/75/573807375.db2.gz OFPRPHZYBJFNIJ-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CCC(CC)[C@@]1(O)CCC[C@@H]1C 87158822 573807395 /nfs/dbraw/zinc/80/73/95/573807395.db2.gz WWETZTCFHAOPHI-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](F)c1ccc(CCCO)cc1 258136190 573807426 /nfs/dbraw/zinc/80/74/26/573807426.db2.gz RYVKZKHYARZYGI-VIFPVBQESA-N 0 0 182.238 2.642 10 0 AFAERN CO[C@H](C)C(C)(C)c1ccccc1O 258138036 573807444 /nfs/dbraw/zinc/80/74/44/573807444.db2.gz QUQMFUUPEGUHSL-SECBINFHSA-N 0 0 194.274 2.705 10 0 AFAERN Oc1ccc(C2=CCSCC2)cc1 257879261 573807485 /nfs/dbraw/zinc/80/74/85/573807485.db2.gz VBUXPDNVXPJAIX-UHFFFAOYSA-N 0 0 192.283 2.913 10 0 AFAERN CCCc1ccc(SCCO)cc1 259196968 573807501 /nfs/dbraw/zinc/80/75/01/573807501.db2.gz YKQNECVRMDBUHN-UHFFFAOYSA-N 0 0 196.315 2.724 10 0 AFAERN CCc1cc(C2(O)CC2)c(F)cc1F 258136076 573807555 /nfs/dbraw/zinc/80/75/55/573807555.db2.gz RVYCDOVZCZYHSW-UHFFFAOYSA-N 0 0 198.212 2.509 10 0 AFAERN CCC1([C@H](CC(C)C)NN)CCCC1 127274251 573807565 /nfs/dbraw/zinc/80/75/65/573807565.db2.gz RJJZTFMDVNJODA-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN CCC(CC)[C@]1(O)CS[C@H](C)C1 87158979 573808324 /nfs/dbraw/zinc/80/83/24/573808324.db2.gz TZSRETGQSCXMSB-PSASIEDQSA-N 0 0 188.336 2.679 10 0 AFAERN CCOc1ccc(C)cc1CC(C)=O 258138624 573808333 /nfs/dbraw/zinc/80/83/33/573808333.db2.gz SFECSJVHWBTKRB-UHFFFAOYSA-N 0 0 192.258 2.525 10 0 AFAERN CCC(CC)C(=O)[C@@H]1C[C@@H]1C 87169354 573807603 /nfs/dbraw/zinc/80/76/03/573807603.db2.gz DNALRVODGRDYRT-IONNQARKSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(CC)[C@H](C[C@@H](C)CC)NN 131287199 573807630 /nfs/dbraw/zinc/80/76/30/573807630.db2.gz LASMVKYIJUWYSI-ONGXEEELSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1cn2c(ccc3cc(O)ccc32)n1 258136077 573807670 /nfs/dbraw/zinc/80/76/70/573807670.db2.gz QQACUXXGAQJZRN-UHFFFAOYSA-N 0 0 198.225 2.502 10 0 AFAERN CC(C)(O)c1cc(F)cc2ccoc12 258138657 573807683 /nfs/dbraw/zinc/80/76/83/573807683.db2.gz SFXNPGUSVAZBLD-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN COCCCCCCC(=O)C1CC1 131284176 573807696 /nfs/dbraw/zinc/80/76/96/573807696.db2.gz RZHZHAYSFMRIFB-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN C[C@@H](CO)c1cc2ccoc2cc1F 258136256 573807717 /nfs/dbraw/zinc/80/77/17/573807717.db2.gz SBAYANVHJXSVEW-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN CCc1c[nH]c(=O)c2ccc(F)cc12 258138181 573807767 /nfs/dbraw/zinc/80/77/67/573807767.db2.gz KRYDNNBVLQLETN-UHFFFAOYSA-N 0 0 191.205 2.642 10 0 AFAERN CCC(CC)C[C@@H](O)c1coc(C)n1 393669125 573807788 /nfs/dbraw/zinc/80/77/88/573807788.db2.gz QSYJRCKRCSOKAL-LLVKDONJSA-N 0 0 197.278 2.843 10 0 AFAERN Nc1ccccc1C[C@H]1CCCS1 257879311 573807806 /nfs/dbraw/zinc/80/78/06/573807806.db2.gz VCUXWSHXYBMBBU-SNVBAGLBSA-N 0 0 193.315 2.707 10 0 AFAERN CCC(CC)[C@H](C[C@H](C)CC)NN 131286981 573807858 /nfs/dbraw/zinc/80/78/58/573807858.db2.gz LASMVKYIJUWYSI-KOLCDFICSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1cccc2c1[C@H]([C@@H](C)CO)CC2 257879325 573807876 /nfs/dbraw/zinc/80/78/76/573807876.db2.gz VDFQUCGADXFIFF-JQWIXIFHSA-N 0 0 190.286 2.653 10 0 AFAERN Cc1ccc2cccc(CO)c2c1 238528831 573807878 /nfs/dbraw/zinc/80/78/78/573807878.db2.gz WKGYJZDRUOUKEY-UHFFFAOYSA-N 0 0 172.227 2.641 10 0 AFAERN O=C(CC[C@H]1CCOC1)C1CCCC1 127268385 573807913 /nfs/dbraw/zinc/80/79/13/573807913.db2.gz GLFIZCIMDZROEQ-JTQLQIEISA-N 0 0 196.290 2.562 10 0 AFAERN CCC(CC)c1cccnc1N 87174345 573807993 /nfs/dbraw/zinc/80/79/93/573807993.db2.gz LKBZYVNSKCZCON-UHFFFAOYSA-N 0 0 164.252 2.567 10 0 AFAERN CCC(CC)C(=O)[C@H]1C[C@@H]1C 87169355 573808040 /nfs/dbraw/zinc/80/80/40/573808040.db2.gz DNALRVODGRDYRT-CBAPKCEASA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)C[C@]1(C)C=CCCC1 238122859 573808045 /nfs/dbraw/zinc/80/80/45/573808045.db2.gz KAGQJEQFNRVEIX-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CCC(CC)[C@@H](C[C@@H](C)CC)NN 131287597 573808103 /nfs/dbraw/zinc/80/81/03/573808103.db2.gz LASMVKYIJUWYSI-GXSJLCMTSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1cc(CC2(O)CC2)c(C)cc1F 258138439 573808128 /nfs/dbraw/zinc/80/81/28/573808128.db2.gz SCGNDLZSQDKDEQ-UHFFFAOYSA-N 0 0 194.249 2.510 10 0 AFAERN COCCCCCCC(=O)C(C)C 131283954 573808145 /nfs/dbraw/zinc/80/81/45/573808145.db2.gz UQCQNMMYKDSIAH-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC(=O)c1c(O)cc(C)c(C)c1C 238124016 573810954 /nfs/dbraw/zinc/81/09/54/573810954.db2.gz FZWJXDAVFRICSN-UHFFFAOYSA-N 0 0 178.231 2.520 10 0 AFAERN Cn1nc(-c2cccs2)cc1Cl 238529121 573810256 /nfs/dbraw/zinc/81/02/56/573810256.db2.gz MOHONYOFOBQAEG-UHFFFAOYSA-N 0 0 198.678 2.802 10 0 AFAERN CONCc1cc(F)cc(C(C)C)c1 258136187 573810360 /nfs/dbraw/zinc/81/03/60/573810360.db2.gz RYVAFLXJGFLIRN-UHFFFAOYSA-N 0 0 197.253 2.600 10 0 AFAERN CC(C)(C)Oc1ccsc1C=O 238121418 573810389 /nfs/dbraw/zinc/81/03/89/573810389.db2.gz QBZDDBOZUZKOAB-UHFFFAOYSA-N 0 0 184.260 2.738 10 0 AFAERN Clc1ccc2c(n1)C=CCC2 238530281 573810443 /nfs/dbraw/zinc/81/04/43/573810443.db2.gz SOVCTDZQJONDLU-UHFFFAOYSA-N 0 0 165.623 2.694 10 0 AFAERN Cc1c(N)ncc(C(F)F)c1Cl 238528940 573810534 /nfs/dbraw/zinc/81/05/34/573810534.db2.gz LRIPYDHJQZRHRF-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C[C@@]1(C2CCCCCC2)CCC(=O)N1 257879418 573810560 /nfs/dbraw/zinc/81/05/60/573810560.db2.gz VGBVLYXRLJRUPX-LBPRGKRZSA-N 0 0 195.306 2.626 10 0 AFAERN CCC(CC)C1=C[C@@H](O)CC1 87175132 573810567 /nfs/dbraw/zinc/81/05/67/573810567.db2.gz LFAKKDWYUNPVJP-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)(O)c1cc2c(cc1F)CCC2 258136047 573810571 /nfs/dbraw/zinc/81/05/71/573810571.db2.gz RVENEEVMDZMLMG-UHFFFAOYSA-N 0 0 194.249 2.542 10 0 AFAERN CC(C)(C)Oc1cscc1C=O 238121663 573810579 /nfs/dbraw/zinc/81/05/79/573810579.db2.gz FFZNOHUIZKGCHA-UHFFFAOYSA-N 0 0 184.260 2.738 10 0 AFAERN CC(=O)c1cc(C2CC2)n(C(C)C)n1 257882616 573810600 /nfs/dbraw/zinc/81/06/00/573810600.db2.gz VTJZOFVTEACKJQ-UHFFFAOYSA-N 0 0 192.262 2.544 10 0 AFAERN CCc1nc(C=O)sc1C(C)C 257882174 573810606 /nfs/dbraw/zinc/81/06/06/573810606.db2.gz MFJZFIHFIOSUBL-UHFFFAOYSA-N 0 0 183.276 2.641 10 0 AFAERN CCC(CC)[C@@H]1CC[C@@H](O)C1 87175030 573810640 /nfs/dbraw/zinc/81/06/40/573810640.db2.gz JFHOOFONVFELSV-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc[nH]c1-c1[nH]ccc1C 238528560 573810674 /nfs/dbraw/zinc/81/06/74/573810674.db2.gz RFNJNHYYZSQLQT-UHFFFAOYSA-N 0 0 160.220 2.627 10 0 AFAERN O=CSc1ccc2c(c1)CCCC2 259196217 573810707 /nfs/dbraw/zinc/81/07/07/573810707.db2.gz KBBOEYVRYHEZRL-UHFFFAOYSA-N 0 0 192.283 2.848 10 0 AFAERN CCC1([C@@H](CC(C)C)NN)CCCC1 127274027 573810752 /nfs/dbraw/zinc/81/07/52/573810752.db2.gz RJJZTFMDVNJODA-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN CC(=O)C[C@H]1CCCC[C@H]1C 209748989 573810786 /nfs/dbraw/zinc/81/07/86/573810786.db2.gz JEPAEWIODZMTCB-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1cc(Cl)c(F)c(CO)c1 258136152 573810828 /nfs/dbraw/zinc/81/08/28/573810828.db2.gz RYBLJHFWEFYZEZ-UHFFFAOYSA-N 0 0 188.629 2.534 10 0 AFAERN Cc1nc(Cl)nc(C2CC2)c1C 238521714 573813758 /nfs/dbraw/zinc/81/37/58/573813758.db2.gz MKTYSPAEIDNHTK-UHFFFAOYSA-N 0 0 182.654 2.624 10 0 AFAERN CC[C@H](C)C1(CO)CCCC1 87176090 573813892 /nfs/dbraw/zinc/81/38/92/573813892.db2.gz RQKZHHHCZGHABQ-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN CCC(CC)[C@@H]1CCC(=O)C1 87174492 573813923 /nfs/dbraw/zinc/81/39/23/573813923.db2.gz WUQGLKIYYHSSCQ-SECBINFHSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)N[C@]12CCCC=C1CCCC2 238134634 573813982 /nfs/dbraw/zinc/81/39/82/573813982.db2.gz RUEMYQUORSGDBG-LBPRGKRZSA-N 0 0 193.290 2.546 10 0 AFAERN Cc1cc(CC2CC2)cc(C)c1O 238522861 573814010 /nfs/dbraw/zinc/81/40/10/573814010.db2.gz KUIPUAIKAOPQKR-UHFFFAOYSA-N 0 0 176.259 2.962 10 0 AFAERN CCC(CC)[C@H]1CCC[C@@H](O)C1 87175043 573814060 /nfs/dbraw/zinc/81/40/60/573814060.db2.gz JWOGUWUHWCYFDQ-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)C1(CO)CCCC1 87176087 573814161 /nfs/dbraw/zinc/81/41/61/573814161.db2.gz RQKZHHHCZGHABQ-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN CCC(CC)C1=C[C@H](O)CCC1 87175113 573814186 /nfs/dbraw/zinc/81/41/86/573814186.db2.gz TXWQOXSWEXPLKD-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)=C=C[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 238132737 573814191 /nfs/dbraw/zinc/81/41/91/573814191.db2.gz CWMAEPMYLAMZPY-VWYCJHECSA-N 0 0 176.259 2.723 10 0 AFAERN CC(=O)N[C@]1(C)C=CC(=C(C)C)CC1 238133840 573814280 /nfs/dbraw/zinc/81/42/80/573814280.db2.gz SDXHHBJWXARQEJ-GFCCVEGCSA-N 0 0 193.290 2.568 10 0 AFAERN CC(=O)C[C@@H](C)CCC1CCOCC1 308743808 573814308 /nfs/dbraw/zinc/81/43/08/573814308.db2.gz QEYBMLVWOYHQJT-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)(Cl)[C@@H](O)c1ccccc1 238133191 573814309 /nfs/dbraw/zinc/81/43/09/573814309.db2.gz GQQGHXPSJCVGEF-VIFPVBQESA-N 0 0 184.666 2.737 10 0 AFAERN Cc1ccc(N[C@@H]2CCC(=O)C2)cc1 238522305 573814362 /nfs/dbraw/zinc/81/43/62/573814362.db2.gz JGKZQBLKOZNUFL-LLVKDONJSA-N 0 0 189.258 2.529 10 0 AFAERN Cc1ccc(C2CC(=O)C2)cc1C 87199208 573823241 /nfs/dbraw/zinc/82/32/41/573823241.db2.gz ZGFXWPCESWPMNV-UHFFFAOYSA-N 0 0 174.243 2.750 10 0 AFAERN CCOc1cccc(C2CC(=O)C2)c1 87199346 573823252 /nfs/dbraw/zinc/82/32/52/573823252.db2.gz LBUFVWOFIKSQLQ-UHFFFAOYSA-N 0 0 190.242 2.532 10 0 AFAERN CC(C)(Cc1ncc[nH]1)C1=CC=CC1 238131287 573823262 /nfs/dbraw/zinc/82/32/62/573823262.db2.gz RZOQZCHLFPWWEM-UHFFFAOYSA-N 0 0 188.274 2.865 10 0 AFAERN O=C1CC(c2ccc(F)cc2Cl)C1 87199235 573823319 /nfs/dbraw/zinc/82/33/19/573823319.db2.gz OJONPHBWFLLCFF-UHFFFAOYSA-N 0 0 198.624 2.926 10 0 AFAERN CC(C)(C)c1n[nH]cc1OC1CCC1 238130509 573823320 /nfs/dbraw/zinc/82/33/20/573823320.db2.gz HSWLLYTVSIHSPP-UHFFFAOYSA-N 0 0 194.278 2.639 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2[nH]c(=S)[nH]c21 87200485 573823329 /nfs/dbraw/zinc/82/33/29/573823329.db2.gz OSAFUVVAEPYZQK-RITPCOANSA-N 0 0 182.292 2.758 10 0 AFAERN Cc1cc(C)cc(C2CC(O)C2)c1 87200192 573823353 /nfs/dbraw/zinc/82/33/53/573823353.db2.gz QKHHKUSHTUASKO-UHFFFAOYSA-N 0 0 176.259 2.542 10 0 AFAERN Cc1ccc2cc(C=O)c(C)nc2c1 238525362 573823471 /nfs/dbraw/zinc/82/34/71/573823471.db2.gz OEUVSQICBTYDNR-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN COC(=O)[C@H]1CCC(C)(C)CC12CC2 259572161 573823514 /nfs/dbraw/zinc/82/35/14/573823514.db2.gz DFVCVTOIKWRFKC-SECBINFHSA-N 0 0 196.290 2.766 10 0 AFAERN C=Cc1cn(C(C)(C)C)nc1C 87198266 573823517 /nfs/dbraw/zinc/82/35/17/573823517.db2.gz FSHGKPGRJKRGGT-UHFFFAOYSA-N 0 0 164.252 2.590 10 0 AFAERN C[C@H]1Cc2[nH]c(=S)[nH]c2[C@H](C)C1 87200480 573823528 /nfs/dbraw/zinc/82/35/28/573823528.db2.gz OSAFUVVAEPYZQK-PHDIDXHHSA-N 0 0 182.292 2.758 10 0 AFAERN Cc1nc2cc(OC3CC3)ccc2o1 238525865 573823549 /nfs/dbraw/zinc/82/35/49/573823549.db2.gz MWXWWICBMAEZMH-UHFFFAOYSA-N 0 0 189.214 2.677 10 0 AFAERN CC(C)=C=C(C)C(C)(C)CO 238131164 573823584 /nfs/dbraw/zinc/82/35/84/573823584.db2.gz UMERZAAFCPCPBM-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN C[C@](O)(CC1CCCC1)C1=COCC1 689825307 573823615 /nfs/dbraw/zinc/82/36/15/573823615.db2.gz VMTZODKWXLVASE-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN Cc1cc(C2CC(=O)C2)cc(C)c1F 87199338 573823717 /nfs/dbraw/zinc/82/37/17/573823717.db2.gz XNIJTHNMPKZHLY-UHFFFAOYSA-N 0 0 192.233 2.889 10 0 AFAERN Cc1cccc(-c2nncs2)c1F 238526474 573823729 /nfs/dbraw/zinc/82/37/29/573823729.db2.gz RVYHEJSSNKXQFO-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CC1(C(N)=O)CCC(C(C)(C)C)CC1 238139706 573823770 /nfs/dbraw/zinc/82/37/70/573823770.db2.gz OUXROIAYKYPAHU-UHFFFAOYSA-N 0 0 197.322 2.714 10 0 AFAERN C=Cc1c(C=O)[nH]c2ccccc12 238131069 573823811 /nfs/dbraw/zinc/82/38/11/573823811.db2.gz HIJPTJRVEWMSCK-UHFFFAOYSA-N 0 0 171.199 2.623 10 0 AFAERN Cc1cccc(C2CC(=O)C2)c1C 87199303 573823848 /nfs/dbraw/zinc/82/38/48/573823848.db2.gz JDTJOUYUKDQXPU-UHFFFAOYSA-N 0 0 174.243 2.750 10 0 AFAERN CC(C)=C[C@H](O)CCC(C)C 122785572 573826180 /nfs/dbraw/zinc/82/61/80/573826180.db2.gz IBSPZENDIMBPSI-SNVBAGLBSA-N 0 0 156.269 2.750 10 0 AFAERN O=C1CCCc2cc(Cl)ccc2O1 258149081 573826190 /nfs/dbraw/zinc/82/61/90/573826190.db2.gz RVTCNNYUBRJRCW-UHFFFAOYSA-N 0 0 196.633 2.582 10 0 AFAERN CC(C)CCc1ccc(N)c(O)c1 238129163 573826293 /nfs/dbraw/zinc/82/62/93/573826293.db2.gz QBSYZNVDXUWVNZ-UHFFFAOYSA-N 0 0 179.263 2.563 10 0 AFAERN CC(C)(Cc1ncc[nH]1)C1=CCC=C1 238131324 573826312 /nfs/dbraw/zinc/82/63/12/573826312.db2.gz PRXBSUCNMLKTHP-UHFFFAOYSA-N 0 0 188.274 2.865 10 0 AFAERN Cc1cccc(-c2nncs2)c1 238526363 573826366 /nfs/dbraw/zinc/82/63/66/573826366.db2.gz ZPCDZSJJXIHLMT-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN CC[C@@H](C)C[C@H](CC1CCCC1)NN 131400028 573826390 /nfs/dbraw/zinc/82/63/90/573826390.db2.gz YSCROXDBWPSOHC-ZYHUDNBSSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1cccc(Cl)c1[C@H]1C[C@H]1CO 238526200 573826392 /nfs/dbraw/zinc/82/63/92/573826392.db2.gz ORSFLJLJXFWBAD-IUCAKERBSA-N 0 0 196.677 2.744 10 0 AFAERN CC1=CC[C@H]([C@@]2(C)CCC(=O)O2)CC1 14614553 573826490 /nfs/dbraw/zinc/82/64/90/573826490.db2.gz UNFHEEKKAAZTLL-CMPLNLGQSA-N 0 0 194.274 2.829 10 0 AFAERN CCSCCC[C@H]1CCC(=O)C1 131219807 573826501 /nfs/dbraw/zinc/82/65/01/573826501.db2.gz DHYWPKXNMCRUMS-VIFPVBQESA-N 0 0 186.320 2.889 10 0 AFAERN CC(C)=C[C@@H](O)[C@H](C)C(C)C 122794417 573826508 /nfs/dbraw/zinc/82/65/08/573826508.db2.gz ZXRMLIKYNQJHNP-NXEZZACHSA-N 0 0 156.269 2.606 10 0 AFAERN Cc1cc(F)c2c(c1F)C(=O)C[C@H]2C 87220109 573826563 /nfs/dbraw/zinc/82/65/63/573826563.db2.gz KTJPZFUEPUASEV-RXMQYKEDSA-N 0 0 196.196 2.963 10 0 AFAERN O=C1CC[C@H](c2cccnc2Cl)C1 238524487 573826587 /nfs/dbraw/zinc/82/65/87/573826587.db2.gz KWUHLJIBYDYRPD-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN CC(C)=C=C(CO)C(C)(C)C 238131334 573826588 /nfs/dbraw/zinc/82/65/88/573826588.db2.gz RNNPRGWUUSMHHI-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN O=C1CCC[C@@H]1c1cccnc1Cl 238524515 573826634 /nfs/dbraw/zinc/82/66/34/573826634.db2.gz IOQBVANAMGOEQJ-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1cc2sncc2cc1F 238525504 573826657 /nfs/dbraw/zinc/82/66/57/573826657.db2.gz LEXZSZOYKVSDTO-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN CC(C)=C[C@H](O)CC[C@@H]1CCCCO1 122826947 573831028 /nfs/dbraw/zinc/83/10/28/573831028.db2.gz OJNZPGUHAVSZMI-NEPJUHHUSA-N 0 0 198.306 2.663 10 0 AFAERN C=C/C(=C\C[C@H](C)O)[Si](C)(C)C 213715769 573830245 /nfs/dbraw/zinc/83/02/45/573830245.db2.gz HOZWCFXCTNBFFW-WKMLFNHBSA-N 0 0 184.355 2.747 10 0 AFAERN Cc1nc(Cl)c(Cl)cc1C=O 238531342 573830260 /nfs/dbraw/zinc/83/02/60/573830260.db2.gz DCRRDBCDJSMXMH-UHFFFAOYSA-N 0 0 190.029 2.509 10 0 AFAERN CC[C@H](C)C1(O)CCCCC1 84329063 573830300 /nfs/dbraw/zinc/83/03/00/573830300.db2.gz DDZVJPFRZCDPEK-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)(C)CC1=CCCC[C@H]1O 238146428 573830302 /nfs/dbraw/zinc/83/03/02/573830302.db2.gz UOHPNUIUCSIFAW-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@H](O)c1cccc2c1S[C@H](C)C2 258144028 573830454 /nfs/dbraw/zinc/83/04/54/573830454.db2.gz QPLDKDKXXFXOKO-SFYZADRCSA-N 0 0 194.299 2.777 10 0 AFAERN CCC(C)(C)[C@H](NN)c1ccccc1 127344108 573830578 /nfs/dbraw/zinc/83/05/78/573830578.db2.gz PSWQZMTUUSROCX-LLVKDONJSA-N 0 0 192.306 2.627 10 0 AFAERN CC[C@H](C)C(O)(CC)CC 84327929 573830586 /nfs/dbraw/zinc/83/05/86/573830586.db2.gz YOCLWWFBEJQTBM-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN Nc1ccc(-c2cccc(F)c2)o1 258144441 573830680 /nfs/dbraw/zinc/83/06/80/573830680.db2.gz OXQCORUSGOIKQN-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CC[C@H](C)C[C@H](NN)c1ccc(C)o1 131402388 573830752 /nfs/dbraw/zinc/83/07/52/573830752.db2.gz PZRBUZDLVKBBEB-WPRPVWTQSA-N 0 0 196.294 2.529 10 0 AFAERN CC(C)(C)[C@@H](O)[C@H]1C=CCCC1 238148510 573830763 /nfs/dbraw/zinc/83/07/63/573830763.db2.gz RQXITFKCJJUNHR-UWVGGRQHSA-N 0 0 168.280 2.750 10 0 AFAERN CCc1ccc(SO)cc1 259204884 573830810 /nfs/dbraw/zinc/83/08/10/573830810.db2.gz KYZHEUPBAKMZFI-UHFFFAOYSA-N 0 0 154.234 2.814 10 0 AFAERN CCC(C)(C)[C@@H](NN)c1ccccc1 127344324 573830811 /nfs/dbraw/zinc/83/08/11/573830811.db2.gz PSWQZMTUUSROCX-NSHDSACASA-N 0 0 192.306 2.627 10 0 AFAERN CSCCCCCC(=O)C1CC1 131222970 573830939 /nfs/dbraw/zinc/83/09/39/573830939.db2.gz ZTUBGNBNIYMEMS-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CC(C)=C[C@H](O)Cc1ccccc1C 122829910 573830945 /nfs/dbraw/zinc/83/09/45/573830945.db2.gz XSBZVQZTAPHPPC-ZDUSSCGKSA-N 0 0 190.286 2.865 10 0 AFAERN CC(C)c1onc2ccc(O)cc12 257886245 573830975 /nfs/dbraw/zinc/83/09/75/573830975.db2.gz MQBJFBWRNZPIDZ-UHFFFAOYSA-N 0 0 177.203 2.657 10 0 AFAERN CCCCC[C@H]([NH2+]C)c1nccs1 41060281 573830990 /nfs/dbraw/zinc/83/09/90/573830990.db2.gz QHMLBLAHWKOFKW-VIFPVBQESA-N 0 0 198.335 2.984 10 0 AFAERN CC1=CC[C@@H]([C@@]2(C)CCC(=O)O2)CC1 14614552 573831013 /nfs/dbraw/zinc/83/10/13/573831013.db2.gz UNFHEEKKAAZTLL-ZYHUDNBSSA-N 0 0 194.274 2.829 10 0 AFAERN Cc1cc(F)c2c(c1F)C(=O)C[C@@H]2C 87220108 573831018 /nfs/dbraw/zinc/83/10/18/573831018.db2.gz KTJPZFUEPUASEV-YFKPBYRVSA-N 0 0 196.196 2.963 10 0 AFAERN S=c1[nH]c2c([nH]1)CCCCCC2 87200542 573831046 /nfs/dbraw/zinc/83/10/46/573831046.db2.gz BEDNPIPLMNKHHZ-UHFFFAOYSA-N 0 0 182.292 2.731 10 0 AFAERN CC(C)C[C@H]1CC(=O)C1(C)C 238146965 573831067 /nfs/dbraw/zinc/83/10/67/573831067.db2.gz VPGXVBLEUOHOPF-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(C)[C@@H](O)C1C=CCCC=C1 238146439 573831077 /nfs/dbraw/zinc/83/10/77/573831077.db2.gz LUBFWIRAAQWCSW-NSHDSACASA-N 0 0 180.291 2.916 10 0 AFAERN CCC(=O)CCCCCSC 131221645 573831107 /nfs/dbraw/zinc/83/11/07/573831107.db2.gz UOVAAHBMEGQQMD-UHFFFAOYSA-N 0 0 174.309 2.889 10 0 AFAERN CC[C@H](C)CC(C[C@@H](C)CC)NN 131397484 573831155 /nfs/dbraw/zinc/83/11/55/573831155.db2.gz GUWLMNPCPQAETE-UWVGGRQHSA-N 0 0 186.343 2.691 10 0 AFAERN COc1cc(C(C)C)c(F)cc1C=O 257886431 573831156 /nfs/dbraw/zinc/83/11/56/573831156.db2.gz WGMSIEICJVKCHG-UHFFFAOYSA-N 0 0 196.221 2.770 10 0 AFAERN CC(C)C[C@H]1CCc2ccc(CO)n21 238149108 573831158 /nfs/dbraw/zinc/83/11/58/573831158.db2.gz ZEONVBCKFVIVDG-LLVKDONJSA-N 0 0 193.290 2.514 10 0 AFAERN C[C@H]1Cc2cccc([C@@H](C)O)c2S1 258144023 573831182 /nfs/dbraw/zinc/83/11/82/573831182.db2.gz QPLDKDKXXFXOKO-JGVFFNPUSA-N 0 0 194.299 2.777 10 0 AFAERN Cc1ccc2ccc(Cl)nc2c1N 238527994 573831209 /nfs/dbraw/zinc/83/12/09/573831209.db2.gz RNGPYWZMCJYLHC-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CC(C)(C)[C@@H](O)[C@@H]1[C@H]2CCCC[C@H]21 238148601 573831212 /nfs/dbraw/zinc/83/12/12/573831212.db2.gz PZKCOEWMZNPNJK-ZDCRXTMVSA-N 0 0 182.307 2.830 10 0 AFAERN CC(=O)[C@H](C)c1cc(F)c(C)cc1F 87220715 573831213 /nfs/dbraw/zinc/83/12/13/573831213.db2.gz KTZJIJTYPZOYTJ-ZETCQYMHSA-N 0 0 198.212 2.966 10 0 AFAERN Cc1cc([C@H]2CO2)ccc1Cl 238527542 573831252 /nfs/dbraw/zinc/83/12/52/573831252.db2.gz BLPPAZVSJMVNNN-SECBINFHSA-N 0 0 168.623 2.720 10 0 AFAERN CC(C)(C)CC1=C[C@@H](O)CCC1 238146491 573831283 /nfs/dbraw/zinc/83/12/83/573831283.db2.gz RGKNGXDOMODWSL-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@@H]([NH3+])C[C@@H]2C 87220122 573831345 /nfs/dbraw/zinc/83/13/45/573831345.db2.gz WXMLFDXTCFCAJH-XNCJUZBTSA-N 0 0 197.228 2.780 10 0 AFAERN CC(C)(C)[C@@H](O)OCc1ccccc1 238148085 573831418 /nfs/dbraw/zinc/83/14/18/573831418.db2.gz UCGPPANJGODETE-NSHDSACASA-N 0 0 194.274 2.568 10 0 AFAERN Cc1c(Cl)cc(C(F)F)nc1N 238527631 573831427 /nfs/dbraw/zinc/83/14/27/573831427.db2.gz UUCODDCOCCNXMO-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1ccc(Nc2nccs2)cn1 238526539 573831475 /nfs/dbraw/zinc/83/14/75/573831475.db2.gz VJENDCLOKWYOST-UHFFFAOYSA-N 0 0 191.259 2.590 10 0 AFAERN CC[C@@H](C)C(O)(CC)CC 84327927 573831492 /nfs/dbraw/zinc/83/14/92/573831492.db2.gz YOCLWWFBEJQTBM-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN CC(C)(C)[C@@H](O)C[Si](C)(C)C 238147847 573831507 /nfs/dbraw/zinc/83/15/07/573831507.db2.gz CCZLFXQILDZIPU-QMMMGPOBSA-N 0 0 174.360 2.732 10 0 AFAERN O=[N+]([O-])/C=C/C1CCCCCC1 84328569 573831532 /nfs/dbraw/zinc/83/15/32/573831532.db2.gz KONKSBZQKWZBKM-BQYQJAHWSA-N 0 0 169.224 2.747 10 0 AFAERN C=CC1=CN(C(=O)OC(C)(C)C)CC1 238149483 573831646 /nfs/dbraw/zinc/83/16/46/573831646.db2.gz WNCKYWJGOMTCHX-UHFFFAOYSA-N 0 0 195.262 2.697 10 0 AFAERN Cc1cc(Cl)c(OC2CCC2)cn1 238531451 573831669 /nfs/dbraw/zinc/83/16/69/573831669.db2.gz NGHDDZTYHYUAEY-UHFFFAOYSA-N 0 0 197.665 2.975 10 0 AFAERN C[C@H]1Cc2cccc([C@H](C)O)c2S1 258144032 573831670 /nfs/dbraw/zinc/83/16/70/573831670.db2.gz QPLDKDKXXFXOKO-YUMQZZPRSA-N 0 0 194.299 2.777 10 0 AFAERN CC(C)(C)CC1=C[C@H](O)CCC1 238146507 573831719 /nfs/dbraw/zinc/83/17/19/573831719.db2.gz RGKNGXDOMODWSL-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)[C@@H](O)[C@@H]1C=CCCC1 238149188 573831753 /nfs/dbraw/zinc/83/17/53/573831753.db2.gz RQXITFKCJJUNHR-ZJUUUORDSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)C[C@H]1CC[C@H](C)C1=O 238148891 573831774 /nfs/dbraw/zinc/83/17/74/573831774.db2.gz ZLTBRMOTAWJAOL-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN O=Cc1ccccc1[C@@H]1C[C@@H]1C(F)F 258150971 573831812 /nfs/dbraw/zinc/83/18/12/573831812.db2.gz RZLJAMGFVRIHLE-UWVGGRQHSA-N 0 0 196.196 2.868 10 0 AFAERN Fc1nccc(C(F)F)c1Cl 238527938 573831845 /nfs/dbraw/zinc/83/18/45/573831845.db2.gz RTLPKSVHOIXJHH-UHFFFAOYSA-N 0 0 181.544 2.812 10 0 AFAERN Cc1nc(Cl)c(F)cc1Cl 238531607 573832015 /nfs/dbraw/zinc/83/20/15/573832015.db2.gz BSGNXAMTYGWSSJ-UHFFFAOYSA-N 0 0 180.009 2.836 10 0 AFAERN Cc1cc(F)c(C2CC(=O)C2)cc1F 87220910 573832058 /nfs/dbraw/zinc/83/20/58/573832058.db2.gz NLFGZKQYGORPMR-UHFFFAOYSA-N 0 0 196.196 2.720 10 0 AFAERN CC(C)C[C@H]1CC[C@@H](C)C1=O 238148621 573832312 /nfs/dbraw/zinc/83/23/12/573832312.db2.gz ZLTBRMOTAWJAOL-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(C)[C@@H](O)[C@H]1[C@H]2CCCC[C@H]21 238149275 573832318 /nfs/dbraw/zinc/83/23/18/573832318.db2.gz PZKCOEWMZNPNJK-VLEAKVRGSA-N 0 0 182.307 2.830 10 0 AFAERN Cc1nc(Cl)ccc1OC(F)F 238533699 573832568 /nfs/dbraw/zinc/83/25/68/573832568.db2.gz XCAZRMSUBFHAFF-UHFFFAOYSA-N 0 0 193.580 2.645 10 0 AFAERN Cc1cn2c(ccc3cccc(O)c32)n1 258150985 573832622 /nfs/dbraw/zinc/83/26/22/573832622.db2.gz RZZIWDHIGVEXCF-UHFFFAOYSA-N 0 0 198.225 2.502 10 0 AFAERN OC1(Cc2ccc3occc3c2)CC1 258152992 573835413 /nfs/dbraw/zinc/83/54/13/573835413.db2.gz UHMAFWHGPASBTE-UHFFFAOYSA-N 0 0 188.226 2.500 10 0 AFAERN Cc1ccc([C@H](O)C2=CC2(C)C)cc1 238533749 573835475 /nfs/dbraw/zinc/83/54/75/573835475.db2.gz IYWCCROYVCXZID-LBPRGKRZSA-N 0 0 188.270 2.995 10 0 AFAERN Cc1cc(F)c(C2CC(O)C2)cc1F 87220916 573835556 /nfs/dbraw/zinc/83/55/56/573835556.db2.gz OPPIAIHFGXWCAU-UHFFFAOYSA-N 0 0 198.212 2.512 10 0 AFAERN C[C@]1(C(=O)C2CCCCC2)CCCO1 87226758 573835627 /nfs/dbraw/zinc/83/56/27/573835627.db2.gz LRPIHSDFGHXJRS-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN Cc1ccc(C(C)(C)CCO)cc1 84334271 573835659 /nfs/dbraw/zinc/83/56/59/573835659.db2.gz AANIDAFNIJSWEZ-UHFFFAOYSA-N 0 0 178.275 2.655 10 0 AFAERN OC1(CCc2ccccc2)CCC1 84333206 573835685 /nfs/dbraw/zinc/83/56/85/573835685.db2.gz WTDAISLPVQUBCK-UHFFFAOYSA-N 0 0 176.259 2.534 10 0 AFAERN CCSCc1ccc(N)c(F)c1 87225767 573835796 /nfs/dbraw/zinc/83/57/96/573835796.db2.gz QDSKMFOXETYTPL-UHFFFAOYSA-N 0 0 185.267 2.661 10 0 AFAERN C[C@@]1(C(=O)CC2CCCC2)CCCO1 87226731 573835829 /nfs/dbraw/zinc/83/58/29/573835829.db2.gz NYVPJSVHDHJFII-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)=CC[C@@H](O)c1ccccc1O 238154903 573835874 /nfs/dbraw/zinc/83/58/74/573835874.db2.gz PVSARONVQSJRDU-GFCCVEGCSA-N 0 0 192.258 2.782 10 0 AFAERN Cc1coc([C@H](N)c2ccc(C)o2)c1 716244766 573835891 /nfs/dbraw/zinc/83/58/91/573835891.db2.gz IIEYRDLOUOULMD-LLVKDONJSA-N 0 0 191.230 2.538 10 0 AFAERN N[C@@H](C1CCCCCC1)C(F)(F)F 84330545 573835921 /nfs/dbraw/zinc/83/59/21/573835921.db2.gz YQPWTAPJKWHCAO-QMMMGPOBSA-N 0 0 195.228 2.846 10 0 AFAERN CC(C)(C)C1C[C@H]2C=C[C@@H](C1)C2=O 238140749 573835961 /nfs/dbraw/zinc/83/59/61/573835961.db2.gz YERUWCXRPDPWNJ-ULKQDVFKSA-N 0 0 178.275 2.814 10 0 AFAERN C/C=C\[C@H](C)[C@@H](O)Cc1ccccc1 308448438 573835990 /nfs/dbraw/zinc/83/59/90/573835990.db2.gz OJILLQWMEYPDAI-CLNXSSTHSA-N 0 0 190.286 2.802 10 0 AFAERN CC[C@@H](C)C1(O)CCC(C)CC1 84331904 573836026 /nfs/dbraw/zinc/83/60/26/573836026.db2.gz WMQVKTSMCDYLOI-HSOILSAZSA-N 0 0 170.296 2.974 10 0 AFAERN C=Cc1cc(OC(C)C)ccc1O 238155315 573837505 /nfs/dbraw/zinc/83/75/05/573837505.db2.gz RXAASIAXMAQMOF-UHFFFAOYSA-N 0 0 178.231 2.822 10 0 AFAERN Clc1cnc(Cc2ccco2)o1 258432623 573837508 /nfs/dbraw/zinc/83/75/08/573837508.db2.gz DMTARUURGIYXAD-UHFFFAOYSA-N 0 0 183.594 2.512 10 0 AFAERN CSc1cc(C)ccc1CCCO 258152965 573837567 /nfs/dbraw/zinc/83/75/67/573837567.db2.gz UHCILKSLOGISNS-UHFFFAOYSA-N 0 0 196.315 2.642 10 0 AFAERN CC(=O)c1csc2ccc(O)cc12 238155437 573837600 /nfs/dbraw/zinc/83/76/00/573837600.db2.gz SJMSOXSULHJFFB-UHFFFAOYSA-N 0 0 192.239 2.810 10 0 AFAERN Cc1ccc(OCc2cocn2)cc1 258149904 573837655 /nfs/dbraw/zinc/83/76/55/573837655.db2.gz LFTUTEYASVMNCI-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN O[C@@H](C1CCCCCC1)C(F)(F)F 84330289 573837659 /nfs/dbraw/zinc/83/76/59/573837659.db2.gz MTYNWKANVRUABJ-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN CCc1ccc(C2(O)CCC2)cc1 84333200 573837700 /nfs/dbraw/zinc/83/77/00/573837700.db2.gz BBPYQJXVZPBIFE-UHFFFAOYSA-N 0 0 176.259 2.621 10 0 AFAERN CC(C)(C)[C@@H]1CC[C@H](F)C(=O)C1 238155559 573837710 /nfs/dbraw/zinc/83/77/10/573837710.db2.gz DFIGJGGIMYAECQ-SFYZADRCSA-N 0 0 172.243 2.740 10 0 AFAERN O=C(c1cncs1)C1CCCC1 84336347 573837711 /nfs/dbraw/zinc/83/77/11/573837711.db2.gz HMPOQMGGYLCBTB-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN FC(F)(C1CCC1)C1CC1 258965664 573837735 /nfs/dbraw/zinc/83/77/35/573837735.db2.gz HIWDMHGIBSWRLF-UHFFFAOYSA-N 0 0 146.180 2.832 10 0 AFAERN C[C@@]1(CNc2ccccc2)CCCO1 87230043 573837772 /nfs/dbraw/zinc/83/77/72/573837772.db2.gz FEYDLNYHUCCCAJ-LBPRGKRZSA-N 0 0 191.274 2.668 10 0 AFAERN CC(C)C[C@@H]1CC(=O)C1(C)C 238155305 573837780 /nfs/dbraw/zinc/83/77/80/573837780.db2.gz VPGXVBLEUOHOPF-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc(-c2c[nH]cc2N)cc1 258153096 573837832 /nfs/dbraw/zinc/83/78/32/573837832.db2.gz PONZCCLFBARTTK-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Cc1cc(C)c(C(F)F)nc1F 238535591 573837906 /nfs/dbraw/zinc/83/79/06/573837906.db2.gz XPZCDNMEISAPSA-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Cc1coc([C@@H](N)c2ccc(C)o2)c1 716244767 573837945 /nfs/dbraw/zinc/83/79/45/573837945.db2.gz IIEYRDLOUOULMD-NSHDSACASA-N 0 0 191.230 2.538 10 0 AFAERN Cc1c(O)c(N)cc(Cl)c1Cl 238535402 573837957 /nfs/dbraw/zinc/83/79/57/573837957.db2.gz UXSSPWOJUWVGJC-UHFFFAOYSA-N 0 0 192.045 2.590 10 0 AFAERN CC(C)(C)[C@@H]1CC[C@@H](F)C(=O)C1 238154747 573837972 /nfs/dbraw/zinc/83/79/72/573837972.db2.gz DFIGJGGIMYAECQ-HTQZYQBOSA-N 0 0 172.243 2.740 10 0 AFAERN Oc1ccc([C@@H](O)C2CCCC2)cc1 259623128 573837984 /nfs/dbraw/zinc/83/79/84/573837984.db2.gz FLTHFVHKFDJZLQ-LBPRGKRZSA-N 0 0 192.258 2.616 10 0 AFAERN C[C@@H]1C[C@]1(CO)C1CCCCC1 258965655 573837988 /nfs/dbraw/zinc/83/79/88/573837988.db2.gz HILXAPJVKCXNAC-MWLCHTKSSA-N 0 0 168.280 2.585 10 0 AFAERN CC(C)=CCC(=O)CC(C)C 100950147 573837998 /nfs/dbraw/zinc/83/79/98/573837998.db2.gz FLWSXFDNJHUPRX-UHFFFAOYSA-N 0 0 154.253 2.958 10 0 AFAERN C[C@@H]1CCC(=O)c2cc(F)ccc2N1 257886531 573838072 /nfs/dbraw/zinc/83/80/72/573838072.db2.gz WISJLRZBJJNDFH-SSDOTTSWSA-N 0 0 193.221 2.603 10 0 AFAERN C[C@@H]1CCC[C@@H](/C=C/[N+](=O)[O-])C1 84341594 573842427 /nfs/dbraw/zinc/84/24/27/573842427.db2.gz PRXAITMALBYLHR-RKWMXMRGSA-N 0 0 169.224 2.603 10 0 AFAERN CC(C)C[C@@H]1C(=O)CC[C@H]1C 238157845 573842460 /nfs/dbraw/zinc/84/24/60/573842460.db2.gz JOYJYHVNAYJAEW-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CCCc1nccn1CO[C@H](C)CC 308450123 573842495 /nfs/dbraw/zinc/84/24/95/573842495.db2.gz BBTPXOUMDRLAEF-SNVBAGLBSA-N 0 0 196.294 2.608 10 0 AFAERN CC1(C)CC[C@@H](CO)c2ccccc21 84348510 573841725 /nfs/dbraw/zinc/84/17/25/573841725.db2.gz LYROTKFUTJJEHB-JTQLQIEISA-N 0 0 190.286 2.834 10 0 AFAERN C[C@](O)(CC1CCCC1)c1ccc[nH]1 689825601 573841733 /nfs/dbraw/zinc/84/17/33/573841733.db2.gz YCDJNAHXCNSXBK-LBPRGKRZSA-N 0 0 193.290 2.803 10 0 AFAERN C[C@H]1CCC[C@H](CNc2cn[nH]c2)C1 84340934 573841773 /nfs/dbraw/zinc/84/17/73/573841773.db2.gz XAHWJTRKWHPIMI-UWVGGRQHSA-N 0 0 193.294 2.648 10 0 AFAERN C/C(=C/[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] 84341602 573841784 /nfs/dbraw/zinc/84/17/84/573841784.db2.gz OIZDZLBLXFAEMA-CODANPLPSA-N 0 0 183.251 2.993 10 0 AFAERN CCC[C@H]1CCC[C@@H](CO)CC1 84348416 573841875 /nfs/dbraw/zinc/84/18/75/573841875.db2.gz IMWKNIKPYAZGKJ-WDEREUQCSA-N 0 0 170.296 2.975 10 0 AFAERN C[C@@H]1CCC[C@H](CNc2cn[nH]c2)C1 84340931 573841987 /nfs/dbraw/zinc/84/19/87/573841987.db2.gz XAHWJTRKWHPIMI-ZJUUUORDSA-N 0 0 193.294 2.648 10 0 AFAERN CCSCc1ccc(O)cc1OC 258150180 573842029 /nfs/dbraw/zinc/84/20/29/573842029.db2.gz PGXUYMULMQPBDH-UHFFFAOYSA-N 0 0 198.287 2.654 10 0 AFAERN O[C@H](CCc1ccoc1)C1CCCC1 127393484 573842157 /nfs/dbraw/zinc/84/21/57/573842157.db2.gz YAGVHHNBRVJTSH-GFCCVEGCSA-N 0 0 194.274 2.763 10 0 AFAERN COCNc1csc2ccccc12 259208112 573842161 /nfs/dbraw/zinc/84/21/61/573842161.db2.gz WZQNNJGOBFTJSX-UHFFFAOYSA-N 0 0 193.271 2.917 10 0 AFAERN CC(C)C[C@@H]1C(=O)CC[C@@H]1C 238157089 573842185 /nfs/dbraw/zinc/84/21/85/573842185.db2.gz JOYJYHVNAYJAEW-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@@H]1CCC[C@H](CO)CC1 84348536 573842203 /nfs/dbraw/zinc/84/22/03/573842203.db2.gz ZJESAOWJNBLQTJ-WDEREUQCSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)CO[P@@](C)(=O)CC=O 238157003 573842224 /nfs/dbraw/zinc/84/22/24/573842224.db2.gz FBNHQTWRNUTTDQ-SGUJLRQBSA-N 0 0 178.168 2.596 10 0 AFAERN CC(C)C[C@@H]1CC[C@@H](C)C1=O 238156595 573842259 /nfs/dbraw/zinc/84/22/59/573842259.db2.gz ZLTBRMOTAWJAOL-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CC1CCC([C@@H]2CC(=O)CCO2)CC1 84340025 573842275 /nfs/dbraw/zinc/84/22/75/573842275.db2.gz OUCKEADJMQBXHR-CBINBANVSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1CCC[C@H](/C=C/[N+](=O)[O-])C1 84341592 573842283 /nfs/dbraw/zinc/84/22/83/573842283.db2.gz PRXAITMALBYLHR-VFPASMGPSA-N 0 0 169.224 2.603 10 0 AFAERN CC(C)[C@H]1CCC[C@H](CO)CC1 84348540 573842302 /nfs/dbraw/zinc/84/23/02/573842302.db2.gz ZJESAOWJNBLQTJ-QWRGUYRKSA-N 0 0 170.296 2.831 10 0 AFAERN C=CC1=C([C@@H](O)/C=C\C)CCCC1 393564944 573842373 /nfs/dbraw/zinc/84/23/73/573842373.db2.gz IOOZCVDRFWIZBZ-MIBUCLJRSA-N 0 0 178.275 2.980 10 0 AFAERN Cc1cc(-c2ccc(N)cn2)cs1 122872200 573842377 /nfs/dbraw/zinc/84/23/77/573842377.db2.gz ZXIHTZSIXAIWLB-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCSCCC[C@H]1CC[C@@H](O)C1 131350487 573847129 /nfs/dbraw/zinc/84/71/29/573847129.db2.gz DRDCJPZKLZTQDL-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)c1cc(C[C@@H](C)O)ccc1F 258160731 573846573 /nfs/dbraw/zinc/84/65/73/573846573.db2.gz VCUCMXXUJYSBED-SECBINFHSA-N 0 0 196.265 2.872 10 0 AFAERN Cc1ccnc(Nc2cccc(N)c2)c1 43561359 573846684 /nfs/dbraw/zinc/84/66/84/573846684.db2.gz RMRZXBRFSMTXAL-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cc1ccc(C(C)(C)CCO)cc1C 84353391 573846714 /nfs/dbraw/zinc/84/67/14/573846714.db2.gz DCSDMKMGPWGYNZ-UHFFFAOYSA-N 0 0 192.302 2.963 10 0 AFAERN CC(=O)CCc1ccc2ccccc2n1 84349385 573846841 /nfs/dbraw/zinc/84/68/41/573846841.db2.gz IUOVYGSSRYPTIH-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN Fc1ccc2c3c[nH]sc-3nc2c1 238536293 573846920 /nfs/dbraw/zinc/84/69/20/573846920.db2.gz CKNRFNNLAWAWBK-UHFFFAOYSA-N 0 0 192.218 2.917 10 0 AFAERN CN[C@@H](C)C(F)(F)c1ccccc1C 257888528 573847009 /nfs/dbraw/zinc/84/70/09/573847009.db2.gz TWZDPHAILLUSSN-VIFPVBQESA-N 0 0 199.244 2.695 10 0 AFAERN CN[C@H](C)C(F)(F)c1ccccc1C 257888525 573847065 /nfs/dbraw/zinc/84/70/65/573847065.db2.gz TWZDPHAILLUSSN-SECBINFHSA-N 0 0 199.244 2.695 10 0 AFAERN CCc1ccc(CC2(O)CCC2)cc1 84350355 573847068 /nfs/dbraw/zinc/84/70/68/573847068.db2.gz QCPLGCSWBJPFCN-UHFFFAOYSA-N 0 0 190.286 2.707 10 0 AFAERN C[C@@H](O)CCc1cc2ccccc2o1 84350784 573847075 /nfs/dbraw/zinc/84/70/75/573847075.db2.gz ARLHVDPDAHETBA-SECBINFHSA-N 0 0 190.242 2.746 10 0 AFAERN CC1(C)CSc2cc(O)ccc2N1 259209229 573847829 /nfs/dbraw/zinc/84/78/29/573847829.db2.gz LENXBSQQRDUGPA-UHFFFAOYSA-N 0 0 195.287 2.688 10 0 AFAERN CC[C@@H](O)CCCCCSC 131359309 573847854 /nfs/dbraw/zinc/84/78/54/573847854.db2.gz DGCWSLUXEAWMPW-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN Cc1c[nH]c(Oc2ccccc2C)n1 257887743 573847225 /nfs/dbraw/zinc/84/72/25/573847225.db2.gz LPGGMNZGALYAPO-UHFFFAOYSA-N 0 0 188.230 2.819 10 0 AFAERN CCOC(=O)/C=C/C=C1\CC[C@@H](C)C1 308451863 573847243 /nfs/dbraw/zinc/84/72/43/573847243.db2.gz ONONUAIYOOMDDY-GQXZSFHWSA-N 0 0 194.274 2.852 10 0 AFAERN Cc1cccc(C(=S)NC(C)C)c1 238159982 573847248 /nfs/dbraw/zinc/84/72/48/573847248.db2.gz KWWMXURXTIUGAT-UHFFFAOYSA-N 0 0 193.315 2.669 10 0 AFAERN CSc1cc([C@H](C)CO)ccc1C 258160550 573847346 /nfs/dbraw/zinc/84/73/46/573847346.db2.gz UXPZMNDGCGPPJN-SECBINFHSA-N 0 0 196.315 2.813 10 0 AFAERN CSc1cc([C@@H](C)CO)ccc1C 258160552 573847366 /nfs/dbraw/zinc/84/73/66/573847366.db2.gz UXPZMNDGCGPPJN-VIFPVBQESA-N 0 0 196.315 2.813 10 0 AFAERN CC[C@H](O)CCCCCSC 131359118 573847409 /nfs/dbraw/zinc/84/74/09/573847409.db2.gz DGCWSLUXEAWMPW-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN Cc1ccc(Cl)c(C[C@@H](C)O)c1C 258160229 573847411 /nfs/dbraw/zinc/84/74/11/573847411.db2.gz PHNZKQDYZXZQRI-MRVPVSSYSA-N 0 0 198.693 2.880 10 0 AFAERN CCOCC(=O)CC1CCC(C)CC1 308452895 573847456 /nfs/dbraw/zinc/84/74/56/573847456.db2.gz ANCOETBRAZKSHW-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1ccc(C)c(C(C)(C)CCO)c1 84353389 573847487 /nfs/dbraw/zinc/84/74/87/573847487.db2.gz HJIYHQHFZWICHW-UHFFFAOYSA-N 0 0 192.302 2.963 10 0 AFAERN Cc1cccc(-c2cnoc2N)c1C 258160534 573847605 /nfs/dbraw/zinc/84/76/05/573847605.db2.gz UXNKLOJQVQZUEN-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CSCCC[C@H]1CCC[C@@H](O)C1 131353024 573847661 /nfs/dbraw/zinc/84/76/61/573847661.db2.gz SDTMVMNWWNSEJA-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC1(C)C=C[C@@H](C(C)(C)C)C1=O 238150190 573847800 /nfs/dbraw/zinc/84/78/00/573847800.db2.gz SIKDSIMYKRMCJG-MRVPVSSYSA-N 0 0 166.264 2.814 10 0 AFAERN CC(C)=C[C@@]1(C)CCC(=O)C1 238167362 573859266 /nfs/dbraw/zinc/85/92/66/573859266.db2.gz HYXAPRBQTHKELH-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)OCC[C@@H]1C[C@H](C)CCC1=O 43652273 573859269 /nfs/dbraw/zinc/85/92/69/573859269.db2.gz SKBWBXQKYDAUSO-GHMZBOCLSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](Cc1cccc(C)c1)[C@H](C)O 43657099 573859278 /nfs/dbraw/zinc/85/92/78/573859278.db2.gz DFAWDSSSQSXHOA-WCQYABFASA-N 0 0 192.302 2.945 10 0 AFAERN CC(C)CCC[C@@H](O)C(C)C 43657903 573859283 /nfs/dbraw/zinc/85/92/83/573859283.db2.gz VFUOFVONEDBLIJ-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)[C@H](O)CCc1ccsc1 43658022 573859352 /nfs/dbraw/zinc/85/93/52/573859352.db2.gz NXCZCXLAZNICTA-SNVBAGLBSA-N 0 0 184.304 2.698 10 0 AFAERN CCc1ccc(C[C@@H](C)[C@@H](C)O)s1 43658652 573858590 /nfs/dbraw/zinc/85/85/90/573858590.db2.gz SXDLWTYZPUMOLC-RKDXNWHRSA-N 0 0 198.331 2.870 10 0 AFAERN Cc1ccc(C2(CO)CCCC2)s1 84359972 573858614 /nfs/dbraw/zinc/85/86/14/573858614.db2.gz LRVREWMRACKBRR-UHFFFAOYSA-N 0 0 196.315 2.861 10 0 AFAERN CC[C@@H](Cc1ccc(F)cc1)[C@@H](C)O 43657092 573858639 /nfs/dbraw/zinc/85/86/39/573858639.db2.gz KGQCTKBOOBLCID-KOLCDFICSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@H](Cc1cccc(F)c1)[C@H](C)O 43657087 573858673 /nfs/dbraw/zinc/85/86/73/573858673.db2.gz YYOINXWKBQAMTQ-GXSJLCMTSA-N 0 0 196.265 2.775 10 0 AFAERN Cc1ccc2c(c1)NCC[C@@H](C)N2 87261218 573858703 /nfs/dbraw/zinc/85/87/03/573858703.db2.gz NQSFBBYIYPYEGV-SECBINFHSA-N 0 0 176.263 2.611 10 0 AFAERN CC[C@H](Cc1ccc(C)cc1)[C@@H](C)O 43657089 573858719 /nfs/dbraw/zinc/85/87/19/573858719.db2.gz MYESIUYCSCIODI-DGCLKSJQSA-N 0 0 192.302 2.945 10 0 AFAERN CCc1oncc1NCCC(C)C 308456142 573858722 /nfs/dbraw/zinc/85/87/22/573858722.db2.gz GBPVPFUASGKXJZ-UHFFFAOYSA-N 0 0 182.267 2.695 10 0 AFAERN CC[C@H](Cc1cccc(C)c1)[C@@H](C)O 43657097 573858779 /nfs/dbraw/zinc/85/87/79/573858779.db2.gz DFAWDSSSQSXHOA-DGCLKSJQSA-N 0 0 192.302 2.945 10 0 AFAERN CCCCC[C@H](CC)[C@H](C)O 43656939 573858795 /nfs/dbraw/zinc/85/87/95/573858795.db2.gz SZUHCUOLGQSBTP-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CC(C)[C@H]1C[C@@](C)(C(N)=O)CC1(C)C 238169369 573858830 /nfs/dbraw/zinc/85/88/30/573858830.db2.gz RXYATYCAHKMSKG-BXKDBHETSA-N 0 0 197.322 2.570 10 0 AFAERN CC(C)OCCC[C@@H](O)C(C)(C)C 43657659 573858844 /nfs/dbraw/zinc/85/88/44/573858844.db2.gz YSAXESPDDIXIBQ-SNVBAGLBSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@@H](Cc1cccc(C)c1)[C@H](C)O 43657098 573858850 /nfs/dbraw/zinc/85/88/50/573858850.db2.gz DFAWDSSSQSXHOA-AAEUAGOBSA-N 0 0 192.302 2.945 10 0 AFAERN CC(=O)c1cc2c(cn1)CCCCC2 238168175 573858854 /nfs/dbraw/zinc/85/88/54/573858854.db2.gz QFELCRZKLPUMLB-UHFFFAOYSA-N 0 0 189.258 2.553 10 0 AFAERN CC(C)[C@@H]1CNc2ccc(F)cc2N1 87260728 573858883 /nfs/dbraw/zinc/85/88/83/573858883.db2.gz RZWZELIFRTTZMH-NSHDSACASA-N 0 0 194.253 2.688 10 0 AFAERN CCC[C@H]1C[C@H](CC)CC[C@@H]1O 43660770 573858886 /nfs/dbraw/zinc/85/88/86/573858886.db2.gz APCJGJRKDIPDKO-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)=C[C@H](O)c1ncccc1Cl 238169738 573858888 /nfs/dbraw/zinc/85/88/88/573858888.db2.gz WVVCBNRJWCNMKJ-VIFPVBQESA-N 0 0 197.665 2.735 10 0 AFAERN C=CC1=CC[C@@H](C)CC1 101249189 573858911 /nfs/dbraw/zinc/85/89/11/573858911.db2.gz TYCIZWULHXVEQW-MRVPVSSYSA-N 0 0 122.211 2.919 10 0 AFAERN CC[C@@H]1CNc2ccc(F)c(F)c2N1 87261203 573858959 /nfs/dbraw/zinc/85/89/59/573858959.db2.gz WVOINRJVYJEFSY-ZCFIWIBFSA-N 0 0 198.216 2.581 10 0 AFAERN CC(C)[C@@H](O)CCC1CCCC1 43658039 573859020 /nfs/dbraw/zinc/85/90/20/573859020.db2.gz HYCJTRAAYABCMH-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)=C[C@H](O)c1cnccc1Cl 238169722 573859096 /nfs/dbraw/zinc/85/90/96/573859096.db2.gz WGFPYBLRSSIDFE-JTQLQIEISA-N 0 0 197.665 2.735 10 0 AFAERN CC[C@@H](Cc1cccs1)[C@@H](C)O 43657003 573859099 /nfs/dbraw/zinc/85/90/99/573859099.db2.gz TYMPZUBDRGKGGT-BDAKNGLRSA-N 0 0 184.304 2.698 10 0 AFAERN C[C@@H](O)c1coc2cc(F)ccc12 257890119 573859107 /nfs/dbraw/zinc/85/91/07/573859107.db2.gz LBZYSBNUIGVVJY-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN Cc1ccc(CC[C@@H](O)C(C)C)cc1 43657981 573859128 /nfs/dbraw/zinc/85/91/28/573859128.db2.gz WLAGLTDKFJQUIS-CYBMUJFWSA-N 0 0 192.302 2.945 10 0 AFAERN Fc1ccnc(OC2CCCC2)c1 238546923 573859133 /nfs/dbraw/zinc/85/91/33/573859133.db2.gz FGJFOXVGTPIBHO-UHFFFAOYSA-N 0 0 181.210 2.542 10 0 AFAERN CC(C)OCC[C@H]1C[C@H](C)CCC1=O 43652277 573859136 /nfs/dbraw/zinc/85/91/36/573859136.db2.gz SKBWBXQKYDAUSO-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)[C@H](O)CCc1ccc(F)cc1 43657983 573859163 /nfs/dbraw/zinc/85/91/63/573859163.db2.gz PBQSKENILBLASP-GFCCVEGCSA-N 0 0 196.265 2.775 10 0 AFAERN C/C=C(C)/C=C/C(=O)OCCCC 308456859 573859172 /nfs/dbraw/zinc/85/91/72/573859172.db2.gz GEEAMJNDDJCUHK-LZIZUESTSA-N 0 0 182.263 2.852 10 0 AFAERN Cc1ccsc1-c1oc(N)nc1C 259213580 573859189 /nfs/dbraw/zinc/85/91/89/573859189.db2.gz RCDWYAVQXOLGAL-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CC(C)[C@H](O)CCc1cccc(F)c1 43657975 573859216 /nfs/dbraw/zinc/85/92/16/573859216.db2.gz HIKWMZCQWQNRFE-GFCCVEGCSA-N 0 0 196.265 2.775 10 0 AFAERN CC(=O)c1cc2c(O)cccc2s1 238169351 573861605 /nfs/dbraw/zinc/86/16/05/573861605.db2.gz YKTWCYVAJTUCJH-UHFFFAOYSA-N 0 0 192.239 2.810 10 0 AFAERN CSCCCC1=C[C@H](O)CCC1 131375692 573861637 /nfs/dbraw/zinc/86/16/37/573861637.db2.gz QSNMPURBTWKKGR-SNVBAGLBSA-N 0 0 186.320 2.601 10 0 AFAERN CCN1C[C@H](C)CNc2ccccc21 87262217 573861713 /nfs/dbraw/zinc/86/17/13/573861713.db2.gz QTNDBPBNWKRFTI-SNVBAGLBSA-N 0 0 190.290 2.575 10 0 AFAERN C[C@]1(C2CC2)CNc2ccccc2N1 87261813 573861724 /nfs/dbraw/zinc/86/17/24/573861724.db2.gz PBZCNVCIAZYEPQ-GFCCVEGCSA-N 0 0 188.274 2.693 10 0 AFAERN CC[C@@H]1CC[C@](O)(C(C)(C)C)C1 84375296 573861730 /nfs/dbraw/zinc/86/17/30/573861730.db2.gz LOTGHXFDTMIWBZ-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@H]1CNc2c(F)cccc2N1 87260722 573861738 /nfs/dbraw/zinc/86/17/38/573861738.db2.gz MWOABXMAVLRLGK-SNVBAGLBSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@H]1C[C@@](O)(C2CC2)CC[C@H]1C 84375324 573861764 /nfs/dbraw/zinc/86/17/64/573861764.db2.gz ZMKJSYMTRCMMKF-WCABBAIRSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1CNc2ccc(Cl)cc2NC1 87261486 573861765 /nfs/dbraw/zinc/86/17/65/573861765.db2.gz AUMSJJDYGNKZRI-ZETCQYMHSA-N 0 0 196.681 2.814 10 0 AFAERN C[C@H]1CC[C@](O)(C(C)(C)C)C1 84375289 573861862 /nfs/dbraw/zinc/86/18/62/573861862.db2.gz FEPZVPUYPYUDIO-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN C=CC1=CC[C@H](C)CC1 101249186 573861868 /nfs/dbraw/zinc/86/18/68/573861868.db2.gz TYCIZWULHXVEQW-QMMMGPOBSA-N 0 0 122.211 2.919 10 0 AFAERN Cc1cccc(/C=C2/C[C@@H]2[C@@H](C)O)c1 308457288 573861903 /nfs/dbraw/zinc/86/19/03/573861903.db2.gz XXBBQGTWEIVQFW-SRQBGWNRSA-N 0 0 188.270 2.779 10 0 AFAERN CCCCC[C@H]1OC=CCC[C@@H]1O 215101258 573861932 /nfs/dbraw/zinc/86/19/32/573861932.db2.gz YQENQWDUTATXHD-WDEREUQCSA-N 0 0 184.279 2.620 10 0 AFAERN O[C@]1(C2CC2)CCC[C@@H](C2CC2)C1 84375313 573861992 /nfs/dbraw/zinc/86/19/92/573861992.db2.gz FVDLEROZWDBDFA-ZYHUDNBSSA-N 0 0 180.291 2.728 10 0 AFAERN CC[C@@](O)(C1CC1)C(C)(C)C 84375362 573862018 /nfs/dbraw/zinc/86/20/18/573862018.db2.gz SMVSBWQUVONMKA-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@](O)(C1CC1)C(C)(C)C 84375363 573862023 /nfs/dbraw/zinc/86/20/23/573862023.db2.gz SMVSBWQUVONMKA-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN c1c[nH]c(-c2nc3ccccc3o2)c1 101268780 573862100 /nfs/dbraw/zinc/86/21/00/573862100.db2.gz GBXUJGLSQCSNRP-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Cc1cc2[nH]c(CO)c(C)c2cc1C 257890689 573862132 /nfs/dbraw/zinc/86/21/32/573862132.db2.gz XADIIWDLPRLNLE-UHFFFAOYSA-N 0 0 189.258 2.585 10 0 AFAERN CON(CC[C@H](C)F)CC(C)(C)C 308457683 573862155 /nfs/dbraw/zinc/86/21/55/573862155.db2.gz GMGWROOGVWWKPK-VIFPVBQESA-N 0 0 191.290 2.644 10 0 AFAERN C=C=C[C@@H](O)c1c(C)cc(C)cc1C 238547236 573862188 /nfs/dbraw/zinc/86/21/88/573862188.db2.gz ABNYLKSAYRIKQL-GFCCVEGCSA-N 0 0 188.270 2.986 10 0 AFAERN CC[C@H]1CCC[C@](O)(C2CC2)C1 84375267 573862201 /nfs/dbraw/zinc/86/22/01/573862201.db2.gz LNRDAPWUHGSFDT-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccnc(-c2ccco2)c1C 238547053 573862225 /nfs/dbraw/zinc/86/22/25/573862225.db2.gz WKWBTRSOUFJJKY-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CC1(C)CCC[C@@](O)(C2CC2)C1 84375287 573862228 /nfs/dbraw/zinc/86/22/28/573862228.db2.gz PSCWVMFLKHXGJH-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccnc(-c2ccccc2N)c1 238546975 573862263 /nfs/dbraw/zinc/86/22/63/573862263.db2.gz ATZSOKGUQLFYGL-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Fc1cc2cnoc2cc1Cl 238546214 573862271 /nfs/dbraw/zinc/86/22/71/573862271.db2.gz ROEJDQPSWQZVNS-UHFFFAOYSA-N 0 0 171.558 2.620 10 0 AFAERN C[C@@H]1CCC[C@]1(O)C(C)(C)C 84375372 573862293 /nfs/dbraw/zinc/86/22/93/573862293.db2.gz VMZCTBCYXJUEFT-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN Clc1ccc2c(c1)Cc1c[nH]nc1-2 223557872 573862295 /nfs/dbraw/zinc/86/22/95/573862295.db2.gz YDJKYZMPEJWVRE-UHFFFAOYSA-N 0 0 190.633 2.634 10 0 AFAERN O=C1CC[C@@H](c2ccnc(Cl)c2)C1 238547519 573862318 /nfs/dbraw/zinc/86/23/18/573862318.db2.gz XVFOZNBLTVXUJI-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN CC(C)=C[C@H]1CC(=O)C1(C)C 238169982 573864950 /nfs/dbraw/zinc/86/49/50/573864950.db2.gz ADIWSFBGIACVGI-QMMMGPOBSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@@H]1C[C@]1(C)[C@@H]1CC1(C)C 238171756 573864973 /nfs/dbraw/zinc/86/49/73/573864973.db2.gz VNFLCOZMTOMYSW-NGZCFLSTSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cc(F)c2c(c1)[C@@H](CCO)CC2 238540504 573864976 /nfs/dbraw/zinc/86/49/76/573864976.db2.gz KOGMKXHNLCXZDK-SECBINFHSA-N 0 0 194.249 2.546 10 0 AFAERN CC(C)(C)[C@@H](O)c1ccc(Cl)cn1 87285744 573864978 /nfs/dbraw/zinc/86/49/78/573864978.db2.gz ITJOMUQTTWLAJU-VIFPVBQESA-N 0 0 199.681 2.815 10 0 AFAERN Cc1ccc([C@H](C)O)c2c1CCCC2 258165685 573865058 /nfs/dbraw/zinc/86/50/58/573865058.db2.gz VJOHZFBEXUAZNK-JTQLQIEISA-N 0 0 190.286 2.927 10 0 AFAERN CCC[C@@H](O)c1cscc1C 87288140 573865067 /nfs/dbraw/zinc/86/50/67/573865067.db2.gz XVSIQHPAQDOMLH-SECBINFHSA-N 0 0 170.277 2.890 10 0 AFAERN CC(=O)[C@H]1C=C[C@@H](C(C)(C)C)C1 238169840 573865122 /nfs/dbraw/zinc/86/51/22/573865122.db2.gz HMXCYGYZQGSQOZ-VHSXEESVSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1ccc(Oc2cnsn2)cc1 76500920 573865140 /nfs/dbraw/zinc/86/51/40/573865140.db2.gz FEMVPZJWXPGINB-UHFFFAOYSA-N 0 0 192.243 2.639 10 0 AFAERN Cc1ccccc1Oc1cnsn1 76500912 573865155 /nfs/dbraw/zinc/86/51/55/573865155.db2.gz CSXICXCVXDQFGW-UHFFFAOYSA-N 0 0 192.243 2.639 10 0 AFAERN CC1(C)OCC[C@@H]1c1cccc(O)c1 238171485 573865199 /nfs/dbraw/zinc/86/51/99/573865199.db2.gz ONCKNXDORUEAMD-LLVKDONJSA-N 0 0 192.258 2.675 10 0 AFAERN CC1(C)NCc2cc(Cl)ccc2N1 238172073 573865236 /nfs/dbraw/zinc/86/52/36/573865236.db2.gz NZGUZCKBPFONTM-UHFFFAOYSA-N 0 0 196.681 2.591 10 0 AFAERN Cc1ccc(C(CO)=C2CC2)cc1 238540153 573865277 /nfs/dbraw/zinc/86/52/77/573865277.db2.gz XQMGMWOGZGUVFN-UHFFFAOYSA-N 0 0 174.243 2.535 10 0 AFAERN Cc1nc(N)cc(C(F)F)c1Cl 238549292 573865292 /nfs/dbraw/zinc/86/52/92/573865292.db2.gz GRYARWAEJPGBFE-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC1(C)C=C1[C@@H](O)C1CCCC1 238171179 573865351 /nfs/dbraw/zinc/86/53/51/573865351.db2.gz PBRVJBOAGQBGIP-JTQLQIEISA-N 0 0 166.264 2.504 10 0 AFAERN CC(C)[C@H]1C[C@H](C)n2c(CO)ccc21 238170381 573865361 /nfs/dbraw/zinc/86/53/61/573865361.db2.gz VBUXXPQOTVFGRD-GXSJLCMTSA-N 0 0 193.290 2.685 10 0 AFAERN Cc1cc(C)c(Cl)c(NC=O)c1 238540573 573865411 /nfs/dbraw/zinc/86/54/11/573865411.db2.gz CWWXVXNGOAHFPI-UHFFFAOYSA-N 0 0 183.638 2.525 10 0 AFAERN CC(C)C[C@H](C)C(=O)C1(O)CCCC1 308457464 573865436 /nfs/dbraw/zinc/86/54/36/573865436.db2.gz FEZJLYWPNJUKSN-JTQLQIEISA-N 0 0 198.306 2.543 10 0 AFAERN Cc1cscc1C(=O)C(C)C 87287958 573865450 /nfs/dbraw/zinc/86/54/50/573865450.db2.gz QBISHZFMOJZNOG-UHFFFAOYSA-N 0 0 168.261 2.895 10 0 AFAERN Cc1c(O)ccc2c1CCCCC2 238540268 573865461 /nfs/dbraw/zinc/86/54/61/573865461.db2.gz LTNZOXJTMRWLTH-UHFFFAOYSA-N 0 0 176.259 2.970 10 0 AFAERN CC(C)c1ccnc(Cl)c1C=O 238172111 573865484 /nfs/dbraw/zinc/86/54/84/573865484.db2.gz IFTXCIHQWVDAPB-UHFFFAOYSA-N 0 0 183.638 2.671 10 0 AFAERN CC(C)=CCC[C@H](C)[C@@H]1CO[C@H](O)C1 308458292 573865520 /nfs/dbraw/zinc/86/55/20/573865520.db2.gz YJSPOKDQFMYTTJ-SRVKXCTJSA-N 0 0 198.306 2.724 10 0 AFAERN CC(C)C[C@@H](C)C(=O)C1(O)CCCC1 308457465 573865529 /nfs/dbraw/zinc/86/55/29/573865529.db2.gz FEZJLYWPNJUKSN-SNVBAGLBSA-N 0 0 198.306 2.543 10 0 AFAERN O=C1CSCc2ccc(Cl)cc21 125309220 573865542 /nfs/dbraw/zinc/86/55/42/573865542.db2.gz GTVNFWIZGRGVDX-UHFFFAOYSA-N 0 0 198.674 2.770 10 0 AFAERN CC1(C)OCC[C@H]1c1cccc(O)c1 238171740 573865588 /nfs/dbraw/zinc/86/55/88/573865588.db2.gz ONCKNXDORUEAMD-NSHDSACASA-N 0 0 192.258 2.675 10 0 AFAERN C[C@]12CCC(=O)[C@@H]1C[C@@H]1CCC[C@@H]12 238540879 573865626 /nfs/dbraw/zinc/86/56/26/573865626.db2.gz DMLOAGSSDAZVMM-QFOLPQNPSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)=C[C@]12CCC[C@@H]1CCC(=O)O2 238172859 573865631 /nfs/dbraw/zinc/86/56/31/573865631.db2.gz VTLKBAPZTARNCC-ZYHUDNBSSA-N 0 0 194.274 2.829 10 0 AFAERN Nc1cocc1-c1ccccc1F 258164588 573865654 /nfs/dbraw/zinc/86/56/54/573865654.db2.gz QWCRPWFYGBDKIP-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CC(C)=C[C@@H]1C(=O)[C@H]1C=C(C)C 238171617 573865656 /nfs/dbraw/zinc/86/56/56/573865656.db2.gz HETSXJXXXQYHPA-UWVGGRQHSA-N 0 0 164.248 2.734 10 0 AFAERN Cc1cccc(/C=C2/C[C@@H]2[C@H](C)O)c1 308457289 573865716 /nfs/dbraw/zinc/86/57/16/573865716.db2.gz XXBBQGTWEIVQFW-WYYMQPIYSA-N 0 0 188.270 2.779 10 0 AFAERN Cc1cc(C)c(Cl)o1 238540718 573865718 /nfs/dbraw/zinc/86/57/18/573865718.db2.gz GZVHWGQYYGWLMM-UHFFFAOYSA-N 0 0 130.574 2.550 10 0 AFAERN Cc1cscc1[C@H](O)c1ccco1 87288095 573865819 /nfs/dbraw/zinc/86/58/19/573865819.db2.gz INXSIWGSFFUGLI-JTQLQIEISA-N 0 0 194.255 2.731 10 0 AFAERN COc1ccc(F)c(-n2cccc2)c1 87287206 573865993 /nfs/dbraw/zinc/86/59/93/573865993.db2.gz SLJYKUHPFAZWQP-UHFFFAOYSA-N 0 0 191.205 2.625 10 0 AFAERN C[C@H]1C[C@H](c2ccccc2)CC[C@@H]1O 43661375 573866150 /nfs/dbraw/zinc/86/61/50/573866150.db2.gz JTRSYMMHJPNRJA-UHTWSYAYSA-N 0 0 190.286 2.951 10 0 AFAERN Cc1ccc2oncc2c1Cl 238540339 573866200 /nfs/dbraw/zinc/86/62/00/573866200.db2.gz KDNFCOMUXBAERI-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN Cc1coc2cc([C@@H](C)CO)ccc12 258165681 573866219 /nfs/dbraw/zinc/86/62/19/573866219.db2.gz VJNCOEOKYRBLLP-QMMMGPOBSA-N 0 0 190.242 2.837 10 0 AFAERN CC(C)C[C@H](O)c1ccc(Cl)cn1 87285843 573866290 /nfs/dbraw/zinc/86/62/90/573866290.db2.gz FRRGGBNHFBPHQE-JTQLQIEISA-N 0 0 199.681 2.815 10 0 AFAERN Cc1cscc1[C@@H](O)c1ccco1 87288096 573866301 /nfs/dbraw/zinc/86/63/01/573866301.db2.gz INXSIWGSFFUGLI-SNVBAGLBSA-N 0 0 194.255 2.731 10 0 AFAERN CC(C)[C@@H]1C[C@](C)(C(N)=O)CC1(C)C 238163181 573866346 /nfs/dbraw/zinc/86/63/46/573866346.db2.gz RXYATYCAHKMSKG-CABZTGNLSA-N 0 0 197.322 2.570 10 0 AFAERN CCC(=O)c1cscc1C 87287959 573866364 /nfs/dbraw/zinc/86/63/64/573866364.db2.gz BSPFACSBVURANG-UHFFFAOYSA-N 0 0 154.234 2.649 10 0 AFAERN CC(C)[C@@H]1C[C@H](C)n2c(CO)ccc21 238161811 573866455 /nfs/dbraw/zinc/86/64/55/573866455.db2.gz VBUXXPQOTVFGRD-ONGXEEELSA-N 0 0 193.290 2.685 10 0 AFAERN O=C(CC1CC1)c1ccc(Cl)cn1 87285692 573866582 /nfs/dbraw/zinc/86/65/82/573866582.db2.gz DSPPVJGUZCRQPJ-UHFFFAOYSA-N 0 0 195.649 2.718 10 0 AFAERN CC[C@@H](C)C(=O)c1ccc(Cl)cn1 87285674 573866601 /nfs/dbraw/zinc/86/66/01/573866601.db2.gz RITOMRRKTOFDBB-SSDOTTSWSA-N 0 0 197.665 2.964 10 0 AFAERN CCC(CC)(CC)[C@@H](C)O 79709813 573866606 /nfs/dbraw/zinc/86/66/06/573866606.db2.gz IENXYHLNFHBNRR-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN CC(C)CC(=O)c1ccc(Cl)cn1 87285645 573866662 /nfs/dbraw/zinc/86/66/62/573866662.db2.gz INTOKDQSWOBDLF-UHFFFAOYSA-N 0 0 197.665 2.964 10 0 AFAERN Cc1coc2cc([C@H](C)CO)ccc12 258165678 573866703 /nfs/dbraw/zinc/86/67/03/573866703.db2.gz VJNCOEOKYRBLLP-MRVPVSSYSA-N 0 0 190.242 2.837 10 0 AFAERN CC(C)(CC1=CCCCCC1)C(N)=O 238162781 573866795 /nfs/dbraw/zinc/86/67/95/573866795.db2.gz WJPIPDAWJNFVNI-UHFFFAOYSA-N 0 0 195.306 2.779 10 0 AFAERN NC(=O)[C@@]12CCCCC[C@H]1CCCC2 238548920 573866806 /nfs/dbraw/zinc/86/68/06/573866806.db2.gz HZBZLJXEKDABJP-CMPLNLGQSA-N 0 0 195.306 2.612 10 0 AFAERN CC(=O)[C@H](C)c1cc(F)cc(F)c1 87283446 573866807 /nfs/dbraw/zinc/86/68/07/573866807.db2.gz UQYKSJCMKCOWPM-LURJTMIESA-N 0 0 184.185 2.657 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@H](C)SC2 125317361 573866887 /nfs/dbraw/zinc/86/68/87/573866887.db2.gz GPVRHFAZEJLELS-QMMMGPOBSA-N 0 0 192.283 2.813 10 0 AFAERN CC(C)(C)[C@@H]1NCc2ccccc2N1 238162719 573866947 /nfs/dbraw/zinc/86/69/47/573866947.db2.gz JBWBLDUPXJPFDM-LLVKDONJSA-N 0 0 190.290 2.574 10 0 AFAERN Cc1ccc(C)c2c1CSCC2=O 125308752 573867008 /nfs/dbraw/zinc/86/70/08/573867008.db2.gz SLURLLPOAYLXDJ-UHFFFAOYSA-N 0 0 192.283 2.733 10 0 AFAERN CC(=O)[C@@H]1CCCC(C)=C1C 238162828 573867073 /nfs/dbraw/zinc/86/70/73/573867073.db2.gz DWKVXIIGIMUPLG-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CCCNc1cc(OC)ccc1F 87286954 573867102 /nfs/dbraw/zinc/86/71/02/573867102.db2.gz GDGHQMURIHTWMG-UHFFFAOYSA-N 0 0 183.226 2.656 10 0 AFAERN CC(C)(C)[C@H](O)c1ccc(Cl)cn1 87285743 573867225 /nfs/dbraw/zinc/86/72/25/573867225.db2.gz ITJOMUQTTWLAJU-SECBINFHSA-N 0 0 199.681 2.815 10 0 AFAERN CC(=O)[C@@H]1CCC(Cl)=C(C)C1 238162217 573867274 /nfs/dbraw/zinc/86/72/74/573867274.db2.gz RVUMUNYKOVCPHH-MRVPVSSYSA-N 0 0 172.655 2.888 10 0 AFAERN C=C/C=C/[C@H]1C=CC[C@H]1C(C)=O 238161705 573867311 /nfs/dbraw/zinc/86/73/11/573867311.db2.gz JNEAFRRIRFINAL-LJRGRFNSSA-N 0 0 162.232 2.510 10 0 AFAERN CC(=O)c1sc(C)c(C)c1C 238162378 573867345 /nfs/dbraw/zinc/86/73/45/573867345.db2.gz HHTCOIWKPVYMJU-UHFFFAOYSA-N 0 0 168.261 2.876 10 0 AFAERN Cc1cccc(SC(C)(C)CO)c1 238540599 573867346 /nfs/dbraw/zinc/86/73/46/573867346.db2.gz NFUJRLWVDQCJEN-UHFFFAOYSA-N 0 0 196.315 2.858 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ccc(Cl)cn1 87285875 573867385 /nfs/dbraw/zinc/86/73/85/573867385.db2.gz YCHBEEQIRCQJRY-GMSGAONNSA-N 0 0 199.681 2.815 10 0 AFAERN C=C=C(C)[C@@H](O)c1ccc(C)cc1 238163143 573867403 /nfs/dbraw/zinc/86/74/03/573867403.db2.gz YZLOCOXCNUSKOC-GFCCVEGCSA-N 0 0 174.243 2.760 10 0 AFAERN Clc1cccc2c1[C@H]1C[C@@H]2C=CN1 238552004 573876390 /nfs/dbraw/zinc/87/63/90/573876390.db2.gz NBKKSSLDXROJES-OIBJUYFYSA-N 0 0 191.661 2.985 10 0 AFAERN Fc1cc(Cl)c(C(F)F)cn1 238551914 573876451 /nfs/dbraw/zinc/87/64/51/573876451.db2.gz LLYCROUOUKVEDI-UHFFFAOYSA-N 0 0 181.544 2.812 10 0 AFAERN CC(C)=C[C@@H](O)c1cnccc1Cl 238163423 573875806 /nfs/dbraw/zinc/87/58/06/573875806.db2.gz WGFPYBLRSSIDFE-SNVBAGLBSA-N 0 0 197.665 2.735 10 0 AFAERN CC(C)c1cccc([C@H](C)CO)c1O 238164431 573875812 /nfs/dbraw/zinc/87/58/12/573875812.db2.gz QDBDLFDLLLYEEL-SECBINFHSA-N 0 0 194.274 2.611 10 0 AFAERN CCC[C@@H]1CCNc2cc(N)ccc21 80061419 573875840 /nfs/dbraw/zinc/87/58/40/573875840.db2.gz CWFCXNPEHZJDEM-SECBINFHSA-N 0 0 190.290 2.968 10 0 AFAERN CC(=O)C[C@@H]1C[C@@]1(C)C=C(C)C 238172526 573875842 /nfs/dbraw/zinc/87/58/42/573875842.db2.gz MAUMQLVDVFVQJQ-GHMZBOCLSA-N 0 0 166.264 2.958 10 0 AFAERN CC1(C(=O)c2ccc[nH]2)CCCC1 87315847 573875848 /nfs/dbraw/zinc/87/58/48/573875848.db2.gz DQOQPPXIIHLSDR-UHFFFAOYSA-N 0 0 177.247 2.778 10 0 AFAERN Cc1cc(Cl)c(C)c(CN(C)O)c1 215002048 573875859 /nfs/dbraw/zinc/87/58/59/573875859.db2.gz GHEFAPMMSQBNHW-UHFFFAOYSA-N 0 0 199.681 2.778 10 0 AFAERN CC1(C)CNc2cccc(O)c2S1 258441614 573875948 /nfs/dbraw/zinc/87/59/48/573875948.db2.gz GOPOZYYWQFIVGS-UHFFFAOYSA-N 0 0 195.287 2.688 10 0 AFAERN Cc1cscc1Cn1cccc1 87311276 573876131 /nfs/dbraw/zinc/87/61/31/573876131.db2.gz LFQBMDJOSVNDKU-UHFFFAOYSA-N 0 0 177.272 2.906 10 0 AFAERN C[C@H]1CSc2ccc(C=O)cc21 257895638 573876286 /nfs/dbraw/zinc/87/62/86/573876286.db2.gz ACNWXTHTXLLAII-ZETCQYMHSA-N 0 0 178.256 2.708 10 0 AFAERN CC(C)[C@@H]1NC(=O)Nc2ccccc21 238165633 573878035 /nfs/dbraw/zinc/87/80/35/573878035.db2.gz NPZKNIYVVCRNQJ-JTQLQIEISA-N 0 0 190.246 2.519 10 0 AFAERN Cc1ccc(NCC(F)(F)F)o1 259218697 573878163 /nfs/dbraw/zinc/87/81/63/573878163.db2.gz XPSGZLUXPLGMCX-UHFFFAOYSA-N 0 0 179.141 2.562 10 0 AFAERN CC(C)(CO)c1cccc2occc12 258171120 573878404 /nfs/dbraw/zinc/87/84/04/573878404.db2.gz VVMFJDBJUCRDAO-UHFFFAOYSA-N 0 0 190.242 2.703 10 0 AFAERN CC(=O)[C@@H]1C[C@H]2CCCCC[C@@H]21 238176569 573878452 /nfs/dbraw/zinc/87/84/52/573878452.db2.gz LQHDZDQVDYPRPP-VWYCJHECSA-N 0 0 166.264 2.792 10 0 AFAERN CC1=C[C@@H](O)C[C@@H](c2ccccc2)C1 238176484 573878456 /nfs/dbraw/zinc/87/84/56/573878456.db2.gz XJTZQNLTBPIPGV-QWHCGFSZSA-N 0 0 188.270 2.871 10 0 AFAERN CC(C)C[C@]1(C)[C@@H](CO)C12C=CC=C2 238165768 573878560 /nfs/dbraw/zinc/87/85/60/573878560.db2.gz AZJBYMMXLHDUNJ-VXGBXAGGSA-N 0 0 192.302 2.773 10 0 AFAERN CC(=O)c1cc(C)c(C2CC2)c(C)n1 238165543 573878588 /nfs/dbraw/zinc/87/85/88/573878588.db2.gz KMXYOLNPBGRKIH-UHFFFAOYSA-N 0 0 189.258 2.778 10 0 AFAERN CC1=C[C@@H](O)C[C@H](c2ccccc2)C1 238176560 573878625 /nfs/dbraw/zinc/87/86/25/573878625.db2.gz XJTZQNLTBPIPGV-CHWSQXEVSA-N 0 0 188.270 2.871 10 0 AFAERN Cc1cc2c([C@H](C)O)cccc2o1 258171262 573878718 /nfs/dbraw/zinc/87/87/18/573878718.db2.gz SETGPRAKJNEPEI-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN CC(C)c1n[nH]cc1OC1CCCC1 238177411 573883975 /nfs/dbraw/zinc/88/39/75/573883975.db2.gz LBFAAIGLZKHINW-UHFFFAOYSA-N 0 0 194.278 2.855 10 0 AFAERN C/C=C/C(=O)N[C@@H]1CC[C@@H](CC)[C@H]1C 87333832 573884064 /nfs/dbraw/zinc/88/40/64/573884064.db2.gz ZQLRCCYYHXFUCT-RXIJRAFESA-N 0 0 195.306 2.503 10 0 AFAERN CC(C)[C@@H]1Cc2cc(Cl)cnc2N1 257893873 573884135 /nfs/dbraw/zinc/88/41/35/573884135.db2.gz XQNSOJXFENQPRB-VIFPVBQESA-N 0 0 196.681 2.728 10 0 AFAERN CCC1([C@@]2(O)C[C@H]2C)CCCC1 87329760 573884209 /nfs/dbraw/zinc/88/42/09/573884209.db2.gz XOFMEDDSHTUGLU-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN CC1([C@H](O)c2cc[nH]c2)CCCC1 87318407 573884217 /nfs/dbraw/zinc/88/42/17/573884217.db2.gz ZIMVESDMOFXEKT-SNVBAGLBSA-N 0 0 179.263 2.628 10 0 AFAERN CC1([C@@H](O)c2ccc[nH]2)CCCC1 87318397 573884343 /nfs/dbraw/zinc/88/43/43/573884343.db2.gz VIKLHEITMCSIQW-JTQLQIEISA-N 0 0 179.263 2.628 10 0 AFAERN Clc1cnnc(-c2cccs2)c1 238560806 573884353 /nfs/dbraw/zinc/88/43/53/573884353.db2.gz IKEOENLSDHIZEN-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN CCC1([C@@]2(O)C[C@@H]2C)CCCC1 87329753 573884421 /nfs/dbraw/zinc/88/44/21/573884421.db2.gz XOFMEDDSHTUGLU-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(C)cc1F 87333185 573884445 /nfs/dbraw/zinc/88/44/45/573884445.db2.gz DCPSTMKKFVDLDX-BXKDBHETSA-N 0 0 194.249 2.752 10 0 AFAERN C/C=C/C(=O)N[C@@H]1CC[C@H](CC)[C@H]1C 87333834 573884503 /nfs/dbraw/zinc/88/45/03/573884503.db2.gz ZQLRCCYYHXFUCT-AHSGZEFJSA-N 0 0 195.306 2.503 10 0 AFAERN CCC1(C(=O)NC(C)(C)C)CCCC1 87317490 573884511 /nfs/dbraw/zinc/88/45/11/573884511.db2.gz RLVFQUOYHGICGM-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN Cc1ccn2c(-c3ccco3)ncc2c1 258172379 573884560 /nfs/dbraw/zinc/88/45/60/573884560.db2.gz IQVVHVGWZZKVPE-UHFFFAOYSA-N 0 0 198.225 2.903 10 0 AFAERN CCC(=O)[C@@H](C)C1CCCC1 76590250 573886197 /nfs/dbraw/zinc/88/61/97/573886197.db2.gz FIIWFYDYOOTROD-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(C)c(CN(C)O)cc1Cl 215002397 573886233 /nfs/dbraw/zinc/88/62/33/573886233.db2.gz OYDDVJPARSVHKK-UHFFFAOYSA-N 0 0 199.681 2.778 10 0 AFAERN Cc1ccc(-c2cc(C)no2)c(O)c1 238555465 573886326 /nfs/dbraw/zinc/88/63/26/573886326.db2.gz PDTONJCVLSRLHY-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN Fc1cc(F)c2c3c([nH]c2c1)CCC3 238555309 573886359 /nfs/dbraw/zinc/88/63/59/573886359.db2.gz LCSZORMAQZJKPE-UHFFFAOYSA-N 0 0 193.196 2.935 10 0 AFAERN O=C1CCC[C@@H]1c1cc(Cl)ccn1 238554464 573886366 /nfs/dbraw/zinc/88/63/66/573886366.db2.gz IYDNMALLFIUIDK-MRVPVSSYSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1cc(CN(C)O)cc(C)c1Cl 215002472 573886567 /nfs/dbraw/zinc/88/65/67/573886567.db2.gz JGFYEKPVSUMYOG-UHFFFAOYSA-N 0 0 199.681 2.778 10 0 AFAERN CC(C)=C1NC(=S)c2ccccc21 238179910 573886568 /nfs/dbraw/zinc/88/65/68/573886568.db2.gz WOYCWGJKSRQIBL-UHFFFAOYSA-N 0 0 189.283 2.716 10 0 AFAERN Cc1ccc(-c2cc(C)on2)c(O)c1 238555507 573886603 /nfs/dbraw/zinc/88/66/03/573886603.db2.gz GZCPMSIEUKEELR-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN CC[C@H](O)[C@H]1C=Cc2ccccc21 80316114 573890130 /nfs/dbraw/zinc/89/01/30/573890130.db2.gz YQNQMGRTYJPXSB-RYUDHWBXSA-N 0 0 174.243 2.568 10 0 AFAERN CCC(C)(C)OC[C@H](O)C(C)(C)C 44229015 573890133 /nfs/dbraw/zinc/89/01/33/573890133.db2.gz QVHCCAGGDSIYDX-VIFPVBQESA-N 0 0 188.311 2.599 10 0 AFAERN CCc1ccc(NC2CC2)cc1 76593982 573890151 /nfs/dbraw/zinc/89/01/51/573890151.db2.gz MGAFNGLODXRSRN-UHFFFAOYSA-N 0 0 161.248 2.823 10 0 AFAERN CCCCCCO[C@@H](C)[C@@H](O)CC 44229422 573890173 /nfs/dbraw/zinc/89/01/73/573890173.db2.gz VSGXZWGBJPGHMV-QWRGUYRKSA-N 0 0 188.311 2.743 10 0 AFAERN CCC(C)(C)OC[C@@H](O)C(C)(C)C 44229019 573890180 /nfs/dbraw/zinc/89/01/80/573890180.db2.gz QVHCCAGGDSIYDX-SECBINFHSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)(C)[C@H](O)[C@H]1C=CC=CCC1 238180632 573890220 /nfs/dbraw/zinc/89/02/20/573890220.db2.gz ICTCIOPSBMKHHM-WDEREUQCSA-N 0 0 180.291 2.916 10 0 AFAERN C[C@H]1SC[C@@H](O)c2ccccc21 125381778 573890233 /nfs/dbraw/zinc/89/02/33/573890233.db2.gz NWQXYJWGGKIOGX-GMSGAONNSA-N 0 0 180.272 2.528 10 0 AFAERN Nc1cnccc1[C@H]1CCCCS1 258174165 573890236 /nfs/dbraw/zinc/89/02/36/573890236.db2.gz UNXACXZXOYABEN-SNVBAGLBSA-N 0 0 194.303 2.622 10 0 AFAERN C[C@H](CO)c1cc2c(F)cccc2o1 257894676 573890284 /nfs/dbraw/zinc/89/02/84/573890284.db2.gz LRFSJAOLYNAGFK-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN Clc1cnccc1C1CC1 80314700 573890371 /nfs/dbraw/zinc/89/03/71/573890371.db2.gz SXPDDWRICCJCNS-UHFFFAOYSA-N 0 0 153.612 2.612 10 0 AFAERN COCc1c[nH]c2c(C)cccc12 257894134 573890390 /nfs/dbraw/zinc/89/03/90/573890390.db2.gz MYVQIZBSAAORSJ-UHFFFAOYSA-N 0 0 175.231 2.623 10 0 AFAERN CC(C)c1ccc2ccc(=O)oc2c1 144981084 573890522 /nfs/dbraw/zinc/89/05/22/573890522.db2.gz HCYZRCRTWMRJJQ-UHFFFAOYSA-N 0 0 188.226 2.916 10 0 AFAERN Clc1nc(Cc2ccccc2)c[nH]1 238562265 573890535 /nfs/dbraw/zinc/89/05/35/573890535.db2.gz GJONVDHKUKWHCF-UHFFFAOYSA-N 0 0 192.649 2.654 10 0 AFAERN O=Cc1ccc(CC2CC2)nc1Cl 238562164 573890678 /nfs/dbraw/zinc/89/06/78/573890678.db2.gz DTBDJLMPMIKPDM-UHFFFAOYSA-N 0 0 195.649 2.500 10 0 AFAERN C[C@@H](CO)c1cc2c(F)cccc2o1 257894677 573890724 /nfs/dbraw/zinc/89/07/24/573890724.db2.gz LRFSJAOLYNAGFK-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN O[C@H]1CC[C@H]2CCCCC[C@H]2C1 76596814 573890732 /nfs/dbraw/zinc/89/07/32/573890732.db2.gz DVAMMVKOCADBBG-VWYCJHECSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc(/C=C/C[NH+](C)C)cc1 80360895 573890744 /nfs/dbraw/zinc/89/07/44/573890744.db2.gz QZCPVEUGHAHFRT-SNAWJCMRSA-N 0 0 175.275 2.570 10 0 AFAERN Cc1cccc(NC2CC2)c1C 76593991 573890746 /nfs/dbraw/zinc/89/07/46/573890746.db2.gz IULRIJIOALDLOK-UHFFFAOYSA-N 0 0 161.248 2.878 10 0 AFAERN CC[C@@H](O)[C@H](C)Oc1ccc(C)cc1 44216691 573890809 /nfs/dbraw/zinc/89/08/09/573890809.db2.gz BUPXOFPGBLBZAL-CMPLNLGQSA-N 0 0 194.274 2.533 10 0 AFAERN CC(C)(C)[C@H](O)[C@@H]1C=CCCC1 238181026 573890813 /nfs/dbraw/zinc/89/08/13/573890813.db2.gz RQXITFKCJJUNHR-NXEZZACHSA-N 0 0 168.280 2.750 10 0 AFAERN CCC[C@@H](O)[C@@H](CC)OC(C)(C)C 44226617 573890814 /nfs/dbraw/zinc/89/08/14/573890814.db2.gz VWQOKZQBMVQLDF-NXEZZACHSA-N 0 0 188.311 2.741 10 0 AFAERN CC[C@H](O)[C@H](C)Oc1ccc(C)cc1 44216687 573890830 /nfs/dbraw/zinc/89/08/30/573890830.db2.gz BUPXOFPGBLBZAL-JQWIXIFHSA-N 0 0 194.274 2.533 10 0 AFAERN c1csc(SCNC2CC2)c1 259223080 573890842 /nfs/dbraw/zinc/89/08/42/573890842.db2.gz MKTRMYITSIZQCT-UHFFFAOYSA-N 0 0 185.317 2.550 10 0 AFAERN CCC[C@H](O)[C@H](CC)OC(C)(C)C 44226622 573890874 /nfs/dbraw/zinc/89/08/74/573890874.db2.gz VWQOKZQBMVQLDF-UWVGGRQHSA-N 0 0 188.311 2.741 10 0 AFAERN Cc1cccc(N)c1OC/C=C/Cl 235762546 573890937 /nfs/dbraw/zinc/89/09/37/573890937.db2.gz SSMPSHFDPAKOFH-ZZXKWVIFSA-N 0 0 197.665 2.709 10 0 AFAERN O=C1CC[C@@H](Cc2cccc(F)c2)C1 80383827 573890970 /nfs/dbraw/zinc/89/09/70/573890970.db2.gz MKDPABALRRELQJ-JTQLQIEISA-N 0 0 192.233 2.737 10 0 AFAERN O=C1CC[C@H](Cc2ccc(F)cc2)C1 80383869 573891050 /nfs/dbraw/zinc/89/10/50/573891050.db2.gz IGLUIMOAJQUYBD-SNVBAGLBSA-N 0 0 192.233 2.737 10 0 AFAERN CCCCO[C@@H](CC)[C@@H](O)CCC 44235049 573891108 /nfs/dbraw/zinc/89/11/08/573891108.db2.gz JRLYAWWCFVXLCG-QWRGUYRKSA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)(C)[C@H](O)/C=C/[Si](C)(C)C 238181205 573891234 /nfs/dbraw/zinc/89/12/34/573891234.db2.gz IAGTVQHCXQTILN-FCZSHJHJSA-N 0 0 186.371 2.827 10 0 AFAERN C[C@@H]1SC[C@@H](O)c2ccccc21 125381985 573891241 /nfs/dbraw/zinc/89/12/41/573891241.db2.gz NWQXYJWGGKIOGX-OIBJUYFYSA-N 0 0 180.272 2.528 10 0 AFAERN Cc1ccc(-c2oncc2C)cc1 102159678 573891270 /nfs/dbraw/zinc/89/12/70/573891270.db2.gz CPZDQMIKNJHUOQ-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CCCCCCO[C@H](C)[C@H](O)CC 44229418 573891305 /nfs/dbraw/zinc/89/13/05/573891305.db2.gz VSGXZWGBJPGHMV-GHMZBOCLSA-N 0 0 188.311 2.743 10 0 AFAERN CCC(=O)[C@@H](C)Cc1ccccc1F 41206662 573891337 /nfs/dbraw/zinc/89/13/37/573891337.db2.gz DZXJGQNWSZEBAM-VIFPVBQESA-N 0 0 194.249 2.983 10 0 AFAERN C[C@H]1SC[C@H](O)c2ccccc21 125382203 573891374 /nfs/dbraw/zinc/89/13/74/573891374.db2.gz NWQXYJWGGKIOGX-XCBNKYQSSA-N 0 0 180.272 2.528 10 0 AFAERN COc1ccnc2c(F)ccc(F)c12 102201635 573891382 /nfs/dbraw/zinc/89/13/82/573891382.db2.gz VLBMXXUCWOVPHO-UHFFFAOYSA-N 0 0 195.168 2.522 10 0 AFAERN CCCC[C@](C)(O)C1(C)CC1 87365406 573891441 /nfs/dbraw/zinc/89/14/41/573891441.db2.gz VUFXDAXFWNKBNV-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@H](C)[C@@](C)(O)C1(C)CC1 87365561 573898654 /nfs/dbraw/zinc/89/86/54/573898654.db2.gz CIZYHAWBPSGPMW-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CC1([C@](C)(O)c2ccccc2F)CC1 87365891 573898774 /nfs/dbraw/zinc/89/87/74/573898774.db2.gz BWSFPKSESFNJEC-GFCCVEGCSA-N 0 0 194.249 2.833 10 0 AFAERN O=Cc1occc1-c1ccc(F)cc1 102300706 573898787 /nfs/dbraw/zinc/89/87/87/573898787.db2.gz BDTOLKAJAXBBKG-UHFFFAOYSA-N 0 0 190.173 2.898 10 0 AFAERN CC(C)=C[C@@](C)(O)C1(C)CC1 87365756 573898790 /nfs/dbraw/zinc/89/87/90/573898790.db2.gz BOCKWXDTOPYRJN-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)OC(=O)NC1=CCCCC1 238175383 573898812 /nfs/dbraw/zinc/89/88/12/573898812.db2.gz XPLHOMCBHLQFJY-UHFFFAOYSA-N 0 0 183.251 2.579 10 0 AFAERN CC1([C@](C)(O)c2cccc(F)c2)CC1 87365967 573898832 /nfs/dbraw/zinc/89/88/32/573898832.db2.gz CDZVOQCKAVMTBC-GFCCVEGCSA-N 0 0 194.249 2.833 10 0 AFAERN C=Cc1ccnc(CCC)c1 80406436 573898838 /nfs/dbraw/zinc/89/88/38/573898838.db2.gz LESYTDSQOMRKIN-UHFFFAOYSA-N 0 0 147.221 2.677 10 0 AFAERN O[C@H]1CC[C@H](Cc2cccc(F)c2)C1 80475715 573898882 /nfs/dbraw/zinc/89/88/82/573898882.db2.gz NKYNXAHZUYDFDO-PWSUYJOCSA-N 0 0 194.249 2.529 10 0 AFAERN CC(C)(C)[C@](C)(O)C1(C)CC1 87365770 573898955 /nfs/dbraw/zinc/89/89/55/573898955.db2.gz XUALQJGVJAURHE-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@@](C)(O)C1(C)CC1 87365864 573899148 /nfs/dbraw/zinc/89/91/48/573899148.db2.gz KIVSGMFUYLAKDS-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@H]1CCC[C@H](O)C1 80476317 573899171 /nfs/dbraw/zinc/89/91/71/573899171.db2.gz LYHIQWAZIHHKEN-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@@H]1CC[C@@H](Cc2cccc(F)c2)C1 80475719 573899331 /nfs/dbraw/zinc/89/93/31/573899331.db2.gz NKYNXAHZUYDFDO-CMPLNLGQSA-N 0 0 194.249 2.529 10 0 AFAERN CC(C)C[C@H]1CCC[C@@H](O)C1 80476327 573899343 /nfs/dbraw/zinc/89/93/43/573899343.db2.gz LYHIQWAZIHHKEN-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)Nc1cc(C2(C)CC2)[nH]n1 87367526 573899370 /nfs/dbraw/zinc/89/93/70/573899370.db2.gz YNFPXTXNNWQPPS-UHFFFAOYSA-N 0 0 193.294 2.672 10 0 AFAERN CC[C@H](C)N(C)c1ccc(C(C)=O)o1 131536236 573899421 /nfs/dbraw/zinc/89/94/21/573899421.db2.gz YOKUPXMAEQULAN-QMMMGPOBSA-N 0 0 195.262 2.717 10 0 AFAERN CC(C)(C)[C@@](C)(O)C1(C)CC1 87365769 573901055 /nfs/dbraw/zinc/90/10/55/573901055.db2.gz XUALQJGVJAURHE-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN C/C=C(\C)[C@H](O)C(C)(C)CC 238189651 573901117 /nfs/dbraw/zinc/90/11/17/573901117.db2.gz GQIHVDZQZUJUNA-ORZBULNSSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1ccc(C=O)cc1-n1cccc1 257902723 573901295 /nfs/dbraw/zinc/90/12/95/573901295.db2.gz PDPRVEJDZHSNJL-UHFFFAOYSA-N 0 0 185.226 2.598 10 0 AFAERN Cc1cc(OC/C=C/Cl)ccc1N 235769338 573901330 /nfs/dbraw/zinc/90/13/30/573901330.db2.gz SERHGGFERIMUBO-GORDUTHDSA-N 0 0 197.665 2.709 10 0 AFAERN CC1([C@@](C)(O)c2cccc(F)c2)CC1 87365968 573901376 /nfs/dbraw/zinc/90/13/76/573901376.db2.gz CDZVOQCKAVMTBC-LBPRGKRZSA-N 0 0 194.249 2.833 10 0 AFAERN Nc1ccc([C@H]2CCCCO2)cc1 257902698 573901397 /nfs/dbraw/zinc/90/13/97/573901397.db2.gz PCMXHFLMBJKAMR-LLVKDONJSA-N 0 0 177.247 2.510 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)C1(C)CC1 87365559 573901421 /nfs/dbraw/zinc/90/14/21/573901421.db2.gz CIZYHAWBPSGPMW-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC(=O)[C@@H]1CC[C@H]2CCCC=C21 238175484 573901422 /nfs/dbraw/zinc/90/14/22/573901422.db2.gz NGVSOCRWSDFZAN-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)O/C(Cl)=C\Cl 80523980 573901453 /nfs/dbraw/zinc/90/14/53/573901453.db2.gz SQBUVQYVQFKOGZ-HYXAFXHYSA-N 0 0 155.024 2.688 10 0 AFAERN CC(=O)[C@@H]1CC[C@H]2CC=CC[C@@H]21 238175439 573901496 /nfs/dbraw/zinc/90/14/96/573901496.db2.gz XBVAQUJKERMSBR-VWYCJHECSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)[C@]1(C)C=C[C@@H]2CC=C[C@@H]2C1 238190622 573901620 /nfs/dbraw/zinc/90/16/20/573901620.db2.gz TWZIPYZZBSXYHS-QJPTWQEYSA-N 0 0 176.259 2.734 10 0 AFAERN CC(C)[C@@H]1Nc2ccccc2CO1 238190149 573901625 /nfs/dbraw/zinc/90/16/25/573901625.db2.gz BHDWHPNBOAKBJN-LLVKDONJSA-N 0 0 177.247 2.611 10 0 AFAERN CC[C@@]1(C(=O)OC)CC12CCCCC2 259578754 573901653 /nfs/dbraw/zinc/90/16/53/573901653.db2.gz KBUUPVRRUJFMRC-LBPRGKRZSA-N 0 0 196.290 2.910 10 0 AFAERN CC[C@H](C)OCc1cccc(N)c1 44342180 573901716 /nfs/dbraw/zinc/90/17/16/573901716.db2.gz IQAXMFZVBCSPES-VIFPVBQESA-N 0 0 179.263 2.584 10 0 AFAERN CC(=O)[C@@H](C)Cc1nc(C)c(C)s1 87392047 573901733 /nfs/dbraw/zinc/90/17/33/573901733.db2.gz PVTCABPFEAVERE-LURJTMIESA-N 0 0 197.303 2.528 10 0 AFAERN O[C@@H]1C[C@H]2c3cccc4cccc(c34)[C@H]12 308779837 573902684 /nfs/dbraw/zinc/90/26/84/573902684.db2.gz PDSHEYVCJYOTKD-SCRDCRAPSA-N 0 0 196.249 2.785 10 0 AFAERN Cc1c(C(C)C)[nH]c2c1C(=O)CCC2 238192757 573902706 /nfs/dbraw/zinc/90/27/06/573902706.db2.gz OMQXDBNZZLNELI-UHFFFAOYSA-N 0 0 191.274 2.966 10 0 AFAERN Cl/C=C1\OCOC12CCCCC2 238539445 573902738 /nfs/dbraw/zinc/90/27/38/573902738.db2.gz JBOMCTRDBPDFTF-VURMDHGXSA-N 0 0 188.654 2.774 10 0 AFAERN CC(C)[C@H]1CCc2ccc(N)cc2N1 238192325 573902819 /nfs/dbraw/zinc/90/28/19/573902819.db2.gz OCKQYBPOZUMYQE-LLVKDONJSA-N 0 0 190.290 2.652 10 0 AFAERN CCC(C)(C)[C@@H]1CC[C@@H](O)C1 238192087 573902936 /nfs/dbraw/zinc/90/29/36/573902936.db2.gz MYLBXJSJCIUZTM-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN CC1(C)C=CC(CCCO)=CC1 238191025 573903015 /nfs/dbraw/zinc/90/30/15/573903015.db2.gz JNYZZBWHHWSYKP-UHFFFAOYSA-N 0 0 166.264 2.671 10 0 AFAERN CC(C)c1noc2ccnc(Cl)c12 238191469 573903046 /nfs/dbraw/zinc/90/30/46/573903046.db2.gz YLLXPLLSYLNKAQ-UHFFFAOYSA-N 0 0 196.637 3.000 10 0 AFAERN CC1(C)CC=C[C@@](C)(CCO)C1 238192148 573903106 /nfs/dbraw/zinc/90/31/06/573903106.db2.gz QGMFYMKUZXNCPU-NSHDSACASA-N 0 0 168.280 2.751 10 0 AFAERN CCCCN(C)c1ncc(CC)s1 308461704 573903157 /nfs/dbraw/zinc/90/31/57/573903157.db2.gz HULGBIUAQPVPMX-UHFFFAOYSA-N 0 0 198.335 2.942 10 0 AFAERN CNc1ncc(-c2sccc2C)o1 258998805 573903268 /nfs/dbraw/zinc/90/32/68/573903268.db2.gz BFQLCKCVIOEPFP-UHFFFAOYSA-N 0 0 194.259 2.753 10 0 AFAERN F[C@@H]1CCc2nc(Cl)sc2C1 257904044 573903395 /nfs/dbraw/zinc/90/33/95/573903395.db2.gz ZCQVEJUCIWQOIG-SCSAIBSYSA-N 0 0 191.658 2.623 10 0 AFAERN CCCc1ccccc1CC[C@@H](C)O 223648665 573903410 /nfs/dbraw/zinc/90/34/10/573903410.db2.gz FMSMYUNTUAIVLG-LLVKDONJSA-N 0 0 192.302 2.953 10 0 AFAERN CC(=O)[C@@H](c1ccco1)C(C)C 238193891 573906962 /nfs/dbraw/zinc/90/69/62/573906962.db2.gz DTIANQQPMUVMMI-JTQLQIEISA-N 0 0 166.220 2.608 10 0 AFAERN CCC(C)(C)[C@H]1C[C@@H](C)C1=O 238194896 573906985 /nfs/dbraw/zinc/90/69/85/573906985.db2.gz FJXCQLROJFIVIK-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CC1(C)C(=O)[C@@H]2C[C@H]3CCC[C@@]31C2 238195121 573906989 /nfs/dbraw/zinc/90/69/89/573906989.db2.gz QNZQIACYGZHNSL-KBVBSXBZSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)(C)Cc1ncc(Cl)o1 258521228 573906997 /nfs/dbraw/zinc/90/69/97/573906997.db2.gz LQRATVFKJCUYFB-UHFFFAOYSA-N 0 0 173.643 2.917 10 0 AFAERN CC[C@H]1CC(=O)C[C@@H](CC)S1 222785247 573907076 /nfs/dbraw/zinc/90/70/76/573907076.db2.gz FQHXTQIYKLHIID-DTORHVGOSA-N 0 0 172.293 2.640 10 0 AFAERN CCC(C)(C)c1c[nH]c(SC)n1 238195635 573907153 /nfs/dbraw/zinc/90/71/53/573907153.db2.gz QNADSJWWQHLZIA-UHFFFAOYSA-N 0 0 184.308 2.819 10 0 AFAERN CC(=O)CNc1cc(C)c(C)cc1C 259000367 573907203 /nfs/dbraw/zinc/90/72/03/573907203.db2.gz YTQKPTNJBSAYLO-UHFFFAOYSA-N 0 0 191.274 2.613 10 0 AFAERN Cc1ccccc1-c1nc(N)oc1C 257896182 573907308 /nfs/dbraw/zinc/90/73/08/573907308.db2.gz YAOAEAWTYWGOJF-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCCC/C=C1/[C@H](C)CC[C@H]1O 238194558 573907357 /nfs/dbraw/zinc/90/73/57/573907357.db2.gz ZKXSBJGXJPCEKS-ALTINICFSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)[C@@H](O)C[C@@H]1CC=CCC1 402166122 573907392 /nfs/dbraw/zinc/90/73/92/573907392.db2.gz UTNMHCAOZNFPMO-MNOVXSKESA-N 0 0 168.280 2.750 10 0 AFAERN CC(=O)[C@H](F)C1(C)CCCCC1 238195276 573907444 /nfs/dbraw/zinc/90/74/44/573907444.db2.gz OYDYSOJTRUNHNC-VIFPVBQESA-N 0 0 172.243 2.884 10 0 AFAERN CCC1(CC)OCc2cc(O)ccc21 238195614 573907470 /nfs/dbraw/zinc/90/74/70/573907470.db2.gz MEFBNRIAFVULSN-UHFFFAOYSA-N 0 0 192.258 2.938 10 0 AFAERN CC[C@@H](C)n1ccc(C(C)=O)c1 45796528 573907501 /nfs/dbraw/zinc/90/75/01/573907501.db2.gz CMXFNQUJJUTGQF-MRVPVSSYSA-N 0 0 165.236 2.662 10 0 AFAERN OC1(CC[C@H]2CCCS2)CCC1 257896218 573907503 /nfs/dbraw/zinc/90/75/03/573907503.db2.gz DABAGWWWNUOMEH-SECBINFHSA-N 0 0 186.320 2.577 10 0 AFAERN CC1=CC(=O)[C@@H](c2ccccc2)N1 238193714 573907556 /nfs/dbraw/zinc/90/75/56/573907556.db2.gz ZLKNQGDMNPJVSB-LLVKDONJSA-N 0 0 173.215 2.644 10 0 AFAERN C/C(=C/CO)C/C=C(/C)C(C)C 212405102 573907566 /nfs/dbraw/zinc/90/75/66/573907566.db2.gz SWSPQPQYPUHUTF-LXQMTTSMSA-N 0 0 168.280 2.917 10 0 AFAERN CCC(C)(C)[C@H]1CC[C@H](O)C1 238194812 573907591 /nfs/dbraw/zinc/90/75/91/573907591.db2.gz MYLBXJSJCIUZTM-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN CCc1cc2cc(C)c(N)cc2n1C 76633184 573907641 /nfs/dbraw/zinc/90/76/41/573907641.db2.gz CBRXTYUCRKCBBB-UHFFFAOYSA-N 0 0 188.274 2.631 10 0 AFAERN CCc1nc(Cn2cccc2)cs1 84728284 573913590 /nfs/dbraw/zinc/91/35/90/573913590.db2.gz CAWRIRGLZFYPPU-UHFFFAOYSA-N 0 0 192.287 2.555 10 0 AFAERN OC1(C[C@@H]2CCCCS2)CCC1 257897590 573913602 /nfs/dbraw/zinc/91/36/02/573913602.db2.gz DEKHSBSKASQRPI-VIFPVBQESA-N 0 0 186.320 2.577 10 0 AFAERN Cc1cccc(C)c1/C=C\[C@@H](C)O 388450871 573913733 /nfs/dbraw/zinc/91/37/33/573913733.db2.gz PLFJWHCSRVICQA-SKVAFPRGSA-N 0 0 176.259 2.697 10 0 AFAERN C/C(=C\[C@@H](C)O)c1ccccc1C 388456853 573913826 /nfs/dbraw/zinc/91/38/26/573913826.db2.gz YRTICNWIYQWNGK-RJCSOLBVSA-N 0 0 176.259 2.779 10 0 AFAERN CC(=O)[C@@]1(C)CC2CCC1CC2 238182629 573913843 /nfs/dbraw/zinc/91/38/43/573913843.db2.gz JSIPBEBICXBIHW-VQXHTEKXSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc2c(cc1C)N(C)CCCN2 76634719 573913908 /nfs/dbraw/zinc/91/39/08/573913908.db2.gz FIGULSAIKBLYAW-UHFFFAOYSA-N 0 0 190.290 2.555 10 0 AFAERN CC(C)Cc1nc(C=O)oc1C(C)C 257898216 573913943 /nfs/dbraw/zinc/91/39/43/573913943.db2.gz YJHGOANHNJUPII-UHFFFAOYSA-N 0 0 195.262 2.809 10 0 AFAERN CCc1ccc2[nH]c(Cl)c(N)c2c1 76636269 573913956 /nfs/dbraw/zinc/91/39/56/573913956.db2.gz PWSLBYGBOOKJKN-UHFFFAOYSA-N 0 0 194.665 2.966 10 0 AFAERN Cc1ccc2[nH]c(-c3ccon3)nc2c1 44586828 573914012 /nfs/dbraw/zinc/91/40/12/573914012.db2.gz MBAGDRWLVFMUQJ-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN Cc1nc2ccc(O)cc2c(C)c1C 257898068 573914116 /nfs/dbraw/zinc/91/41/16/573914116.db2.gz OLMUWNWZPBFEOL-UHFFFAOYSA-N 0 0 187.242 2.866 10 0 AFAERN CC(=NO)c1c(F)cccc1Cl 388450670 573914203 /nfs/dbraw/zinc/91/42/03/573914203.db2.gz YKJOTRAZTYWEMP-UHFFFAOYSA-N 0 0 187.601 2.677 10 0 AFAERN CC[C@@H](OC)C(=O)c1ccc(C)s1 131643647 573914925 /nfs/dbraw/zinc/91/49/25/573914925.db2.gz UBYZDURUNZBQKH-MRVPVSSYSA-N 0 0 198.287 2.664 10 0 AFAERN CC1(C)OC[C@](C)(c2ccsc2)O1 238185414 573914930 /nfs/dbraw/zinc/91/49/30/573914930.db2.gz ACCWYQVUIFFNEL-SNVBAGLBSA-N 0 0 198.287 2.746 10 0 AFAERN CCOCc1cc2cc(F)ccc2[nH]1 257897774 573914277 /nfs/dbraw/zinc/91/42/77/573914277.db2.gz ARHPVTJKKYRAJG-UHFFFAOYSA-N 0 0 193.221 2.844 10 0 AFAERN c1nc2ccc(NC3CC3)cc2s1 76634661 573914323 /nfs/dbraw/zinc/91/43/23/573914323.db2.gz NGSHXXZSWNRBML-UHFFFAOYSA-N 0 0 190.271 2.871 10 0 AFAERN Cc1cccc2c1OC(C)(C)CN2 84767380 573914335 /nfs/dbraw/zinc/91/43/35/573914335.db2.gz QMVQLVRGHWSMDM-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CCc1cccc2c(N)c(Cl)[nH]c12 76636271 573914365 /nfs/dbraw/zinc/91/43/65/573914365.db2.gz WPJRNDAYOLVVAH-UHFFFAOYSA-N 0 0 194.665 2.966 10 0 AFAERN Cc1cccc2c1NCC(C)(C)O2 84767394 573914476 /nfs/dbraw/zinc/91/44/76/573914476.db2.gz UOGQPPDFGDUGCK-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CC1=C[C@H]2CC(=O)[C@H]3CCC[C@@]13C2 238184695 573914974 /nfs/dbraw/zinc/91/49/74/573914974.db2.gz VXDXAHWYOCIPCN-HOSYDEDBSA-N 0 0 176.259 2.712 10 0 AFAERN Cc1cccc(Oc2nc(C)c[nH]2)c1 257897258 573914511 /nfs/dbraw/zinc/91/45/11/573914511.db2.gz NKFMVOFDANRFJA-UHFFFAOYSA-N 0 0 188.230 2.819 10 0 AFAERN Cc1coc(NC2CCC(C)CC2)n1 76636112 573914517 /nfs/dbraw/zinc/91/45/17/573914517.db2.gz BLZYGMCYGZIFSW-UHFFFAOYSA-N 0 0 194.278 2.974 10 0 AFAERN C[C@@H]1C[C@H]1c1nc(-c2ccccc2)n[nH]1 42013432 573914521 /nfs/dbraw/zinc/91/45/21/573914521.db2.gz WUKSISSYJZDICV-PSASIEDQSA-N 0 0 199.257 2.595 10 0 AFAERN CCc1ccc([C@H](C)CO)cc1CC 258181760 573914531 /nfs/dbraw/zinc/91/45/31/573914531.db2.gz WPLQWKQIVSVWRE-SNVBAGLBSA-N 0 0 192.302 2.907 10 0 AFAERN CSc1ccc(SC)c(O)c1 80856270 573914536 /nfs/dbraw/zinc/91/45/36/573914536.db2.gz CYWLSAFCPSARGM-UHFFFAOYSA-N 0 0 186.301 2.836 10 0 AFAERN CC(C)Cc1ccc2c(c1)CCN2 84736915 573914572 /nfs/dbraw/zinc/91/45/72/573914572.db2.gz PTYJDKFZKRIZBB-UHFFFAOYSA-N 0 0 175.275 2.853 10 0 AFAERN CSc1c[nH]c2c(Cl)ccnc12 80908265 573914779 /nfs/dbraw/zinc/91/47/79/573914779.db2.gz KYAHVDNFZJPURO-UHFFFAOYSA-N 0 0 198.678 2.938 10 0 AFAERN Cc1ccc([C@H](O)CC(C)C)o1 84739369 573914795 /nfs/dbraw/zinc/91/47/95/573914795.db2.gz AMWWRJZEXKEMIN-SECBINFHSA-N 0 0 168.236 2.668 10 0 AFAERN CCc1c(C)[nH]c2cccc(O)c12 80865268 573914808 /nfs/dbraw/zinc/91/48/08/573914808.db2.gz IYFKPKFSSVIYCB-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN CC(C)[C@@H]1C(=O)C(C)(C)[C@H]1C 238185590 573914897 /nfs/dbraw/zinc/91/48/97/573914897.db2.gz RFPOJMWVGBFTHI-YUMQZZPRSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H]1CNc2c(C)cccc2O1 84767399 573915007 /nfs/dbraw/zinc/91/50/07/573915007.db2.gz AKCODMQSEGMFHC-VIFPVBQESA-N 0 0 177.247 2.578 10 0 AFAERN Fc1ccc(-n2ccnc2Cl)cc1 258180604 573915011 /nfs/dbraw/zinc/91/50/11/573915011.db2.gz VBLDTURUUNKRIL-UHFFFAOYSA-N 0 0 196.612 2.665 10 0 AFAERN CC1C[C@H](C)C([C@H](C)O)[C@@H](C)C1 238184392 573915206 /nfs/dbraw/zinc/91/52/06/573915206.db2.gz QQQNAFHSOVBGIV-TUFWFXDWSA-N 0 0 170.296 2.686 10 0 AFAERN CC[C@@H]1CNc2c(C)cccc2O1 84767396 573915242 /nfs/dbraw/zinc/91/52/42/573915242.db2.gz AKCODMQSEGMFHC-SECBINFHSA-N 0 0 177.247 2.578 10 0 AFAERN C=C/C=C/C[C@H](O)Cc1ccccc1 238720159 573915290 /nfs/dbraw/zinc/91/52/90/573915290.db2.gz AQXOLUDFJKBGNW-LQPUYASZSA-N 0 0 188.270 2.722 10 0 AFAERN c1scc2c1NC[C@H]1CCCCN21 76636200 573915371 /nfs/dbraw/zinc/91/53/71/573915371.db2.gz VMKZBBKYZKJRCB-MRVPVSSYSA-N 0 0 194.303 2.533 10 0 AFAERN Cc1ccc(SC2(CO)CC2)cc1 259239765 573915454 /nfs/dbraw/zinc/91/54/54/573915454.db2.gz NZSQMJDLEJXHMW-UHFFFAOYSA-N 0 0 194.299 2.612 10 0 AFAERN S=c1nccc(C2CCCCC2)[nH]1 259007593 573915578 /nfs/dbraw/zinc/91/55/78/573915578.db2.gz DUJCMFHUQAYNDE-UHFFFAOYSA-N 0 0 194.303 2.813 10 0 AFAERN CCCC1(CCC)CC(=O)C1 87439765 573915584 /nfs/dbraw/zinc/91/55/84/573915584.db2.gz AVASDRUNNDBFDB-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CC(=O)[C@@]1(F)CCC(C)=C(C)C1 238184905 573915629 /nfs/dbraw/zinc/91/56/29/573915629.db2.gz KPQCYKBZDXGULN-SNVBAGLBSA-N 0 0 170.227 2.804 10 0 AFAERN Cc1cc(C)c(CNO)c(C)c1Cl 215006895 573927164 /nfs/dbraw/zinc/92/71/64/573927164.db2.gz OOQUVBKVWREXGB-UHFFFAOYSA-N 0 0 199.681 2.744 10 0 AFAERN Cc1cnnc(NCCC(C)(C)C)c1 235808604 573927175 /nfs/dbraw/zinc/92/71/75/573927175.db2.gz LYQBTGRYTMDHPR-UHFFFAOYSA-N 0 0 193.294 2.633 10 0 AFAERN CNc1ncc(C2CCCCC2)cn1 87474281 573926590 /nfs/dbraw/zinc/92/65/90/573926590.db2.gz GNDXJMAVVLASHF-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN CC(C)c1cc(Cl)cc(CNO)c1 215006678 573926633 /nfs/dbraw/zinc/92/66/33/573926633.db2.gz PKIREDJKFULBBX-UHFFFAOYSA-N 0 0 199.681 2.942 10 0 AFAERN CC(C)C(=O)CC(C)(C)Cl 238188496 573926675 /nfs/dbraw/zinc/92/66/75/573926675.db2.gz VJNBXYKYCJSABX-UHFFFAOYSA-N 0 0 162.660 2.619 10 0 AFAERN CC(=O)[C@]12CC=CC[C@@H]1CCC2 238187220 573926735 /nfs/dbraw/zinc/92/67/35/573926735.db2.gz BLRIOYWSYWZYEE-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)[C@H]1C=C[C@@H]2CC(=O)C[C@@H]2C1 238187202 573926788 /nfs/dbraw/zinc/92/67/88/573926788.db2.gz MCPMTHWCECWQLZ-AXFHLTTASA-N 0 0 178.275 2.814 10 0 AFAERN CC[C@H](OC)C(=O)[C@H]1CCC[C@H](C)C1 131683070 573926909 /nfs/dbraw/zinc/92/69/09/573926909.db2.gz QXQSQSZYBMPRAC-DCAQKATOSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ncc(-c2ccco2)c(Cl)n1 258458976 573927044 /nfs/dbraw/zinc/92/70/44/573927044.db2.gz GVHAQSDQCDQWQK-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CCCOC(=O)N1[C@H](C)CCC[C@H]1C 308465071 573927083 /nfs/dbraw/zinc/92/70/83/573927083.db2.gz VZCNAPXKHFTNDM-NXEZZACHSA-N 0 0 199.294 2.796 10 0 AFAERN C[C@@H]1CC(=O)Nc2cc(Cl)ccc21 257901560 573927111 /nfs/dbraw/zinc/92/71/11/573927111.db2.gz YVVMRGOIXJWIEE-ZCFIWIBFSA-N 0 0 195.649 2.786 10 0 AFAERN COCNc1ccc2c(c1)CCCC2 259017358 573934645 /nfs/dbraw/zinc/93/46/45/573934645.db2.gz GROBXQLQDMJVHC-UHFFFAOYSA-N 0 0 191.274 2.581 10 0 AFAERN CCO[C@@H](CC)C(=O)C[C@@H](C)CC 131747655 573933860 /nfs/dbraw/zinc/93/38/60/573933860.db2.gz RQAUUNOJECYVGU-ONGXEEELSA-N 0 0 186.295 2.807 10 0 AFAERN Cc1cc(Cl)cc(/C=C\CO)c1 395275862 573933924 /nfs/dbraw/zinc/93/39/24/573933924.db2.gz XHYRCLQYRODCPC-IHWYPQMZSA-N 0 0 182.650 2.654 10 0 AFAERN Cc1ccc2ncc(O)c(C)c2c1 257905160 573933933 /nfs/dbraw/zinc/93/39/33/573933933.db2.gz POZKTVLOORPJAZ-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN CC[C@@H]1Oc2cccc(C)c2N[C@@H]1C 87504509 573933966 /nfs/dbraw/zinc/93/39/66/573933966.db2.gz JRVOVZHRJRDSNC-ZJUUUORDSA-N 0 0 191.274 2.966 10 0 AFAERN CCC12CCC(CC1)C2 81162370 573934149 /nfs/dbraw/zinc/93/41/49/573934149.db2.gz NRDAHVBNELEBMG-UHFFFAOYSA-N 0 0 124.227 2.977 10 0 AFAERN CCC(C)(C)c1ccc(C=O)o1 238196051 573934257 /nfs/dbraw/zinc/93/42/57/573934257.db2.gz NKBNBVOGEYDZPE-UHFFFAOYSA-N 0 0 166.220 2.780 10 0 AFAERN CC(C)[C@@H](C)Cn1cccc1 81108906 573934295 /nfs/dbraw/zinc/93/42/95/573934295.db2.gz HVBYKLBPQCVQHJ-JTQLQIEISA-N 0 0 151.253 2.780 10 0 AFAERN C[C@@H](O)c1coc2ccc(F)cc12 257904819 573934370 /nfs/dbraw/zinc/93/43/70/573934370.db2.gz MUFURPIJSGDTRS-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN CCC1([C@@H](C)O)Cc2ccccc2C1 238197293 573934390 /nfs/dbraw/zinc/93/43/90/573934390.db2.gz QNMKWFFDDMCCMZ-SNVBAGLBSA-N 0 0 190.286 2.562 10 0 AFAERN CC1=C2C=CC=C2[C@](C)(CCCO)C1 238196417 573934412 /nfs/dbraw/zinc/93/44/12/573934412.db2.gz WHQVYHLJABKZKS-CYBMUJFWSA-N 0 0 190.286 2.982 10 0 AFAERN CC1=C(C)CC(C)(C)[C@@H](O)CC1 238195960 573934426 /nfs/dbraw/zinc/93/44/26/573934426.db2.gz DWUJVUCWXGBONN-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN CO[C@@H]1Cc2ccc(Cl)cc21 258460409 573934453 /nfs/dbraw/zinc/93/44/53/573934453.db2.gz HBGZBZSOUVKHSW-SECBINFHSA-N 0 0 168.623 2.584 10 0 AFAERN CCCCC[C@@H](CCCC)NN 127608470 573934542 /nfs/dbraw/zinc/93/45/42/573934542.db2.gz PLSJYJZQVZXMMQ-SNVBAGLBSA-N 0 0 172.316 2.589 10 0 AFAERN CC1(C)C=CC[C@H]2CC(=O)C[C@H]21 238197612 573938006 /nfs/dbraw/zinc/93/80/06/573938006.db2.gz QMSYRBBBECSILW-WCBMZHEXSA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)C=CC[C@@H]2CC(=O)C[C@H]21 238197551 573937321 /nfs/dbraw/zinc/93/73/21/573937321.db2.gz QMSYRBBBECSILW-PSASIEDQSA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)C=CC[C@H]2CC(=O)C[C@@H]21 238197592 573937358 /nfs/dbraw/zinc/93/73/58/573937358.db2.gz QMSYRBBBECSILW-WPRPVWTQSA-N 0 0 164.248 2.568 10 0 AFAERN CC/C(=C\CO)CC[C@@H]1O[C@@]1(C)CC 393654195 573937425 /nfs/dbraw/zinc/93/74/25/573937425.db2.gz DOEYZRAMTREOEU-IMNITIESSA-N 0 0 198.306 2.663 10 0 AFAERN CC1(C)C=CC[C@@H]2CC(=O)C[C@@H]21 238197529 573937431 /nfs/dbraw/zinc/93/74/31/573937431.db2.gz QMSYRBBBECSILW-SCZZXKLOSA-N 0 0 164.248 2.568 10 0 AFAERN CCC1([C@H](C)O)Cc2ccccc2C1 238197947 573937502 /nfs/dbraw/zinc/93/75/02/573937502.db2.gz QNMKWFFDDMCCMZ-JTQLQIEISA-N 0 0 190.286 2.562 10 0 AFAERN CSc1cc(F)c(C)c(F)c1 81196377 573937543 /nfs/dbraw/zinc/93/75/43/573937543.db2.gz MODZKURSPVUXIX-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN CC/C(=C\CO)CC[C@@H]1O[C@]1(C)CC 393654194 573937654 /nfs/dbraw/zinc/93/76/54/573937654.db2.gz DOEYZRAMTREOEU-ALQBXHKQSA-N 0 0 198.306 2.663 10 0 AFAERN CCC1([C@@H](O)c2ccccc2)CC1 238197823 573937674 /nfs/dbraw/zinc/93/76/74/573937674.db2.gz WMSPQEAKPMVLLP-NSHDSACASA-N 0 0 176.259 2.910 10 0 AFAERN CC1=C(C)C[C@@](C)(CO)CC1 238197895 573937685 /nfs/dbraw/zinc/93/76/85/573937685.db2.gz XUJQKJSGUUYADN-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN CCCC1(CCC)CNC1=S 238197595 573937710 /nfs/dbraw/zinc/93/77/10/573937710.db2.gz YRZUXRQZWGJRRK-UHFFFAOYSA-N 0 0 171.309 2.504 10 0 AFAERN C[C@]1(O)CCCc2c(Cl)cccc21 258184593 573937785 /nfs/dbraw/zinc/93/77/85/573937785.db2.gz VHVWFZVIBKEYQQ-NSHDSACASA-N 0 0 196.677 2.884 10 0 AFAERN CC(C)C[C@H](O)CCc1ccco1 87522952 573937843 /nfs/dbraw/zinc/93/78/43/573937843.db2.gz LYFMISHSVMBUFJ-SNVBAGLBSA-N 0 0 182.263 2.619 10 0 AFAERN Cc1ccc(SC(C)(C)CO)cc1 259021636 573937895 /nfs/dbraw/zinc/93/78/95/573937895.db2.gz IURAZUWTVIVRSP-UHFFFAOYSA-N 0 0 196.315 2.858 10 0 AFAERN CC1(C)C=CCc2ccc(O)cc21 238197668 573937900 /nfs/dbraw/zinc/93/79/00/573937900.db2.gz HZWQYNZDVBCTOT-UHFFFAOYSA-N 0 0 174.243 2.782 10 0 AFAERN CCc1ccc2[nH]c(=O)c(C)cc2c1 259219920 573937910 /nfs/dbraw/zinc/93/79/10/573937910.db2.gz OIDHDZCOEJBXCQ-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN C[C@H]1CCC(=O)c2cccc(F)c2N1 257906365 573937918 /nfs/dbraw/zinc/93/79/18/573937918.db2.gz ZOVIWLPEIBQDEG-ZETCQYMHSA-N 0 0 193.221 2.603 10 0 AFAERN CC(C)(C)c1ncc2n1CCCC2 258184937 573937933 /nfs/dbraw/zinc/93/79/33/573937933.db2.gz JEUFKVAYCOXUCK-UHFFFAOYSA-N 0 0 178.279 2.517 10 0 AFAERN CC/C(=C/CO)CC[C@@H]1O[C@]1(C)CC 393654196 573937935 /nfs/dbraw/zinc/93/79/35/573937935.db2.gz DOEYZRAMTREOEU-NVSPSJGQSA-N 0 0 198.306 2.663 10 0 AFAERN CC1(C)C=C[C@@H]2C(C)(C)[C@]2(C)C1=O 238197832 573937964 /nfs/dbraw/zinc/93/79/64/573937964.db2.gz XUIKIIFDGAZZAV-PELKAZGASA-N 0 0 178.275 2.814 10 0 AFAERN CCC(=O)[C@H](C)[C@H]1CCCC[C@H]1OC 308467619 573937972 /nfs/dbraw/zinc/93/79/72/573937972.db2.gz AADSBYJGOMUFAA-CKYFFXLPSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)[C@@]1(C)CC[C@H](C)C1=O 238201571 573940499 /nfs/dbraw/zinc/94/04/99/573940499.db2.gz IPOLFBRFHCNCJS-WCBMZHEXSA-N 0 0 154.253 2.648 10 0 AFAERN CC1(c2nc(-c3ccccc3)n[nH]2)CC1 308782736 573940586 /nfs/dbraw/zinc/94/05/86/573940586.db2.gz DGKCHYMGWKOSPN-UHFFFAOYSA-N 0 0 199.257 2.523 10 0 AFAERN CSc1cc(C)ccc1C[C@@H](C)O 258184205 573940608 /nfs/dbraw/zinc/94/06/08/573940608.db2.gz WSVORNACZPKTNS-SECBINFHSA-N 0 0 196.315 2.640 10 0 AFAERN CC1(C)CCCCCC[C@H]1O 238201315 573940613 /nfs/dbraw/zinc/94/06/13/573940613.db2.gz YGXPZGPIRRGRDK-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN CN[C@@H](C)C(F)(F)c1ccc(C)cc1 257906617 573940651 /nfs/dbraw/zinc/94/06/51/573940651.db2.gz WMDYNCZFPRSXTM-VIFPVBQESA-N 0 0 199.244 2.695 10 0 AFAERN CC1(C)CC(=O)[C@@H]2CCCC[C@@H]21 238200670 573940654 /nfs/dbraw/zinc/94/06/54/573940654.db2.gz RGMYBPVYXPXYFM-BDAKNGLRSA-N 0 0 166.264 2.792 10 0 AFAERN COCc1csc2c(O)cccc12 257906399 573940698 /nfs/dbraw/zinc/94/06/98/573940698.db2.gz OZIFKTNRCLIBBW-UHFFFAOYSA-N 0 0 194.255 2.753 10 0 AFAERN CC1(C)CC(=O)[C@@H]2CCCC[C@H]21 238200700 573940701 /nfs/dbraw/zinc/94/07/01/573940701.db2.gz RGMYBPVYXPXYFM-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CCC(=O)c2cccc(F)c2N1 257906361 573940723 /nfs/dbraw/zinc/94/07/23/573940723.db2.gz ZOVIWLPEIBQDEG-SSDOTTSWSA-N 0 0 193.221 2.603 10 0 AFAERN CC/C(NC(C)=O)=C1\C=CCCC1 238214512 573940739 /nfs/dbraw/zinc/94/07/39/573940739.db2.gz ZSPWMGDZCQKOEY-KHPPLWFESA-N 0 0 179.263 2.527 10 0 AFAERN Clc1ccc(OCC2CCC2)cn1 87543143 573940759 /nfs/dbraw/zinc/94/07/59/573940759.db2.gz HWRSKZWHIJXPEJ-UHFFFAOYSA-N 0 0 197.665 2.914 10 0 AFAERN CCc1cc(Cl)nc(C2(C)CC2)n1 87548820 573940919 /nfs/dbraw/zinc/94/09/19/573940919.db2.gz XFYBJYFFHZIXFT-UHFFFAOYSA-N 0 0 196.681 2.744 10 0 AFAERN CC(C)C[C@@H](O)c1ccc(Cl)nc1 87546066 573940964 /nfs/dbraw/zinc/94/09/64/573940964.db2.gz XIBCGVKUAFEXPB-SECBINFHSA-N 0 0 199.681 2.815 10 0 AFAERN CC[C@@H](C)[C@@H](O)C(C)(C)CC 81196899 573940980 /nfs/dbraw/zinc/94/09/80/573940980.db2.gz KSEFWSWZOHCKSX-RKDXNWHRSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)C(=O)[C@@H]1CCC=C[C@H]1C 238201076 573941006 /nfs/dbraw/zinc/94/10/06/573941006.db2.gz VYCDTQZROMMZAP-NXEZZACHSA-N 0 0 166.264 2.814 10 0 AFAERN Clc1ccc(OCC2CC2)cn1 87543293 573941015 /nfs/dbraw/zinc/94/10/15/573941015.db2.gz AVJXJMQPVAWNJB-UHFFFAOYSA-N 0 0 183.638 2.524 10 0 AFAERN C/C=C/COc1ccc(Cl)nc1 87543259 573941132 /nfs/dbraw/zinc/94/11/32/573941132.db2.gz MYJQBFLOBHSUNE-NSCUHMNNSA-N 0 0 183.638 2.690 10 0 AFAERN CCCC1=CCC[C@@H]1C(C)=O 238201579 573941200 /nfs/dbraw/zinc/94/12/00/573941200.db2.gz ZCKMGZXNJFQKRW-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CCC1=C2CCC[C@@H]2CC[C@H]1O 238200644 573941239 /nfs/dbraw/zinc/94/12/39/573941239.db2.gz DKVBLXCNKAJKTQ-LDYMZIIASA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ccc(Cl)nc1 87546163 573941280 /nfs/dbraw/zinc/94/12/80/573941280.db2.gz XMYSSFWICXNKEJ-GMSGAONNSA-N 0 0 199.681 2.815 10 0 AFAERN O[C@@H](CC1CC1)c1ccc(Cl)nc1 87546107 573941308 /nfs/dbraw/zinc/94/13/08/573941308.db2.gz BBMJYXWSCFWXNL-VIFPVBQESA-N 0 0 197.665 2.569 10 0 AFAERN CON(CC=C(C)C)C1CCCC1 308467514 573941328 /nfs/dbraw/zinc/94/13/28/573941328.db2.gz JMEWBNIUZPXFJI-UHFFFAOYSA-N 0 0 183.295 2.759 10 0 AFAERN C=Cc1cccc([C@@H](O)CC)c1 81220085 573941337 /nfs/dbraw/zinc/94/13/37/573941337.db2.gz HPQNIOKBHIKLNI-NSHDSACASA-N 0 0 162.232 2.773 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ccnc(Cl)c1 87545633 573941339 /nfs/dbraw/zinc/94/13/39/573941339.db2.gz NHKALDYACMZGBB-OIBJUYFYSA-N 0 0 199.681 2.815 10 0 AFAERN CC1(C)CC(=O)[C@H]2[C@@H]1[C@H]1CCC[C@H]12 238214980 573941414 /nfs/dbraw/zinc/94/14/14/573941414.db2.gz YDRUNKMWZYFMOX-IFFSRLJSSA-N 0 0 178.275 2.648 10 0 AFAERN CC1=C([Si](C)(C)C)[C@@H](O)CCC1 238214601 573941453 /nfs/dbraw/zinc/94/14/53/573941453.db2.gz ORFLJRYHQUGETN-VIFPVBQESA-N 0 0 184.355 2.725 10 0 AFAERN CCC[C@H](O)c1ccnc(Cl)c1 87545601 573941476 /nfs/dbraw/zinc/94/14/76/573941476.db2.gz HSWWRZSFUCHWLP-QMMMGPOBSA-N 0 0 185.654 2.569 10 0 AFAERN Cc1cccc(C)c1-c1cc(N)on1 235824814 573941508 /nfs/dbraw/zinc/94/15/08/573941508.db2.gz QOROFCLXGXHUII-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC1(C)CC(=O)[C@H]2CCCC[C@H]21 238201592 573941592 /nfs/dbraw/zinc/94/15/92/573941592.db2.gz RGMYBPVYXPXYFM-DTWKUNHWSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1coc2cccc(C3(O)CC3)c12 258184317 573941665 /nfs/dbraw/zinc/94/16/65/573941665.db2.gz WVIRZZWLSIOZQR-UHFFFAOYSA-N 0 0 188.226 2.723 10 0 AFAERN CCCC[C@@H](O)c1ccnc(Cl)c1 87545463 573941770 /nfs/dbraw/zinc/94/17/70/573941770.db2.gz LFRXUVDZZPPRBO-SECBINFHSA-N 0 0 199.681 2.959 10 0 AFAERN Fc1ncccc1OC1CCCCC1 87542345 573941780 /nfs/dbraw/zinc/94/17/80/573941780.db2.gz SCLBACAIFJWZKS-UHFFFAOYSA-N 0 0 195.237 2.932 10 0 AFAERN CCCC1=CCC(C)(C)[C@@H](O)C1 238201256 573941799 /nfs/dbraw/zinc/94/17/99/573941799.db2.gz VAHCTXSZCRLPGP-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)C(=O)c1ccc(Cl)nc1 87545960 573941804 /nfs/dbraw/zinc/94/18/04/573941804.db2.gz WJUZLSGVHZACKB-UHFFFAOYSA-N 0 0 197.665 2.964 10 0 AFAERN CC1([C@@H](O)c2ccccc2)CC1 87549762 573946107 /nfs/dbraw/zinc/94/61/07/573946107.db2.gz QHUCLWHDUDDFGR-JTQLQIEISA-N 0 0 162.232 2.520 10 0 AFAERN Cc1cc(C)c(C2(O)CCC2)c(F)c1 235829286 573946114 /nfs/dbraw/zinc/94/61/14/573946114.db2.gz ZDDNDZCFXKUBTL-UHFFFAOYSA-N 0 0 194.249 2.814 10 0 AFAERN CC1([C@@H](O)c2cccs2)CC1 87549633 573946118 /nfs/dbraw/zinc/94/61/18/573946118.db2.gz DGSBAKRJZCIEKL-QMMMGPOBSA-N 0 0 168.261 2.582 10 0 AFAERN OCC/C=C\Cc1ccccc1Cl 258187217 573946121 /nfs/dbraw/zinc/94/61/21/573946121.db2.gz MKEYNIJBTHAIRE-UPHRSURJSA-N 0 0 196.677 2.821 10 0 AFAERN CC(C)[C@H](CF)c1cccc(CO)c1 258186753 573946138 /nfs/dbraw/zinc/94/61/38/573946138.db2.gz VOCKQQCCPFDTDL-LBPRGKRZSA-N 0 0 196.265 2.888 10 0 AFAERN CC1(C(=O)Cc2ccc(F)cc2)CC1 87549241 573946144 /nfs/dbraw/zinc/94/61/44/573946144.db2.gz KWAGGXQFSNMVGK-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN CC(C)CC[C@@H](O)C1(C)CC1 87549424 573946155 /nfs/dbraw/zinc/94/61/55/573946155.db2.gz JSTXNOPPPJNCFV-SECBINFHSA-N 0 0 156.269 2.584 10 0 AFAERN COc1ccccc1[C@@H](O)C1(C)CC1 87549916 573946159 /nfs/dbraw/zinc/94/61/59/573946159.db2.gz PVMMVVGVBJUQER-LLVKDONJSA-N 0 0 192.258 2.529 10 0 AFAERN Cc1cc(F)cc([C@H](O)C2(C)CC2)c1 87549908 573946174 /nfs/dbraw/zinc/94/61/74/573946174.db2.gz JDTKYGZKRUEELC-NSHDSACASA-N 0 0 194.249 2.968 10 0 AFAERN CC1(C(=O)Cc2cccc(F)c2)CC1 87549003 573946194 /nfs/dbraw/zinc/94/61/94/573946194.db2.gz KDGZKOPGJPULCQ-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN CC1([C@@H](O)c2ccc(F)cc2)CC1 87549746 573946200 /nfs/dbraw/zinc/94/62/00/573946200.db2.gz GGVKCGSIJKISAU-JTQLQIEISA-N 0 0 180.222 2.659 10 0 AFAERN CC1([C@@H](O)c2ccccc2F)CC1 87549654 573946216 /nfs/dbraw/zinc/94/62/16/573946216.db2.gz YKIFPSSYFQZSLW-JTQLQIEISA-N 0 0 180.222 2.659 10 0 AFAERN CC1(C(=O)c2ccsc2)CC1 87549148 573946305 /nfs/dbraw/zinc/94/63/05/573946305.db2.gz DABAZDZNUBMCGQ-UHFFFAOYSA-N 0 0 166.245 2.731 10 0 AFAERN CC1(C(=O)c2cc(F)cc(F)c2)CC1 87549246 573946378 /nfs/dbraw/zinc/94/63/78/573946378.db2.gz CSVFESKJLTVLGL-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN COc1cccc([C@H](O)C2(C)CC2)c1 87550201 573946399 /nfs/dbraw/zinc/94/63/99/573946399.db2.gz URXBDDRQALKUTD-NSHDSACASA-N 0 0 192.258 2.529 10 0 AFAERN C=C=C(C)Cc1ccccc1C=O 238204481 573946442 /nfs/dbraw/zinc/94/64/42/573946442.db2.gz GMYNSYIYJSLPGT-UHFFFAOYSA-N 0 0 172.227 2.773 10 0 AFAERN CCCC1C[C@@H]2CC(O)C[C@H](C1)C2 238205030 573946463 /nfs/dbraw/zinc/94/64/63/573946463.db2.gz AVXCYJQZNUZCKU-WSVSKBAQSA-N 0 0 182.307 2.974 10 0 AFAERN CC1([C@H](O)Cc2ccccc2F)CC1 87549719 573946498 /nfs/dbraw/zinc/94/64/98/573946498.db2.gz DRLHCJPZBCSEBG-LLVKDONJSA-N 0 0 194.249 2.529 10 0 AFAERN Cc1cc([C@H](O)C2(C)CC2)cs1 87549682 573946528 /nfs/dbraw/zinc/94/65/28/573946528.db2.gz QOFLJDWLTDZBDJ-VIFPVBQESA-N 0 0 182.288 2.890 10 0 AFAERN Cc1cc([C@@H](O)C2(C)CC2)cs1 87549684 573946543 /nfs/dbraw/zinc/94/65/43/573946543.db2.gz QOFLJDWLTDZBDJ-SECBINFHSA-N 0 0 182.288 2.890 10 0 AFAERN CC1([C@@H](O)c2c(F)cccc2F)CC1 87550010 573946568 /nfs/dbraw/zinc/94/65/68/573946568.db2.gz DSXBOCTUWYFVEE-JTQLQIEISA-N 0 0 198.212 2.798 10 0 AFAERN CC1([C@H](O)c2ccccc2)CC1 87549760 573946574 /nfs/dbraw/zinc/94/65/74/573946574.db2.gz QHUCLWHDUDDFGR-SNVBAGLBSA-N 0 0 162.232 2.520 10 0 AFAERN CC1(C)CC=C2C[C@H](O)C[C@@H]2C1 238205803 573946627 /nfs/dbraw/zinc/94/66/27/573946627.db2.gz BVQJZZJNNUVRPH-ZJUUUORDSA-N 0 0 166.264 2.504 10 0 AFAERN Cc1ccccc1[C@@H](O)C1(C)CC1 87549751 573946634 /nfs/dbraw/zinc/94/66/34/573946634.db2.gz BFBKTVGEMUCMFR-LLVKDONJSA-N 0 0 176.259 2.829 10 0 AFAERN Cc1cc(F)ccc1[C@@H](O)C1(C)CC1 87550284 573946639 /nfs/dbraw/zinc/94/66/39/573946639.db2.gz JOJZOGPRIIAYEH-LLVKDONJSA-N 0 0 194.249 2.968 10 0 AFAERN Cc1ccccc1C[C@H](O)C1(C)CC1 87550237 573946660 /nfs/dbraw/zinc/94/66/60/573946660.db2.gz CALQCJACZRSJRC-LBPRGKRZSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc([C@@H](O)C2(C)CC2)cc1 87550255 573946665 /nfs/dbraw/zinc/94/66/65/573946665.db2.gz CJGOKDRIWKFFHP-LLVKDONJSA-N 0 0 176.259 2.829 10 0 AFAERN CC[C@H](C)C[C@H](O)C1(C)CC1 87549780 573946671 /nfs/dbraw/zinc/94/66/71/573946671.db2.gz QVRIWFUQVUQODG-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)CC[C@H](O)C1(C)CC1 87549422 573946695 /nfs/dbraw/zinc/94/66/95/573946695.db2.gz JSTXNOPPPJNCFV-VIFPVBQESA-N 0 0 156.269 2.584 10 0 AFAERN Cc1nc(C2(C)CC2)sc1[C@H](C)O 87553620 573947580 /nfs/dbraw/zinc/94/75/80/573947580.db2.gz MYJMJRBFBDTPOK-ZETCQYMHSA-N 0 0 197.303 2.556 10 0 AFAERN Cc1cnc(C)c(N[C@H](C)C(C)C)n1 87555485 573947614 /nfs/dbraw/zinc/94/76/14/573947614.db2.gz LECYKFSSHQKMRS-SECBINFHSA-N 0 0 193.294 2.550 10 0 AFAERN CC1(C)S[C@@H](O)c2ccccc21 238205008 573947637 /nfs/dbraw/zinc/94/76/37/573947637.db2.gz UTZXKUPDPPDNJF-SECBINFHSA-N 0 0 180.272 2.659 10 0 AFAERN O=C(CC1CCC1)c1cncs1 87572722 573947730 /nfs/dbraw/zinc/94/77/30/573947730.db2.gz JWRBECZVAIBUFJ-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN CCC1([C@@H](NC)C(F)(F)F)CCC1 686126542 573947732 /nfs/dbraw/zinc/94/77/32/573947732.db2.gz NCEAPDCQMMLXHN-SSDOTTSWSA-N 0 0 195.228 2.717 10 0 AFAERN CCCCC[C@H](O)c1cncs1 87573141 573947761 /nfs/dbraw/zinc/94/77/61/573947761.db2.gz JQUWZNGXCKEVIU-QMMMGPOBSA-N 0 0 185.292 2.757 10 0 AFAERN CC(C)c1onc2ccc(C=O)cc12 257907713 573947799 /nfs/dbraw/zinc/94/77/99/573947799.db2.gz ZSDARYLYHLKWQD-UHFFFAOYSA-N 0 0 189.214 2.764 10 0 AFAERN CC(C)[C@@]1(Cl)CC[C@@H](C)C[C@@H]1O 238205421 573947893 /nfs/dbraw/zinc/94/78/93/573947893.db2.gz UYMMBSZASDYHCN-UTLUCORTSA-N 0 0 190.714 2.801 10 0 AFAERN CC(C)[C@@]1(C)O[C@H](C)CS1 238203996 573947950 /nfs/dbraw/zinc/94/79/50/573947950.db2.gz ZJRIRHNYIJKQAS-SFYZADRCSA-N 0 0 160.282 2.511 10 0 AFAERN Cc1cnc(C)c(N[C@@H](C)C(C)C)n1 87555484 573947987 /nfs/dbraw/zinc/94/79/87/573947987.db2.gz LECYKFSSHQKMRS-VIFPVBQESA-N 0 0 193.294 2.550 10 0 AFAERN CC1(C)Oc2ccc(O)cc2S1 238203955 573947994 /nfs/dbraw/zinc/94/79/94/573947994.db2.gz YPPVCULOKPMXMQ-UHFFFAOYSA-N 0 0 182.244 2.613 10 0 AFAERN CC(C)[C@@](C)(c1ccccc1)[C@@H](C)O 238205237 573948008 /nfs/dbraw/zinc/94/80/08/573948008.db2.gz DULCYRODEUIPAT-DGCLKSJQSA-N 0 0 192.302 2.981 10 0 AFAERN C=CC1=C(C)CCC(=O)C1(C)C 238204457 573948045 /nfs/dbraw/zinc/94/80/45/573948045.db2.gz SRIZKBDBOQHYPU-UHFFFAOYSA-N 0 0 164.248 2.878 10 0 AFAERN CC1(C)Sc2ccccc2[C@H]1O 238206383 573948065 /nfs/dbraw/zinc/94/80/65/573948065.db2.gz LWAGYIGMFPCRPM-SECBINFHSA-N 0 0 180.272 2.604 10 0 AFAERN CC1=C(C)[C@]23CCC[C@]12CCC3=O 238204217 573948146 /nfs/dbraw/zinc/94/81/46/573948146.db2.gz NKWSPDGIUMOXSI-RYUDHWBXSA-N 0 0 176.259 2.856 10 0 AFAERN CC1=C[C@H](C)CC[C@]1(O)C(C)C 238206400 573948211 /nfs/dbraw/zinc/94/82/11/573948211.db2.gz ZEBCAPFZRROLHD-KOLCDFICSA-N 0 0 168.280 2.750 10 0 AFAERN CC1(C)CC=C2C[C@H](O)C[C@H]2C1 238205818 573948232 /nfs/dbraw/zinc/94/82/32/573948232.db2.gz BVQJZZJNNUVRPH-UWVGGRQHSA-N 0 0 166.264 2.504 10 0 AFAERN Cc1ccc(O)c([C@@](C)(O)C(C)C)c1 238205056 573948238 /nfs/dbraw/zinc/94/82/38/573948238.db2.gz JWAQZAHVXQJMOE-LBPRGKRZSA-N 0 0 194.274 2.564 10 0 AFAERN CC1(C)CC=C2C[C@@H](O)C[C@@H]2C1 238205772 573948252 /nfs/dbraw/zinc/94/82/52/573948252.db2.gz BVQJZZJNNUVRPH-NXEZZACHSA-N 0 0 166.264 2.504 10 0 AFAERN CC1(C)CCC(=O)[C@H]2CC=C[C@H]21 238207336 573951834 /nfs/dbraw/zinc/95/18/34/573951834.db2.gz UBUOYZDJFONINK-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)c1ccc(F)c(OC(C)C)c1 238207682 573951865 /nfs/dbraw/zinc/95/18/65/573951865.db2.gz VDEHYEJKPMWQCC-UHFFFAOYSA-N 0 0 196.221 2.816 10 0 AFAERN CC(F)(F)[C@@H](O)/C=C/c1ccccc1 238206846 573951876 /nfs/dbraw/zinc/95/18/76/573951876.db2.gz RAEKTBRIGXIGKM-JARNTUPDSA-N 0 0 198.212 2.716 10 0 AFAERN CC1(C)C(=O)CCC[C@@H]1C1CC1 238207287 573951931 /nfs/dbraw/zinc/95/19/31/573951931.db2.gz QWQCIFGRFXWQBP-SECBINFHSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ncccc1NCC1CCC1 87584663 573951936 /nfs/dbraw/zinc/95/19/36/573951936.db2.gz UTOMNTOOPOPFSB-UHFFFAOYSA-N 0 0 176.263 2.602 10 0 AFAERN CC(C)n1ccc(C(C)(C)C)n1 85020276 573951993 /nfs/dbraw/zinc/95/19/93/573951993.db2.gz WBNCEJJCXGXQHP-UHFFFAOYSA-N 0 0 166.268 2.762 10 0 AFAERN CC(C)n1nc2c(c1Cl)CCC2 85019110 573952015 /nfs/dbraw/zinc/95/20/15/573952015.db2.gz GDCRJIJGWOZOAU-UHFFFAOYSA-N 0 0 184.670 2.606 10 0 AFAERN CC[C@H](C)n1ccc(C(C)C)n1 85020399 573952040 /nfs/dbraw/zinc/95/20/40/573952040.db2.gz SDSPLGSSHLEXNB-VIFPVBQESA-N 0 0 166.268 2.978 10 0 AFAERN CCCn1nc2c(c1Cl)CCCC2 85019214 573952064 /nfs/dbraw/zinc/95/20/64/573952064.db2.gz SCDIKPWXNDCVTP-UHFFFAOYSA-N 0 0 198.697 2.825 10 0 AFAERN CCC(O)(CC)c1ccc(C)c(O)c1 238208007 573952084 /nfs/dbraw/zinc/95/20/84/573952084.db2.gz ISRHWXQBBYGNEW-UHFFFAOYSA-N 0 0 194.274 2.708 10 0 AFAERN CC(C)Cn1nc2c(c1Cl)CCC2 85018854 573952094 /nfs/dbraw/zinc/95/20/94/573952094.db2.gz XLXRSNANVICFNR-UHFFFAOYSA-N 0 0 198.697 2.681 10 0 AFAERN CC(C)[C@@]12CCCC(=O)[C@@H]1CC2 238207277 573952133 /nfs/dbraw/zinc/95/21/33/573952133.db2.gz UPTVLASMUHEWDH-ONGXEEELSA-N 0 0 166.264 2.792 10 0 AFAERN CCc1cc(Cl)n(C(C)(C)C)n1 85018836 573952153 /nfs/dbraw/zinc/95/21/53/573952153.db2.gz XIVCWJGRAXPXMK-UHFFFAOYSA-N 0 0 186.686 2.854 10 0 AFAERN O=Cc1ccc2onc(C3CC3)c2c1 257910305 573952183 /nfs/dbraw/zinc/95/21/83/573952183.db2.gz QGDBORONXBNVLS-UHFFFAOYSA-N 0 0 187.198 2.518 10 0 AFAERN CCCn1nc(C)c(C)c1Cl 85019211 573952186 /nfs/dbraw/zinc/95/21/86/573952186.db2.gz JYQPYOKRKVOLCS-UHFFFAOYSA-N 0 0 172.659 2.563 10 0 AFAERN CCCCOCCn1c(C)ccc1C 45109263 573952206 /nfs/dbraw/zinc/95/22/06/573952206.db2.gz BQLKIZDEMRXGKA-UHFFFAOYSA-N 0 0 195.306 2.922 10 0 AFAERN Cc1ccc(-c2ncc3ccccn23)o1 257911160 573952253 /nfs/dbraw/zinc/95/22/53/573952253.db2.gz GXJARXNDZRSCKZ-UHFFFAOYSA-N 0 0 198.225 2.903 10 0 AFAERN Cc1c(Cl)cccc1[C@H](C)CO 258186839 573952258 /nfs/dbraw/zinc/95/22/58/573952258.db2.gz WZIQZOYGFJOSAH-SSDOTTSWSA-N 0 0 184.666 2.744 10 0 AFAERN CC[C@@H](C)n1nc(C)cc1Cl 85019385 573952269 /nfs/dbraw/zinc/95/22/69/573952269.db2.gz SCLNMEYCJCLXIX-SSDOTTSWSA-N 0 0 172.659 2.816 10 0 AFAERN O=C(CC1CCCC1)CC1CC1 87580815 573952281 /nfs/dbraw/zinc/95/22/81/573952281.db2.gz FBWKTMHKOOJQQR-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)n1cc(NCC2CCC2)cn1 87584653 573952291 /nfs/dbraw/zinc/95/22/91/573952291.db2.gz XDHLSXZSSLJEPD-UHFFFAOYSA-N 0 0 193.294 2.676 10 0 AFAERN CC(C)c1ccn(C(C)(C)C)n1 85020171 573952297 /nfs/dbraw/zinc/95/22/97/573952297.db2.gz BHFRMKSQZSZHNS-UHFFFAOYSA-N 0 0 166.268 2.762 10 0 AFAERN CC1(C)C(=C=C2CCCC2)[C@@H]1CO 238206542 573952325 /nfs/dbraw/zinc/95/23/25/573952325.db2.gz SUNVKTKCTGUEEU-NSHDSACASA-N 0 0 178.275 2.660 10 0 AFAERN CC1(C)CCC(=O)[C@H]2CC=C[C@@H]21 238207319 573952330 /nfs/dbraw/zinc/95/23/30/573952330.db2.gz UBUOYZDJFONINK-IUCAKERBSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)[C@]1(C)CC[C@@H](C)C1=O 238208265 573952409 /nfs/dbraw/zinc/95/24/09/573952409.db2.gz IPOLFBRFHCNCJS-SCZZXKLOSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cc(Cl)n(C2CCCC2)n1 85019244 573952418 /nfs/dbraw/zinc/95/24/18/573952418.db2.gz LVAHCJHVRNCCAF-UHFFFAOYSA-N 0 0 184.670 2.960 10 0 AFAERN FC(F)c1ccn(C2CCCC2)n1 85020317 573952457 /nfs/dbraw/zinc/95/24/57/573952457.db2.gz OAQWKFVOXAQRDH-UHFFFAOYSA-N 0 0 186.205 2.936 10 0 AFAERN CCc1nn(C(C)C)c(Cl)c1C 85019134 573952463 /nfs/dbraw/zinc/95/24/63/573952463.db2.gz BZQMVGORKJMWSM-UHFFFAOYSA-N 0 0 186.686 2.988 10 0 AFAERN Cc1ccc(F)c([C@@H](O)CC2CC2)c1 87581276 573952494 /nfs/dbraw/zinc/95/24/94/573952494.db2.gz WOHBEOKJSKSDIT-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN CCc1ccn(C2CCCCC2)n1 85020330 573952510 /nfs/dbraw/zinc/95/25/10/573952510.db2.gz KEGLRKJRVVAUCD-UHFFFAOYSA-N 0 0 178.279 2.951 10 0 AFAERN CC(C)(C)n1nc2c(c1Cl)CCC2 85018797 573952517 /nfs/dbraw/zinc/95/25/17/573952517.db2.gz WASUBTMHFGVQKS-UHFFFAOYSA-N 0 0 198.697 2.780 10 0 AFAERN CC(=O)Cc1ccc2ccnc(C)c2c1 258188330 573952527 /nfs/dbraw/zinc/95/25/27/573952527.db2.gz RKKIQWZLCUWSQE-UHFFFAOYSA-N 0 0 199.253 2.675 10 0 AFAERN CC1(C)CCC2=C(C[C@H](O)C2)C1 238209503 573955383 /nfs/dbraw/zinc/95/53/83/573955383.db2.gz FQKSXSXPOGXNLC-SNVBAGLBSA-N 0 0 166.264 2.648 10 0 AFAERN C/C(=C\C=C\[C@H](C)O)C(C)C 238210264 573956067 /nfs/dbraw/zinc/95/60/67/573956067.db2.gz MYLHGPRSZUEARQ-NXMPLNPZSA-N 0 0 154.253 2.526 10 0 AFAERN Cc1cc(F)ccc1[C@@H](O)CC1CC1 87581095 573955513 /nfs/dbraw/zinc/95/55/13/573955513.db2.gz SCOHRHJRYMZEOD-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN Fc1ccccc1CCCOC1CC1 238558105 573955546 /nfs/dbraw/zinc/95/55/46/573955546.db2.gz AANSVTPQIYJYPA-UHFFFAOYSA-N 0 0 194.249 2.937 10 0 AFAERN CC1(C)CCC2=C[C@H](O)C[C@H]2C1 238209611 573955579 /nfs/dbraw/zinc/95/55/79/573955579.db2.gz RWKPQAVCTQNPEM-UWVGGRQHSA-N 0 0 166.264 2.504 10 0 AFAERN CC(=O)c1nc(C2CCC2)c(C)s1 259251725 573955640 /nfs/dbraw/zinc/95/56/40/573955640.db2.gz NPPKQCLZTBAEMS-UHFFFAOYSA-N 0 0 195.287 2.922 10 0 AFAERN CC(C)[C@@]1(O)CCC[C@@H](C2CC2)C1 81646887 573955689 /nfs/dbraw/zinc/95/56/89/573955689.db2.gz CGJVFDILRXNPRE-VXGBXAGGSA-N 0 0 182.307 2.974 10 0 AFAERN O=C(CC1CCC1)CC1CC1 87580882 573955698 /nfs/dbraw/zinc/95/56/98/573955698.db2.gz RHVUMDBTNRYYAC-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)[C@]1(Cl)CC[C@@H](C)C[C@@H]1O 238210292 573955811 /nfs/dbraw/zinc/95/58/11/573955811.db2.gz UYMMBSZASDYHCN-KXUCPTDWSA-N 0 0 190.714 2.801 10 0 AFAERN CC1(C)CCC2=C[C@@H](O)C[C@@H]2C1 238209574 573955814 /nfs/dbraw/zinc/95/58/14/573955814.db2.gz RWKPQAVCTQNPEM-NXEZZACHSA-N 0 0 166.264 2.504 10 0 AFAERN Cc1cc(F)cc([C@@H](O)CC2CC2)c1 87581260 573955821 /nfs/dbraw/zinc/95/58/21/573955821.db2.gz ZHXWAFCCGKBQHA-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN COc1ccc(-c2cocc2N)cc1 258188692 573956081 /nfs/dbraw/zinc/95/60/81/573956081.db2.gz TYGWXJKGRCSUNZ-UHFFFAOYSA-N 0 0 189.214 2.537 10 0 AFAERN C[C@@H](O)c1cc2c(O)cccc2s1 257912537 573955869 /nfs/dbraw/zinc/95/58/69/573955869.db2.gz NRVAZYDZPLSCPA-ZCFIWIBFSA-N 0 0 194.255 2.660 10 0 AFAERN CC(C)[C@]1(C)O[C@H](C)CS1 238209131 573955871 /nfs/dbraw/zinc/95/58/71/573955871.db2.gz ZJRIRHNYIJKQAS-HTQZYQBOSA-N 0 0 160.282 2.511 10 0 AFAERN CCC(=C(C)C)[C@H](C)C(C)=O 238208949 573955874 /nfs/dbraw/zinc/95/58/74/573955874.db2.gz XJBUGILDTLENAL-MRVPVSSYSA-N 0 0 154.253 2.958 10 0 AFAERN CC[C@]1(O)CCC[C@@H](C2CC2)C1 81647953 573955993 /nfs/dbraw/zinc/95/59/93/573955993.db2.gz KPGAXHMAXQXCKF-MNOVXSKESA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)[C@@]1(O)CCC[C@H](C2CC2)C1 81646879 573956024 /nfs/dbraw/zinc/95/60/24/573956024.db2.gz CGJVFDILRXNPRE-NWDGAFQWSA-N 0 0 182.307 2.974 10 0 AFAERN CCC=C=C[C@H](CC)[C@@H](C)O 238216828 573963435 /nfs/dbraw/zinc/96/34/35/573963435.db2.gz WEMADARFBCRTDU-MKSVKPQVSA-N 0 0 154.253 2.515 10 0 AFAERN CC1=CC[C@H]([C@@H](O)C(C)C)CC1 238216983 573963441 /nfs/dbraw/zinc/96/34/41/573963441.db2.gz UFGGLSSPIWKIME-QWRGUYRKSA-N 0 0 168.280 2.750 10 0 AFAERN CCC/C=C/[C@H]1C(=O)[C@H]2CCC[C@@H]12 238216155 573963453 /nfs/dbraw/zinc/96/34/53/573963453.db2.gz WKPOLWIXYJISEY-ZRQAHNNPSA-N 0 0 178.275 2.958 10 0 AFAERN CCC(=O)Nc1coc2ccccc12 238216043 573963580 /nfs/dbraw/zinc/96/35/80/573963580.db2.gz RSLUZARFXVJYEQ-UHFFFAOYSA-N 0 0 189.214 2.781 10 0 AFAERN CCC=C=C[C@H](CC)[C@H](C)O 238216860 573963591 /nfs/dbraw/zinc/96/35/91/573963591.db2.gz WEMADARFBCRTDU-IVNRZZHDSA-N 0 0 154.253 2.515 10 0 AFAERN CC1(C)CCNc2ccccc2[C@H]1O 238216665 573963604 /nfs/dbraw/zinc/96/36/04/573963604.db2.gz DMAAERPZEZEHTF-LLVKDONJSA-N 0 0 191.274 2.562 10 0 AFAERN CCC=C=C[C@@H](O)c1ccccc1 238216785 573963637 /nfs/dbraw/zinc/96/36/37/573963637.db2.gz SHZFYMGXVDTRHI-AVQSDEANSA-N 0 0 174.243 2.841 10 0 AFAERN CCCOCC(=O)CC(CC)CC 127892864 573963683 /nfs/dbraw/zinc/96/36/83/573963683.db2.gz NSQBNXLJKKAPLF-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN Cc1cc2cc([C@H](C)O)ccc2o1 257920287 573963774 /nfs/dbraw/zinc/96/37/74/573963774.db2.gz BYIZSJAJTZYEBT-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN CO[C@@H](C)CC(=O)C1CCC(C)CC1 127895218 573963787 /nfs/dbraw/zinc/96/37/87/573963787.db2.gz OXEWAKQXNWFKRB-YVNMAJEFSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(CC)=C(C)[C@@H](C)O 238219482 573965585 /nfs/dbraw/zinc/96/55/85/573965585.db2.gz GBRIAFHVTPTHRM-MRVPVSSYSA-N 0 0 142.242 2.504 10 0 AFAERN CC1=CC[C@@H]([C@@H](O)C(C)C)CC1 238219206 573965606 /nfs/dbraw/zinc/96/56/06/573965606.db2.gz UFGGLSSPIWKIME-MNOVXSKESA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)c1cccc2c1C(=O)CCN2 238219591 573965626 /nfs/dbraw/zinc/96/56/26/573965626.db2.gz JUPKQLRSIOLFLJ-UHFFFAOYSA-N 0 0 189.258 2.808 10 0 AFAERN O[C@@H](CC1CCCC1)c1cscn1 87589114 573965633 /nfs/dbraw/zinc/96/56/33/573965633.db2.gz PHTRXKAUQLGYFP-JTQLQIEISA-N 0 0 197.303 2.757 10 0 AFAERN CO[C@H](C)CC(=O)CC1CCCCC1 127889984 573965675 /nfs/dbraw/zinc/96/56/75/573965675.db2.gz KGTPQUSRSIZHEZ-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1nccn1C[C@@H]1CC=CCC1 402399970 573965677 /nfs/dbraw/zinc/96/56/77/573965677.db2.gz NPYRCXYHNAIWGG-LLVKDONJSA-N 0 0 176.263 2.548 10 0 AFAERN O=C(CC1CCCC1)c1cscn1 87588919 573965734 /nfs/dbraw/zinc/96/57/34/573965734.db2.gz MRGLKVNOAYKFDJ-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN CCC(CC)=C(CC)CO 238219629 573965766 /nfs/dbraw/zinc/96/57/66/573965766.db2.gz UHEUDOHPPQYDAF-UHFFFAOYSA-N 0 0 142.242 2.505 10 0 AFAERN Cc1ccc(Cl)c(C[C@@H](C)O)c1 258192053 573965875 /nfs/dbraw/zinc/96/58/75/573965875.db2.gz XOKYTOVUWQVAGA-MRVPVSSYSA-N 0 0 184.666 2.572 10 0 AFAERN CCC[C@@H]1CCc2ccc(N)cc2N1 238218614 573965877 /nfs/dbraw/zinc/96/58/77/573965877.db2.gz WZPSULIDSNHXTL-LLVKDONJSA-N 0 0 190.290 2.796 10 0 AFAERN Cc1cccc(-c2ccoc2N)c1 258191496 573966012 /nfs/dbraw/zinc/96/60/12/573966012.db2.gz ULLXJYGJSUVXRK-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CO[C@H](C)c1c[nH]c2ccccc12 81947405 573977077 /nfs/dbraw/zinc/97/70/77/573977077.db2.gz WTYNPGSVXZFQNJ-MRVPVSSYSA-N 0 0 175.231 2.875 10 0 AFAERN CC1(C)C[C@H]2[C@H](C[C@H]3CC=C[C@H]32)[C@@H]1O 238221341 573977138 /nfs/dbraw/zinc/97/71/38/573977138.db2.gz HDRZQYIMPMVHNK-ZIQFBCGOSA-N 0 0 192.302 2.606 10 0 AFAERN Cc1cc(Cl)ccc1[C@@H]1C[C@@H]1CO 235865111 573977147 /nfs/dbraw/zinc/97/71/47/573977147.db2.gz ZBRNZLSBEJPKSB-LDYMZIIASA-N 0 0 196.677 2.744 10 0 AFAERN CCc1nc([C@H](C)CC)cnc1C 104401605 573976595 /nfs/dbraw/zinc/97/65/95/573976595.db2.gz UEGAGBLRFJLIDC-MRVPVSSYSA-N 0 0 178.279 2.861 10 0 AFAERN FC(F)(F)c1ccc2cnoc2c1 104402524 573976674 /nfs/dbraw/zinc/97/66/74/573976674.db2.gz AFQFIVONXIQANL-UHFFFAOYSA-N 0 0 187.120 2.847 10 0 AFAERN CC1(C)C(=O)[C@@H]2CC/C=C/CC[C@@H]21 238225161 573984222 /nfs/dbraw/zinc/98/42/22/573984222.db2.gz YRNVLWPBQCJJRU-OKWQPMOJSA-N 0 0 178.275 2.958 10 0 AFAERN CCCCC(=O)NC=C(Cl)Cl 238224797 573984230 /nfs/dbraw/zinc/98/42/30/573984230.db2.gz JVPDWBSYIHSYLU-UHFFFAOYSA-N 0 0 196.077 2.569 10 0 AFAERN C=COc1cccc(Br)c1 82099373 573984241 /nfs/dbraw/zinc/98/42/41/573984241.db2.gz LZPZAVFEBZGWQF-UHFFFAOYSA-N 0 0 199.047 2.971 10 0 AFAERN CC1=CC(C)(C)[C@@H](C/C=C/CO)C1 238224757 573984313 /nfs/dbraw/zinc/98/43/13/573984313.db2.gz HZBQRXUTWGFULR-ZWNMCFTASA-N 0 0 180.291 2.917 10 0 AFAERN CC1=CC(C)(C)Nc2noc(C)c21 238224377 573984318 /nfs/dbraw/zinc/98/43/18/573984318.db2.gz ANZJSZQLMMWSRS-UHFFFAOYSA-N 0 0 178.235 2.590 10 0 AFAERN CC1(C)CC[C@@H]2[C@@H]3C(=O)C[C@@H]1[C@@]32C 238224767 573984347 /nfs/dbraw/zinc/98/43/47/573984347.db2.gz KAKAFBYCDZAPKJ-LZDMXVKQSA-N 0 0 178.275 2.648 10 0 AFAERN CCSC[C@@H](O)CC(CC)CC 127975432 573984508 /nfs/dbraw/zinc/98/45/08/573984508.db2.gz RRFBVILGHBZDHU-JTQLQIEISA-N 0 0 190.352 2.927 10 0 AFAERN CC1(C)C(=O)CC[C@H]2CCC[C@@H]21 238225465 573984581 /nfs/dbraw/zinc/98/45/81/573984581.db2.gz CCRNUDLSYMRHDS-BDAKNGLRSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(CC)CC(=O)C[C@@H](C)OC 127981913 573985625 /nfs/dbraw/zinc/98/56/25/573985625.db2.gz QADJMSWHJZERBS-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN c1cnc2cc3c(cc2c1)NCCC3 82080232 573985693 /nfs/dbraw/zinc/98/56/93/573985693.db2.gz NUEPMBZHASLKSU-UHFFFAOYSA-N 0 0 184.242 2.593 10 0 AFAERN CNc1coc(-c2ccc(F)cc2)n1 104453273 573985703 /nfs/dbraw/zinc/98/57/03/573985703.db2.gz CLCMERWCRKZRGE-UHFFFAOYSA-N 0 0 192.193 2.522 10 0 AFAERN CCOc1cnc(-c2ccc(C)o2)o1 259258837 573984962 /nfs/dbraw/zinc/98/49/62/573984962.db2.gz LCVTYUFUPXFZNU-UHFFFAOYSA-N 0 0 193.202 2.642 10 0 AFAERN CC1=CCCC(=O)[C@H]1C(C)C 238225128 573984966 /nfs/dbraw/zinc/98/49/66/573984966.db2.gz GPJWZNSWVJBDIP-JTQLQIEISA-N 0 0 152.237 2.568 10 0 AFAERN OCCc1ccc2ccc(F)cc2c1 82047897 573985041 /nfs/dbraw/zinc/98/50/41/573985041.db2.gz PEBXWAPKWHRKHI-UHFFFAOYSA-N 0 0 190.217 2.514 10 0 AFAERN CCCc1[nH]nc2c(O)c(C)ccc12 238224366 573985094 /nfs/dbraw/zinc/98/50/94/573985094.db2.gz SGAGPUDZFJJKLC-UHFFFAOYSA-N 0 0 190.246 2.529 10 0 AFAERN Cc1cc(O)c(C(C)C)c(O)c1N=O 238225086 573985267 /nfs/dbraw/zinc/98/52/67/573985267.db2.gz YMPONMMNRMMSAT-UHFFFAOYSA-N 0 0 195.218 2.928 10 0 AFAERN CCC[C@H](O)C(C)(C)CC 82088694 573985296 /nfs/dbraw/zinc/98/52/96/573985296.db2.gz UGAZGYFCTFGQQH-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN CC1=CC(C)(C)[C@H](C/C=C/CO)C1 238225096 573985394 /nfs/dbraw/zinc/98/53/94/573985394.db2.gz HZBQRXUTWGFULR-SGUJLRQBSA-N 0 0 180.291 2.917 10 0 AFAERN CC1(C)C(=O)CC[C@@H]2CCC[C@@H]21 238225592 573985515 /nfs/dbraw/zinc/98/55/15/573985515.db2.gz CCRNUDLSYMRHDS-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)C(=O)C[C@H]2C=CCC[C@@H]21 238225174 573985556 /nfs/dbraw/zinc/98/55/56/573985556.db2.gz DTBVVKOAXWQCSJ-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN CCCCC[C@@]1(C)CCC1=O 238224783 573985597 /nfs/dbraw/zinc/98/55/97/573985597.db2.gz HBKIMULNBQBRND-JTQLQIEISA-N 0 0 154.253 2.936 10 0 AFAERN CC1(C)C(=O)[C@]2(C)C=C[C@@]1(C)CC2 238232765 573990837 /nfs/dbraw/zinc/99/08/37/573990837.db2.gz NRGWHGWTLKJSHU-NEPJUHHUSA-N 0 0 178.275 2.958 10 0 AFAERN CCCCCOCCCC[C@H](C)O 45622234 573990886 /nfs/dbraw/zinc/99/08/86/573990886.db2.gz JPZAJWQPKHWEEN-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCC[C@@](C)(O)C=C(C)C 87649442 573990901 /nfs/dbraw/zinc/99/09/01/573990901.db2.gz JRIINJGLZSHLIL-SECBINFHSA-N 0 0 142.242 2.504 10 0 AFAERN CC[C@H]1NC(=O)CC12CCCCCC2 85136851 573990919 /nfs/dbraw/zinc/99/09/19/573990919.db2.gz CIUSSNYCJDZTKC-SNVBAGLBSA-N 0 0 195.306 2.626 10 0 AFAERN CC[C@H](C)C(=O)C[C@@H]1CCCCO1 128012611 573991001 /nfs/dbraw/zinc/99/10/01/573991001.db2.gz FOJKJGQRVUXUJY-UWVGGRQHSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](O)c1sccc1Cl 87623236 573991066 /nfs/dbraw/zinc/99/10/66/573991066.db2.gz GVSUHHHCJFXEBD-ZCFIWIBFSA-N 0 0 176.668 2.845 10 0 AFAERN CCC(C)(C)OCCCC[C@@H](C)O 45622038 573991081 /nfs/dbraw/zinc/99/10/81/573991081.db2.gz QDJYNXCMNMCXAQ-SNVBAGLBSA-N 0 0 188.311 2.743 10 0 AFAERN CCC(CC)C[C@@H](O)CC1CC1 128014656 573991090 /nfs/dbraw/zinc/99/10/90/573991090.db2.gz MXAATFKAIKBLHS-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)C(=O)[C@@]2(C)C=C[C@]1(C)CC2 238233049 573991097 /nfs/dbraw/zinc/99/10/97/573991097.db2.gz NRGWHGWTLKJSHU-NWDGAFQWSA-N 0 0 178.275 2.958 10 0 AFAERN CC1(C)Cc2cc(F)c(F)cc2C1=O 104462365 573991099 /nfs/dbraw/zinc/99/10/99/573991099.db2.gz VBCOHEAFEQQZRN-UHFFFAOYSA-N 0 0 196.196 2.730 10 0 AFAERN CC1=CCC[C@@]2(C)C(=O)CC[C@@H]12 238233659 573991113 /nfs/dbraw/zinc/99/11/13/573991113.db2.gz XPCIJHPKPUBYIB-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@@H](C)C(=O)C[C@H]1CCCCO1 128012860 573991153 /nfs/dbraw/zinc/99/11/53/573991153.db2.gz FOJKJGQRVUXUJY-NXEZZACHSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@H]1NC(=O)CC12CCCCCCC2 85135766 573991189 /nfs/dbraw/zinc/99/11/89/573991189.db2.gz MFBYLQSDOVZRRS-SNVBAGLBSA-N 0 0 195.306 2.626 10 0 AFAERN CCC1(NC=S)CCCCC1 238233170 573991190 /nfs/dbraw/zinc/99/11/90/573991190.db2.gz SSHIMGQWNPMLAG-UHFFFAOYSA-N 0 0 171.309 2.646 10 0 AFAERN CC1(C)C=C(c2ccccc2)[C@H](O)C1 238233089 573991201 /nfs/dbraw/zinc/99/12/01/573991201.db2.gz ZUJHVFNBLBPGTN-GFCCVEGCSA-N 0 0 188.270 2.861 10 0 AFAERN CCC(=O)[C@H]1C(=C(C)C)C1(C)C 238233034 573991207 /nfs/dbraw/zinc/99/12/07/573991207.db2.gz WZOANBIZTDFIDC-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN CC1(C)C(=O)[C@]2(C)CC[C@@]1(C)C2 238233035 573991250 /nfs/dbraw/zinc/99/12/50/573991250.db2.gz PLIIZFFFSSESDX-MNOVXSKESA-N 0 0 166.264 2.792 10 0 AFAERN C/C=C/C(=O)N[C@H](C)c1cccs1 82237626 573991262 /nfs/dbraw/zinc/99/12/62/573991262.db2.gz AXISNWAQEZQSJR-RYEJSQLPSA-N 0 0 195.287 2.501 10 0 AFAERN CC(C)C[C@@H]1NC(=O)C[C@]1(C)C(C)C 85137346 573991271 /nfs/dbraw/zinc/99/12/71/573991271.db2.gz RLMHNZUDMQYAFC-CMPLNLGQSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(CC)C[C@@H](O)C1(C)CC1 128014228 573991383 /nfs/dbraw/zinc/99/13/83/573991383.db2.gz QGHMDFKJVAIBMO-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)C(=O)[C@@]2(C)CC[C@]1(C)C2 238232745 573991424 /nfs/dbraw/zinc/99/14/24/573991424.db2.gz PLIIZFFFSSESDX-WDEREUQCSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H]1NC(=O)CC12CCCCCC2 85136852 573991447 /nfs/dbraw/zinc/99/14/47/573991447.db2.gz CIUSSNYCJDZTKC-JTQLQIEISA-N 0 0 195.306 2.626 10 0 AFAERN CCC[C@](C)(O)C=C(C)C 87649441 573991498 /nfs/dbraw/zinc/99/14/98/573991498.db2.gz JRIINJGLZSHLIL-VIFPVBQESA-N 0 0 142.242 2.504 10 0 AFAERN CC1(C)C[C@@H](c2ccccc2)C1=O 238233753 573991530 /nfs/dbraw/zinc/99/15/30/573991530.db2.gz TXRNWFKTFGHRFM-JTQLQIEISA-N 0 0 174.243 2.769 10 0 AFAERN CCCC/C(CO)=C(/C)Cl 238233922 573991563 /nfs/dbraw/zinc/99/15/63/573991563.db2.gz DBQPROKLCYHPLP-BQYQJAHWSA-N 0 0 162.660 2.682 10 0 AFAERN CC1(C)C[C@@H]2C(=O)CC[C@]2(C)C1 238234001 573991592 /nfs/dbraw/zinc/99/15/92/573991592.db2.gz YBPGOZKFBOCACN-LDYMZIIASA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)CCCOCCC[C@H](C)O 45622035 573991605 /nfs/dbraw/zinc/99/16/05/573991605.db2.gz CUQLVMBSBNIHNY-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN Fc1cc(Cl)ccc1-c1ncc[nH]1 104466096 573991633 /nfs/dbraw/zinc/99/16/33/573991633.db2.gz OVDJGSGVGAVSNT-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN CC(C)C[C@H](C)OCCC[C@@H](C)O 45621903 573995941 /nfs/dbraw/zinc/99/59/41/573995941.db2.gz AYJCEVHLLMKNTP-MNOVXSKESA-N 0 0 188.311 2.599 10 0 AFAERN CCC(=O)[C@H]1[C@@H](C(C)C)C1(C)C 238235374 573995954 /nfs/dbraw/zinc/99/59/54/573995954.db2.gz JTQPSVGKAGWVLR-ZJUUUORDSA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C)C[C@@H]2CCCC[C@H]2[C@@H]1O 238234935 573995298 /nfs/dbraw/zinc/99/52/98/573995298.db2.gz VENIBDYKTBBXRP-AEJSXWLSSA-N 0 0 168.280 2.584 10 0 AFAERN CCC(CC)CC(=O)[C@@H]1CCCO1 127906710 573995314 /nfs/dbraw/zinc/99/53/14/573995314.db2.gz FXRJVIRSMGLGKK-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN Clc1ncc(-c2cccnc2)s1 104475092 573995318 /nfs/dbraw/zinc/99/53/18/573995318.db2.gz IOLVVXSVVXFYFW-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN c1cn2ccc(C3CCC3)cc2n1 104469517 573995367 /nfs/dbraw/zinc/99/53/67/573995367.db2.gz GAMABLBGUGRUGQ-UHFFFAOYSA-N 0 0 172.231 2.602 10 0 AFAERN COCc1ccc2ncc(C)cc2c1 259262617 573995445 /nfs/dbraw/zinc/99/54/45/573995445.db2.gz RKBLCMFQKGPQDS-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN CO[C@@H](C)CC(=O)c1ccc(C)s1 127910932 573995455 /nfs/dbraw/zinc/99/54/55/573995455.db2.gz CQDMSLZVDHXGHK-ZETCQYMHSA-N 0 0 198.287 2.664 10 0 AFAERN CC(=O)NC[C@]1(C)CC[C@H](C(C)C)C1 238235526 573995501 /nfs/dbraw/zinc/99/55/01/573995501.db2.gz CSIXSYXDQXYRSU-NWDGAFQWSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(=O)[C@H]1C[C@H]2C=C(C)[C@@H]1C2 238234786 573995584 /nfs/dbraw/zinc/99/55/84/573995584.db2.gz ADRKWGHBMZYBLI-GUBZILKMSA-N 0 0 164.248 2.568 10 0 AFAERN CCC(CC)C[C@@H](O)c1ccccn1 127940626 573995594 /nfs/dbraw/zinc/99/55/94/573995594.db2.gz BJVOMZREAQDVOE-GFCCVEGCSA-N 0 0 193.290 2.941 10 0 AFAERN C=CC1=CC(C)(C)C(=O)C1(C)C 238234911 573995632 /nfs/dbraw/zinc/99/56/32/573995632.db2.gz GDQWGFMEHPDBRU-UHFFFAOYSA-N 0 0 164.248 2.734 10 0 AFAERN CCc1cc(F)c(F)c2c1C(=O)CC2 104473907 573995648 /nfs/dbraw/zinc/99/56/48/573995648.db2.gz GQPHWCDXSNGEHZ-UHFFFAOYSA-N 0 0 196.196 2.656 10 0 AFAERN Cc1c[nH]c(-c2cc(C)c(C)o2)n1 104468412 573995657 /nfs/dbraw/zinc/99/56/57/573995657.db2.gz LHVAOPRSVVFYOK-UHFFFAOYSA-N 0 0 176.219 2.595 10 0 AFAERN CCC(=O)[C@H]1[C@H](C(C)C)C1(C)C 238235469 573995738 /nfs/dbraw/zinc/99/57/38/573995738.db2.gz JTQPSVGKAGWVLR-UWVGGRQHSA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C)C[C@@H]2CCCC(=O)[C@H]2C1 238234782 573995807 /nfs/dbraw/zinc/99/58/07/573995807.db2.gz YCUKNMGEHNLOSC-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(CC)CC(=O)C(C)(C)[NH+](C)C 127913720 573995854 /nfs/dbraw/zinc/99/58/54/573995854.db2.gz DTVGBTKJVRVZNP-UHFFFAOYSA-N 0 0 199.338 2.722 10 0 AFAERN CC1(C)CC(=O)[C@H]2CC=C[C@H]2C1 238234097 573995874 /nfs/dbraw/zinc/99/58/74/573995874.db2.gz BZTQXCOZRUVHCB-IUCAKERBSA-N 0 0 164.248 2.568 10 0 AFAERN CCCc1csc([C@H](CC)CO)n1 259265190 574001176 /nfs/dbraw/zinc/00/11/76/574001176.db2.gz OLPFZALUGYTGKX-MRVPVSSYSA-N 0 0 199.319 2.582 10 0 AFAERN Cc1ccc(SC=O)c(C)c1 259262913 574001210 /nfs/dbraw/zinc/00/12/10/574001210.db2.gz PZNKLPVAFBTAGD-UHFFFAOYSA-N 0 0 166.245 2.586 10 0 AFAERN CCC(=O)c1[nH]c(C)c(CC)c1C 238237684 574001258 /nfs/dbraw/zinc/00/12/58/574001258.db2.gz DPTGNVQNXFHPKL-UHFFFAOYSA-N 0 0 179.263 2.787 10 0 AFAERN CC(C)CCC(=O)C[C@@H]1CCCCO1 128025445 574001381 /nfs/dbraw/zinc/00/13/81/574001381.db2.gz IHXNDSOOPJGCKV-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)c1cc(C)c(O)c(CC)c1 238240070 574005415 /nfs/dbraw/zinc/00/54/15/574005415.db2.gz OCHVUFTYSWTUNI-UHFFFAOYSA-N 0 0 192.258 2.856 10 0 AFAERN CCc1ccc(C2(O)CC2)cc1CC 258198927 574005501 /nfs/dbraw/zinc/00/55/01/574005501.db2.gz YHAOSXULAAYUMR-UHFFFAOYSA-N 0 0 190.286 2.793 10 0 AFAERN CCCCC1=CCCC[C@H]1O 238240196 574005762 /nfs/dbraw/zinc/00/57/62/574005762.db2.gz ONMJPCBKFDABNS-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN C=Cc1cccnc1NCCC 209773591 574005792 /nfs/dbraw/zinc/00/57/92/574005792.db2.gz NTSURTVZUIZCCC-UHFFFAOYSA-N 0 0 162.236 2.547 10 0 AFAERN CC(=O)[C@]1(Cl)CC=C(C)CC1 238240320 574005858 /nfs/dbraw/zinc/00/58/58/574005858.db2.gz GWSXDQVPHFAEKB-VIFPVBQESA-N 0 0 172.655 2.683 10 0 AFAERN CCCc1ccc([C@H]2C[C@@H](O)C2)cc1 238245637 574005864 /nfs/dbraw/zinc/00/58/64/574005864.db2.gz VGTDIUHZJSCLOY-JOCQHMNTSA-N 0 0 190.286 2.877 10 0 AFAERN CC(C)CC(=O)[C@@H]1CCCCS1 87680701 574007985 /nfs/dbraw/zinc/00/79/85/574007985.db2.gz KRFCILWIFXEIQV-JTQLQIEISA-N 0 0 186.320 2.887 10 0 AFAERN CCCc1cc2cc(C)cnc2[nH]1 238239748 574008044 /nfs/dbraw/zinc/00/80/44/574008044.db2.gz UQCYYRFFPDBPMP-UHFFFAOYSA-N 0 0 174.247 2.824 10 0 AFAERN CC(C)C[C@H](O)c1cncn1C(C)C 85188987 574008060 /nfs/dbraw/zinc/00/80/60/574008060.db2.gz RNCVLVCZMGSWRU-NSHDSACASA-N 0 0 196.294 2.544 10 0 AFAERN CC[C@@H](C)C(=O)[C@H]1CCCCS1 87680414 574008077 /nfs/dbraw/zinc/00/80/77/574008077.db2.gz RGMCXSBZMQYDBH-RKDXNWHRSA-N 0 0 186.320 2.887 10 0 AFAERN CCC(=O)c1cccc(C)c1N=O 238245455 574007725 /nfs/dbraw/zinc/00/77/25/574007725.db2.gz FKIGSJGPXOPOJI-UHFFFAOYSA-N 0 0 177.203 2.986 10 0 AFAERN CCCNC(=O)SC(C)(C)C 238239893 574007727 /nfs/dbraw/zinc/00/77/27/574007727.db2.gz MTSZGINECCXMOZ-UHFFFAOYSA-N 0 0 175.297 2.638 10 0 AFAERN CC1(C)C(=O)[C@@H]2CC[C@H]1C2(C)C 238239873 574007751 /nfs/dbraw/zinc/00/77/51/574007751.db2.gz QLHCLRKQNJVZSV-YUMQZZPRSA-N 0 0 166.264 2.648 10 0 AFAERN O=C1CCOc2cccc(C(F)F)c21 104492236 574007810 /nfs/dbraw/zinc/00/78/10/574007810.db2.gz GUCKFHOLOFNYPE-UHFFFAOYSA-N 0 0 198.168 2.589 10 0 AFAERN O=C(C1CCC1)[C@@H]1CCCCS1 87680428 574007825 /nfs/dbraw/zinc/00/78/25/574007825.db2.gz UGEJWZGUDPCXKE-VIFPVBQESA-N 0 0 184.304 2.641 10 0 AFAERN CCC1=CCC(C)(C)[C@H](O)C1 238239925 574007855 /nfs/dbraw/zinc/00/78/55/574007855.db2.gz WVTOKRNITVPQEC-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN O=C(CC1CC1)[C@@H]1CCCCS1 87680202 574007859 /nfs/dbraw/zinc/00/78/59/574007859.db2.gz XVRSLXVCJSTTIV-JTQLQIEISA-N 0 0 184.304 2.641 10 0 AFAERN O=C(c1ccoc1)[C@H]1CCCCS1 87680308 574007910 /nfs/dbraw/zinc/00/79/10/574007910.db2.gz YWRYHCDLRDHALY-SECBINFHSA-N 0 0 196.271 2.748 10 0 AFAERN O=C(c1ccoc1)[C@@H]1CCCCS1 87680306 574007927 /nfs/dbraw/zinc/00/79/27/574007927.db2.gz YWRYHCDLRDHALY-VIFPVBQESA-N 0 0 196.271 2.748 10 0 AFAERN CCCCC1=CCCC[C@@H]1O 238240182 574007938 /nfs/dbraw/zinc/00/79/38/574007938.db2.gz ONMJPCBKFDABNS-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CCSCCC(CC)(CC)CO 131802551 574007939 /nfs/dbraw/zinc/00/79/39/574007939.db2.gz YLXDDXDNJUYMRM-UHFFFAOYSA-N 0 0 190.352 2.928 10 0 AFAERN O=C1CCOc2c1cccc2C(F)F 104492260 574007968 /nfs/dbraw/zinc/00/79/68/574007968.db2.gz VLKZHCDYVKTEQK-UHFFFAOYSA-N 0 0 198.168 2.589 10 0 AFAERN Cc1cn(C)c2cccc([C@@H](C)O)c12 258204311 574008206 /nfs/dbraw/zinc/00/82/06/574008206.db2.gz UVKKCNCIOXHWOO-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CC(C)n1cncc1[C@H](O)C(C)(C)C 85189055 574008225 /nfs/dbraw/zinc/00/82/25/574008225.db2.gz IPKAYPUCFSQEMV-JTQLQIEISA-N 0 0 196.294 2.544 10 0 AFAERN O=C(c1ccco1)[C@H]1CCCCS1 87680269 574008233 /nfs/dbraw/zinc/00/82/33/574008233.db2.gz UGSBUKMJBGOKTC-SECBINFHSA-N 0 0 196.271 2.748 10 0 AFAERN CC(C)C(C)(C)Br 111345787 574008235 /nfs/dbraw/zinc/00/82/35/574008235.db2.gz NILGDLGIGRGWRL-UHFFFAOYSA-N 0 0 165.074 2.816 10 0 AFAERN CC(C)(C)C(=O)[C@H]1CCCCS1 87680784 574008287 /nfs/dbraw/zinc/00/82/87/574008287.db2.gz TUDAHGMUYMCEEL-MRVPVSSYSA-N 0 0 186.320 2.887 10 0 AFAERN COC(C)(C)c1ccc(C(C)=O)cc1 258201125 574008300 /nfs/dbraw/zinc/00/83/00/574008300.db2.gz YLBWUHBQVQXEEH-UHFFFAOYSA-N 0 0 192.258 2.771 10 0 AFAERN O=C(C1CCC1)[C@H]1CCCCS1 87680430 574008305 /nfs/dbraw/zinc/00/83/05/574008305.db2.gz UGEJWZGUDPCXKE-SECBINFHSA-N 0 0 184.304 2.641 10 0 AFAERN CSc1cc(C)ccc1[C@H](C)CO 258201135 574008316 /nfs/dbraw/zinc/00/83/16/574008316.db2.gz YLRFJVMPVYMRTI-SECBINFHSA-N 0 0 196.315 2.813 10 0 AFAERN CCc1ccc(CC)c(C[C@@H](C)O)c1 258203029 574008394 /nfs/dbraw/zinc/00/83/94/574008394.db2.gz YNHMWMYOTTWOOR-SNVBAGLBSA-N 0 0 192.302 2.735 10 0 AFAERN CC1=C(C)C[C@@H]2CC(=O)C[C@@H]2C1 238246541 574008494 /nfs/dbraw/zinc/00/84/94/574008494.db2.gz FJGXKSRIVLUQSH-AOOOYVTPSA-N 0 0 164.248 2.712 10 0 AFAERN O=C1CCCc2c1ccc1c2CCC1 104494267 574008506 /nfs/dbraw/zinc/00/85/06/574008506.db2.gz GEQBCSXBIXRZNI-UHFFFAOYSA-N 0 0 186.254 2.694 10 0 AFAERN CC[C@H](C)C(=O)[C@@H]1CCCCS1 87680413 574008553 /nfs/dbraw/zinc/00/85/53/574008553.db2.gz RGMCXSBZMQYDBH-IUCAKERBSA-N 0 0 186.320 2.887 10 0 AFAERN CC1(C)C[C@@]2(C)C[C@]1(C)CC2=O 238246168 574008619 /nfs/dbraw/zinc/00/86/19/574008619.db2.gz GYTRMYDIMKONLP-QWRGUYRKSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1c(Cl)cc(F)c2c1C(=O)CC2 104509467 574018550 /nfs/dbraw/zinc/01/85/50/574018550.db2.gz KVMUFWUZVKVJLV-UHFFFAOYSA-N 0 0 198.624 2.916 10 0 AFAERN C=Cc1nc([C@@H]2CCCCS2)no1 87699596 574018567 /nfs/dbraw/zinc/01/85/67/574018567.db2.gz JNZCLJKNAYIDGB-ZETCQYMHSA-N 0 0 196.275 2.671 10 0 AFAERN NC(=S)C1CCCCCCC1 87689961 574018649 /nfs/dbraw/zinc/01/86/49/574018649.db2.gz PFJFXVRONVWTNA-UHFFFAOYSA-N 0 0 171.309 2.633 10 0 AFAERN C[C@@H]1CC[C@@]2(OCc3ccccc32)O1 104506304 574018658 /nfs/dbraw/zinc/01/86/58/574018658.db2.gz PSWKAIVAJLBBEX-BXKDBHETSA-N 0 0 190.242 2.569 10 0 AFAERN O=C(CC1CCC1)[C@@H]1CCCS1 87701080 574018659 /nfs/dbraw/zinc/01/86/59/574018659.db2.gz SGMWVPJJEIRCQA-JTQLQIEISA-N 0 0 184.304 2.641 10 0 AFAERN Cc1cc([C@@H](N)C(F)(F)F)cs1 104507862 574018763 /nfs/dbraw/zinc/01/87/63/574018763.db2.gz QLWHXCVLEAEQES-ZCFIWIBFSA-N 0 0 195.209 2.619 10 0 AFAERN C[C@H]1CC[C@]2(OCc3ccccc32)O1 104506318 574018926 /nfs/dbraw/zinc/01/89/26/574018926.db2.gz PSWKAIVAJLBBEX-CABZTGNLSA-N 0 0 190.242 2.569 10 0 AFAERN O=Cc1csc([C@@H]2CCCS2)n1 87700578 574018956 /nfs/dbraw/zinc/01/89/56/574018956.db2.gz HRABEDYTDXDQFB-ZETCQYMHSA-N 0 0 199.300 2.524 10 0 AFAERN O[C@H](c1ccccc1)[C@H]1CCCS1 87702151 574018998 /nfs/dbraw/zinc/01/89/98/574018998.db2.gz BRUHFRBAEGXQBI-GHMZBOCLSA-N 0 0 194.299 2.616 10 0 AFAERN CCc1cc(CC)c2c(c1)CCC2=O 104508740 574019069 /nfs/dbraw/zinc/01/90/69/574019069.db2.gz JQHOWAXZCSYWMD-UHFFFAOYSA-N 0 0 188.270 2.940 10 0 AFAERN O[C@@H](c1ccccc1)[C@H]1CCCS1 87702150 574019116 /nfs/dbraw/zinc/01/91/16/574019116.db2.gz BRUHFRBAEGXQBI-MNOVXSKESA-N 0 0 194.299 2.616 10 0 AFAERN C=Cc1nc([C@H]2CCCCS2)no1 87699598 574019146 /nfs/dbraw/zinc/01/91/46/574019146.db2.gz JNZCLJKNAYIDGB-SSDOTTSWSA-N 0 0 196.275 2.671 10 0 AFAERN CC(C)C[C@@H](O)[C@H]1CCCCS1 87703961 574020389 /nfs/dbraw/zinc/02/03/89/574020389.db2.gz MOVRDVTZVNGMKI-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN CCC1([C@@H]2[NH2+]CCCS2)CCC1 686130339 574020506 /nfs/dbraw/zinc/02/05/06/574020506.db2.gz RMEFJJVNISGTOO-SECBINFHSA-N 0 0 185.336 2.619 10 0 AFAERN CCC1([C@H]2[NH2+]CCCS2)CCC1 686130340 574020514 /nfs/dbraw/zinc/02/05/14/574020514.db2.gz RMEFJJVNISGTOO-VIFPVBQESA-N 0 0 185.336 2.619 10 0 AFAERN O=Cc1cnc([C@H]2CCCS2)s1 87714822 574020594 /nfs/dbraw/zinc/02/05/94/574020594.db2.gz KLUFLDGPUFGOJJ-SSDOTTSWSA-N 0 0 199.300 2.524 10 0 AFAERN CC(=O)CCc1ccc(C(C)C)cn1 259276459 574020616 /nfs/dbraw/zinc/02/06/16/574020616.db2.gz MCCBQXXMGLHJAO-UHFFFAOYSA-N 0 0 191.274 2.727 10 0 AFAERN CC(C)=C[C@@H](O)C12CCC(CC1)C2 642839056 574020643 /nfs/dbraw/zinc/02/06/43/574020643.db2.gz RUGCEVNTZCITTP-MOENNCHZSA-N 0 0 180.291 2.894 10 0 AFAERN CC(C)(C)[C@@H](O)[C@@H]1CCCCS1 87703768 574020674 /nfs/dbraw/zinc/02/06/74/574020674.db2.gz SXOZMTJETBKRIV-IUCAKERBSA-N 0 0 188.336 2.679 10 0 AFAERN O=C1CCc2cc(C(F)F)ccc21 104505330 574020720 /nfs/dbraw/zinc/02/07/20/574020720.db2.gz WIGYBVMFAVMFQP-UHFFFAOYSA-N 0 0 182.169 2.753 10 0 AFAERN O[C@@H](c1ccoc1)[C@@H]1CCCCS1 87704700 574020723 /nfs/dbraw/zinc/02/07/23/574020723.db2.gz IFDKMWYVKWZUTQ-UWVGGRQHSA-N 0 0 198.287 2.599 10 0 AFAERN COc1ccc(C)cc1SO 259275279 574020940 /nfs/dbraw/zinc/02/09/40/574020940.db2.gz RIBGWONRTADNHN-UHFFFAOYSA-N 0 0 170.233 2.569 10 0 AFAERN O[C@@H](c1ccco1)[C@H]1CCCCS1 87704582 574020946 /nfs/dbraw/zinc/02/09/46/574020946.db2.gz CZUVMYAKQGJANA-ZJUUUORDSA-N 0 0 198.287 2.599 10 0 AFAERN CN[C@]1(C(F)(F)F)CCC[C@@H](C)C1 85276343 574024137 /nfs/dbraw/zinc/02/41/37/574024137.db2.gz VILBAVSUBGWRQJ-HTQZYQBOSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@H](C)[C@@H](C)Nc1cccc(N)[nH+]1 87726104 574023526 /nfs/dbraw/zinc/02/35/26/574023526.db2.gz IJVWODNFIXLMNU-DTWKUNHWSA-N 0 0 193.294 2.510 10 0 AFAERN C/C=C/[C@@H](O)CCC=C(C)C 223750733 574023551 /nfs/dbraw/zinc/02/35/51/574023551.db2.gz VESJQOWVYPNZRO-DFVUYQKZSA-N 0 0 154.253 2.670 10 0 AFAERN Cc1ccc(C2(O)CC(C)C2)cc1F 223754041 574023557 /nfs/dbraw/zinc/02/35/57/574023557.db2.gz WZBNPDYDKNDVCB-UHFFFAOYSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1ccccc1-c1onc(N)c1C 85278175 574023663 /nfs/dbraw/zinc/02/36/63/574023663.db2.gz DNRWJWYRUZPWDU-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CN[C@]1(C(F)(F)F)CCC[C@H](C)C1 85276345 574023693 /nfs/dbraw/zinc/02/36/93/574023693.db2.gz VILBAVSUBGWRQJ-JGVFFNPUSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@@H](Nc1cccc(N)[nH+]1)C(C)C 87726115 574023704 /nfs/dbraw/zinc/02/37/04/574023704.db2.gz CVANMSCEXVJFJN-SECBINFHSA-N 0 0 193.294 2.510 10 0 AFAERN CN[C@@]1(C(F)(F)F)CCCC[C@H]1C 85276296 574023731 /nfs/dbraw/zinc/02/37/31/574023731.db2.gz KCLLORJGGPITEU-SFYZADRCSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@H](C)[C@H](C)Nc1cccc(N)[nH+]1 87726107 574023754 /nfs/dbraw/zinc/02/37/54/574023754.db2.gz IJVWODNFIXLMNU-IUCAKERBSA-N 0 0 193.294 2.510 10 0 AFAERN CCC(CC)C[C@H](O)C[C@@H](C)OC 128165403 574023854 /nfs/dbraw/zinc/02/38/54/574023854.db2.gz XBDBTXFBIRHOLX-MWLCHTKSSA-N 0 0 188.311 2.599 10 0 AFAERN CCC(=O)OCCCC(C)(C)C 223909195 574023938 /nfs/dbraw/zinc/02/39/38/574023938.db2.gz BCZJCKXXGDYILA-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN CCC(CC)(CO)CCSC 131801918 574023943 /nfs/dbraw/zinc/02/39/43/574023943.db2.gz ZHIBWZMESSWQTL-UHFFFAOYSA-N 0 0 176.325 2.538 10 0 AFAERN Cc1cccc(-c2onc(N)c2C)c1 85278133 574024010 /nfs/dbraw/zinc/02/40/10/574024010.db2.gz NNSSZYMAQBZEML-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cc(C)cc(-c2cc(N)no2)c1 85278444 574024043 /nfs/dbraw/zinc/02/40/43/574024043.db2.gz LFLBDQHIWVYSHJ-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C[C@@H]1C[C@]1(O)c1sccc1Cl 87722731 574024058 /nfs/dbraw/zinc/02/40/58/574024058.db2.gz JPPBOMAZIHVVOI-SVGQVSJJSA-N 0 0 188.679 2.629 10 0 AFAERN Clc1cc(C2CCCC2)no1 87724023 574024066 /nfs/dbraw/zinc/02/40/66/574024066.db2.gz AXLNHJPOGWAEDQ-UHFFFAOYSA-N 0 0 171.627 2.986 10 0 AFAERN CSc1ccc(F)c([C@H](C)O)c1 259278008 574024097 /nfs/dbraw/zinc/02/40/97/574024097.db2.gz BIIUFMJJXFMRRI-LURJTMIESA-N 0 0 186.251 2.601 10 0 AFAERN CCc1ccc([C@H]2N[C@@H](C)CS2)o1 85309607 574032529 /nfs/dbraw/zinc/03/25/29/574032529.db2.gz BLEAMWOXCUQMIM-XVKPBYJWSA-N 0 0 197.303 2.566 10 0 AFAERN CC1=CCC[C@@]2(CCCC2=O)C1 143778372 574032553 /nfs/dbraw/zinc/03/25/53/574032553.db2.gz ODYDYZPNNREXQF-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN O[C@H]1c2ccccc2CC[C@H]1CCF 87776998 574032677 /nfs/dbraw/zinc/03/26/77/574032677.db2.gz HVKIIIXIGFNGGW-CMPLNLGQSA-N 0 0 194.249 2.642 10 0 AFAERN C/C=C(\CO)CCCCC 143703120 574032692 /nfs/dbraw/zinc/03/26/92/574032692.db2.gz FLTMVJKGMOWNIE-WTKPLQERSA-N 0 0 142.242 2.505 10 0 AFAERN CCC(=O)[C@H]1C[C@@H]1c1ccccc1 143765023 574032744 /nfs/dbraw/zinc/03/27/44/574032744.db2.gz IFSXBKOWZFCQOQ-MNOVXSKESA-N 0 0 174.243 2.769 10 0 AFAERN Cc1cc(NC(=O)OC(C)(C)C)c[nH]1 143759466 574032780 /nfs/dbraw/zinc/03/27/80/574032780.db2.gz ZXKRBOSXWZFUKR-UHFFFAOYSA-N 0 0 196.250 2.670 10 0 AFAERN O[C@@H]1c2ccccc2CC[C@H]1CCF 87776996 574032796 /nfs/dbraw/zinc/03/27/96/574032796.db2.gz HVKIIIXIGFNGGW-JQWIXIFHSA-N 0 0 194.249 2.642 10 0 AFAERN C[C@H](O)CCc1coc2ccccc12 87780907 574032833 /nfs/dbraw/zinc/03/28/33/574032833.db2.gz TWVYPXROQOIAFV-VIFPVBQESA-N 0 0 190.242 2.746 10 0 AFAERN Cc1cccc([C@H]2NCCCS2)c1 85314814 574032847 /nfs/dbraw/zinc/03/28/47/574032847.db2.gz XJLRJJJYWJIPFB-NSHDSACASA-N 0 0 193.315 2.720 10 0 AFAERN CCC(=O)[C@@H]1C[C@H]1c1ccccc1 143766512 574032875 /nfs/dbraw/zinc/03/28/75/574032875.db2.gz IFSXBKOWZFCQOQ-WDEREUQCSA-N 0 0 174.243 2.769 10 0 AFAERN CC[C@@H]1CC[C@H](O)[C@H](CCF)C1 87777007 574032911 /nfs/dbraw/zinc/03/29/11/574032911.db2.gz FFMIGQATIPVKPO-BBBLOLIVSA-N 0 0 174.259 2.533 10 0 AFAERN CCc1ccc(C=O)c(C)c1C 143812211 574032912 /nfs/dbraw/zinc/03/29/12/574032912.db2.gz YWORDBKETCSPRO-UHFFFAOYSA-N 0 0 162.232 2.678 10 0 AFAERN CCCc1c(C)cccc1C=O 143831841 574032937 /nfs/dbraw/zinc/03/29/37/574032937.db2.gz CQRBWUJIUZRAOJ-UHFFFAOYSA-N 0 0 162.232 2.760 10 0 AFAERN CCC(C)(C)c1ccc(N)c(N)c1 143732733 574032985 /nfs/dbraw/zinc/03/29/85/574032985.db2.gz LPVGTTTYAQYYNS-UHFFFAOYSA-N 0 0 178.279 2.539 10 0 AFAERN FCCn1ccc2cc(F)ccc21 87777381 574033115 /nfs/dbraw/zinc/03/31/15/574033115.db2.gz YYNODOINBDDVNK-UHFFFAOYSA-N 0 0 181.185 2.750 10 0 AFAERN Clc1ccc2c(c1)C=C2 143753739 574033156 /nfs/dbraw/zinc/03/31/56/574033156.db2.gz UZDWSQWDXANDCM-UHFFFAOYSA-N 0 0 136.581 2.824 10 0 AFAERN Cc1ccsc1[C@@H]1NCCCS1 85314787 574033168 /nfs/dbraw/zinc/03/31/68/574033168.db2.gz WKKQHJUDUMYUDD-SECBINFHSA-N 0 0 199.344 2.782 10 0 AFAERN CC(C)[C@@H]1CC[C@@H](O)[C@H](CCF)C1 87777027 574033247 /nfs/dbraw/zinc/03/32/47/574033247.db2.gz CWMNUKGIPUBVDJ-GMTAPVOTSA-N 0 0 188.286 2.779 10 0 AFAERN Cc1ccc([C@@H]2NCCCS2)s1 85314679 574033315 /nfs/dbraw/zinc/03/33/15/574033315.db2.gz RXWOSFXTYKESTR-SECBINFHSA-N 0 0 199.344 2.782 10 0 AFAERN O[C@@H]1c2ccccc2CC[C@@H]1CCF 87776995 574033375 /nfs/dbraw/zinc/03/33/75/574033375.db2.gz HVKIIIXIGFNGGW-PWSUYJOCSA-N 0 0 194.249 2.642 10 0 AFAERN C[C@]1(CCO)CCc2ccccc2C1 143841948 574033382 /nfs/dbraw/zinc/03/33/82/574033382.db2.gz YEFURWFWQOMYRL-CYBMUJFWSA-N 0 0 190.286 2.564 10 0 AFAERN CC1=CC=C[C@]2(C)CC(=O)CC[C@H]12 143770975 574033388 /nfs/dbraw/zinc/03/33/88/574033388.db2.gz BDGWXWFZAUBBEA-VXGBXAGGSA-N 0 0 176.259 2.878 10 0 AFAERN CC=C=C[C@@H](O)C1CCCCC1 143727106 574033502 /nfs/dbraw/zinc/03/35/02/574033502.db2.gz XHTGGFIPOCFFDZ-UQQBYHSWSA-N 0 0 166.264 2.659 10 0 AFAERN CC1=CCC[C@]2(CCCC2=O)C1 143778589 574033567 /nfs/dbraw/zinc/03/35/67/574033567.db2.gz ODYDYZPNNREXQF-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN C(=C/c1cccs1)\c1ncc[nH]1 143786390 574033642 /nfs/dbraw/zinc/03/36/42/574033642.db2.gz WDRCMYCTQDSCGR-ONEGZZNKSA-N 0 0 176.244 2.642 10 0 AFAERN CC(C)[C@@H]1CC[C@H](O)[C@H](CCF)C1 87777025 574033644 /nfs/dbraw/zinc/03/36/44/574033644.db2.gz CWMNUKGIPUBVDJ-MXWKQRLJSA-N 0 0 188.286 2.779 10 0 AFAERN FCCn1ccc2ccccc21 87777375 574033647 /nfs/dbraw/zinc/03/36/47/574033647.db2.gz BHKHNAXLUSBZGK-UHFFFAOYSA-N 0 0 163.195 2.611 10 0 AFAERN S=c1[nH]c2[nH]c3ccccc3c2[nH]1 143832657 574033654 /nfs/dbraw/zinc/03/36/54/574033654.db2.gz WQHRUCNDDQNOHQ-UHFFFAOYSA-N 0 0 189.243 2.707 10 0 AFAERN CCc1ccc([C@H]2NCCCS2)o1 85314694 574033669 /nfs/dbraw/zinc/03/36/69/574033669.db2.gz NZZLZUHRNQNMNP-JTQLQIEISA-N 0 0 197.303 2.567 10 0 AFAERN CCN(CC)c1ccc(Cl)cn1 85316309 574033679 /nfs/dbraw/zinc/03/36/79/574033679.db2.gz NIMJTFIDNZXVIB-UHFFFAOYSA-N 0 0 184.670 2.581 10 0 AFAERN Cc1ccc(OCCF)c(C)c1 87777448 574033705 /nfs/dbraw/zinc/03/37/05/574033705.db2.gz JJJZVMXSOQYIAZ-UHFFFAOYSA-N 0 0 168.211 2.652 10 0 AFAERN Fc1cccc([C@H]2NCCCS2)c1 85314674 574033706 /nfs/dbraw/zinc/03/37/06/574033706.db2.gz SXCZKHHOZRKYSL-JTQLQIEISA-N 0 0 197.278 2.551 10 0 AFAERN Cc1nc(C)c(CC(C)C)s1 143801257 574033720 /nfs/dbraw/zinc/03/37/20/574033720.db2.gz FCXVEXMWBBRSEQ-UHFFFAOYSA-N 0 0 169.293 2.958 10 0 AFAERN CCc1ccc([C@@H]2NCCCS2)o1 85314693 574033776 /nfs/dbraw/zinc/03/37/76/574033776.db2.gz NZZLZUHRNQNMNP-SNVBAGLBSA-N 0 0 197.303 2.567 10 0 AFAERN Cc1cc2ccccc2n1CCF 87777376 574033795 /nfs/dbraw/zinc/03/37/95/574033795.db2.gz GFVQURSEWAPDLC-UHFFFAOYSA-N 0 0 177.222 2.919 10 0 AFAERN CC(C)(C)c1ccccc1CCO 143749821 574033822 /nfs/dbraw/zinc/03/38/22/574033822.db2.gz MVNUCOAGKGKCCF-UHFFFAOYSA-N 0 0 178.275 2.519 10 0 AFAERN CCC(=O)[C@@H]1C[C@@H]1c1ccccc1 143764800 574033845 /nfs/dbraw/zinc/03/38/45/574033845.db2.gz IFSXBKOWZFCQOQ-GHMZBOCLSA-N 0 0 174.243 2.769 10 0 AFAERN COc1ccc(N)c(-c2ccco2)c1 143840082 574033870 /nfs/dbraw/zinc/03/38/70/574033870.db2.gz VKWYIEAYMZJMNU-UHFFFAOYSA-N 0 0 189.214 2.537 10 0 AFAERN CCC[C@H](C)C[C@@H](O)C[C@@H](C)OC 128175928 574033957 /nfs/dbraw/zinc/03/39/57/574033957.db2.gz CNZMROUOGRUGGU-HBNTYKKESA-N 0 0 188.311 2.599 10 0 AFAERN Cc1cc(C)cc(OCCF)c1 87777449 574034036 /nfs/dbraw/zinc/03/40/36/574034036.db2.gz OHSHPMVMWKGEOF-UHFFFAOYSA-N 0 0 168.211 2.652 10 0 AFAERN Fc1ccccc1[C@@H]1NCCCS1 85314785 574034068 /nfs/dbraw/zinc/03/40/68/574034068.db2.gz RNTNSFMSTXBWII-SNVBAGLBSA-N 0 0 197.278 2.551 10 0 AFAERN Fc1cccc([C@@H]2NCCCS2)c1 85314673 574034072 /nfs/dbraw/zinc/03/40/72/574034072.db2.gz SXCZKHHOZRKYSL-SNVBAGLBSA-N 0 0 197.278 2.551 10 0 AFAERN Cc1ccc([C@H]2NCCCS2)s1 85314680 574034204 /nfs/dbraw/zinc/03/42/04/574034204.db2.gz RXWOSFXTYKESTR-VIFPVBQESA-N 0 0 199.344 2.782 10 0 AFAERN Cc1cccc([C@@H]2NCCCS2)c1 85314813 574034250 /nfs/dbraw/zinc/03/42/50/574034250.db2.gz XJLRJJJYWJIPFB-LLVKDONJSA-N 0 0 193.315 2.720 10 0 AFAERN Fc1ccccc1[C@H]1NCCCS1 85314786 574034352 /nfs/dbraw/zinc/03/43/52/574034352.db2.gz RNTNSFMSTXBWII-JTQLQIEISA-N 0 0 197.278 2.551 10 0 AFAERN Cc1ccsc1[C@H]1NCCCS1 85314788 574034433 /nfs/dbraw/zinc/03/44/33/574034433.db2.gz WKKQHJUDUMYUDD-VIFPVBQESA-N 0 0 199.344 2.782 10 0 AFAERN CCC[C@H](C)C[C@H](O)C[C@@H](C)OC 128175493 574034470 /nfs/dbraw/zinc/03/44/70/574034470.db2.gz CNZMROUOGRUGGU-AXFHLTTASA-N 0 0 188.311 2.599 10 0 AFAERN Cc1ccc([C@H]2N[C@H](C)CCS2)o1 85318849 574034685 /nfs/dbraw/zinc/03/46/85/574034685.db2.gz LPJWCZMIILUAIZ-XCBNKYQSSA-N 0 0 197.303 2.702 10 0 AFAERN C[C@](O)(C1=CCCCC1)c1ccoc1 197919302 574034778 /nfs/dbraw/zinc/03/47/78/574034778.db2.gz LEIOMBWMMPSFAD-LBPRGKRZSA-N 0 0 192.258 2.988 10 0 AFAERN C[C@H]1CN[C@@H](c2cccs2)SC1 85337153 574039225 /nfs/dbraw/zinc/03/92/25/574039225.db2.gz XXKSHBJOZFMBQF-IONNQARKSA-N 0 0 199.344 2.719 10 0 AFAERN O=Cc1ccsc1-c1cccnc1 197931788 574039565 /nfs/dbraw/zinc/03/95/65/574039565.db2.gz VZGGRIBAFMHHFP-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN Cc1ccc([C@@H]2NCC[C@H](C)S2)o1 85342649 574039872 /nfs/dbraw/zinc/03/98/72/574039872.db2.gz XSAVKVDXXXLNMJ-WCBMZHEXSA-N 0 0 197.303 2.702 10 0 AFAERN [NH3+][C@H](C[C@@H]1CC[C@H]2C[C@@H]12)c1ccoc1 716992860 574044040 /nfs/dbraw/zinc/04/40/40/574044040.db2.gz PKJMTPSUEXJZKF-GAIPPQHRSA-N 0 0 191.274 2.716 10 0 AFAERN CC/C=C/C[C@@H]1C(=O)CC[C@@H]1C 113017431 574044275 /nfs/dbraw/zinc/04/42/75/574044275.db2.gz QQLJHNUFLMPPGC-AWAZDUCLSA-N 0 0 166.264 2.958 10 0 AFAERN CCc1cc(O)c(CC)cc1C 112991433 574044447 /nfs/dbraw/zinc/04/44/47/574044447.db2.gz BPEICCYWDWKGRR-UHFFFAOYSA-N 0 0 164.248 2.825 10 0 AFAERN Cc1cccc(Oc2cnn(C)c2)c1 258525415 574044521 /nfs/dbraw/zinc/04/45/21/574044521.db2.gz NKTCYTBVNJMPQQ-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN c1c[nH]c2cc3ccccc3c-2c1 112999501 574044538 /nfs/dbraw/zinc/04/45/38/574044538.db2.gz PFWJFKBTIBAASX-UHFFFAOYSA-N 0 0 167.211 2.653 10 0 AFAERN CCC1(CC)CCC(O)CC1 112987551 574045100 /nfs/dbraw/zinc/04/51/00/574045100.db2.gz MWHLORMGUXPWLW-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@H](C)CC(=O)N[C@H](C)C(C)C 308290688 491093289 /nfs/dbraw/zinc/09/32/89/491093289.db2.gz GUWKUPPDZSRNMF-VHSXEESVSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)c1cc(OC2CC2)cnc1F 95723206 517485286 /nfs/dbraw/zinc/48/52/86/517485286.db2.gz HYZXCIKRCBOOAB-UHFFFAOYSA-N 0 0 195.237 2.885 10 0 AFAERN CCCCc1ccc(NO)cc1 39133565 517574577 /nfs/dbraw/zinc/57/45/77/517574577.db2.gz GGAKJFNEFRZJNQ-UHFFFAOYSA-N 0 0 165.236 2.830 10 0 AFAERN CCCOc1cncc(NC(C)C)c1 529650863 517592542 /nfs/dbraw/zinc/59/25/42/517592542.db2.gz INDFLGYVOVETJG-UHFFFAOYSA-N 0 0 194.278 2.691 10 0 AFAERN Cc1cc(N)c(C)c2c1OC(C)(C)C2 13652066 518187523 /nfs/dbraw/zinc/18/75/23/518187523.db2.gz ZVZAFOOPBGUQIH-UHFFFAOYSA-N 0 0 191.274 2.599 10 0 AFAERN CC(=O)c1csc(-c2ccoc2)n1 70848749 518484029 /nfs/dbraw/zinc/48/40/29/518484029.db2.gz YDNBOUQIMQPLTM-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CC(=O)c1sc(C2CCC2)nc1C 83123370 518495776 /nfs/dbraw/zinc/49/57/76/518495776.db2.gz OLUSTMPTDLXJKS-UHFFFAOYSA-N 0 0 195.287 2.922 10 0 AFAERN c1c(C2CC2)noc1[C@@H]1CCCCO1 901397460 630747692 /nfs/dbraw/zinc/74/76/92/630747692.db2.gz YNQRLUJFKCHTCF-JTQLQIEISA-N 0 0 193.246 2.794 10 0 AFAERN CC[C@@H]1CNc2cc(F)c(F)cc2O1 669379746 538444936 /nfs/dbraw/zinc/44/49/36/538444936.db2.gz BAROZLBZOAVWRR-ZCFIWIBFSA-N 0 0 199.200 2.548 10 0 AFAERN CCCCc1cc(C)nc(F)c1 669378336 538444937 /nfs/dbraw/zinc/44/49/37/538444937.db2.gz ALTWGIWXRWLHOS-UHFFFAOYSA-N 0 0 167.227 2.872 10 0 AFAERN CC[C@@H](C)COc1ccc(C=O)o1 675057627 538449146 /nfs/dbraw/zinc/44/91/46/538449146.db2.gz GDXKLNGJXRHKOZ-MRVPVSSYSA-N 0 0 182.219 2.517 10 0 AFAERN CC(C)N1CCCc2ccc(O)cc21 71451803 519678575 /nfs/dbraw/zinc/67/85/75/519678575.db2.gz JOAUCFNGQSCWFR-UHFFFAOYSA-N 0 0 191.274 2.553 10 0 AFAERN CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 138812217 519682271 /nfs/dbraw/zinc/68/22/71/519682271.db2.gz UVZUXFUXIMXYEJ-JTQLQIEISA-N 0 0 191.274 2.501 10 0 AFAERN CC(C)N1C[C@@H](C)Nc2ccccc21 76927172 519691269 /nfs/dbraw/zinc/69/12/69/519691269.db2.gz SJPAUHIUDSDHPO-SNVBAGLBSA-N 0 0 190.290 2.715 10 0 AFAERN CC(C)N1C[C@H](C)Nc2ccccc21 76927173 519695086 /nfs/dbraw/zinc/69/50/86/519695086.db2.gz SJPAUHIUDSDHPO-JTQLQIEISA-N 0 0 190.290 2.715 10 0 AFAERN CC(C)[C@@H]1CN(C)c2ccccc2N1 76930634 519804268 /nfs/dbraw/zinc/80/42/68/519804268.db2.gz DHGDJUXBNWGAHE-NSHDSACASA-N 0 0 190.290 2.573 10 0 AFAERN CC(C)[C@@H]1CNc2ccccc2N1C 76634728 519804931 /nfs/dbraw/zinc/80/49/31/519804931.db2.gz WPWIRQKHEPJHDB-LBPRGKRZSA-N 0 0 190.290 2.573 10 0 AFAERN CC(C)[C@H]1CN(C)c2ccccc2N1 76930635 519826543 /nfs/dbraw/zinc/82/65/43/519826543.db2.gz DHGDJUXBNWGAHE-LLVKDONJSA-N 0 0 190.290 2.573 10 0 AFAERN CC(C)[C@H]1CNc2ccccc2N1C 76634729 519827050 /nfs/dbraw/zinc/82/70/50/519827050.db2.gz WPWIRQKHEPJHDB-GFCCVEGCSA-N 0 0 190.290 2.573 10 0 AFAERN CC(C)c1ccc2c(c1)N(C)CCO2 62521132 519840546 /nfs/dbraw/zinc/84/05/46/519840546.db2.gz RDHUIDZJEGJQPG-UHFFFAOYSA-N 0 0 191.274 2.639 10 0 AFAERN CC(C)c1cccc2c1OCCN2C 62521201 519843936 /nfs/dbraw/zinc/84/39/36/519843936.db2.gz HANQHROMJIEXNN-UHFFFAOYSA-N 0 0 191.274 2.639 10 0 AFAERN CCCN1CCCc2ccc(O)cc21 71451700 519854948 /nfs/dbraw/zinc/85/49/48/519854948.db2.gz POONRJLKTMKRSM-UHFFFAOYSA-N 0 0 191.274 2.555 10 0 AFAERN CCCN1CCNc2cc(C)ccc21 76926678 519861097 /nfs/dbraw/zinc/86/10/97/519861097.db2.gz KTQJTAOZNPJJTC-UHFFFAOYSA-N 0 0 190.290 2.637 10 0 AFAERN CCCN1CCNc2ccc(C)cc21 76969777 519861224 /nfs/dbraw/zinc/86/12/24/519861224.db2.gz YYVNUQIKWBDTOD-UHFFFAOYSA-N 0 0 190.290 2.637 10 0 AFAERN CCCC(=O)N1CCCCC[C@@H]1C 78739651 519863765 /nfs/dbraw/zinc/86/37/65/519863765.db2.gz RVALTDUWDWOTGD-JTQLQIEISA-N 0 0 183.295 2.578 10 0 AFAERN CCCC(=O)N1CCCCC[C@H]1CC 157237871 519863827 /nfs/dbraw/zinc/86/38/27/519863827.db2.gz HLVNODROWBCKPX-LLVKDONJSA-N 0 0 197.322 2.968 10 0 AFAERN CCCC(=O)N1CCCCC[C@H]1C 78739654 519863939 /nfs/dbraw/zinc/86/39/39/519863939.db2.gz RVALTDUWDWOTGD-SNVBAGLBSA-N 0 0 183.295 2.578 10 0 AFAERN CCCN1C[C@@H](C)Nc2ccccc21 76927161 519864246 /nfs/dbraw/zinc/86/42/46/519864246.db2.gz QOQVOXJZRVUNBV-SNVBAGLBSA-N 0 0 190.290 2.717 10 0 AFAERN CCCN1C[C@H](C)Nc2ccccc21 76927160 519864802 /nfs/dbraw/zinc/86/48/02/519864802.db2.gz QOQVOXJZRVUNBV-JTQLQIEISA-N 0 0 190.290 2.717 10 0 AFAERN CC(C)c1nc2ccnc(Cl)c2[nH]1 77978867 519869931 /nfs/dbraw/zinc/86/99/31/519869931.db2.gz UECUAJQBCNNSTE-UHFFFAOYSA-N 0 0 195.653 2.735 10 0 AFAERN CC/C=C\Cc1ccncc1 39054500 520204214 /nfs/dbraw/zinc/20/42/14/520204214.db2.gz GGWRCNPWNQGLLZ-ARJAWSKDSA-N 0 0 147.221 2.590 10 0 AFAERN CCNc1ccc2c(c1)N(C)CCC2 71451603 520332105 /nfs/dbraw/zinc/33/21/05/520332105.db2.gz NGBBIABSWQQPMT-UHFFFAOYSA-N 0 0 190.290 2.501 10 0 AFAERN CCNc1ccc2c(c1)CCCN2C 82710772 520332215 /nfs/dbraw/zinc/33/22/15/520332215.db2.gz LMLYYTIXHCNYPX-UHFFFAOYSA-N 0 0 190.290 2.501 10 0 AFAERN CCNc1ncc(C(C)C)s1 156827894 520369766 /nfs/dbraw/zinc/36/97/66/520369766.db2.gz DOWGKVCYERKVCH-UHFFFAOYSA-N 0 0 170.281 2.698 10 0 AFAERN CCCOc1cnccc1Cl 238266308 520487069 /nfs/dbraw/zinc/48/70/69/520487069.db2.gz BHBWWKRWAKKAMJ-UHFFFAOYSA-N 0 0 171.627 2.524 10 0 AFAERN CSCCSCC1CCC1 306527533 629656388 /nfs/dbraw/zinc/65/63/88/629656388.db2.gz XXHKOIMWBUYSML-UHFFFAOYSA-N 0 0 176.350 2.883 10 0 AFAERN CC1(OC(=O)c2cccs2)CCC1 306546630 629657340 /nfs/dbraw/zinc/65/73/40/629657340.db2.gz FEDWJUUELKEWLM-UHFFFAOYSA-N 0 0 196.271 2.848 10 0 AFAERN C[C@H]1CCCCCN1c1nccs1 306631284 629665633 /nfs/dbraw/zinc/66/56/33/629665633.db2.gz NCVDAQKWRDTMPX-VIFPVBQESA-N 0 0 196.319 2.912 10 0 AFAERN c1sc(NCC2CC2)nc1C1CC1 306649205 629666568 /nfs/dbraw/zinc/66/65/68/629666568.db2.gz COSGEYALQAEZNY-UHFFFAOYSA-N 0 0 194.303 2.842 10 0 AFAERN FCCSC1=Nc2ccccc2C1 306636153 629666765 /nfs/dbraw/zinc/66/67/65/629666765.db2.gz AWEFTKKXOKSSFZ-UHFFFAOYSA-N 0 0 195.262 2.975 10 0 AFAERN C[C@@H]1CCCCCN1c1nccs1 306631282 629667005 /nfs/dbraw/zinc/66/70/05/629667005.db2.gz NCVDAQKWRDTMPX-SECBINFHSA-N 0 0 196.319 2.912 10 0 AFAERN CC(C)CSC1=N[C@@H](C)CS1 306702465 629669211 /nfs/dbraw/zinc/66/92/11/629669211.db2.gz AFBOLBJUKYVQDN-ZETCQYMHSA-N 0 0 189.349 2.867 10 0 AFAERN C[C@H]1C[C@@H](C)N1C/C(Cl)=C/Cl 306687488 629669264 /nfs/dbraw/zinc/66/92/64/629669264.db2.gz HPJHZFKNOMLAQR-POECCQMUSA-N 0 0 194.105 2.788 10 0 AFAERN CC(=O)OCC1(C)CCCCCC1 306691573 629670250 /nfs/dbraw/zinc/67/02/50/629670250.db2.gz NXZBGRJPYNPQHA-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN CC(C)CSC1=N[C@H](C)CS1 306702451 629671017 /nfs/dbraw/zinc/67/10/17/629671017.db2.gz AFBOLBJUKYVQDN-SSDOTTSWSA-N 0 0 189.349 2.867 10 0 AFAERN O=C(C=C1CCCC1)OC1CCC1 306757643 629673562 /nfs/dbraw/zinc/67/35/62/629673562.db2.gz NNVRQNBMETWCBX-UHFFFAOYSA-N 0 0 180.247 2.583 10 0 AFAERN CC1(COc2ccc(F)nc2)CCC1 306829080 629680392 /nfs/dbraw/zinc/68/03/92/629680392.db2.gz GTSXJGLQILCZPT-UHFFFAOYSA-N 0 0 195.237 2.790 10 0 AFAERN CC[C@H](C)Cn1c(Cl)cccc1=O 306923773 629683062 /nfs/dbraw/zinc/68/30/62/629683062.db2.gz GVSASBRQAPZGJH-QMMMGPOBSA-N 0 0 199.681 2.548 10 0 AFAERN CCC(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1 306238758 629687750 /nfs/dbraw/zinc/68/77/50/629687750.db2.gz PYKYLDLEYSJQGX-LPEHRKFASA-N 0 0 184.279 2.764 10 0 AFAERN CCC(=O)O[C@@H]1CC[C@@H](C)[C@H](C)C1 306238759 629688853 /nfs/dbraw/zinc/68/88/53/629688853.db2.gz PYKYLDLEYSJQGX-OPRDCNLKSA-N 0 0 184.279 2.764 10 0 AFAERN CCC(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 306238757 629690650 /nfs/dbraw/zinc/69/06/50/629690650.db2.gz PYKYLDLEYSJQGX-KXUCPTDWSA-N 0 0 184.279 2.764 10 0 AFAERN CC1(CNc2nncs2)CCCC1 69966961 520738571 /nfs/dbraw/zinc/73/85/71/520738571.db2.gz MSCFLOMZYHIDHQ-UHFFFAOYSA-N 0 0 197.307 2.530 10 0 AFAERN C/C=C/C=C\C(=O)OC1CCCC1 207487135 629693154 /nfs/dbraw/zinc/69/31/54/629693154.db2.gz FVDLZYSCTUKIRH-OQIXSKIXSA-N 0 0 180.247 2.605 10 0 AFAERN C=CC[C@H]1CC(=O)CC[C@H]1CC 224517339 629698845 /nfs/dbraw/zinc/69/88/45/629698845.db2.gz NDCHMCLJPCIXCA-ZJUUUORDSA-N 0 0 166.264 2.958 10 0 AFAERN C/C(=C\C(C)(C)C)C(=O)NC(C)C 306973156 629715490 /nfs/dbraw/zinc/71/54/90/629715490.db2.gz WVANBTIIGYKLEZ-VQHVLOKHSA-N 0 0 183.295 2.503 10 0 AFAERN Cc1cc(CC[C@@H](C)O)ccc1Cl 757155375 629716295 /nfs/dbraw/zinc/71/62/95/629716295.db2.gz AMQYMUIVHIRMHE-SECBINFHSA-N 0 0 198.693 2.962 10 0 AFAERN Cc1cc(CC[C@H](C)O)ccc1Cl 757155376 629717396 /nfs/dbraw/zinc/71/73/96/629717396.db2.gz AMQYMUIVHIRMHE-VIFPVBQESA-N 0 0 198.693 2.962 10 0 AFAERN CCOC(=O)/C=C(\C1CC1)C(C)(C)C 757188488 629721894 /nfs/dbraw/zinc/72/18/94/629721894.db2.gz BSDHOQBFDPNSJC-CSKARUKUSA-N 0 0 196.290 2.932 10 0 AFAERN CCC1(c2ccc(N)cc2)CC1 201855714 629724527 /nfs/dbraw/zinc/72/45/27/629724527.db2.gz UITQJRDFMPJPEV-UHFFFAOYSA-N 0 0 161.248 2.710 10 0 AFAERN CCOC(=O)/C=C(\C1CCC1)C1CC1 757188504 629724857 /nfs/dbraw/zinc/72/48/57/629724857.db2.gz CNCKQVQRLSFNIM-DHZHZOJOSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)CC(=O)N[C@@H]1CC=CC[C@H]1C 890772415 629725113 /nfs/dbraw/zinc/72/51/13/629725113.db2.gz VFNOAAYDZHHKFG-GHMZBOCLSA-N 0 0 195.306 2.503 10 0 AFAERN CCOC(=O)/C=C1\C[C@H](C)CC[C@H]1C 757193887 629726524 /nfs/dbraw/zinc/72/65/24/629726524.db2.gz WOBVCOSBJBEOFQ-DBUSQJFRSA-N 0 0 196.290 2.932 10 0 AFAERN COC(=O)/C=C(\C1CC1)C(C)(C)C 757192712 629726680 /nfs/dbraw/zinc/72/66/80/629726680.db2.gz QCGAHTGZQSTRMB-VQHVLOKHSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)/C=C1\C[C@@H](C)CC[C@H]1C 757193884 629726702 /nfs/dbraw/zinc/72/67/02/629726702.db2.gz WOBVCOSBJBEOFQ-BMNILSKHSA-N 0 0 196.290 2.932 10 0 AFAERN CCOC(=O)/C=C1\C[C@@H](C)CC[C@@H]1C 757193886 629726875 /nfs/dbraw/zinc/72/68/75/629726875.db2.gz WOBVCOSBJBEOFQ-CWIHFQEBSA-N 0 0 196.290 2.932 10 0 AFAERN COC(=O)C=C1C(C)(C)CC1(C)C 757193105 629726920 /nfs/dbraw/zinc/72/69/20/629726920.db2.gz YRAGDZODOANSGC-UHFFFAOYSA-N 0 0 182.263 2.542 10 0 AFAERN CCOC(=O)/C=C1\C[C@H](C)CC[C@@H]1C 757193892 629727055 /nfs/dbraw/zinc/72/70/55/629727055.db2.gz WOBVCOSBJBEOFQ-PCYIOHOOSA-N 0 0 196.290 2.932 10 0 AFAERN O=C(OCc1ccccc1)C1CCC1 141915980 629727094 /nfs/dbraw/zinc/72/70/94/629727094.db2.gz WQOMUTVXBSZYHM-UHFFFAOYSA-N 0 0 190.242 2.530 10 0 AFAERN CC1(C)CC(Nc2cccc(F)n2)C1 307036411 629735584 /nfs/dbraw/zinc/73/55/84/629735584.db2.gz XFNCTHDUFWEDDR-UHFFFAOYSA-N 0 0 194.253 2.821 10 0 AFAERN Cc1nc(SCCF)sc1C 307063609 629737598 /nfs/dbraw/zinc/73/75/98/629737598.db2.gz HFMVCYFUOUTKON-UHFFFAOYSA-N 0 0 191.296 2.822 10 0 AFAERN C[C@H]1C[C@H]1C(=O)OC1(C)CCCC1 307052460 629740486 /nfs/dbraw/zinc/74/04/86/629740486.db2.gz JXPBOQZIKKSPLO-DTWKUNHWSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@@H]1CC[C@H]1Nc1cccc(Cl)n1 307048158 629741455 /nfs/dbraw/zinc/74/14/55/629741455.db2.gz JGCYTONFQDJIKP-HTQZYQBOSA-N 0 0 196.681 2.945 10 0 AFAERN CC(=O)Oc1cc(C)ccc1Cl 32187833 629750515 /nfs/dbraw/zinc/75/05/15/629750515.db2.gz CDTJBDDSWJQXKP-UHFFFAOYSA-N 0 0 184.622 2.574 10 0 AFAERN CCCN(C)c1nc(C)ccc1Cl 307308620 629758494 /nfs/dbraw/zinc/75/84/94/629758494.db2.gz HSHSSKXHPRRLRC-UHFFFAOYSA-N 0 0 198.697 2.890 10 0 AFAERN CCOCSC[C@@H](C)CC 307352186 629760942 /nfs/dbraw/zinc/76/09/42/629760942.db2.gz BVNCSDQVBLDOIK-QMMMGPOBSA-N 0 0 162.298 2.760 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](C)Nc1ccc(F)nc1 307332827 629761088 /nfs/dbraw/zinc/76/10/88/629761088.db2.gz KXNYRCQNCZGVSI-NQMVMOMDSA-N 0 0 194.253 2.677 10 0 AFAERN C[C@H](Nc1ccc(F)nc1)[C@H]1C[C@H]1C 307332829 629761462 /nfs/dbraw/zinc/76/14/62/629761462.db2.gz KXNYRCQNCZGVSI-WEDXCCLWSA-N 0 0 194.253 2.677 10 0 AFAERN Cc1cscc1C(=O)OC1CCC1 307353736 629761485 /nfs/dbraw/zinc/76/14/85/629761485.db2.gz CWFKBKVJJDFSPV-UHFFFAOYSA-N 0 0 196.271 2.766 10 0 AFAERN Cc1scc(C(=O)OC2CC2)c1C 307368928 629763565 /nfs/dbraw/zinc/76/35/65/629763565.db2.gz NNVOYUOCRAMMBV-UHFFFAOYSA-N 0 0 196.271 2.684 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](C)Nc1ccc(F)nc1 307332825 629764109 /nfs/dbraw/zinc/76/41/09/629764109.db2.gz KXNYRCQNCZGVSI-MRTMQBJTSA-N 0 0 194.253 2.677 10 0 AFAERN CC1(COC(=O)C2CC2)CCCCC1 147747940 629765999 /nfs/dbraw/zinc/76/59/99/629765999.db2.gz KAOCBXNPFBWYTK-UHFFFAOYSA-N 0 0 196.290 2.910 10 0 AFAERN Cc1ccc(OCC2CC2)c(Cl)n1 307459402 629767520 /nfs/dbraw/zinc/76/75/20/629767520.db2.gz FGLQKSAWJZEIKT-UHFFFAOYSA-N 0 0 197.665 2.832 10 0 AFAERN CCOC(=O)/C=C(\C)[C@@H](C)CC 148013898 629768379 /nfs/dbraw/zinc/76/83/79/629768379.db2.gz BCPOGLPWDQKVCS-INTFFVIUSA-N 0 0 170.252 2.542 10 0 AFAERN CCOC(=O)/C=C(\C)[C@H](C)CC 148014128 629769229 /nfs/dbraw/zinc/76/92/29/629769229.db2.gz BCPOGLPWDQKVCS-KGOFQHAKSA-N 0 0 170.252 2.542 10 0 AFAERN C/C(=C\Cl)CS[C@H]1CCOC1 307458391 629769922 /nfs/dbraw/zinc/76/99/22/629769922.db2.gz AGVBCZQYBSMGDL-IPWDFOCMSA-N 0 0 192.711 2.651 10 0 AFAERN CCSCCSCC(F)F 307511050 629774731 /nfs/dbraw/zinc/77/47/31/629774731.db2.gz DCOBMTZNVYFYDJ-UHFFFAOYSA-N 0 0 186.292 2.738 10 0 AFAERN C=C[C@@H](CC)OC(=O)[C@@H]1CC=CCC1 148987803 629775189 /nfs/dbraw/zinc/77/51/89/629775189.db2.gz RPNAOFPVLOAQCF-MNOVXSKESA-N 0 0 194.274 2.851 10 0 AFAERN CCCSCc1ncc(C)o1 41364164 629775252 /nfs/dbraw/zinc/77/52/52/629775252.db2.gz BWLYWXGAEDNPKC-UHFFFAOYSA-N 0 0 171.265 2.626 10 0 AFAERN CC(C)CC(=O)O[C@H](C)C(C)C 149108898 629778670 /nfs/dbraw/zinc/77/86/70/629778670.db2.gz QHNMTYMWSUDOHH-SECBINFHSA-N 0 0 172.268 2.620 10 0 AFAERN O=C(O[C@@H]1C=CCC1)c1ccsc1 307524850 629779481 /nfs/dbraw/zinc/77/94/81/629779481.db2.gz IYQRMXKSMNLSIO-SECBINFHSA-N 0 0 194.255 2.624 10 0 AFAERN c1cc(C2CC2)cc(NCC2CC2)n1 307522479 629780368 /nfs/dbraw/zinc/78/03/68/629780368.db2.gz YGTWVHAHTIDFOF-UHFFFAOYSA-N 0 0 188.274 2.781 10 0 AFAERN O=C(O[C@H]1C=CCC1)c1ccsc1 307524853 629780765 /nfs/dbraw/zinc/78/07/65/629780765.db2.gz IYQRMXKSMNLSIO-VIFPVBQESA-N 0 0 194.255 2.624 10 0 AFAERN COCSc1ccc(F)c(F)c1 307555081 629780776 /nfs/dbraw/zinc/78/07/76/629780776.db2.gz SSYPREQRKWBOJK-UHFFFAOYSA-N 0 0 190.214 2.661 10 0 AFAERN CCC[C@H]1C=C[C@@](C)(O)CC1 149943396 629782381 /nfs/dbraw/zinc/78/23/81/629782381.db2.gz JHFOKSMPHAQIAN-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN CCC/C=C\COC(=O)C1=CCCC1 813909047 629783463 /nfs/dbraw/zinc/78/34/63/629783463.db2.gz KTJIIHRTMOHLAJ-DAXSKMNVSA-N 0 0 194.274 2.996 10 0 AFAERN CC(C)OC(=O)N1C[C@H](C)CC1(C)C 307596144 629783842 /nfs/dbraw/zinc/78/38/42/629783842.db2.gz LPYIAYBPAYQSBL-SECBINFHSA-N 0 0 199.294 2.652 10 0 AFAERN C[C@H]1CCCN1C(=O)OC1CCCC1 307592440 629785096 /nfs/dbraw/zinc/78/50/96/629785096.db2.gz DZYBETBXPUCHCP-VIFPVBQESA-N 0 0 197.278 2.550 10 0 AFAERN CCC/C=C/COC(=O)C1=CCCC1 813909048 629785318 /nfs/dbraw/zinc/78/53/18/629785318.db2.gz KTJIIHRTMOHLAJ-QPJJXVBHSA-N 0 0 194.274 2.996 10 0 AFAERN CC(C)OC(=O)N1C[C@@H](C)CC1(C)C 307596146 629785582 /nfs/dbraw/zinc/78/55/82/629785582.db2.gz LPYIAYBPAYQSBL-VIFPVBQESA-N 0 0 199.294 2.652 10 0 AFAERN CCc1nc([C@H]2C[C@@H]2C)cs1 307620227 629787977 /nfs/dbraw/zinc/78/79/77/629787977.db2.gz AUELRMPWHBKJGN-BQBZGAKWSA-N 0 0 167.277 2.829 10 0 AFAERN CCc1nc([C@H]2C[C@H]2C)cs1 307620233 629788270 /nfs/dbraw/zinc/78/82/70/629788270.db2.gz AUELRMPWHBKJGN-RQJHMYQMSA-N 0 0 167.277 2.829 10 0 AFAERN CCc1nc([C@@H]2C[C@@H]2C)cs1 307620229 629791219 /nfs/dbraw/zinc/79/12/19/629791219.db2.gz AUELRMPWHBKJGN-NKWVEPMBSA-N 0 0 167.277 2.829 10 0 AFAERN CCc1nc([C@@H]2C[C@H]2C)cs1 307620231 629792880 /nfs/dbraw/zinc/79/28/80/629792880.db2.gz AUELRMPWHBKJGN-RNFRBKRXSA-N 0 0 167.277 2.829 10 0 AFAERN CCC[C@H](CC)OC(=O)CC 150213055 629792959 /nfs/dbraw/zinc/79/29/59/629792959.db2.gz GYZCKXAOGZSSCT-QMMMGPOBSA-N 0 0 158.241 2.518 10 0 AFAERN C[C@H]1CCC[C@H](C(=O)OC2CC2)C1 307676320 629799396 /nfs/dbraw/zinc/79/93/96/629799396.db2.gz HASXNZMXWBYSRK-IUCAKERBSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@H]1CCC[C@@H](C(=O)OC2CC2)C1 307676318 629799519 /nfs/dbraw/zinc/79/95/19/629799519.db2.gz HASXNZMXWBYSRK-DTWKUNHWSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@@H]1CCC[C@@H](C(=O)OC2CC2)C1 307676322 629801711 /nfs/dbraw/zinc/80/17/11/629801711.db2.gz HASXNZMXWBYSRK-RKDXNWHRSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@@H]1CSC(SCCCF)=N1 307640896 629802010 /nfs/dbraw/zinc/80/20/10/629802010.db2.gz HODURTWQJZRJQN-ZCFIWIBFSA-N 0 0 193.312 2.571 10 0 AFAERN CC1=C(C(=O)OC2CCC2)CCC1 307658963 629803014 /nfs/dbraw/zinc/80/30/14/629803014.db2.gz CCYBVOYLYXCZON-UHFFFAOYSA-N 0 0 180.247 2.583 10 0 AFAERN C[C@@H](Nc1ccccn1)c1ccc[nH]1 307697526 629804780 /nfs/dbraw/zinc/80/47/80/629804780.db2.gz GPLNICSRDLMXMP-SECBINFHSA-N 0 0 187.246 2.583 10 0 AFAERN CCSCSC1CCOCC1 307702177 629805460 /nfs/dbraw/zinc/80/54/60/629805460.db2.gz ONVRWIKLFGRCEQ-UHFFFAOYSA-N 0 0 192.349 2.609 10 0 AFAERN CCSCS[C@@H]1CCO[C@H]1C 307696935 629806015 /nfs/dbraw/zinc/80/60/15/629806015.db2.gz FOHFDSIZUIJSEB-JGVFFNPUSA-N 0 0 192.349 2.608 10 0 AFAERN C[C@H](Nc1ccccn1)c1ccc[nH]1 307697527 629806320 /nfs/dbraw/zinc/80/63/20/629806320.db2.gz GPLNICSRDLMXMP-VIFPVBQESA-N 0 0 187.246 2.583 10 0 AFAERN CC1(C(=O)OC2CCC2)CCCC1 307748533 629810735 /nfs/dbraw/zinc/81/07/35/629810735.db2.gz CCBKKGLXJVZREK-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CCC(=O)O[C@@H]1CCCC[C@H]1CC 169048728 629812665 /nfs/dbraw/zinc/81/26/65/629812665.db2.gz SRRFZBHANZUHJW-NXEZZACHSA-N 0 0 184.279 2.908 10 0 AFAERN Cc1nc([C@H](O)C(C)(C)C)sc1C 169137823 629813321 /nfs/dbraw/zinc/81/33/21/629813321.db2.gz CUAMJXMMVJDHMX-QMMMGPOBSA-N 0 0 199.319 2.839 10 0 AFAERN Cc1ccc2nc(C)c(O)cc2c1 168314801 629813593 /nfs/dbraw/zinc/81/35/93/629813593.db2.gz JXTBBFULEBGTLU-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN O=C(OCCC1CC1)c1ccccc1 196162927 629817263 /nfs/dbraw/zinc/81/72/63/629817263.db2.gz GVURDEDYZCSHDB-UHFFFAOYSA-N 0 0 190.242 2.644 10 0 AFAERN CCCCC(=O)c1nccs1 198976479 629818704 /nfs/dbraw/zinc/81/87/04/629818704.db2.gz RWGFFVCDSGOWFT-UHFFFAOYSA-N 0 0 169.249 2.516 10 0 AFAERN CC[C@H](C)COc1ccccc1C=O 50424722 629819762 /nfs/dbraw/zinc/81/97/62/629819762.db2.gz DYTGJRVKYNPCAX-JTQLQIEISA-N 0 0 192.258 2.924 10 0 AFAERN CCCCCC(O)=CC(=O)C(C)C 61442179 629821369 /nfs/dbraw/zinc/82/13/69/629821369.db2.gz AYDOUNLQUOXLNB-UHFFFAOYSA-N 0 0 184.279 2.751 10 0 AFAERN CC[C@@H](C)C(=O)Oc1cccc(C)c1 199681570 629821860 /nfs/dbraw/zinc/82/18/60/629821860.db2.gz WOOOEVPQVDPCGP-SNVBAGLBSA-N 0 0 192.258 2.947 10 0 AFAERN CCCCC(=O)OCCC1CC1 307947877 629825011 /nfs/dbraw/zinc/82/50/11/629825011.db2.gz ADKZKCKRPKAUPD-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN CCC(CC)SCCC1(O)CC1 307990904 629828232 /nfs/dbraw/zinc/82/82/32/629828232.db2.gz TTYYEEHEBGHWHR-UHFFFAOYSA-N 0 0 188.336 2.823 10 0 AFAERN CCC(=O)OCCCCC1CC1 308049108 629832330 /nfs/dbraw/zinc/83/23/30/629832330.db2.gz RCYJNFIZIKTMMK-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN CCCC(=O)OCC1(C)CCC1 308037818 629833909 /nfs/dbraw/zinc/83/39/09/629833909.db2.gz LKWBINVOFVNCRF-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN CC(C)(C)COC(=O)CC1(C)CC1 308130243 629835034 /nfs/dbraw/zinc/83/50/34/629835034.db2.gz AHDMVKKKDSUABF-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)(C)COC(=O)C1(C)CCC1 308130265 629835340 /nfs/dbraw/zinc/83/53/40/629835340.db2.gz AISNPFPYPKUBKF-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)(C)/C=C\C(=O)OC1CCC1 308136684 629835583 /nfs/dbraw/zinc/83/55/83/629835583.db2.gz FUXBGNDVCMJMGN-FPLPWBNLSA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)CCC(=O)OCC1(C)CC1 308132378 629835796 /nfs/dbraw/zinc/83/57/96/629835796.db2.gz BTMMXLZKOKOUHT-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)(C)/C=C/C(=O)OC1CCC1 308136683 629835963 /nfs/dbraw/zinc/83/59/63/629835963.db2.gz FUXBGNDVCMJMGN-BQYQJAHWSA-N 0 0 182.263 2.684 10 0 AFAERN CC1(CC(=O)OCCC2CC2)CC1 308136508 629836182 /nfs/dbraw/zinc/83/61/82/629836182.db2.gz AAWZAYDFLOBZJC-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC(C)CCC(=O)O[C@@H](C)C(F)F 308136576 629836653 /nfs/dbraw/zinc/83/66/53/629836653.db2.gz FQJRXUGOTYUAFB-ZETCQYMHSA-N 0 0 194.221 2.619 10 0 AFAERN CC(C)CC(=O)OC1(C)CCCC1 308155861 629840406 /nfs/dbraw/zinc/84/04/06/629840406.db2.gz RGWYRANNXGIFDG-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)CCOC(=O)/C=C/C1CC1 308157092 629840975 /nfs/dbraw/zinc/84/09/75/629840975.db2.gz SCPQBEJBQKQNPS-AATRIKPKSA-N 0 0 182.263 2.542 10 0 AFAERN C/C(=C/C(C)(C)C)C(=O)NC(C)C 308164413 629841941 /nfs/dbraw/zinc/84/19/41/629841941.db2.gz WVANBTIIGYKLEZ-CLFYSBASSA-N 0 0 183.295 2.503 10 0 AFAERN CC(C)CCC(=O)OC1(C)CCC1 308164816 629842021 /nfs/dbraw/zinc/84/20/21/629842021.db2.gz XAYCPMLFMMYVAA-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN C/C=C(\CC)C(=O)N[C@H](C)C(C)C 308196084 629842547 /nfs/dbraw/zinc/84/25/47/629842547.db2.gz QZUXEIJRMKIRNI-ZFZMKPAXSA-N 0 0 183.295 2.503 10 0 AFAERN O=C(/C=C\C1CC1)Nc1ccsc1 308189413 629843234 /nfs/dbraw/zinc/84/32/34/629843234.db2.gz MHGVTEISBBDWKD-ARJAWSKDSA-N 0 0 193.271 2.653 10 0 AFAERN O=C(CCC1CCC1)OC1CCC1 308192118 629843555 /nfs/dbraw/zinc/84/35/55/629843555.db2.gz OVLJPZZGPXGEIE-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN Cc1cc(C(=O)OCC(C)C)cs1 308220500 629847416 /nfs/dbraw/zinc/84/74/16/629847416.db2.gz BYCHQCFKVKMVFR-UHFFFAOYSA-N 0 0 198.287 2.869 10 0 AFAERN CCC/C=C/C(=O)OCC(C)(C)C 308231460 629847598 /nfs/dbraw/zinc/84/75/98/629847598.db2.gz OWNCTQAOPMAWPO-BQYQJAHWSA-N 0 0 184.279 2.932 10 0 AFAERN CC(C)C(=O)OCC1(C)CCCC1 308226155 629847771 /nfs/dbraw/zinc/84/77/71/629847771.db2.gz DTQBCAFFFNYEGS-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC/C=C/COC(=O)C[C@@H](C)CC 308222852 629847809 /nfs/dbraw/zinc/84/78/09/629847809.db2.gz LZDVYSTTWVKBPP-FGEFZZPRSA-N 0 0 184.279 2.932 10 0 AFAERN CCC/C=C\C(=O)OCC(C)(C)C 308231461 629848173 /nfs/dbraw/zinc/84/81/73/629848173.db2.gz OWNCTQAOPMAWPO-FPLPWBNLSA-N 0 0 184.279 2.932 10 0 AFAERN CCC[C@H](C)C(=O)O[C@@H](C)C1CC1 308227566 629848324 /nfs/dbraw/zinc/84/83/24/629848324.db2.gz NOLFMBLVSDDIAU-IUCAKERBSA-N 0 0 184.279 2.764 10 0 AFAERN CCCC1(C(=O)OC2CC2)CCC1 308243672 629849734 /nfs/dbraw/zinc/84/97/34/629849734.db2.gz TXIGBMDLZUVMJT-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CCCCC(=O)OCC1(C)CCC1 308331182 629850371 /nfs/dbraw/zinc/85/03/71/629850371.db2.gz ITIDQXRHFXBHAB-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN CC(C)=CC(=O)OCC1(C)CCC1 308250774 629850380 /nfs/dbraw/zinc/85/03/80/629850380.db2.gz FHYOIYUVKUIFSF-UHFFFAOYSA-N 0 0 182.263 2.686 10 0 AFAERN CC(C)C(=O)OCCCCCCF 308340235 629852768 /nfs/dbraw/zinc/85/27/68/629852768.db2.gz QNRJHOIBIGOIEL-UHFFFAOYSA-N 0 0 190.258 2.716 10 0 AFAERN CC(C)[C@H](C)OC(=O)CC(C)(F)F 308268427 629853358 /nfs/dbraw/zinc/85/33/58/629853358.db2.gz QVTLYLDSNNVJTF-ZETCQYMHSA-N 0 0 194.221 2.619 10 0 AFAERN C/C=C(\C)C(=O)NC(C)(CC)CC 308292138 629854689 /nfs/dbraw/zinc/85/46/89/629854689.db2.gz HUQWLELRFQJZEK-RMKNXTFCSA-N 0 0 183.295 2.648 10 0 AFAERN CCC(C)(C)C(=O)OCC=C(C)C 308292121 629854955 /nfs/dbraw/zinc/85/49/55/629854955.db2.gz HUAIYYAWRLQPDT-UHFFFAOYSA-N 0 0 184.279 2.932 10 0 AFAERN CC[C@@H](C)CC(=O)OC1CC(C)C1 308309741 629855476 /nfs/dbraw/zinc/85/54/76/629855476.db2.gz QKZKWIXZIXUCHX-XNWIYYODSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@@H](C)C(=O)OCc1cccs1 308300346 629855661 /nfs/dbraw/zinc/85/56/61/629855661.db2.gz LLTLHKICZABHDO-MRVPVSSYSA-N 0 0 198.287 2.837 10 0 AFAERN CC[C@H](C)C(=O)OCCC1(C)CC1 308310033 629855887 /nfs/dbraw/zinc/85/58/87/629855887.db2.gz QSNCLXVQHGZBRX-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN CC[C@H](C)C(=O)OCc1cccs1 308300347 629856573 /nfs/dbraw/zinc/85/65/73/629856573.db2.gz LLTLHKICZABHDO-QMMMGPOBSA-N 0 0 198.287 2.837 10 0 AFAERN CC[C@H](C)CC(=O)OC1CC(C)C1 308309740 629856657 /nfs/dbraw/zinc/85/66/57/629856657.db2.gz QKZKWIXZIXUCHX-IDKOKCKLSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@@H](C)CC(=O)OC1(C)CCC1 308319307 629857322 /nfs/dbraw/zinc/85/73/22/629857322.db2.gz XKQAJSQELSSFLD-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN C/C=C/COC(=O)[C@@H]1CCC[C@H]1C 308315271 629857365 /nfs/dbraw/zinc/85/73/65/629857365.db2.gz VAOBBIMZROFJPA-HIHHVFROSA-N 0 0 182.263 2.542 10 0 AFAERN C/C=C/COC(=O)[C@@H]1CCC[C@@H]1C 308315270 629857668 /nfs/dbraw/zinc/85/76/68/629857668.db2.gz VAOBBIMZROFJPA-FCVPOFOPSA-N 0 0 182.263 2.542 10 0 AFAERN CC[C@@H](C)COC(=O)/C=C\C1CC1 308306437 629857680 /nfs/dbraw/zinc/85/76/80/629857680.db2.gz OSKPPJZQWWPAQD-ATJFRQLMSA-N 0 0 182.263 2.542 10 0 AFAERN C[C@H](OC(=O)C1CCCC1)C1CC1 308340243 629860035 /nfs/dbraw/zinc/86/00/35/629860035.db2.gz QNVYVDLFWFGUFT-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN C/C=C\COC(=O)C1(CC)CCC1 308395502 629861273 /nfs/dbraw/zinc/86/12/73/629861273.db2.gz CVQNDVZZQLEBIX-HYXAFXHYSA-N 0 0 182.263 2.686 10 0 AFAERN O=C(OCc1cccs1)C1CCC1 308394827 629862183 /nfs/dbraw/zinc/86/21/83/629862183.db2.gz CTJDFMDHIDNSTA-UHFFFAOYSA-N 0 0 196.271 2.591 10 0 AFAERN C/C=C/COC(=O)C1(CC)CCC1 308395500 629862335 /nfs/dbraw/zinc/86/23/35/629862335.db2.gz CVQNDVZZQLEBIX-HWKANZROSA-N 0 0 182.263 2.686 10 0 AFAERN CCCCOC(=O)[C@@]1(C)C=CCC1 924403163 629880483 /nfs/dbraw/zinc/88/04/83/629880483.db2.gz CRCOVVRCIDMHQZ-NSHDSACASA-N 0 0 182.263 2.686 10 0 AFAERN CCCCOC(=O)[C@]1(C)C=CCC1 924403162 629880596 /nfs/dbraw/zinc/88/05/96/629880596.db2.gz CRCOVVRCIDMHQZ-LLVKDONJSA-N 0 0 182.263 2.686 10 0 AFAERN C[C@]1(C(=O)OC2CCCC2)C=CCC1 924409379 629882156 /nfs/dbraw/zinc/88/21/56/629882156.db2.gz XWURRJDZDXJOIM-LBPRGKRZSA-N 0 0 194.274 2.829 10 0 AFAERN C[C@@]1(C(=O)OC2CCCC2)C=CCC1 924409378 629882255 /nfs/dbraw/zinc/88/22/55/629882255.db2.gz XWURRJDZDXJOIM-GFCCVEGCSA-N 0 0 194.274 2.829 10 0 AFAERN Cc1cccc(-c2ccc(C=O)nc2)c1 223829656 629887358 /nfs/dbraw/zinc/88/73/58/629887358.db2.gz GEOCWABILAHKCJ-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCOC(=O)/C=C(/C)CC(C)(C)C 224960182 629888896 /nfs/dbraw/zinc/88/88/96/629888896.db2.gz KMSPFKJPVSPLJZ-CLFYSBASSA-N 0 0 184.279 2.932 10 0 AFAERN CCC[C@@H](C)COC(=O)c1ccco1 231181210 629890138 /nfs/dbraw/zinc/89/01/38/629890138.db2.gz UEKUSUXMYHSUFB-SECBINFHSA-N 0 0 196.246 2.873 10 0 AFAERN CCCCC1(NC(=O)C2CCC2)CC1 889534301 629890630 /nfs/dbraw/zinc/89/06/30/629890630.db2.gz WMRCMIGTRPZQLX-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CCc1cccc(OC(=O)C(C)C)c1 230861882 629890668 /nfs/dbraw/zinc/89/06/68/629890668.db2.gz WZYZFPRBCJHKOI-UHFFFAOYSA-N 0 0 192.258 2.810 10 0 AFAERN CCOC(=O)[C@@H]1CCC=CCCC1 39216046 629890751 /nfs/dbraw/zinc/89/07/51/629890751.db2.gz JBJMWXMMUARRJR-SNVBAGLBSA-N 0 0 182.263 2.686 10 0 AFAERN COC(=O)N1CCC[C@@H]1CC(C)(C)C 226360841 629890805 /nfs/dbraw/zinc/89/08/05/629890805.db2.gz HOVXELFGQVPPNJ-SECBINFHSA-N 0 0 199.294 2.653 10 0 AFAERN CCC/C(=C/C(=O)OCC)CC 231465603 629890844 /nfs/dbraw/zinc/89/08/44/629890844.db2.gz AMDBYGYJCYMGJR-CMDGGOBGSA-N 0 0 170.252 2.686 10 0 AFAERN Cc1cccc(OC(=O)C(C)C)c1C 230858872 629891143 /nfs/dbraw/zinc/89/11/43/629891143.db2.gz HXKJOHRJWKYBNW-UHFFFAOYSA-N 0 0 192.258 2.865 10 0 AFAERN CCCCOC(=O)CCc1ccoc1 231221015 629891150 /nfs/dbraw/zinc/89/11/50/629891150.db2.gz GKBPVNJYWGTECJ-UHFFFAOYSA-N 0 0 196.246 2.556 10 0 AFAERN CCOC(=O)[C@H]1CCC=CCCC1 39216045 629891245 /nfs/dbraw/zinc/89/12/45/629891245.db2.gz JBJMWXMMUARRJR-JTQLQIEISA-N 0 0 182.263 2.686 10 0 AFAERN CSCOC1CCCCC1 39245104 629892132 /nfs/dbraw/zinc/89/21/32/629892132.db2.gz CMOIWROGYQTXNN-UHFFFAOYSA-N 0 0 160.282 2.656 10 0 AFAERN CC(C)C(=O)/C(C#N)=C\c1ccccc1 218649494 629892673 /nfs/dbraw/zinc/89/26/73/629892673.db2.gz CHLUUSQVRKHKRN-WQLSENKSSA-N 0 0 199.253 2.819 10 0 AFAERN CC[C@H](C)OC(=O)C(C)(Cl)Cl 138117531 629908378 /nfs/dbraw/zinc/90/83/78/629908378.db2.gz GXUWYINTWSIZPX-YFKPBYRVSA-N 0 0 199.077 2.522 10 0 AFAERN CNc1cnn(CC(C)C)c1C(C)C 306181611 629914830 /nfs/dbraw/zinc/91/48/30/629914830.db2.gz UZTBJEIIMILAPV-UHFFFAOYSA-N 0 0 195.310 2.704 10 0 AFAERN CC1(C)CC[C@@H]1C(=O)OCC1CCC1 850071768 629916878 /nfs/dbraw/zinc/91/68/78/629916878.db2.gz WMGWNWPOKSTQDZ-SNVBAGLBSA-N 0 0 196.290 2.766 10 0 AFAERN CC1(C)CC[C@H]1C(=O)OCC1CCC1 850071767 629917217 /nfs/dbraw/zinc/91/72/17/629917217.db2.gz WMGWNWPOKSTQDZ-JTQLQIEISA-N 0 0 196.290 2.766 10 0 AFAERN CNc1ccc(F)cc1SC 206338528 629917627 /nfs/dbraw/zinc/91/76/27/629917627.db2.gz AQBYZRZFXUONSK-UHFFFAOYSA-N 0 0 171.240 2.589 10 0 AFAERN FC(F)(F)c1nc(CS)cs1 149511915 629922625 /nfs/dbraw/zinc/92/26/25/629922625.db2.gz PHIMXXQYCUCSJY-UHFFFAOYSA-N 0 0 199.222 2.592 10 0 AFAERN Cc1cc(-c2ccccc2C=O)ccn1 229580347 629945428 /nfs/dbraw/zinc/94/54/28/629945428.db2.gz BCYOCJXLHQJPSF-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1cc(-c2ccc(C=O)cc2)ccn1 229580146 629945949 /nfs/dbraw/zinc/94/59/49/629945949.db2.gz UCAAIXMVLSXNQP-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCC(C)(C)c1[nH]nc(N)c1C(C)C 229820538 629947752 /nfs/dbraw/zinc/94/77/52/629947752.db2.gz TYYRNOOBNUILCT-UHFFFAOYSA-N 0 0 195.310 2.803 10 0 AFAERN CC[C@@H](C)c1[nH]nc(N)c1C(C)C 229821755 629948024 /nfs/dbraw/zinc/94/80/24/629948024.db2.gz KNBVRECTPOWJNU-SSDOTTSWSA-N 0 0 181.283 2.629 10 0 AFAERN CCC[C@@H](C)CN1CCC(F)(F)C1 393725523 629948317 /nfs/dbraw/zinc/94/83/17/629948317.db2.gz YLHDJQAOICRFOO-SECBINFHSA-N 0 0 191.265 2.764 10 0 AFAERN CCC[C@H](C)CN1CCC(F)(F)C1 393725524 629949317 /nfs/dbraw/zinc/94/93/17/629949317.db2.gz YLHDJQAOICRFOO-VIFPVBQESA-N 0 0 191.265 2.764 10 0 AFAERN CC(C)c1c(N)n[nH]c1CC(C)(C)C 229824867 629949624 /nfs/dbraw/zinc/94/96/24/629949624.db2.gz XJGVRAZTPWFEHI-UHFFFAOYSA-N 0 0 195.310 2.704 10 0 AFAERN CC1(C(=O)OCCC2CCC2)CCC1 783444609 629965784 /nfs/dbraw/zinc/96/57/84/629965784.db2.gz GJOCKIYXTOBIDT-UHFFFAOYSA-N 0 0 196.290 2.910 10 0 AFAERN CCC(=O)O[C@@H](C)C1CCCC1 307943320 629966803 /nfs/dbraw/zinc/96/68/03/629966803.db2.gz FHSVSEPOUBNHAG-QMMMGPOBSA-N 0 0 170.252 2.518 10 0 AFAERN O=C(CC1CCC1)OCCC1CCC1 783446157 629967897 /nfs/dbraw/zinc/96/78/97/629967897.db2.gz AFFJNZIEABBIQJ-UHFFFAOYSA-N 0 0 196.290 2.910 10 0 AFAERN C[C@@H](c1cccs1)N(C)CCF 307943065 629968169 /nfs/dbraw/zinc/96/81/69/629968169.db2.gz FAIOEZLLNOSEMF-QMMMGPOBSA-N 0 0 187.283 2.710 10 0 AFAERN CCC[C@H]1C=C[C@](C)(O)CC1 167947409 629970794 /nfs/dbraw/zinc/97/07/94/629970794.db2.gz JHFOKSMPHAQIAN-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN CO[C@H](C)CSC/C(C)=C/Cl 307917944 629972298 /nfs/dbraw/zinc/97/22/98/629972298.db2.gz CWCULSQVKAVFNF-RXLGXGPVSA-N 0 0 194.727 2.897 10 0 AFAERN CCCC(=O)OCC(C)(C)CC 308040778 629976984 /nfs/dbraw/zinc/97/69/84/629976984.db2.gz NISQUOYLXJNNPR-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN CC[C@@H](C)OC(=O)CC1CCC1 308028945 629979514 /nfs/dbraw/zinc/97/95/14/629979514.db2.gz IEPSJLSPIWFIFL-MRVPVSSYSA-N 0 0 170.252 2.518 10 0 AFAERN Cc1nc([C@@H](O)C(C)(C)C)sc1C 169137747 629979548 /nfs/dbraw/zinc/97/95/48/629979548.db2.gz CUAMJXMMVJDHMX-MRVPVSSYSA-N 0 0 199.319 2.839 10 0 AFAERN CC(C)CCC(=O)O[C@H]1C=CCC1 308170819 629989179 /nfs/dbraw/zinc/98/91/79/629989179.db2.gz ZLNQJMYDGVFOLG-JTQLQIEISA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)CCC(=O)O[C@@H]1C=CCC1 308170821 629989651 /nfs/dbraw/zinc/98/96/51/629989651.db2.gz ZLNQJMYDGVFOLG-SNVBAGLBSA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)(C)CCC(=O)OC1CCC1 308160258 629990156 /nfs/dbraw/zinc/99/01/56/629990156.db2.gz UPTNZAIFRPTGAV-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)CC(=O)OCCC(C)(F)F 308169003 629991698 /nfs/dbraw/zinc/99/16/98/629991698.db2.gz YPQYENRRWHDJAZ-UHFFFAOYSA-N 0 0 194.221 2.621 10 0 AFAERN CSCCSCc1ccccn1 308157909 629992333 /nfs/dbraw/zinc/99/23/33/629992333.db2.gz PVWNLRDKYCMPMK-UHFFFAOYSA-N 0 0 199.344 2.678 10 0 AFAERN Cc1ccsc1COC(=O)C(C)C 308159912 629993825 /nfs/dbraw/zinc/99/38/25/629993825.db2.gz UNUWQZXPGISYPP-UHFFFAOYSA-N 0 0 198.287 2.756 10 0 AFAERN CCC(=O)OCC12CCC(CC1)C2 308202487 629999698 /nfs/dbraw/zinc/99/96/98/629999698.db2.gz WEJDXBSTVMUXFN-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC1CCN(c2ccccc2O)CC1 75580240 521046794 /nfs/dbraw/zinc/04/67/94/521046794.db2.gz IUJWWLHTFJERMK-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN CCC(=O)N(CC)c1ccccc1F 70225864 521088036 /nfs/dbraw/zinc/08/80/36/521088036.db2.gz GDCZLFNRXXUNOJ-UHFFFAOYSA-N 0 0 195.237 2.589 10 0 AFAERN CCC(=O)N1CCC(C(C)(C)C)CC1 82717322 521091895 /nfs/dbraw/zinc/09/18/95/521091895.db2.gz QAEWUDBLIUCQMF-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCC(=O)N[C@H](C)c1cccc(C)c1 88162352 521185363 /nfs/dbraw/zinc/18/53/63/521185363.db2.gz GYMZBBBPSGZVCF-SNVBAGLBSA-N 0 0 191.274 2.582 10 0 AFAERN CCN1CCCc2ccc(NC)cc21 71451656 521659152 /nfs/dbraw/zinc/65/91/52/521659152.db2.gz WURWYFXOCVFKPF-UHFFFAOYSA-N 0 0 190.290 2.501 10 0 AFAERN CCN1CCNc2cccc(Cl)c21 77296151 521702398 /nfs/dbraw/zinc/70/23/98/521702398.db2.gz YVRQTJVERCNLTI-UHFFFAOYSA-N 0 0 196.681 2.592 10 0 AFAERN CCN1CCNc2cc(Cl)ccc21 76926528 521702598 /nfs/dbraw/zinc/70/25/98/521702598.db2.gz BUNZQQWCQRNITO-UHFFFAOYSA-N 0 0 196.681 2.592 10 0 AFAERN CCN1c2ccc(O)cc2CC[C@H]1C 211732096 521730756 /nfs/dbraw/zinc/73/07/56/521730756.db2.gz GTHTYBUQIHDGEY-SECBINFHSA-N 0 0 191.274 2.553 10 0 AFAERN CCN1C[C@@H](C)Nc2cc(C)ccc21 76927427 521727045 /nfs/dbraw/zinc/72/70/45/521727045.db2.gz ALQNCISKBFPNSR-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN CCN1C[C@H](C)Nc2cc(C)ccc21 76927426 521729276 /nfs/dbraw/zinc/72/92/76/521729276.db2.gz ALQNCISKBFPNSR-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN CCN1c2cc(C)ccc2NC[C@H]1C 76970267 521730393 /nfs/dbraw/zinc/73/03/93/521730393.db2.gz XETXEUOLURIVQI-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN CCN1c2cc(C)ccc2NC[C@@H]1C 76970265 521730484 /nfs/dbraw/zinc/73/04/84/521730484.db2.gz XETXEUOLURIVQI-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN CCN1c2ccc(O)cc2CC[C@@H]1C 211732011 521730772 /nfs/dbraw/zinc/73/07/72/521730772.db2.gz GTHTYBUQIHDGEY-VIFPVBQESA-N 0 0 191.274 2.553 10 0 AFAERN Cc1c[nH]nc1CSC1CCC1 917783485 630799894 /nfs/dbraw/zinc/79/98/94/630799894.db2.gz DMDNTURNIFRACV-UHFFFAOYSA-N 0 0 182.292 2.504 10 0 AFAERN C1CC(SC[C@@H]2C[C@@]23CCOC3)C1 917785267 630800588 /nfs/dbraw/zinc/80/05/88/630800588.db2.gz WHLQOHKQKSIMHA-GXSJLCMTSA-N 0 0 198.331 2.699 10 0 AFAERN CCCCc1ccc(OC(C)=O)cc1 39280808 631149643 /nfs/dbraw/zinc/14/96/43/631149643.db2.gz IENDTEDHWNXFQX-UHFFFAOYSA-N 0 0 192.258 2.955 10 0 AFAERN CC[C@H](C)c1nc(C)cs1 164690965 522048309 /nfs/dbraw/zinc/04/83/09/522048309.db2.gz ICTZAJDSZREVOG-LURJTMIESA-N 0 0 155.266 2.965 10 0 AFAERN CC[C@H](C)c1csc(C(C)=O)n1 71026752 522048454 /nfs/dbraw/zinc/04/84/54/522048454.db2.gz CKITVRUXCQEUKV-LURJTMIESA-N 0 0 183.276 2.859 10 0 AFAERN CCc1csc(C(C)(C)OC)n1 164729113 522092649 /nfs/dbraw/zinc/09/26/49/522092649.db2.gz GJPYTUMLWDRSHV-UHFFFAOYSA-N 0 0 185.292 2.587 10 0 AFAERN CCc1nc(C2CC2)cs1 157120059 522242865 /nfs/dbraw/zinc/24/28/65/522242865.db2.gz GZCOFBVEABMQNC-UHFFFAOYSA-N 0 0 153.250 2.583 10 0 AFAERN CC[C@@H](C)c1csc(C(C)=O)n1 71026750 522438541 /nfs/dbraw/zinc/43/85/41/522438541.db2.gz CKITVRUXCQEUKV-ZCFIWIBFSA-N 0 0 183.276 2.859 10 0 AFAERN CC[C@@H](C)c1nc(C)cs1 164690850 522440084 /nfs/dbraw/zinc/44/00/84/522440084.db2.gz ICTZAJDSZREVOG-ZCFIWIBFSA-N 0 0 155.266 2.965 10 0 AFAERN CC[C@H]1CN(C)c2ccc(C)cc2N1 76929320 523268578 /nfs/dbraw/zinc/26/85/78/523268578.db2.gz JGZGMORZZIUHPL-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN CC[C@H]1CN(CC)c2ccccc2N1 76929132 523270139 /nfs/dbraw/zinc/27/01/39/523270139.db2.gz QYJZWPJLCBCAQG-JTQLQIEISA-N 0 0 190.290 2.717 10 0 AFAERN CC[C@H]1CNc2ccc(C)cc2N1C 76936291 523322223 /nfs/dbraw/zinc/32/22/23/523322223.db2.gz NMXILMQRPDDEEO-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN CC[C@@H]1CN(C)c2ccc(C)cc2N1 76929319 523433182 /nfs/dbraw/zinc/43/31/82/523433182.db2.gz JGZGMORZZIUHPL-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN CC[C@@H]1CN(CC)c2ccccc2N1 76929131 523438791 /nfs/dbraw/zinc/43/87/91/523438791.db2.gz QYJZWPJLCBCAQG-SNVBAGLBSA-N 0 0 190.290 2.717 10 0 AFAERN CC[C@@H]1CNc2ccc(C)cc2N1C 76936289 523487733 /nfs/dbraw/zinc/48/77/33/523487733.db2.gz NMXILMQRPDDEEO-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN CC[C@]1(C)CNc2ccccc2N1C 76935717 523577251 /nfs/dbraw/zinc/57/72/51/523577251.db2.gz DKNGDCBHDXFOIP-GFCCVEGCSA-N 0 0 190.290 2.717 10 0 AFAERN CC[C@@]1(C)CNc2ccccc2N1C 76935719 523719616 /nfs/dbraw/zinc/71/96/16/523719616.db2.gz DKNGDCBHDXFOIP-LBPRGKRZSA-N 0 0 190.290 2.717 10 0 AFAERN CCCOC(=O)C(C)=C1CCCC1 308208763 630001953 /nfs/dbraw/zinc/00/19/53/630001953.db2.gz DZTRLRCPTHGDDU-UHFFFAOYSA-N 0 0 182.263 2.830 10 0 AFAERN CCC[C@@H](C)C(=O)OC1(C)CCC1 308215705 630002597 /nfs/dbraw/zinc/00/25/97/630002597.db2.gz JFRNWLSEQZDAQT-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN CC[C@H](C)OC(=O)[C@H]1CCC[C@@H]1C 308237510 630002991 /nfs/dbraw/zinc/00/29/91/630002991.db2.gz RKAOSDZWWCUVOS-GUBZILKMSA-N 0 0 184.279 2.764 10 0 AFAERN CCCCOC(=O)[C@@H]1C[C@@H]1C(C)C 308214111 630003312 /nfs/dbraw/zinc/00/33/12/630003312.db2.gz IASKTEMFPYMGHQ-NXEZZACHSA-N 0 0 184.279 2.622 10 0 AFAERN CC[C@@H](C)OC(=O)C1(C)CCCC1 308214137 630003589 /nfs/dbraw/zinc/00/35/89/630003589.db2.gz ICPZJVIYRQCENT-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN CC[C@H](C)OC(=O)[C@@H]1CCC[C@@H]1C 308237512 630003620 /nfs/dbraw/zinc/00/36/20/630003620.db2.gz RKAOSDZWWCUVOS-LPEHRKFASA-N 0 0 184.279 2.764 10 0 AFAERN CCC(CC)COC(=O)C=C(C)C 308212721 630003693 /nfs/dbraw/zinc/00/36/93/630003693.db2.gz HHWIMKPCQGFGPX-UHFFFAOYSA-N 0 0 184.279 2.932 10 0 AFAERN CCCCOC(=O)[C@H]1C[C@H]1C(C)C 308214112 630003909 /nfs/dbraw/zinc/00/39/09/630003909.db2.gz IASKTEMFPYMGHQ-UWVGGRQHSA-N 0 0 184.279 2.622 10 0 AFAERN CCCC[C@H](C)OC(=O)CC1CC1 308223390 630004105 /nfs/dbraw/zinc/00/41/05/630004105.db2.gz MDPJNXZIRWRKLZ-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN C/C=C(\C)C(=O)N[C@@H](CC)C(C)C 308209581 630004219 /nfs/dbraw/zinc/00/42/19/630004219.db2.gz FPSXZMOZGFRCRM-ZKXNXJMVSA-N 0 0 183.295 2.503 10 0 AFAERN CCCC(=O)OCC1(C(C)C)CC1 308248450 630005239 /nfs/dbraw/zinc/00/52/39/630005239.db2.gz ZKBDILCRABOKFV-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C/C=C\COC(=O)C(C)(C)C1CC1 308290484 630007480 /nfs/dbraw/zinc/00/74/80/630007480.db2.gz GTLPRQKYPYFVEC-PLNGDYQASA-N 0 0 182.263 2.542 10 0 AFAERN C/C=C\COC(=O)[C@@H](C)CC(C)C 308290436 630007606 /nfs/dbraw/zinc/00/76/06/630007606.db2.gz GRODSDSOQWVRLZ-OMMCCPJFSA-N 0 0 184.279 2.788 10 0 AFAERN C/C=C(/CC)C(=O)OC1(C)CCC1 308314435 630007677 /nfs/dbraw/zinc/00/76/77/630007677.db2.gz ULAPLIMZBYEUPE-WTKPLQERSA-N 0 0 182.263 2.829 10 0 AFAERN CC1(OC(=O)CC2CCC2)CCC1 308304626 630007919 /nfs/dbraw/zinc/00/79/19/630007919.db2.gz NRDCOTDYKYKRDA-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN C/C=C/C=C\C(=O)OC[C@@H](C)CC 308287517 630007929 /nfs/dbraw/zinc/00/79/29/630007929.db2.gz FDHSLNMVFCDGJZ-KCVIMFSPSA-N 0 0 182.263 2.708 10 0 AFAERN C/C=C(/CC)C(=O)O[C@H](C)C(F)F 308299807 630007979 /nfs/dbraw/zinc/00/79/79/630007979.db2.gz LEMQNVPESPUDOP-CDXJMXTPSA-N 0 0 192.205 2.540 10 0 AFAERN C/C=C(/C)C(=O)NC(C)(CC)CC 308292324 630008111 /nfs/dbraw/zinc/00/81/11/630008111.db2.gz HUQWLELRFQJZEK-TWGQIWQCSA-N 0 0 183.295 2.648 10 0 AFAERN CC(C)=C(C)C(=O)O[C@@H](C)C1CC1 308315049 630008307 /nfs/dbraw/zinc/00/83/07/630008307.db2.gz WADIXPIHFIAPIW-VIFPVBQESA-N 0 0 182.263 2.684 10 0 AFAERN C/C=C/COC(=O)[C@H](C)CC(C)C 308290435 630008394 /nfs/dbraw/zinc/00/83/94/630008394.db2.gz GRODSDSOQWVRLZ-BRAIEQGRSA-N 0 0 184.279 2.788 10 0 AFAERN C/C=C\COC(=O)C1(C)CCCC1 308288028 630008743 /nfs/dbraw/zinc/00/87/43/630008743.db2.gz FGUZJALHCWAFCN-ARJAWSKDSA-N 0 0 182.263 2.686 10 0 AFAERN C/C=C(/CC)C(=O)O[C@@H](C)C(F)F 308299806 630008820 /nfs/dbraw/zinc/00/88/20/630008820.db2.gz LEMQNVPESPUDOP-BBEKVSQQSA-N 0 0 192.205 2.540 10 0 AFAERN CCC(C)(C)COC(=O)C1CCC1 308300880 630008884 /nfs/dbraw/zinc/00/88/84/630008884.db2.gz LUYQQMPBHFYKGW-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C/C=C/COC(=O)C(C)(C)C1CC1 308290485 630009142 /nfs/dbraw/zinc/00/91/42/630009142.db2.gz GTLPRQKYPYFVEC-SNAWJCMRSA-N 0 0 182.263 2.542 10 0 AFAERN CC(=O)O[C@@H](C)CC1CCCCC1 308299972 630009783 /nfs/dbraw/zinc/00/97/83/630009783.db2.gz JVKIVFVEQARSFE-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)CN(C)C(=O)OC1CCCC1 308446855 630011870 /nfs/dbraw/zinc/01/18/70/630011870.db2.gz AYVXUHGVTIENCY-UHFFFAOYSA-N 0 0 199.294 2.653 10 0 AFAERN CC/C=C/COC(=O)CC1(C)CC1 308504049 630012041 /nfs/dbraw/zinc/01/20/41/630012041.db2.gz YHKIOQNUSGJSHN-SNAWJCMRSA-N 0 0 182.263 2.686 10 0 AFAERN CCC[C@@H](C)COC(=O)C1CCC1 308440874 630012474 /nfs/dbraw/zinc/01/24/74/630012474.db2.gz YXWPPOTWWFKFLC-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CCCC(=O)OCCCC(F)(F)F 308464204 630013279 /nfs/dbraw/zinc/01/32/79/630013279.db2.gz ILRVBGSJUXHRCA-UHFFFAOYSA-N 0 0 198.184 2.672 10 0 AFAERN CC/C=C/COC(=O)CCC(C)C 308498693 630014106 /nfs/dbraw/zinc/01/41/06/630014106.db2.gz VLHZSJYUDJHTRT-AATRIKPKSA-N 0 0 184.279 2.932 10 0 AFAERN CON(CC(C)(C)C)[C@H](C)C1CC1 930460681 630023582 /nfs/dbraw/zinc/02/35/82/630023582.db2.gz NVSQHKCAWFAIRA-SECBINFHSA-N 0 0 185.311 2.694 10 0 AFAERN CON(CC(C)(C)C)[C@@H](C)C1CC1 930460682 630023863 /nfs/dbraw/zinc/02/38/63/630023863.db2.gz NVSQHKCAWFAIRA-VIFPVBQESA-N 0 0 185.311 2.694 10 0 AFAERN CCC[C@@H](C)CCNC(=O)C1=CCC1 893365080 630035316 /nfs/dbraw/zinc/03/53/16/630035316.db2.gz GFMHHGBLMJYZDI-SNVBAGLBSA-N 0 0 195.306 2.649 10 0 AFAERN CCC[C@H](C)CCNC(=O)C1=CCC1 893365079 630036019 /nfs/dbraw/zinc/03/60/19/630036019.db2.gz GFMHHGBLMJYZDI-JTQLQIEISA-N 0 0 195.306 2.649 10 0 AFAERN CCNC(=O)c1ccccc1C(C)C 196356771 630040229 /nfs/dbraw/zinc/04/02/29/630040229.db2.gz ICYHPFDKVLVJGN-UHFFFAOYSA-N 0 0 191.274 2.560 10 0 AFAERN FC(F)[C@H]1CCN1CCCC1CC1 931429214 630040893 /nfs/dbraw/zinc/04/08/93/630040893.db2.gz VUXUDSIUMXUEME-SECBINFHSA-N 0 0 189.249 2.516 10 0 AFAERN FC(F)[C@@H]1CCN1CCCC1CC1 931429215 630041398 /nfs/dbraw/zinc/04/13/98/630041398.db2.gz VUXUDSIUMXUEME-VIFPVBQESA-N 0 0 189.249 2.516 10 0 AFAERN CCC/C=C\C(=O)Oc1ccccc1 199258531 630043511 /nfs/dbraw/zinc/04/35/11/630043511.db2.gz BAIDYELTXTXJOA-YHYXMXQVSA-N 0 0 190.242 2.948 10 0 AFAERN CC(C)Nc1ccc2c(c1)CCCO2 82588497 630045350 /nfs/dbraw/zinc/04/53/50/630045350.db2.gz XGEDGUFZPGQJIG-UHFFFAOYSA-N 0 0 191.274 2.832 10 0 AFAERN CC1(C)CCCN1C(=O)CCC1CC1 334687915 630049909 /nfs/dbraw/zinc/04/99/09/630049909.db2.gz VFVURTJGVLWCHW-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CC(C)Nc1cnc2c(c1)CCCC2 200701251 630052161 /nfs/dbraw/zinc/05/21/61/630052161.db2.gz AWBLLVGRRNHRAP-UHFFFAOYSA-N 0 0 190.290 2.781 10 0 AFAERN CCCC(=O)OCc1cccc(C)c1 215980418 630052411 /nfs/dbraw/zinc/05/24/11/630052411.db2.gz AULUVWIWBDCPSK-UHFFFAOYSA-N 0 0 192.258 2.838 10 0 AFAERN CCCCOC(=O)C1(C)CCCC1 106149298 630053013 /nfs/dbraw/zinc/05/30/13/630053013.db2.gz DZANURLFUDUYRR-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN CC[C@H](C)OC(=O)C1(C)CC=CC1 924200762 630053151 /nfs/dbraw/zinc/05/31/51/630053151.db2.gz FYZFZVFTMKOTRV-VIFPVBQESA-N 0 0 182.263 2.684 10 0 AFAERN C/C=C(/C)C(=O)OCC(C)(C)C 82021209 630053317 /nfs/dbraw/zinc/05/33/17/630053317.db2.gz CBFZVDUBQXGOSX-VURMDHGXSA-N 0 0 170.252 2.542 10 0 AFAERN CC[C@@H](C)OC(=O)C1(C)CC=CC1 924200761 630053447 /nfs/dbraw/zinc/05/34/47/630053447.db2.gz FYZFZVFTMKOTRV-SECBINFHSA-N 0 0 182.263 2.684 10 0 AFAERN CCCCOC(=O)C[C@H]1C=CCC1 106148173 630053583 /nfs/dbraw/zinc/05/35/83/630053583.db2.gz AISROQIKFUQOPU-JTQLQIEISA-N 0 0 182.263 2.686 10 0 AFAERN CCCOC(=O)c1ccc(CC)s1 55279018 630053843 /nfs/dbraw/zinc/05/38/43/630053843.db2.gz XUIVDBMSMCLEDN-UHFFFAOYSA-N 0 0 198.287 2.877 10 0 AFAERN CCCCOC(=O)CC1CCCC1 106146446 630054030 /nfs/dbraw/zinc/05/40/30/630054030.db2.gz HMADOAXKRYTIMC-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN C/C=C(\C)C(=O)OCC(C)(C)C 82021208 630054167 /nfs/dbraw/zinc/05/41/67/630054167.db2.gz CBFZVDUBQXGOSX-SOFGYWHQSA-N 0 0 170.252 2.542 10 0 AFAERN CCCCOC(=O)C[C@@H]1C=CCC1 106148177 630054208 /nfs/dbraw/zinc/05/42/08/630054208.db2.gz AISROQIKFUQOPU-SNVBAGLBSA-N 0 0 182.263 2.686 10 0 AFAERN CC(C)(C)C(=O)OC[C@@]12CCC[C@@H]1C2 893627170 630055287 /nfs/dbraw/zinc/05/52/87/630055287.db2.gz UBRVFYOCOFPXEK-SKDRFNHKSA-N 0 0 196.290 2.766 10 0 AFAERN CCCCCC(=O)OC[C@H]1C[C@@H]1C 221565707 630055400 /nfs/dbraw/zinc/05/54/00/630055400.db2.gz GWAWGFHBVXVAPN-VHSXEESVSA-N 0 0 184.279 2.766 10 0 AFAERN C/C=C(/C)C(=O)OC[C@@]12CCC[C@@H]1C2 893628802 630055627 /nfs/dbraw/zinc/05/56/27/630055627.db2.gz WYJCIXZIEPVMLT-GLVDQLAASA-N 0 0 194.274 2.686 10 0 AFAERN CCN(C)c1ccc(C)cc1C 59704929 630055978 /nfs/dbraw/zinc/05/59/78/630055978.db2.gz HQRZPEVKOROKRA-UHFFFAOYSA-N 0 0 163.264 2.760 10 0 AFAERN C/C=C(\C)C(=O)OC[C@@]12CCC[C@@H]1C2 893628801 630056074 /nfs/dbraw/zinc/05/60/74/630056074.db2.gz WYJCIXZIEPVMLT-FIWGHNNNSA-N 0 0 194.274 2.686 10 0 AFAERN CC[C@@H](C)C(=O)OC[C@@]12CCC[C@@H]1C2 893627630 630056204 /nfs/dbraw/zinc/05/62/04/630056204.db2.gz XXVMNKUNVBBHHZ-FOGDFJRCSA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)COC(=O)C1(C)CCCC1 82059643 630056278 /nfs/dbraw/zinc/05/62/78/630056278.db2.gz HANZSDQHBIXJAG-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CCN(CC1CCC1)c1nccs1 893629459 630056340 /nfs/dbraw/zinc/05/63/40/630056340.db2.gz GONLGCYTAOHYNN-UHFFFAOYSA-N 0 0 196.319 2.770 10 0 AFAERN CCC(C)(C)c1cc(C)no1 221414659 630056555 /nfs/dbraw/zinc/05/65/55/630056555.db2.gz UFMKCNZLVZQSNY-UHFFFAOYSA-N 0 0 153.225 2.671 10 0 AFAERN CC1(C(=O)OC[C@@]23CCC[C@@H]2C3)CC1 893628277 630056581 /nfs/dbraw/zinc/05/65/81/630056581.db2.gz KAQVXUKYTKMDCU-SKDRFNHKSA-N 0 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/nfs/dbraw/zinc/10/07/16/630100716.db2.gz UCNJCBWCXDFVMU-UHFFFAOYSA-N 0 0 176.350 2.883 10 0 AFAERN C/C=C/C(=O)N1C[C@H](CC)CC[C@@H]1C 306381447 630101831 /nfs/dbraw/zinc/10/18/31/630101831.db2.gz SFQKTYSIVANZIC-XDFYEUQUSA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)c1noc([C@@H]2CC2(C)C)n1 306391594 630103587 /nfs/dbraw/zinc/10/35/87/630103587.db2.gz FOXZIHOHDNZUOC-ZETCQYMHSA-N 0 0 180.251 2.707 10 0 AFAERN Cc1cc(-c2cnc(C)s2)ccn1 306385953 630103848 /nfs/dbraw/zinc/10/38/48/630103848.db2.gz XUEOYVQTJNDHNK-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C 306409447 630106787 /nfs/dbraw/zinc/10/67/87/630106787.db2.gz LZZOXFYMUCQQNZ-OPRDCNLKSA-N 0 0 184.279 2.764 10 0 AFAERN CCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C 306409444 630107559 /nfs/dbraw/zinc/10/75/59/630107559.db2.gz LZZOXFYMUCQQNZ-IVZWLZJFSA-N 0 0 184.279 2.764 10 0 AFAERN CCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C 306409446 630108039 /nfs/dbraw/zinc/10/80/39/630108039.db2.gz LZZOXFYMUCQQNZ-LPEHRKFASA-N 0 0 184.279 2.764 10 0 AFAERN Cc1ncc(-c2ccccn2)s1 306422421 630108307 /nfs/dbraw/zinc/10/83/07/630108307.db2.gz AUDUJNJPHFRGDV-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN CCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C 306409445 630108722 /nfs/dbraw/zinc/10/87/22/630108722.db2.gz LZZOXFYMUCQQNZ-KXUCPTDWSA-N 0 0 184.279 2.764 10 0 AFAERN CC1(C)CCC[C@@H]1C(=O)OC1CC1 306446467 630109998 /nfs/dbraw/zinc/10/99/98/630109998.db2.gz SJEWJUHJDXFGFL-SECBINFHSA-N 0 0 182.263 2.518 10 0 AFAERN CC1(C)CCC[C@H]1C(=O)OC1CC1 306446469 630110039 /nfs/dbraw/zinc/11/00/39/630110039.db2.gz SJEWJUHJDXFGFL-VIFPVBQESA-N 0 0 182.263 2.518 10 0 AFAERN CCOCSC(CC)CC 306436548 630110498 /nfs/dbraw/zinc/11/04/98/630110498.db2.gz GLUPTVPPXUQZSU-UHFFFAOYSA-N 0 0 162.298 2.902 10 0 AFAERN CC1(C)C[C@H]1C(=O)Nc1ccsc1 306445921 630111817 /nfs/dbraw/zinc/11/18/17/630111817.db2.gz RDZOSTTYVTVAER-QMMMGPOBSA-N 0 0 195.287 2.733 10 0 AFAERN CC(C)C(C)(C)S[C@@H]1CCOC1 306502903 630113712 /nfs/dbraw/zinc/11/37/12/630113712.db2.gz DHOZATMQEUHCIP-SECBINFHSA-N 0 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/nfs/dbraw/zinc/13/25/70/630132570.db2.gz GDMGRFCBKDTLBZ-UHFFFAOYSA-N 0 0 196.271 2.766 10 0 AFAERN CC1(OC(=O)[C@H]2CC2(C)C)CCC1 306867318 630133482 /nfs/dbraw/zinc/13/34/82/630133482.db2.gz PEMKDEONLAWLCT-MRVPVSSYSA-N 0 0 182.263 2.518 10 0 AFAERN CC[C@@H](C)SC1=NCCS1 306842899 630134412 /nfs/dbraw/zinc/13/44/12/630134412.db2.gz CAPDVGCDTJTARX-ZCFIWIBFSA-N 0 0 175.322 2.621 10 0 AFAERN CC[C@H](C)SC1=NCCS1 306842898 630135338 /nfs/dbraw/zinc/13/53/38/630135338.db2.gz CAPDVGCDTJTARX-LURJTMIESA-N 0 0 175.322 2.621 10 0 AFAERN CCC(=O)O[C@@H]1C[C@@H](C)C[C@@H](C)C1 306956755 630136871 /nfs/dbraw/zinc/13/68/71/630136871.db2.gz SALWEGGHMZUKDK-MYJAWHEDSA-N 0 0 184.279 2.764 10 0 AFAERN CCC(=O)OC1C[C@H](C)C[C@@H](C)C1 306956756 630137527 /nfs/dbraw/zinc/13/75/27/630137527.db2.gz SALWEGGHMZUKDK-RKDXNWHRSA-N 0 0 184.279 2.764 10 0 AFAERN CC1CC(OC(=O)c2ccsc2)C1 306965003 630138064 /nfs/dbraw/zinc/13/80/64/630138064.db2.gz NCMQYFOUGJMCGH-UHFFFAOYSA-N 0 0 196.271 2.703 10 0 AFAERN 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194.274 2.851 10 0 AFAERN CC(C)/C=C/C(=O)O[C@@H]1C=CCCC1 785066363 630384644 /nfs/dbraw/zinc/38/46/44/630384644.db2.gz NXDWQXGJFMXWDK-ANYFNZRUSA-N 0 0 194.274 2.851 10 0 AFAERN CC(C)/C=C/C(=O)O[C@H]1C=CCCC1 785066365 630384728 /nfs/dbraw/zinc/38/47/28/630384728.db2.gz NXDWQXGJFMXWDK-FBOQAHMBSA-N 0 0 194.274 2.851 10 0 AFAERN CCCCNC(=O)C[C@H]1CC=CCC1 929149111 630385414 /nfs/dbraw/zinc/38/54/14/630385414.db2.gz AHGVZNAKCKRPQA-NSHDSACASA-N 0 0 195.306 2.649 10 0 AFAERN CC/C=C(\C)C(=O)OCc1ccoc1 729889302 630386802 /nfs/dbraw/zinc/38/68/02/630386802.db2.gz KAAMDBPEYIFRED-RUDMXATFSA-N 0 0 194.230 2.679 10 0 AFAERN CCCCNC(=O)C[C@@H]1CC=CCC1 929149110 630387707 /nfs/dbraw/zinc/38/77/07/630387707.db2.gz AHGVZNAKCKRPQA-LLVKDONJSA-N 0 0 195.306 2.649 10 0 AFAERN CC/C=C(/C)C(=O)OCc1ccoc1 729889303 630388046 /nfs/dbraw/zinc/38/80/46/630388046.db2.gz KAAMDBPEYIFRED-WTKPLQERSA-N 0 0 194.230 2.679 10 0 AFAERN CCCCOC(=O)c1occc1C 106148900 630398164 /nfs/dbraw/zinc/39/81/64/630398164.db2.gz BKSIQGUTMXMCEO-UHFFFAOYSA-N 0 0 182.219 2.545 10 0 AFAERN COc1cccc2c1C(C)(C)CC2=O 84768409 524201249 /nfs/dbraw/zinc/20/12/49/524201249.db2.gz LAIJMXMJMRQDSH-UHFFFAOYSA-N 0 0 190.242 2.559 10 0 AFAERN C[C@H]1CCC[C@H](Nc2nncs2)C1 69965809 524210426 /nfs/dbraw/zinc/21/04/26/524210426.db2.gz ZAPPQJRPBWJVFH-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1ccc(C)c2c1O[C@@H](C)CN2C 62521222 524217465 /nfs/dbraw/zinc/21/74/65/524217465.db2.gz DTRZWOPEYXEEQR-JTQLQIEISA-N 0 0 191.274 2.521 10 0 AFAERN Cc1ccc(C)c2c1O[C@H](C)CN2C 62521226 524217783 /nfs/dbraw/zinc/21/77/83/524217783.db2.gz DTRZWOPEYXEEQR-SNVBAGLBSA-N 0 0 191.274 2.521 10 0 AFAERN CCCOC(=O)C(C)(C)C1CCC1 322753195 630456526 /nfs/dbraw/zinc/45/65/26/630456526.db2.gz DSXBUHKOIRPXTF-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C[C@]1(c2nc(C3CC3)no2)C=CCC1 923801666 630507026 /nfs/dbraw/zinc/50/70/26/630507026.db2.gz PYWUECJVXVXBAM-NSHDSACASA-N 0 0 190.246 2.555 10 0 AFAERN CC1(c2nc(C3CC3)no2)CC=CC1 923801699 630508093 /nfs/dbraw/zinc/50/80/93/630508093.db2.gz QKVNUTWLASXWEE-UHFFFAOYSA-N 0 0 190.246 2.555 10 0 AFAERN C[C@@]1(c2nc(C3CC3)no2)C=CCC1 923801664 630508211 /nfs/dbraw/zinc/50/82/11/630508211.db2.gz PYWUECJVXVXBAM-LLVKDONJSA-N 0 0 190.246 2.555 10 0 AFAERN Cc1cc(C)c2c(c1)O[C@@H](C)CN2C 62521245 524346249 /nfs/dbraw/zinc/34/62/49/524346249.db2.gz FYHDGYZVBLPBCS-JTQLQIEISA-N 0 0 191.274 2.521 10 0 AFAERN Cc1cc(C)c2c(c1)O[C@H](C)CN2C 62521240 524346662 /nfs/dbraw/zinc/34/66/62/524346662.db2.gz FYHDGYZVBLPBCS-SNVBAGLBSA-N 0 0 191.274 2.521 10 0 AFAERN CC(C)(C)c1cc([C@H]2CCCO2)no1 901392955 630747248 /nfs/dbraw/zinc/74/72/48/630747248.db2.gz AHHNVSTYJLFNER-SECBINFHSA-N 0 0 195.262 2.824 10 0 AFAERN CCCC(=O)c1cc(C2CC2)no1 901393122 630747278 /nfs/dbraw/zinc/74/72/78/630747278.db2.gz AYSFIIPDNVGTCW-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN CC(C)(C)c1cc([C@@H]2CCCO2)no1 901392958 630747029 /nfs/dbraw/zinc/74/70/29/630747029.db2.gz AHHNVSTYJLFNER-VIFPVBQESA-N 0 0 195.262 2.824 10 0 AFAERN C/C=C/c1cc([C@H]2CCCO2)no1 901392974 630747192 /nfs/dbraw/zinc/74/71/92/630747192.db2.gz AJIJCYPMEWDWSV-XCRNYIDWSA-N 0 0 179.219 2.559 10 0 AFAERN O=C(c1cc(C2CC2)no1)C1CCC1 901394657 630747294 /nfs/dbraw/zinc/74/72/94/630747294.db2.gz FPWGHHWGMDHECF-UHFFFAOYSA-N 0 0 191.230 2.535 10 0 AFAERN C/C=C\c1cc([C@@H]2CCCO2)no1 901392970 630747332 /nfs/dbraw/zinc/74/73/32/630747332.db2.gz AJIJCYPMEWDWSV-GQPNGRKGSA-N 0 0 179.219 2.559 10 0 AFAERN CCOCOc1cccc(C)c1F 232331291 630747361 /nfs/dbraw/zinc/74/73/61/630747361.db2.gz HFWFHSAZUHLDQH-UHFFFAOYSA-N 0 0 184.210 2.507 10 0 AFAERN c1c(C2CC2)noc1[C@H]1CCCCO1 901397461 630747477 /nfs/dbraw/zinc/74/74/77/630747477.db2.gz YNQRLUJFKCHTCF-SNVBAGLBSA-N 0 0 193.246 2.794 10 0 AFAERN C/C=C/c1cc([C@@H]2CCCO2)no1 901392975 630747560 /nfs/dbraw/zinc/74/75/60/630747560.db2.gz AJIJCYPMEWDWSV-YWNRKNDBSA-N 0 0 179.219 2.559 10 0 AFAERN C/C=C\c1cc([C@H]2CCCO2)no1 901392972 630747637 /nfs/dbraw/zinc/74/76/37/630747637.db2.gz AJIJCYPMEWDWSV-WUWIAWFRSA-N 0 0 179.219 2.559 10 0 AFAERN Cc1cnnc(N[C@H](C)CC(C)C)c1 232597186 630748992 /nfs/dbraw/zinc/74/89/92/630748992.db2.gz CMECFHBWLJPYJZ-SNVBAGLBSA-N 0 0 193.294 2.632 10 0 AFAERN O=C1CCC[C@H]([C@H]2CCCC(=O)C2)C1 34597001 630749114 /nfs/dbraw/zinc/74/91/14/630749114.db2.gz JIHBKNQNJPSQFS-UWVGGRQHSA-N 0 0 194.274 2.505 10 0 AFAERN Cc1cnnc(NCCCC(C)C)c1 232545411 630749123 /nfs/dbraw/zinc/74/91/23/630749123.db2.gz FMOXOWQTVNMGBK-UHFFFAOYSA-N 0 0 193.294 2.633 10 0 AFAERN CCCCSCCOC1CC1 902295141 630749268 /nfs/dbraw/zinc/74/92/68/630749268.db2.gz DFXRQQBLQATDKL-UHFFFAOYSA-N 0 0 174.309 2.699 10 0 AFAERN O=C1CCC[C@@H]([C@@H]2CCCC(=O)C2)C1 34597000 630749854 /nfs/dbraw/zinc/74/98/54/630749854.db2.gz JIHBKNQNJPSQFS-NXEZZACHSA-N 0 0 194.274 2.505 10 0 AFAERN Cc1cnnc(N[C@@H](C)CC(C)C)c1 232632919 630750255 /nfs/dbraw/zinc/75/02/55/630750255.db2.gz CMECFHBWLJPYJZ-JTQLQIEISA-N 0 0 193.294 2.632 10 0 AFAERN CCCCC[C@@](C)(CC)C(=O)NC 34617238 630750285 /nfs/dbraw/zinc/75/02/85/630750285.db2.gz FDFPSNISSMYYDS-LLVKDONJSA-N 0 0 185.311 2.729 10 0 AFAERN CCCCC[C@](C)(CC)C(=O)NC 34617239 630750691 /nfs/dbraw/zinc/75/06/91/630750691.db2.gz FDFPSNISSMYYDS-NSHDSACASA-N 0 0 185.311 2.729 10 0 AFAERN CC(C)=CC(=O)N[C@@H](C(C)C)C1CC1 324046012 630752292 /nfs/dbraw/zinc/75/22/92/630752292.db2.gz SOQUKDSULBLNCK-LBPRGKRZSA-N 0 0 195.306 2.503 10 0 AFAERN CCCCOC(=O)C[C@H](C)CC 164448245 630752476 /nfs/dbraw/zinc/75/24/76/630752476.db2.gz HRKGPXMGJWGLDN-SECBINFHSA-N 0 0 172.268 2.766 10 0 AFAERN CC(C)=CC(=O)N[C@H](C(C)C)C1CC1 324046011 630753015 /nfs/dbraw/zinc/75/30/15/630753015.db2.gz SOQUKDSULBLNCK-GFCCVEGCSA-N 0 0 195.306 2.503 10 0 AFAERN C/C=C\C(=O)N[C@@H](C)c1cccs1 211351470 630757445 /nfs/dbraw/zinc/75/74/45/630757445.db2.gz AXISNWAQEZQSJR-NHLYECAPSA-N 0 0 195.287 2.501 10 0 AFAERN CCCCCC(O)=CC(=O)C1(C)CC1 87364723 630757749 /nfs/dbraw/zinc/75/77/49/630757749.db2.gz UPVVRVXMXKMIPJ-UHFFFAOYSA-N 0 0 196.290 2.895 10 0 AFAERN C=CCOC(=O)[C@H]1CCC[C@@H](C)C1 166471320 630759342 /nfs/dbraw/zinc/75/93/42/630759342.db2.gz DZZZFEZPLWRHPJ-ZJUUUORDSA-N 0 0 182.263 2.542 10 0 AFAERN CCC/C(C)=C\C(=O)OC(C)C 224147685 630760212 /nfs/dbraw/zinc/76/02/12/630760212.db2.gz GOIZTMIJGKULNA-CLFYSBASSA-N 0 0 170.252 2.684 10 0 AFAERN CCCOC(=O)N[C@H](C(C)C)C1CC1 324140137 630761035 /nfs/dbraw/zinc/76/10/35/630761035.db2.gz VLYFBKPOZJXSBQ-SNVBAGLBSA-N 0 0 199.294 2.557 10 0 AFAERN c1ccc(-c2ccc3nc[nH]c3c2)nc1 149584728 630764998 /nfs/dbraw/zinc/76/49/98/630764998.db2.gz NZMUBPXNDVVUDA-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC[C@](C)(NC(=O)OC(C)C)C1CC1 701171047 630765270 /nfs/dbraw/zinc/76/52/70/630765270.db2.gz IWBKZHNZAAWIOY-NSHDSACASA-N 0 0 199.294 2.700 10 0 AFAERN CCCCOC(=O)/C=C\C(C)C 225836966 630766013 /nfs/dbraw/zinc/76/60/13/630766013.db2.gz BEKMMRVHEWAYIX-SREVYHEPSA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)=CC(=O)Oc1cccc(C)c1 32180105 630775638 /nfs/dbraw/zinc/77/56/38/630775638.db2.gz AFJYBJFGJIHYIP-UHFFFAOYSA-N 0 0 190.242 2.867 10 0 AFAERN CCc1noc(CCCC(C)C)n1 351079581 630769965 /nfs/dbraw/zinc/76/99/65/630769965.db2.gz NTIULWIKUCEQMV-UHFFFAOYSA-N 0 0 182.267 2.611 10 0 AFAERN CC(=O)O[C@@H]1CCCCC1(C)C 32135307 630772458 /nfs/dbraw/zinc/77/24/58/630772458.db2.gz LFJYRMIQXASIHQ-SECBINFHSA-N 0 0 170.252 2.518 10 0 AFAERN CCC(=O)Oc1ccc(CC)cc1 32133963 630772877 /nfs/dbraw/zinc/77/28/77/630772877.db2.gz FAUAWUCWCIXSDA-UHFFFAOYSA-N 0 0 178.231 2.564 10 0 AFAERN C/C=C\C(=O)N(CCCCC)C(C)C 228146210 630773106 /nfs/dbraw/zinc/77/31/06/630773106.db2.gz CEAKRWKAGQWEHD-TWGQIWQCSA-N 0 0 197.322 2.990 10 0 AFAERN CC(=O)O[C@H]1CCCCC1(C)C 32135308 630773476 /nfs/dbraw/zinc/77/34/76/630773476.db2.gz LFJYRMIQXASIHQ-VIFPVBQESA-N 0 0 170.252 2.518 10 0 AFAERN CCC[C@@H](C)COC(=O)C(C)C 32218657 630774280 /nfs/dbraw/zinc/77/42/80/630774280.db2.gz VXQWSPZASJTSMH-SECBINFHSA-N 0 0 172.268 2.622 10 0 AFAERN CCCC(=O)O[C@H](C)C1CCCC1 32218903 630774497 /nfs/dbraw/zinc/77/44/97/630774497.db2.gz BNTQWCOUSLXPRO-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN CCCCOC(=O)CCC(C)C 32175688 630774741 /nfs/dbraw/zinc/77/47/41/630774741.db2.gz GXCHOKDJDWRFKG-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN CCCC(=O)O[C@@H](C)C1CCCC1 32218902 630775803 /nfs/dbraw/zinc/77/58/03/630775803.db2.gz BNTQWCOUSLXPRO-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN CCCCC(=O)OCC(C)(C)C 32230147 630775948 /nfs/dbraw/zinc/77/59/48/630775948.db2.gz IOOFSIHULDYXPH-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN CCCC(=O)OC[C@@H](C)CCC 32218656 630776014 /nfs/dbraw/zinc/77/60/14/630776014.db2.gz DBEUZPOZVLFSAV-VIFPVBQESA-N 0 0 172.268 2.766 10 0 AFAERN C#C[C@@H](C)OC(=O)CCC1CCCC1 32176220 630776164 /nfs/dbraw/zinc/77/61/64/630776164.db2.gz WEHCCFDMIBZMBC-SNVBAGLBSA-N 0 0 194.274 2.522 10 0 AFAERN Cc1ccc(C(=O)OC2CCC2)cc1 32175981 630776197 /nfs/dbraw/zinc/77/61/97/630776197.db2.gz WXWIVLGAADZEIV-UHFFFAOYSA-N 0 0 190.242 2.704 10 0 AFAERN C#C[C@H](C)OC(=O)CCC1CCCC1 32176224 630776217 /nfs/dbraw/zinc/77/62/17/630776217.db2.gz WEHCCFDMIBZMBC-JTQLQIEISA-N 0 0 194.274 2.522 10 0 AFAERN CCC[C@H](C)COC(=O)C(C)C 32218658 630776349 /nfs/dbraw/zinc/77/63/49/630776349.db2.gz VXQWSPZASJTSMH-VIFPVBQESA-N 0 0 172.268 2.622 10 0 AFAERN CC(C)=CC(=O)OCC(C)(C)C 32227391 630776368 /nfs/dbraw/zinc/77/63/68/630776368.db2.gz MGZCSGJOSREEPN-UHFFFAOYSA-N 0 0 170.252 2.542 10 0 AFAERN Cc1ccccc1C(=O)OC1CCC1 32176006 630776430 /nfs/dbraw/zinc/77/64/30/630776430.db2.gz DBFKZOIUYMDLIP-UHFFFAOYSA-N 0 0 190.242 2.704 10 0 AFAERN CCCC(=O)OC[C@H](C)CCC 32218655 630776483 /nfs/dbraw/zinc/77/64/83/630776483.db2.gz DBEUZPOZVLFSAV-SECBINFHSA-N 0 0 172.268 2.766 10 0 AFAERN C/C=C/C=C/C(=O)N(C)[C@H](C)CCC 915183468 630777542 /nfs/dbraw/zinc/77/75/42/630777542.db2.gz AOIATEBXHGEBIJ-WGITWOMQSA-N 0 0 195.306 2.766 10 0 AFAERN C/C=C/C=C/C(=O)N(C)[C@@H](C)CCC 915183467 630777924 /nfs/dbraw/zinc/77/79/24/630777924.db2.gz AOIATEBXHGEBIJ-UPUUZEIUSA-N 0 0 195.306 2.766 10 0 AFAERN C/C=C/C=C\C(=O)N(C)[C@@H](C)CCC 915183470 630778692 /nfs/dbraw/zinc/77/86/92/630778692.db2.gz AOIATEBXHGEBIJ-ZOCGMSAUSA-N 0 0 195.306 2.766 10 0 AFAERN CCc1noc([C@@H]2C[C@H]2C2CCC2)n1 351400570 630778622 /nfs/dbraw/zinc/77/86/22/630778622.db2.gz HXSKCGYXWYVGNO-DTWKUNHWSA-N 0 0 192.262 2.536 10 0 AFAERN C/C=C/C=C\C(=O)N(C)[C@H](C)CCC 915183469 630778811 /nfs/dbraw/zinc/77/88/11/630778811.db2.gz AOIATEBXHGEBIJ-YWINHNLISA-N 0 0 195.306 2.766 10 0 AFAERN Cc1nc(C)c(CSCC(C)C)[nH]1 915657258 630779116 /nfs/dbraw/zinc/77/91/16/630779116.db2.gz KDZMALMRJGDAJF-UHFFFAOYSA-N 0 0 198.335 2.916 10 0 AFAERN CC1=NO[C@H](CSC2CCCC2)C1 915653544 630779256 /nfs/dbraw/zinc/77/92/56/630779256.db2.gz ZIIJWAICCVYBHO-VIFPVBQESA-N 0 0 199.319 2.827 10 0 AFAERN CC1=NO[C@@H](CSCC(C)C)C1 915656946 630779343 /nfs/dbraw/zinc/77/93/43/630779343.db2.gz FVBIOHXXQTUFPW-SECBINFHSA-N 0 0 187.308 2.540 10 0 AFAERN O=C1CCC[C@H]([C@@H]2CCCC(=O)C2)C1 34596999 630779475 /nfs/dbraw/zinc/77/94/75/630779475.db2.gz JIHBKNQNJPSQFS-AOOOYVTPSA-N 0 0 194.274 2.505 10 0 AFAERN C[C@@H](Sc1ccccn1)C1CC1 915656956 630780053 /nfs/dbraw/zinc/78/00/53/630780053.db2.gz GDOIKMLCTMPAND-MRVPVSSYSA-N 0 0 179.288 2.972 10 0 AFAERN CC1=NO[C@@H](CSC2CCCC2)C1 915653502 630780140 /nfs/dbraw/zinc/78/01/40/630780140.db2.gz ZIIJWAICCVYBHO-SECBINFHSA-N 0 0 199.319 2.827 10 0 AFAERN Cc1c[nH]nc1CSC1CCCC1 915653357 630780707 /nfs/dbraw/zinc/78/07/07/630780707.db2.gz WPBNDHQAIUPUIE-UHFFFAOYSA-N 0 0 196.319 2.894 10 0 AFAERN CC1=NO[C@H](CSCC(C)C)C1 915656947 630781135 /nfs/dbraw/zinc/78/11/35/630781135.db2.gz FVBIOHXXQTUFPW-VIFPVBQESA-N 0 0 187.308 2.540 10 0 AFAERN CCC(CC)CNc1cc(C)cnn1 232862261 630781139 /nfs/dbraw/zinc/78/11/39/630781139.db2.gz DJCMISSFDXOMKX-UHFFFAOYSA-N 0 0 193.294 2.633 10 0 AFAERN CC(C(=O)OC1CCC1)=C1CCCC1 765948220 630781430 /nfs/dbraw/zinc/78/14/30/630781430.db2.gz CFPFJSBNWLZQII-UHFFFAOYSA-N 0 0 194.274 2.973 10 0 AFAERN Cc1ncc(CSCC(C)C)o1 915657609 630781744 /nfs/dbraw/zinc/78/17/44/630781744.db2.gz UPNFKDQBRDBYJQ-UHFFFAOYSA-N 0 0 185.292 2.872 10 0 AFAERN C[C@H](Sc1ccccn1)C1CC1 915656957 630781990 /nfs/dbraw/zinc/78/19/90/630781990.db2.gz GDOIKMLCTMPAND-QMMMGPOBSA-N 0 0 179.288 2.972 10 0 AFAERN CCn1ccnc1S[C@H](C)C1CC1 916543735 630782277 /nfs/dbraw/zinc/78/22/77/630782277.db2.gz HQYHHENVDNHUKD-MRVPVSSYSA-N 0 0 196.319 2.794 10 0 AFAERN Cc1ccc(NCc2ccoc2)cn1 149821337 630783635 /nfs/dbraw/zinc/78/36/35/630783635.db2.gz IADULMVJGVNVHD-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN CCn1ccnc1S[C@@H](C)C1CC1 916543740 630784629 /nfs/dbraw/zinc/78/46/29/630784629.db2.gz HQYHHENVDNHUKD-QMMMGPOBSA-N 0 0 196.319 2.794 10 0 AFAERN C/C=C/C=C/C(=O)NC(C)(CC)CC 733110463 630785353 /nfs/dbraw/zinc/78/53/53/630785353.db2.gz BQAOUBDZKRVVTB-CPSCNVPRSA-N 0 0 195.306 2.814 10 0 AFAERN Cc1cnc(S[C@H](C)C2CC2)nc1 916708866 630785570 /nfs/dbraw/zinc/78/55/70/630785570.db2.gz AVJPRBUWLCGGGE-MRVPVSSYSA-N 0 0 194.303 2.676 10 0 AFAERN COc1cccc(CSC)c1C 916726616 630786054 /nfs/dbraw/zinc/78/60/54/630786054.db2.gz FYTFWZMVLZPSGY-UHFFFAOYSA-N 0 0 182.288 2.867 10 0 AFAERN CSCc1nc(C(C)C)ns1 916726887 630786273 /nfs/dbraw/zinc/78/62/73/630786273.db2.gz HERMANPNQLCFJY-UHFFFAOYSA-N 0 0 188.321 2.525 10 0 AFAERN C/C=C/C=C\C(=O)NC(C)(CC)CC 733110465 630786556 /nfs/dbraw/zinc/78/65/56/630786556.db2.gz BQAOUBDZKRVVTB-JVXHAKPFSA-N 0 0 195.306 2.814 10 0 AFAERN Cc1cnc(S[C@@H](C)C2CC2)nc1 916708867 630787124 /nfs/dbraw/zinc/78/71/24/630787124.db2.gz AVJPRBUWLCGGGE-QMMMGPOBSA-N 0 0 194.303 2.676 10 0 AFAERN Cc1ccc(S[C@H](C)C2CC2)nn1 917092760 630787554 /nfs/dbraw/zinc/78/75/54/630787554.db2.gz RGEVHCKAYWRQPO-MRVPVSSYSA-N 0 0 194.303 2.676 10 0 AFAERN CC(C)OC(=O)NCC1CCCCC1 126982919 630789281 /nfs/dbraw/zinc/78/92/81/630789281.db2.gz UEBOYVKJOISZEG-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN Cc1c[nH]nc1CS[C@H](C)C(C)C 917117030 630789590 /nfs/dbraw/zinc/78/95/90/630789590.db2.gz RNAMWKCHYILKSL-SECBINFHSA-N 0 0 198.335 2.996 10 0 AFAERN Cc1ccc(S[C@@H](C)C2CC2)nn1 917092761 630790644 /nfs/dbraw/zinc/79/06/44/630790644.db2.gz RGEVHCKAYWRQPO-QMMMGPOBSA-N 0 0 194.303 2.676 10 0 AFAERN Cc1c[nH]nc1CS[C@@H](C)C(C)C 917117031 630790974 /nfs/dbraw/zinc/79/09/74/630790974.db2.gz RNAMWKCHYILKSL-VIFPVBQESA-N 0 0 198.335 2.996 10 0 AFAERN c1c[nH]c(SC2CC3(CCC3)C2)n1 917102729 630791365 /nfs/dbraw/zinc/79/13/65/630791365.db2.gz APDVRFYJSBIJGT-UHFFFAOYSA-N 0 0 194.303 2.835 10 0 AFAERN C[C@H](Sc1ccncc1)C1CC1 917186668 630792080 /nfs/dbraw/zinc/79/20/80/630792080.db2.gz VJXIPHSMXRCPJQ-QMMMGPOBSA-N 0 0 179.288 2.972 10 0 AFAERN CC(=O)CSCC[C@@H]1C[C@H]1C1CC1 917131339 630792103 /nfs/dbraw/zinc/79/21/03/630792103.db2.gz TVRATGWQGYCCDM-MNOVXSKESA-N 0 0 198.331 2.745 10 0 AFAERN CC(C)=CCOC(=O)/C=C(\C)C1CC1 917337125 630792340 /nfs/dbraw/zinc/79/23/40/630792340.db2.gz BXRNFVGZYZIYSX-CSKARUKUSA-N 0 0 194.274 2.852 10 0 AFAERN C[C@H](S[C@H]1CCO[C@H]1C)C1CC1 917350685 630792421 /nfs/dbraw/zinc/79/24/21/630792421.db2.gz KDQIVSVNPGOELH-NRPADANISA-N 0 0 186.320 2.696 10 0 AFAERN c1cn(CC2CCC3(CC2)CC3)cn1 917358872 630792584 /nfs/dbraw/zinc/79/25/84/630792584.db2.gz DUHIBQKTKWAMMR-UHFFFAOYSA-N 0 0 190.290 2.854 10 0 AFAERN CC(=O)CSC1CC2(CCC2)C1 917131409 630792840 /nfs/dbraw/zinc/79/28/40/630792840.db2.gz VTWWHYDPSXNHMN-UHFFFAOYSA-N 0 0 184.304 2.641 10 0 AFAERN CCc1nccn1C1CC2(CCC2)C1 917364171 630792901 /nfs/dbraw/zinc/79/29/01/630792901.db2.gz QWKBGFNZHKZGRJ-UHFFFAOYSA-N 0 0 190.290 2.951 10 0 AFAERN CC(C)=CCOC(=O)/C=C(/C)C1CC1 917337126 630793191 /nfs/dbraw/zinc/79/31/91/630793191.db2.gz BXRNFVGZYZIYSX-NTMALXAHSA-N 0 0 194.274 2.852 10 0 AFAERN CC(=O)CSCCCC(C)(F)F 917131619 630793293 /nfs/dbraw/zinc/79/32/93/630793293.db2.gz ZOTNQVXSWMUGDY-UHFFFAOYSA-N 0 0 196.262 2.744 10 0 AFAERN C[C@H](S[C@@H]1CCO[C@H]1C)C1CC1 917350686 630793336 /nfs/dbraw/zinc/79/33/36/630793336.db2.gz KDQIVSVNPGOELH-OYNCUSHFSA-N 0 0 186.320 2.696 10 0 AFAERN C[C@@H](SC1CCOCC1)C1CC1 917359491 630793709 /nfs/dbraw/zinc/79/37/09/630793709.db2.gz RJAQAHQJEOAQCX-MRVPVSSYSA-N 0 0 186.320 2.697 10 0 AFAERN CCc1c[nH]c(S[C@@H](C)C2CC2)n1 917220308 630793978 /nfs/dbraw/zinc/79/39/78/630793978.db2.gz BSUXBMDXPCZWPI-ZETCQYMHSA-N 0 0 196.319 2.863 10 0 AFAERN CCc1c[nH]c(S[C@H](C)C2CC2)n1 917220302 630794030 /nfs/dbraw/zinc/79/40/30/630794030.db2.gz BSUXBMDXPCZWPI-SSDOTTSWSA-N 0 0 196.319 2.863 10 0 AFAERN C[C@@H]1OCC[C@@H]1S[C@H](C)C1CC1 917350689 630794114 /nfs/dbraw/zinc/79/41/14/630794114.db2.gz KDQIVSVNPGOELH-XKSSXDPKSA-N 0 0 186.320 2.696 10 0 AFAERN Cc1nccn1C1CC2(CCC2)C1 917359437 630794401 /nfs/dbraw/zinc/79/44/01/630794401.db2.gz QKJKKLZNZKCLAX-UHFFFAOYSA-N 0 0 176.263 2.697 10 0 AFAERN C[C@@H](Sc1ccncc1)C1CC1 917186667 630794416 /nfs/dbraw/zinc/79/44/16/630794416.db2.gz VJXIPHSMXRCPJQ-MRVPVSSYSA-N 0 0 179.288 2.972 10 0 AFAERN C[C@H](SC1CCOCC1)C1CC1 917359492 630794623 /nfs/dbraw/zinc/79/46/23/630794623.db2.gz RJAQAHQJEOAQCX-QMMMGPOBSA-N 0 0 186.320 2.697 10 0 AFAERN C[C@@H]1OCC[C@H]1S[C@H](C)C1CC1 917350687 630794787 /nfs/dbraw/zinc/79/47/87/630794787.db2.gz KDQIVSVNPGOELH-QXFUBDJGSA-N 0 0 186.320 2.696 10 0 AFAERN C[C@@H](S[C@@H]1CCCOC1)C1CC1 917435569 630795540 /nfs/dbraw/zinc/79/55/40/630795540.db2.gz SSKIMPKVPOTTCT-PSASIEDQSA-N 0 0 186.320 2.697 10 0 AFAERN CC(C)C(C)(C)S[C@H](C)[C@H](C)O 917560932 630795558 /nfs/dbraw/zinc/79/55/58/630795558.db2.gz DGNFWXYLAXXBIY-DTWKUNHWSA-N 0 0 190.352 2.924 10 0 AFAERN C[C@@H](SC[C@@H]1CCCO1)C1CC1 917551020 630795631 /nfs/dbraw/zinc/79/56/31/630795631.db2.gz AZKVVIDIWIICHL-SCZZXKLOSA-N 0 0 186.320 2.697 10 0 AFAERN C[C@@H](S[C@H]1CCCOC1)C1CC1 917435570 630795769 /nfs/dbraw/zinc/79/57/69/630795769.db2.gz SSKIMPKVPOTTCT-SCZZXKLOSA-N 0 0 186.320 2.697 10 0 AFAERN Cc1coc(S[C@@H](C)C2CC2)n1 917544988 630795934 /nfs/dbraw/zinc/79/59/34/630795934.db2.gz OPFWHJXOPZWSOO-ZETCQYMHSA-N 0 0 183.276 2.874 10 0 AFAERN CC(C)=CCSC[C@@H]1CC(C)=NO1 917576858 630796254 /nfs/dbraw/zinc/79/62/54/630796254.db2.gz FTYYJFNDHACGQK-JTQLQIEISA-N 0 0 199.319 2.851 10 0 AFAERN CC(C)C(C)(C)S[C@@H](C)[C@@H](C)O 917560931 630796294 /nfs/dbraw/zinc/79/62/94/630796294.db2.gz DGNFWXYLAXXBIY-BDAKNGLRSA-N 0 0 190.352 2.924 10 0 AFAERN C[C@H](SC[C@@H]1CCCO1)C1CC1 917551023 630796441 /nfs/dbraw/zinc/79/64/41/630796441.db2.gz AZKVVIDIWIICHL-WPRPVWTQSA-N 0 0 186.320 2.697 10 0 AFAERN Cc1ccc(F)cc1-c1ccon1 203211412 630796482 /nfs/dbraw/zinc/79/64/82/630796482.db2.gz ASPBUDRHQINLKQ-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN CCCN(CC)C(=O)C=C1CCCC1 917656325 630796832 /nfs/dbraw/zinc/79/68/32/630796832.db2.gz AQYMFYDBLYUNJJ-UHFFFAOYSA-N 0 0 195.306 2.745 10 0 AFAERN CC[C@H](CO)SC(C)(C)C(C)C 917563537 630796934 /nfs/dbraw/zinc/79/69/34/630796934.db2.gz WMJODPXHSRFWMS-SECBINFHSA-N 0 0 190.352 2.925 10 0 AFAERN Cc1c[nH]nc1CSCC(C)(C)C 917670121 630796965 /nfs/dbraw/zinc/79/69/65/630796965.db2.gz JMQYHIKFOMNJQT-UHFFFAOYSA-N 0 0 198.335 2.997 10 0 AFAERN C[C@@H](Sc1ncco1)C1CC1 917577839 630796977 /nfs/dbraw/zinc/79/69/77/630796977.db2.gz OXXFGTMFJXNNTF-ZCFIWIBFSA-N 0 0 169.249 2.565 10 0 AFAERN CC(C)C(C)(C)S[C@H](C)[C@@H](C)O 917560934 630797000 /nfs/dbraw/zinc/79/70/00/630797000.db2.gz DGNFWXYLAXXBIY-RKDXNWHRSA-N 0 0 190.352 2.924 10 0 AFAERN C[C@H](S[C@@H]1CCCOC1)C1CC1 917435571 630797172 /nfs/dbraw/zinc/79/71/72/630797172.db2.gz SSKIMPKVPOTTCT-WCBMZHEXSA-N 0 0 186.320 2.697 10 0 AFAERN CC[C@@H](CO)SC(C)(C)C(C)C 917563538 630797392 /nfs/dbraw/zinc/79/73/92/630797392.db2.gz WMJODPXHSRFWMS-VIFPVBQESA-N 0 0 190.352 2.925 10 0 AFAERN CC(C)C(C)(C)S[C@@H](C)[C@H](C)O 917560933 630797417 /nfs/dbraw/zinc/79/74/17/630797417.db2.gz DGNFWXYLAXXBIY-IUCAKERBSA-N 0 0 190.352 2.924 10 0 AFAERN C[C@H](SC[C@H]1CCCO1)C1CC1 917551021 630797512 /nfs/dbraw/zinc/79/75/12/630797512.db2.gz AZKVVIDIWIICHL-WCBMZHEXSA-N 0 0 186.320 2.697 10 0 AFAERN C[C@@H](SC[C@H]1CCCO1)C1CC1 917551017 630797746 /nfs/dbraw/zinc/79/77/46/630797746.db2.gz AZKVVIDIWIICHL-PSASIEDQSA-N 0 0 186.320 2.697 10 0 AFAERN C[C@H](S[C@H]1CCCOC1)C1CC1 917435572 630798046 /nfs/dbraw/zinc/79/80/46/630798046.db2.gz SSKIMPKVPOTTCT-WPRPVWTQSA-N 0 0 186.320 2.697 10 0 AFAERN Cc1coc(S[C@H](C)C2CC2)n1 917544987 630798092 /nfs/dbraw/zinc/79/80/92/630798092.db2.gz OPFWHJXOPZWSOO-SSDOTTSWSA-N 0 0 183.276 2.874 10 0 AFAERN CC(C)=CCSC[C@H]1CC(C)=NO1 917576859 630798195 /nfs/dbraw/zinc/79/81/95/630798195.db2.gz FTYYJFNDHACGQK-SNVBAGLBSA-N 0 0 199.319 2.851 10 0 AFAERN CC[C@@H]1C[C@H]1CSc1cccnn1 917435217 630798288 /nfs/dbraw/zinc/79/82/88/630798288.db2.gz NZQUTYRGPXSCIE-BDAKNGLRSA-N 0 0 194.303 2.615 10 0 AFAERN C[C@H](Sc1ncco1)C1CC1 917577837 630798346 /nfs/dbraw/zinc/79/83/46/630798346.db2.gz OXXFGTMFJXNNTF-LURJTMIESA-N 0 0 169.249 2.565 10 0 AFAERN c1cc(CCSC2CCC2)sn1 917783607 630798775 /nfs/dbraw/zinc/79/87/75/630798775.db2.gz HVGNMCNNBZUDHY-UHFFFAOYSA-N 0 0 199.344 2.971 10 0 AFAERN CCCC(C)(C)CC(=O)N1CC=CC1 910016278 630798855 /nfs/dbraw/zinc/79/88/55/630798855.db2.gz RNQXDXVOPORGGO-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN C1CC(SC[C@H]2C[C@]23CCOC3)C1 917785268 630798925 /nfs/dbraw/zinc/79/89/25/630798925.db2.gz WHLQOHKQKSIMHA-KOLCDFICSA-N 0 0 198.331 2.699 10 0 AFAERN C[C@H](O)CSCCCC(C)(F)F 917842875 630798978 /nfs/dbraw/zinc/79/89/78/630798978.db2.gz JTCPVGBIIAYVFS-ZETCQYMHSA-N 0 0 198.278 2.536 10 0 AFAERN Cc1nc(S[C@H](C)C2CC2)[nH]c1C 917764872 630799520 /nfs/dbraw/zinc/79/95/20/630799520.db2.gz CLPQOVXMKPLRID-MRVPVSSYSA-N 0 0 196.319 2.917 10 0 AFAERN Cc1ncc(CSC2CCC2)o1 917783333 630799543 /nfs/dbraw/zinc/79/95/43/630799543.db2.gz CFYAXLIJQUVXES-UHFFFAOYSA-N 0 0 183.276 2.769 10 0 AFAERN CCCCCSC[C@@H](O)C1CC1 840757754 630799646 /nfs/dbraw/zinc/79/96/46/630799646.db2.gz SLIJYZWGBLRTMA-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CC/C=C(\C)C(=O)N(C)CCC(C)C 917802297 630799665 /nfs/dbraw/zinc/79/96/65/630799665.db2.gz FGCQVKLCMFEKMH-YRNVUSSQSA-N 0 0 197.322 2.847 10 0 AFAERN CC(C)c1noc(C2(C)CC=CC2)n1 923759101 630799735 /nfs/dbraw/zinc/79/97/35/630799735.db2.gz FCGJKQMQCSMGPG-UHFFFAOYSA-N 0 0 192.262 2.801 10 0 AFAERN CC/C=C(/C)C(=O)N(C)CCC(C)C 917802295 630799906 /nfs/dbraw/zinc/79/99/06/630799906.db2.gz FGCQVKLCMFEKMH-XFFZJAGNSA-N 0 0 197.322 2.847 10 0 AFAERN C1CC(SC[C@H]2C[C@@]23CCOC3)C1 917785269 630800082 /nfs/dbraw/zinc/80/00/82/630800082.db2.gz WHLQOHKQKSIMHA-MWLCHTKSSA-N 0 0 198.331 2.699 10 0 AFAERN C[C@@H](O)CSCCCC(C)(F)F 917842874 630800137 /nfs/dbraw/zinc/80/01/37/630800137.db2.gz JTCPVGBIIAYVFS-SSDOTTSWSA-N 0 0 198.278 2.536 10 0 AFAERN C1CC(SC[C@@H]2C[C@]23CCOC3)C1 917785270 630800310 /nfs/dbraw/zinc/80/03/10/630800310.db2.gz WHLQOHKQKSIMHA-ONGXEEELSA-N 0 0 198.331 2.699 10 0 AFAERN CCCCCSC[C@H](O)C1CC1 840757728 630800595 /nfs/dbraw/zinc/80/05/95/630800595.db2.gz SLIJYZWGBLRTMA-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN Cc1nc(S[C@@H](C)C2CC2)[nH]c1C 917764873 630800949 /nfs/dbraw/zinc/80/09/49/630800949.db2.gz CLPQOVXMKPLRID-QMMMGPOBSA-N 0 0 196.319 2.917 10 0 AFAERN CCC[C@@H](CC)OC(=O)CC 150212859 630802585 /nfs/dbraw/zinc/80/25/85/630802585.db2.gz GYZCKXAOGZSSCT-MRVPVSSYSA-N 0 0 158.241 2.518 10 0 AFAERN C[C@@H](SCCC(C)(C)O)C1CC1 918003956 630803055 /nfs/dbraw/zinc/80/30/55/630803055.db2.gz HWNAXUGJFURYIA-MRVPVSSYSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1cccc(C(=O)OC2CCC2)c1 32176028 630803335 /nfs/dbraw/zinc/80/33/35/630803335.db2.gz YEIVCBOAULAPEE-UHFFFAOYSA-N 0 0 190.242 2.704 10 0 AFAERN C[C@H](SCCC(C)(C)O)C1CC1 918003957 630803634 /nfs/dbraw/zinc/80/36/34/630803634.db2.gz HWNAXUGJFURYIA-QMMMGPOBSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1ccc(OC(=O)OC(C)C)cc1 150329247 630804357 /nfs/dbraw/zinc/80/43/57/630804357.db2.gz PPUSNAQXBMAWHT-UHFFFAOYSA-N 0 0 194.230 2.919 10 0 AFAERN CCc1nnc(S[C@@H](C)C2CC2)o1 918715037 630806774 /nfs/dbraw/zinc/80/67/74/630806774.db2.gz SHLHOUWVLIYGAM-LURJTMIESA-N 0 0 198.291 2.523 10 0 AFAERN CCc1nnc(S[C@H](C)C2CC2)o1 918715038 630807612 /nfs/dbraw/zinc/80/76/12/630807612.db2.gz SHLHOUWVLIYGAM-ZCFIWIBFSA-N 0 0 198.291 2.523 10 0 AFAERN FCCOc1cccc(C(F)F)c1 919500278 630811061 /nfs/dbraw/zinc/81/10/61/630811061.db2.gz AZPWNCYZNIITBH-UHFFFAOYSA-N 0 0 190.164 2.973 10 0 AFAERN CCC/C=C\COC(=O)[C@H](C)CC 33838368 630812850 /nfs/dbraw/zinc/81/28/50/630812850.db2.gz SXJKRFLZGRFPBD-GQYWMQPJSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(\C)C(=O)OC/C=C\CCC 33838370 630811767 /nfs/dbraw/zinc/81/17/67/630811767.db2.gz UEDNMMNLPZRYMI-GBLFQTLVSA-N 0 0 182.263 2.852 10 0 AFAERN CCC/C=C\COC(=O)[C@@H](C)CC 33838367 630812243 /nfs/dbraw/zinc/81/22/43/630812243.db2.gz SXJKRFLZGRFPBD-DMEOUFDRSA-N 0 0 184.279 2.932 10 0 AFAERN CCC1(CNC(=O)OC(C)C)CCC1 232925629 630812537 /nfs/dbraw/zinc/81/25/37/630812537.db2.gz QZDXXDOJEQNUTI-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN C/C=C(\C)C(=O)OC/C=C/CCC 33838570 630813096 /nfs/dbraw/zinc/81/30/96/630813096.db2.gz UEDNMMNLPZRYMI-LZIZUESTSA-N 0 0 182.263 2.852 10 0 AFAERN CCSc1nccc(C(C)(C)C)n1 920052699 630813146 /nfs/dbraw/zinc/81/31/46/630813146.db2.gz MPQRKSUEJBDFTM-UHFFFAOYSA-N 0 0 196.319 2.886 10 0 AFAERN CC/C=C\COC(=O)CCCC 33842534 630813672 /nfs/dbraw/zinc/81/36/72/630813672.db2.gz OOOOZEUSWYVZBU-ALCCZGGFSA-N 0 0 170.252 2.686 10 0 AFAERN CCC/C(C)=C\C(=O)N(CC)C1CC1 920217291 630814227 /nfs/dbraw/zinc/81/42/27/630814227.db2.gz GSUHFQLXFQWMKG-KTKRTIGZSA-N 0 0 195.306 2.744 10 0 AFAERN CCC/C(C)=C\C(=O)NCC(C)(C)C 920224457 630814462 /nfs/dbraw/zinc/81/44/62/630814462.db2.gz FZKYXPQCEJNGPN-NTMALXAHSA-N 0 0 197.322 2.895 10 0 AFAERN CCC(C)(C)CNC(=O)OC(C)C 232929999 630814484 /nfs/dbraw/zinc/81/44/84/630814484.db2.gz UXUUDCYPCLVXQL-UHFFFAOYSA-N 0 0 187.283 2.557 10 0 AFAERN CCCC1(CNC(=O)OC(C)C)CC1 232931071 630814924 /nfs/dbraw/zinc/81/49/24/630814924.db2.gz ZUYIJXBDYNREJK-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CCC/C(C)=C/C(=O)N(C)CC(C)C 920217760 630815201 /nfs/dbraw/zinc/81/52/01/630815201.db2.gz BPZAGBXZLMVRRH-DHZHZOJOSA-N 0 0 197.322 2.847 10 0 AFAERN CCC/C(C)=C/C(=O)NCCC(C)C 920213842 630815962 /nfs/dbraw/zinc/81/59/62/630815962.db2.gz BPVGEPVNVKTXJT-PKNBQFBNSA-N 0 0 197.322 2.895 10 0 AFAERN CCC/C(C)=C\C(=O)N(C)CC(C)C 920217762 630816050 /nfs/dbraw/zinc/81/60/50/630816050.db2.gz BPZAGBXZLMVRRH-FLIBITNWSA-N 0 0 197.322 2.847 10 0 AFAERN CCC/C(C)=C/C(=O)NCC(C)(C)C 920224456 630816116 /nfs/dbraw/zinc/81/61/16/630816116.db2.gz FZKYXPQCEJNGPN-CSKARUKUSA-N 0 0 197.322 2.895 10 0 AFAERN CCC/C(C)=C/C(=O)N(CC)CCC 920218350 630816619 /nfs/dbraw/zinc/81/66/19/630816619.db2.gz FBXPHUUJJCXOKT-ZHACJKMWSA-N 0 0 197.322 2.991 10 0 AFAERN CCC/C(C)=C\C(=O)NCCC(C)C 920213841 630816635 /nfs/dbraw/zinc/81/66/35/630816635.db2.gz BPVGEPVNVKTXJT-LUAWRHEFSA-N 0 0 197.322 2.895 10 0 AFAERN CCC/C(C)=C\C(=O)N(CC)CCC 920218349 630816726 /nfs/dbraw/zinc/81/67/26/630816726.db2.gz FBXPHUUJJCXOKT-KHPPLWFESA-N 0 0 197.322 2.991 10 0 AFAERN CCC/C(C)=C/C(=O)N(CC)C1CC1 920217293 630816770 /nfs/dbraw/zinc/81/67/70/630816770.db2.gz GSUHFQLXFQWMKG-MDZDMXLPSA-N 0 0 195.306 2.744 10 0 AFAERN CC(C)=CCOC(=O)C[C@@H](C)C1CC1 920723963 630817790 /nfs/dbraw/zinc/81/77/90/630817790.db2.gz GFKBJJNFBVRGAO-SNVBAGLBSA-N 0 0 196.290 2.932 10 0 AFAERN CCC/C=C\C(=O)N1CCCCCC1 920395583 630817858 /nfs/dbraw/zinc/81/78/58/630817858.db2.gz CWNDTKPDARXPGB-TWGQIWQCSA-N 0 0 195.306 2.745 10 0 AFAERN CC(C)c1noc([C@]2(C)C=CCC2)n1 923761382 630818185 /nfs/dbraw/zinc/81/81/85/630818185.db2.gz QKDXVRLPXLOZNW-LLVKDONJSA-N 0 0 192.262 2.801 10 0 AFAERN CCC/C=C\C(=O)N(C)C1CCCC1 920441912 630818488 /nfs/dbraw/zinc/81/84/88/630818488.db2.gz BZSNAIPFBWIDFY-YHYXMXQVSA-N 0 0 195.306 2.744 10 0 AFAERN CCC/C=C/C(=O)N(C)C1CCCC1 920441910 630818761 /nfs/dbraw/zinc/81/87/61/630818761.db2.gz BZSNAIPFBWIDFY-BJMVGYQFSA-N 0 0 195.306 2.744 10 0 AFAERN CC(C)=CCOC(=O)C[C@H](C)C1CC1 920723962 630818798 /nfs/dbraw/zinc/81/87/98/630818798.db2.gz GFKBJJNFBVRGAO-JTQLQIEISA-N 0 0 196.290 2.932 10 0 AFAERN CCC/C=C/C(=O)N1CCCCCC1 920395582 630818850 /nfs/dbraw/zinc/81/88/50/630818850.db2.gz CWNDTKPDARXPGB-RMKNXTFCSA-N 0 0 195.306 2.745 10 0 AFAERN CC(C)c1noc([C@@]2(C)C=CCC2)n1 923761384 630819255 /nfs/dbraw/zinc/81/92/55/630819255.db2.gz QKDXVRLPXLOZNW-NSHDSACASA-N 0 0 192.262 2.801 10 0 AFAERN CCc1ccccc1OC(=O)C1CC1 912713370 630821561 /nfs/dbraw/zinc/82/15/61/630821561.db2.gz VAEDAEGZFLOBMK-UHFFFAOYSA-N 0 0 190.242 2.564 10 0 AFAERN CCC(C)(C)CNc1cc(C)cnn1 233012556 630823769 /nfs/dbraw/zinc/82/37/69/630823769.db2.gz KYOXYVRRUAKGIT-UHFFFAOYSA-N 0 0 193.294 2.633 10 0 AFAERN CCC[C@@H](CC)Nc1cc(C)cnn1 233288950 630823817 /nfs/dbraw/zinc/82/38/17/630823817.db2.gz VAUQTPZCYCOIBF-SNVBAGLBSA-N 0 0 193.294 2.776 10 0 AFAERN CCCCOC(=O)c1ccoc1CC 232975165 630824383 /nfs/dbraw/zinc/82/43/83/630824383.db2.gz AHLHOKNYWMAJJD-UHFFFAOYSA-N 0 0 196.246 2.799 10 0 AFAERN CCC[C@H](CC)Nc1cc(C)cnn1 233348153 630828090 /nfs/dbraw/zinc/82/80/90/630828090.db2.gz VAUQTPZCYCOIBF-JTQLQIEISA-N 0 0 193.294 2.776 10 0 AFAERN C/C=C/C=C\C(=O)N1CCCC[C@H]1C 913419043 630829496 /nfs/dbraw/zinc/82/94/96/630829496.db2.gz HKLOXKLGWYYNRJ-MDSYRTPQSA-N 0 0 193.290 2.520 10 0 AFAERN C/C=C/C=C/C(=O)N1CCCC[C@H]1C 913419042 630829272 /nfs/dbraw/zinc/82/92/72/630829272.db2.gz HKLOXKLGWYYNRJ-DKHWSBQMSA-N 0 0 193.290 2.520 10 0 AFAERN CCC[C@H]1C[C@H]1Nc1nccs1 233440734 630829413 /nfs/dbraw/zinc/82/94/13/630829413.db2.gz HSYOVJOUGVVWNP-JGVFFNPUSA-N 0 0 182.292 2.744 10 0 AFAERN CC/C=C\COC(=O)c1ccccc1 44709904 630832060 /nfs/dbraw/zinc/83/20/60/630832060.db2.gz CSDCIXOZTUVBQA-CLTKARDFSA-N 0 0 190.242 2.810 10 0 AFAERN CCc1cnc(-c2cncs2)s1 164765531 630835170 /nfs/dbraw/zinc/83/51/70/630835170.db2.gz BJAJWGAYASESLE-UHFFFAOYSA-N 0 0 196.300 2.829 10 0 AFAERN CC[C@@H](C)Cc1[nH]nc(N)c1C(C)C 164399308 630835610 /nfs/dbraw/zinc/83/56/10/630835610.db2.gz YUIXIJLOKNWFCP-MRVPVSSYSA-N 0 0 195.310 2.704 10 0 AFAERN C/C=C/C=C\[C@@H](O)Cc1ccccc1 222401188 630835719 /nfs/dbraw/zinc/83/57/19/630835719.db2.gz YHPLTTZRAFLXQD-OPPUALANSA-N 0 0 188.270 2.722 10 0 AFAERN CC(C)C1=C[C@@H]2CCC[C@@H]12 222339893 630835812 /nfs/dbraw/zinc/83/58/12/630835812.db2.gz IOGDQRKNZKNYGN-DTWKUNHWSA-N 0 0 136.238 2.999 10 0 AFAERN CCCc1c(N)n[nH]c1C[C@@H](C)CC 164398829 630836038 /nfs/dbraw/zinc/83/60/38/630836038.db2.gz FZFOOBXJBNFYQV-QMMMGPOBSA-N 0 0 195.310 2.533 10 0 AFAERN CC(C)C1=C[C@@H]2CCC[C@H]12 222339842 630836120 /nfs/dbraw/zinc/83/61/20/630836120.db2.gz IOGDQRKNZKNYGN-IUCAKERBSA-N 0 0 136.238 2.999 10 0 AFAERN CC[C@H](C)Cc1[nH]nc(N)c1C(C)C 164399425 630836129 /nfs/dbraw/zinc/83/61/29/630836129.db2.gz YUIXIJLOKNWFCP-QMMMGPOBSA-N 0 0 195.310 2.704 10 0 AFAERN C1=CCC[C@H]2C[C@@H]2C=C1 222337742 630836684 /nfs/dbraw/zinc/83/66/84/630836684.db2.gz PEFROSYSFIJWPM-IUCAKERBSA-N 0 0 120.195 2.529 10 0 AFAERN CCCCOC(=O)C[C@@H](C)CC 164448112 630836951 /nfs/dbraw/zinc/83/69/51/630836951.db2.gz HRKGPXMGJWGLDN-VIFPVBQESA-N 0 0 172.268 2.766 10 0 AFAERN CCCc1c(N)n[nH]c1C[C@H](C)CC 164398934 630837116 /nfs/dbraw/zinc/83/71/16/630837116.db2.gz FZFOOBXJBNFYQV-MRVPVSSYSA-N 0 0 195.310 2.533 10 0 AFAERN C=C(OCC)c1ccc(C(C)=O)cc1 136163299 630837167 /nfs/dbraw/zinc/83/71/67/630837167.db2.gz FAGIYQOUVXJCGF-UHFFFAOYSA-N 0 0 190.242 2.896 10 0 AFAERN CCCCSC1CCOCC1 199507263 630837450 /nfs/dbraw/zinc/83/74/50/630837450.db2.gz HUMCXXGZKVSQPV-UHFFFAOYSA-N 0 0 174.309 2.699 10 0 AFAERN CCCCCCn1cc(F)ccc1=O 71516335 630837535 /nfs/dbraw/zinc/83/75/35/630837535.db2.gz GGOZFDRUWHSTLO-UHFFFAOYSA-N 0 0 197.253 2.568 10 0 AFAERN CCN(CC)Cc1ncc(C(C)C)o1 733304769 630838520 /nfs/dbraw/zinc/83/85/20/630838520.db2.gz RQYVIZJXMFZYJX-UHFFFAOYSA-N 0 0 196.294 2.640 10 0 AFAERN CCCCSCCSC 165072556 630838971 /nfs/dbraw/zinc/83/89/71/630838971.db2.gz ASZGEHYACPSPDY-UHFFFAOYSA-N 0 0 164.339 2.883 10 0 AFAERN CCCCOC(=O)[C@@H]1CCC[C@@H]1C 82212067 630839086 /nfs/dbraw/zinc/83/90/86/630839086.db2.gz ZQJIZKSESCSFLX-VHSXEESVSA-N 0 0 184.279 2.766 10 0 AFAERN CC1=CCCN(c2cccc(C)n2)C1 334769949 524540102 /nfs/dbraw/zinc/54/01/02/524540102.db2.gz AVYJFBBDQOAZTB-UHFFFAOYSA-N 0 0 188.274 2.546 10 0 AFAERN Cn1ccc2cc(NC3CC3)ccc21 82710804 630843030 /nfs/dbraw/zinc/84/30/30/630843030.db2.gz SWWDBVNEEIFFII-UHFFFAOYSA-N 0 0 186.258 2.753 10 0 AFAERN CC(C)OC(=O)N[C@@H](C(C)C)C1CC1 323816111 630843573 /nfs/dbraw/zinc/84/35/73/630843573.db2.gz CHBGBGZYRZOBAV-JTQLQIEISA-N 0 0 199.294 2.556 10 0 AFAERN CC(C)OC(=O)N[C@H](C(C)C)C1CC1 323816113 630843792 /nfs/dbraw/zinc/84/37/92/630843792.db2.gz CHBGBGZYRZOBAV-SNVBAGLBSA-N 0 0 199.294 2.556 10 0 AFAERN CCCOC(=O)[C@H](C)CC(C)C 165977237 630844413 /nfs/dbraw/zinc/84/44/13/630844413.db2.gz GNRABPZIROWQJL-SECBINFHSA-N 0 0 172.268 2.622 10 0 AFAERN C=CC[C@@H]1CC(=O)CC[C@H]1CC 224517434 630845894 /nfs/dbraw/zinc/84/58/94/630845894.db2.gz NDCHMCLJPCIXCA-NXEZZACHSA-N 0 0 166.264 2.958 10 0 AFAERN CCc1noc(CC[C@H](C)CC)n1 349602451 630844634 /nfs/dbraw/zinc/84/46/34/630844634.db2.gz AMFPDSUXFBWCMD-MRVPVSSYSA-N 0 0 182.267 2.611 10 0 AFAERN C=CC[C@H]1CC(=O)CC[C@@H]1CC 224517387 630846053 /nfs/dbraw/zinc/84/60/53/630846053.db2.gz NDCHMCLJPCIXCA-UWVGGRQHSA-N 0 0 166.264 2.958 10 0 AFAERN C=CC[C@@H]1CC(=O)CC[C@@H]1CC 224517483 630846333 /nfs/dbraw/zinc/84/63/33/630846333.db2.gz NDCHMCLJPCIXCA-VHSXEESVSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1cc(OCC(C)C)ccc1C=O 83224052 630847439 /nfs/dbraw/zinc/84/74/39/630847439.db2.gz UPSKPPJHAMGQQJ-UHFFFAOYSA-N 0 0 192.258 2.842 10 0 AFAERN CC(C)CC(=O)OC[C@@H]1CC=CCC1 166920597 630847880 /nfs/dbraw/zinc/84/78/80/630847880.db2.gz YFUNOTHLYQAYMO-LLVKDONJSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)C(=O)OC[C@H]1CC=CCC1 166920745 630847900 /nfs/dbraw/zinc/84/79/00/630847900.db2.gz AODAHPNNCNMSFZ-JTQLQIEISA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)=CC(=O)OC[C@@H]1CC=CCC1 166921139 630847910 /nfs/dbraw/zinc/84/79/10/630847910.db2.gz DYWXDXIAZQYIFJ-LLVKDONJSA-N 0 0 194.274 2.852 10 0 AFAERN CC(C)CC(=O)OC[C@H]1CC=CCC1 166920487 630848022 /nfs/dbraw/zinc/84/80/22/630848022.db2.gz YFUNOTHLYQAYMO-NSHDSACASA-N 0 0 196.290 2.932 10 0 AFAERN CCC[C@@H](C)C(=O)OCC1CC=CC1 225909175 630849168 /nfs/dbraw/zinc/84/91/68/630849168.db2.gz IHTIKFJAYNUPBO-SNVBAGLBSA-N 0 0 196.290 2.932 10 0 AFAERN CCC[C@H](C)C(=O)OCC1CC=CC1 225909196 630849235 /nfs/dbraw/zinc/84/92/35/630849235.db2.gz IHTIKFJAYNUPBO-JTQLQIEISA-N 0 0 196.290 2.932 10 0 AFAERN C/C=C(\C)COC(=O)c1ccsc1 226275447 630850381 /nfs/dbraw/zinc/85/03/81/630850381.db2.gz GMTHHIWTNDULBQ-FPYGCLRLSA-N 0 0 196.271 2.871 10 0 AFAERN C/C=C(/C)COC(=O)c1ccsc1 226275453 630850484 /nfs/dbraw/zinc/85/04/84/630850484.db2.gz GMTHHIWTNDULBQ-BAQGIRSFSA-N 0 0 196.271 2.871 10 0 AFAERN CCC[C@@H]1C=C[C@@](C)(O)CC1 167947638 630851652 /nfs/dbraw/zinc/85/16/52/630851652.db2.gz JHFOKSMPHAQIAN-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CCC[C@@H]1C=C[C@](C)(O)CC1 167947522 630851658 /nfs/dbraw/zinc/85/16/58/630851658.db2.gz JHFOKSMPHAQIAN-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CCC(=O)Oc1ccccc1CC 59184024 630852398 /nfs/dbraw/zinc/85/23/98/630852398.db2.gz KIVADAVXBAEDOL-UHFFFAOYSA-N 0 0 178.231 2.564 10 0 AFAERN CC/C=C(\C)C(=O)NCCCC1CC1 736050028 630852744 /nfs/dbraw/zinc/85/27/44/630852744.db2.gz XKMWGSQNLVCGAB-BJMVGYQFSA-N 0 0 195.306 2.649 10 0 AFAERN CCc1nn([C@@H](C)CC)c(CC)c1N 168475575 630852917 /nfs/dbraw/zinc/85/29/17/630852917.db2.gz NSVVZGTYKZHHGC-QMMMGPOBSA-N 0 0 195.310 2.561 10 0 AFAERN CCc1nn([C@H](C)CC)c(CC)c1N 168475664 630854933 /nfs/dbraw/zinc/85/49/33/630854933.db2.gz NSVVZGTYKZHHGC-MRVPVSSYSA-N 0 0 195.310 2.561 10 0 AFAERN CC/C=C(/C)C(=O)NCCCC1CC1 736050041 630853431 /nfs/dbraw/zinc/85/34/31/630853431.db2.gz XKMWGSQNLVCGAB-YHYXMXQVSA-N 0 0 195.306 2.649 10 0 AFAERN CCC(CC)OC(=O)C(C)(C)C 168626624 630853618 /nfs/dbraw/zinc/85/36/18/630853618.db2.gz IALRKFAVOGKFOE-UHFFFAOYSA-N 0 0 172.268 2.764 10 0 AFAERN COC(=O)Oc1ccc(SC)cc1 59661018 630855564 /nfs/dbraw/zinc/85/55/64/630855564.db2.gz FDMKCPSWFCMGEB-UHFFFAOYSA-N 0 0 198.243 2.554 10 0 AFAERN C/C=C/COC(=O)C(C)(C)CC 59497152 630855996 /nfs/dbraw/zinc/85/59/96/630855996.db2.gz FAWJDIZIAPDTGS-FNORWQNLSA-N 0 0 170.252 2.542 10 0 AFAERN CCCC(=O)O[C@@H](CC)CCC 168989038 630856905 /nfs/dbraw/zinc/85/69/05/630856905.db2.gz RCEHZMJZHHUGOL-VIFPVBQESA-N 0 0 172.268 2.908 10 0 AFAERN CCC(=O)O[C@H]1CCCC[C@H]1CC 169048593 630856941 /nfs/dbraw/zinc/85/69/41/630856941.db2.gz SRRFZBHANZUHJW-ZJUUUORDSA-N 0 0 184.279 2.908 10 0 AFAERN CCCN(CC)c1ccnc(Cl)c1 227685834 630856949 /nfs/dbraw/zinc/85/69/49/630856949.db2.gz GVQMQPCHHRCHQA-UHFFFAOYSA-N 0 0 198.697 2.971 10 0 AFAERN C/C=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1C 228142315 630861819 /nfs/dbraw/zinc/86/18/19/630861819.db2.gz FSARUWJXQNUYFV-LEOBQNDHSA-N 0 0 195.306 2.600 10 0 AFAERN CCc1noc([C@@H]2CCC(C)(C)C2)n1 349881701 630857163 /nfs/dbraw/zinc/85/71/63/630857163.db2.gz HUYXQOGLTRKPHX-MRVPVSSYSA-N 0 0 194.278 2.926 10 0 AFAERN O=C1CCC=Cc2ccccc21 196731724 630857203 /nfs/dbraw/zinc/85/72/03/630857203.db2.gz WKJSBFXJGZJVET-UHFFFAOYSA-N 0 0 158.200 2.676 10 0 AFAERN CCC(=O)O[C@H]1CCCC[C@@H]1CC 169048663 630857229 /nfs/dbraw/zinc/85/72/29/630857229.db2.gz SRRFZBHANZUHJW-UWVGGRQHSA-N 0 0 184.279 2.908 10 0 AFAERN CCc1noc([C@H]2CCC(C)(C)C2)n1 349881703 630857390 /nfs/dbraw/zinc/85/73/90/630857390.db2.gz HUYXQOGLTRKPHX-QMMMGPOBSA-N 0 0 194.278 2.926 10 0 AFAERN CCCC(=O)O[C@H](CC)CCC 168988957 630857693 /nfs/dbraw/zinc/85/76/93/630857693.db2.gz RCEHZMJZHHUGOL-SECBINFHSA-N 0 0 172.268 2.908 10 0 AFAERN CC[C@@H](C)NC(=O)/C=C/C(C)(C)C 253467674 630859948 /nfs/dbraw/zinc/85/99/48/630859948.db2.gz ZZMCIJYSMPLUGI-FCZSHJHJSA-N 0 0 183.295 2.503 10 0 AFAERN O=C(/C=C/C1CC1)Nc1ccccc1 253462780 630859976 /nfs/dbraw/zinc/85/99/76/630859976.db2.gz LDIMKVMOFLCGKH-CMDGGOBGSA-N 0 0 187.242 2.591 10 0 AFAERN CCC/C=C/C(=O)Oc1ccccc1 59560912 630860044 /nfs/dbraw/zinc/86/00/44/630860044.db2.gz BAIDYELTXTXJOA-BJMVGYQFSA-N 0 0 190.242 2.948 10 0 AFAERN CCCCN(C)C(=O)/C=C/C(C)(C)C 253466728 630860442 /nfs/dbraw/zinc/86/04/42/630860442.db2.gz XGEPUSRXVHBOHB-CMDGGOBGSA-N 0 0 197.322 2.847 10 0 AFAERN CC(C)(C)/C=C/C(=O)NC1CCCC1 253467566 630860697 /nfs/dbraw/zinc/86/06/97/630860697.db2.gz ZVJCACJFFNGVJO-CMDGGOBGSA-N 0 0 195.306 2.648 10 0 AFAERN CCCCNC(=O)/C=C/C(C)(C)C 253461877 630860721 /nfs/dbraw/zinc/86/07/21/630860721.db2.gz JOPRKLSBUKRUGJ-BQYQJAHWSA-N 0 0 183.295 2.505 10 0 AFAERN CCCCN(C)C(=O)/C=C(\C)CC 253455464 630860809 /nfs/dbraw/zinc/86/08/09/630860809.db2.gz AABMVDXMEOJEHC-MDZDMXLPSA-N 0 0 183.295 2.601 10 0 AFAERN CCCCCNC(=O)/C=C/C(C)(C)C 253465540 630860862 /nfs/dbraw/zinc/86/08/62/630860862.db2.gz VDNUXHTZWKAIKK-CMDGGOBGSA-N 0 0 197.322 2.895 10 0 AFAERN CCCN(CCC)C(=O)/C=C/C1CC1 253463317 630861104 /nfs/dbraw/zinc/86/11/04/630861104.db2.gz NVIMOWBRRRWWJI-BQYQJAHWSA-N 0 0 195.306 2.601 10 0 AFAERN CC[C@H](C)NC(=O)/C=C/C(C)(C)C 253467675 630861272 /nfs/dbraw/zinc/86/12/72/630861272.db2.gz ZZMCIJYSMPLUGI-FLOXNTQESA-N 0 0 183.295 2.503 10 0 AFAERN C/C=C\C(=O)N(C)CC1CCCCC1 228155915 630861745 /nfs/dbraw/zinc/86/17/45/630861745.db2.gz AZLNITVKZOHMIT-CLTKARDFSA-N 0 0 195.306 2.601 10 0 AFAERN Cc1cncc(-c2cccc(C=O)c2)c1 227963571 630861946 /nfs/dbraw/zinc/86/19/46/630861946.db2.gz IAKIHDLYOQWTNR-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN C/C=C\C(=O)N(CC)C1CCCCC1 228133959 630862401 /nfs/dbraw/zinc/86/24/01/630862401.db2.gz FOQHUQVLUPQJFN-BAQGIRSFSA-N 0 0 195.306 2.744 10 0 AFAERN C=CC[C@@]1(O)C=C[C@H](C(C)C)CC1 198708739 630868507 /nfs/dbraw/zinc/86/85/07/630868507.db2.gz XLBDEEDQOAGSGH-NWDGAFQWSA-N 0 0 180.291 2.916 10 0 AFAERN C=CC[C@@]1(O)C=C[C@@H](C(C)C)CC1 198708752 630869023 /nfs/dbraw/zinc/86/90/23/630869023.db2.gz XLBDEEDQOAGSGH-VXGBXAGGSA-N 0 0 180.291 2.916 10 0 AFAERN CC(C)C(=O)OCCCC(C)(F)F 922174041 630869639 /nfs/dbraw/zinc/86/96/39/630869639.db2.gz FKZADMGDNWETRU-UHFFFAOYSA-N 0 0 194.221 2.621 10 0 AFAERN CCCC(=O)OCCCC(C)(F)F 922175819 630869827 /nfs/dbraw/zinc/86/98/27/630869827.db2.gz MMEKRJYLCNPZEV-UHFFFAOYSA-N 0 0 194.221 2.765 10 0 AFAERN CC(C)(C)C(=O)C=C(O)C1CCCC1 61442237 630870435 /nfs/dbraw/zinc/87/04/35/630870435.db2.gz RRTHRWSHWOUDED-UHFFFAOYSA-N 0 0 196.290 2.751 10 0 AFAERN CCCC(O)=CC(=O)C1CCCC1 61442271 630871028 /nfs/dbraw/zinc/87/10/28/630871028.db2.gz AXDNRSYGPUUSMZ-UHFFFAOYSA-N 0 0 182.263 2.505 10 0 AFAERN C/C=C/C=C/C(=O)O[C@@H](C)C(C)C 198813472 630872070 /nfs/dbraw/zinc/87/20/70/630872070.db2.gz KEBQTRUAENGEHV-DOYBTKHBSA-N 0 0 182.263 2.706 10 0 AFAERN C/C=C/C=C/C(=O)O[C@H](C)C(C)C 198813491 630872203 /nfs/dbraw/zinc/87/22/03/630872203.db2.gz KEBQTRUAENGEHV-YEHZPGOWSA-N 0 0 182.263 2.706 10 0 AFAERN C[C@H]1CN(C)c2ccc(Cl)cc2N1 76927843 524568377 /nfs/dbraw/zinc/56/83/77/524568377.db2.gz NJHCWPOQKPPZFY-ZETCQYMHSA-N 0 0 196.681 2.590 10 0 AFAERN CC(C)OC(=O)NC[C@@H]1CC[C@H](C)C1 230414779 630876373 /nfs/dbraw/zinc/87/63/73/630876373.db2.gz PEGNPDYIRQSHAH-VHSXEESVSA-N 0 0 199.294 2.557 10 0 AFAERN CCN(CC1CCC1)C(=O)OC(C)C 230310126 630876729 /nfs/dbraw/zinc/87/67/29/630876729.db2.gz VJVWULLDLYNFIJ-UHFFFAOYSA-N 0 0 199.294 2.653 10 0 AFAERN CC(C)OC(=O)NC[C@H]1CC[C@H](C)C1 230414780 630877059 /nfs/dbraw/zinc/87/70/59/630877059.db2.gz PEGNPDYIRQSHAH-UWVGGRQHSA-N 0 0 199.294 2.557 10 0 AFAERN C[C@H]1CN(C)c2cccc(Cl)c2O1 62522349 524569584 /nfs/dbraw/zinc/56/95/84/524569584.db2.gz UNJSUDQKMCVNHI-ZETCQYMHSA-N 0 0 197.665 2.557 10 0 AFAERN CC(C)OC(=O)NC[C@H]1CC[C@@H](C)C1 230414777 630877269 /nfs/dbraw/zinc/87/72/69/630877269.db2.gz PEGNPDYIRQSHAH-ZJUUUORDSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)OC(=O)NC[C@@H]1CC[C@@H](C)C1 230414776 630878885 /nfs/dbraw/zinc/87/88/85/630878885.db2.gz PEGNPDYIRQSHAH-NXEZZACHSA-N 0 0 199.294 2.557 10 0 AFAERN CCC[C@H](C)COC(=O)C=C(C)C 230626503 630879450 /nfs/dbraw/zinc/87/94/50/630879450.db2.gz GWLJUFYIQMBWFI-JTQLQIEISA-N 0 0 184.279 2.932 10 0 AFAERN CC(C)OC(=O)NC[C@@H]1CCC[C@@H]1C 230668535 630880208 /nfs/dbraw/zinc/88/02/08/630880208.db2.gz ZSWPUWAWCGDIDE-UWVGGRQHSA-N 0 0 199.294 2.557 10 0 AFAERN CC(=O)OCc1ccc(Cl)cc1C 230536696 630880214 /nfs/dbraw/zinc/88/02/14/630880214.db2.gz CPWCILOWXPJJHN-UHFFFAOYSA-N 0 0 198.649 2.712 10 0 AFAERN CCC[C@@H](C)COC(=O)C=C(C)C 230626494 630880286 /nfs/dbraw/zinc/88/02/86/630880286.db2.gz GWLJUFYIQMBWFI-SNVBAGLBSA-N 0 0 184.279 2.932 10 0 AFAERN CC(C)OC(=O)NC[C@@H]1CCC[C@H]1C 230668543 630880917 /nfs/dbraw/zinc/88/09/17/630880917.db2.gz ZSWPUWAWCGDIDE-ZJUUUORDSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)=CC(=O)Oc1cccc(F)c1 230624358 630881231 /nfs/dbraw/zinc/88/12/31/630881231.db2.gz UGUIATKKSTWJDB-UHFFFAOYSA-N 0 0 194.205 2.697 10 0 AFAERN CC(C)OC(=O)NC[C@H]1CCC[C@@H]1C 230668539 630881627 /nfs/dbraw/zinc/88/16/27/630881627.db2.gz ZSWPUWAWCGDIDE-VHSXEESVSA-N 0 0 199.294 2.557 10 0 AFAERN CCCOC(=O)Oc1ccccc1F 230466637 630882041 /nfs/dbraw/zinc/88/20/41/630882041.db2.gz GPQMRIUQAUIPPZ-UHFFFAOYSA-N 0 0 198.193 2.751 10 0 AFAERN CC(C)CCC(=O)OCC(F)(F)F 230482984 630882093 /nfs/dbraw/zinc/88/20/93/630882093.db2.gz URZZSEIXZJZOCG-UHFFFAOYSA-N 0 0 198.184 2.528 10 0 AFAERN CC(C)OC(=O)NC[C@H]1CCC[C@H]1C 230668547 630882303 /nfs/dbraw/zinc/88/23/03/630882303.db2.gz ZSWPUWAWCGDIDE-NXEZZACHSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)OC(=O)C1(C2CC2)CCC1 923332963 630894214 /nfs/dbraw/zinc/89/42/14/630894214.db2.gz OVASPOVIYSLOCP-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN CCC(C)(CC)NC(=O)OC(C)C 230956125 630887454 /nfs/dbraw/zinc/88/74/54/630887454.db2.gz USYCWXQCAGZWPG-UHFFFAOYSA-N 0 0 187.283 2.700 10 0 AFAERN CC(C)=CC(=O)NC[C@]1(C)CC1(C)C 702006691 630888282 /nfs/dbraw/zinc/88/82/82/630888282.db2.gz VGRFHSBSMUXYTH-LBPRGKRZSA-N 0 0 195.306 2.505 10 0 AFAERN COC(=O)/C=C1/CCC[C@H](C(C)C)C1 231006264 630888556 /nfs/dbraw/zinc/88/85/56/630888556.db2.gz GMVFTDJVABQRNZ-IEHMKBBKSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)(C)C(=O)NC[C@@]1(C)CC1(C)C 701994624 630888572 /nfs/dbraw/zinc/88/85/72/630888572.db2.gz VDZXMKFTQRSTFY-GFCCVEGCSA-N 0 0 197.322 2.585 10 0 AFAERN CCC[C@H](C)COC(=O)c1ccco1 231181219 630889109 /nfs/dbraw/zinc/88/91/09/630889109.db2.gz UEKUSUXMYHSUFB-VIFPVBQESA-N 0 0 196.246 2.873 10 0 AFAERN CC(C)(C)C(=O)NC[C@]1(C)CC1(C)C 701994625 630889130 /nfs/dbraw/zinc/88/91/30/630889130.db2.gz VDZXMKFTQRSTFY-LBPRGKRZSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)=CC(=O)NC[C@@]1(C)CC1(C)C 702006689 630889291 /nfs/dbraw/zinc/88/92/91/630889291.db2.gz VGRFHSBSMUXYTH-GFCCVEGCSA-N 0 0 195.306 2.505 10 0 AFAERN CCCCN(C)C(=O)/C=C(/C)CC 822371315 630889405 /nfs/dbraw/zinc/88/94/05/630889405.db2.gz AABMVDXMEOJEHC-KTKRTIGZSA-N 0 0 183.295 2.601 10 0 AFAERN CC[C@@H](C)OC(=O)C1(C2CC2)CCC1 923337619 630892751 /nfs/dbraw/zinc/89/27/51/630892751.db2.gz OXDUWBWWDJIGMK-SECBINFHSA-N 0 0 196.290 2.908 10 0 AFAERN CC[C@H](C)OC(=O)C1(C2CC2)CCC1 923337621 630892818 /nfs/dbraw/zinc/89/28/18/630892818.db2.gz OXDUWBWWDJIGMK-VIFPVBQESA-N 0 0 196.290 2.908 10 0 AFAERN O=C(OCC1CC1)C1(C2CC2)CCC1 923336721 630893174 /nfs/dbraw/zinc/89/31/74/630893174.db2.gz IYDKOJXIWGGGOZ-UHFFFAOYSA-N 0 0 194.274 2.520 10 0 AFAERN C/C=C\COC(=O)C1(C2CC2)CCC1 923335196 630893488 /nfs/dbraw/zinc/89/34/88/630893488.db2.gz MRINMFINFQZEGH-IHWYPQMZSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)COC(=O)C1(C2CC2)CCC1 923334657 630894138 /nfs/dbraw/zinc/89/41/38/630894138.db2.gz XFWOGWVWVVFCHQ-UHFFFAOYSA-N 0 0 196.290 2.766 10 0 AFAERN CCCOC(=O)C1(C2CC2)CCC1 923332080 630895148 /nfs/dbraw/zinc/89/51/48/630895148.db2.gz GYGGDPBJZMVRSJ-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN C/C=C/COC(=O)C1(C2CC2)CCC1 923335197 630895253 /nfs/dbraw/zinc/89/52/53/630895253.db2.gz MRINMFINFQZEGH-NSCUHMNNSA-N 0 0 194.274 2.686 10 0 AFAERN CCC(=O)O[C@@H](C)C1CCCCC1 102334877 630905329 /nfs/dbraw/zinc/90/53/29/630905329.db2.gz PASCUIBUVYICPN-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN CCCC(O)=C(C)C(=O)C1CCCC1 387469339 630905550 /nfs/dbraw/zinc/90/55/50/630905550.db2.gz SAUKLFVMPJOVOS-SECBINFHSA-N 0 0 196.290 2.751 10 0 AFAERN CCC1(C(=O)Oc2ccccc2)CC1 749341104 630907292 /nfs/dbraw/zinc/90/72/92/630907292.db2.gz VEDKYZRQSWYWGA-UHFFFAOYSA-N 0 0 190.242 2.782 10 0 AFAERN C/C=C(/C)C(=O)N(CCC)C(C)(C)C 770599923 630915297 /nfs/dbraw/zinc/91/52/97/630915297.db2.gz CMPIEQJBQPPZFW-NTMALXAHSA-N 0 0 197.322 2.990 10 0 AFAERN C/C=C(\C)C(=O)N(CCC)C(C)(C)C 770599921 630915484 /nfs/dbraw/zinc/91/54/84/630915484.db2.gz CMPIEQJBQPPZFW-CSKARUKUSA-N 0 0 197.322 2.990 10 0 AFAERN CCC/C=C\C(=O)OC[C@H](C)C1CC1 789612670 630920360 /nfs/dbraw/zinc/92/03/60/630920360.db2.gz VDMCQAJXIOSPDJ-OMMCCPJFSA-N 0 0 196.290 2.932 10 0 AFAERN C/C=C(/CC)C(=O)N(CCC)C1CC1 789637655 630918590 /nfs/dbraw/zinc/91/85/90/630918590.db2.gz BKNAVMJLEHXZNI-YHYXMXQVSA-N 0 0 195.306 2.744 10 0 AFAERN C[C@H](COC(=O)/C=C\C1CC1)C1CC1 789606283 630918761 /nfs/dbraw/zinc/91/87/61/630918761.db2.gz FURDMSALOOOUEI-WQAKUFEDSA-N 0 0 194.274 2.542 10 0 AFAERN C[C@@H](COC(=O)C1(C)CCC1)C1CC1 789608112 630918832 /nfs/dbraw/zinc/91/88/32/630918832.db2.gz RLEOZEIURBUFBB-VIFPVBQESA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H](COC(=O)C=C1CCC1)C1CC1 789609043 630918852 /nfs/dbraw/zinc/91/88/52/630918852.db2.gz MUUZZXDEIZPHJS-VIFPVBQESA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)(C)/C=C\C(=O)OCC1(C)CC1 790808051 630918864 /nfs/dbraw/zinc/91/88/64/630918864.db2.gz OQZHJZVXINMGDM-WAYWQWQTSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)[C@@H](C)C(=O)OC[C@H](C)C1CC1 789608216 630918872 /nfs/dbraw/zinc/91/88/72/630918872.db2.gz SGTZFWHUWVDHDE-VHSXEESVSA-N 0 0 198.306 2.868 10 0 AFAERN C/C=C(\CC)C(=O)NC1(CC)CCC1 789647047 630918936 /nfs/dbraw/zinc/91/89/36/630918936.db2.gz FJFLJPYLJQGYHY-ONNFQVAWSA-N 0 0 195.306 2.792 10 0 AFAERN CC1(COC(=O)C2CCCCC2)CC1 790807996 630918954 /nfs/dbraw/zinc/91/89/54/630918954.db2.gz NEOVFJSCTKQFKN-UHFFFAOYSA-N 0 0 196.290 2.910 10 0 AFAERN C/C=C(\CC)C(=O)N(CCC)C1CC1 789637652 630919209 /nfs/dbraw/zinc/91/92/09/630919209.db2.gz BKNAVMJLEHXZNI-BJMVGYQFSA-N 0 0 195.306 2.744 10 0 AFAERN C[C@@H](COC(=O)[C@H](C)C1CC1)C1CC1 789615468 630919254 /nfs/dbraw/zinc/91/92/54/630919254.db2.gz SQRADZUALBHDAN-DTWKUNHWSA-N 0 0 196.290 2.622 10 0 AFAERN C/C=C(/CC)C(=O)NCC1(C)CCC1 789653816 630919282 /nfs/dbraw/zinc/91/92/82/630919282.db2.gz IXUBCLCLSPFBDT-WMZJFQQLSA-N 0 0 195.306 2.649 10 0 AFAERN CCC/C=C/C(=O)OC[C@H](C)C1CC1 789612672 630919337 /nfs/dbraw/zinc/91/93/37/630919337.db2.gz VDMCQAJXIOSPDJ-PORFMDCZSA-N 0 0 196.290 2.932 10 0 AFAERN C[C@@H](COC(=O)/C=C/C1CC1)C1CC1 789606280 630919350 /nfs/dbraw/zinc/91/93/50/630919350.db2.gz FURDMSALOOOUEI-IYNCYZAOSA-N 0 0 194.274 2.542 10 0 AFAERN Cc1ccc(OC(=O)C(C)C)cc1F 789659335 630919444 /nfs/dbraw/zinc/91/94/44/630919444.db2.gz BRKOHIBOZUNVGT-UHFFFAOYSA-N 0 0 196.221 2.696 10 0 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/nfs/dbraw/zinc/99/71/90/630997190.db2.gz UGALVHNYRJINAH-FZPLPXEFSA-N 0 0 195.306 2.503 10 0 AFAERN CC/C=C(\F)C(=O)N1CCC[C@@H](C)C1 864405954 631006240 /nfs/dbraw/zinc/00/62/40/631006240.db2.gz UPLSZKDDBJMOND-JRZFIGEHSA-N 0 0 199.269 2.508 10 0 AFAERN C/C=C/CNC(=O)/C=C(/C)C(C)(C)C 863112995 631004690 /nfs/dbraw/zinc/00/46/90/631004690.db2.gz IWNNYBJXWKOPKF-KQHSAVHASA-N 0 0 195.306 2.671 10 0 AFAERN C/C=C/CNC(=O)/C=C(\C)C(C)(C)C 863112992 631004748 /nfs/dbraw/zinc/00/47/48/631004748.db2.gz IWNNYBJXWKOPKF-AVQMFFATSA-N 0 0 195.306 2.671 10 0 AFAERN C/C=C\CNC(=O)/C=C(/C)C(C)(C)C 863112993 631004968 /nfs/dbraw/zinc/00/49/68/631004968.db2.gz IWNNYBJXWKOPKF-HZJYTTRNSA-N 0 0 195.306 2.671 10 0 AFAERN C/C=C\CNC(=O)/C=C(\C)C(C)(C)C 863112994 631004993 /nfs/dbraw/zinc/00/49/93/631004993.db2.gz IWNNYBJXWKOPKF-IXWMQOLASA-N 0 0 195.306 2.671 10 0 AFAERN CC/C=C(/F)C(=O)N1CCCCCC1 864380498 631005440 /nfs/dbraw/zinc/00/54/40/631005440.db2.gz BYUJSLUFENLQQM-JXMROGBWSA-N 0 0 199.269 2.652 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1nc(C2CC2)cs1 864368988 631005508 /nfs/dbraw/zinc/00/55/08/631005508.db2.gz RSWSFHBZRHIPFA-SVRRBLITSA-N 0 0 194.303 2.841 10 0 AFAERN CC/C=C(/F)C(=O)N1CCC[C@H](C)C1 864405957 631005814 /nfs/dbraw/zinc/00/58/14/631005814.db2.gz UPLSZKDDBJMOND-UMYFRRCYSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(/F)C(=O)NCCCCC 864386639 631005826 /nfs/dbraw/zinc/00/58/26/631005826.db2.gz GPEZOTHKLDTIIZ-VQHVLOKHSA-N 0 0 187.258 2.556 10 0 AFAERN CC/C=C(\F)C(=O)NC1CCCCC1 864394900 631005871 /nfs/dbraw/zinc/00/58/71/631005871.db2.gz GOJKMPCKFJRCAG-POHAHGRESA-N 0 0 199.269 2.699 10 0 AFAERN C[C@@H]1C[C@H]1Nc1nc(C2CC2)cs1 864368986 631006191 /nfs/dbraw/zinc/00/61/91/631006191.db2.gz RSWSFHBZRHIPFA-HTRCEHHLSA-N 0 0 194.303 2.841 10 0 AFAERN CC1=C(C(C)(C)C)N2CCN=C2S1 864369123 631006203 /nfs/dbraw/zinc/00/62/03/631006203.db2.gz RIKYCZQTOUDSPZ-UHFFFAOYSA-N 0 0 196.319 2.682 10 0 AFAERN CC/C=C(\F)C(=O)NCCCCC 864386638 631006283 /nfs/dbraw/zinc/00/62/83/631006283.db2.gz GPEZOTHKLDTIIZ-CLFYSBASSA-N 0 0 187.258 2.556 10 0 AFAERN CC/C=C(/F)C(=O)N1CCC[C@@H](C)C1 864405956 631006292 /nfs/dbraw/zinc/00/62/92/631006292.db2.gz UPLSZKDDBJMOND-RAJVOEEQSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(/F)C(=O)NC1CCCCC1 864394901 631006305 /nfs/dbraw/zinc/00/63/05/631006305.db2.gz GOJKMPCKFJRCAG-UXBLZVDNSA-N 0 0 199.269 2.699 10 0 AFAERN C[C@H]1C[C@@H]1Nc1nc(C2CC2)cs1 864368989 631006327 /nfs/dbraw/zinc/00/63/27/631006327.db2.gz RSWSFHBZRHIPFA-XPUUQOCRSA-N 0 0 194.303 2.841 10 0 AFAERN CC/C=C(\F)C(=O)N1CCCCCC1 864380499 631006487 /nfs/dbraw/zinc/00/64/87/631006487.db2.gz BYUJSLUFENLQQM-YFHOEESVSA-N 0 0 199.269 2.652 10 0 AFAERN CC/C=C(\F)C(=O)N1CCC[C@H](C)C1 864405955 631006491 /nfs/dbraw/zinc/00/64/91/631006491.db2.gz UPLSZKDDBJMOND-QFQXNISHSA-N 0 0 199.269 2.508 10 0 AFAERN CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C 864384895 631006618 /nfs/dbraw/zinc/00/66/18/631006618.db2.gz HUGHUHNNQHOOBO-OPRDCNLKSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@H]1C[C@H]1Nc1nc(C2CC2)cs1 864368987 631006632 /nfs/dbraw/zinc/00/66/32/631006632.db2.gz RSWSFHBZRHIPFA-POYBYMJQSA-N 0 0 194.303 2.841 10 0 AFAERN CCCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C 864410909 631006753 /nfs/dbraw/zinc/00/67/53/631006753.db2.gz WZMZQLFCVNZBSF-NXEZZACHSA-N 0 0 197.322 2.585 10 0 AFAERN COCc1nc(C(C)(C)C)c(C)s1 864367286 631006882 /nfs/dbraw/zinc/00/68/82/631006882.db2.gz RRAMRVREIRQYAT-UHFFFAOYSA-N 0 0 199.319 2.895 10 0 AFAERN Cc1ccnc(N[C@H](C)C(C)(C)C)n1 133146816 631013603 /nfs/dbraw/zinc/01/36/03/631013603.db2.gz UDFXPKHRGKNMMK-SECBINFHSA-N 0 0 193.294 2.632 10 0 AFAERN Cc1ccc(-c2cccc(C=O)c2)nc1 219404929 631016082 /nfs/dbraw/zinc/01/60/82/631016082.db2.gz YZFQCCKGKUNDCG-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCCc1ccc(OC(=O)OC)cc1 221374074 631018243 /nfs/dbraw/zinc/01/82/43/631018243.db2.gz DEUUSQHILLEIFU-UHFFFAOYSA-N 0 0 194.230 2.784 10 0 AFAERN CCNc1cc2ccccc2[nH]1 139402212 631019681 /nfs/dbraw/zinc/01/96/81/631019681.db2.gz OMFLEOWHTQAHEE-UHFFFAOYSA-N 0 0 160.220 2.600 10 0 AFAERN c1ccc2c(c1)CCN2Cc1ccoc1 139495570 631020178 /nfs/dbraw/zinc/02/01/78/631020178.db2.gz LNMKBQKUSPGFEZ-UHFFFAOYSA-N 0 0 199.253 2.842 10 0 AFAERN CC(C)=CC(=O)N[C@H](C)C1CCCC1 300743215 631024920 /nfs/dbraw/zinc/02/49/20/631024920.db2.gz GGRIRMDHFFWHPA-SNVBAGLBSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)=CC(=O)N[C@@H](C)C1CCCC1 300743214 631026260 /nfs/dbraw/zinc/02/62/60/631026260.db2.gz GGRIRMDHFFWHPA-JTQLQIEISA-N 0 0 195.306 2.648 10 0 AFAERN CCCC[C@H](C)c1nn(C)c(N)c1C 301003874 631026304 /nfs/dbraw/zinc/02/63/04/631026304.db2.gz YLZPZNKHOPMZDR-QMMMGPOBSA-N 0 0 195.310 2.604 10 0 AFAERN CC(C)=CC(=O)N1CCCCCCC1 300752505 631026402 /nfs/dbraw/zinc/02/64/02/631026402.db2.gz HUJWQDHJHGNNEZ-UHFFFAOYSA-N 0 0 195.306 2.745 10 0 AFAERN CCCCOC(=O)C1(C)CC=CC1 924199438 631029138 /nfs/dbraw/zinc/02/91/38/631029138.db2.gz RQLVDQKXKHBTGX-UHFFFAOYSA-N 0 0 182.263 2.686 10 0 AFAERN CC(C)COC(=O)C1(C)CC=CC1 924196675 631029359 /nfs/dbraw/zinc/02/93/59/631029359.db2.gz OZCOLDJRPBMTMP-UHFFFAOYSA-N 0 0 182.263 2.542 10 0 AFAERN CC1(C(=O)OCCC2CC2)CC=CC1 924202283 631030545 /nfs/dbraw/zinc/03/05/45/631030545.db2.gz ZRILOYKMNBWJNN-UHFFFAOYSA-N 0 0 194.274 2.686 10 0 AFAERN O=C(C[C@@H]1CC=CCC1)OCC1CC1 924242463 631030666 /nfs/dbraw/zinc/03/06/66/631030666.db2.gz CNNLRLRHUNWAHN-SNVBAGLBSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)=CCOC(=O)C1(C)CC=CC1 924202440 631030704 /nfs/dbraw/zinc/03/07/04/631030704.db2.gz SFXFNSQUAOLZEQ-UHFFFAOYSA-N 0 0 194.274 2.852 10 0 AFAERN CC(C)OC(=O)C[C@H]1CC=CCC1 924245961 631030710 /nfs/dbraw/zinc/03/07/10/631030710.db2.gz ORTNPXKPWUOXJE-JTQLQIEISA-N 0 0 182.263 2.684 10 0 AFAERN O=C(C[C@H]1CC=CCC1)OCC1CC1 924242460 631031182 /nfs/dbraw/zinc/03/11/82/631031182.db2.gz CNNLRLRHUNWAHN-JTQLQIEISA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)OC(=O)C[C@@H]1CC=CCC1 924245962 631031284 /nfs/dbraw/zinc/03/12/84/631031284.db2.gz ORTNPXKPWUOXJE-SNVBAGLBSA-N 0 0 182.263 2.684 10 0 AFAERN O=C(OCC1CCC1)[C@@]12CCC[C@@H]1C2 924432189 631032581 /nfs/dbraw/zinc/03/25/81/631032581.db2.gz GZTAIACFPUDXPE-ZYHUDNBSSA-N 0 0 194.274 2.520 10 0 AFAERN CC(C)COC(=O)[C@]1(C)C=CCC1 924410135 631033374 /nfs/dbraw/zinc/03/33/74/631033374.db2.gz NRMGHAAIRSSRQW-LLVKDONJSA-N 0 0 182.263 2.542 10 0 AFAERN CC[C@@H](C)OC(=O)[C@@]12CCC[C@@H]1C2 924431689 631033691 /nfs/dbraw/zinc/03/36/91/631033691.db2.gz APQCZXLCVRAGQZ-FXPVBKGRSA-N 0 0 182.263 2.518 10 0 AFAERN CC[C@H](C)OC(=O)[C@@]12CCC[C@@H]1C2 924431690 631033790 /nfs/dbraw/zinc/03/37/90/631033790.db2.gz APQCZXLCVRAGQZ-IQJOONFLSA-N 0 0 182.263 2.518 10 0 AFAERN CCCCC1(C(=O)OC(C)C)CC1 924427722 631033920 /nfs/dbraw/zinc/03/39/20/631033920.db2.gz NNOHZNHHUJSFSM-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)COC(=O)[C@@]1(C)C=CCC1 924410136 631033961 /nfs/dbraw/zinc/03/39/61/631033961.db2.gz NRMGHAAIRSSRQW-NSHDSACASA-N 0 0 182.263 2.542 10 0 AFAERN Cc1cccc(N[C@H]2CCCOC2)c1 70011197 524697063 /nfs/dbraw/zinc/69/70/63/524697063.db2.gz UJWLZXIKIBIGEU-LBPRGKRZSA-N 0 0 191.274 2.586 10 0 AFAERN C[C@H]1CNc2cc(Cl)ccc2N1C 76637106 524700531 /nfs/dbraw/zinc/70/05/31/524700531.db2.gz FPHAFSWOLKKJKZ-ZETCQYMHSA-N 0 0 196.681 2.590 10 0 AFAERN C[C@H]1CNc2ccc(Cl)cc2N1C 76637101 524701578 /nfs/dbraw/zinc/70/15/78/524701578.db2.gz HCNJYZCSOCNCSF-ZETCQYMHSA-N 0 0 196.681 2.590 10 0 AFAERN CSCOc1ccccc1C(C)=O 34266095 631061116 /nfs/dbraw/zinc/06/11/16/631061116.db2.gz ARZRXLSVJNJGBU-UHFFFAOYSA-N 0 0 196.271 2.589 10 0 AFAERN C=CCOC(=O)[C@@H](C)c1ccccc1 34618768 631070198 /nfs/dbraw/zinc/07/01/98/631070198.db2.gz ARVLMXWUBDEBCM-JTQLQIEISA-N 0 0 190.242 2.519 10 0 AFAERN CCCCCNC(=O)[C@@]1(C)C=CCC1 929105985 631082028 /nfs/dbraw/zinc/08/20/28/631082028.db2.gz URTPXWHLJPBMAD-LBPRGKRZSA-N 0 0 195.306 2.649 10 0 AFAERN CC1(CCC(=O)N2CCCCC2)CC1 929095686 631079466 /nfs/dbraw/zinc/07/94/66/631079466.db2.gz CCUNNWDYYSFXCH-UHFFFAOYSA-N 0 0 195.306 2.579 10 0 AFAERN CCCCC1(C(=O)N[C@H](C)CC)CC1 929103060 631080460 /nfs/dbraw/zinc/08/04/60/631080460.db2.gz DMETVZRLLIINRI-SNVBAGLBSA-N 0 0 197.322 2.872 10 0 AFAERN CCCCCNC(=O)[C@]1(C)C=CCC1 929105983 631080649 /nfs/dbraw/zinc/08/06/49/631080649.db2.gz URTPXWHLJPBMAD-GFCCVEGCSA-N 0 0 195.306 2.649 10 0 AFAERN CCCCCNC(=O)C1(C)CC=CC1 929105560 631081616 /nfs/dbraw/zinc/08/16/16/631081616.db2.gz QSUBPIKZERPQFW-UHFFFAOYSA-N 0 0 195.306 2.649 10 0 AFAERN CCCCC1(C(=O)N[C@@H](C)CC)CC1 929103059 631081854 /nfs/dbraw/zinc/08/18/54/631081854.db2.gz DMETVZRLLIINRI-JTQLQIEISA-N 0 0 197.322 2.872 10 0 AFAERN CCCCC1(C(=O)N(CC)CC)CC1 929142098 631082483 /nfs/dbraw/zinc/08/24/83/631082483.db2.gz MTEFBBRTSNWXQP-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CC(C)CCNC(=O)[C@]1(C)C=CCC1 929158640 631083070 /nfs/dbraw/zinc/08/30/70/631083070.db2.gz CHXPPAZTIAWTEP-GFCCVEGCSA-N 0 0 195.306 2.505 10 0 AFAERN CC(C)CCNC(=O)[C@@]1(C)C=CCC1 929158642 631083500 /nfs/dbraw/zinc/08/35/00/631083500.db2.gz CHXPPAZTIAWTEP-LBPRGKRZSA-N 0 0 195.306 2.505 10 0 AFAERN CCCNC(=O)C(C)(C)CC(C)(C)C 929221707 631084728 /nfs/dbraw/zinc/08/47/28/631084728.db2.gz UQZYXKJGOYQNOF-UHFFFAOYSA-N 0 0 199.338 2.975 10 0 AFAERN CCC[C@H](C)NC(=O)[C@@]1(C)C=CCC1 929719707 631099116 /nfs/dbraw/zinc/09/91/16/631099116.db2.gz ZYGUUBBRVOAHDY-JQWIXIFHSA-N 0 0 195.306 2.648 10 0 AFAERN CCC[C@@H](C)NC(=O)[C@]1(C)C=CCC1 929719709 631099285 /nfs/dbraw/zinc/09/92/85/631099285.db2.gz ZYGUUBBRVOAHDY-ZYHUDNBSSA-N 0 0 195.306 2.648 10 0 AFAERN CCC[C@H](C)NC(=O)[C@]1(C)C=CCC1 929719706 631099767 /nfs/dbraw/zinc/09/97/67/631099767.db2.gz ZYGUUBBRVOAHDY-CMPLNLGQSA-N 0 0 195.306 2.648 10 0 AFAERN CCC[C@@H](C)NC(=O)[C@@]1(C)C=CCC1 929719708 631100490 /nfs/dbraw/zinc/10/04/90/631100490.db2.gz ZYGUUBBRVOAHDY-PWSUYJOCSA-N 0 0 195.306 2.648 10 0 AFAERN CCCCN(C)C(=O)C1(C)CC=CC1 929793075 631101755 /nfs/dbraw/zinc/10/17/55/631101755.db2.gz UNGHCOXRRBCTCM-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN CC1=C(C)C[C@@](C)(C(=O)N(C)C)CC1 929815808 631103211 /nfs/dbraw/zinc/10/32/11/631103211.db2.gz PDACQBSQIUPRRJ-LBPRGKRZSA-N 0 0 195.306 2.601 10 0 AFAERN CC1=C(C)C[C@](C)(C(=O)N(C)C)CC1 929815807 631104306 /nfs/dbraw/zinc/10/43/06/631104306.db2.gz PDACQBSQIUPRRJ-GFCCVEGCSA-N 0 0 195.306 2.601 10 0 AFAERN CCCN(CC)C(=O)C1(C)CC=CC1 930028036 631105039 /nfs/dbraw/zinc/10/50/39/631105039.db2.gz QYIBQUNVGMISNE-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN CCCN(CC)C(=O)[C@@]1(C)C=CCC1 930027329 631105283 /nfs/dbraw/zinc/10/52/83/631105283.db2.gz JWRSOULEYHYCFB-LBPRGKRZSA-N 0 0 195.306 2.601 10 0 AFAERN CCN(C)C(=O)C1(C)C(C)(C)C1(C)C 930025859 631105484 /nfs/dbraw/zinc/10/54/84/631105484.db2.gz QNGAHNNTCCNAGC-UHFFFAOYSA-N 0 0 197.322 2.537 10 0 AFAERN CCN(C)C(=O)C(C)(C)CC(C)(C)C 930029774 631105772 /nfs/dbraw/zinc/10/57/72/631105772.db2.gz YRJSBCSYKAUOEB-UHFFFAOYSA-N 0 0 199.338 2.927 10 0 AFAERN CCCN(CC)C(=O)[C@]1(C)C=CCC1 930027328 631106084 /nfs/dbraw/zinc/10/60/84/631106084.db2.gz JWRSOULEYHYCFB-GFCCVEGCSA-N 0 0 195.306 2.601 10 0 AFAERN CCCCC1(C(=O)N(C)C2CC2)CC1 930759722 631113452 /nfs/dbraw/zinc/11/34/52/631113452.db2.gz QPIUHAQFMCFIKH-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN C[C@@H](C1CC1)N1CCCC(F)(F)C1 930848971 631116168 /nfs/dbraw/zinc/11/61/68/631116168.db2.gz NYGGKSWYZQZHAP-QMMMGPOBSA-N 0 0 189.249 2.516 10 0 AFAERN C[C@H](C1CC1)N1CCCC(F)(F)C1 930848967 631116450 /nfs/dbraw/zinc/11/64/50/631116450.db2.gz NYGGKSWYZQZHAP-MRVPVSSYSA-N 0 0 189.249 2.516 10 0 AFAERN CCCCC1(C(=O)N(C)CCC)CC1 931109719 631119887 /nfs/dbraw/zinc/11/98/87/631119887.db2.gz XKKOVLDMNQGMMC-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CCCN(C)C(=O)C[C@H]1CC=CCC1 931108357 631120165 /nfs/dbraw/zinc/12/01/65/631120165.db2.gz FQAUUEMXQSBCEA-NSHDSACASA-N 0 0 195.306 2.601 10 0 AFAERN CCCN(C)C(=O)C[C@@H]1CC=CCC1 931108356 631120995 /nfs/dbraw/zinc/12/09/95/631120995.db2.gz FQAUUEMXQSBCEA-LLVKDONJSA-N 0 0 195.306 2.601 10 0 AFAERN CCCCCN1CC[C@@H]1C(F)F 931419248 631122054 /nfs/dbraw/zinc/12/20/54/631122054.db2.gz AHICRALZTZOYDB-MRVPVSSYSA-N 0 0 177.238 2.516 10 0 AFAERN CCCCCN1CC[C@H]1C(F)F 931419340 631122535 /nfs/dbraw/zinc/12/25/35/631122535.db2.gz AHICRALZTZOYDB-QMMMGPOBSA-N 0 0 177.238 2.516 10 0 AFAERN CC(C)C[C@H](C)N1CC[C@H]1C(F)F 931429757 631123647 /nfs/dbraw/zinc/12/36/47/631123647.db2.gz VQIXIFJSNWEDBC-IUCAKERBSA-N 0 0 191.265 2.760 10 0 AFAERN CCC[C@@H](C)N1CC[C@H]1C(F)F 931427271 631124271 /nfs/dbraw/zinc/12/42/71/631124271.db2.gz XFZBZKCCOHAQOM-SFYZADRCSA-N 0 0 177.238 2.514 10 0 AFAERN CCCCCCN1CC[C@@H]1C(F)F 931421546 631124351 /nfs/dbraw/zinc/12/43/51/631124351.db2.gz OBRAAXOWCQXAIU-SECBINFHSA-N 0 0 191.265 2.906 10 0 AFAERN CC/C=C/CCN1CC[C@H]1C(F)F 931427760 631124366 /nfs/dbraw/zinc/12/43/66/631124366.db2.gz ZALJHGDNVROZIS-NWALNABHSA-N 0 0 189.249 2.682 10 0 AFAERN CCC[C@@H](C)N1CC[C@@H]1C(F)F 931427267 631124396 /nfs/dbraw/zinc/12/43/96/631124396.db2.gz XFZBZKCCOHAQOM-HTQZYQBOSA-N 0 0 177.238 2.514 10 0 AFAERN CC/C=C\CCN1CC[C@@H]1C(F)F 931427762 631124455 /nfs/dbraw/zinc/12/44/55/631124455.db2.gz ZALJHGDNVROZIS-ZBJFTSOASA-N 0 0 189.249 2.682 10 0 AFAERN FC(F)[C@@H]1CCN1CCC1CCC1 931426582 631124504 /nfs/dbraw/zinc/12/45/04/631124504.db2.gz NDEBTICGISSKKP-VIFPVBQESA-N 0 0 189.249 2.516 10 0 AFAERN CC(C)C[C@H](C)N1CC[C@@H]1C(F)F 931429756 631124762 /nfs/dbraw/zinc/12/47/62/631124762.db2.gz VQIXIFJSNWEDBC-DTWKUNHWSA-N 0 0 191.265 2.760 10 0 AFAERN CCC[C@H](C)N1CC[C@H]1C(F)F 931427273 631124772 /nfs/dbraw/zinc/12/47/72/631124772.db2.gz XFZBZKCCOHAQOM-YUMQZZPRSA-N 0 0 177.238 2.514 10 0 AFAERN CC/C=C/CCN1CC[C@@H]1C(F)F 931427759 631124874 /nfs/dbraw/zinc/12/48/74/631124874.db2.gz ZALJHGDNVROZIS-CDAZIORVSA-N 0 0 189.249 2.682 10 0 AFAERN CC/C=C\CCN1CC[C@H]1C(F)F 931427761 631124892 /nfs/dbraw/zinc/12/48/92/631124892.db2.gz ZALJHGDNVROZIS-TYRPZCRBSA-N 0 0 189.249 2.682 10 0 AFAERN CC(C)C[C@@H](C)N1CC[C@@H]1C(F)F 931429758 631124941 /nfs/dbraw/zinc/12/49/41/631124941.db2.gz VQIXIFJSNWEDBC-RKDXNWHRSA-N 0 0 191.265 2.760 10 0 AFAERN FC(F)[C@H]1CCN1CCC1CCC1 931426581 631124952 /nfs/dbraw/zinc/12/49/52/631124952.db2.gz NDEBTICGISSKKP-SECBINFHSA-N 0 0 189.249 2.516 10 0 AFAERN CCCCCCN1CC[C@H]1C(F)F 931421547 631124982 /nfs/dbraw/zinc/12/49/82/631124982.db2.gz OBRAAXOWCQXAIU-VIFPVBQESA-N 0 0 191.265 2.906 10 0 AFAERN CC(C)C[C@@H](C)N1CC[C@H]1C(F)F 931429755 631125052 /nfs/dbraw/zinc/12/50/52/631125052.db2.gz VQIXIFJSNWEDBC-BDAKNGLRSA-N 0 0 191.265 2.760 10 0 AFAERN CCC[C@H](C)N1CC[C@@H]1C(F)F 931427269 631125124 /nfs/dbraw/zinc/12/51/24/631125124.db2.gz XFZBZKCCOHAQOM-JGVFFNPUSA-N 0 0 177.238 2.514 10 0 AFAERN CC[C@@H]1C[C@H]1CN1OC2CCC1CC2 931572894 631125944 /nfs/dbraw/zinc/12/59/44/631125944.db2.gz ZUQCHAKQKGYUPN-QKEWWQLBSA-N 0 0 195.306 2.591 10 0 AFAERN CCON(CC)CCCC(C)(F)F 931569928 631126446 /nfs/dbraw/zinc/12/64/46/631126446.db2.gz AXWPAAQVVISYKD-UHFFFAOYSA-N 0 0 195.253 2.695 10 0 AFAERN CC1CC(CN2OC3CCC2CC3)C1 931571206 631126708 /nfs/dbraw/zinc/12/67/08/631126708.db2.gz LLWVNVWTWPAZMK-UHFFFAOYSA-N 0 0 195.306 2.591 10 0 AFAERN CCC(CC)OC(=O)C=C(C)C 36436933 631136348 /nfs/dbraw/zinc/13/63/48/631136348.db2.gz BIPRSOHQWIBRQW-UHFFFAOYSA-N 0 0 170.252 2.684 10 0 AFAERN CCCCCCN1CC(=O)CC[C@H]1C 932869434 631137296 /nfs/dbraw/zinc/13/72/96/631137296.db2.gz CBEIEJYBNYELSJ-LLVKDONJSA-N 0 0 197.322 2.620 10 0 AFAERN C=CCOC(=O)[C@H](C)c1ccccc1 36448413 631138036 /nfs/dbraw/zinc/13/80/36/631138036.db2.gz ARVLMXWUBDEBCM-SNVBAGLBSA-N 0 0 190.242 2.519 10 0 AFAERN CCCCCCN1CC(=O)CC[C@@H]1C 932869435 631138436 /nfs/dbraw/zinc/13/84/36/631138436.db2.gz CBEIEJYBNYELSJ-NSHDSACASA-N 0 0 197.322 2.620 10 0 AFAERN CC1(COC(=O)c2ccccc2)CC1 38916604 631141367 /nfs/dbraw/zinc/14/13/67/631141367.db2.gz QSONQVYSNQTCCU-UHFFFAOYSA-N 0 0 190.242 2.644 10 0 AFAERN c1cncc(-c2cc(C3CC3)no2)c1 39213780 631147791 /nfs/dbraw/zinc/14/77/91/631147791.db2.gz DBWZHXWUFDSRCK-UHFFFAOYSA-N 0 0 186.214 2.614 10 0 AFAERN SCc1ccsc1Cl 39599619 631150353 /nfs/dbraw/zinc/15/03/53/631150353.db2.gz WNKONGLPCDRYNL-UHFFFAOYSA-N 0 0 164.682 2.831 10 0 AFAERN Cc1cnc(CSC(C)C)o1 41364044 631153680 /nfs/dbraw/zinc/15/36/80/631153680.db2.gz REJLALBXLGIBLB-UHFFFAOYSA-N 0 0 171.265 2.625 10 0 AFAERN CCCC(=O)Oc1ccccc1F 78636264 631155542 /nfs/dbraw/zinc/15/55/42/631155542.db2.gz GGGKJOIYYBROAK-UHFFFAOYSA-N 0 0 182.194 2.531 10 0 AFAERN CC/C=C(/C)C(=O)Oc1ccccc1 77949117 631155544 /nfs/dbraw/zinc/15/55/44/631155544.db2.gz WIYYSBUBWCKNDC-YFHOEESVSA-N 0 0 190.242 2.948 10 0 AFAERN CCc1ccc(-n2nccc2F)cc1 950757327 631156541 /nfs/dbraw/zinc/15/65/41/631156541.db2.gz ULNGJYQQKWKUOI-UHFFFAOYSA-N 0 0 190.221 2.574 10 0 AFAERN Cc1cc(F)c2cnccc2c1 950757175 631156565 /nfs/dbraw/zinc/15/65/65/631156565.db2.gz DRSMUKDLNAIFFW-UHFFFAOYSA-N 0 0 161.179 2.682 10 0 AFAERN CCCc1cc(NCC)nc(Cl)n1 82501549 631157129 /nfs/dbraw/zinc/15/71/29/631157129.db2.gz JEJHTTOOKFLWBS-UHFFFAOYSA-N 0 0 199.685 2.514 10 0 AFAERN CCCCCC(=O)OCC(F)(F)F 196603687 631157931 /nfs/dbraw/zinc/15/79/31/631157931.db2.gz ORAXWUYWHLAHCG-UHFFFAOYSA-N 0 0 198.184 2.672 10 0 AFAERN C/C=C\COC(=O)CCCCC 195775301 631158040 /nfs/dbraw/zinc/15/80/40/631158040.db2.gz GVNVILDVKWMWLW-XQRVVYSFSA-N 0 0 170.252 2.686 10 0 AFAERN CC/C=C/COC(=O)CCCC 195758339 631158136 /nfs/dbraw/zinc/15/81/36/631158136.db2.gz OOOOZEUSWYVZBU-FNORWQNLSA-N 0 0 170.252 2.686 10 0 AFAERN C/C=C(/C)C(=O)OC/C=C\CCC 195786013 631158680 /nfs/dbraw/zinc/15/86/80/631158680.db2.gz UEDNMMNLPZRYMI-JCPYGFQFSA-N 0 0 182.263 2.852 10 0 AFAERN CC(C)C(=O)[C@H]1CC(=O)CCC1(C)C 196438233 631158685 /nfs/dbraw/zinc/15/86/85/631158685.db2.gz YJYOXDYDXJJTLD-SNVBAGLBSA-N 0 0 196.290 2.607 10 0 AFAERN C/C=C(/C)C(=O)OC/C=C/CCC 195786014 631158854 /nfs/dbraw/zinc/15/88/54/631158854.db2.gz UEDNMMNLPZRYMI-KCGUVZDHSA-N 0 0 182.263 2.852 10 0 AFAERN CC(C)C(=O)[C@@H]1CC(=O)CCC1(C)C 196438224 631158957 /nfs/dbraw/zinc/15/89/57/631158957.db2.gz YJYOXDYDXJJTLD-JTQLQIEISA-N 0 0 196.290 2.607 10 0 AFAERN C/C=C\C[Si](C)(C)C 195805208 631159076 /nfs/dbraw/zinc/15/90/76/631159076.db2.gz JARYEVBSCNFXFN-WAYWQWQTSA-N 0 0 128.291 2.901 10 0 AFAERN CC1(C(=O)OCc2ccccc2)CC1 197064502 631159302 /nfs/dbraw/zinc/15/93/02/631159302.db2.gz DTXYQLQYGMFOCA-UHFFFAOYSA-N 0 0 190.242 2.530 10 0 AFAERN Nc1ccc(-c2cscn2)c(F)c1 88261452 631159560 /nfs/dbraw/zinc/15/95/60/631159560.db2.gz PYRLNKIRTRSIBR-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CCC[C@H]1CCC(=O)C[C@@H]1C 90423667 631159816 /nfs/dbraw/zinc/15/98/16/631159816.db2.gz UQWVORUGDCZGFL-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@@H]1CCC(=O)C[C@H]1C 90423670 631159915 /nfs/dbraw/zinc/15/99/15/631159915.db2.gz UQWVORUGDCZGFL-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CC1=C[C@H]2C[C@@H](C1)C2(C)C 90373814 631159950 /nfs/dbraw/zinc/15/99/50/631159950.db2.gz ZJUDTXCEVUJEOX-DTWKUNHWSA-N 0 0 136.238 2.999 10 0 biogenic AFAERN COC(=O)/C(C)=C\c1ccc(C)cc1 90512844 631159957 /nfs/dbraw/zinc/15/99/57/631159957.db2.gz SYANPFVYQBHFPH-NTMALXAHSA-N 0 0 190.242 2.571 10 0 AFAERN CCC[C@H]1CCC(=O)C[C@H]1C 90423671 631160009 /nfs/dbraw/zinc/16/00/09/631160009.db2.gz UQWVORUGDCZGFL-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@@H]1CCC(=O)C[C@@H]1C 90423665 631160040 /nfs/dbraw/zinc/16/00/40/631160040.db2.gz UQWVORUGDCZGFL-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCOC(=O)[C@@H]1[C@H]2CCCC[C@H]21 249893358 631161217 /nfs/dbraw/zinc/16/12/17/631161217.db2.gz SWMFKXVPCMZVFB-URLYPYJESA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)OC(=O)N[C@H]1CC[C@H](C)CC1 253137912 631166051 /nfs/dbraw/zinc/16/60/51/631166051.db2.gz USSJIVYHUBMFMI-MGCOHNPYSA-N 0 0 199.294 2.700 10 0 AFAERN CC(C)CCNC(=O)/C=C/C(C)(C)C 253457607 631166921 /nfs/dbraw/zinc/16/69/21/631166921.db2.gz CGZZQVMOSSAMMQ-SOFGYWHQSA-N 0 0 197.322 2.751 10 0 AFAERN C#CCCCCCCSC 115042366 631166939 /nfs/dbraw/zinc/16/69/39/631166939.db2.gz UKALNCDSOMAWEQ-UHFFFAOYSA-N 0 0 156.294 2.933 10 0 AFAERN Cc1cc(-c2cc(C)ns2)sn1 253598888 631167097 /nfs/dbraw/zinc/16/70/97/631167097.db2.gz VWZQISBUXDLLDN-UHFFFAOYSA-N 0 0 196.300 2.883 10 0 AFAERN CC(C)NC(=O)/C=C/C1CCCCC1 253456309 631167120 /nfs/dbraw/zinc/16/71/20/631167120.db2.gz BAPWZLJEOQQBCF-CMDGGOBGSA-N 0 0 195.306 2.648 10 0 AFAERN COCSc1cc(F)ccc1F 306172787 631167886 /nfs/dbraw/zinc/16/78/86/631167886.db2.gz BIJMAIYSJFCINZ-UHFFFAOYSA-N 0 0 190.214 2.661 10 0 AFAERN CCN1CCc2cc(C)c(C)cc21 306305115 631170492 /nfs/dbraw/zinc/17/04/92/631170492.db2.gz DLYRYZRKYTUWKP-UHFFFAOYSA-N 0 0 175.275 2.686 10 0 AFAERN CC(C)Nc1cccc(C2CC2)n1 115259542 631172342 /nfs/dbraw/zinc/17/23/42/631172342.db2.gz POELPSJZOPGUIO-UHFFFAOYSA-N 0 0 176.263 2.779 10 0 AFAERN Cc1cccc(S[C@@H](C)[C@@H](C)O)c1 87139944 524811229 /nfs/dbraw/zinc/81/12/29/524811229.db2.gz JTQUEOFNQWBLHM-ZJUUUORDSA-N 0 0 196.315 2.856 10 0 AFAERN C[C@@H]1CN(C)c2ccc(Cl)cc2N1 76927842 524913440 /nfs/dbraw/zinc/91/34/40/524913440.db2.gz NJHCWPOQKPPZFY-SSDOTTSWSA-N 0 0 196.681 2.590 10 0 AFAERN C[C@@H]1CN(C)c2cccc(Cl)c2O1 62522347 524916106 /nfs/dbraw/zinc/91/61/06/524916106.db2.gz UNJSUDQKMCVNHI-SSDOTTSWSA-N 0 0 197.665 2.557 10 0 AFAERN Cc1cccc2c1N(C)C(C)(C)CN2 76634721 524950747 /nfs/dbraw/zinc/95/07/47/524950747.db2.gz FXKOZHOEMJVAPC-UHFFFAOYSA-N 0 0 190.290 2.635 10 0 AFAERN C[C@@H]1CNc2cc(Cl)ccc2N1C 76637105 525107161 /nfs/dbraw/zinc/10/71/61/525107161.db2.gz FPHAFSWOLKKJKZ-SSDOTTSWSA-N 0 0 196.681 2.590 10 0 AFAERN C[C@@H]1CNc2ccc(Cl)cc2N1C 76637099 525107199 /nfs/dbraw/zinc/10/71/99/525107199.db2.gz HCNJYZCSOCNCSF-SSDOTTSWSA-N 0 0 196.681 2.590 10 0 AFAERN Cc1ccc(NC(=O)NC(C)C)s1 307592833 525151650 /nfs/dbraw/zinc/15/16/50/525151650.db2.gz IFIYENVQVOIHAD-UHFFFAOYSA-N 0 0 198.291 2.586 10 0 AFAERN Cc1ccccc1N[C@H]1CCCOC1 70011627 525274708 /nfs/dbraw/zinc/27/47/08/525274708.db2.gz DLOVTLKLEIVLOU-NSHDSACASA-N 0 0 191.274 2.586 10 0 AFAERN COC(=O)c1cc(C(C)C)ccc1C 3201722 1224161867 /nfs/dbraw/zinc/16/18/67/1224161867.db2.gz GZQGRXFNRRGRCX-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CCCCOC(=O)c1ccccc1C 5821424 1224162134 /nfs/dbraw/zinc/16/21/34/1224162134.db2.gz GALQLODNTKQGFE-UHFFFAOYSA-N 0 0 192.258 2.952 10 0 AFAERN CCCCCOC(C)C 5820701 1224162173 /nfs/dbraw/zinc/16/21/73/1224162173.db2.gz FDUGUUVTGOZJQR-UHFFFAOYSA-N 0 0 130.231 2.602 10 0 AFAERN CCCCc1cccc(O)c1OC 5832353 1224163040 /nfs/dbraw/zinc/16/30/40/1224163040.db2.gz ZYWGSKGRLVYULL-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN CC[C@H](C)Nc1cccc(O)c1 20193965 1224164206 /nfs/dbraw/zinc/16/42/06/1224164206.db2.gz XQUZYKVGDXCGNF-QMMMGPOBSA-N 0 0 165.236 2.603 10 0 AFAERN CSCCCNc1cccc(O)c1 20194171 1224164265 /nfs/dbraw/zinc/16/42/65/1224164265.db2.gz CTPPBJXMCLVIJQ-UHFFFAOYSA-N 0 0 197.303 2.557 10 0 AFAERN Cc1ccc(CN2CC(C)(F)C2)cc1 35035475 1224165694 /nfs/dbraw/zinc/16/56/94/1224165694.db2.gz DJHBFYUXBYITTJ-UHFFFAOYSA-N 0 0 193.265 2.539 10 0 AFAERN Cc1cccc(-c2ccnc(N)c2)c1 44120374 1224169334 /nfs/dbraw/zinc/16/93/34/1224169334.db2.gz DEWNXUQIJZFSMW-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCCCCC[C@H](C)OCCCO 62462609 1224171162 /nfs/dbraw/zinc/17/11/62/1224171162.db2.gz GWDAVNOJHIYDGZ-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)Cc1ccc2c(c1)NCCO2 62521174 1224171219 /nfs/dbraw/zinc/17/12/19/1224171219.db2.gz WDRYDXFAOSLVOQ-UHFFFAOYSA-N 0 0 191.274 2.689 10 0 AFAERN Cc1noc(C)c1-c1cccc(O)c1 65339916 1224173693 /nfs/dbraw/zinc/17/36/93/1224173693.db2.gz XJLRQJVRXSYFPH-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN Cc1cccc(-c2cc[nH]c(=O)c2)c1C 65337701 1224173854 /nfs/dbraw/zinc/17/38/54/1224173854.db2.gz FEKUGIOQFAVPDI-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN CCc1ccc(-c2ccc[nH]c2=O)cc1 65337716 1224173956 /nfs/dbraw/zinc/17/39/56/1224173956.db2.gz UYTQBTQREBAAAO-UHFFFAOYSA-N 0 0 199.253 2.604 10 0 AFAERN Cc1cccc(-c2cncc(O)c2)c1 65337616 1224173962 /nfs/dbraw/zinc/17/39/62/1224173962.db2.gz FGXYVXWSONITED-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccc(C)c(-c2cc[nH]c(=O)c2)c1 65337711 1224173981 /nfs/dbraw/zinc/17/39/81/1224173981.db2.gz IPENNRXQHOQRBL-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN CCc1ccc(-c2cc[nH]c(=O)c2)cc1 65337719 1224174222 /nfs/dbraw/zinc/17/42/22/1224174222.db2.gz PUOCBYOQTRMBGJ-UHFFFAOYSA-N 0 0 199.253 2.604 10 0 AFAERN Cc1cc(O)cc(-c2cccc(N)c2)c1 65340218 1224174268 /nfs/dbraw/zinc/17/42/68/1224174268.db2.gz TZZUGFLYTVQEMV-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN Cc1cccc(-c2ccc[nH]c2=O)c1C 65337699 1224174287 /nfs/dbraw/zinc/17/42/87/1224174287.db2.gz MXGTZFPEMBKDKT-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1cc(-c2cccc(N)c2)ccc1O 65340216 1224174432 /nfs/dbraw/zinc/17/44/32/1224174432.db2.gz FNQYTZVMNQDJLD-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN C=Cc1cc(C(=O)OCC)ccc1F 66325728 1224174468 /nfs/dbraw/zinc/17/44/68/1224174468.db2.gz KMDWISXQIBPNIA-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN c1cc(-c2ccc3c(c2)CCN3)co1 68978199 1224175074 /nfs/dbraw/zinc/17/50/74/1224175074.db2.gz LLMNCHDHOICRNF-UHFFFAOYSA-N 0 0 185.226 2.915 10 0 AFAERN CC[C@@H](C)Nc1ncc(N)cc1Cl 82531302 1224177582 /nfs/dbraw/zinc/17/75/82/1224177582.db2.gz COLVULBMOMQUNT-ZCFIWIBFSA-N 0 0 199.685 2.528 10 0 AFAERN CC[C@H](C)Nc1ncc(N)cc1Cl 82531303 1224178215 /nfs/dbraw/zinc/17/82/15/1224178215.db2.gz COLVULBMOMQUNT-LURJTMIESA-N 0 0 199.685 2.528 10 0 AFAERN CCCCNc1ncc(N)cc1Cl 82531300 1224178409 /nfs/dbraw/zinc/17/84/09/1224178409.db2.gz RFUBDSHUQRHQGF-UHFFFAOYSA-N 0 0 199.685 2.529 10 0 AFAERN CCc1cccnc1N[C@H](C)CC 134511859 1224184694 /nfs/dbraw/zinc/18/46/94/1224184694.db2.gz WZIDUVPOVFNEDK-SECBINFHSA-N 0 0 178.279 2.854 10 0 AFAERN CCC(=O)Cc1c(C)cccc1C 126281043 1224183387 /nfs/dbraw/zinc/18/33/87/1224183387.db2.gz BRBQOLDFEKHCMB-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN CC[C@@H](C)Nc1cc(C)cnc1OC 134348240 1224184322 /nfs/dbraw/zinc/18/43/22/1224184322.db2.gz VQVJJYHIGSSLHN-SECBINFHSA-N 0 0 194.278 2.609 10 0 AFAERN CC[C@H](C)Nc1cc(C)cnc1OC 134348261 1224184362 /nfs/dbraw/zinc/18/43/62/1224184362.db2.gz VQVJJYHIGSSLHN-VIFPVBQESA-N 0 0 194.278 2.609 10 0 AFAERN CCCn1cc(N[C@@H](C)CC)cn1 134304995 1224184367 /nfs/dbraw/zinc/18/43/67/1224184367.db2.gz FBRPHJWDYBLKMA-VIFPVBQESA-N 0 0 181.283 2.504 10 0 AFAERN CC[C@H](C)Nc1ccc(OC)nc1C 134344457 1224184642 /nfs/dbraw/zinc/18/46/42/1224184642.db2.gz ROEBHLAVEXSCCL-QMMMGPOBSA-N 0 0 194.278 2.609 10 0 AFAERN CC[C@@H](C)Nc1nc(C)ccc1OC 134307003 1224184813 /nfs/dbraw/zinc/18/48/13/1224184813.db2.gz QVQMFJATCRLEMF-MRVPVSSYSA-N 0 0 194.278 2.609 10 0 AFAERN CC[C@H](C)Nc1nc(C)ccc1OC 134307022 1224184869 /nfs/dbraw/zinc/18/48/69/1224184869.db2.gz QVQMFJATCRLEMF-QMMMGPOBSA-N 0 0 194.278 2.609 10 0 AFAERN CCc1cccnc1N[C@@H](C)CC 134511834 1224184942 /nfs/dbraw/zinc/18/49/42/1224184942.db2.gz WZIDUVPOVFNEDK-VIFPVBQESA-N 0 0 178.279 2.854 10 0 AFAERN CCCn1cc(N[C@H](C)CC)cn1 134305013 1224184957 /nfs/dbraw/zinc/18/49/57/1224184957.db2.gz FBRPHJWDYBLKMA-SECBINFHSA-N 0 0 181.283 2.504 10 0 AFAERN CC[C@@H](C)Nc1ccc(OC)nc1C 134344438 1224185066 /nfs/dbraw/zinc/18/50/66/1224185066.db2.gz ROEBHLAVEXSCCL-MRVPVSSYSA-N 0 0 194.278 2.609 10 0 AFAERN c1c[nH]c(-c2ccc3ccoc3c2)n1 143128595 1224187040 /nfs/dbraw/zinc/18/70/40/1224187040.db2.gz WOUPMYHZTXKSIC-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Cc1cc(O)cc(CC(C)C)c1 143185738 1224187451 /nfs/dbraw/zinc/18/74/51/1224187451.db2.gz NIDUFJDFWOHIQW-UHFFFAOYSA-N 0 0 164.248 2.899 10 0 AFAERN C#CCc1ccc(N(CC)CC)cc1 143122904 1224187533 /nfs/dbraw/zinc/18/75/33/1224187533.db2.gz WFUDGYCKJVPMAM-UHFFFAOYSA-N 0 0 187.286 2.709 10 0 AFAERN C=C(C)c1cccc(C(=O)OC)c1 146623359 1224188782 /nfs/dbraw/zinc/18/87/82/1224188782.db2.gz KFKNLMVXOLVEPX-UHFFFAOYSA-N 0 0 176.215 2.506 10 0 AFAERN CCc1ccnc(Cl)c1Cl 146542141 1224188868 /nfs/dbraw/zinc/18/88/68/1224188868.db2.gz RXNNIXJVRRLILL-UHFFFAOYSA-N 0 0 176.046 2.951 10 0 AFAERN Fc1cccnc1Nc1ccccc1 146613093 1224188946 /nfs/dbraw/zinc/18/89/46/1224188946.db2.gz CWOHHWHBLCRRGD-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN Cc1occc1-c1nccs1 159012675 1224190035 /nfs/dbraw/zinc/19/00/35/1224190035.db2.gz YJWOMPVXNIYOPM-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN Cc1cnc(Nc2ccccc2)nc1C 158979822 1224190811 /nfs/dbraw/zinc/19/08/11/1224190811.db2.gz QVKKMKHMIRLYDI-UHFFFAOYSA-N 0 0 199.257 2.837 10 0 AFAERN COC[C@H](C)Oc1ccc(F)c(C)c1 158873564 1224190997 /nfs/dbraw/zinc/19/09/97/1224190997.db2.gz XIHSDORBPREYPO-VIFPVBQESA-N 0 0 198.237 2.548 10 0 AFAERN c1ccc(-c2cnc3cc[nH]c3n2)cc1 164991482 1224194747 /nfs/dbraw/zinc/19/47/47/1224194747.db2.gz VYTRSAJNZGPZPU-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC[C@@H](C)c1cscn1 164792895 1224194885 /nfs/dbraw/zinc/19/48/85/1224194885.db2.gz BQLODQJNKORBAL-ZCFIWIBFSA-N 0 0 141.239 2.657 10 0 AFAERN CC[C@H](C)c1cscn1 164793034 1224194894 /nfs/dbraw/zinc/19/48/94/1224194894.db2.gz BQLODQJNKORBAL-LURJTMIESA-N 0 0 141.239 2.657 10 0 AFAERN CCc1cc(CC2CC2)ccc1N 166138816 1224196049 /nfs/dbraw/zinc/19/60/49/1224196049.db2.gz YCYKHBBGNIPBFF-UHFFFAOYSA-N 0 0 175.275 2.784 10 0 AFAERN Cc1ccc(CC(C)C)cn1 165055980 1224196200 /nfs/dbraw/zinc/19/62/00/1224196200.db2.gz OTWKMUYCWMNHAC-UHFFFAOYSA-N 0 0 149.237 2.589 10 0 AFAERN CCC(=O)OCCCCC(C)C 166103603 1224196301 /nfs/dbraw/zinc/19/63/01/1224196301.db2.gz ASWDFFZVPMRQEE-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN C=CCOC(=O)[C@@H]1CCC[C@@H](C)C1 166471533 1224198478 /nfs/dbraw/zinc/19/84/78/1224198478.db2.gz DZZZFEZPLWRHPJ-NXEZZACHSA-N 0 0 182.263 2.542 10 0 AFAERN COC(=O)c1ccc(C=C(C)C)cc1 165076471 1224196701 /nfs/dbraw/zinc/19/67/01/1224196701.db2.gz SMGICHHJAVRSPB-UHFFFAOYSA-N 0 0 190.242 2.896 10 0 AFAERN CC(C)c1ccc(C#N)cc1F 166470527 1224198223 /nfs/dbraw/zinc/19/82/23/1224198223.db2.gz ZEGUZXVXFNMFCT-UHFFFAOYSA-N 0 0 163.195 2.821 10 0 AFAERN C=CCOC(=O)[C@@H]1CCC[C@H](C)C1 166471667 1224198659 /nfs/dbraw/zinc/19/86/59/1224198659.db2.gz DZZZFEZPLWRHPJ-VHSXEESVSA-N 0 0 182.263 2.542 10 0 AFAERN C=CCOC(=O)[C@H]1CCC[C@H](C)C1 166471421 1224198694 /nfs/dbraw/zinc/19/86/94/1224198694.db2.gz DZZZFEZPLWRHPJ-UWVGGRQHSA-N 0 0 182.263 2.542 10 0 AFAERN Oc1cc(F)cc(-c2nccs2)c1 168116185 1224199391 /nfs/dbraw/zinc/19/93/91/1224199391.db2.gz UZKYHDXDNLVXBT-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CC(C)COC(=O)N1CCC(C)CC1 168209902 1224199418 /nfs/dbraw/zinc/19/94/18/1224199418.db2.gz ZJKQSSLGZAGZCN-UHFFFAOYSA-N 0 0 199.294 2.511 10 0 AFAERN CCc1cccc(-c2ccc(N)nc2)c1 168249945 1224199463 /nfs/dbraw/zinc/19/94/63/1224199463.db2.gz HZLFRTHDAFEMDU-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CCc1cccc(-c2cccnc2N)c1 168250613 1224199867 /nfs/dbraw/zinc/19/98/67/1224199867.db2.gz DWLDHDUCOIBHFT-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CC(C)Oc1nc2ccccc2o1 196321014 1224203388 /nfs/dbraw/zinc/20/33/88/1224203388.db2.gz CIYKFBIOHHUYON-UHFFFAOYSA-N 0 0 177.203 2.615 10 0 AFAERN c1ccc(COCc2ccoc2)cc1 196500883 1224204249 /nfs/dbraw/zinc/20/42/49/1224204249.db2.gz XCAXMARKQAWOMG-UHFFFAOYSA-N 0 0 188.226 2.996 10 0 AFAERN c1ccc(-c2ncc3cc[nH]c3n2)cc1 197161718 1224205315 /nfs/dbraw/zinc/20/53/15/1224205315.db2.gz HVPMMTIMEHDCTN-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN COc1cc(OC(C)C)ccc1C 197192969 1224205401 /nfs/dbraw/zinc/20/54/01/1224205401.db2.gz LVXSATVDMWDJRV-UHFFFAOYSA-N 0 0 180.247 2.791 10 0 AFAERN Cc1ccc(-c2cnccn2)c(C)c1 198836655 1224206910 /nfs/dbraw/zinc/20/69/10/1224206910.db2.gz ISLBHNRUKRTAPD-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CCCCc1cccc(O)c1F 199373585 1224207559 /nfs/dbraw/zinc/20/75/59/1224207559.db2.gz PAHKQRIEXCHRDQ-UHFFFAOYSA-N 0 0 168.211 2.874 10 0 AFAERN CC(C)Oc1cncc(Cl)c1 199719662 1224208831 /nfs/dbraw/zinc/20/88/31/1224208831.db2.gz AKDICWROYSMKPK-UHFFFAOYSA-N 0 0 171.627 2.522 10 0 AFAERN CCCn1c(C)nc2ccc(F)cc21 199815860 1224208984 /nfs/dbraw/zinc/20/89/84/1224208984.db2.gz IJEMQVIMSNSJAM-UHFFFAOYSA-N 0 0 192.237 2.894 10 0 AFAERN CCOc1ccc(F)c(F)c1C 200019614 1224209415 /nfs/dbraw/zinc/20/94/15/1224209415.db2.gz FHQNYYMDIOHAIW-UHFFFAOYSA-N 0 0 172.174 2.672 10 0 AFAERN Cc1cccc(C)c1-c1cncnc1 199931025 1224209914 /nfs/dbraw/zinc/20/99/14/1224209914.db2.gz ISSUVNQHOHBSSP-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN Cc1c(F)cccc1OC(C)C 200019860 1224210054 /nfs/dbraw/zinc/21/00/54/1224210054.db2.gz XGLVALAXDZRPHC-UHFFFAOYSA-N 0 0 168.211 2.921 10 0 AFAERN CCc1ncccc1C(C)C 201398791 1224211410 /nfs/dbraw/zinc/21/14/10/1224211410.db2.gz ACBHQYABJNEDSL-UHFFFAOYSA-N 0 0 149.237 2.767 10 0 AFAERN Cc1cc(CC(C)(C)C)ccn1 202750541 1224212923 /nfs/dbraw/zinc/21/29/23/1224212923.db2.gz RJJIPWDQSFEIFV-UHFFFAOYSA-N 0 0 163.264 2.979 10 0 AFAERN CCCn1cc(CC(C)(C)C)cn1 202745614 1224213031 /nfs/dbraw/zinc/21/30/31/1224213031.db2.gz YUOJMHRQKYKEAZ-UHFFFAOYSA-N 0 0 180.295 2.882 10 0 AFAERN Cc1n[nH]c(C)c1CCC(C)C 202739749 1224213167 /nfs/dbraw/zinc/21/31/67/1224213167.db2.gz SGZZPKMHOQBGKB-UHFFFAOYSA-N 0 0 166.268 2.615 10 0 AFAERN Oc1cccc(Cl)c1CC1CC1 202659781 1224213292 /nfs/dbraw/zinc/21/32/92/1224213292.db2.gz GXBVLVRDBGHGEV-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN Cc1ccnc(-c2ccoc2C)c1 202766911 1224213760 /nfs/dbraw/zinc/21/37/60/1224213760.db2.gz PPVYEUGCIXTCPX-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1sccc1C1CC1 202838225 1224214433 /nfs/dbraw/zinc/21/44/33/1224214433.db2.gz BTXSNMMHCDDNSU-UHFFFAOYSA-N 0 0 138.235 2.934 10 0 AFAERN CCCCCOC(=O)NC1CCCC1 202896449 1224214453 /nfs/dbraw/zinc/21/44/53/1224214453.db2.gz RBABIMKTSAYORN-UHFFFAOYSA-N 0 0 199.294 2.845 10 0 AFAERN CC[C@H](C)c1cccc(OC)n1 206486149 1224215622 /nfs/dbraw/zinc/21/56/22/1224215622.db2.gz CAHCKLJDEAVBMB-QMMMGPOBSA-N 0 0 165.236 2.604 10 0 AFAERN CC[C@@H](C)c1cccc(OC)n1 206486111 1224215670 /nfs/dbraw/zinc/21/56/70/1224215670.db2.gz CAHCKLJDEAVBMB-MRVPVSSYSA-N 0 0 165.236 2.604 10 0 AFAERN CC(=O)c1c(C)cccc1OC(C)C 213633607 1224216586 /nfs/dbraw/zinc/21/65/86/1224216586.db2.gz KCMNSYVIOXKQLK-UHFFFAOYSA-N 0 0 192.258 2.985 10 0 AFAERN Cc1cncc(Nc2ccccc2N)c1 219246549 1224219499 /nfs/dbraw/zinc/21/94/99/1224219499.db2.gz YQYITKRJMQSKPS-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN c1ccc2cc(-c3ncc[nH]3)ncc2c1 219122607 1224219641 /nfs/dbraw/zinc/21/96/41/1224219641.db2.gz XGQARRZPOYIAMD-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CCCNc1cc(C)cc(Cl)n1 219145669 1224219822 /nfs/dbraw/zinc/21/98/22/1224219822.db2.gz POPQNKMFSMGOEZ-UHFFFAOYSA-N 0 0 184.670 2.865 10 0 AFAERN COc1cccc(CC(C)(C)C)n1 220624835 1224225687 /nfs/dbraw/zinc/22/56/87/1224225687.db2.gz DRJIBNWMURMTEA-UHFFFAOYSA-N 0 0 179.263 2.679 10 0 AFAERN CCCc1ccc(F)c(C(=O)OC)c1 220614308 1224225717 /nfs/dbraw/zinc/22/57/17/1224225717.db2.gz MBOUKIORBNFXQT-UHFFFAOYSA-N 0 0 196.221 2.565 10 0 AFAERN CC(C)Oc1ccnc(Cl)c1F 231469115 1224230883 /nfs/dbraw/zinc/23/08/83/1224230883.db2.gz VUVLZFUJURCAIY-UHFFFAOYSA-N 0 0 189.617 2.661 10 0 AFAERN Fc1cccc(CC2CC2)c1F 231484612 1224230923 /nfs/dbraw/zinc/23/09/23/1224230923.db2.gz XFGLEHJGAQSZJT-UHFFFAOYSA-N 0 0 168.186 2.917 10 0 AFAERN Cc1ccc(-c2ncon2)cc1Cl 231478235 1224231546 /nfs/dbraw/zinc/23/15/46/1224231546.db2.gz JBZRHUDHRQQSTJ-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CC(C)(Nc1ncccc1F)C1CC1 232539496 1224233334 /nfs/dbraw/zinc/23/33/34/1224233334.db2.gz XFQIRHOGGJYIGC-UHFFFAOYSA-N 0 0 194.253 2.821 10 0 AFAERN CC(=O)c1cccc(F)c1OC(C)C 232683916 1224234981 /nfs/dbraw/zinc/23/49/81/1224234981.db2.gz QBQSVZJJAUGCKN-UHFFFAOYSA-N 0 0 196.221 2.816 10 0 AFAERN CCc1ccccc1Nc1ncccn1 232677469 1224235136 /nfs/dbraw/zinc/23/51/36/1224235136.db2.gz JGTZHZIMJVXXPG-UHFFFAOYSA-N 0 0 199.257 2.783 10 0 AFAERN Fc1ccc(F)c(OC2CC2)c1F 238568327 1224236486 /nfs/dbraw/zinc/23/64/86/1224236486.db2.gz LXWUTIVHTHEHMQ-UHFFFAOYSA-N 0 0 188.148 2.645 10 0 AFAERN Cc1cnc(C)c(-c2ccsc2)n1 238556613 1224236500 /nfs/dbraw/zinc/23/65/00/1224236500.db2.gz CCVYPISWLKBDOL-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1cc2c(cc1C)N(C)[C@H](C)CN2 76634714 525591399 /nfs/dbraw/zinc/59/13/99/525591399.db2.gz XDTSLTXDWHQBKJ-SNVBAGLBSA-N 0 0 190.290 2.554 10 0 AFAERN Cc1cc2c(cc1C)N(C)[C@@H](C)CN2 76634717 525591740 /nfs/dbraw/zinc/59/17/40/525591740.db2.gz XDTSLTXDWHQBKJ-JTQLQIEISA-N 0 0 190.290 2.554 10 0 AFAERN Cc1cnc(F)c(OC2CCCC2)c1 238558731 1224237479 /nfs/dbraw/zinc/23/74/79/1224237479.db2.gz RPJWOQZFADTAFO-UHFFFAOYSA-N 0 0 195.237 2.851 10 0 AFAERN Fc1ccc(OC2CCCC2)nc1 238581736 1224237616 /nfs/dbraw/zinc/23/76/16/1224237616.db2.gz RJHISQFWVXMYQJ-UHFFFAOYSA-N 0 0 181.210 2.542 10 0 AFAERN Fc1ccc(F)c(OC2CC2)c1 238568304 1224237720 /nfs/dbraw/zinc/23/77/20/1224237720.db2.gz QJSDKKPPQMCHRD-UHFFFAOYSA-N 0 0 170.158 2.506 10 0 AFAERN Cc1cnc(Cl)c(OC2CCC2)c1 238557942 1224237735 /nfs/dbraw/zinc/23/77/35/1224237735.db2.gz FTKACENQDABGCB-UHFFFAOYSA-N 0 0 197.665 2.975 10 0 AFAERN Cc1cc2c(cc1C)N(C)C[C@H](C)N2 76928468 525592658 /nfs/dbraw/zinc/59/26/58/525592658.db2.gz SYGYWRFTDBIGKS-JTQLQIEISA-N 0 0 190.290 2.554 10 0 AFAERN Cc1cc2c(cc1C)N(C)C[C@@H](C)N2 76928469 525592669 /nfs/dbraw/zinc/59/26/69/525592669.db2.gz SYGYWRFTDBIGKS-SNVBAGLBSA-N 0 0 190.290 2.554 10 0 AFAERN CC[C@@H](C)COC(=O)N(CC)CC 242632114 1224238967 /nfs/dbraw/zinc/23/89/67/1224238967.db2.gz COZOIYJEDQXLAO-SECBINFHSA-N 0 0 187.283 2.511 10 0 AFAERN CC[C@H](C)COC(=O)N(CC)CC 242632115 1224239028 /nfs/dbraw/zinc/23/90/28/1224239028.db2.gz COZOIYJEDQXLAO-VIFPVBQESA-N 0 0 187.283 2.511 10 0 AFAERN CCCn1c(C)nc2cc(F)ccc21 247961046 1224239767 /nfs/dbraw/zinc/23/97/67/1224239767.db2.gz OQGUZYHBWGRWIA-UHFFFAOYSA-N 0 0 192.237 2.894 10 0 AFAERN CCc1cncnc1-c1ccccc1 253606593 1224240674 /nfs/dbraw/zinc/24/06/74/1224240674.db2.gz WCVZJCNQRJDAJH-UHFFFAOYSA-N 0 0 184.242 2.706 10 0 AFAERN CC1(C)CCC(N2CC(F)C2)CC1 306170383 1224245003 /nfs/dbraw/zinc/24/50/03/1224245003.db2.gz KFHQUDCLNFKUPG-UHFFFAOYSA-N 0 0 185.286 2.609 10 0 AFAERN CCCCNc1c(C)ccnc1C 306183463 1224245421 /nfs/dbraw/zinc/24/54/21/1224245421.db2.gz BEUXPEYYHDPGPO-UHFFFAOYSA-N 0 0 178.279 2.910 10 0 AFAERN CC(C)n1cc(-c2cscn2)cn1 306285835 1224251848 /nfs/dbraw/zinc/25/18/48/1224251848.db2.gz KICGLJZJFVBCQI-UHFFFAOYSA-N 0 0 193.275 2.588 10 0 AFAERN C1=C[C@H](SC2=NCCS2)CCC1 306302496 1224252739 /nfs/dbraw/zinc/25/27/39/1224252739.db2.gz AUIKZKJKSLVZPR-QMMMGPOBSA-N 0 0 199.344 2.931 10 0 AFAERN C1=C[C@@H](SC2=NCCS2)CCC1 306302492 1224252945 /nfs/dbraw/zinc/25/29/45/1224252945.db2.gz AUIKZKJKSLVZPR-MRVPVSSYSA-N 0 0 199.344 2.931 10 0 AFAERN c1cnc2c(OC3CC3)cccc2c1 306345521 1224255529 /nfs/dbraw/zinc/25/55/29/1224255529.db2.gz DSUIARNMKRCECN-UHFFFAOYSA-N 0 0 185.226 2.776 10 0 AFAERN CC(C)[C@H](C)Oc1cccnc1F 306341155 1224255759 /nfs/dbraw/zinc/25/57/59/1224255759.db2.gz CPANTHFVINCGHP-QMMMGPOBSA-N 0 0 183.226 2.644 10 0 AFAERN CC(C)[C@@H](C)Oc1cccnc1F 306341152 1224255768 /nfs/dbraw/zinc/25/57/68/1224255768.db2.gz CPANTHFVINCGHP-MRVPVSSYSA-N 0 0 183.226 2.644 10 0 AFAERN Cc1cccc(-c2cscn2)n1 306406278 1224257566 /nfs/dbraw/zinc/25/75/66/1224257566.db2.gz XCBYTEWKZLKXRJ-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN COc1ccc(C2CCCC2)cn1 306429304 1224257945 /nfs/dbraw/zinc/25/79/45/1224257945.db2.gz OMLXOPMATFLXKY-UHFFFAOYSA-N 0 0 177.247 2.748 10 0 AFAERN CC(C)=Cc1nnc(CC(C)C)o1 306428766 1224258309 /nfs/dbraw/zinc/25/83/09/1224258309.db2.gz ADKWGBOPNKYWBI-UHFFFAOYSA-N 0 0 180.251 2.691 10 0 AFAERN c1nc(C2CCCC2)cs1 306474635 1224261630 /nfs/dbraw/zinc/26/16/30/1224261630.db2.gz NLUNGQXYGKXKPK-UHFFFAOYSA-N 0 0 153.250 2.801 10 0 AFAERN Cc1cccnc1OCc1ccccc1 306517049 1224263700 /nfs/dbraw/zinc/26/37/00/1224263700.db2.gz ZXSIUKLZONSZEC-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN Fc1ccc(Cl)c(CN2CCC2)c1 306523787 1224264364 /nfs/dbraw/zinc/26/43/64/1224264364.db2.gz VBFLFTRNOHAIBG-UHFFFAOYSA-N 0 0 199.656 2.685 10 0 AFAERN CC(=O)c1ccc(C)cc1OC1CC1 306527634 1224264686 /nfs/dbraw/zinc/26/46/86/1224264686.db2.gz YDLYTASYUXZXNK-UHFFFAOYSA-N 0 0 190.242 2.739 10 0 AFAERN CCc1nc2cccc(Cl)c2n1C 306571016 1224266780 /nfs/dbraw/zinc/26/67/80/1224266780.db2.gz NRRXWELMPRIHSS-UHFFFAOYSA-N 0 0 194.665 2.789 10 0 AFAERN CC[C@H](C)Nc1nc(C)c(C)nc1C 306629426 1224269307 /nfs/dbraw/zinc/26/93/07/1224269307.db2.gz DNHPDEJOHTUMAC-ZETCQYMHSA-N 0 0 193.294 2.612 10 0 AFAERN CC[C@@H](C)Nc1nc(C)c(C)nc1C 306629425 1224269648 /nfs/dbraw/zinc/26/96/48/1224269648.db2.gz DNHPDEJOHTUMAC-SSDOTTSWSA-N 0 0 193.294 2.612 10 0 AFAERN Fc1cc(CN2CCC2)ccc1Cl 306644439 1224270340 /nfs/dbraw/zinc/27/03/40/1224270340.db2.gz ZMEXZJDJCFVXGS-UHFFFAOYSA-N 0 0 199.656 2.685 10 0 AFAERN COc1cccc(F)c1NCC(C)C 306656851 1224271659 /nfs/dbraw/zinc/27/16/59/1224271659.db2.gz JJCXRNMOWDMXKF-UHFFFAOYSA-N 0 0 197.253 2.902 10 0 AFAERN Clc1cccc(CN2CCC2)c1 306802628 1224273047 /nfs/dbraw/zinc/27/30/47/1224273047.db2.gz UFAPCXWPYSYHJY-UHFFFAOYSA-N 0 0 181.666 2.546 10 0 AFAERN Cc1cc(CC(F)(F)F)cc(C)n1 306799744 1224273529 /nfs/dbraw/zinc/27/35/29/1224273529.db2.gz GUKXUBHZJPHEBE-UHFFFAOYSA-N 0 0 189.180 2.803 10 0 AFAERN Cc1ccc(CN2CCC2)c(Cl)c1 307467278 1224284763 /nfs/dbraw/zinc/28/47/63/1224284763.db2.gz PGPFQZVCXJVERV-UHFFFAOYSA-N 0 0 195.693 2.854 10 0 AFAERN Cc1cc(-c2ccoc2C)ccn1 307510123 1224285748 /nfs/dbraw/zinc/28/57/48/1224285748.db2.gz KIWGCIALDFKNGK-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1nnc(-c2csc(C)c2C)o1 307562948 1224287991 /nfs/dbraw/zinc/28/79/91/1224287991.db2.gz LUODPYJISQVMSB-UHFFFAOYSA-N 0 0 194.259 2.723 10 0 AFAERN CCCCc1cccnc1CC 308132697 1224295093 /nfs/dbraw/zinc/29/50/93/1224295093.db2.gz YLQMTIHGQUOHJV-UHFFFAOYSA-N 0 0 163.264 2.987 10 0 AFAERN CCCc1ccn(CCSCC)n1 308211625 1224296443 /nfs/dbraw/zinc/29/64/43/1224296443.db2.gz GSOONCXVQGADLA-UHFFFAOYSA-N 0 0 198.335 2.589 10 0 AFAERN CCC(CC)[N@H+](C)Cc1nccs1 308208929 1224296703 /nfs/dbraw/zinc/29/67/03/1224296703.db2.gz FHOYBIYOFXNTNU-UHFFFAOYSA-N 0 0 198.335 2.764 10 0 AFAERN CC[C@H](C)c1nnc(CC(C)C)o1 308394910 1224300115 /nfs/dbraw/zinc/30/01/15/1224300115.db2.gz CQKYQPOTJBYMOY-QMMMGPOBSA-N 0 0 182.267 2.782 10 0 AFAERN CC[C@@H](C)c1nnc(CC(C)C)o1 308394909 1224300146 /nfs/dbraw/zinc/30/01/46/1224300146.db2.gz CQKYQPOTJBYMOY-MRVPVSSYSA-N 0 0 182.267 2.782 10 0 AFAERN CCc1noc(CC[C@@H](C)CC)n1 349602454 1224304399 /nfs/dbraw/zinc/30/43/99/1224304399.db2.gz AMFPDSUXFBWCMD-QMMMGPOBSA-N 0 0 182.267 2.611 10 0 AFAERN CC[C@@H](C)c1nnc(/C=C\SC)o1 379398294 1224313491 /nfs/dbraw/zinc/31/34/91/1224313491.db2.gz FMPNBEUZFODBSN-KXTMECRCSA-N 0 0 198.291 2.917 10 0 AFAERN CC[C@H](C)c1nnc(/C=C/SC)o1 379398297 1224313660 /nfs/dbraw/zinc/31/36/60/1224313660.db2.gz FMPNBEUZFODBSN-XPPMVYLVSA-N 0 0 198.291 2.917 10 0 AFAERN CC[C@H](C)c1nnc(/C=C\SC)o1 379398295 1224313962 /nfs/dbraw/zinc/31/39/62/1224313962.db2.gz FMPNBEUZFODBSN-RBSILHGTSA-N 0 0 198.291 2.917 10 0 AFAERN CC[C@@H](C)c1nnc(/C=C/SC)o1 379398296 1224314247 /nfs/dbraw/zinc/31/42/47/1224314247.db2.gz FMPNBEUZFODBSN-WEWAHIQMSA-N 0 0 198.291 2.917 10 0 AFAERN CCCc1nnc(C(C)(C)CC)o1 379417057 1224314650 /nfs/dbraw/zinc/31/46/50/1224314650.db2.gz TUVDJPARMVQLDS-UHFFFAOYSA-N 0 0 182.267 2.710 10 0 AFAERN C[C@@H](O)c1cccc(-c2cccnc2)c1 379825331 1224317811 /nfs/dbraw/zinc/31/78/11/1224317811.db2.gz VYZLRRQWTBCODW-SNVBAGLBSA-N 0 0 199.253 2.802 10 0 AFAERN C[C@H](O)c1cccc(-c2cccnc2)c1 379825328 1224317902 /nfs/dbraw/zinc/31/79/02/1224317902.db2.gz VYZLRRQWTBCODW-JTQLQIEISA-N 0 0 199.253 2.802 10 0 AFAERN CCC(C)(C)NC(=O)OCC(C)C 388695090 1224327062 /nfs/dbraw/zinc/32/70/62/1224327062.db2.gz LWBIEDMOUGLRRV-UHFFFAOYSA-N 0 0 187.283 2.557 10 0 AFAERN CCSCc1nnc(C2CCC2)o1 388885702 1224328213 /nfs/dbraw/zinc/32/82/13/1224328213.db2.gz JVMCBIGUZQLFLF-UHFFFAOYSA-N 0 0 198.291 2.590 10 0 AFAERN CC(C)C[C@H](C)Oc1cccnc1 388843733 1224328750 /nfs/dbraw/zinc/32/87/50/1224328750.db2.gz YWBDSTFUSAKCRP-JTQLQIEISA-N 0 0 179.263 2.895 10 0 AFAERN CC(C)C[C@@H](C)Oc1cccnc1 388843734 1224328946 /nfs/dbraw/zinc/32/89/46/1224328946.db2.gz YWBDSTFUSAKCRP-SNVBAGLBSA-N 0 0 179.263 2.895 10 0 AFAERN CCC(CC)NC(=O)OCC(C)C 388936120 1224329868 /nfs/dbraw/zinc/32/98/68/1224329868.db2.gz VONLEKFBLPEFQB-UHFFFAOYSA-N 0 0 187.283 2.557 10 0 AFAERN Cc1cscc1C1CC1 605696457 1224345859 /nfs/dbraw/zinc/34/58/59/1224345859.db2.gz VFXBJTOMYISKMB-UHFFFAOYSA-N 0 0 138.235 2.934 10 0 AFAERN CC1(CC(=O)OCC2CC=CC2)CC1 759598447 1224352199 /nfs/dbraw/zinc/35/21/99/1224352199.db2.gz AZDJCZKEYBVWJT-UHFFFAOYSA-N 0 0 194.274 2.686 10 0 AFAERN Cc1ccc(CN(C)CCF)cc1F 792459756 1224354052 /nfs/dbraw/zinc/35/40/52/1224354052.db2.gz OOPSXELKCVCKIH-UHFFFAOYSA-N 0 0 199.244 2.535 10 0 AFAERN CC/C(C)=C\C(=O)N[C@H](C)C1CCC1 827719986 1224358649 /nfs/dbraw/zinc/35/86/49/1224358649.db2.gz GQOXXEXADTXAKM-HSTULFTRSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C/C(=O)N[C@@H](C)C1CCC1 827719985 1224358673 /nfs/dbraw/zinc/35/86/73/1224358673.db2.gz GQOXXEXADTXAKM-DDXVTDLHSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C/C(=O)N[C@H](C)C1CCC1 827719984 1224358740 /nfs/dbraw/zinc/35/87/40/1224358740.db2.gz GQOXXEXADTXAKM-AAXQSMANSA-N 0 0 195.306 2.648 10 0 AFAERN C/C=C/C=C\C(=O)OCC1CCCC1 918505979 1224363494 /nfs/dbraw/zinc/36/34/94/1224363494.db2.gz GTUVLDTYRBNFNM-OQIXSKIXSA-N 0 0 194.274 2.852 10 0 AFAERN C/C=C/C=C/C(=O)OCC1CCCC1 918505978 1224363801 /nfs/dbraw/zinc/36/38/01/1224363801.db2.gz GTUVLDTYRBNFNM-DSXPNFDZSA-N 0 0 194.274 2.852 10 0 AFAERN FC(=C1CCC1)c1nnc(C2CC2)o1 1118421859 1224365091 /nfs/dbraw/zinc/36/50/91/1224365091.db2.gz HIMCVAMAVQUFMJ-UHFFFAOYSA-N 0 0 194.209 2.812 10 0 AFAERN C=C/C=C\CC(=O)N(C)C[C@H](C)CC 1146698746 1224368398 /nfs/dbraw/zinc/36/83/98/1224368398.db2.gz CDQHLGYHLXXGOR-SKVAFPRGSA-N 0 0 195.306 2.623 10 0 AFAERN C=C/C=C/CC(=O)N1CCC[C@H]1CC 1146734191 1224368613 /nfs/dbraw/zinc/36/86/13/1224368613.db2.gz HGHVQWXDJOQOEZ-MVIFTORASA-N 0 0 193.290 2.520 10 0 AFAERN C=C/C=C/CC(=O)N(C)C[C@@H](C)CC 1146698745 1224368688 /nfs/dbraw/zinc/36/86/88/1224368688.db2.gz CDQHLGYHLXXGOR-AEZGRPFRSA-N 0 0 195.306 2.623 10 0 AFAERN C=C/C=C/CC(=O)N(C)C[C@H](C)CC 1146698748 1224368780 /nfs/dbraw/zinc/36/87/80/1224368780.db2.gz CDQHLGYHLXXGOR-WSKFYRRCSA-N 0 0 195.306 2.623 10 0 AFAERN C=C/C=C/CC(=O)N1CCC[C@@H]1CC 1146734192 1224368890 /nfs/dbraw/zinc/36/88/90/1224368890.db2.gz HGHVQWXDJOQOEZ-QRGHLMKCSA-N 0 0 193.290 2.520 10 0 AFAERN C=C/C=C\CC(=O)N1CCC[C@H]1CC 1146734189 1224369002 /nfs/dbraw/zinc/36/90/02/1224369002.db2.gz HGHVQWXDJOQOEZ-ISALQUGTSA-N 0 0 193.290 2.520 10 0 AFAERN C=C/C=C\CC(=O)N(C)C[C@@H](C)CC 1146698747 1224369026 /nfs/dbraw/zinc/36/90/26/1224369026.db2.gz CDQHLGYHLXXGOR-TVRMLOFPSA-N 0 0 195.306 2.623 10 0 AFAERN C=C/C=C\CC(=O)N1CCC[C@@H]1CC 1146734187 1224369184 /nfs/dbraw/zinc/36/91/84/1224369184.db2.gz HGHVQWXDJOQOEZ-GZTOBOFZSA-N 0 0 193.290 2.520 10 0 AFAERN Cc1ccnc(NC2(C)CCC2)c1F 1156069699 1224371686 /nfs/dbraw/zinc/37/16/86/1224371686.db2.gz QGLDFZLGKYGJGA-UHFFFAOYSA-N 0 0 194.253 2.884 10 0 AFAERN Clc1ccccc1OC[C@@H]1CCO1 1225204536 1224408449 /nfs/dbraw/zinc/40/84/49/1224408449.db2.gz LQOPVYVTPMRWGO-QMMMGPOBSA-N 0 0 198.649 2.508 10 0 AFAERN Clc1ccc(OC[C@@H]2CCO2)cc1 1225254354 1224410481 /nfs/dbraw/zinc/41/04/81/1224410481.db2.gz XRNZSHSQYWGKQW-JTQLQIEISA-N 0 0 198.649 2.508 10 0 AFAERN c1cnn(CSCC2CCCC2)c1 1307409683 1224431545 /nfs/dbraw/zinc/43/15/45/1224431545.db2.gz QROKOKLGOUAARI-UHFFFAOYSA-N 0 0 196.319 2.764 10 0 AFAERN CC[C@H](C)c1nnc(COC(C)C)o1 1328338046 1224438124 /nfs/dbraw/zinc/43/81/24/1224438124.db2.gz BRBVKYCDLRSCSH-QMMMGPOBSA-N 0 0 198.266 2.508 10 0 AFAERN CC[C@@H](C)c1nnc(COC(C)C)o1 1328338043 1224439057 /nfs/dbraw/zinc/43/90/57/1224439057.db2.gz BRBVKYCDLRSCSH-MRVPVSSYSA-N 0 0 198.266 2.508 10 0 AFAERN C/C=C/C=C\C(=O)N(CC)C(C)(C)C 1328591499 1224439640 /nfs/dbraw/zinc/43/96/40/1224439640.db2.gz DOLOYVZWIUSYPL-YGKWUCAESA-N 0 0 195.306 2.766 10 0 AFAERN C/C=C/C=C/C(=O)N(CC)C(C)(C)C 1328591497 1224440143 /nfs/dbraw/zinc/44/01/43/1224440143.db2.gz DOLOYVZWIUSYPL-QGHYKFKQSA-N 0 0 195.306 2.766 10 0 AFAERN CC[C@@H](C)c1nnc(CCC2CC2)o1 1329050502 1224442707 /nfs/dbraw/zinc/44/27/07/1224442707.db2.gz BVDPKKHEWRNTLJ-MRVPVSSYSA-N 0 0 194.278 2.926 10 0 AFAERN CC[C@H](C)c1nnc(CCC2CC2)o1 1329050503 1224443189 /nfs/dbraw/zinc/44/31/89/1224443189.db2.gz BVDPKKHEWRNTLJ-QMMMGPOBSA-N 0 0 194.278 2.926 10 0 AFAERN CCc1nnc([C@@H]2CCCC23CC3)o1 1329222851 1224443969 /nfs/dbraw/zinc/44/39/69/1224443969.db2.gz OWRBFSGBDSELRS-QMMMGPOBSA-N 0 0 192.262 2.680 10 0 AFAERN CCc1nnc([C@H]2CCCC23CC3)o1 1329222850 1224444660 /nfs/dbraw/zinc/44/46/60/1224444660.db2.gz OWRBFSGBDSELRS-MRVPVSSYSA-N 0 0 192.262 2.680 10 0 AFAERN C=C/C=C\CCn1ccc(CCC)n1 1330830111 1224448093 /nfs/dbraw/zinc/44/80/93/1224448093.db2.gz HDFSQVHOAPKEFM-WAYWQWQTSA-N 0 0 190.290 2.968 10 0 AFAERN C=C/C=C/CCn1ccc(CCC)n1 1330830100 1224448706 /nfs/dbraw/zinc/44/87/06/1224448706.db2.gz HDFSQVHOAPKEFM-AATRIKPKSA-N 0 0 190.290 2.968 10 0 AFAERN CCC(C)(C)C(=O)Nc1ccns1 1331939109 1224453754 /nfs/dbraw/zinc/45/37/54/1224453754.db2.gz SYINWPUFNARISM-UHFFFAOYSA-N 0 0 198.291 2.518 10 0 AFAERN CCC[C@@H]1C[C@H]1C(=O)N(CC)C(C)C 1351110666 1224471110 /nfs/dbraw/zinc/47/11/10/1224471110.db2.gz HXDWXNLFMLIRIT-GHMZBOCLSA-N 0 0 197.322 2.680 10 0 AFAERN C=C/C=C\CC(=O)NCCCCCC 1440890262 1224472529 /nfs/dbraw/zinc/47/25/29/1224472529.db2.gz JYMDSGUSVVRWAN-VURMDHGXSA-N 0 0 195.306 2.815 10 0 AFAERN CC/C=C(\F)C(=O)Nc1ccccc1 1440566115 1224472577 /nfs/dbraw/zinc/47/25/77/1224472577.db2.gz MJCLGNBKOSAYDF-POHAHGRESA-N 0 0 193.221 2.889 10 0 AFAERN CC/C=C(/F)C(=O)Nc1ccccc1 1440566119 1224473317 /nfs/dbraw/zinc/47/33/17/1224473317.db2.gz MJCLGNBKOSAYDF-UXBLZVDNSA-N 0 0 193.221 2.889 10 0 AFAERN C=C/C=C/CC(=O)NCCCCCC 1440890246 1224473508 /nfs/dbraw/zinc/47/35/08/1224473508.db2.gz JYMDSGUSVVRWAN-SOFGYWHQSA-N 0 0 195.306 2.815 10 0 AFAERN CC[C@H](C)[C@@H](C)Sc1n[nH]c(C)n1 1458904013 1224474440 /nfs/dbraw/zinc/47/44/40/1224474440.db2.gz YNFSZCRCBQALFH-NKWVEPMBSA-N 0 0 199.323 2.640 10 0 AFAERN CC[C@@H](C)[C@@H](C)Sc1n[nH]c(C)n1 1458904014 1224474580 /nfs/dbraw/zinc/47/45/80/1224474580.db2.gz YNFSZCRCBQALFH-RNFRBKRXSA-N 0 0 199.323 2.640 10 0 AFAERN CC[C@H](C)[C@@H](C)Sc1ncc[nH]1 1458963846 1224474608 /nfs/dbraw/zinc/47/46/08/1224474608.db2.gz RVDBXPBLNMMNDY-JGVFFNPUSA-N 0 0 184.308 2.936 10 0 AFAERN CC[C@H](C)[C@H](C)Sc1ncc[nH]1 1458963867 1224474693 /nfs/dbraw/zinc/47/46/93/1224474693.db2.gz RVDBXPBLNMMNDY-YUMQZZPRSA-N 0 0 184.308 2.936 10 0 AFAERN CC[C@@H](C)[C@H](C)Sc1ncc[nH]1 1458963856 1224475049 /nfs/dbraw/zinc/47/50/49/1224475049.db2.gz RVDBXPBLNMMNDY-SFYZADRCSA-N 0 0 184.308 2.936 10 0 AFAERN CC[C@@H](C)[C@H](C)Sc1n[nH]c(C)n1 1458904015 1224475102 /nfs/dbraw/zinc/47/51/02/1224475102.db2.gz YNFSZCRCBQALFH-RQJHMYQMSA-N 0 0 199.323 2.640 10 0 AFAERN CC[C@H](C)[C@H](C)Sc1n[nH]c(C)n1 1458904012 1224475167 /nfs/dbraw/zinc/47/51/67/1224475167.db2.gz YNFSZCRCBQALFH-BQBZGAKWSA-N 0 0 199.323 2.640 10 0 AFAERN CC[C@@H](C)[C@@H](C)Sc1ncc[nH]1 1458963793 1224475247 /nfs/dbraw/zinc/47/52/47/1224475247.db2.gz RVDBXPBLNMMNDY-HTQZYQBOSA-N 0 0 184.308 2.936 10 0 AFAERN C=C/C=C/CCOc1ccc(C)cn1 1472991882 1224480402 /nfs/dbraw/zinc/48/04/02/1224480402.db2.gz DFYIWSPPMREOEV-SNAWJCMRSA-N 0 0 189.258 2.901 10 0 AFAERN C=C/C=C\CCOc1ccc(C)cn1 1472991881 1224480606 /nfs/dbraw/zinc/48/06/06/1224480606.db2.gz DFYIWSPPMREOEV-PLNGDYQASA-N 0 0 189.258 2.901 10 0 AFAERN C=C/C=C\CC(=O)N1CCCCCC1 1538700016 1224482611 /nfs/dbraw/zinc/48/26/11/1224482611.db2.gz UMYWMMYPLROMBT-UTCJRWHESA-N 0 0 193.290 2.521 10 0 AFAERN C=C/C=C/CC(=O)N1CCCCCC1 1538700017 1224482777 /nfs/dbraw/zinc/48/27/77/1224482777.db2.gz UMYWMMYPLROMBT-ZZXKWVIFSA-N 0 0 193.290 2.521 10 0 AFAERN CCc1cn(CCCCCF)cn1 1559465889 1224487599 /nfs/dbraw/zinc/48/75/99/1224487599.db2.gz FGFFAVSTGBDELF-UHFFFAOYSA-N 0 0 184.258 2.585 10 0 AFAERN CC(C)=CCN(C)Cc1nccs1 388580739 538433371 /nfs/dbraw/zinc/43/33/71/538433371.db2.gz DYROHEYVFCQVRC-UHFFFAOYSA-N 0 0 196.319 2.541 10 0 AFAERN CCCCCn1cnc(CC)c1 1614960379 1224502320 /nfs/dbraw/zinc/50/23/20/1224502320.db2.gz MDWOWZYFXHTTIS-UHFFFAOYSA-N 0 0 166.268 2.636 10 0 AFAERN C=C/C=C\CC(=O)N1[C@H](C)CC[C@H]1C 1631370058 1224504529 /nfs/dbraw/zinc/50/45/29/1224504529.db2.gz CHAOBROTZOSLDT-ADRPCIBZSA-N 0 0 193.290 2.518 10 0 AFAERN C=C/C=C\CC(=O)N1[C@@H](C)CC[C@H]1C 1631370060 1224504627 /nfs/dbraw/zinc/50/46/27/1224504627.db2.gz CHAOBROTZOSLDT-UORZZXJBSA-N 0 0 193.290 2.518 10 0 AFAERN C=C/C=C/CC(=O)N1[C@@H](C)CC[C@H]1C 1631370059 1224504849 /nfs/dbraw/zinc/50/48/49/1224504849.db2.gz CHAOBROTZOSLDT-SKUMGHAQSA-N 0 0 193.290 2.518 10 0 AFAERN C=C/C=C/CC(=O)N1[C@H](C)CC[C@H]1C 1631370061 1224504868 /nfs/dbraw/zinc/50/48/68/1224504868.db2.gz CHAOBROTZOSLDT-XIJCSBCJSA-N 0 0 193.290 2.518 10 0 AFAERN C=C/C=C\CC(=O)N[C@H](C)C(C)(C)C 1639666457 1224506981 /nfs/dbraw/zinc/50/69/81/1224506981.db2.gz VCWAHOOBDQEIBI-GQYWMQPJSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C/CC(=O)N[C@H](C)C(C)(C)C 1639666458 1224507152 /nfs/dbraw/zinc/50/71/52/1224507152.db2.gz VCWAHOOBDQEIBI-QROSGCPLSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C\CC(=O)NCC[C@@H](C)CC 1640083417 1224507667 /nfs/dbraw/zinc/50/76/67/1224507667.db2.gz YYYWRJGWIJPCDS-ZADCQDASSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C=C/CC(=O)NCC[C@@H](C)CC 1640083414 1224507955 /nfs/dbraw/zinc/50/79/55/1224507955.db2.gz YYYWRJGWIJPCDS-MLRMMBSGSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C=C\CC(=O)NCC[C@H](C)CC 1640083413 1224508059 /nfs/dbraw/zinc/50/80/59/1224508059.db2.gz YYYWRJGWIJPCDS-JMEBYUIHSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C=C/CC(=O)NCC[C@H](C)CC 1640083415 1224508304 /nfs/dbraw/zinc/50/83/04/1224508304.db2.gz YYYWRJGWIJPCDS-XUIVZRPNSA-N 0 0 195.306 2.671 10 0 AFAERN CC[C@H](C)[C@@H](C)SC1COC1 1644273416 1224511165 /nfs/dbraw/zinc/51/11/65/1224511165.db2.gz AMZNBPRGMSWFPJ-JGVFFNPUSA-N 0 0 174.309 2.553 10 0 AFAERN CC[C@@H](C)[C@@H](C)SC1COC1 1644273415 1224511350 /nfs/dbraw/zinc/51/13/50/1224511350.db2.gz AMZNBPRGMSWFPJ-HTQZYQBOSA-N 0 0 174.309 2.553 10 0 AFAERN CC[C@H](C)[C@H](C)SC1COC1 1644273418 1224511422 /nfs/dbraw/zinc/51/14/22/1224511422.db2.gz AMZNBPRGMSWFPJ-YUMQZZPRSA-N 0 0 174.309 2.553 10 0 AFAERN CCc1cn(CCCC(C)C)cn1 1644227688 1224511559 /nfs/dbraw/zinc/51/15/59/1224511559.db2.gz MQHVRFDWWCSQDY-UHFFFAOYSA-N 0 0 180.295 2.882 10 0 AFAERN CCON(CC)CC1CC(C)(C)C1 1644209951 1224511575 /nfs/dbraw/zinc/51/15/75/1224511575.db2.gz MJUVJZFNKOUUPV-UHFFFAOYSA-N 0 0 185.311 2.696 10 0 AFAERN CC[C@@H](C)[C@H](C)SC1COC1 1644273417 1224511753 /nfs/dbraw/zinc/51/17/53/1224511753.db2.gz AMZNBPRGMSWFPJ-SFYZADRCSA-N 0 0 174.309 2.553 10 0 AFAERN CCC[C@@H](C)CCNc1ncccn1 1655809858 1224516043 /nfs/dbraw/zinc/51/60/43/1224516043.db2.gz PECFWEJNDOKIQM-SNVBAGLBSA-N 0 0 193.294 2.715 10 0 AFAERN CCC[C@H](C)CCNc1ncccn1 1655809850 1224516164 /nfs/dbraw/zinc/51/61/64/1224516164.db2.gz PECFWEJNDOKIQM-JTQLQIEISA-N 0 0 193.294 2.715 10 0 AFAERN CC(C)(C)C=C1CCOCC1 675051822 538447495 /nfs/dbraw/zinc/44/74/95/538447495.db2.gz UZXIWHFEQDMVDX-UHFFFAOYSA-N 0 0 154.253 2.769 10 0 AFAERN CCCc1cc(C=O)c(C2CC2)o1 675055185 538448504 /nfs/dbraw/zinc/44/85/04/538448504.db2.gz QZTCAPXNECOSDV-UHFFFAOYSA-N 0 0 178.231 2.922 10 0 AFAERN Nc1c(F)ccc(-c2ccco2)c1F 675056721 538449595 /nfs/dbraw/zinc/44/95/95/538449595.db2.gz ONJRSUAJLGMNBH-UHFFFAOYSA-N 0 0 195.168 2.807 10 0 AFAERN Cc1ccc2c(c1)N(C)C(C)(C)CN2 76634723 526168572 /nfs/dbraw/zinc/16/85/72/526168572.db2.gz HHEASBIYGSDVDN-UHFFFAOYSA-N 0 0 190.290 2.635 10 0 AFAERN Cc1ccc2c(c1)NCC(C)(C)N2C 76634725 526171534 /nfs/dbraw/zinc/17/15/34/526171534.db2.gz OYHHXEQSAVRSMG-UHFFFAOYSA-N 0 0 190.290 2.635 10 0 AFAERN Cc1ccc2c(c1)NCCN2C(C)C 76926685 526172910 /nfs/dbraw/zinc/17/29/10/526172910.db2.gz RPMHOOXVUVWOIM-UHFFFAOYSA-N 0 0 190.290 2.635 10 0 AFAERN Cc1ccc2c(c1C)O[C@@H](C)CN2C 62521233 526223203 /nfs/dbraw/zinc/22/32/03/526223203.db2.gz FLNJASZAGIBZRV-VIFPVBQESA-N 0 0 191.274 2.521 10 0 AFAERN Cc1ccc2c(c1C)O[C@H](C)CN2C 62521231 526223291 /nfs/dbraw/zinc/22/32/91/526223291.db2.gz FLNJASZAGIBZRV-SECBINFHSA-N 0 0 191.274 2.521 10 0 AFAERN C[C@H]1CCCC[C@@H]1Nc1nncs1 69965734 526258741 /nfs/dbraw/zinc/25/87/41/526258741.db2.gz FVSCJFBNQNYDHI-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1cscc1N[C@@H]1CCO[C@@H]1C 134327574 526477319 /nfs/dbraw/zinc/47/73/19/526477319.db2.gz KEGQCOVCAHZVRB-RKDXNWHRSA-N 0 0 197.303 2.646 10 0 AFAERN c1sc([C@H]2CCCO2)nc1C1CC1 158687666 526634091 /nfs/dbraw/zinc/63/40/91/526634091.db2.gz KZSWWNQPVNPOIT-SECBINFHSA-N 0 0 195.287 2.872 10 0 AFAERN CC(=O)[C@@H]1CC[C@H](C)C1(C)C 2017443 527132099 /nfs/dbraw/zinc/13/20/99/527132099.db2.gz RCFONYWGTLQPJF-CBAPKCEASA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)[C@@H]1CC[C@@H](C)C1(C)C 2017444 527132460 /nfs/dbraw/zinc/13/24/60/527132460.db2.gz RCFONYWGTLQPJF-APPZFPTMSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)[C@H]1CC[C@@H](C)C1(C)C 2017446 527150873 /nfs/dbraw/zinc/15/08/73/527150873.db2.gz RCFONYWGTLQPJF-VXNVDRBHSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)[C@H]1CC[C@H](C)C1(C)C 2017445 527151099 /nfs/dbraw/zinc/15/10/99/527151099.db2.gz RCFONYWGTLQPJF-IONNQARKSA-N 0 0 154.253 2.648 10 0 AFAERN FC(F)(F)Oc1cnccc1Cl 238544415 527676484 /nfs/dbraw/zinc/67/64/84/527676484.db2.gz IPSOZIVRGVNYLR-UHFFFAOYSA-N 0 0 197.543 2.634 10 0 AFAERN CC1[C@@H](C)CC[C@@H]1C 2034541 528275844 /nfs/dbraw/zinc/27/58/44/528275844.db2.gz VCWNHOPGKQCXIQ-BQBZGAKWSA-N 0 0 112.216 2.689 10 0 AFAERN CC[C@@H](C(=O)OCl)c1ccccc1 504806728 529298541 /nfs/dbraw/zinc/29/85/41/529298541.db2.gz CMZAHLJGGLMNAC-SECBINFHSA-N 0 0 198.649 2.877 10 0 in-vitro AFAERN CC[C@H](C(=O)OCl)c1ccccc1 504806729 529628128 /nfs/dbraw/zinc/62/81/28/529628128.db2.gz CMZAHLJGGLMNAC-VIFPVBQESA-N 0 0 198.649 2.877 10 0 in-vitro AFAERN CCCN1CCCc2cccc(O)c21 73635781 534916039 /nfs/dbraw/zinc/91/60/39/534916039.db2.gz IMYLSAVBUAHEBX-UHFFFAOYSA-N 0 0 191.274 2.555 10 0 AFAERN CCCN1c2ccccc2NC[C@@H]1C 57923480 535002985 /nfs/dbraw/zinc/00/29/85/535002985.db2.gz CFWLDZMQEUFQMM-JTQLQIEISA-N 0 0 190.290 2.717 10 0 AFAERN CCCN1c2ccccc2NC[C@H]1C 57923487 535003723 /nfs/dbraw/zinc/00/37/23/535003723.db2.gz CFWLDZMQEUFQMM-SNVBAGLBSA-N 0 0 190.290 2.717 10 0 AFAERN CC1=C[C@@H](C)N=CN1c1ccccc1 4661771 535245662 /nfs/dbraw/zinc/24/56/62/535245662.db2.gz SIIVKMGNENQJRM-SNVBAGLBSA-N 0 0 186.258 2.827 10 0 AFAERN CC1=C[C@H](C)N=CN1c1ccccc1 4661772 535251394 /nfs/dbraw/zinc/25/13/94/535251394.db2.gz SIIVKMGNENQJRM-JTQLQIEISA-N 0 0 186.258 2.827 10 0 AFAERN CC[C@H]1CNc2ccccc2N1CC 57923285 536169617 /nfs/dbraw/zinc/16/96/17/536169617.db2.gz RGZBPEYHQLWNEX-JTQLQIEISA-N 0 0 190.290 2.717 10 0 AFAERN COc1cccc2c1N(C)CC[C@@H]2C 29568826 536959231 /nfs/dbraw/zinc/95/92/31/536959231.db2.gz QAEWDFDKEHSOJG-VIFPVBQESA-N 0 0 191.274 2.639 10 0 AFAERN COc1cccc2c1N(C)CC[C@H]2C 29568828 536959807 /nfs/dbraw/zinc/95/98/07/536959807.db2.gz QAEWDFDKEHSOJG-SECBINFHSA-N 0 0 191.274 2.639 10 0 AFAERN Oc1ccc(/C=C/Br)cc1 13523591 537776953 /nfs/dbraw/zinc/77/69/53/537776953.db2.gz BEBYUMZXLGWXSW-AATRIKPKSA-N 0 0 199.047 2.758 10 0 in-vitro AFAERN CC(C)C1CCC2(CC1)OCCC2=O 675071269 537784490 /nfs/dbraw/zinc/78/44/90/537784490.db2.gz ZOBKZZHMKYMERX-UHFFFAOYSA-N 0 0 196.290 2.561 10 0 AFAERN CN(Cc1ccco1)Cc1ccco1 33641111 537786099 /nfs/dbraw/zinc/78/60/99/537786099.db2.gz CCORTXFXSICWFH-UHFFFAOYSA-N 0 0 191.230 2.505 10 0 AFAERN CC(C)(C)c1onc(C2CC2)c1C=O 675074818 537790112 /nfs/dbraw/zinc/79/01/12/537790112.db2.gz BDTPFGIPIYJTIR-UHFFFAOYSA-N 0 0 193.246 2.662 10 0 AFAERN CC(C)c1noc(C(C)C)c1C=O 675075129 537791058 /nfs/dbraw/zinc/79/10/58/537791058.db2.gz HBNOMLICDRFUHN-UHFFFAOYSA-N 0 0 181.235 2.734 10 0 AFAERN Cc1cn(Cc2ccccc2)c(C)n1 34355153 537792183 /nfs/dbraw/zinc/79/21/83/537792183.db2.gz FIIUXOFFAKRNDO-UHFFFAOYSA-N 0 0 186.258 2.548 10 0 AFAERN CCN(C)c1cc(C)c(C=O)cc1C 675075465 537794440 /nfs/dbraw/zinc/79/44/40/537794440.db2.gz PNXYIMDLCNRDNJ-UHFFFAOYSA-N 0 0 191.274 2.572 10 0 AFAERN CC(C)c1noc(C(C)(C)C)c1C=O 675075851 537795344 /nfs/dbraw/zinc/79/53/44/537795344.db2.gz VVDWEQWBVYLCAR-UHFFFAOYSA-N 0 0 195.262 2.908 10 0 AFAERN CCCc1onc(C(C)C)c1C=O 675075337 537795443 /nfs/dbraw/zinc/79/54/43/537795443.db2.gz MTBAIAIZXHCZQX-UHFFFAOYSA-N 0 0 181.235 2.563 10 0 AFAERN O=C1C[C@H](C2CC2)CC2(CC2)C1 675079426 537803096 /nfs/dbraw/zinc/80/30/96/537803096.db2.gz FVJMGXMAYJOCEY-VIFPVBQESA-N 0 0 164.248 2.546 10 0 AFAERN CCCC1CCC2(CC1)OCCC2=O 675079612 537803139 /nfs/dbraw/zinc/80/31/39/537803139.db2.gz FHBBXIUJBOLBKB-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN O=C1C[C@@H](C2CC2)CC2(CC2)C1 675079423 537805748 /nfs/dbraw/zinc/80/57/48/537805748.db2.gz FVJMGXMAYJOCEY-SECBINFHSA-N 0 0 164.248 2.546 10 0 AFAERN CC[C@@H]1CC(=O)CC2(CC2)C1 675080899 537806963 /nfs/dbraw/zinc/80/69/63/537806963.db2.gz XTMUBWYMKFTHIX-MRVPVSSYSA-N 0 0 152.237 2.546 10 0 AFAERN O=Cc1cc(-c2ccsn2)cs1 675082608 537807142 /nfs/dbraw/zinc/80/71/42/537807142.db2.gz QDHYLGWIOALBJL-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN O=Cc1csc(-c2ccncc2)c1 675082583 537807221 /nfs/dbraw/zinc/80/72/21/537807221.db2.gz NINQBJGJSSJIEJ-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN O=Cc1cscc1-c1ccoc1 675082687 537807966 /nfs/dbraw/zinc/80/79/66/537807966.db2.gz WXILSMZSPCYGCB-UHFFFAOYSA-N 0 0 178.212 2.821 10 0 AFAERN Cc1ccccc1[C@@]12CC[C@@H](C1)C2=O 675081235 537808007 /nfs/dbraw/zinc/80/80/07/537808007.db2.gz NMHOUXQVOIUSFD-GXFFZTMASA-N 0 0 186.254 2.616 10 0 AFAERN Cc1cccc([C@@]23CC[C@@H](C2)C3=O)c1 675081153 537808699 /nfs/dbraw/zinc/80/86/99/537808699.db2.gz JTZQEYJLHSBJAB-GXFFZTMASA-N 0 0 186.254 2.616 10 0 AFAERN Cc1cc(-c2cscc2C=O)on1 675082679 537808869 /nfs/dbraw/zinc/80/88/69/537808869.db2.gz WCDUMLFOEPPSIA-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(=O)c1ccc(-c2ccoc2)o1 675082543 537808994 /nfs/dbraw/zinc/80/89/94/537808994.db2.gz JYSMNHMUOZFUIJ-UHFFFAOYSA-N 0 0 176.171 2.742 10 0 AFAERN Cc1cc(-c2ccc(C=O)s2)on1 675082009 537809080 /nfs/dbraw/zinc/80/90/80/537809080.db2.gz BEEWQUHAIHPBIV-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1cc(-c2cc(C=O)cs2)on1 675082644 537809143 /nfs/dbraw/zinc/80/91/43/537809143.db2.gz RZHNWCXWIYFQAA-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN O=Cc1csc(-c2ccco2)c1 675082642 537809274 /nfs/dbraw/zinc/80/92/74/537809274.db2.gz RSPUNVLPRFEDOI-UHFFFAOYSA-N 0 0 178.212 2.821 10 0 AFAERN CC[C@H]1CC(=O)CC2(CC2)C1 675080901 537809340 /nfs/dbraw/zinc/80/93/40/537809340.db2.gz XTMUBWYMKFTHIX-QMMMGPOBSA-N 0 0 152.237 2.546 10 0 AFAERN O=Cc1csc(-c2ccoc2)c1 675082695 537809545 /nfs/dbraw/zinc/80/95/45/537809545.db2.gz XPXMQQZCFQTKJF-UHFFFAOYSA-N 0 0 178.212 2.821 10 0 AFAERN C=Cc1cnc2[nH]cc(C)c2c1 685948683 537825372 /nfs/dbraw/zinc/82/53/72/537825372.db2.gz TWOPWCYAPPJBOJ-UHFFFAOYSA-N 0 0 158.204 2.514 10 0 AFAERN Cc1ccc2ccc3c(c2c1)NCCN3 685949127 537827506 /nfs/dbraw/zinc/82/75/06/537827506.db2.gz JLFSINCBXRSSGF-UHFFFAOYSA-N 0 0 198.269 2.986 10 0 AFAERN CCC(=O)c1cc(SC)ccc1N 38866387 537828772 /nfs/dbraw/zinc/82/87/72/537828772.db2.gz UDYLKXFHZDFELT-UHFFFAOYSA-N 0 0 195.287 2.583 10 0 AFAERN Cc1ccc(SCC[C@H](C)O)cc1 38584670 537828177 /nfs/dbraw/zinc/82/81/77/537828177.db2.gz YOXIODUVKDVQQT-JTQLQIEISA-N 0 0 196.315 2.858 10 0 AFAERN Cc1ccc(SCC[C@@H](C)O)cc1 38584666 537829713 /nfs/dbraw/zinc/82/97/13/537829713.db2.gz YOXIODUVKDVQQT-SNVBAGLBSA-N 0 0 196.315 2.858 10 0 AFAERN COC(=O)C[C@@H]1CC[C@@H](C)[C@H](C)C1 685951247 537831445 /nfs/dbraw/zinc/83/14/45/537831445.db2.gz BLCWPDJWBICIGK-OPRDCNLKSA-N 0 0 184.279 2.622 10 0 AFAERN COC(=O)C[C@@H]1CC[C@@H](C)[C@@H](C)C1 685951244 537831484 /nfs/dbraw/zinc/83/14/84/537831484.db2.gz BLCWPDJWBICIGK-KXUCPTDWSA-N 0 0 184.279 2.622 10 0 AFAERN COC(=O)C[C@@H]1CC[C@H](C)[C@H](C)C1 685951243 537832128 /nfs/dbraw/zinc/83/21/28/537832128.db2.gz BLCWPDJWBICIGK-IVZWLZJFSA-N 0 0 184.279 2.622 10 0 AFAERN COC(=O)C[C@@H]1CC[C@H](C)[C@@H](C)C1 685951246 537833344 /nfs/dbraw/zinc/83/33/44/537833344.db2.gz BLCWPDJWBICIGK-LPEHRKFASA-N 0 0 184.279 2.622 10 0 AFAERN CCCCc1n[nH]c2c1C[C@@H](C)CC2 685952374 537834335 /nfs/dbraw/zinc/83/43/35/537834335.db2.gz IIDOMVGWHOKCPJ-VIFPVBQESA-N 0 0 192.306 2.877 10 0 AFAERN CC1(C(F)(F)F)CCC(=O)CC1 685952465 537834685 /nfs/dbraw/zinc/83/46/85/537834685.db2.gz MFYHUNKZUHPJNI-UHFFFAOYSA-N 0 0 180.169 2.698 10 0 AFAERN CCc1n[nH]c2c1C[C@@H](C(C)C)CC2 685952878 537834914 /nfs/dbraw/zinc/83/49/14/537834914.db2.gz RAGZCUXMFVDSLZ-VIFPVBQESA-N 0 0 192.306 2.733 10 0 AFAERN CCc1n[nH]c2c1C[C@H](C(C)C)CC2 685952876 537835078 /nfs/dbraw/zinc/83/50/78/537835078.db2.gz RAGZCUXMFVDSLZ-SECBINFHSA-N 0 0 192.306 2.733 10 0 AFAERN CSc1ccc2c(c1)CCC2 39207678 537835399 /nfs/dbraw/zinc/83/53/99/537835399.db2.gz FSZFUDWOKOEVBV-UHFFFAOYSA-N 0 0 164.273 2.897 10 0 AFAERN CCC[C@@H]1CCc2[nH]nc(CC)c2C1 685953080 537835467 /nfs/dbraw/zinc/83/54/67/537835467.db2.gz RZHXAMOSKZJTGO-SECBINFHSA-N 0 0 192.306 2.877 10 0 AFAERN CCCCc1n[nH]c2c1C[C@H](C)CC2 685952373 537835693 /nfs/dbraw/zinc/83/56/93/537835693.db2.gz IIDOMVGWHOKCPJ-SECBINFHSA-N 0 0 192.306 2.877 10 0 AFAERN C=Cc1cncc2cnn(C(C)C)c12 685952212 537835968 /nfs/dbraw/zinc/83/59/68/537835968.db2.gz ASSSEKFWCGRBCA-UHFFFAOYSA-N 0 0 187.246 2.655 10 0 AFAERN CCCCc1[nH]nc2c1CSCC2 685952401 537836029 /nfs/dbraw/zinc/83/60/29/537836029.db2.gz JMEOJQWUCJQNHD-UHFFFAOYSA-N 0 0 196.319 2.542 10 0 AFAERN Cc1[nH]nc2c1C[C@H](C(C)(C)C)CC2 685953645 537838702 /nfs/dbraw/zinc/83/87/02/537838702.db2.gz YALPGGLIIOWPST-SECBINFHSA-N 0 0 192.306 2.869 10 0 AFAERN CCCCOc1ccc(C)nc1 39409636 537837264 /nfs/dbraw/zinc/83/72/64/537837264.db2.gz RLFSZUPYKRYPTQ-UHFFFAOYSA-N 0 0 165.236 2.569 10 0 AFAERN CCC[C@@H]1CCc2n[nH]c(C)c2C1 685952419 537837432 /nfs/dbraw/zinc/83/74/32/537837432.db2.gz KGRIHJJRFMMKJS-SECBINFHSA-N 0 0 178.279 2.623 10 0 AFAERN CC(C)Cc1n[nH]c2c1C[C@H](C)CC2 685953110 537837447 /nfs/dbraw/zinc/83/74/47/537837447.db2.gz SFGNGTMBOKQSKY-SECBINFHSA-N 0 0 192.306 2.733 10 0 AFAERN CC(C)Cc1n[nH]c2c1C[C@@H](C)CC2 685953115 537837703 /nfs/dbraw/zinc/83/77/03/537837703.db2.gz SFGNGTMBOKQSKY-VIFPVBQESA-N 0 0 192.306 2.733 10 0 AFAERN CCC[C@H]1CCc2n[nH]c(C)c2C1 685952420 537837837 /nfs/dbraw/zinc/83/78/37/537837837.db2.gz KGRIHJJRFMMKJS-VIFPVBQESA-N 0 0 178.279 2.623 10 0 AFAERN CCC[C@H]1CCc2[nH]nc(CC)c2C1 685953082 537838160 /nfs/dbraw/zinc/83/81/60/537838160.db2.gz RZHXAMOSKZJTGO-VIFPVBQESA-N 0 0 192.306 2.877 10 0 AFAERN Cc1[nH]nc2c1C[C@@H](C(C)(C)C)CC2 685953646 537838925 /nfs/dbraw/zinc/83/89/25/537838925.db2.gz YALPGGLIIOWPST-VIFPVBQESA-N 0 0 192.306 2.869 10 0 AFAERN Cc1cccc(N[C@@H]2CC2(C)C)n1 45135589 537851472 /nfs/dbraw/zinc/85/14/72/537851472.db2.gz MDASEZVQXUACQU-SECBINFHSA-N 0 0 176.263 2.600 10 0 AFAERN Cc1ccnc(N[C@@H]2CC2(C)C)c1 45135629 537852831 /nfs/dbraw/zinc/85/28/31/537852831.db2.gz VCJJHPOKXATXGH-SECBINFHSA-N 0 0 176.263 2.600 10 0 AFAERN CCC[C@@H]1CC(=O)NC12CCCCC2 685958937 537860485 /nfs/dbraw/zinc/86/04/85/537860485.db2.gz IKGQLRIGTWLBQI-SNVBAGLBSA-N 0 0 195.306 2.626 10 0 AFAERN CCC[C@H]1CC(=O)NC12CCCCC2 685958936 537861385 /nfs/dbraw/zinc/86/13/85/537861385.db2.gz IKGQLRIGTWLBQI-JTQLQIEISA-N 0 0 195.306 2.626 10 0 AFAERN CC[C@@]1(C)CC(=O)NC12CCCCC2 685960045 537863849 /nfs/dbraw/zinc/86/38/49/537863849.db2.gz YDLILDWHIXCBGJ-NSHDSACASA-N 0 0 195.306 2.626 10 0 AFAERN COCCCCCNc1ccsc1 685960825 537864492 /nfs/dbraw/zinc/86/44/92/537864492.db2.gz DTXQDSFQLKXHTG-UHFFFAOYSA-N 0 0 199.319 2.977 10 0 AFAERN Cc1nc2cccc(Cl)c2cc1O 685963200 537870108 /nfs/dbraw/zinc/87/01/08/537870108.db2.gz JAJUKVQPKBEMNI-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CCCc1nc2ccccc2cc1O 685963472 537871900 /nfs/dbraw/zinc/87/19/00/537871900.db2.gz PCYVYUYDGALZDH-UHFFFAOYSA-N 0 0 187.242 2.893 10 0 AFAERN CC[C@]1(C)CC(=O)NC12CCCCC2 685960044 537864909 /nfs/dbraw/zinc/86/49/09/537864909.db2.gz YDLILDWHIXCBGJ-LLVKDONJSA-N 0 0 195.306 2.626 10 0 AFAERN O=C(C=C(O)C1CC1)C1CCCCC1 70952978 537865019 /nfs/dbraw/zinc/86/50/19/537865019.db2.gz KEBNILQAAGELPU-UHFFFAOYSA-N 0 0 194.274 2.505 10 0 AFAERN CO[C@H](C)CCCNc1ccsc1 685961676 537866234 /nfs/dbraw/zinc/86/62/34/537866234.db2.gz UVEVDAHFHLLISZ-SECBINFHSA-N 0 0 199.319 2.975 10 0 AFAERN CCc1ccccc1-c1cccc(N)n1 74237656 537867174 /nfs/dbraw/zinc/86/71/74/537867174.db2.gz JPSUHIWOBLTUFD-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CO[C@@H](C)CCCNc1ccsc1 685961679 537867238 /nfs/dbraw/zinc/86/72/38/537867238.db2.gz UVEVDAHFHLLISZ-VIFPVBQESA-N 0 0 199.319 2.975 10 0 AFAERN CC(C)(C)CC[C@@H](N)C(F)(F)F 74299510 537867537 /nfs/dbraw/zinc/86/75/37/537867537.db2.gz JZIYOTGZVDJZJR-ZCFIWIBFSA-N 0 0 183.217 2.702 10 0 AFAERN CC(C)c1cccc2c1NCCC2=O 71481808 537868419 /nfs/dbraw/zinc/86/84/19/537868419.db2.gz OWBSBJZVCBSLAY-UHFFFAOYSA-N 0 0 189.258 2.808 10 0 AFAERN CC(C)(C)CC[C@H](N)C(F)(F)F 74299509 537868482 /nfs/dbraw/zinc/86/84/82/537868482.db2.gz JZIYOTGZVDJZJR-LURJTMIESA-N 0 0 183.217 2.702 10 0 AFAERN Oc1cc2ccccc2nc1CC1CC1 685962983 537869759 /nfs/dbraw/zinc/86/97/59/537869759.db2.gz CQARVSJCEXZWHE-UHFFFAOYSA-N 0 0 199.253 2.893 10 0 AFAERN Cc1nc2c(Cl)cccc2cc1O 685962989 537869920 /nfs/dbraw/zinc/86/99/20/537869920.db2.gz CTKWNUFLJJJCNC-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1nc2cc(Cl)ccc2cc1O 685963467 537869976 /nfs/dbraw/zinc/86/99/76/537869976.db2.gz PBEXZRIUANOJNB-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CC(C)CCCCCn1cc(N)cn1 77295890 537870740 /nfs/dbraw/zinc/87/07/40/537870740.db2.gz OXSVOWCMLDMTAH-UHFFFAOYSA-N 0 0 195.310 2.682 10 0 AFAERN CCc1nc2cc(F)ccc2cc1O 685962948 537870929 /nfs/dbraw/zinc/87/09/29/537870929.db2.gz BJAXDDZXGNMINR-UHFFFAOYSA-N 0 0 191.205 2.642 10 0 AFAERN CCc1ccc2nc(C)c(O)cc2c1 685963322 537871335 /nfs/dbraw/zinc/87/13/35/537871335.db2.gz LXJXKQAACLLCSV-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN CCc1nc2ccc(C)cc2cc1O 685963163 537871672 /nfs/dbraw/zinc/87/16/72/537871672.db2.gz IAGGIUGKRSMOQK-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN CCc1nc2c(F)cccc2cc1O 685963461 537871905 /nfs/dbraw/zinc/87/19/05/537871905.db2.gz OYDRZKSTZSHOPT-UHFFFAOYSA-N 0 0 191.205 2.642 10 0 AFAERN C=C(OCC)c1ccc(C)cc1N 685965001 537872487 /nfs/dbraw/zinc/87/24/87/537872487.db2.gz KGYYTOHUEUIXKQ-UHFFFAOYSA-N 0 0 177.247 2.584 10 0 AFAERN C=C(OCC)c1cccc(Cl)n1 685965044 537872518 /nfs/dbraw/zinc/87/25/18/537872518.db2.gz MCDDPVMOLKAOJC-UHFFFAOYSA-N 0 0 183.638 2.742 10 0 AFAERN C=C(OCC)c1ccc(C)cc1O 685964651 537872559 /nfs/dbraw/zinc/87/25/59/537872559.db2.gz BAAZPWLGBUZOLK-UHFFFAOYSA-N 0 0 178.231 2.708 10 0 AFAERN Cc1cccnc1/C=C/Br 685964643 537872695 /nfs/dbraw/zinc/87/26/95/537872695.db2.gz QMKMALFFLHKEPG-SNAWJCMRSA-N 0 0 198.063 2.756 10 0 AFAERN Br/C=C/c1cnsc1 685964708 537872734 /nfs/dbraw/zinc/87/27/34/537872734.db2.gz SOEVTIHVAKCSDG-OWOJBTEDSA-N 0 0 190.065 2.509 10 0 AFAERN C=C(OCC)c1ccc(N)c(Cl)c1 685965026 537872831 /nfs/dbraw/zinc/87/28/31/537872831.db2.gz LIBQGLNJVQWASV-UHFFFAOYSA-N 0 0 197.665 2.929 10 0 AFAERN C=C(OCC)c1cc(Cl)ccn1 685964633 537872876 /nfs/dbraw/zinc/87/28/76/537872876.db2.gz ARDCBLCNVOERLI-UHFFFAOYSA-N 0 0 183.638 2.742 10 0 AFAERN C=C(OCC)c1ccc(NC)cc1 685964943 537873060 /nfs/dbraw/zinc/87/30/60/537873060.db2.gz HSWJNRRQBJNRKJ-UHFFFAOYSA-N 0 0 177.247 2.736 10 0 AFAERN CCc1nc2ccc(F)cc2cc1O 685963817 537873126 /nfs/dbraw/zinc/87/31/26/537873126.db2.gz XNISLADZLGJJSM-UHFFFAOYSA-N 0 0 191.205 2.642 10 0 AFAERN C=C(OCC)c1ccc(N)cc1C 685964711 537873135 /nfs/dbraw/zinc/87/31/35/537873135.db2.gz CBEIXIKWCICKAW-UHFFFAOYSA-N 0 0 177.247 2.584 10 0 AFAERN CCc1nc2c(C)cccc2cc1O 685963783 537873144 /nfs/dbraw/zinc/87/31/44/537873144.db2.gz WSVVBTQSVFUCFG-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN C=C(OCC)c1ccc(N)c(CC)c1 685964918 537873345 /nfs/dbraw/zinc/87/33/45/537873345.db2.gz GTWMWDFVUCELCJ-UHFFFAOYSA-N 0 0 191.274 2.838 10 0 AFAERN CCCC[C@@H](CC)Cn1cnc(N)c1 685964158 537873352 /nfs/dbraw/zinc/87/33/52/537873352.db2.gz CRYRAQZWBPZLON-SNVBAGLBSA-N 0 0 195.310 2.682 10 0 AFAERN CC1(/C=C/Br)CC1 685964423 537873475 /nfs/dbraw/zinc/87/34/75/537873475.db2.gz GFRFHSFRULFKGR-SNAWJCMRSA-N 0 0 161.042 2.695 10 0 AFAERN C=C(OCC)c1cc(F)c(N)cc1F 685964935 537873494 /nfs/dbraw/zinc/87/34/94/537873494.db2.gz HDRXSYYHHVMQRQ-UHFFFAOYSA-N 0 0 199.200 2.554 10 0 AFAERN C=C(OCC)c1ccc(O)c(C)c1 685964662 537873543 /nfs/dbraw/zinc/87/35/43/537873543.db2.gz BEPYGWAQSWATIZ-UHFFFAOYSA-N 0 0 178.231 2.708 10 0 AFAERN C=C(OCC)c1ccc(Cl)c(N)c1 685964938 537873573 /nfs/dbraw/zinc/87/35/73/537873573.db2.gz HIFRAHVSTXLIQM-UHFFFAOYSA-N 0 0 197.665 2.929 10 0 AFAERN C=C(OCC)c1ccc2c(c1)NCC2 685965064 537873586 /nfs/dbraw/zinc/87/35/86/537873586.db2.gz MZSIXVZSDCUKEO-UHFFFAOYSA-N 0 0 189.258 2.662 10 0 AFAERN C=C(OCC)c1cccc(F)c1C=O 685964759 537873687 /nfs/dbraw/zinc/87/36/87/537873687.db2.gz CUOAEOUYZJXBPD-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN C=C(OCC)c1ccc(C=O)cc1C 685965065 537873693 /nfs/dbraw/zinc/87/36/93/537873693.db2.gz MZXNBGXLEPTLTR-UHFFFAOYSA-N 0 0 190.242 2.815 10 0 AFAERN C=C(OCC)c1cc(C)cc(N)c1 685964776 537873811 /nfs/dbraw/zinc/87/38/11/537873811.db2.gz DFFANMPDKNIOHW-UHFFFAOYSA-N 0 0 177.247 2.584 10 0 AFAERN C=C(OCC)c1c(F)cc(N)cc1F 685964809 537873814 /nfs/dbraw/zinc/87/38/14/537873814.db2.gz DXFXRCNJHTWEKF-UHFFFAOYSA-N 0 0 199.200 2.554 10 0 AFAERN C=C(OCC)c1ccc(C=O)c(C)c1 685964797 537873844 /nfs/dbraw/zinc/87/38/44/537873844.db2.gz DRAUUIYRJMXOAV-UHFFFAOYSA-N 0 0 190.242 2.815 10 0 AFAERN C=C(OCC)c1cccc2c1CCN2 685965045 537873848 /nfs/dbraw/zinc/87/38/48/537873848.db2.gz MCEJGDZSMNBPCV-UHFFFAOYSA-N 0 0 189.258 2.662 10 0 AFAERN C=C(OCC)c1cc(C)ccc1C=O 685965007 537873869 /nfs/dbraw/zinc/87/38/69/537873869.db2.gz KMGKGBYYRBVOAW-UHFFFAOYSA-N 0 0 190.242 2.815 10 0 AFAERN C=C(OCC)c1ccc(F)cc1C=O 685965021 537873876 /nfs/dbraw/zinc/87/38/76/537873876.db2.gz LAYXXXIJWZXNOV-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN CCCC[C@H](CC)Cn1cnc(N)c1 685964157 537873914 /nfs/dbraw/zinc/87/39/14/537873914.db2.gz CRYRAQZWBPZLON-JTQLQIEISA-N 0 0 195.310 2.682 10 0 AFAERN CSC1(/C=C/Br)CC1 685964464 537873975 /nfs/dbraw/zinc/87/39/75/537873975.db2.gz IHALUYHBXAFHPX-SNAWJCMRSA-N 0 0 193.109 2.791 10 0 AFAERN C=C(OCC)c1cc(F)ccc1O 685964953 537874015 /nfs/dbraw/zinc/87/40/15/537874015.db2.gz IDEOTZTZTKUZQI-UHFFFAOYSA-N 0 0 182.194 2.539 10 0 AFAERN Cc1coc(/C=C/Br)c1 685964434 537874032 /nfs/dbraw/zinc/87/40/32/537874032.db2.gz GRRDTNCDMQNLFZ-NSCUHMNNSA-N 0 0 187.036 2.954 10 0 AFAERN C=C(OCC)c1ccc(O)cc1F 685964656 537874094 /nfs/dbraw/zinc/87/40/94/537874094.db2.gz BAYVIVUJBXELFG-UHFFFAOYSA-N 0 0 182.194 2.539 10 0 AFAERN C=C(OCC)c1cc(C=O)ccc1F 685965011 537874274 /nfs/dbraw/zinc/87/42/74/537874274.db2.gz KPVIJOVJRPMKMI-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN C=C(OCC)c1cccc(N)c1C 685964976 537874350 /nfs/dbraw/zinc/87/43/50/537874350.db2.gz JEUZEYAWRZFEFA-UHFFFAOYSA-N 0 0 177.247 2.584 10 0 AFAERN Cc1nc2c(C)cccc2cc1O 685963821 537874356 /nfs/dbraw/zinc/87/43/56/537874356.db2.gz XUIYRXHFJWAIQD-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN C=C(OCC)c1nc(Cl)cs1 685964648 537874455 /nfs/dbraw/zinc/87/44/55/537874455.db2.gz AYSFCGYIAPMMGC-UHFFFAOYSA-N 0 0 189.667 2.804 10 0 AFAERN C=C(OCC)c1ccc(F)cc1O 685965010 537874462 /nfs/dbraw/zinc/87/44/62/537874462.db2.gz KPUMNRSZWTWYGJ-UHFFFAOYSA-N 0 0 182.194 2.539 10 0 AFAERN Br/C=C/[C@H]1CCSC1 685964837 537874726 /nfs/dbraw/zinc/87/47/26/537874726.db2.gz VQBOKZHTDUAHRQ-VWYTZYABSA-N 0 0 193.109 2.648 10 0 AFAERN C=C(OCC)c1cc(C=O)ccc1C 685964710 537874791 /nfs/dbraw/zinc/87/47/91/537874791.db2.gz BZXMIRFQPPPRJH-UHFFFAOYSA-N 0 0 190.242 2.815 10 0 AFAERN C=C(OCC)c1cc(O)cc(F)c1 685965069 537874883 /nfs/dbraw/zinc/87/48/83/537874883.db2.gz NMHNNHCVMGDYMR-UHFFFAOYSA-N 0 0 182.194 2.539 10 0 AFAERN C=C(OCC)c1ccc(C=O)c(F)c1 685965063 537874934 /nfs/dbraw/zinc/87/49/34/537874934.db2.gz MVJSNGIQGKPSKD-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN Cc1ncccc1/C=C/Br 685963896 537874943 /nfs/dbraw/zinc/87/49/43/537874943.db2.gz IBRLIKVYAUATNF-SNAWJCMRSA-N 0 0 198.063 2.756 10 0 AFAERN C=C(OCC)c1cc(N)c(C)cc1F 685964967 537874974 /nfs/dbraw/zinc/87/49/74/537874974.db2.gz ISMOWUTXAICEMK-UHFFFAOYSA-N 0 0 195.237 2.724 10 0 AFAERN Br/C=C/[C@@H]1CCSC1 685964836 537874984 /nfs/dbraw/zinc/87/49/84/537874984.db2.gz VQBOKZHTDUAHRQ-OFRQFNDLSA-N 0 0 193.109 2.648 10 0 AFAERN C=C(OCC)c1cc(O)ccc1C 685964808 537875073 /nfs/dbraw/zinc/87/50/73/537875073.db2.gz DWWYHKMLHRITOR-UHFFFAOYSA-N 0 0 178.231 2.708 10 0 AFAERN C=C(OCC)c1cc(Cl)ccc1N 685964957 537875254 /nfs/dbraw/zinc/87/52/54/537875254.db2.gz IIKNXKYEUUTTJT-UHFFFAOYSA-N 0 0 197.665 2.929 10 0 AFAERN C=C(OCC)c1ccc(Cl)cc1N 685964954 537875284 /nfs/dbraw/zinc/87/52/84/537875284.db2.gz IFCPDGGKVWCCRP-UHFFFAOYSA-N 0 0 197.665 2.929 10 0 AFAERN C=C(OCC)c1cccc(N)c1Cl 685964779 537875299 /nfs/dbraw/zinc/87/52/99/537875299.db2.gz DHRCQLMTXPIZHP-UHFFFAOYSA-N 0 0 197.665 2.929 10 0 AFAERN C=C(OCC)c1cccc2c1NCC2 685965842 537875781 /nfs/dbraw/zinc/87/57/81/537875781.db2.gz VMOAENYQKNWVNB-UHFFFAOYSA-N 0 0 189.258 2.662 10 0 AFAERN C=C(OCC)c1cccc(C=O)c1 685965172 537875819 /nfs/dbraw/zinc/87/58/19/537875819.db2.gz RVOQLOHOKJFEHO-UHFFFAOYSA-N 0 0 176.215 2.506 10 0 AFAERN C=C(OCC)c1ccc(F)c(C=O)c1 685965287 537875894 /nfs/dbraw/zinc/87/58/94/537875894.db2.gz YFCPROPYZSCKTL-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN C=C(OCC)c1cccc(C)c1N 685965153 537875903 /nfs/dbraw/zinc/87/59/03/537875903.db2.gz QVSNVMRTHREDJF-UHFFFAOYSA-N 0 0 177.247 2.584 10 0 AFAERN C=C(OCC)c1cc(F)c(N)cc1C 685965176 537875977 /nfs/dbraw/zinc/87/59/77/537875977.db2.gz RZQSKACVNVTENJ-UHFFFAOYSA-N 0 0 195.237 2.724 10 0 AFAERN C=C(OCC)c1ccc2c(c1)CCN2 685965315 537876070 /nfs/dbraw/zinc/87/60/70/537876070.db2.gz ZKIPVWBKQGRSOF-UHFFFAOYSA-N 0 0 189.258 2.662 10 0 AFAERN C=C(OCC)c1cc(N)ccc1C 685965243 537876306 /nfs/dbraw/zinc/87/63/06/537876306.db2.gz VQSVAJJGDNFQQM-UHFFFAOYSA-N 0 0 177.247 2.584 10 0 AFAERN C=C(OCC)c1ccc(O)c(F)c1 685965341 537876347 /nfs/dbraw/zinc/87/63/47/537876347.db2.gz AICABIXRRSXJRO-UHFFFAOYSA-N 0 0 182.194 2.539 10 0 AFAERN C=C(OCC)c1ccccc1C=O 685965093 537876400 /nfs/dbraw/zinc/87/64/00/537876400.db2.gz ORFHIAFUCLDJEB-UHFFFAOYSA-N 0 0 176.215 2.506 10 0 AFAERN C=C(OCC)c1cccc(C=O)c1F 685965302 537876675 /nfs/dbraw/zinc/87/66/75/537876675.db2.gz YUFFHKOIMBDQIH-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN C=C(OCC)c1cccc(O)c1F 685965318 537876757 /nfs/dbraw/zinc/87/67/57/537876757.db2.gz ZNPPDOFZTWPRQN-UHFFFAOYSA-N 0 0 182.194 2.539 10 0 AFAERN CC[C@@H](C)n1cc2ccc(N)cc2n1 685965882 537876825 /nfs/dbraw/zinc/87/68/25/537876825.db2.gz XQQRZEDNFQFVAZ-MRVPVSSYSA-N 0 0 189.262 2.590 10 0 AFAERN C=C(OCC)c1cc(C)ccc1N 685965347 537877142 /nfs/dbraw/zinc/87/71/42/537877142.db2.gz APXDHUOJHPPMEH-UHFFFAOYSA-N 0 0 177.247 2.584 10 0 AFAERN C=C(OCC)c1cccc(C(C)=O)c1 685965316 537877147 /nfs/dbraw/zinc/87/71/47/537877147.db2.gz ZKIROLAZSLUVOU-UHFFFAOYSA-N 0 0 190.242 2.896 10 0 AFAERN C=C(OCC)c1ccc(N)c(C)c1 685965308 537877228 /nfs/dbraw/zinc/87/72/28/537877228.db2.gz ZBXZLYGXCKMJPV-UHFFFAOYSA-N 0 0 177.247 2.584 10 0 AFAERN C=C(OCC)c1ccccc1C(C)=O 685965086 537877235 /nfs/dbraw/zinc/87/72/35/537877235.db2.gz OHJXEOYCVGMZRC-UHFFFAOYSA-N 0 0 190.242 2.896 10 0 AFAERN C=C(OCC)c1ccc(N)cc1Cl 685965088 537877416 /nfs/dbraw/zinc/87/74/16/537877416.db2.gz OLUQUHOTEJJRGR-UHFFFAOYSA-N 0 0 197.665 2.929 10 0 AFAERN C=C(OCC)c1cc(F)ccc1C=O 685965295 537877534 /nfs/dbraw/zinc/87/75/34/537877534.db2.gz YLMNYIYWKVRYHI-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN C=C(OCC)c1cccc(F)c1O 685965266 537877626 /nfs/dbraw/zinc/87/76/26/537877626.db2.gz WRHXGIONCAHKJC-UHFFFAOYSA-N 0 0 182.194 2.539 10 0 AFAERN CC[C@H](C)n1cc2ccc(N)cc2n1 685965883 537877849 /nfs/dbraw/zinc/87/78/49/537877849.db2.gz XQQRZEDNFQFVAZ-QMMMGPOBSA-N 0 0 189.262 2.590 10 0 AFAERN C=C(OCC)c1ccc(O)cc1C 685965244 537877866 /nfs/dbraw/zinc/87/78/66/537877866.db2.gz VTRBMUJMITVZMJ-UHFFFAOYSA-N 0 0 178.231 2.708 10 0 AFAERN CCn1ccnc1-c1cccc(F)c1 78043397 537877966 /nfs/dbraw/zinc/87/79/66/537877966.db2.gz PDWKXUINVVZPGO-UHFFFAOYSA-N 0 0 190.221 2.709 10 0 AFAERN C=C(OCC)c1cc(C)ccc1O 685965222 537878034 /nfs/dbraw/zinc/87/80/34/537878034.db2.gz UNUIQNOQUBVOIM-UHFFFAOYSA-N 0 0 178.231 2.708 10 0 AFAERN CC[C@H](C)c1c[nH]c2ncc(N)cc12 685965840 537878378 /nfs/dbraw/zinc/87/83/78/537878378.db2.gz VKKFVQHYZNBQRP-ZETCQYMHSA-N 0 0 189.262 2.659 10 0 AFAERN CC[C@@H](C)c1c[nH]c2ncc(N)cc12 685965839 537878434 /nfs/dbraw/zinc/87/84/34/537878434.db2.gz VKKFVQHYZNBQRP-SSDOTTSWSA-N 0 0 189.262 2.659 10 0 AFAERN C=C(OCC)c1ccc(C)c(N)c1 685965218 537878575 /nfs/dbraw/zinc/87/85/75/537878575.db2.gz UMIHFIRYYYKLQF-UHFFFAOYSA-N 0 0 177.247 2.584 10 0 AFAERN C[C@H](C[C@@H](O)c1cn[nH]c1)C(C)(C)C 710745900 537880838 /nfs/dbraw/zinc/88/08/38/537880838.db2.gz MHCQWQQWMUGPFK-PSASIEDQSA-N 0 0 196.294 2.515 10 0 AFAERN C[C@@H](C[C@@H](O)c1cn[nH]c1)C(C)(C)C 710745902 537881191 /nfs/dbraw/zinc/88/11/91/537881191.db2.gz MHCQWQQWMUGPFK-WCBMZHEXSA-N 0 0 196.294 2.515 10 0 AFAERN CC(C)C(C)(C)C[C@H](O)c1cn[nH]c1 713264019 537881654 /nfs/dbraw/zinc/88/16/54/537881654.db2.gz BMIDDVCRTMMYEI-JTQLQIEISA-N 0 0 196.294 2.515 10 0 AFAERN C[C@@H](C[C@H](O)c1cn[nH]c1)C(C)(C)C 710745903 537881803 /nfs/dbraw/zinc/88/18/03/537881803.db2.gz MHCQWQQWMUGPFK-WPRPVWTQSA-N 0 0 196.294 2.515 10 0 AFAERN CC(C)C(C)(C)C[C@@H](O)c1cn[nH]c1 713264021 537881845 /nfs/dbraw/zinc/88/18/45/537881845.db2.gz BMIDDVCRTMMYEI-SNVBAGLBSA-N 0 0 196.294 2.515 10 0 AFAERN C[C@H](C[C@H](O)c1cn[nH]c1)C(C)(C)C 710745901 537882026 /nfs/dbraw/zinc/88/20/26/537882026.db2.gz MHCQWQQWMUGPFK-SCZZXKLOSA-N 0 0 196.294 2.515 10 0 AFAERN CCC(C)(C)Cn1nc(C)c(N)c1C 713206225 537882510 /nfs/dbraw/zinc/88/25/10/537882510.db2.gz GZQAFQASZCPVTM-UHFFFAOYSA-N 0 0 195.310 2.518 10 0 AFAERN CC[C@H]1CCCC[C@@H]1n1ccc(N)n1 82657743 537883762 /nfs/dbraw/zinc/88/37/62/537883762.db2.gz BZWVATASDGHMEG-UWVGGRQHSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@H]1CCCC[C@H]1n1ccc(N)n1 82657745 537883971 /nfs/dbraw/zinc/88/39/71/537883971.db2.gz BZWVATASDGHMEG-VHSXEESVSA-N 0 0 193.294 2.607 10 0 AFAERN CC(C)=C(C)CCn1nc(N)cc1C 718524596 537884319 /nfs/dbraw/zinc/88/43/19/537884319.db2.gz GEHJSKKYVVVGDN-UHFFFAOYSA-N 0 0 193.294 2.520 10 0 AFAERN CC(C)=C(C)CCn1cc(N)c(C)n1 718532771 537884447 /nfs/dbraw/zinc/88/44/47/537884447.db2.gz KVULQUIJYIBOPQ-UHFFFAOYSA-N 0 0 193.294 2.520 10 0 AFAERN CC(C)=C(C)CCn1cc(C)c(N)n1 718524388 537884602 /nfs/dbraw/zinc/88/46/02/537884602.db2.gz FEKNUSWFUPXZCP-UHFFFAOYSA-N 0 0 193.294 2.520 10 0 AFAERN CC(C)=C(C)CC[C@H](O)c1cn[nH]c1 718696012 537884743 /nfs/dbraw/zinc/88/47/43/537884743.db2.gz QLFOBQMDDXYRIG-NSHDSACASA-N 0 0 194.278 2.580 10 0 AFAERN CC[C@@H]1CCCC[C@H]1n1ccc(N)n1 82657744 537884747 /nfs/dbraw/zinc/88/47/47/537884747.db2.gz BZWVATASDGHMEG-NXEZZACHSA-N 0 0 193.294 2.607 10 0 AFAERN CCC(=O)C1=C(O)C(C)(C)CCCC1 719284795 537885236 /nfs/dbraw/zinc/88/52/36/537885236.db2.gz HRQRPYPXYYRCEK-VIFPVBQESA-N 0 0 196.290 2.751 10 0 AFAERN CC(C)=C(C)CCn1ncc(N)c1C 718532091 537885372 /nfs/dbraw/zinc/88/53/72/537885372.db2.gz JIAJNRZBJFVTAY-UHFFFAOYSA-N 0 0 193.294 2.520 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1n1ccc(N)n1 82657742 537886136 /nfs/dbraw/zinc/88/61/36/537886136.db2.gz BZWVATASDGHMEG-ZJUUUORDSA-N 0 0 193.294 2.607 10 0 AFAERN CCC(=O)C1=C(O)C(C)(C)CCCC1 719284015 537886220 /nfs/dbraw/zinc/88/62/20/537886220.db2.gz HRQRPYPXYYRCEK-SECBINFHSA-N 0 0 196.290 2.751 10 0 AFAERN CC(C)=C(C)CC[C@@H](O)c1cn[nH]c1 718695999 537886320 /nfs/dbraw/zinc/88/63/20/537886320.db2.gz QLFOBQMDDXYRIG-LLVKDONJSA-N 0 0 194.278 2.580 10 0 AFAERN CCCc1cc(Cl)cnc1F 725241240 537887944 /nfs/dbraw/zinc/88/79/44/537887944.db2.gz FUMOAHNSBKOAPI-UHFFFAOYSA-N 0 0 173.618 2.827 10 0 AFAERN Nc1ccc2ccn(C3CCC3)c2c1 724149837 537888669 /nfs/dbraw/zinc/88/86/69/537888669.db2.gz GZHPFXHXTAVHPF-UHFFFAOYSA-N 0 0 186.258 2.949 10 0 AFAERN O=C1CC[C@@H](Sc2ccccc2)C1 82819832 537888711 /nfs/dbraw/zinc/88/87/11/537888711.db2.gz ZNDRUNFYLFHRGD-LLVKDONJSA-N 0 0 192.283 2.900 10 0 AFAERN Nc1ccc2c(ccn2C2CCC2)c1 724151728 537889180 /nfs/dbraw/zinc/88/91/80/537889180.db2.gz TXHRSMOWUTZHKH-UHFFFAOYSA-N 0 0 186.258 2.949 10 0 AFAERN Fc1ncc(Cl)cc1C1CC1 725241450 537889368 /nfs/dbraw/zinc/88/93/68/537889368.db2.gz RDYDSJGCGJAFSZ-UHFFFAOYSA-N 0 0 171.602 2.752 10 0 AFAERN CCC1CCC(n2cc(N)cn2)CC1 82848528 537889758 /nfs/dbraw/zinc/88/97/58/537889758.db2.gz FJWLYPRWGNNPFZ-UHFFFAOYSA-N 0 0 193.294 2.607 10 0 AFAERN Nc1cccc2ccn(C3CCC3)c12 724151906 537889920 /nfs/dbraw/zinc/88/99/20/537889920.db2.gz UUBVJFJZUGBJLY-UHFFFAOYSA-N 0 0 186.258 2.949 10 0 AFAERN C=Cc1ccc(-c2cccc(N)n2)cc1 725241535 537890058 /nfs/dbraw/zinc/89/00/58/537890058.db2.gz WMCQNYCYXXQWQU-UHFFFAOYSA-N 0 0 196.253 2.974 10 0 AFAERN CCC1CCC(n2ccc(N)n2)CC1 82848532 537890209 /nfs/dbraw/zinc/89/02/09/537890209.db2.gz JYIIFYALPLPBJS-UHFFFAOYSA-N 0 0 193.294 2.607 10 0 AFAERN Cc1nn(C(C)C)cc1NCC1CC1 725242479 537893948 /nfs/dbraw/zinc/89/39/48/537893948.db2.gz JDTVKNAVHOXKEX-UHFFFAOYSA-N 0 0 193.294 2.594 10 0 AFAERN CCc1ccc2c(c1)C1(CC1)CN2 82868118 537894331 /nfs/dbraw/zinc/89/43/31/537894331.db2.gz CJPOYHMXSPEVGN-UHFFFAOYSA-N 0 0 173.259 2.706 10 0 AFAERN CCCCCC(O)=C(C)C(=O)C1CC1 83053902 537894639 /nfs/dbraw/zinc/89/46/39/537894639.db2.gz TVMQNVQCWYURFY-VIFPVBQESA-N 0 0 196.290 2.751 10 0 AFAERN CCc1cccc2c1NCC21CC1 82868119 537895179 /nfs/dbraw/zinc/89/51/79/537895179.db2.gz OKFGVHNPIONVIT-UHFFFAOYSA-N 0 0 173.259 2.706 10 0 AFAERN O=Cc1sccc1-c1ccoc1 725246053 537895431 /nfs/dbraw/zinc/89/54/31/537895431.db2.gz QDACYAUYLJDROO-UHFFFAOYSA-N 0 0 178.212 2.821 10 0 AFAERN CCCCCC(O)=C(C)C(=O)C1CC1 83053899 537896394 /nfs/dbraw/zinc/89/63/94/537896394.db2.gz TVMQNVQCWYURFY-SECBINFHSA-N 0 0 196.290 2.751 10 0 AFAERN CC(C)c1cc(Cl)n2ncnc2c1 725245754 537897825 /nfs/dbraw/zinc/89/78/25/537897825.db2.gz FVLVPKXRYPHDMQ-UHFFFAOYSA-N 0 0 195.653 2.506 10 0 AFAERN CC[C@H]1CCC[C@H](n2cnc(N)c2)C1 725247368 537898362 /nfs/dbraw/zinc/89/83/62/537898362.db2.gz NVQSOOUUUOWUCF-UWVGGRQHSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@H]1CCC[C@@H](n2cnc(N)c2)C1 725247369 537898849 /nfs/dbraw/zinc/89/88/49/537898849.db2.gz NVQSOOUUUOWUCF-VHSXEESVSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@@H]1CCC[C@H](n2cnc(N)c2)C1 725247370 537900162 /nfs/dbraw/zinc/90/01/62/537900162.db2.gz NVQSOOUUUOWUCF-ZJUUUORDSA-N 0 0 193.294 2.607 10 0 AFAERN CCC1CCC(n2cnc(N)c2)CC1 725247437 537900734 /nfs/dbraw/zinc/90/07/34/537900734.db2.gz YLRRSIGMZXQGNN-UHFFFAOYSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@@H]1CCC[C@@H](n2cnc(N)c2)C1 725247367 537900766 /nfs/dbraw/zinc/90/07/66/537900766.db2.gz NVQSOOUUUOWUCF-NXEZZACHSA-N 0 0 193.294 2.607 10 0 AFAERN Cc1c(N)cnn1[C@H]1CCCC[C@H]1C 725249259 537903934 /nfs/dbraw/zinc/90/39/34/537903934.db2.gz QFZMYWNUMOYMNM-KCJUWKMLSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@H]1CCCC[C@H]1n1cnc(N)c1 725249079 537904242 /nfs/dbraw/zinc/90/42/42/537904242.db2.gz GCMCROFMFYDQMF-VHSXEESVSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1n1cnc(N)c1 725249080 537904489 /nfs/dbraw/zinc/90/44/89/537904489.db2.gz GCMCROFMFYDQMF-ZJUUUORDSA-N 0 0 193.294 2.607 10 0 AFAERN Cc1c(N)cnn1[C@@H]1CCCC[C@@H]1C 725249258 537905052 /nfs/dbraw/zinc/90/50/52/537905052.db2.gz QFZMYWNUMOYMNM-GZMMTYOYSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1c(N)cnn1[C@@H]1CCCC[C@H]1C 725249261 537905283 /nfs/dbraw/zinc/90/52/83/537905283.db2.gz QFZMYWNUMOYMNM-LDYMZIIASA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@H]1CCCC[C@@H]1n1cnc(N)c1 725249078 537905835 /nfs/dbraw/zinc/90/58/35/537905835.db2.gz GCMCROFMFYDQMF-UWVGGRQHSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@@H]1CCCC[C@H]1n1cnc(N)c1 725249077 537906515 /nfs/dbraw/zinc/90/65/15/537906515.db2.gz GCMCROFMFYDQMF-NXEZZACHSA-N 0 0 193.294 2.607 10 0 AFAERN Cc1c(N)cnn1[C@H]1CCCC[C@@H]1C 725249260 537906616 /nfs/dbraw/zinc/90/66/16/537906616.db2.gz QFZMYWNUMOYMNM-KWQFWETISA-N 0 0 193.294 2.525 10 0 AFAERN Cc1c(N)cnn1[C@@H]1CCC[C@H](C)C1 725249427 537907673 /nfs/dbraw/zinc/90/76/73/537907673.db2.gz HYZNSZPXPATYJF-WCBMZHEXSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1c(N)cnn1[C@H]1CCC[C@H](C)C1 725249428 537908724 /nfs/dbraw/zinc/90/87/24/537908724.db2.gz HYZNSZPXPATYJF-WPRPVWTQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1c(N)cnn1C1CCC(C)CC1 725249418 537909114 /nfs/dbraw/zinc/90/91/14/537909114.db2.gz GADUTGCBMUZWRM-UHFFFAOYSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1c(N)cnn1[C@@H]1CCC[C@@H](C)C1 725249425 537909294 /nfs/dbraw/zinc/90/92/94/537909294.db2.gz HYZNSZPXPATYJF-PSASIEDQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1c(N)cnn1[C@H]1CCC[C@@H](C)C1 725249426 537909673 /nfs/dbraw/zinc/90/96/73/537909673.db2.gz HYZNSZPXPATYJF-SCZZXKLOSA-N 0 0 193.294 2.525 10 0 AFAERN F/C(=C/c1cccnc1)C(F)(F)F 725255015 537917989 /nfs/dbraw/zinc/91/79/89/537917989.db2.gz NZAPSAOHUQYHEJ-QPJJXVBHSA-N 0 0 191.127 2.954 10 0 AFAERN CCC(=O)CSc1cccc(F)c1 85089888 537912680 /nfs/dbraw/zinc/91/26/80/537912680.db2.gz DWNGFEFOKGINMN-UHFFFAOYSA-N 0 0 198.262 2.897 10 0 AFAERN F/C(=C/c1ccncc1)C(F)(F)F 725255201 537917212 /nfs/dbraw/zinc/91/72/12/537917212.db2.gz WEMLUTATUSZVKN-FNORWQNLSA-N 0 0 191.127 2.954 10 0 AFAERN CC(C)(C)c1cc2cc(F)cnc2[nH]1 725254277 537918814 /nfs/dbraw/zinc/91/88/14/537918814.db2.gz VQJLFUBZTXNNOM-UHFFFAOYSA-N 0 0 192.237 3.000 10 0 AFAERN C[C@@H]1CCCN[C@H](C(F)(F)F)CC1 725255969 537920822 /nfs/dbraw/zinc/92/08/22/537920822.db2.gz MJOURYBRAAZJNF-SFYZADRCSA-N 0 0 195.228 2.717 10 0 AFAERN CCOc1cccc(C=O)c1C1CC1 725257102 537921474 /nfs/dbraw/zinc/92/14/74/537921474.db2.gz GWZDDFZZTRVTQM-UHFFFAOYSA-N 0 0 190.242 2.775 10 0 AFAERN CCc1noc(C2CCCC2)c1C=O 725256052 537921502 /nfs/dbraw/zinc/92/15/02/537921502.db2.gz SKADHUNYBHBYPZ-UHFFFAOYSA-N 0 0 193.246 2.707 10 0 AFAERN Cc1cc(C=O)c(C2CC2)cc1C 725257731 537921665 /nfs/dbraw/zinc/92/16/65/537921665.db2.gz VIDJGBKWQQHLIU-UHFFFAOYSA-N 0 0 174.243 2.993 10 0 AFAERN CCC(O)=CC(=O)C(C(C)C)C(C)C 725257614 537922306 /nfs/dbraw/zinc/92/23/06/537922306.db2.gz SMGZHUGKBFTUAQ-UHFFFAOYSA-N 0 0 198.306 2.853 10 0 AFAERN C[C@H]1CCCN[C@@H](C(F)(F)F)CC1 725255968 537923066 /nfs/dbraw/zinc/92/30/66/537923066.db2.gz MJOURYBRAAZJNF-JGVFFNPUSA-N 0 0 195.228 2.717 10 0 AFAERN C[C@@H]1CCCN[C@@H](C(F)(F)F)CC1 725255967 537923206 /nfs/dbraw/zinc/92/32/06/537923206.db2.gz MJOURYBRAAZJNF-HTQZYQBOSA-N 0 0 195.228 2.717 10 0 AFAERN C[C@H]1CCCN[C@H](C(F)(F)F)CC1 725255970 537923602 /nfs/dbraw/zinc/92/36/02/537923602.db2.gz MJOURYBRAAZJNF-YUMQZZPRSA-N 0 0 195.228 2.717 10 0 AFAERN O=C1CCCCCC1=C(O)C1CCC1 725258396 537924308 /nfs/dbraw/zinc/92/43/08/537924308.db2.gz NASKDUJSFMNRGM-JTQLQIEISA-N 0 0 194.274 2.505 10 0 AFAERN C=Cc1nc2c(F)cccc2o1 725260493 537924477 /nfs/dbraw/zinc/92/44/77/537924477.db2.gz UUYLTMPRPNBXIN-UHFFFAOYSA-N 0 0 163.151 2.610 10 0 AFAERN C=Cc1c[nH]c2nccc(Cl)c12 725260799 537924581 /nfs/dbraw/zinc/92/45/81/537924581.db2.gz ZPRLLUAYJLCGIV-UHFFFAOYSA-N 0 0 178.622 2.859 10 0 AFAERN C=Cc1nc2ccc(F)cc2o1 725260514 537925290 /nfs/dbraw/zinc/92/52/90/537925290.db2.gz VOXVHWBVJBHXOQ-UHFFFAOYSA-N 0 0 163.151 2.610 10 0 AFAERN O=C1CCCCCC1=C(O)C1CCC1 725258397 537925450 /nfs/dbraw/zinc/92/54/50/537925450.db2.gz NASKDUJSFMNRGM-SNVBAGLBSA-N 0 0 194.274 2.505 10 0 AFAERN O=C(C=C(O)C1CCC1)C1CCCC1 725258365 537925931 /nfs/dbraw/zinc/92/59/31/537925931.db2.gz HEJZULVMVQQWER-UHFFFAOYSA-N 0 0 194.274 2.505 10 0 AFAERN C=Cc1nc2cc(F)ccc2o1 725259476 537926103 /nfs/dbraw/zinc/92/61/03/537926103.db2.gz CALAAHBGKHNPRT-UHFFFAOYSA-N 0 0 163.151 2.610 10 0 AFAERN O=Cc1cc(Cl)c2occc2c1 725261996 537928114 /nfs/dbraw/zinc/92/81/14/537928114.db2.gz QDLHNFOWBPZLQP-UHFFFAOYSA-N 0 0 180.590 2.899 10 0 AFAERN CC[C@H](C)Cc1ccc(N)c(C)n1 725261761 537928267 /nfs/dbraw/zinc/92/82/67/537928267.db2.gz FVXQSHBWLJDTAX-QMMMGPOBSA-N 0 0 178.279 2.561 10 0 AFAERN CC[C@@H](C)Cc1ccc(N)c(C)n1 725261760 537929678 /nfs/dbraw/zinc/92/96/78/537929678.db2.gz FVXQSHBWLJDTAX-MRVPVSSYSA-N 0 0 178.279 2.561 10 0 AFAERN Fc1cccc(C2=CCCOC2)c1 725272333 537932002 /nfs/dbraw/zinc/93/20/02/537932002.db2.gz BLWXBKMDESYQEN-UHFFFAOYSA-N 0 0 178.206 2.629 10 0 AFAERN Cc1ccc(C2=CCCOC2)cc1F 725272881 537936374 /nfs/dbraw/zinc/93/63/74/537936374.db2.gz OFWOFBDTVQQJSZ-UHFFFAOYSA-N 0 0 192.233 2.938 10 0 AFAERN Fc1ccc(C2=CCCOC2)cc1 725272679 537937158 /nfs/dbraw/zinc/93/71/58/537937158.db2.gz KASXLRDFHWUVPA-UHFFFAOYSA-N 0 0 178.206 2.629 10 0 AFAERN CC(=O)CCSc1cccc(F)c1 87112140 537938063 /nfs/dbraw/zinc/93/80/63/537938063.db2.gz NYZONFIJPUSWGO-UHFFFAOYSA-N 0 0 198.262 2.897 10 0 AFAERN Cc1ccc(N)c(NC2CCC2)c1 87150091 537938570 /nfs/dbraw/zinc/93/85/70/537938570.db2.gz YWGWIBAUBLLMIO-UHFFFAOYSA-N 0 0 176.263 2.542 10 0 AFAERN CC(C)[C@H](C)Nc1ncc(Cl)cn1 93536429 537941114 /nfs/dbraw/zinc/94/11/14/537941114.db2.gz DTYGKXPFDCXGEN-ZETCQYMHSA-N 0 0 199.685 2.586 10 0 AFAERN CC(C)[C@@H](C)Nc1ncc(Cl)cn1 93536428 537941655 /nfs/dbraw/zinc/94/16/55/537941655.db2.gz DTYGKXPFDCXGEN-SSDOTTSWSA-N 0 0 199.685 2.586 10 0 AFAERN CCCNc1cc(Cl)ccc1N 96373579 537945075 /nfs/dbraw/zinc/94/50/75/537945075.db2.gz QYKFHWQXCZTDCE-UHFFFAOYSA-N 0 0 184.670 2.744 10 0 AFAERN CCc1cc(NC)ccc1C 104705467 537955248 /nfs/dbraw/zinc/95/52/48/537955248.db2.gz SEHLFXGODHFZCZ-UHFFFAOYSA-N 0 0 149.237 2.599 10 0 AFAERN C=Cc1cccc2ncccc12 115633467 537970206 /nfs/dbraw/zinc/97/02/06/537970206.db2.gz QGYWBOYHABDNIE-UHFFFAOYSA-N 0 0 155.200 2.878 10 0 AFAERN CC(C)(C)C(=O)C1=C(O)C(C)(C)CC1 125059476 537977266 /nfs/dbraw/zinc/97/72/66/537977266.db2.gz NGPLVRAPKBOMJZ-QMMMGPOBSA-N 0 0 196.290 2.607 10 0 AFAERN CC(C)(C)C(=O)C1=C(O)C(C)(C)CC1 125059201 537977449 /nfs/dbraw/zinc/97/74/49/537977449.db2.gz NGPLVRAPKBOMJZ-MRVPVSSYSA-N 0 0 196.290 2.607 10 0 AFAERN CCCCNc1c(C)cccc1N 125544838 537979839 /nfs/dbraw/zinc/97/98/39/537979839.db2.gz YZDLFBISHLMYQR-UHFFFAOYSA-N 0 0 178.279 2.789 10 0 AFAERN CC(=O)c1ccc(-c2cocn2)cc1 139749403 537990303 /nfs/dbraw/zinc/99/03/03/537990303.db2.gz XPYGVECPHFHOBW-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN C[C@H](CC(C)(C)C)C(=O)NC(C)(C)C 144866206 537998771 /nfs/dbraw/zinc/99/87/71/537998771.db2.gz JEXALQGFTHJOLH-SECBINFHSA-N 0 0 199.338 2.973 10 0 AFAERN C[C@@H](CC(C)(C)C)C(=O)NC(C)(C)C 144865994 537998839 /nfs/dbraw/zinc/99/88/39/537998839.db2.gz JEXALQGFTHJOLH-VIFPVBQESA-N 0 0 199.338 2.973 10 0 AFAERN CC[C@H](C)c1csc(N(C)C)n1 146605714 537998963 /nfs/dbraw/zinc/99/89/63/537998963.db2.gz WVHPZVWDRQCJTD-ZETCQYMHSA-N 0 0 184.308 2.723 10 0 AFAERN CCCCCOc1cccnc1C 146673360 537999252 /nfs/dbraw/zinc/99/92/52/537999252.db2.gz BKYHHAZOBHSOJK-UHFFFAOYSA-N 0 0 179.263 2.959 10 0 AFAERN CCOCCN(CC)c1ccccc1 145724966 537999470 /nfs/dbraw/zinc/99/94/70/537999470.db2.gz DVHTZYZBKUFUOA-UHFFFAOYSA-N 0 0 193.290 2.549 10 0 AFAERN Cc1ccccc1SC[C@@H](C)CO 145651637 538001622 /nfs/dbraw/zinc/00/16/22/538001622.db2.gz VTHGBEKZGHYTCB-VIFPVBQESA-N 0 0 196.315 2.716 10 0 AFAERN CC[C@@H](C)c1csc(N(C)C)n1 146605517 538001752 /nfs/dbraw/zinc/00/17/52/538001752.db2.gz WVHPZVWDRQCJTD-SSDOTTSWSA-N 0 0 184.308 2.723 10 0 AFAERN CCCc1nc(CC(C)(C)C)no1 147993757 538004046 /nfs/dbraw/zinc/00/40/46/538004046.db2.gz PMDCIDPXLGGCOD-UHFFFAOYSA-N 0 0 182.267 2.611 10 0 AFAERN CCCCSc1nc(C)co1 147501545 538004906 /nfs/dbraw/zinc/00/49/06/538004906.db2.gz FIVZZSQNOFRFCO-UHFFFAOYSA-N 0 0 171.265 2.875 10 0 AFAERN Cc1cc2cc(F)ccc2nc1C 149990147 538006363 /nfs/dbraw/zinc/00/63/63/538006363.db2.gz DHYICNMSXAQBKD-UHFFFAOYSA-N 0 0 175.206 2.991 10 0 AFAERN CN(C)c1ccc2nc(Cl)oc2c1 149225078 538008538 /nfs/dbraw/zinc/00/85/38/538008538.db2.gz WXSLUWPVYOCPRF-UHFFFAOYSA-N 0 0 196.637 2.547 10 0 AFAERN CNc1ccc(-c2cccc(N)c2)cc1 149730488 538010476 /nfs/dbraw/zinc/01/04/76/538010476.db2.gz YMJUJKDGUKFXJA-UHFFFAOYSA-N 0 0 198.269 2.978 10 0 AFAERN Fc1ccc(NCCCC2CC2)nc1 157054893 538015253 /nfs/dbraw/zinc/01/52/53/538015253.db2.gz GJHFUISCNWOMLQ-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN Nc1cccc(-c2ccccc2C=O)c1 150258386 538015357 /nfs/dbraw/zinc/01/53/57/538015357.db2.gz AWYGZPDZRAZYKT-UHFFFAOYSA-N 0 0 197.237 2.748 10 0 AFAERN COCCCCOc1cccc(C)c1 158927358 538031704 /nfs/dbraw/zinc/03/17/04/538031704.db2.gz DVLNKBRCPSDDQM-UHFFFAOYSA-N 0 0 194.274 2.800 10 0 AFAERN COC[C@@H](C)CNc1ccccc1C 163298242 538079753 /nfs/dbraw/zinc/07/97/53/538079753.db2.gz OEWPTZGNHXFJSI-JTQLQIEISA-N 0 0 193.290 2.689 10 0 AFAERN COC[C@@H](C)CNc1ccc(F)cc1 163297064 538079834 /nfs/dbraw/zinc/07/98/34/538079834.db2.gz FOFBSWOZFUACOK-VIFPVBQESA-N 0 0 197.253 2.520 10 0 AFAERN COC[C@@H](C)CNc1cccc(F)c1 163296728 538079903 /nfs/dbraw/zinc/07/99/03/538079903.db2.gz OSOPWSOVINMJQJ-VIFPVBQESA-N 0 0 197.253 2.520 10 0 AFAERN COC[C@H](C)CNc1ccccc1C 163298139 538080021 /nfs/dbraw/zinc/08/00/21/538080021.db2.gz OEWPTZGNHXFJSI-SNVBAGLBSA-N 0 0 193.290 2.689 10 0 AFAERN COC[C@H](C)CNc1ccccc1F 163297482 538081154 /nfs/dbraw/zinc/08/11/54/538081154.db2.gz QVYANNLUUSHYIM-SECBINFHSA-N 0 0 197.253 2.520 10 0 AFAERN COC[C@H](C)CNc1ccc(F)cc1 163297150 538081366 /nfs/dbraw/zinc/08/13/66/538081366.db2.gz FOFBSWOZFUACOK-SECBINFHSA-N 0 0 197.253 2.520 10 0 AFAERN COC[C@@H](C)CNc1cccc(C)c1 163292943 538081409 /nfs/dbraw/zinc/08/14/09/538081409.db2.gz GJNLFZORSXRUCV-NSHDSACASA-N 0 0 193.290 2.689 10 0 AFAERN COC[C@@H](C)CNc1ccccc1F 163297388 538081490 /nfs/dbraw/zinc/08/14/90/538081490.db2.gz QVYANNLUUSHYIM-VIFPVBQESA-N 0 0 197.253 2.520 10 0 AFAERN COC[C@H](C)CNc1cccc(C)c1 163292817 538081500 /nfs/dbraw/zinc/08/15/00/538081500.db2.gz GJNLFZORSXRUCV-LLVKDONJSA-N 0 0 193.290 2.689 10 0 AFAERN COC[C@H](C)CNc1cccc(F)c1 163296833 538081564 /nfs/dbraw/zinc/08/15/64/538081564.db2.gz OSOPWSOVINMJQJ-SECBINFHSA-N 0 0 197.253 2.520 10 0 AFAERN CO[C@H](C)CCCNc1ccccc1 166740797 538164585 /nfs/dbraw/zinc/16/45/85/538164585.db2.gz XGFGTXNPTMFVCM-LLVKDONJSA-N 0 0 193.290 2.914 10 0 AFAERN CCCC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C 166872345 538164909 /nfs/dbraw/zinc/16/49/09/538164909.db2.gz SVSRRPCIEAMUQI-VWYCJHECSA-N 0 0 197.322 2.680 10 0 AFAERN CO[C@@H](C)CCCNc1ccccc1 166740691 538165851 /nfs/dbraw/zinc/16/58/51/538165851.db2.gz XGFGTXNPTMFVCM-NSHDSACASA-N 0 0 193.290 2.914 10 0 AFAERN CC(C)C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C 166875011 538165935 /nfs/dbraw/zinc/16/59/35/538165935.db2.gz RBFDLCDTNOIUJH-VWYCJHECSA-N 0 0 197.322 2.535 10 0 AFAERN CCCC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C 166872570 538165989 /nfs/dbraw/zinc/16/59/89/538165989.db2.gz SVSRRPCIEAMUQI-MXWKQRLJSA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)C(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C 166875228 538166691 /nfs/dbraw/zinc/16/66/91/538166691.db2.gz RBFDLCDTNOIUJH-MXWKQRLJSA-N 0 0 197.322 2.535 10 0 AFAERN CCc1csc(NC[C@H]2C[C@@H]2C)n1 167106343 538167634 /nfs/dbraw/zinc/16/76/34/538167634.db2.gz NJARAPALHIPXNJ-JGVFFNPUSA-N 0 0 196.319 2.773 10 0 AFAERN CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)o1 167303275 538167779 /nfs/dbraw/zinc/16/77/79/538167779.db2.gz GLEITZLCVHNVRX-ATZCPNFKSA-N 0 0 193.290 2.901 10 0 AFAERN CCc1csc(NC[C@H]2C[C@H]2C)n1 167106528 538167854 /nfs/dbraw/zinc/16/78/54/538167854.db2.gz NJARAPALHIPXNJ-HTQZYQBOSA-N 0 0 196.319 2.773 10 0 AFAERN CCc1csc(NC[C@@H]2C[C@H]2C)n1 167106426 538169000 /nfs/dbraw/zinc/16/90/00/538169000.db2.gz NJARAPALHIPXNJ-SFYZADRCSA-N 0 0 196.319 2.773 10 0 AFAERN CCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)o1 167303493 538170369 /nfs/dbraw/zinc/17/03/69/538170369.db2.gz GLEITZLCVHNVRX-QXEWZRGKSA-N 0 0 193.290 2.901 10 0 AFAERN CCc1csc(NC[C@@H]2C[C@@H]2C)n1 167106249 538170929 /nfs/dbraw/zinc/17/09/29/538170929.db2.gz NJARAPALHIPXNJ-YUMQZZPRSA-N 0 0 196.319 2.773 10 0 AFAERN C=Cc1ccc2cccnc2c1 168867146 538176172 /nfs/dbraw/zinc/17/61/72/538176172.db2.gz HITKJZPTWAZTDK-UHFFFAOYSA-N 0 0 155.200 2.878 10 0 AFAERN CCCCCc1n[nH]c(=S)n1CC 204812964 538186224 /nfs/dbraw/zinc/18/62/24/538186224.db2.gz KGGIKICDRXPFNL-UHFFFAOYSA-N 0 0 199.323 2.693 10 0 AFAERN CC(C)C[C@H]1[NH2+]CCc2occc21 212829888 538190568 /nfs/dbraw/zinc/19/05/68/538190568.db2.gz DIGLUBZETQGOKZ-SNVBAGLBSA-N 0 0 179.263 2.513 10 0 AFAERN CC(C)C[C@@H]1[NH2+]CCc2occc21 212829964 538190809 /nfs/dbraw/zinc/19/08/09/538190809.db2.gz DIGLUBZETQGOKZ-JTQLQIEISA-N 0 0 179.263 2.513 10 0 AFAERN Fc1cccc(-c2cocn2)c1F 217517840 538192499 /nfs/dbraw/zinc/19/24/99/538192499.db2.gz LTYDQTNRAXZVTG-UHFFFAOYSA-N 0 0 181.141 2.620 10 0 AFAERN CCNc1ccc(-c2ncccn2)cc1 221069912 538194637 /nfs/dbraw/zinc/19/46/37/538194637.db2.gz SRXWUUSSJVDIMT-UHFFFAOYSA-N 0 0 199.257 2.575 10 0 AFAERN COC(C)(C)CCOc1ccccc1 230401053 538208108 /nfs/dbraw/zinc/20/81/08/538208108.db2.gz VAEHKQHEEROVTP-UHFFFAOYSA-N 0 0 194.274 2.881 10 0 AFAERN COC(C)(C)CCNc1ccccc1 230403644 538209135 /nfs/dbraw/zinc/20/91/35/538209135.db2.gz QKGXWOOODPEMMW-UHFFFAOYSA-N 0 0 193.290 2.914 10 0 AFAERN CC(C)=CCN[C@@H](C)c1ncc(C)o1 230645188 538210037 /nfs/dbraw/zinc/21/00/37/538210037.db2.gz GWSHBENUXWHGRR-JTQLQIEISA-N 0 0 194.278 2.600 10 0 AFAERN CC(C)=CCN[C@H](C)c1ncc(C)o1 230645196 538211835 /nfs/dbraw/zinc/21/18/35/538211835.db2.gz GWSHBENUXWHGRR-SNVBAGLBSA-N 0 0 194.278 2.600 10 0 AFAERN C=Cc1cc(C)cc(F)c1 231249573 538217607 /nfs/dbraw/zinc/21/76/07/538217607.db2.gz KEIRIXVSYOPUDG-UHFFFAOYSA-N 0 0 136.169 2.777 10 0 AFAERN CCC[C@@H]1C[C@H]1Nc1ccc(F)cn1 233310957 538232400 /nfs/dbraw/zinc/23/24/00/538232400.db2.gz BKVKVFNBYHEXGZ-PSASIEDQSA-N 0 0 194.253 2.821 10 0 AFAERN CCC[C@H]1C[C@@H]1Nc1ccc(F)cn1 233440161 538233722 /nfs/dbraw/zinc/23/37/22/538233722.db2.gz BKVKVFNBYHEXGZ-WPRPVWTQSA-N 0 0 194.253 2.821 10 0 AFAERN CCC[C@H]1C[C@H]1Nc1ccc(F)cn1 233433372 538235082 /nfs/dbraw/zinc/23/50/82/538235082.db2.gz BKVKVFNBYHEXGZ-WCBMZHEXSA-N 0 0 194.253 2.821 10 0 AFAERN COCCCCCNc1ccccc1 238332962 538253898 /nfs/dbraw/zinc/25/38/98/538253898.db2.gz JHPJEPQMDXRHJW-UHFFFAOYSA-N 0 0 193.290 2.915 10 0 AFAERN CC(C)C(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C 253102047 538282848 /nfs/dbraw/zinc/28/28/48/538282848.db2.gz RBFDLCDTNOIUJH-GMTAPVOTSA-N 0 0 197.322 2.535 10 0 AFAERN CC(C)C(=O)N1C[C@H](C)C[C@H](C)[C@H]1C 253102048 538283641 /nfs/dbraw/zinc/28/36/41/538283641.db2.gz RBFDLCDTNOIUJH-OUAUKWLOSA-N 0 0 197.322 2.535 10 0 AFAERN CCCC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C 253105421 538285299 /nfs/dbraw/zinc/28/52/99/538285299.db2.gz SVSRRPCIEAMUQI-OUAUKWLOSA-N 0 0 197.322 2.680 10 0 AFAERN CCCC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C 253105420 538285401 /nfs/dbraw/zinc/28/54/01/538285401.db2.gz SVSRRPCIEAMUQI-GMTAPVOTSA-N 0 0 197.322 2.680 10 0 AFAERN Cc1cc2cccc(C)c2c(=O)[nH]1 258162263 538288445 /nfs/dbraw/zinc/28/84/45/538288445.db2.gz LUQRVTCDNYQIOL-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN COC(=O)c1cc2c(C)cccc2o1 259867184 538292291 /nfs/dbraw/zinc/29/22/91/538292291.db2.gz SXYIRYHPLFPJQW-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN Cc1cc(N)nn1CCCC(C)(C)C 300952496 538296670 /nfs/dbraw/zinc/29/66/70/538296670.db2.gz ZUVCLQDSZNAMMY-UHFFFAOYSA-N 0 0 195.310 2.600 10 0 AFAERN Cc1cn(CCCC(C)(C)C)nc1N 300932949 538298040 /nfs/dbraw/zinc/29/80/40/538298040.db2.gz VFJKLNJMQICWLH-UHFFFAOYSA-N 0 0 195.310 2.600 10 0 AFAERN CN(CC1CC1)c1ccncc1Cl 306523449 538306234 /nfs/dbraw/zinc/30/62/34/538306234.db2.gz NUYAHMOJEGFMOW-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN CCC(O)=C(CC)C(=O)C1CCCC1 313440066 538322928 /nfs/dbraw/zinc/32/29/28/538322928.db2.gz DXFPFXCOLXZCLR-SNVBAGLBSA-N 0 0 196.290 2.751 10 0 AFAERN CCC(O)=C(CC(C)C)C(=O)C1CC1 308566403 538323105 /nfs/dbraw/zinc/32/31/05/538323105.db2.gz YOBAKHRTSQPEJY-SNVBAGLBSA-N 0 0 196.290 2.607 10 0 AFAERN CC(C)(C)CCC[C@@H](O)c1cn[nH]c1 308697776 538323353 /nfs/dbraw/zinc/32/33/53/538323353.db2.gz UFFMTGNFKIEXCJ-SNVBAGLBSA-N 0 0 196.294 2.660 10 0 AFAERN CC[C@H](C(=O)C1CC1)C(=O)C(C)(C)C 308569391 538323435 /nfs/dbraw/zinc/32/34/35/538323435.db2.gz DDGYORXROHMPCB-SECBINFHSA-N 0 0 196.290 2.607 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](O)c1cn[nH]c1 308644592 538323601 /nfs/dbraw/zinc/32/36/01/538323601.db2.gz GHPYDMSGMXBMLG-KOLCDFICSA-N 0 0 196.294 2.515 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](O)c1cn[nH]c1 308644591 538323634 /nfs/dbraw/zinc/32/36/34/538323634.db2.gz GHPYDMSGMXBMLG-GXSJLCMTSA-N 0 0 196.294 2.515 10 0 AFAERN CC(C)C[C@H](C)C[C@H](O)c1cn[nH]c1 308644594 538323758 /nfs/dbraw/zinc/32/37/58/538323758.db2.gz GHPYDMSGMXBMLG-ONGXEEELSA-N 0 0 196.294 2.515 10 0 AFAERN CC(C)C[C@@H](C)C[C@@H](O)c1cn[nH]c1 308644593 538323849 /nfs/dbraw/zinc/32/38/49/538323849.db2.gz GHPYDMSGMXBMLG-MWLCHTKSSA-N 0 0 196.294 2.515 10 0 AFAERN CCC(O)=C(CC)C(=O)C1CCCC1 313440063 538323915 /nfs/dbraw/zinc/32/39/15/538323915.db2.gz DXFPFXCOLXZCLR-JTQLQIEISA-N 0 0 196.290 2.751 10 0 AFAERN CC[C@@H](C(=O)C1CC1)C(=O)C(C)(C)C 308569395 538323974 /nfs/dbraw/zinc/32/39/74/538323974.db2.gz DDGYORXROHMPCB-VIFPVBQESA-N 0 0 196.290 2.607 10 0 AFAERN CCC(O)=C(CC(C)C)C(=O)C1CC1 308566402 538324025 /nfs/dbraw/zinc/32/40/25/538324025.db2.gz YOBAKHRTSQPEJY-JTQLQIEISA-N 0 0 196.290 2.607 10 0 AFAERN CC(C)(C)CCC[C@H](O)c1cn[nH]c1 308697775 538324089 /nfs/dbraw/zinc/32/40/89/538324089.db2.gz UFFMTGNFKIEXCJ-JTQLQIEISA-N 0 0 196.294 2.660 10 0 AFAERN CCCC(O)=C(CC)C(=O)C1CCC1 322883300 538324434 /nfs/dbraw/zinc/32/44/34/538324434.db2.gz BIJDXXMXYYHKRR-SNVBAGLBSA-N 0 0 196.290 2.751 10 0 AFAERN CCCCCC(O)=CC(=O)[C@@H]1C[C@@H]1C 321408935 538325072 /nfs/dbraw/zinc/32/50/72/538325072.db2.gz GVEGNSMYGXSUKM-GXSJLCMTSA-N 0 0 196.290 2.751 10 0 AFAERN CCCCCC(O)=CC(=O)[C@H]1C[C@@H]1C 321408938 538325092 /nfs/dbraw/zinc/32/50/92/538325092.db2.gz GVEGNSMYGXSUKM-ONGXEEELSA-N 0 0 196.290 2.751 10 0 AFAERN CCC(C(=O)C1CCC1)=C(O)C(C)C 322915640 538325261 /nfs/dbraw/zinc/32/52/61/538325261.db2.gz JMKJIPBPDGUUFY-JTQLQIEISA-N 0 0 196.290 2.607 10 0 AFAERN CC(C(=O)C(C)(C)C)=C(O)C1CCC1 323825221 538325543 /nfs/dbraw/zinc/32/55/43/538325543.db2.gz KWEMOKOJJXGOET-QMMMGPOBSA-N 0 0 196.290 2.607 10 0 AFAERN CCCCCC(O)=CC(=O)[C@H]1C[C@H]1C 321408936 538325835 /nfs/dbraw/zinc/32/58/35/538325835.db2.gz GVEGNSMYGXSUKM-KOLCDFICSA-N 0 0 196.290 2.751 10 0 AFAERN CCC(C(=O)C1CCC1)=C(O)C(C)C 322915642 538326016 /nfs/dbraw/zinc/32/60/16/538326016.db2.gz JMKJIPBPDGUUFY-SNVBAGLBSA-N 0 0 196.290 2.607 10 0 AFAERN CCCC(O)=C(CC)C(=O)C1CCC1 322883298 538326826 /nfs/dbraw/zinc/32/68/26/538326826.db2.gz BIJDXXMXYYHKRR-JTQLQIEISA-N 0 0 196.290 2.751 10 0 AFAERN CCCCCC(O)=CC(=O)[C@@H]1C[C@H]1C 321408937 538326845 /nfs/dbraw/zinc/32/68/45/538326845.db2.gz GVEGNSMYGXSUKM-MWLCHTKSSA-N 0 0 196.290 2.751 10 0 AFAERN CC(C(=O)C(C)(C)C)=C(O)C1CCC1 323825220 538326856 /nfs/dbraw/zinc/32/68/56/538326856.db2.gz KWEMOKOJJXGOET-MRVPVSSYSA-N 0 0 196.290 2.607 10 0 AFAERN CC(C)(C)CCc1noc(C2CC2)n1 349771900 538328966 /nfs/dbraw/zinc/32/89/66/538328966.db2.gz ODELHTUKLQGWAN-UHFFFAOYSA-N 0 0 194.278 2.926 10 0 AFAERN Cc1noc(CC2CCCCCC2)n1 349779515 538329997 /nfs/dbraw/zinc/32/99/97/538329997.db2.gz BQQGVNCRTSMSAL-UHFFFAOYSA-N 0 0 194.278 2.891 10 0 AFAERN CCc1noc(CC2(C)CCCC2)n1 349891406 538330439 /nfs/dbraw/zinc/33/04/39/538330439.db2.gz XBJGZFFYMBJVMH-UHFFFAOYSA-N 0 0 194.278 2.755 10 0 AFAERN CC(C)c1noc(C2(CCF)CC2)n1 350400687 538331201 /nfs/dbraw/zinc/33/12/01/538331201.db2.gz RGZJSGDTJWFBRZ-UHFFFAOYSA-N 0 0 198.241 2.584 10 0 AFAERN CC[C@@H](C)CSc1cccnn1 379313754 538337345 /nfs/dbraw/zinc/33/73/45/538337345.db2.gz JPCQDCKGCFBNBC-MRVPVSSYSA-N 0 0 182.292 2.615 10 0 AFAERN CC[C@H](C)CSc1cccnn1 379313755 538337502 /nfs/dbraw/zinc/33/75/02/538337502.db2.gz JPCQDCKGCFBNBC-QMMMGPOBSA-N 0 0 182.292 2.615 10 0 AFAERN CC/C=C\CCn1ccnc1C 379317149 538340259 /nfs/dbraw/zinc/34/02/59/538340259.db2.gz DKSBAAHSEWFPKM-PLNGDYQASA-N 0 0 164.252 2.548 10 0 AFAERN CC/C=C/CCn1ccnc1C 379317150 538342361 /nfs/dbraw/zinc/34/23/61/538342361.db2.gz DKSBAAHSEWFPKM-SNAWJCMRSA-N 0 0 164.252 2.548 10 0 AFAERN Cc1cccnc1SCCCF 379330345 538352400 /nfs/dbraw/zinc/35/24/00/538352400.db2.gz AOABZMDSYXDNOW-UHFFFAOYSA-N 0 0 185.267 2.842 10 0 AFAERN CC[C@H](C)CCC(=O)N(CC)CC 379354200 538360363 /nfs/dbraw/zinc/36/03/63/538360363.db2.gz HTCDINJDQCFXHP-JTQLQIEISA-N 0 0 185.311 2.681 10 0 AFAERN CCCC[C@H](C)[N@H+](C)CC1(F)CC1 379356105 538360379 /nfs/dbraw/zinc/36/03/79/538360379.db2.gz NFQDVVOFOFKJCX-JTQLQIEISA-N 0 0 187.302 2.999 10 0 AFAERN CCCC(C)(C)CC(=O)NC(C)C 379354211 538360469 /nfs/dbraw/zinc/36/04/69/538360469.db2.gz HUEOSNJVBSWVMF-UHFFFAOYSA-N 0 0 185.311 2.727 10 0 AFAERN CC[C@@H](C)CCC(=O)N(CC)CC 379354201 538360477 /nfs/dbraw/zinc/36/04/77/538360477.db2.gz HTCDINJDQCFXHP-SNVBAGLBSA-N 0 0 185.311 2.681 10 0 AFAERN CCCC[C@@H](C)[N@H+](C)CC1(F)CC1 379356108 538361515 /nfs/dbraw/zinc/36/15/15/538361515.db2.gz NFQDVVOFOFKJCX-SNVBAGLBSA-N 0 0 187.302 2.999 10 0 AFAERN CCN(CC(F)F)CC1(C)CCC1 379363200 538362248 /nfs/dbraw/zinc/36/22/48/538362248.db2.gz JJEVQWGZQZFNHF-UHFFFAOYSA-N 0 0 191.265 2.764 10 0 AFAERN CCN(C)Cc1ncc(C(C)C)s1 379361209 538365260 /nfs/dbraw/zinc/36/52/60/538365260.db2.gz DOWIGFKGCBGPMZ-UHFFFAOYSA-N 0 0 198.335 2.718 10 0 AFAERN COCCCCSc1ccncc1 379380875 538375873 /nfs/dbraw/zinc/37/58/73/538375873.db2.gz CLBJELUEZSIKES-UHFFFAOYSA-N 0 0 197.303 2.600 10 0 AFAERN CCCNC(=O)CC(C)(C)CCC 379384757 538378744 /nfs/dbraw/zinc/37/87/44/538378744.db2.gz PVFLGIHHVCNDIR-UHFFFAOYSA-N 0 0 185.311 2.729 10 0 AFAERN CCN(CC)C(=O)c1csc(C)c1 379383310 538379103 /nfs/dbraw/zinc/37/91/03/538379103.db2.gz GCCIYWCANHFDGL-UHFFFAOYSA-N 0 0 197.303 2.539 10 0 AFAERN CCCN(C)c1nnc(C(C)C)s1 379395734 538390967 /nfs/dbraw/zinc/39/09/67/538390967.db2.gz BFIFCNYWLJZXDF-UHFFFAOYSA-N 0 0 199.323 2.508 10 0 AFAERN CC[C@H](N[C@H](C)C(C)C)C(F)(F)F 379401500 538391576 /nfs/dbraw/zinc/39/15/76/538391576.db2.gz KUQXQRMGGKNAPV-SFYZADRCSA-N 0 0 197.244 2.961 10 0 AFAERN CC[C@H](C)N[C@@H](C(C)C)C(F)(F)F 379399918 538394114 /nfs/dbraw/zinc/39/41/14/538394114.db2.gz HUAUCUBYZSHAMM-YUMQZZPRSA-N 0 0 197.244 2.961 10 0 AFAERN CC[C@H](N[C@@H](C)C(C)C)C(F)(F)F 379401501 538394249 /nfs/dbraw/zinc/39/42/49/538394249.db2.gz KUQXQRMGGKNAPV-YUMQZZPRSA-N 0 0 197.244 2.961 10 0 AFAERN CC[C@@H](C)N[C@@H](C(C)C)C(F)(F)F 379399917 538394713 /nfs/dbraw/zinc/39/47/13/538394713.db2.gz HUAUCUBYZSHAMM-SFYZADRCSA-N 0 0 197.244 2.961 10 0 AFAERN CCCNC(=O)[C@H](C)CC(C)(C)C 379403716 538396883 /nfs/dbraw/zinc/39/68/83/538396883.db2.gz PZEVOUGJFJIYLT-SECBINFHSA-N 0 0 185.311 2.585 10 0 AFAERN CCCNC(=O)[C@@H](C)CC(C)(C)C 379403717 538396979 /nfs/dbraw/zinc/39/69/79/538396979.db2.gz PZEVOUGJFJIYLT-VIFPVBQESA-N 0 0 185.311 2.585 10 0 AFAERN CCCN(C)C(=O)[C@H](C)CC(C)C 379408426 538401472 /nfs/dbraw/zinc/40/14/72/538401472.db2.gz AXIKYDMIBUIBIW-SNVBAGLBSA-N 0 0 185.311 2.537 10 0 AFAERN CCCN(C)C(=O)[C@@H](C)CC(C)C 379408425 538402548 /nfs/dbraw/zinc/40/25/48/538402548.db2.gz AXIKYDMIBUIBIW-JTQLQIEISA-N 0 0 185.311 2.537 10 0 AFAERN CC(C)[C@H](NCC1CC1)C(F)(F)F 379412933 538407194 /nfs/dbraw/zinc/40/71/94/538407194.db2.gz LBWHXHSISBQFBD-QMMMGPOBSA-N 0 0 195.228 2.573 10 0 AFAERN CCCCc1nc([C@H](C)CC)no1 388203893 538430367 /nfs/dbraw/zinc/43/03/67/538430367.db2.gz CKIHGJJWIMAFMR-MRVPVSSYSA-N 0 0 182.267 2.926 10 0 AFAERN CCCCc1nc([C@@H](C)CC)no1 388203926 538430574 /nfs/dbraw/zinc/43/05/74/538430574.db2.gz CKIHGJJWIMAFMR-QMMMGPOBSA-N 0 0 182.267 2.926 10 0 AFAERN CCCCCN1CCC[C@H]1C(F)F 388285661 538430761 /nfs/dbraw/zinc/43/07/61/538430761.db2.gz QGTGOIMSFNVWPK-VIFPVBQESA-N 0 0 191.265 2.906 10 0 AFAERN CCOCc1csc(C2CCC2)n1 388280012 538430806 /nfs/dbraw/zinc/43/08/06/538430806.db2.gz LQKPJDVKYRHTEA-UHFFFAOYSA-N 0 0 197.303 2.947 10 0 AFAERN CCCCN1CCC[C@H]1C(F)F 388458728 538432600 /nfs/dbraw/zinc/43/26/00/538432600.db2.gz FBZZXOQXMJZICP-QMMMGPOBSA-N 0 0 177.238 2.516 10 0 AFAERN CCc1csc(N(C)CC2CC2)n1 388581996 538433586 /nfs/dbraw/zinc/43/35/86/538433586.db2.gz FPQCIPXOGNHYSB-UHFFFAOYSA-N 0 0 196.319 2.552 10 0 AFAERN c1cnn(CCCc2ccsc2)c1 388585094 538433831 /nfs/dbraw/zinc/43/38/31/538433831.db2.gz HMHJRKRKQIGQBS-UHFFFAOYSA-N 0 0 192.287 2.577 10 0 AFAERN CC(C)CCN1CCC[C@H]1C(F)F 388613923 538434471 /nfs/dbraw/zinc/43/44/71/538434471.db2.gz ACBUJTYQZOEKCO-VIFPVBQESA-N 0 0 191.265 2.762 10 0 AFAERN CC[C@H](C)NC(=O)[C@@H](C)CC(C)C 388648667 538435521 /nfs/dbraw/zinc/43/55/21/538435521.db2.gz QZGFQPIPVSUOAQ-UWVGGRQHSA-N 0 0 185.311 2.583 10 0 AFAERN CCN(CCF)c1ccccc1F 388625380 538435273 /nfs/dbraw/zinc/43/52/73/538435273.db2.gz GSYRFRMZCVLKIN-UHFFFAOYSA-N 0 0 185.217 2.622 10 0 AFAERN CC[C@@H](C)NC(=O)[C@@H](C)CC(C)C 388648668 538435531 /nfs/dbraw/zinc/43/55/31/538435531.db2.gz QZGFQPIPVSUOAQ-VHSXEESVSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)C[C@H](C)C(=O)N(C)C(C)C 388638239 538435638 /nfs/dbraw/zinc/43/56/38/538435638.db2.gz NNOGHEPOYCENGA-JTQLQIEISA-N 0 0 185.311 2.535 10 0 AFAERN CC[C@H](C)NC(=O)[C@H](C)CC(C)C 388648670 538435717 /nfs/dbraw/zinc/43/57/17/538435717.db2.gz QZGFQPIPVSUOAQ-ZJUUUORDSA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@@H](C)NC(=O)[C@H](C)CC(C)C 388648664 538435832 /nfs/dbraw/zinc/43/58/32/538435832.db2.gz QZGFQPIPVSUOAQ-NXEZZACHSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N(C)C(C)C 388638240 538435946 /nfs/dbraw/zinc/43/59/46/538435946.db2.gz NNOGHEPOYCENGA-SNVBAGLBSA-N 0 0 185.311 2.535 10 0 AFAERN CC[C@H](NC[C@H]1C[C@H]1C)C(F)(F)F 388683213 538436097 /nfs/dbraw/zinc/43/60/97/538436097.db2.gz JEUGHUINEVEPOQ-PRJMDXOYSA-N 0 0 195.228 2.573 10 0 AFAERN CC[C@H](NC[C@H]1C[C@@H]1C)C(F)(F)F 388683214 538436109 /nfs/dbraw/zinc/43/61/09/538436109.db2.gz JEUGHUINEVEPOQ-RNJXMRFFSA-N 0 0 195.228 2.573 10 0 AFAERN CC[C@H](NC[C@@H]1C[C@H]1C)C(F)(F)F 388683211 538436173 /nfs/dbraw/zinc/43/61/73/538436173.db2.gz JEUGHUINEVEPOQ-CSMHCCOUSA-N 0 0 195.228 2.573 10 0 AFAERN CC[C@H](NC[C@@H]1C[C@@H]1C)C(F)(F)F 388683212 538436424 /nfs/dbraw/zinc/43/64/24/538436424.db2.gz JEUGHUINEVEPOQ-FXQIFTODSA-N 0 0 195.228 2.573 10 0 AFAERN CCCCNC(=O)[C@@H](C)CC(C)C 388791737 538437661 /nfs/dbraw/zinc/43/76/61/538437661.db2.gz LZSYRWBOQMGPSX-JTQLQIEISA-N 0 0 185.311 2.585 10 0 AFAERN CCCCNC(=O)[C@H](C)CC(C)C 388791746 538437781 /nfs/dbraw/zinc/43/77/81/538437781.db2.gz LZSYRWBOQMGPSX-SNVBAGLBSA-N 0 0 185.311 2.585 10 0 AFAERN CCCCCC(=O)N1[C@@H](C)C[C@H]1C 388850585 538438301 /nfs/dbraw/zinc/43/83/01/538438301.db2.gz AUBZUACFMAFNMJ-AOOOYVTPSA-N 0 0 183.295 2.576 10 0 AFAERN CCCCCC(=O)N1CCC[C@@H]1C 388871008 538438170 /nfs/dbraw/zinc/43/81/70/538438170.db2.gz GVRKXXKGULXTAP-JTQLQIEISA-N 0 0 183.295 2.578 10 0 AFAERN CCCCCC(=O)N1[C@H](C)C[C@H]1C 388850586 538438208 /nfs/dbraw/zinc/43/82/08/538438208.db2.gz AUBZUACFMAFNMJ-NXEZZACHSA-N 0 0 183.295 2.576 10 0 AFAERN CCCCCC(=O)N1[C@@H](C)C[C@@H]1C 388850587 538438395 /nfs/dbraw/zinc/43/83/95/538438395.db2.gz AUBZUACFMAFNMJ-UWVGGRQHSA-N 0 0 183.295 2.576 10 0 AFAERN CCCCCC(=O)N1CCC[C@H]1C 388871009 538438510 /nfs/dbraw/zinc/43/85/10/538438510.db2.gz GVRKXXKGULXTAP-SNVBAGLBSA-N 0 0 183.295 2.578 10 0 AFAERN CC(C)c1cc2ncc(Cl)cn2n1 402905619 538441594 /nfs/dbraw/zinc/44/15/94/538441594.db2.gz XAFQKGLCROAVEA-UHFFFAOYSA-N 0 0 195.653 2.506 10 0 AFAERN CC(=O)c1c(N)cccc1C(C)C 669372433 538442420 /nfs/dbraw/zinc/44/24/20/538442420.db2.gz SDGTZLDOOKBJNQ-UHFFFAOYSA-N 0 0 177.247 2.595 10 0 AFAERN CCC(=O)c1c(N)cccc1C(C)C 669371834 538442515 /nfs/dbraw/zinc/44/25/15/538442515.db2.gz AZRZTPOEHRZEBH-UHFFFAOYSA-N 0 0 191.274 2.985 10 0 AFAERN CC(=O)c1ccc(C(C)C)cc1N 669372636 538442724 /nfs/dbraw/zinc/44/27/24/538442724.db2.gz UMFHLWZHEQIVRJ-UHFFFAOYSA-N 0 0 177.247 2.595 10 0 AFAERN Cc1cc(Cl)cc2c1NC(=O)OC2 669376738 538443085 /nfs/dbraw/zinc/44/30/85/538443085.db2.gz MSJUGIYDSXCPPN-UHFFFAOYSA-N 0 0 197.621 2.711 10 0 AFAERN Cc1cc(-c2ccncc2)cc(F)n1 669378943 538444882 /nfs/dbraw/zinc/44/48/82/538444882.db2.gz PKPUVMJYKXAWHP-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cc(-c2cccnc2)cc(F)n1 669379140 538444997 /nfs/dbraw/zinc/44/49/97/538444997.db2.gz UDNYUWVIYBVNNU-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CC(C)(C)c1c(F)ccnc1F 669379306 538445047 /nfs/dbraw/zinc/44/50/47/538445047.db2.gz BNWKBXCELUZGKQ-UHFFFAOYSA-N 0 0 171.190 2.657 10 0 AFAERN Cc1cc(-c2ccc(F)o2)cc(F)n1 669378353 538445054 /nfs/dbraw/zinc/44/50/54/538445054.db2.gz AZQJLWWBHFCZSY-UHFFFAOYSA-N 0 0 195.168 2.928 10 0 AFAERN Cc1cc(-c2nccs2)cc(F)n1 669378404 538445074 /nfs/dbraw/zinc/44/50/74/538445074.db2.gz DCODPYBWVKWQDE-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1ccc(Cl)cc1C[C@@H]1CO1 669382987 538446398 /nfs/dbraw/zinc/44/63/98/538446398.db2.gz QIDBQLMDIODABP-SNVBAGLBSA-N 0 0 182.650 2.590 10 0 AFAERN CC[C@H]1CNc2cc(F)c(F)cc2O1 669379745 538445125 /nfs/dbraw/zinc/44/51/25/538445125.db2.gz BAROZLBZOAVWRR-LURJTMIESA-N 0 0 199.200 2.548 10 0 AFAERN CC(=O)c1cccc(-c2cocn2)c1 669378567 538445143 /nfs/dbraw/zinc/44/51/43/538445143.db2.gz HGIMAIGHHHXXQJ-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN Cc1cc(-c2cncs2)cc(F)n1 669379127 538445148 /nfs/dbraw/zinc/44/51/48/538445148.db2.gz STIIXVMUSADGGZ-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CC(C)Cc1c[nH]c2cnc(F)cc12 669381665 538445627 /nfs/dbraw/zinc/44/56/27/538445627.db2.gz QSGXURFJXRMDAD-UHFFFAOYSA-N 0 0 192.237 2.901 10 0 AFAERN Cc1c(Cl)cccc1C[C@H]1CO1 669383034 538446669 /nfs/dbraw/zinc/44/66/69/538446669.db2.gz UXZHLBBNKBAKME-VIFPVBQESA-N 0 0 182.650 2.590 10 0 AFAERN Nc1c[nH]c2cc(F)c(Cl)cc12 669381999 538446054 /nfs/dbraw/zinc/44/60/54/538446054.db2.gz DJQADUBXOQNQRC-UHFFFAOYSA-N 0 0 184.601 2.543 10 0 AFAERN Cc1c(Cl)cccc1C[C@@H]1CO1 669383033 538446219 /nfs/dbraw/zinc/44/62/19/538446219.db2.gz UXZHLBBNKBAKME-SECBINFHSA-N 0 0 182.650 2.590 10 0 AFAERN CC(C)c1cn(C(C)C)cc1CO 669383365 538446378 /nfs/dbraw/zinc/44/63/78/538446378.db2.gz UGCWJJADCYOSAW-UHFFFAOYSA-N 0 0 181.279 2.685 10 0 AFAERN Cc1ccc(Cl)cc1C[C@H]1CO1 669382986 538446454 /nfs/dbraw/zinc/44/64/54/538446454.db2.gz QIDBQLMDIODABP-JTQLQIEISA-N 0 0 182.650 2.590 10 0 AFAERN CC[C@@H](C)CNc1noc2c1CCC2 669385099 538446999 /nfs/dbraw/zinc/44/69/99/538446999.db2.gz XZPMYGPKCULBMP-MRVPVSSYSA-N 0 0 194.278 2.621 10 0 AFAERN CC(C)CCNc1noc2c1CCC2 669385034 538447010 /nfs/dbraw/zinc/44/70/10/538447010.db2.gz UUIUWTZHDPJRPH-UHFFFAOYSA-N 0 0 194.278 2.621 10 0 AFAERN CC[C@H](C)CNc1noc2c1CCC2 669385100 538447046 /nfs/dbraw/zinc/44/70/46/538447046.db2.gz XZPMYGPKCULBMP-QMMMGPOBSA-N 0 0 194.278 2.621 10 0 AFAERN CCCNc1noc2c1CCCCC2 669384784 538447202 /nfs/dbraw/zinc/44/72/02/538447202.db2.gz GIKJYGRSKIXFDJ-UHFFFAOYSA-N 0 0 194.278 2.765 10 0 AFAERN O=Cc1cc(F)cc(C2CC2)c1 675053905 538447945 /nfs/dbraw/zinc/44/79/45/538447945.db2.gz PTAXRXJJFUZUDM-UHFFFAOYSA-N 0 0 164.179 2.516 10 0 AFAERN CCc1oc(CC2CC2)cc1C=O 675053713 538448016 /nfs/dbraw/zinc/44/80/16/538448016.db2.gz KVRRNEDZBPRMRX-UHFFFAOYSA-N 0 0 178.231 2.607 10 0 AFAERN CC(C)CC(=O)NCCC1CC=CC1 675053872 538448083 /nfs/dbraw/zinc/44/80/83/538448083.db2.gz OZWRFUMOXJDNNM-UHFFFAOYSA-N 0 0 195.306 2.505 10 0 AFAERN CC[C@@H](C)c1cc(C=O)c(C)o1 675053666 538448084 /nfs/dbraw/zinc/44/80/84/538448084.db2.gz JYCAEWJLZGQTKY-SSDOTTSWSA-N 0 0 166.220 2.914 10 0 AFAERN CCCc1cc(C=O)c(CC)o1 675052574 538448171 /nfs/dbraw/zinc/44/81/71/538448171.db2.gz BPMSBPOBOIAPDQ-UHFFFAOYSA-N 0 0 166.220 2.607 10 0 AFAERN CC[C@H](C)c1cc(C=O)c(C)o1 675053670 538448217 /nfs/dbraw/zinc/44/82/17/538448217.db2.gz JYCAEWJLZGQTKY-ZETCQYMHSA-N 0 0 166.220 2.914 10 0 AFAERN CCCc1cc(C=O)c(C(F)F)o1 675052854 538448292 /nfs/dbraw/zinc/44/82/92/538448292.db2.gz BDSPRSOOLLPBNC-UHFFFAOYSA-N 0 0 188.173 2.982 10 0 AFAERN O=Cc1cccc(F)c1C1CC1 675053240 538448324 /nfs/dbraw/zinc/44/83/24/538448324.db2.gz GNTAJVQFTPOGQS-UHFFFAOYSA-N 0 0 164.179 2.516 10 0 AFAERN Cc1ccc(C2CC2)c(C=O)c1 675053039 538448357 /nfs/dbraw/zinc/44/83/57/538448357.db2.gz FIKUPVBCCXLERX-UHFFFAOYSA-N 0 0 160.216 2.685 10 0 AFAERN CC[C@H](C)COc1ccc(C=O)o1 675057628 538449379 /nfs/dbraw/zinc/44/93/79/538449379.db2.gz GDXKLNGJXRHKOZ-QMMMGPOBSA-N 0 0 182.219 2.517 10 0 AFAERN Cc1oc(C(C)C)cc1C=O 675055162 538448719 /nfs/dbraw/zinc/44/87/19/538448719.db2.gz QONUZTMVJXMZHB-UHFFFAOYSA-N 0 0 152.193 2.524 10 0 AFAERN CCCc1ccsc1C(=O)OCC 675057417 538449542 /nfs/dbraw/zinc/44/95/42/538449542.db2.gz AOFFKMNAUSOARV-UHFFFAOYSA-N 0 0 198.287 2.877 10 0 AFAERN CCCc1cc(C=O)c(CCC)o1 675055208 538448843 /nfs/dbraw/zinc/44/88/43/538448843.db2.gz RDZPRSNCGGWKGT-UHFFFAOYSA-N 0 0 180.247 2.997 10 0 AFAERN CC(C)(C)C(=O)NCCC1CC=CC1 675054560 538448851 /nfs/dbraw/zinc/44/88/51/538448851.db2.gz WOBFZAPTQURYPE-UHFFFAOYSA-N 0 0 195.306 2.505 10 0 AFAERN O=Cc1cc(CC2CC2)oc1C1CC1 675054133 538448896 /nfs/dbraw/zinc/44/88/96/538448896.db2.gz LXJSVIZXXSLSDE-UHFFFAOYSA-N 0 0 190.242 2.922 10 0 AFAERN CCCc1oc(CC2CC2)cc1C=O 675055840 538449010 /nfs/dbraw/zinc/44/90/10/538449010.db2.gz ZKCDOCGGISRWSK-UHFFFAOYSA-N 0 0 192.258 2.997 10 0 AFAERN CC(C)c1ccc(F)c(N)c1F 675056092 538449255 /nfs/dbraw/zinc/44/92/55/538449255.db2.gz BRQVTEHBRGHSSE-UHFFFAOYSA-N 0 0 171.190 2.670 10 0 AFAERN CC[C@H](C)Nc1ncccc1Cl 20015488 541301102 /nfs/dbraw/zinc/30/11/02/541301102.db2.gz DHVGPQGAEHYQLI-ZETCQYMHSA-N 0 0 184.670 2.945 10 0 AFAERN CC[C@@H](C)Nc1ncccc1Cl 20015486 541301542 /nfs/dbraw/zinc/30/15/42/541301542.db2.gz DHVGPQGAEHYQLI-SSDOTTSWSA-N 0 0 184.670 2.945 10 0 AFAERN C=Cc1cccc(F)c1C 142689377 541305410 /nfs/dbraw/zinc/30/54/10/541305410.db2.gz WVYWCXHHZJXLHF-UHFFFAOYSA-N 0 0 136.169 2.777 10 0 AFAERN CCCn1cnc2cc(F)ccc21 142359578 541305621 /nfs/dbraw/zinc/30/56/21/541305621.db2.gz NTGREAXULLKDJA-UHFFFAOYSA-N 0 0 178.210 2.585 10 0 AFAERN Clc1cnc(C2CCCC2)cn1 142917908 541305840 /nfs/dbraw/zinc/30/58/40/541305840.db2.gz VQGPWZRODIQKPC-UHFFFAOYSA-N 0 0 182.654 2.788 10 0 AFAERN CC/C=C(/F)C(F)(F)F 144051785 541306749 /nfs/dbraw/zinc/30/67/49/541306749.db2.gz RHCSNXDVWUQIHO-ONEGZZNKSA-N 0 0 142.095 2.812 10 0 AFAERN CCCCNC(=O)c1csc(C)c1 144045849 541307140 /nfs/dbraw/zinc/30/71/40/541307140.db2.gz DDKCWIPYBWLNRH-UHFFFAOYSA-N 0 0 197.303 2.586 10 0 AFAERN CCCCCSc1cccnn1 144507414 541307251 /nfs/dbraw/zinc/30/72/51/541307251.db2.gz XRSLKEGHPCHYAS-UHFFFAOYSA-N 0 0 182.292 2.759 10 0 AFAERN Fc1cc2nc(Cl)oc2cc1F 144490362 541307286 /nfs/dbraw/zinc/30/72/86/541307286.db2.gz HFWQCFIZLAJJOD-UHFFFAOYSA-N 0 0 189.548 2.759 10 0 AFAERN CNc1ccc(-c2cccnc2)cc1 164894466 541312192 /nfs/dbraw/zinc/31/21/92/541312192.db2.gz VWUDJOPJOVFPDH-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN CCCC[C@@H](CC)C(=O)N1CC(C)C1 201020368 541314364 /nfs/dbraw/zinc/31/43/64/541314364.db2.gz VFFRBXXFNZBXQM-LLVKDONJSA-N 0 0 197.322 2.681 10 0 AFAERN CCCC[C@H](CC)C(=O)N1CC(C)C1 201020406 541314669 /nfs/dbraw/zinc/31/46/69/541314669.db2.gz VFFRBXXFNZBXQM-NSHDSACASA-N 0 0 197.322 2.681 10 0 AFAERN C=C(OCC)c1ccc(C=O)cc1F 202707975 541315434 /nfs/dbraw/zinc/31/54/34/541315434.db2.gz COESYJLGCDFLTB-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN Cc1ccc(-c2ccc(C=O)o2)o1 215594078 541316890 /nfs/dbraw/zinc/31/68/90/541316890.db2.gz ZSKRQPYXJCPOMN-UHFFFAOYSA-N 0 0 176.171 2.661 10 0 AFAERN C/C=C/Cn1ccc2c(N)cccc21 232555110 541323423 /nfs/dbraw/zinc/32/34/23/541323423.db2.gz HDSUDOLLAHDUPX-NSCUHMNNSA-N 0 0 186.258 2.800 10 0 AFAERN CCCc1noc([C@@H](C)C2CC2)n1 349602891 541335607 /nfs/dbraw/zinc/33/56/07/541335607.db2.gz FPNCYRLBYHRIJD-ZETCQYMHSA-N 0 0 180.251 2.536 10 0 AFAERN CCCc1nc([C@@H](C)C2CC2)no1 349604799 541335686 /nfs/dbraw/zinc/33/56/86/541335686.db2.gz VNHSZQVIQBVSPZ-ZETCQYMHSA-N 0 0 180.251 2.536 10 0 AFAERN CCCc1nc([C@@H](C)CC)no1 349602889 541335985 /nfs/dbraw/zinc/33/59/85/541335985.db2.gz FONASABAIZOYRP-ZETCQYMHSA-N 0 0 168.240 2.536 10 0 AFAERN CCCc1nc([C@H](C)CC)no1 349602888 541335966 /nfs/dbraw/zinc/33/59/66/541335966.db2.gz FONASABAIZOYRP-SSDOTTSWSA-N 0 0 168.240 2.536 10 0 AFAERN CCCc1noc([C@H](C)C2CC2)n1 349602890 541336048 /nfs/dbraw/zinc/33/60/48/541336048.db2.gz FPNCYRLBYHRIJD-SSDOTTSWSA-N 0 0 180.251 2.536 10 0 AFAERN CCCc1nc([C@H](C)C2CC2)no1 349604798 541336060 /nfs/dbraw/zinc/33/60/60/541336060.db2.gz VNHSZQVIQBVSPZ-SSDOTTSWSA-N 0 0 180.251 2.536 10 0 AFAERN CCCC(C)(C)Cc1nc(C)no1 349602578 541336158 /nfs/dbraw/zinc/33/61/58/541336158.db2.gz CVFYQPKUYHRBGJ-UHFFFAOYSA-N 0 0 182.267 2.747 10 0 AFAERN CCCCNc1nccnc1C(C)C 381559295 541339812 /nfs/dbraw/zinc/33/98/12/541339812.db2.gz DGIYUNZIHLQZNL-UHFFFAOYSA-N 0 0 193.294 2.812 10 0 AFAERN CC(C)c1nccn1CCCCF 381833772 541340666 /nfs/dbraw/zinc/34/06/66/541340666.db2.gz FTKGAVLTRQSNOX-UHFFFAOYSA-N 0 0 184.258 2.756 10 0 AFAERN Cc1ccc(SCCCF)nc1 388377349 541341377 /nfs/dbraw/zinc/34/13/77/541341377.db2.gz DQTXUWSLANBECB-UHFFFAOYSA-N 0 0 185.267 2.842 10 0 AFAERN Br/C=C/c1nccs1 606262117 541347503 /nfs/dbraw/zinc/34/75/03/541347503.db2.gz SFMIYNKNABKUCF-OWOJBTEDSA-N 0 0 190.065 2.509 10 0 AFAERN Br/C=C/c1cscn1 606262130 541347260 /nfs/dbraw/zinc/34/72/60/541347260.db2.gz UTVCYDQZAOUUPF-OWOJBTEDSA-N 0 0 190.065 2.509 10 0 AFAERN Cc1ccc(/C=C/Br)o1 606258943 541347364 /nfs/dbraw/zinc/34/73/64/541347364.db2.gz KVZNLJURSKJSTF-SNAWJCMRSA-N 0 0 187.036 2.954 10 0 AFAERN Cc1ccc(/C=C/Br)nc1 606272337 541347439 /nfs/dbraw/zinc/34/74/39/541347439.db2.gz JQGHRUJZDDZEPU-SNAWJCMRSA-N 0 0 198.063 2.756 10 0 AFAERN Cc1ccncc1/C=C/Br 606272381 541347549 /nfs/dbraw/zinc/34/75/49/541347549.db2.gz KUWTYBOUYWVSQY-DUXPYHPUSA-N 0 0 198.063 2.756 10 0 AFAERN Cc1occc1/C=C/Br 606259208 541347553 /nfs/dbraw/zinc/34/75/53/541347553.db2.gz ZUIIJCREQYSXGD-DUXPYHPUSA-N 0 0 187.036 2.954 10 0 AFAERN Cc1cc(/C=C/Br)ccn1 606272273 541347715 /nfs/dbraw/zinc/34/77/15/541347715.db2.gz IUCVBNKDGOOZME-DUXPYHPUSA-N 0 0 198.063 2.756 10 0 AFAERN Br/C=C/c1cncs1 606261997 541347756 /nfs/dbraw/zinc/34/77/56/541347756.db2.gz MDJGLARDWGECOJ-OWOJBTEDSA-N 0 0 190.065 2.509 10 0 AFAERN Fc1ccnc(F)c1C1CCC1 669380331 541348671 /nfs/dbraw/zinc/34/86/71/541348671.db2.gz LECYEQSTZRCTOV-UHFFFAOYSA-N 0 0 169.174 2.627 10 0 AFAERN Cc1nsc(-c2ccccc2F)n1 669379940 541348711 /nfs/dbraw/zinc/34/87/11/541348711.db2.gz IQAUZTCQKREMKI-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CCNc1ccc(-c2cccnn2)cc1 669380801 541349107 /nfs/dbraw/zinc/34/91/07/541349107.db2.gz WPQPOXOEHMNYFX-UHFFFAOYSA-N 0 0 199.257 2.575 10 0 AFAERN CCNc1ccc(-c2cnccn2)cc1 669380702 541349276 /nfs/dbraw/zinc/34/92/76/541349276.db2.gz UGEZGWWRNLDURI-UHFFFAOYSA-N 0 0 199.257 2.575 10 0 AFAERN Cc1nsc(-c2cccc(F)c2)n1 669380829 541349777 /nfs/dbraw/zinc/34/97/77/541349777.db2.gz QPUGTUGNQVNDIW-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CCNc1cc2c(F)cccc2cn1 669380085 541350219 /nfs/dbraw/zinc/35/02/19/541350219.db2.gz IITPCXRMDKVMGV-UHFFFAOYSA-N 0 0 190.221 2.806 10 0 AFAERN C[C@H]1CCC[C@H](C)N1C(=O)OC1CC1 669381555 541350731 /nfs/dbraw/zinc/35/07/31/541350731.db2.gz OCXSGAXQFNZEST-IUCAKERBSA-N 0 0 197.278 2.548 10 0 AFAERN CN(C(=O)OC1CC1)C1CCCCC1 669381525 541350758 /nfs/dbraw/zinc/35/07/58/541350758.db2.gz MOTOHUITMOYRLO-UHFFFAOYSA-N 0 0 197.278 2.550 10 0 AFAERN C[C@H]1CCC[C@@H](C)N1C(=O)OC1CC1 669381554 541350762 /nfs/dbraw/zinc/35/07/62/541350762.db2.gz OCXSGAXQFNZEST-DTORHVGOSA-N 0 0 197.278 2.548 10 0 AFAERN C[C@@H]1CCC[C@@H](C)N1C(=O)OC1CC1 669381556 541350786 /nfs/dbraw/zinc/35/07/86/541350786.db2.gz OCXSGAXQFNZEST-RKDXNWHRSA-N 0 0 197.278 2.548 10 0 AFAERN CC(C)Cc1ccc2c(c1)CC[C@H]2O 675059427 541351170 /nfs/dbraw/zinc/35/11/70/541351170.db2.gz IDLUESVPRDJFCJ-CYBMUJFWSA-N 0 0 190.286 2.865 10 0 AFAERN Cc1cccc(C(C)C)n1 39291112 1149446613 /nfs/dbraw/zinc/44/66/13/1149446613.db2.gz UWLWJASBYKVUJR-UHFFFAOYSA-N 0 0 135.210 2.513 10 0 AFAERN CC/C=C(\C)C(=O)OC1CCCC1 59819372 756966633 /nfs/dbraw/zinc/96/66/33/756966633.db2.gz FMSHYQKKWVEPJB-RMKNXTFCSA-N 0 0 182.263 2.829 10 0 AFAERN CCCC[NH2+]Cc1cccnc1Cl 83343054 756975439 /nfs/dbraw/zinc/97/54/39/756975439.db2.gz FGXNHJVCFLTDKF-UHFFFAOYSA-N 0 0 198.697 2.625 10 0 AFAERN CCCOc1ccc(C=O)c(CC)c1 83225400 756975897 /nfs/dbraw/zinc/97/58/97/756975897.db2.gz OWIITPGMBBXDBE-UHFFFAOYSA-N 0 0 192.258 2.850 10 0 AFAERN Cc1ccc(Nc2ccccn2)cc1N 82655820 756975956 /nfs/dbraw/zinc/97/59/56/756975956.db2.gz JKEOEOCBYYZHTH-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CC[NH+](CC)Cc1cc(Cl)ccn1 86129359 756978023 /nfs/dbraw/zinc/97/80/23/756978023.db2.gz LLIOROUORKURHE-UHFFFAOYSA-N 0 0 198.697 2.577 10 0 AFAERN CCCCOC(=O)N[C@H]1C=CCCC1 90447464 756981995 /nfs/dbraw/zinc/98/19/95/756981995.db2.gz DUDRXDZKTFGFSH-JTQLQIEISA-N 0 0 197.278 2.621 10 0 AFAERN C/C=C/C(=O)NCCCCC(C)C 96866982 756982172 /nfs/dbraw/zinc/98/21/72/756982172.db2.gz HUKCPGAFXXVXQD-QPJJXVBHSA-N 0 0 183.295 2.505 10 0 AFAERN CCCCOC(=O)N[C@@H]1C=CCCC1 90447466 756984008 /nfs/dbraw/zinc/98/40/08/756984008.db2.gz DUDRXDZKTFGFSH-SNVBAGLBSA-N 0 0 197.278 2.621 10 0 AFAERN c1ccc(Nc2ccsc2)nc1 149095027 756993496 /nfs/dbraw/zinc/99/34/96/756993496.db2.gz UGBFSUNHTRULIE-UHFFFAOYSA-N 0 0 176.244 2.887 10 0 AFAERN CCCNc1nccc(C(C)(C)C)n1 149578321 756994346 /nfs/dbraw/zinc/99/43/46/756994346.db2.gz OMSMPLGRROGQPI-UHFFFAOYSA-N 0 0 193.294 2.596 10 0 AFAERN CCC(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 147636012 756995391 /nfs/dbraw/zinc/99/53/91/756995391.db2.gz UNRYKJAUEUSLIU-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 147635800 756996311 /nfs/dbraw/zinc/99/63/11/756996311.db2.gz UNRYKJAUEUSLIU-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 147635608 756996666 /nfs/dbraw/zinc/99/66/66/756996666.db2.gz UNRYKJAUEUSLIU-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN CCc1cccc(NCC(C)C)n1 149708640 756998158 /nfs/dbraw/zinc/99/81/58/756998158.db2.gz AEBYGKSEABLHDA-UHFFFAOYSA-N 0 0 178.279 2.712 10 0 AFAERN CCC(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 147635408 756998227 /nfs/dbraw/zinc/99/82/27/756998227.db2.gz UNRYKJAUEUSLIU-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCNc1ccc2[nH]cnc2c1 147872028 756998675 /nfs/dbraw/zinc/99/86/75/756998675.db2.gz SLJLMISVIFHVIK-UHFFFAOYSA-N 0 0 189.262 2.775 10 0 AFAERN CCCCCNC(=O)OCC(C)C 164357500 757004328 /nfs/dbraw/zinc/00/43/28/757004328.db2.gz LGLYSMVHRCCLRY-UHFFFAOYSA-N 0 0 187.283 2.559 10 0 AFAERN CC(C)CCCOC1CCC(=O)CC1 164156889 757005368 /nfs/dbraw/zinc/00/53/68/757005368.db2.gz RCRRMJSPDZKFEQ-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CSCCCNc1ccc(C)nc1 164590991 757005867 /nfs/dbraw/zinc/00/58/67/757005867.db2.gz HRTNNKJBTCJNMK-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN CCC(CC)COC1CCC(=O)CC1 164152283 757006178 /nfs/dbraw/zinc/00/61/78/757006178.db2.gz CYZUHGOBZRCEBJ-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)CCOC1CCC(=O)CC1 164157276 757008188 /nfs/dbraw/zinc/00/81/88/757008188.db2.gz MJQWDEMQGMNOQG-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1cc(N)cc(C(C)(C)C)c1 166001311 757010712 /nfs/dbraw/zinc/01/07/12/757010712.db2.gz LSXDQNJHRUWHLK-UHFFFAOYSA-N 0 0 163.264 2.875 10 0 AFAERN CCCSCc1ccncc1 165342951 757012850 /nfs/dbraw/zinc/01/28/50/757012850.db2.gz GBMJAAYXVVQTKO-UHFFFAOYSA-N 0 0 167.277 2.725 10 0 AFAERN C#CCCC[C@@H](C)OC(=O)CCC 166269612 757015176 /nfs/dbraw/zinc/01/51/76/757015176.db2.gz CNCYQWNYLWZRFK-SNVBAGLBSA-N 0 0 182.263 2.522 10 0 AFAERN C#CCCC[C@H](C)OC(=O)CCC 166269558 757015265 /nfs/dbraw/zinc/01/52/65/757015265.db2.gz CNCYQWNYLWZRFK-JTQLQIEISA-N 0 0 182.263 2.522 10 0 AFAERN CC[C@@H](C)OC(=O)N1CCC[C@@H](C)C1 167787570 757015722 /nfs/dbraw/zinc/01/57/22/757015722.db2.gz RDKPAKCAJCRGRI-NXEZZACHSA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@H](C)OC(=O)N1CCC[C@H](C)C1 167787865 757016152 /nfs/dbraw/zinc/01/61/52/757016152.db2.gz RDKPAKCAJCRGRI-UWVGGRQHSA-N 0 0 199.294 2.653 10 0 AFAERN CCCCOC(=O)N1CCC(C)CC1 167470241 757016275 /nfs/dbraw/zinc/01/62/75/757016275.db2.gz CSGSCXTZXRKPQU-UHFFFAOYSA-N 0 0 199.294 2.655 10 0 AFAERN CC[C@H](C)OC(=O)N1CCC[C@@H](C)C1 167787663 757016308 /nfs/dbraw/zinc/01/63/08/757016308.db2.gz RDKPAKCAJCRGRI-ZJUUUORDSA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@@H](C)OC(=O)N1CCC[C@H](C)C1 167787770 757016588 /nfs/dbraw/zinc/01/65/88/757016588.db2.gz RDKPAKCAJCRGRI-VHSXEESVSA-N 0 0 199.294 2.653 10 0 AFAERN CCCCCSCCC(C)=O 196838245 757025148 /nfs/dbraw/zinc/02/51/48/757025148.db2.gz FPOUCAKYBTXMHS-UHFFFAOYSA-N 0 0 174.309 2.889 10 0 AFAERN C/C=C/C=C\C(=O)N1CCCC[C@@H]1C 200892616 757028730 /nfs/dbraw/zinc/02/87/30/757028730.db2.gz HKLOXKLGWYYNRJ-DDZVNZOMSA-N 0 0 193.290 2.520 10 0 AFAERN C/C=C/C=C/C(=O)N1CCCC[C@@H]1C 200892677 757029890 /nfs/dbraw/zinc/02/98/90/757029890.db2.gz HKLOXKLGWYYNRJ-NVLXPRRZSA-N 0 0 193.290 2.520 10 0 AFAERN CC(C)C(=O)OC1(C)CCCC1 200544640 757029915 /nfs/dbraw/zinc/02/99/15/757029915.db2.gz KPWORWPJFMVJMO-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN CCc1cccc(OC(=O)C2CC2)c1 205326173 757030876 /nfs/dbraw/zinc/03/08/76/757030876.db2.gz GQXFHKNHQQKEMW-UHFFFAOYSA-N 0 0 190.242 2.564 10 0 AFAERN CCOC(=O)CC1(C)CCCC1 204548086 757031021 /nfs/dbraw/zinc/03/10/21/757031021.db2.gz ZAFBSXWKRROTPR-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN CCCOC(=O)C[C@H]1CC=CCC1 205557605 757031071 /nfs/dbraw/zinc/03/10/71/757031071.db2.gz CYPSVODGBLUGQL-JTQLQIEISA-N 0 0 182.263 2.686 10 0 AFAERN CCCOC(=O)C[C@@H]1CC=CCC1 205557620 757031154 /nfs/dbraw/zinc/03/11/54/757031154.db2.gz CYPSVODGBLUGQL-SNVBAGLBSA-N 0 0 182.263 2.686 10 0 AFAERN CCCN(CCC)C(=O)/C=C/C(C)C 253464563 757040485 /nfs/dbraw/zinc/04/04/85/757040485.db2.gz RTVYQLGBHKCWLD-BQYQJAHWSA-N 0 0 197.322 2.847 10 0 AFAERN CC(C)=CC(=O)NCCCCC(C)C 300743191 757053652 /nfs/dbraw/zinc/05/36/52/757053652.db2.gz FNARVTZJTAWJMT-UHFFFAOYSA-N 0 0 197.322 2.895 10 0 AFAERN CCCNc1ccc(C(F)F)cn1 306163614 757057893 /nfs/dbraw/zinc/05/78/93/757057893.db2.gz ARJXRVSJICSXES-UHFFFAOYSA-N 0 0 186.205 2.841 10 0 AFAERN Fc1cc(Cl)ccc1CN1CCC1 306345077 757061993 /nfs/dbraw/zinc/06/19/93/757061993.db2.gz OXPKYRKMDMCTHG-UHFFFAOYSA-N 0 0 199.656 2.685 10 0 AFAERN Fc1ccc(Nc2ccccc2)nc1 306487915 757067040 /nfs/dbraw/zinc/06/70/40/757067040.db2.gz JTJOAIBGYJSCNT-UHFFFAOYSA-N 0 0 188.205 2.964 10 0 AFAERN CCCCNc1nnc(C)c(C)c1C 306763021 757074501 /nfs/dbraw/zinc/07/45/01/757074501.db2.gz UFXBYZJTJWRLHT-UHFFFAOYSA-N 0 0 193.294 2.614 10 0 AFAERN Fc1cc(Cl)cc(CN2CCC2)c1 306769264 757075674 /nfs/dbraw/zinc/07/56/74/757075674.db2.gz ADIALDNGDUJQPY-UHFFFAOYSA-N 0 0 199.656 2.685 10 0 AFAERN CCOCCC(=O)c1cccc(C)c1 53765586 571681942 /nfs/dbraw/zinc/68/19/42/571681942.db2.gz UAODMNNYIIEBDC-UHFFFAOYSA-N 0 0 192.258 2.604 10 0 AFAERN CC(C)/C=C/C(=O)Nc1ccsc1 306823413 757077629 /nfs/dbraw/zinc/07/76/29/757077629.db2.gz PYOZZDZHLWNSQZ-ONEGZZNKSA-N 0 0 195.287 2.899 10 0 AFAERN CCCCNc1nc(C)c(C)nc1C 306852540 757080557 /nfs/dbraw/zinc/08/05/57/757080557.db2.gz SEACBNFGZMEXID-UHFFFAOYSA-N 0 0 193.294 2.614 10 0 AFAERN CCCN(CC)c1ccc(C=O)s1 70609227 571686540 /nfs/dbraw/zinc/68/65/40/571686540.db2.gz YRCGVBYXQNVDMV-UHFFFAOYSA-N 0 0 197.303 2.797 10 0 AFAERN Oc1cccc(-c2cnoc2Cl)c1 213899164 571687129 /nfs/dbraw/zinc/68/71/29/571687129.db2.gz MXQDMPRNBHCSDD-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN C[C@@H](O)c1ccc2[nH]cc(Cl)c2c1 213904522 571687149 /nfs/dbraw/zinc/68/71/49/571687149.db2.gz GBRHKYQSMBYIAT-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN CC[C@@H](C)Nc1ccc2c(c1)CCO2 37103791 571688295 /nfs/dbraw/zinc/68/82/95/571688295.db2.gz IPHJNDRAYQBSSI-SECBINFHSA-N 0 0 191.274 2.832 10 0 AFAERN C[C@H](CCCO)Cc1ccccc1 34763370 571697187 /nfs/dbraw/zinc/69/71/87/571697187.db2.gz AGDZLLRNCUWXEU-LLVKDONJSA-N 0 0 178.275 2.638 10 0 AFAERN CSc1ccc(C[NH+]2CCC2)cc1 307046275 757085663 /nfs/dbraw/zinc/08/56/63/757085663.db2.gz XHNUBZOSCNXFTC-UHFFFAOYSA-N 0 0 193.315 2.614 10 0 AFAERN CCc1ccc(C(=O)C(C)C)cc1N 32008360 571963232 /nfs/dbraw/zinc/96/32/32/571963232.db2.gz VBMUOZYSJYSDKV-UHFFFAOYSA-N 0 0 191.274 2.670 10 0 AFAERN CC(C)C(=O)[C@@H]1CCCCSC1 214095553 571713919 /nfs/dbraw/zinc/71/39/19/571713919.db2.gz UHQPIESKIIDGHM-SECBINFHSA-N 0 0 186.320 2.745 10 0 AFAERN Clc1ccc(CN2CCC2)cc1 307388763 757089744 /nfs/dbraw/zinc/08/97/44/757089744.db2.gz OVIWMDXUNSFPHN-UHFFFAOYSA-N 0 0 181.666 2.546 10 0 AFAERN COC[C@@H](C)C(=O)C1CCC(C)CC1 69904421 571727209 /nfs/dbraw/zinc/72/72/09/571727209.db2.gz DIPQMUBAUKEKSO-HSOILSAZSA-N 0 0 198.306 2.664 10 0 AFAERN Fc1ccc(Cl)cc1CN1CCC1 307419226 757090462 /nfs/dbraw/zinc/09/04/62/757090462.db2.gz XSOVHCUJXBHUIB-UHFFFAOYSA-N 0 0 199.656 2.685 10 0 AFAERN CC1(C)C=CC(c2ccccc2)=N1 32210270 571971603 /nfs/dbraw/zinc/97/16/03/571971603.db2.gz OZYFUWNHCLRCGY-UHFFFAOYSA-N 0 0 171.243 2.824 10 0 AFAERN C[C@]12CCCC[C@@H]1CCC2=O 32225559 571974731 /nfs/dbraw/zinc/97/47/31/571974731.db2.gz WYKZJZRPDWKUBM-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN CCCOC(=O)NC(C)(C)C1CCC1 398142097 571727253 /nfs/dbraw/zinc/72/72/53/571727253.db2.gz OTFQTPHTGDJIOX-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@@H](C)Nc1cc(C)cc(OC)n1 307605695 757094940 /nfs/dbraw/zinc/09/49/40/757094940.db2.gz ZAOSHPPELQKILA-SECBINFHSA-N 0 0 194.278 2.609 10 0 AFAERN CC[C@H](C)Nc1cc(C)cc(OC)n1 307605696 757095142 /nfs/dbraw/zinc/09/51/42/757095142.db2.gz ZAOSHPPELQKILA-VIFPVBQESA-N 0 0 194.278 2.609 10 0 AFAERN CCCCNc1[nH+]cc(C)cc1C 307597778 757095524 /nfs/dbraw/zinc/09/55/24/757095524.db2.gz OAINMAUKWUCTHL-UHFFFAOYSA-N 0 0 178.279 2.910 10 0 AFAERN CCOC(=O)N[C@@H](C)C1CCCCC1 81560035 571986931 /nfs/dbraw/zinc/98/69/31/571986931.db2.gz ATYWDHWOJOEGNI-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN CC1(C)CCN1Cc1ccc(Cl)o1 307665400 757096652 /nfs/dbraw/zinc/09/66/52/757096652.db2.gz AOQFEFQGFITIKV-UHFFFAOYSA-N 0 0 199.681 2.917 10 0 AFAERN CC(C)c1nnc([C@@H]2CC2(C)C)o1 307673618 757097369 /nfs/dbraw/zinc/09/73/69/757097369.db2.gz BSBNMTWVBCSICP-ZETCQYMHSA-N 0 0 180.251 2.707 10 0 AFAERN CC(=O)C[C@H]1CCC=C[C@H]1C 4705648 571828391 /nfs/dbraw/zinc/82/83/91/571828391.db2.gz UNSJHQKNEOTFKH-PSASIEDQSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1ccc(C)c2c1CC[C@H](C)[C@H]2O 4896496 571828394 /nfs/dbraw/zinc/82/83/94/571828394.db2.gz RJLAJQDKXWWUNG-GXFFZTMASA-N 0 0 190.286 2.919 10 0 AFAERN C/C=C\C[C@@H](O)CCCC 78134796 571828404 /nfs/dbraw/zinc/82/84/04/571828404.db2.gz YNAPJTXCVLTFDB-AZVKUDOFSA-N 0 0 142.242 2.504 10 0 AFAERN CCCCNc1cccs1 38881626 571861341 /nfs/dbraw/zinc/86/13/41/571861341.db2.gz LCFAQTMEWDFHRC-UHFFFAOYSA-N 0 0 155.266 2.960 10 0 AFAERN CC1=CC(C)(C)CC(=O)[C@@H]1C 138941725 571861344 /nfs/dbraw/zinc/86/13/44/571861344.db2.gz IUHOAZPLWKKODH-MRVPVSSYSA-N 0 0 152.237 2.568 10 0 AFAERN C[C@H](C(=O)OC1CC1)c1cccs1 308165777 757102440 /nfs/dbraw/zinc/10/24/40/757102440.db2.gz XLXWUOCQXCWRTG-ZETCQYMHSA-N 0 0 196.271 2.557 10 0 AFAERN Nc1cccc(O)c1-c1ccccc1 38860946 571861347 /nfs/dbraw/zinc/86/13/47/571861347.db2.gz UOBWAODYTSELAE-UHFFFAOYSA-N 0 0 185.226 2.641 10 0 AFAERN C/C=C\c1ccc(O)c(OCC)c1 111391317 571861362 /nfs/dbraw/zinc/86/13/62/571861362.db2.gz CITAIFOMEIPORB-HYXAFXHYSA-N 0 0 178.231 2.824 10 0 AFAERN CC(C)CCC[C@H](C)N1CC(F)C1 308133077 757100853 /nfs/dbraw/zinc/10/08/53/757100853.db2.gz CHQKAPJJEKEFLY-JTQLQIEISA-N 0 0 187.302 2.855 10 0 AFAERN C[C@@H](C(=O)OC1CC1)c1cccs1 308165774 757101025 /nfs/dbraw/zinc/10/10/25/757101025.db2.gz XLXWUOCQXCWRTG-SSDOTTSWSA-N 0 0 196.271 2.557 10 0 AFAERN CC[C@H](NC(=O)C=C(C)C)C(C)C 300746816 571875826 /nfs/dbraw/zinc/87/58/26/571875826.db2.gz XFKVZULLARHUFB-JTQLQIEISA-N 0 0 183.295 2.503 10 0 AFAERN CCC(CC)CO[C@@H](C)[C@H](O)CC 300873774 571998007 /nfs/dbraw/zinc/99/80/07/571998007.db2.gz QFVLEWBEOGWRNH-GXSJLCMTSA-N 0 0 188.311 2.599 10 0 AFAERN CN(C)Cc1c(F)cccc1Cl 14218113 572001433 /nfs/dbraw/zinc/00/14/33/572001433.db2.gz QWVHQIKIAWOBEO-UHFFFAOYSA-N 0 0 187.645 2.541 10 0 AFAERN CC1(C)C=CC(C(C)(C)CO)=CC1 39168559 571906404 /nfs/dbraw/zinc/90/64/04/571906404.db2.gz JVAJGVRHCQDGGH-UHFFFAOYSA-N 0 0 180.291 2.917 10 0 AFAERN CC(=O)O[C@@H](C(C)(C)C)C(F)(F)F 308169178 757105451 /nfs/dbraw/zinc/10/54/51/757105451.db2.gz YVNTZYVNJYXXGF-LURJTMIESA-N 0 0 198.184 2.527 10 0 AFAERN CC1(C)C[C@]2(C)CC[C@H]1C(=O)C2 39205569 571909650 /nfs/dbraw/zinc/90/96/50/571909650.db2.gz VWZJVOKRPDAFRX-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)CC(=O)OC1(C)CCC1 308074423 757106699 /nfs/dbraw/zinc/10/66/99/757106699.db2.gz CUUBDWVIYFVUAB-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN O=Cc1cc2[nH]c3ccccc3c2o1 39216198 571909673 /nfs/dbraw/zinc/90/96/73/571909673.db2.gz SAZSGBRXHBUYIQ-UHFFFAOYSA-N 0 0 185.182 2.727 10 0 AFAERN CC(C)CCC[C@@H](C)N1CC(F)C1 308133078 757106881 /nfs/dbraw/zinc/10/68/81/757106881.db2.gz CHQKAPJJEKEFLY-SNVBAGLBSA-N 0 0 187.302 2.855 10 0 AFAERN c1cc2c(ccc3cc[nH]c32)[nH]1 39216588 571909684 /nfs/dbraw/zinc/90/96/84/571909684.db2.gz LFQBROSJQFUYMI-UHFFFAOYSA-N 0 0 156.188 2.649 10 0 AFAERN CCCOC(=O)N(C)C(CC)CC 308190344 757107442 /nfs/dbraw/zinc/10/74/42/757107442.db2.gz NGCBKCZLRAYNJL-UHFFFAOYSA-N 0 0 187.283 2.653 10 0 AFAERN CC(C)[C@H](C)C(=O)OC1(C)CCC1 308275654 757108573 /nfs/dbraw/zinc/10/85/73/757108573.db2.gz UYPHECFQXQGUGJ-VIFPVBQESA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)[C@H](C)OC(=O)CCC(F)F 308275675 757108586 /nfs/dbraw/zinc/10/85/86/757108586.db2.gz UZCPUDLJMCJCFM-ZETCQYMHSA-N 0 0 194.221 2.619 10 0 AFAERN CC(C)[C@@H](C)C(=O)OC1(C)CCC1 308275652 757108666 /nfs/dbraw/zinc/10/86/66/757108666.db2.gz UYPHECFQXQGUGJ-SECBINFHSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)[C@@H](C)OC(=O)CCC(F)F 308275673 757108693 /nfs/dbraw/zinc/10/86/93/757108693.db2.gz UZCPUDLJMCJCFM-SSDOTTSWSA-N 0 0 194.221 2.619 10 0 AFAERN CCc1cccc2ncccc12 39214249 571910214 /nfs/dbraw/zinc/91/02/14/571910214.db2.gz SPOFSSIBSPLKSQ-UHFFFAOYSA-N 0 0 157.216 2.797 10 0 AFAERN CO[C@@H](C)[C@@H](O)CCCC(C)(C)C 300881639 572009182 /nfs/dbraw/zinc/00/91/82/572009182.db2.gz OOUXJIBTGYURHI-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](C)n1ccc(C(C)=O)c1 39071778 571910240 /nfs/dbraw/zinc/91/02/40/571910240.db2.gz CMXFNQUJJUTGQF-QMMMGPOBSA-N 0 0 165.236 2.662 10 0 AFAERN CCCCNc1nc(C)c(C)o1 39203423 571910702 /nfs/dbraw/zinc/91/07/02/571910702.db2.gz FRTDTGDGJTYSLM-UHFFFAOYSA-N 0 0 168.240 2.503 10 0 AFAERN O=C1CCCc2c[nH]c3cccc1c23 39216188 571910710 /nfs/dbraw/zinc/91/07/10/571910710.db2.gz NNVPGWIOLMIRLO-UHFFFAOYSA-N 0 0 185.226 2.687 10 0 AFAERN CC(C)=CCc1c(O)cccc1O 39208653 571910735 /nfs/dbraw/zinc/91/07/35/571910735.db2.gz HSBIHISMDNUECF-UHFFFAOYSA-N 0 0 178.231 2.607 10 0 AFAERN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)C(F)F 300239489 572017290 /nfs/dbraw/zinc/01/72/90/572017290.db2.gz AFRWRSKSUKQIED-VGMNWLOBSA-N 0 0 191.265 2.666 10 0 AFAERN Cc1cc2ncn(C)c2cc1Cl 39333333 571921388 /nfs/dbraw/zinc/92/13/88/571921388.db2.gz IFYFSAIVWPHQRA-UHFFFAOYSA-N 0 0 180.638 2.535 10 0 AFAERN CCC(CC)[C@H](NN)[C@@H]1CCC[C@H]1C 300237597 572017298 /nfs/dbraw/zinc/01/72/98/572017298.db2.gz ZEXHTJLZZHPKPJ-JLLWLGSASA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@H](C)SCCCC(C)=O 35229260 572017303 /nfs/dbraw/zinc/01/73/03/572017303.db2.gz WWUITKOBYKXAQO-VIFPVBQESA-N 0 0 174.309 2.887 10 0 AFAERN CC(C)(C)[C@@]1(C)CCCC1=O 196140755 571922983 /nfs/dbraw/zinc/92/29/83/571922983.db2.gz SQHZAEKXQGTIKD-JTQLQIEISA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1CC[C@@H](C(C)(C)C)C1=O 196140780 571923005 /nfs/dbraw/zinc/92/30/05/571923005.db2.gz BRKPCAMRUIQAAM-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@@H]1Cc2ccccc2[C@@H]1O 39342146 571923017 /nfs/dbraw/zinc/92/30/17/571923017.db2.gz GYGNBPUVFBQPFV-RYUDHWBXSA-N 0 0 176.259 2.548 10 0 AFAERN Cc1cc(=S)[nH]c2ccncc12 11737085 571953901 /nfs/dbraw/zinc/95/39/01/571953901.db2.gz YLYYWPFHMMGGPR-UHFFFAOYSA-N 0 0 176.244 2.601 10 0 AFAERN CCOCCCC(=O)c1ccccc1 35359152 572020552 /nfs/dbraw/zinc/02/05/52/572020552.db2.gz IMDRZSPOVMVHHV-UHFFFAOYSA-N 0 0 192.258 2.686 10 0 AFAERN CC1=CCC(C)(C)[C@H](O)CC1 14822340 572021420 /nfs/dbraw/zinc/02/14/20/572021420.db2.gz VKAFINVFYIQQEY-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CCCO[C@]1(C(=O)CCC)CC[C@@H]1C 687690683 571963258 /nfs/dbraw/zinc/96/32/58/571963258.db2.gz MROLRMNTYJKTFY-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN C=C=CC1(OC)CCCCC1 205002214 572021441 /nfs/dbraw/zinc/02/14/41/572021441.db2.gz URIKQIWUCPWAGX-UHFFFAOYSA-N 0 0 152.237 2.677 10 0 AFAERN CCO[C@]1(C(C)=O)CC(C)(C)C[C@H]1C 687690695 571963575 /nfs/dbraw/zinc/96/35/75/571963575.db2.gz MZMZTGGUWARDMK-BXKDBHETSA-N 0 0 198.306 2.807 10 0 AFAERN CCCO[C@]1(C(=O)CC)CC[C@H]1C 687691186 571965702 /nfs/dbraw/zinc/96/57/02/571965702.db2.gz VVMNPJZOWSXKHK-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CCC[C@@H](C)C[C@H](CC)CO 80406172 571965724 /nfs/dbraw/zinc/96/57/24/571965724.db2.gz PRYOYNLJFRMWRM-ZJUUUORDSA-N 0 0 158.285 2.831 10 0 AFAERN C[C@@]12CCCCC(=O)[C@H]1CCC2 32134810 571965750 /nfs/dbraw/zinc/96/57/50/571965750.db2.gz NXZBFZHTKMMBPY-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CC23CCCC2(CCC3)C1 32134678 571965832 /nfs/dbraw/zinc/96/58/32/571965832.db2.gz PPINRZIOVZMZDZ-UHFFFAOYSA-N 0 0 164.248 2.690 10 0 AFAERN CCCO[C@](C)(C(C)=O)C1CCCC1 687690923 571965833 /nfs/dbraw/zinc/96/58/33/571965833.db2.gz WLRNXERRZJKXGT-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CSCCCn1c(C)ccc1C 69014745 572022329 /nfs/dbraw/zinc/02/23/29/572022329.db2.gz CMLGFXVABHAMGM-UHFFFAOYSA-N 0 0 183.320 2.858 10 0 AFAERN O=C1C[C@@H]2CC[C@H]1C1CCC2CC1 32170583 571968382 /nfs/dbraw/zinc/96/83/82/571968382.db2.gz NUGIVMPBLSBROV-TVUZUIDESA-N 0 0 178.275 2.792 10 0 AFAERN CCCCO[C@@H](C)c1nc(CC)no1 349789908 757125757 /nfs/dbraw/zinc/12/57/57/757125757.db2.gz HYVTYDGKWZTRCA-QMMMGPOBSA-N 0 0 198.266 2.510 10 0 AFAERN Cc1cc2c(C)c(F)ccc2[nH]1 39088990 571970783 /nfs/dbraw/zinc/97/07/83/571970783.db2.gz IDWZXWWMKRAAHB-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN CC(C)C[C@H](C)C[C@H](N)C(F)(F)F 300892659 572026142 /nfs/dbraw/zinc/02/61/42/572026142.db2.gz KAUJTFILNDTWIU-YUMQZZPRSA-N 0 0 197.244 2.948 10 0 AFAERN CCC[C@H](C)CNc1ccn(CC)n1 300828713 571970844 /nfs/dbraw/zinc/97/08/44/571970844.db2.gz BZHRTVZCFYJOJE-JTQLQIEISA-N 0 0 195.310 2.751 10 0 AFAERN Cc1c(N)nc(Cl)c2ccccc12 32232146 571973483 /nfs/dbraw/zinc/97/34/83/571973483.db2.gz TXEIXMADNGAPPS-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN OCc1ccc(Nc2ccccc2)cc1 32234321 571973486 /nfs/dbraw/zinc/97/34/86/571973486.db2.gz AYCBYUAUDKNICE-UHFFFAOYSA-N 0 0 199.253 2.923 10 0 AFAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CO 32227030 571973488 /nfs/dbraw/zinc/97/34/88/571973488.db2.gz AEFLYRHUYOYCLW-MXWKQRLJSA-N 0 0 170.296 2.687 10 0 AFAERN C[C@]12CCCC[C@H]1CCC2=O 32225561 571973495 /nfs/dbraw/zinc/97/34/95/571973495.db2.gz WYKZJZRPDWKUBM-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@@]12CCCC[C@@H]1CCC2=O 32225558 571973501 /nfs/dbraw/zinc/97/35/01/571973501.db2.gz WYKZJZRPDWKUBM-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN CC(=O)N[C@@H]1C[C@H](C(C)C)CC=C1C 32227888 571973804 /nfs/dbraw/zinc/97/38/04/571973804.db2.gz IYKRBUAHMLXGDT-VXGBXAGGSA-N 0 0 195.306 2.503 10 0 AFAERN Cc1cccc2cc(CO)sc12 32220923 571973820 /nfs/dbraw/zinc/97/38/20/571973820.db2.gz QCHRXZNKBPUBEX-UHFFFAOYSA-N 0 0 178.256 2.702 10 0 AFAERN CC1=Nc2ccc(N)cc2N=C(C)C1 32223090 571973833 /nfs/dbraw/zinc/97/38/33/571973833.db2.gz IVLLFKNZCNGPNE-UHFFFAOYSA-N 0 0 187.246 2.857 10 0 AFAERN O=C1CCCCC[C@@H]2CCC[C@@H]12 32228988 571974177 /nfs/dbraw/zinc/97/41/77/571974177.db2.gz MXOFZTWJSWAANZ-NXEZZACHSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1CCCC[C@@]12CCC2=O 32225722 571974184 /nfs/dbraw/zinc/97/41/84/571974184.db2.gz CZWVWMYESMGDLX-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1CCCCC[C@H]2CCC[C@@H]12 32228990 571974205 /nfs/dbraw/zinc/97/42/05/571974205.db2.gz MXOFZTWJSWAANZ-VHSXEESVSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1CCCC[C@]12CCC2=O 32225724 571974226 /nfs/dbraw/zinc/97/42/26/571974226.db2.gz CZWVWMYESMGDLX-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN Fc1cccc2c1[nH]c1ncccc12 139774389 571974247 /nfs/dbraw/zinc/97/42/47/571974247.db2.gz DPOAXPVMLVCRMJ-UHFFFAOYSA-N 0 0 186.189 2.855 10 0 AFAERN CC(C)[C@@H]1COC(C)(C)SC1 32223733 571974259 /nfs/dbraw/zinc/97/42/59/571974259.db2.gz RVKBXXXPZYYVDK-MRVPVSSYSA-N 0 0 174.309 2.758 10 0 AFAERN Fc1cccc2[nH]c3ncccc3c12 139746798 571974273 /nfs/dbraw/zinc/97/42/73/571974273.db2.gz FGQWZBDLXJIGES-UHFFFAOYSA-N 0 0 186.189 2.855 10 0 AFAERN O=C1CCCCC[C@@H]2CCC[C@H]12 32228984 571974274 /nfs/dbraw/zinc/97/42/74/571974274.db2.gz MXOFZTWJSWAANZ-ZJUUUORDSA-N 0 0 166.264 2.936 10 0 AFAERN CCC(CC)CO[C@@H](C)CC(C)=O 300832113 571979381 /nfs/dbraw/zinc/97/93/81/571979381.db2.gz HVERLBFIBAEDKY-JTQLQIEISA-N 0 0 186.295 2.807 10 0 AFAERN CCc1ccc(-c2c[nH]cn2)cc1 41168543 571979431 /nfs/dbraw/zinc/97/94/31/571979431.db2.gz DPYOCJVDJUXASR-UHFFFAOYSA-N 0 0 172.231 2.639 10 0 AFAERN C/C(=C/[C@H](C)CC(C)C)[C@@H](C)O 300834752 571979480 /nfs/dbraw/zinc/97/94/80/571979480.db2.gz CLMOWHZZOBRQDV-XMZCBSEDSA-N 0 0 170.296 2.996 10 0 AFAERN Cc1ccc(CC(=O)C2CC2)c(C)c1 41204195 571979853 /nfs/dbraw/zinc/97/98/53/571979853.db2.gz BXEWLWXXXBVSMY-UHFFFAOYSA-N 0 0 188.270 2.825 10 0 AFAERN CC(C)(C)CCCn1cc(C=O)cn1 300831521 571979870 /nfs/dbraw/zinc/97/98/70/571979870.db2.gz IIIVKOWZVBDHTQ-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN Cc1cccc([C@@H](C)CCO)c1C 41200598 571979904 /nfs/dbraw/zinc/97/99/04/571979904.db2.gz YMYLAEJTKIEFRC-JTQLQIEISA-N 0 0 178.275 2.789 10 0 AFAERN Cc1cc(Cc2ccccc2C)n[nH]1 41203527 571979920 /nfs/dbraw/zinc/97/99/20/571979920.db2.gz DBXOQBSRCHGAFT-UHFFFAOYSA-N 0 0 186.258 2.617 10 0 AFAERN CC[C@H](CO)c1ccc(C)cc1C 41200544 571979965 /nfs/dbraw/zinc/97/99/65/571979965.db2.gz BYRIGPNCROBSDT-LLVKDONJSA-N 0 0 178.275 2.789 10 0 AFAERN CCC1(CS[C@@H](C)CO)CCC1 393338600 571979968 /nfs/dbraw/zinc/97/99/68/571979968.db2.gz QAPWUOCLQSMMEZ-VIFPVBQESA-N 0 0 188.336 2.681 10 0 AFAERN C/C(=C/c1cccc(F)c1F)[N+](=O)[O-] 209267541 571979999 /nfs/dbraw/zinc/97/99/99/571979999.db2.gz JYDWBDXZTSETGY-WAYWQWQTSA-N 0 0 199.156 2.602 10 0 AFAERN Cc1cc([C@H](C)CCO)ccc1F 41202101 571980696 /nfs/dbraw/zinc/98/06/96/571980696.db2.gz FGDZXCCFYNEFRQ-MRVPVSSYSA-N 0 0 182.238 2.620 10 0 AFAERN C[C@H]1C[C@@H](CCO)c2ccccc21 41199635 571980698 /nfs/dbraw/zinc/98/06/98/571980698.db2.gz ZKZXJXNBIYSYLG-VHSXEESVSA-N 0 0 176.259 2.660 10 0 AFAERN C[C@@H]1C[C@H](CCO)c2ccccc21 41199626 571981070 /nfs/dbraw/zinc/98/10/70/571981070.db2.gz ZKZXJXNBIYSYLG-ZJUUUORDSA-N 0 0 176.259 2.660 10 0 AFAERN C[C@H](CCO)c1ccccc1Cl 41202933 571981111 /nfs/dbraw/zinc/98/11/11/571981111.db2.gz CGXUBQQLNMRJAZ-MRVPVSSYSA-N 0 0 184.666 2.826 10 0 AFAERN CCCC(=O)c1cccc(F)c1O 41201964 571981130 /nfs/dbraw/zinc/98/11/30/571981130.db2.gz UURHBKSKAGPBSF-UHFFFAOYSA-N 0 0 182.194 2.514 10 0 AFAERN CC[C@@H](CO)c1ccc(Cl)cc1 41202897 571981181 /nfs/dbraw/zinc/98/11/81/571981181.db2.gz XTLFEEWCIHGIBO-QMMMGPOBSA-N 0 0 184.666 2.826 10 0 AFAERN CCC(=O)c1cccc(CC)c1O 41200381 571981199 /nfs/dbraw/zinc/98/11/99/571981199.db2.gz UNPHVLFDKALFFE-UHFFFAOYSA-N 0 0 178.231 2.547 10 0 AFAERN CCC[C@@H](C)Oc1cccnc1 81131075 571981201 /nfs/dbraw/zinc/98/12/01/571981201.db2.gz XVGYUFRSFNDZBF-SECBINFHSA-N 0 0 165.236 2.649 10 0 AFAERN Cc1ccc2c(c1)C[C@@H](C(C)C)N2 41199338 571981205 /nfs/dbraw/zinc/98/12/05/571981205.db2.gz MNQITVVZKLQCIW-LBPRGKRZSA-N 0 0 175.275 2.988 10 0 AFAERN CCCC(=O)c1cccc(C)c1O 41200369 571981241 /nfs/dbraw/zinc/98/12/41/571981241.db2.gz AHSUHORDLOQORF-UHFFFAOYSA-N 0 0 178.231 2.683 10 0 AFAERN CC[C@H](C)[C@H](O)c1sc(C)nc1C 233996235 571981242 /nfs/dbraw/zinc/98/12/42/571981242.db2.gz KMJQBHIODPNMQN-RCOVLWMOSA-N 0 0 199.319 2.839 10 0 AFAERN Cc1ccc(Cc2cc(C)[nH]n2)cc1 41203539 571981254 /nfs/dbraw/zinc/98/12/54/571981254.db2.gz GSTCQGBELNAJAX-UHFFFAOYSA-N 0 0 186.258 2.617 10 0 AFAERN CC[C@@H](CO)c1ccc(C)cc1C 41200541 571981268 /nfs/dbraw/zinc/98/12/68/571981268.db2.gz BYRIGPNCROBSDT-NSHDSACASA-N 0 0 178.275 2.789 10 0 AFAERN C[C@@H]1C[C@H](CCO)c2cc(F)ccc21 41206676 571982554 /nfs/dbraw/zinc/98/25/54/571982554.db2.gz JWRRPZYVYJBGQS-BDAKNGLRSA-N 0 0 194.249 2.799 10 0 AFAERN CCCCCOCCCC(C)=O 37330838 572045912 /nfs/dbraw/zinc/04/59/12/572045912.db2.gz PIZSYFVWYGGVIF-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN Cc1cccc(C(=O)CC(C)C)c1O 41205949 571983161 /nfs/dbraw/zinc/98/31/61/571983161.db2.gz BVAHMQOJOGFWNC-UHFFFAOYSA-N 0 0 192.258 2.929 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](NN)C1(C)CC1 300843285 571983171 /nfs/dbraw/zinc/98/31/71/571983171.db2.gz DKYJDTPIHHRUQX-MNOVXSKESA-N 0 0 198.354 2.691 10 0 AFAERN OCC[C@H]1CCCc2ccc(F)cc21 41206675 571983182 /nfs/dbraw/zinc/98/31/82/571983182.db2.gz NRECZYUODHMXJK-SNVBAGLBSA-N 0 0 194.249 2.628 10 0 AFAERN CC(C)CC(=O)c1cccc(F)c1O 41207284 571983936 /nfs/dbraw/zinc/98/39/36/571983936.db2.gz DAWWYMSGAWGSMW-UHFFFAOYSA-N 0 0 196.221 2.760 10 0 AFAERN CC(C)(C)C[C@H](O)[C@]1(C)C[C@@H]1F 713173543 571984864 /nfs/dbraw/zinc/98/48/64/571984864.db2.gz ZLZLCPNELPYMRK-OYNCUSHFSA-N 0 0 174.259 2.532 10 0 AFAERN Cc1cccc(Cc2cc(C)[nH]n2)c1 41203533 571981029 /nfs/dbraw/zinc/98/10/29/571981029.db2.gz YXNQJVZSQBJHPS-UHFFFAOYSA-N 0 0 186.258 2.617 10 0 AFAERN CCOC(=O)N[C@@H](C)c1ccsc1 81560028 571985645 /nfs/dbraw/zinc/98/56/45/571985645.db2.gz ONAHRHCVQLYTKL-ZETCQYMHSA-N 0 0 199.275 2.555 10 0 AFAERN CC(C)(C)C[C@H](O)[C@]1(C)C[C@H]1F 713173523 571985697 /nfs/dbraw/zinc/98/56/97/571985697.db2.gz ZLZLCPNELPYMRK-KHQFGBGNSA-N 0 0 174.259 2.532 10 0 AFAERN C/C=C/[C@](C)(O)C1CCCCC1 220007454 571985734 /nfs/dbraw/zinc/98/57/34/571985734.db2.gz IMXOTTYTILNNSU-BWLWAFFFSA-N 0 0 168.280 2.894 10 0 AFAERN CCCOC(=O)[C@H](C)CC(F)(F)F 402726272 757165023 /nfs/dbraw/zinc/16/50/23/757165023.db2.gz JPFZCHOPGQKMMT-ZCFIWIBFSA-N 0 0 198.184 2.528 10 0 AFAERN CCC[C@H](C)C[C@@](C)(O)COCC 230074365 571986484 /nfs/dbraw/zinc/98/64/84/571986484.db2.gz AYTBOZMMMQMENI-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)=C=CCCC[C@@H](C)O 196165395 571986506 /nfs/dbraw/zinc/98/65/06/571986506.db2.gz NCRUMSBDYVKFIF-SNVBAGLBSA-N 0 0 154.253 2.659 10 0 AFAERN CCCCCCNc1nccnc1F 402629856 757165787 /nfs/dbraw/zinc/16/57/87/757165787.db2.gz YVPZOQKFJNFQOK-UHFFFAOYSA-N 0 0 197.257 2.608 10 0 AFAERN CCN(C(=O)C(C)(C)C)C1CCCC1 81561044 571986514 /nfs/dbraw/zinc/98/65/14/571986514.db2.gz CTVITANXCJSZMO-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CCCN(C(=O)C(C)(C)C)C(C)C 81560965 571986549 /nfs/dbraw/zinc/98/65/49/571986549.db2.gz SQVDYZQWTCFZMI-UHFFFAOYSA-N 0 0 185.311 2.680 10 0 AFAERN CCCC(=O)N(C)c1cccc(F)c1 81561793 571986568 /nfs/dbraw/zinc/98/65/68/571986568.db2.gz LPDGSRXRFILLPP-UHFFFAOYSA-N 0 0 195.237 2.589 10 0 AFAERN CCCC[C@H](C)NC(=O)C(C)(C)C 81561201 571986580 /nfs/dbraw/zinc/98/65/80/571986580.db2.gz RFSSAUSNGSZBOY-VIFPVBQESA-N 0 0 185.311 2.727 10 0 AFAERN CCC(=S)NCc1ccccc1 196163095 571986598 /nfs/dbraw/zinc/98/65/98/571986598.db2.gz FERLRLLUGLWQQI-UHFFFAOYSA-N 0 0 179.288 2.514 10 0 AFAERN CCOC(=O)N[C@H](C)c1ccsc1 81560031 571986942 /nfs/dbraw/zinc/98/69/42/571986942.db2.gz ONAHRHCVQLYTKL-SSDOTTSWSA-N 0 0 199.275 2.555 10 0 AFAERN CCCC[C@H](C)[C@H](O)C(C)C 300851618 571987518 /nfs/dbraw/zinc/98/75/18/571987518.db2.gz BENYXLSYMZZUQN-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](C)CNC(=O)CC1CCCC1 114057627 571987531 /nfs/dbraw/zinc/98/75/31/571987531.db2.gz SZKXIGSHPVKJLC-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CC(=O)COCC1CCCCCC1 300850767 571987546 /nfs/dbraw/zinc/98/75/46/571987546.db2.gz BASVBAXKQZYJCI-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN Cc1c(N)cc2c(c1C)OC(C)(C)C2 13652067 571987566 /nfs/dbraw/zinc/98/75/66/571987566.db2.gz IHKWRBXBJDXLNT-UHFFFAOYSA-N 0 0 191.274 2.599 10 0 AFAERN CC(C)=C=CCCC[C@H](C)O 196165384 571987568 /nfs/dbraw/zinc/98/75/68/571987568.db2.gz NCRUMSBDYVKFIF-JTQLQIEISA-N 0 0 154.253 2.659 10 0 AFAERN CCCOC(=O)[C@@H](C)CC(F)(F)F 402726269 757169767 /nfs/dbraw/zinc/16/97/67/757169767.db2.gz JPFZCHOPGQKMMT-LURJTMIESA-N 0 0 198.184 2.528 10 0 AFAERN CCn1ccc2c(C)cccc21 34077496 572053115 /nfs/dbraw/zinc/05/31/15/572053115.db2.gz KGYWNFIJXJVHIL-UHFFFAOYSA-N 0 0 159.232 2.970 10 0 AFAERN CCCC[C@@H](C)[C@H](O)COC(C)C 300857515 571990303 /nfs/dbraw/zinc/99/03/03/571990303.db2.gz CAURQPABQJWMRS-GHMZBOCLSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@@H](OC[C@@H](C)O)c1ccccc1 403236106 757173166 /nfs/dbraw/zinc/17/31/66/757173166.db2.gz CDPQAQVZGHCYEQ-ZYHUDNBSSA-N 0 0 194.274 2.535 10 0 AFAERN CC(C)=C(C)CC[C@H](C)O 34172257 572060158 /nfs/dbraw/zinc/06/01/58/572060158.db2.gz CGNMKTBNAPKVSZ-VIFPVBQESA-N 0 0 142.242 2.504 10 0 AFAERN Cc1ccc2ncc(Cl)c(N)c2c1 41702172 571992886 /nfs/dbraw/zinc/99/28/86/571992886.db2.gz NTVFXLCMYFHUJF-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CC[C@@H](OC[C@H](C)O)c1ccccc1 403236080 757176405 /nfs/dbraw/zinc/17/64/05/757176405.db2.gz CDPQAQVZGHCYEQ-CMPLNLGQSA-N 0 0 194.274 2.535 10 0 AFAERN COCC[C@@H](C)n1c(C)ccc1C 81721285 571992896 /nfs/dbraw/zinc/99/28/96/571992896.db2.gz CPKNXWOWIXVSOY-LLVKDONJSA-N 0 0 181.279 2.702 10 0 AFAERN CCc1cc(C(C)=O)cc2ncoc12 41652506 571992965 /nfs/dbraw/zinc/99/29/65/571992965.db2.gz CTFZCJRDHPOQJV-UHFFFAOYSA-N 0 0 189.214 2.593 10 0 AFAERN S=C1NC=CSc2ccccc21 140044090 571992982 /nfs/dbraw/zinc/99/29/82/571992982.db2.gz MKFFHOVEYXPGFM-UHFFFAOYSA-N 0 0 193.296 2.529 10 0 AFAERN CC(C)C1=CC=C[C@]2(C(C)C)N=C12 39104809 571993021 /nfs/dbraw/zinc/99/30/21/571993021.db2.gz ARZMIHXTRFGFGP-GFCCVEGCSA-N 0 0 175.275 2.988 10 0 AFAERN CC(=O)Nc1cc(C)c(Cl)cc1C 34327664 572072446 /nfs/dbraw/zinc/07/24/46/572072446.db2.gz WNYDDQYLDWSACW-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN CCCCOC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403448168 757179918 /nfs/dbraw/zinc/17/99/18/757179918.db2.gz XMDNMWXDXFPGAX-AXFHLTTASA-N 0 0 196.290 2.766 10 0 AFAERN CCCCOC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403448170 757180572 /nfs/dbraw/zinc/18/05/72/757180572.db2.gz XMDNMWXDXFPGAX-GMTAPVOTSA-N 0 0 196.290 2.766 10 0 AFAERN CCN(C)C(=O)C(C)(C)C(C)(C)C 388342193 572079238 /nfs/dbraw/zinc/07/92/38/572079238.db2.gz KGAPSQPUGUFALT-UHFFFAOYSA-N 0 0 185.311 2.537 10 0 AFAERN CC(C)C(=O)CCc1ccc(F)cc1 36988267 572079247 /nfs/dbraw/zinc/07/92/47/572079247.db2.gz UIMAVSUWULRANS-UHFFFAOYSA-N 0 0 194.249 2.983 10 0 AFAERN CC[C@H]1CCC[C@H](CC)C1=O 139958956 571994211 /nfs/dbraw/zinc/99/42/11/571994211.db2.gz CATGMLRVPMQRJQ-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN Fc1ccc2c(c1)ncc1cccn12 140042727 571994236 /nfs/dbraw/zinc/99/42/36/571994236.db2.gz QLCMYPCCKGFZPL-UHFFFAOYSA-N 0 0 186.189 2.627 10 0 AFAERN CCOCc1cc2ccccc2[nH]1 140007081 571994260 /nfs/dbraw/zinc/99/42/60/571994260.db2.gz UEJVQCDXOSGPIB-UHFFFAOYSA-N 0 0 175.231 2.704 10 0 AFAERN CCCC[C@H](C)[C@@H](NN)c1ccoc1 300863243 571994296 /nfs/dbraw/zinc/99/42/96/571994296.db2.gz CSVHYUFLMBBHCF-GXSJLCMTSA-N 0 0 196.294 2.610 10 0 AFAERN CCCC[C@@H](O)c1cc(C)ccn1 82643566 572080436 /nfs/dbraw/zinc/08/04/36/572080436.db2.gz FEHHFTWHKIVAJJ-LLVKDONJSA-N 0 0 179.263 2.614 10 0 AFAERN COCc1nc(C)cc2ccccc12 140034988 571992257 /nfs/dbraw/zinc/99/22/57/571992257.db2.gz HQZUNOIBYFABGY-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1ccc(C)nc1 82679914 572086126 /nfs/dbraw/zinc/08/61/26/572086126.db2.gz ANCLUNINMZNHBK-SKDRFNHKSA-N 0 0 193.290 2.860 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)CC1CC1 300869770 571995487 /nfs/dbraw/zinc/99/54/87/571995487.db2.gz PJXQSWLAUPPSNY-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)=C[C@H](O)[C@H](C)CC(C)C 300867706 571996325 /nfs/dbraw/zinc/99/63/25/571996325.db2.gz HGMFWUHUHBDITM-MNOVXSKESA-N 0 0 170.296 2.996 10 0 AFAERN CC(C)[C@@H]1OCc2ccccc2O1 39120043 571996647 /nfs/dbraw/zinc/99/66/47/571996647.db2.gz ASJUERIXVDVGDZ-LLVKDONJSA-N 0 0 178.231 2.578 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)CC1CC1 300869766 571996652 /nfs/dbraw/zinc/99/66/52/571996652.db2.gz PJXQSWLAUPPSNY-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CCCC[C@H](C)C(=O)COC(C)C 300868936 571996663 /nfs/dbraw/zinc/99/66/63/571996663.db2.gz DLFPVRIAXONGNB-JTQLQIEISA-N 0 0 186.295 2.807 10 0 AFAERN Cc1noc(-c2ccco2)c1C 39113134 571996709 /nfs/dbraw/zinc/99/67/09/571996709.db2.gz QOFLVWUIJSUONB-UHFFFAOYSA-N 0 0 163.176 2.551 10 0 AFAERN CCC(C)(C)C[C@@H]1CCC[C@H]1O 713182063 571996711 /nfs/dbraw/zinc/99/67/11/571996711.db2.gz IPNVWBGDCIDQET-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(C)(C)C[C@H]1CCC[C@@H]1O 713182065 571996714 /nfs/dbraw/zinc/99/67/14/571996714.db2.gz IPNVWBGDCIDQET-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@H](C)[C@H](O)c1cc[nH]c1 300866393 571996770 /nfs/dbraw/zinc/99/67/70/571996770.db2.gz DCUCRFDXWNUPFF-ONGXEEELSA-N 0 0 181.279 2.874 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)c1cc[nH]c1 300866391 571996803 /nfs/dbraw/zinc/99/68/03/571996803.db2.gz DCUCRFDXWNUPFF-MWLCHTKSSA-N 0 0 181.279 2.874 10 0 AFAERN CC(C)C[C@H](C)CNc1cnns1 300870281 571998023 /nfs/dbraw/zinc/99/80/23/571998023.db2.gz HMOWMKRZBFZHAX-QMMMGPOBSA-N 0 0 199.323 2.632 10 0 AFAERN CCC1(C)Oc2ccccc2O1 39253570 571998758 /nfs/dbraw/zinc/99/87/58/571998758.db2.gz AATQNQRLPHKUQY-UHFFFAOYSA-N 0 0 164.204 2.584 10 0 AFAERN CCOc1cc(C)cc(Cl)c1N 233769632 571998776 /nfs/dbraw/zinc/99/87/76/571998776.db2.gz ORJQCTOVGVWPOM-UHFFFAOYSA-N 0 0 185.654 2.629 10 0 AFAERN CC1CCC(OCC(=O)C2CC2)CC1 68901423 572004193 /nfs/dbraw/zinc/00/41/93/572004193.db2.gz MHLYQIMSUQLMDL-UHFFFAOYSA-N 0 0 196.290 2.561 10 0 AFAERN Cc1occc1SCC(=O)C1CC1 235810519 572000261 /nfs/dbraw/zinc/00/02/61/572000261.db2.gz QYAZUHMQZJAVID-UHFFFAOYSA-N 0 0 196.271 2.659 10 0 AFAERN CCC(C)(C)OC(=O)c1ccoc1 214812101 572002221 /nfs/dbraw/zinc/00/22/21/572002221.db2.gz XWYTZPVHBDVSIZ-UHFFFAOYSA-N 0 0 182.219 2.625 10 0 AFAERN CC(C)C[C@@H](C)CNc1cncnc1 300879514 572003070 /nfs/dbraw/zinc/00/30/70/572003070.db2.gz IRJDAZVKJAYBCP-SNVBAGLBSA-N 0 0 193.294 2.571 10 0 AFAERN CCCC[C@H](C)[C@H](C=C(C)C)NN 300939712 572111214 /nfs/dbraw/zinc/11/12/14/572111214.db2.gz NPTSRECTSWVTDY-QWRGUYRKSA-N 0 0 184.327 2.611 10 0 AFAERN CCOC(=O)[C@H](CC)[C@@H](C)CC 214811298 572003200 /nfs/dbraw/zinc/00/32/00/572003200.db2.gz JUOFQZPNNRPDEY-DTWKUNHWSA-N 0 0 172.268 2.622 10 0 AFAERN CCc1onc2cc(C(C)=O)ccc12 34581582 572003772 /nfs/dbraw/zinc/00/37/72/572003772.db2.gz OGUZRCDXKSMGMQ-UHFFFAOYSA-N 0 0 189.214 2.593 10 0 AFAERN COC(OC)c1c(C)cc(C)cc1C 34611607 572003776 /nfs/dbraw/zinc/00/37/76/572003776.db2.gz RWFGNWVNQFFQIX-UHFFFAOYSA-N 0 0 194.274 2.903 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)c1ccoc1 300880175 572005447 /nfs/dbraw/zinc/00/54/47/572005447.db2.gz ITIFLYSKULVMCR-ONGXEEELSA-N 0 0 182.263 2.995 10 0 AFAERN CC(C)CC[C@@H](C)Nc1ccncn1 68945173 572005873 /nfs/dbraw/zinc/00/58/73/572005873.db2.gz WLJNFJWCHALSRL-SNVBAGLBSA-N 0 0 193.294 2.713 10 0 AFAERN C[C@H]1CCCC[C@@H]1OCC(=O)C1CC1 68901393 572005925 /nfs/dbraw/zinc/00/59/25/572005925.db2.gz BQADONJPRCJBNX-CABZTGNLSA-N 0 0 196.290 2.561 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)c1ccoc1 300880173 572005977 /nfs/dbraw/zinc/00/59/77/572005977.db2.gz ITIFLYSKULVMCR-KOLCDFICSA-N 0 0 182.263 2.995 10 0 AFAERN CCC[N@H+](CC(=O)C(C)(C)C)C(C)C 37335195 572113464 /nfs/dbraw/zinc/11/34/64/572113464.db2.gz GKBKHKDIEJMFSD-UHFFFAOYSA-N 0 0 199.338 2.722 10 0 AFAERN CCCCCCOCC(=O)C1CC1 68902033 572005993 /nfs/dbraw/zinc/00/59/93/572005993.db2.gz XEXQXCWPFMTNDS-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCC/C=C\CC(=O)CC 149451128 572006004 /nfs/dbraw/zinc/00/60/04/572006004.db2.gz UWNFCYBQKWENLD-SREVYHEPSA-N 0 0 140.226 2.712 10 0 AFAERN Fc1ccc2c(c1)-n1cccc1CN2 76632881 572006051 /nfs/dbraw/zinc/00/60/51/572006051.db2.gz QFAYZKCOXZIUKO-UHFFFAOYSA-N 0 0 188.205 2.542 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)c1ccoc1 300880174 572006334 /nfs/dbraw/zinc/00/63/34/572006334.db2.gz ITIFLYSKULVMCR-MWLCHTKSSA-N 0 0 182.263 2.995 10 0 AFAERN CCCCS[C@H](C)CC(C)=O 82793859 572113488 /nfs/dbraw/zinc/11/34/88/572113488.db2.gz CTXGGXGHEZVGMA-SECBINFHSA-N 0 0 174.309 2.887 10 0 AFAERN C[C@H]1CCC[C@@H](OCC(=O)C2CC2)C1 68902076 572006377 /nfs/dbraw/zinc/00/63/77/572006377.db2.gz FYUBOJJMJOFWFH-GXSJLCMTSA-N 0 0 196.290 2.561 10 0 AFAERN CC(=O)C[C@H](C)OCc1ccccc1 14502492 572006414 /nfs/dbraw/zinc/00/64/14/572006414.db2.gz DAAXEYYCKRFXRA-NSHDSACASA-N 0 0 192.258 2.571 10 0 AFAERN CCCOC(=O)C(C)(C)C(C)(F)F 405908894 757221668 /nfs/dbraw/zinc/22/16/68/757221668.db2.gz FKMPXZQXYJYQSM-UHFFFAOYSA-N 0 0 194.221 2.621 10 0 AFAERN CCCOCC(=O)c1ccc(C)s1 37351101 572115600 /nfs/dbraw/zinc/11/56/00/572115600.db2.gz GHQHQIUTCVWISB-UHFFFAOYSA-N 0 0 198.287 2.666 10 0 AFAERN CC(=O)CCCO[C@@H]1CCCC[C@H]1C 37329506 572115608 /nfs/dbraw/zinc/11/56/08/572115608.db2.gz WXWDLODVUGNTLI-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)OC(=O)C(C)(C)C(C)(F)F 405941736 757229408 /nfs/dbraw/zinc/22/94/08/757229408.db2.gz ZUSQMWIKNAIPIC-UHFFFAOYSA-N 0 0 194.221 2.619 10 0 AFAERN CCCCC[C@@H](O)c1ccoc1 68979362 572009221 /nfs/dbraw/zinc/00/92/21/572009221.db2.gz VVLZGAZKBQMPHQ-SNVBAGLBSA-N 0 0 168.236 2.893 10 0 AFAERN CC(C)=CCc1ccc(O)cc1O 14590756 572009236 /nfs/dbraw/zinc/00/92/36/572009236.db2.gz YQAHXTTZHFQAJF-UHFFFAOYSA-N 0 0 178.231 2.607 10 0 AFAERN CC(C)=CCc1cc(O)cc(C)c1O 14592209 572010048 /nfs/dbraw/zinc/01/00/48/572010048.db2.gz BXFLLXVCBUJAIY-UHFFFAOYSA-N 0 0 192.258 2.915 10 0 AFAERN CCCC[C@@H](CC)n1nccc1N 68987968 572012590 /nfs/dbraw/zinc/01/25/90/572012590.db2.gz KFPOXJFOFZPNBF-SECBINFHSA-N 0 0 181.283 2.607 10 0 AFAERN CC[C@H](C)[C@@H](NN)[C@H]1CCCC1(C)C 300236275 572016143 /nfs/dbraw/zinc/01/61/43/572016143.db2.gz UPBOVPLFIBIWCI-HBNTYKKESA-N 0 0 198.354 2.691 10 0 AFAERN CCc1cccc(O[C@@H](C)C(C)=O)c1 35181656 572016403 /nfs/dbraw/zinc/01/64/03/572016403.db2.gz RWOMCNGQHJVEFQ-JTQLQIEISA-N 0 0 192.258 2.605 10 0 AFAERN CC(=O)COc1ccc(C(C)C)cc1 35181874 572016426 /nfs/dbraw/zinc/01/64/26/572016426.db2.gz HWDGGEWQYRYOOQ-UHFFFAOYSA-N 0 0 192.258 2.778 10 0 AFAERN Cc1ccc2c(n1)CCC[C@@H]2C 14723449 572016495 /nfs/dbraw/zinc/01/64/95/572016495.db2.gz CJDDOHPPRKLEKF-QMMMGPOBSA-N 0 0 161.248 2.830 10 0 AFAERN CNc1cccc(Cc2ccccn2)c1 234516324 572019937 /nfs/dbraw/zinc/01/99/37/572019937.db2.gz DILQKKYKOVGLKZ-UHFFFAOYSA-N 0 0 198.269 2.714 10 0 AFAERN CCO[C@](C)(C(C)=O)C1CCCCC1 687774520 572023379 /nfs/dbraw/zinc/02/33/79/572023379.db2.gz MLKNRDWMKAHHQF-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)C[C@@H](C)n1cccc1C=O 35431222 572024518 /nfs/dbraw/zinc/02/45/18/572024518.db2.gz IVVKSAJLGNZBQD-SNVBAGLBSA-N 0 0 179.263 2.908 10 0 AFAERN COC(C)(C)C1CCCCC1 33604989 572026151 /nfs/dbraw/zinc/02/61/51/572026151.db2.gz IBAJWKQKPIIFQU-UHFFFAOYSA-N 0 0 156.269 2.992 10 0 AFAERN CCC(=O)[C@]1(OC)CCC[C@H](C)CC1 687775201 572026158 /nfs/dbraw/zinc/02/61/58/572026158.db2.gz XUCZAVLCUCHFJN-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN C/C=C/COc1ccc([C@@H](C)O)cc1 35626421 572031405 /nfs/dbraw/zinc/03/14/05/572031405.db2.gz YKNWWQNKYCDAFW-HMDXOVGESA-N 0 0 192.258 2.695 10 0 AFAERN C[C@H]1CC[C@@H]([NH2+]CC(F)F)C[C@@H]1C 82846322 572154198 /nfs/dbraw/zinc/15/41/98/572154198.db2.gz RFRUVPLZSBIFOM-XHNCKOQMSA-N 0 0 191.265 2.666 10 0 AFAERN CCC[S@@](=O)Cc1ccc(C)cc1 526851471 572031424 /nfs/dbraw/zinc/03/14/24/572031424.db2.gz YYDRLFIAKDPOLD-CYBMUJFWSA-N 0 0 196.315 2.654 10 0 AFAERN CCCOC1(C(=O)CC)CC(C)C1 687776515 572031490 /nfs/dbraw/zinc/03/14/90/572031490.db2.gz SBIVGKJPUSBMBC-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)[C@@H]1CNc2cscc2N1 75591865 572031496 /nfs/dbraw/zinc/03/14/96/572031496.db2.gz UCRIBKJRGUAXNW-ZETCQYMHSA-N 0 0 182.292 2.610 10 0 AFAERN CCC(=O)[C@]1(OC)CC(C)(C)C[C@H]1C 687776239 572035095 /nfs/dbraw/zinc/03/50/95/572035095.db2.gz ACAYFMKRLZIJLK-SKDRFNHKSA-N 0 0 198.306 2.807 10 0 AFAERN CCCC[C@H](C)[C@H](NN)C(C)(C)C 300898013 572035106 /nfs/dbraw/zinc/03/51/06/572035106.db2.gz INMBOLBQALDRLR-UWVGGRQHSA-N 0 0 186.343 2.691 10 0 AFAERN CC(C)(C)CCCNn1cccc1 300904155 572039444 /nfs/dbraw/zinc/03/94/44/572039444.db2.gz REEKLLHWWXIUOL-UHFFFAOYSA-N 0 0 180.295 2.858 10 0 AFAERN CC(C)(C)CCCn1cnc(C=O)c1 300902622 572039827 /nfs/dbraw/zinc/03/98/27/572039827.db2.gz RADXQJBLHXTRPB-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)C1=COCCC1 300902612 572039833 /nfs/dbraw/zinc/03/98/33/572039833.db2.gz LBKKYZQZMJPBML-PWSUYJOCSA-N 0 0 198.306 2.724 10 0 AFAERN O[C@H]1CCC/C1=C\c1ccccc1 33846268 572039883 /nfs/dbraw/zinc/03/98/83/572039883.db2.gz OTWFRIUNWJAZES-ZKQHCESOSA-N 0 0 174.243 2.615 10 0 AFAERN CSCCC[C@H](O)CC1CCC1 402211839 572048466 /nfs/dbraw/zinc/04/84/66/572048466.db2.gz KASJRJOFZIAWKS-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CCc1snnc1-c1ccccc1 15779203 572050037 /nfs/dbraw/zinc/05/00/37/572050037.db2.gz DSWKBRRMQGFSNO-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN O=C1CC[C@@H]2C[C@@H]2c2ccccc21 34060746 572050041 /nfs/dbraw/zinc/05/00/41/572050041.db2.gz STWOICPNKNWVIU-KCJUWKMLSA-N 0 0 172.227 2.767 10 0 AFAERN Cc1cc(N)c2c(c1Cl)C[C@H](C)O2 34110486 572055644 /nfs/dbraw/zinc/05/56/44/572055644.db2.gz UOVYYQCOQMGNES-LURJTMIESA-N 0 0 197.665 2.554 10 0 AFAERN c1ccc(C2SCCCS2)nc1 34133310 572058057 /nfs/dbraw/zinc/05/80/57/572058057.db2.gz TXPFNZZSEXQEDY-UHFFFAOYSA-N 0 0 197.328 2.950 10 0 AFAERN CC[C@H](O)c1cc(C)cc(C)c1OC 71463606 572058061 /nfs/dbraw/zinc/05/80/61/572058061.db2.gz ORCOGHAMIIRJJG-NSHDSACASA-N 0 0 194.274 2.755 10 0 AFAERN Cc1c(F)ccc2c1CC[C@H](C)N2 34120539 572058427 /nfs/dbraw/zinc/05/84/27/572058427.db2.gz YTUDFSPYEQESOK-ZETCQYMHSA-N 0 0 179.238 2.881 10 0 AFAERN CC/C(C)=C/CC[C@@H](C)O 34179317 572062451 /nfs/dbraw/zinc/06/24/51/572062451.db2.gz WVAZKZJBTWKIOP-BNICOGTQSA-N 0 0 142.242 2.504 10 0 AFAERN CCC[C@H](C)CNc1c(C)n[nH]c1C 36734521 572062452 /nfs/dbraw/zinc/06/24/52/572062452.db2.gz BREFESJDOOWJFO-QMMMGPOBSA-N 0 0 195.310 2.875 10 0 AFAERN CC/C(C)=C/CC[C@H](C)O 34179318 572062468 /nfs/dbraw/zinc/06/24/68/572062468.db2.gz WVAZKZJBTWKIOP-ORZBULNSSA-N 0 0 142.242 2.504 10 0 AFAERN CC(C)Cc1c(C(C)(C)C)noc1N 43376019 572156738 /nfs/dbraw/zinc/15/67/38/572156738.db2.gz LWELCSFWNKBUDF-UHFFFAOYSA-N 0 0 196.294 2.753 10 0 AFAERN CC(C)(C)CCCC(=O)[C@@H](O)C1CC1 300925077 572067362 /nfs/dbraw/zinc/06/73/62/572067362.db2.gz UJBSLCLXFPMZHB-NSHDSACASA-N 0 0 198.306 2.543 10 0 AFAERN Cc1cc(C)c(Cl)nc1C 34247059 572067376 /nfs/dbraw/zinc/06/73/76/572067376.db2.gz MBRSIVVDKJMNCS-UHFFFAOYSA-N 0 0 155.628 2.660 10 0 AFAERN Cc1ccc(N2CCCCC2)cc1 34278664 572069255 /nfs/dbraw/zinc/06/92/55/572069255.db2.gz SEKVDGJLBQJSTO-UHFFFAOYSA-N 0 0 175.275 2.985 10 0 AFAERN C[C@H]1CC[C@H](C)[C@](O)(C(F)(F)F)C1 82861909 572157413 /nfs/dbraw/zinc/15/74/13/572157413.db2.gz BVZUCYNHZFIXMR-FXQIFTODSA-N 0 0 196.212 2.736 10 0 AFAERN COc1cc2c(cc1O)CC[C@@H](C)C2 34268698 572069275 /nfs/dbraw/zinc/06/92/75/572069275.db2.gz TVKPIDQKPZNCRY-MRVPVSSYSA-N 0 0 192.258 2.526 10 0 AFAERN C[C@H]1CCC[C@](N)(C(F)(F)F)[C@@H]1C 82862229 572157420 /nfs/dbraw/zinc/15/74/20/572157420.db2.gz UQEQWPGFCGOIES-XLPZGREQSA-N 0 0 195.228 2.702 10 0 AFAERN CC[C@](C)(O)C1=CCCCC1 34268648 572069406 /nfs/dbraw/zinc/06/94/06/572069406.db2.gz IDPSEGMKUXUVJZ-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN O=C1CCCC[C@@H]1c1ccc(O)cc1 34317514 572073013 /nfs/dbraw/zinc/07/30/13/572073013.db2.gz FWAHEVVMELQPIJ-LLVKDONJSA-N 0 0 190.242 2.619 10 0 AFAERN CCCN(CC)c1ccc(F)cc1N 37094496 572080449 /nfs/dbraw/zinc/08/04/49/572080449.db2.gz NGVQCMZOBGCBSE-UHFFFAOYSA-N 0 0 196.269 2.644 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1cc(C)ccn1 82643578 572080491 /nfs/dbraw/zinc/08/04/91/572080491.db2.gz IQYYUGWXCBGBNE-BXKDBHETSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1ccoc1 69946228 572164839 /nfs/dbraw/zinc/16/48/39/572164839.db2.gz HQJOHTXQTGPMPF-WCBMZHEXSA-N 0 0 168.236 2.749 10 0 AFAERN COc1cc(C)c2c(c1C)CCC2 34475191 572083425 /nfs/dbraw/zinc/08/34/25/572083425.db2.gz NNRCRNIQIDQIAB-UHFFFAOYSA-N 0 0 176.259 2.801 10 0 AFAERN CCCC[C@H](O)c1cnn(CCC)c1 82679148 572083429 /nfs/dbraw/zinc/08/34/29/572083429.db2.gz NBWYZFXATHSMHS-NSHDSACASA-N 0 0 196.294 2.517 10 0 AFAERN COc1cccc2c(O)ccc(C)c12 34454553 572083438 /nfs/dbraw/zinc/08/34/38/572083438.db2.gz MQTFBVBQVGXHLV-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CCC(CC)[C@H](O)c1cncc(F)c1 82676853 572083448 /nfs/dbraw/zinc/08/34/48/572083448.db2.gz NNPQCOAHZQWQAT-NSHDSACASA-N 0 0 197.253 2.690 10 0 AFAERN C/C=C/[C@@H](C)[C@@H](O)c1ccco1 34454936 572083472 /nfs/dbraw/zinc/08/34/72/572083472.db2.gz WBQMAUFTXIFWJL-AUYFGZFJSA-N 0 0 166.220 2.525 10 0 AFAERN CC(C)(C)OC(=O)Cc1cccs1 82671031 572083478 /nfs/dbraw/zinc/08/34/78/572083478.db2.gz RQTQBOHDZFBYFI-UHFFFAOYSA-N 0 0 198.287 2.632 10 0 AFAERN Cl/C=C/COC/C=C/Cl 34477110 572083971 /nfs/dbraw/zinc/08/39/71/572083971.db2.gz FIKDRSSZQXZDHK-ZPUQHVIOSA-N 0 0 167.035 2.508 10 0 AFAERN CCc1cccc(C=O)c1CC 34469581 572083976 /nfs/dbraw/zinc/08/39/76/572083976.db2.gz GCFXUDDVXNOPLM-UHFFFAOYSA-N 0 0 162.232 2.624 10 0 AFAERN CCC[C@@H](O)[C@H](C)c1ccccc1 82679690 572085281 /nfs/dbraw/zinc/08/52/81/572085281.db2.gz AEXSIHXBJLXGNW-ZYHUDNBSSA-N 0 0 178.275 2.951 10 0 AFAERN CCC[C@H](C)[C@H](O)CC(C)C 82679831 572085293 /nfs/dbraw/zinc/08/52/93/572085293.db2.gz VIHAZZPWGKHJQE-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1ccc(C)nc1 82679917 572085296 /nfs/dbraw/zinc/08/52/96/572085296.db2.gz ANCLUNINMZNHBK-JOYOIKCWSA-N 0 0 193.290 2.860 10 0 AFAERN C[C@@H]1CCC2=C[C@H]3CC[C@]21CC3=O 34479478 572085305 /nfs/dbraw/zinc/08/53/05/572085305.db2.gz SWFWRNUTFODIJL-KBVBSXBZSA-N 0 0 176.259 2.712 10 0 AFAERN Cc1cccc(-c2ccc(N)nc2C)c1 82730142 572085307 /nfs/dbraw/zinc/08/53/07/572085307.db2.gz UMTSPPVMHFCGKY-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC[C@@H](C)[C@@H](O)C1CCCC1 82679772 572085333 /nfs/dbraw/zinc/08/53/33/572085333.db2.gz MHNVIPVMQDJLQN-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC2(CCCCC2)[C@H]1O 34479193 572086165 /nfs/dbraw/zinc/08/61/65/572086165.db2.gz MUNPIPPAEJFQIA-ZJUUUORDSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)CCC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 69975424 572165334 /nfs/dbraw/zinc/16/53/34/572165334.db2.gz TXWQRGZHWDFQKZ-FOGDFJRCSA-N 0 0 196.290 2.559 10 0 AFAERN CC(C)C[C@@](C)(O)C1CCC1 18676923 572165336 /nfs/dbraw/zinc/16/53/36/572165336.db2.gz MEBIUCXFLQGZIF-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN O=C1CCCC[C@H]1c1ccc(O)cc1 34317513 572072934 /nfs/dbraw/zinc/07/29/34/572072934.db2.gz FWAHEVVMELQPIJ-NSHDSACASA-N 0 0 190.242 2.619 10 0 AFAERN CCN(c1ccccc1C=O)C(C)C 37082466 572087752 /nfs/dbraw/zinc/08/77/52/572087752.db2.gz YRUCKSZZTSTIIU-UHFFFAOYSA-N 0 0 191.274 2.734 10 0 AFAERN CCCCOCc1cccc(N)c1 37093162 572087773 /nfs/dbraw/zinc/08/77/73/572087773.db2.gz JGLKJOLUSQNPDR-UHFFFAOYSA-N 0 0 179.263 2.586 10 0 AFAERN CCCCS[C@@H]1CCC(=O)[C@H]1C 83000401 572170147 /nfs/dbraw/zinc/17/01/47/572170147.db2.gz OHUVZAMWQOQTEI-PSASIEDQSA-N 0 0 186.320 2.887 10 0 AFAERN CCC(=O)[C@@H](C)/C=C/C(C)C 34513851 572087867 /nfs/dbraw/zinc/08/78/67/572087867.db2.gz KLXJMMGTDBLJOT-UCUJLANTSA-N 0 0 154.253 2.814 10 0 AFAERN CC(C)(C)/C(=C/c1cccnc1)CO 34500852 572088154 /nfs/dbraw/zinc/08/81/54/572088154.db2.gz SFZBKHYEOGWBIA-YRNVUSSQSA-N 0 0 191.274 2.503 10 0 AFAERN O=Cc1cc(F)c2cccccc1-2 34514110 572088240 /nfs/dbraw/zinc/08/82/40/572088240.db2.gz CGOSWEXWQHLPDH-UHFFFAOYSA-N 0 0 174.174 2.743 10 0 AFAERN CCNc1cc2cccccc-2n1 34497624 572088263 /nfs/dbraw/zinc/08/82/63/572088263.db2.gz WWGDBZJRPUGYQX-UHFFFAOYSA-N 0 0 172.231 2.618 10 0 AFAERN CC(=O)c1cc2cccccc-2c1 34513948 572088285 /nfs/dbraw/zinc/08/82/85/572088285.db2.gz ZCAOSPBJAKKOFV-UHFFFAOYSA-N 0 0 170.211 2.994 10 0 AFAERN C/C=C/C(=O)NCCC(C)(C)CC 686205721 757303723 /nfs/dbraw/zinc/30/37/23/757303723.db2.gz YBMQLEPGOBSMIZ-FNORWQNLSA-N 0 0 183.295 2.505 10 0 AFAERN CCC(C)(C)CCNC(=O)C=C(C)C 686203423 757306668 /nfs/dbraw/zinc/30/66/68/757306668.db2.gz DRZZRFHRKPNKFS-UHFFFAOYSA-N 0 0 197.322 2.895 10 0 AFAERN CCCCCNc1[nH+]ccc(C)c1N 70062586 572175213 /nfs/dbraw/zinc/17/52/13/572175213.db2.gz SKYPYOFOCDATAB-UHFFFAOYSA-N 0 0 193.294 2.574 10 0 AFAERN C/C=C\C(=O)NCCC(C)(C)CC 686205720 757308222 /nfs/dbraw/zinc/30/82/22/757308222.db2.gz YBMQLEPGOBSMIZ-ALCCZGGFSA-N 0 0 183.295 2.505 10 0 AFAERN CC(C)[C@@H](O)C=C1CCCCC1 34558326 572092598 /nfs/dbraw/zinc/09/25/98/572092598.db2.gz IQFZXTRWSPLQMH-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN CCc1ccc2cccc(OC)c2n1 34559624 572092605 /nfs/dbraw/zinc/09/26/05/572092605.db2.gz MZFNUHASPHZVRQ-UHFFFAOYSA-N 0 0 187.242 2.806 10 0 AFAERN CCCC[C@@H]1NC(=O)c2ccccc21 34545965 572092638 /nfs/dbraw/zinc/09/26/38/572092638.db2.gz GMRHNUZCUUOQOX-NSHDSACASA-N 0 0 189.258 2.661 10 0 AFAERN CCOc1cc(C)c(C)cc1C(C)=O 36201083 572197712 /nfs/dbraw/zinc/19/77/12/572197712.db2.gz GWLNMXOBGLFPHO-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN O=Cc1ccc2sc(F)cc2c1 34568340 572094940 /nfs/dbraw/zinc/09/49/40/572094940.db2.gz SNHZPHLIRJNRKV-UHFFFAOYSA-N 0 0 180.203 2.853 10 0 AFAERN O=C1CC[C@H]2CC3=C(CCC3)[C@H]2C1 34567632 572094972 /nfs/dbraw/zinc/09/49/72/572094972.db2.gz RDGAVLFEBIVVDP-CABZTGNLSA-N 0 0 176.259 2.856 10 0 AFAERN COCc1cc(Cl)nc(Cl)c1 34580961 572095039 /nfs/dbraw/zinc/09/50/39/572095039.db2.gz RHZRJGAFIQFUEJ-UHFFFAOYSA-N 0 0 192.045 2.535 10 0 AFAERN CCCCCCN1C(=O)CC[C@H]1C 114344522 572100507 /nfs/dbraw/zinc/10/05/07/572100507.db2.gz DYTQEOZTVAIFFR-SNVBAGLBSA-N 0 0 183.295 2.578 10 0 AFAERN CC(C)=C[C@@H]([C@H](C)O)C(C)(C)C 34599250 572100522 /nfs/dbraw/zinc/10/05/22/572100522.db2.gz FKXMJKWHEVADJM-UWVGGRQHSA-N 0 0 170.296 2.996 10 0 AFAERN CC[C@@]1(C)OCc2cc(O)ccc21 34599370 572100540 /nfs/dbraw/zinc/10/05/40/572100540.db2.gz VAHATJFTELNZFQ-LLVKDONJSA-N 0 0 178.231 2.548 10 0 AFAERN CCCCCCN1C(=O)CC[C@@H]1C 114344520 572100552 /nfs/dbraw/zinc/10/05/52/572100552.db2.gz DYTQEOZTVAIFFR-JTQLQIEISA-N 0 0 183.295 2.578 10 0 AFAERN C/C=C/C=C/[C@@H](O)[C@@H](C)CC 34610141 572100561 /nfs/dbraw/zinc/10/05/61/572100561.db2.gz TUWPWZZXPAPDIJ-SLHJZOSWSA-N 0 0 154.253 2.526 10 0 AFAERN O[C@H](CC1=CCCCC1)C(F)(F)F 34599640 572101297 /nfs/dbraw/zinc/10/12/97/572101297.db2.gz FQZFTHCLGPTDCN-MRVPVSSYSA-N 0 0 194.196 2.800 10 0 AFAERN Cc1ccc2c(c1)NCCCCO2 34612069 572101315 /nfs/dbraw/zinc/10/13/15/572101315.db2.gz IMEWQZMVRHMHKJ-UHFFFAOYSA-N 0 0 177.247 2.580 10 0 AFAERN c1ccc([C@H]2CCS2)cc1 34599035 572101326 /nfs/dbraw/zinc/10/13/26/572101326.db2.gz AGFRDTYHBGSATR-SECBINFHSA-N 0 0 150.246 2.865 10 0 AFAERN CC[C@]1(C)OCc2cc(O)ccc21 34599371 572101368 /nfs/dbraw/zinc/10/13/68/572101368.db2.gz VAHATJFTELNZFQ-NSHDSACASA-N 0 0 178.231 2.548 10 0 AFAERN Cc1cc(C)cc(CC[C@H](C)CO)c1 82764793 572103285 /nfs/dbraw/zinc/10/32/85/572103285.db2.gz QZSIHCCVUGAJNB-JTQLQIEISA-N 0 0 192.302 2.864 10 0 AFAERN Cc1cccc(CC[C@@H](C)CO)c1 82764531 572103302 /nfs/dbraw/zinc/10/33/02/572103302.db2.gz CMCXXJZXSVFCOB-LLVKDONJSA-N 0 0 178.275 2.556 10 0 AFAERN Cc1ccccc1CC[C@@H](C)CO 82764752 572103379 /nfs/dbraw/zinc/10/33/79/572103379.db2.gz ZCGCYLGVPDRCKY-SNVBAGLBSA-N 0 0 178.275 2.556 10 0 AFAERN CC[C@H](C)CN(C)c1cccc(N)c1 37172805 572103388 /nfs/dbraw/zinc/10/33/88/572103388.db2.gz XPZDMCRWFSGSDG-JTQLQIEISA-N 0 0 192.306 2.751 10 0 AFAERN COCC(=O)CC[C@@H](C)CC(C)C 300935415 572103410 /nfs/dbraw/zinc/10/34/10/572103410.db2.gz OEBQWFZMAMNIGE-SNVBAGLBSA-N 0 0 186.295 2.664 10 0 AFAERN CCC(C)(C)[C@H](CO)C(C)C 17558849 572108219 /nfs/dbraw/zinc/10/82/19/572108219.db2.gz DQMAJHOLNYJQPK-SECBINFHSA-N 0 0 158.285 2.687 10 0 AFAERN C[C@@H]1C[C@H]1c1nc2ccc(N)cc2o1 34940028 572113516 /nfs/dbraw/zinc/11/35/16/572113516.db2.gz CXSSSICQHNILDM-HTRCEHHLSA-N 0 0 188.230 2.533 10 0 AFAERN CC(=O)C[C@@H](C)Oc1cccc(F)c1 82793111 572113532 /nfs/dbraw/zinc/11/35/32/572113532.db2.gz RRTDZRZIFKURBL-SECBINFHSA-N 0 0 196.221 2.572 10 0 AFAERN CC(=O)C[C@H](C)OCC1CCCCC1 82793685 572113534 /nfs/dbraw/zinc/11/35/34/572113534.db2.gz OINXHWQKNHRWCK-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN CCCNC(=O)C[C@@H](C)C(C)(C)C 69626688 572120897 /nfs/dbraw/zinc/12/08/97/572120897.db2.gz KCRHNIQYTNQAPU-SECBINFHSA-N 0 0 185.311 2.585 10 0 AFAERN CCC[C@H](C[C@H](C)CC(C)C)NN 300950923 572128919 /nfs/dbraw/zinc/12/89/19/572128919.db2.gz PRWGMYMTTPIZFU-GHMZBOCLSA-N 0 0 186.343 2.691 10 0 AFAERN CCC[C@@H](C)[C@@]1(CO)C[C@@H]2C[C@@H]2C1 300348623 572128949 /nfs/dbraw/zinc/12/89/49/572128949.db2.gz OPSSUGQTIUCAEC-WISYIIOYSA-N 0 0 182.307 2.831 10 0 AFAERN CCCC[C@H](O)c1sc(C)nc1C 300348213 572129044 /nfs/dbraw/zinc/12/90/44/572129044.db2.gz VSPIQFCWDPHMRU-VIFPVBQESA-N 0 0 199.319 2.984 10 0 AFAERN CCCC(=O)CCOc1ccccc1 37463927 572132423 /nfs/dbraw/zinc/13/24/23/572132423.db2.gz SZRLPSQXWJOFCV-UHFFFAOYSA-N 0 0 192.258 2.825 10 0 AFAERN C[C@H]1CC[C@@](N)(C(F)(F)F)C[C@@H]1C 82839392 572149980 /nfs/dbraw/zinc/14/99/80/572149980.db2.gz BMZMOUKOLPLRBJ-FXQIFTODSA-N 0 0 195.228 2.702 10 0 AFAERN Cc1ccc(C)c(-c2cccnc2N)c1 69841387 572149985 /nfs/dbraw/zinc/14/99/85/572149985.db2.gz PIZZNIFIJGLJQE-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(=O)CCO[C@H]1CC[C@H](C)[C@@H](C)C1 82840954 572150005 /nfs/dbraw/zinc/15/00/05/572150005.db2.gz XVNAPMMBKPSNGR-NHCYSSNCSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H](C)c1[nH]nc(N)c1CC(C)C 43375392 572156062 /nfs/dbraw/zinc/15/60/62/572156062.db2.gz ZASDGYHWSWVISG-MRVPVSSYSA-N 0 0 195.310 2.704 10 0 AFAERN CCCOC(=O)N[C@@](C)(CC)C1CC1 691525536 757362954 /nfs/dbraw/zinc/36/29/54/757362954.db2.gz VHENQUQNBFRCFL-NSHDSACASA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@](C)(CO)CCC(C)C 85039378 572628363 /nfs/dbraw/zinc/62/83/63/572628363.db2.gz BXXFUDLHJKLLDU-JTQLQIEISA-N 0 0 158.285 2.831 10 0 AFAERN CC[C@@H](CC(C)C)c1cc(N)n(C)n1 308087333 572660412 /nfs/dbraw/zinc/66/04/12/572660412.db2.gz XYSLDKDWILFDSF-VIFPVBQESA-N 0 0 195.310 2.542 10 0 AFAERN C[C@H]1CCC[C@@](O)(c2ccco2)[C@@H]1C 82861177 572157436 /nfs/dbraw/zinc/15/74/36/572157436.db2.gz GQHQQLQSZNVIEI-UMNHJUIQSA-N 0 0 194.274 2.923 10 0 AFAERN CC(C)[C@]1(O)C[C@@H](C)CC[C@@H]1C 82861507 572157440 /nfs/dbraw/zinc/15/74/40/572157440.db2.gz ZCJPEEJNMLPVLP-GARJFASQSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@@]1(O)CC[C@H](C)C[C@@H]1C 82861355 572158066 /nfs/dbraw/zinc/15/80/66/572158066.db2.gz VKXPQZYOPZRMLO-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@]1(C)CC(=O)N[C@@H]1CC(C)C 85137203 572674656 /nfs/dbraw/zinc/67/46/56/572674656.db2.gz SKRHJZMAMOHSFB-ZYHUDNBSSA-N 0 0 197.322 2.727 10 0 AFAERN c1cn(C[C@@H]2CC3CCC2CC3)cn1 691774271 757363548 /nfs/dbraw/zinc/36/35/48/757363548.db2.gz GKGQQGOMCOKULZ-MCIGGMRASA-N 0 0 190.290 2.709 10 0 AFAERN CC[C@](C)(NC(=O)C=C(C)C)C1CC1 691611754 757365093 /nfs/dbraw/zinc/36/50/93/757365093.db2.gz BFKIAJGZSUOELU-LBPRGKRZSA-N 0 0 195.306 2.648 10 0 AFAERN CCCOC(=O)N[C@](C)(CC)C1CC1 691525534 757366226 /nfs/dbraw/zinc/36/62/26/757366226.db2.gz VHENQUQNBFRCFL-LLVKDONJSA-N 0 0 199.294 2.701 10 0 AFAERN c1cn(C[C@H]2CC3CCC2CC3)cn1 691774270 757367177 /nfs/dbraw/zinc/36/71/77/757367177.db2.gz GKGQQGOMCOKULZ-HTAVTVPLSA-N 0 0 190.290 2.709 10 0 AFAERN CC[C@@](C)(NC(=O)C=C(C)C)C1CC1 691611749 757368099 /nfs/dbraw/zinc/36/80/99/757368099.db2.gz BFKIAJGZSUOELU-GFCCVEGCSA-N 0 0 195.306 2.648 10 0 AFAERN CC[C@H]1NC(=O)C[C@]1(C)CCC(C)C 85136941 572676410 /nfs/dbraw/zinc/67/64/10/572676410.db2.gz SZLXYUAQGJIMQA-PWSUYJOCSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1cccc(-c2cc(C)cnc2N)c1 69943154 572164110 /nfs/dbraw/zinc/16/41/10/572164110.db2.gz JFPJPPBRIHQZJJ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC[C@@H](CC)Nc1nncs1 69966601 572164153 /nfs/dbraw/zinc/16/41/53/572164153.db2.gz AGLAKTGFSBNAIN-SSDOTTSWSA-N 0 0 185.296 2.529 10 0 AFAERN CCCOc1c(C=O)cccc1CC 692091011 757371430 /nfs/dbraw/zinc/37/14/30/757371430.db2.gz GXSWXJCFFOLRMV-UHFFFAOYSA-N 0 0 192.258 2.850 10 0 AFAERN CSCCC(=O)[C@@H](C)C(C)C 69984288 572165361 /nfs/dbraw/zinc/16/53/61/572165361.db2.gz YPUXQQTVLLIIEK-QMMMGPOBSA-N 0 0 174.309 2.601 10 0 AFAERN CCCCCC(=O)[C@H]1CCSC1 69983488 572165388 /nfs/dbraw/zinc/16/53/88/572165388.db2.gz FVSFGVXLCCXLMY-VIFPVBQESA-N 0 0 186.320 2.889 10 0 AFAERN CSCC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 69984659 572165396 /nfs/dbraw/zinc/16/53/96/572165396.db2.gz IDNPEGANWPBDSU-IVZWLZJFSA-N 0 0 198.331 2.745 10 0 AFAERN CCC[C@@H](C)C(=O)[C@H]1CCCS1 69985262 572166287 /nfs/dbraw/zinc/16/62/87/572166287.db2.gz HEWRSUZYJNRNMQ-RKDXNWHRSA-N 0 0 186.320 2.887 10 0 AFAERN CCC[C@H](C)C(=O)[C@@H]1CCCS1 69985260 572166292 /nfs/dbraw/zinc/16/62/92/572166292.db2.gz HEWRSUZYJNRNMQ-IUCAKERBSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)C[C@](C)(O)C1CCC1 18676925 572166298 /nfs/dbraw/zinc/16/62/98/572166298.db2.gz MEBIUCXFLQGZIF-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@H](C)C(=O)CCSC 69984440 572166327 /nfs/dbraw/zinc/16/63/27/572166327.db2.gz XAKUAYPRCNITMH-QMMMGPOBSA-N 0 0 174.309 2.745 10 0 AFAERN CSCCC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 69984356 572166413 /nfs/dbraw/zinc/16/64/13/572166413.db2.gz NPEVTPNHBIMFMJ-AEJSXWLSSA-N 0 0 198.331 2.745 10 0 AFAERN CCc1ccc([C@H](NC)C(F)F)cc1 87687399 572678938 /nfs/dbraw/zinc/67/89/38/572678938.db2.gz VKVRDIDLGUTDCN-JTQLQIEISA-N 0 0 199.244 2.775 10 0 AFAERN CCCCC[C@@H]1CC[C@H](O)[C@@H]1C 83036863 572187249 /nfs/dbraw/zinc/18/72/49/572187249.db2.gz WZVSABFEPDJUOJ-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCC[C@](C)(O)C(F)F 87687290 572678957 /nfs/dbraw/zinc/67/89/57/572678957.db2.gz YTEARRGJOUOGBR-QMMMGPOBSA-N 0 0 166.211 2.583 10 0 AFAERN CC(C)OC(=O)[C@@]12CCCC[C@@H]1C2 693142135 757385030 /nfs/dbraw/zinc/38/50/30/757385030.db2.gz BHNWYDIGKUDXBO-MWLCHTKSSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)OC(=O)[C@]12CCCC[C@H]1C2 693142138 757385264 /nfs/dbraw/zinc/38/52/64/757385264.db2.gz BHNWYDIGKUDXBO-ONGXEEELSA-N 0 0 182.263 2.518 10 0 AFAERN CCCOC(=O)[C@@]12CCCC[C@@H]1C2 693144026 757388459 /nfs/dbraw/zinc/38/84/59/757388459.db2.gz GTMANSSYEQHKFL-MWLCHTKSSA-N 0 0 182.263 2.520 10 0 AFAERN CCCOC(=O)[C@]12CCCC[C@H]1C2 693144028 757388643 /nfs/dbraw/zinc/38/86/43/757388643.db2.gz GTMANSSYEQHKFL-ONGXEEELSA-N 0 0 182.263 2.520 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1[C@@H](C)CC(C)C 300972662 572195416 /nfs/dbraw/zinc/19/54/16/572195416.db2.gz SHGRMDQZYLYADT-GDPRMGEGSA-N 0 0 168.280 2.894 10 0 AFAERN CCOc1cc(C)c([C@H](C)O)cc1C 36156975 572195448 /nfs/dbraw/zinc/19/54/48/572195448.db2.gz ZSEWOCLGQXBIQE-JTQLQIEISA-N 0 0 194.274 2.755 10 0 AFAERN CCCCC[C@@H](O)C1CCC1 83120560 572197253 /nfs/dbraw/zinc/19/72/53/572197253.db2.gz LAPCNLUTCRSFJD-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CCC(=O)c1cc(OC)ccc1C 36181746 572197728 /nfs/dbraw/zinc/19/77/28/572197728.db2.gz RCYOSMAUPFNMJS-UHFFFAOYSA-N 0 0 178.231 2.596 10 0 AFAERN CC(C)=CCC[C@@H](O)C1CC1 71007983 572778739 /nfs/dbraw/zinc/77/87/39/572778739.db2.gz DIZDSBDDMANXOL-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN COC(=O)CC(C)(C)CC(F)(F)F 693998182 757397028 /nfs/dbraw/zinc/39/70/28/757397028.db2.gz VFIVGLOEQKOHTE-UHFFFAOYSA-N 0 0 198.184 2.528 10 0 AFAERN CCC(CC)[S@@](=O)CCC(C)C 393353796 572207266 /nfs/dbraw/zinc/20/72/66/572207266.db2.gz FDZBRBXYOSDFJO-LBPRGKRZSA-N 0 0 190.352 2.970 10 0 AFAERN CCC(C)(C)C[C@@H](O)[C@H]1CC12CC2 713229126 572207283 /nfs/dbraw/zinc/20/72/83/572207283.db2.gz LXEZRSCTIORYRG-NXEZZACHSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccc(C[C@@H](C)[C@H](C)O)cc1C 43658775 572207293 /nfs/dbraw/zinc/20/72/93/572207293.db2.gz RWXUXDSDYIZFKH-NEPJUHHUSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1ccc2c(c1C)NC[C@@H]2C 19948119 572207309 /nfs/dbraw/zinc/20/73/09/572207309.db2.gz SPYIOIIQOZAWGP-QMMMGPOBSA-N 0 0 161.248 2.832 10 0 AFAERN CCC(CC)[S@](=O)CCC(C)C 393353795 572207331 /nfs/dbraw/zinc/20/73/31/572207331.db2.gz FDZBRBXYOSDFJO-GFCCVEGCSA-N 0 0 190.352 2.970 10 0 AFAERN CCOC(=O)CC(C)(C)CC(F)F 693989131 757398625 /nfs/dbraw/zinc/39/86/25/757398625.db2.gz XWHITZOURIUHCT-UHFFFAOYSA-N 0 0 194.221 2.621 10 0 AFAERN C/C=C/C[C@@H]1C[C@H](C)CC[C@@H]1O 43660041 572208169 /nfs/dbraw/zinc/20/81/69/572208169.db2.gz NREBESWCPHZOEH-PDHKFVRPSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H]1CCCc2ccccc2[C@@H]1O 43659872 572208655 /nfs/dbraw/zinc/20/86/55/572208655.db2.gz MXLIJTONSHGLJD-BXKDBHETSA-N 0 0 176.259 2.692 10 0 AFAERN c1ccc2c(c1)CC[C@H]1CCCN21 36436956 572208665 /nfs/dbraw/zinc/20/86/65/572208665.db2.gz KUHKFJPHPOPHDT-LLVKDONJSA-N 0 0 173.259 2.602 10 0 AFAERN Cc1ccc(C[C@H](C)[C@@H](C)O)cc1C 43658774 572208667 /nfs/dbraw/zinc/20/86/67/572208667.db2.gz RWXUXDSDYIZFKH-NWDGAFQWSA-N 0 0 192.302 2.863 10 0 AFAERN CCOC(=O)NC(CC)(CC)CC 83388797 572208682 /nfs/dbraw/zinc/20/86/82/572208682.db2.gz ZDEGMPVNEGBHCH-UHFFFAOYSA-N 0 0 187.283 2.701 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@H]1C[C@@H]1C 713229105 572208696 /nfs/dbraw/zinc/20/86/96/572208696.db2.gz LUKPRDWJMXXFSK-GUBZILKMSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O 43661225 572208759 /nfs/dbraw/zinc/20/87/59/572208759.db2.gz RAHOWIIWWZHXET-AEJSXWLSSA-N 0 0 170.296 2.830 10 0 AFAERN CCCCCNc1cncc(F)c1 300979599 572209107 /nfs/dbraw/zinc/20/91/07/572209107.db2.gz RQPSEVSYASWLCB-UHFFFAOYSA-N 0 0 182.242 2.823 10 0 AFAERN Cc1ccc([C@@H](O)/C(F)=C\F)cc1 308173418 572902334 /nfs/dbraw/zinc/90/23/34/572902334.db2.gz XYBKUPKJFVELHW-OLKPEBQYSA-N 0 0 184.185 2.809 10 0 AFAERN CC(C)c1cnc(C(F)(F)F)nc1 75838993 572903607 /nfs/dbraw/zinc/90/36/07/572903607.db2.gz VFFGJILUTSLYST-UHFFFAOYSA-N 0 0 190.168 2.619 10 0 AFAERN c1cc(C2CCCC2)n(C2CC2)n1 75840960 572903610 /nfs/dbraw/zinc/90/36/10/572903610.db2.gz BUPBATOWBMJAOS-UHFFFAOYSA-N 0 0 176.263 2.876 10 0 AFAERN CCOCc1ccc2c(c1)CCCN2 20247918 572209991 /nfs/dbraw/zinc/20/99/91/572209991.db2.gz DKVNAPZXIGEKMG-UHFFFAOYSA-N 0 0 191.274 2.581 10 0 AFAERN COC[C@H](C(C)C)n1c(C)ccc1C 83400512 572210833 /nfs/dbraw/zinc/21/08/33/572210833.db2.gz YYRJSKVDONNVPW-GFCCVEGCSA-N 0 0 195.306 2.948 10 0 AFAERN CC[C@H](O)[C@H]1C[C@@H]1c1ccccc1 36458985 572210859 /nfs/dbraw/zinc/21/08/59/572210859.db2.gz ILHPBYVXKVMIMM-WOPDTQHZSA-N 0 0 176.259 2.561 10 0 AFAERN CC1=CC(C)(C)C[C@@H](O)CC1 36447942 572210967 /nfs/dbraw/zinc/21/09/67/572210967.db2.gz SKJNVRHZTQWYGM-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN CCC(C)(C)[C@@H](C)NC(=O)C=C(C)C 695166199 757409651 /nfs/dbraw/zinc/40/96/51/757409651.db2.gz DNBNNGKECQYSDL-SNVBAGLBSA-N 0 0 197.322 2.894 10 0 AFAERN Cc1cccc(-c2ccc(N)cn2)c1C 41209432 572211292 /nfs/dbraw/zinc/21/12/92/572211292.db2.gz CEUWAMWAIYRRIU-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCC(=O)N[C@H]1CCCC2(CC2)C1 695595146 757410933 /nfs/dbraw/zinc/41/09/33/757410933.db2.gz DIEFJQGFXSXJQK-JTQLQIEISA-N 0 0 195.306 2.626 10 0 AFAERN CC(C)CCOCCC(=O)[C@H]1C[C@@H]1C 687795191 572211347 /nfs/dbraw/zinc/21/13/47/572211347.db2.gz FKMDPBCHALATQN-QWRGUYRKSA-N 0 0 198.306 2.664 10 0 AFAERN CCCCCC(=O)CCCOC 83439062 572213996 /nfs/dbraw/zinc/21/39/96/572213996.db2.gz PERVEIWPIBYNHD-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN CCC[C@@H](CO)c1ccc(C)cc1 41200500 572214001 /nfs/dbraw/zinc/21/40/01/572214001.db2.gz KEOFQRSUDRRBOI-LBPRGKRZSA-N 0 0 178.275 2.871 10 0 AFAERN CCCC(=O)N[C@@H]1CCCC2(CC2)C1 695595147 757413270 /nfs/dbraw/zinc/41/32/70/757413270.db2.gz DIEFJQGFXSXJQK-SNVBAGLBSA-N 0 0 195.306 2.626 10 0 AFAERN CCC(C)(C)[C@H](C)NC(=O)C=C(C)C 695166198 757413553 /nfs/dbraw/zinc/41/35/53/757413553.db2.gz DNBNNGKECQYSDL-JTQLQIEISA-N 0 0 197.322 2.894 10 0 AFAERN O[C@@H](CSc1ccccc1)C1CC1 83501503 572233215 /nfs/dbraw/zinc/23/32/15/572233215.db2.gz JRLWJAASNVBSCZ-NSHDSACASA-N 0 0 194.299 2.550 10 0 AFAERN CC[C@@H](C)SC[C@H](O)C(C)(C)C 83498841 572233219 /nfs/dbraw/zinc/23/32/19/572233219.db2.gz WJUFTPVCQWWDRI-BDAKNGLRSA-N 0 0 190.352 2.925 10 0 AFAERN CCOC(=N)CS[C@@H](C)CC 83499864 572233228 /nfs/dbraw/zinc/23/32/28/572233228.db2.gz PDQNCOMAIKQTBT-ZETCQYMHSA-N 0 0 175.297 2.532 10 0 AFAERN CCC[C@H](O)CS[C@H](C)CC 83498743 572233251 /nfs/dbraw/zinc/23/32/51/572233251.db2.gz JUWOKJTXAQINJE-BDAKNGLRSA-N 0 0 176.325 2.679 10 0 AFAERN CC[C@H](C)SC[C@@H](O)CC1CC1 83498896 572233258 /nfs/dbraw/zinc/23/32/58/572233258.db2.gz DLKSAACXRNKRKY-WPRPVWTQSA-N 0 0 188.336 2.679 10 0 AFAERN CCC[C@H](C)c1cnc([C@@H](C)N)o1 83554636 572333222 /nfs/dbraw/zinc/33/32/22/572333222.db2.gz NYUITSIOSTUGRG-JGVFFNPUSA-N 0 0 182.267 2.598 10 0 AFAERN CC(C)O[C@H](C)Oc1ccccc1O 238202815 572333265 /nfs/dbraw/zinc/33/32/65/572333265.db2.gz OIBCNKOCVAUFOF-VIFPVBQESA-N 0 0 196.246 2.542 10 0 AFAERN CCCCCNc1ncnc(F)c1C 696381444 757429971 /nfs/dbraw/zinc/42/99/71/757429971.db2.gz RBZLFUFECIZUOZ-UHFFFAOYSA-N 0 0 197.257 2.526 10 0 AFAERN O[C@@H](C/C=C/Cl)Cc1ccccc1 238692554 572387899 /nfs/dbraw/zinc/38/78/99/572387899.db2.gz JYVFLBFYPFPNLK-VUQUXZKVSA-N 0 0 196.677 2.733 10 0 AFAERN CC[C@H](C)[C@H](CO)c1ccc(F)cc1 87176585 572388740 /nfs/dbraw/zinc/38/87/40/572388740.db2.gz XJHPFSKPUUWFEE-CABZTGNLSA-N 0 0 196.265 2.948 10 0 AFAERN C[C@@H](NC1CC2(CCC2)C1)C(F)F 697664093 757432902 /nfs/dbraw/zinc/43/29/02/757432902.db2.gz HDUZITAXCOSUSG-SSDOTTSWSA-N 0 0 189.249 2.562 10 0 AFAERN CCC(F)(F)CNc1nccs1 697662512 757433265 /nfs/dbraw/zinc/43/32/65/757433265.db2.gz SEJUFQKRCPWSOL-UHFFFAOYSA-N 0 0 192.234 2.600 10 0 AFAERN C[C@H](NC1CC2(CCC2)C1)C(F)F 697664094 757433533 /nfs/dbraw/zinc/43/35/33/757433533.db2.gz HDUZITAXCOSUSG-ZETCQYMHSA-N 0 0 189.249 2.562 10 0 AFAERN CCCC[C@@H](O)c1cnccc1Cl 238794451 572417088 /nfs/dbraw/zinc/41/70/88/572417088.db2.gz ZOIRTYJADOCVAW-SNVBAGLBSA-N 0 0 199.681 2.959 10 0 AFAERN CC(=O)NC(C)(C)CCCC(C)C 238138892 572941362 /nfs/dbraw/zinc/94/13/62/572941362.db2.gz FYMCZAKNTNQUTK-UHFFFAOYSA-N 0 0 185.311 2.727 10 0 AFAERN CCCCC[C@H](O)C(C)(C)C(C)=O 238236813 572417126 /nfs/dbraw/zinc/41/71/26/572417126.db2.gz YDWCNWIUGMTTTI-JTQLQIEISA-N 0 0 186.295 2.543 10 0 AFAERN C=C/C=C/CCn1cccc1C(C)=O 713705969 572417136 /nfs/dbraw/zinc/41/71/36/572417136.db2.gz ZWKKTSFUZROCGJ-SNAWJCMRSA-N 0 0 189.258 2.823 10 0 AFAERN C=C/C(=C\CCC=C(C)C)CO 238141659 572946902 /nfs/dbraw/zinc/94/69/02/572946902.db2.gz ITYJMJORXHKJAO-DHZHZOJOSA-N 0 0 166.264 2.838 10 0 AFAERN C[C@@H](c1ccccc1)c1ncccc1N 74237594 572442836 /nfs/dbraw/zinc/44/28/36/572442836.db2.gz OPGBTVQYRQJAPA-JTQLQIEISA-N 0 0 198.269 2.816 10 0 AFAERN Nc1cccnc1SCCC1CC1 83926891 572460906 /nfs/dbraw/zinc/46/09/06/572460906.db2.gz WRDOMGWYSFPBIL-UHFFFAOYSA-N 0 0 194.303 2.556 10 0 AFAERN Cc1nc2cc(N)sc2n1C(C)C 74243101 572460963 /nfs/dbraw/zinc/46/09/63/572460963.db2.gz LTTHAYAYFJHCBX-UHFFFAOYSA-N 0 0 195.291 2.569 10 0 AFAERN CC[C@@H]1CN(C)c2sc(C=O)cc21 74243274 572460966 /nfs/dbraw/zinc/46/09/66/572460966.db2.gz WAAWGDJOCCVUAH-SSDOTTSWSA-N 0 0 195.287 2.504 10 0 AFAERN CCO[C@@H](CC)CNc1ccccc1 238255795 572460994 /nfs/dbraw/zinc/46/09/94/572460994.db2.gz IUCANWDJKQTMSD-LBPRGKRZSA-N 0 0 193.290 2.914 10 0 AFAERN Cc1cccc([C@H]2CC[C@@H](O)C2)c1 58518983 572952746 /nfs/dbraw/zinc/95/27/46/572952746.db2.gz UIBOAOGUWMSHLY-NWDGAFQWSA-N 0 0 176.259 2.623 10 0 AFAERN CCCCc1ccc(C=O)c(OC)c1 238263333 572483343 /nfs/dbraw/zinc/48/33/43/572483343.db2.gz RFUPDKPXTXLMOB-UHFFFAOYSA-N 0 0 192.258 2.850 10 0 AFAERN CC(C)OCC(=O)[C@H]1CCC[C@@H](C)C1 86521476 572952758 /nfs/dbraw/zinc/95/27/58/572952758.db2.gz UOLHNZGMPSGJDT-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN C/C(=C/[C@@H](O)CC(C)C)C(C)C 238144328 572952759 /nfs/dbraw/zinc/95/27/59/572952759.db2.gz GZFYOEAYYFCACH-BRNRAETOSA-N 0 0 170.296 2.996 10 0 AFAERN Cc1ccc(-c2nncs2)cc1 141347256 572483367 /nfs/dbraw/zinc/48/33/67/572483367.db2.gz WNBUANLMQNFDKH-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1onc(-c2sccc2N)c1C 74246357 572486629 /nfs/dbraw/zinc/48/66/29/572486629.db2.gz BRUPDILAIOHIGY-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN Cc1cocc1-c1nc(C)c(N)s1 74246395 572486649 /nfs/dbraw/zinc/48/66/49/572486649.db2.gz IIZRHVFONRYDJM-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CC/C=C(/CCC)[C@@H](O)CC 238266373 572490261 /nfs/dbraw/zinc/49/02/61/572490261.db2.gz XWQJJMLOURMSMA-RNKPRXRFSA-N 0 0 156.269 2.894 10 0 AFAERN COC[C@@H](Nc1ccsc1)C1CC1 87481633 572490288 /nfs/dbraw/zinc/49/02/88/572490288.db2.gz QEXGPOMIUWGMHA-SNVBAGLBSA-N 0 0 197.303 2.585 10 0 AFAERN CCC[C@@H](/C=C/CO)OC(C)(C)C 238267269 572490301 /nfs/dbraw/zinc/49/03/01/572490301.db2.gz FQYHRYANOUTBBX-PCGIRMHASA-N 0 0 186.295 2.519 10 0 AFAERN CCc1ccc(C[C@@H](C)CO)c(C)c1 238273271 572504026 /nfs/dbraw/zinc/50/40/26/572504026.db2.gz OCQUPADEFGPJRY-SNVBAGLBSA-N 0 0 192.302 2.728 10 0 AFAERN CC[C@H](C)c1cc(NC(C)C)n[nH]1 62668589 572507181 /nfs/dbraw/zinc/50/71/81/572507181.db2.gz HOPPVXFFBUIDLX-QMMMGPOBSA-N 0 0 181.283 2.744 10 0 AFAERN c1csc(NC[C@@H]2C[C@H]2C2CC2)n1 698897727 757462550 /nfs/dbraw/zinc/46/25/50/757462550.db2.gz BWIFASSBXRXNMG-IUCAKERBSA-N 0 0 194.303 2.601 10 0 AFAERN CC1CCC(c2cc(N)on2)CC1 123510683 573047218 /nfs/dbraw/zinc/04/72/18/573047218.db2.gz UQVDZXFRAOLWDP-UHFFFAOYSA-N 0 0 180.251 2.551 10 0 AFAERN C=COC1C[C@@H](C)C[C@H](C)C1 85503759 573049782 /nfs/dbraw/zinc/04/97/82/573049782.db2.gz MBLNXNLEHBBILJ-IUCAKERBSA-N 0 0 154.253 2.971 10 0 AFAERN CC[C@](C)(CO)Sc1ccccc1 238281224 572518689 /nfs/dbraw/zinc/51/86/89/572518689.db2.gz KYVYJHDXUQQUFW-LLVKDONJSA-N 0 0 196.315 2.940 10 0 AFAERN CSCc1ccc2c(c1)NCCC2 257939056 573059862 /nfs/dbraw/zinc/05/98/62/573059862.db2.gz BOFFYKNTIXKFSU-UHFFFAOYSA-N 0 0 193.315 2.908 10 0 AFAERN C/C=C(/CO)CCCCC 307784444 572518822 /nfs/dbraw/zinc/51/88/22/572518822.db2.gz FLTMVJKGMOWNIE-RUDMXATFSA-N 0 0 142.242 2.505 10 0 AFAERN Nc1cc[nH]c1-c1ccc(Cl)cc1 74268340 572518844 /nfs/dbraw/zinc/51/88/44/572518844.db2.gz ZUPLTYXOXOHAMM-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN Cc1ccc([C@H]2C[C@@H](O)C2(C)C)s1 88179059 573100472 /nfs/dbraw/zinc/10/04/72/573100472.db2.gz WMIVYNDIPFEJQV-PSASIEDQSA-N 0 0 196.315 2.931 10 0 AFAERN CC(C)[C@H](c1ccccc1)[C@@H](C)O 85658649 573100477 /nfs/dbraw/zinc/10/04/77/573100477.db2.gz LWJMRMBPQVYSJE-PWSUYJOCSA-N 0 0 178.275 2.807 10 0 AFAERN CC[C@@H](C[C@H](C)CC(C)C)C(N)=O 238280899 572518894 /nfs/dbraw/zinc/51/88/94/572518894.db2.gz ODEARDUCHHLJFX-ZJUUUORDSA-N 0 0 185.311 2.570 10 0 AFAERN CC[C@H](C)c1nc(/C(C)=C/CO)co1 238282741 572518923 /nfs/dbraw/zinc/51/89/23/572518923.db2.gz VOIZRMHSDXJYSV-MOIHINDBSA-N 0 0 195.262 2.584 10 0 AFAERN Cc1ncccc1NCC(C)(C)C 85712046 573121620 /nfs/dbraw/zinc/12/16/20/573121620.db2.gz WHMNPSHGQJQSLG-UHFFFAOYSA-N 0 0 178.279 2.848 10 0 AFAERN Cc1oc(-n2c(C)ccc2C)cc1N 74274376 572534288 /nfs/dbraw/zinc/53/42/88/572534288.db2.gz KEZQARKEQXKZLE-UHFFFAOYSA-N 0 0 190.246 2.578 10 0 AFAERN Cc1ccc(-c2cc(N)sn2)cc1 74273945 572534300 /nfs/dbraw/zinc/53/43/00/572534300.db2.gz MGCJREWJQSOHAA-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(C)(C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C 699991409 757478905 /nfs/dbraw/zinc/47/89/05/757478905.db2.gz PMCVAVXNEJCQNY-RKDXNWHRSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C 699995519 757479250 /nfs/dbraw/zinc/47/92/50/757479250.db2.gz HUGHUHNNQHOOBO-IVZWLZJFSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)CCn1ccc([C@@H](C)O)c1 85834003 573168121 /nfs/dbraw/zinc/16/81/21/573168121.db2.gz XNOHVGRGIJNWAQ-SNVBAGLBSA-N 0 0 181.279 2.588 10 0 AFAERN C/C=C(\C)C(=O)OC1CC(C)(C)C1 308289070 573168125 /nfs/dbraw/zinc/16/81/25/573168125.db2.gz FZJRQELEOKYQHD-VMPITWQZSA-N 0 0 182.263 2.684 10 0 AFAERN Nc1cc2cc(C3CC3)[nH]c2cc1F 74274495 572537291 /nfs/dbraw/zinc/53/72/91/572537291.db2.gz NKDNNIMLXLUZAT-UHFFFAOYSA-N 0 0 190.221 2.767 10 0 AFAERN Cc1ccnc(SCCC2CC2)n1 308305663 573198691 /nfs/dbraw/zinc/19/86/91/573198691.db2.gz NRZDMMWPRJJHHL-UHFFFAOYSA-N 0 0 194.303 2.677 10 0 AFAERN CCC(CC)C(=O)OCc1ccoc1 727043192 757483556 /nfs/dbraw/zinc/48/35/56/757483556.db2.gz NECJJUWHWOOGAN-UHFFFAOYSA-N 0 0 196.246 2.759 10 0 AFAERN CC(C)CCC(=O)OCc1ccoc1 727043021 757483789 /nfs/dbraw/zinc/48/37/89/757483789.db2.gz JBCHLMXZGBNCQZ-UHFFFAOYSA-N 0 0 196.246 2.759 10 0 AFAERN CC(C)Cc1cc(C(C)C)no1 115249774 572611918 /nfs/dbraw/zinc/61/19/18/572611918.db2.gz WUOFXOIGKWIFHP-UHFFFAOYSA-N 0 0 167.252 2.997 10 0 AFAERN CC/C=C/c1cc(OC)ccc1O 140871686 572611933 /nfs/dbraw/zinc/61/19/33/572611933.db2.gz XSBOPDCBNXPYAC-SNAWJCMRSA-N 0 0 178.231 2.824 10 0 AFAERN CC(C)c1ccc2c(c1O)CCC2=O 714110099 572611966 /nfs/dbraw/zinc/61/19/66/572611966.db2.gz KSHNPOPWBYZQBO-UHFFFAOYSA-N 0 0 190.242 2.645 10 0 AFAERN C/C=C/Cn1ccnc1C(C)C 69950257 572611967 /nfs/dbraw/zinc/61/19/67/572611967.db2.gz NBJGKEHQXCQLIU-SNAWJCMRSA-N 0 0 164.252 2.583 10 0 AFAERN O=C1CC[C@@H]2C=CCCC[C@@H]2C1 196648696 572619858 /nfs/dbraw/zinc/61/98/58/572619858.db2.gz NQWSXEQNVQYHSJ-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN CCc1cccc2ccc(NC)nc12 70060477 572632954 /nfs/dbraw/zinc/63/29/54/572632954.db2.gz CWXYTMWSMNGVKX-UHFFFAOYSA-N 0 0 186.258 2.839 10 0 AFAERN C1CC[C@]2(CCSC2)SC1 74309023 572635437 /nfs/dbraw/zinc/63/54/37/572635437.db2.gz PHEORZGZQAKQPM-MRVPVSSYSA-N 0 0 174.334 2.779 10 0 AFAERN CCC1(C(=O)OCCC2CC2)CC1 308323686 573236170 /nfs/dbraw/zinc/23/61/70/573236170.db2.gz DBWLWNUKEWMPKW-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CCO/C=C\[P@](=O)(CC)OCC 83304634 572641391 /nfs/dbraw/zinc/64/13/91/572641391.db2.gz SKENHCHIQYHFJZ-KRZKBDHCSA-N 0 0 192.195 2.829 10 0 AFAERN COC(=N)CSc1cccc(F)c1 85090268 572659701 /nfs/dbraw/zinc/65/97/01/572659701.db2.gz CMLLELCABQUEIS-UHFFFAOYSA-N 0 0 199.250 2.541 10 0 AFAERN CCC(CC)C(=O)C[C@H]1CCCOC1 689501137 572659729 /nfs/dbraw/zinc/65/97/29/572659729.db2.gz ARGXWLWAZYWIDT-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@H](C)[C@H](O)[C@H](C)c1ccncc1 251944135 572660468 /nfs/dbraw/zinc/66/04/68/572660468.db2.gz SVCIPIQCGLAFAC-UMNHJUIQSA-N 0 0 193.290 2.592 10 0 AFAERN CCCC[C@]1(CC)CC(=O)N[C@H]1CC 85137171 572676496 /nfs/dbraw/zinc/67/64/96/572676496.db2.gz SRWBBGRHWBLRKY-CMPLNLGQSA-N 0 0 197.322 2.872 10 0 AFAERN O=C(CC1CCC1)C(F)(F)C(F)F 236148098 572679015 /nfs/dbraw/zinc/67/90/15/572679015.db2.gz SKWNTDSGRGAZMY-UHFFFAOYSA-N 0 0 198.159 2.646 10 0 AFAERN CCC[C@H](C)CSC[C@H](C)CO 85139448 572679026 /nfs/dbraw/zinc/67/90/26/572679026.db2.gz GEWYMVWJXJKCCD-VHSXEESVSA-N 0 0 190.352 2.784 10 0 AFAERN CC[C@@H](C)CC(=O)[C@@H]1CCCS1 87701158 572679054 /nfs/dbraw/zinc/67/90/54/572679054.db2.gz CJZJUZAVSVBRHS-SCZZXKLOSA-N 0 0 186.320 2.887 10 0 AFAERN CCN[C@@H](c1ccccc1C)C(F)F 87687425 572679058 /nfs/dbraw/zinc/67/90/58/572679058.db2.gz WAGTXSHLIBQWSJ-JTQLQIEISA-N 0 0 199.244 2.911 10 0 AFAERN C[C@H](OCCO)C1=CCCC(C)(C)C1 116064572 572659678 /nfs/dbraw/zinc/65/96/78/572659678.db2.gz HRYHKZBWXKZGJX-JTQLQIEISA-N 0 0 198.306 2.520 10 0 AFAERN CC(C)(C)/C=C/C(=O)OC(C)(C)C 117410657 572679129 /nfs/dbraw/zinc/67/91/29/572679129.db2.gz CLNCSSIGNCCOLM-BQYQJAHWSA-N 0 0 184.279 2.930 10 0 AFAERN CCC[C@@](N)(c1ccccc1)C(F)F 87688180 572679181 /nfs/dbraw/zinc/67/91/81/572679181.db2.gz ULSUVFMKKKCNPU-LLVKDONJSA-N 0 0 199.244 2.906 10 0 AFAERN O=C(CCC1CC1)[C@H]1CCCS1 87701299 572679200 /nfs/dbraw/zinc/67/92/00/572679200.db2.gz RXUYMZGXUZYLIL-SNVBAGLBSA-N 0 0 184.304 2.641 10 0 AFAERN CC(C)OC(=O)/C=C\C(C)(C)C 117423213 572679214 /nfs/dbraw/zinc/67/92/14/572679214.db2.gz XATUAWQQZVAIQV-SREVYHEPSA-N 0 0 170.252 2.540 10 0 AFAERN Cc1nc(C(=O)[C@H](C)CC(C)C)co1 308558481 573351719 /nfs/dbraw/zinc/35/17/19/573351719.db2.gz UQICQZMWXHKIMN-MRVPVSSYSA-N 0 0 195.262 2.848 10 0 AFAERN CCCC(O)(CCC)C(F)F 87687807 572679225 /nfs/dbraw/zinc/67/92/25/572679225.db2.gz YOCFYFSZOKRSDS-UHFFFAOYSA-N 0 0 166.211 2.583 10 0 AFAERN CCN[C@@H](c1cccc(C)c1)C(F)F 87687431 572679238 /nfs/dbraw/zinc/67/92/38/572679238.db2.gz XKOIAGUCELLVHF-JTQLQIEISA-N 0 0 199.244 2.911 10 0 AFAERN CC[C@@H](C)C[C@](O)(CC)C(F)F 87687694 572679246 /nfs/dbraw/zinc/67/92/46/572679246.db2.gz XIIQFAGIQZATPW-VXNVDRBHSA-N 0 0 180.238 2.829 10 0 AFAERN CSCCCc1ccc(C)cc1O 238420395 572701217 /nfs/dbraw/zinc/70/12/17/572701217.db2.gz WZAZQSPRVUSGSZ-UHFFFAOYSA-N 0 0 196.315 2.996 10 0 AFAERN O[C@@H]1CCCCC[C@@H]1CC(F)F 86360510 573390007 /nfs/dbraw/zinc/39/00/07/573390007.db2.gz SMOGVKRNZVTRED-HTQZYQBOSA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@H](CCO)Cc1ccccc1 78103877 573493517 /nfs/dbraw/zinc/49/35/17/573493517.db2.gz QZOLVIHZCAFWND-LLVKDONJSA-N 0 0 178.275 2.638 10 0 AFAERN CCc1ccc(C)c(CC)c1O 198207111 573495101 /nfs/dbraw/zinc/49/51/01/573495101.db2.gz LSOXOHJQVJVLLZ-UHFFFAOYSA-N 0 0 164.248 2.825 10 0 AFAERN CC[C@H](C)[C@](C)(O)Cc1ccco1 130258467 573499669 /nfs/dbraw/zinc/49/96/69/573499669.db2.gz DKFUICLDNWDYFY-GXSJLCMTSA-N 0 0 182.263 2.619 10 0 AFAERN CSCCCC[C@H](O)C(C)(C)C 130264992 573499680 /nfs/dbraw/zinc/49/96/80/573499680.db2.gz ROZDNOIHJZHRSG-VIFPVBQESA-N 0 0 190.352 2.927 10 0 AFAERN C[C@@H]1CC[C@@H](CCCCCO)C(=O)C1 238442438 572718426 /nfs/dbraw/zinc/71/84/26/572718426.db2.gz MQYZKTIPIASYEY-GHMZBOCLSA-N 0 0 198.306 2.544 10 0 AFAERN Cc1c[nH]c(-c2ccc(C)c(F)c2)n1 70653288 572720859 /nfs/dbraw/zinc/72/08/59/572720859.db2.gz YHMRCHZTACUDIB-UHFFFAOYSA-N 0 0 190.221 2.833 10 0 AFAERN CCCNC(=O)C1(C)C(C)(C)C1(C)C 885876148 757548265 /nfs/dbraw/zinc/54/82/65/757548265.db2.gz SFVKKHNXXYODIH-UHFFFAOYSA-N 0 0 197.322 2.585 10 0 AFAERN Nc1ccccc1C1CCSCC1 257859227 573741455 /nfs/dbraw/zinc/74/14/55/573741455.db2.gz QQVNACNTKIGQLL-UHFFFAOYSA-N 0 0 193.315 2.879 10 0 AFAERN CC(=O)CCCc1ccsc1 70651076 572722449 /nfs/dbraw/zinc/72/24/49/572722449.db2.gz XWSZVTVGWGMWAW-UHFFFAOYSA-N 0 0 168.261 2.660 10 0 AFAERN CC(C)(C)NC(=O)C[C@H]1CC=CCC1 885790166 757547344 /nfs/dbraw/zinc/54/73/44/757547344.db2.gz USLPCTFZGWCRDW-JTQLQIEISA-N 0 0 195.306 2.648 10 0 AFAERN Cc1cc(C(N)=S)c(C(C)C)s1 77093299 572733212 /nfs/dbraw/zinc/73/32/12/572733212.db2.gz SSKHFXTUXCPPRC-UHFFFAOYSA-N 0 0 199.344 2.814 10 0 AFAERN O[C@H](c1cc2ccccc2o1)C1CC1 70735953 572733215 /nfs/dbraw/zinc/73/32/15/572733215.db2.gz NPTKMUVWOBFBGY-LBPRGKRZSA-N 0 0 188.226 2.876 10 0 AFAERN Cc1cc(CO)c(C(F)(F)F)s1 77093479 572733248 /nfs/dbraw/zinc/73/32/48/572733248.db2.gz CUIHHHBGGBPUFL-UHFFFAOYSA-N 0 0 196.193 2.568 10 0 AFAERN O=C(CF)c1ccccc1 100426949 573802908 /nfs/dbraw/zinc/80/29/08/573802908.db2.gz NVWUIKICRQMGHY-SOFGYWHQSA-N 0 0 138.141 2.513 10 0 AFAERN Cc1nc(C)c(C(=O)C(C)C)s1 84344220 573843946 /nfs/dbraw/zinc/84/39/46/573843946.db2.gz LIFFIQPFRWRWTG-UHFFFAOYSA-N 0 0 183.276 2.599 10 0 AFAERN CCCC(=O)NC1(C)C(C)(C)C1(C)C 885876351 757552103 /nfs/dbraw/zinc/55/21/03/757552103.db2.gz YXGZODJREHEXNF-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN C/C=C\C(=O)NC1(C)C(C)(C)C1(C)C 885788798 757552301 /nfs/dbraw/zinc/55/23/01/757552301.db2.gz QLZWWZBOVUONTH-FPLPWBNLSA-N 0 0 195.306 2.503 10 0 AFAERN COc1ccc(O/C=C\Cl)cc1 307889887 572735896 /nfs/dbraw/zinc/73/58/96/572735896.db2.gz OWWDPQSYQYRQPA-SREVYHEPSA-N 0 0 184.622 2.784 10 0 AFAERN C/C=C\COc1cccc(N)c1C 308108136 572735914 /nfs/dbraw/zinc/73/59/14/572735914.db2.gz QCYKYKNNYNJKIY-ARJAWSKDSA-N 0 0 177.247 2.532 10 0 AFAERN C/C=C/C(=O)NC1(C)C(C)(C)C1(C)C 885788797 757556491 /nfs/dbraw/zinc/55/64/91/757556491.db2.gz QLZWWZBOVUONTH-BQYQJAHWSA-N 0 0 195.306 2.503 10 0 AFAERN O=C1CCCC[C@@H](c2cccnc2)C1 70740305 572735944 /nfs/dbraw/zinc/73/59/44/572735944.db2.gz XUCFXQMRSIERBB-SNVBAGLBSA-N 0 0 189.258 2.698 10 0 AFAERN CC[C@@H]1COc2cccc(C(C)=O)c21 22005118 572735949 /nfs/dbraw/zinc/73/59/49/572735949.db2.gz BUGDGXOQKJUTSM-SECBINFHSA-N 0 0 190.242 2.775 10 0 AFAERN CC(C)(C)NC(=O)C[C@@H]1CC=CCC1 885790167 757556894 /nfs/dbraw/zinc/55/68/94/757556894.db2.gz USLPCTFZGWCRDW-SNVBAGLBSA-N 0 0 195.306 2.648 10 0 AFAERN CC1([C@](C)(O)c2cccs2)CC1 87365788 573900161 /nfs/dbraw/zinc/90/01/61/573900161.db2.gz FEKFPWAPGSGBNJ-SNVBAGLBSA-N 0 0 182.288 2.756 10 0 AFAERN Cc1ccc(-c2cnccc2C)cc1N 85441895 572748282 /nfs/dbraw/zinc/74/82/82/572748282.db2.gz OVRLXFICYVCUMZ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C=C/C=C/CCNc1ncccc1C 713486542 572748298 /nfs/dbraw/zinc/74/82/98/572748298.db2.gz DIIMHAXTMXQQCY-SNAWJCMRSA-N 0 0 188.274 2.934 10 0 AFAERN C=C/C=C\CCC(=O)[C@@H]1CC[C@@H](C)O1 713744764 572753462 /nfs/dbraw/zinc/75/34/62/572753462.db2.gz JCRMFPZVAZJSTP-SFLCEZBHSA-N 0 0 194.274 2.645 10 0 AFAERN CC(C)C(=O)NC1(C)C(C)(C)C1(C)C 885883931 757562740 /nfs/dbraw/zinc/56/27/40/757562740.db2.gz OOHPECFQLNNCMP-UHFFFAOYSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)NC(=O)C1(C)C(C)(C)C1(C)C 885881408 757562784 /nfs/dbraw/zinc/56/27/84/757562784.db2.gz SKAXCVDQNGEVCY-UHFFFAOYSA-N 0 0 197.322 2.583 10 0 AFAERN O=C(CCCCF)CC1CCC1 308132023 572793802 /nfs/dbraw/zinc/79/38/02/572793802.db2.gz YDAQZVFEIBBZJO-UHFFFAOYSA-N 0 0 172.243 2.886 10 0 AFAERN Nc1cc(CCc2ccco2)cs1 257564183 572793815 /nfs/dbraw/zinc/79/38/15/572793815.db2.gz ZHAVTLJHKFLNAI-UHFFFAOYSA-N 0 0 193.271 2.709 10 0 AFAERN Nc1coc(Cc2ccc(F)cc2)c1 257566424 572793841 /nfs/dbraw/zinc/79/38/41/572793841.db2.gz AFZISPPMGQBFGM-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN Nc1ccc(Cc2cccs2)s1 257563884 572793884 /nfs/dbraw/zinc/79/38/84/572793884.db2.gz RGNQYIJOXFTHQR-UHFFFAOYSA-N 0 0 195.312 2.983 10 0 AFAERN Cc1c[nH]c(C)c1C(=O)c1ccccc1 238554120 572793918 /nfs/dbraw/zinc/79/39/18/572793918.db2.gz PIZHLVHKIXLBFA-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN CC(C)CCc1ccc(N)s1 257564088 572794095 /nfs/dbraw/zinc/79/40/95/572794095.db2.gz XEIZKMNQLIJJCZ-UHFFFAOYSA-N 0 0 169.293 2.919 10 0 AFAERN Cc1cc2c(N)cn(C)c2cc1Cl 75122081 572811266 /nfs/dbraw/zinc/81/12/66/572811266.db2.gz PUUBLUICFBZMKN-UHFFFAOYSA-N 0 0 194.665 2.722 10 0 AFAERN CCc1ccc([C@@H]2CCC(=O)O2)cc1 49806596 572811327 /nfs/dbraw/zinc/81/13/27/572811327.db2.gz HGUVJZGSIKGZAY-NSHDSACASA-N 0 0 190.242 2.627 10 0 AFAERN Cc1cnc2c(c1)C[C@@H](C)[C@H](C)C2 49805272 572811341 /nfs/dbraw/zinc/81/13/41/572811341.db2.gz JHRKEUMLMXQNPH-NXEZZACHSA-N 0 0 175.275 2.761 10 0 AFAERN Cc1c(Cl)cc2ccn(C)c2c1N 75122103 572811354 /nfs/dbraw/zinc/81/13/54/572811354.db2.gz CPZKVIHIXFRKQU-UHFFFAOYSA-N 0 0 194.665 2.722 10 0 AFAERN CC1=CCCC[C@]12CCCC2=O 238231123 573990076 /nfs/dbraw/zinc/99/00/76/573990076.db2.gz HWRQVRXPFMOFBQ-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN O=C(c1sccc1Cl)C1CC1 87621102 573990077 /nfs/dbraw/zinc/99/00/77/573990077.db2.gz DQMKGNFDRCZLIF-UHFFFAOYSA-N 0 0 186.663 2.994 10 0 AFAERN CCc1ccc([C@@H]2N[C@@H](C)CS2)o1 85309605 574031520 /nfs/dbraw/zinc/03/15/20/574031520.db2.gz BLEAMWOXCUQMIM-OIBJUYFYSA-N 0 0 197.303 2.566 10 0 AFAERN CC(=O)/C=C1\CCCc2ccccc21 393562585 572820453 /nfs/dbraw/zinc/82/04/53/572820453.db2.gz ACDGWTFWHAKEJF-FMIVXFBMSA-N 0 0 186.254 2.995 10 0 AFAERN CC[C@@H](O)CCC=C(C)C 49852217 572820473 /nfs/dbraw/zinc/82/04/73/572820473.db2.gz PTWLYEZZEBUHOK-SECBINFHSA-N 0 0 142.242 2.504 10 0 AFAERN CCOc1c(C)ccc(C)c1C(C)=O 71457322 572828735 /nfs/dbraw/zinc/82/87/35/572828735.db2.gz PZJZTGCUJKGMRK-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN C[C@@H]1CN[C@@H](c2cccs2)SC1 85337150 574038265 /nfs/dbraw/zinc/03/82/65/574038265.db2.gz XXKSHBJOZFMBQF-VXNVDRBHSA-N 0 0 199.344 2.719 10 0 AFAERN Cc1cc(NC(=O)C(C)C)sc1C 71492165 572831106 /nfs/dbraw/zinc/83/11/06/572831106.db2.gz SOLWLWZUXCQJFX-UHFFFAOYSA-N 0 0 197.303 2.959 10 0 AFAERN CCC(=O)c1cc(C)c2ccccn12 75393513 572839634 /nfs/dbraw/zinc/83/96/34/572839634.db2.gz UKDTUNJZADZBBX-UHFFFAOYSA-N 0 0 187.242 2.840 10 0 AFAERN CC(=O)c1n[nH]c(C(C)C)c1C(C)C 75394389 572839645 /nfs/dbraw/zinc/83/96/45/572839645.db2.gz MQUOUFQNNJVHLD-UHFFFAOYSA-N 0 0 194.278 2.859 10 0 AFAERN CCCCSc1cc[nH]c(=O)c1 307967005 572872415 /nfs/dbraw/zinc/87/24/15/572872415.db2.gz SAPITVFTYRZQLU-UHFFFAOYSA-N 0 0 183.276 2.679 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)CCCCF)C1 308134178 572814443 /nfs/dbraw/zinc/81/44/43/572814443.db2.gz HDBWGDPYGMUQBB-GMTAPVOTSA-N 0 0 188.286 2.923 10 0 AFAERN COc1cccc(C(C)C)c1F 75838818 572902418 /nfs/dbraw/zinc/90/24/18/572902418.db2.gz OOKFMDXKBKINSN-UHFFFAOYSA-N 0 0 168.211 2.958 10 0 AFAERN C/C=C/CN(CCC)CC(F)F 307971108 572879850 /nfs/dbraw/zinc/87/98/50/572879850.db2.gz HBPPQTWPBQASRP-HWKANZROSA-N 0 0 177.238 2.540 10 0 AFAERN CCC(CC)[C@@H]1CNc2ccoc2O1 75595993 572895471 /nfs/dbraw/zinc/89/54/71/572895471.db2.gz DLCUWZPNZVEABN-JTQLQIEISA-N 0 0 195.262 2.889 10 0 AFAERN C/C=C/C=C/C=C\[C@H](O)C(C)C 307973729 572895475 /nfs/dbraw/zinc/89/54/75/572895475.db2.gz CKBOBVSEGAVGPK-LKZJFEJSSA-N 0 0 166.264 2.692 10 0 AFAERN C=C/C=C\Oc1ccccc1 118770194 572895491 /nfs/dbraw/zinc/89/54/91/572895491.db2.gz OLWMSDPVMZSUNJ-OQFOIZHKSA-N 0 0 146.189 2.765 10 0 AFAERN C/C=C\[C@H](O)[C@H](C)c1ccccc1 308163189 572895507 /nfs/dbraw/zinc/89/55/07/572895507.db2.gz NYWZWOJLJMVKIE-VUFVLOIUSA-N 0 0 176.259 2.727 10 0 AFAERN CC(C)[C@H]1CN(C)c2occc2S1 75596814 572895522 /nfs/dbraw/zinc/89/55/22/572895522.db2.gz JBSXONHFKAFQFJ-SECBINFHSA-N 0 0 197.303 2.846 10 0 AFAERN CCOC(=O)/C(CC)=C(/C)CC 118767139 572895530 /nfs/dbraw/zinc/89/55/30/572895530.db2.gz QVGJCHRGCUWKCT-HJWRWDBZSA-N 0 0 170.252 2.686 10 0 AFAERN C/C(=C\CC(C)C)[C@@H](O)C(C)C 307974540 572895572 /nfs/dbraw/zinc/89/55/72/572895572.db2.gz DIFKPSTUIJFUSA-HUYFXPKMSA-N 0 0 170.296 2.996 10 0 AFAERN CCCC[C@@H](O)c1cncc(Cl)c1 307974680 572895574 /nfs/dbraw/zinc/89/55/74/572895574.db2.gz JWWASYVKTMXBRX-SNVBAGLBSA-N 0 0 199.681 2.959 10 0 AFAERN CCC(CC)[C@@H]1CNc2occc2O1 75596384 572895586 /nfs/dbraw/zinc/89/55/86/572895586.db2.gz VSFUIQSNYFQNKW-JTQLQIEISA-N 0 0 195.262 2.889 10 0 AFAERN CC(C)(C)COC(=O)C=C1CCC1 308164427 572895593 /nfs/dbraw/zinc/89/55/93/572895593.db2.gz WWFJIHXZDJUNSM-UHFFFAOYSA-N 0 0 182.263 2.686 10 0 AFAERN COc1ccc(F)c(C(=O)C(C)C)c1 75854489 572902362 /nfs/dbraw/zinc/90/23/62/572902362.db2.gz PFSFPLDBWKVUEB-UHFFFAOYSA-N 0 0 196.221 2.673 10 0 AFAERN CC(C)C(=O)c1nc2ccccc2o1 75854565 572902389 /nfs/dbraw/zinc/90/23/89/572902389.db2.gz XDIXLSNEAOKBGL-UHFFFAOYSA-N 0 0 189.214 2.667 10 0 AFAERN COC(=O)c1cc(C(C)C)ccc1F 75839285 572902395 /nfs/dbraw/zinc/90/23/95/572902395.db2.gz SYEQEJCWLIBLEZ-UHFFFAOYSA-N 0 0 196.221 2.736 10 0 AFAERN CS[C@H](c1ccccc1)[C@@H](C)CO 308173454 572902402 /nfs/dbraw/zinc/90/24/02/572902402.db2.gz YEBDBQDQEQNSRQ-ONGXEEELSA-N 0 0 196.315 2.719 10 0 AFAERN Cc1ccc([C@H](O)/C(F)=C\F)cc1 308173419 572902410 /nfs/dbraw/zinc/90/24/10/572902410.db2.gz XYBKUPKJFVELHW-ZKXNXJMVSA-N 0 0 184.185 2.809 10 0 AFAERN Cc1cc(CCC(C)(C)O)ccc1F 57489996 572914045 /nfs/dbraw/zinc/91/40/45/572914045.db2.gz SKTRKXYCVKPTDI-UHFFFAOYSA-N 0 0 196.265 2.838 10 0 AFAERN COc1ccc(NCCCF)c(C)c1 88024902 572930971 /nfs/dbraw/zinc/93/09/71/572930971.db2.gz NAHWCHQXXDOESZ-UHFFFAOYSA-N 0 0 197.253 2.775 10 0 AFAERN Cc1nc(-c2cccs2)c(C=O)o1 57488830 572914139 /nfs/dbraw/zinc/91/41/39/572914139.db2.gz RSYZTRAJCIHOIC-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC/C=C\c1ccccn1 72231199 572915905 /nfs/dbraw/zinc/91/59/05/572915905.db2.gz NGFUZFAPKBLICJ-UTCJRWHESA-N 0 0 133.194 2.505 10 0 AFAERN CCCCC(=O)CC1CCOCC1 86315079 572915910 /nfs/dbraw/zinc/91/59/10/572915910.db2.gz HVCCKELXIYJRLB-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCCC[C@@H](O)CCC1CC1 86315102 572915963 /nfs/dbraw/zinc/91/59/63/572915963.db2.gz XDHOBWKXMHHWMJ-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN C=C/C=C\CC[C@H](O)[C@H](C)C1CC1 713639221 572927030 /nfs/dbraw/zinc/92/70/30/572927030.db2.gz GGSSASUNONBGBL-SFLCEZBHSA-N 0 0 180.291 2.916 10 0 AFAERN O[C@@H](c1ccccc1)C1(C2CC2)CC1 141160020 572927041 /nfs/dbraw/zinc/92/70/41/572927041.db2.gz IBCUPDLPSQCHFT-LBPRGKRZSA-N 0 0 188.270 2.910 10 0 AFAERN CCOC(=O)[C@@H]1[C@@H](C)C12CCCCC2 116731632 572927048 /nfs/dbraw/zinc/92/70/48/572927048.db2.gz HNCSDOSXUIXKNG-ZJUUUORDSA-N 0 0 196.290 2.766 10 0 AFAERN CCCC(=O)C[C@H]1CCCCC[C@H]1O 86352560 572927679 /nfs/dbraw/zinc/92/76/79/572927679.db2.gz CXEYZVZKCVPMHT-ZYHUDNBSSA-N 0 0 198.306 2.687 10 0 AFAERN CC1(C)CCc2ccc(O)cc2N1 141239923 572927682 /nfs/dbraw/zinc/92/76/82/572927682.db2.gz IJDHZLYEVDYFOY-UHFFFAOYSA-N 0 0 177.247 2.529 10 0 AFAERN CCC[C@H](C)OC[C@@H](O)[C@H](C)CC 299982274 572927703 /nfs/dbraw/zinc/92/77/03/572927703.db2.gz VUTVCJKCLUBEPP-OUAUKWLOSA-N 0 0 188.311 2.599 10 0 AFAERN CCSCc1cc(N)cc(OC)c1 88042356 572943858 /nfs/dbraw/zinc/94/38/58/572943858.db2.gz MHHHDLOAHRAALV-UHFFFAOYSA-N 0 0 197.303 2.531 10 0 AFAERN CC(C)C[C@@H](C)CC[C@@H](C)O 116790555 572933892 /nfs/dbraw/zinc/93/38/92/572933892.db2.gz MADAEMIVGVZJCU-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)C[C@H](C)CC[C@H](C)O 116790562 572933912 /nfs/dbraw/zinc/93/39/12/572933912.db2.gz MADAEMIVGVZJCU-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)(C)c1nnc([C@@H]2CC2(C)C)o1 1117253764 757633197 /nfs/dbraw/zinc/63/31/97/757633197.db2.gz SQKNUKCIWGORNR-ZETCQYMHSA-N 0 0 194.278 2.881 10 0 AFAERN C/C=C(/CC)C(=O)N[C@@H](C)C(C)C 308196081 572937179 /nfs/dbraw/zinc/93/71/79/572937179.db2.gz QZUXEIJRMKIRNI-LKJZUNMESA-N 0 0 183.295 2.503 10 0 AFAERN Cc1cc2c(cc1C)NC(C)(C)CN2 57923049 572938502 /nfs/dbraw/zinc/93/85/02/572938502.db2.gz KRJIAAVZSWTRDZ-UHFFFAOYSA-N 0 0 190.290 2.919 10 0 AFAERN CC(C)(C)OC(=O)C1(CC2CC2)CC1 238117039 572938504 /nfs/dbraw/zinc/93/85/04/572938504.db2.gz WUHQNLGRXCBYBL-UHFFFAOYSA-N 0 0 196.290 2.908 10 0 AFAERN CC(=O)O/C=C/Cc1ccc(C)cc1 238110528 572938515 /nfs/dbraw/zinc/93/85/15/572938515.db2.gz UOFPHDJDFRWWRT-YCRREMRBSA-N 0 0 190.242 2.614 10 0 AFAERN O=Cc1ccc2oc(C3CC3)nc2c1 57936520 572938516 /nfs/dbraw/zinc/93/85/16/572938516.db2.gz UJYKARNRCJIFNF-UHFFFAOYSA-N 0 0 187.198 2.518 10 0 AFAERN CC(C)(C)/C=C/C=C/CCCO 238114769 572938542 /nfs/dbraw/zinc/93/85/42/572938542.db2.gz VPZPEGOZPWMNTM-NNMZAIBHSA-N 0 0 168.280 2.917 10 0 AFAERN Cc1cc(C)c2c(c1)NC(=O)CCC2 57936714 572938549 /nfs/dbraw/zinc/93/85/49/572938549.db2.gz LVZGNNYAUMTQRR-UHFFFAOYSA-N 0 0 189.258 2.578 10 0 AFAERN CC1(C)C[C@H]1c1nnc(C2CCC2)o1 1117246617 757639341 /nfs/dbraw/zinc/63/93/41/757639341.db2.gz WFIYSEXLENLBCB-QMMMGPOBSA-N 0 0 192.262 2.851 10 0 AFAERN CC(C)(C)OC/C=C/CC/C=C/CO 238114310 572938581 /nfs/dbraw/zinc/93/85/81/572938581.db2.gz HBVHFTLQSRMAFW-CDJQDVQCSA-N 0 0 198.306 2.686 10 0 AFAERN CC(C)CC[C@@H](CC(C)C)C(N)=O 238113696 572938597 /nfs/dbraw/zinc/93/85/97/572938597.db2.gz LMWOIIVCZQUPED-JTQLQIEISA-N 0 0 185.311 2.570 10 0 AFAERN C/C(=C\CO)[C@H](F)CCC(C)C 238114501 572938612 /nfs/dbraw/zinc/93/86/12/572938612.db2.gz ZFSYAURQHCXOFC-OLKPEBQYSA-N 0 0 174.259 2.699 10 0 AFAERN CC/C(C)=C\C(=O)NC(C)(C)C1CC1 1117797223 757640530 /nfs/dbraw/zinc/64/05/30/757640530.db2.gz HJSYNIAJZHWDSY-HJWRWDBZSA-N 0 0 195.306 2.648 10 0 AFAERN CCNc1nc2cccc(C)c2o1 1117794324 757642359 /nfs/dbraw/zinc/64/23/59/757642359.db2.gz HKQRLMCZIKNRMW-UHFFFAOYSA-N 0 0 176.219 2.568 10 0 AFAERN CCCCC1=C[C@H]2C(=O)CC[C@H]12 222613597 572943793 /nfs/dbraw/zinc/94/37/93/572943793.db2.gz IAGJFBQITWAYLI-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CCCC[C@H](C)OC(=O)[C@H]1C[C@H]1C 308212100 572943802 /nfs/dbraw/zinc/94/38/02/572943802.db2.gz GVKWUWWLIAWOKF-UTLUCORTSA-N 0 0 184.279 2.764 10 0 AFAERN CCCCC1=C[C@@H]2CCC(=O)[C@@H]12 222613349 572943855 /nfs/dbraw/zinc/94/38/55/572943855.db2.gz IENXVNOIPSRGBA-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@]1(/C=C\[Si](C)(C)C)CCC[C@@H]1O 308207972 572945762 /nfs/dbraw/zinc/94/57/62/572945762.db2.gz JJCZIGNODIHNNG-DOSOYNOZSA-N 0 0 198.382 2.971 10 0 AFAERN CC/C(C)=C/C(=O)NC(C)(C)C1CC1 1117797222 757648420 /nfs/dbraw/zinc/64/84/20/757648420.db2.gz HJSYNIAJZHWDSY-CMDGGOBGSA-N 0 0 195.306 2.648 10 0 AFAERN Cc1nnc([C@@H](C)CC(C)C)o1 1118076995 757656568 /nfs/dbraw/zinc/65/65/68/757656568.db2.gz RNHFDLHWVLNNTR-ZETCQYMHSA-N 0 0 168.240 2.528 10 0 AFAERN Cc1nnc(SCC2=CCCC2)o1 1118169966 757660159 /nfs/dbraw/zinc/66/01/59/757660159.db2.gz GMNLFCPYGXDYPD-UHFFFAOYSA-N 0 0 196.275 2.580 10 0 AFAERN CCCCC1=C[C@@H]2C(=O)CC[C@@H]12 222613784 572945742 /nfs/dbraw/zinc/94/57/42/572945742.db2.gz IAGJFBQITWAYLI-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1nnc([C@H](C)CC(C)C)o1 1118076993 757661801 /nfs/dbraw/zinc/66/18/01/757661801.db2.gz RNHFDLHWVLNNTR-SSDOTTSWSA-N 0 0 168.240 2.528 10 0 AFAERN COC(=O)[C@@H]1CCC(C)=CC1(C)C 59383636 572969749 /nfs/dbraw/zinc/96/97/49/572969749.db2.gz JGRFIJUXTWQXMW-VIFPVBQESA-N 0 0 182.263 2.542 10 0 AFAERN Cc1ccc([C@H]2C[C@@H](O)[C@@H]2C)cc1C 88178931 572974808 /nfs/dbraw/zinc/97/48/08/572974808.db2.gz YRFDFKKXIPRLSH-KGYLQXTDSA-N 0 0 190.286 2.788 10 0 AFAERN CCC[C@@]1(c2ccccc2)C[C@H]1CO 88158031 572974812 /nfs/dbraw/zinc/97/48/12/572974812.db2.gz NFSLTDHYUSJDHO-STQMWFEESA-N 0 0 190.286 2.737 10 0 AFAERN CCCCC[C@]1(C)C[C@@H]1CO 88158715 572974822 /nfs/dbraw/zinc/97/48/22/572974822.db2.gz NPQKGXOPJIXVMU-NXEZZACHSA-N 0 0 156.269 2.585 10 0 AFAERN Cc1ccc(C2[C@H](C)C(O)[C@@H]2C)cc1 88184047 572975665 /nfs/dbraw/zinc/97/56/65/572975665.db2.gz NBFGWIBPNLPTQV-ASZHBFLOSA-N 0 0 190.286 2.725 10 0 AFAERN CC1(C)[C@@H](O)[C@H]2CCCCCC[C@H]21 88184212 572975684 /nfs/dbraw/zinc/97/56/84/572975684.db2.gz ZOTZJQGFLGZNSL-AXFHLTTASA-N 0 0 182.307 2.974 10 0 AFAERN CCCC/C=C/[C@@H]1C[C@@H]1C(C)=O 238192983 572979260 /nfs/dbraw/zinc/97/92/60/572979260.db2.gz UWUUMAITUPWOHZ-AFPRHGJPSA-N 0 0 166.264 2.958 10 0 AFAERN CCc1ccc(F)c2c(C=O)c[nH]c12 59731197 572979313 /nfs/dbraw/zinc/97/93/13/572979313.db2.gz HLLYJFCPHSKABS-UHFFFAOYSA-N 0 0 191.205 2.682 10 0 AFAERN CCCC/C=C/[C@@H]1C[C@H]1C(C)=O 238193028 572979621 /nfs/dbraw/zinc/97/96/21/572979621.db2.gz UWUUMAITUPWOHZ-JNQBIPAQSA-N 0 0 166.264 2.958 10 0 AFAERN CCC(/C=C/CCCO)CC 238193560 572979630 /nfs/dbraw/zinc/97/96/30/572979630.db2.gz KTERXOAGNUDPMG-SOFGYWHQSA-N 0 0 156.269 2.751 10 0 AFAERN CCc1ccc(F)c2[nH]cc(C=O)c12 59731191 572979704 /nfs/dbraw/zinc/97/97/04/572979704.db2.gz QYRBFVFRHIKEMN-UHFFFAOYSA-N 0 0 191.205 2.682 10 0 AFAERN CCc1ccc(O)c(C(F)(F)F)c1 59650270 572979709 /nfs/dbraw/zinc/97/97/09/572979709.db2.gz SYDZWHIJNCHVGH-UHFFFAOYSA-N 0 0 190.164 2.973 10 0 AFAERN CCC1(C[C@H](O)[C@H]2C[C@H]2C)CCC1 308219287 572996066 /nfs/dbraw/zinc/99/60/66/572996066.db2.gz BQBSNEIGONZNLI-VWYCJHECSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1cc[nH]c1C(=O)O[C@H](C)C(C)C 1118398957 757674281 /nfs/dbraw/zinc/67/42/81/757674281.db2.gz LJQBZOUEJNWFQJ-SECBINFHSA-N 0 0 195.262 2.524 10 0 AFAERN CC(C)=CCCOC(=O)C1CC=CC1 1118390973 757675553 /nfs/dbraw/zinc/67/55/53/757675553.db2.gz BQGMPVDNYZUANK-UHFFFAOYSA-N 0 0 194.274 2.852 10 0 AFAERN CC1(C)C[C@H]2C(=O)CC[C@]2(C)C1 238240819 572996140 /nfs/dbraw/zinc/99/61/40/572996140.db2.gz YBPGOZKFBOCACN-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1nnc(CC2(C)CCCC2)o1 1118363042 757676106 /nfs/dbraw/zinc/67/61/06/757676106.db2.gz WMDDLDRJLMVXLA-UHFFFAOYSA-N 0 0 180.251 2.501 10 0 AFAERN COc1c(C)cc2c(c1C)C[C@@H](C)N2 713793050 572951469 /nfs/dbraw/zinc/95/14/69/572951469.db2.gz DICHZRJITLNQRN-MRVPVSSYSA-N 0 0 191.274 2.669 10 0 AFAERN CC(C)[C@H]1C[C@H]1c1nnc(C2CC2)o1 1118366533 757676681 /nfs/dbraw/zinc/67/66/81/757676681.db2.gz YVKNKRWADLCCQP-RKDXNWHRSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)[C@@H]1C[C@@H]1c1nnc(C2CC2)o1 1118366528 757677091 /nfs/dbraw/zinc/67/70/91/757677091.db2.gz YVKNKRWADLCCQP-IUCAKERBSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)[C@H]1C[C@@H]1c1nnc(C2CC2)o1 1118366522 757677144 /nfs/dbraw/zinc/67/71/44/757677144.db2.gz YVKNKRWADLCCQP-BDAKNGLRSA-N 0 0 192.262 2.707 10 0 AFAERN CC1(C)NC2=C(CCC2)C(=S)S1 238250669 573001199 /nfs/dbraw/zinc/00/11/99/573001199.db2.gz DIVOIQXGMBXYBO-UHFFFAOYSA-N 0 0 199.344 2.824 10 0 AFAERN CC(C)[C@@H]1C[C@H]1c1nnc(C2CC2)o1 1118366525 757678087 /nfs/dbraw/zinc/67/80/87/757678087.db2.gz YVKNKRWADLCCQP-DTWKUNHWSA-N 0 0 192.262 2.707 10 0 AFAERN Cc1cc[nH]c1C(=O)O[C@@H](C)C(C)C 1118398958 757678614 /nfs/dbraw/zinc/67/86/14/757678614.db2.gz LJQBZOUEJNWFQJ-VIFPVBQESA-N 0 0 195.262 2.524 10 0 AFAERN CC[C@H](C)C1=C[C@H]2C(=O)C[C@@H]2C1 223847079 573001300 /nfs/dbraw/zinc/00/13/00/573001300.db2.gz UVFNMNSSMFTTLV-UJNFCWOMSA-N 0 0 164.248 2.568 10 0 AFAERN C[C@H]1Cc2cc([C@H](C)O)ccc2S1 257917776 573001308 /nfs/dbraw/zinc/00/13/08/573001308.db2.gz BVBSDPBURILWSH-YUMQZZPRSA-N 0 0 194.299 2.777 10 0 AFAERN Cc1[nH]ccc1C(=O)O[C@H](C)C(C)C 1118453011 757680682 /nfs/dbraw/zinc/68/06/82/757680682.db2.gz IXVAVNXIQYASQR-SECBINFHSA-N 0 0 195.262 2.524 10 0 AFAERN Fc1cccc2c1NCCC21CC1 257918291 573001346 /nfs/dbraw/zinc/00/13/46/573001346.db2.gz RBXZGZRVBFKDBC-UHFFFAOYSA-N 0 0 177.222 2.673 10 0 AFAERN CCCc1nc(Cl)c2cc[nH]c2n1 238250936 573001371 /nfs/dbraw/zinc/00/13/71/573001371.db2.gz JZKBOWBVZCQKKJ-UHFFFAOYSA-N 0 0 195.653 2.564 10 0 AFAERN CC(C)c1cc(F)cc(C[C@H](C)O)c1 258209660 573001404 /nfs/dbraw/zinc/00/14/04/573001404.db2.gz ZDYQFSXZUMGGSB-VIFPVBQESA-N 0 0 196.265 2.872 10 0 AFAERN CSCc1cccc2c1CCCN2 258208822 573001452 /nfs/dbraw/zinc/00/14/52/573001452.db2.gz QGOFENXTIKPEMU-UHFFFAOYSA-N 0 0 193.315 2.908 10 0 AFAERN CC(C)=CCCOC(=O)C(C)(C)F 1118456349 757685101 /nfs/dbraw/zinc/68/51/01/757685101.db2.gz DBDHDMZSKOUFQZ-UHFFFAOYSA-N 0 0 188.242 2.634 10 0 AFAERN CCCC(=O)c1cc(C)[nH]c1C 238245189 573006003 /nfs/dbraw/zinc/00/60/03/573006003.db2.gz LJAGWWXWWPSIPU-UHFFFAOYSA-N 0 0 165.236 2.614 10 0 AFAERN C[C@H]1C[C@H]1c1ccccc1O 113435761 573006051 /nfs/dbraw/zinc/00/60/51/573006051.db2.gz HPLMWABASMXOLX-IONNQARKSA-N 0 0 148.205 2.516 10 0 AFAERN CCCOC(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C 308472542 573006058 /nfs/dbraw/zinc/00/60/58/573006058.db2.gz JVSVTDASAWGHDG-KXUCPTDWSA-N 0 0 199.294 2.557 10 0 AFAERN C[C@H]1CNc2ccc(Cl)cc2N1 76887672 573011309 /nfs/dbraw/zinc/01/13/09/573011309.db2.gz GEZFTQLFZYMELZ-LURJTMIESA-N 0 0 182.654 2.566 10 0 AFAERN Cc1[nH]ccc1C(=O)O[C@@H](C)C(C)C 1118453013 757694979 /nfs/dbraw/zinc/69/49/79/757694979.db2.gz IXVAVNXIQYASQR-VIFPVBQESA-N 0 0 195.262 2.524 10 0 AFAERN Fc1cccc(-n2ccnc2Cl)c1 258217193 573011417 /nfs/dbraw/zinc/01/14/17/573011417.db2.gz YFAQJNXYXPNSEW-UHFFFAOYSA-N 0 0 196.612 2.665 10 0 AFAERN CCCCOC(=O)C1=CCCCC1 113547913 573011421 /nfs/dbraw/zinc/01/14/21/573011421.db2.gz DZBUWHDLTRVZLY-UHFFFAOYSA-N 0 0 182.263 2.830 10 0 AFAERN CCC[C@@H](C)C[C@H](O)c1coc(C)n1 308474376 573011442 /nfs/dbraw/zinc/01/14/42/573011442.db2.gz KMLVKGIPNSWPMO-KCJUWKMLSA-N 0 0 197.278 2.843 10 0 AFAERN CC/C=C\C(=O)NCCCC(C)C 308223840 573013079 /nfs/dbraw/zinc/01/30/79/573013079.db2.gz MHBFJGOYXOWLFA-YVMONPNESA-N 0 0 183.295 2.505 10 0 AFAERN CC(=O)C(C)(C)[C@H]1C=C(C)CC1 238252960 573013137 /nfs/dbraw/zinc/01/31/37/573013137.db2.gz RSCBZVMBGMZMNJ-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)c1coc(C)n1 308474379 573013141 /nfs/dbraw/zinc/01/31/41/573013141.db2.gz KMLVKGIPNSWPMO-LDYMZIIASA-N 0 0 197.278 2.843 10 0 AFAERN Oc1ccc(Cl)c(OC(F)F)c1 113661878 573016200 /nfs/dbraw/zinc/01/62/00/573016200.db2.gz RLQNRFCWVMPJTI-UHFFFAOYSA-N 0 0 194.564 2.647 10 0 AFAERN CCC(CC)Nc1[nH+]cc(C)cc1N 85425150 573016231 /nfs/dbraw/zinc/01/62/31/573016231.db2.gz KUBAPLUTGXFVCM-UHFFFAOYSA-N 0 0 193.294 2.573 10 0 AFAERN CC[C@H](NCC=C(C)C)C(F)(F)F 308479874 573016242 /nfs/dbraw/zinc/01/62/42/573016242.db2.gz MYJIGUKKEJYHMZ-QMMMGPOBSA-N 0 0 195.228 2.883 10 0 AFAERN Oc1cccc([C@@H]2CC[C@@H](F)C2)c1 259595411 573016247 /nfs/dbraw/zinc/01/62/47/573016247.db2.gz CWMXCVASUCGIRD-NXEZZACHSA-N 0 0 180.222 2.998 10 0 AFAERN CC1=C2CCCC[C@]23CC[C@H]1C3=O 238252374 573016260 /nfs/dbraw/zinc/01/62/60/573016260.db2.gz GBZFSZOPHNVKJL-SKDRFNHKSA-N 0 0 176.259 2.856 10 0 AFAERN CCC1CC([NH2+]Cc2ccco2)C1 308223812 573017307 /nfs/dbraw/zinc/01/73/07/573017307.db2.gz MGRFKGPJBIPFDJ-UHFFFAOYSA-N 0 0 179.263 2.558 10 0 AFAERN CCC[C@H](C)Nc1[nH+]cc(C)cc1N 85425159 573017388 /nfs/dbraw/zinc/01/73/88/573017388.db2.gz CXAJHCLXVWSOEX-VIFPVBQESA-N 0 0 193.294 2.573 10 0 AFAERN Nc1cc(Cl)nc2cc(F)ccc12 258222680 573017500 /nfs/dbraw/zinc/01/75/00/573017500.db2.gz YSJWNWBSEGAETL-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN Oc1ccc(OC(F)F)c(Cl)c1 113668227 573017737 /nfs/dbraw/zinc/01/77/37/573017737.db2.gz PRRLVTKJSQLXAM-UHFFFAOYSA-N 0 0 194.564 2.647 10 0 AFAERN Oc1ccc([C@H]2CC[C@H](F)C2)cc1 259595502 573019118 /nfs/dbraw/zinc/01/91/18/573019118.db2.gz CWPORNXUACGIHZ-UWVGGRQHSA-N 0 0 180.222 2.998 10 0 AFAERN CCCC[C@@H](O)[C@@H](CCCC)OC 308232320 573020801 /nfs/dbraw/zinc/02/08/01/573020801.db2.gz UBFPJYOXVCQGPN-GHMZBOCLSA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)=CCOC(=O)[C@@H](C)C(C)C 308225554 573020851 /nfs/dbraw/zinc/02/08/51/573020851.db2.gz DQSZISQHYOFYDM-JTQLQIEISA-N 0 0 184.279 2.788 10 0 AFAERN CCC/C=C\CCn1ccnc1C 308227183 573020860 /nfs/dbraw/zinc/02/08/60/573020860.db2.gz NIFCJLPWWBEYMQ-WAYWQWQTSA-N 0 0 178.279 2.938 10 0 AFAERN Cc1cc(Cl)cc(C[C@H](C)O)c1C 258228798 573020938 /nfs/dbraw/zinc/02/09/38/573020938.db2.gz VSMQDTIDBCBWJP-QMMMGPOBSA-N 0 0 198.693 2.880 10 0 AFAERN CC(C)c1nnc([C@@H]2C[C@@H]3C[C@@H]3C2)o1 1118899946 757722906 /nfs/dbraw/zinc/72/29/06/757722906.db2.gz ULAQTPQKTPRRNN-BRPSZJMVSA-N 0 0 192.262 2.707 10 0 AFAERN CC[C@@H](F)COc1ccccc1F 308225507 573023108 /nfs/dbraw/zinc/02/31/08/573023108.db2.gz MWCZLAQZCDEJPB-MRVPVSSYSA-N 0 0 186.201 2.953 10 0 AFAERN CCNC(=O)[C@]1(C)CC[C@@H](C(C)C)C1 238255777 573023133 /nfs/dbraw/zinc/02/31/33/573023133.db2.gz SKGRFVLPIKJWLO-ZYHUDNBSSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@@H](C)[C@](C)(O)c1cnccc1C 85440138 573023140 /nfs/dbraw/zinc/02/31/40/573023140.db2.gz LKRONWPKGCEHIE-PWSUYJOCSA-N 0 0 193.290 2.644 10 0 AFAERN COC1(C(=O)[C@H](C)CC(C)C)CCC1 308484671 573023183 /nfs/dbraw/zinc/02/31/83/573023183.db2.gz OHZABKOBOZHTSA-SNVBAGLBSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)[C@@H](C)C(=O)OCCC1CC1 308226673 573023203 /nfs/dbraw/zinc/02/32/03/573023203.db2.gz DZSIHWOEEXHPSD-SECBINFHSA-N 0 0 184.279 2.622 10 0 AFAERN CCOC(=O)[C@@]1(C)CC12CCCC2 259596703 573023266 /nfs/dbraw/zinc/02/32/66/573023266.db2.gz LTTNLFJMIPMEDF-SNVBAGLBSA-N 0 0 182.263 2.520 10 0 AFAERN CC(C)=CCOC(=O)[C@H](C)C(C)C 308225557 573023273 /nfs/dbraw/zinc/02/32/73/573023273.db2.gz DQSZISQHYOFYDM-SNVBAGLBSA-N 0 0 184.279 2.788 10 0 AFAERN Cc1cc(Cl)cc(C[C@@H](C)O)c1C 258228795 573023308 /nfs/dbraw/zinc/02/33/08/573023308.db2.gz VSMQDTIDBCBWJP-MRVPVSSYSA-N 0 0 198.693 2.880 10 0 AFAERN CCC(=O)C[C@H]1CC[C@](C)(O)C1(C)C 113685546 573023438 /nfs/dbraw/zinc/02/34/38/573023438.db2.gz COQPXBJIRFFBKP-SKDRFNHKSA-N 0 0 198.306 2.543 10 0 AFAERN CC/C=C\COC(=O)/C(C)=C/CC 308478216 573026090 /nfs/dbraw/zinc/02/60/90/573026090.db2.gz MOJDBTZDGUIWHD-VAAURPRASA-N 0 0 182.263 2.852 10 0 AFAERN C[C@H]1CCC[C@@H](CC(=O)CCCO)C1 308477540 573026109 /nfs/dbraw/zinc/02/61/09/573026109.db2.gz JYUOFXUSSUTELO-WDEREUQCSA-N 0 0 198.306 2.544 10 0 AFAERN Nc1cccc(-c2cscc2N)c1 258229403 573026120 /nfs/dbraw/zinc/02/61/20/573026120.db2.gz YKCBUBQPNPUADP-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN COCCCCC(=O)c1ccsc1 308229141 573026134 /nfs/dbraw/zinc/02/61/34/573026134.db2.gz SEKVMEADBYOPAI-UHFFFAOYSA-N 0 0 198.287 2.748 10 0 AFAERN Cc1ccc(-c2ccncc2N)cc1 82393237 573026157 /nfs/dbraw/zinc/02/61/57/573026157.db2.gz XTIQWKWPUVBSSQ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC[C@@H](C)CCOc1cc[nH]c(=O)c1 393655433 573026196 /nfs/dbraw/zinc/02/61/96/573026196.db2.gz HSTNXJRSDTZMAO-SECBINFHSA-N 0 0 195.262 2.602 10 0 AFAERN CCOC(=O)[C@]1(C)CC12CCCC2 259596698 573026248 /nfs/dbraw/zinc/02/62/48/573026248.db2.gz LTTNLFJMIPMEDF-JTQLQIEISA-N 0 0 182.263 2.520 10 0 AFAERN CC/C=C(/C)C(=O)OC/C=C/CC 308478215 573026267 /nfs/dbraw/zinc/02/62/67/573026267.db2.gz MOJDBTZDGUIWHD-QDJLDCPTSA-N 0 0 182.263 2.852 10 0 AFAERN O=CSc1ccc(Cl)s1 259313265 573026292 /nfs/dbraw/zinc/02/62/92/573026292.db2.gz VLBHSOJLQKYOGJ-UHFFFAOYSA-N 0 0 178.665 2.684 10 0 AFAERN CCCCC[C@H](O)[C@H]1CCC=CO1 308228338 573026298 /nfs/dbraw/zinc/02/62/98/573026298.db2.gz ROXDIFVBUKCUJT-WDEREUQCSA-N 0 0 184.279 2.620 10 0 AFAERN CC(=O)[C@@]1(C)C=C(C)CCC1 238256159 573031538 /nfs/dbraw/zinc/03/15/38/573031538.db2.gz HCLURTLSOLUXOK-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CCNc1n[nH]cc1-c1ccccc1 238256720 573031545 /nfs/dbraw/zinc/03/15/45/573031545.db2.gz QGNQXSIWRHFAMJ-UHFFFAOYSA-N 0 0 187.246 2.509 10 0 AFAERN Cc1cc([C@H](C)O)c(Cl)cc1F 87974240 573031548 /nfs/dbraw/zinc/03/15/48/573031548.db2.gz HLQYXEOJYSSMFN-LURJTMIESA-N 0 0 188.629 2.841 10 0 AFAERN CC(=O)CC(C)(C)c1cnccc1C 85442699 573032365 /nfs/dbraw/zinc/03/23/65/573032365.db2.gz NKIZVEXRUDFIKJ-UHFFFAOYSA-N 0 0 191.274 2.647 10 0 AFAERN CC(C)Cc1cscc1N 82406524 573032452 /nfs/dbraw/zinc/03/24/52/573032452.db2.gz KDMKFZTVJCGKCG-UHFFFAOYSA-N 0 0 155.266 2.529 10 0 AFAERN Cc1ccncc1C(=O)C(C)(C)C 85440802 573032475 /nfs/dbraw/zinc/03/24/75/573032475.db2.gz DOBCZWGODDLBGG-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN CC/C=C/c1ccc(N)cc1 104586197 573039214 /nfs/dbraw/zinc/03/92/14/573039214.db2.gz HFUXPUQNJCIMQD-ONEGZZNKSA-N 0 0 147.221 2.692 10 0 AFAERN Oc1ccc2c(c1)CCCCS2 113919058 573041764 /nfs/dbraw/zinc/04/17/64/573041764.db2.gz GPJAACTVXYGJNZ-UHFFFAOYSA-N 0 0 180.272 2.821 10 0 AFAERN CCC[C@@H](C)c1c[nH]c(=S)[nH]1 238260481 573041809 /nfs/dbraw/zinc/04/18/09/573041809.db2.gz SGQNPKMZMZQEQY-ZCFIWIBFSA-N 0 0 170.281 2.602 10 0 AFAERN Cc1cc(F)cc(NCCCF)c1 88025136 573041836 /nfs/dbraw/zinc/04/18/36/573041836.db2.gz VBRVDFLCBVWPDQ-UHFFFAOYSA-N 0 0 185.217 2.906 10 0 AFAERN COc1cc(N)cc2cccc(C)c12 257933308 573041923 /nfs/dbraw/zinc/04/19/23/573041923.db2.gz TWDXIPIHGDWEIK-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN C[C@@H](F)Oc1cccc2c1CCCN2 257934220 573041964 /nfs/dbraw/zinc/04/19/64/573041964.db2.gz HKLCPPFZNGICTL-QMMMGPOBSA-N 0 0 195.237 2.739 10 0 AFAERN O[C@H]1c2ccccc2C[C@H]1CCCF 88026715 573042009 /nfs/dbraw/zinc/04/20/09/573042009.db2.gz WNGCWNRHWBQUQY-ZYHUDNBSSA-N 0 0 194.249 2.642 10 0 AFAERN COc1ccsc1C(=O)[C@@H]1C[C@@H]1C 88029008 573042042 /nfs/dbraw/zinc/04/20/42/573042042.db2.gz DIWOIJPXHGBWIL-NKWVEPMBSA-N 0 0 196.271 2.595 10 0 AFAERN O[C@H]1CCCCC[C@@H]1CCCF 88026710 573042063 /nfs/dbraw/zinc/04/20/63/573042063.db2.gz ZVXOUMYPFJWEAV-ZJUUUORDSA-N 0 0 174.259 2.677 10 0 AFAERN Cc1cc(NCCCF)ccc1F 88024895 573042096 /nfs/dbraw/zinc/04/20/96/573042096.db2.gz HRLBWHOJWFECIT-UHFFFAOYSA-N 0 0 185.217 2.906 10 0 AFAERN CCC(C)(C)C(=[NH2+])Nc1cccnc1 238250325 573042120 /nfs/dbraw/zinc/04/21/20/573042120.db2.gz KKHCWLANXJRGHT-UHFFFAOYSA-N 0 0 191.278 2.907 10 0 AFAERN C[C@H]1CCC(=O)[C@H](CCCF)C1 88025992 573042166 /nfs/dbraw/zinc/04/21/66/573042166.db2.gz CZXFNBGVMFGYHX-DTWKUNHWSA-N 0 0 172.243 2.741 10 0 AFAERN COc1ccsc1C(=O)C1CCC1 88029030 573042185 /nfs/dbraw/zinc/04/21/85/573042185.db2.gz HJBPNFVZKDBQTC-UHFFFAOYSA-N 0 0 196.271 2.740 10 0 AFAERN Cc1cccc(NCCCF)c1 88024300 573042196 /nfs/dbraw/zinc/04/21/96/573042196.db2.gz RFLDIRBDNYIMKC-UHFFFAOYSA-N 0 0 167.227 2.767 10 0 AFAERN CC[C@H](O)[C@@H](C)CC=C(C)C 82448377 573042205 /nfs/dbraw/zinc/04/22/05/573042205.db2.gz VIZNHPNZAZKEPF-UWVGGRQHSA-N 0 0 156.269 2.750 10 0 AFAERN CSCc1cc2cccc(N)c2[nH]1 257933536 573042239 /nfs/dbraw/zinc/04/22/39/573042239.db2.gz UBTVCKGCUDCAAV-UHFFFAOYSA-N 0 0 192.287 2.613 10 0 AFAERN COc1ccsc1C(=O)[C@H]1C[C@H]1C 88029005 573042249 /nfs/dbraw/zinc/04/22/49/573042249.db2.gz DIWOIJPXHGBWIL-RQJHMYQMSA-N 0 0 196.271 2.595 10 0 AFAERN CC[C@H](O)[C@@H](C)Cc1ccccc1F 82448437 573042281 /nfs/dbraw/zinc/04/22/81/573042281.db2.gz NHFKJULGPZYMNW-CABZTGNLSA-N 0 0 196.265 2.775 10 0 AFAERN FCCCNc1ccc(F)cc1F 88024416 573042327 /nfs/dbraw/zinc/04/23/27/573042327.db2.gz MWORLRMGTDXADZ-UHFFFAOYSA-N 0 0 189.180 2.736 10 0 AFAERN Cc1cccc([C@@H]2CCCCC[NH2+]2)n1 88039980 573049802 /nfs/dbraw/zinc/04/98/02/573049802.db2.gz LZGIAUHBXSERGU-NSHDSACASA-N 0 0 190.290 2.595 10 0 AFAERN CCC(C)(C)Oc1nc(C)ccc1N 88035793 573049832 /nfs/dbraw/zinc/04/98/32/573049832.db2.gz MWVWMMFTJMLAPJ-UHFFFAOYSA-N 0 0 194.278 2.540 10 0 AFAERN CC1=CCCC(=O)[C@H]2CCC[C@@H]12 238257739 573049928 /nfs/dbraw/zinc/04/99/28/573049928.db2.gz FOZOJHWQJXBDCL-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@]1(COc2ccccc2Cl)CO1 85501608 573049940 /nfs/dbraw/zinc/04/99/40/573049940.db2.gz FIDZNVYQPZJDNJ-SNVBAGLBSA-N 0 0 198.649 2.508 10 0 AFAERN Cc1cc(C)c([C@@H](O)C2CC2)s1 88047877 573049945 /nfs/dbraw/zinc/04/99/45/573049945.db2.gz LBCSBFCGJFLPPI-VIFPVBQESA-N 0 0 182.288 2.808 10 0 AFAERN CCc1nc(C2CCC(C)CC2)n[nH]1 123518250 573050015 /nfs/dbraw/zinc/05/00/15/573050015.db2.gz BTMCIDVAZQFYOL-UHFFFAOYSA-N 0 0 193.294 2.661 10 0 AFAERN CC1=CCCC(=O)[C@@H]2CCC[C@H]12 238257709 573050061 /nfs/dbraw/zinc/05/00/61/573050061.db2.gz FOZOJHWQJXBDCL-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CC1(C)C(=O)C[C@H]1OC1CCCCC1 85504339 573050096 /nfs/dbraw/zinc/05/00/96/573050096.db2.gz MCYQDARHCQPDFZ-LLVKDONJSA-N 0 0 196.290 2.703 10 0 AFAERN Cc1ccc(N)c(SCC(C)C)n1 88035966 573050099 /nfs/dbraw/zinc/05/00/99/573050099.db2.gz JMRMEVCCZVDRJR-UHFFFAOYSA-N 0 0 196.319 2.720 10 0 AFAERN C=COC1C[C@H](C)C[C@@H](C)C1 85503762 573050189 /nfs/dbraw/zinc/05/01/89/573050189.db2.gz MBLNXNLEHBBILJ-RKDXNWHRSA-N 0 0 154.253 2.971 10 0 AFAERN CC(C)CO[C@@H]1CC(=O)C12CCCC2 85504791 573050197 /nfs/dbraw/zinc/05/01/97/573050197.db2.gz METMHPVZYCPFGV-LLVKDONJSA-N 0 0 196.290 2.561 10 0 AFAERN C=CO[C@@H]1CCC[C@H](C)C1 85503433 573050205 /nfs/dbraw/zinc/05/02/05/573050205.db2.gz SPAWSORQEJJNFQ-DTWKUNHWSA-N 0 0 140.226 2.725 10 0 AFAERN CC[C@H](O)c1cnc2ccsc2c1 88040383 573050211 /nfs/dbraw/zinc/05/02/11/573050211.db2.gz BFTXARLHHSPHEO-VIFPVBQESA-N 0 0 193.271 2.740 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1OC1CC(=O)C1 85504648 573050217 /nfs/dbraw/zinc/05/02/17/573050217.db2.gz MLQWBPVURBGDKX-SKDRFNHKSA-N 0 0 196.290 2.703 10 0 AFAERN C=COCCCC(C)C 85503421 573050239 /nfs/dbraw/zinc/05/02/39/573050239.db2.gz XMJQCVMNFPEJLN-UHFFFAOYSA-N 0 0 128.215 2.583 10 0 AFAERN CC[C@H]1[C@@H](C(=O)OC)C12CCCCC2 259599091 573052860 /nfs/dbraw/zinc/05/28/60/573052860.db2.gz LZGWFGFUQBASQA-UWVGGRQHSA-N 0 0 196.290 2.766 10 0 AFAERN CC[C@H](C)OC(=O)C[C@@H]1C=CCC1 308248734 573052861 /nfs/dbraw/zinc/05/28/61/573052861.db2.gz ZYPJIKDJMKWIHY-VHSXEESVSA-N 0 0 182.263 2.684 10 0 AFAERN CC1=CC[C@@]2(C)C(=O)CCC=C2O1 238259812 573052917 /nfs/dbraw/zinc/05/29/17/573052917.db2.gz GPVTZTKTSWZVQR-NSHDSACASA-N 0 0 178.231 2.564 10 0 AFAERN Nc1ccc(Cl)nc1-c1ccco1 114046823 573052924 /nfs/dbraw/zinc/05/29/24/573052924.db2.gz DBSDEBIKPSDSNL-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CNc1ccc(-c2ccc[nH]2)cc1 259319866 573052935 /nfs/dbraw/zinc/05/29/35/573052935.db2.gz RKFMCCHXTFYHRT-UHFFFAOYSA-N 0 0 172.231 2.723 10 0 AFAERN CCCC[N@H+](C)[C@@H](C)c1nccs1 308486952 573054891 /nfs/dbraw/zinc/05/48/91/573054891.db2.gz PNTLNAPOYOFFCT-VIFPVBQESA-N 0 0 198.335 2.936 10 0 AFAERN C/C=C/COc1cccc(Cl)n1 82460693 573054908 /nfs/dbraw/zinc/05/49/08/573054908.db2.gz JXNAQCJZMXAKPD-NSCUHMNNSA-N 0 0 183.638 2.690 10 0 AFAERN Fc1ccc2c(c1)NCC1(CCC1)N2 88049907 573054972 /nfs/dbraw/zinc/05/49/72/573054972.db2.gz OCXYFLHBDBCIKF-UHFFFAOYSA-N 0 0 192.237 2.586 10 0 AFAERN CCOc1cc2[nH]ccc2cc1OC 238273895 573054996 /nfs/dbraw/zinc/05/49/96/573054996.db2.gz GJCYFASERXMRFD-UHFFFAOYSA-N 0 0 191.230 2.575 10 0 AFAERN C[C@]1(C2CCCC2)CCCC1=O 141881828 573055205 /nfs/dbraw/zinc/05/52/05/573055205.db2.gz BZYBDDZDZRQEKS-LLVKDONJSA-N 0 0 166.264 2.936 10 0 AFAERN COc1cc(N)cc2c(C)cccc12 257938701 573061340 /nfs/dbraw/zinc/06/13/40/573061340.db2.gz URMDHTBSJAHGCN-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN CCCCC[C@H](C)Nc1c[nH]cn1 308244255 573061423 /nfs/dbraw/zinc/06/14/23/573061423.db2.gz UKQSZKMBBDYFCW-VIFPVBQESA-N 0 0 181.283 2.790 10 0 AFAERN CCNc1cc(-c2ccccc2)no1 238263583 573061450 /nfs/dbraw/zinc/06/14/50/573061450.db2.gz FICKMZXDDWRYOZ-UHFFFAOYSA-N 0 0 188.230 2.773 10 0 AFAERN CCOc1cc2cc(O)ccc2o1 238274087 573061467 /nfs/dbraw/zinc/06/14/67/573061467.db2.gz IPJZFXSCIRNBJT-UHFFFAOYSA-N 0 0 178.187 2.537 10 0 AFAERN CC[C@@H]1Cc2cc(C)ccc2C1=O 238273985 573061625 /nfs/dbraw/zinc/06/16/25/573061625.db2.gz QEBPYMZDEVMJKU-SECBINFHSA-N 0 0 174.243 2.760 10 0 AFAERN CCc1ccc(Cl)c2c1OCO2 238274548 573061660 /nfs/dbraw/zinc/06/16/60/573061660.db2.gz YZCMIJWBNGWCBS-UHFFFAOYSA-N 0 0 184.622 2.631 10 0 AFAERN CC[C@@H](C)CCc1cnoc1 238263504 573061675 /nfs/dbraw/zinc/06/16/75/573061675.db2.gz KWFMVEFHQOAXIO-MRVPVSSYSA-N 0 0 153.225 2.653 10 0 AFAERN CC/C=C\COC(=O)/C=C\CCC 308244788 573061689 /nfs/dbraw/zinc/06/16/89/573061689.db2.gz URLMFOSFCNTXBJ-VRHVFUOLSA-N 0 0 182.263 2.852 10 0 AFAERN CC1CCC([C@@H](O)c2ccc[nH]2)CC1 123541754 573061699 /nfs/dbraw/zinc/06/16/99/573061699.db2.gz PYQABWFHWGJSBU-RTYFJBAXSA-N 0 0 193.290 2.874 10 0 AFAERN C=C=C([C@@H](O)[C@@H](C)CC)[Si](C)(C)C 308242721 573061701 /nfs/dbraw/zinc/06/17/01/573061701.db2.gz ZQHMWCMNOKTDCI-ONGXEEELSA-N 0 0 198.382 2.982 10 0 AFAERN CC(=O)OCSC(C)(C)C(C)C 1119673777 757801392 /nfs/dbraw/zinc/80/13/92/757801392.db2.gz WEGOFKDHPVUKMD-UHFFFAOYSA-N 0 0 190.308 2.675 10 0 AFAERN COc1ccc2[nH]cc(Cl)c2c1 88077659 573065356 /nfs/dbraw/zinc/06/53/56/573065356.db2.gz PSUMJUDAKYMCRW-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN C=C=C([C@H](O)CC)C(C)(C)C 238265459 573065406 /nfs/dbraw/zinc/06/54/06/573065406.db2.gz HCSUBWNYFXIDLU-SECBINFHSA-N 0 0 154.253 2.515 10 0 AFAERN CCC[C@H](O)[C@H]1CC=CC[C@@H]1C 238264972 573065424 /nfs/dbraw/zinc/06/54/24/573065424.db2.gz VNPWEQKAXLSEOD-DCAQKATOSA-N 0 0 168.280 2.750 10 0 AFAERN Cc1cc2cc(C(C)(C)O)ccc2o1 257939349 573065437 /nfs/dbraw/zinc/06/54/37/573065437.db2.gz DLIQSGFGZYNDHU-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN C=CC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 1120458782 757807904 /nfs/dbraw/zinc/80/79/04/757807904.db2.gz AULMFNKWPYVKHK-NXEZZACHSA-N 0 0 195.306 2.598 10 0 AFAERN C=CC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 1120458792 757808386 /nfs/dbraw/zinc/80/83/86/757808386.db2.gz AULMFNKWPYVKHK-VHSXEESVSA-N 0 0 195.306 2.598 10 0 AFAERN CC[C@@]1(C)CCC[C@@H](CO)C1 238268245 573070657 /nfs/dbraw/zinc/07/06/57/573070657.db2.gz LLIXKZTVFWBWRV-ZJUUUORDSA-N 0 0 156.269 2.585 10 0 AFAERN C=CC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 1120458790 757809360 /nfs/dbraw/zinc/80/93/60/757809360.db2.gz AULMFNKWPYVKHK-UWVGGRQHSA-N 0 0 195.306 2.598 10 0 AFAERN C=CC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 1120458793 757809866 /nfs/dbraw/zinc/80/98/66/757809866.db2.gz AULMFNKWPYVKHK-ZJUUUORDSA-N 0 0 195.306 2.598 10 0 AFAERN CC[C@@H](O)c1ccc2cccnc2c1 88100665 573070715 /nfs/dbraw/zinc/07/07/15/573070715.db2.gz QDDDVMJDVDSUDJ-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN COc1cc2ccccc2c(C)n1 114287114 573070839 /nfs/dbraw/zinc/07/08/39/573070839.db2.gz OYRHPGPBJOZXOW-UHFFFAOYSA-N 0 0 173.215 2.552 10 0 AFAERN CC(=O)CCc1cccc2ncccc12 88107249 573071942 /nfs/dbraw/zinc/07/19/42/573071942.db2.gz HSIZQWXICFVBGF-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN CC[C@H](NN)c1ccccc1C(C)C 308490311 573071996 /nfs/dbraw/zinc/07/19/96/573071996.db2.gz QEOSRLACKAPHID-LBPRGKRZSA-N 0 0 192.306 2.724 10 0 AFAERN CCN(CC)c1cc(N)c(C)cc1C 114316688 573072034 /nfs/dbraw/zinc/07/20/34/573072034.db2.gz XDNZKXSSBKVMAT-UHFFFAOYSA-N 0 0 192.306 2.732 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@@]1(O)C1CC1 88132461 573073842 /nfs/dbraw/zinc/07/38/42/573073842.db2.gz JDITUXVWKXFFKF-CABZTGNLSA-N 0 0 182.307 2.974 10 0 AFAERN Fc1ccccc1Oc1ncco1 257940021 573073861 /nfs/dbraw/zinc/07/38/61/573073861.db2.gz VFARSAFHPNJWKA-UHFFFAOYSA-N 0 0 179.150 2.606 10 0 AFAERN CC[C@@]1(O)CCC(C)(C)C[C@H]1C 88132264 573073899 /nfs/dbraw/zinc/07/38/99/573073899.db2.gz HOUOTXXWWPXXDB-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCOC(=O)c1ccc(CC)c(C)c1 215041889 573073932 /nfs/dbraw/zinc/07/39/32/573073932.db2.gz LIECHZVREKMTOB-UHFFFAOYSA-N 0 0 192.258 2.734 10 0 AFAERN CC(C)c1nccn1COC(C)(C)C 308490281 573073949 /nfs/dbraw/zinc/07/39/49/573073949.db2.gz QDQSZTTZUXTSLY-UHFFFAOYSA-N 0 0 196.294 2.779 10 0 AFAERN CC[C@@H]1C(=O)c2ccccc2N[C@H]1C 238269427 573076670 /nfs/dbraw/zinc/07/66/70/573076670.db2.gz OZGNBPYJUFRQOY-IUCAKERBSA-N 0 0 189.258 2.710 10 0 AFAERN C[C@@H]1CC(C)(C)CC[C@@]1(O)C1CC1 88132459 573076680 /nfs/dbraw/zinc/07/66/80/573076680.db2.gz JDITUXVWKXFFKF-SKDRFNHKSA-N 0 0 182.307 2.974 10 0 AFAERN Nc1cccc(Cl)c1-c1ncco1 82515024 573076737 /nfs/dbraw/zinc/07/67/37/573076737.db2.gz LKTKVAFPAFVTPZ-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CC[C@H]1NC(=O)OC12CCCCCC2 238269262 573076738 /nfs/dbraw/zinc/07/67/38/573076738.db2.gz WVXWUIJEVAAWBD-SECBINFHSA-N 0 0 197.278 2.598 10 0 AFAERN CC[C@H](C)C(=O)OCC1CC=CC1 308251373 573076740 /nfs/dbraw/zinc/07/67/40/573076740.db2.gz BEYRBQZPKGJSOE-VIFPVBQESA-N 0 0 182.263 2.542 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@]1(O)C1CC1 88132457 573076745 /nfs/dbraw/zinc/07/67/45/573076745.db2.gz JDITUXVWKXFFKF-JOYOIKCWSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1CC(C)(C)CC[C@]1(C)O 88132397 573076835 /nfs/dbraw/zinc/07/68/35/573076835.db2.gz BRWDICFATDIMIX-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@@H](C)[C@@H](NN)c1cccs1 128602506 573076842 /nfs/dbraw/zinc/07/68/42/573076842.db2.gz GSUVLVLLTIWOLU-PSASIEDQSA-N 0 0 198.335 2.545 10 0 AFAERN CC(C)[C@@H](C)[C@H](NN)c1cccs1 128602039 573076873 /nfs/dbraw/zinc/07/68/73/573076873.db2.gz GSUVLVLLTIWOLU-SCZZXKLOSA-N 0 0 198.335 2.545 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](CC1CCC1)NN 308491231 573076915 /nfs/dbraw/zinc/07/69/15/573076915.db2.gz QWRFZGVIXSSTPK-ZYHUDNBSSA-N 0 0 198.354 2.691 10 0 AFAERN CC(C)C(c1nc(C=O)c[nH]1)C(C)C 308490459 573080107 /nfs/dbraw/zinc/08/01/07/573080107.db2.gz QIUJCAVMUIKHGZ-UHFFFAOYSA-N 0 0 194.278 2.618 10 0 AFAERN CCC(C)(C)[C@@H](NN)c1cccs1 128625442 573080114 /nfs/dbraw/zinc/08/01/14/573080114.db2.gz HCEDEVYEMJBDIZ-VIFPVBQESA-N 0 0 198.335 2.689 10 0 AFAERN CC[C@H]1C[C@@]1(O)C1CCC(C)CC1 123584267 573083684 /nfs/dbraw/zinc/08/36/84/573083684.db2.gz YHRUJOAWSLRXLF-ADPBJBESSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)(O)SC1CCCCC1 259323538 573083782 /nfs/dbraw/zinc/08/37/82/573083782.db2.gz WIAWGPILAJXYQE-UHFFFAOYSA-N 0 0 174.309 2.781 10 0 AFAERN CC1(CC(=O)OC2(C)CCC2)CC1 308253365 573083799 /nfs/dbraw/zinc/08/37/99/573083799.db2.gz CNARPHFKLCCTTH-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CCCCn1c(C)c[nH]c1=S 88145797 573083848 /nfs/dbraw/zinc/08/38/48/573083848.db2.gz AYUBVIKTYNTNTB-UHFFFAOYSA-N 0 0 170.281 2.654 10 0 AFAERN CC(C)(C)COC(=O)[C@@]12CCC[C@@H]1C2 1122604744 757839441 /nfs/dbraw/zinc/83/94/41/757839441.db2.gz AXBMEWNGSJAGNN-BXKDBHETSA-N 0 0 196.290 2.766 10 0 AFAERN C/C(=C/C(=O)OC(C)C)c1ccco1 1122511932 757839987 /nfs/dbraw/zinc/83/99/87/757839987.db2.gz BGEYPBANGNLURF-CLFYSBASSA-N 0 0 194.230 2.635 10 0 AFAERN C/C(=C\C(=O)OC(C)C)c1ccco1 1122511936 757840747 /nfs/dbraw/zinc/84/07/47/757840747.db2.gz BGEYPBANGNLURF-VQHVLOKHSA-N 0 0 194.230 2.635 10 0 AFAERN CC[C@H](C)n1c(C)c[nH]c1=S 88145889 573083894 /nfs/dbraw/zinc/08/38/94/573083894.db2.gz NFPXKDURKAFWJD-LURJTMIESA-N 0 0 170.281 2.825 10 0 AFAERN CCC[C@H]1CC=C[C@H]1C(C)=O 238272408 573083913 /nfs/dbraw/zinc/08/39/13/573083913.db2.gz AUPUJNNOMXWRHO-UWVGGRQHSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1c[nH]c(=S)n1[C@@H](C)C1CC1 88146110 573083960 /nfs/dbraw/zinc/08/39/60/573083960.db2.gz FBJSZZVWDAUQQT-ZETCQYMHSA-N 0 0 182.292 2.825 10 0 AFAERN C/C=C(/C)COC(=O)[C@@]12CCC[C@@H]1C2 1123129597 757844261 /nfs/dbraw/zinc/84/42/61/757844261.db2.gz HGSMCUDAAKVEGN-HSWQGUFNSA-N 0 0 194.274 2.686 10 0 AFAERN C/C=C(/C)COC(=O)C1(C)CC=CC1 1123028806 757844598 /nfs/dbraw/zinc/84/45/98/757844598.db2.gz DJESHCLVPWVKCH-WMZJFQQLSA-N 0 0 194.274 2.852 10 0 AFAERN CCC(=O)O[C@@H](CC)C1CCC1 1123022999 757844991 /nfs/dbraw/zinc/84/49/91/757844991.db2.gz LCQCHSKHROJZBB-VIFPVBQESA-N 0 0 170.252 2.518 10 0 AFAERN O=C(OC[C@@H]1CC12CCC2)C1CCC1 1123116418 757845690 /nfs/dbraw/zinc/84/56/90/757845690.db2.gz IXGQHTSQGWBIRJ-JTQLQIEISA-N 0 0 194.274 2.520 10 0 AFAERN O=C(OC[C@H]1CC12CCC2)C1CCC1 1123116420 757845797 /nfs/dbraw/zinc/84/57/97/757845797.db2.gz IXGQHTSQGWBIRJ-SNVBAGLBSA-N 0 0 194.274 2.520 10 0 AFAERN C/C=C(\C)COC(=O)C1(C)CC=CC1 1123028804 757846012 /nfs/dbraw/zinc/84/60/12/757846012.db2.gz DJESHCLVPWVKCH-ONNFQVAWSA-N 0 0 194.274 2.852 10 0 AFAERN C/C=C(\C)COC(=O)[C@@]12CCC[C@@H]1C2 1123129598 757846028 /nfs/dbraw/zinc/84/60/28/757846028.db2.gz HGSMCUDAAKVEGN-ZWAIMYQESA-N 0 0 194.274 2.686 10 0 AFAERN CCC(=O)O[C@H](CC)C1CCC1 1123022998 757846232 /nfs/dbraw/zinc/84/62/32/757846232.db2.gz LCQCHSKHROJZBB-SECBINFHSA-N 0 0 170.252 2.518 10 0 AFAERN CCOC(=O)NC1(C)CCC(C)CC1 238272645 573084094 /nfs/dbraw/zinc/08/40/94/573084094.db2.gz LFXQQIYUQZHYOW-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CC(C)[C@@H](C)OC(=O)C1(C)CCC1 308252477 573084113 /nfs/dbraw/zinc/08/41/13/573084113.db2.gz IJXQWFHAXNIXRO-SECBINFHSA-N 0 0 184.279 2.764 10 0 AFAERN CCC(=O)OC[C@@]12CCCC[C@@H]1C2 1123223609 757847099 /nfs/dbraw/zinc/84/70/99/757847099.db2.gz GGGLYEVXTHQLOC-KOLCDFICSA-N 0 0 182.263 2.520 10 0 AFAERN CC1CCC([C@@]2(O)C[C@H]2C)CC1 123582316 573084126 /nfs/dbraw/zinc/08/41/26/573084126.db2.gz BDGZBYAVDGADKV-VGRIYTJTSA-N 0 0 168.280 2.584 10 0 AFAERN CC(C)C(=O)OC[C@]12CCCC[C@H]1C2 1123224784 757847576 /nfs/dbraw/zinc/84/75/76/757847576.db2.gz KGWVGYZTRHOZKA-CMPLNLGQSA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)C(=O)OC[C@@]12CCCC[C@@H]1C2 1123224789 757847632 /nfs/dbraw/zinc/84/76/32/757847632.db2.gz KGWVGYZTRHOZKA-PWSUYJOCSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@H](OC(=O)CC(C)(C)C)C(F)F 308252766 573084172 /nfs/dbraw/zinc/08/41/72/573084172.db2.gz IPKBLJJTCMUNOS-LURJTMIESA-N 0 0 194.221 2.619 10 0 AFAERN CCC[C@H]1CC=C[C@@H]1C(C)=O 238272304 573084187 /nfs/dbraw/zinc/08/41/87/573084187.db2.gz AUPUJNNOMXWRHO-VHSXEESVSA-N 0 0 152.237 2.568 10 0 AFAERN CCC(=O)OC[C@]12CCCC[C@H]1C2 1123223606 757849017 /nfs/dbraw/zinc/84/90/17/757849017.db2.gz GGGLYEVXTHQLOC-GXSJLCMTSA-N 0 0 182.263 2.520 10 0 AFAERN CC[C@H](C)COC(=O)[C@@H]1CC1(C)C 308253404 573084207 /nfs/dbraw/zinc/08/42/07/573084207.db2.gz COKNSRMRTJYCMZ-IUCAKERBSA-N 0 0 184.279 2.622 10 0 AFAERN CCc1c[nH]c(=S)n1[C@H]1C[C@@H]1C 88146620 573087918 /nfs/dbraw/zinc/08/79/18/573087918.db2.gz OEMYBELLVPCLSO-XPUUQOCRSA-N 0 0 182.292 2.689 10 0 AFAERN Cc1c[nH]c(=S)n1[C@@H]1CC1(C)C 88146536 573087978 /nfs/dbraw/zinc/08/79/78/573087978.db2.gz XXJKJALTROYJPX-SSDOTTSWSA-N 0 0 182.292 2.825 10 0 AFAERN OC[C@@H]1C[C@@H]1c1ccc(C2CC2)cc1 88158329 573089763 /nfs/dbraw/zinc/08/97/63/573089763.db2.gz NAWSTZBQTAAYKA-QWHCGFSZSA-N 0 0 188.270 2.660 10 0 AFAERN Cc1ccc(N)c(-c2nc(C)co2)c1 82530115 573093234 /nfs/dbraw/zinc/09/32/34/573093234.db2.gz VNEVRNDXPPKHDK-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC1(C)CCCC[C@]12C[C@@H]2CO 88158956 573093900 /nfs/dbraw/zinc/09/39/00/573093900.db2.gz NBQCDONFBZAMQE-MWLCHTKSSA-N 0 0 168.280 2.585 10 0 AFAERN CCCCc1cnc2[nH]ccc2c1 238273532 573093925 /nfs/dbraw/zinc/09/39/25/573093925.db2.gz BENFHMSLJVJVKP-UHFFFAOYSA-N 0 0 174.247 2.906 10 0 AFAERN CC[C@@H]1CCC[C@]2(C[C@@H]2CO)C1 88158617 573093927 /nfs/dbraw/zinc/09/39/27/573093927.db2.gz RCZNAOMJUTWANR-GMTAPVOTSA-N 0 0 168.280 2.585 10 0 AFAERN CC[C@@]1(CC(C)C)CCCCC(=O)N1 238275629 573093933 /nfs/dbraw/zinc/09/39/33/573093933.db2.gz BSNMBAMQZIEPMY-LBPRGKRZSA-N 0 0 197.322 2.872 10 0 AFAERN Oc1cccc(C2=CCSC2)c1 257943363 573093942 /nfs/dbraw/zinc/09/39/42/573093942.db2.gz VHWNSFNTOMXWBC-UHFFFAOYSA-N 0 0 178.256 2.522 10 0 AFAERN CC/C=C\COC(=O)c1cccs1 308500703 573093963 /nfs/dbraw/zinc/09/39/63/573093963.db2.gz WOCQWHWYOPSCBE-ARJAWSKDSA-N 0 0 196.271 2.871 10 0 AFAERN Cc1cc2c(cc1F)NC[C@@H](C)CN2 235700467 573094000 /nfs/dbraw/zinc/09/40/00/573094000.db2.gz GCXUGRKGQDJJNK-ZETCQYMHSA-N 0 0 194.253 2.608 10 0 AFAERN Cc1ccc([C@]2(C)C[C@@H]2CO)c(C)c1 88158645 573094021 /nfs/dbraw/zinc/09/40/21/573094021.db2.gz OTOCCGGWNOKOOR-DGCLKSJQSA-N 0 0 190.286 2.573 10 0 AFAERN C[C@]1(c2ccc(Cl)cc2)C[C@H]1CO 88158655 573094030 /nfs/dbraw/zinc/09/40/30/573094030.db2.gz WRYTVLWYSQZIOL-GXSJLCMTSA-N 0 0 196.677 2.610 10 0 AFAERN CC(C)CCCCNC(=O)[C@H]1C[C@H]1C 1126405402 757862198 /nfs/dbraw/zinc/86/21/98/757862198.db2.gz INHJKPNGUGZHEU-MNOVXSKESA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@H](C)C(=O)NCCCCC(C)C 1126334807 757862319 /nfs/dbraw/zinc/86/23/19/757862319.db2.gz VFGCMPOYHOKPGQ-NSHDSACASA-N 0 0 199.338 2.975 10 0 AFAERN CC(C)CCCCNC(=O)[C@@H]1C[C@H]1C 1126405401 757862672 /nfs/dbraw/zinc/86/26/72/757862672.db2.gz INHJKPNGUGZHEU-GHMZBOCLSA-N 0 0 197.322 2.585 10 0 AFAERN OC[C@H]1C[C@@H]1c1cccc(C2CC2)c1 88158858 573094063 /nfs/dbraw/zinc/09/40/63/573094063.db2.gz UBICXOBEZIOALT-CHWSQXEVSA-N 0 0 188.270 2.660 10 0 AFAERN CC[C@H](C)c1nc2c(N)cccc2[nH]1 82539405 573094066 /nfs/dbraw/zinc/09/40/66/573094066.db2.gz FHQVSWNFBMDGFB-ZETCQYMHSA-N 0 0 189.262 2.659 10 0 AFAERN CC(C)CCCCNC(=O)[C@@H]1C[C@@H]1C 1126405404 757863177 /nfs/dbraw/zinc/86/31/77/757863177.db2.gz INHJKPNGUGZHEU-WDEREUQCSA-N 0 0 197.322 2.585 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@]2(C[C@@H]2CO)C1 88158657 573094088 /nfs/dbraw/zinc/09/40/88/573094088.db2.gz SAUVOYMPZLSWDW-CKYFFXLPSA-N 0 0 182.307 2.831 10 0 AFAERN CC(C)CCCCNC(=O)[C@H]1C[C@@H]1C 1126405403 757863659 /nfs/dbraw/zinc/86/36/59/757863659.db2.gz INHJKPNGUGZHEU-QWRGUYRKSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@@H](C)C(=O)NCCCCC(C)C 1126334805 757863985 /nfs/dbraw/zinc/86/39/85/757863985.db2.gz VFGCMPOYHOKPGQ-LLVKDONJSA-N 0 0 199.338 2.975 10 0 AFAERN C[C@H]1C(=O)C[C@H]1c1ccccc1F 88177210 573100495 /nfs/dbraw/zinc/10/04/95/573100495.db2.gz CLAZCJLLZAEFAR-VXNVDRBHSA-N 0 0 178.206 2.518 10 0 AFAERN CC[C@H]1C=CCc2ccccc2N1 238278606 573100514 /nfs/dbraw/zinc/10/05/14/573100514.db2.gz QDWQTKSANPNMAB-NSHDSACASA-N 0 0 173.259 2.989 10 0 AFAERN CCCCC[C@@H](CC)C(=O)N(C)C#N 1128270475 757864929 /nfs/dbraw/zinc/86/49/29/757864929.db2.gz PIYCDNNSZOHZNS-SNVBAGLBSA-N 0 0 196.294 2.532 10 0 AFAERN Cc1cc(C)cc([C@H]2CC(=O)[C@@H]2C)c1 88177403 573100526 /nfs/dbraw/zinc/10/05/26/573100526.db2.gz UQBKJRIWJTUYKA-PWSUYJOCSA-N 0 0 188.270 2.996 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1c1ccccc1F 88177211 573100532 /nfs/dbraw/zinc/10/05/32/573100532.db2.gz CLAZCJLLZAEFAR-IONNQARKSA-N 0 0 178.206 2.518 10 0 AFAERN Cc1cc([C@H]2CC(=O)[C@H]2C)ccc1F 88177317 573100550 /nfs/dbraw/zinc/10/05/50/573100550.db2.gz BNRMFIYPTYMIDF-WPRPVWTQSA-N 0 0 192.233 2.827 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@@H]1c1nccs1 88178042 573100562 /nfs/dbraw/zinc/10/05/62/573100562.db2.gz JIJZXFDFDNSHSP-GMSGAONNSA-N 0 0 195.287 2.616 10 0 AFAERN CCCCC[C@H](CC)C(=O)N(C)C#N 1128270474 757866424 /nfs/dbraw/zinc/86/64/24/757866424.db2.gz PIYCDNNSZOHZNS-JTQLQIEISA-N 0 0 196.294 2.532 10 0 AFAERN CC[C@H](C)[C@H](O)C1CCCCC1 82561485 573100567 /nfs/dbraw/zinc/10/05/67/573100567.db2.gz YPYIDRGBYCDJDX-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1c1cc(F)ccc1F 88177045 573100572 /nfs/dbraw/zinc/10/05/72/573100572.db2.gz MJFDTOTUCXQREO-XPUUQOCRSA-N 0 0 196.196 2.657 10 0 AFAERN C[C@H](C(=O)NC1CC1)[C@H](C)C(C)(C)C 1135427902 757868127 /nfs/dbraw/zinc/86/81/27/757868127.db2.gz FAIPPJVXFCOPGW-IUCAKERBSA-N 0 0 197.322 2.583 10 0 AFAERN CCSC(CO)=C1CCCCC1 238279459 573105654 /nfs/dbraw/zinc/10/56/54/573105654.db2.gz QJBNJASVYLRUOA-UHFFFAOYSA-N 0 0 186.320 2.950 10 0 AFAERN C=C/C=C\CC(=O)Nc1ccccc1 1135495860 757868270 /nfs/dbraw/zinc/86/82/70/757868270.db2.gz YCLZRVHOSJOFGN-HYXAFXHYSA-N 0 0 187.242 2.757 10 0 AFAERN C=C/C=C\CC(=O)N(CCC)CCC 1135574668 757868673 /nfs/dbraw/zinc/86/86/73/757868673.db2.gz GJIUOPOYITVDEM-FPLPWBNLSA-N 0 0 195.306 2.767 10 0 AFAERN CC1(C)C(=O)[C@@H]2Cc3ccccc3[C@@H]21 88183402 573105662 /nfs/dbraw/zinc/10/56/62/573105662.db2.gz FLVLVNKQESSWKP-MNOVXSKESA-N 0 0 186.254 2.551 10 0 AFAERN C[C@@H]1c2ccsc2C(=O)[C@@H]1C 114643885 573105663 /nfs/dbraw/zinc/10/56/63/573105663.db2.gz KWGXHAKFXRZDCB-NTSWFWBYSA-N 0 0 166.245 2.684 10 0 AFAERN C[C@@H]([C@@H](C)C(=O)NC1CC1)C(C)(C)C 1135427736 757869054 /nfs/dbraw/zinc/86/90/54/757869054.db2.gz FAIPPJVXFCOPGW-BDAKNGLRSA-N 0 0 197.322 2.583 10 0 AFAERN C=C/C=C/CC(=O)N(CCC)CCC 1135574667 757869421 /nfs/dbraw/zinc/86/94/21/757869421.db2.gz GJIUOPOYITVDEM-BQYQJAHWSA-N 0 0 195.306 2.767 10 0 AFAERN C[C@@H](C(=O)NC1CC1)[C@@H](C)C(C)(C)C 1135427904 757869430 /nfs/dbraw/zinc/86/94/30/757869430.db2.gz FAIPPJVXFCOPGW-RKDXNWHRSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H]1C[C@@H]1c1ccc(O)cc1 238280270 573105698 /nfs/dbraw/zinc/10/56/98/573105698.db2.gz BAIFBLYFSKIDJK-KCJUWKMLSA-N 0 0 162.232 2.906 10 0 AFAERN C=C/C=C/CC(=O)Nc1ccccc1 1135495859 757869711 /nfs/dbraw/zinc/86/97/11/757869711.db2.gz YCLZRVHOSJOFGN-HWKANZROSA-N 0 0 187.242 2.757 10 0 AFAERN COc1ccc(C)cc1[C@H](C)C(C)=O 85662193 573105712 /nfs/dbraw/zinc/10/57/12/573105712.db2.gz XZLFEAKBAFGRDT-SECBINFHSA-N 0 0 192.258 2.696 10 0 AFAERN C[C@H](C(=O)NC1CC1)[C@@H](C)C(C)(C)C 1135427737 757870365 /nfs/dbraw/zinc/87/03/65/757870365.db2.gz FAIPPJVXFCOPGW-DTWKUNHWSA-N 0 0 197.322 2.583 10 0 AFAERN O[C@H](CC1CCCC1)c1cc[nH]c1 82564675 573105729 /nfs/dbraw/zinc/10/57/29/573105729.db2.gz YISSWTMXJVHAPY-LLVKDONJSA-N 0 0 179.263 2.628 10 0 AFAERN CCCc1c(Cl)ncnc1NCC 82565545 573105747 /nfs/dbraw/zinc/10/57/47/573105747.db2.gz AQYFSXJTNXGNRM-UHFFFAOYSA-N 0 0 199.685 2.514 10 0 AFAERN CC(=O)[C@@H](C)c1ccc(F)cc1 85662296 573105753 /nfs/dbraw/zinc/10/57/53/573105753.db2.gz YAVUGYPYWDGIBK-SSDOTTSWSA-N 0 0 166.195 2.518 10 0 AFAERN Cc1cccc(CC(=O)c2ccc[nH]2)c1 82564150 573105754 /nfs/dbraw/zinc/10/57/54/573105754.db2.gz IUPAGWGJGMQMJX-UHFFFAOYSA-N 0 0 199.253 2.749 10 0 AFAERN Cc1cccc(C(=O)c2cc[nH]c2)c1C 82564181 573105763 /nfs/dbraw/zinc/10/57/63/573105763.db2.gz ZQXAYRTXVREHPI-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN Cc1ccsc1C(=O)c1cc[nH]c1 82564220 573105778 /nfs/dbraw/zinc/10/57/78/573105778.db2.gz WMFHESGFJZDVPH-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN COc1ccc([C@@H](C)C(C)=O)cc1F 85662185 573105780 /nfs/dbraw/zinc/10/57/80/573105780.db2.gz CMTNSBYDKGFMQQ-ZETCQYMHSA-N 0 0 196.221 2.527 10 0 AFAERN CCCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C 1135763152 757872591 /nfs/dbraw/zinc/87/25/91/757872591.db2.gz CFICOEZNHJWWLI-UWVGGRQHSA-N 0 0 199.338 2.831 10 0 AFAERN CC[C@@H]1C(=O)[C@H]2Cc3ccccc3[C@@H]12 88183083 573105810 /nfs/dbraw/zinc/10/58/10/573105810.db2.gz XLKXYKCFMHYUEM-ZMLRMANQSA-N 0 0 186.254 2.551 10 0 AFAERN CCCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C 1135763151 757873528 /nfs/dbraw/zinc/87/35/28/757873528.db2.gz CFICOEZNHJWWLI-NXEZZACHSA-N 0 0 199.338 2.831 10 0 AFAERN CCCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1135763153 757873830 /nfs/dbraw/zinc/87/38/30/757873830.db2.gz CFICOEZNHJWWLI-VHSXEESVSA-N 0 0 199.338 2.831 10 0 AFAERN O=C(CC1CCCC1)c1cc[nH]c1 82564214 573105825 /nfs/dbraw/zinc/10/58/25/573105825.db2.gz FWAWCWAZBNMXKN-UHFFFAOYSA-N 0 0 177.247 2.778 10 0 AFAERN CCCNC(=O)[C@H](C)[C@H](C)C(C)(C)C 1135763154 757874328 /nfs/dbraw/zinc/87/43/28/757874328.db2.gz CFICOEZNHJWWLI-ZJUUUORDSA-N 0 0 199.338 2.831 10 0 AFAERN CC(=O)C1[C@@H](C)CCC[C@@H]1C 85662234 573105876 /nfs/dbraw/zinc/10/58/76/573105876.db2.gz AWYAQQOTEWIJLI-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H](C)Nc1ncnc(Cl)c1C 82565513 573105881 /nfs/dbraw/zinc/10/58/81/573105881.db2.gz OPDWONKEQNDIEN-ZCFIWIBFSA-N 0 0 199.685 2.649 10 0 AFAERN FC(F)(Cl)/C=C/Cl 114651117 573105897 /nfs/dbraw/zinc/10/58/97/573105897.db2.gz DYASWFAOCHPTRT-OWOJBTEDSA-N 0 0 146.951 2.571 10 0 AFAERN CCn1cnnc1C1CCC(C)CC1 123643513 573105922 /nfs/dbraw/zinc/10/59/22/573105922.db2.gz GEMYFGPQCYBGIL-UHFFFAOYSA-N 0 0 193.294 2.592 10 0 AFAERN O=C1C[C@H]2c3ccccc3CCC[C@H]12 88183018 573105932 /nfs/dbraw/zinc/10/59/32/573105932.db2.gz DDHMIYPDCNSLKI-RYUDHWBXSA-N 0 0 186.254 2.696 10 0 AFAERN CCc1ccc([C@H](C)C(C)=O)cc1 85662229 573105965 /nfs/dbraw/zinc/10/59/65/573105965.db2.gz JUJYJSVKXDEUPR-SECBINFHSA-N 0 0 176.259 2.942 10 0 AFAERN CCc1c(Cl)ncnc1NC(C)C 82565496 573105967 /nfs/dbraw/zinc/10/59/67/573105967.db2.gz JUMSSKMJAFHTKJ-UHFFFAOYSA-N 0 0 199.685 2.513 10 0 AFAERN Cc1ccc(C)c(C(=O)c2ccc[nH]2)c1 82564131 573105989 /nfs/dbraw/zinc/10/59/89/573105989.db2.gz HVUBBGAKJVTPGB-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN Cc1ccccc1C(=O)c1ccc[nH]1 82564089 573106001 /nfs/dbraw/zinc/10/60/01/573106001.db2.gz LXWLJGMQHZWSGD-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN COc1ccc(C)cc1[C@@H](C)C(C)=O 85662191 573106003 /nfs/dbraw/zinc/10/60/03/573106003.db2.gz XZLFEAKBAFGRDT-VIFPVBQESA-N 0 0 192.258 2.696 10 0 AFAERN Cc1ccc(C2[C@H](C)C(O)[C@H]2C)cc1 88184051 573106011 /nfs/dbraw/zinc/10/60/11/573106011.db2.gz NBFGWIBPNLPTQV-WPMGSTCASA-N 0 0 190.286 2.725 10 0 AFAERN Cc1ccc(NC2=NCCC2)c(F)c1 88225431 573109507 /nfs/dbraw/zinc/10/95/07/573109507.db2.gz CIVSVLXAPZNMIC-UHFFFAOYSA-N 0 0 192.237 2.738 10 0 AFAERN C[C@@H]1CC[C@H](c2ccccc2)O1 38220385 573109615 /nfs/dbraw/zinc/10/96/15/573109615.db2.gz MAPLHIRYLFONGA-MWLCHTKSSA-N 0 0 162.232 2.927 10 0 AFAERN CC(=O)[C@H](C)c1cc(F)ccc1F 85662347 573109624 /nfs/dbraw/zinc/10/96/24/573109624.db2.gz JBPXYVPSQSRQNB-LURJTMIESA-N 0 0 184.185 2.657 10 0 AFAERN C[C@H](O)C[C@@H]1CCCc2ccccc21 82583120 573112388 /nfs/dbraw/zinc/11/23/88/573112388.db2.gz MCNMMUNSZSMQKM-JQWIXIFHSA-N 0 0 190.286 2.877 10 0 AFAERN CCc1ccc(OC)c(SC)c1 238285530 573112396 /nfs/dbraw/zinc/11/23/96/573112396.db2.gz QQWJNOJCVHZMEJ-UHFFFAOYSA-N 0 0 182.288 2.980 10 0 AFAERN CC[C@@H]1CCc2ncnc(Cl)c2C1 114715554 573112440 /nfs/dbraw/zinc/11/24/40/573112440.db2.gz AJNASJJKWGHGCU-SSDOTTSWSA-N 0 0 196.681 2.645 10 0 AFAERN C[C@H](O)Cc1csc2ccccc12 82579834 573112465 /nfs/dbraw/zinc/11/24/65/573112465.db2.gz OPAGHXBYDHQRAZ-QMMMGPOBSA-N 0 0 192.283 2.825 10 0 AFAERN CC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 85662333 573112506 /nfs/dbraw/zinc/11/25/06/573112506.db2.gz DVCWUZOIQAFFFV-SFYZADRCSA-N 0 0 194.196 2.944 10 0 AFAERN C[C@@H](C(=O)C(C)(C)C)c1ccccn1 85666628 573112529 /nfs/dbraw/zinc/11/25/29/573112529.db2.gz GICSSGPAZLCOBK-SECBINFHSA-N 0 0 191.274 2.800 10 0 AFAERN C/C=C/Cn1c(C)nc2ccccc21 88190336 573112547 /nfs/dbraw/zinc/11/25/47/573112547.db2.gz JSRLJLCSXNRJEY-ONEGZZNKSA-N 0 0 186.258 2.921 10 0 AFAERN CC(=S)Nc1ccc(N(C)C)cc1 114727974 573112612 /nfs/dbraw/zinc/11/26/12/573112612.db2.gz NESGFBFTNLKZNW-UHFFFAOYSA-N 0 0 194.303 2.512 10 0 AFAERN CC[C@@H]1N=C(C)Nc2ccccc21 238286539 573112635 /nfs/dbraw/zinc/11/26/35/573112635.db2.gz VKYMCPWVIMMTIF-JTQLQIEISA-N 0 0 174.247 2.791 10 0 AFAERN CO[C@H]1CCCc2nc(Cl)ccc21 114736897 573113667 /nfs/dbraw/zinc/11/36/67/573113667.db2.gz PFCPSOHOCGBDTM-VIFPVBQESA-N 0 0 197.665 2.759 10 0 AFAERN CC(C)=CCC[C@H](C)N1CC(F)C1 308261855 573113673 /nfs/dbraw/zinc/11/36/73/573113673.db2.gz NQSIVQRWMMTEPZ-JTQLQIEISA-N 0 0 185.286 2.775 10 0 AFAERN CCSc1nc(C)cn1C(C)C 257944901 573113700 /nfs/dbraw/zinc/11/37/00/573113700.db2.gz WAZWCUVFCAIXJQ-UHFFFAOYSA-N 0 0 184.308 2.884 10 0 AFAERN CCc1c(C)[nH]c2c(N)cc(F)cc12 238288004 573117681 /nfs/dbraw/zinc/11/76/81/573117681.db2.gz WHKHYHYIAGFHOD-UHFFFAOYSA-N 0 0 192.237 2.760 10 0 AFAERN CC(C)=C[C@H](C)OC(=O)C1(C)CC1 308267229 573117715 /nfs/dbraw/zinc/11/77/15/573117715.db2.gz QGQBTLYNOIAUHF-VIFPVBQESA-N 0 0 182.263 2.684 10 0 AFAERN CC1(C)CNc2ccc(CF)cc2O1 257947157 573120531 /nfs/dbraw/zinc/12/05/31/573120531.db2.gz FEGAXNDTWMAFIO-UHFFFAOYSA-N 0 0 195.237 2.739 10 0 AFAERN C=Cc1ccc(OC)c(C)c1C 144071833 573120548 /nfs/dbraw/zinc/12/05/48/573120548.db2.gz STJQZTQQXPETSB-UHFFFAOYSA-N 0 0 162.232 2.955 10 0 AFAERN CCc1noc([C@H](C)CC(C)C)n1 308273936 573121628 /nfs/dbraw/zinc/12/16/28/573121628.db2.gz UPHPYPAYZKNQHL-MRVPVSSYSA-N 0 0 182.267 2.782 10 0 AFAERN CC[C@H]1C(=O)C[C@@H]2CC=CC[C@H]21 238280425 573121753 /nfs/dbraw/zinc/12/17/53/573121753.db2.gz UCPXKWYCVMAEFL-IVZWLZJFSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1c(C2C(C)(C)C2(C)C)noc1N 85709964 573121771 /nfs/dbraw/zinc/12/17/71/573121771.db2.gz IJBOCIHJSPKDFI-UHFFFAOYSA-N 0 0 194.278 2.715 10 0 AFAERN CCn1c(C)c(C)c2cccc(O)c21 238288782 573121789 /nfs/dbraw/zinc/12/17/89/573121789.db2.gz HQXMPHYOMKWAKA-UHFFFAOYSA-N 0 0 189.258 2.984 10 0 AFAERN C[C@H](O)[C@@H](F)CC1CCCCC1 257947577 573121920 /nfs/dbraw/zinc/12/19/20/573121920.db2.gz VTSAVMNDZUSYQK-WPRPVWTQSA-N 0 0 174.259 2.676 10 0 AFAERN C[C@H](O)c1cccc2c1SC[C@@H]2C 257950650 573125495 /nfs/dbraw/zinc/12/54/95/573125495.db2.gz FEUSZOPDTKGOHJ-YUMQZZPRSA-N 0 0 194.299 2.949 10 0 AFAERN CC[C@@H](O)[C@H]1C/C1=C\c1ccccc1 238280816 573125497 /nfs/dbraw/zinc/12/54/97/573125497.db2.gz QFOYOGJMZKMOEU-UAIPSJAGSA-N 0 0 188.270 2.861 10 0 AFAERN CC[C@@H](C)C(=C=CC(N)=O)[C@H](C)CC 308270198 573125511 /nfs/dbraw/zinc/12/55/11/573125511.db2.gz UZGUIMAIZDBZLZ-NXEZZACHSA-N 0 0 195.306 2.645 10 0 AFAERN CCSc1ccccc1[C@H](C)O 82616520 573128398 /nfs/dbraw/zinc/12/83/98/573128398.db2.gz GWNLFMZFWGDTSY-QMMMGPOBSA-N 0 0 182.288 2.852 10 0 AFAERN CC[C@@H](C[Si](C)(C)C)C(C)=O 238281778 573128441 /nfs/dbraw/zinc/12/84/41/573128441.db2.gz XMPFUYNDEVXFGY-VIFPVBQESA-N 0 0 172.344 2.940 10 0 AFAERN CC(C)(O)c1cccc2occc12 257952178 573134846 /nfs/dbraw/zinc/13/48/46/573134846.db2.gz FWURYDANURZNOE-UHFFFAOYSA-N 0 0 176.215 2.660 10 0 AFAERN CCOc1ccc2c(c1)C(=O)C[C@H]2C 82617879 573134872 /nfs/dbraw/zinc/13/48/72/573134872.db2.gz QARYBYNRYQSEDW-MRVPVSSYSA-N 0 0 190.242 2.775 10 0 AFAERN CC(C)C[C@H](C)C(=O)C[C@@H]1CCOC1 308503107 573146753 /nfs/dbraw/zinc/14/67/53/573146753.db2.gz XOXSGDRBFYNNHU-QWRGUYRKSA-N 0 0 198.306 2.664 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@H]1CCCCO1 308502819 573146760 /nfs/dbraw/zinc/14/67/60/573146760.db2.gz XJDTWVLMRYNBFR-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN CCc1c(C)ccc2oncc12 238290999 573146793 /nfs/dbraw/zinc/14/67/93/573146793.db2.gz PKYVCWUTSRINES-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CC[C@@H]1CCCC[C@H]1C(C)(C)O 82658036 573146794 /nfs/dbraw/zinc/14/67/94/573146794.db2.gz PURSYZDYADPJRP-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cnn(-c2ccc(F)cc2C)c1 82651009 573146886 /nfs/dbraw/zinc/14/68/86/573146886.db2.gz GECTUQZSBOOPGN-UHFFFAOYSA-N 0 0 190.221 2.628 10 0 AFAERN CC[C@]1(C)O[C@](C)(CC)c2nc[nH]c21 238291160 573148130 /nfs/dbraw/zinc/14/81/30/573148130.db2.gz AYAKRPFRMFZMOZ-PHIMTYICSA-N 0 0 194.278 2.690 10 0 AFAERN C/C=C/C=C/C(=O)OC[C@H](C)CC 308287519 573148368 /nfs/dbraw/zinc/14/83/68/573148368.db2.gz FDHSLNMVFCDGJZ-OUQACBRMSA-N 0 0 182.263 2.708 10 0 AFAERN CC(C)(C)C[C@H](O)c1cccnc1 82673898 573153850 /nfs/dbraw/zinc/15/38/50/573153850.db2.gz HUDDRGSEOCDIPW-JTQLQIEISA-N 0 0 179.263 2.551 10 0 AFAERN Cc1occc1C(=O)OC(C)(C)C 82671053 573153878 /nfs/dbraw/zinc/15/38/78/573153878.db2.gz ODCVSMCKOKTLLL-UHFFFAOYSA-N 0 0 182.219 2.543 10 0 AFAERN CC(C)Cc1ccc(N)c(F)c1 82667884 573153893 /nfs/dbraw/zinc/15/38/93/573153893.db2.gz MGNVWBWUHFPWRL-UHFFFAOYSA-N 0 0 167.227 2.606 10 0 AFAERN CCc1ccc([C@@H](O)C(C)C)o1 82677654 573157023 /nfs/dbraw/zinc/15/70/23/573157023.db2.gz GQTSEANCGJJHDX-JTQLQIEISA-N 0 0 168.236 2.531 10 0 AFAERN CCc1cc(C)cc(C)c1O 115052037 573157036 /nfs/dbraw/zinc/15/70/36/573157036.db2.gz MXHAHSBTOVFDBK-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN CC[C@@H](C=C(C)C)CC(C)=O 238293883 573157112 /nfs/dbraw/zinc/15/71/12/573157112.db2.gz GMGPNLGGDQAGHB-JTQLQIEISA-N 0 0 154.253 2.958 10 0 AFAERN CCC/C=C\CCN(C)CC(F)F 308506932 573157115 /nfs/dbraw/zinc/15/71/15/573157115.db2.gz ZSGADGHCPXPFAZ-WAYWQWQTSA-N 0 0 191.265 2.930 10 0 AFAERN CC[C@H]1CCCC[C@@H](C)C1=O 238292944 573157137 /nfs/dbraw/zinc/15/71/37/573157137.db2.gz HULACEBZWUTYLO-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN O[C@H](/C=C\c1ccccc1)C1CCC1 214092771 573157210 /nfs/dbraw/zinc/15/72/10/573157210.db2.gz NIJFADBSQYCWIE-ASCRHOAZSA-N 0 0 188.270 2.861 10 0 AFAERN CCCOC(=O)N[C@H](C)C1CCCC1 308506628 573157248 /nfs/dbraw/zinc/15/72/48/573157248.db2.gz ZFGQFUMASRGKOS-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN O[C@H](c1ccoc1)C(C1CC1)C1CC1 308506859 573157270 /nfs/dbraw/zinc/15/72/70/573157270.db2.gz ZIUGCZQRBJPWEP-GFCCVEGCSA-N 0 0 192.258 2.749 10 0 AFAERN C=CNC(=O)O[C@@H](C)c1ccccc1 115138922 573160009 /nfs/dbraw/zinc/16/00/09/573160009.db2.gz QSQOSGLXWQCEAN-VIFPVBQESA-N 0 0 191.230 2.617 10 0 AFAERN CCC[C@@H](O)[C@@H]1CC=CCC1 82678693 573160031 /nfs/dbraw/zinc/16/00/31/573160031.db2.gz URCBSMLGMBCTRZ-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@H](O)[C@H](C)c1ccccc1 82679721 573160076 /nfs/dbraw/zinc/16/00/76/573160076.db2.gz RQXRFZWBPIAXFL-PWSUYJOCSA-N 0 0 178.275 2.807 10 0 AFAERN Cc1ccc(C)n1N[C@H](C)C(C)C 85829998 573162790 /nfs/dbraw/zinc/16/27/90/573162790.db2.gz MAZJRLVLLOGDKF-LLVKDONJSA-N 0 0 180.295 2.693 10 0 AFAERN CC[C@@H]1C(=O)CC2=C1CCCC2 238297303 573162792 /nfs/dbraw/zinc/16/27/92/573162792.db2.gz WXPCFINVYKZMBO-VIFPVBQESA-N 0 0 164.248 2.856 10 0 AFAERN CC[C@H](C)NC(=O)C[C@@H](C)C(C)C 308285838 573162831 /nfs/dbraw/zinc/16/28/31/573162831.db2.gz DIEPTBQTDSDIPH-ZJUUUORDSA-N 0 0 185.311 2.583 10 0 AFAERN C[C@H]1CCC[C@@H](Nn2cccc2)C1 85828658 573162919 /nfs/dbraw/zinc/16/29/19/573162919.db2.gz PZUJFDLIBFSEPZ-WDEREUQCSA-N 0 0 178.279 2.610 10 0 AFAERN Cc1cccc(CNn2cccc2)c1 85828289 573163912 /nfs/dbraw/zinc/16/39/12/573163912.db2.gz PXXJUNOCSGXWGR-UHFFFAOYSA-N 0 0 186.258 2.540 10 0 AFAERN Cc1ccc([C@H](C)Nn2cccc2)o1 85828680 573163936 /nfs/dbraw/zinc/16/39/36/573163936.db2.gz NUDTWFJJWSBDPP-JTQLQIEISA-N 0 0 190.246 2.694 10 0 AFAERN Cc1ccc(C)n1N[C@H](C)C1(C)CC1 85829679 573163945 /nfs/dbraw/zinc/16/39/45/573163945.db2.gz XWHQEZIANHGTTC-LLVKDONJSA-N 0 0 192.306 2.837 10 0 AFAERN CN(c1ccc(F)cc1F)C1CC1 238296520 573163953 /nfs/dbraw/zinc/16/39/53/573163953.db2.gz SBJWFPOJLNAOFV-UHFFFAOYSA-N 0 0 183.201 2.563 10 0 AFAERN C[C@H]1CCC[C@H](C)C1Nn1cccc1 85828798 573163988 /nfs/dbraw/zinc/16/39/88/573163988.db2.gz XACYXGNFPJQVSV-QWRGUYRKSA-N 0 0 192.306 2.856 10 0 AFAERN CC[C@H]1CC[C@@H](Nn2cccc2)C1 85828975 573164055 /nfs/dbraw/zinc/16/40/55/573164055.db2.gz HAVOLWQDAHIGNE-WDEREUQCSA-N 0 0 178.279 2.610 10 0 AFAERN CC[C@@H]1CC[C@@H](Nn2cccc2)C1 85828970 573164108 /nfs/dbraw/zinc/16/41/08/573164108.db2.gz HAVOLWQDAHIGNE-GHMZBOCLSA-N 0 0 178.279 2.610 10 0 AFAERN CCc1ccc(C[C@](C)(O)CC)cc1 49962264 573164123 /nfs/dbraw/zinc/16/41/23/573164123.db2.gz WDKCHNHPHUFJGZ-CYBMUJFWSA-N 0 0 192.302 2.953 10 0 AFAERN COC(=O)[C@@H](C)[C@H](C)c1ccccc1 82200798 573166337 /nfs/dbraw/zinc/16/63/37/573166337.db2.gz RTBLGSDOURZOPN-UWVGGRQHSA-N 0 0 192.258 2.599 10 0 AFAERN CC[C@H]1C(C(C)(C)O)=CC[C@H]1C 238297518 573166442 /nfs/dbraw/zinc/16/64/42/573166442.db2.gz AORZPUMYQIXLSZ-RKDXNWHRSA-N 0 0 168.280 2.750 10 0 AFAERN CN(c1ccccc1Cl)C1CC1 238296769 573166470 /nfs/dbraw/zinc/16/64/70/573166470.db2.gz DMTAMGRTZGHGHT-UHFFFAOYSA-N 0 0 181.666 2.939 10 0 AFAERN CCC(CC)[C@@H](O)C/C=C\Cl 225505689 573169437 /nfs/dbraw/zinc/16/94/37/573169437.db2.gz NKMPNIGPBIRHDJ-PGBBXKAQSA-N 0 0 176.687 2.926 10 0 AFAERN CC(C)=CCn1ccc([C@H](C)O)c1 85834483 573169445 /nfs/dbraw/zinc/16/94/45/573169445.db2.gz CXHIUEHUIBQFQI-JTQLQIEISA-N 0 0 179.263 2.508 10 0 AFAERN C/C(=C\[C@H](C)O)CCc1ccccc1 219028645 573169463 /nfs/dbraw/zinc/16/94/63/573169463.db2.gz VJOLKYRPTFHHBQ-IIANPFDCSA-N 0 0 190.286 2.946 10 0 AFAERN CCc1ccc(CC[C@H](C)O)cc1 49962876 573170748 /nfs/dbraw/zinc/17/07/48/573170748.db2.gz QKNSZUOAYVUSCX-JTQLQIEISA-N 0 0 178.275 2.562 10 0 AFAERN Cc1ccc(-c2cnc(Cl)n2C)o1 258562809 573170774 /nfs/dbraw/zinc/17/07/74/573170774.db2.gz PJLIAPRJZZCDHD-UHFFFAOYSA-N 0 0 196.637 2.642 10 0 AFAERN CC[NH+](CC)Cc1ccc(C)cc1F 1141191834 757984585 /nfs/dbraw/zinc/98/45/85/757984585.db2.gz VXCNWLAVBPXBNG-UHFFFAOYSA-N 0 0 195.281 2.976 10 0 AFAERN C[C@]1(c2ccco2)CCCC(=O)C1 197169730 573177388 /nfs/dbraw/zinc/17/73/88/573177388.db2.gz SAHGEVSQKDJNGO-NSHDSACASA-N 0 0 178.231 2.680 10 0 AFAERN CC(=O)CCc1csc(C(C)C)n1 259360451 573182905 /nfs/dbraw/zinc/18/29/05/573182905.db2.gz QNSJPUKZCABFAO-UHFFFAOYSA-N 0 0 197.303 2.788 10 0 AFAERN CCC(C)(C)COC(=O)C=C(C)C 308294643 573182922 /nfs/dbraw/zinc/18/29/22/573182922.db2.gz JINAVACXOUJXSS-UHFFFAOYSA-N 0 0 184.279 2.932 10 0 AFAERN C=C/C=C\CC(=O)N(C)CCC(C)C 1141970829 757992302 /nfs/dbraw/zinc/99/23/02/757992302.db2.gz TWVGUOVAIVKMKP-SREVYHEPSA-N 0 0 195.306 2.623 10 0 AFAERN C=C/C=C/CC(=O)N(C)CCC(C)C 1141970830 757992510 /nfs/dbraw/zinc/99/25/10/757992510.db2.gz TWVGUOVAIVKMKP-VOTSOKGWSA-N 0 0 195.306 2.623 10 0 AFAERN Clc1cccc2c1N[C@@H]1C[C@H]21 257961806 573182966 /nfs/dbraw/zinc/18/29/66/573182966.db2.gz UJTXKBQBHANROK-HTRCEHHLSA-N 0 0 165.623 2.621 10 0 AFAERN Cc1ccc(N)c(NCC2(C)CC2)c1 235883199 573182991 /nfs/dbraw/zinc/18/29/91/573182991.db2.gz LLORBSPCSNANTH-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CCC(CC)c1cccc(CON)c1 257962684 573186644 /nfs/dbraw/zinc/18/66/44/573186644.db2.gz BZMFGQVLUFPUIX-UHFFFAOYSA-N 0 0 193.290 2.981 10 0 AFAERN CC[C@@H]1C=CCc2c(O)ccc(O)c21 238300170 573186813 /nfs/dbraw/zinc/18/68/13/573186813.db2.gz JZQXIUHSKNHWMO-MRVPVSSYSA-N 0 0 190.242 2.704 10 0 AFAERN CCc1c(F)ccc2oncc12 238299910 573186852 /nfs/dbraw/zinc/18/68/52/573186852.db2.gz FPXSFBIZHXJPDR-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN CC(=O)c1ccc2cc[nH]c2c1F 257963088 573186879 /nfs/dbraw/zinc/18/68/79/573186879.db2.gz HCCPCTCTGAUFTD-UHFFFAOYSA-N 0 0 177.178 2.510 10 0 AFAERN CCC(C)(C)c1ccc(N)c(C)c1N 115368068 573186946 /nfs/dbraw/zinc/18/69/46/573186946.db2.gz WABOBVQONKAELR-UHFFFAOYSA-N 0 0 192.306 2.847 10 0 AFAERN CSc1cccc2c1C(=O)CCC2 104683887 573187043 /nfs/dbraw/zinc/18/70/43/573187043.db2.gz WZPRIZKBTMAXQJ-UHFFFAOYSA-N 0 0 192.283 2.928 10 0 AFAERN CCc1c(CO)ccc2c1CCCC2 238300043 573188965 /nfs/dbraw/zinc/18/89/65/573188965.db2.gz CDOVLMIZSNAECJ-UHFFFAOYSA-N 0 0 190.286 2.620 10 0 AFAERN CCc1ccc(F)c(C2(O)CC2)c1F 257962593 573189018 /nfs/dbraw/zinc/18/90/18/573189018.db2.gz BYBAJFREBLRMKH-UHFFFAOYSA-N 0 0 198.212 2.509 10 0 AFAERN CC[C@H]1CCc2ccc(O)cc2N1 238306691 573189167 /nfs/dbraw/zinc/18/91/67/573189167.db2.gz MLIKYOGGLOWMRQ-VIFPVBQESA-N 0 0 177.247 2.529 10 0 AFAERN C/C=C(/C)C(=O)OC/C=C\C=C\C 308298667 573189180 /nfs/dbraw/zinc/18/91/80/573189180.db2.gz KXIOAGVWKLYECX-UGKIHMIESA-N 0 0 180.247 2.628 10 0 AFAERN CC[C@H](C)NC(=O)C1(C(C)C)CCC1 1142654770 758018191 /nfs/dbraw/zinc/01/81/91/758018191.db2.gz SYNFXIJOANMLDL-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN COc1ccc2ccc(F)c(C)c2n1 142120720 573189250 /nfs/dbraw/zinc/18/92/50/573189250.db2.gz SIKSDRJZKQWUFN-UHFFFAOYSA-N 0 0 191.205 2.691 10 0 AFAERN C/C=C\CN(CC(F)(F)F)C(C)C 308296371 573189312 /nfs/dbraw/zinc/18/93/12/573189312.db2.gz KENSKZLIJZILRD-PLNGDYQASA-N 0 0 195.228 2.835 10 0 AFAERN CC[C@@H](C)NC(=O)C1(C(C)C)CCC1 1142654771 758021581 /nfs/dbraw/zinc/02/15/81/758021581.db2.gz SYNFXIJOANMLDL-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN COC(=O)/C=C\[C@H](C)C1CCCCC1 308513928 573189372 /nfs/dbraw/zinc/18/93/72/573189372.db2.gz LYRFOJADKGSFKY-QROTZFDESA-N 0 0 196.290 2.932 10 0 AFAERN CCN(CC)C(=O)C1(C(C)C)CCC1 1142646241 758022966 /nfs/dbraw/zinc/02/29/66/758022966.db2.gz CTZBIYVOOCLCKW-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@H](C)[C@H]1C(=O)CC[C@@H]1C 238301266 573192558 /nfs/dbraw/zinc/19/25/58/573192558.db2.gz KBDVLFQSJOPVMJ-OYNCUSHFSA-N 0 0 154.253 2.648 10 0 AFAERN CCSc1ccc(O)cc1OC 238301800 573192614 /nfs/dbraw/zinc/19/26/14/573192614.db2.gz BWWQJQCMSHMLII-UHFFFAOYSA-N 0 0 184.260 2.513 10 0 AFAERN CCC(=O)OC[C@H]1C[C@]1(C)C(C)C 308301618 573192648 /nfs/dbraw/zinc/19/26/48/573192648.db2.gz MIBTZHCMGCXEIE-MWLCHTKSSA-N 0 0 184.279 2.622 10 0 AFAERN CCc1c(CO)ccc2ccccc12 142191596 573192653 /nfs/dbraw/zinc/19/26/53/573192653.db2.gz BCBMCPFNWZHNEI-UHFFFAOYSA-N 0 0 186.254 2.895 10 0 AFAERN CC[C@@H]1CC(=O)Cc2ccccc21 238301126 573192732 /nfs/dbraw/zinc/19/27/32/573192732.db2.gz HNCKPTYBALNYOG-SECBINFHSA-N 0 0 174.243 2.696 10 0 AFAERN CC1(Nc2cccc(F)n2)CCCC1 82785968 573193013 /nfs/dbraw/zinc/19/30/13/573193013.db2.gz IFEDQMZVZBWXAW-UHFFFAOYSA-N 0 0 194.253 2.965 10 0 AFAERN CCO[C@H](C(=O)C(C)(C)C)C(C)C 132039562 573193115 /nfs/dbraw/zinc/19/31/15/573193115.db2.gz CQHLKAXQEWMIQR-VIFPVBQESA-N 0 0 186.295 2.663 10 0 AFAERN CNc1ncc(-c2ccc(F)cc2)o1 258572958 573193128 /nfs/dbraw/zinc/19/31/28/573193128.db2.gz LLZZYQNNFSMFSW-UHFFFAOYSA-N 0 0 192.193 2.522 10 0 AFAERN Clc1cc(CN2CC=CC2)cs1 1142760388 758044635 /nfs/dbraw/zinc/04/46/35/758044635.db2.gz RDELXDPEGQFZDP-UHFFFAOYSA-N 0 0 199.706 2.773 10 0 AFAERN Cc1c(O)cnc2c(C)cccc12 257963694 573194026 /nfs/dbraw/zinc/19/40/26/573194026.db2.gz XPQSQBHTPSXHTD-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN CCc1c(OC)cc(C)c(C)c1O 238302326 573194056 /nfs/dbraw/zinc/19/40/56/573194056.db2.gz VYEHCLYNTPMXQF-UHFFFAOYSA-N 0 0 180.247 2.580 10 0 AFAERN Clc1cc(CN2CCC2)cs1 1142755508 758044557 /nfs/dbraw/zinc/04/45/57/758044557.db2.gz ANOVSUAWGXZKIP-UHFFFAOYSA-N 0 0 187.695 2.607 10 0 AFAERN Cc1n[nH]c(=S)n1C1(C)CCCC1 82785613 573194133 /nfs/dbraw/zinc/19/41/33/573194133.db2.gz VBKCLSAOZZADHV-UHFFFAOYSA-N 0 0 197.307 2.538 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1cnc(C)s1 233340936 573194184 /nfs/dbraw/zinc/19/41/84/573194184.db2.gz JEGOQMUBYNSLMH-OIBJUYFYSA-N 0 0 199.319 2.921 10 0 AFAERN Cc1ccc2c(c1)CC[C@@H](O)C2(C)C 259365356 573194258 /nfs/dbraw/zinc/19/42/58/573194258.db2.gz QGNCKCOLCXLGLR-GFCCVEGCSA-N 0 0 190.286 2.580 10 0 AFAERN CCC(=O)OC[C@@H]1C[C@]1(C)C(C)C 308301616 573194358 /nfs/dbraw/zinc/19/43/58/573194358.db2.gz MIBTZHCMGCXEIE-GXSJLCMTSA-N 0 0 184.279 2.622 10 0 AFAERN CCOC(Cc1ccc(C)o1)OCC 308303725 573194437 /nfs/dbraw/zinc/19/44/37/573194437.db2.gz ZKNLBMDUHCSSLC-UHFFFAOYSA-N 0 0 198.262 2.530 10 0 AFAERN Cc1cnc([C@@H]2CC2(C)C)s1 235945833 573198970 /nfs/dbraw/zinc/19/89/70/573198970.db2.gz NFNWUDBQWOPDRS-ZETCQYMHSA-N 0 0 167.277 2.965 10 0 AFAERN CC[C@@H](C)COC(=O)/C=C/C1CC1 308306441 573199066 /nfs/dbraw/zinc/19/90/66/573199066.db2.gz OSKPPJZQWWPAQD-XCODYQFDSA-N 0 0 182.263 2.542 10 0 AFAERN CCC(=O)[C@H]1C=C(C)CCC1 224850136 573199073 /nfs/dbraw/zinc/19/90/73/573199073.db2.gz SXIJKKINNLORSI-SECBINFHSA-N 0 0 152.237 2.712 10 0 AFAERN C/C=C(/C)C(=O)O[C@H](C)C=C(C)C 308304597 573199079 /nfs/dbraw/zinc/19/90/79/573199079.db2.gz NQBWSRBCICTAGD-ABRRARGCSA-N 0 0 182.263 2.851 10 0 AFAERN CC[C@@H](C)CC(=O)OCC1(C)CC1 308304898 573199095 /nfs/dbraw/zinc/19/90/95/573199095.db2.gz NVYJERSXRWGFLM-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CCSC(CCCO)SCC 90729744 573199214 /nfs/dbraw/zinc/19/92/14/573199214.db2.gz RJPCQIKQYZKBEZ-UHFFFAOYSA-N 0 0 194.365 2.591 10 0 AFAERN Cc1cccc2c([C@@H](C)O)coc12 257967855 573199219 /nfs/dbraw/zinc/19/92/19/573199219.db2.gz UCCGIGMUXXMDLC-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN C=Cc1c(C)cccc1NC 104697538 573199240 /nfs/dbraw/zinc/19/92/40/573199240.db2.gz NJHIXSPIMMNXGD-UHFFFAOYSA-N 0 0 147.221 2.680 10 0 AFAERN CCc1ccc(C)c([C@H](C)CO)c1 257966080 573199299 /nfs/dbraw/zinc/19/92/99/573199299.db2.gz HRWMIJDVEZIKKY-SNVBAGLBSA-N 0 0 178.275 2.653 10 0 AFAERN Cc1cccc(NC2CC=CC2)c1N 235930601 573199303 /nfs/dbraw/zinc/19/93/03/573199303.db2.gz LNENUPAUSFQEQD-UHFFFAOYSA-N 0 0 188.274 2.708 10 0 AFAERN Cc1cccc(NC2CCCC2)c1N 235930878 573202294 /nfs/dbraw/zinc/20/22/94/573202294.db2.gz KIGRXCGJWUUGOO-UHFFFAOYSA-N 0 0 190.290 2.932 10 0 AFAERN CC(=O)C[C@H](C)C(C)(C)C 82807069 573202371 /nfs/dbraw/zinc/20/23/71/573202371.db2.gz JKLGTCDGZXMSMS-ZETCQYMHSA-N 0 0 142.242 2.648 10 0 AFAERN CC(=O)C[C@@H](C)Cc1cccs1 82807104 573202502 /nfs/dbraw/zinc/20/25/02/573202502.db2.gz QZELXTSFCWLFFC-MRVPVSSYSA-N 0 0 182.288 2.906 10 0 AFAERN OC1(c2cccc(C3CCC3)c2)CC1 257968881 573202622 /nfs/dbraw/zinc/20/26/22/573202622.db2.gz CNQMHNZVQLXTPV-UHFFFAOYSA-N 0 0 188.270 2.936 10 0 AFAERN CC(C)c1nc(N)oc1-c1ccco1 258484424 573202651 /nfs/dbraw/zinc/20/26/51/573202651.db2.gz BSXDDUABWMQFGB-UHFFFAOYSA-N 0 0 192.218 2.640 10 0 AFAERN C[C@@H]1CSc2cc([C@@H](C)O)ccc21 257968757 573202737 /nfs/dbraw/zinc/20/27/37/573202737.db2.gz GIEOTMQPYDMABY-HTQZYQBOSA-N 0 0 194.299 2.949 10 0 AFAERN C[C@H](O)c1ccc2c(c1)SC[C@@H]2C 257968764 573202775 /nfs/dbraw/zinc/20/27/75/573202775.db2.gz GIEOTMQPYDMABY-YUMQZZPRSA-N 0 0 194.299 2.949 10 0 AFAERN Cc1ccc(Cl)cc1[C@@H](C)CO 257968867 573202783 /nfs/dbraw/zinc/20/27/83/573202783.db2.gz CNIPAAAHNFRREK-QMMMGPOBSA-N 0 0 184.666 2.744 10 0 AFAERN CCc1ccc(C)cc1C(C)(C)O 257968266 573202787 /nfs/dbraw/zinc/20/27/87/573202787.db2.gz HXZHYNCRYNUUAJ-UHFFFAOYSA-N 0 0 178.275 2.785 10 0 AFAERN CN(C)c1ccc(C(C)(C)C)cc1N 238311224 573202804 /nfs/dbraw/zinc/20/28/04/573202804.db2.gz KVPXPANKSIKGFR-UHFFFAOYSA-N 0 0 192.306 2.632 10 0 AFAERN C/C=C\CC(=O)CC(C)C 225915824 573204667 /nfs/dbraw/zinc/20/46/67/573204667.db2.gz GNYDIMCGEXTHLF-PLNGDYQASA-N 0 0 140.226 2.568 10 0 AFAERN CC(=O)C[C@H](C)C1CCCC1 82807338 573204720 /nfs/dbraw/zinc/20/47/20/573204720.db2.gz WWRDNBRUJBECOQ-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1c(CCCO)oc2ccccc12 259368868 573204760 /nfs/dbraw/zinc/20/47/60/573204760.db2.gz GHSQNJNIKNXMDJ-UHFFFAOYSA-N 0 0 190.242 2.666 10 0 AFAERN COc1cccc([C@H](C)CC(C)=O)c1 82807374 573204764 /nfs/dbraw/zinc/20/47/64/573204764.db2.gz NTXHYXUOJPGOHB-SECBINFHSA-N 0 0 192.258 2.778 10 0 AFAERN CC[C@H](O)[C@@H]1C[C@H]1c1ccccc1 238311996 573204769 /nfs/dbraw/zinc/20/47/69/573204769.db2.gz ILHPBYVXKVMIMM-TUAOUCFPSA-N 0 0 176.259 2.561 10 0 AFAERN CC[C@H](O)[C@@H]1C[C@@H](C)C=C[C@@H]1C 238311957 573204780 /nfs/dbraw/zinc/20/47/80/573204780.db2.gz DZOIKDXGHPBAQN-MMWGEVLESA-N 0 0 168.280 2.606 10 0 AFAERN CC[C@H](O)[C@@H]1C/C1=C\c1ccccc1 238312022 573204793 /nfs/dbraw/zinc/20/47/93/573204793.db2.gz QFOYOGJMZKMOEU-GTMNMCRUSA-N 0 0 188.270 2.861 10 0 AFAERN Cc1ccccc1CC1([C@H](C)O)CC1 235530183 573205046 /nfs/dbraw/zinc/20/50/46/573205046.db2.gz ZFEGZIRFZVIZMB-NSHDSACASA-N 0 0 190.286 2.699 10 0 AFAERN CC(=O)C[C@@H](C)C1CCCC1 82807341 573205183 /nfs/dbraw/zinc/20/51/83/573205183.db2.gz WWRDNBRUJBECOQ-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)Sc1ccc(N)c(F)c1 85935977 573207951 /nfs/dbraw/zinc/20/79/51/573207951.db2.gz ULSPEUOFISBXPM-UHFFFAOYSA-N 0 0 185.267 2.908 10 0 AFAERN Cc1ccc([C@H](C)C[C@@H](C)O)cc1 82812217 573207989 /nfs/dbraw/zinc/20/79/89/573207989.db2.gz OPNHPFQSAFEZGG-GHMZBOCLSA-N 0 0 178.275 2.869 10 0 AFAERN Cc1ncc([C@@H](O)C2CCCC2)s1 235952322 573208002 /nfs/dbraw/zinc/20/80/02/573208002.db2.gz OKFBMWLKZYDOSW-JTQLQIEISA-N 0 0 197.303 2.675 10 0 AFAERN OC1([C@@H]2CCCCS2)CCCC1 257964955 573208047 /nfs/dbraw/zinc/20/80/47/573208047.db2.gz JPVLGGACHZVZPS-VIFPVBQESA-N 0 0 186.320 2.577 10 0 AFAERN Nc1cccc([C@H]2CCC2(F)F)c1 259603511 573208094 /nfs/dbraw/zinc/20/80/94/573208094.db2.gz DGSHFAHJYHAZRW-SECBINFHSA-N 0 0 183.201 2.782 10 0 AFAERN C[C@H]1CC2CCC1CC2 115702874 573208104 /nfs/dbraw/zinc/20/81/04/573208104.db2.gz WNPVIRUJGYEGOJ-UEJVZZJDSA-N 0 0 124.227 2.833 10 0 AFAERN CC[C@@H](C)c1c[nH]c(C)c1 104709176 573208126 /nfs/dbraw/zinc/20/81/26/573208126.db2.gz NYSXGFKYUGUKRZ-SSDOTTSWSA-N 0 0 137.226 2.837 10 0 AFAERN C[C@@H](C[C@@H](C)O)C1CCCCC1 82811434 573208178 /nfs/dbraw/zinc/20/81/78/573208178.db2.gz LCWBIZXOSALLGR-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H](Cc1ccccc1)C[C@@H](C)O 82811355 573208309 /nfs/dbraw/zinc/20/83/09/573208309.db2.gz JJZJTXBPOSULJW-GHMZBOCLSA-N 0 0 178.275 2.636 10 0 AFAERN Cc1cccc([C@H](C)C[C@H](C)O)c1 82811695 573208416 /nfs/dbraw/zinc/20/84/16/573208416.db2.gz VSIGXXJSTORRJR-MNOVXSKESA-N 0 0 178.275 2.869 10 0 AFAERN CC[C@]12CCCC(=O)[C@H]1CC2 238313446 573208496 /nfs/dbraw/zinc/20/84/96/573208496.db2.gz IVTANCOUMALGRW-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@H](O)C[C@@H](C)c1ccc(F)cc1 82812213 573211537 /nfs/dbraw/zinc/21/15/37/573211537.db2.gz CNJYWTNRMJCZCD-BDAKNGLRSA-N 0 0 182.238 2.700 10 0 AFAERN Cc1ccc(N)c(SC(F)F)c1 85930974 573211598 /nfs/dbraw/zinc/21/15/98/573211598.db2.gz YDFGJYLZDVOXFR-UHFFFAOYSA-N 0 0 189.230 2.892 10 0 AFAERN CCC(=O)c1cccc(Cl)c1OC 115688960 573211609 /nfs/dbraw/zinc/21/16/09/573211609.db2.gz RENIPXOSCJWGQI-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN C[C@H](O)CC(C)(C)c1cccc(F)c1 82817058 573214228 /nfs/dbraw/zinc/21/42/28/573214228.db2.gz CTBKMMGQJBCVNV-VIFPVBQESA-N 0 0 196.265 2.874 10 0 AFAERN CCCc1nc([C@H](CC)CO)cs1 259380110 573214279 /nfs/dbraw/zinc/21/42/79/573214279.db2.gz RWIIFANYSPSXQX-MRVPVSSYSA-N 0 0 199.319 2.582 10 0 AFAERN CC[C@@]12CCCC(=O)[C@@H]1CCC2 238313902 573214280 /nfs/dbraw/zinc/21/42/80/573214280.db2.gz XDJCLNJQOKLEIU-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc(N)c(C)c(Cl)c1N(C)C 238306854 573214315 /nfs/dbraw/zinc/21/43/15/573214315.db2.gz NLGRXJINSZNUQP-UHFFFAOYSA-N 0 0 198.697 2.605 10 0 AFAERN CCOC(=O)NC1C[C@@H](C)C[C@H](C)C1 82828950 573214318 /nfs/dbraw/zinc/21/43/18/573214318.db2.gz LFMUCBCIHSRXBE-IUCAKERBSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)[C@@H](C)C1(O)CCCCC1 115765189 573214325 /nfs/dbraw/zinc/21/43/25/573214325.db2.gz CZSJQFLPJKEIFT-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@@H](O)c1ccc(C=O)cc1 238794446 573214379 /nfs/dbraw/zinc/21/43/79/573214379.db2.gz LOEQTVUDRUSYIX-GFCCVEGCSA-N 0 0 192.258 2.723 10 0 AFAERN CC[C@@H]1CCc2[nH]ccc2C1 104709864 573214400 /nfs/dbraw/zinc/21/44/00/573214400.db2.gz MKHNNEAQOCTZJZ-MRVPVSSYSA-N 0 0 149.237 2.530 10 0 AFAERN Cc1ccc2cc([C@@H](C)O)n(C)c2c1 257973777 573214425 /nfs/dbraw/zinc/21/44/25/573214425.db2.gz UPBOKVKYZVBUBO-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CCCc1nc([C@@H](CC)CO)cs1 259380113 573214484 /nfs/dbraw/zinc/21/44/84/573214484.db2.gz RWIIFANYSPSXQX-QMMMGPOBSA-N 0 0 199.319 2.582 10 0 AFAERN CCSc1ccsc1C=O 238306951 573214486 /nfs/dbraw/zinc/21/44/86/573214486.db2.gz QTKXSDAIDFMUCN-UHFFFAOYSA-N 0 0 172.274 2.673 10 0 AFAERN CC[C@H](CO)C1=CCCCCC1 238307048 573214583 /nfs/dbraw/zinc/21/45/83/573214583.db2.gz KDPJBQSVLFCBEK-SNVBAGLBSA-N 0 0 168.280 2.895 10 0 AFAERN F[C@H]1CNc2cccc(Cl)c21 257974537 573214644 /nfs/dbraw/zinc/21/46/44/573214644.db2.gz YXCOUCXAAWQVQN-LURJTMIESA-N 0 0 171.602 2.776 10 0 AFAERN CCc1c[nH]c2c(F)cc(O)cc12 238307943 573218098 /nfs/dbraw/zinc/21/80/98/573218098.db2.gz UQXYQRAWTJKAAX-UHFFFAOYSA-N 0 0 179.194 2.575 10 0 AFAERN C[C@@H]1CC(C(C)(C)O)C[C@@H](C)C1 82832991 573218111 /nfs/dbraw/zinc/21/81/11/573218111.db2.gz FBHUFRVYXCXHLB-IUCAKERBSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](C)Sc1cc(C)c(N)cn1 86003625 573218160 /nfs/dbraw/zinc/21/81/60/573218160.db2.gz GKIOSTLHLPUFIJ-QMMMGPOBSA-N 0 0 196.319 2.863 10 0 AFAERN CCn1ncc2cc(Cl)cc(F)c21 238308713 573218162 /nfs/dbraw/zinc/21/81/62/573218162.db2.gz BZYNGWFBZMPWOE-UHFFFAOYSA-N 0 0 198.628 2.849 10 0 AFAERN C[C@@H]1C[C@@H](C)CC(N)(C(F)(F)F)C1 82832255 573218214 /nfs/dbraw/zinc/21/82/14/573218214.db2.gz YEQJCFWLOOASKJ-RNFRBKRXSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@@H](CO)c1cccc2ccoc12 257974509 573218278 /nfs/dbraw/zinc/21/82/78/573218278.db2.gz IVCCAGDZRMGIJI-QMMMGPOBSA-N 0 0 176.215 2.529 10 0 AFAERN CC[C@H](O)C1C[C@@H](C)C[C@H](C)C1 82833116 573218326 /nfs/dbraw/zinc/21/83/26/573218326.db2.gz WMVLHYDPQOZPBH-QXEWZRGKSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1cc(F)c2cnoc2c1 238308865 573218359 /nfs/dbraw/zinc/21/83/59/573218359.db2.gz AINYAOQTDAFYEG-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN F[C@H]1CNc2ccc(Cl)cc21 257973050 573218408 /nfs/dbraw/zinc/21/84/08/573218408.db2.gz YTZURFOUOKYRSC-ZETCQYMHSA-N 0 0 171.602 2.776 10 0 AFAERN F[C@@H]1CNc2ccc(Cl)cc21 257973048 573218427 /nfs/dbraw/zinc/21/84/27/573218427.db2.gz YTZURFOUOKYRSC-SSDOTTSWSA-N 0 0 171.602 2.776 10 0 AFAERN Cc1cccc2c1NCC1(CC1)CO2 259377589 573218465 /nfs/dbraw/zinc/21/84/65/573218465.db2.gz VYOQQNNWBRWZCB-UHFFFAOYSA-N 0 0 189.258 2.580 10 0 AFAERN Cc1cc(C)n(C(=O)OC(C)(C)C)c1 197205584 573218520 /nfs/dbraw/zinc/21/85/20/573218520.db2.gz WNJYZOJHEPPICM-UHFFFAOYSA-N 0 0 195.262 2.888 10 0 AFAERN CC[C@@]1(C)C(=O)CCC[C@@H]1C 238308182 573218903 /nfs/dbraw/zinc/21/89/03/573218903.db2.gz IUCOSMIOBRUWJG-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN CCOC(=O)/C(=C\CC(C)C)CC 226052883 573218939 /nfs/dbraw/zinc/21/89/39/573218939.db2.gz DYWFCGOZWJYTJG-NTMALXAHSA-N 0 0 184.279 2.932 10 0 AFAERN CC1(COC(=O)C2CCCC2)CC1 308319689 573218957 /nfs/dbraw/zinc/21/89/57/573218957.db2.gz XVFFLMHDFKRQCN-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN C[C@H]1C[C@H](C)CC2(CC(=O)CCO2)C1 82832318 573218977 /nfs/dbraw/zinc/21/89/77/573218977.db2.gz BTNOIOAETIEJDO-UWVGGRQHSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1C[C@H](C)CC(O)(c2ccco2)C1 82831694 573218995 /nfs/dbraw/zinc/21/89/95/573218995.db2.gz YRXDRHZKCQZJOB-UWVGGRQHSA-N 0 0 194.274 2.923 10 0 AFAERN CCc1c[nH]c2cc(F)c(O)cc12 238308519 573219105 /nfs/dbraw/zinc/21/91/05/573219105.db2.gz DMWHDYJRKVLVEM-UHFFFAOYSA-N 0 0 179.194 2.575 10 0 AFAERN Cc1ncccc1-c1cccc(N)c1 197204156 573219106 /nfs/dbraw/zinc/21/91/06/573219106.db2.gz YJCSRNJKGSWYTC-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2nnc(Cl)cc21 82830638 573219140 /nfs/dbraw/zinc/21/91/40/573219140.db2.gz QATUKZYHYDCMKS-RQJHMYQMSA-N 0 0 196.681 2.816 10 0 AFAERN CCn1ncc2cc(Cl)c(F)cc21 238308696 573219165 /nfs/dbraw/zinc/21/91/65/573219165.db2.gz SPPQPBHMLBIGOU-UHFFFAOYSA-N 0 0 198.628 2.849 10 0 AFAERN CCc1c[nH]c2cc(C)c(O)cc12 238308445 573219205 /nfs/dbraw/zinc/21/92/05/573219205.db2.gz BYSJAOUOXSSMDW-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN C[C@@H]1C[C@@H](C)CC(O)(c2ccco2)C1 82831695 573219237 /nfs/dbraw/zinc/21/92/37/573219237.db2.gz YRXDRHZKCQZJOB-NXEZZACHSA-N 0 0 194.274 2.923 10 0 AFAERN CCc1c[nH]c2c(F)c(OC)ccc12 238307879 573219273 /nfs/dbraw/zinc/21/92/73/573219273.db2.gz ZFOJQUZGBCYJPL-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN C[C@H]1Cc2nnc(Cl)cc2[C@H](C)C1 82830636 573219298 /nfs/dbraw/zinc/21/92/98/573219298.db2.gz QATUKZYHYDCMKS-RNFRBKRXSA-N 0 0 196.681 2.816 10 0 AFAERN CCc1c[nH]c2c(OC)cc(F)cc12 238308255 573219365 /nfs/dbraw/zinc/21/93/65/573219365.db2.gz CYQPOZYYSMPKAZ-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2nc(C=O)sc21 82831802 573220523 /nfs/dbraw/zinc/22/05/23/573220523.db2.gz UYBKYIGNQHVXTK-RQJHMYQMSA-N 0 0 195.287 2.641 10 0 AFAERN C[C@@H]1C[C@@H](C)CC(O)(C(F)(F)F)C1 82831981 573220557 /nfs/dbraw/zinc/22/05/57/573220557.db2.gz OGRIYPKUWFZDPQ-RNFRBKRXSA-N 0 0 196.212 2.736 10 0 AFAERN CCCCCC(=O)OC[C@H](F)CC 308318343 573220595 /nfs/dbraw/zinc/22/05/95/573220595.db2.gz XAEVBBHVBRUXRH-SECBINFHSA-N 0 0 190.258 2.858 10 0 AFAERN CCCC1(O)C[C@@H](C)C[C@H](C)C1 82831673 573220635 /nfs/dbraw/zinc/22/06/35/573220635.db2.gz UBUXGQMNCPCUAY-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC1(O)C[C@H](C)C[C@@H](C)C1 82831674 573220713 /nfs/dbraw/zinc/22/07/13/573220713.db2.gz UBUXGQMNCPCUAY-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C1(O)C[C@@H](C)C[C@H](C)C1 82831600 573220734 /nfs/dbraw/zinc/22/07/34/573220734.db2.gz RRSKNKAUVRYJJH-UWVGGRQHSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1Cc2nnc(Cl)cc2[C@@H](C)C1 82830637 573220790 /nfs/dbraw/zinc/22/07/90/573220790.db2.gz QATUKZYHYDCMKS-BQBZGAKWSA-N 0 0 196.681 2.816 10 0 AFAERN C/C=C/C=C/c1nnc(CSC)o1 308317336 573220866 /nfs/dbraw/zinc/22/08/66/573220866.db2.gz XZHWQPGEPPEHHW-VNKDHWASSA-N 0 0 196.275 2.522 10 0 AFAERN Cc1ccn(C/C(Cl)=C/Cl)n1 86001531 573220920 /nfs/dbraw/zinc/22/09/20/573220920.db2.gz FDXVOHCMQASYAC-DAXSKMNVSA-N 0 0 191.061 2.511 10 0 AFAERN C[C@@H]1CC(SCCO)C[C@@H](C)C1 82832969 573220923 /nfs/dbraw/zinc/22/09/23/573220923.db2.gz KMDCIZQWZQZXDG-IUCAKERBSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@H]1C[C@H](C)CC(O)(c2ccoc2)C1 82831554 573220996 /nfs/dbraw/zinc/22/09/96/573220996.db2.gz WDXBVNZQOWMNID-UWVGGRQHSA-N 0 0 194.274 2.923 10 0 AFAERN CCC(CC)c1ccccc1CON 257974846 573224136 /nfs/dbraw/zinc/22/41/36/573224136.db2.gz DDGBVWFYMTXNOD-UHFFFAOYSA-N 0 0 193.290 2.981 10 0 AFAERN CCC[C@]1(O)CC[C@H](C)[C@H](C)C1 82838820 573224167 /nfs/dbraw/zinc/22/41/67/573224167.db2.gz KJUBAPQKWCRYKX-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@]1(O)CC[C@@H](C)[C@H](C)C1 82838824 573224206 /nfs/dbraw/zinc/22/42/06/573224206.db2.gz KJUBAPQKWCRYKX-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(COC(=O)CC2CCC2)CC1 308319339 573224229 /nfs/dbraw/zinc/22/42/29/573224229.db2.gz XMDRKXGBIHFDIV-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC[C@@H](CCC(C)C)C(=O)OC 259384175 573224240 /nfs/dbraw/zinc/22/42/40/573224240.db2.gz NGYHCHBFZOQHBT-VIFPVBQESA-N 0 0 172.268 2.622 10 0 AFAERN C/C=C/C=C\c1nnc(CSC)o1 308317335 573224254 /nfs/dbraw/zinc/22/42/54/573224254.db2.gz XZHWQPGEPPEHHW-ICWBMWKASA-N 0 0 196.275 2.522 10 0 AFAERN CC[C@]1(c2ccccc2)CCC[C@H]1O 238320948 573224611 /nfs/dbraw/zinc/22/46/11/573224611.db2.gz LRABENUUJXXOJO-CHWSQXEVSA-N 0 0 190.286 2.879 10 0 AFAERN CC[C@H](C)N(C)C(=O)C(F)=C(C)C 308319582 573226715 /nfs/dbraw/zinc/22/67/15/573226715.db2.gz XRBDDSOGSKPFRZ-QMMMGPOBSA-N 0 0 187.258 2.507 10 0 AFAERN OCc1cccc([C@@H]2CCC[C@@H]2F)c1 259038164 573226720 /nfs/dbraw/zinc/22/67/20/573226720.db2.gz ABFCBIBANBSQJF-RYUDHWBXSA-N 0 0 194.249 2.785 10 0 AFAERN CC1(C)CC(OC(=O)CC2CC2)C1 308312514 573226750 /nfs/dbraw/zinc/22/67/50/573226750.db2.gz SGWCJMRJXVBGFJ-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN Cc1ccc(C(=O)CC(C)C)c(N)c1 115900066 573226767 /nfs/dbraw/zinc/22/67/67/573226767.db2.gz YRPQRKLCZRNKSL-UHFFFAOYSA-N 0 0 191.274 2.806 10 0 AFAERN Cc1cccc2c1OCC1(CC1)CN2 259386405 573226794 /nfs/dbraw/zinc/22/67/94/573226794.db2.gz WMMIQTZZMSJUFP-UHFFFAOYSA-N 0 0 189.258 2.580 10 0 AFAERN CC(=O)[C@@H]1CCCc2sccc21 91354087 573226835 /nfs/dbraw/zinc/22/68/35/573226835.db2.gz ZGOSRDQHRAZBCO-QMMMGPOBSA-N 0 0 180.272 2.757 10 0 AFAERN C[C@H]1CC[C@](N)(C(F)(F)F)C[C@@H]1C 82839388 573226839 /nfs/dbraw/zinc/22/68/39/573226839.db2.gz BMZMOUKOLPLRBJ-BIIVOSGPSA-N 0 0 195.228 2.702 10 0 AFAERN O[C@@H]1CCC=C1c1cc(F)ccc1F 115897143 573226899 /nfs/dbraw/zinc/22/68/99/573226899.db2.gz PKNBDORLQMDGFS-LLVKDONJSA-N 0 0 196.196 2.503 10 0 AFAERN CNc1cnc2ccccc2c1C 238321270 573226911 /nfs/dbraw/zinc/22/69/11/573226911.db2.gz ZULDETWXTOGDIP-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN OCc1cccc([C@@H]2CC[C@H]2CF)c1 259603900 573226942 /nfs/dbraw/zinc/22/69/42/573226942.db2.gz DHEDWJIVZGNVJS-RYUDHWBXSA-N 0 0 194.249 2.642 10 0 AFAERN CC[C@@H](C)N(C)C(=O)C(F)=C(C)C 308319581 573227003 /nfs/dbraw/zinc/22/70/03/573227003.db2.gz XRBDDSOGSKPFRZ-MRVPVSSYSA-N 0 0 187.258 2.507 10 0 AFAERN CC(C)CC(=O)c1ccc(F)cc1N 115908366 573227054 /nfs/dbraw/zinc/22/70/54/573227054.db2.gz ZCIDHNXQKTZMLT-UHFFFAOYSA-N 0 0 195.237 2.637 10 0 AFAERN C[C@H]1C[C@]2(CC[C@H]1C)CC(=O)CCO2 82839442 573227099 /nfs/dbraw/zinc/22/70/99/573227099.db2.gz MVDUYQAZLDJMAQ-JFGNBEQYSA-N 0 0 196.290 2.561 10 0 AFAERN C=CO[C@@H]1CCC=C1Br 115902991 573227130 /nfs/dbraw/zinc/22/71/30/573227130.db2.gz SVYLWDRRTDLTGJ-SSDOTTSWSA-N 0 0 189.052 2.588 10 0 AFAERN COc1ccsc1CC(F)(F)F 642880098 573227633 /nfs/dbraw/zinc/22/76/33/573227633.db2.gz LKPGHWIWIXRPSI-UHFFFAOYSA-N 0 0 196.193 2.862 10 0 AFAERN OCc1cccc([C@@H]2CC[C@@H]2CF)c1 259603828 573227691 /nfs/dbraw/zinc/22/76/91/573227691.db2.gz DHEDWJIVZGNVJS-NEPJUHHUSA-N 0 0 194.249 2.642 10 0 AFAERN CC(C)[C@]1(O)CC[C@@H](C)[C@@H](C)C1 82838718 573227693 /nfs/dbraw/zinc/22/76/93/573227693.db2.gz JYFYISWAVZZGNP-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1ncc(Cl)n1C(C)C 258599281 573227720 /nfs/dbraw/zinc/22/77/20/573227720.db2.gz SFOYRGWNSZNZMS-UHFFFAOYSA-N 0 0 172.659 2.680 10 0 AFAERN CC(=O)C[C@H](F)c1cccc(F)c1 257975834 573227798 /nfs/dbraw/zinc/22/77/98/573227798.db2.gz ZCZCOHUBJYVODV-JTQLQIEISA-N 0 0 184.185 2.815 10 0 AFAERN C[C@H]1C[C@](O)(c2ccco2)CC[C@H]1C 82838849 573227883 /nfs/dbraw/zinc/22/78/83/573227883.db2.gz HPHVICRBLSODNN-SCVCMEIPSA-N 0 0 194.274 2.923 10 0 AFAERN CC[C@H](C)CN(CCC(C)C)OC 308311972 573227884 /nfs/dbraw/zinc/22/78/84/573227884.db2.gz RWRMGYWSWASVNF-NSHDSACASA-N 0 0 187.327 2.942 10 0 AFAERN CC(=O)C[C@@H](F)c1cccc(F)c1 257975835 573227931 /nfs/dbraw/zinc/22/79/31/573227931.db2.gz ZCZCOHUBJYVODV-SNVBAGLBSA-N 0 0 184.185 2.815 10 0 AFAERN CCc1cnc2ccc(C=O)cc2c1 257975750 573227973 /nfs/dbraw/zinc/22/79/73/573227973.db2.gz ZAYQSBCXKDTZQS-UHFFFAOYSA-N 0 0 185.226 2.610 10 0 AFAERN OCc1cccc([C@H]2CCC[C@H]2F)c1 259038175 573227997 /nfs/dbraw/zinc/22/79/97/573227997.db2.gz ABFCBIBANBSQJF-VXGBXAGGSA-N 0 0 194.249 2.785 10 0 AFAERN C[C@H]1C[C@H](SCCO)CC[C@H]1C 82842400 573229330 /nfs/dbraw/zinc/22/93/30/573229330.db2.gz UZWCQKAQVBQTRH-KXUCPTDWSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@H](C)CC(=O)OCC[C@H](C)F 308312017 573229332 /nfs/dbraw/zinc/22/93/32/573229332.db2.gz RYNNZWRQHFHQQH-IUCAKERBSA-N 0 0 190.258 2.714 10 0 AFAERN CC(C)c1cc(O)c(F)cc1F 257975842 573229349 /nfs/dbraw/zinc/22/93/49/573229349.db2.gz ZDCFWWGVZBEIIR-UHFFFAOYSA-N 0 0 172.174 2.794 10 0 AFAERN CC(=O)CCCNc1cccc(F)c1 258595893 573229451 /nfs/dbraw/zinc/22/94/51/573229451.db2.gz GYRNDHHYCYUPIW-UHFFFAOYSA-N 0 0 195.237 2.607 10 0 AFAERN CC(=O)[C@H]1CCCc2sccc21 91354088 573229472 /nfs/dbraw/zinc/22/94/72/573229472.db2.gz ZGOSRDQHRAZBCO-MRVPVSSYSA-N 0 0 180.272 2.757 10 0 AFAERN CC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 82843170 573229698 /nfs/dbraw/zinc/22/96/98/573229698.db2.gz SCAOCHRMIQUIAJ-KHQFGBGNSA-N 0 0 154.253 2.648 10 0 AFAERN COCc1csc2cccc(O)c12 258599095 573229759 /nfs/dbraw/zinc/22/97/59/573229759.db2.gz JXNOOUKVUUSIRU-UHFFFAOYSA-N 0 0 194.255 2.753 10 0 AFAERN COc1ccc([C@H](O)C=C(C)C)cc1 86018757 573234248 /nfs/dbraw/zinc/23/42/48/573234248.db2.gz USKKFTGLXCJGAS-GFCCVEGCSA-N 0 0 192.258 2.695 10 0 AFAERN CC(C)=C[C@H](O)c1ccc(F)cc1F 86019699 573234263 /nfs/dbraw/zinc/23/42/63/573234263.db2.gz BABDZYDBDBHURY-NSHDSACASA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=CC1(O)CCCCC1 86017904 573234271 /nfs/dbraw/zinc/23/42/71/573234271.db2.gz LLESKPOYOKAQFY-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)=C[C@H](O)c1cccs1 86019223 573234280 /nfs/dbraw/zinc/23/42/80/573234280.db2.gz KYNARSMGCCQDKX-QMMMGPOBSA-N 0 0 168.261 2.748 10 0 AFAERN Nc1coc2cc(Cl)ccc12 82853326 573234283 /nfs/dbraw/zinc/23/42/83/573234283.db2.gz KWTYQXUURVJFIA-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN CC(C)=C[C@@](C)(O)Cc1ccccc1 86018621 573234351 /nfs/dbraw/zinc/23/43/51/573234351.db2.gz UUBAMILUBFBBBL-CYBMUJFWSA-N 0 0 190.286 2.946 10 0 AFAERN CC(C)=C[C@@](C)(O)c1ccccc1F 86018236 573234362 /nfs/dbraw/zinc/23/43/62/573234362.db2.gz TUXHMOXLJRWWAE-GFCCVEGCSA-N 0 0 194.249 2.999 10 0 AFAERN COc1ccccc1[C@H](O)C=C(C)C 86018807 573234377 /nfs/dbraw/zinc/23/43/77/573234377.db2.gz KNRMCYIURKOCDL-LLVKDONJSA-N 0 0 192.258 2.695 10 0 AFAERN CC(C)=C[C@@](C)(O)c1ccccc1 86018170 573234383 /nfs/dbraw/zinc/23/43/83/573234383.db2.gz HXKMUNGSIBSBNA-GFCCVEGCSA-N 0 0 176.259 2.860 10 0 AFAERN CCC[C@H](C)[C@H](O)C=C(C)C 86020311 573234390 /nfs/dbraw/zinc/23/43/90/573234390.db2.gz VAEWBFHTBLKTTM-VHSXEESVSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)=C[C@@H](O)C1CCCC1 86020106 573234421 /nfs/dbraw/zinc/23/44/21/573234421.db2.gz VEKLTXYACZJTCK-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H]1C[C@@](C)(CC)CC1=O 238322722 573234486 /nfs/dbraw/zinc/23/44/86/573234486.db2.gz BDVZUHVVVYEPCI-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)=C[C@@]1(O)CC[C@@H](C)C1 86020771 573234488 /nfs/dbraw/zinc/23/44/88/573234488.db2.gz ACGSTKZJWXSZIP-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)=C[C@]1(O)CCC[C@H](C)C1 86017955 573234519 /nfs/dbraw/zinc/23/45/19/573234519.db2.gz JBMJUCFPHNINTP-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN COc1ccccc1[C@@H](O)C=C(C)C 86018802 573234525 /nfs/dbraw/zinc/23/45/25/573234525.db2.gz KNRMCYIURKOCDL-NSHDSACASA-N 0 0 192.258 2.695 10 0 AFAERN CC[C@H](C)[C@](C)(O)C=C(C)C 86018486 573234558 /nfs/dbraw/zinc/23/45/58/573234558.db2.gz GCTDMWRWAGDUFS-VHSXEESVSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@H]1CC[C@](O)(C=C(C)C)C1 86020817 573234658 /nfs/dbraw/zinc/23/46/58/573234658.db2.gz PNRCBIAPOITDJK-QWRGUYRKSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)=C[C@]1(O)CCC[C@H]1C 86021285 573234662 /nfs/dbraw/zinc/23/46/62/573234662.db2.gz MSYHBDSGFZYMBV-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)=C[C@@H](O)c1cccc(F)c1F 86020022 573234669 /nfs/dbraw/zinc/23/46/69/573234669.db2.gz WTKQNTVOIAMNHA-SNVBAGLBSA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=C[C@H](O)C1CCCCC1 86019599 573234679 /nfs/dbraw/zinc/23/46/79/573234679.db2.gz GKALVKQEJNTVIK-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H]1C[C@H](C)Nc2cc(N)ccc21 238323762 573234681 /nfs/dbraw/zinc/23/46/81/573234681.db2.gz MJXZNHKIWHCZOV-IUCAKERBSA-N 0 0 190.290 2.967 10 0 AFAERN C/C=C\COC(=O)[C@@H]1CCC[C@@H]1C 308315273 573235200 /nfs/dbraw/zinc/23/52/00/573235200.db2.gz VAOBBIMZROFJPA-RWCMCFKCSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)c1nn([C@H]2CC[C@@H]2C)cc1N 716622309 573235207 /nfs/dbraw/zinc/23/52/07/573235207.db2.gz MPZMTCPFQULOTP-WPRPVWTQSA-N 0 0 193.294 2.560 10 0 AFAERN COCc1cc(C)c(O)c(Cl)c1 238323325 573235218 /nfs/dbraw/zinc/23/52/18/573235218.db2.gz DGVBIUVISQIMCQ-UHFFFAOYSA-N 0 0 186.638 2.500 10 0 AFAERN C/C=C/CN(CC)Cc1nccs1 308323339 573235221 /nfs/dbraw/zinc/23/52/21/573235221.db2.gz CYIVOIXNDIDBIA-HWKANZROSA-N 0 0 196.319 2.541 10 0 AFAERN O[C@@H]1CC=CC[C@@H]2C[C@@H]2C[C@@H]2C[C@@H]2C1 308528420 573235248 /nfs/dbraw/zinc/23/52/48/573235248.db2.gz BQYRPQJVJDHJIX-SYLRKERUSA-N 0 0 192.302 2.750 10 0 AFAERN Cc1cc2cccc([C@H](C)O)c2n1C 258244697 573235326 /nfs/dbraw/zinc/23/53/26/573235326.db2.gz XJRFQQVFUUZHMO-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN CCC1(C(=O)CC2CCOCC2)CC1 308526263 573235502 /nfs/dbraw/zinc/23/55/02/573235502.db2.gz JANKEBCJTPEBTL-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN C/C=C\CN(CC)Cc1nccs1 308323340 573235721 /nfs/dbraw/zinc/23/57/21/573235721.db2.gz CYIVOIXNDIDBIA-HYXAFXHYSA-N 0 0 196.319 2.541 10 0 AFAERN CCc1cnc(C)cc1Cl 238322564 573235799 /nfs/dbraw/zinc/23/57/99/573235799.db2.gz XSXJTTIYCDQURP-UHFFFAOYSA-N 0 0 155.628 2.606 10 0 AFAERN COCN(C)c1c(C)cc(C)cc1C 259043155 573235807 /nfs/dbraw/zinc/23/58/07/573235807.db2.gz JECLYRNDILOFKQ-UHFFFAOYSA-N 0 0 193.290 2.652 10 0 AFAERN Cc1cc2cccc([C@@H](C)O)c2n1C 258244696 573235867 /nfs/dbraw/zinc/23/58/67/573235867.db2.gz XJRFQQVFUUZHMO-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CC1CCC([C@@H](O)C(F)(F)F)CC1 82849313 573235888 /nfs/dbraw/zinc/23/58/88/573235888.db2.gz BNECWEOQURRIMM-KAVNDROISA-N 0 0 196.212 2.736 10 0 AFAERN CSCc1cc2cc(N)ccc2o1 257976454 573235914 /nfs/dbraw/zinc/23/59/14/573235914.db2.gz JEWPEWLNFJNXLZ-UHFFFAOYSA-N 0 0 193.271 2.878 10 0 AFAERN CC1CCC([C@H](O)C(F)(F)F)CC1 82849312 573236038 /nfs/dbraw/zinc/23/60/38/573236038.db2.gz BNECWEOQURRIMM-RRQHEKLDSA-N 0 0 196.212 2.736 10 0 AFAERN CC(C)Oc1ccc([C@@H](C)NO)cc1 132177889 573236041 /nfs/dbraw/zinc/23/60/41/573236041.db2.gz FOWRLQAZWCIDTE-SECBINFHSA-N 0 0 195.262 2.514 10 0 AFAERN Cc1cn(C)c2c([C@H](C)O)cccc12 258244740 573236074 /nfs/dbraw/zinc/23/60/74/573236074.db2.gz XLCMCYUMNHOPBK-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN CC[C@@H](C)C(=O)[C@H](OC)C(C)(C)C 132193535 573236078 /nfs/dbraw/zinc/23/60/78/573236078.db2.gz ZQJZZNXERPZLAH-SCZZXKLOSA-N 0 0 186.295 2.663 10 0 AFAERN CNc1ccc(OC)c([C@@H]2C[C@@H]2C)c1 238314477 573238659 /nfs/dbraw/zinc/23/86/59/573238659.db2.gz DFNDFEWCHFOZHJ-WCBMZHEXSA-N 0 0 191.274 2.860 10 0 AFAERN C[C@@H]1CC[C@H](Nc2cn[nH]c2)[C@H](C)C1 82858420 573238698 /nfs/dbraw/zinc/23/86/98/573238698.db2.gz WBTRCFRWSRXZQA-KKZNHRDASA-N 0 0 193.294 2.646 10 0 AFAERN CNc1cc2c(nn1)[C@H](C)CC[C@@H]2C 82858603 573238715 /nfs/dbraw/zinc/23/87/15/573238715.db2.gz KVUQXFFWDHXFAM-JGVFFNPUSA-N 0 0 191.278 2.519 10 0 AFAERN CCNc1n[nH]c2c1C[C@@H](C)C[C@@H]2C 82859129 573238734 /nfs/dbraw/zinc/23/87/34/573238734.db2.gz BBULAQQNZSTSIW-YUMQZZPRSA-N 0 0 193.294 2.527 10 0 AFAERN CNc1nc2c(s1)CC[C@H](C)[C@@H]2C 82857151 573238753 /nfs/dbraw/zinc/23/87/53/573238753.db2.gz LWCUXNFBLHYJKO-BQBZGAKWSA-N 0 0 196.319 2.871 10 0 AFAERN CC/C=C\CC/C(C)=C/CO 206136920 573238770 /nfs/dbraw/zinc/23/87/70/573238770.db2.gz RLPWNMSMTXWSAH-BTCMVDHLSA-N 0 0 154.253 2.671 10 0 AFAERN CC[C@H]1C[C@H](C)c2ccc(N)cc2N1 238314689 573238916 /nfs/dbraw/zinc/23/89/16/573238916.db2.gz MZSIJFKVKMBNQC-WPRPVWTQSA-N 0 0 190.290 2.967 10 0 AFAERN Cc1cc([C@@H](O)CCCCF)ccn1 308528219 573238937 /nfs/dbraw/zinc/23/89/37/573238937.db2.gz JTBGCNJBRFDIHR-NSHDSACASA-N 0 0 197.253 2.563 10 0 AFAERN O[C@@H]1CC=CC[C@@H]2C[C@@H]2C[C@H]2C[C@H]2C1 308528413 573239070 /nfs/dbraw/zinc/23/90/70/573239070.db2.gz BQYRPQJVJDHJIX-NAWOPXAZSA-N 0 0 192.302 2.750 10 0 AFAERN C[C@@H]1c2nnc(Cl)cc2CC[C@H]1C 82857556 573239186 /nfs/dbraw/zinc/23/91/86/573239186.db2.gz OLRQRWVBNMSYHD-RQJHMYQMSA-N 0 0 196.681 2.816 10 0 AFAERN CNc1nc2c(s1)C[C@H](C)C[C@@H]2C 82857147 573240482 /nfs/dbraw/zinc/24/04/82/573240482.db2.gz URRYTHKBYBUQLI-RQJHMYQMSA-N 0 0 196.319 2.871 10 0 AFAERN C[C@@H]1Cc2cc(Cl)nnc2[C@H](C)C1 82857546 573240496 /nfs/dbraw/zinc/24/04/96/573240496.db2.gz PVUREXKTDWIURY-NKWVEPMBSA-N 0 0 196.681 2.816 10 0 AFAERN CCc1ccc(C(C)C)c(CON)c1 257976998 573240520 /nfs/dbraw/zinc/24/05/20/573240520.db2.gz DHVZJEQCAMUFTD-UHFFFAOYSA-N 0 0 193.290 2.763 10 0 AFAERN Cc1ncc(C(C)(C)C)c(Cl)n1 258604393 573240534 /nfs/dbraw/zinc/24/05/34/573240534.db2.gz SVGCJLGWYJRVAP-UHFFFAOYSA-N 0 0 184.670 2.736 10 0 AFAERN C[C@H]1CC[C@H](C)c2sc(N)nc21 82857129 573240564 /nfs/dbraw/zinc/24/05/64/573240564.db2.gz FKCBXERVMUPWMK-WDSKDSINSA-N 0 0 182.292 2.726 10 0 AFAERN CSc1ccc(C)c([C@H](C)O)c1 257977044 573240580 /nfs/dbraw/zinc/24/05/80/573240580.db2.gz DIKRPRIOBGJEBH-QMMMGPOBSA-N 0 0 182.288 2.770 10 0 AFAERN CC[C@H]1C[C@@H](C)c2ccc(N)cc2N1 238314315 573240672 /nfs/dbraw/zinc/24/06/72/573240672.db2.gz MZSIJFKVKMBNQC-SCZZXKLOSA-N 0 0 190.290 2.967 10 0 AFAERN CC1CCC([C@@H]2CC[C@@H](O)C2)CC1 82856805 573240718 /nfs/dbraw/zinc/24/07/18/573240718.db2.gz MBXINJZXRZYUDC-KIDURHIOSA-N 0 0 182.307 2.974 10 0 AFAERN CCO[C@H](C(=O)C1CCCC1)C1CC1 132174580 573240789 /nfs/dbraw/zinc/24/07/89/573240789.db2.gz IVPPZOOJNHBPAS-LBPRGKRZSA-N 0 0 196.290 2.561 10 0 AFAERN CC(C)(C)Cc1ccc(O)cc1N 257977024 573240848 /nfs/dbraw/zinc/24/08/48/573240848.db2.gz ZFWIRWCEAHCALK-UHFFFAOYSA-N 0 0 179.263 2.563 10 0 AFAERN C[C@H]1CCc2cc(Cl)nnc2[C@H]1C 82857557 573240886 /nfs/dbraw/zinc/24/08/86/573240886.db2.gz OLRQRWVBNMSYHD-BQBZGAKWSA-N 0 0 196.681 2.816 10 0 AFAERN CC1CCC([C@H]2CC[C@@H](O)C2)CC1 82856806 573240902 /nfs/dbraw/zinc/24/09/02/573240902.db2.gz MBXINJZXRZYUDC-MMVSWEMESA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@H](Nc2cn[nH]c2)C1 82858426 573240936 /nfs/dbraw/zinc/24/09/36/573240936.db2.gz DBKQCAGKEUMVAU-FXPVBKGRSA-N 0 0 193.294 2.646 10 0 AFAERN C[C@@H]1CCC[C@H](Nc2cn[nH]c2)[C@@H]1C 82858416 573240974 /nfs/dbraw/zinc/24/09/74/573240974.db2.gz YKWVCCBGCNKHDZ-KKZNHRDASA-N 0 0 193.294 2.646 10 0 AFAERN CNc1ncc2c(n1)[C@H](C)CC[C@@H]2C 82859573 573241068 /nfs/dbraw/zinc/24/10/68/573241068.db2.gz WDJAQACYCHJJCS-JGVFFNPUSA-N 0 0 191.278 2.519 10 0 AFAERN CCNc1n[nH]c2c1[C@@H](C)CC[C@@H]2C 82859125 573241381 /nfs/dbraw/zinc/24/13/81/573241381.db2.gz BAEFAZKKOLEFFG-YUMQZZPRSA-N 0 0 193.294 2.842 10 0 AFAERN Cc1ccc([C@]2(CO)C[C@@H]2C)c(C)c1 259045748 573241401 /nfs/dbraw/zinc/24/14/01/573241401.db2.gz UJPOTMJSMFZNQP-AAEUAGOBSA-N 0 0 190.286 2.573 10 0 AFAERN CC[C@H]1Cc2ccc(N)cc2N[C@H]1C 238315517 573241444 /nfs/dbraw/zinc/24/14/44/573241444.db2.gz BDVJXSYJEGOYOZ-IUCAKERBSA-N 0 0 190.290 2.652 10 0 AFAERN Cc1ccsc1C(F)(F)CCO 259045810 573241451 /nfs/dbraw/zinc/24/14/51/573241451.db2.gz UKOYSSGQSBAABQ-UHFFFAOYSA-N 0 0 192.230 2.531 10 0 AFAERN CCNc1n[nH]c2c1CC[C@@H](C)[C@@H]2C 82859121 573241482 /nfs/dbraw/zinc/24/14/82/573241482.db2.gz ONQCVZXVCUNSEQ-SFYZADRCSA-N 0 0 193.294 2.527 10 0 AFAERN CCOCCCC1=C[C@@H](O)C[C@@H](C)C1 308529105 573241517 /nfs/dbraw/zinc/24/15/17/573241517.db2.gz QGARTVUDNZANMT-JQWIXIFHSA-N 0 0 198.306 2.520 10 0 AFAERN CC[C@H](O)[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C 238315590 573241525 /nfs/dbraw/zinc/24/15/25/573241525.db2.gz FXDDEYYIOXYNDN-FIQHERPVSA-N 0 0 182.307 2.996 10 0 AFAERN C[C@@H]1CCc2cc(Cl)nnc2[C@@H]1C 82857554 573241537 /nfs/dbraw/zinc/24/15/37/573241537.db2.gz OLRQRWVBNMSYHD-RNFRBKRXSA-N 0 0 196.681 2.816 10 0 AFAERN CCc1cc2c(OC)cc(F)cc2[nH]1 238316269 573241582 /nfs/dbraw/zinc/24/15/82/573241582.db2.gz HNCUKCQKRUUTMC-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN C[C@H]1CC[C@@H](C)c2nc(N)sc21 82857128 573241593 /nfs/dbraw/zinc/24/15/93/573241593.db2.gz FKCBXERVMUPWMK-RITPCOANSA-N 0 0 182.292 2.726 10 0 AFAERN CCc1cc2c(F)ccc(OC)c2[nH]1 238315881 573241604 /nfs/dbraw/zinc/24/16/04/573241604.db2.gz ACAPIZMGJSMUOI-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN CNc1nc2c(s1)C[C@@H](C)C[C@H]2C 82857144 573242042 /nfs/dbraw/zinc/24/20/42/573242042.db2.gz URRYTHKBYBUQLI-NKWVEPMBSA-N 0 0 196.319 2.871 10 0 AFAERN CC(C)=CCOC(=O)C[C@H]1C[C@H]1C 308320076 573242053 /nfs/dbraw/zinc/24/20/53/573242053.db2.gz XYPHBYJRTHBAEQ-NXEZZACHSA-N 0 0 182.263 2.542 10 0 AFAERN CCNc1n[nH]c2c1C[C@@H](C)C[C@H]2C 82859128 573242066 /nfs/dbraw/zinc/24/20/66/573242066.db2.gz BBULAQQNZSTSIW-JGVFFNPUSA-N 0 0 193.294 2.527 10 0 AFAERN CNc1ncc2c(n1)[C@@H](C)CC[C@@H]2C 82859571 573242073 /nfs/dbraw/zinc/24/20/73/573242073.db2.gz WDJAQACYCHJJCS-YUMQZZPRSA-N 0 0 191.278 2.519 10 0 AFAERN C[C@@H]1CC[C@@H](Nc2cn[nH]c2)[C@H](C)C1 82858422 573242100 /nfs/dbraw/zinc/24/21/00/573242100.db2.gz WBTRCFRWSRXZQA-FXPVBKGRSA-N 0 0 193.294 2.646 10 0 AFAERN CNc1cc2c(nn1)[C@@H](C)CC[C@H]2C 82858600 573242156 /nfs/dbraw/zinc/24/21/56/573242156.db2.gz KVUQXFFWDHXFAM-SFYZADRCSA-N 0 0 191.278 2.519 10 0 AFAERN CNc1ncc2c(n1)[C@@H](C)CC[C@H]2C 82859570 573242177 /nfs/dbraw/zinc/24/21/77/573242177.db2.gz WDJAQACYCHJJCS-SFYZADRCSA-N 0 0 191.278 2.519 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@H]1Nc1cn[nH]c1 82858424 573242200 /nfs/dbraw/zinc/24/22/00/573242200.db2.gz DBKQCAGKEUMVAU-WCABBAIRSA-N 0 0 193.294 2.646 10 0 AFAERN COC(C)(C)C(=O)[C@@H]1CCC[C@@H](C)C1 86071421 573242252 /nfs/dbraw/zinc/24/22/52/573242252.db2.gz OVTRHQMSMHZYDS-NXEZZACHSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)CC(C)(C)c1ccccc1O 116088026 573242571 /nfs/dbraw/zinc/24/25/71/573242571.db2.gz WYNMQKSKEVHTRK-UHFFFAOYSA-N 0 0 192.258 2.649 10 0 AFAERN CCCCC[C@@H]1OC=CCC[C@H]1O 215101212 573242675 /nfs/dbraw/zinc/24/26/75/573242675.db2.gz YQENQWDUTATXHD-MNOVXSKESA-N 0 0 184.279 2.620 10 0 AFAERN CSc1ccc(NC(=O)S)cc1 258607964 573242777 /nfs/dbraw/zinc/24/27/77/573242777.db2.gz AKQGXHLHMZBJRJ-UHFFFAOYSA-N 0 0 199.300 2.870 10 0 AFAERN CNc1ccc([C@@H]2CCCC2=O)cc1 238315698 573242820 /nfs/dbraw/zinc/24/28/20/573242820.db2.gz SRMGESFOZXEANZ-NSHDSACASA-N 0 0 189.258 2.565 10 0 AFAERN CCc1cc(C(C)=O)sc1C 238315919 573242872 /nfs/dbraw/zinc/24/28/72/573242872.db2.gz ZFMIRPKJGLQLSH-UHFFFAOYSA-N 0 0 168.261 2.822 10 0 AFAERN COC(C)(C)C(=O)C1CCC(C)CC1 86071720 573242957 /nfs/dbraw/zinc/24/29/57/573242957.db2.gz DSKZVYGKDDXTLE-UHFFFAOYSA-N 0 0 198.306 2.807 10 0 AFAERN COC[C@H](C)[C@H](C)Nc1ccccc1 308521077 573242981 /nfs/dbraw/zinc/24/29/81/573242981.db2.gz OWERMXGLYHYIIV-QWRGUYRKSA-N 0 0 193.290 2.770 10 0 AFAERN CSc1ccc(C)c([C@@H](C)O)c1 257977041 573243021 /nfs/dbraw/zinc/24/30/21/573243021.db2.gz DIKRPRIOBGJEBH-MRVPVSSYSA-N 0 0 182.288 2.770 10 0 AFAERN COC(C)(C)C(=O)[C@@H]1CCC[C@H](C)C1 86071423 573243067 /nfs/dbraw/zinc/24/30/67/573243067.db2.gz OVTRHQMSMHZYDS-VHSXEESVSA-N 0 0 198.306 2.807 10 0 AFAERN CCC1(O)CCC(C(F)(F)F)CC1 82862647 573243068 /nfs/dbraw/zinc/24/30/68/573243068.db2.gz SBIFTJQCCYQJGS-UHFFFAOYSA-N 0 0 196.212 2.880 10 0 AFAERN C[C@@H]1CCC[C@]2(CC(=O)CCO2)[C@@H]1C 82862312 573243115 /nfs/dbraw/zinc/24/31/15/573243115.db2.gz NBDVQVFJWAVWMW-FOGDFJRCSA-N 0 0 196.290 2.561 10 0 AFAERN CCc1cc2c(NO)coc2cc1O 238316010 573243147 /nfs/dbraw/zinc/24/31/47/573243147.db2.gz ALOQMYDBHYGCTG-UHFFFAOYSA-N 0 0 193.202 2.502 10 0 AFAERN CC[C@H]1Cc2cc(C)ccc2C1=O 238315270 573243155 /nfs/dbraw/zinc/24/31/55/573243155.db2.gz QEBPYMZDEVMJKU-VIFPVBQESA-N 0 0 174.243 2.760 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@@]1(O)C(F)(F)F 82861908 573243280 /nfs/dbraw/zinc/24/32/80/573243280.db2.gz BVZUCYNHZFIXMR-CSMHCCOUSA-N 0 0 196.212 2.736 10 0 AFAERN CCc1cc2c(F)c(OC)ccc2[nH]1 238315739 573243285 /nfs/dbraw/zinc/24/32/85/573243285.db2.gz JBILYEBTADSPBN-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN COC(C)(C)C(=O)c1cccc(C)c1 86071789 573243348 /nfs/dbraw/zinc/24/33/48/573243348.db2.gz JTHAOPYNCASHJZ-UHFFFAOYSA-N 0 0 192.258 2.603 10 0 AFAERN CC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 82863064 573243383 /nfs/dbraw/zinc/24/33/83/573243383.db2.gz CORVCTSEIJWRHM-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN CC(C)[C@]1(O)C[C@H](C)CC[C@H]1C 82861508 573243444 /nfs/dbraw/zinc/24/34/44/573243444.db2.gz ZCJPEEJNMLPVLP-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN COC(C)(C)C(=O)c1ccccc1C 86071457 573243524 /nfs/dbraw/zinc/24/35/24/573243524.db2.gz CVROBSUNVUEZHF-UHFFFAOYSA-N 0 0 192.258 2.603 10 0 AFAERN C[C@@H]1CC[C@](O)(c2ccco2)[C@H](C)C1 82861366 573243551 /nfs/dbraw/zinc/24/35/51/573243551.db2.gz ZOMOCHHHMZNBDN-CKYFFXLPSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@@H]1CC[C@@](O)(c2ccoc2)[C@H](C)C1 82861236 573243605 /nfs/dbraw/zinc/24/36/05/573243605.db2.gz DPDZPASXEKVBTO-FOGDFJRCSA-N 0 0 194.274 2.923 10 0 AFAERN CCc1cc2c(Cl)nccc2[nH]1 238315642 573243621 /nfs/dbraw/zinc/24/36/21/573243621.db2.gz AHACVGLDJASVQD-UHFFFAOYSA-N 0 0 180.638 2.779 10 0 AFAERN CNc1nc(C2CCCCC2)co1 258608691 573243625 /nfs/dbraw/zinc/24/36/25/573243625.db2.gz OYMFMJJZPMRIGU-UHFFFAOYSA-N 0 0 180.251 2.764 10 0 AFAERN C[C@@H]1CC[C@](N)(C(F)(F)F)[C@H](C)C1 82862220 573243631 /nfs/dbraw/zinc/24/36/31/573243631.db2.gz QMANYGVEDKUGLG-BWZBUEFSSA-N 0 0 195.228 2.702 10 0 AFAERN CC(C)[C@@]1(O)CC[C@@H](C)C[C@H]1C 82861314 573243658 /nfs/dbraw/zinc/24/36/58/573243658.db2.gz VABPCXAYGKMLOV-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc([C@@]2(CO)C[C@H]2C)c(C)c1 259045750 573243665 /nfs/dbraw/zinc/24/36/65/573243665.db2.gz UJPOTMJSMFZNQP-DGCLKSJQSA-N 0 0 190.286 2.573 10 0 AFAERN CC[C@H]1Cc2cc(C)ccc2[C@@H]1O 238315288 573243678 /nfs/dbraw/zinc/24/36/78/573243678.db2.gz PBITUKCCHDCMFP-JOYOIKCWSA-N 0 0 176.259 2.611 10 0 AFAERN CC(C)[C@]1(O)C[C@H](C)CC[C@@H]1C 82861506 573243709 /nfs/dbraw/zinc/24/37/09/573243709.db2.gz ZCJPEEJNMLPVLP-OUAUKWLOSA-N 0 0 170.296 2.830 10 0 AFAERN C/C=C(C)/C=C/C(=O)OCC(C)C 308321143 573243772 /nfs/dbraw/zinc/24/37/72/573243772.db2.gz YQYOLMCLFFRUNU-XYLIHAQWSA-N 0 0 182.263 2.708 10 0 AFAERN CC[C@@]1(O)CC[C@H](C)C[C@@H]1C 82861311 573243774 /nfs/dbraw/zinc/24/37/74/573243774.db2.gz XSGFJIFCZVFPJV-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CCOCCCC1=C[C@H](O)C[C@@H](C)C1 308529104 573243778 /nfs/dbraw/zinc/24/37/78/573243778.db2.gz QGARTVUDNZANMT-CMPLNLGQSA-N 0 0 198.306 2.520 10 0 AFAERN CCSCc1ccc(F)cc1N 82864687 573243796 /nfs/dbraw/zinc/24/37/96/573243796.db2.gz CYYBEMJFCPRAGW-UHFFFAOYSA-N 0 0 185.267 2.661 10 0 AFAERN CCCC[C@H](C)Nc1ccc(C)nn1 50889373 573243806 /nfs/dbraw/zinc/24/38/06/573243806.db2.gz ZETKPMUTTAUFOG-VIFPVBQESA-N 0 0 193.294 2.776 10 0 AFAERN C=C=C[C@@H](O)c1ccccc1CC 238315669 573245447 /nfs/dbraw/zinc/24/54/47/573245447.db2.gz CHPROJSGNIEXJP-GFCCVEGCSA-N 0 0 174.243 2.624 10 0 AFAERN CCCC[C@H](C)Nc1cc(C)ncn1 50889359 573245494 /nfs/dbraw/zinc/24/54/94/573245494.db2.gz JPYLJIBKVJABHC-VIFPVBQESA-N 0 0 193.294 2.776 10 0 AFAERN CCC[C@]1(O)CCC[C@@H](C)[C@@H]1C 82861164 573246059 /nfs/dbraw/zinc/24/60/59/573246059.db2.gz CMPBLYQDKFLFME-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@](N)(C(F)(F)F)[C@@H]1C 82862228 573246072 /nfs/dbraw/zinc/24/60/72/573246072.db2.gz UQEQWPGFCGOIES-BWZBUEFSSA-N 0 0 195.228 2.702 10 0 AFAERN COC(=N)C(C)(C)c1ccc(F)cc1 82864418 573245598 /nfs/dbraw/zinc/24/55/98/573245598.db2.gz WQMOIVOUPSZYKU-UHFFFAOYSA-N 0 0 195.237 2.727 10 0 AFAERN C[C@@H](F)c1cccc(C2(O)CC2)c1 257977341 573245612 /nfs/dbraw/zinc/24/56/12/573245612.db2.gz JDJQLOMQYKTKEW-MRVPVSSYSA-N 0 0 180.222 2.699 10 0 AFAERN CC(C)=CCOC(=O)C[C@@H]1C[C@@H]1C 308320078 573245653 /nfs/dbraw/zinc/24/56/53/573245653.db2.gz XYPHBYJRTHBAEQ-UWVGGRQHSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)[C@]1(O)CC[C@@H](C)C[C@H]1C 82861316 573245659 /nfs/dbraw/zinc/24/56/59/573245659.db2.gz VABPCXAYGKMLOV-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)(C)Nc1ccc(N)c(F)c1 259044576 573245693 /nfs/dbraw/zinc/24/56/93/573245693.db2.gz VCWYIDKLJQTVGP-UHFFFAOYSA-N 0 0 182.242 2.618 10 0 AFAERN CCC[C@]1(O)CCC[C@H](C)[C@@H]1C 82861162 573245702 /nfs/dbraw/zinc/24/57/02/573245702.db2.gz CMPBLYQDKFLFME-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@](O)(C(F)(F)F)[C@@H]1C 82861916 573245714 /nfs/dbraw/zinc/24/57/14/573245714.db2.gz FUYCOQNPALUCPD-BWZBUEFSSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@H]1Nn1cccc1 235551397 573245729 /nfs/dbraw/zinc/24/57/29/573245729.db2.gz JBOMLIKNIULGSX-QWRGUYRKSA-N 0 0 192.306 2.856 10 0 AFAERN C[C@@H]1CC[C@@](O)(c2ccco2)[C@H](C)C1 82861368 573245746 /nfs/dbraw/zinc/24/57/46/573245746.db2.gz ZOMOCHHHMZNBDN-FOGDFJRCSA-N 0 0 194.274 2.923 10 0 AFAERN CCC(C)(C)OC(=O)/C=C/C1CC1 308319965 573245830 /nfs/dbraw/zinc/24/58/30/573245830.db2.gz XVSPIKZRJPVBCS-BQYQJAHWSA-N 0 0 182.263 2.684 10 0 AFAERN C[C@@H]1CC[C@](O)(c2ccoc2)[C@H](C)C1 82861234 573245844 /nfs/dbraw/zinc/24/58/44/573245844.db2.gz DPDZPASXEKVBTO-CKYFFXLPSA-N 0 0 194.274 2.923 10 0 AFAERN CCC(CC)OCOc1cccnc1 308523926 573245860 /nfs/dbraw/zinc/24/58/60/573245860.db2.gz ZREIJXSROGUSHJ-UHFFFAOYSA-N 0 0 195.262 2.623 10 0 AFAERN C[C@@H]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 82861912 573245925 /nfs/dbraw/zinc/24/59/25/573245925.db2.gz VKRKUWBWPXKSGM-BWZBUEFSSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@@H]1CCC[C@@]2(CC(=O)CCO2)[C@@H]1C 82862314 573245956 /nfs/dbraw/zinc/24/59/56/573245956.db2.gz NBDVQVFJWAVWMW-CKYFFXLPSA-N 0 0 196.290 2.561 10 0 AFAERN COC(C)(C)C(=O)c1ccc(C)s1 86071552 573246024 /nfs/dbraw/zinc/24/60/24/573246024.db2.gz CZBAZEXNCBATFQ-UHFFFAOYSA-N 0 0 198.287 2.664 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@@]1(N)C(F)(F)F 82862224 573246556 /nfs/dbraw/zinc/24/65/56/573246556.db2.gz KIZSUQBGINOKLR-CSMHCCOUSA-N 0 0 195.228 2.702 10 0 AFAERN CCc1cc2cc(F)cc(OC)c2[nH]1 238317280 573246639 /nfs/dbraw/zinc/24/66/39/573246639.db2.gz FBZOGOXKPQWMPO-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN CC[C@]1(O)CCC[C@H](C(F)(F)F)C1 82863063 573246692 /nfs/dbraw/zinc/24/66/92/573246692.db2.gz CORVCTSEIJWRHM-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN COC(=O)[C@]1(C2CCCCC2)C[C@H]1C 259051694 573246740 /nfs/dbraw/zinc/24/67/40/573246740.db2.gz VGPHSVVSJPWCSQ-BXKDBHETSA-N 0 0 196.290 2.766 10 0 AFAERN CC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 82863066 573246748 /nfs/dbraw/zinc/24/67/48/573246748.db2.gz CORVCTSEIJWRHM-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@]1(C)CCC(=O)c2occc21 238317455 573246765 /nfs/dbraw/zinc/24/67/65/573246765.db2.gz LSBLCZZYIUIHHV-LLVKDONJSA-N 0 0 178.231 2.924 10 0 AFAERN CC[C@H](O)/C=C/C=C(Cl)Cl 238316468 573246774 /nfs/dbraw/zinc/24/67/74/573246774.db2.gz MBDPOMJAOZYSBA-YUDCMIJISA-N 0 0 181.062 2.633 10 0 AFAERN CCC[C@H](O)[C@H](C)[C@@H](C)CC 212550739 573246857 /nfs/dbraw/zinc/24/68/57/573246857.db2.gz OHTBLGWZGXJQHC-AEJSXWLSSA-N 0 0 158.285 2.830 10 0 AFAERN C/C=C\C(=O)O[C@@H]1CCCC[C@H]1C 308322643 573246868 /nfs/dbraw/zinc/24/68/68/573246868.db2.gz ZPPWFHHHHMMDHS-KJJJKSGUSA-N 0 0 182.263 2.684 10 0 AFAERN CC[C@@H](C(=S)NC)c1ccccc1 238317034 573247084 /nfs/dbraw/zinc/24/70/84/573247084.db2.gz CWCIIIVYXFQPBQ-SNVBAGLBSA-N 0 0 193.315 2.727 10 0 AFAERN CCCCN(C)c1cccc(NC)c1 259391585 573249324 /nfs/dbraw/zinc/24/93/24/573249324.db2.gz WVZLNCRLMHOSSC-UHFFFAOYSA-N 0 0 192.306 2.965 10 0 AFAERN CCc1cc2c(OC)ccc(F)c2[nH]1 238316368 573249420 /nfs/dbraw/zinc/24/94/20/573249420.db2.gz LCIRSXDEIYNPKO-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN Clc1ccc(O[C@H]2CCOC2)cc1 82865202 573249452 /nfs/dbraw/zinc/24/94/52/573249452.db2.gz ZUZVEECETQVORE-JTQLQIEISA-N 0 0 198.649 2.508 10 0 AFAERN CCc1cc2cc(O)ccc2cc1O 238317408 573249598 /nfs/dbraw/zinc/24/95/98/573249598.db2.gz YDEXSDDRHBEJGH-UHFFFAOYSA-N 0 0 188.226 2.813 10 0 AFAERN CNc1ccc2c(c1)S[C@H](C)N2 238317251 573249626 /nfs/dbraw/zinc/24/96/26/573249626.db2.gz DCBPFRNMSOAMRW-ZCFIWIBFSA-N 0 0 180.276 2.592 10 0 AFAERN Cc1ccc(OC2CCOCC2)cc1 82865159 573249635 /nfs/dbraw/zinc/24/96/35/573249635.db2.gz NQRCSYFJBZMAGY-UHFFFAOYSA-N 0 0 192.258 2.553 10 0 AFAERN CC[C@@H](C(C)=O)C1=CCCC1 238317229 573249750 /nfs/dbraw/zinc/24/97/50/573249750.db2.gz IQKVRLHIBJMKKN-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN O=C1CCC(CC2CCC2)CC1 259048156 573250888 /nfs/dbraw/zinc/25/08/88/573250888.db2.gz DMYVVMMNXOEMOA-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc(C(C)(C)O)cc(C)c1C 257979086 573254013 /nfs/dbraw/zinc/25/40/13/573254013.db2.gz JMAMAOHJDCJVAL-UHFFFAOYSA-N 0 0 178.275 2.839 10 0 AFAERN CC(C)(C)OCc1ccc(N)cc1F 82864907 573250999 /nfs/dbraw/zinc/25/09/99/573250999.db2.gz CZNVRTXYZSVVSS-UHFFFAOYSA-N 0 0 197.253 2.723 10 0 AFAERN CNc1c(C)cc(C)c(C)c1OC 259049359 573251028 /nfs/dbraw/zinc/25/10/28/573251028.db2.gz AHAZEQYUJDAGEG-UHFFFAOYSA-N 0 0 179.263 2.662 10 0 AFAERN Cc1cccc(COc2cnoc2)c1 258247301 573251035 /nfs/dbraw/zinc/25/10/35/573251035.db2.gz AJAAZCCCZMFISU-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN CC(=O)c1cnoc1C1CCCC1 259393537 573253851 /nfs/dbraw/zinc/25/38/51/573253851.db2.gz WXMZOMGLVLYVPX-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN CCc1ccnc2c(C)cc(N)cc12 238317714 573253852 /nfs/dbraw/zinc/25/38/52/573253852.db2.gz WKVVTIAMGTWOJY-UHFFFAOYSA-N 0 0 186.258 2.688 10 0 AFAERN Fc1ccc(F)c(C2=NCCC2)c1 116152337 573253884 /nfs/dbraw/zinc/25/38/84/573253884.db2.gz QIZHVCUPPAMGIW-UHFFFAOYSA-N 0 0 181.185 2.548 10 0 AFAERN CC(C)[C@H](C)Nc1ccc(O)c(F)c1 82878613 573253956 /nfs/dbraw/zinc/25/39/56/573253956.db2.gz UPQJEBZBMBSHKD-QMMMGPOBSA-N 0 0 197.253 2.988 10 0 AFAERN C[NH2+]C1=Cc2ccccc2CCC1 238317848 573253961 /nfs/dbraw/zinc/25/39/61/573253961.db2.gz WVTFTQLEOOFYPF-UHFFFAOYSA-N 0 0 173.259 2.583 10 0 AFAERN CC(C)(O)c1cc2c(F)cccc2[nH]1 258245159 573250815 /nfs/dbraw/zinc/25/08/15/573250815.db2.gz QYOSKUAEIOUQTH-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN CN=C1Nc2ccccc2[C@@H](C)S1 238318644 573255406 /nfs/dbraw/zinc/25/54/06/573255406.db2.gz IDEYLXYDEUFMJZ-SSDOTTSWSA-N 0 0 192.287 2.701 10 0 AFAERN CNc1ccc(Cc2ccc[nH]2)cc1 259054266 573255493 /nfs/dbraw/zinc/25/54/93/573255493.db2.gz FFOKEWCGGHHMGX-UHFFFAOYSA-N 0 0 186.258 2.647 10 0 AFAERN CC[C@H]1Nc2cc(O)ccc2C[C@H]1C 238318602 573255597 /nfs/dbraw/zinc/25/55/97/573255597.db2.gz UDFPCHGDMLLOTL-LDYMZIIASA-N 0 0 191.274 2.775 10 0 AFAERN CCc1cc2cnsc2cc1OC 238318862 573255618 /nfs/dbraw/zinc/25/56/18/573255618.db2.gz CKZLADOWTYOAJL-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN CC[C@H](O)c1cc2ccccc2n1C 238318623 573255693 /nfs/dbraw/zinc/25/56/93/573255693.db2.gz KLLMBHYQYJTBAW-LBPRGKRZSA-N 0 0 189.258 2.622 10 0 AFAERN CNc1ccc2cccc(NC)c2c1 238317803 573255716 /nfs/dbraw/zinc/25/57/16/573255716.db2.gz ZZVMCLMUHXCQDN-UHFFFAOYSA-N 0 0 186.258 2.923 10 0 AFAERN CC[C@H]1Nc2cc(N)ccc2C[C@@H]1C 238318581 573255750 /nfs/dbraw/zinc/25/57/50/573255750.db2.gz FQAJUDPTQYEYLU-GZMMTYOYSA-N 0 0 190.290 2.652 10 0 AFAERN CC[C@H]1Nc2c(O)cccc2C[C@H]1C 238318455 573255759 /nfs/dbraw/zinc/25/57/59/573255759.db2.gz JMUCLUMFIKUIGY-PSASIEDQSA-N 0 0 191.274 2.775 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)c1cc(C)co1 715742337 573256229 /nfs/dbraw/zinc/25/62/29/573256229.db2.gz CEIBGAXWPZGWFG-MWLCHTKSSA-N 0 0 182.263 2.842 10 0 AFAERN CC/C=C\C(=O)OCC=C1CCC1 308328238 573256267 /nfs/dbraw/zinc/25/62/67/573256267.db2.gz HBCLVUJTPJIWBE-CLTKARDFSA-N 0 0 180.247 2.606 10 0 AFAERN CCc1cc(C)c(Cl)cc1O 238319463 573256283 /nfs/dbraw/zinc/25/62/83/573256283.db2.gz ULIFMJOFOIHXOQ-UHFFFAOYSA-N 0 0 170.639 2.916 10 0 AFAERN CCc1cc(C)c(NC(C)=O)c(C)c1 238319564 573256289 /nfs/dbraw/zinc/25/62/89/573256289.db2.gz TUBGCFDRMWYPKR-UHFFFAOYSA-N 0 0 191.274 2.824 10 0 AFAERN CCc1cc(C)c(NC(C)=O)cc1C 238319580 573256905 /nfs/dbraw/zinc/25/69/05/573256905.db2.gz WTPVDNWESSHTHJ-UHFFFAOYSA-N 0 0 191.274 2.824 10 0 AFAERN CSc1ccnc2c(N)cccc12 116323324 573256907 /nfs/dbraw/zinc/25/69/07/573256907.db2.gz IWSVJMJEXJOOOD-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CCc1cc2[nH]c(=S)[nH]c2cc1F 238319230 573256921 /nfs/dbraw/zinc/25/69/21/573256921.db2.gz CORBOXIPWXQUGH-UHFFFAOYSA-N 0 0 196.250 2.553 10 0 AFAERN CCC(=O)c1ccc(C(C)(C)C)nc1 116285079 573256955 /nfs/dbraw/zinc/25/69/55/573256955.db2.gz JKKIPTYTTTYWGL-UHFFFAOYSA-N 0 0 191.274 2.972 10 0 AFAERN CCc1cc(C)c(C(C)=O)c(C)c1O 238319144 573256958 /nfs/dbraw/zinc/25/69/58/573256958.db2.gz WEYNIRMJIUQJFJ-UHFFFAOYSA-N 0 0 192.258 2.774 10 0 AFAERN Cc1ccc(-c2ccncc2)c(N)c1 116323143 573256978 /nfs/dbraw/zinc/25/69/78/573256978.db2.gz IXXKYXBGHRSOBX-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC[C@]1(C)Nc2ccccc2CO1 238319249 573257042 /nfs/dbraw/zinc/25/70/42/573257042.db2.gz RJWGGNQKTWSCMH-LLVKDONJSA-N 0 0 177.247 2.755 10 0 AFAERN CCc1cc(C)c(C)cc1NC(C)=O 238319327 573257055 /nfs/dbraw/zinc/25/70/55/573257055.db2.gz OAECNEZCLZZZQX-UHFFFAOYSA-N 0 0 191.274 2.824 10 0 AFAERN Cc1ccc(-c2cccnc2)c(N)c1 116322631 573257117 /nfs/dbraw/zinc/25/71/17/573257117.db2.gz KBDCLGUARKHPCU-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN COC(=O)N[C@@]1(C)CC[C@@H](C(C)C)C1 238319027 573257219 /nfs/dbraw/zinc/25/72/19/573257219.db2.gz XNXUFIVUKGXKLV-KOLCDFICSA-N 0 0 199.294 2.557 10 0 AFAERN CCc1cc(C)c(C)c(NC(C)=O)c1 238319288 573257225 /nfs/dbraw/zinc/25/72/25/573257225.db2.gz ZNGSHFINNCGJRO-UHFFFAOYSA-N 0 0 191.274 2.824 10 0 AFAERN CCc1cc(C)c(O)c(C(C)=O)c1C 238319617 573257338 /nfs/dbraw/zinc/25/73/38/573257338.db2.gz FJOCVVHRBGHHKL-UHFFFAOYSA-N 0 0 192.258 2.774 10 0 AFAERN CC[C@]1(C)O[C@@](C)(CC)c2[nH]cnc21 238319357 573257771 /nfs/dbraw/zinc/25/77/71/573257771.db2.gz AYAKRPFRMFZMOZ-QWRGUYRKSA-N 0 0 194.278 2.690 10 0 AFAERN CCc1cc2[nH]c(Cl)nc2cc1F 238319104 573257859 /nfs/dbraw/zinc/25/78/59/573257859.db2.gz JESWQHMGLZQHIH-UHFFFAOYSA-N 0 0 198.628 2.918 10 0 AFAERN CCc1cc(C)c(C(C)=O)c(O)c1C 238319176 573257903 /nfs/dbraw/zinc/25/79/03/573257903.db2.gz DGTWJFISDYVFBI-UHFFFAOYSA-N 0 0 192.258 2.774 10 0 AFAERN CC[C@H](C)Nc1cccc(N(C)C)c1 116321236 573257913 /nfs/dbraw/zinc/25/79/13/573257913.db2.gz FFMQRTXREKJZQU-JTQLQIEISA-N 0 0 192.306 2.963 10 0 AFAERN CCc1cc(C)c(CC)c(O)c1 238319430 573257990 /nfs/dbraw/zinc/25/79/90/573257990.db2.gz IFAMACDXNPLWLO-UHFFFAOYSA-N 0 0 164.248 2.825 10 0 AFAERN CCc1cc(C)c(C)c(C(C)=O)c1O 238319258 573258028 /nfs/dbraw/zinc/25/80/28/573258028.db2.gz URWQWMMZJROLAM-UHFFFAOYSA-N 0 0 192.258 2.774 10 0 AFAERN CC1CC(C(=O)OCC(C)(C)C)C1 308329331 573258065 /nfs/dbraw/zinc/25/80/65/573258065.db2.gz JJUMDINXDAPVAJ-UHFFFAOYSA-N 0 0 184.279 2.622 10 0 AFAERN C[C@@H](F)c1cccnc1Cl 258488343 573258081 /nfs/dbraw/zinc/25/80/81/573258081.db2.gz JTOIPWLSTYAQFT-RXMQYKEDSA-N 0 0 159.591 2.766 10 0 AFAERN Cc1ccccc1Cc1[nH]cnc1C 142341989 573259990 /nfs/dbraw/zinc/25/99/90/573259990.db2.gz IOIFHLFCAJFXCJ-UHFFFAOYSA-N 0 0 186.258 2.617 10 0 AFAERN CC(C)(O)c1csc(C2CCC2)n1 259399213 573261024 /nfs/dbraw/zinc/26/10/24/573261024.db2.gz TUDJJRPYJIBHNM-UHFFFAOYSA-N 0 0 197.303 2.638 10 0 AFAERN CC1CCC(C(=O)NC(C)(C)C)CC1 116290719 573261101 /nfs/dbraw/zinc/26/11/01/573261101.db2.gz HLFPYDNXLLTHBH-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H](C)Nc1cccc(N(C)C)c1 116321234 573261204 /nfs/dbraw/zinc/26/12/04/573261204.db2.gz FFMQRTXREKJZQU-SNVBAGLBSA-N 0 0 192.306 2.963 10 0 AFAERN CONCc1cc(C)c(C)c(Cl)c1 257982154 573261288 /nfs/dbraw/zinc/26/12/88/573261288.db2.gz ALVWQKAIAHOYKO-UHFFFAOYSA-N 0 0 199.681 2.608 10 0 AFAERN CCC[C@@](O)(CC)c1cc(C)co1 715742986 573261313 /nfs/dbraw/zinc/26/13/13/573261313.db2.gz GQMGFDXYZRWILK-NSHDSACASA-N 0 0 182.263 2.986 10 0 AFAERN Cc1nc2c(N)cccc2c(C)c1C 142303494 573261364 /nfs/dbraw/zinc/26/13/64/573261364.db2.gz RDXLEXJNEXYPEY-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN Cc1ccc(NC(C)(C)CCO)cc1 259057020 573261399 /nfs/dbraw/zinc/26/13/99/573261399.db2.gz WFNRADQTNSJDNA-UHFFFAOYSA-N 0 0 193.290 2.568 10 0 AFAERN Cc1ccc([C@@H](C)SCCO)cc1 238422672 573261486 /nfs/dbraw/zinc/26/14/86/573261486.db2.gz ASIHPMPODWOXTJ-SNVBAGLBSA-N 0 0 196.315 2.782 10 0 AFAERN CCC(=O)CO[C@H](C)c1ccccc1 50181669 573270280 /nfs/dbraw/zinc/27/02/80/573270280.db2.gz OERDFYSZXZVLHD-SNVBAGLBSA-N 0 0 192.258 2.743 10 0 AFAERN CC(=O)c1cnc(C2CCCCC2)o1 258268925 573270319 /nfs/dbraw/zinc/27/03/19/573270319.db2.gz XTDXYWMGMNNZDP-UHFFFAOYSA-N 0 0 193.246 2.925 10 0 AFAERN C[C@H]1Cc2c(cccc2[C@@H](C)O)S1 258269498 573270382 /nfs/dbraw/zinc/27/03/82/573270382.db2.gz YXZCFMXTPITGFM-JGVFFNPUSA-N 0 0 194.299 2.777 10 0 AFAERN CN[C@@H](CC1(C)CCC1)C(F)(F)F 308339338 573270398 /nfs/dbraw/zinc/27/03/98/573270398.db2.gz PYOPGLPGYXPNDQ-ZETCQYMHSA-N 0 0 195.228 2.717 10 0 AFAERN CCc1nn([C@H](C)CC(C)C)cc1N 716658712 573270453 /nfs/dbraw/zinc/27/04/53/573270453.db2.gz NUZOVKAOTCXLRO-SECBINFHSA-N 0 0 195.310 2.635 10 0 AFAERN CCC(=O)CO[C@@H]1CCCC[C@@H]1CC 50181095 573270680 /nfs/dbraw/zinc/27/06/80/573270680.db2.gz XJTZFWGWXLDVST-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1csc2ccc(CON)cc12 258271667 573270708 /nfs/dbraw/zinc/27/07/08/573270708.db2.gz ZAIMPDGXFXXJCX-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN C[C@@H](O)CC/C=C/c1ccc(O)cc1 308338030 573270792 /nfs/dbraw/zinc/27/07/92/573270792.db2.gz STYRLFQQFODVTQ-RXNUUUNCSA-N 0 0 192.258 2.566 10 0 AFAERN C[C@H](O)CCC[C@@]12CC[C@]1(C)C2 238431796 573270819 /nfs/dbraw/zinc/27/08/19/573270819.db2.gz MLNOLYGSWOHSRA-AXFHLTTASA-N 0 0 168.280 2.728 10 0 AFAERN CCc1cc(F)cc2c1CCCC2=O 238330167 573270866 /nfs/dbraw/zinc/27/08/66/573270866.db2.gz XMIXYYVFSLQQGQ-UHFFFAOYSA-N 0 0 192.233 2.907 10 0 AFAERN C[NH2+][C@@H](C)c1coc(CC(C)(C)C)n1 258274959 573270961 /nfs/dbraw/zinc/27/09/61/573270961.db2.gz YBBAOMZOFBFBLN-QMMMGPOBSA-N 0 0 196.294 2.544 10 0 AFAERN CCC(=O)COC[C@H]1CC=CC[C@@H]1C 50181686 573271000 /nfs/dbraw/zinc/27/10/00/573271000.db2.gz LJTPUFRDOCBOPY-WDEREUQCSA-N 0 0 196.290 2.584 10 0 AFAERN Cc1nccn1CC[C@@H]1C[C@@H]1C1CC1 714876794 573271017 /nfs/dbraw/zinc/27/10/17/573271017.db2.gz ZPTOKTFNLAEBQQ-VXGBXAGGSA-N 0 0 190.290 2.628 10 0 AFAERN CCC(=O)CO[C@@H]1CCCC[C@H]1C 50181122 573272866 /nfs/dbraw/zinc/27/28/66/573272866.db2.gz YPZUGCBIKURVDE-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1nccn1CC[C@H]1C[C@@H]1C1CC1 714876792 573272888 /nfs/dbraw/zinc/27/28/88/573272888.db2.gz ZPTOKTFNLAEBQQ-NWDGAFQWSA-N 0 0 190.290 2.628 10 0 AFAERN CCC1(C[C@]2(C)CCC(=O)N2)CCC1 686135205 573272933 /nfs/dbraw/zinc/27/29/33/573272933.db2.gz BDZXOXHNNYHCJB-NSHDSACASA-N 0 0 195.306 2.626 10 0 AFAERN Clc1ccnc(COC2CCC2)c1 86130838 573273038 /nfs/dbraw/zinc/27/30/38/573273038.db2.gz HTJQYIXFBKXSSU-UHFFFAOYSA-N 0 0 197.665 2.804 10 0 AFAERN C[C@@H]1CCCc2ccc(CNO)cc21 257986991 573273084 /nfs/dbraw/zinc/27/30/84/573273084.db2.gz FFAOBQBLJZVSPI-SECBINFHSA-N 0 0 191.274 2.605 10 0 AFAERN CCC(=O)COc1ccc(C)cc1C 50181238 573273158 /nfs/dbraw/zinc/27/31/58/573273158.db2.gz YNLMBGGNAQDUAU-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN Cc1nccn1CC[C@@H]1C[C@H]1C1CC1 714876791 573273163 /nfs/dbraw/zinc/27/31/63/573273163.db2.gz ZPTOKTFNLAEBQQ-NEPJUHHUSA-N 0 0 190.290 2.628 10 0 AFAERN C[C@H](O)CCCC1=C[C@@H](C)CC1 238429565 573273191 /nfs/dbraw/zinc/27/31/91/573273191.db2.gz DNOTYILPFZTQLC-UWVGGRQHSA-N 0 0 168.280 2.894 10 0 AFAERN COCc1ccccc1NC(C)=S 238330112 573273231 /nfs/dbraw/zinc/27/32/31/573273231.db2.gz ZNCMCRLTWRTYEP-UHFFFAOYSA-N 0 0 195.287 2.592 10 0 AFAERN CC[C@]1(C)CCC[C@@H](C)C1=O 142454872 573273273 /nfs/dbraw/zinc/27/32/73/573273273.db2.gz SCRIFTYGACPQTF-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN CCC1(CNOCC(C)C)CCC1 308338991 573273277 /nfs/dbraw/zinc/27/32/77/573273277.db2.gz PVAOKCUGOFHWNP-UHFFFAOYSA-N 0 0 185.311 2.744 10 0 AFAERN CCCn1c(=S)[nH]c2cccnc21 86159872 573275444 /nfs/dbraw/zinc/27/54/44/573275444.db2.gz AOVBEXZLGKHVNG-UHFFFAOYSA-N 0 0 193.275 2.504 10 0 AFAERN CCC(=O)[C@H](C)C(C)(C)C 86161678 573275816 /nfs/dbraw/zinc/27/58/16/573275816.db2.gz NIZGHKWTGTZAQQ-ZETCQYMHSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@H]1Cc2ccccc2[C@@H](O)C1 116394187 573275820 /nfs/dbraw/zinc/27/58/20/573275820.db2.gz UIEDLHDVGSNRMH-CABZTGNLSA-N 0 0 176.259 2.692 10 0 AFAERN CCC(=O)[C@@H](C)C(C)(C)C 86161677 573275906 /nfs/dbraw/zinc/27/59/06/573275906.db2.gz NIZGHKWTGTZAQQ-SSDOTTSWSA-N 0 0 142.242 2.648 10 0 AFAERN C[C@H](N)c1nc2ccc(Cl)cc2o1 74240759 573275979 /nfs/dbraw/zinc/27/59/79/573275979.db2.gz OXDLUUFXOMFERA-YFKPBYRVSA-N 0 0 196.637 2.501 10 0 AFAERN O=Cc1cccc(C2CCCC2)c1O 197262032 573276163 /nfs/dbraw/zinc/27/61/63/573276163.db2.gz JJAINLLSFKSEQZ-UHFFFAOYSA-N 0 0 190.242 2.862 10 0 AFAERN CCc1cc(F)cc2oncc12 238330676 573276203 /nfs/dbraw/zinc/27/62/03/573276203.db2.gz DSPVKUCKXNWMAK-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN CC1=NN(CC(C)C)C(=O)C1C(C)C 116396682 573276206 /nfs/dbraw/zinc/27/62/06/573276206.db2.gz BCGHMRNBXYYLQU-UHFFFAOYSA-N 0 0 196.294 2.677 10 0 AFAERN CCC(=O)[C@H]1CCCC[C@@H]1C 86161668 573276231 /nfs/dbraw/zinc/27/62/31/573276231.db2.gz FYWUIXARVXZSRV-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)[C@@H](C)c1cccc(F)c1 86161722 573277263 /nfs/dbraw/zinc/27/72/63/573277263.db2.gz ISFJMQIUIGTCAC-QMMMGPOBSA-N 0 0 180.222 2.908 10 0 AFAERN CCC(=O)[C@@H](CC)C(C)C 86161541 573279150 /nfs/dbraw/zinc/27/91/50/573279150.db2.gz VWBMPFHSRKEJKO-QMMMGPOBSA-N 0 0 142.242 2.648 10 0 AFAERN CCc1cc(F)ccc1COC 238330971 573279168 /nfs/dbraw/zinc/27/91/68/573279168.db2.gz RVMCMJIXKRSCQJ-UHFFFAOYSA-N 0 0 168.211 2.535 10 0 AFAERN CCC(=O)[C@@H]1CCO[C@@](C)(CC)C1 86161644 573279179 /nfs/dbraw/zinc/27/91/79/573279179.db2.gz XKPGYIUCOZURIT-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(CC)C[C@@]1(O)CCSC1 129392669 573279188 /nfs/dbraw/zinc/27/91/88/573279188.db2.gz XDOIOYKOFYYHEU-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN OCc1ccc([C@@H]2CCC2(F)F)cc1 257992143 573279196 /nfs/dbraw/zinc/27/91/96/573279196.db2.gz FMUOXORJKHRPCQ-JTQLQIEISA-N 0 0 198.212 2.692 10 0 AFAERN C/C=C/COc1cccc(F)c1F 116402995 573279208 /nfs/dbraw/zinc/27/92/08/573279208.db2.gz IVZKLVNXRDYEEO-NSCUHMNNSA-N 0 0 184.185 2.920 10 0 AFAERN CCC(CC)c1nccc(C(C)=O)n1 308537165 573279279 /nfs/dbraw/zinc/27/92/79/573279279.db2.gz SBUZKVCOVUFZNP-UHFFFAOYSA-N 0 0 192.262 2.583 10 0 AFAERN C[C@@H](O)CCC[C@@]1(C)CCCC(=O)C1 238432004 573279351 /nfs/dbraw/zinc/27/93/51/573279351.db2.gz DALOPXNCTDJYTD-PWSUYJOCSA-N 0 0 198.306 2.687 10 0 AFAERN OCc1ccc([C@H]2CCC2(F)F)cc1 257992148 573279399 /nfs/dbraw/zinc/27/93/99/573279399.db2.gz FMUOXORJKHRPCQ-SNVBAGLBSA-N 0 0 198.212 2.692 10 0 AFAERN CCC(=O)[C@@H]1CCCC[C@@H]1C 86161667 573279416 /nfs/dbraw/zinc/27/94/16/573279416.db2.gz FYWUIXARVXZSRV-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN COc1cc(C(C)C)c(O)cc1F 238335032 573279455 /nfs/dbraw/zinc/27/94/55/573279455.db2.gz IHZQLBJRIZVNKK-UHFFFAOYSA-N 0 0 184.210 2.663 10 0 AFAERN CC[C@@H](O)[C@H](C)C1CCCCC1 86166840 573280784 /nfs/dbraw/zinc/28/07/84/573280784.db2.gz MYZLGYHAZXJDMC-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)[C@H](C)C1CCCCC1 86166838 573280799 /nfs/dbraw/zinc/28/07/99/573280799.db2.gz MYZLGYHAZXJDMC-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](N)c1ncc(C2CCCCC2)o1 74246169 573280849 /nfs/dbraw/zinc/28/08/49/573280849.db2.gz LXGFFPOLTNTGPR-QMMMGPOBSA-N 0 0 194.278 2.742 10 0 AFAERN CC[C@H](C(=O)C(C)C)C(C)C 86166981 573280859 /nfs/dbraw/zinc/28/08/59/573280859.db2.gz XHHHVZBNHHMORE-VIFPVBQESA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@H](O)[C@H](C)c1ccccc1F 86166715 573280872 /nfs/dbraw/zinc/28/08/72/573280872.db2.gz FTJHVVFURHRXBI-KCJUWKMLSA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@H](O)[C@@H](C)c1ccccc1F 86166712 573281003 /nfs/dbraw/zinc/28/10/03/573281003.db2.gz FTJHVVFURHRXBI-KWQFWETISA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@H]1CC(=O)c2ccccc2C1 116394125 573281042 /nfs/dbraw/zinc/28/10/42/573281042.db2.gz ZNXFRXRJFHISMW-SECBINFHSA-N 0 0 174.243 2.842 10 0 AFAERN C[C@H](NC(C)(C)C1CC1)C(F)(F)F 393580514 573281133 /nfs/dbraw/zinc/28/11/33/573281133.db2.gz HBGDOJWKIZRAFE-LURJTMIESA-N 0 0 195.228 2.715 10 0 AFAERN CC[C@@H](C(=O)C(C)C)C(C)C 86166982 573281134 /nfs/dbraw/zinc/28/11/34/573281134.db2.gz XHHHVZBNHHMORE-SECBINFHSA-N 0 0 156.269 2.894 10 0 AFAERN CC1(C[C@@H](NN)C(C)(C)C)CCCC1 308538458 573281571 /nfs/dbraw/zinc/28/15/71/573281571.db2.gz NABJQWIWOBUYKE-SNVBAGLBSA-N 0 0 198.354 2.835 10 0 AFAERN CCOCc1coc2ccc(O)cc12 257992321 573281620 /nfs/dbraw/zinc/28/16/20/573281620.db2.gz KFUVQBLTICXNCE-UHFFFAOYSA-N 0 0 192.214 2.675 10 0 AFAERN CC(C)C(=O)[C@@H]1CCC[C@H]1C 86167001 573281781 /nfs/dbraw/zinc/28/17/81/573281781.db2.gz BWKMICMIPCBBNJ-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)C(=O)[C@H](C)C(C)C 86167034 573281797 /nfs/dbraw/zinc/28/17/97/573281797.db2.gz WKSICMXNJHMHKY-MRVPVSSYSA-N 0 0 142.242 2.504 10 0 AFAERN CC[C@H](O)[C@@H](C)c1ccc(C)cc1 86166661 573281815 /nfs/dbraw/zinc/28/18/15/573281815.db2.gz GPFNLDRBJSIWJJ-JQWIXIFHSA-N 0 0 178.275 2.869 10 0 AFAERN CC[C@@]1(C)C[C@@H](C(=O)C(C)C)CCO1 86167184 573281900 /nfs/dbraw/zinc/28/19/00/573281900.db2.gz ACRCYBRPONKVLF-JQWIXIFHSA-N 0 0 198.306 2.807 10 0 AFAERN CCCC(=O)COc1cccc(C)c1 50185295 573283560 /nfs/dbraw/zinc/28/35/60/573283560.db2.gz FDEBPVHPRCWOIX-UHFFFAOYSA-N 0 0 192.258 2.743 10 0 AFAERN CC[C@@H](O)[C@H]1CCCC[C@@H]1C 86166486 573283608 /nfs/dbraw/zinc/28/36/08/573283608.db2.gz NEYTVRBFWKODCO-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](O)[C@@H]1CCC[C@H](C)[C@@H]1C 86166365 573283633 /nfs/dbraw/zinc/28/36/33/573283633.db2.gz GCZAZCUXBFKJCB-MMWGEVLESA-N 0 0 170.296 2.830 10 0 AFAERN CCCC(=O)CO[C@@H]1CCC[C@@H](C)C1 50185386 573283644 /nfs/dbraw/zinc/28/36/44/573283644.db2.gz NGKYCGVOKSORGC-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)C(=O)[C@H]1CCC[C@H]1C 86166997 573283676 /nfs/dbraw/zinc/28/36/76/573283676.db2.gz BWKMICMIPCBBNJ-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC1(c2noc(N)c2CC)CC1 308533484 573283688 /nfs/dbraw/zinc/28/36/88/573283688.db2.gz LNXXHSPJRCASJX-UHFFFAOYSA-N 0 0 194.278 2.651 10 0 AFAERN CC[C@@H](O)[C@@H](C)C1CCCC1 86166510 573283692 /nfs/dbraw/zinc/28/36/92/573283692.db2.gz ALWJGQFLVKKADQ-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@@H](C)C(=O)C(C)C 86167028 573283744 /nfs/dbraw/zinc/28/37/44/573283744.db2.gz QNOVNQYRXAADLX-SECBINFHSA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@H](O)[C@@H]1CCCC(C)(C)C1 86166429 573283751 /nfs/dbraw/zinc/28/37/51/573283751.db2.gz STZQJSBOLVNAFZ-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)[C@@H]1CC[C@H](C)C[C@@H]1C 86166737 573283762 /nfs/dbraw/zinc/28/37/62/573283762.db2.gz MZCVAERIWNOEGU-MMWGEVLESA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H](O)[C@H](C)c1ccccc1C 86166347 573283787 /nfs/dbraw/zinc/28/37/87/573283787.db2.gz BPCXXZBMRSWHOP-ZYHUDNBSSA-N 0 0 178.275 2.869 10 0 AFAERN CC(C)C(=O)[C@@H]1CCO[C@@H](C(C)C)C1 86167414 573283826 /nfs/dbraw/zinc/28/38/26/573283826.db2.gz RXRYUBCRZPCELB-GHMZBOCLSA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@@H](C)CC(=O)O[C@H]1C=CCC1 393580784 573283886 /nfs/dbraw/zinc/28/38/86/573283886.db2.gz FVBSNCROQYIFET-ZJUUUORDSA-N 0 0 182.263 2.684 10 0 AFAERN CC[C@@H](O)[C@@H]1CCCC[C@@H]1C 86166483 573283915 /nfs/dbraw/zinc/28/39/15/573283915.db2.gz NEYTVRBFWKODCO-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN c1ccc2c(c1)N[C@H]1CCSC[C@H]21 116422097 573283925 /nfs/dbraw/zinc/28/39/25/573283925.db2.gz VCEJLDZOGNTIPH-KOLCDFICSA-N 0 0 191.299 2.701 10 0 AFAERN CC[C@H](C)COC(=O)CC1CCC1 393580794 573283935 /nfs/dbraw/zinc/28/39/35/573283935.db2.gz FWZRWQYAKHLDSG-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN Nc1conc1-c1cccc(Cl)c1 74245602 573283978 /nfs/dbraw/zinc/28/39/78/573283978.db2.gz HHNRZJACESGCGV-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CC[C@H](O)[C@H](C)C1CCCC1 86166511 573283988 /nfs/dbraw/zinc/28/39/88/573283988.db2.gz ALWJGQFLVKKADQ-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@]1(C)C[C@H](C(=O)C(C)C)CCO1 86167179 573284019 /nfs/dbraw/zinc/28/40/19/573284019.db2.gz ACRCYBRPONKVLF-ZYHUDNBSSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](O)[C@@H](C)c1ccc(F)cc1 86166560 573284026 /nfs/dbraw/zinc/28/40/26/573284026.db2.gz PDFQVGVATXDWDT-KWQFWETISA-N 0 0 182.238 2.700 10 0 AFAERN CCCC(=O)CSCC(C)C 50185907 573284032 /nfs/dbraw/zinc/28/40/32/573284032.db2.gz BSJDBKFKNKOXDJ-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CC(C)C(=O)[C@@H](C)C(C)(C)C 86167264 573284061 /nfs/dbraw/zinc/28/40/61/573284061.db2.gz JOXCVBVVXXBEJB-MRVPVSSYSA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@H](O)C1[C@@H](C)CCC[C@@H]1C 86166710 573284375 /nfs/dbraw/zinc/28/43/75/573284375.db2.gz ZFRAIORDZIRIDT-GUBZILKMSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H](O)[C@@H](C)C1CCCCC1 86166835 573284513 /nfs/dbraw/zinc/28/45/13/573284513.db2.gz MYZLGYHAZXJDMC-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC(=O)CO[C@@H](C)CC(C)C 50185191 573284533 /nfs/dbraw/zinc/28/45/33/573284533.db2.gz VUNAAOJRGBUGAG-JTQLQIEISA-N 0 0 186.295 2.807 10 0 AFAERN CC[C@@H](O)[C@H](C)c1ccccc1F 86166717 573284549 /nfs/dbraw/zinc/28/45/49/573284549.db2.gz FTJHVVFURHRXBI-LDYMZIIASA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@H](O)[C@@H](C)c1ccccc1C 86166340 573284605 /nfs/dbraw/zinc/28/46/05/573284605.db2.gz BPCXXZBMRSWHOP-JQWIXIFHSA-N 0 0 178.275 2.869 10 0 AFAERN CC(C)C(=O)[C@@H](C)C(C)C 86167037 573284622 /nfs/dbraw/zinc/28/46/22/573284622.db2.gz WKSICMXNJHMHKY-QMMMGPOBSA-N 0 0 142.242 2.504 10 0 AFAERN CC[C@H]1CC[C@@H](n2cc(N)c(C)n2)C1 716681012 573284681 /nfs/dbraw/zinc/28/46/81/573284681.db2.gz IZQSSRZJPIDKHA-VHSXEESVSA-N 0 0 193.294 2.525 10 0 AFAERN COC(=O)C1(CC2CCCC2)CCC1 259068680 573284704 /nfs/dbraw/zinc/28/47/04/573284704.db2.gz GOVMSXMPVWOIOK-UHFFFAOYSA-N 0 0 196.290 2.910 10 0 AFAERN CC[C@@H](O)[C@H](C)c1cccc(F)c1 86166730 573284729 /nfs/dbraw/zinc/28/47/29/573284729.db2.gz UISPSMARENEHCN-LDYMZIIASA-N 0 0 182.238 2.700 10 0 AFAERN CCCCCCOCC(=O)CCC 50185376 573284739 /nfs/dbraw/zinc/28/47/39/573284739.db2.gz RJMNWKARKLROFJ-UHFFFAOYSA-N 0 0 186.295 2.953 10 0 AFAERN Cc1[nH]c(=S)n(C(C)(C)C)c1C 716682090 573284775 /nfs/dbraw/zinc/28/47/75/573284775.db2.gz DFMRVTXWQRFJRB-UHFFFAOYSA-N 0 0 184.308 2.544 10 0 AFAERN Cc1c(Cl)ccc2c1NC(=O)[C@H]2C 105903094 573284794 /nfs/dbraw/zinc/28/47/94/573284794.db2.gz WAEMFNCPKFVSSK-YFKPBYRVSA-N 0 0 195.649 2.704 10 0 AFAERN CC[C@@H](O)[C@@H](C)c1ccc(F)cc1 86166562 573284814 /nfs/dbraw/zinc/28/48/14/573284814.db2.gz PDFQVGVATXDWDT-GZMMTYOYSA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@H](C)[C@@H](C)C(=O)C(C)C 86167356 573284849 /nfs/dbraw/zinc/28/48/49/573284849.db2.gz CTQDVTQJPFEIDR-DTWKUNHWSA-N 0 0 156.269 2.894 10 0 AFAERN CC1(C[C@H](NN)C(C)(C)C)CCCC1 308538455 573285025 /nfs/dbraw/zinc/28/50/25/573285025.db2.gz NABJQWIWOBUYKE-JTQLQIEISA-N 0 0 198.354 2.835 10 0 AFAERN CC[C@@H]1CCCC[C@H]1/C=C\CO 401564788 573285027 /nfs/dbraw/zinc/28/50/27/573285027.db2.gz PELPDDUSPBEXAC-DFMQLTNGSA-N 0 0 168.280 2.751 10 0 AFAERN c1ccc2c(c1)N[C@@H]1CCSC[C@H]21 116422099 573285109 /nfs/dbraw/zinc/28/51/09/573285109.db2.gz VCEJLDZOGNTIPH-MWLCHTKSSA-N 0 0 191.299 2.701 10 0 AFAERN Nc1c(-c2ccco2)ccnc1Cl 74245608 573285188 /nfs/dbraw/zinc/28/51/88/573285188.db2.gz UOVWOMYFSGXINU-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN FC(F)(c1ccncc1)C1CC1 259067785 573285264 /nfs/dbraw/zinc/28/52/64/573285264.db2.gz XSIJBHONBXVUTL-UHFFFAOYSA-N 0 0 169.174 2.583 10 0 AFAERN CC[C@H](C)CC(=O)O[C@H]1C=CCC1 393580781 573285293 /nfs/dbraw/zinc/28/52/93/573285293.db2.gz FVBSNCROQYIFET-UWVGGRQHSA-N 0 0 182.263 2.684 10 0 AFAERN CON[C@@H](C)c1ccccc1Cl 105991419 573285301 /nfs/dbraw/zinc/28/53/01/573285301.db2.gz SIRUILUPVOZNAO-ZETCQYMHSA-N 0 0 185.654 2.552 10 0 AFAERN CC[C@@H]1CC[C@H](n2cc(N)c(C)n2)C1 716681016 573285329 /nfs/dbraw/zinc/28/53/29/573285329.db2.gz IZQSSRZJPIDKHA-ZJUUUORDSA-N 0 0 193.294 2.525 10 0 AFAERN CC(C)[C@H](O)[C@H](C)C(C)(C)C 86183633 573285396 /nfs/dbraw/zinc/28/53/96/573285396.db2.gz KORYHNYFTQLZPF-IUCAKERBSA-N 0 0 158.285 2.686 10 0 AFAERN CC(C)[C@H](O)[C@H](C)C1CCCC1 86183037 573285503 /nfs/dbraw/zinc/28/55/03/573285503.db2.gz VKPGUUUNTBDPOC-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)C(C)C 86183101 573285546 /nfs/dbraw/zinc/28/55/46/573285546.db2.gz AKQGREWPPDRGTR-VHSXEESVSA-N 0 0 158.285 2.686 10 0 AFAERN C[C@@H](O)c1cccc2c1[C@@H](C)CS2 258280066 573285578 /nfs/dbraw/zinc/28/55/78/573285578.db2.gz ZNLBWGWYWCHDQE-JGVFFNPUSA-N 0 0 194.299 2.949 10 0 AFAERN C[C@H](O)c1cccc2c1[C@@H](C)CS2 258280071 573286188 /nfs/dbraw/zinc/28/61/88/573286188.db2.gz ZNLBWGWYWCHDQE-YUMQZZPRSA-N 0 0 194.299 2.949 10 0 AFAERN CCc1cc(O)c(C(C)=O)c(CC)c1 238334723 573286192 /nfs/dbraw/zinc/28/61/92/573286192.db2.gz KGYXSSGTAMVSPJ-UHFFFAOYSA-N 0 0 192.258 2.720 10 0 AFAERN CCCC(=O)COC1CCCCC1 50185207 573286224 /nfs/dbraw/zinc/28/62/24/573286224.db2.gz LAZUSLVYDUQOSJ-UHFFFAOYSA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)[C@@H](O)[C@@H](C)C(C)(C)C 86183628 573286277 /nfs/dbraw/zinc/28/62/77/573286277.db2.gz KORYHNYFTQLZPF-RKDXNWHRSA-N 0 0 158.285 2.686 10 0 AFAERN Cc1nc(-c2ccco2)sc1C=O 74248378 573286318 /nfs/dbraw/zinc/28/63/18/573286318.db2.gz XJIHQPJWRIGAHG-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(C)(C)C1(C(F)(F)F)COC1 259068385 573286335 /nfs/dbraw/zinc/28/63/35/573286335.db2.gz BXKKWRXGVJSCMA-UHFFFAOYSA-N 0 0 182.185 2.611 10 0 AFAERN CCOC(C)(C)C(=O)C(CC)CC 132277106 573286394 /nfs/dbraw/zinc/28/63/94/573286394.db2.gz CFEZWKLFRSMAEF-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN CCCC(=O)CO[C@H](C)CC(C)C 50185192 573286449 /nfs/dbraw/zinc/28/64/49/573286449.db2.gz VUNAAOJRGBUGAG-SNVBAGLBSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)[C@H](O)[C@H](C)c1ccc(F)cc1 86183139 573286528 /nfs/dbraw/zinc/28/65/28/573286528.db2.gz HPVXRTNCODVWHT-SKDRFNHKSA-N 0 0 196.265 2.946 10 0 AFAERN CNc1ccc(N=O)c(C)c1C 238334902 573288178 /nfs/dbraw/zinc/28/81/78/573288178.db2.gz ZFAKCFSSWOHPRA-UHFFFAOYSA-N 0 0 164.208 2.743 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1/C=C\CO 401564789 573288194 /nfs/dbraw/zinc/28/81/94/573288194.db2.gz PELPDDUSPBEXAC-UGMIWWEVSA-N 0 0 168.280 2.751 10 0 AFAERN CCc1cc(N=O)cc(C)c1O 238334060 573288289 /nfs/dbraw/zinc/28/82/89/573288289.db2.gz MDHUAMKBRFXQSP-UHFFFAOYSA-N 0 0 165.192 2.661 10 0 AFAERN CCC1(C(=O)O[C@H](C)C(C)C)CC1 393580771 573288344 /nfs/dbraw/zinc/28/83/44/573288344.db2.gz FUSASZCIODZHIM-SECBINFHSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@@H]1C[C@@H]1n1c(C)c(C)[nH]c1=S 716682420 573288359 /nfs/dbraw/zinc/28/83/59/573288359.db2.gz DZHMUSYYTACFIJ-BDAKNGLRSA-N 0 0 196.319 2.760 10 0 AFAERN CC(C)[C@@H](O)[C@H](C)c1ccccc1F 86183365 573288368 /nfs/dbraw/zinc/28/83/68/573288368.db2.gz JFGXTJNUGMBEPP-BXKDBHETSA-N 0 0 196.265 2.946 10 0 AFAERN CC(C)[C@@H](O)[C@H](C)C1CCCC1 86183040 573288415 /nfs/dbraw/zinc/28/84/15/573288415.db2.gz VKPGUUUNTBDPOC-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cccc2sc(CCO)cc12 257994546 573290648 /nfs/dbraw/zinc/29/06/48/573290648.db2.gz WLFKCZOLZPCAJH-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN COc1cc(C)cc2c(O)cccc12 222998803 573290689 /nfs/dbraw/zinc/29/06/89/573290689.db2.gz APRYWFSMTLUWRD-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CCC[C@H](C)[C@H](O)CCCSC 233352276 573290874 /nfs/dbraw/zinc/29/08/74/573290874.db2.gz NLUDJUWDNXWBRT-VHSXEESVSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1ccc2c(C)cc(C)c(N)c2n1 116529466 573290882 /nfs/dbraw/zinc/29/08/82/573290882.db2.gz MZKAXLQFMDDWBE-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN CCc1cc(O)c(CC)c2c1COC2 238335119 573293912 /nfs/dbraw/zinc/29/39/12/573293912.db2.gz DCYAKGSVWZRXMN-UHFFFAOYSA-N 0 0 192.258 2.547 10 0 AFAERN Cc1ccc2c(c1)[C@H]([C@@H](C)O)CS2 258284174 573293945 /nfs/dbraw/zinc/29/39/45/573293945.db2.gz ZRVDPYBWHRRLHL-SCZZXKLOSA-N 0 0 194.299 2.565 10 0 AFAERN OC1(Cc2ccc3ccoc3c2)CC1 257996613 573293951 /nfs/dbraw/zinc/29/39/51/573293951.db2.gz FZURHLGDDJRMNA-UHFFFAOYSA-N 0 0 188.226 2.500 10 0 AFAERN C[C@H](O)Cc1ccc(C(C)(C)F)cc1 257996661 573294020 /nfs/dbraw/zinc/29/40/20/573294020.db2.gz GBEBIECWBVMRSF-VIFPVBQESA-N 0 0 196.265 2.815 10 0 AFAERN CCC[C@H](C)Nc1ccc(CO)cc1 132331203 573294050 /nfs/dbraw/zinc/29/40/50/573294050.db2.gz ORMXDYGRBFMILH-JTQLQIEISA-N 0 0 193.290 2.779 10 0 AFAERN O=Cc1cnc2cccc(Cl)c2c1 74271136 573294144 /nfs/dbraw/zinc/29/41/44/573294144.db2.gz KQOBNGMCJYLTQR-UHFFFAOYSA-N 0 0 191.617 2.701 10 0 AFAERN C[C@@H](O)Cc1ccc(C(C)(C)F)cc1 257996659 573296500 /nfs/dbraw/zinc/29/65/00/573296500.db2.gz GBEBIECWBVMRSF-SECBINFHSA-N 0 0 196.265 2.815 10 0 AFAERN Cc1ccc(C)c([C@]2(O)C[C@H]2C)c1 86196702 573296535 /nfs/dbraw/zinc/29/65/35/573296535.db2.gz KWBFUTLNMWJLRN-PWSUYJOCSA-N 0 0 176.259 2.531 10 0 AFAERN Cc1cscc1-c1c[nH]c(C=O)c1 74272213 573296586 /nfs/dbraw/zinc/29/65/86/573296586.db2.gz DCFMWWGLCRLEFV-UHFFFAOYSA-N 0 0 191.255 2.864 10 0 AFAERN Cc1cc(C)c([C@@]2(O)C[C@H]2C)c(C)c1 86196731 573296678 /nfs/dbraw/zinc/29/66/78/573296678.db2.gz OEDFIWMMPPYGAA-DGCLKSJQSA-N 0 0 190.286 2.839 10 0 AFAERN CSc1ccc([C@]2(O)C[C@@H]2C)cc1 86196791 573296975 /nfs/dbraw/zinc/29/69/75/573296975.db2.gz YMLCOAAEZDZQKV-KWQFWETISA-N 0 0 194.299 2.636 10 0 AFAERN CC(C)=CC[C@H]1CCCNC1=S 197296724 573297722 /nfs/dbraw/zinc/29/77/22/573297722.db2.gz XOMMNWNSKBSMIT-SECBINFHSA-N 0 0 183.320 2.670 10 0 AFAERN Cc1cc([C@]2(O)C[C@H]2C)sc1C 86196846 573298182 /nfs/dbraw/zinc/29/81/82/573298182.db2.gz QBWQENFGOAEEGD-XCBNKYQSSA-N 0 0 182.288 2.592 10 0 AFAERN CCn1c(C)cc2c(C=O)cccc21 257999208 573297883 /nfs/dbraw/zinc/29/78/83/573297883.db2.gz IJDAYLHCMQGDJH-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN Cc1cc(C)c([C@]2(O)C[C@@H]2C)c(C)c1 86196728 573297926 /nfs/dbraw/zinc/29/79/26/573297926.db2.gz OEDFIWMMPPYGAA-AAEUAGOBSA-N 0 0 190.286 2.839 10 0 AFAERN Cc1ccccc1CC[C@]1(O)C[C@@H]1C 86196740 573297937 /nfs/dbraw/zinc/29/79/37/573297937.db2.gz QDXAXWVARWTWHU-AAEUAGOBSA-N 0 0 190.286 2.699 10 0 AFAERN C[C@H]1C=CCCC(=O)C1(C)C 223011652 573297985 /nfs/dbraw/zinc/29/79/85/573297985.db2.gz NXWGCYURDQHPRM-QMMMGPOBSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1cc(C)cc(-c2[nH]ccc2N)c1 74280344 573298026 /nfs/dbraw/zinc/29/80/26/573298026.db2.gz RQKIVSQHMINODT-UHFFFAOYSA-N 0 0 186.258 2.881 10 0 AFAERN Cc1cc(C(C)C)cc(CCO)c1C 257999019 573298081 /nfs/dbraw/zinc/29/80/81/573298081.db2.gz GHKRCNXOSSJLOS-UHFFFAOYSA-N 0 0 192.302 2.962 10 0 AFAERN C[C@H]1C[C@@]1(O)Cc1cccc(Cl)c1 86196735 573298135 /nfs/dbraw/zinc/29/81/35/573298135.db2.gz HPEPKOUVHRICGU-GZMMTYOYSA-N 0 0 196.677 2.653 10 0 AFAERN CC(=O)c1c(F)ccc2occc12 257998856 573298140 /nfs/dbraw/zinc/29/81/40/573298140.db2.gz LPODTYTXWBDVBW-UHFFFAOYSA-N 0 0 178.162 2.775 10 0 AFAERN Oc1cccc(CCC(F)(F)F)c1 224877658 573306303 /nfs/dbraw/zinc/30/63/03/573306303.db2.gz DAPNWDSPEPVQAC-UHFFFAOYSA-N 0 0 190.164 2.887 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccccc1C 86199808 573305783 /nfs/dbraw/zinc/30/57/83/573305783.db2.gz CFYJOVPPKOXIMM-ZYHUDNBSSA-N 0 0 176.259 2.613 10 0 AFAERN CC(=O)c1c[nH]c([C@H](C)CC(C)C)n1 308548648 573305853 /nfs/dbraw/zinc/30/58/53/573305853.db2.gz OYPYXVUQAHZALE-MRVPVSSYSA-N 0 0 194.278 2.762 10 0 AFAERN CC[C@H]1CC=C[C@H](C)[C@@H]1C(C)=O 116669424 573305854 /nfs/dbraw/zinc/30/58/54/573305854.db2.gz NCGXHZTZEGNJFP-INTQDDNPSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1ccc([C@@]2(O)C[C@@H]2C)cc1C 86198489 573305861 /nfs/dbraw/zinc/30/58/61/573305861.db2.gz ABFFDOKUPJNAID-CMPLNLGQSA-N 0 0 176.259 2.531 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cc(C)cc(C)c1 86200012 573305868 /nfs/dbraw/zinc/30/58/68/573305868.db2.gz NTCKZUOFRZVEAH-WCQYABFASA-N 0 0 190.286 2.921 10 0 AFAERN C[C@@H]1C[C@]1(O)c1cccc(Cl)c1 86198552 573305903 /nfs/dbraw/zinc/30/59/03/573305903.db2.gz VASAMJDTGUHPMY-GMSGAONNSA-N 0 0 182.650 2.567 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cc(C)c(C)s1 86199720 573305923 /nfs/dbraw/zinc/30/59/23/573305923.db2.gz OBOVTPLTWIQXQC-ONGXEEELSA-N 0 0 196.315 2.982 10 0 AFAERN CCCC1([C@H](O)Cc2ccco2)CC1 308543880 573305952 /nfs/dbraw/zinc/30/59/52/573305952.db2.gz OVHWJOIPEYQLJT-LLVKDONJSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@H]1C[C@]1(O)CC(C)(C)C 86200266 573306045 /nfs/dbraw/zinc/30/60/45/573306045.db2.gz LZPGKUZVXSQIMH-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc([C@]2(O)C[C@@H]2C)cc1C 86198487 573306056 /nfs/dbraw/zinc/30/60/56/573306056.db2.gz ABFFDOKUPJNAID-JQWIXIFHSA-N 0 0 176.259 2.531 10 0 AFAERN CC[C@@H]1C[C@]1(O)Cc1cccc(F)c1 86199510 573306089 /nfs/dbraw/zinc/30/60/89/573306089.db2.gz ZFSFLBQJUATGFP-ZYHUDNBSSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@@H]1C[C@]1(O)CC(C)(C)C 86200264 573306097 /nfs/dbraw/zinc/30/60/97/573306097.db2.gz LZPGKUZVXSQIMH-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1CCCC[C@@H](CCCCO)C1=O 238454156 573306112 /nfs/dbraw/zinc/30/61/12/573306112.db2.gz GWLNLJBZRCCGEK-MNOVXSKESA-N 0 0 198.306 2.544 10 0 AFAERN CCCC(C)(C)CCCO 116790504 573306113 /nfs/dbraw/zinc/30/61/13/573306113.db2.gz WTANKZDWRWJBRG-UHFFFAOYSA-N 0 0 144.258 2.585 10 0 AFAERN OCc1cccc([C@H]2C[C@H]2C(F)F)c1 257999593 573306118 /nfs/dbraw/zinc/30/61/18/573306118.db2.gz GGJXDHXCPHUFSA-NXEZZACHSA-N 0 0 198.212 2.548 10 0 AFAERN CC(=O)C[C@H](O)[C@H](C)CC(C)=C(C)C 238453758 573306121 /nfs/dbraw/zinc/30/61/21/573306121.db2.gz ZISGGKFVNVEZLE-PWSUYJOCSA-N 0 0 198.306 2.709 10 0 AFAERN Cc1ccc([C@H]2CC[C@H](O)C2)cc1F 223995257 573308058 /nfs/dbraw/zinc/30/80/58/573308058.db2.gz ZUJXWQNTRJNZCO-ONGXEEELSA-N 0 0 194.249 2.763 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1c(F)cccc1F 86201075 573308075 /nfs/dbraw/zinc/30/80/75/573308075.db2.gz LUGHZAQKAKFWNW-CPCISQLKSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccccc1Cl 86200529 573308110 /nfs/dbraw/zinc/30/81/10/573308110.db2.gz XJJMWYAFKFIITK-KWQFWETISA-N 0 0 196.677 2.958 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(F)cc1F 86200541 573308121 /nfs/dbraw/zinc/30/81/21/573308121.db2.gz MRASLVLPNFDPPT-WRWORJQWSA-N 0 0 198.212 2.582 10 0 AFAERN C=C(Cl)c1ccccc1NC 238341006 573308126 /nfs/dbraw/zinc/30/81/26/573308126.db2.gz VSEJIOGPDJLVSZ-UHFFFAOYSA-N 0 0 167.639 2.938 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1sccc1C 86201055 573308171 /nfs/dbraw/zinc/30/81/71/573308171.db2.gz XUDQNYFHFYHYPS-PSASIEDQSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cccc(Cl)c1 86201403 573308194 /nfs/dbraw/zinc/30/81/94/573308194.db2.gz KJIYKROATNQBNV-GZMMTYOYSA-N 0 0 196.677 2.958 10 0 AFAERN Cc1coc([C@@](C)(O)[C@H]2CC2(C)C)c1 715763060 573308206 /nfs/dbraw/zinc/30/82/06/573308206.db2.gz OGNCWNGNDFVILG-CABZTGNLSA-N 0 0 194.274 2.842 10 0 AFAERN OCc1cccc([C@@H]2C[C@@H]2C(F)F)c1 257999594 573308240 /nfs/dbraw/zinc/30/82/40/573308240.db2.gz GGJXDHXCPHUFSA-UWVGGRQHSA-N 0 0 198.212 2.548 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(F)c(C)c1 86200610 573308257 /nfs/dbraw/zinc/30/82/57/573308257.db2.gz AHWXBQAXRBCOCV-SKDRFNHKSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@@H]1C[C@@]1(O)CC1CCCC1 86200557 573308277 /nfs/dbraw/zinc/30/82/77/573308277.db2.gz QLEOSIXSKWNLFT-MNOVXSKESA-N 0 0 168.280 2.728 10 0 AFAERN CCc1ccc([C@@]2(O)C[C@@H]2CC)s1 86200671 573308282 /nfs/dbraw/zinc/30/82/82/573308282.db2.gz QHCBOBDPVJUNIX-GZMMTYOYSA-N 0 0 196.315 2.928 10 0 AFAERN CC[C@@H]1C[C@@]1(O)Cc1ccc(C)cc1 86200920 573308289 /nfs/dbraw/zinc/30/82/89/573308289.db2.gz HBVAJGOWAWXCDF-OLZOCXBDSA-N 0 0 190.286 2.699 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(C)cc1 86200531 573308305 /nfs/dbraw/zinc/30/83/05/573308305.db2.gz RRHKWVMTCCLDRG-ZYHUDNBSSA-N 0 0 176.259 2.613 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(F)c(C)c1 86200608 573308311 /nfs/dbraw/zinc/30/83/11/573308311.db2.gz AHWXBQAXRBCOCV-JOYOIKCWSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1sccc1C 86201060 573308383 /nfs/dbraw/zinc/30/83/83/573308383.db2.gz XUDQNYFHFYHYPS-WPRPVWTQSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cc(C)oc1C 86200335 573308441 /nfs/dbraw/zinc/30/84/41/573308441.db2.gz CBHIEKVXZFKZHR-ONGXEEELSA-N 0 0 180.247 2.514 10 0 AFAERN CC[C@H]1C[C@]1(O)C(C)(C)CC 86200430 573308449 /nfs/dbraw/zinc/30/84/49/573308449.db2.gz QSZGALZZJHAPSC-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CC1CCC(C[C@H](NN)C(C)C)CC1 308545097 573309797 /nfs/dbraw/zinc/30/97/97/573309797.db2.gz VKIDMGBENKTFPR-MCIGGMRASA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(C)s1 86200514 573309813 /nfs/dbraw/zinc/30/98/13/573309813.db2.gz VNZVEYLRBUUZEK-PSASIEDQSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(F)c(C)c1 86200612 573309889 /nfs/dbraw/zinc/30/98/89/573309889.db2.gz AHWXBQAXRBCOCV-CABZTGNLSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1ccc(C2=C[C@@H](O)CC2)cc1F 223997756 573309907 /nfs/dbraw/zinc/30/99/07/573309907.db2.gz HLRNYPZREZPEQU-NSHDSACASA-N 0 0 192.233 2.672 10 0 AFAERN COc1cc(F)c(C)cc1OC(C)C 238346310 573309926 /nfs/dbraw/zinc/30/99/26/573309926.db2.gz CNERDKXQOBHIIY-UHFFFAOYSA-N 0 0 198.237 2.930 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccccc1Cl 86200522 573309945 /nfs/dbraw/zinc/30/99/45/573309945.db2.gz XJJMWYAFKFIITK-LDYMZIIASA-N 0 0 196.677 2.958 10 0 AFAERN COc1cc(F)c(C)cc1OC1CC1 238346331 573309956 /nfs/dbraw/zinc/30/99/56/573309956.db2.gz AQXLQTOQPZUKKX-UHFFFAOYSA-N 0 0 196.221 2.684 10 0 AFAERN C[C@H](N[C@@H](C)C(F)(F)F)C(C)(C)C 308343858 573309986 /nfs/dbraw/zinc/30/99/86/573309986.db2.gz SVNPVGCSBONSHH-BQBZGAKWSA-N 0 0 197.244 2.961 10 0 AFAERN CC(F)(F)c1ccc2ncoc2c1 259079963 573309992 /nfs/dbraw/zinc/30/99/92/573309992.db2.gz ZIOHDJUXSGSBQC-UHFFFAOYSA-N 0 0 183.157 2.940 10 0 AFAERN COc1ccc(F)c(CSC)c1 238346014 573310019 /nfs/dbraw/zinc/31/00/19/573310019.db2.gz KITKKQRGEOFMFG-UHFFFAOYSA-N 0 0 186.251 2.697 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cc(F)cc(F)c1 86201108 573310032 /nfs/dbraw/zinc/31/00/32/573310032.db2.gz LPFYHWNMBZZJHD-HQJQHLMTSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(C)cc1 86200536 573310115 /nfs/dbraw/zinc/31/01/15/573310115.db2.gz RRHKWVMTCCLDRG-JQWIXIFHSA-N 0 0 176.259 2.613 10 0 AFAERN C[C@H](N[C@H](C)C(F)(F)F)C(C)(C)C 308343859 573310146 /nfs/dbraw/zinc/31/01/46/573310146.db2.gz SVNPVGCSBONSHH-NKWVEPMBSA-N 0 0 197.244 2.961 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1c(C)oc(C)c1C 86201168 573310160 /nfs/dbraw/zinc/31/01/60/573310160.db2.gz BJTVSKQMMHJTLQ-JQWIXIFHSA-N 0 0 194.274 2.822 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1c(F)cccc1F 86201073 573310199 /nfs/dbraw/zinc/31/01/99/573310199.db2.gz LUGHZAQKAKFWNW-HQJQHLMTSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@@H]1C[C@@]1(O)Cc1ccccc1F 86200881 573310206 /nfs/dbraw/zinc/31/02/06/573310206.db2.gz JRXQEFDGQZGFCE-PWSUYJOCSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@H]1C[C@@]1(O)C1C(C)(C)C1(C)C 86201210 573310235 /nfs/dbraw/zinc/31/02/35/573310235.db2.gz ULXYLOPAMOZCFH-UFBFGSQYSA-N 0 0 182.307 2.830 10 0 AFAERN C=Cc1cncc(C)c1Cl 209762794 573310352 /nfs/dbraw/zinc/31/03/52/573310352.db2.gz YMUAYWBQFOSGGN-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN COc1ccc(Cl)nc1C(F)F 238344888 573310370 /nfs/dbraw/zinc/31/03/70/573310370.db2.gz CXYNGKXCRHQRTF-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN Cc1ccccc1[C@]1(CO)CC1(C)C 259081075 573314020 /nfs/dbraw/zinc/31/40/20/573314020.db2.gz ZMVLUJGRGHLFIE-CYBMUJFWSA-N 0 0 190.286 2.655 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1cc(C)oc1C 86203334 573314060 /nfs/dbraw/zinc/31/40/60/573314060.db2.gz GYHAUIFIGNRWKC-ZYHUDNBSSA-N 0 0 194.274 2.904 10 0 AFAERN C=Cc1cnc(C)c(Cl)c1 209765726 573314068 /nfs/dbraw/zinc/31/40/68/573314068.db2.gz AJCIHLOANALYKL-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1ccsc1 86202686 573314110 /nfs/dbraw/zinc/31/41/10/573314110.db2.gz TWVOXVQINXPTQD-SCZZXKLOSA-N 0 0 182.288 2.756 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1ccc(F)cc1 86204064 573314301 /nfs/dbraw/zinc/31/43/01/573314301.db2.gz MAVRDTWWDNPKHL-ZYHUDNBSSA-N 0 0 194.249 2.833 10 0 AFAERN C=Cc1cc(C)ncc1Cl 209766269 573314302 /nfs/dbraw/zinc/31/43/02/573314302.db2.gz NDLAURMMDYLVKT-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN C=Cc1ccc(Cl)c(C)n1 209764028 573314313 /nfs/dbraw/zinc/31/43/13/573314313.db2.gz WDASPSRJWWUCMU-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN Nc1ccc2scc(F)c2c1 258627589 573314338 /nfs/dbraw/zinc/31/43/38/573314338.db2.gz XJEQYXUHLATYOO-UHFFFAOYSA-N 0 0 167.208 2.623 10 0 AFAERN CSc1ccc(C)c(C(C)=O)c1 258000929 573314353 /nfs/dbraw/zinc/31/43/53/573314353.db2.gz LVLSKODCQHROHS-UHFFFAOYSA-N 0 0 180.272 2.920 10 0 AFAERN CC(F)(F)c1cccs1 259082504 573314357 /nfs/dbraw/zinc/31/43/57/573314357.db2.gz ZUBRBWMSYBJGMW-UHFFFAOYSA-N 0 0 148.177 2.860 10 0 AFAERN CC(C)/C(=C\C(C)(C)C)CO 86209577 573314361 /nfs/dbraw/zinc/31/43/61/573314361.db2.gz YXGDEAFNBIGSOH-TWGQIWQCSA-N 0 0 156.269 2.607 10 0 AFAERN CCC[C@@H]1C[C@]1(O)CC(C)C 86202807 573314445 /nfs/dbraw/zinc/31/44/45/573314445.db2.gz RUKBYUOCBSHHFX-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CCCCC[C@@H](NN)C1(CCC)CC1 308553828 573323725 /nfs/dbraw/zinc/32/37/25/573323725.db2.gz UDXQEIBFDHMJKA-LLVKDONJSA-N 0 0 198.354 2.979 10 0 AFAERN Cc1ccc(C(C)(C)F)cc1CNO 258003898 573323794 /nfs/dbraw/zinc/32/37/94/573323794.db2.gz GULQCBBPHOXDCU-UHFFFAOYSA-N 0 0 197.253 2.678 10 0 AFAERN CC(=O)CCc1ccc(O)cc1Cl 106876393 573323977 /nfs/dbraw/zinc/32/39/77/573323977.db2.gz ZMYKAVMVZMYTMI-UHFFFAOYSA-N 0 0 198.649 2.567 10 0 AFAERN CC(=O)C/C=C/c1ccc(F)cc1 117273166 573324155 /nfs/dbraw/zinc/32/41/55/573324155.db2.gz ICMODLPFRRZHAF-DUXPYHPUSA-N 0 0 178.206 2.818 10 0 AFAERN CC1(C)C(n2cccc2C=O)C1(C)C 86240759 573327966 /nfs/dbraw/zinc/32/79/66/573327966.db2.gz XMZOJCNLBQOZAA-UHFFFAOYSA-N 0 0 191.274 2.908 10 0 AFAERN CSCCCOc1ccccc1O 129518101 573328144 /nfs/dbraw/zinc/32/81/44/573328144.db2.gz LPAGNKWZQSCOBT-UHFFFAOYSA-N 0 0 198.287 2.524 10 0 AFAERN CCSCCOc1ccccc1O 129517635 573328252 /nfs/dbraw/zinc/32/82/52/573328252.db2.gz TUVFAULPIPTVCZ-UHFFFAOYSA-N 0 0 198.287 2.524 10 0 AFAERN CN1CCCCc2ccc(F)cc21 238343633 573328380 /nfs/dbraw/zinc/32/83/80/573328380.db2.gz XBVGDRYFYVPNRT-UHFFFAOYSA-N 0 0 179.238 2.598 10 0 AFAERN CCc1cc(F)ccc1CF 143635248 573328399 /nfs/dbraw/zinc/32/83/99/573328399.db2.gz DGJKTRWFKYECEL-UHFFFAOYSA-N 0 0 156.175 2.858 10 0 AFAERN CN1CCCCc2c(F)cccc21 238343421 573328442 /nfs/dbraw/zinc/32/84/42/573328442.db2.gz POTIZLDVIBABPA-UHFFFAOYSA-N 0 0 179.238 2.598 10 0 AFAERN Cc1cc(F)c2ncccc2c1F 143587072 573328490 /nfs/dbraw/zinc/32/84/90/573328490.db2.gz BVXUHGDAIMUZRU-UHFFFAOYSA-N 0 0 179.169 2.821 10 0 AFAERN CCCC1(C(=O)Cc2ccco2)CC1 308550172 573331023 /nfs/dbraw/zinc/33/10/23/573331023.db2.gz RLILJWHJOBVUSD-UHFFFAOYSA-N 0 0 192.258 2.972 10 0 AFAERN Cc1ccc(Cl)c(C)c1C[C@H](C)O 258003515 573333379 /nfs/dbraw/zinc/33/33/79/573333379.db2.gz CFGZUBODZUASDL-QMMMGPOBSA-N 0 0 198.693 2.880 10 0 AFAERN O=C1C[C@H]2CC(C3CCCC3)=C[C@@H]12 117418576 573337324 /nfs/dbraw/zinc/33/73/24/573337324.db2.gz ODRCKIZDEYMNAG-GHMZBOCLSA-N 0 0 176.259 2.712 10 0 AFAERN CCCCNc1cc(CCC)ncn1 40765549 573337333 /nfs/dbraw/zinc/33/73/33/573337333.db2.gz GKDTVEAQZAYJFH-UHFFFAOYSA-N 0 0 193.294 2.641 10 0 AFAERN C[C@H]1[C@@H]2C[C@H](C(=O)[C@@H]1C)C2(C)C 143638166 573337342 /nfs/dbraw/zinc/33/73/42/573337342.db2.gz GVXXGSUADYSRPJ-LURQLKTLSA-N 0 0 166.264 2.504 10 0 AFAERN COC(=O)[C@@H](C)[C@@H](C)c1cccs1 259608896 573337478 /nfs/dbraw/zinc/33/74/78/573337478.db2.gz HBGCZIAHYBMFMM-SFYZADRCSA-N 0 0 198.287 2.661 10 0 AFAERN Clc1cnc(-c2cccnc2)s1 258633409 573337526 /nfs/dbraw/zinc/33/75/26/573337526.db2.gz VQHNXOTXVXSOIE-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN CCCCC(=O)c1ccncc1C 132786564 573338690 /nfs/dbraw/zinc/33/86/90/573338690.db2.gz RQLDZPYRCLFXGI-UHFFFAOYSA-N 0 0 177.247 2.763 10 0 AFAERN C/C=C\COc1cccc([C@H](C)O)c1 208819560 573338697 /nfs/dbraw/zinc/33/86/97/573338697.db2.gz XFRWTZFQDFHOMJ-XOULXFPDSA-N 0 0 192.258 2.695 10 0 AFAERN O=C1C[C@H]2CC(C3CCCC3)=C[C@H]12 117418583 573338706 /nfs/dbraw/zinc/33/87/06/573338706.db2.gz ODRCKIZDEYMNAG-MNOVXSKESA-N 0 0 176.259 2.712 10 0 AFAERN C/C=C\COc1ccccc1[C@H](C)O 208819005 573338878 /nfs/dbraw/zinc/33/88/78/573338878.db2.gz MXSZNTMHPVZEMA-XOULXFPDSA-N 0 0 192.258 2.695 10 0 AFAERN C/C=C\COc1cccc([C@@H](C)O)c1 208819528 573338942 /nfs/dbraw/zinc/33/89/42/573338942.db2.gz XFRWTZFQDFHOMJ-UMBAGQNISA-N 0 0 192.258 2.695 10 0 AFAERN C/C=C\COc1ccc([C@H](C)O)cc1 208818422 573339024 /nfs/dbraw/zinc/33/90/24/573339024.db2.gz YKNWWQNKYCDAFW-XOULXFPDSA-N 0 0 192.258 2.695 10 0 AFAERN COC(=O)[C@H](C)[C@H](C)c1cccs1 259608893 573339038 /nfs/dbraw/zinc/33/90/38/573339038.db2.gz HBGCZIAHYBMFMM-JGVFFNPUSA-N 0 0 198.287 2.661 10 0 AFAERN CCC[C@@H](C)C[C@H](NN)C1(CC)CC1 308554732 573339117 /nfs/dbraw/zinc/33/91/17/573339117.db2.gz UQVRTQYYKCQTHS-MNOVXSKESA-N 0 0 198.354 2.835 10 0 AFAERN CC[C@@H](O)c1cccc2[nH]ccc12 117410814 573339188 /nfs/dbraw/zinc/33/91/88/573339188.db2.gz JIJMSJKKACYLPQ-LLVKDONJSA-N 0 0 175.231 2.611 10 0 AFAERN CCCCCC(=O)OC1CCC1 78073398 573339204 /nfs/dbraw/zinc/33/92/04/573339204.db2.gz RBVBXEBWURHDMA-UHFFFAOYSA-N 0 0 170.252 2.662 10 0 AFAERN C/C=C\COc1ccccc1[C@@H](C)O 208818971 573339235 /nfs/dbraw/zinc/33/92/35/573339235.db2.gz MXSZNTMHPVZEMA-UMBAGQNISA-N 0 0 192.258 2.695 10 0 AFAERN CC[C@H](CCCSC)C(C)=O 129590447 573341493 /nfs/dbraw/zinc/34/14/93/573341493.db2.gz SULWZFLSDBHXLY-SECBINFHSA-N 0 0 174.309 2.745 10 0 AFAERN CC[C@@H](CCCSC)C(C)=O 129590223 573341522 /nfs/dbraw/zinc/34/15/22/573341522.db2.gz SULWZFLSDBHXLY-VIFPVBQESA-N 0 0 174.309 2.745 10 0 AFAERN Clc1nccc2noc(C3CC3)c12 107076710 573341530 /nfs/dbraw/zinc/34/15/30/573341530.db2.gz QSXQEGPPNHUYOU-UHFFFAOYSA-N 0 0 194.621 2.754 10 0 AFAERN Cc1cc(-c2ccno2)ccc1F 259091359 573341596 /nfs/dbraw/zinc/34/15/96/573341596.db2.gz DXJPOOKTMPQHLJ-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN CCOC(=O)/C(C)=C\c1occc1C 308350670 573341805 /nfs/dbraw/zinc/34/18/05/573341805.db2.gz CCHRMUFUOJPOII-CLFYSBASSA-N 0 0 194.230 2.554 10 0 AFAERN CCc1ccc2ccnc(NC)c2c1 74389337 573341904 /nfs/dbraw/zinc/34/19/04/573341904.db2.gz NDZXHLPTHWABJY-UHFFFAOYSA-N 0 0 186.258 2.839 10 0 AFAERN COc1ccc([C@@H]2CC2(C)C)c(N)c1 238362793 573341925 /nfs/dbraw/zinc/34/19/25/573341925.db2.gz GDNWKEQIZRGNCO-JTQLQIEISA-N 0 0 191.274 2.791 10 0 AFAERN CCCC(=O)c1ccncc1CC 132801230 573342002 /nfs/dbraw/zinc/34/20/02/573342002.db2.gz CRKJFMONLHBEHZ-UHFFFAOYSA-N 0 0 177.247 2.627 10 0 AFAERN Cc1cc(C)c(CC[C@H](C)O)c(F)c1 235565505 573343493 /nfs/dbraw/zinc/34/34/93/573343493.db2.gz ZHJDQONBCUDIRB-JTQLQIEISA-N 0 0 196.265 2.756 10 0 AFAERN CCc1c[nH]c(=O)c2cccc(C)c12 258308759 573343551 /nfs/dbraw/zinc/34/35/51/573343551.db2.gz SXZACFCTESTVHZ-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN CC[C@@H](C)c1ccsc1N 107105225 573343595 /nfs/dbraw/zinc/34/35/95/573343595.db2.gz IVWYRANIUNFMNV-ZCFIWIBFSA-N 0 0 155.266 2.844 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@]1(O)C1CCC1 235562379 573343651 /nfs/dbraw/zinc/34/36/51/573343651.db2.gz RVCYAJZSULKXJT-CABZTGNLSA-N 0 0 182.307 2.974 10 0 AFAERN COc1cc(F)ccc1OC1CCC1 238357153 573344491 /nfs/dbraw/zinc/34/44/91/573344491.db2.gz VQBRRANKPYAMLG-UHFFFAOYSA-N 0 0 196.221 2.766 10 0 AFAERN Fc1cccc2c1SC1(CC1)CN2 259423923 573344504 /nfs/dbraw/zinc/34/45/04/573344504.db2.gz YRIHJNCKECVBIJ-UHFFFAOYSA-N 0 0 195.262 2.876 10 0 AFAERN CNc1[nH]c2ccccc2c1C 238362876 573344545 /nfs/dbraw/zinc/34/45/45/573344545.db2.gz HOPKQNOLHLXZCM-UHFFFAOYSA-N 0 0 160.220 2.518 10 0 AFAERN CC[C@@H](C)c1nn(C(C)C)cc1C=O 308556785 573344709 /nfs/dbraw/zinc/34/47/09/573344709.db2.gz SUVDLDFXELVYPY-SECBINFHSA-N 0 0 194.278 2.790 10 0 AFAERN COc1c(C)cc(C(F)F)nc1C 238356941 573344855 /nfs/dbraw/zinc/34/48/55/573344855.db2.gz OVNKOGRMXCSRRF-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN CCCC(=O)[C@H]1CCO[C@H](CC)C1 211947897 573344908 /nfs/dbraw/zinc/34/49/08/573344908.db2.gz LWRSFXSOMMUIOS-VHSXEESVSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](C)c1csc(N)c1 107105230 573344909 /nfs/dbraw/zinc/34/49/09/573344909.db2.gz CFXNORSUVSKADL-ZCFIWIBFSA-N 0 0 155.266 2.844 10 0 AFAERN c1nscc1OC1CCCCC1 258289609 573344925 /nfs/dbraw/zinc/34/49/25/573344925.db2.gz CAZYYYSKPOGRQS-UHFFFAOYSA-N 0 0 183.276 2.855 10 0 AFAERN CC1(C)Nc2ccccc2NC1=S 143693499 573345878 /nfs/dbraw/zinc/34/58/78/573345878.db2.gz UVISNKZYIHCSHL-UHFFFAOYSA-N 0 0 192.287 2.630 10 0 AFAERN Clc1ccccc1Oc1cn[nH]c1 258289358 573345906 /nfs/dbraw/zinc/34/59/06/573345906.db2.gz BYIOTAMTMBFRCM-UHFFFAOYSA-N 0 0 194.621 2.855 10 0 AFAERN CCCC(=O)[C@@H]1CCO[C@@H](CC)C1 211947970 573346001 /nfs/dbraw/zinc/34/60/01/573346001.db2.gz LWRSFXSOMMUIOS-ZJUUUORDSA-N 0 0 184.279 2.561 10 0 AFAERN CCSCC[C@H]1CCCCC1=O 129592253 573346035 /nfs/dbraw/zinc/34/60/35/573346035.db2.gz CHRTUUHQLDJMNE-SECBINFHSA-N 0 0 186.320 2.889 10 0 AFAERN CCCCC1(C(C)=O)CCC1 143669550 573346247 /nfs/dbraw/zinc/34/62/47/573346247.db2.gz KRGJQKANVYMLPS-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CCC[C@@H](OCC)[C@@H](O)C(C)(C)C 132797020 573346294 /nfs/dbraw/zinc/34/62/94/573346294.db2.gz RDCKUGFBAGHTAD-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN C[C@@H](CO)C1=Cc2ccccc2CC1 238369560 573347034 /nfs/dbraw/zinc/34/70/34/573347034.db2.gz UTABPVMUYAEVIX-JTQLQIEISA-N 0 0 188.270 2.645 10 0 AFAERN COc1cc(C)c(C)nc1C(F)F 238365923 573350542 /nfs/dbraw/zinc/35/05/42/573350542.db2.gz ITNNIOISUWPVCA-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN CSCCCc1cccc(N)c1 117577509 573350644 /nfs/dbraw/zinc/35/06/44/573350644.db2.gz IEBSRGPRXSMNLH-UHFFFAOYSA-N 0 0 181.304 2.564 10 0 AFAERN c1ccc2nc3c[nH]cc3cc2c1 117526472 573350695 /nfs/dbraw/zinc/35/06/95/573350695.db2.gz WAZSVCKLDOMJJX-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN COc1c(C)cccc1SC 238365716 573350742 /nfs/dbraw/zinc/35/07/42/573350742.db2.gz HPXOTHKSLCMBPG-UHFFFAOYSA-N 0 0 168.261 2.726 10 0 AFAERN Cc1cc(F)c(C(C)C)cc1CO 258006182 573350760 /nfs/dbraw/zinc/35/07/60/573350760.db2.gz GYWVICLQRAPDBJ-UHFFFAOYSA-N 0 0 182.238 2.750 10 0 AFAERN C1=C(Cc2ccccc2)C1 117539934 573350761 /nfs/dbraw/zinc/35/07/61/573350761.db2.gz UVDBABFLXQFOKV-UHFFFAOYSA-N 0 0 130.190 2.559 10 0 AFAERN Cc1cccc2c1C1(CC1)C(=O)CC2 259089745 573351793 /nfs/dbraw/zinc/35/17/93/573351793.db2.gz DENQUVAHLSLVQP-UHFFFAOYSA-N 0 0 186.254 2.542 10 0 AFAERN CCOCc1coc2cc(O)ccc12 258006123 573351899 /nfs/dbraw/zinc/35/18/99/573351899.db2.gz LKPBAWFKGJBOLR-UHFFFAOYSA-N 0 0 192.214 2.675 10 0 AFAERN C[C@@H](O)c1ccccc1C1CSC1 258006194 573351932 /nfs/dbraw/zinc/35/19/32/573351932.db2.gz GZOUCEUOCWGOPQ-MRVPVSSYSA-N 0 0 194.299 2.570 10 0 AFAERN CC(C)(C)C[C@@H](CC1(C)CCC1)NN 308558525 573351952 /nfs/dbraw/zinc/35/19/52/573351952.db2.gz CSJFGFPYYZDSIT-JTQLQIEISA-N 0 0 198.354 2.835 10 0 AFAERN CCOC(=O)/C(C)=C/[C@]1(C)C[C@@H]1C 714678527 573351970 /nfs/dbraw/zinc/35/19/70/573351970.db2.gz JQUXPQMYTNSIRO-HBUNZAKRSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)(C)C[C@H](CC1(C)CCC1)NN 308558526 573352067 /nfs/dbraw/zinc/35/20/67/573352067.db2.gz CSJFGFPYYZDSIT-SNVBAGLBSA-N 0 0 198.354 2.835 10 0 AFAERN CC(C)C(C(C)C)[C@H](CC1CC1)NN 308558950 573352111 /nfs/dbraw/zinc/35/21/11/573352111.db2.gz UVTBNSQNSBTSTC-NSHDSACASA-N 0 0 198.354 2.547 10 0 AFAERN CCOC(=O)/C(C)=C/[C@]1(C)C[C@H]1C 714678534 573353226 /nfs/dbraw/zinc/35/32/26/573353226.db2.gz JQUXPQMYTNSIRO-VAMACUPYSA-N 0 0 182.263 2.542 10 0 AFAERN COC(=O)/C=C(\CCC(C)C)C1CC1 308558992 573353229 /nfs/dbraw/zinc/35/32/29/573353229.db2.gz UXOPQVSGGYBPOV-DHZHZOJOSA-N 0 0 196.290 2.932 10 0 AFAERN CC(=O)[C@@H](C)[C@@H](C)C=C(C)C 238368000 573353237 /nfs/dbraw/zinc/35/32/37/573353237.db2.gz FPJPMBQGIDDOCQ-IUCAKERBSA-N 0 0 154.253 2.814 10 0 AFAERN CSc1ccc(CC(C)=O)cc1C 258009033 573353281 /nfs/dbraw/zinc/35/32/81/573353281.db2.gz HHKRRVUMVOCGAI-UHFFFAOYSA-N 0 0 194.299 2.848 10 0 AFAERN C[C@H](O)c1cc(F)cc2ccoc12 258006195 573353292 /nfs/dbraw/zinc/35/32/92/573353292.db2.gz MKXQWWMTRNFTJB-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN CC[C@H](Cn1c(C)ccc1C)OC 308364810 573353313 /nfs/dbraw/zinc/35/33/13/573353313.db2.gz GYTUAROPVHMTCE-LLVKDONJSA-N 0 0 181.279 2.530 10 0 AFAERN CC(C)=C[C@H](C)[C@H](O)C(C)(C)C 238368052 573353478 /nfs/dbraw/zinc/35/34/78/573353478.db2.gz ICYADBFVSVVISZ-UWVGGRQHSA-N 0 0 170.296 2.996 10 0 AFAERN COc1ccc2c(C)cc(O)cc2c1 238368313 573353550 /nfs/dbraw/zinc/35/35/50/573353550.db2.gz XAWJRBPXSICDRC-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN COc1ccc2c(C)c(C)[nH]c2c1F 238367948 573353587 /nfs/dbraw/zinc/35/35/87/573353587.db2.gz WBCDJGZVLPZPOD-UHFFFAOYSA-N 0 0 193.221 2.932 10 0 AFAERN COc1ccc2c(C)c[nH]c2c1F 238368224 573353598 /nfs/dbraw/zinc/35/35/98/573353598.db2.gz MZCKLBWYCLVGFM-UHFFFAOYSA-N 0 0 179.194 2.624 10 0 AFAERN CCC/C=C\COC(=O)C1CCC1 308357541 573353608 /nfs/dbraw/zinc/35/36/08/573353608.db2.gz BLRGWSXGVAOOEU-PLNGDYQASA-N 0 0 182.263 2.686 10 0 AFAERN O[C@H](CC1CC1)c1cc(F)cc(F)c1 82999831 573353653 /nfs/dbraw/zinc/35/36/53/573353653.db2.gz QMQMAFSLONGNNQ-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN Cc1cccc([C@H](O)CC2CC2)c1 82999798 573353660 /nfs/dbraw/zinc/35/36/60/573353660.db2.gz AJCKDJFSXMPQCD-GFCCVEGCSA-N 0 0 176.259 2.829 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1c1ccccc1F 83001755 573353699 /nfs/dbraw/zinc/35/36/99/573353699.db2.gz RIGMKMACHRFXQY-RKDXNWHRSA-N 0 0 192.233 2.908 10 0 AFAERN CCc1cnccc1[C@@H](O)CC(C)C 132855106 573353725 /nfs/dbraw/zinc/35/37/25/573353725.db2.gz CPIUEKROJBOOON-LBPRGKRZSA-N 0 0 193.290 2.724 10 0 AFAERN CC/C=C/C(=O)OCCC(C)(F)F 308356433 573353727 /nfs/dbraw/zinc/35/37/27/573353727.db2.gz KUBSXGOPOKZDTL-SNAWJCMRSA-N 0 0 192.205 2.541 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1c1cccs1 83001703 573353783 /nfs/dbraw/zinc/35/37/83/573353783.db2.gz CVTXBODJXPTFTA-HTQZYQBOSA-N 0 0 180.272 2.831 10 0 AFAERN CCCC(CCC)C1N=NC(=S)N1 132951161 573353807 /nfs/dbraw/zinc/35/38/07/573353807.db2.gz GHMYFMGMNAGBPR-UHFFFAOYSA-N 0 0 199.323 2.777 10 0 AFAERN CCOC(=O)/C(C)=C\[C@]1(C)C[C@H]1C 714678531 573353849 /nfs/dbraw/zinc/35/38/49/573353849.db2.gz JQUXPQMYTNSIRO-RSWVCDQLSA-N 0 0 182.263 2.542 10 0 AFAERN C[C@H]([NH2+]Cc1ccccn1)C(C)(C)C 132851456 573353854 /nfs/dbraw/zinc/35/38/54/573353854.db2.gz DUMOAWCZPYQJHL-JTQLQIEISA-N 0 0 192.306 2.606 10 0 AFAERN CC(C)(C)C[C@@H](O)CC1CC1 82999912 573353885 /nfs/dbraw/zinc/35/38/85/573353885.db2.gz XOGFINGCJCPIQE-VIFPVBQESA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)CS[C@H]1CCC(=O)[C@@H]1C 83000405 573353907 /nfs/dbraw/zinc/35/39/07/573353907.db2.gz PMWQWJFKUMBTIK-WPRPVWTQSA-N 0 0 186.320 2.743 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1c1cccs1 83001705 573353925 /nfs/dbraw/zinc/35/39/25/573353925.db2.gz CVTXBODJXPTFTA-SFYZADRCSA-N 0 0 180.272 2.831 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1c1ccccc1F 83001757 573353931 /nfs/dbraw/zinc/35/39/31/573353931.db2.gz RIGMKMACHRFXQY-BDAKNGLRSA-N 0 0 192.233 2.908 10 0 AFAERN C[C@@H]1CCC[C@H]([C@H](O)CC2CC2)C1 82999843 573354036 /nfs/dbraw/zinc/35/40/36/573354036.db2.gz ZDWYSZCEOOCKCL-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1Cc1ccsc1 83001946 573354041 /nfs/dbraw/zinc/35/40/41/573354041.db2.gz JJMKQEYUKFEHCA-WPRPVWTQSA-N 0 0 194.299 2.906 10 0 AFAERN CC(C)=C[C@H](C)[C@@H]1C=C[C@@H](O)C1 238368132 573354054 /nfs/dbraw/zinc/35/40/54/573354054.db2.gz LDZKUPFBQKWZEA-HBNTYKKESA-N 0 0 166.264 2.526 10 0 AFAERN CCCC1([C@@H](O)C2=CCCCO2)CC1 308561565 573354084 /nfs/dbraw/zinc/35/40/84/573354084.db2.gz XRYRXEAVQYFMFM-NSHDSACASA-N 0 0 196.290 2.622 10 0 AFAERN Cc1csc2cc(N)ccc12 107120261 573354088 /nfs/dbraw/zinc/35/40/88/573354088.db2.gz FBLZMRYZDIDDPM-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1Cc1ccccc1 83001739 573354089 /nfs/dbraw/zinc/35/40/89/573354089.db2.gz LVRWFFKJEWCLGQ-PWSUYJOCSA-N 0 0 188.270 2.844 10 0 AFAERN Cc1cnccc1[C@H](O)CCC1CC1 132851145 573354092 /nfs/dbraw/zinc/35/40/92/573354092.db2.gz AIWXAFQSRDVZNM-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1c1cccc(F)c1 83002515 573354096 /nfs/dbraw/zinc/35/40/96/573354096.db2.gz KDWQHJULJNJATK-LDYMZIIASA-N 0 0 192.233 2.908 10 0 AFAERN Cc1noc2cc(Cl)c(C=O)cc12 259426316 573354098 /nfs/dbraw/zinc/35/40/98/573354098.db2.gz NIYQSQUOABLDMT-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN O[C@@H](CC1CC1)c1ccsc1 82999781 573354144 /nfs/dbraw/zinc/35/41/44/573354144.db2.gz XDRRCAKGMSVNSA-VIFPVBQESA-N 0 0 168.261 2.582 10 0 AFAERN CC(C)CS[C@@H]1CCC(=O)[C@@H]1C 83000403 573354181 /nfs/dbraw/zinc/35/41/81/573354181.db2.gz PMWQWJFKUMBTIK-WCBMZHEXSA-N 0 0 186.320 2.743 10 0 AFAERN O=C(CC1CC1)c1ccsc1 82999649 573354188 /nfs/dbraw/zinc/35/41/88/573354188.db2.gz FLJBFBCQGSWYCY-UHFFFAOYSA-N 0 0 166.245 2.731 10 0 AFAERN O=C(CCc1ccccc1)CC1CC1 82999671 573356932 /nfs/dbraw/zinc/35/69/32/573356932.db2.gz XNIBQGZAHADEFW-UHFFFAOYSA-N 0 0 188.270 2.988 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1Cc1ccccc1 83001742 573356941 /nfs/dbraw/zinc/35/69/41/573356941.db2.gz LVRWFFKJEWCLGQ-CMPLNLGQSA-N 0 0 188.270 2.844 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1Cc1ccsc1 83001945 573356964 /nfs/dbraw/zinc/35/69/64/573356964.db2.gz JJMKQEYUKFEHCA-SCZZXKLOSA-N 0 0 194.299 2.906 10 0 AFAERN CC(C)CS[C@H]1CCC(=O)[C@H]1C 83000406 573357018 /nfs/dbraw/zinc/35/70/18/573357018.db2.gz PMWQWJFKUMBTIK-SCZZXKLOSA-N 0 0 186.320 2.743 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1SC(C)(C)C 83000473 573357047 /nfs/dbraw/zinc/35/70/47/573357047.db2.gz QAVNXWMHAYDJMM-APPZFPTMSA-N 0 0 186.320 2.886 10 0 AFAERN O[C@@H](CC1CC1)c1ccccc1F 82999884 573357077 /nfs/dbraw/zinc/35/70/77/573357077.db2.gz YGZGTJKASCQRDA-NSHDSACASA-N 0 0 180.222 2.659 10 0 AFAERN O[C@H](CC1CC1)c1cccc(F)c1 82999768 573357142 /nfs/dbraw/zinc/35/71/42/573357142.db2.gz SHGLAITXGLRKOX-LLVKDONJSA-N 0 0 180.222 2.659 10 0 AFAERN OCc1ccccc1[C@@H]1C[C@H]1C(F)F 258010788 573357197 /nfs/dbraw/zinc/35/71/97/573357197.db2.gz HEZZEOLJTJTKHL-VHSXEESVSA-N 0 0 198.212 2.548 10 0 AFAERN Cc1ccc(N2CCC(F)(F)C2)cc1 259426991 573358740 /nfs/dbraw/zinc/35/87/40/573358740.db2.gz UBUIYQYODLVUSZ-UHFFFAOYSA-N 0 0 197.228 2.840 10 0 AFAERN O=C(S)Nc1c[nH]c2ccccc12 258637842 573358764 /nfs/dbraw/zinc/35/87/64/573358764.db2.gz FNNVBGQMJPERBA-UHFFFAOYSA-N 0 0 192.243 2.630 10 0 AFAERN CC(C)CCCCNC(=O)C1CCC1 74600215 573358765 /nfs/dbraw/zinc/35/87/65/573358765.db2.gz VRCBDERWQCCWCG-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCn1c(Cl)cc2cccnc21 258009941 573358779 /nfs/dbraw/zinc/35/87/79/573358779.db2.gz MUUHFLHGAQPBSM-UHFFFAOYSA-N 0 0 180.638 2.710 10 0 AFAERN OCc1ccccc1[C@H]1C[C@H]1C(F)F 258010782 573358827 /nfs/dbraw/zinc/35/88/27/573358827.db2.gz HEZZEOLJTJTKHL-NXEZZACHSA-N 0 0 198.212 2.548 10 0 AFAERN CCCCC(=O)CC1CC1 86314989 573359045 /nfs/dbraw/zinc/35/90/45/573359045.db2.gz WYRZZKRSPDZZIG-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN CC(=O)c1ccc(CC(C)C)o1 107120802 573359062 /nfs/dbraw/zinc/35/90/62/573359062.db2.gz RZSKRCZTYROHSB-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN CC[C@H](CF)Nc1ccccc1 107121321 573359343 /nfs/dbraw/zinc/35/93/43/573359343.db2.gz BODYSXJBSGRQFD-SECBINFHSA-N 0 0 167.227 2.847 10 0 AFAERN C[C@@H]1CCCc2cnc(C3CC3)n21 258293102 573359354 /nfs/dbraw/zinc/35/93/54/573359354.db2.gz OEVOVQMXYWRROO-MRVPVSSYSA-N 0 0 176.263 2.658 10 0 AFAERN CCc1ccc(Cl)cc1C1(O)CC1 214862448 573359470 /nfs/dbraw/zinc/35/94/70/573359470.db2.gz LDXWXYURKWERHR-UHFFFAOYSA-N 0 0 196.677 2.884 10 0 AFAERN C[C@H]1Sc2ccccc2C(=O)[C@H]1C 86308372 573359500 /nfs/dbraw/zinc/35/95/00/573359500.db2.gz MJCCTFHIKVJQFC-JGVFFNPUSA-N 0 0 192.283 3.000 10 0 AFAERN COc1cc(Cl)c2sncc2c1 238360463 573359544 /nfs/dbraw/zinc/35/95/44/573359544.db2.gz BIORBWUKUMDDIW-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN CC[C@H](C)n1cc(N)c([C@H](C)CC)n1 308562882 573359551 /nfs/dbraw/zinc/35/95/51/573359551.db2.gz XDBZDFUROVASMX-BDAKNGLRSA-N 0 0 195.310 2.950 10 0 AFAERN Cc1ccc(C2(O)CC2)c(C)c1Cl 214862583 573359600 /nfs/dbraw/zinc/35/96/00/573359600.db2.gz GLFFNTJDRIZSPX-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN Cc1cc(C2(O)CC2)c(C)cc1Cl 214862720 573359705 /nfs/dbraw/zinc/35/97/05/573359705.db2.gz KSTVBEVGYRPHHA-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN CC(C)Nc1cccc(Cl)c1CO 117761835 573364127 /nfs/dbraw/zinc/36/41/27/573364127.db2.gz JJXUVYWNSNHQQJ-UHFFFAOYSA-N 0 0 199.681 2.653 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1cccc(F)c1 83036860 573364241 /nfs/dbraw/zinc/36/42/41/573364241.db2.gz QRYRFYNIAVOXHJ-UWJYBYFXSA-N 0 0 194.249 2.700 10 0 AFAERN CCCC[C@@H]1CC[C@H](O)[C@@H]1C 83035288 573364270 /nfs/dbraw/zinc/36/42/70/573364270.db2.gz XIUQKFOTPZASTN-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccccc1[C@@H]1CC[C@H](O)[C@@H]1C 83036504 573364367 /nfs/dbraw/zinc/36/43/67/573364367.db2.gz CMBMCGYSRCRVGB-RTXFEEFZSA-N 0 0 190.286 2.869 10 0 AFAERN C=Cc1c(C)ccc(OC)c1C 238361954 573364438 /nfs/dbraw/zinc/36/44/38/573364438.db2.gz REBCBQUIKSVBMV-UHFFFAOYSA-N 0 0 162.232 2.955 10 0 AFAERN CC(C)c1nc2c(O)cccc2o1 107125763 573365376 /nfs/dbraw/zinc/36/53/76/573365376.db2.gz DHNKBYJMESYALM-UHFFFAOYSA-N 0 0 177.203 2.657 10 0 AFAERN CC[C@H](O)c1cc(Cl)cs1 86333984 573365392 /nfs/dbraw/zinc/36/53/92/573365392.db2.gz AAGZLZFCAFWXPH-LURJTMIESA-N 0 0 176.668 2.845 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1c1ccccc1 83035219 573365412 /nfs/dbraw/zinc/36/54/12/573365412.db2.gz ZTUWIHVOPRGTNS-WCQGTBRESA-N 0 0 176.259 2.561 10 0 AFAERN Cc1ccc2oc([C@H](C)CO)cc2c1 258008822 573365464 /nfs/dbraw/zinc/36/54/64/573365464.db2.gz XPJRMMSXBGCSIO-SECBINFHSA-N 0 0 190.242 2.837 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1C1CCCCC1 83035926 573365472 /nfs/dbraw/zinc/36/54/72/573365472.db2.gz WYQSBEIANXUDHX-DLOVCJGASA-N 0 0 182.307 2.974 10 0 AFAERN CNc1onc(C)c1-c1ccccc1 238361864 573365481 /nfs/dbraw/zinc/36/54/81/573365481.db2.gz BGXLLGFBPOTBRC-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CCOC[C@H]1Cc2ccccc2S1 86330109 573365508 /nfs/dbraw/zinc/36/55/08/573365508.db2.gz NPDZYQWVUFZLQX-SNVBAGLBSA-N 0 0 194.299 2.740 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1ccccc1 83035225 573365563 /nfs/dbraw/zinc/36/55/63/573365563.db2.gz ZTUWIHVOPRGTNS-DLOVCJGASA-N 0 0 176.259 2.561 10 0 AFAERN C[C@H](OC(=O)CC1CCC1)C1CC1 308368213 573365625 /nfs/dbraw/zinc/36/56/25/573365625.db2.gz JEQLQDALXIWFSM-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN COc1cccc2c1SCCC2 238362021 573365702 /nfs/dbraw/zinc/36/57/02/573365702.db2.gz CQDQZADVAJJSAO-UHFFFAOYSA-N 0 0 180.272 2.734 10 0 AFAERN CCCCCCNOCC(C)C 133117829 573365745 /nfs/dbraw/zinc/36/57/45/573365745.db2.gz CVKSYYUGBGEBKM-UHFFFAOYSA-N 0 0 173.300 2.744 10 0 AFAERN CC(C)CC1=NC(=S)CS1 259427885 573365777 /nfs/dbraw/zinc/36/57/77/573365777.db2.gz VVPLSEFEQPPPGL-UHFFFAOYSA-N 0 0 173.306 2.630 10 0 AFAERN O[C@H](c1cc(Cl)cs1)C1CC1 86333873 573365862 /nfs/dbraw/zinc/36/58/62/573365862.db2.gz PSPMSQYAPCMJAX-QMMMGPOBSA-N 0 0 188.679 2.845 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1Cc1ccsc1 83035788 573365906 /nfs/dbraw/zinc/36/59/06/573365906.db2.gz POMWJGLXKODOLK-GDPRMGEGSA-N 0 0 196.315 2.698 10 0 AFAERN CCC[C@](C)(CC)C(=O)OC1CC1 308369385 573365908 /nfs/dbraw/zinc/36/59/08/573365908.db2.gz PPZXDDQYEVTXQO-NSHDSACASA-N 0 0 184.279 2.908 10 0 AFAERN C=Cc1c(O)cccc1Cl 117716124 573365942 /nfs/dbraw/zinc/36/59/42/573365942.db2.gz ITIROJLQLPHMEQ-UHFFFAOYSA-N 0 0 154.596 2.689 10 0 AFAERN Cc1cc([C@@H](C)CO)cc(C)c1C 258015701 573373127 /nfs/dbraw/zinc/37/31/27/573373127.db2.gz NKWKHXJYJGCZPZ-JTQLQIEISA-N 0 0 178.275 2.708 10 0 AFAERN CCc1cc([C@H](C)O)c(C)cc1F 258013964 573373167 /nfs/dbraw/zinc/37/31/67/573373167.db2.gz HOTQVNNNEWZGFK-QMMMGPOBSA-N 0 0 182.238 2.750 10 0 AFAERN Cc1cc2c(cc1F)N[C@H](C)CCN2 107137459 573373196 /nfs/dbraw/zinc/37/31/96/573373196.db2.gz NBKZIIAXUPUPFH-MRVPVSSYSA-N 0 0 194.253 2.750 10 0 AFAERN C1=C[C@@H](OCc2ccccc2)CS1 258014445 573373252 /nfs/dbraw/zinc/37/32/52/573373252.db2.gz NJBQTUVKXPBFRU-LLVKDONJSA-N 0 0 192.283 2.832 10 0 AFAERN Cc1c(F)ccc2ccoc12 117904822 573373258 /nfs/dbraw/zinc/37/32/58/573373258.db2.gz VKXLPVBQPYQZIO-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN CSc1ccc(C2COC2)cc1 238370719 573373343 /nfs/dbraw/zinc/37/33/43/573373343.db2.gz COCNDQPWZYLELK-UHFFFAOYSA-N 0 0 180.272 2.522 10 0 AFAERN CC(C)/C(=C/[C@]1(C)CC1(C)C)CO 642831349 573373378 /nfs/dbraw/zinc/37/33/78/573373378.db2.gz DYVYGHANYDYAER-GCZGVDRJSA-N 0 0 182.307 2.997 10 0 AFAERN Nc1cnsc1-c1ccc(F)cc1 107137293 573373381 /nfs/dbraw/zinc/37/33/81/573373381.db2.gz BHFWCMWRZJXOHB-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CSCCC[C@H](C(C)=O)C(C)C 129616146 573373392 /nfs/dbraw/zinc/37/33/92/573373392.db2.gz IUUKNNDHKMAVKH-JTQLQIEISA-N 0 0 188.336 2.991 10 0 AFAERN CC(C)c1nc(Cl)c2n1CCCC2 258015292 573373471 /nfs/dbraw/zinc/37/34/71/573373471.db2.gz ACGSTAIFYARTQT-UHFFFAOYSA-N 0 0 198.697 2.996 10 0 AFAERN C/C=C\CCNc1cc(F)ccc1N 308376242 573373541 /nfs/dbraw/zinc/37/35/41/573373541.db2.gz MINLTEYGCUXEFH-IHWYPQMZSA-N 0 0 194.253 2.786 10 0 AFAERN CC/C=C\C(=O)OC[C@H](C)C1CC1 308375052 573373547 /nfs/dbraw/zinc/37/35/47/573373547.db2.gz RSYZKRHIPYVEMG-WBSSQXGSSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)=CC[C@@H](C)C(C)(C)O 117884333 573373553 /nfs/dbraw/zinc/37/35/53/573373553.db2.gz DVTJMVRXNHDDLO-SECBINFHSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1cc([C@H](C)CO)cc(C)c1C 258015703 573373555 /nfs/dbraw/zinc/37/35/55/573373555.db2.gz NKWKHXJYJGCZPZ-SNVBAGLBSA-N 0 0 178.275 2.708 10 0 AFAERN Cc1ccc(O)cc1C1CC1 117879826 573374096 /nfs/dbraw/zinc/37/40/96/573374096.db2.gz WCELZZJAPZUYNW-UHFFFAOYSA-N 0 0 148.205 2.578 10 0 AFAERN COc1ccc(C)cc1OC1CCC1 238370711 573374140 /nfs/dbraw/zinc/37/41/40/573374140.db2.gz FNDPQEXIESAHPW-UHFFFAOYSA-N 0 0 192.258 2.935 10 0 AFAERN CCCc1c(C)ccc(C)c1O 117878231 573374199 /nfs/dbraw/zinc/37/41/99/573374199.db2.gz XSYNFFFJQJETBU-UHFFFAOYSA-N 0 0 164.248 2.962 10 0 AFAERN C/C=C\[C@H]1CCCC2=C1CCC(=O)N2 308375951 573374217 /nfs/dbraw/zinc/37/42/17/573374217.db2.gz ZBQDTSIEPRSZTB-MDHMXLOGSA-N 0 0 191.274 2.527 10 0 AFAERN CC[C@@H]1CC[C@H](NC(=O)C(C)C)[C@@H]1C 83050503 573374239 /nfs/dbraw/zinc/37/42/39/573374239.db2.gz MXGYWSGQGQHFGU-MXWKQRLJSA-N 0 0 197.322 2.583 10 0 AFAERN CSCc1cc2ccc(N)cc2o1 258016325 573374240 /nfs/dbraw/zinc/37/42/40/573374240.db2.gz MAMQBCACTVZLHC-UHFFFAOYSA-N 0 0 193.271 2.878 10 0 AFAERN CCON[C@@H](C)c1sccc1C 133063614 573374300 /nfs/dbraw/zinc/37/43/00/573374300.db2.gz SXGDPTCQVQPKCR-QMMMGPOBSA-N 0 0 185.292 2.659 10 0 AFAERN CCC[C@H](O)C1CC(C(C)C)C1 233377397 573374304 /nfs/dbraw/zinc/37/43/04/573374304.db2.gz DNBVSJACFGIDGJ-ILDUYXDCSA-N 0 0 170.296 2.830 10 0 AFAERN CCCCCCc1ncsc1N 50308045 573374318 /nfs/dbraw/zinc/37/43/18/573374318.db2.gz CFBAWUZUAYYPDS-UHFFFAOYSA-N 0 0 184.308 2.848 10 0 AFAERN Cc1ccc([C@@H](C)F)cc1CCO 258014264 573374372 /nfs/dbraw/zinc/37/43/72/573374372.db2.gz HRAPSFXBILXMKW-SECBINFHSA-N 0 0 182.238 2.560 10 0 AFAERN Nc1cnoc1-c1ccccc1Cl 107137902 573374455 /nfs/dbraw/zinc/37/44/55/573374455.db2.gz SLIKZBJXPICERQ-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN COc1ccccc1C1(F)CC1 117875358 573374843 /nfs/dbraw/zinc/37/48/43/573374843.db2.gz OASLTAPFFYVJBE-UHFFFAOYSA-N 0 0 166.195 2.654 10 0 AFAERN CC1(C)CCCNc2ccc(N)cc21 117920076 573374932 /nfs/dbraw/zinc/37/49/32/573374932.db2.gz XZENFTSWQGWGHN-UHFFFAOYSA-N 0 0 190.290 2.752 10 0 AFAERN CCC[C@@H](C)OC(=O)C(F)=C(C)C 308376188 573374974 /nfs/dbraw/zinc/37/49/74/573374974.db2.gz SINNMBKDLURWDA-MRVPVSSYSA-N 0 0 188.242 2.982 10 0 AFAERN CCON[C@H](C)c1sccc1C 133063826 573374993 /nfs/dbraw/zinc/37/49/93/573374993.db2.gz SXGDPTCQVQPKCR-MRVPVSSYSA-N 0 0 185.292 2.659 10 0 AFAERN CC(=O)CC1CCC(C)CC1 86352501 573378625 /nfs/dbraw/zinc/37/86/25/573378625.db2.gz CGTJNPSQUDGKCT-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](C)[C@H](CC1(CC)CCC1)NN 308565829 573378658 /nfs/dbraw/zinc/37/86/58/573378658.db2.gz HQYVYAMCFLOCTM-MNOVXSKESA-N 0 0 198.354 2.835 10 0 AFAERN CC(=O)C[C@H]1CCC[C@H](C)C1 86352504 573378663 /nfs/dbraw/zinc/37/86/63/573378663.db2.gz AISWNCIZOFFQGZ-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)(C)C(=O)C[C@@H]1CCCC[C@H]1O 86352813 573378689 /nfs/dbraw/zinc/37/86/89/573378689.db2.gz MSIOFXYGXPSBQQ-VHSXEESVSA-N 0 0 198.306 2.543 10 0 AFAERN C[C@H]1CCC(=O)[C@H](CC(F)(F)F)C1 86354996 573382870 /nfs/dbraw/zinc/38/28/70/573382870.db2.gz TVNVDSYAIYOCGF-BQBZGAKWSA-N 0 0 194.196 2.944 10 0 AFAERN CCC(=O)CCCC1CC1 86352945 573382916 /nfs/dbraw/zinc/38/29/16/573382916.db2.gz PNQTUFTXHMWXAP-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN CC[C@@H](C)c1ccc(C=O)o1 107157651 573382918 /nfs/dbraw/zinc/38/29/18/573382918.db2.gz ZJNXEXUNRLHHKE-SSDOTTSWSA-N 0 0 152.193 2.606 10 0 AFAERN O=C1CCCCC[C@@H]1CC(F)F 86354702 573382929 /nfs/dbraw/zinc/38/29/29/573382929.db2.gz WCCQXZQISWLNHU-SSDOTTSWSA-N 0 0 176.206 2.791 10 0 AFAERN C[C@H](c1c[nH]cn1)c1ccccc1F 118039815 573382939 /nfs/dbraw/zinc/38/29/39/573382939.db2.gz VDEWVLBVRAHFFC-QMMMGPOBSA-N 0 0 190.221 2.701 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](CC2CC2)C1 86354871 573382940 /nfs/dbraw/zinc/38/29/40/573382940.db2.gz RWQGRDRNAOCOIK-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@](O)(c1cccc(F)c1)C1CC1 83058597 573382941 /nfs/dbraw/zinc/38/29/41/573382941.db2.gz IQBYYTCVGDIGFX-LBPRGKRZSA-N 0 0 194.249 2.833 10 0 AFAERN CC(C)(C)NC(=O)Nc1cccs1 74754175 573385373 /nfs/dbraw/zinc/38/53/73/573385373.db2.gz SFNHNTNSVRHBNN-UHFFFAOYSA-N 0 0 198.291 2.668 10 0 AFAERN Cc1ccccc1[C@H](C)c1c[nH]cn1 118040172 573385458 /nfs/dbraw/zinc/38/54/58/573385458.db2.gz BHMMGZDQUMFUEW-JTQLQIEISA-N 0 0 186.258 2.870 10 0 AFAERN CCC1CCC(C[C@H](C)O)CC1 86358128 573385507 /nfs/dbraw/zinc/38/55/07/573385507.db2.gz DKYHINVWVQWGIX-WHXUTIOJSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@@H](C(C)=O)C(C)C 86356376 573385544 /nfs/dbraw/zinc/38/55/44/573385544.db2.gz LZMXCKHIMPQYCP-WPRPVWTQSA-N 0 0 156.269 2.894 10 0 AFAERN CC1CCC(C[C@H](C)O)CC1 86358176 573385552 /nfs/dbraw/zinc/38/55/52/573385552.db2.gz ZSFOAKJJTRQHAU-KYHHOPLUSA-N 0 0 156.269 2.584 10 0 AFAERN COC(=O)Nc1ccc(C)cc1Cl 118001232 573385600 /nfs/dbraw/zinc/38/56/00/573385600.db2.gz NVMBFVRVBMMATD-UHFFFAOYSA-N 0 0 199.637 2.827 10 0 AFAERN CC(=O)[C@H](CC(F)F)C(C)C 86356485 573385618 /nfs/dbraw/zinc/38/56/18/573385618.db2.gz DLDBKDXCUOMNAJ-SSDOTTSWSA-N 0 0 164.195 2.503 10 0 AFAERN CC[C@H](C)c1ccc(C=O)o1 107157653 573385622 /nfs/dbraw/zinc/38/56/22/573385622.db2.gz ZJNXEXUNRLHHKE-ZETCQYMHSA-N 0 0 152.193 2.606 10 0 AFAERN Cc1ccc([C@@]23CC[C@@H](C2)OC3)cc1 258339699 573385644 /nfs/dbraw/zinc/38/56/44/573385644.db2.gz VJEFWMAARXLHRL-STQMWFEESA-N 0 0 188.270 2.816 10 0 AFAERN CCC(=O)[C@@H](C)CC1CCC1 86356814 573385648 /nfs/dbraw/zinc/38/56/48/573385648.db2.gz QYLMTKNOAUCXCN-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](C)C[C@H](CC1(C)CCC1)NN 308567752 573385652 /nfs/dbraw/zinc/38/56/52/573385652.db2.gz IQJHNOKUPUQBGT-GHMZBOCLSA-N 0 0 198.354 2.835 10 0 AFAERN CC(=O)CC/C=C\c1ccco1 213020125 573385700 /nfs/dbraw/zinc/38/57/00/573385700.db2.gz PGSCBDIRHHORRF-UTCJRWHESA-N 0 0 164.204 2.662 10 0 AFAERN CC(=O)[C@H](CC1CC1)C(C)C 86356358 573385705 /nfs/dbraw/zinc/38/57/05/573385705.db2.gz JTAUZEDBEKCLMM-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)[C@@H](CC(F)F)C(C)C 86356487 573385713 /nfs/dbraw/zinc/38/57/13/573385713.db2.gz DLDBKDXCUOMNAJ-ZETCQYMHSA-N 0 0 164.195 2.503 10 0 AFAERN COc1ccc2ccc(C=O)c-2cc1 238375553 573385726 /nfs/dbraw/zinc/38/57/26/573385726.db2.gz VIZOGSPWJVUUPD-UHFFFAOYSA-N 0 0 186.210 2.613 10 0 AFAERN CC(=O)[C@@H]1C[C@]1(C)C(C)(C)C 118245771 573389287 /nfs/dbraw/zinc/38/92/87/573389287.db2.gz GARHGQXEMHXDEV-WPRPVWTQSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(C)Cc1ccc(F)nc1F 118231179 573389311 /nfs/dbraw/zinc/38/93/11/573389311.db2.gz MPZDSYFKVACNJO-UHFFFAOYSA-N 0 0 185.217 2.948 10 0 AFAERN O[C@H]1CCCNc2cccc(Cl)c21 257804890 573389329 /nfs/dbraw/zinc/38/93/29/573389329.db2.gz UJSLAZQNSCEYLH-VIFPVBQESA-N 0 0 197.665 2.579 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@H](CC2CCC2)C1 86361311 573389346 /nfs/dbraw/zinc/38/93/46/573389346.db2.gz YIIZXYFICVOKOR-USWWRNFRSA-N 0 0 182.307 2.974 10 0 AFAERN CC[C@H](O)[C@@H](C)CC1CCC1 86363593 573389352 /nfs/dbraw/zinc/38/93/52/573389352.db2.gz IMCZXHRNTOEQRC-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](O)[C@H](C)CC1CCC1 86363598 573389373 /nfs/dbraw/zinc/38/93/73/573389373.db2.gz IMCZXHRNTOEQRC-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)[C@H](C(C)C)[C@@H](C)O 86362990 573389380 /nfs/dbraw/zinc/38/93/80/573389380.db2.gz RGSDSPMOYYXPHF-AEJSXWLSSA-N 0 0 158.285 2.686 10 0 AFAERN Cc1cccc(C)c1S[C@@H](C)CO 238377216 573389382 /nfs/dbraw/zinc/38/93/82/573389382.db2.gz ARXITWPZNMUKKS-JTQLQIEISA-N 0 0 196.315 2.776 10 0 AFAERN C/C=C\CCNc1cc(N)ccc1C 308379140 573393597 /nfs/dbraw/zinc/39/35/97/573393597.db2.gz RABXDRLQMAVIDB-ARJAWSKDSA-N 0 0 190.290 2.955 10 0 AFAERN CC[C@H](C)[C@@](O)(CC)C(C)C 86387799 573393622 /nfs/dbraw/zinc/39/36/22/573393622.db2.gz YOYCWCRNFVYCKY-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CSCc1ccc(O)c(C)c1 238378096 573393646 /nfs/dbraw/zinc/39/36/46/573393646.db2.gz CQPDQZZJQVRRHR-UHFFFAOYSA-N 0 0 168.261 2.564 10 0 AFAERN CC[C@H](C)[C@@H]1Cc2cc(O)ccc2O1 197335210 573393691 /nfs/dbraw/zinc/39/36/91/573393691.db2.gz LIQNPUYKOUVYRE-UFBFGSQYSA-N 0 0 192.258 2.742 10 0 AFAERN CCCn1nccc1NCC=C(C)C 308570528 573393697 /nfs/dbraw/zinc/39/36/97/573393697.db2.gz BVVJXCIQQPTBNF-UHFFFAOYSA-N 0 0 193.294 2.671 10 0 AFAERN C[C@@H](CO)[C@@H]1CCCC(C)(C)C1 238378683 573393701 /nfs/dbraw/zinc/39/37/01/573393701.db2.gz FICGLESTTWBZKH-VHSXEESVSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@H]1C[C@@]12CNc1c(F)cc(F)cc12 235580846 573393718 /nfs/dbraw/zinc/39/37/18/573393718.db2.gz IVPCUBIVAHJSAI-UPONEAKYSA-N 0 0 195.212 2.668 10 0 AFAERN C[C@@H](O)CC[C@H]1C=CCCC1 238379744 573393746 /nfs/dbraw/zinc/39/37/46/573393746.db2.gz JBCPGTFTOFHURE-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN COC(C)(C)CCn1cc(C)c(C)c1 308569120 573393806 /nfs/dbraw/zinc/39/38/06/573393806.db2.gz ZZZORQBIVQIPIV-UHFFFAOYSA-N 0 0 195.306 2.920 10 0 AFAERN CSCc1ccc(F)c(O)c1F 238378001 573393840 /nfs/dbraw/zinc/39/38/40/573393840.db2.gz VBLWGSMSISKUCK-UHFFFAOYSA-N 0 0 190.214 2.533 10 0 AFAERN CC[C@@](C)(OC)C(=O)CC1(C)CCC1 308570643 573393860 /nfs/dbraw/zinc/39/38/60/573393860.db2.gz KCIOSKNRXNLMLB-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](C)[C@]1(O)CC[C@@H](CC)C1 86388253 573393867 /nfs/dbraw/zinc/39/38/67/573393867.db2.gz HLLPGIVGMLGLGM-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN c1ccc2c(c1)N[C@@H](C1CCC1)CO2 259094434 573393881 /nfs/dbraw/zinc/39/38/81/573393881.db2.gz JLRNUFUAUPJGNO-LLVKDONJSA-N 0 0 189.258 2.660 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@H]1CC=CCC1 86388126 573393883 /nfs/dbraw/zinc/39/38/83/573393883.db2.gz GEUYACLGQYTVOO-GARJFASQSA-N 0 0 168.280 2.750 10 0 AFAERN CCCC/C=C/[C@H](O)[C@@H]1CCC=CO1 308569290 573393924 /nfs/dbraw/zinc/39/39/24/573393924.db2.gz CZPVWDIQNMMCSZ-LHXDFBSTSA-N 0 0 196.290 2.786 10 0 AFAERN COc1cc(OC2CC2)ccc1Cl 238378438 573393926 /nfs/dbraw/zinc/39/39/26/573393926.db2.gz JUGXLJROLUNHMO-UHFFFAOYSA-N 0 0 198.649 2.890 10 0 AFAERN CC[C@H](C)[C@](O)(CC)C1CC1 86388314 573393930 /nfs/dbraw/zinc/39/39/30/573393930.db2.gz FYHPHEQOTDNPQX-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1C[C@@H](C)c2ccc(O)cc2O1 197335335 573393946 /nfs/dbraw/zinc/39/39/46/573393946.db2.gz LSPUSNTZUFYHQW-SFYZADRCSA-N 0 0 178.231 2.667 10 0 AFAERN C[C@@H](O)/C=C/C1=CCCCCC1 238379323 573394006 /nfs/dbraw/zinc/39/40/06/573394006.db2.gz MXYYTFMWZOYSKJ-AAXQSMANSA-N 0 0 166.264 2.814 10 0 AFAERN CC[C@H](C)[C@@H](O)CC(C)(C)C 86388147 573394089 /nfs/dbraw/zinc/39/40/89/573394089.db2.gz JHHGGYCQTXZCTL-IUCAKERBSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)[C@@]1(O)CC[C@H](C)C1 86388248 573394107 /nfs/dbraw/zinc/39/41/07/573394107.db2.gz ABIBTYNTFQDXQM-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)[C@]1(O)CCc2ccccc21 86387726 573395161 /nfs/dbraw/zinc/39/51/61/573395161.db2.gz UBZBRVAHPINZIX-GXFFZTMASA-N 0 0 190.286 2.867 10 0 AFAERN CC[C@H](C)[C@H](O)c1ccc(C)o1 86387904 573395166 /nfs/dbraw/zinc/39/51/66/573395166.db2.gz PZOKQFWCEZVLPK-XVKPBYJWSA-N 0 0 168.236 2.668 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ccc(C)o1 86387907 573395192 /nfs/dbraw/zinc/39/51/92/573395192.db2.gz PZOKQFWCEZVLPK-OIBJUYFYSA-N 0 0 168.236 2.668 10 0 AFAERN CCO[C@@H](C[C@H](C)O)c1ccccc1 308570222 573395211 /nfs/dbraw/zinc/39/52/11/573395211.db2.gz DMKFUSOXUNRJHT-JQWIXIFHSA-N 0 0 194.274 2.535 10 0 AFAERN CC[C@H](C)[C@]1(O)CCCC[C@@H]1C 86387690 573395337 /nfs/dbraw/zinc/39/53/37/573395337.db2.gz VXFFJBXRZGBRBA-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCc2ccccc21 86387732 573395354 /nfs/dbraw/zinc/39/53/54/573395354.db2.gz UBZBRVAHPINZIX-GWCFXTLKSA-N 0 0 190.286 2.867 10 0 AFAERN CC(=O)C[C@@H](C)C(=O)[C@H](C)C(C)(C)C 308570174 573395363 /nfs/dbraw/zinc/39/53/63/573395363.db2.gz DLMMKJBTFBZOJD-SCZZXKLOSA-N 0 0 198.306 2.853 10 0 AFAERN CCC(C)(C)[C@H](CC1(C)CCC1)NN 308570570 573395444 /nfs/dbraw/zinc/39/54/44/573395444.db2.gz JZHNPDWHJPLOCR-JTQLQIEISA-N 0 0 198.354 2.835 10 0 AFAERN CC[C@@H](C)[C@@](O)(CC)C1CC1 86388309 573395564 /nfs/dbraw/zinc/39/55/64/573395564.db2.gz FYHPHEQOTDNPQX-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC(=O)C[C@H](C)C(=O)[C@H](C)C(C)(C)C 308570180 573395589 /nfs/dbraw/zinc/39/55/89/573395589.db2.gz DLMMKJBTFBZOJD-WPRPVWTQSA-N 0 0 198.306 2.853 10 0 AFAERN CCCC/C=C\[C@H](O)[C@H]1CCC=CO1 308569284 573395611 /nfs/dbraw/zinc/39/56/11/573395611.db2.gz CZPVWDIQNMMCSZ-HJLXKUKWSA-N 0 0 196.290 2.786 10 0 AFAERN CC[C@@H](C)[C@](O)(CC)C(C)C 86387800 573395627 /nfs/dbraw/zinc/39/56/27/573395627.db2.gz YOYCWCRNFVYCKY-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)[C@@]1(O)CC[C@@H](CC)C1 86388249 573395634 /nfs/dbraw/zinc/39/56/34/573395634.db2.gz HLLPGIVGMLGLGM-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN C=C=C1CCC[C@]12CCC(=O)[C@H]2C 238390127 573395678 /nfs/dbraw/zinc/39/56/78/573395678.db2.gz PNDKIPWNBJUVSL-BXKDBHETSA-N 0 0 176.259 2.867 10 0 AFAERN Clc1nncc(C2CCCCC2)n1 257810323 573395682 /nfs/dbraw/zinc/39/56/82/573395682.db2.gz AGTDTFGXFOPZOK-UHFFFAOYSA-N 0 0 197.669 2.573 10 0 AFAERN OC[C@H]1C=CO/C1=C/C1CCCCC1 224087541 573395827 /nfs/dbraw/zinc/39/58/27/573395827.db2.gz UGYZRCUFKUVOAC-OYGDSYQHSA-N 0 0 194.274 2.603 10 0 AFAERN CC[C@@H](C)[C@@](O)(CC)C(C)C 86387797 573395989 /nfs/dbraw/zinc/39/59/89/573395989.db2.gz YOYCWCRNFVYCKY-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CSc1cccc2c1CCCN2 238386395 573396002 /nfs/dbraw/zinc/39/60/02/573396002.db2.gz DBGMCWPRYOOVJN-UHFFFAOYSA-N 0 0 179.288 2.767 10 0 AFAERN O[C@@H]1CCC[C@H]1/C=C\c1ccccc1 308569324 573396010 /nfs/dbraw/zinc/39/60/10/573396010.db2.gz DANWABJNNYYHEU-GWJJPBGRSA-N 0 0 188.270 2.861 10 0 AFAERN CCO[C@H](C[C@@H](C)O)c1ccccc1 308570226 573396063 /nfs/dbraw/zinc/39/60/63/573396063.db2.gz DMKFUSOXUNRJHT-ZYHUDNBSSA-N 0 0 194.274 2.535 10 0 AFAERN CCC(CC)CNOC(C)(C)C 133414969 573396085 /nfs/dbraw/zinc/39/60/85/573396085.db2.gz OANRZRGWSWXVLE-UHFFFAOYSA-N 0 0 173.300 2.742 10 0 AFAERN CC[C@H](C)[C@]1(O)CCC[C@H](C)C1 86387660 573396202 /nfs/dbraw/zinc/39/62/02/573396202.db2.gz LRHMSPXRDWFYHY-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCC[C@@H]1C 86388338 573396206 /nfs/dbraw/zinc/39/62/06/573396206.db2.gz UDARBIRQHGEPNY-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@@H](C)NOC(C)(C)C 133417292 573396220 /nfs/dbraw/zinc/39/62/20/573396220.db2.gz ILRPHIKZDVOJNN-SECBINFHSA-N 0 0 173.300 2.741 10 0 AFAERN Cc1c(F)ccc([C@@H](C)O)c1Cl 238387809 573401174 /nfs/dbraw/zinc/40/11/74/573401174.db2.gz MXXJNWVXRSWSSR-ZCFIWIBFSA-N 0 0 188.629 2.841 10 0 AFAERN CCCCCNOCc1ccccc1 83116153 573401190 /nfs/dbraw/zinc/40/11/90/573401190.db2.gz DQDKBARNLQAJCV-UHFFFAOYSA-N 0 0 193.290 2.898 10 0 AFAERN CC[C@H](C)n1nc(N)c2ccccc21 86393044 573401259 /nfs/dbraw/zinc/40/12/59/573401259.db2.gz RAOOXXOUFYXZSQ-QMMMGPOBSA-N 0 0 189.262 2.590 10 0 AFAERN CC[C@@H](C)C(=O)CC(F)(F)F 86388873 573401372 /nfs/dbraw/zinc/40/13/72/573401372.db2.gz WYXJASSOFCHSMQ-RXMQYKEDSA-N 0 0 168.158 2.554 10 0 AFAERN CC[C@H](C)C(=O)c1ncccc1C 86388893 573401389 /nfs/dbraw/zinc/40/13/89/573401389.db2.gz GYOAGOKVFGKDRZ-QMMMGPOBSA-N 0 0 177.247 2.619 10 0 AFAERN C[C@@]12CC=CC[C@@]1(C)C(=O)CC2 211733953 573401410 /nfs/dbraw/zinc/40/14/10/573401410.db2.gz XHTAGTIKVGJBCM-QWRGUYRKSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@H](C)C1=C[C@@H](O)CCC1 86394281 573401448 /nfs/dbraw/zinc/40/14/48/573401448.db2.gz WVRLFFQNCNCURL-WPRPVWTQSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cn(C[C@H](C)C2CCC2)c(C)n1 715145771 573401456 /nfs/dbraw/zinc/40/14/56/573401456.db2.gz HPXOSGBKCMRGAU-VIFPVBQESA-N 0 0 192.306 2.936 10 0 AFAERN Cc1cccc2[nH]c([C@@H](C)O)cc12 258341997 573402875 /nfs/dbraw/zinc/40/28/75/573402875.db2.gz XVLNRBDOHDNEGT-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN CC(C)CCC(=O)c1ncccc1F 133447240 573402910 /nfs/dbraw/zinc/40/29/10/573402910.db2.gz DQQZSBDDKGVIMF-UHFFFAOYSA-N 0 0 195.237 2.840 10 0 AFAERN C[C@@]12CCCCC[C@@H]1CC2=O 224097474 573402982 /nfs/dbraw/zinc/40/29/82/573402982.db2.gz ILXKCGMINRLPDA-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN c1ccc2c(c1)NC[C@@H]2CC1CC1 118453504 573403046 /nfs/dbraw/zinc/40/30/46/573403046.db2.gz MMACBKWIWSYVKS-JTQLQIEISA-N 0 0 173.259 2.996 10 0 AFAERN CCCn1nccc1NC[C@@H](C)CC 308576781 573403562 /nfs/dbraw/zinc/40/35/62/573403562.db2.gz DUTLZBPOFXAZQG-JTQLQIEISA-N 0 0 195.310 2.751 10 0 AFAERN CC(C)c1sc(C=O)nc1C1CC1 257810411 573404065 /nfs/dbraw/zinc/40/40/65/573404065.db2.gz AKCBKFKVRHYTMO-UHFFFAOYSA-N 0 0 195.287 2.956 10 0 AFAERN C[C@H](F)C[C@H](O)CCc1ccccc1 308575275 573404089 /nfs/dbraw/zinc/40/40/89/573404089.db2.gz HBLPEKFDIDDFJE-CMPLNLGQSA-N 0 0 196.265 2.728 10 0 AFAERN CC[C@@H](C)CNOCc1ccccc1 83099605 573404131 /nfs/dbraw/zinc/40/41/31/573404131.db2.gz VLPFBEJYQDDEJA-LLVKDONJSA-N 0 0 193.290 2.754 10 0 AFAERN CCC[C@@](C)(CO)CC(C)(C)OC 393631379 573404170 /nfs/dbraw/zinc/40/41/70/573404170.db2.gz JIAUITJWHWFHKA-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCC(=O)c1cc(F)ncc1F 308574907 573404214 /nfs/dbraw/zinc/40/42/14/573404214.db2.gz GVFZGNZNOSLBPW-UHFFFAOYSA-N 0 0 199.200 2.733 10 0 AFAERN CC1(C)CNc2ccc(F)c(F)c21 118456645 573404222 /nfs/dbraw/zinc/40/42/22/573404222.db2.gz DPVOEJOGLGGGFA-UHFFFAOYSA-N 0 0 183.201 2.668 10 0 AFAERN CC[C@@H](C)NOCc1ccccc1 83099591 573404421 /nfs/dbraw/zinc/40/44/21/573404421.db2.gz SKFKWPIYZVPHEZ-SNVBAGLBSA-N 0 0 179.263 2.506 10 0 AFAERN Cc1c(O)ccc2cc(F)ccc12 258341669 573404483 /nfs/dbraw/zinc/40/44/83/573404483.db2.gz VMRYUAXKFLUGQM-UHFFFAOYSA-N 0 0 176.190 2.993 10 0 AFAERN CC(C)(C)n1cnc2c(F)cccc21 107179119 573404500 /nfs/dbraw/zinc/40/45/00/573404500.db2.gz CBZCJQNZEJEAIL-UHFFFAOYSA-N 0 0 192.237 2.930 10 0 AFAERN CCCCc1cc(OC)c(N)cc1F 308575326 573404935 /nfs/dbraw/zinc/40/49/35/573404935.db2.gz HFGUSVKZFRFCRT-UHFFFAOYSA-N 0 0 197.253 2.759 10 0 AFAERN C[C@@H]1C(=O)CC=C1C(C)(C)C 238389223 573404945 /nfs/dbraw/zinc/40/49/45/573404945.db2.gz ZISWEMSPAHGMPL-ZETCQYMHSA-N 0 0 152.237 2.568 10 0 AFAERN COc1cc2c(cc1N)C(C)=C(C)C2 238389991 573405080 /nfs/dbraw/zinc/40/50/80/573405080.db2.gz BUYISVSXZUEDJF-UHFFFAOYSA-N 0 0 189.258 2.627 10 0 AFAERN C[C@@H](O)c1cccc(NC(C)(C)C)c1 238389362 573405096 /nfs/dbraw/zinc/40/50/96/573405096.db2.gz QJAZARPBPMEIBG-SECBINFHSA-N 0 0 193.290 2.950 10 0 AFAERN COc1cccc2c(C)c(F)cnc12 257810525 573405178 /nfs/dbraw/zinc/40/51/78/573405178.db2.gz AKGFCCYKKJIBQI-UHFFFAOYSA-N 0 0 191.205 2.691 10 0 AFAERN C[C@H]1CC(C)(C)C[C@H]1Nn1cccc1 235594912 573405195 /nfs/dbraw/zinc/40/51/95/573405195.db2.gz JBOMLIKNIULGSX-WDEREUQCSA-N 0 0 192.306 2.856 10 0 AFAERN C[C@@H](F)C[C@H](O)CCc1ccccc1 308575278 573405206 /nfs/dbraw/zinc/40/52/06/573405206.db2.gz HBLPEKFDIDDFJE-ZYHUDNBSSA-N 0 0 196.265 2.728 10 0 AFAERN OCCCc1cccc(C(F)F)c1 220180947 573405524 /nfs/dbraw/zinc/40/55/24/573405524.db2.gz RXMBQOYHRNBBQF-UHFFFAOYSA-N 0 0 186.201 2.549 10 0 AFAERN C[C@@H]1C(=O)CC=Cc2ccccc21 238389265 573405608 /nfs/dbraw/zinc/40/56/08/573405608.db2.gz KULRKZMJZMVEJO-VIFPVBQESA-N 0 0 172.227 2.776 10 0 AFAERN CCC[C@H](C)CNc1cc(C)n(C)n1 133503287 573405613 /nfs/dbraw/zinc/40/56/13/573405613.db2.gz WHARIBMOMRCYEJ-VIFPVBQESA-N 0 0 195.310 2.577 10 0 AFAERN CC(=O)[C@@H](C)Nc1cc(C)cc(C)c1 238389573 573405616 /nfs/dbraw/zinc/40/56/16/573405616.db2.gz IKJDZTGLWJJYRK-SNVBAGLBSA-N 0 0 191.274 2.693 10 0 AFAERN CCC[C@@H](O)[C@H](OCC)C(C)(C)C 133498482 573405770 /nfs/dbraw/zinc/40/57/70/573405770.db2.gz YMWQDCZYWPSTNT-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN c1ccc2[nH]c(-c3ncco3)cc2c1 118483402 573405780 /nfs/dbraw/zinc/40/57/80/573405780.db2.gz AMMUUKRRJMWLGJ-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN CC/C=C/C(=O)OCCC(C)(C)C 308382643 573405956 /nfs/dbraw/zinc/40/59/56/573405956.db2.gz VEOWXOBNLJVGSC-VOTSOKGWSA-N 0 0 184.279 2.932 10 0 AFAERN COC(=O)c1cc(C)c2ccoc2c1 238380580 573405976 /nfs/dbraw/zinc/40/59/76/573405976.db2.gz FJINIKGLDKWAEM-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN CCCC/C=C/CNc1cnn(C)c1 308574272 573406064 /nfs/dbraw/zinc/40/60/64/573406064.db2.gz CXWZMAZAUVKABH-VOTSOKGWSA-N 0 0 193.294 2.578 10 0 AFAERN C[C@@H]1C(=O)CCC2=C1CCCC2 238389484 573406105 /nfs/dbraw/zinc/40/61/05/573406105.db2.gz FMBSTRIYJDODOA-QMMMGPOBSA-N 0 0 164.248 2.856 10 0 AFAERN CCCCOc1cc(F)c(C)cc1N 308576070 573406176 /nfs/dbraw/zinc/40/61/76/573406176.db2.gz HKJSGLCLXABCKJ-UHFFFAOYSA-N 0 0 197.253 2.895 10 0 AFAERN Cc1ccc(C2(C)COC2)c(C)c1C 259101807 573407803 /nfs/dbraw/zinc/40/78/03/573407803.db2.gz OCMRZAONUPALCB-UHFFFAOYSA-N 0 0 190.286 2.900 10 0 AFAERN C[C@H](F)C[C@@H](O)CCc1ccccc1 308575276 573407865 /nfs/dbraw/zinc/40/78/65/573407865.db2.gz HBLPEKFDIDDFJE-JQWIXIFHSA-N 0 0 196.265 2.728 10 0 AFAERN Cc1cccc2c1CCC1(CC1)C2=O 214890508 573407925 /nfs/dbraw/zinc/40/79/25/573407925.db2.gz DRYBIBSEWDZIMS-UHFFFAOYSA-N 0 0 186.254 2.904 10 0 AFAERN C[C@@H](CO)[C@H]1CCCC(C)(C)C1 238380946 573407937 /nfs/dbraw/zinc/40/79/37/573407937.db2.gz FICGLESTTWBZKH-UWVGGRQHSA-N 0 0 170.296 2.831 10 0 AFAERN Cc1ccc2c(c1)CCC1(CC1)C2=O 214890576 573407951 /nfs/dbraw/zinc/40/79/51/573407951.db2.gz JVXQYNMDARNQCF-UHFFFAOYSA-N 0 0 186.254 2.904 10 0 AFAERN CCCCC(=O)CC1(COC)CCC1 308577756 573410077 /nfs/dbraw/zinc/41/00/77/573410077.db2.gz NNNAYBAPTSIGJI-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CSc1cccc(C2COC2)c1 238382657 573410087 /nfs/dbraw/zinc/41/00/87/573410087.db2.gz LSLXTVKKUJBDFB-UHFFFAOYSA-N 0 0 180.272 2.522 10 0 AFAERN CC(C)C[C@H](O)[C@H]1Cc2ccccc21 83121036 573411968 /nfs/dbraw/zinc/41/19/68/573411968.db2.gz RQJZKHXWHGERJF-STQMWFEESA-N 0 0 190.286 2.733 10 0 AFAERN Cc1ccc(F)cc1[C@H](O)C1CCC1 83120878 573412036 /nfs/dbraw/zinc/41/20/36/573412036.db2.gz GDRMPFVSDSRLAU-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN Cc1cc(C2CCCCC2)n(C)n1 259101625 573412041 /nfs/dbraw/zinc/41/20/41/573412041.db2.gz QEEIVBJSROTBGK-UHFFFAOYSA-N 0 0 178.279 2.776 10 0 AFAERN COc1ccc(CC(C)(C)F)cc1 238381263 573412044 /nfs/dbraw/zinc/41/20/44/573412044.db2.gz ANBKNNOWMANHQD-UHFFFAOYSA-N 0 0 182.238 2.986 10 0 AFAERN CC[C@@H](C)CC(=O)C1CCC1 83120307 573412057 /nfs/dbraw/zinc/41/20/57/573412057.db2.gz KGXUSYJJDWNYGM-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)(C)c1n[nH]c2cc(O)ccc12 257811087 573412085 /nfs/dbraw/zinc/41/20/85/573412085.db2.gz AXYBVBSMJHLVNU-UHFFFAOYSA-N 0 0 190.246 2.566 10 0 AFAERN C/C=C/C(=O)N[C@H]1CCC[C@@H](CC)C1 83119398 573412086 /nfs/dbraw/zinc/41/20/86/573412086.db2.gz ALUJQTKDPBQSDD-MFFLNWJUSA-N 0 0 195.306 2.648 10 0 AFAERN O[C@@H](CCc1cccs1)C1CCC1 83120726 573412100 /nfs/dbraw/zinc/41/21/00/573412100.db2.gz SUJNVNLAJUSLBA-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN C=CC(=O)OC[C@@H](C)CCCC 33506709 573412217 /nfs/dbraw/zinc/41/22/17/573412217.db2.gz LWZNQGJGMBRAII-VIFPVBQESA-N 0 0 170.252 2.542 10 0 AFAERN CC1=C[C@@H]2C/C(=C/CO)C[C@@H]2C1(C)C 308577636 573412224 /nfs/dbraw/zinc/41/22/24/573412224.db2.gz IGGOGXXKTMQICW-JUTKWBCOSA-N 0 0 192.302 2.917 10 0 AFAERN C/C=C/C(=O)N[C@H]1CCC[C@H](CC)C1 83119399 573412292 /nfs/dbraw/zinc/41/22/92/573412292.db2.gz ALUJQTKDPBQSDD-LUSJXZINSA-N 0 0 195.306 2.648 10 0 AFAERN CCCc1nc(C(C)=O)sc1C 259101458 573412325 /nfs/dbraw/zinc/41/23/25/573412325.db2.gz FHPCXGYYZRHBQS-UHFFFAOYSA-N 0 0 183.276 2.607 10 0 AFAERN CC1CCC([C@H](O)C2CCC2)CC1 83120593 573412331 /nfs/dbraw/zinc/41/23/31/573412331.db2.gz XHXVZOWSFRZCGC-QEWOUOOISA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccc(F)cc1[C@@H](O)C1CCC1 83120880 573412338 /nfs/dbraw/zinc/41/23/38/573412338.db2.gz GDRMPFVSDSRLAU-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN CCC1(CC(=O)[C@H]2CCCO2)CCC1 308578809 573412358 /nfs/dbraw/zinc/41/23/58/573412358.db2.gz OAPQQZQFJCQDNA-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)(C)[C@H](O)[C@H]1Cc2ccccc21 83121230 573414643 /nfs/dbraw/zinc/41/46/43/573414643.db2.gz PVRIFYDICGGHAY-NWDGAFQWSA-N 0 0 190.286 2.733 10 0 AFAERN Oc1ccc2c(C3CCC3)n[nH]c2c1 118597915 573414682 /nfs/dbraw/zinc/41/46/82/573414682.db2.gz DGRDDJBCUDNEHI-UHFFFAOYSA-N 0 0 188.230 2.536 10 0 AFAERN CC(C)(C)C(=O)[C@@H]1Cc2ccccc21 83120345 573414755 /nfs/dbraw/zinc/41/47/55/573414755.db2.gz SNTCXMXKAYHCJN-LLVKDONJSA-N 0 0 188.270 2.942 10 0 AFAERN O[C@@H](CC1CCCC1)C1CCC1 83120507 573414767 /nfs/dbraw/zinc/41/47/67/573414767.db2.gz FESBCDACNYJGSS-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)CC(=O)[C@H]1Cc2ccccc21 83120368 573414778 /nfs/dbraw/zinc/41/47/78/573414778.db2.gz HKUNGGBOCGXLAD-LBPRGKRZSA-N 0 0 188.270 2.942 10 0 AFAERN C[C@H](/C=C\CO)/C=C/c1ccccc1 308580457 573414779 /nfs/dbraw/zinc/41/47/79/573414779.db2.gz JLNCPPOCEJXLTF-TWBSLJDTSA-N 0 0 188.270 2.884 10 0 AFAERN COc1ccccc1[C@H](O)C1CCC1 83120474 573414796 /nfs/dbraw/zinc/41/47/96/573414796.db2.gz RGRATGZEMLZRGR-GFCCVEGCSA-N 0 0 192.258 2.529 10 0 AFAERN C[C@@H](/C=C\CCc1ccccc1)CO 308579056 573414839 /nfs/dbraw/zinc/41/48/39/573414839.db2.gz IVHJYQRGFJNSQK-HWPRWLFBSA-N 0 0 190.286 2.804 10 0 AFAERN CCCCC[C@@H](O)c1ccncc1F 133542481 573414861 /nfs/dbraw/zinc/41/48/61/573414861.db2.gz CWVIRONSHBEGKR-LLVKDONJSA-N 0 0 197.253 2.834 10 0 AFAERN CC(C)(C)[C@@H](O)[C@@H]1Cc2ccccc21 83121229 573414926 /nfs/dbraw/zinc/41/49/26/573414926.db2.gz PVRIFYDICGGHAY-NEPJUHHUSA-N 0 0 190.286 2.733 10 0 AFAERN CCCCC(=O)OC[C@@H](C)C1CC1 308386905 573414946 /nfs/dbraw/zinc/41/49/46/573414946.db2.gz XLLMWMHPBTYFHE-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN Cc1cc(N[C@@H]2C[C@@H]2C)c(N)cc1F 235592931 573414975 /nfs/dbraw/zinc/41/49/75/573414975.db2.gz ZPWOMSITMIEEMH-OIBJUYFYSA-N 0 0 194.253 2.537 10 0 AFAERN Nc1[nH]ccc1-c1ccc(Cl)cc1 258019143 573414985 /nfs/dbraw/zinc/41/49/85/573414985.db2.gz BSJOPOLLIUCWSL-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN CCCCC(=O)OC[C@H](C)C1CC1 308386907 573416195 /nfs/dbraw/zinc/41/61/95/573416195.db2.gz XLLMWMHPBTYFHE-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN C[C@@H](O)c1ccc2[nH]ccc2c1Cl 258019076 573416239 /nfs/dbraw/zinc/41/62/39/573416239.db2.gz HZIQGFUQWPDHFB-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN CCC1(C(=O)OCC(C)(C)C)CC1 308388203 573416261 /nfs/dbraw/zinc/41/62/61/573416261.db2.gz YIOQITJQAIKTQZ-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C[C@H](/C=C\CCc1ccccc1)CO 308579058 573416268 /nfs/dbraw/zinc/41/62/68/573416268.db2.gz IVHJYQRGFJNSQK-SMYYYNMVSA-N 0 0 190.286 2.804 10 0 AFAERN CC(C)(O)[C@@H]1CSc2ccccc21 258337072 573416297 /nfs/dbraw/zinc/41/62/97/573416297.db2.gz XMKLVGIYSWXHJE-SECBINFHSA-N 0 0 194.299 2.647 10 0 AFAERN Cc1nc(C2CCC2)sc1[C@H](C)O 83123573 573416345 /nfs/dbraw/zinc/41/63/45/573416345.db2.gz CLGUTERWTDSLGW-ZETCQYMHSA-N 0 0 197.303 2.772 10 0 AFAERN CC(C)CC(=O)[C@@H]1Cc2ccccc21 83120366 573414626 /nfs/dbraw/zinc/41/46/26/573414626.db2.gz HKUNGGBOCGXLAD-GFCCVEGCSA-N 0 0 188.270 2.942 10 0 AFAERN CCCCCC[C@H](NN)C1(C)CC1 129892778 573418749 /nfs/dbraw/zinc/41/87/49/573418749.db2.gz XRCKRHNEPQTMII-JTQLQIEISA-N 0 0 184.327 2.589 10 0 AFAERN Nc1ccccc1NC/C=C\C1CC1 393633063 573418789 /nfs/dbraw/zinc/41/87/89/573418789.db2.gz GVWUJMSNDHFGJZ-ARJAWSKDSA-N 0 0 188.274 2.647 10 0 AFAERN C[C@H](O)c1ccc2[nH]ccc2c1Cl 258019073 573418837 /nfs/dbraw/zinc/41/88/37/573418837.db2.gz HZIQGFUQWPDHFB-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN CC(C)Oc1cccc(N)c1Cl 118747272 573418871 /nfs/dbraw/zinc/41/88/71/573418871.db2.gz MILHHBLTLRTRSH-UHFFFAOYSA-N 0 0 185.654 2.709 10 0 AFAERN CC(C)=C[C@@H](C)OC(=O)C(C)C 238199439 573418997 /nfs/dbraw/zinc/41/89/97/573418997.db2.gz OQDVQKGDJZLSDS-SECBINFHSA-N 0 0 170.252 2.540 10 0 AFAERN COc1cccc(OC(C)(C)C)c1O 238383070 573419044 /nfs/dbraw/zinc/41/90/44/573419044.db2.gz LWGIKDAIRGQHEA-UHFFFAOYSA-N 0 0 196.246 2.578 10 0 AFAERN COc1ccc(N)c([C@@H]2CC2(C)C)c1 238384018 573419067 /nfs/dbraw/zinc/41/90/67/573419067.db2.gz BLOLYEYJRRAWOB-JTQLQIEISA-N 0 0 191.274 2.791 10 0 AFAERN C[C@@H](O)c1cccc2c1SCCC2 258019111 573419072 /nfs/dbraw/zinc/41/90/72/573419072.db2.gz HZWUUHBMLMRNSJ-MRVPVSSYSA-N 0 0 194.299 2.778 10 0 AFAERN C[C@@H](O)c1ccc2c(c1)[C@H](C)C=C2 238399323 573420303 /nfs/dbraw/zinc/42/03/03/573420303.db2.gz VHUBGIUTBNOXQO-RKDXNWHRSA-N 0 0 174.243 2.870 10 0 AFAERN CC[C@@H](C)C[C@H]1CCC[C@@H]1O 50428097 573423112 /nfs/dbraw/zinc/42/31/12/573423112.db2.gz QJXIKCPFRSCCEF-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H](O)CC[C@@H](C)c1ccccc1 78071153 573423144 /nfs/dbraw/zinc/42/31/44/573423144.db2.gz MBKWTNPIVDKMOV-GHMZBOCLSA-N 0 0 178.275 2.951 10 0 AFAERN C[C@H](O)Cc1ccc(CCCF)cc1 258019170 573423250 /nfs/dbraw/zinc/42/32/50/573423250.db2.gz IBOUWAXVGMJQCM-JTQLQIEISA-N 0 0 196.265 2.512 10 0 AFAERN C[C@@H](CC[C@@H](C)O)c1ccccc1 78071152 573423468 /nfs/dbraw/zinc/42/34/68/573423468.db2.gz MBKWTNPIVDKMOV-WDEREUQCSA-N 0 0 178.275 2.951 10 0 AFAERN CCC[C@H](CO)C1CCCCC1 129998924 573423485 /nfs/dbraw/zinc/42/34/85/573423485.db2.gz HEENDJGXFYDIRV-LLVKDONJSA-N 0 0 170.296 2.975 10 0 AFAERN CCc1ccc([C@H](O)C(F)F)cc1 83137949 573423504 /nfs/dbraw/zinc/42/35/04/573423504.db2.gz NGSISPQXPVUGNM-VIFPVBQESA-N 0 0 186.201 2.548 10 0 AFAERN O[C@H](c1ccccc1Cl)C(F)F 83141940 573423612 /nfs/dbraw/zinc/42/36/12/573423612.db2.gz RGCZOKZDRSJHFL-SSDOTTSWSA-N 0 0 192.592 2.639 10 0 AFAERN C[C@@H](F)c1ccc(O)c([C@@H](C)CO)c1 258028577 573429753 /nfs/dbraw/zinc/42/97/53/573429753.db2.gz FALOEDUNRMPOAQ-JGVFFNPUSA-N 0 0 198.237 2.519 10 0 AFAERN Cc1cc(O)c(C(C)C)cc1F 144137014 573429767 /nfs/dbraw/zinc/42/97/67/573429767.db2.gz VVMZFZULGHHFFR-UHFFFAOYSA-N 0 0 168.211 2.963 10 0 AFAERN CC[NH2+][C@@H](CC)c1ncccc1CC 126208919 573436199 /nfs/dbraw/zinc/43/61/99/573436199.db2.gz OFUMLXRFPJLQMQ-NSHDSACASA-N 0 0 192.306 2.705 10 0 AFAERN CCCC1([C@@H](N)C(F)(F)F)CCC1 686125482 573436331 /nfs/dbraw/zinc/43/63/31/573436331.db2.gz AMJAZVRUBNEEGS-SSDOTTSWSA-N 0 0 195.228 2.846 10 0 AFAERN CC(=O)C[C@H](C)[C@H]1CC=CCC1 238395492 573436502 /nfs/dbraw/zinc/43/65/02/573436502.db2.gz DFSNRLOCCCHWFJ-ONGXEEELSA-N 0 0 166.264 2.958 10 0 AFAERN Oc1c(F)ccc2c(Cl)nccc12 258021124 573436508 /nfs/dbraw/zinc/43/65/08/573436508.db2.gz HZEWEAKMUPDJSV-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN CCc1cc2cc(Cl)cnc2n1C 257812882 573436567 /nfs/dbraw/zinc/43/65/67/573436567.db2.gz BXIJKXHBFBTSOZ-UHFFFAOYSA-N 0 0 194.665 2.789 10 0 AFAERN CS[C@H]1CCCC(C)=C1CCO 238395195 573436584 /nfs/dbraw/zinc/43/65/84/573436584.db2.gz MVEJADFPOIXPQB-JTQLQIEISA-N 0 0 186.320 2.601 10 0 AFAERN C[C@@H]1CCCC[C@]1(C)CCO 238396229 573436928 /nfs/dbraw/zinc/43/69/28/573436928.db2.gz YEQCWIIMYXLNCS-NXEZZACHSA-N 0 0 156.269 2.585 10 0 AFAERN CCCCC[C@H](C(C)=O)[C@H](O)CC 238218445 573436950 /nfs/dbraw/zinc/43/69/50/573436950.db2.gz WJQXHQOTMFRFNU-GHMZBOCLSA-N 0 0 186.295 2.543 10 0 AFAERN CO[C@@H](C)C(C)(C)c1ccc(O)cc1 258021052 573436952 /nfs/dbraw/zinc/43/69/52/573436952.db2.gz HYPSZPBXZSDQGD-VIFPVBQESA-N 0 0 194.274 2.705 10 0 AFAERN CC(=O)C[C@@]1(C)[C@H](C)C1(C)C 238395189 573436956 /nfs/dbraw/zinc/43/69/56/573436956.db2.gz FSQFOQBTWPXAAT-SCZZXKLOSA-N 0 0 154.253 2.648 10 0 AFAERN CCC[C@@H](NN1CCCCC1)C1CC1 308581870 573437008 /nfs/dbraw/zinc/43/70/08/573437008.db2.gz KEODRWUJTCRTAE-GFCCVEGCSA-N 0 0 196.338 2.556 10 0 AFAERN COCc1c(C)c(C)c(N)c(C)c1C 238395525 573437056 /nfs/dbraw/zinc/43/70/56/573437056.db2.gz ZMQJXOHFDBHGQA-UHFFFAOYSA-N 0 0 193.290 2.649 10 0 AFAERN Br/C=C1\CC=CS1 137844004 573437071 /nfs/dbraw/zinc/43/70/71/573437071.db2.gz YDSQIQAIKZQDQT-SNAWJCMRSA-N 0 0 177.066 2.873 10 0 AFAERN Fc1ccc2c(c1)NCCC21CC1 257812746 573437104 /nfs/dbraw/zinc/43/71/04/573437104.db2.gz BUOGWNOSKDTBDJ-UHFFFAOYSA-N 0 0 177.222 2.673 10 0 AFAERN CCc1nc(N)oc1-c1cccs1 258655503 573437186 /nfs/dbraw/zinc/43/71/86/573437186.db2.gz UAFAODBJANACSX-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN O=Cc1ccc2c(C3CC3)onc2c1 257813426 573440526 /nfs/dbraw/zinc/44/05/26/573440526.db2.gz CAOFLZCEKNRFQR-UHFFFAOYSA-N 0 0 187.198 2.518 10 0 AFAERN C[C@@H](O)C[C@@H]1CCCCCCCC1=O 238396417 573440594 /nfs/dbraw/zinc/44/05/94/573440594.db2.gz UPZRJICRHJLAEK-MNOVXSKESA-N 0 0 198.306 2.687 10 0 AFAERN CCC[C@H](NN1CCCCC1)C1CC1 308581872 573440654 /nfs/dbraw/zinc/44/06/54/573440654.db2.gz KEODRWUJTCRTAE-LBPRGKRZSA-N 0 0 196.338 2.556 10 0 AFAERN O=Cc1n[nH]cc1C1CCCCCC1 257813409 573440678 /nfs/dbraw/zinc/44/06/78/573440678.db2.gz ADINPKOQSBPRAF-UHFFFAOYSA-N 0 0 192.262 2.660 10 0 AFAERN C[C@@H]1CCCC[C@]12CCC(=O)C2 238397663 573443113 /nfs/dbraw/zinc/44/31/13/573443113.db2.gz IAFMEGGPSFSGNG-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1CCCC[C@]12CCCC2=O 238397697 573443125 /nfs/dbraw/zinc/44/31/25/573443125.db2.gz JRFVMWCJHBQJEX-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN CC1=CO[C@H](/C(C)=C/C(C)C)C[C@H]1O 308586045 573443186 /nfs/dbraw/zinc/44/31/86/573443186.db2.gz MFSLCFRYLUTZSW-UEUGTDCTSA-N 0 0 196.290 2.642 10 0 AFAERN COc1c(Cl)ccnc1C(F)F 238396883 573443335 /nfs/dbraw/zinc/44/33/35/573443335.db2.gz OHUXNYVPRAMEDU-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN CC(F)(F)c1nc2ccccc2[nH]1 107256027 573443345 /nfs/dbraw/zinc/44/33/45/573443345.db2.gz XOVLRMBMMQWDAR-UHFFFAOYSA-N 0 0 182.173 2.675 10 0 AFAERN OC1(C2CCCCCCC2)CC1 83188372 573443351 /nfs/dbraw/zinc/44/33/51/573443351.db2.gz DGAOPVARIULTMZ-UHFFFAOYSA-N 0 0 168.280 2.872 10 0 AFAERN CC(=O)c1ccc2c(c1)C(F)(F)CC2 107256073 573443354 /nfs/dbraw/zinc/44/33/54/573443354.db2.gz BZXHNDZXSNPIIJ-UHFFFAOYSA-N 0 0 196.196 2.927 10 0 AFAERN CSc1cc(C)c(C)c(C=O)c1 258022306 573443359 /nfs/dbraw/zinc/44/33/59/573443359.db2.gz OGTXQVAHEPUAHC-UHFFFAOYSA-N 0 0 180.272 2.838 10 0 AFAERN Cc1coc([C@@H](O)CC(C)C)c1 715807310 573443361 /nfs/dbraw/zinc/44/33/61/573443361.db2.gz NLYJGZFOMPXYHC-VIFPVBQESA-N 0 0 168.236 2.668 10 0 AFAERN C[C@@H]1CC2=C(CCCC2)CC1=O 238396623 573443374 /nfs/dbraw/zinc/44/33/74/573443374.db2.gz AHPLGVOKEGYILV-MRVPVSSYSA-N 0 0 164.248 2.856 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H]2CCC[C@@H]2C1 238397966 573443386 /nfs/dbraw/zinc/44/33/86/573443386.db2.gz INKCJQRDFJHBEA-OPRDCNLKSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)C[C@@H](F)c2cc(N)ccc2O1 107255728 573443400 /nfs/dbraw/zinc/44/34/00/573443400.db2.gz FYQJKGITPPYJIK-SECBINFHSA-N 0 0 195.237 2.841 10 0 AFAERN C[C@@H]1C/C=C/C[C@@H](C)CC(=O)C1 238397326 573443431 /nfs/dbraw/zinc/44/34/31/573443431.db2.gz KAQHDYWDXDFPNC-HIHHVFROSA-N 0 0 166.264 2.958 10 0 AFAERN CC(F)(F)c1ccccc1O 107256067 573443484 /nfs/dbraw/zinc/44/34/84/573443484.db2.gz HNTNJVRNSZONKE-UHFFFAOYSA-N 0 0 158.147 2.504 10 0 AFAERN Nc1ccc([C@H]2CCCS2)cc1 257816718 573445942 /nfs/dbraw/zinc/44/59/42/573445942.db2.gz DJEBVNJNKLSMMN-SNVBAGLBSA-N 0 0 179.288 2.837 10 0 AFAERN Nc1ccc([C@H](F)C2CC2)cc1 107256048 573446106 /nfs/dbraw/zinc/44/61/06/573446106.db2.gz MLHVEXHNIUMWER-SNVBAGLBSA-N 0 0 165.211 2.689 10 0 AFAERN CC1=CO[C@H](/C(C)=C/C(C)C)C[C@@H]1O 308586040 573446117 /nfs/dbraw/zinc/44/61/17/573446117.db2.gz MFSLCFRYLUTZSW-DRXGGPSDSA-N 0 0 196.290 2.642 10 0 AFAERN Fc1ccc2c(c1)NCC[C@@H]2F 107258370 573451784 /nfs/dbraw/zinc/45/17/84/573451784.db2.gz QBGQYNQVRRGUQF-QMMMGPOBSA-N 0 0 169.174 2.652 10 0 AFAERN COc1cccc(N)c1C1CCCC1 259449662 573451792 /nfs/dbraw/zinc/45/17/92/573451792.db2.gz LWABBACJJFZZDK-UHFFFAOYSA-N 0 0 191.274 2.935 10 0 AFAERN Cc1coc([C@@H](O)[C@H]2CC=CCC2)c1 715809118 573451801 /nfs/dbraw/zinc/45/18/01/573451801.db2.gz ZWUIPDZFKWTVAG-JQWIXIFHSA-N 0 0 192.258 2.978 10 0 AFAERN CCCCCC[C@H](CCO)OCC 238221733 573451841 /nfs/dbraw/zinc/45/18/41/573451841.db2.gz ALEBGBULHACTMN-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CCn1nc(Cl)c2cccc(F)c21 257816937 573451911 /nfs/dbraw/zinc/45/19/11/573451911.db2.gz CESCTPRKUAVFSO-UHFFFAOYSA-N 0 0 198.628 2.849 10 0 AFAERN COc1c(C(F)F)ccnc1Cl 238400809 573451962 /nfs/dbraw/zinc/45/19/62/573451962.db2.gz ZNVOEJOARNJLNO-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN Cc1coc([C@@H](O)c2occc2C)c1 715808846 573452117 /nfs/dbraw/zinc/45/21/17/573452117.db2.gz YGUYDFVEUOEPDL-SNVBAGLBSA-N 0 0 192.214 2.571 10 0 AFAERN CC(C)c1ccccc1[C@@H](F)CO 257817569 573452132 /nfs/dbraw/zinc/45/21/32/573452132.db2.gz CHWBONSOCXKTFD-NSHDSACASA-N 0 0 182.238 2.813 10 0 AFAERN Nc1ccc(F)c2c(F)cccc12 142535246 573454606 /nfs/dbraw/zinc/45/46/06/573454606.db2.gz HAGNUDVNNJJHTJ-UHFFFAOYSA-N 0 0 179.169 2.700 10 0 AFAERN Cc1c(F)cnc2c(C)cccc12 257817042 573454620 /nfs/dbraw/zinc/45/46/20/573454620.db2.gz DMDOCYNVAPJVHL-UHFFFAOYSA-N 0 0 175.206 2.991 10 0 AFAERN CO/C(=C/Cl)c1ccccc1 224914024 573454623 /nfs/dbraw/zinc/45/46/23/573454623.db2.gz KCASNDFMBLRBMX-VQHVLOKHSA-N 0 0 168.623 2.870 10 0 AFAERN CC(C)(C)CCCO[C@@H]1CCC(=O)C1 308590608 573454690 /nfs/dbraw/zinc/45/46/90/573454690.db2.gz VDPIYQQAIPFFOZ-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@H](O)c1cc(Cl)c2c(c1)CCC2 213988649 571697274 /nfs/dbraw/zinc/69/72/74/571697274.db2.gz UZIHOADSSKLWGM-ZETCQYMHSA-N 0 0 196.677 2.882 10 0 AFAERN COc1cccc2[nH]c(Cl)cc12 238400768 573454750 /nfs/dbraw/zinc/45/47/50/573454750.db2.gz IRXFKPWBQPNKBU-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN C/C=C/[C@@H](CCO)CC(C)C 214039752 571707190 /nfs/dbraw/zinc/70/71/90/571707190.db2.gz PORDNDFHVHEEGN-YEZKRMTDSA-N 0 0 156.269 2.607 10 0 AFAERN CCCC[C@H](NN)C1C(C)(C)C1(C)C 130167239 573455138 /nfs/dbraw/zinc/45/51/38/573455138.db2.gz BPJSXWJVNQIBTF-VIFPVBQESA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@@H](CO)[C@H]1CCCCCS1 214114094 571716523 /nfs/dbraw/zinc/71/65/23/571716523.db2.gz SMOISMALZVQNOO-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@H](CO)[C@@H]1CCCSCC1 214116081 571716526 /nfs/dbraw/zinc/71/65/26/571716526.db2.gz QSLLGVHWGSKRRI-NXEZZACHSA-N 0 0 188.336 2.538 10 0 AFAERN CC(C)[C@@H](CO)[C@H]1CCCCS1 214114608 571716530 /nfs/dbraw/zinc/71/65/30/571716530.db2.gz GSZYUIUJNCJVJV-NXEZZACHSA-N 0 0 188.336 2.537 10 0 AFAERN CO[C@H](CNc1ccsc1)C1CC1 400194452 571716881 /nfs/dbraw/zinc/71/68/81/571716881.db2.gz NYSZQROIVOREEZ-SNVBAGLBSA-N 0 0 197.303 2.585 10 0 AFAERN C[C@H](CCCO)[C@@H]1CCCSC1 214117536 571716898 /nfs/dbraw/zinc/71/68/98/571716898.db2.gz LIRJSTKLGFVHLL-NXEZZACHSA-N 0 0 188.336 2.538 10 0 AFAERN CC(C)[C@@H](CCCO)[C@H]1CCS1 214115867 571716904 /nfs/dbraw/zinc/71/69/04/571716904.db2.gz MUKYJBOLYBTPCH-NXEZZACHSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@@H](CCO)[C@H]1CCCSC1 214117332 571716920 /nfs/dbraw/zinc/71/69/20/571716920.db2.gz NUYXKCWLLPNOEV-UWVGGRQHSA-N 0 0 188.336 2.538 10 0 AFAERN C[C@H](F)CSc1ccccc1C=O 214106601 571716922 /nfs/dbraw/zinc/71/69/22/571716922.db2.gz LRHLJFROSMMIRC-QMMMGPOBSA-N 0 0 198.262 2.949 10 0 AFAERN CC(C)[C@H](CCCO)[C@@H]1CCS1 214115810 571716924 /nfs/dbraw/zinc/71/69/24/571716924.db2.gz MUKYJBOLYBTPCH-UWVGGRQHSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@H](CCCO)[C@H]1CCCSC1 214117646 571716953 /nfs/dbraw/zinc/71/69/53/571716953.db2.gz LIRJSTKLGFVHLL-ZJUUUORDSA-N 0 0 188.336 2.538 10 0 AFAERN CC[C@H](CCO)C1CCSCC1 214116738 571716968 /nfs/dbraw/zinc/71/69/68/571716968.db2.gz QZZAREVCSRLNEM-SECBINFHSA-N 0 0 188.336 2.538 10 0 AFAERN CC[C@H](CO)[C@@H]1CCCCCS1 214114036 571716978 /nfs/dbraw/zinc/71/69/78/571716978.db2.gz SMOISMALZVQNOO-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN C[C@H](CCCO)[C@@H]1CCCCS1 214115025 571717015 /nfs/dbraw/zinc/71/70/15/571717015.db2.gz IIMZYVHIXCTENU-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)n1cc(OC(C)(C)C)cn1 258496064 573455314 /nfs/dbraw/zinc/45/53/14/573455314.db2.gz LVVIOYSHULMSEH-UHFFFAOYSA-N 0 0 182.267 2.641 10 0 AFAERN O[C@@H](c1ccc2ncccc2c1)C1CC1 70735954 571745812 /nfs/dbraw/zinc/74/58/12/571745812.db2.gz ZXFYFJCIOYMLPU-CYBMUJFWSA-N 0 0 199.253 2.678 10 0 AFAERN O=Cc1ccc2c(c1)[C@@H](F)CCC2 107267145 573456884 /nfs/dbraw/zinc/45/68/84/573456884.db2.gz AMXYNJPIKUVVMF-NSHDSACASA-N 0 0 178.206 2.846 10 0 AFAERN CCc1nc(Cl)nc2ccccc12 257814170 573456910 /nfs/dbraw/zinc/45/69/10/573456910.db2.gz CJAXUTZBPIWROU-UHFFFAOYSA-N 0 0 192.649 2.846 10 0 AFAERN CCC[C@H](C)C[C@H](O)[C@@H](C)OCC 70829723 571763717 /nfs/dbraw/zinc/76/37/17/571763717.db2.gz ILRLHERTGNVHJQ-AXFHLTTASA-N 0 0 188.311 2.599 10 0 AFAERN CCC(C)(C)CCC[C@H](C)O 17617637 571764047 /nfs/dbraw/zinc/76/40/47/571764047.db2.gz VVXPURGVQYGXPM-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN Cc1n[nH]c(=S)n1[C@@H](C)CC(C)C 37265240 571764064 /nfs/dbraw/zinc/76/40/64/571764064.db2.gz JUFQGPKKOYNYSN-ZETCQYMHSA-N 0 0 199.323 2.856 10 0 AFAERN C[C@@H]1C=CC[C@H]2CCCCC(=O)[C@@H]12 238402395 573456986 /nfs/dbraw/zinc/45/69/86/573456986.db2.gz UVZZREJISXPDGL-FOGDFJRCSA-N 0 0 178.275 2.958 10 0 AFAERN CCOC(OCC)[C@@H](C)C(C)C 200330251 571803778 /nfs/dbraw/zinc/80/37/78/571803778.db2.gz KIGGKCXRPMWZEL-VIFPVBQESA-N 0 0 174.284 2.678 10 0 AFAERN CC(=O)[C@@H]1C=C[C@@H](C)[C@@H]2C=CC[C@H]12 238403241 573457059 /nfs/dbraw/zinc/45/70/59/573457059.db2.gz HAJXTNTXXIZEII-QTKMDUPCSA-N 0 0 176.259 2.590 10 0 AFAERN CC(C)=CCCCCCO 39205389 571909179 /nfs/dbraw/zinc/90/91/79/571909179.db2.gz AAKBYYSSEPSTTE-UHFFFAOYSA-N 0 0 142.242 2.505 10 0 AFAERN O=C1CCCC[C@@H](C2=CCCCC2)N1 39212666 571909258 /nfs/dbraw/zinc/90/92/58/571909258.db2.gz QGCZLSRHEVMNKO-NSHDSACASA-N 0 0 193.290 2.546 10 0 AFAERN C[C@H]1Nc2ccccc2-n2cccc21 39203894 571909269 /nfs/dbraw/zinc/90/92/69/571909269.db2.gz DUFOAWNYZOREGP-SECBINFHSA-N 0 0 184.242 2.964 10 0 AFAERN Cc1cc2cccc(N)c2c(N)c1C 39207379 571909306 /nfs/dbraw/zinc/90/93/06/571909306.db2.gz LNVFESULERAKNP-UHFFFAOYSA-N 0 0 186.258 2.621 10 0 AFAERN COc1ccc2occc2c1C(C)=O 39213154 571909312 /nfs/dbraw/zinc/90/93/12/571909312.db2.gz IXKMLCQDBKIXOQ-UHFFFAOYSA-N 0 0 190.198 2.644 10 0 AFAERN CCc1c(C)cc(C)c(O)c1C 39212749 571909316 /nfs/dbraw/zinc/90/93/16/571909316.db2.gz ULQMJXQFFLQNJU-UHFFFAOYSA-N 0 0 164.248 2.880 10 0 AFAERN CSC(=O)NCc1ccc(C)cc1 238402796 573457097 /nfs/dbraw/zinc/45/70/97/573457097.db2.gz QVEGWROHQHZKJU-UHFFFAOYSA-N 0 0 195.287 2.568 10 0 AFAERN COc1ccc2c(c1)C[C@@H](F)CC2 107262132 573457098 /nfs/dbraw/zinc/45/70/98/573457098.db2.gz MAHBPWZWVIUGTP-JTQLQIEISA-N 0 0 180.222 2.522 10 0 AFAERN Cc1cc2ccc(N)cc2c(Cl)n1 258365713 573457100 /nfs/dbraw/zinc/45/71/00/573457100.db2.gz WTRAHXJTBPJIAE-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCCCCNC(=O)O[C@H](C)CC 148047253 571912530 /nfs/dbraw/zinc/91/25/30/571912530.db2.gz YDTAHLCRBXHAAR-SECBINFHSA-N 0 0 187.283 2.701 10 0 AFAERN CCOc1cccc2c(N)cccc12 39250907 571917098 /nfs/dbraw/zinc/91/70/98/571917098.db2.gz YHKGVWJTCIMXKE-UHFFFAOYSA-N 0 0 187.242 2.821 10 0 AFAERN COC1=NCC[C@H](C(C)(C)C)CC1 39253257 571917103 /nfs/dbraw/zinc/91/71/03/571917103.db2.gz DYYIRFDKXHVKJI-SECBINFHSA-N 0 0 183.295 2.878 10 0 AFAERN Cc1cc2c(O)c(C=O)ccc2s1 39257246 571917192 /nfs/dbraw/zinc/91/71/92/571917192.db2.gz OTXSAXMPCHMPCH-UHFFFAOYSA-N 0 0 192.239 2.728 10 0 AFAERN Cc1cc(C=O)c2cccccc1-2 142605770 573459417 /nfs/dbraw/zinc/45/94/17/573459417.db2.gz LDAPUEFZPIBCCV-UHFFFAOYSA-N 0 0 170.211 2.912 10 0 AFAERN CCOC(=O)/C=C/C=C/C1CCCC1 300778636 571922610 /nfs/dbraw/zinc/92/26/10/571922610.db2.gz RDNZEGCOQFZRBN-NXZHAISVSA-N 0 0 194.274 2.852 10 0 AFAERN C[C@H]1CC(NOCC2CC2)C[C@H](C)C1 711210414 571922627 /nfs/dbraw/zinc/92/26/27/571922627.db2.gz XTGZQFZRAUIZKV-NXEZZACHSA-N 0 0 197.322 2.742 10 0 AFAERN CC(C)(C)[C@]1(C)CCCC1=O 196140761 571922628 /nfs/dbraw/zinc/92/26/28/571922628.db2.gz SQHZAEKXQGTIKD-SNVBAGLBSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)C(C)(C)Cn1ccc(CO)c1 713128910 571922634 /nfs/dbraw/zinc/92/26/34/571922634.db2.gz DALRTUKNMQZLMU-UHFFFAOYSA-N 0 0 195.306 2.663 10 0 AFAERN CCC1(CC(=O)[C@@H]2CCOC2)CCC1 393665497 573459431 /nfs/dbraw/zinc/45/94/31/573459431.db2.gz HSHYATSRUWZSAU-SNVBAGLBSA-N 0 0 196.290 2.562 10 0 AFAERN CCC(=O)CO[C@@H]1CC[C@H](C)[C@@H](C)C1 220906002 571923320 /nfs/dbraw/zinc/92/33/20/571923320.db2.gz GKCFYHAGOSYECQ-JBLDHEPKSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)C(C)(C)CS[C@@H](C)CO 713145872 571942572 /nfs/dbraw/zinc/94/25/72/571942572.db2.gz NWXQJFKGMLSRJA-VIFPVBQESA-N 0 0 190.352 2.783 10 0 AFAERN Fc1cccc(Oc2cnoc2)c1 258383192 573460498 /nfs/dbraw/zinc/46/04/98/573460498.db2.gz HKUSAMYLCRVZDX-UHFFFAOYSA-N 0 0 179.150 2.606 10 0 AFAERN CCCC(=O)CC[C@H]1CCC[C@H](O)C1 308592079 573460539 /nfs/dbraw/zinc/46/05/39/573460539.db2.gz WBZFSIBFILBEMY-PWSUYJOCSA-N 0 0 198.306 2.687 10 0 AFAERN COc1cccc2c(C)ccc(O)c12 238402122 573460562 /nfs/dbraw/zinc/46/05/62/573460562.db2.gz APHJTLIYICWFCV-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CC1=C(CCO)CCC1(C)C 139658294 571953469 /nfs/dbraw/zinc/95/34/69/571953469.db2.gz DGUXWWRONYUXGA-UHFFFAOYSA-N 0 0 154.253 2.505 10 0 AFAERN COP(=O)(C/C(C)=C\Cl)OC 215276914 573460617 /nfs/dbraw/zinc/46/06/17/573460617.db2.gz YACSVQJZTDHWKU-XQRVVYSFSA-N 0 0 198.586 2.615 10 0 AFAERN CC(F)(F)c1ccc(F)c(O)c1 107270190 573460653 /nfs/dbraw/zinc/46/06/53/573460653.db2.gz NVAZPLNASFOLFB-UHFFFAOYSA-N 0 0 176.137 2.643 10 0 AFAERN CCC(=O)[C@]1(OC)C[C@H](C)CC[C@@H]1C 687690607 571964057 /nfs/dbraw/zinc/96/40/57/571964057.db2.gz NDTCVKORVNZBJZ-SCVCMEIPSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)c1cccc2cccc(O)c12 32210433 571971198 /nfs/dbraw/zinc/97/11/98/571971198.db2.gz KTFHMEIAZXUMON-UHFFFAOYSA-N 0 0 186.210 2.748 10 0 AFAERN COc1ccc2c(c1)[C@H](F)CCC2=O 107271025 573464973 /nfs/dbraw/zinc/46/49/73/573464973.db2.gz PETSIWDLZYQNCF-SNVBAGLBSA-N 0 0 194.205 2.682 10 0 AFAERN C[C@@H]1C=C[C@@]2(C)C(=O)CCC[C@@H]12 238405176 573465027 /nfs/dbraw/zinc/46/50/27/573465027.db2.gz LXXYKJLMDOPLBN-WCABBAIRSA-N 0 0 164.248 2.568 10 0 AFAERN O[C@@H]1CC[C@H]2CSc3cccc1c32 142695942 573465147 /nfs/dbraw/zinc/46/51/47/573465147.db2.gz WMJKQOPRGDHXMF-IONNQARKSA-N 0 0 192.283 2.703 10 0 AFAERN CC(C)(O)C1CCCCCC1 32212106 571972565 /nfs/dbraw/zinc/97/25/65/571972565.db2.gz LFNOSERJRPEZBS-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN CCc1cc2ccc(F)cc2[nH]1 39089004 571972604 /nfs/dbraw/zinc/97/26/04/571972604.db2.gz KUOWDSIZABJGCF-UHFFFAOYSA-N 0 0 163.195 2.869 10 0 AFAERN O=C(O[C@H]1C=CCC1)c1ccccc1 32213581 571972614 /nfs/dbraw/zinc/97/26/14/571972614.db2.gz BTLKCQKGDWHFJF-NSHDSACASA-N 0 0 188.226 2.562 10 0 AFAERN C[C@H]1C[C@H](O)c2cc(Cl)ccc21 32207199 571972618 /nfs/dbraw/zinc/97/26/18/571972618.db2.gz PQRLNUQNILHITK-WKEGUHRASA-N 0 0 182.650 2.881 10 0 AFAERN C[C@@H]1C[C@H](O)c2cc(Cl)ccc21 32207195 571972672 /nfs/dbraw/zinc/97/26/72/571972672.db2.gz PQRLNUQNILHITK-LDWIPMOCSA-N 0 0 182.650 2.881 10 0 AFAERN CC(C)[C@H]1CNc2ccccc2O1 59788019 571972725 /nfs/dbraw/zinc/97/27/25/571972725.db2.gz QBZFAOQLIVNFLL-LLVKDONJSA-N 0 0 177.247 2.516 10 0 AFAERN C[C@]12CCCC=C1C[C@H](O)CC2 32225250 571973047 /nfs/dbraw/zinc/97/30/47/571973047.db2.gz JQCCPUMIRXBPCY-GHMZBOCLSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@]12CCCC=C1C[C@@H](O)CC2 32225247 571973099 /nfs/dbraw/zinc/97/30/99/571973099.db2.gz JQCCPUMIRXBPCY-QWRGUYRKSA-N 0 0 166.264 2.648 10 0 AFAERN CCCC(=O)c1[nH]ccc1Cl 32303101 571976102 /nfs/dbraw/zinc/97/61/02/571976102.db2.gz IRXXDXRWLWOGQA-UHFFFAOYSA-N 0 0 171.627 2.651 10 0 AFAERN CC(C)(C)C[C@H](O)[C@@]1(C)C[C@H]1F 713173557 571984890 /nfs/dbraw/zinc/98/48/90/571984890.db2.gz ZLZLCPNELPYMRK-WEDXCCLWSA-N 0 0 174.259 2.532 10 0 AFAERN Oc1ccc([C@H]2CCC[C@@H]2F)cc1 107278551 573467045 /nfs/dbraw/zinc/46/70/45/573467045.db2.gz LQCQEMUUVIDJAY-MNOVXSKESA-N 0 0 180.222 2.998 10 0 AFAERN C[C@]1(c2ccccc2)NCCC1(F)F 107275173 573467085 /nfs/dbraw/zinc/46/70/85/573467085.db2.gz XMZBDDVEZJJXFI-SNVBAGLBSA-N 0 0 197.228 2.530 10 0 AFAERN O=Cc1cccc([C@@H](F)C2CC2)c1 107281297 573471829 /nfs/dbraw/zinc/47/18/29/573471829.db2.gz DXVCQCPZBLADJD-NSHDSACASA-N 0 0 178.206 2.920 10 0 AFAERN Oc1ccccc1[C@@H](F)C(F)(F)F 107279320 573471844 /nfs/dbraw/zinc/47/18/44/573471844.db2.gz YFDJPQXDMZEVSA-SSDOTTSWSA-N 0 0 194.127 2.965 10 0 AFAERN CC(=O)c1oncc1-c1ccccc1 257820755 573471877 /nfs/dbraw/zinc/47/18/77/573471877.db2.gz DODBIXGTFVATQR-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN Clc1cc2c3c(c1)CCN3CCC2 259463316 573471932 /nfs/dbraw/zinc/47/19/32/573471932.db2.gz LHSIKVFWDBGKAI-UHFFFAOYSA-N 0 0 193.677 2.649 10 0 AFAERN CC/C(=C/[C@H](C)CC(C)C)CO 300837156 571977962 /nfs/dbraw/zinc/97/79/62/571977962.db2.gz CRZCZTDMPYXQGL-PAKSIRSJSA-N 0 0 170.296 2.997 10 0 AFAERN CSC[C@H](C)C(=O)c1coc(C)c1 300837315 571978027 /nfs/dbraw/zinc/97/80/27/571978027.db2.gz IELXIYCZSBDHQV-ZETCQYMHSA-N 0 0 198.287 2.770 10 0 AFAERN CC(=O)c1c(C)ccc2c1CCC2 196429197 571978049 /nfs/dbraw/zinc/97/80/49/571978049.db2.gz SFWQOKOYOLTKTE-UHFFFAOYSA-N 0 0 174.243 2.686 10 0 AFAERN c1cc2c3c(ccc2o1)NCCC3 196426987 571978072 /nfs/dbraw/zinc/97/80/72/571978072.db2.gz LDVYAEKWXXJKPJ-UHFFFAOYSA-N 0 0 173.215 2.791 10 0 AFAERN C=CC(=O)NC(C)(C)CCC(C)C 139897028 571978085 /nfs/dbraw/zinc/97/80/85/571978085.db2.gz RIUHZBLOGWRWGG-UHFFFAOYSA-N 0 0 183.295 2.503 10 0 AFAERN CCNc1snc2ccsc12 196427067 571978123 /nfs/dbraw/zinc/97/81/23/571978123.db2.gz CPJNWOBVFBCASH-UHFFFAOYSA-N 0 0 184.289 2.790 10 0 AFAERN Cc1ccc(-c2c[nH]cn2)c(C)c1 41168549 571978151 /nfs/dbraw/zinc/97/81/51/571978151.db2.gz HNNCQTTZBQPWSC-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CC/C(=C/[C@@H](C)CC(C)C)CO 300837157 571978155 /nfs/dbraw/zinc/97/81/55/571978155.db2.gz CRZCZTDMPYXQGL-QBQSQJOESA-N 0 0 170.296 2.997 10 0 AFAERN CCC(CC)CO[C@@H]1CCCC(=O)C1 300831090 571978165 /nfs/dbraw/zinc/97/81/65/571978165.db2.gz HPSNMKPOWCUETG-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@H](CCO)c1ccc2c(c1)CCC2 41205083 571982681 /nfs/dbraw/zinc/98/26/81/571982681.db2.gz QGRXGTHGFJAMCD-SNVBAGLBSA-N 0 0 190.286 2.661 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)C(F)(F)F 300871118 571997534 /nfs/dbraw/zinc/99/75/34/571997534.db2.gz HOCPACPQIGBVIL-NKWVEPMBSA-N 0 0 184.201 2.592 10 0 AFAERN Cc1nc(-c2ccc(F)cc2)c[nH]1 39133227 571997557 /nfs/dbraw/zinc/99/75/57/571997557.db2.gz YWBKDZXTYISVFV-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN C[C@@H]1CCC[C@@]1(O)c1cccs1 83395042 573477686 /nfs/dbraw/zinc/47/76/86/573477686.db2.gz VMQLXBYRORRVNZ-SCZZXKLOSA-N 0 0 182.288 2.756 10 0 AFAERN C[C@H]1CCC[C@]1(O)C1CCCC1 83395468 573477691 /nfs/dbraw/zinc/47/76/91/573477691.db2.gz RKLMSWJJGDKWLD-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)OC[C@@H]1CCCCCC1=O 86527540 573477707 /nfs/dbraw/zinc/47/77/07/573477707.db2.gz OQYFDGSZOVTBKN-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CC1(C[C@H](NN)C2CCCC2)CCC1 308593909 573477733 /nfs/dbraw/zinc/47/77/33/573477733.db2.gz XGXPFBMBEVJDNR-NSHDSACASA-N 0 0 196.338 2.589 10 0 AFAERN C[C@H]1CCC[C@]1(O)c1cccs1 83395039 573477745 /nfs/dbraw/zinc/47/77/45/573477745.db2.gz VMQLXBYRORRVNZ-WCBMZHEXSA-N 0 0 182.288 2.756 10 0 AFAERN C[C@H](CO)[C@H](C)/C=C\c1ccccc1 308584985 573477850 /nfs/dbraw/zinc/47/78/50/573477850.db2.gz LRPPGMYBXSAKDV-DSWQZHNZSA-N 0 0 190.286 2.964 10 0 AFAERN CC1(C[C@@H](NN)C2CCCC2)CCC1 308593907 573477857 /nfs/dbraw/zinc/47/78/57/573477857.db2.gz XGXPFBMBEVJDNR-LLVKDONJSA-N 0 0 196.338 2.589 10 0 AFAERN CC(C)C[C@@H](C)C[C@@H](NN)C1CCC1 300857201 571988540 /nfs/dbraw/zinc/98/85/40/571988540.db2.gz GAJNMJFLJRAJCB-ZYHUDNBSSA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@H](C)CNC(=O)CC1CCCC1 114057628 571989127 /nfs/dbraw/zinc/98/91/27/571989127.db2.gz SZKXIGSHPVKJLC-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)C[C@]1(O)CCC[C@@H]1C 83395625 573477887 /nfs/dbraw/zinc/47/78/87/573477887.db2.gz RCIFEPOAAWAPEZ-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN COCC[C@H](C)n1c(C)ccc1C 81721279 571991244 /nfs/dbraw/zinc/99/12/44/571991244.db2.gz CPKNXWOWIXVSOY-NSHDSACASA-N 0 0 181.279 2.702 10 0 AFAERN C[C@@]12C=CC[C@@]13CCCCC(=O)[C@@H]23 238415584 573481574 /nfs/dbraw/zinc/48/15/74/573481574.db2.gz KSQSJAKGHCVTHO-SDDRHHMPSA-N 0 0 176.259 2.712 10 0 AFAERN C[C@@]12C=CC[C@@H]1CCCCC2=O 238415537 573481619 /nfs/dbraw/zinc/48/16/19/573481619.db2.gz KYYJEQVPAYHJRU-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN CCON1C(C)(C)CCCC1(C)C 39276323 572006714 /nfs/dbraw/zinc/00/67/14/572006714.db2.gz PHYWCTXYTKLZRX-UHFFFAOYSA-N 0 0 185.311 2.981 10 0 AFAERN CCCCc1ccc(N)c(OC)c1 82057511 572015355 /nfs/dbraw/zinc/01/53/55/572015355.db2.gz RJUNWDIQSYVOOU-UHFFFAOYSA-N 0 0 179.263 2.620 10 0 AFAERN Cc1ccc2c(c1)C1(CC1)C(=O)CC2 259471668 573485068 /nfs/dbraw/zinc/48/50/68/573485068.db2.gz WUKFWWQCYSHLOU-UHFFFAOYSA-N 0 0 186.254 2.542 10 0 AFAERN C[C@@H]1CC(=O)[C@@]2(C)CC=CC[C@@H]12 238415391 573485088 /nfs/dbraw/zinc/48/50/88/573485088.db2.gz JBEVSWDQTRTOCX-YWVKMMECSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cccc2c1c(Cl)nn2C 257819496 573485096 /nfs/dbraw/zinc/48/50/96/573485096.db2.gz FHOXQGASHGIDKQ-UHFFFAOYSA-N 0 0 180.638 2.535 10 0 AFAERN CNc1nc(C)c(CCC(C)C)o1 258675127 573485124 /nfs/dbraw/zinc/48/51/24/573485124.db2.gz FPKDLPOQMFQYKE-UHFFFAOYSA-N 0 0 182.267 2.613 10 0 AFAERN CCCC[C@@H](CCC1CCCC1)NN 130139770 573485149 /nfs/dbraw/zinc/48/51/49/573485149.db2.gz XPTMCCPADSKXOL-LBPRGKRZSA-N 0 0 198.354 2.979 10 0 AFAERN C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)C(F)F 300239486 572017317 /nfs/dbraw/zinc/01/73/17/572017317.db2.gz AFRWRSKSUKQIED-HRDYMLBCSA-N 0 0 191.265 2.666 10 0 AFAERN Cc1cc(C(=O)[C@@H]2CCSC2)co1 687699235 572018431 /nfs/dbraw/zinc/01/84/31/572018431.db2.gz DQXWEWJVNPVWRK-MRVPVSSYSA-N 0 0 196.271 2.524 10 0 AFAERN C[C@@H]1CC(=O)CC(C)(C)[C@@H]1C 14764669 572018504 /nfs/dbraw/zinc/01/85/04/572018504.db2.gz RIAQBNSPOHNARJ-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1[C@H](C)CC(=O)CC1(C)C 14764673 572018508 /nfs/dbraw/zinc/01/85/08/572018508.db2.gz RIAQBNSPOHNARJ-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CCCCNN1[C@@H](C)CCC[C@@H]1C 213924688 572022746 /nfs/dbraw/zinc/02/27/46/572022746.db2.gz IXTPJMQQDZZPAT-QWRGUYRKSA-N 0 0 184.327 2.554 10 0 AFAERN CC[C@@]1(C2CCCCC2)CCC(=O)N1 3638137 573485192 /nfs/dbraw/zinc/48/51/92/573485192.db2.gz DDQRLPNIUKEIRP-LBPRGKRZSA-N 0 0 195.306 2.626 10 0 AFAERN Cc1ccccc1-c1ccncc1C=O 82385213 572024213 /nfs/dbraw/zinc/02/42/13/572024213.db2.gz CXKPPLDBUKQSBI-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CSc1ccc(CC(C)C)n1C 75469261 572024215 /nfs/dbraw/zinc/02/42/15/572024215.db2.gz BYCANBMUAKORSX-UHFFFAOYSA-N 0 0 183.320 2.946 10 0 AFAERN CCO[C@]1(C(C)=O)C[C@H](C)CC[C@@H]1C 687775165 572024579 /nfs/dbraw/zinc/02/45/79/572024579.db2.gz SIXCRLCFBCKKMT-JFGNBEQYSA-N 0 0 198.306 2.807 10 0 AFAERN C[NH2+][C@@H](CC(C)C)c1cccc(C)n1 82458946 572024581 /nfs/dbraw/zinc/02/45/81/572024581.db2.gz JJPHXCKAEBFQSN-LBPRGKRZSA-N 0 0 192.306 2.697 10 0 AFAERN CCO[C@]1(C(C)=O)C[C@@H](C)CC[C@@H]1C 687775163 572024584 /nfs/dbraw/zinc/02/45/84/572024584.db2.gz SIXCRLCFBCKKMT-JBLDHEPKSA-N 0 0 198.306 2.807 10 0 AFAERN CCc1cc(F)nc(CC(C)(C)C)n1 689964276 573490606 /nfs/dbraw/zinc/49/06/06/573490606.db2.gz UZSFSCIEJHWGSJ-UHFFFAOYSA-N 0 0 196.269 2.767 10 0 AFAERN CCC(=O)[C@@H](C)Cc1ccsc1 82442522 572026657 /nfs/dbraw/zinc/02/66/57/572026657.db2.gz DXRUAFZMUONNGI-QMMMGPOBSA-N 0 0 182.288 2.906 10 0 AFAERN CCCOc1ccccc1[C@@H](O)CC 35625916 572026743 /nfs/dbraw/zinc/02/67/43/572026743.db2.gz NOZLODGPRLAGMI-NSHDSACASA-N 0 0 194.274 2.919 10 0 AFAERN CCC(=O)[C@H](C)Cc1cccc(F)c1 82442493 572027867 /nfs/dbraw/zinc/02/78/67/572027867.db2.gz URNQJSJFXOTPOW-SECBINFHSA-N 0 0 194.249 2.983 10 0 AFAERN Nc1occ(C=O)c1C1CCCCC1 75525883 572028326 /nfs/dbraw/zinc/02/83/26/572028326.db2.gz QLBBZROXWDNWEQ-UHFFFAOYSA-N 0 0 193.246 2.722 10 0 AFAERN CC[C@H](O)[C@H](C)Cc1cccc(C)c1 82447969 572029317 /nfs/dbraw/zinc/02/93/17/572029317.db2.gz DVFITQJJEGIJCK-YPMHNXCESA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@@H](O)[C@H](C)Cc1ccc(C)cc1 82447963 572029328 /nfs/dbraw/zinc/02/93/28/572029328.db2.gz CYBXKHBGMDBUMZ-DGCLKSJQSA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@H](O)[C@H](C)Cc1ccc(C)cc1 82447961 572029336 /nfs/dbraw/zinc/02/93/36/572029336.db2.gz CYBXKHBGMDBUMZ-YPMHNXCESA-N 0 0 192.302 2.945 10 0 AFAERN C/C=C/COc1ccc([C@H](C)O)cc1 35626422 572029347 /nfs/dbraw/zinc/02/93/47/572029347.db2.gz YKNWWQNKYCDAFW-FSIBCCDJSA-N 0 0 192.258 2.695 10 0 AFAERN C[C@@H](O)c1ccccc1OCC1CC1 35650600 572029357 /nfs/dbraw/zinc/02/93/57/572029357.db2.gz NJMGPAZOXVMDNA-SECBINFHSA-N 0 0 192.258 2.529 10 0 AFAERN CC[C@@H](O)[C@@H](C)CC1CCCC1 82448085 572029406 /nfs/dbraw/zinc/02/94/06/572029406.db2.gz SPORPUHUASOSOT-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)[C@H](C)CCC(C)C 82447991 572029415 /nfs/dbraw/zinc/02/94/15/572029415.db2.gz BLXFNKYQWNXNTE-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1cccc(C)n1 82451373 572030792 /nfs/dbraw/zinc/03/07/92/572030792.db2.gz AUWVQPONQJLTAF-BXKDBHETSA-N 0 0 193.290 2.860 10 0 AFAERN C[C@@H]1CCC[C@@H](C[C@@H](C)NC=O)CC1 238408574 573492345 /nfs/dbraw/zinc/49/23/45/573492345.db2.gz MQNHHHGMAZBFHN-IJLUTSLNSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)=C/C=C/[C@H](C)[C@@H](C)O 238408430 573492356 /nfs/dbraw/zinc/49/23/56/573492356.db2.gz ULIRQZURIDDABP-IUUOVRRDSA-N 0 0 154.253 2.526 10 0 AFAERN C/C=C/CCOCCCC 33841019 572036049 /nfs/dbraw/zinc/03/60/49/572036049.db2.gz UUEGKPWXSNZZOS-HWKANZROSA-N 0 0 142.242 2.769 10 0 AFAERN CCC/C=C/[C@H](O)C(C)(C)C 33841113 572036074 /nfs/dbraw/zinc/03/60/74/572036074.db2.gz JDLUVPHVGCJDIH-FLOXNTQESA-N 0 0 156.269 2.750 10 0 AFAERN CCCC[C@H](C)[C@H](O)c1cccnc1 300901878 572036525 /nfs/dbraw/zinc/03/65/25/572036525.db2.gz JAGDUQCGKCIMGG-JQWIXIFHSA-N 0 0 193.290 2.941 10 0 AFAERN CC/C=C/COCCCC 33840984 572036529 /nfs/dbraw/zinc/03/65/29/572036529.db2.gz NCHOCVFPZFMIHO-FNORWQNLSA-N 0 0 142.242 2.769 10 0 AFAERN [NH3+][C@@H](CCCC(F)F)c1ccco1 687884306 572041429 /nfs/dbraw/zinc/04/14/29/572041429.db2.gz QCLAGMVCEAPKLJ-ZETCQYMHSA-N 0 0 189.205 2.715 10 0 AFAERN CCOC(CSC(C)C)OCC 82486386 572041493 /nfs/dbraw/zinc/04/14/93/572041493.db2.gz QWZQIOJCGMZEDG-UHFFFAOYSA-N 0 0 192.324 2.527 10 0 AFAERN CCC(CC)CO[C@@H]1CCC(=O)C1 300911753 572041839 /nfs/dbraw/zinc/04/18/39/572041839.db2.gz XXJCIEQTUWXOPK-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C[C@H](C)Cc1cnc(N)s1 300913687 572042885 /nfs/dbraw/zinc/04/28/85/572042885.db2.gz MDKOLHQPNAQQKE-QMMMGPOBSA-N 0 0 198.335 2.950 10 0 AFAERN COc1cc2sncc2cc1Cl 238408554 573492976 /nfs/dbraw/zinc/49/29/76/573492976.db2.gz FQNXCQGSWUCRNZ-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN C[C@@H]1CC(=O)CC2=C1CCCC2 238408350 573493044 /nfs/dbraw/zinc/49/30/44/573493044.db2.gz IQNRVLRZRWNQHL-MRVPVSSYSA-N 0 0 164.248 2.856 10 0 AFAERN COc1cc(SC)ccc1C(C)=O 34092665 572055154 /nfs/dbraw/zinc/05/51/54/572055154.db2.gz ALJXTLQDUCCTJV-UHFFFAOYSA-N 0 0 196.271 2.620 10 0 AFAERN CC(C)=C1C=C[C@H]2[C@H]1C(=O)C2(C)C 196447608 572055166 /nfs/dbraw/zinc/05/51/66/572055166.db2.gz FDHLOXYZRZDXFU-UWVGGRQHSA-N 0 0 176.259 2.734 10 0 AFAERN Oc1cnccc1C1CCCCC1 34091510 572055181 /nfs/dbraw/zinc/05/51/81/572055181.db2.gz MPZJWZBXSRJSRW-UHFFFAOYSA-N 0 0 177.247 2.835 10 0 AFAERN C[C@@H]1C(=O)CCC12CCCCC2 196452443 572055206 /nfs/dbraw/zinc/05/52/06/572055206.db2.gz SAXLSNUMYXRMFO-SECBINFHSA-N 0 0 166.264 2.936 10 0 AFAERN COc1cccc2c1C(C)(C)CCN2 219755686 572055219 /nfs/dbraw/zinc/05/52/19/572055219.db2.gz YBBCRKXBGDMNNS-UHFFFAOYSA-N 0 0 191.274 2.788 10 0 AFAERN c1ccc2c(c1)NCCCCS2 34123674 572058448 /nfs/dbraw/zinc/05/84/48/572058448.db2.gz UKUULLPPTKMVHI-UHFFFAOYSA-N 0 0 179.288 2.984 10 0 AFAERN CCOc1ccc(C(C)=O)c(CC)c1 71463330 572058459 /nfs/dbraw/zinc/05/84/59/572058459.db2.gz SMRVQWBSMVMKHD-UHFFFAOYSA-N 0 0 192.258 2.850 10 0 AFAERN CCCc1cc(=O)oc2ccccc12 34137319 572058462 /nfs/dbraw/zinc/05/84/62/572058462.db2.gz COUVZUUYPFPAPD-UHFFFAOYSA-N 0 0 188.226 2.746 10 0 AFAERN O=C1CCC[C@@H]1C1C=CCCC=C1 34139919 572058510 /nfs/dbraw/zinc/05/85/10/572058510.db2.gz GFTQSNBRVNDQLY-LLVKDONJSA-N 0 0 176.259 2.878 10 0 AFAERN CC/C=C(\C)[C@H](O)CCC 34122677 572058539 /nfs/dbraw/zinc/05/85/39/572058539.db2.gz RYIWDHRUNBWJCQ-BNICOGTQSA-N 0 0 142.242 2.504 10 0 AFAERN CC[C@@H](O)c1cc(C)cc(C)c1OC 71463607 572058577 /nfs/dbraw/zinc/05/85/77/572058577.db2.gz ORCOGHAMIIRJJG-LLVKDONJSA-N 0 0 194.274 2.755 10 0 AFAERN CCCCc1ccsc1C=O 34497556 572089492 /nfs/dbraw/zinc/08/94/92/572089492.db2.gz NQJJSJLPJFVZHC-UHFFFAOYSA-N 0 0 168.261 2.903 10 0 AFAERN CCCN(CC)c1ccc(C=O)cc1 37095242 572089620 /nfs/dbraw/zinc/08/96/20/572089620.db2.gz JTYNBGPMAFEMDZ-UHFFFAOYSA-N 0 0 191.274 2.735 10 0 AFAERN Cc1ccc([S@@](=N)(=O)C2CC2)cc1 16976412 572089661 /nfs/dbraw/zinc/08/96/61/572089661.db2.gz FTUYNBOEIDMTSP-CYBMUJFWSA-N 0 0 195.287 2.563 10 0 AFAERN CCc1cc(Cl)c(N)c(Cl)n1 34300923 572071847 /nfs/dbraw/zinc/07/18/47/572071847.db2.gz XIJPHECEUSXSQF-UHFFFAOYSA-N 0 0 191.061 2.533 10 0 AFAERN C=COC[C@@H](C)CCC 34301074 572071879 /nfs/dbraw/zinc/07/18/79/572071879.db2.gz RPKNYWBXKSZOPY-QMMMGPOBSA-N 0 0 128.215 2.583 10 0 AFAERN Cc1cccc2nccc(C)c12 34303657 572071897 /nfs/dbraw/zinc/07/18/97/572071897.db2.gz NIWLLLNGYWIOMY-UHFFFAOYSA-N 0 0 157.216 2.852 10 0 AFAERN CC(=O)c1occ(Cl)c1Cl 34303035 572071904 /nfs/dbraw/zinc/07/19/04/572071904.db2.gz ZBHXFNUCIJPHTD-UHFFFAOYSA-N 0 0 179.002 2.789 10 0 AFAERN COc1cc2sncc2cc1C 238408510 573493661 /nfs/dbraw/zinc/49/36/61/573493661.db2.gz AYTSLTHTSGJXBK-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CC[C@@H](C)NC(=O)C[C@@H](C)C(C)(C)C 82618874 572073422 /nfs/dbraw/zinc/07/34/22/572073422.db2.gz QKNFOMXNSXFMNS-NXEZZACHSA-N 0 0 199.338 2.973 10 0 AFAERN Cc1cc(C)c(/C=C/CON)c(C)c1 258689407 573493678 /nfs/dbraw/zinc/49/36/78/573493678.db2.gz WWHPOHCAJGSCMH-SNAWJCMRSA-N 0 0 191.274 2.515 10 0 AFAERN C[C@@H]1CC[C@@]2(CCCC(=O)C2)C1 34411368 572078399 /nfs/dbraw/zinc/07/83/99/572078399.db2.gz WQOFBWCAVMVJFK-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN O[C@H]1CC[C@H](c2cccc(Cl)c2)O1 34408587 572078412 /nfs/dbraw/zinc/07/84/12/572078412.db2.gz TUTNWSWLMMACFL-NXEZZACHSA-N 0 0 198.649 2.510 10 0 AFAERN COc1ccc(C=C(F)F)cc1 135699797 573493717 /nfs/dbraw/zinc/49/37/17/573493717.db2.gz TUSNPYTWRBGHSW-UHFFFAOYSA-N 0 0 170.158 2.933 10 0 AFAERN Cc1ccccc1C[C@H](O)CC(C)C 37465315 572129696 /nfs/dbraw/zinc/12/96/96/572129696.db2.gz XRQSLAIPCALHPV-CYBMUJFWSA-N 0 0 192.302 2.945 10 0 AFAERN O=Cc1cccc([C@H]2CC[C@@H]2CF)c1 259613581 573493757 /nfs/dbraw/zinc/49/37/57/573493757.db2.gz DTQCTSSJPFVXLU-VXGBXAGGSA-N 0 0 192.233 2.962 10 0 AFAERN O[C@@H](CC1CCCC1)C1=COCCC1 124482399 573493816 /nfs/dbraw/zinc/49/38/16/573493816.db2.gz MIOOKYFSQRXBQB-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1CCC[C@@H](Nc2cn[nH]c2)CC1 83427344 573493826 /nfs/dbraw/zinc/49/38/26/573493826.db2.gz DHODSHVAWRRHCV-NXEZZACHSA-N 0 0 193.294 2.790 10 0 AFAERN CCC(C)(C)CC1=C[C@@H](O)CC1 713211998 572092330 /nfs/dbraw/zinc/09/23/30/572092330.db2.gz SYQXGZOPHKREPC-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN COc1cc(C)c2ccc(O)cc2c1 34596866 572096917 /nfs/dbraw/zinc/09/69/17/572096917.db2.gz SDVWYUVVISHNIY-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CC[C@H](C)N(C)c1ccccc1C=O 37110481 572096944 /nfs/dbraw/zinc/09/69/44/572096944.db2.gz QVXFGDHKBABCEM-JTQLQIEISA-N 0 0 191.274 2.734 10 0 AFAERN Cc1cccc2c1NCc1c-2n[nH]c1C 71485348 572111237 /nfs/dbraw/zinc/11/12/37/572111237.db2.gz YXIOZUPRHUFGPR-UHFFFAOYSA-N 0 0 199.257 2.619 10 0 AFAERN CC[C@@H](Nc1ccn(CC)n1)C(C)C 300939935 572111252 /nfs/dbraw/zinc/11/12/52/572111252.db2.gz XPOVGQMDCBPSAM-SNVBAGLBSA-N 0 0 195.310 2.750 10 0 AFAERN CCCC[C@@H](C)c1onc(N)c1C 300939869 572111274 /nfs/dbraw/zinc/11/12/74/572111274.db2.gz NQMGNBFNNFUTRK-SSDOTTSWSA-N 0 0 182.267 2.859 10 0 AFAERN CC(C)C[C@@H](C)C[C@@H](O)C(F)F 300940111 572111276 /nfs/dbraw/zinc/11/12/76/572111276.db2.gz OQNULQNTJNOEOS-HTQZYQBOSA-N 0 0 180.238 2.685 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](O)C(F)F 300940113 572111285 /nfs/dbraw/zinc/11/12/85/572111285.db2.gz OQNULQNTJNOEOS-JGVFFNPUSA-N 0 0 180.238 2.685 10 0 AFAERN C/C=C(\[C@H](C)O)C(C)(C)CC 17605561 572111576 /nfs/dbraw/zinc/11/15/76/572111576.db2.gz RKOOCZDIVDRXEQ-CYXIBPNKSA-N 0 0 156.269 2.750 10 0 AFAERN C/C=C/C(=O)N(CC)C1CCCCC1 82778190 572111608 /nfs/dbraw/zinc/11/16/08/572111608.db2.gz FOQHUQVLUPQJFN-FPYGCLRLSA-N 0 0 195.306 2.744 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)Cc1ccco1 300939185 572111614 /nfs/dbraw/zinc/11/16/14/572111614.db2.gz OOQNXSXWSOANSR-CMPLNLGQSA-N 0 0 196.290 2.865 10 0 AFAERN CC(C)[C@H](C)[N@H+](C)CC(=O)C(C)(C)C 37339076 572111623 /nfs/dbraw/zinc/11/16/23/572111623.db2.gz ZMESGIBGUNEVRD-JTQLQIEISA-N 0 0 199.338 2.578 10 0 AFAERN CC[C@H](Nc1ccn(CC)n1)C(C)C 300939934 572111668 /nfs/dbraw/zinc/11/16/68/572111668.db2.gz XPOVGQMDCBPSAM-JTQLQIEISA-N 0 0 195.310 2.750 10 0 AFAERN CC(C)[C@@H](C)[N@H+](C)CC(=O)C(C)(C)C 37339075 572111678 /nfs/dbraw/zinc/11/16/78/572111678.db2.gz ZMESGIBGUNEVRD-SNVBAGLBSA-N 0 0 199.338 2.578 10 0 AFAERN CC(C)=CCCC(C)(C)CO 17642191 572111721 /nfs/dbraw/zinc/11/17/21/572111721.db2.gz CYIABCYVYNFVCB-UHFFFAOYSA-N 0 0 156.269 2.751 10 0 AFAERN CCCC[C@@H](C)[C@@H](C=C(C)C)NN 300939705 572111784 /nfs/dbraw/zinc/11/17/84/572111784.db2.gz NPTSRECTSWVTDY-GHMZBOCLSA-N 0 0 184.327 2.611 10 0 AFAERN CNc1nc(C)c(-c2ccccc2)o1 258689564 573493901 /nfs/dbraw/zinc/49/39/01/573493901.db2.gz WYWMJVGOQZPRNY-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN O=Cc1ccc2c(c1F)CCCC2 258041850 573495282 /nfs/dbraw/zinc/49/52/82/573495282.db2.gz QFZQXBHJFBLOJA-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN CNc1nc(-c2ccc(C)cc2)co1 258694069 573495236 /nfs/dbraw/zinc/49/52/36/573495236.db2.gz XIBVWYRGKFVVRK-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CC(=O)c1coc(C2CCCC2)n1 258044149 573495245 /nfs/dbraw/zinc/49/52/45/573495245.db2.gz KNDURJUEHZMYDM-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN Cc1ccccc1-c1c(C)ccnc1N 69942702 572161235 /nfs/dbraw/zinc/16/12/35/572161235.db2.gz SNLBMZSVMRFRPK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCc1ccccc1O[C@H](C)COC 82865318 572161238 /nfs/dbraw/zinc/16/12/38/572161238.db2.gz UWQVKAIIPWUGON-SNVBAGLBSA-N 0 0 194.274 2.663 10 0 AFAERN Cc1cccc(-c2c(C)ccnc2N)c1 69942629 572161269 /nfs/dbraw/zinc/16/12/69/572161269.db2.gz TXOGJGFRNXJVIX-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCc1cccc(O[C@@H](C)COC)c1 82865297 572161285 /nfs/dbraw/zinc/16/12/85/572161285.db2.gz CFHMQYOJVYMAMQ-JTQLQIEISA-N 0 0 194.274 2.663 10 0 AFAERN CCC(=O)[C@H](C)Oc1ccccc1F 82948447 572181386 /nfs/dbraw/zinc/18/13/86/572181386.db2.gz COOAONYGNOPORC-QMMMGPOBSA-N 0 0 196.221 2.572 10 0 AFAERN CCC(=O)[C@H](C)OC(C)(C)CC 82948530 572181394 /nfs/dbraw/zinc/18/13/94/572181394.db2.gz GUPYLTHXCWNSOW-QMMMGPOBSA-N 0 0 172.268 2.559 10 0 AFAERN CCCCCO[C@@H](C)C(=O)CC 82948572 572181407 /nfs/dbraw/zinc/18/14/07/572181407.db2.gz ZRFVFGHRBDRXIV-VIFPVBQESA-N 0 0 172.268 2.561 10 0 AFAERN C/C(=C\Cc1ccccc1)[C@@H](C)O 35923590 572187273 /nfs/dbraw/zinc/18/72/73/572187273.db2.gz MUDFTHYDIDIECT-RJCSOLBVSA-N 0 0 176.259 2.556 10 0 AFAERN Nc1cnc(C2CCC2)c(Cl)c1 257821412 573495272 /nfs/dbraw/zinc/49/52/72/573495272.db2.gz FZZINPGWMZDZPP-UHFFFAOYSA-N 0 0 182.654 2.585 10 0 AFAERN COCCCNc1ccc(F)cc1C 37753725 572187318 /nfs/dbraw/zinc/18/73/18/572187318.db2.gz KTVWCXJGKURXDG-UHFFFAOYSA-N 0 0 197.253 2.583 10 0 AFAERN O=C(CCC(F)(F)F)C1CCC1 83120329 572187335 /nfs/dbraw/zinc/18/73/35/572187335.db2.gz BJCMZHSQPWYRME-UHFFFAOYSA-N 0 0 180.169 2.698 10 0 AFAERN CC(C)(C)CCCNN1CCCCC1 300965500 572187350 /nfs/dbraw/zinc/18/73/50/572187350.db2.gz YZQXZTRODQDZRV-UHFFFAOYSA-N 0 0 198.354 2.803 10 0 AFAERN Cc1ccccc1[C@H]1CC[C@H](O)[C@@H]1C 83036510 572187413 /nfs/dbraw/zinc/18/74/13/572187413.db2.gz CMBMCGYSRCRVGB-WXHSDQCUSA-N 0 0 190.286 2.869 10 0 AFAERN C[C@H]1CC[C@@H](Nc2nccs2)[C@@H]1C 83045560 572189956 /nfs/dbraw/zinc/18/99/56/572189956.db2.gz RJVFQGBYBVYJMU-DJLDLDEBSA-N 0 0 196.319 2.990 10 0 AFAERN Cc1ccc(O)cc1C(F)F 196605168 572343425 /nfs/dbraw/zinc/34/34/25/572343425.db2.gz FOBCKUZRAQFILW-UHFFFAOYSA-N 0 0 158.147 2.638 10 0 AFAERN Nc1sccc1-c1ccccc1O 258046908 573498189 /nfs/dbraw/zinc/49/81/89/573498189.db2.gz FBECNEKAHVMECK-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN CCOC(=O)/C=C/C1C(C)(C)C1(C)C 308393748 573498301 /nfs/dbraw/zinc/49/83/01/573498301.db2.gz MZVFRZZAQGMSEH-BQYQJAHWSA-N 0 0 196.290 2.788 10 0 AFAERN CC(=O)N[C@H]1[C@H](C)CC(C)(C)C1(C)C 238418676 573499176 /nfs/dbraw/zinc/49/91/76/573499176.db2.gz QOUZVWZEHLRFTC-SCZZXKLOSA-N 0 0 197.322 2.583 10 0 AFAERN CSCCCC[C@@H](O)C(C)(C)C 130264814 573499239 /nfs/dbraw/zinc/49/92/39/573499239.db2.gz ROZDNOIHJZHRSG-SECBINFHSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](C)CN2 19948124 572208193 /nfs/dbraw/zinc/20/81/93/572208193.db2.gz LPEIXDNYNGXJNG-SECBINFHSA-N 0 0 161.248 2.832 10 0 AFAERN Cc1ccc(C[C@H](C)[C@H](C)O)cc1C 43658776 572208219 /nfs/dbraw/zinc/20/82/19/572208219.db2.gz RWXUXDSDYIZFKH-RYUDHWBXSA-N 0 0 192.302 2.863 10 0 AFAERN CCCCC[C@@H](C)[C@H](C)O 43658601 572208222 /nfs/dbraw/zinc/20/82/22/572208222.db2.gz WQADSKJNOTZWML-BDAKNGLRSA-N 0 0 144.258 2.584 10 0 AFAERN CCCC(C)(C)n1cccc1C=O 126321256 573499280 /nfs/dbraw/zinc/49/92/80/573499280.db2.gz STOVVQUXMKQOGB-UHFFFAOYSA-N 0 0 179.263 2.836 10 0 AFAERN CCC=C=C[C@H](CC)[C@H](O)CC 238216875 572343318 /nfs/dbraw/zinc/34/33/18/572343318.db2.gz WLKOCVPXPFLXBU-JCBFREDQSA-N 0 0 168.280 2.905 10 0 AFAERN C=C/C=C/C[C@H](O)/C(C)=C\CC 238215950 572343345 /nfs/dbraw/zinc/34/33/45/572343345.db2.gz JWQYDQNMHYITMJ-SMGQCRDYSA-N 0 0 166.264 2.836 10 0 AFAERN CCCCCCOC(=O)[C@@H]1C[C@H]1C 308398535 573499398 /nfs/dbraw/zinc/49/93/98/573499398.db2.gz FWMNBKPKJDFWAA-NXEZZACHSA-N 0 0 184.279 2.766 10 0 AFAERN CC1=CC[C@@]2(C)CCC[C@@H]1C2=O 196605731 572343371 /nfs/dbraw/zinc/34/33/71/572343371.db2.gz KABLDANHJOBSIW-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN C/C=C\[C@H](CC)CC(C)=O 206722549 572379741 /nfs/dbraw/zinc/37/97/41/572379741.db2.gz PZRZEMPOAOYRPC-RNEXMXFGSA-N 0 0 140.226 2.568 10 0 AFAERN CCCN(C)c1cccc(NC)c1 259108865 573504823 /nfs/dbraw/zinc/50/48/23/573504823.db2.gz BBWAZVXBZKKSBA-UHFFFAOYSA-N 0 0 178.279 2.575 10 0 AFAERN CN(C)[C@H](C(C)(C)C)C(F)(F)F 259110336 573504857 /nfs/dbraw/zinc/50/48/57/573504857.db2.gz HWNRKXXMWTXBNM-ZCFIWIBFSA-N 0 0 183.217 2.525 10 0 AFAERN CCSCC[C@@H]1CCCC[C@@H]1O 130268548 573506161 /nfs/dbraw/zinc/50/61/61/573506161.db2.gz UHKKOXBAMHQKJE-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN COCCCC(=O)c1sccc1C 87021311 572345536 /nfs/dbraw/zinc/34/55/36/572345536.db2.gz VWGCETPHWLOMEO-UHFFFAOYSA-N 0 0 198.287 2.666 10 0 AFAERN CCC/C=C/[C@H](O)c1nc(C)cs1 238217891 572345540 /nfs/dbraw/zinc/34/55/40/572345540.db2.gz OORGZUGJZDLBDK-CYNONHLPSA-N 0 0 197.303 2.841 10 0 AFAERN C[C@H](O)CCc1cccc(C2CC2)c1 87014037 572346757 /nfs/dbraw/zinc/34/67/57/572346757.db2.gz BLXDESSAUIWSLH-JTQLQIEISA-N 0 0 190.286 2.877 10 0 AFAERN CC(C)c1cccc(C2(O)CC2)c1 258050489 573506202 /nfs/dbraw/zinc/50/62/02/573506202.db2.gz RHAQAMMMEGQYAU-UHFFFAOYSA-N 0 0 176.259 2.791 10 0 AFAERN CCC/C=C/C(C)=C/[C@H](C)CO 307989758 572346776 /nfs/dbraw/zinc/34/67/76/572346776.db2.gz VWKYUJVTIFJOEB-LMIDHTKZSA-N 0 0 168.280 2.917 10 0 AFAERN CC(=O)[C@@H](C)c1oc(C)cc1C 238419673 573506214 /nfs/dbraw/zinc/50/62/14/573506214.db2.gz IALIIZBAMPJDAE-MRVPVSSYSA-N 0 0 166.220 2.589 10 0 AFAERN CC(C)C[C@@H](C)[C@@](C)(O)C1CC1 308005445 572379723 /nfs/dbraw/zinc/37/97/23/572379723.db2.gz LJQYDIDFKHUJTJ-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)C(=O)CCc1cccc(O)c1 87178651 572387244 /nfs/dbraw/zinc/38/72/44/572387244.db2.gz LDZCFYRLKRLSRM-UHFFFAOYSA-N 0 0 192.258 2.550 10 0 AFAERN CCCCNC(=O)CCC=C(C)C 238226216 572387291 /nfs/dbraw/zinc/38/72/91/572387291.db2.gz KKMHNWPBBUQPSQ-UHFFFAOYSA-N 0 0 183.295 2.649 10 0 AFAERN CCC[C@](C)(CO)[C@H](C)CC 87176103 572387292 /nfs/dbraw/zinc/38/72/92/572387292.db2.gz RDMWUOZPVXZMQM-NXEZZACHSA-N 0 0 158.285 2.831 10 0 AFAERN CC1(C)[C@@H]2CC[C@]13CC(=S)N[C@@H]3C2 238226411 572387311 /nfs/dbraw/zinc/38/73/11/572387311.db2.gz BZVVRSFMTXEWRQ-SOCHQFKDSA-N 0 0 195.331 2.502 10 0 AFAERN C[C@@]12CC=C[C@H]1CCCCC2=O 238420033 573506440 /nfs/dbraw/zinc/50/64/40/573506440.db2.gz XTJLTIHBTXIKDD-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CCO/C=C/C(=O)c1csc(C)c1 381397482 573506515 /nfs/dbraw/zinc/50/65/15/573506515.db2.gz UJNOYMQRIKXALH-SNAWJCMRSA-N 0 0 196.271 2.789 10 0 AFAERN CCC(CC)[C@@H](CC)[C@H](C)O 87171613 572395221 /nfs/dbraw/zinc/39/52/21/572395221.db2.gz FIYKLUKCXGSREW-WPRPVWTQSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)C[C@H](O)C1CC1 87171704 572395236 /nfs/dbraw/zinc/39/52/36/572395236.db2.gz JVZJMNCIKYDAQZ-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CCC(CC)[C@@H](O)c1cc(C)ccn1 87169517 572395988 /nfs/dbraw/zinc/39/59/88/572395988.db2.gz KECLDTVXKAXSQK-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CCCCC(=O)[C@]12CC=C[C@H]1[C@@H]2C 238229268 572395992 /nfs/dbraw/zinc/39/59/92/572395992.db2.gz GALIQVCXQUXMDE-NHCYSSNCSA-N 0 0 178.275 2.958 10 0 AFAERN CCC[C@@H](C=C=CC(C)C)CO 238229803 572396010 /nfs/dbraw/zinc/39/60/10/572396010.db2.gz WEPNGWGCKINKDJ-ZOHDFZEYSA-N 0 0 168.280 2.762 10 0 AFAERN CCC(CC)[C@H](O)c1ccccc1N 87169529 572396199 /nfs/dbraw/zinc/39/61/99/572396199.db2.gz GZQDDHIAEPICAX-LBPRGKRZSA-N 0 0 193.290 2.738 10 0 AFAERN CCC(CC)C[C@@H](O)[C@H]1CCCC1=O 238228822 572396216 /nfs/dbraw/zinc/39/62/16/572396216.db2.gz QBEOWXNFZHZAHP-CMPLNLGQSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)Nc1ccc2ocnc2c1 76601361 572396267 /nfs/dbraw/zinc/39/62/67/572396267.db2.gz CZXHUJPJRIYMOO-UHFFFAOYSA-N 0 0 176.219 2.648 10 0 AFAERN CCSCCC[C@@H](C)[C@@H](C)O 130273618 573507264 /nfs/dbraw/zinc/50/72/64/573507264.db2.gz BLXBLVHYHUVFPP-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)CCc1ccccc1 83807323 572418757 /nfs/dbraw/zinc/41/87/57/572418757.db2.gz IVVXUQUABIRSAW-KGYLQXTDSA-N 0 0 190.286 2.636 10 0 AFAERN C[C@@]12CC=C[C@@H]1CCCCC2=O 238419776 573507347 /nfs/dbraw/zinc/50/73/47/573507347.db2.gz XTJLTIHBTXIKDD-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc([C@@H](O)C2CCC2)cs1 83450748 573511962 /nfs/dbraw/zinc/51/19/62/573511962.db2.gz CDJRABWKTJTYOW-JTQLQIEISA-N 0 0 182.288 2.890 10 0 AFAERN CCCCCO[C@@H]1C=CC[C@@H]1CCO 308610777 573511972 /nfs/dbraw/zinc/51/19/72/573511972.db2.gz YEUDUZYCJJMRRM-VXGBXAGGSA-N 0 0 198.306 2.520 10 0 AFAERN C[C@H](O)C1CCc2ccccc2CC1 238423233 573511990 /nfs/dbraw/zinc/51/19/90/573511990.db2.gz FWSIXVZNLHTKNG-JTQLQIEISA-N 0 0 190.286 2.562 10 0 AFAERN CCOc1cccc(C(=N)SC)c1 258720368 573512044 /nfs/dbraw/zinc/51/20/44/573512044.db2.gz ZNJIYRZVAFNFOB-UHFFFAOYSA-N 0 0 195.287 2.774 10 0 AFAERN C[C@@H]1CCC[C@H]2NC(=S)CC[C@@H]12 238422810 573512057 /nfs/dbraw/zinc/51/20/57/573512057.db2.gz XBZTVBWOFOUOIH-HRDYMLBCSA-N 0 0 183.320 2.502 10 0 AFAERN Nc1ncc(CCC2CCCCC2)o1 258730544 573512100 /nfs/dbraw/zinc/51/21/00/573512100.db2.gz IUUHFYNDEGSVEF-UHFFFAOYSA-N 0 0 194.278 2.770 10 0 AFAERN CC[C@](O)(c1ccsc1)C1CC1 83448936 573512121 /nfs/dbraw/zinc/51/21/21/573512121.db2.gz GLPRNIYEXNJFJN-SNVBAGLBSA-N 0 0 182.288 2.756 10 0 AFAERN CC1([C@](C)(O)CCC(F)(F)F)CC1 87365711 572431621 /nfs/dbraw/zinc/43/16/21/572431621.db2.gz CKTHBJSLYPZCGF-MRVPVSSYSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1cccc(C)c1N[C@H]1CCOC1 76635183 572431631 /nfs/dbraw/zinc/43/16/31/572431631.db2.gz IINCVWCVJRQDLZ-NSHDSACASA-N 0 0 191.274 2.504 10 0 AFAERN Cc1cc([C@@H](O)c2ccco2)cs1 83447826 573512181 /nfs/dbraw/zinc/51/21/81/573512181.db2.gz MADWFHCQRHXGQZ-SNVBAGLBSA-N 0 0 194.255 2.731 10 0 AFAERN c1scc2c1NC[C@@H]1CCCCN21 76636201 572437355 /nfs/dbraw/zinc/43/73/55/572437355.db2.gz VMKZBBKYZKJRCB-QMMMGPOBSA-N 0 0 194.303 2.533 10 0 AFAERN Cc1cc([C@H](O)c2ccco2)cs1 83447824 573512199 /nfs/dbraw/zinc/51/21/99/573512199.db2.gz MADWFHCQRHXGQZ-JTQLQIEISA-N 0 0 194.255 2.731 10 0 AFAERN CCCNC(=O)S[C@H](C)CC 238240008 572441254 /nfs/dbraw/zinc/44/12/54/572441254.db2.gz OYLXIYFDRQCIHK-SSDOTTSWSA-N 0 0 175.297 2.638 10 0 AFAERN CCOC(=O)N[C@H](C)C[C@@H](C)CC 83868457 572441274 /nfs/dbraw/zinc/44/12/74/572441274.db2.gz FMGUTBSWLFXYLE-DTWKUNHWSA-N 0 0 187.283 2.557 10 0 AFAERN Cc1cc(C(=O)c2ccoc2)cs1 83450208 573512276 /nfs/dbraw/zinc/51/22/76/573512276.db2.gz HCQMRXNKYJKGPA-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN CCCCCO[C@H]1C=CC[C@H]1CCO 308610775 573512294 /nfs/dbraw/zinc/51/22/94/573512294.db2.gz YEUDUZYCJJMRRM-RYUDHWBXSA-N 0 0 198.306 2.520 10 0 AFAERN Cc1c(O)ccc2c1CCC(C)(C)O2 141378799 572483408 /nfs/dbraw/zinc/48/34/08/572483408.db2.gz XCGAKBRVAMGSRC-UHFFFAOYSA-N 0 0 192.258 2.804 10 0 AFAERN C=C=C[C@@H](O)c1ccc(SC)cc1 238421963 573512327 /nfs/dbraw/zinc/51/23/27/573512327.db2.gz KEAQQQGWIZQFRP-LLVKDONJSA-N 0 0 192.283 2.783 10 0 AFAERN C=C=C(C)[C@@H](O)[C@@H](C)c1ccccc1 238422271 573512370 /nfs/dbraw/zinc/51/23/70/573512370.db2.gz APKYZPBYIBIIER-WCQYABFASA-N 0 0 188.270 2.882 10 0 AFAERN C[C@H]1CC[C@@](O)(c2ccsc2)C1 83448770 573512416 /nfs/dbraw/zinc/51/24/16/573512416.db2.gz IIAZTTDTTLTPQB-WPRPVWTQSA-N 0 0 182.288 2.756 10 0 AFAERN C[C@@H](O)C/C=C1/CC12CCCC2 238422700 573512444 /nfs/dbraw/zinc/51/24/44/573512444.db2.gz PAXPBSSHJDODKI-JRZFIGEHSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cc([C@H](O)C(C)C)cs1 83447966 573512451 /nfs/dbraw/zinc/51/24/51/573512451.db2.gz RUWDWOSVUZHJHI-SECBINFHSA-N 0 0 170.277 2.746 10 0 AFAERN Cc1cc([C@H](O)C(F)(F)F)cs1 83450618 573512459 /nfs/dbraw/zinc/51/24/59/573512459.db2.gz SCZGJCCRJQQPAT-LURJTMIESA-N 0 0 196.193 2.652 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ccsc1 83448171 573512497 /nfs/dbraw/zinc/51/24/97/573512497.db2.gz IEXWPEMEKRNUNT-VXNVDRBHSA-N 0 0 170.277 2.828 10 0 AFAERN O=C(CC(F)(F)F)c1ccsc1 83450047 573512539 /nfs/dbraw/zinc/51/25/39/573512539.db2.gz CIEBYOZNYZDUSF-UHFFFAOYSA-N 0 0 194.177 2.883 10 0 AFAERN C[C@@H](O)C1(C)CCC(C)(C)CC1 238423036 573512589 /nfs/dbraw/zinc/51/25/89/573512589.db2.gz HGJKOSAIMIBNNG-SECBINFHSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H]1CCC[C@@]2(CC1)CC(=O)N2 83438442 573512603 /nfs/dbraw/zinc/51/26/03/573512603.db2.gz RNIMFEZXNIDOIL-ZYHUDNBSSA-N 0 0 195.306 2.626 10 0 AFAERN C=C/C=C\CC[C@H](O)[C@@H]1CCCS1 713717587 572504685 /nfs/dbraw/zinc/50/46/85/572504685.db2.gz FWWBZAVPZNJMEZ-WZQADMAKSA-N 0 0 198.331 2.765 10 0 AFAERN Cc1ccc(/C=C/C(=O)OC(C)C)o1 84147776 572505457 /nfs/dbraw/zinc/50/54/57/572505457.db2.gz SNUVMUBZDANHDE-VOTSOKGWSA-N 0 0 194.230 2.553 10 0 AFAERN Cc1cc(-c2ccsc2C=O)on1 74248352 572505459 /nfs/dbraw/zinc/50/54/59/572505459.db2.gz HONHRFQJGPQUIX-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CCCOC(=O)/C=C/c1ccc(C)o1 84147780 572505525 /nfs/dbraw/zinc/50/55/25/572505525.db2.gz GNBAJYUPFOWSDK-VOTSOKGWSA-N 0 0 194.230 2.554 10 0 AFAERN Cc1ccc(-c2sccc2N)cn1 74273931 572532773 /nfs/dbraw/zinc/53/27/73/572532773.db2.gz HKEMPJAHHBRRBU-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC1(C)C[C@@H]1Nc1ccc(F)cc1N 45117682 572507237 /nfs/dbraw/zinc/50/72/37/572507237.db2.gz WGHNZNMMNJUMDE-JTQLQIEISA-N 0 0 194.253 2.618 10 0 AFAERN Nc1cscc1Cc1ccccc1 74275501 572521416 /nfs/dbraw/zinc/52/14/16/572521416.db2.gz FGPQDUXJOLMYAD-UHFFFAOYSA-N 0 0 189.283 2.921 10 0 AFAERN Cc1cccc2sc([C@H](C)O)nc12 45237554 572521425 /nfs/dbraw/zinc/52/14/25/572521425.db2.gz XNPARMCDUJFLGJ-ZETCQYMHSA-N 0 0 193.271 2.658 10 0 AFAERN Cc1nc2cc(F)cc(Cl)c2n1C 45238583 572521667 /nfs/dbraw/zinc/52/16/67/572521667.db2.gz UJDQNLBNEXKADP-UHFFFAOYSA-N 0 0 198.628 2.674 10 0 AFAERN CCc1c(OC)cccc1[C@H](O)CC 238284477 572521676 /nfs/dbraw/zinc/52/16/76/572521676.db2.gz GSDNLLLELADKDV-LLVKDONJSA-N 0 0 194.274 2.701 10 0 AFAERN CC[C@H](C)C(=O)Cc1csc(C)n1 84273343 572524419 /nfs/dbraw/zinc/52/44/19/572524419.db2.gz UXHMGVOVZGNBHZ-ZETCQYMHSA-N 0 0 197.303 2.609 10 0 AFAERN CC(=O)CCNc1cccc(Cl)c1 258719714 573513781 /nfs/dbraw/zinc/51/37/81/573513781.db2.gz UDFQFEMWBFNYPJ-UHFFFAOYSA-N 0 0 197.665 2.731 10 0 AFAERN CC(C)[C@H](CCO)c1ccc(O)cc1 258050603 573513837 /nfs/dbraw/zinc/51/38/37/573513837.db2.gz JZZHCISDKCNDQR-LBPRGKRZSA-N 0 0 194.274 2.514 10 0 AFAERN O=C1CC[C@H](c2ccsc2)C1 83453382 573513838 /nfs/dbraw/zinc/51/38/38/573513838.db2.gz FJYBIAWNNJGQDB-ZETCQYMHSA-N 0 0 166.245 2.585 10 0 AFAERN O[C@@H]1CCC[C@@H](c2ccsc2)C1 83454084 573513890 /nfs/dbraw/zinc/51/38/90/573513890.db2.gz ZOBGCFGOWOSWCK-PSASIEDQSA-N 0 0 182.288 2.767 10 0 AFAERN CCCCCO[C@@H]1C=CC[C@H]1CCO 308610773 573513891 /nfs/dbraw/zinc/51/38/91/573513891.db2.gz YEUDUZYCJJMRRM-NWDGAFQWSA-N 0 0 198.306 2.520 10 0 AFAERN C/C=C\COc1ccccc1C(C)=O 90628944 572535666 /nfs/dbraw/zinc/53/56/66/572535666.db2.gz OKMTUYOYXFZNTH-ARJAWSKDSA-N 0 0 190.242 2.844 10 0 AFAERN CC[C@H](CC(C)C)[C@H](C)CO 238294138 572535740 /nfs/dbraw/zinc/53/57/40/572535740.db2.gz DYBPJNWUGQDDHV-NXEZZACHSA-N 0 0 158.285 2.687 10 0 AFAERN C[NH2+][C@@H](c1ccoc1Cl)C(C)C 234462652 572535783 /nfs/dbraw/zinc/53/57/83/572535783.db2.gz VYPDCSRENOLOQO-MRVPVSSYSA-N 0 0 187.670 2.850 10 0 AFAERN Nc1ccc2[nH]c(C3CC3)cc2c1F 74274492 572537075 /nfs/dbraw/zinc/53/70/75/572537075.db2.gz TTZUYHXEJIXLJL-UHFFFAOYSA-N 0 0 190.221 2.767 10 0 AFAERN O=C1CC[C@@H](c2ccsc2)C1 83453379 573513951 /nfs/dbraw/zinc/51/39/51/573513951.db2.gz FJYBIAWNNJGQDB-SSDOTTSWSA-N 0 0 166.245 2.585 10 0 AFAERN CCCn1[nH]c(CC(C)C)cc1=S 87525131 572537257 /nfs/dbraw/zinc/53/72/57/572537257.db2.gz ZUGFYIISKWAYJE-UHFFFAOYSA-N 0 0 198.335 2.780 10 0 AFAERN CCSCC[C@@H](C(C)C)[C@@H](C)O 130302838 573513970 /nfs/dbraw/zinc/51/39/70/573513970.db2.gz NEGNALHLQZVBJD-ZJUUUORDSA-N 0 0 190.352 2.783 10 0 AFAERN C[C@@H](O)C/C=C/C1CCCCC1 238422472 573514082 /nfs/dbraw/zinc/51/40/82/573514082.db2.gz LZVRDIRYEWDPSW-NAZIUFLLSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H](CC1=CCCC1)[C@@H](C)CO 238377407 572637124 /nfs/dbraw/zinc/63/71/24/572637124.db2.gz RETUCWMMRVSBKB-UWVGGRQHSA-N 0 0 168.280 2.751 10 0 AFAERN Nc1cc(O)ccc1CC1CCCC1 257826820 573523511 /nfs/dbraw/zinc/52/35/11/573523511.db2.gz HRNUHVLPWFRMKN-UHFFFAOYSA-N 0 0 191.274 2.707 10 0 AFAERN CC12CCCC(C)(CCC1)C2O 222700063 573523543 /nfs/dbraw/zinc/52/35/43/573523543.db2.gz RPXYIVQALHAEDD-UHFFFAOYSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H](C)OC(=O)N1CCC(C)CC1 145400852 573530570 /nfs/dbraw/zinc/53/05/70/573530570.db2.gz RSHLOHBSAYXFOU-SNVBAGLBSA-N 0 0 199.294 2.653 10 0 AFAERN C[C@H](CC1CC1)NC(=O)OC(C)(C)C 78571107 573530571 /nfs/dbraw/zinc/53/05/71/573530571.db2.gz XCJNVDSXRCBWRD-MRVPVSSYSA-N 0 0 199.294 2.700 10 0 AFAERN CC[C@]1(c2ccco2)CCCC[NH2+]1 258059064 573530587 /nfs/dbraw/zinc/53/05/87/573530587.db2.gz DRIRFQQVNJYDFZ-LLVKDONJSA-N 0 0 179.263 2.658 10 0 AFAERN CCCCOC(=O)N1CCC[C@H](C)C1 145397652 573530648 /nfs/dbraw/zinc/53/06/48/573530648.db2.gz WVZVAYABUSPSBM-JTQLQIEISA-N 0 0 199.294 2.655 10 0 AFAERN CC[C@H](C/C(C)=C\Cl)[C@@H](C)O 307864302 572663333 /nfs/dbraw/zinc/66/33/33/572663333.db2.gz FCRRFHNAZHMFKJ-IEKVDETDSA-N 0 0 176.687 2.926 10 0 AFAERN CC[C@H]1NC(=O)C[C@@]1(C)CCC(C)C 85136943 572676635 /nfs/dbraw/zinc/67/66/35/572676635.db2.gz SZLXYUAQGJIMQA-ZYHUDNBSSA-N 0 0 197.322 2.727 10 0 AFAERN CCc1ccc([C@@H](NC)C(F)F)cc1 87687400 572678104 /nfs/dbraw/zinc/67/81/04/572678104.db2.gz VKVRDIDLGUTDCN-SNVBAGLBSA-N 0 0 199.244 2.775 10 0 AFAERN CCCCCC[C@](C)(O)C(F)F 87687673 572678132 /nfs/dbraw/zinc/67/81/32/572678132.db2.gz HHQLTCIUFOLLRI-VIFPVBQESA-N 0 0 180.238 2.973 10 0 AFAERN CC[C@H](C)OC(=O)/C=C\C(C)C 117405742 572678175 /nfs/dbraw/zinc/67/81/75/572678175.db2.gz JDHTUHLKAZTIAL-NMTCXDENSA-N 0 0 170.252 2.540 10 0 AFAERN CC(=O)[C@]1(Cl)CC=CC[C@H]1C 238429729 573531534 /nfs/dbraw/zinc/53/15/34/573531534.db2.gz PVUWDSKGOAYBIS-APPZFPTMSA-N 0 0 172.655 2.539 10 0 AFAERN C[C@H](CO)C1=CCCC(C)(C)C1 238430169 573531560 /nfs/dbraw/zinc/53/15/60/573531560.db2.gz KYOHZPJYLLQMRK-SECBINFHSA-N 0 0 168.280 2.751 10 0 AFAERN CCCCC[C@H](O)Cc1ccco1 130400996 573531569 /nfs/dbraw/zinc/53/15/69/573531569.db2.gz OEWFTOCFLAIVDO-JTQLQIEISA-N 0 0 182.263 2.763 10 0 AFAERN CCC[C@H](C)CSC[C@@H](C)CO 85139446 572680603 /nfs/dbraw/zinc/68/06/03/572680603.db2.gz GEWYMVWJXJKCCD-UWVGGRQHSA-N 0 0 190.352 2.784 10 0 AFAERN CCC[NH2+]C1(C(F)F)CCCCC1 87689454 572680786 /nfs/dbraw/zinc/68/07/86/572680786.db2.gz IAOPXEZANGZLAL-UHFFFAOYSA-N 0 0 191.265 2.954 10 0 AFAERN COc1ccc(C)c2cc(C=O)oc12 257828424 573531635 /nfs/dbraw/zinc/53/16/35/573531635.db2.gz IHFHYJQIKDQMGK-UHFFFAOYSA-N 0 0 190.198 2.562 10 0 AFAERN CCC[NH2+][C@](C)(C(F)F)C1(C)CC1 87689304 572680834 /nfs/dbraw/zinc/68/08/34/572680834.db2.gz UDGVIAWISZHZQS-SNVBAGLBSA-N 0 0 191.265 2.810 10 0 AFAERN CC(C)[C@H](C)Nc1cc(Cl)ncn1 48631094 572680835 /nfs/dbraw/zinc/68/08/35/572680835.db2.gz JIAAULQCIMTHGS-ZETCQYMHSA-N 0 0 199.685 2.586 10 0 AFAERN CCC[NH2+][C@@]1(C(F)F)CC[C@H](C)C1 87689279 572680850 /nfs/dbraw/zinc/68/08/50/572680850.db2.gz XLCDWJOZWQDXLQ-WPRPVWTQSA-N 0 0 191.265 2.810 10 0 AFAERN CCC[NH2+][C@@]1(C(F)F)CCC[C@H]1C 87689420 572680866 /nfs/dbraw/zinc/68/08/66/572680866.db2.gz XSXRHSPVMBZYMA-SCZZXKLOSA-N 0 0 191.265 2.810 10 0 AFAERN CCC(C)(C)Nc1cc(Cl)ncn1 48631121 572680872 /nfs/dbraw/zinc/68/08/72/572680872.db2.gz KYDBJSIXOBADPC-UHFFFAOYSA-N 0 0 199.685 2.731 10 0 AFAERN Cc1nc(-c2ccc(O)cc2)c(C)o1 257828949 573531675 /nfs/dbraw/zinc/53/16/75/573531675.db2.gz IODQTPCLRGTKDW-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN Cc1cccc(C)c1CCCCO 126419643 573531693 /nfs/dbraw/zinc/53/16/93/573531693.db2.gz DTPPMMWFFSBHCB-UHFFFAOYSA-N 0 0 178.275 2.618 10 0 AFAERN CC(C)=CCC[C@H](C)[C@@H]1CNC(=O)C1 238419397 572700488 /nfs/dbraw/zinc/70/04/88/572700488.db2.gz HCRINAMQVWCLSO-QWRGUYRKSA-N 0 0 195.306 2.505 10 0 AFAERN OC1(Cc2ccsc2)CCCC1 83502786 573531927 /nfs/dbraw/zinc/53/19/27/573531927.db2.gz SOVUIJBNYFQFNP-UHFFFAOYSA-N 0 0 182.288 2.596 10 0 AFAERN CC(C)C(=O)CSC1CCCC1 83500398 573535354 /nfs/dbraw/zinc/53/53/54/573535354.db2.gz JUMPWSRWXCRZFY-UHFFFAOYSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)SC[C@@H](O)C(C)(C)C 83488816 573535425 /nfs/dbraw/zinc/53/54/25/573535425.db2.gz PHLZWGJQGQMOGQ-MRVPVSSYSA-N 0 0 176.325 2.535 10 0 AFAERN CC(C)CC[C@@](C)(O)C1CC1 83503433 573535440 /nfs/dbraw/zinc/53/54/40/573535440.db2.gz VIQQANBPJALZHF-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@](O)(CC1CCCC1)C1CC1 83503443 573535447 /nfs/dbraw/zinc/53/54/47/573535447.db2.gz RKALNQKBEHSION-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H](C)C[C@](C)(O)C1CC1 83503445 573535484 /nfs/dbraw/zinc/53/54/84/573535484.db2.gz IAYSXKICKWKSRJ-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H](O)c1ccc(C2CSC2)cc1 258053528 573535492 /nfs/dbraw/zinc/53/54/92/573535492.db2.gz KRQVCAWSWRIUAQ-MRVPVSSYSA-N 0 0 194.299 2.570 10 0 AFAERN C[C@@H]1CC=C[C@@]2(C)CCC(=O)C[C@@H]12 238430806 573535618 /nfs/dbraw/zinc/53/56/18/573535618.db2.gz QTNAOGHMICORTG-USWWRNFRSA-N 0 0 178.275 2.958 10 0 AFAERN CC1=C[C@@](C)([C@H](C)O)c2ccccc21 238430994 573535639 /nfs/dbraw/zinc/53/56/39/573535639.db2.gz LIVVLBPGPKOKPF-GWCFXTLKSA-N 0 0 188.270 2.742 10 0 AFAERN CCOC(=O)c1occc1C(C)(C)C 259492026 573535641 /nfs/dbraw/zinc/53/56/41/573535641.db2.gz SPYLWMXFXHNGPN-UHFFFAOYSA-N 0 0 196.246 2.754 10 0 AFAERN CC[C@H]1CCCC[C@H]1n1nccc1N 70568301 572703608 /nfs/dbraw/zinc/70/36/08/572703608.db2.gz KMBFCRMJUIZCDX-VHSXEESVSA-N 0 0 193.294 2.607 10 0 AFAERN OC1(Cc2cccs2)CCCC1 83502780 573535719 /nfs/dbraw/zinc/53/57/19/573535719.db2.gz OIARZEUETKXNRK-UHFFFAOYSA-N 0 0 182.288 2.596 10 0 AFAERN OC1(CC2CCCC2)CCCC1 83502793 573535722 /nfs/dbraw/zinc/53/57/22/573535722.db2.gz HTKOACPHPYQWCA-UHFFFAOYSA-N 0 0 168.280 2.872 10 0 AFAERN COc1ccc(C2CCCC2)cc1N 257828428 573535750 /nfs/dbraw/zinc/53/57/50/573535750.db2.gz IHGVMCZSNSEDPL-UHFFFAOYSA-N 0 0 191.274 2.935 10 0 AFAERN Cc1sc(-c2ccncc2)cc1N 77095805 572735996 /nfs/dbraw/zinc/73/59/96/572735996.db2.gz PPWYZQMVSVZCLL-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CNc1cccc(Cc2ccc[nH]2)c1 259104752 573535772 /nfs/dbraw/zinc/53/57/72/573535772.db2.gz KKLAZFXEEIEAQK-UHFFFAOYSA-N 0 0 186.258 2.647 10 0 AFAERN C=C=C(C)[C@H]1CC[C@H](C)CC1=O 238434033 573536184 /nfs/dbraw/zinc/53/61/84/573536184.db2.gz VZYFWJSPHYSCTO-WCBMZHEXSA-N 0 0 164.248 2.723 10 0 AFAERN Cc1cccc2c1CCC(=O)[C@@H]2C 238433908 573536205 /nfs/dbraw/zinc/53/62/05/573536205.db2.gz OQXOJPNTHYFOMY-SECBINFHSA-N 0 0 174.243 2.614 10 0 AFAERN CC(=O)c1cc(C)cc(O)c1Cl 258053785 573536206 /nfs/dbraw/zinc/53/62/06/573536206.db2.gz KXECRCKXVRESRD-UHFFFAOYSA-N 0 0 184.622 2.557 10 0 AFAERN CC(C)=C[C@@H](C)[C@@H](O)C(C)(C)C 238433778 573536441 /nfs/dbraw/zinc/53/64/41/573536441.db2.gz ICYADBFVSVVISZ-NXEZZACHSA-N 0 0 170.296 2.996 10 0 AFAERN Cc1cc(C(C)(C)CO)cc(C)c1C 258053625 573536454 /nfs/dbraw/zinc/53/64/54/573536454.db2.gz KTGSSAKULCJCTR-UHFFFAOYSA-N 0 0 192.302 2.882 10 0 AFAERN C[C@@H]1CC=C[C@]2(C)CCC(=O)C[C@@H]12 238431335 573536536 /nfs/dbraw/zinc/53/65/36/573536536.db2.gz QTNAOGHMICORTG-ADEWGFFLSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)=C[C@@H](C)/C=C(\C)CO 238433993 573536541 /nfs/dbraw/zinc/53/65/41/573536541.db2.gz RLZCEKMLXXIFTB-ZFZMKPAXSA-N 0 0 154.253 2.527 10 0 AFAERN CCSCCC[C@@H](C)[C@H](O)CC 130310231 573536650 /nfs/dbraw/zinc/53/66/50/573536650.db2.gz QAZAWXWTTBCRHE-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN C[C@H](F)Cc1cccc(C2(O)CC2)c1 258056186 573541556 /nfs/dbraw/zinc/54/15/56/573541556.db2.gz LAKDTGKGJUFGPF-VIFPVBQESA-N 0 0 194.249 2.569 10 0 AFAERN CC1=C(C)[C@H](C)[C@@H](C)/C1=C\CCO 238434628 573541560 /nfs/dbraw/zinc/54/15/60/573541560.db2.gz PYBNFRATVFNOTM-JUSCSTBVSA-N 0 0 180.291 2.917 10 0 AFAERN CNc1cccc(C(=O)C(C)(C)C)c1 259105475 573541597 /nfs/dbraw/zinc/54/15/97/573541597.db2.gz HJHAGCWCIALKMX-UHFFFAOYSA-N 0 0 191.274 2.957 10 0 AFAERN CC(C)(C)[C@H](CO)Cc1cccs1 162447139 573541633 /nfs/dbraw/zinc/54/16/33/573541633.db2.gz MFAYPKCYZYFBDS-VIFPVBQESA-N 0 0 198.331 2.945 10 0 AFAERN O=C1CCCC[C@@H]1CC[C@@H]1CCCO1 83527642 573541683 /nfs/dbraw/zinc/54/16/83/573541683.db2.gz OJSJLXHSPQVTCB-MNOVXSKESA-N 0 0 196.290 2.705 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 78597442 573541717 /nfs/dbraw/zinc/54/17/17/573541717.db2.gz ZRPZFZCZWMSSFS-KXUCPTDWSA-N 0 0 199.294 2.557 10 0 AFAERN Cc1ccc(O)c2c1[C@H](C)CCC2=O 238436045 573545591 /nfs/dbraw/zinc/54/55/91/573545591.db2.gz JDQZFFWULZYOIR-MRVPVSSYSA-N 0 0 190.242 2.781 10 0 AFAERN CSCC(=O)c1cc(F)ccc1C 55200648 572754365 /nfs/dbraw/zinc/75/43/65/572754365.db2.gz LTQSBQNWHHYRLZ-UHFFFAOYSA-N 0 0 198.262 2.680 10 0 AFAERN C[C@@H]1CCC(=O)[C@H]2CCCC[C@H]21 238435764 573545653 /nfs/dbraw/zinc/54/56/53/573545653.db2.gz XPNZWGQPLJXOIW-UTLUCORTSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H](CCO)c1ccc2[nH]ccc2c1 238436196 573545948 /nfs/dbraw/zinc/54/59/48/573545948.db2.gz VZLULJPILZKEJY-SECBINFHSA-N 0 0 189.258 2.654 10 0 AFAERN CCCc1ccccc1[C@H](F)C[NH2+]C 257824968 573545959 /nfs/dbraw/zinc/54/59/59/573545959.db2.gz GLPLIXAUEMOPBN-GFCCVEGCSA-N 0 0 195.281 2.869 10 0 AFAERN CC1CCC(C2=C[C@@H](O)CC2)CC1 83548727 573546012 /nfs/dbraw/zinc/54/60/12/573546012.db2.gz ABHVHTXRCZYKQX-CBINBANVSA-N 0 0 180.291 2.894 10 0 AFAERN CCCCCC1=C[C@@H](O)CC1 83548884 573546081 /nfs/dbraw/zinc/54/60/81/573546081.db2.gz NOSMLJPQZFIICZ-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cccc(-c2cccc(C=O)c2)n1 238523438 572757893 /nfs/dbraw/zinc/75/78/93/572757893.db2.gz OMZIPFMCKHWCKX-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCCCCCO[C@H]1CC(=O)C1(C)C 85505585 572757902 /nfs/dbraw/zinc/75/79/02/572757902.db2.gz VHJVYYIOEUMECL-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN CCC(C)(C)O[C@@H]1CC(=O)[C@]1(C)CC 85505501 572757920 /nfs/dbraw/zinc/75/79/20/572757920.db2.gz GDXSONUGXIOWKW-PWSUYJOCSA-N 0 0 198.306 2.949 10 0 AFAERN CC[C@@H](C)O[C@@H]1CC(=O)C1(CC)CC 85506044 572757923 /nfs/dbraw/zinc/75/79/23/572757923.db2.gz VGTFACWZZIFHPV-MWLCHTKSSA-N 0 0 198.306 2.949 10 0 AFAERN CCCCO[C@@H]1CC(=O)C12CCCC2 85505802 572757928 /nfs/dbraw/zinc/75/79/28/572757928.db2.gz XEAPQISLKVJRKU-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@](O)(c1ccc(F)cc1F)C1CC1 55238162 572757941 /nfs/dbraw/zinc/75/79/41/572757941.db2.gz AIDRZOCKGNBJFF-NSHDSACASA-N 0 0 198.212 2.582 10 0 AFAERN CCC(C)(C)O[C@H]1CC(=O)[C@@]1(C)CC 85505514 572757963 /nfs/dbraw/zinc/75/79/63/572757963.db2.gz GDXSONUGXIOWKW-CMPLNLGQSA-N 0 0 198.306 2.949 10 0 AFAERN C[C@@H]1CCC(=O)[C@]23CC=CC[C@]12C3 238435982 573546144 /nfs/dbraw/zinc/54/61/44/573546144.db2.gz JXGYRFHMKUYUTM-ADEWGFFLSA-N 0 0 176.259 2.712 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@H]1OCCC(C)C 85504575 572760242 /nfs/dbraw/zinc/76/02/42/572760242.db2.gz RSJNUYRREOSJNW-NEPJUHHUSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@H](O)/C=C1\C[C@H](C)CC[C@H]1C 307921188 572760325 /nfs/dbraw/zinc/76/03/25/572760325.db2.gz DXORSHPCDXHXSD-DGEXIKNJSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)(C)CCO[C@@H]1CC(=O)C1(C)C 85507157 572760359 /nfs/dbraw/zinc/76/03/59/572760359.db2.gz JNNRIILRUPNGOJ-SNVBAGLBSA-N 0 0 198.306 2.807 10 0 AFAERN C=C/C=C/CC[C@H](CCCC)NN 713745384 572760397 /nfs/dbraw/zinc/76/03/97/572760397.db2.gz GCFPYIBSXIUXQZ-ZRQQLDRUSA-N 0 0 182.311 2.531 10 0 AFAERN CCCC[C@@H](CC)COC1CC(=O)C1 85505427 572760398 /nfs/dbraw/zinc/76/03/98/572760398.db2.gz ZNAQDDGEJUTDAA-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN C/C(=C\C[C@@H](C)O)[Si](C)(C)C 307922754 572760413 /nfs/dbraw/zinc/76/04/13/572760413.db2.gz MZOOZJBVKJVEDX-KGOFQHAKSA-N 0 0 172.344 2.581 10 0 AFAERN C/C=C\[C@H](C[C@@H](C)O)C(C)C 307912018 572760418 /nfs/dbraw/zinc/76/04/18/572760418.db2.gz IUVWLUTVQIUQGL-KWMOZEJZSA-N 0 0 156.269 2.606 10 0 AFAERN Cc1ccc(C2=C[C@H](O)CC2)cc1 83549049 573549162 /nfs/dbraw/zinc/54/91/62/573549162.db2.gz CUQZYFHEJFZJDC-GFCCVEGCSA-N 0 0 174.243 2.533 10 0 AFAERN Cc1cccc(C2=C[C@H](O)CC2)c1C 83549089 573549179 /nfs/dbraw/zinc/54/91/79/573549179.db2.gz FIMVJSOFFFZUGS-GFCCVEGCSA-N 0 0 188.270 2.842 10 0 AFAERN CCc1ccc(C2=C[C@H](O)CC2)cc1 83549177 573549259 /nfs/dbraw/zinc/54/92/59/573549259.db2.gz NNCGYJIPBVDWLJ-CYBMUJFWSA-N 0 0 188.270 2.787 10 0 AFAERN C=C/C=C/c1ccoc1[C@H](C)[C@H](C)O 308629061 573549260 /nfs/dbraw/zinc/54/92/60/573549260.db2.gz QXICRZCTLRWUAP-ROSGPLSXSA-N 0 0 192.258 2.963 10 0 AFAERN CC[C@@H](C)CC1=C[C@@H](O)CC1 83549085 573549346 /nfs/dbraw/zinc/54/93/46/573549346.db2.gz ZBDCISJCOVTLKO-SCZZXKLOSA-N 0 0 154.253 2.504 10 0 AFAERN O[C@H]1C=C(c2cc(F)cc(F)c2)CC1 83548906 573549393 /nfs/dbraw/zinc/54/93/93/573549393.db2.gz BXVOBIKYSUQADM-LLVKDONJSA-N 0 0 196.196 2.503 10 0 AFAERN Cc1cc(C)cc(C2=C[C@@H](O)CC2)c1 83549224 573549445 /nfs/dbraw/zinc/54/94/45/573549445.db2.gz AFSFSCBPTWMHSN-ZDUSSCGKSA-N 0 0 188.270 2.842 10 0 AFAERN CCC/C=C(\F)[C@H](O)c1ccccn1 308629557 573549448 /nfs/dbraw/zinc/54/94/48/573549448.db2.gz SCHUIBJXUBBQSG-WDDYJBPVSA-N 0 0 195.237 2.769 10 0 AFAERN O[C@@H]1C=C(c2ccc(F)cc2F)CC1 83548917 573549461 /nfs/dbraw/zinc/54/94/61/573549461.db2.gz PUUZSTTWLCYJTN-VIFPVBQESA-N 0 0 196.196 2.503 10 0 AFAERN O=C(CCCCF)Cc1ccccc1 308629103 573549469 /nfs/dbraw/zinc/54/94/69/573549469.db2.gz YERVVIVIOPEDBE-UHFFFAOYSA-N 0 0 194.249 2.938 10 0 AFAERN O[C@H]1C=C(CCc2cccs2)CC1 83548627 573549476 /nfs/dbraw/zinc/54/94/76/573549476.db2.gz YFBGUQBRSMZFLQ-SNVBAGLBSA-N 0 0 194.299 2.762 10 0 AFAERN COc1c(Cl)cc(F)c2[nH]ccc12 107367988 573549510 /nfs/dbraw/zinc/54/95/10/573549510.db2.gz ACTLJVKWVRDDHO-UHFFFAOYSA-N 0 0 199.612 2.969 10 0 AFAERN CCc1cccc2cc(C(C)=O)[nH]c12 75393387 573554671 /nfs/dbraw/zinc/55/46/71/573554671.db2.gz VNXFUGTVDBOBOM-UHFFFAOYSA-N 0 0 187.242 2.933 10 0 AFAERN CCC(=O)c1nc(C(C)(C)C)[nH]c1C 197041686 573554683 /nfs/dbraw/zinc/55/46/83/573554683.db2.gz ZVUQCWYRVPEIES-UHFFFAOYSA-N 0 0 194.278 2.608 10 0 AFAERN C[C@@]12CCC[C@@](C)(C1)C(=O)CC2 238438574 573556947 /nfs/dbraw/zinc/55/69/47/573556947.db2.gz STUXVIJLOSPDFO-QWRGUYRKSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1[C@@H]2CCC[C@@]23CCCC(=O)[C@@H]13 238438438 573556969 /nfs/dbraw/zinc/55/69/69/573556969.db2.gz CILAGEUDZUHYTL-RBLKWDMZSA-N 0 0 178.275 2.792 10 0 AFAERN O=C(S)Nc1ccc2c(c1)CCC2 258770999 573556976 /nfs/dbraw/zinc/55/69/76/573556976.db2.gz XGRRIEBHEILVFV-UHFFFAOYSA-N 0 0 193.271 2.637 10 0 AFAERN CCc1ccc(C)cc1[C@H](C)CO 258060322 573557175 /nfs/dbraw/zinc/55/71/75/573557175.db2.gz SMKORHJSLZPRKB-SNVBAGLBSA-N 0 0 178.275 2.653 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1ccc(F)nc1 686123936 572776977 /nfs/dbraw/zinc/77/69/77/572776977.db2.gz CJLQCBPVCGOXQX-PSASIEDQSA-N 0 0 197.253 2.690 10 0 AFAERN C/C=C\[C@H](C)[C@@H](O)CCCC 307927282 572776978 /nfs/dbraw/zinc/77/69/78/572776978.db2.gz SFMZGWLMCXSJJI-XTKVZWQSSA-N 0 0 156.269 2.750 10 0 AFAERN C/C=C/C(=C/c1ccccc1)CO 308117622 572777004 /nfs/dbraw/zinc/77/70/04/572777004.db2.gz CHAKIZYZDFCPRH-OWFRFYPISA-N 0 0 174.243 2.638 10 0 AFAERN CSCCSCCOC(C)C 307927292 572777019 /nfs/dbraw/zinc/77/70/19/572777019.db2.gz SHFPTFAGJBBIFJ-UHFFFAOYSA-N 0 0 194.365 2.508 10 0 AFAERN CCC(C)(C)[C@H](O)c1ccc(F)nc1 686124027 572777059 /nfs/dbraw/zinc/77/70/59/572777059.db2.gz XNXNXDCFTMYUKE-SNVBAGLBSA-N 0 0 197.253 2.690 10 0 AFAERN CCC(C)(C)[C@@H](O)c1ccc(F)nc1 686124026 572777087 /nfs/dbraw/zinc/77/70/87/572777087.db2.gz XNXNXDCFTMYUKE-JTQLQIEISA-N 0 0 197.253 2.690 10 0 AFAERN CC(C)=CCC[C@H](O)C1CC1 71007980 572777089 /nfs/dbraw/zinc/77/70/89/572777089.db2.gz DIZDSBDDMANXOL-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN C/C=C(/C=C\C=C(C)C)CCO 307929591 572777846 /nfs/dbraw/zinc/77/78/46/572777846.db2.gz ASCZZLCYHIRJSA-QXOCYMRCSA-N 0 0 166.264 2.838 10 0 AFAERN C/C=C\[C@H](CC)[C@@H](O)/C=C/C 307930503 572777872 /nfs/dbraw/zinc/77/78/72/572777872.db2.gz UYOUFJMXXKZQOX-QSMPIUIASA-N 0 0 154.253 2.526 10 0 AFAERN C[C@H]1C/C(=C\CO)CC(C)(C)C1 238440420 573559509 /nfs/dbraw/zinc/55/95/09/573559509.db2.gz CTMDCPXCSPVYPO-YNYSXPKMSA-N 0 0 168.280 2.751 10 0 AFAERN C=Cn1c(C=O)cc(CC)c1CCC 238269696 573559674 /nfs/dbraw/zinc/55/96/74/573559674.db2.gz MIXKXUDVVKVHCK-UHFFFAOYSA-N 0 0 191.274 2.916 10 0 AFAERN CCCCC[C@H](NN)C1(C)CCCC1 130374666 573559772 /nfs/dbraw/zinc/55/97/72/573559772.db2.gz AGVHNKQTFHEEBZ-NSHDSACASA-N 0 0 198.354 2.979 10 0 AFAERN COC(C)(C)[C@H](O)C1=CCCCCC1 234573764 572784626 /nfs/dbraw/zinc/78/46/26/572784626.db2.gz PJXCGIDYSBUHEF-LLVKDONJSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1sc(-c2cccs2)nc1N 75404583 573559928 /nfs/dbraw/zinc/55/99/28/573559928.db2.gz FCFAGAXKZZCMLT-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN C=C=CCC(=O)c1ccccc1 145152621 573559941 /nfs/dbraw/zinc/55/99/41/573559941.db2.gz CKTRKBROTLCVAO-UHFFFAOYSA-N 0 0 158.200 2.601 10 0 AFAERN Cc1cccc2[nH]c3c(c12)C(=O)CCC3 238532366 572787148 /nfs/dbraw/zinc/78/71/48/572787148.db2.gz RNDOXOYDJVWADD-UHFFFAOYSA-N 0 0 199.253 2.995 10 0 AFAERN OC[C@@H]1CCCc2cc(Cl)ccc21 197051011 573561392 /nfs/dbraw/zinc/56/13/92/573561392.db2.gz MPHAEKDJCMIAAH-VIFPVBQESA-N 0 0 196.677 2.752 10 0 AFAERN COc1ccc2c(C=O)c(C)oc2c1 145164849 573561102 /nfs/dbraw/zinc/56/11/02/573561102.db2.gz VZBCYGCSVFCKHG-UHFFFAOYSA-N 0 0 190.198 2.562 10 0 AFAERN Cc1cc(C[C@H](CO)C(C)C)cs1 393535779 573561114 /nfs/dbraw/zinc/56/11/14/573561114.db2.gz DDLTVGNCEVKBGZ-LLVKDONJSA-N 0 0 198.331 2.864 10 0 AFAERN C/C=C(/C)[C@H](OC)[C@H](C)/C=C(/C)CO 308622831 573561118 /nfs/dbraw/zinc/56/11/18/573561118.db2.gz HEVNUWWWORREQN-DJYASAPSSA-N 0 0 198.306 2.542 10 0 AFAERN Cc1[nH]c([C@@H]2CCC[C@H](C)C2)nc1O 235618241 573561166 /nfs/dbraw/zinc/56/11/66/573561166.db2.gz ZWAKXBQBDYBXDC-IONNQARKSA-N 0 0 194.278 2.717 10 0 AFAERN CC(=O)c1onc2c(Cl)cccc12 257830679 573561175 /nfs/dbraw/zinc/56/11/75/573561175.db2.gz JBKBMBBDFKJXHD-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN Cc1ccc(O)c(C2CCOCC2)c1 259509206 573561179 /nfs/dbraw/zinc/56/11/79/573561179.db2.gz RNIXRFJRHCCWOX-UHFFFAOYSA-N 0 0 192.258 2.595 10 0 AFAERN Cc1nc2c(N)cc(Cl)cc2s1 75398059 573561206 /nfs/dbraw/zinc/56/12/06/573561206.db2.gz XPDPDGYGXKFDIJ-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN C/C=C(/C)[C@@H](O)/C=C\C(C)=C\C 307935539 572793010 /nfs/dbraw/zinc/79/30/10/572793010.db2.gz LANOVKBLGAAQPP-HCWRFGAFSA-N 0 0 166.264 2.836 10 0 AFAERN C=C/C=C\CCSC(C)(C)CO 713756797 572795253 /nfs/dbraw/zinc/79/52/53/572795253.db2.gz BVFJMWHHGZKPPE-WAYWQWQTSA-N 0 0 186.320 2.623 10 0 AFAERN Nc1sccc1Cc1ccccc1 257563890 572795278 /nfs/dbraw/zinc/79/52/78/572795278.db2.gz RORNYKRSROASQQ-UHFFFAOYSA-N 0 0 189.283 2.921 10 0 AFAERN OCCCCCCNc1ccsc1 236501551 572795305 /nfs/dbraw/zinc/79/53/05/572795305.db2.gz GCPDIIFTJKCGFY-UHFFFAOYSA-N 0 0 199.319 2.713 10 0 AFAERN Cc1cccc(Cc2coc(N)c2)c1 257564573 572795363 /nfs/dbraw/zinc/79/53/63/572795363.db2.gz LHROGSVSRGAHTB-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN COc1c(C)c(C)cc(C)c1C(C)=O 117872603 572795415 /nfs/dbraw/zinc/79/54/15/572795415.db2.gz JUBTULKTEUAGIQ-UHFFFAOYSA-N 0 0 192.258 2.823 10 0 AFAERN Nc1ccc(CC2CCCC2)o1 257564398 572795428 /nfs/dbraw/zinc/79/54/28/572795428.db2.gz IYEVELPOJRNXCP-UHFFFAOYSA-N 0 0 165.236 2.595 10 0 AFAERN Cn1nccc1-c1ccc2ccoc2c1 238552762 572798134 /nfs/dbraw/zinc/79/81/34/572798134.db2.gz KYFGWFJAOMRUHP-UHFFFAOYSA-N 0 0 198.225 2.833 10 0 AFAERN CC(=O)C[C@@H]1CC[C@H]2CCC[C@@H]12 141675939 572798176 /nfs/dbraw/zinc/79/81/76/572798176.db2.gz OIGJTPLJBJMXML-OUAUKWLOSA-N 0 0 166.264 2.792 10 0 AFAERN CNc1sc(C2CCC2)nc1C 259112555 573561389 /nfs/dbraw/zinc/56/13/89/573561389.db2.gz BKVZUHWBAXPVIJ-UHFFFAOYSA-N 0 0 182.292 2.761 10 0 AFAERN Cc1nc2c(C)c(N)c(C)cc2s1 75398061 573561834 /nfs/dbraw/zinc/56/18/34/573561834.db2.gz FRHGBXAFECOAAI-UHFFFAOYSA-N 0 0 192.287 2.804 10 0 AFAERN CO[C@@H]1C[C@@H](C)Nc2ccc(F)cc21 71481337 572839746 /nfs/dbraw/zinc/83/97/46/572839746.db2.gz BBJKVTRZJRBGFH-RDDDGLTNSA-N 0 0 195.237 2.717 10 0 AFAERN C[C@H](F)CCS[C@@H]1CCO[C@@H]1C 307957572 572839801 /nfs/dbraw/zinc/83/98/01/572839801.db2.gz SHRXFJNVHSOTBM-DJLDLDEBSA-N 0 0 192.299 2.645 10 0 AFAERN CC(=O)c1n[nH]c(C(C)C)c1C1CC1 75394391 572839828 /nfs/dbraw/zinc/83/98/28/572839828.db2.gz WMBAWSKXVMTMDZ-UHFFFAOYSA-N 0 0 192.262 2.613 10 0 AFAERN COC(=N)CCCc1ccc(C)cc1 71505869 572839860 /nfs/dbraw/zinc/83/98/60/572839860.db2.gz KJSZCZQQFAHXCB-UHFFFAOYSA-N 0 0 191.274 2.941 10 0 AFAERN C[C@@H](c1ccc[nH]1)c1ccccc1O 238440093 573561654 /nfs/dbraw/zinc/56/16/54/573561654.db2.gz ZTRFIYWTPYWUMS-SECBINFHSA-N 0 0 187.242 2.872 10 0 AFAERN CCCCn1ccc([C@H](O)C(C)C)c1 85842931 572827870 /nfs/dbraw/zinc/82/78/70/572827870.db2.gz QSLWREKABXDCRD-GFCCVEGCSA-N 0 0 195.306 2.978 10 0 AFAERN C[C@@H]1CCC2=C(CC(=O)CC2)C1 238440217 573561662 /nfs/dbraw/zinc/56/16/62/573561662.db2.gz DNBPDLQEFQVFKO-MRVPVSSYSA-N 0 0 164.248 2.856 10 0 AFAERN Cc1ccc2c(c1)[C@@H](CO)C[C@@H]2C 238440347 573561670 /nfs/dbraw/zinc/56/16/70/573561670.db2.gz HULRXCCBRNSBHP-VHSXEESVSA-N 0 0 176.259 2.578 10 0 AFAERN CCC[C@H](O)c1ccn(C(F)F)c1 85841712 572827888 /nfs/dbraw/zinc/82/78/88/572827888.db2.gz OGOIHGMVTOZPPE-QMMMGPOBSA-N 0 0 189.205 2.717 10 0 AFAERN c1ccc2c(c1)CC[C@H]2Nn1cccc1 85828824 572827903 /nfs/dbraw/zinc/82/79/03/572827903.db2.gz MHLOGMUKYQMZIY-CYBMUJFWSA-N 0 0 198.269 2.719 10 0 AFAERN CC[C@H]1CNc2cc(OC)ccc21 71486391 572827911 /nfs/dbraw/zinc/82/79/11/572827911.db2.gz GQTUHEODQZDJQX-QMMMGPOBSA-N 0 0 177.247 2.614 10 0 AFAERN CCCn1ccc([C@H](O)C(C)C)c1 85842959 572827939 /nfs/dbraw/zinc/82/79/39/572827939.db2.gz SWGSEPUFVNZVQT-LLVKDONJSA-N 0 0 181.279 2.588 10 0 AFAERN Cc1cccc2c1CC1(CC1)C2=O 71489067 572827959 /nfs/dbraw/zinc/82/79/59/572827959.db2.gz CCCXLSFMVAZKHT-UHFFFAOYSA-N 0 0 172.227 2.514 10 0 AFAERN CC(C)/C=C\C(=O)O[C@]1(C)C[C@@H]1C 308141944 572827965 /nfs/dbraw/zinc/82/79/65/572827965.db2.gz JESXBWDFDFZSJJ-KHKGIKIOSA-N 0 0 182.263 2.540 10 0 AFAERN CCc1cccc2c1N[C@@H](C)C2 71484214 572828000 /nfs/dbraw/zinc/82/80/00/572828000.db2.gz CGNPPUSBLGFQKV-QMMMGPOBSA-N 0 0 161.248 2.606 10 0 AFAERN C[C@@H]1Cc2ccc(Cl)cc2N1 71484199 572828004 /nfs/dbraw/zinc/82/80/04/572828004.db2.gz SPGRAQIWXDONAH-ZCFIWIBFSA-N 0 0 167.639 2.697 10 0 AFAERN CC(C)OCSc1cccc(O)c1 308142391 572834909 /nfs/dbraw/zinc/83/49/09/572834909.db2.gz MCLMHYNTPIZJSF-UHFFFAOYSA-N 0 0 198.287 2.867 10 0 AFAERN CC(C)/C=C/C(=O)OCC1CCC1 308143610 572835796 /nfs/dbraw/zinc/83/57/96/572835796.db2.gz AEVVBWXZCCQEFO-VOTSOKGWSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)(C)C(=O)c1ccc(N)s1 75387269 572835802 /nfs/dbraw/zinc/83/58/02/572835802.db2.gz PRVUEVVLBZSNPZ-UHFFFAOYSA-N 0 0 183.276 2.559 10 0 AFAERN CC(C)C(C)(C)N[C@H](C)C(F)(F)F 308143371 572835822 /nfs/dbraw/zinc/83/58/22/572835822.db2.gz KDCCEKCIAOICKL-SSDOTTSWSA-N 0 0 197.244 2.961 10 0 AFAERN O=Cc1cc(Cc2ccco2)cs1 75392954 572835860 /nfs/dbraw/zinc/83/58/60/572835860.db2.gz UTGQYYGFTCYNPQ-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN OC[C@@H]1CCCc2cccc(Cl)c21 197050966 573561757 /nfs/dbraw/zinc/56/17/57/573561757.db2.gz WQPYLLAZCUMLMR-VIFPVBQESA-N 0 0 196.677 2.752 10 0 AFAERN Cc1cccc(C[C@@H](C)O)c1Cl 258061950 573561759 /nfs/dbraw/zinc/56/17/59/573561759.db2.gz LOQSDOSLSLDWGF-MRVPVSSYSA-N 0 0 184.666 2.572 10 0 AFAERN CN(C)c1ccc(CC(C)(F)F)cc1 258776940 573562870 /nfs/dbraw/zinc/56/28/70/573562870.db2.gz LSTQMCABOIHZIZ-UHFFFAOYSA-N 0 0 199.244 2.950 10 0 AFAERN Cc1cc2nc(-c3ccccc3)cn2[nH]1 118499755 572843890 /nfs/dbraw/zinc/84/38/90/572843890.db2.gz DBMOVJNZLHWWBC-UHFFFAOYSA-N 0 0 197.241 2.638 10 0 AFAERN CCOC(=O)/C=C\C=C(CC)CC 308149161 572844051 /nfs/dbraw/zinc/84/40/51/572844051.db2.gz FMJCAYXINKCXFZ-CLFYSBASSA-N 0 0 182.263 2.852 10 0 AFAERN Cc1ccc2c(c1C)N[C@H](C)C[C@H]2O 71481551 572844147 /nfs/dbraw/zinc/84/41/47/572844147.db2.gz UUTLQELVNGZFSI-LDYMZIIASA-N 0 0 191.274 2.541 10 0 AFAERN CCC[C@H](O)C/C=C\C[C@H](C)OC 308149405 572844171 /nfs/dbraw/zinc/84/41/71/572844171.db2.gz GOBBYQMEHFBYBO-OBOPVNRVSA-N 0 0 186.295 2.519 10 0 AFAERN CO/C=C/C=C\[C@H](O)C1CCCCC1 308623256 573562949 /nfs/dbraw/zinc/56/29/49/573562949.db2.gz HMFNSFGWNZOVKQ-LNHWFUAMSA-N 0 0 196.290 2.644 10 0 AFAERN Cn1ccc(CC2CCCC2)c1C=O 75425413 572844648 /nfs/dbraw/zinc/84/46/48/572844648.db2.gz BZSRYHAYIMBKPU-UHFFFAOYSA-N 0 0 191.274 2.570 10 0 AFAERN Cc1cc2cc(C)c(C=O)nc2cc1C 77254998 572844653 /nfs/dbraw/zinc/84/46/53/572844653.db2.gz IGOQQIOPOALSJP-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN CC(C)C(=O)O[C@H](C)C1CCCC1 308149857 572844675 /nfs/dbraw/zinc/84/46/75/572844675.db2.gz NSHFUYRAZDLGHZ-SECBINFHSA-N 0 0 184.279 2.764 10 0 AFAERN Cc1cc(C)c2nc(C=O)c(C)cc2c1 77254999 572844901 /nfs/dbraw/zinc/84/49/01/572844901.db2.gz SVARDONUBDURNO-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN Cn1cc(CC2CCCC2)cc1C=O 75425515 572844976 /nfs/dbraw/zinc/84/49/76/572844976.db2.gz VPZRWDLCZZUCPY-UHFFFAOYSA-N 0 0 191.274 2.570 10 0 AFAERN CC/C=C/Cc1cccc(C=O)c1O 75579707 572872509 /nfs/dbraw/zinc/87/25/09/572872509.db2.gz NOUCYRXKARGMHZ-ONEGZZNKSA-N 0 0 190.242 2.713 10 0 AFAERN CC(=O)C[C@H](C(C)C)C1CC1 107398738 573563699 /nfs/dbraw/zinc/56/36/99/573563699.db2.gz ONXWENNZWDMISC-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(C)Cc1ccc(C=O)o1 75424828 572845004 /nfs/dbraw/zinc/84/50/04/572845004.db2.gz DWZBCDJOQHRUJH-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN CC(C)(C)Cc1cc(N)cs1 75468328 572854728 /nfs/dbraw/zinc/85/47/28/572854728.db2.gz PAMMPIUNKMHEMR-UHFFFAOYSA-N 0 0 169.293 2.919 10 0 AFAERN Cc1cccc(Cc2cc(C=O)c[nH]2)c1 75460988 572856991 /nfs/dbraw/zinc/85/69/91/572856991.db2.gz OWSUVCIAFYJJPX-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN CC1(CCC(=O)C2CC2)CCC1 307962334 572857073 /nfs/dbraw/zinc/85/70/73/572857073.db2.gz NDYQQVDQTKXTKF-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CCCC[C@@H]1C[C@@H]1[C@@H](O)C(C)C 307964784 572867489 /nfs/dbraw/zinc/86/74/89/572867489.db2.gz PZEYFLGJEHPLAT-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1C(=O)CC=C1C(C)(C)C 238433143 573565315 /nfs/dbraw/zinc/56/53/15/573565315.db2.gz ZISWEMSPAHGMPL-SSDOTTSWSA-N 0 0 152.237 2.568 10 0 AFAERN COc1ccc(O)cc1[C@@H]1C=CCC1 75579765 572872469 /nfs/dbraw/zinc/87/24/69/572872469.db2.gz MDWWNUOXTSINID-SECBINFHSA-N 0 0 190.242 2.834 10 0 AFAERN COc1ccc(O)cc1[C@H]1C=CCC1 75579763 572872488 /nfs/dbraw/zinc/87/24/88/572872488.db2.gz MDWWNUOXTSINID-VIFPVBQESA-N 0 0 190.242 2.834 10 0 AFAERN CC(C)[C@H]1CNc2ccsc2N1 75591668 572892137 /nfs/dbraw/zinc/89/21/37/572892137.db2.gz NYGZALGSTMBJMF-MRVPVSSYSA-N 0 0 182.292 2.610 10 0 AFAERN CCC(CC)[C@H]1CNc2cocc2N1 75594374 572892144 /nfs/dbraw/zinc/89/21/44/572892144.db2.gz KHYOLGGVXSFJOR-SECBINFHSA-N 0 0 194.278 2.922 10 0 AFAERN CC(C)[C@@H]1CNc2ccsc2N1 75591666 572892187 /nfs/dbraw/zinc/89/21/87/572892187.db2.gz NYGZALGSTMBJMF-QMMMGPOBSA-N 0 0 182.292 2.610 10 0 AFAERN C=C/C=C\CC/C=C/C=C/CO 307978001 572892204 /nfs/dbraw/zinc/89/22/04/572892204.db2.gz KIDFUNJQLDCNIU-IICWQLAKSA-N 0 0 164.248 2.614 10 0 AFAERN CC(C)[C@@H]1CNc2sccc2O1 75592791 572892221 /nfs/dbraw/zinc/89/22/21/572892221.db2.gz HZGJWTOZGGUHLE-QMMMGPOBSA-N 0 0 183.276 2.577 10 0 AFAERN CC[C@@H](C)C[C@@H]1CCC[C@@H]1O 50428093 572892229 /nfs/dbraw/zinc/89/22/29/572892229.db2.gz QJXIKCPFRSCCEF-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1C[C@]1(O)CCCc1ccccc1 86197783 572888999 /nfs/dbraw/zinc/88/89/99/572888999.db2.gz NPQFXVDOHFRLSR-DGCLKSJQSA-N 0 0 190.286 2.780 10 0 AFAERN CCOc1ccccc1-c1ccno1 83618016 573568242 /nfs/dbraw/zinc/56/82/42/573568242.db2.gz SSGOGOQQJNYHQS-UHFFFAOYSA-N 0 0 189.214 2.740 10 0 AFAERN C[C@]12CC=C[C@H](O)[C@@H]1CCCC2 238432406 573568253 /nfs/dbraw/zinc/56/82/53/573568253.db2.gz KMERHPRGYJSDKG-DCAQKATOSA-N 0 0 166.264 2.504 10 0 AFAERN CC/C(=C\c1ccc(F)cc1F)CO 86209208 572889957 /nfs/dbraw/zinc/88/99/57/572889957.db2.gz JXBVBNJMUZEYDS-VMPITWQZSA-N 0 0 198.212 2.751 10 0 AFAERN C[C@@H]1C[C@@]1(O)CCCc1ccccc1 86197785 572890058 /nfs/dbraw/zinc/89/00/58/572890058.db2.gz NPQFXVDOHFRLSR-YPMHNXCESA-N 0 0 190.286 2.780 10 0 AFAERN CCC[C@H]1C[C@@]1(O)Cc1ccsc1 86202560 572890083 /nfs/dbraw/zinc/89/00/83/572890083.db2.gz LNLSEHRZVZBBJS-QWRGUYRKSA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@@H]1C[C@]1(O)Cc1ccccc1 86203207 572890089 /nfs/dbraw/zinc/89/00/89/572890089.db2.gz RDSKCCPWVXIPRK-CHWSQXEVSA-N 0 0 190.286 2.780 10 0 AFAERN CC/C(=C\c1ccc(Cl)o1)CO 86209306 572890093 /nfs/dbraw/zinc/89/00/93/572890093.db2.gz BSWNAGPTDQGQMA-FNORWQNLSA-N 0 0 186.638 2.719 10 0 AFAERN CC[C@H]1C[C@@]1(O)CCc1ccccc1 86200575 572890119 /nfs/dbraw/zinc/89/01/19/572890119.db2.gz SIRRARPTIBRFFF-STQMWFEESA-N 0 0 190.286 2.780 10 0 AFAERN CCCCC[C@]1(O)C[C@H]1CC 86200030 572890132 /nfs/dbraw/zinc/89/01/32/572890132.db2.gz UEEXIXWXYGONOT-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CCCCC[C@@]1(O)C[C@@H]1CC 86200028 572890158 /nfs/dbraw/zinc/89/01/58/572890158.db2.gz UEEXIXWXYGONOT-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CCCC(=O)OC[C@@H]1CC=CCC1 308169918 572890181 /nfs/dbraw/zinc/89/01/81/572890181.db2.gz AZOUFFXPOVDKCT-SNVBAGLBSA-N 0 0 182.263 2.686 10 0 AFAERN CCc1ccc(/C=C(/CO)C(C)C)o1 86209448 572890186 /nfs/dbraw/zinc/89/01/86/572890186.db2.gz AVMYQBHBOFKSRM-YFHOEESVSA-N 0 0 194.274 2.874 10 0 AFAERN CCC[C@H]1C[C@]1(O)CC(C)(C)C 86203281 572890193 /nfs/dbraw/zinc/89/01/93/572890193.db2.gz WUKGJQKHARARFC-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@]1(O)C[C@@H]1CCC 86202784 572890200 /nfs/dbraw/zinc/89/02/00/572890200.db2.gz FHCFDDSOVWYOED-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@H](O)/C=C/C1=CC=CC=CC=C1 308169095 572890239 /nfs/dbraw/zinc/89/02/39/572890239.db2.gz UCZDWIOXMZTIBR-WAUHCLSPSA-N 0 0 174.243 2.532 10 0 AFAERN C[C@H](O)/C=C\C1=CC=CC=CC=C1 308169070 572890241 /nfs/dbraw/zinc/89/02/41/572890241.db2.gz UCZDWIOXMZTIBR-FMIHFMIVSA-N 0 0 174.243 2.532 10 0 AFAERN CC(C)(/C=C\C[Si](C)(C)C)CO 307978008 572891851 /nfs/dbraw/zinc/89/18/51/572891851.db2.gz KKEWEPVRFQOZJW-SREVYHEPSA-N 0 0 186.371 2.899 10 0 AFAERN CC(/C=C\c1ccsc1)=C\CO 307979015 572892003 /nfs/dbraw/zinc/89/20/03/572892003.db2.gz LXEKCZHWKWBKCI-SEEXIRIMSA-N 0 0 180.272 2.700 10 0 AFAERN C[C@@H]1CNc2ccsc2S1 75592682 572892036 /nfs/dbraw/zinc/89/20/36/572892036.db2.gz KZVIBGIBWHEMBF-RXMQYKEDSA-N 0 0 171.290 2.654 10 0 AFAERN CCCn1nc(C(C)C)cc1C(C)=O 75587421 572892057 /nfs/dbraw/zinc/89/20/57/572892057.db2.gz KJTFFGCRPSMHRJ-UHFFFAOYSA-N 0 0 194.278 2.619 10 0 AFAERN CC(/C=C\c1ccsc1)=C/CO 307979016 572892108 /nfs/dbraw/zinc/89/21/08/572892108.db2.gz LXEKCZHWKWBKCI-UARZHTBLSA-N 0 0 180.272 2.700 10 0 AFAERN CC1=CC(C)(C)[C@H]([C@@H](C)O)CC1 238433381 573569601 /nfs/dbraw/zinc/56/96/01/573569601.db2.gz PAJSMOIPQZIPIY-ZJUUUORDSA-N 0 0 168.280 2.750 10 0 AFAERN CC(=O)CNc1ccccc1C(C)C 258778907 573569750 /nfs/dbraw/zinc/56/97/50/573569750.db2.gz ZLVOAMKVIHZRKC-UHFFFAOYSA-N 0 0 191.274 2.811 10 0 AFAERN C[C@H](c1nccs1)C(F)(F)F 75839452 572903622 /nfs/dbraw/zinc/90/36/22/572903622.db2.gz YIQKLUJKFNSMOQ-SCSAIBSYSA-N 0 0 181.182 2.809 10 0 AFAERN Cc1n[nH]cc1[C@@H](C)c1ccccc1 75841693 572903693 /nfs/dbraw/zinc/90/36/93/572903693.db2.gz CXFAPLDCMKOVMA-VIFPVBQESA-N 0 0 186.258 2.870 10 0 AFAERN CC(C)c1cnc(C(C)(C)C)nc1 75838991 572903695 /nfs/dbraw/zinc/90/36/95/572903695.db2.gz ZZTITMPEKMXKGJ-UHFFFAOYSA-N 0 0 178.279 2.898 10 0 AFAERN CCn1ccnc1C1CCCC1 75840782 572903700 /nfs/dbraw/zinc/90/37/00/572903700.db2.gz NZHNPZAUKYWWOP-UHFFFAOYSA-N 0 0 164.252 2.561 10 0 AFAERN Cc1ccc(N)cc1C(=O)C(C)(C)C 75854813 572903739 /nfs/dbraw/zinc/90/37/39/572903739.db2.gz BFPUTADCBAGPCM-UHFFFAOYSA-N 0 0 191.274 2.806 10 0 AFAERN COc1ccc(F)c(C(C)C)c1 75838815 572903754 /nfs/dbraw/zinc/90/37/54/572903754.db2.gz REUSKMRNMYIQND-UHFFFAOYSA-N 0 0 168.211 2.958 10 0 AFAERN CC(C)c1nccn1-c1ccccc1 75838983 572903825 /nfs/dbraw/zinc/90/38/25/572903825.db2.gz WEPJRXHTZOKEJC-UHFFFAOYSA-N 0 0 186.258 2.996 10 0 AFAERN CC(C)c1c(F)ccc2cn(C)nc12 75839221 572903907 /nfs/dbraw/zinc/90/39/07/572903907.db2.gz SFMUQXROYAJBPH-UHFFFAOYSA-N 0 0 192.237 2.836 10 0 AFAERN C[C@H](/C=C\c1ccccc1)/C=C/CO 308624415 573569766 /nfs/dbraw/zinc/56/97/66/573569766.db2.gz JLNCPPOCEJXLTF-UYMOTINCSA-N 0 0 188.270 2.884 10 0 AFAERN c1c[nH]c(C2=N[C@@H](c3ccc[nH]3)CC2)c1 238007959 572913507 /nfs/dbraw/zinc/91/35/07/572913507.db2.gz REOCLNYAFWOGFK-LLVKDONJSA-N 0 0 199.257 2.667 10 0 AFAERN c1c[nH]c(C2=N[C@H](c3ccc[nH]3)CC2)c1 238007927 572913533 /nfs/dbraw/zinc/91/35/33/572913533.db2.gz REOCLNYAFWOGFK-NSHDSACASA-N 0 0 199.257 2.667 10 0 AFAERN C/C=C/C=C/Cc1ccc(CO)cc1 238002224 572913542 /nfs/dbraw/zinc/91/35/42/572913542.db2.gz WKKXFJMRTLQPKQ-MQQKCMAXSA-N 0 0 188.270 2.854 10 0 AFAERN CCCC1=C(C)CCC[C@@H]1O 196967963 572915437 /nfs/dbraw/zinc/91/54/37/572915437.db2.gz VZZRVVQVLUHFDL-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1C(=O)CCCC12CCCC2 238433343 573572925 /nfs/dbraw/zinc/57/29/25/573572925.db2.gz PULAFZLQLRSVRK-VIFPVBQESA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1CCN1c1ccc(Cl)cc1N 86687459 573572990 /nfs/dbraw/zinc/57/29/90/573572990.db2.gz BQDZHPTWOBZMBY-SSDOTTSWSA-N 0 0 196.681 2.521 10 0 AFAERN CC(C)C(C(C)C)[C@H](O)C1=COCC1 308634787 573573113 /nfs/dbraw/zinc/57/31/13/573573113.db2.gz AOOJIXZUOKKJGD-GFCCVEGCSA-N 0 0 198.306 2.580 10 0 AFAERN C[C@@H](O)[C@@H]1CCCC=C1[Si](C)(C)C 238433632 573573170 /nfs/dbraw/zinc/57/31/70/573573170.db2.gz UKKRVBLQHKYOLY-ZJUUUORDSA-N 0 0 198.382 2.971 10 0 AFAERN CCc1cc(C[C@H](C)O)c(C)cc1F 258064745 573573210 /nfs/dbraw/zinc/57/32/10/573573210.db2.gz LQQZJGXVBLHRSW-VIFPVBQESA-N 0 0 196.265 2.620 10 0 AFAERN CCCCC(=O)c1cnn(CCC)c1 86315086 572917161 /nfs/dbraw/zinc/91/71/61/572917161.db2.gz KGNSJHSYPFUOPI-UHFFFAOYSA-N 0 0 194.278 2.666 10 0 AFAERN CC[C@H](C)[C@H]1C[C@@H](C)CCO1 255961741 572917232 /nfs/dbraw/zinc/91/72/32/572917232.db2.gz ADAHKBPTDGLBPM-LPEHRKFASA-N 0 0 156.269 2.848 10 0 AFAERN C[C@H]1Nc2ccccc2C(C)(C)O1 196970810 572917328 /nfs/dbraw/zinc/91/73/28/572917328.db2.gz SENWVYTWFYDKTL-QMMMGPOBSA-N 0 0 177.247 2.710 10 0 AFAERN CCCc1c(N)noc1[C@@H](C)C(C)C 86326159 572920421 /nfs/dbraw/zinc/92/04/21/572920421.db2.gz RVBCKVBGKUPDGE-QMMMGPOBSA-N 0 0 196.294 2.969 10 0 AFAERN CC(C)C[C@@H](CO)c1cccc(F)c1 86367465 572925519 /nfs/dbraw/zinc/92/55/19/572925519.db2.gz RBGLIQBYXJNSLL-NSHDSACASA-N 0 0 196.265 2.948 10 0 AFAERN CC(C)[C@H](CCC1CC1)[C@@H](C)O 86362711 572925560 /nfs/dbraw/zinc/92/55/60/572925560.db2.gz MKOIURBZIVAYLA-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)(CO)SCc1ccccc1 238116761 572937869 /nfs/dbraw/zinc/93/78/69/572937869.db2.gz IARDCZGWUTZSMY-UHFFFAOYSA-N 0 0 196.315 2.691 10 0 AFAERN CCCCOCC(=O)C(C)(C)CC 308195932 572937895 /nfs/dbraw/zinc/93/78/95/572937895.db2.gz MOXLLRHPXASPQP-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN C=C/C=C\CC[C@H](O)[C@@H](C)C1CC1 713639219 572925972 /nfs/dbraw/zinc/92/59/72/572925972.db2.gz GGSSASUNONBGBL-CKUGJSDZSA-N 0 0 180.291 2.916 10 0 AFAERN CCCC(=O)CC[C@@H]1CCCCO1 86352652 572926063 /nfs/dbraw/zinc/92/60/63/572926063.db2.gz LDYAAKAXRODDEV-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@H](C)C1CC1 713639220 572926096 /nfs/dbraw/zinc/92/60/96/572926096.db2.gz GGSSASUNONBGBL-PRANIUCASA-N 0 0 180.291 2.916 10 0 AFAERN C=C/C=C\CC[C@]1(CO)CC1(C)C 713639215 572926110 /nfs/dbraw/zinc/92/61/10/572926110.db2.gz GDWKXYJNNLAAHS-FOQNGQEVSA-N 0 0 180.291 2.917 10 0 AFAERN CC[C@@H](C)[C@H](O)CSC(C)C 86389729 572929988 /nfs/dbraw/zinc/92/99/88/572929988.db2.gz KTRUUSWSYSUNNF-RKDXNWHRSA-N 0 0 176.325 2.535 10 0 AFAERN CC(C)=C/C=C/[C@@H](C)[C@@H](C)O 238445792 573574876 /nfs/dbraw/zinc/57/48/76/573574876.db2.gz ULIRQZURIDDABP-NDDURPPSSA-N 0 0 154.253 2.526 10 0 AFAERN Cc1cc(OCCCF)c(C)cc1N 88024000 572931028 /nfs/dbraw/zinc/93/10/28/572931028.db2.gz PERHWARNAKUBAS-UHFFFAOYSA-N 0 0 197.253 2.624 10 0 AFAERN Cc1cc(C)c(OCCCF)c(N)c1 88023995 572931066 /nfs/dbraw/zinc/93/10/66/572931066.db2.gz QFIXFVFUWOURSE-UHFFFAOYSA-N 0 0 197.253 2.624 10 0 AFAERN CC(C)(C)C(=O)CCCCF 88025973 572933362 /nfs/dbraw/zinc/93/33/62/572933362.db2.gz UQLHXQLIXKQDQX-UHFFFAOYSA-N 0 0 160.232 2.741 10 0 AFAERN CC(C)c1cccc(C[C@@H](C)CO)c1 116775815 572933388 /nfs/dbraw/zinc/93/33/88/572933388.db2.gz JMNQLAMETZEKBK-LLVKDONJSA-N 0 0 192.302 2.981 10 0 AFAERN CC(=O)[C@@H](CCCF)C(C)C 88026013 572933398 /nfs/dbraw/zinc/93/33/98/572933398.db2.gz NLYIXGAQHHPOLZ-VIFPVBQESA-N 0 0 160.232 2.597 10 0 AFAERN CCC(CC)[C@H](O)CCCCOC 308195877 572937710 /nfs/dbraw/zinc/93/77/10/572937710.db2.gz MKYGLIPEZRZTMR-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CC(=C=Cc1ccc(Cl)cc1)CO 144338732 573576677 /nfs/dbraw/zinc/57/66/77/573576677.db2.gz CVYTYGRCFJJJOH-UHFFFAOYSA-N 0 0 194.661 2.891 10 0 AFAERN C=Cc1[nH]nc(-c2ccccc2)c1C=O 238139076 572940188 /nfs/dbraw/zinc/94/01/88/572940188.db2.gz VQSNTUZHRKDBIS-UHFFFAOYSA-N 0 0 198.225 2.532 10 0 AFAERN CCCC[C@@H]1CCc2c(ncn2C)C1 76087310 572940224 /nfs/dbraw/zinc/94/02/24/572940224.db2.gz VRJYCUCUFIKEBC-SNVBAGLBSA-N 0 0 192.306 2.715 10 0 AFAERN Cc1cc(F)cc([C@@H](O)C(C)C)c1 86692726 573576785 /nfs/dbraw/zinc/57/67/85/573576785.db2.gz XINXYUKGHRRDHS-NSHDSACASA-N 0 0 182.238 2.824 10 0 AFAERN C/C=C/C(=O)OCC/C=C/CCC 308209911 572941424 /nfs/dbraw/zinc/94/14/24/572941424.db2.gz FWGVVBALFUPELW-PIAAQLDDSA-N 0 0 182.263 2.852 10 0 AFAERN C/C=C(/C)C(=O)N[C@@H](CC)C(C)C 308209578 572941507 /nfs/dbraw/zinc/94/15/07/572941507.db2.gz FPSXZMOZGFRCRM-MBACFSSFSA-N 0 0 183.295 2.503 10 0 AFAERN CCC[C@H](C)NN1[C@@H](C)CCC[C@@H]1C 214042756 572947921 /nfs/dbraw/zinc/94/79/21/572947921.db2.gz MVWGUTXPCUNMEY-SRVKXCTJSA-N 0 0 198.354 2.943 10 0 AFAERN CCCC(Cl)(CO)CCC 144391600 573576821 /nfs/dbraw/zinc/57/68/21/573576821.db2.gz BEXWPMNCRUIDCZ-UHFFFAOYSA-N 0 0 164.676 2.557 10 0 AFAERN CC[C@H](C)OCC[C@@H]1CCCC1=O 86531907 572949701 /nfs/dbraw/zinc/94/97/01/572949701.db2.gz GVAUCBVXCWXKPZ-UWVGGRQHSA-N 0 0 184.279 2.561 10 0 AFAERN O=C1CCC[C@H]1CCOC1CCCC1 86531704 572950161 /nfs/dbraw/zinc/95/01/61/572950161.db2.gz VYEQRYJBLNWOSO-JTQLQIEISA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)OCC(=O)[C@H]1CCC[C@H](C)C1 86521478 572952798 /nfs/dbraw/zinc/95/27/98/572952798.db2.gz UOLHNZGMPSGJDT-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN CCOc1ccc(-c2cocn2)cc1 58520836 572952809 /nfs/dbraw/zinc/95/28/09/572952809.db2.gz MTMFZQMFYCIUDV-UHFFFAOYSA-N 0 0 189.214 2.740 10 0 AFAERN COc1c(C)ccc(NC2CC2)c1C 234934979 572952827 /nfs/dbraw/zinc/95/28/27/572952827.db2.gz RWBLHYAQYVXMGJ-UHFFFAOYSA-N 0 0 191.274 2.886 10 0 AFAERN c1coc(C2CCCCC2)n1 58517587 572952836 /nfs/dbraw/zinc/95/28/36/572952836.db2.gz RNKBATRGGUHWMU-UHFFFAOYSA-N 0 0 151.209 2.722 10 0 AFAERN CCCCCC[C@H](O)COC(C)C 86519911 572952854 /nfs/dbraw/zinc/95/28/54/572952854.db2.gz SXUJTKIGURVSJN-NSHDSACASA-N 0 0 188.311 2.743 10 0 AFAERN Cc1cccc(-c2ocnc2C)c1 58518550 572952877 /nfs/dbraw/zinc/95/28/77/572952877.db2.gz NISFHAQXBAYVKT-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN C[C@H]1C=CC[C@H]2CC[C@@H](C)C(=O)[C@@H]12 238444732 573576902 /nfs/dbraw/zinc/57/69/02/573576902.db2.gz ZDJBDBYRGVXIOH-VLEAKVRGSA-N 0 0 178.275 2.814 10 0 AFAERN C[C@@H]1CCC=C2CCC[C@]21CCO 238442583 573585487 /nfs/dbraw/zinc/58/54/87/573585487.db2.gz DSZWJOGFNGYPEH-ZYHUDNBSSA-N 0 0 180.291 2.895 10 0 AFAERN c1csc(Oc2cnoc2)c1 258799250 573585499 /nfs/dbraw/zinc/58/54/99/573585499.db2.gz YAIIOMLKYWDCKQ-UHFFFAOYSA-N 0 0 167.189 2.528 10 0 AFAERN CCC[C@@H](C)CC[C@H](C)O 51323654 572961009 /nfs/dbraw/zinc/96/10/09/572961009.db2.gz IWFICVXFFNDWOJ-BDAKNGLRSA-N 0 0 144.258 2.584 10 0 AFAERN CC(C)(C)c1n[nH]c2ccc(F)cc12 76190270 572961037 /nfs/dbraw/zinc/96/10/37/572961037.db2.gz SZWGIHPYTNWHIU-UHFFFAOYSA-N 0 0 192.237 3.000 10 0 AFAERN COc1ccc(OC2CCC2)cc1 199809735 572966806 /nfs/dbraw/zinc/96/68/06/572966806.db2.gz SUTMBEFJCUHYDX-UHFFFAOYSA-N 0 0 178.231 2.627 10 0 AFAERN Cc1ccc(N)c(Nc2cc[nH]c2)c1 258798553 573585659 /nfs/dbraw/zinc/58/56/59/573585659.db2.gz NCISYPXWKDQXDC-UHFFFAOYSA-N 0 0 187.246 2.649 10 0 AFAERN C[C@@H]1C(=O)c2cccc3c2[C@@H]1CCC3 86717967 573585676 /nfs/dbraw/zinc/58/56/76/573585676.db2.gz YEXGPEALBWBNOD-WCBMZHEXSA-N 0 0 186.254 2.939 10 0 AFAERN Cc1ncc([C@@H](O)[C@@H](C)C2CC2)s1 687937050 572968045 /nfs/dbraw/zinc/96/80/45/572968045.db2.gz JQGJQQUBPIUFKS-WKEGUHRASA-N 0 0 197.303 2.531 10 0 AFAERN Cc1ncc([C@@H](O)[C@H](C)C2CC2)s1 687937044 572968105 /nfs/dbraw/zinc/96/81/05/572968105.db2.gz JQGJQQUBPIUFKS-LDWIPMOCSA-N 0 0 197.303 2.531 10 0 AFAERN CCC(CC)[C@@H](O)c1ccc(C)cn1 88136046 572968129 /nfs/dbraw/zinc/96/81/29/572968129.db2.gz MVXQMWVYCDGNOL-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CC(C)(O)CCCNc1ccccc1 238176902 572968147 /nfs/dbraw/zinc/96/81/47/572968147.db2.gz HZLQLCBKJGFTFC-UHFFFAOYSA-N 0 0 193.290 2.650 10 0 AFAERN Fc1ccc2[nH]cc(Cl)c2c1 113314241 572998839 /nfs/dbraw/zinc/99/88/39/572998839.db2.gz NUUOVUTXURLDIE-UHFFFAOYSA-N 0 0 169.586 2.960 10 0 AFAERN Cc1ccc(C(F)F)cc1C1(O)CC1 258209852 572998876 /nfs/dbraw/zinc/99/88/76/572998876.db2.gz ZIKIPZXNVZWGEP-UHFFFAOYSA-N 0 0 198.212 2.914 10 0 AFAERN CCCCCOC(=O)C[C@H]1C[C@@H]1C 308218532 572998878 /nfs/dbraw/zinc/99/88/78/572998878.db2.gz KGRNYKJRZGATMT-VHSXEESVSA-N 0 0 184.279 2.766 10 0 AFAERN CC=C=C[C@@]1(C)CCCCC1=O 238242023 572998891 /nfs/dbraw/zinc/99/88/91/572998891.db2.gz ZRDUHYXERLFZDY-BDBINITHSA-N 0 0 164.248 2.867 10 0 AFAERN O=Cc1cccc2ccn(CC3CC3)c12 258212071 572998913 /nfs/dbraw/zinc/99/89/13/572998913.db2.gz QMMBUNKGVBFQFK-UHFFFAOYSA-N 0 0 199.253 2.864 10 0 AFAERN CC=C=C([C@@H](O)C(C)C)[Si](C)(C)C 238240699 572998919 /nfs/dbraw/zinc/99/89/19/572998919.db2.gz CIGKGZWKUNVOJH-LYNSQETBSA-N 0 0 198.382 2.982 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1ccc(C)cn1 88136119 572968520 /nfs/dbraw/zinc/96/85/20/572968520.db2.gz WEBFFWPTMVRSQJ-SKDRFNHKSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1ccc(C)cn1 88136123 572968528 /nfs/dbraw/zinc/96/85/28/572968528.db2.gz WEBFFWPTMVRSQJ-BXKDBHETSA-N 0 0 193.290 2.860 10 0 AFAERN CCc1cc(-c2ccccn2)ccc1N 88125635 572968543 /nfs/dbraw/zinc/96/85/43/572968543.db2.gz UUUMGGLQUBOVKH-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CC(C)[C@H](C)C(=O)OC(C)(C)C 59243479 572968577 /nfs/dbraw/zinc/96/85/77/572968577.db2.gz LIBGJAFDTCSDFD-QMMMGPOBSA-N 0 0 172.268 2.620 10 0 AFAERN Cc1ccc(N(N=O)C(C)C)cc1 59381642 572970212 /nfs/dbraw/zinc/97/02/12/572970212.db2.gz YQFFGWVWRQOMQK-UHFFFAOYSA-N 0 0 178.235 2.891 10 0 AFAERN CCC1=C[C@H](O)C(C)(C)CC1 238242153 572998951 /nfs/dbraw/zinc/99/89/51/572998951.db2.gz KKJPTPRALNHUJW-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN OC[C@@H]1C[C@H]1c1cccc2ccccc12 88158144 572974826 /nfs/dbraw/zinc/97/48/26/572974826.db2.gz NFIXUAUEYGTBMK-SMDDNHRTSA-N 0 0 198.265 2.936 10 0 AFAERN CCCCC[C@@]1(C)C[C@@H]1CO 88158716 572974839 /nfs/dbraw/zinc/97/48/39/572974839.db2.gz NPQKGXOPJIXVMU-ZJUUUORDSA-N 0 0 156.269 2.585 10 0 AFAERN Nc1ccc2c(c1)CC[C@H]2n1cccc1 86731288 572974842 /nfs/dbraw/zinc/97/48/42/572974842.db2.gz GZJLTOISNBTHEX-CYBMUJFWSA-N 0 0 198.269 2.606 10 0 AFAERN Nc1ccc2c(c1)CC[C@@H]2n1cccc1 86731289 572974871 /nfs/dbraw/zinc/97/48/71/572974871.db2.gz GZJLTOISNBTHEX-ZDUSSCGKSA-N 0 0 198.269 2.606 10 0 AFAERN CCCCCC(F)(F)CCO 238186568 572974916 /nfs/dbraw/zinc/97/49/16/572974916.db2.gz OWEPZPQEKGJXCB-UHFFFAOYSA-N 0 0 166.211 2.584 10 0 AFAERN CC=C=C([C@H](O)C(C)C)[Si](C)(C)C 238240782 572999018 /nfs/dbraw/zinc/99/90/18/572999018.db2.gz CIGKGZWKUNVOJH-QHDYGNBISA-N 0 0 198.382 2.982 10 0 AFAERN COc1ccc(O)c2c1CC(C)(C)C2 59613238 572977034 /nfs/dbraw/zinc/97/70/34/572977034.db2.gz LOFBUBJUDFBNOS-UHFFFAOYSA-N 0 0 192.258 2.526 10 0 AFAERN CCCC/C=C/[C@@H](O)C1CC1 238192329 572977043 /nfs/dbraw/zinc/97/70/43/572977043.db2.gz ZCSJMAADJWJJOW-BRAIEQGRSA-N 0 0 154.253 2.504 10 0 AFAERN CCc1ccc(/C=C(/C)[N+](=O)[O-])s1 51716979 572977044 /nfs/dbraw/zinc/97/70/44/572977044.db2.gz BMXBTIPHUSHTEH-SREVYHEPSA-N 0 0 197.259 2.948 10 0 AFAERN CC=C=CC[C@@H](O)c1ccccc1 238241623 572998760 /nfs/dbraw/zinc/99/87/60/572998760.db2.gz TXWIDPTZNYLPRT-HGRUYCHISA-N 0 0 174.243 2.841 10 0 AFAERN C[C@H](Nc1ncns1)C1CCCC1 83669144 573587134 /nfs/dbraw/zinc/58/71/34/573587134.db2.gz LFJFHDVAKJXLAO-ZETCQYMHSA-N 0 0 197.307 2.529 10 0 AFAERN OC1(Cc2ccc(C3CC3)cc2)CC1 258211874 572999070 /nfs/dbraw/zinc/99/90/70/572999070.db2.gz ZLIHZLWMZGZEIM-UHFFFAOYSA-N 0 0 188.270 2.631 10 0 AFAERN CC[C@@H](NC(C)=O)c1ccccc1C 113272344 572999885 /nfs/dbraw/zinc/99/98/85/572999885.db2.gz LTVCAKKXWALKMG-GFCCVEGCSA-N 0 0 191.274 2.582 10 0 AFAERN C[C@H](F)c1ccccc1CC1(O)CC1 258211824 572999955 /nfs/dbraw/zinc/99/99/55/572999955.db2.gz ZJQPTIYSUJTJCQ-VIFPVBQESA-N 0 0 194.249 2.785 10 0 AFAERN CCOCc1cc2cccc(F)c2[nH]1 257918054 572999975 /nfs/dbraw/zinc/99/99/75/572999975.db2.gz QTHMPRSLHWWROC-UHFFFAOYSA-N 0 0 193.221 2.844 10 0 AFAERN C/C=C(/C)[C@H](OC)[C@@H](C)/C=C(\C)CO 224241855 573000000 /nfs/dbraw/zinc/00/00/00/573000000.db2.gz HEVNUWWWORREQN-DEUUNPGCSA-N 0 0 198.306 2.542 10 0 AFAERN CC=C=C[C@]1(C)CCCCC1=O 238242203 573000001 /nfs/dbraw/zinc/00/00/01/573000001.db2.gz ZRDUHYXERLFZDY-RGRLBOMHSA-N 0 0 164.248 2.867 10 0 AFAERN C[C@H](O)c1ccc2c(c1)C[C@@H](C)S2 257917774 573000060 /nfs/dbraw/zinc/00/00/60/573000060.db2.gz BVBSDPBURILWSH-SFYZADRCSA-N 0 0 194.299 2.777 10 0 AFAERN CCC(=O)c1ccc(C(C)C)o1 238242292 573000209 /nfs/dbraw/zinc/00/02/09/573000209.db2.gz BDSFZKXVSQUJRK-UHFFFAOYSA-N 0 0 166.220 2.996 10 0 AFAERN CCC1(C[C@H](O)[C@@H]2C[C@H]2C)CCC1 308219285 573000212 /nfs/dbraw/zinc/00/02/12/573000212.db2.gz BQBSNEIGONZNLI-MXWKQRLJSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1cccc2c1NCCC21CC1 257918488 573000254 /nfs/dbraw/zinc/00/02/54/573000254.db2.gz REYPPVBLZJJFFP-UHFFFAOYSA-N 0 0 173.259 2.842 10 0 AFAERN C[C@@H](F)c1ccccc1CC1(O)CC1 258211821 573000312 /nfs/dbraw/zinc/00/03/12/573000312.db2.gz ZJQPTIYSUJTJCQ-SECBINFHSA-N 0 0 194.249 2.785 10 0 AFAERN CC1=C2CCC(=O)[C@]2(C)C=CC=C1 238251559 573010214 /nfs/dbraw/zinc/01/02/14/573010214.db2.gz WGROLSLJHTTWFT-GFCCVEGCSA-N 0 0 174.243 2.798 10 0 AFAERN CC(=O)[C@]1(C)C=C(C)CCC1 238251432 573010254 /nfs/dbraw/zinc/01/02/54/573010254.db2.gz HCLURTLSOLUXOK-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN C[C@]1(/C=C/c2ccccc2)C[C@@H]1CO 238442640 573587239 /nfs/dbraw/zinc/58/72/39/573587239.db2.gz QZXOKZFPTMRGBX-NAISLTENSA-N 0 0 188.270 2.718 10 0 AFAERN C=CC1=C[C@H](C)[C@H](C(C)=O)CC1 238442359 573587245 /nfs/dbraw/zinc/58/72/45/573587245.db2.gz VRLDUSXJYXCVGK-GZMMTYOYSA-N 0 0 164.248 2.734 10 0 AFAERN Cc1cc(F)cc2c1C[C@H](C)C2=O 86717979 573587257 /nfs/dbraw/zinc/58/72/57/573587257.db2.gz RKUSWLHMJCZYTE-ZETCQYMHSA-N 0 0 178.206 2.509 10 0 AFAERN CCCC1([C@@H]([NH3+])C(F)F)CCC1 686125975 573587258 /nfs/dbraw/zinc/58/72/58/573587258.db2.gz HFJHLEUXZKPHMD-ZETCQYMHSA-N 0 0 177.238 2.549 10 0 AFAERN CCCC[C@@H](C)[C@H](O)C1CCC1 224401574 573013873 /nfs/dbraw/zinc/01/38/73/573013873.db2.gz NSQMIYRPAPACTD-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(Cl)c(NN)c(Cl)c1 104563232 573014052 /nfs/dbraw/zinc/01/40/52/573014052.db2.gz JCHCJUVKFAZHFX-UHFFFAOYSA-N 0 0 191.061 2.587 10 0 AFAERN CC1(C)[C@@]23CCCC[C@@]12CCC3=O 238253116 573014072 /nfs/dbraw/zinc/01/40/72/573014072.db2.gz KUQKHFFKMDQTPM-NEPJUHHUSA-N 0 0 178.275 2.936 10 0 AFAERN CC1=C[C@@]2(C)C(=O)CC[C@H]2CC1 238257036 573014097 /nfs/dbraw/zinc/01/40/97/573014097.db2.gz LMNQJRBJVNCIEX-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=CC2=CCC(=O)[C@]2(C)CC1 238257088 573014106 /nfs/dbraw/zinc/01/41/06/573014106.db2.gz XLHJKRNTFCRABB-LLVKDONJSA-N 0 0 162.232 2.632 10 0 AFAERN CC1=C2CCC[C@@]23CCCC(=O)[C@@H]13 238252541 573014161 /nfs/dbraw/zinc/01/41/61/573014161.db2.gz WFFUPWXIBJZPQM-VXGBXAGGSA-N 0 0 176.259 2.856 10 0 AFAERN Oc1cccc([C@H]2CC[C@@H](F)C2)c1 259595437 573014169 /nfs/dbraw/zinc/01/41/69/573014169.db2.gz CWMXCVASUCGIRD-VHSXEESVSA-N 0 0 180.222 2.998 10 0 AFAERN C[C@@H](c1ccoc1)N(C)CC(F)F 308224168 573014246 /nfs/dbraw/zinc/01/42/46/573014246.db2.gz DJCLEDRGSHYSOA-ZETCQYMHSA-N 0 0 189.205 2.538 10 0 AFAERN CCNc1ccc(C)cc1NCC 238252915 573014266 /nfs/dbraw/zinc/01/42/66/573014266.db2.gz FYSCJGUSNDPWID-UHFFFAOYSA-N 0 0 178.279 2.859 10 0 AFAERN CC1=C[C@@]2(C)C(=O)CC[C@@H]2CC1 238257024 573014389 /nfs/dbraw/zinc/01/43/89/573014389.db2.gz LMNQJRBJVNCIEX-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN C=CC1=CC[C@@H](Cc2c[nH]cn2)CC1 113611191 573014432 /nfs/dbraw/zinc/01/44/32/573014432.db2.gz PCNCQZTXYXHOFO-LLVKDONJSA-N 0 0 188.274 2.865 10 0 AFAERN C[C@H](/C=C\CO)Sc1ccccc1 213911789 573014553 /nfs/dbraw/zinc/01/45/53/573014553.db2.gz GAAKNYIADVELKC-WWQCOOJYSA-N 0 0 194.299 2.716 10 0 AFAERN CC(C)(C)Cc1ccc(CO)cc1 113652593 573014578 /nfs/dbraw/zinc/01/45/78/573014578.db2.gz RFKMIPBREOYMAD-UHFFFAOYSA-N 0 0 178.275 2.768 10 0 AFAERN CC1=C2CCC[C@]23CCCC(=O)[C@@H]13 238252689 573014585 /nfs/dbraw/zinc/01/45/85/573014585.db2.gz WFFUPWXIBJZPQM-NEPJUHHUSA-N 0 0 176.259 2.856 10 0 AFAERN Cc1cccc(OCCCCF)c1N 308476045 573014599 /nfs/dbraw/zinc/01/45/99/573014599.db2.gz DTUOIQOWSYCOBY-UHFFFAOYSA-N 0 0 197.253 2.706 10 0 AFAERN Cc1csc2cccnc12 113652866 573014612 /nfs/dbraw/zinc/01/46/12/573014612.db2.gz RHSSAEZVCVVURO-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN CC(C)[Si](C)(C(C)C)[C@H](C)O 198326786 573588222 /nfs/dbraw/zinc/58/82/22/573588222.db2.gz DQUCRQZKPBOAQG-SECBINFHSA-N 0 0 174.360 2.805 10 0 AFAERN CCC[C@@H](C)Cn1ccc(=O)c(C)c1 308641262 573588227 /nfs/dbraw/zinc/58/82/27/573588227.db2.gz DEFOOYXDPUNMJD-SNVBAGLBSA-N 0 0 193.290 2.593 10 0 AFAERN Clc1ccnnc1-c1ccccc1 82390197 573015528 /nfs/dbraw/zinc/01/55/28/573015528.db2.gz DHLWGBFFBZBBAJ-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN C[C@@H]1c2c(F)cccc2C(=O)[C@@H]1C 86718078 573588247 /nfs/dbraw/zinc/58/82/47/573588247.db2.gz TZCRXDOWIQPGOP-NKWVEPMBSA-N 0 0 178.206 2.762 10 0 AFAERN COc1cccc2c1[C@H](C)[C@@H](C)C2=O 86718280 573588293 /nfs/dbraw/zinc/58/82/93/573588293.db2.gz ZWECMONIXZSVMB-HTQZYQBOSA-N 0 0 190.242 2.631 10 0 AFAERN Cc1ccc2c(c1)[C@H](O)[C@@H](C)[C@@H]2C 86721652 573591403 /nfs/dbraw/zinc/59/14/03/573591403.db2.gz NBBXBTRXVNVXJC-HOTUBEGUSA-N 0 0 176.259 2.782 10 0 AFAERN CC/C=C/COC(=O)[C@H](C)C(C)C 308477373 573024879 /nfs/dbraw/zinc/02/48/79/573024879.db2.gz MGDXCDRGWPDNGL-VQCYPWCPSA-N 0 0 184.279 2.788 10 0 AFAERN O=Cc1nccc2cc(Cl)sc12 113677188 573024884 /nfs/dbraw/zinc/02/48/84/573024884.db2.gz LPAWZZGZIBKTEF-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN C[C@@H]1CCC[C@H](CC(=O)CCCO)C1 308477536 573024893 /nfs/dbraw/zinc/02/48/93/573024893.db2.gz JYUOFXUSSUTELO-MNOVXSKESA-N 0 0 198.306 2.544 10 0 AFAERN C/C=C(\C)C(=O)N(C)C(CC)CC 308227558 573024927 /nfs/dbraw/zinc/02/49/27/573024927.db2.gz NOBKZFFMJCGUTQ-RMKNXTFCSA-N 0 0 183.295 2.600 10 0 AFAERN CCC(=O)C[C@@H]1CC[C@@](C)(O)C1(C)C 113685538 573024931 /nfs/dbraw/zinc/02/49/31/573024931.db2.gz COQPXBJIRFFBKP-JOYOIKCWSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](F)COc1ccccc1F 308225508 573020037 /nfs/dbraw/zinc/02/00/37/573020037.db2.gz MWCZLAQZCDEJPB-QMMMGPOBSA-N 0 0 186.201 2.953 10 0 AFAERN O=C1CCCc2c(Cl)cccc2O1 258227859 573024978 /nfs/dbraw/zinc/02/49/78/573024978.db2.gz ZCWMHPOTKFTNGE-UHFFFAOYSA-N 0 0 196.633 2.582 10 0 AFAERN CC(=O)C[C@@H]1CCCC=C[C@@H]1C 238443567 573591367 /nfs/dbraw/zinc/59/13/67/573591367.db2.gz CKJBWSMWOSXIAA-ONGXEEELSA-N 0 0 166.264 2.958 10 0 AFAERN CCNC(=O)[C@H]1C(C)=CCCC1(C)C 238255001 573023557 /nfs/dbraw/zinc/02/35/57/573023557.db2.gz UQGFMSCNHRQMBF-SNVBAGLBSA-N 0 0 195.306 2.505 10 0 AFAERN CC1=CC=C2CCC(=O)[C@@]2(C)C=C1 238257255 573023565 /nfs/dbraw/zinc/02/35/65/573023565.db2.gz FCXKZMJOEUNFCS-LBPRGKRZSA-N 0 0 174.243 2.798 10 0 AFAERN Cc1ccc2c(c1)[C@@H](CCO)CS2 258229533 573023580 /nfs/dbraw/zinc/02/35/80/573023580.db2.gz WJYLMCXQBDJHIY-VIFPVBQESA-N 0 0 194.299 2.567 10 0 AFAERN C[C@@H]1CCCc2cc(C=O)ccc21 113684465 573023596 /nfs/dbraw/zinc/02/35/96/573023596.db2.gz QDPRAKWHYBQXGD-SECBINFHSA-N 0 0 174.243 2.939 10 0 AFAERN CCOc1c(C)ccc(C)c1C=O 238255331 573023602 /nfs/dbraw/zinc/02/36/02/573023602.db2.gz OGYNWUGFRUUNHS-UHFFFAOYSA-N 0 0 178.231 2.515 10 0 AFAERN CC1(C)CNc2c(F)cc(F)cc2N1 123458715 573023685 /nfs/dbraw/zinc/02/36/85/573023685.db2.gz TVISULAICDHIIQ-UHFFFAOYSA-N 0 0 198.216 2.581 10 0 AFAERN CCNC(=O)[C@H]1[C@@H](C)CCCC1(C)C 238255523 573024668 /nfs/dbraw/zinc/02/46/68/573024668.db2.gz WWERGYRCMHPVBG-VHSXEESVSA-N 0 0 197.322 2.585 10 0 AFAERN CCNC(=O)[C@H]1[C@H](C)CCCC1(C)C 238255544 573024726 /nfs/dbraw/zinc/02/47/26/573024726.db2.gz WWERGYRCMHPVBG-NXEZZACHSA-N 0 0 197.322 2.585 10 0 AFAERN Cc1noc(N)c1C1=CC[C@@H](C)CC1 85436327 573024789 /nfs/dbraw/zinc/02/47/89/573024789.db2.gz KICGIHKIZABKHL-SSDOTTSWSA-N 0 0 192.262 2.769 10 0 AFAERN CC[C@@H]1c2ccccc2[C@H](O)[C@@H]1C 86722037 573591396 /nfs/dbraw/zinc/59/13/96/573591396.db2.gz IHLICGWVGVZGSW-VDDIYKPWSA-N 0 0 176.259 2.863 10 0 AFAERN CCCCC[C@@H]1O[C@H](O)CC[C@@H]1C 308232335 573024992 /nfs/dbraw/zinc/02/49/92/573024992.db2.gz UBYPEUWANZYBOR-DCAQKATOSA-N 0 0 186.295 2.700 10 0 AFAERN Cc1cc(F)cc2cc(C=O)oc12 82397982 573025050 /nfs/dbraw/zinc/02/50/50/573025050.db2.gz PTHHFQKMZOFOIF-UHFFFAOYSA-N 0 0 178.162 2.693 10 0 AFAERN C[C@H]1CCNc2c(F)cc(F)cc2N1 123456213 573025060 /nfs/dbraw/zinc/02/50/60/573025060.db2.gz RLQYFSXAEJYMLK-LURJTMIESA-N 0 0 198.216 2.581 10 0 AFAERN Cc1cccc2cc(C(C)(C)O)[nH]c12 258202886 573025078 /nfs/dbraw/zinc/02/50/78/573025078.db2.gz OEQULUCTQDTRCV-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN CC/C=C/C(=O)N[C@H](C)[C@@H](C)CC 308229245 573025157 /nfs/dbraw/zinc/02/51/57/573025157.db2.gz OCKXJRABYUOQLT-ACMYFRETSA-N 0 0 183.295 2.503 10 0 AFAERN Cc1cccc(OCOC(C)C)c1 308229795 573027125 /nfs/dbraw/zinc/02/71/25/573027125.db2.gz SICFWQRXQSLZMH-UHFFFAOYSA-N 0 0 180.247 2.756 10 0 AFAERN CNc1cc(N)ccc1C(C)(C)C 113732312 573027142 /nfs/dbraw/zinc/02/71/42/573027142.db2.gz NEMWWLHDKWUXEE-UHFFFAOYSA-N 0 0 178.279 2.608 10 0 AFAERN CCCCC[C@@H]1O[C@@H](O)CC[C@@H]1C 308232337 573027227 /nfs/dbraw/zinc/02/72/27/573027227.db2.gz UBYPEUWANZYBOR-GARJFASQSA-N 0 0 186.295 2.700 10 0 AFAERN CCc1cc(CC)cc(OC)c1 78825283 573027231 /nfs/dbraw/zinc/02/72/31/573027231.db2.gz UERWPUSAZSDOLW-UHFFFAOYSA-N 0 0 164.248 2.820 10 0 AFAERN FCCCOc1cc(F)cc(F)c1 308227618 573027245 /nfs/dbraw/zinc/02/72/45/573027245.db2.gz NQTNSVBDWDKDCC-UHFFFAOYSA-N 0 0 190.164 2.703 10 0 AFAERN Cc1ccccc1-c1ccncc1N 82393239 573027288 /nfs/dbraw/zinc/02/72/88/573027288.db2.gz HZQQQDFNXAQFDO-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC/C=C\COC(=O)[C@H](C)C(C)C 308477372 573027312 /nfs/dbraw/zinc/02/73/12/573027312.db2.gz MGDXCDRGWPDNGL-JYESYGNLSA-N 0 0 184.279 2.788 10 0 AFAERN Cc1cnc(SC(C)(C)C)c(N)c1 85426630 573027383 /nfs/dbraw/zinc/02/73/83/573027383.db2.gz MIDZKWMLKWPWGI-UHFFFAOYSA-N 0 0 196.319 2.863 10 0 AFAERN CC(C)c1cnc2[nH]ccc2c1 113769641 573027467 /nfs/dbraw/zinc/02/74/67/573027467.db2.gz ADTDLVKTUGQOCC-UHFFFAOYSA-N 0 0 160.220 2.686 10 0 AFAERN CCCCC[C@@H]1O[C@@H](O)CC[C@H]1C 308232339 573027517 /nfs/dbraw/zinc/02/75/17/573027517.db2.gz UBYPEUWANZYBOR-OUAUKWLOSA-N 0 0 186.295 2.700 10 0 AFAERN CCC[C@H](C)C(=O)OCC1(C)CC1 308227617 573027536 /nfs/dbraw/zinc/02/75/36/573027536.db2.gz NQRSWASPMCLZID-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN CC[C@@H](C)C(=O)c1cnccc1C 85440846 573029954 /nfs/dbraw/zinc/02/99/54/573029954.db2.gz NHHCYNWJRBOZDV-MRVPVSSYSA-N 0 0 177.247 2.619 10 0 AFAERN CCNc1cscc1NCC 238256627 573029970 /nfs/dbraw/zinc/02/99/70/573029970.db2.gz XCRGAMYGWHSOMF-UHFFFAOYSA-N 0 0 170.281 2.612 10 0 AFAERN CC/C=C\COC(=O)[C@@H](C)C(C)C 308477371 573028621 /nfs/dbraw/zinc/02/86/21/573028621.db2.gz MGDXCDRGWPDNGL-GFVADAIESA-N 0 0 184.279 2.788 10 0 AFAERN CC1=C[C@@H](O)CCC12CCCC2 238248292 573028638 /nfs/dbraw/zinc/02/86/38/573028638.db2.gz RNQFQCCYSFFLTR-JTQLQIEISA-N 0 0 166.264 2.648 10 0 AFAERN CCCC1(C(=O)C2CCOCC2)CC1 308477504 573028676 /nfs/dbraw/zinc/02/86/76/573028676.db2.gz FKMQYQZCFAQDJR-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN Cc1ccc2ccccc2c1O 113734352 573028728 /nfs/dbraw/zinc/02/87/28/573028728.db2.gz OVRFMMLOGHJZLA-MRVPVSSYSA-N 0 0 158.200 2.532 10 0 AFAERN c1cc(NCC[C@@H]2CCCO2)cs1 82409797 573028761 /nfs/dbraw/zinc/02/87/61/573028761.db2.gz BTAPSDGXXWUFCU-JTQLQIEISA-N 0 0 197.303 2.729 10 0 AFAERN CC(C)Nc1ccsc1 82409702 573028885 /nfs/dbraw/zinc/02/88/85/573028885.db2.gz NUBJFCUDFFENRN-UHFFFAOYSA-N 0 0 141.239 2.568 10 0 AFAERN CC[C@H](F)COC(=O)C(C)(C)CC 308478068 573028988 /nfs/dbraw/zinc/02/89/88/573028988.db2.gz MLIQLYKVSJSODB-QMMMGPOBSA-N 0 0 190.258 2.714 10 0 AFAERN CC[C@@H](F)COC(=O)C(C)(C)CC 308478064 573029032 /nfs/dbraw/zinc/02/90/32/573029032.db2.gz MLIQLYKVSJSODB-MRVPVSSYSA-N 0 0 190.258 2.714 10 0 AFAERN CC1=C[C@](C)(C(F)(F)F)CC[C@H]1O 238256188 573029033 /nfs/dbraw/zinc/02/90/33/573029033.db2.gz KUSPOKRVRQQRAH-HTQZYQBOSA-N 0 0 194.196 2.656 10 0 AFAERN C[C@@H]1CCC[C@@H](CC(=O)CCCO)C1 308477533 573029039 /nfs/dbraw/zinc/02/90/39/573029039.db2.gz JYUOFXUSSUTELO-GHMZBOCLSA-N 0 0 198.306 2.544 10 0 AFAERN CC1=C[C@@H](O)Sc2ccc(C)cc21 238248517 573029892 /nfs/dbraw/zinc/02/98/92/573029892.db2.gz BWFIXMLNWBXYTG-NSHDSACASA-N 0 0 192.283 2.822 10 0 AFAERN CC1CC(OC(=O)[C@H](C)C(C)C)C1 308230684 573030046 /nfs/dbraw/zinc/03/00/46/573030046.db2.gz GMWPLCHCIGRFAE-HWOCKDDLSA-N 0 0 184.279 2.620 10 0 AFAERN CC[C@@H](C)Nc1ccsc1 82409692 573030068 /nfs/dbraw/zinc/03/00/68/573030068.db2.gz ONGSZFYGDBIILC-SSDOTTSWSA-N 0 0 155.266 2.959 10 0 AFAERN CONCc1cc(C)cc(C)c1Cl 258231163 573030128 /nfs/dbraw/zinc/03/01/28/573030128.db2.gz VWXLFJKLOAIFIN-UHFFFAOYSA-N 0 0 199.681 2.608 10 0 AFAERN CCc1cccc(C2CC2)c1C=O 113810203 573030255 /nfs/dbraw/zinc/03/02/55/573030255.db2.gz DEWLUVWSRKBXFO-UHFFFAOYSA-N 0 0 174.243 2.939 10 0 AFAERN CC(C)[C@H]([NH3+])c1ccccc1[S-] 104578629 573030345 /nfs/dbraw/zinc/03/03/45/573030345.db2.gz GNVBRONMPSBNDG-JTQLQIEISA-N 0 0 181.304 2.631 10 0 AFAERN C[C@H](OC(=O)C1(C)CCC1)C1CC1 308229927 573030370 /nfs/dbraw/zinc/03/03/70/573030370.db2.gz GDKGBRMNZNEPPO-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN CCC[C@H](O)c1cccc(Cl)c1N 257931640 573031663 /nfs/dbraw/zinc/03/16/63/573031663.db2.gz ZSZVSKXYIXGDID-VIFPVBQESA-N 0 0 199.681 2.756 10 0 AFAERN CCNc1c(C)cc(C)c(N)c1C 238248862 573035157 /nfs/dbraw/zinc/03/51/57/573035157.db2.gz LAYYRMIEMNONGT-UHFFFAOYSA-N 0 0 178.279 2.626 10 0 AFAERN CC1(C)NC(=O)SC2=CCCC[C@H]21 238249257 573035289 /nfs/dbraw/zinc/03/52/89/573035289.db2.gz RZCPDMPVOSMSSL-SSDOTTSWSA-N 0 0 197.303 2.905 10 0 AFAERN CC(=O)c1cnc(C2CC2)n1C(C)C 75515783 573592039 /nfs/dbraw/zinc/59/20/39/573592039.db2.gz JTRYDMGGDANYNS-UHFFFAOYSA-N 0 0 192.262 2.544 10 0 AFAERN Cc1cc2c(c(C)c1F)[C@H](O)CCC2 83685758 573592053 /nfs/dbraw/zinc/59/20/53/573592053.db2.gz VHSJGINHKOJKDT-SNVBAGLBSA-N 0 0 194.249 2.812 10 0 AFAERN COc1cc(C)c(C)c(Cl)c1O 257937289 573051786 /nfs/dbraw/zinc/05/17/86/573051786.db2.gz UMAPPVPPUOQZNX-UHFFFAOYSA-N 0 0 186.638 2.671 10 0 AFAERN CC(C)CO[C@H]1CC(=O)C12CCCC2 85504794 573051836 /nfs/dbraw/zinc/05/18/36/573051836.db2.gz METMHPVZYCPFGV-NSHDSACASA-N 0 0 196.290 2.561 10 0 AFAERN CCC[C@@H](O)c1ccccc1NC 238262018 573051844 /nfs/dbraw/zinc/05/18/44/573051844.db2.gz OSCYTCPIDBZGOS-LLVKDONJSA-N 0 0 179.263 2.562 10 0 AFAERN C/C=C/COC(=O)C(C)(C)C(C)C 308249628 573051845 /nfs/dbraw/zinc/05/18/45/573051845.db2.gz AMACRCCMMJEDLI-VOTSOKGWSA-N 0 0 184.279 2.788 10 0 AFAERN C[C@@H](O)c1cccc2ccsc12 88038111 573051918 /nfs/dbraw/zinc/05/19/18/573051918.db2.gz ZTNIODIJPBYBRS-SSDOTTSWSA-N 0 0 178.256 2.955 10 0 AFAERN CC[C@H]1CCCC[C@@H]1OC1CC(=O)C1 85504652 573051922 /nfs/dbraw/zinc/05/19/22/573051922.db2.gz MLQWBPVURBGDKX-CABZTGNLSA-N 0 0 196.290 2.703 10 0 AFAERN CC[C@@H]1CCCC[C@H]1OC1CC(=O)C1 85504656 573051004 /nfs/dbraw/zinc/05/10/04/573051004.db2.gz MLQWBPVURBGDKX-BXKDBHETSA-N 0 0 196.290 2.703 10 0 AFAERN CC[C@@H]1[C@H](C(=O)OC)C12CCCCC2 259599088 573051080 /nfs/dbraw/zinc/05/10/80/573051080.db2.gz LZGWFGFUQBASQA-NXEZZACHSA-N 0 0 196.290 2.766 10 0 AFAERN C/C=C(/C)c1nc(CCCC)no1 308249779 573051092 /nfs/dbraw/zinc/05/10/92/573051092.db2.gz ASTUVJONWALWEJ-YVMONPNESA-N 0 0 180.251 2.835 10 0 AFAERN CC(C)[C@@H](C)OC(=O)[C@H](F)C(C)C 308248756 573051252 /nfs/dbraw/zinc/05/12/52/573051252.db2.gz GROSECARTRWDMM-RKDXNWHRSA-N 0 0 190.258 2.568 10 0 AFAERN CC/C=C(/C)C(=O)OCC[C@@H](C)F 308248899 573051269 /nfs/dbraw/zinc/05/12/69/573051269.db2.gz AMKOKKIEVAXQEW-BZJXQOFCSA-N 0 0 188.242 2.634 10 0 AFAERN C[C@@]1(COc2ccc(Cl)cc2)CO1 85501610 573051325 /nfs/dbraw/zinc/05/13/25/573051325.db2.gz SEECKGWUISFGCF-SNVBAGLBSA-N 0 0 198.649 2.508 10 0 AFAERN C=COc1ccccc1Br 85503383 573051389 /nfs/dbraw/zinc/05/13/89/573051389.db2.gz IKUHVORDAQYURJ-UHFFFAOYSA-N 0 0 199.047 2.971 10 0 AFAERN C=COc1ccc(C)cc1OC 85503336 573051394 /nfs/dbraw/zinc/05/13/94/573051394.db2.gz RIHMDNNGMQWJNY-UHFFFAOYSA-N 0 0 164.204 2.526 10 0 AFAERN CCN(CC)c1cc(Cl)ccc1O 238262288 573051442 /nfs/dbraw/zinc/05/14/42/573051442.db2.gz XAUBLGIBAAYKFP-UHFFFAOYSA-N 0 0 199.681 2.892 10 0 AFAERN Cc1coc2c([C@@H](C)O)cccc12 257936384 573051452 /nfs/dbraw/zinc/05/14/52/573051452.db2.gz DELIYIFULDTGIT-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN CCO[C@H]1CC(=O)C12CCCCCC2 85504490 573051493 /nfs/dbraw/zinc/05/14/93/573051493.db2.gz OKDSPCFYQUTQTC-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CCCCc1nc2ccc(C)nc2[nH]1 88037450 573051663 /nfs/dbraw/zinc/05/16/63/573051663.db2.gz ICACMUWUFCEQHS-UHFFFAOYSA-N 0 0 189.262 2.609 10 0 AFAERN CCO[C@@H]1CC(=O)C12CCCCCC2 85504486 573051670 /nfs/dbraw/zinc/05/16/70/573051670.db2.gz OKDSPCFYQUTQTC-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H](C)OC(=O)C[C@@H]1C=CCC1 308248732 573051724 /nfs/dbraw/zinc/05/17/24/573051724.db2.gz ZYPJIKDJMKWIHY-NXEZZACHSA-N 0 0 182.263 2.684 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]1OC1CCCC1 85504355 573051751 /nfs/dbraw/zinc/05/17/51/573051751.db2.gz GHMHGZITDUIRQS-VXGBXAGGSA-N 0 0 196.290 2.703 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@H]1OC1CCCC1 85504352 573052126 /nfs/dbraw/zinc/05/21/26/573052126.db2.gz GHMHGZITDUIRQS-NEPJUHHUSA-N 0 0 196.290 2.703 10 0 AFAERN CC[C@H](C)N(C)c1cccc(Cl)n1 82460924 573054279 /nfs/dbraw/zinc/05/42/79/573054279.db2.gz NXLUBHXNNQEDQT-QMMMGPOBSA-N 0 0 198.697 2.970 10 0 AFAERN Cc1cccc(CCC2(O)CCC2)c1 257936183 573057788 /nfs/dbraw/zinc/05/77/88/573057788.db2.gz HOGJCZNJPDZEIA-UHFFFAOYSA-N 0 0 190.286 2.843 10 0 AFAERN CC/C=C(\CCC)C(=O)OCCF 308240966 573057832 /nfs/dbraw/zinc/05/78/32/573057832.db2.gz STLRGMCCYOEYDT-WEVVVXLNSA-N 0 0 188.242 2.636 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1cccc(Cl)n1 82461545 573057862 /nfs/dbraw/zinc/05/78/62/573057862.db2.gz FZTPSMLSDDSRSR-RQJHMYQMSA-N 0 0 182.654 2.555 10 0 AFAERN CC/C=C\COC(=O)C1CCCC1 308240097 573057890 /nfs/dbraw/zinc/05/78/90/573057890.db2.gz SJJGVUZSDOLUJE-UTCJRWHESA-N 0 0 182.263 2.686 10 0 AFAERN CC1(C)C(=O)C[C@H]1OCC1CCCC1 85507283 573057920 /nfs/dbraw/zinc/05/79/20/573057920.db2.gz BQDXTFYYJNYSRY-LLVKDONJSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@]1(C)C(=O)CCC[C@H]1C 238274770 573057989 /nfs/dbraw/zinc/05/79/89/573057989.db2.gz IUCOSMIOBRUWJG-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H]1Cc2ccc(N)cc2N[C@H]1C 238274316 573057999 /nfs/dbraw/zinc/05/79/99/573057999.db2.gz BDVJXSYJEGOYOZ-DTWKUNHWSA-N 0 0 190.290 2.652 10 0 AFAERN CC/C=C(/CCC)C(=O)OCCF 308240965 573058030 /nfs/dbraw/zinc/05/80/30/573058030.db2.gz STLRGMCCYOEYDT-UITAMQMPSA-N 0 0 188.242 2.636 10 0 AFAERN CC[C@@H]1Cc2ccc(N)cc2N[C@@H]1C 238274284 573058112 /nfs/dbraw/zinc/05/81/12/573058112.db2.gz BDVJXSYJEGOYOZ-RKDXNWHRSA-N 0 0 190.290 2.652 10 0 AFAERN CCCCc1ccc(CC)[nH]1 238263378 573058124 /nfs/dbraw/zinc/05/81/24/573058124.db2.gz KCNMQHDPWFHNEY-UHFFFAOYSA-N 0 0 151.253 2.920 10 0 AFAERN C[C@H]1C[C@@H]1Nc1cccc(Cl)n1 82461547 573058134 /nfs/dbraw/zinc/05/81/34/573058134.db2.gz FZTPSMLSDDSRSR-BQBZGAKWSA-N 0 0 182.654 2.555 10 0 AFAERN C/C=C1\CC[C@]2(CO)[C@@H]3CCC[C@@H]3[C@H]12 308632135 573595114 /nfs/dbraw/zinc/59/51/14/573595114.db2.gz VPXCWUXLSVXVCD-LUCWXRCLSA-N 0 0 192.302 2.751 10 0 AFAERN C[C@@H]1C[C@H](O)Nc2cc(Cl)ccc21 238455240 573595135 /nfs/dbraw/zinc/59/51/35/573595135.db2.gz XBFBEUUIVBAWJX-LDWIPMOCSA-N 0 0 197.665 2.578 10 0 AFAERN C[C@H]1C[C@@H](C)c2cccc(O)c2N1 238455353 573595150 /nfs/dbraw/zinc/59/51/50/573595150.db2.gz OYXRKHLGWPVTLY-SFYZADRCSA-N 0 0 177.247 2.700 10 0 AFAERN CC1=C[C@H]2C(=O)C[C@H](C)[C@@H]2CC1 238456439 573595184 /nfs/dbraw/zinc/59/51/84/573595184.db2.gz DVUSAICUGFKHDX-LPEHRKFASA-N 0 0 164.248 2.568 10 0 AFAERN C[C@@H]1CC(=O)[C@H](C2CCCC2)C1 238455673 573595214 /nfs/dbraw/zinc/59/52/14/573595214.db2.gz JKZULBINKJEHDJ-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)C/C=C\[C@@H](C)CCO 224687442 573063132 /nfs/dbraw/zinc/06/31/32/573063132.db2.gz HEYRSGHYVQZBLL-AYYIZTPMSA-N 0 0 156.269 2.607 10 0 AFAERN C1=CO[C@@H](CNc2ccsc2)CC1 85527585 573063147 /nfs/dbraw/zinc/06/31/47/573063147.db2.gz ZFQQBBRLCFDOQQ-SNVBAGLBSA-N 0 0 195.287 2.853 10 0 AFAERN CCCCc1ccc(O)c(C)c1O 238264009 573063206 /nfs/dbraw/zinc/06/32/06/573063206.db2.gz QQGBRZRLYANXPA-UHFFFAOYSA-N 0 0 180.247 2.749 10 0 AFAERN CC[C@@H]1CCc2ccc(O)cc2N1 238264417 573063450 /nfs/dbraw/zinc/06/34/50/573063450.db2.gz MLIKYOGGLOWMRQ-SECBINFHSA-N 0 0 177.247 2.529 10 0 AFAERN C[C@H]1[C@@H](C)[C@]23CCC[C@]12C(=O)CC3 238456113 573595246 /nfs/dbraw/zinc/59/52/46/573595246.db2.gz CWQJPTHKWHCBSS-RBLKWDMZSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@H](OC(=O)CCC1CC1)C1CC1 308251847 573081291 /nfs/dbraw/zinc/08/12/91/573081291.db2.gz HXYYOTIAPGSHHC-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN CC[C@H](C)Nc1nc(Cl)ncc1C 82501496 573081371 /nfs/dbraw/zinc/08/13/71/573081371.db2.gz NQUMRVYUEVPPQA-ZETCQYMHSA-N 0 0 199.685 2.649 10 0 AFAERN CCC[C@H](C)[C@H](C)OC(=O)C1CC1 308247106 573069078 /nfs/dbraw/zinc/06/90/78/573069078.db2.gz XBIDXYDQTPNFEK-IUCAKERBSA-N 0 0 184.279 2.764 10 0 AFAERN c1cc(NC[C@H]2CCCCO2)cs1 85534636 573069083 /nfs/dbraw/zinc/06/90/83/573069083.db2.gz KOJBOZGBVXLBGQ-SNVBAGLBSA-N 0 0 197.303 2.729 10 0 AFAERN C[C@@H]1C[C@@H](Nc2ccsc2)CCO1 85529036 573069099 /nfs/dbraw/zinc/06/90/99/573069099.db2.gz SDKQGQVKWLBSFO-BDAKNGLRSA-N 0 0 197.303 2.728 10 0 AFAERN c1cc(N[C@H]2CCCOCC2)cs1 85534473 573069115 /nfs/dbraw/zinc/06/91/15/573069115.db2.gz FVAGCTBYYTYFRG-VIFPVBQESA-N 0 0 197.303 2.729 10 0 AFAERN c1cc(NCC2CCOCC2)cs1 85527906 573069120 /nfs/dbraw/zinc/06/91/20/573069120.db2.gz SOFGOCHTPATXTH-UHFFFAOYSA-N 0 0 197.303 2.587 10 0 AFAERN C[C@@H](Nc1ccsc1)c1cc[nH]n1 85528128 573069168 /nfs/dbraw/zinc/06/91/68/573069168.db2.gz GCSRRWCINNWSOO-SSDOTTSWSA-N 0 0 193.275 2.644 10 0 AFAERN CC[C@]1(C)CC=C(CO)CC1 238267938 573072156 /nfs/dbraw/zinc/07/21/56/573072156.db2.gz FLZSBZQMUDNEPI-SNVBAGLBSA-N 0 0 154.253 2.505 10 0 AFAERN CCCc1c(C)[nH]c(C)c1C(C)=O 238268889 573072161 /nfs/dbraw/zinc/07/21/61/573072161.db2.gz NAZMWBSKNLBJPW-UHFFFAOYSA-N 0 0 179.263 2.787 10 0 AFAERN Cc1cccc2[nH]cc(C)c12 104614111 573072343 /nfs/dbraw/zinc/07/23/43/573072343.db2.gz SEZVAZUWAHPSAE-UHFFFAOYSA-N 0 0 145.205 2.785 10 0 AFAERN CC[C@@]1(C)CC=C(C)CC1=O 238267809 573072379 /nfs/dbraw/zinc/07/23/79/573072379.db2.gz USSRTAYFUPJHKH-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1ccc(C)c(F)c1 82503357 573081408 /nfs/dbraw/zinc/08/14/08/573081408.db2.gz VXDYNRAULRNSRN-WDEREUQCSA-N 0 0 192.233 2.827 10 0 AFAERN C[C@@H](CCC1CC1)NCC(F)(F)F 308251833 573081227 /nfs/dbraw/zinc/08/12/27/573081227.db2.gz HWXQVBIPFBMBOP-ZETCQYMHSA-N 0 0 195.228 2.717 10 0 AFAERN CCCc1cc(C)c(O)c(C(C)=O)c1 238275184 573088114 /nfs/dbraw/zinc/08/81/14/573088114.db2.gz FEWYGQBRORLXHI-UHFFFAOYSA-N 0 0 192.258 2.856 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1Cn1cccc1 717111180 573088296 /nfs/dbraw/zinc/08/82/96/573088296.db2.gz VFBLOKASYQVENH-WYUUTHIRSA-N 0 0 175.275 2.780 10 0 AFAERN CCCc1cc(C=O)c(C)s1 238275517 573088316 /nfs/dbraw/zinc/08/83/16/573088316.db2.gz MOMYLAVCIBGMPU-UHFFFAOYSA-N 0 0 168.261 2.822 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 82522868 573088383 /nfs/dbraw/zinc/08/83/83/573088383.db2.gz HFGPMZTXEOAABT-IUCAKERBSA-N 0 0 196.196 2.657 10 0 AFAERN Cc1ccc([N+](=O)[O-])c(C)c1Cl 114548267 573088436 /nfs/dbraw/zinc/08/84/36/573088436.db2.gz PENAZECQLVPOLV-UHFFFAOYSA-N 0 0 185.610 2.865 10 0 AFAERN Cn1ccc(CNc2ccsc2)c1 85604801 573088447 /nfs/dbraw/zinc/08/84/47/573088447.db2.gz UTRBWHAGFSFKOQ-UHFFFAOYSA-N 0 0 192.287 2.699 10 0 AFAERN CC[C@@H](C)Cn1cc(C)[nH]c1=S 88155056 573088448 /nfs/dbraw/zinc/08/84/48/573088448.db2.gz RATGHIHLOAZQQO-SSDOTTSWSA-N 0 0 184.308 2.900 10 0 AFAERN CC[C@H](C)NC(=S)C=C(C)C 238275508 573090071 /nfs/dbraw/zinc/09/00/71/573090071.db2.gz VGESQMLQTCDGRM-QMMMGPOBSA-N 0 0 171.309 2.668 10 0 AFAERN Cc1cccc(-c2c(N)noc2C)c1 82530086 573090194 /nfs/dbraw/zinc/09/01/94/573090194.db2.gz RFCGJEOBMBESEQ-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC[C@@H]1C[C@H](C)c2ccc(N)cc2N1 238273346 573090995 /nfs/dbraw/zinc/09/09/95/573090995.db2.gz MZSIJFKVKMBNQC-WCBMZHEXSA-N 0 0 190.290 2.967 10 0 AFAERN Cc1cnc(Oc2ccccc2)cn1 114518412 573091006 /nfs/dbraw/zinc/09/10/06/573091006.db2.gz KYLZWEIJLBGIKQ-UHFFFAOYSA-N 0 0 186.214 2.577 10 0 AFAERN CC(C)[C@]1(c2cccs2)C[C@@H]1CO 88158146 573091069 /nfs/dbraw/zinc/09/10/69/573091069.db2.gz VGDZIRYBEWLEPS-MWLCHTKSSA-N 0 0 196.315 2.654 10 0 AFAERN O=Nc1cccc2[nH]ccc12 104625956 573091084 /nfs/dbraw/zinc/09/10/84/573091084.db2.gz KKKDAMALRJNCAL-UHFFFAOYSA-N 0 0 146.149 2.566 10 0 AFAERN CC(C)[C@@]1(c2ccccc2)C[C@H]1CO 88158077 573091128 /nfs/dbraw/zinc/09/11/28/573091128.db2.gz DZOFBAGXXDCQBH-QWHCGFSZSA-N 0 0 190.286 2.593 10 0 AFAERN Cc1cn(CC2CCC2)c(=S)[nH]1 88154510 573091186 /nfs/dbraw/zinc/09/11/86/573091186.db2.gz GLVASUFLUWBWSE-UHFFFAOYSA-N 0 0 182.292 2.654 10 0 AFAERN CC(C)=C[C@H](C)OC(=O)C(C)(C)C 308259700 573091343 /nfs/dbraw/zinc/09/13/43/573091343.db2.gz MUHQNFHQPCBXJN-VIFPVBQESA-N 0 0 184.279 2.930 10 0 AFAERN CCc1ccc([C@@H](C)C(C)=O)cc1 85662227 573103375 /nfs/dbraw/zinc/10/33/75/573103375.db2.gz JUJYJSVKXDEUPR-VIFPVBQESA-N 0 0 176.259 2.942 10 0 AFAERN CC(C)[C@@H](C)C(=O)OCC[C@H](C)F 308256568 573103381 /nfs/dbraw/zinc/10/33/81/573103381.db2.gz KYXGORMSJHAMGT-DTWKUNHWSA-N 0 0 190.258 2.570 10 0 AFAERN CC[C@H](C)c1cc(O)cc(O)c1C 238279199 573103383 /nfs/dbraw/zinc/10/33/83/573103383.db2.gz MDFDPOAJJAXYMU-ZETCQYMHSA-N 0 0 180.247 2.920 10 0 AFAERN CSc1ccc(N)cc1C(F)F 82565089 573103393 /nfs/dbraw/zinc/10/33/93/573103393.db2.gz WEHCQWGXZHUJBV-UHFFFAOYSA-N 0 0 189.230 2.928 10 0 AFAERN CC(C)[C@H](C)OC(=O)C[C@@H]1C[C@@H]1C 308256626 573103405 /nfs/dbraw/zinc/10/34/05/573103405.db2.gz LBVOANQWOLZSDJ-GUBZILKMSA-N 0 0 184.279 2.620 10 0 AFAERN CC(=O)[C@H]1CCC[C@@H](C)CC1 85662268 573103406 /nfs/dbraw/zinc/10/34/06/573103406.db2.gz STNXVJGWYAFWNA-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](O)[C@H](C)C[C@H](C)CC 114639404 573103424 /nfs/dbraw/zinc/10/34/24/573103424.db2.gz ZFQWGULPKOVVCS-BBBLOLIVSA-N 0 0 158.285 2.830 10 0 AFAERN CC[Si](CC)(CC)[C@@H]1CC1=O 238275343 573092541 /nfs/dbraw/zinc/09/25/41/573092541.db2.gz XNUNBXPBLRLJPS-SECBINFHSA-N 0 0 170.328 2.838 10 0 AFAERN CCn1cc(C)c2c(C=O)cccc21 258231489 573092566 /nfs/dbraw/zinc/09/25/66/573092566.db2.gz WNXDUFOKOJIIOR-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN CC[Si](CC)(CC)[C@H]1CC1=O 238275482 573092567 /nfs/dbraw/zinc/09/25/67/573092567.db2.gz XNUNBXPBLRLJPS-VIFPVBQESA-N 0 0 170.328 2.838 10 0 AFAERN CC[C@@H]1CCC(F)(F)C1 114541072 573092614 /nfs/dbraw/zinc/09/26/14/573092614.db2.gz NMFJOQGFPHDHRK-ZCFIWIBFSA-N 0 0 134.169 2.832 10 0 AFAERN CC/C=C(\OC(N)=O)c1ccccc1 308258318 573092665 /nfs/dbraw/zinc/09/26/65/573092665.db2.gz BTIDMFDMHLKZCL-POHAHGRESA-N 0 0 191.230 2.533 10 0 AFAERN Clc1cnc(-c2ccco2)o1 258478144 573092689 /nfs/dbraw/zinc/09/26/89/573092689.db2.gz IGSXSGVCHPSLKI-UHFFFAOYSA-N 0 0 169.567 2.588 10 0 AFAERN C[C@@H]1CC(C)(C)CC[C@@]12C[C@@H]2CO 88158178 573092721 /nfs/dbraw/zinc/09/27/21/573092721.db2.gz GIAUMNWBMWBIFL-CKYFFXLPSA-N 0 0 182.307 2.831 10 0 AFAERN CC[C@]1(c2ccc(C)cc2)C[C@H]1CO 88158713 573094288 /nfs/dbraw/zinc/09/42/88/573094288.db2.gz MIPJFABIRFGYHR-QWHCGFSZSA-N 0 0 190.286 2.655 10 0 AFAERN Cc1cc(C)c([C@@H]2C[C@@H]2CO)c(C)c1 88158923 573094769 /nfs/dbraw/zinc/09/47/69/573094769.db2.gz UHQRSOZVUUSDST-VXGBXAGGSA-N 0 0 190.286 2.708 10 0 AFAERN CC(=O)[C@H](C)c1ccc(C)c(C)c1 85662219 573103030 /nfs/dbraw/zinc/10/30/30/573103030.db2.gz BWOAHYHVBKOABM-JTQLQIEISA-N 0 0 176.259 2.996 10 0 AFAERN CC[C@@H]1Nc2cc(O)ccc2C[C@@H]1C 238278241 573103049 /nfs/dbraw/zinc/10/30/49/573103049.db2.gz UDFPCHGDMLLOTL-KWQFWETISA-N 0 0 191.274 2.775 10 0 AFAERN CC[C@@H]1Nc2cc(Cl)ccc2O1 238278139 573103057 /nfs/dbraw/zinc/10/30/57/573103057.db2.gz RVKMDALEJYCHGI-SECBINFHSA-N 0 0 183.638 2.880 10 0 AFAERN CC1(C)[C@H](O)C[C@@H]1c1ccc(F)cc1 88179199 573103082 /nfs/dbraw/zinc/10/30/82/573103082.db2.gz SUARFSAHJRFBEW-GHMZBOCLSA-N 0 0 194.249 2.700 10 0 AFAERN CCC1(CC)C(=O)[C@H]2CCC[C@H]21 88183618 573103151 /nfs/dbraw/zinc/10/31/51/573103151.db2.gz PZFOLOKGBUMUSU-DTWKUNHWSA-N 0 0 166.264 2.792 10 0 AFAERN CCCNc1nc(C)nc(Cl)c1C 82565492 573103169 /nfs/dbraw/zinc/10/31/69/573103169.db2.gz IJVQEEAPCACCHV-UHFFFAOYSA-N 0 0 199.685 2.569 10 0 AFAERN C[C@@H]1C(=O)c2sccc2[C@H]1C 114643887 573103307 /nfs/dbraw/zinc/10/33/07/573103307.db2.gz KWGXHAKFXRZDCB-WDSKDSINSA-N 0 0 166.245 2.684 10 0 AFAERN CCNc1ccc(N)cc1C(F)F 82564961 573103332 /nfs/dbraw/zinc/10/33/32/573103332.db2.gz UJPSNQFVMMCOCH-UHFFFAOYSA-N 0 0 186.205 2.638 10 0 AFAERN CC1(C)[C@@H](O)C[C@@H]1c1ccc(F)cc1 88179197 573103350 /nfs/dbraw/zinc/10/33/50/573103350.db2.gz SUARFSAHJRFBEW-MNOVXSKESA-N 0 0 194.249 2.700 10 0 AFAERN CC[C@@H]1Nc2ccccc2[C@@]1(C)OC 238278787 573103354 /nfs/dbraw/zinc/10/33/54/573103354.db2.gz VEBPATCGCMJQFT-NWDGAFQWSA-N 0 0 191.274 2.752 10 0 AFAERN CC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 85662338 573106896 /nfs/dbraw/zinc/10/68/96/573106896.db2.gz DVCWUZOIQAFFFV-HTQZYQBOSA-N 0 0 194.196 2.944 10 0 AFAERN CC(=O)[C@@H](C)c1c(F)cccc1F 85662437 573106929 /nfs/dbraw/zinc/10/69/29/573106929.db2.gz OGXKKYJXCGDGHH-ZCFIWIBFSA-N 0 0 184.185 2.657 10 0 AFAERN CC[C@@H]1C[C@@H]1c1ccccc1O 238280327 573107014 /nfs/dbraw/zinc/10/70/14/573107014.db2.gz GIFSCXSWLCFZRI-SCZZXKLOSA-N 0 0 162.232 2.906 10 0 AFAERN CC[C@H](C)C(=O)C1(OC)CCCC1 128745922 573121472 /nfs/dbraw/zinc/12/14/72/573121472.db2.gz FMRBTCIBQAYHNE-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN C[C@H](CO)c1cc2ccc(F)cc2o1 257946588 573121481 /nfs/dbraw/zinc/12/14/81/573121481.db2.gz RNGYMGWFLAOASR-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN Cc1ncccc1N[C@H](C)C1(C)CC1 85711691 573121520 /nfs/dbraw/zinc/12/15/20/573121520.db2.gz HHVJVNWDYRIADI-SNVBAGLBSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1csc2cc(CCO)ccc12 258233173 573115139 /nfs/dbraw/zinc/11/51/39/573115139.db2.gz WPCMZNJBSACFCX-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN CCSCc1ccc(C=O)s1 238286673 573115173 /nfs/dbraw/zinc/11/51/73/573115173.db2.gz LDJNCVVEQXPURY-UHFFFAOYSA-N 0 0 186.301 2.814 10 0 AFAERN Cc1[nH]c2c(F)cccc2c1C 82587590 573115234 /nfs/dbraw/zinc/11/52/34/573115234.db2.gz HNDIGDKYIIIPIO-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN Oc1ccc2c(c1)O[C@H]1CCCC[C@H]21 144021785 573118488 /nfs/dbraw/zinc/11/84/88/573118488.db2.gz IXHHBYOLRVJSLN-KOLCDFICSA-N 0 0 190.242 2.811 10 0 AFAERN CC[C@H](C)O[P@@](C)(=O)CC=O 238287667 573118489 /nfs/dbraw/zinc/11/84/89/573118489.db2.gz BTNMXXVJUDLZLG-MQXCBHGZSA-N 0 0 178.168 2.739 10 0 AFAERN CCc1n[nH]c(C2C(C)(C)C2(C)C)n1 85710034 573121395 /nfs/dbraw/zinc/12/13/95/573121395.db2.gz BXBDORFOZWAGQA-UHFFFAOYSA-N 0 0 193.294 2.517 10 0 AFAERN C[C@@H](CO)c1cc2ccc(F)cc2o1 257946591 573121403 /nfs/dbraw/zinc/12/14/03/573121403.db2.gz RNGYMGWFLAOASR-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN Cc1[nH]c2ccccc2c1-c1cc[nH]n1 259328356 573106869 /nfs/dbraw/zinc/10/68/69/573106869.db2.gz SCJNDALTPZCKHO-UHFFFAOYSA-N 0 0 197.241 2.866 10 0 AFAERN CC[C@@H](C)CC(=O)C1(OC)CCCC1 128748218 573122337 /nfs/dbraw/zinc/12/23/37/573122337.db2.gz NAPUAWGXOGBSCP-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN Nc1cc(C2CCC2)cnc1Cl 257950483 573128475 /nfs/dbraw/zinc/12/84/75/573128475.db2.gz WCPMISWYYLRDNT-UHFFFAOYSA-N 0 0 182.654 2.585 10 0 AFAERN CSc1ccc([C@H](C)O)cc1F 82617034 573128493 /nfs/dbraw/zinc/12/84/93/573128493.db2.gz QIPPBXHTZLCUBA-LURJTMIESA-N 0 0 186.251 2.601 10 0 AFAERN CC[C@@]12CCCC[C@@H]1CC(=O)C2 238282415 573128508 /nfs/dbraw/zinc/12/85/08/573128508.db2.gz AYNPMKCEGKLFCV-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H](O)c1cccc2c1SC[C@@H]2C 257950641 573128513 /nfs/dbraw/zinc/12/85/13/573128513.db2.gz FEUSZOPDTKGOHJ-JGVFFNPUSA-N 0 0 194.299 2.949 10 0 AFAERN CNc1sc(CC(C)C)nc1C 259334112 573128729 /nfs/dbraw/zinc/12/87/29/573128729.db2.gz PFBBFDVUEJBUEV-UHFFFAOYSA-N 0 0 184.308 2.692 10 0 AFAERN CC[C@@H](O)/C=C/C=C(Cl)Cl 238282700 573129001 /nfs/dbraw/zinc/12/90/01/573129001.db2.gz MBDPOMJAOZYSBA-FCJGRKLLSA-N 0 0 181.062 2.633 10 0 AFAERN CC[C@@]12CCCC[C@H]1CC(=O)C2 238282488 573129011 /nfs/dbraw/zinc/12/90/11/573129011.db2.gz AYNPMKCEGKLFCV-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)(C)[C@]1(C)C=CC=C[C@@H]1O 141908382 573131252 /nfs/dbraw/zinc/13/12/52/573131252.db2.gz ZPRWCDITPUGNOB-GXSJLCMTSA-N 0 0 166.264 2.526 10 0 AFAERN Cc1cccn2cc(CC(C)C)nc12 257953154 573134224 /nfs/dbraw/zinc/13/42/24/573134224.db2.gz LFRNXZONZFBDQW-UHFFFAOYSA-N 0 0 188.274 2.841 10 0 AFAERN CC[C@@H]1C[C@H]2CCC[C@@]12C(C)=O 238283518 573134895 /nfs/dbraw/zinc/13/48/95/573134895.db2.gz DGKRVZAXSWMFPG-GMTAPVOTSA-N 0 0 166.264 2.792 10 0 AFAERN CCOc1cccc2c1[C@H](C)CC2=O 82617858 573134903 /nfs/dbraw/zinc/13/49/03/573134903.db2.gz DFBUUDLBYZZHJH-MRVPVSSYSA-N 0 0 190.242 2.775 10 0 AFAERN OC[C@H](F)CC1CCCCCC1 257951882 573134912 /nfs/dbraw/zinc/13/49/12/573134912.db2.gz WINUWFSCIDYKQS-SNVBAGLBSA-N 0 0 174.259 2.677 10 0 AFAERN CNc1nc(CC2CCCC2)c(C)o1 258536499 573134927 /nfs/dbraw/zinc/13/49/27/573134927.db2.gz HUVZDZHBLKTVSL-UHFFFAOYSA-N 0 0 194.278 2.757 10 0 AFAERN CC(C)(C)Cc1ccc(F)nc1 114853187 573134955 /nfs/dbraw/zinc/13/49/55/573134955.db2.gz QBGYCAFIOIUMBO-UHFFFAOYSA-N 0 0 167.227 2.809 10 0 AFAERN CC1(Cn2cccc2C=O)CCCC1 82625733 573134958 /nfs/dbraw/zinc/13/49/58/573134958.db2.gz UTOWIYWADYPJCF-UHFFFAOYSA-N 0 0 191.274 2.881 10 0 AFAERN CC[C@@]12CC[C@]1(C)CCC2=O 238283592 573134962 /nfs/dbraw/zinc/13/49/62/573134962.db2.gz CEIOUPBJHRFWRU-UWVGGRQHSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@@H]1C[C@H](O)c2cc(C)ccc21 82618443 573134967 /nfs/dbraw/zinc/13/49/67/573134967.db2.gz MVDYHZYKRDCXSB-SKDRFNHKSA-N 0 0 176.259 2.926 10 0 AFAERN Cc1ccc(C)n1Cc1cscn1 82626583 573134982 /nfs/dbraw/zinc/13/49/82/573134982.db2.gz QMQULXKVIWNGMZ-UHFFFAOYSA-N 0 0 192.287 2.610 10 0 AFAERN Cc1ccc2c(c1)[C@@H](O)C[C@@H]2C 82618480 573135017 /nfs/dbraw/zinc/13/50/17/573135017.db2.gz QHWAJMDIMOKSBJ-KWQFWETISA-N 0 0 162.232 2.536 10 0 AFAERN CCc1ccc(O)c2cc(O)ccc12 238284242 573135020 /nfs/dbraw/zinc/13/50/20/573135020.db2.gz AYUTZVSWTMSHHM-UHFFFAOYSA-N 0 0 188.226 2.813 10 0 AFAERN Cc1ccc(CC2CCC2)c(N)c1 257951855 573135063 /nfs/dbraw/zinc/13/50/63/573135063.db2.gz WHVMTXYMXNIBSS-UHFFFAOYSA-N 0 0 175.275 2.920 10 0 AFAERN CC[C@H]1C(=O)CC1(CC)CC 238283825 573135093 /nfs/dbraw/zinc/13/50/93/573135093.db2.gz WDYCFIDRRNMZJH-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN COc1ccc(C)c2c1[C@@H](C)C[C@H]2O 82618503 573135170 /nfs/dbraw/zinc/13/51/70/573135170.db2.gz NAPONBXQGOPIJX-DTWKUNHWSA-N 0 0 192.258 2.544 10 0 AFAERN Cc1ccc(CF)cc1CC1(O)CC1 257951712 573135171 /nfs/dbraw/zinc/13/51/71/573135171.db2.gz AYFOXEKPMBRYQI-UHFFFAOYSA-N 0 0 194.249 2.532 10 0 AFAERN CCn1cc(NC[C@@H](C)C(C)C)cn1 308504830 573150971 /nfs/dbraw/zinc/15/09/71/573150971.db2.gz DDKACRQNRROILW-SNVBAGLBSA-N 0 0 195.310 2.607 10 0 AFAERN Cc1ccc(C(=O)OC(C)(C)C)o1 82671055 573150987 /nfs/dbraw/zinc/15/09/87/573150987.db2.gz OTRXNVAXLQLSFI-UHFFFAOYSA-N 0 0 182.219 2.543 10 0 AFAERN C/C=C/COC(=O)C1(C)CCCC1 308288031 573151012 /nfs/dbraw/zinc/15/10/12/573151012.db2.gz FGUZJALHCWAFCN-ONEGZZNKSA-N 0 0 182.263 2.686 10 0 AFAERN CCn1ccc2cc([C@H](C)O)ccc21 257957113 573151016 /nfs/dbraw/zinc/15/10/16/573151016.db2.gz SGSHFFAJKOAETM-VIFPVBQESA-N 0 0 189.258 2.715 10 0 AFAERN O=Cc1cc(CF)sc1Cl 257956522 573137539 /nfs/dbraw/zinc/13/75/39/573137539.db2.gz WYDONZZTQANTDZ-UHFFFAOYSA-N 0 0 178.615 2.684 10 0 AFAERN Cc1cc(C2CCCC2)c(O)cc1N 114927868 573137657 /nfs/dbraw/zinc/13/76/57/573137657.db2.gz QDTMCWNYKZWNGW-UHFFFAOYSA-N 0 0 191.274 2.940 10 0 AFAERN CO[C@@H](C(=O)c1cccs1)C(C)C 131998805 573137671 /nfs/dbraw/zinc/13/76/71/573137671.db2.gz TYFBUHZBLJTBLM-SNVBAGLBSA-N 0 0 198.287 2.602 10 0 AFAERN Cc1cc(C)c(C2(O)CCC2)cc1C 85754320 573137696 /nfs/dbraw/zinc/13/76/96/573137696.db2.gz FRJABLXNWRRAAR-UHFFFAOYSA-N 0 0 190.286 2.983 10 0 AFAERN C[C@]12C=CC=C1[C@](C)(CO)CCC2 211571650 573137777 /nfs/dbraw/zinc/13/77/77/573137777.db2.gz KFQZKVYSJXQJKN-NEPJUHHUSA-N 0 0 178.275 2.671 10 0 AFAERN Cc1oc(C(C)(C)C)cc1[C@@H](C)[NH3+] 104660812 573140182 /nfs/dbraw/zinc/14/01/82/573140182.db2.gz OAPXUDHMYUALCW-SSDOTTSWSA-N 0 0 181.279 2.905 10 0 AFAERN Cc1cccc2c1CCC(=O)C2(C)C 259342708 573146926 /nfs/dbraw/zinc/14/69/26/573146926.db2.gz PEYSJNSNJJBQKT-UHFFFAOYSA-N 0 0 188.270 2.788 10 0 AFAERN CC(C)C[C@@H](C)C(=O)C[C@@H]1CCOC1 308503106 573146961 /nfs/dbraw/zinc/14/69/61/573146961.db2.gz XOXSGDRBFYNNHU-MNOVXSKESA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@H]1CCCC=C1C(=S)NC 238290294 573146976 /nfs/dbraw/zinc/14/69/76/573146976.db2.gz YKWBQYSXGGLHJG-QMMMGPOBSA-N 0 0 183.320 2.670 10 0 AFAERN CCn1c(Cl)cnc1C1CCC1 258539828 573146979 /nfs/dbraw/zinc/14/69/79/573146979.db2.gz NJLWBOLVUSPVAI-UHFFFAOYSA-N 0 0 184.670 2.824 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1C(C)(C)O 82658034 573146997 /nfs/dbraw/zinc/14/69/97/573146997.db2.gz PURSYZDYADPJRP-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN CCn1ccc2cc([C@@H](C)O)ccc21 257957108 573148674 /nfs/dbraw/zinc/14/86/74/573148674.db2.gz SGSHFFAJKOAETM-SECBINFHSA-N 0 0 189.258 2.715 10 0 AFAERN CCc1noc2c(Cl)cc(C)nc12 238292790 573151139 /nfs/dbraw/zinc/15/11/39/573151139.db2.gz ITSNLVKLYCUACU-UHFFFAOYSA-N 0 0 196.637 2.747 10 0 AFAERN CC(C)Cc1ccc(F)c(C=O)c1 82667915 573150903 /nfs/dbraw/zinc/15/09/03/573150903.db2.gz GFHTWZZJRGCOLY-UHFFFAOYSA-N 0 0 180.222 2.837 10 0 AFAERN CCc1c(OC)ccc2sncc12 238305589 573183304 /nfs/dbraw/zinc/18/33/04/573183304.db2.gz MCJQKTYRCWOIJP-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN O[C@H](CC[C@H]1C[C@H]1C1CC1)C1CC1 715536679 573161389 /nfs/dbraw/zinc/16/13/89/573161389.db2.gz SPZBAMDYUHQKOJ-SDDRHHMPSA-N 0 0 180.291 2.584 10 0 AFAERN C[C@H](Nn1cccc1)c1ccccc1 85828805 573161401 /nfs/dbraw/zinc/16/14/01/573161401.db2.gz IMCHXQUSGFKKNI-NSHDSACASA-N 0 0 186.258 2.793 10 0 AFAERN CCCCCNC(=O)/C=C\C(C)C 308285711 573161451 /nfs/dbraw/zinc/16/14/51/573161451.db2.gz AUNUNPLIKXSYPY-FPLPWBNLSA-N 0 0 183.295 2.505 10 0 AFAERN CC[C@H](O)[C@@H]1CC=C(C)C1(C)C 115096037 573161520 /nfs/dbraw/zinc/16/15/20/573161520.db2.gz OAOMPGIZMZXHLU-UWVGGRQHSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H](Nn1cccc1)c1ccccc1 85828807 573161542 /nfs/dbraw/zinc/16/15/42/573161542.db2.gz IMCHXQUSGFKKNI-LLVKDONJSA-N 0 0 186.258 2.793 10 0 AFAERN CC(C)Cc1cc(Cl)on1 82703793 573161551 /nfs/dbraw/zinc/16/15/51/573161551.db2.gz YAXTZXBCLVAGHU-UHFFFAOYSA-N 0 0 159.616 2.527 10 0 AFAERN C[C@H]1CCC[C@@H](CNn2cccc2)C1 85829131 573161593 /nfs/dbraw/zinc/16/15/93/573161593.db2.gz WQXXSLGEWSEVLV-NWDGAFQWSA-N 0 0 192.306 2.858 10 0 AFAERN CC[C@@H]1CC[C@H](Nn2cccc2)C1 85828968 573161601 /nfs/dbraw/zinc/16/16/01/573161601.db2.gz HAVOLWQDAHIGNE-MNOVXSKESA-N 0 0 178.279 2.610 10 0 AFAERN CCc1c(F)ccc2c1C(=O)CCC2 104684815 573183432 /nfs/dbraw/zinc/18/34/32/573183432.db2.gz HWZDAVSAZVIGLM-UHFFFAOYSA-N 0 0 192.233 2.907 10 0 AFAERN CC[C@@H](O)c1ccnc2ccccc12 82677487 573161858 /nfs/dbraw/zinc/16/18/58/573161858.db2.gz FPYRTKHJLOPGGV-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN CCSc1cc(O)cc(OC)c1 238298181 573164221 /nfs/dbraw/zinc/16/42/21/573164221.db2.gz WHZWCAMFHQGOHC-UHFFFAOYSA-N 0 0 184.260 2.513 10 0 AFAERN CC[C@]1(C)C[C@]12CC(C)(C)C2=O 238305764 573183454 /nfs/dbraw/zinc/18/34/54/573183454.db2.gz YXZLEFKRIKWXCG-MNOVXSKESA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@H](F)c1cccc(Cl)c1 257961072 573183463 /nfs/dbraw/zinc/18/34/63/573183463.db2.gz XKFIXZRAWDGGIZ-VIFPVBQESA-N 0 0 186.613 2.940 10 0 AFAERN CSC(=N)COc1cccc(C)c1 258570152 573177799 /nfs/dbraw/zinc/17/77/99/573177799.db2.gz GFEHSKRVSHFLAI-UHFFFAOYSA-N 0 0 195.287 2.714 10 0 AFAERN CCc1cc(C2CCC2)nc(Cl)n1 238305943 573183018 /nfs/dbraw/zinc/18/30/18/573183018.db2.gz UQCWNCYSZQPCEJ-UHFFFAOYSA-N 0 0 196.681 2.960 10 0 AFAERN c1ccc2c(c1)ncc1cc[nH]c12 104683640 573183071 /nfs/dbraw/zinc/18/30/71/573183071.db2.gz VNDWOJHEQHSSJU-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN CSc1ccc(C(F)(F)F)nc1 115333034 573183105 /nfs/dbraw/zinc/18/31/05/573183105.db2.gz ULSHUQURGMGRBX-UHFFFAOYSA-N 0 0 193.193 2.822 10 0 AFAERN CC[C@@]1(C)CC(C)=C[C@H](O)C1 238305144 573183118 /nfs/dbraw/zinc/18/31/18/573183118.db2.gz FSJCOKNYOJVXNM-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN CCSc1cccc(O)c1C 238305086 573183142 /nfs/dbraw/zinc/18/31/42/573183142.db2.gz IXXXOGOHWODWEB-UHFFFAOYSA-N 0 0 168.261 2.813 10 0 AFAERN C=Cc1cc(C)ccc1NC 104695860 573195365 /nfs/dbraw/zinc/19/53/65/573195365.db2.gz YBPBFNUDGUYGJG-UHFFFAOYSA-N 0 0 147.221 2.680 10 0 AFAERN CC[C@H](C)Cn1ccc(C2CC2)n1 308301169 573195369 /nfs/dbraw/zinc/19/53/69/573195369.db2.gz MAVXOAQLAFTZSQ-VIFPVBQESA-N 0 0 178.279 2.807 10 0 AFAERN CN1CC[C@H]2CCc3cccc1c32 238310275 573195381 /nfs/dbraw/zinc/19/53/81/573195381.db2.gz KFDYKGPFBCYQAI-SNVBAGLBSA-N 0 0 173.259 2.556 10 0 AFAERN CCc1cc(OC)c2sncc2c1 238310521 573195389 /nfs/dbraw/zinc/19/53/89/573195389.db2.gz LZMHMJZBPIDZTB-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN C=C/C=C/CCC(=O)c1ccoc1 225852735 573195393 /nfs/dbraw/zinc/19/53/93/573195393.db2.gz CQHHIWRRFQFWTK-ONEGZZNKSA-N 0 0 176.215 2.985 10 0 AFAERN CC1(n2cc[nH]c2=S)CCCC1 82785606 573195403 /nfs/dbraw/zinc/19/54/03/573195403.db2.gz CVUKVBTWQKXBNG-UHFFFAOYSA-N 0 0 182.292 2.835 10 0 AFAERN CCn1c(C2CCC2)cnc1Cl 258577740 573195438 /nfs/dbraw/zinc/19/54/38/573195438.db2.gz QKDQQDLDYSOKPF-UHFFFAOYSA-N 0 0 184.670 2.824 10 0 AFAERN CCC(=O)OC[C@@H]1C[C@@]1(C)C(C)C 308301965 573195466 /nfs/dbraw/zinc/19/54/66/573195466.db2.gz MIBTZHCMGCXEIE-ONGXEEELSA-N 0 0 184.279 2.622 10 0 AFAERN CCC(=O)[C@@H]1C=C(C)CCC1 224850174 573195478 /nfs/dbraw/zinc/19/54/78/573195478.db2.gz SXIJKKINNLORSI-VIFPVBQESA-N 0 0 152.237 2.712 10 0 AFAERN C=Cc1cc(C)c(Br)cn1 115415269 573195673 /nfs/dbraw/zinc/19/56/73/573195673.db2.gz GYISBWNGYQXZIC-UHFFFAOYSA-N 0 0 198.063 2.796 10 0 AFAERN CC[C@@]1(CO)CC=C(C)CC1 238310095 573195805 /nfs/dbraw/zinc/19/58/05/573195805.db2.gz PKPBAWYHCZFLEA-SNVBAGLBSA-N 0 0 154.253 2.505 10 0 AFAERN CCc1ccc(C)c([C@@H](C)CO)c1 257966079 573195848 /nfs/dbraw/zinc/19/58/48/573195848.db2.gz HRWMIJDVEZIKKY-JTQLQIEISA-N 0 0 178.275 2.653 10 0 AFAERN CC(C)=CCc1cc[nH]c1C 104693556 573195883 /nfs/dbraw/zinc/19/58/83/573195883.db2.gz YYYZKOMQZXQWAO-UHFFFAOYSA-N 0 0 149.237 2.832 10 0 AFAERN CCn1c(Cl)cnc1CC(C)C 258577830 573195922 /nfs/dbraw/zinc/19/59/22/573195922.db2.gz QLLPLYACFJFWBC-UHFFFAOYSA-N 0 0 186.686 2.755 10 0 AFAERN Cc1nnc(Cl)n1C1(C)CCCC1 82785705 573195982 /nfs/dbraw/zinc/19/59/82/573195982.db2.gz BROLAZBUTMCFPN-UHFFFAOYSA-N 0 0 199.685 2.529 10 0 AFAERN Cc1ccc([C@H](O)CC2CC2)c(F)c1 123812842 573196079 /nfs/dbraw/zinc/19/60/79/573196079.db2.gz BCQIYKBGLSBUJB-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN C/C=C(/C=C\c1nc(C)no1)CC 308308893 573211640 /nfs/dbraw/zinc/21/16/40/573211640.db2.gz PYQBCURYWPPURZ-WSISTYIOSA-N 0 0 178.235 2.748 10 0 AFAERN Cc1c(N)cccc1SC(F)F 85934460 573211704 /nfs/dbraw/zinc/21/17/04/573211704.db2.gz NRDODLGNNMOTSO-UHFFFAOYSA-N 0 0 189.230 2.892 10 0 AFAERN Cc1cc(C)c(CC2(O)CC2)cc1C 257970986 573211737 /nfs/dbraw/zinc/21/17/37/573211737.db2.gz CTXMIFTYVCIHEC-UHFFFAOYSA-N 0 0 190.286 2.679 10 0 AFAERN Nc1ccc(SCC2CC2)cc1F 85935661 573211767 /nfs/dbraw/zinc/21/17/67/573211767.db2.gz YMKJDJMNCWHMQD-UHFFFAOYSA-N 0 0 197.278 2.910 10 0 AFAERN Cc1cc2ccc([C@H](C)O)cc2[nH]1 257972241 573211792 /nfs/dbraw/zinc/21/17/92/573211792.db2.gz GMVWQPLNGIKAFR-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN C[C@H](O)C[C@H](C)c1ccc(F)cc1 82812211 573211825 /nfs/dbraw/zinc/21/18/25/573211825.db2.gz CNJYWTNRMJCZCD-IUCAKERBSA-N 0 0 182.238 2.700 10 0 AFAERN Cc1cccc([C@H](C)C[C@@H](C)O)c1 82811691 573211834 /nfs/dbraw/zinc/21/18/34/573211834.db2.gz VSIGXXJSTORRJR-GHMZBOCLSA-N 0 0 178.275 2.869 10 0 AFAERN C[C@@H](O)C[C@@H](C)c1cccs1 82811921 573211891 /nfs/dbraw/zinc/21/18/91/573211891.db2.gz JAIXROKSNSNESZ-HTQZYQBOSA-N 0 0 170.277 2.623 10 0 AFAERN CC[C@@H]1CCC(=O)[C@H](C)CC1 238307352 573211906 /nfs/dbraw/zinc/21/19/06/573211906.db2.gz HFXKPCNUWYTALL-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1ncc(C(=O)CC2CCC2)s1 235963956 573211943 /nfs/dbraw/zinc/21/19/43/573211943.db2.gz IDLNWFNDGKFRCE-UHFFFAOYSA-N 0 0 195.287 2.824 10 0 AFAERN Cc1ccccc1[C@@H](C)C[C@H](C)O 82812102 573211990 /nfs/dbraw/zinc/21/19/90/573211990.db2.gz BQKOJSSPBNJYRW-QWRGUYRKSA-N 0 0 178.275 2.869 10 0 AFAERN Cc1ncccc1NC[C@]1(C)C[C@@H]1C 714651079 573212078 /nfs/dbraw/zinc/21/20/78/573212078.db2.gz CVPWCUDMEYZVCQ-CABZTGNLSA-N 0 0 190.290 2.848 10 0 AFAERN Cc1ccc([C@H](C)C[C@H](C)O)cc1 82812221 573212094 /nfs/dbraw/zinc/21/20/94/573212094.db2.gz OPNHPFQSAFEZGG-MNOVXSKESA-N 0 0 178.275 2.869 10 0 AFAERN CC(C)c1ccccc1C1(O)CC1 257971481 573212126 /nfs/dbraw/zinc/21/21/26/573212126.db2.gz IKFZIUHABDPYJN-UHFFFAOYSA-N 0 0 176.259 2.791 10 0 AFAERN C/C=C(/CC)C(=O)O[C@H]1C=CCC1 308308858 573212134 /nfs/dbraw/zinc/21/21/34/573212134.db2.gz PWURCZPVQUTAKE-BNFOFFDWSA-N 0 0 180.247 2.605 10 0 AFAERN Cc1cc(C)c([C@@H](C)[C@H](C)O)c(F)c1 235533496 573212160 /nfs/dbraw/zinc/21/21/60/573212160.db2.gz SLJBMQCXXBWAKG-UWVGGRQHSA-N 0 0 196.265 2.927 10 0 AFAERN CCC[C@H](C)n1cc([C@@H](O)CC)cn1 233343478 573212177 /nfs/dbraw/zinc/21/21/77/573212177.db2.gz IANJGLHZLKYYSX-ONGXEEELSA-N 0 0 196.294 2.688 10 0 AFAERN CN1CC[C@@H]2CCc3cccc1c32 238307018 573212216 /nfs/dbraw/zinc/21/22/16/573212216.db2.gz KFDYKGPFBCYQAI-JTQLQIEISA-N 0 0 173.259 2.556 10 0 AFAERN C/C=C/C=C\CN1CCC=C(F)C1 308308825 573212350 /nfs/dbraw/zinc/21/23/50/573212350.db2.gz PVIGNFIPZWLAHV-IAROGAJJSA-N 0 0 181.254 2.678 10 0 AFAERN CCc1cc(CC)c2c(c1)OCO2 238307291 573212373 /nfs/dbraw/zinc/21/23/73/573212373.db2.gz SBNQFPJCEKYEFN-UHFFFAOYSA-N 0 0 178.231 2.540 10 0 AFAERN Cc1cnnc(NC2CCCCC2)c1 235974568 573212404 /nfs/dbraw/zinc/21/24/04/573212404.db2.gz OFCNKRRHIJUNJC-UHFFFAOYSA-N 0 0 191.278 2.530 10 0 AFAERN CCc1cc(F)c(F)c([C@H](C)O)c1 257971039 573212431 /nfs/dbraw/zinc/21/24/31/573212431.db2.gz CVIUPOITVBYSHH-LURJTMIESA-N 0 0 186.201 2.581 10 0 AFAERN Cc1ccc2cc(CON)sc2c1 257974256 573215596 /nfs/dbraw/zinc/21/55/96/573215596.db2.gz AIAROGJBFHSHCK-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN CSCc1nc2cc(F)ccc2[nH]1 82821804 573215610 /nfs/dbraw/zinc/21/56/10/573215610.db2.gz ZSFBGGPLHBJJMP-UHFFFAOYSA-N 0 0 196.250 2.565 10 0 AFAERN Cc1ccc(-c2ncc(Cl)n2C)o1 258586960 573214898 /nfs/dbraw/zinc/21/48/98/573214898.db2.gz RFRZDZKCMNQGMF-UHFFFAOYSA-N 0 0 196.637 2.642 10 0 AFAERN C[C@H](O)CC(C)(C)c1cccs1 82817150 573214928 /nfs/dbraw/zinc/21/49/28/573214928.db2.gz WKBKGKFEUKCHMX-QMMMGPOBSA-N 0 0 184.304 2.797 10 0 AFAERN O=C1CC[C@H](Sc2cccs2)C1 82819827 573214943 /nfs/dbraw/zinc/21/49/43/573214943.db2.gz PZGRAJLXTBCQTB-QMMMGPOBSA-N 0 0 198.312 2.962 10 0 AFAERN CCC[C@H](C)n1ccnc1CC 233343618 573215044 /nfs/dbraw/zinc/21/50/44/573215044.db2.gz ZGZPBHLAEHEOMY-VIFPVBQESA-N 0 0 166.268 2.807 10 0 AFAERN CCCS[C@H]1CCCC(=O)C1 82818384 573215118 /nfs/dbraw/zinc/21/51/18/573215118.db2.gz UXXVFXBGZWDXPG-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CC[C@]12CCCC[C@H]1C(=O)CC2 238313569 573215123 /nfs/dbraw/zinc/21/51/23/573215123.db2.gz YHENTUAOCFWXBC-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H](O)c1csc2ccc(O)cc12 257973720 573215227 /nfs/dbraw/zinc/21/52/27/573215227.db2.gz UOICPSKLFVVLTR-ZCFIWIBFSA-N 0 0 194.255 2.660 10 0 AFAERN CCOC(=O)/C=C/C[C@@H](C)CC 35854935 573215231 /nfs/dbraw/zinc/21/52/31/573215231.db2.gz IVILHIDILKFOIB-ORZBULNSSA-N 0 0 170.252 2.542 10 0 AFAERN F[C@@H]1CNc2cccc(Cl)c21 257974540 573215287 /nfs/dbraw/zinc/21/52/87/573215287.db2.gz YXCOUCXAAWQVQN-ZCFIWIBFSA-N 0 0 171.602 2.776 10 0 AFAERN CCCCS[C@@H]1CCC(=O)C1 82819812 573215367 /nfs/dbraw/zinc/21/53/67/573215367.db2.gz SRKPZFQNILYHJB-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN C[C@H](O)CC(C)(C)c1ccc(F)cc1 82817218 573215423 /nfs/dbraw/zinc/21/54/23/573215423.db2.gz DRVFBWLBJDLNSG-VIFPVBQESA-N 0 0 196.265 2.874 10 0 AFAERN Cc1ccc2cc([C@H](C)O)n(C)c2c1 257973782 573215511 /nfs/dbraw/zinc/21/55/11/573215511.db2.gz UPBOKVKYZVBUBO-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN CC1(C)CSc2cccc(N)c2N1 259377686 573217393 /nfs/dbraw/zinc/21/73/93/573217393.db2.gz VZWBKWAYFXIBPY-UHFFFAOYSA-N 0 0 194.303 2.565 10 0 AFAERN C[C@@H]1CC(Nc2cn[nH]c2)C[C@@H](C)C1 82829769 573217409 /nfs/dbraw/zinc/21/74/09/573217409.db2.gz FBYLZWPHIYDWOQ-IUCAKERBSA-N 0 0 193.294 2.646 10 0 AFAERN CCSc1ncc(C)c(=S)[nH]1 238308132 573217465 /nfs/dbraw/zinc/21/74/65/573217465.db2.gz GZWZLCPJKWUGPP-UHFFFAOYSA-N 0 0 186.305 2.560 10 0 AFAERN CCc1c[nH]c2c(OC)c(F)ccc12 238308210 573217479 /nfs/dbraw/zinc/21/74/79/573217479.db2.gz VXOYMYRWGQRBTF-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN C/C=C/C(=O)NC1C[C@@H](C)C[C@H](C)C1 82828916 573216706 /nfs/dbraw/zinc/21/67/06/573216706.db2.gz GYINZXJRYRKMDJ-AWAZDUCLSA-N 0 0 195.306 2.503 10 0 AFAERN CCc1c[nH]c2c(O)c(C)ccc12 238308083 573216709 /nfs/dbraw/zinc/21/67/09/573216709.db2.gz WFOGNAKMCHVWIK-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN CCOc1cccc(C=O)c1Cl 115792078 573216719 /nfs/dbraw/zinc/21/67/19/573216719.db2.gz DZUVADWCDVFPAE-UHFFFAOYSA-N 0 0 184.622 2.551 10 0 AFAERN CCc1c[nH]c2c(F)c(O)ccc12 238307863 573216797 /nfs/dbraw/zinc/21/67/97/573216797.db2.gz KQJJDTGDQRZVEJ-UHFFFAOYSA-N 0 0 179.194 2.575 10 0 AFAERN CCc1cc(F)c2cnsc2c1 238308878 573216903 /nfs/dbraw/zinc/21/69/03/573216903.db2.gz VIURHWUSMQKNOG-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN C[C@@H](O)CC(C)(C)c1cccc(F)c1 82817059 573216908 /nfs/dbraw/zinc/21/69/08/573216908.db2.gz CTBKMMGQJBCVNV-SECBINFHSA-N 0 0 196.265 2.874 10 0 AFAERN CC(C)c1csc(CC(C)(C)O)n1 259378522 573217083 /nfs/dbraw/zinc/21/70/83/573217083.db2.gz VXEUYEVEFLDUHR-UHFFFAOYSA-N 0 0 199.319 2.580 10 0 AFAERN OCCc1csc2cc(F)ccc12 257973828 573217136 /nfs/dbraw/zinc/21/71/36/573217136.db2.gz UPLKKZAAXDAPHM-UHFFFAOYSA-N 0 0 196.246 2.575 10 0 AFAERN CC[C@@H](C)Sc1cc(C)c(N)cn1 86003621 573217155 /nfs/dbraw/zinc/21/71/55/573217155.db2.gz GKIOSTLHLPUFIJ-MRVPVSSYSA-N 0 0 196.319 2.863 10 0 AFAERN C[C@H](CO)c1cccc2ccoc12 257974506 573217195 /nfs/dbraw/zinc/21/71/95/573217195.db2.gz IVCCAGDZRMGIJI-MRVPVSSYSA-N 0 0 176.215 2.529 10 0 AFAERN CCc1c[nH]c2ccc(C)c(O)c12 238308700 573217297 /nfs/dbraw/zinc/21/72/97/573217297.db2.gz XPDZXUGNXVWBCF-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN O=Cc1c(Cl)sc2cnccc12 82321967 573217361 /nfs/dbraw/zinc/21/73/61/573217361.db2.gz PENQMEXWFYBHPX-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN C[C@@H]1Cc2nnc(Cl)cc2[C@H](C)C1 82830635 573222434 /nfs/dbraw/zinc/22/24/34/573222434.db2.gz QATUKZYHYDCMKS-NKWVEPMBSA-N 0 0 196.681 2.816 10 0 AFAERN CCNc1n[nH]c2c1[C@H](C)C[C@@H](C)C2 82831840 573222477 /nfs/dbraw/zinc/22/24/77/573222477.db2.gz YLCUUKQQHBEIQF-HTQZYQBOSA-N 0 0 193.294 2.527 10 0 AFAERN CSC(=N)c1ccc2ncoc2c1 259384616 573222479 /nfs/dbraw/zinc/22/24/79/573222479.db2.gz XQIHHEPOUHEEGD-UHFFFAOYSA-N 0 0 192.243 2.516 10 0 AFAERN Cc1cc(SC(C)(C)C)ncc1N 86003632 573222480 /nfs/dbraw/zinc/22/24/80/573222480.db2.gz BIYZOOHNJSDFOV-UHFFFAOYSA-N 0 0 196.319 2.863 10 0 AFAERN CCc1cccc(CC)c1N(C)C#N 259379298 573222630 /nfs/dbraw/zinc/22/26/30/573222630.db2.gz VYFJURODLMJUEZ-UHFFFAOYSA-N 0 0 188.274 2.729 10 0 AFAERN CCC[C@@](C)(CO)Cc1ccoc1 132130801 573222727 /nfs/dbraw/zinc/22/27/27/573222727.db2.gz ZSTOLLMISTXCQB-LLVKDONJSA-N 0 0 182.263 2.621 10 0 AFAERN Cc1cc2c([C@@H](C)CO)cccc2o1 257975075 573222898 /nfs/dbraw/zinc/22/28/98/573222898.db2.gz DGYDLBBMOXXXDT-QMMMGPOBSA-N 0 0 190.242 2.837 10 0 AFAERN CC[C@H](C)CC1CCC(O)CC1 238309154 573222924 /nfs/dbraw/zinc/22/29/24/573222924.db2.gz KZRCVMLCJPCUNG-WHXUTIOJSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1cc(C)cc2oncc12 238320617 573222984 /nfs/dbraw/zinc/22/29/84/573222984.db2.gz BGXVPTJIRHJBBQ-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CC[C@]1(c2ccccc2)CCC[C@@H]1O 238320937 573223176 /nfs/dbraw/zinc/22/31/76/573223176.db2.gz LRABENUUJXXOJO-QWHCGFSZSA-N 0 0 190.286 2.879 10 0 AFAERN CNc1coc(-c2ccc(C)cc2)n1 238321477 573229220 /nfs/dbraw/zinc/22/92/20/573229220.db2.gz JSCJCMQWYNNWKF-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN C=CSc1cc(C)ccc1O 238457186 573599148 /nfs/dbraw/zinc/59/91/48/573599148.db2.gz KVGCTFBBUIVJEF-UHFFFAOYSA-N 0 0 166.245 2.936 10 0 AFAERN CCc1cc(C=O)c(SC)s1 238321475 573228649 /nfs/dbraw/zinc/22/86/49/573228649.db2.gz OZXJSLUALGCKNI-UHFFFAOYSA-N 0 0 186.301 2.845 10 0 AFAERN Cc1c(C(C)(C)O)oc2ccccc12 259603891 573228701 /nfs/dbraw/zinc/22/87/01/573228701.db2.gz VNASWKSMIKRSEE-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN CC[C@H]1C[C@@H]1c1sccc1N 238321364 573228756 /nfs/dbraw/zinc/22/87/56/573228756.db2.gz AIABBVWCTKNQQC-BQBZGAKWSA-N 0 0 167.277 2.844 10 0 AFAERN CC[C@H]1C[C@@H]1c1ccsc1N 238321341 573228763 /nfs/dbraw/zinc/22/87/63/573228763.db2.gz LEMVUJRLXNHXCZ-XPUUQOCRSA-N 0 0 167.277 2.844 10 0 AFAERN CC[C@H]1C[C@@H]1c1cccc(O)c1 238321306 573228783 /nfs/dbraw/zinc/22/87/83/573228783.db2.gz BRNFSYRGAFFAIM-KWQFWETISA-N 0 0 162.232 2.906 10 0 AFAERN CC[C@](C)(O)C1CCC(C)CC1 82848808 573228796 /nfs/dbraw/zinc/22/87/96/573228796.db2.gz OVINLTYZCAEADG-ILDUYXDCSA-N 0 0 170.296 2.974 10 0 AFAERN CCC1CCC([C@H](O)C2CC2)CC1 82848956 573228853 /nfs/dbraw/zinc/22/88/53/573228853.db2.gz FXXZVFDWCGGRSO-CBINBANVSA-N 0 0 182.307 2.974 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 82848181 573228909 /nfs/dbraw/zinc/22/89/09/573228909.db2.gz AYTYUMGDXCRNMC-OPRDCNLKSA-N 0 0 199.294 2.557 10 0 AFAERN CC1(C)CNc2ccc(N)cc2S1 259383316 573228960 /nfs/dbraw/zinc/22/89/60/573228960.db2.gz WGILJVHOCBOHJE-UHFFFAOYSA-N 0 0 194.303 2.565 10 0 AFAERN CCc1cc(C)[nH]c2cc(=O)ccc1-2 238321175 573228976 /nfs/dbraw/zinc/22/89/76/573228976.db2.gz ZSKZOEGVFHQYMI-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN Cc1c(F)cnc2c(F)cccc12 257975819 573229043 /nfs/dbraw/zinc/22/90/43/573229043.db2.gz ZCIRCAFYZBLTTR-UHFFFAOYSA-N 0 0 179.169 2.821 10 0 AFAERN CSC(=N)c1ccc(F)c(F)c1 258600393 573229089 /nfs/dbraw/zinc/22/90/89/573229089.db2.gz IAROJZALWZJUBS-UHFFFAOYSA-N 0 0 187.214 2.653 10 0 AFAERN CC[C@@H](C)CN(CCC(C)C)OC 308311971 573229124 /nfs/dbraw/zinc/22/91/24/573229124.db2.gz RWRMGYWSWASVNF-LLVKDONJSA-N 0 0 187.327 2.942 10 0 AFAERN C[C@H]1C[C@@H]2CCCC[C@H]2CC1=O 105100509 573236955 /nfs/dbraw/zinc/23/69/55/573236955.db2.gz MHEYINGBKKDJJK-GUBZILKMSA-N 0 0 166.264 2.792 10 0 AFAERN CSC[C@@H](O)C1CCC(C)CC1 82849304 573236188 /nfs/dbraw/zinc/23/61/88/573236188.db2.gz WZOYVKCWUVINBA-UDNWOFFPSA-N 0 0 188.336 2.537 10 0 AFAERN CSCc1coc2c(N)cccc12 257976518 573236258 /nfs/dbraw/zinc/23/62/58/573236258.db2.gz JGCKOBYFWATGKT-UHFFFAOYSA-N 0 0 193.271 2.878 10 0 AFAERN Cc1cc([C@H](O)CCCCF)ccn1 308528218 573236289 /nfs/dbraw/zinc/23/62/89/573236289.db2.gz JTBGCNJBRFDIHR-LLVKDONJSA-N 0 0 197.253 2.563 10 0 AFAERN Cc1cncc([C@@H](O)CCCCF)c1 308528229 573236498 /nfs/dbraw/zinc/23/64/98/573236498.db2.gz JTFJWJZVMPKXMK-NSHDSACASA-N 0 0 197.253 2.563 10 0 AFAERN COC(=O)[C@]1(C2CCCC2)CC1(C)C 259041300 573236538 /nfs/dbraw/zinc/23/65/38/573236538.db2.gz SWQKNKMIDZDAHH-GFCCVEGCSA-N 0 0 196.290 2.766 10 0 AFAERN Cc1cccc2c(CCO)csc12 258242325 573236544 /nfs/dbraw/zinc/23/65/44/573236544.db2.gz QQFJFDAUYKKAIL-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN CC[C@H]1C[C@H]2CCCC(=O)[C@@H]2C1 238314980 573236560 /nfs/dbraw/zinc/23/65/60/573236560.db2.gz QSQCPTQGECBOHF-IVZWLZJFSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H](C)C(=O)[C@@H](OC)C(C)(C)C 132193916 573236700 /nfs/dbraw/zinc/23/67/00/573236700.db2.gz ZQJZZNXERPZLAH-PSASIEDQSA-N 0 0 186.295 2.663 10 0 AFAERN CC/C=C/CC/C(C)=C\CO 206136900 573236846 /nfs/dbraw/zinc/23/68/46/573236846.db2.gz RLPWNMSMTXWSAH-OOFLMXFCSA-N 0 0 154.253 2.671 10 0 AFAERN C[C@H]1CCn2c(cnc2C(C)(C)C)C1 257976906 573244563 /nfs/dbraw/zinc/24/45/63/573244563.db2.gz ACGUORVBCZVRTE-VIFPVBQESA-N 0 0 192.306 2.763 10 0 AFAERN CC[C@H](O)[C@]1(c2ccccc2)C[C@@H]1C 238316141 573244564 /nfs/dbraw/zinc/24/45/64/573244564.db2.gz AYWCYCVIZGTAKR-WCFLWFBJSA-N 0 0 190.286 2.735 10 0 AFAERN Cc1ccc([C@]2(CO)C[C@H]2C)c(C)c1 259045754 573244596 /nfs/dbraw/zinc/24/45/96/573244596.db2.gz UJPOTMJSMFZNQP-YPMHNXCESA-N 0 0 190.286 2.573 10 0 AFAERN C[C@@H]1CC[C@@](N)(C(F)(F)F)[C@H](C)C1 82862222 573244621 /nfs/dbraw/zinc/24/46/21/573244621.db2.gz QMANYGVEDKUGLG-PRJMDXOYSA-N 0 0 195.228 2.702 10 0 AFAERN C/C=C/C(=O)NCCC(CC)CC 308321391 573244670 /nfs/dbraw/zinc/24/46/70/573244670.db2.gz YSUPGQMTZWWNBP-QPJJXVBHSA-N 0 0 183.295 2.505 10 0 AFAERN CC[C@H]1Cc2cc(C)ccc2[C@H]1O 238315297 573244705 /nfs/dbraw/zinc/24/47/05/573244705.db2.gz PBITUKCCHDCMFP-CABZTGNLSA-N 0 0 176.259 2.611 10 0 AFAERN CCC[C@]1(O)C[C@@H](C)CC[C@@H]1C 82861548 573244053 /nfs/dbraw/zinc/24/40/53/573244053.db2.gz QVXVCGVVNUEOPH-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc2c(c1)C(C)(C)[C@H](O)CC2 259046106 573244088 /nfs/dbraw/zinc/24/40/88/573244088.db2.gz APNTWNNOIJPNST-GFCCVEGCSA-N 0 0 190.286 2.580 10 0 AFAERN C[C@@H]1CCC[C@@](O)(c2ccco2)[C@@H]1C 82861176 573244112 /nfs/dbraw/zinc/24/41/12/573244112.db2.gz GQHQQLQSZNVIEI-FOGDFJRCSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@@H]1CC[C@@]2(CC(=O)CCO2)[C@H](C)C1 82862308 573244141 /nfs/dbraw/zinc/24/41/41/573244141.db2.gz BLLKXQQWXNAPMG-CKYFFXLPSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@](O)(c2ccco2)C1 82861560 573244163 /nfs/dbraw/zinc/24/41/63/573244163.db2.gz LPLRTUKOFZUNGY-FOGDFJRCSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@@H]1CCC[C@@](O)(C(F)(F)F)[C@@H]1C 82861918 573244177 /nfs/dbraw/zinc/24/41/77/573244177.db2.gz FUYCOQNPALUCPD-PRJMDXOYSA-N 0 0 196.212 2.736 10 0 AFAERN Oc1ccc([C@@H]2CCS2)cc1 258607474 573244186 /nfs/dbraw/zinc/24/41/86/573244186.db2.gz VOJRYYGGUMSOOH-VIFPVBQESA-N 0 0 166.245 2.570 10 0 AFAERN COC[C@H](C)[C@@H](C)Nc1ccccc1 308521079 573244188 /nfs/dbraw/zinc/24/41/88/573244188.db2.gz OWERMXGLYHYIIV-WDEREUQCSA-N 0 0 193.290 2.770 10 0 AFAERN C[C@@H]1CCn2c(cnc2C(C)(C)C)C1 257976905 573244357 /nfs/dbraw/zinc/24/43/57/573244357.db2.gz ACGUORVBCZVRTE-SECBINFHSA-N 0 0 192.306 2.763 10 0 AFAERN CCc1cc2c(F)cc(OC)cc2[nH]1 238315819 573244400 /nfs/dbraw/zinc/24/44/00/573244400.db2.gz UKVYTAYCOFDOCX-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN Oc1ccc([C@H]2CCS2)cc1 258607468 573244407 /nfs/dbraw/zinc/24/44/07/573244407.db2.gz VOJRYYGGUMSOOH-SECBINFHSA-N 0 0 166.245 2.570 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@@]1(O)c1ccco1 82861558 573244448 /nfs/dbraw/zinc/24/44/48/573244448.db2.gz LPLRTUKOFZUNGY-SCVCMEIPSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@@]1(O)c1ccoc1 82861426 573244482 /nfs/dbraw/zinc/24/44/82/573244482.db2.gz VGWKNSBMHIOXHJ-SCVCMEIPSA-N 0 0 194.274 2.923 10 0 AFAERN CCCC(=O)CC1(COC)CCC1 308320642 573244487 /nfs/dbraw/zinc/24/44/87/573244487.db2.gz AYDXQKMGEHYYOS-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN Cc1ccc(C(C)(F)F)o1 259051741 573250706 /nfs/dbraw/zinc/25/07/06/573250706.db2.gz VHNNTIAEPKHBCX-UHFFFAOYSA-N 0 0 146.136 2.700 10 0 AFAERN Cc1[nH]c([C@H]2CCC[C@H](C)C2)nc1O 235621819 573600510 /nfs/dbraw/zinc/60/05/10/573600510.db2.gz ZWAKXBQBDYBXDC-CBAPKCEASA-N 0 0 194.278 2.717 10 0 AFAERN C[C@@H]1C[C@H](O)c2c(O)ccc(Cl)c21 238456578 573600550 /nfs/dbraw/zinc/60/05/50/573600550.db2.gz YEQMPDICMFNSKH-XRGYYRRGSA-N 0 0 198.649 2.586 10 0 AFAERN C/C=C\COc1cccc(Cl)n1 215378202 573600609 /nfs/dbraw/zinc/60/06/09/573600609.db2.gz JXNAQCJZMXAKPD-IHWYPQMZSA-N 0 0 183.638 2.690 10 0 AFAERN C[C@@H]1c2cc(O)ccc2NC1(C)C 258247945 573250217 /nfs/dbraw/zinc/25/02/17/573250217.db2.gz RCEAJOAYQHWXKB-SSDOTTSWSA-N 0 0 177.247 2.700 10 0 AFAERN Cc1cccc(OCC(F)(F)F)c1 82865213 573250256 /nfs/dbraw/zinc/25/02/56/573250256.db2.gz WUTRYFGHJSQWQB-UHFFFAOYSA-N 0 0 190.164 2.936 10 0 AFAERN CCc1ccc(CC)c([C@H](C)CO)c1 257984634 573250524 /nfs/dbraw/zinc/25/05/24/573250524.db2.gz DYOGYRRUIQTJAG-SNVBAGLBSA-N 0 0 192.302 2.907 10 0 AFAERN CCc1ccc(CC)c([C@@H](C)CO)c1 257984630 573250570 /nfs/dbraw/zinc/25/05/70/573250570.db2.gz DYOGYRRUIQTJAG-JTQLQIEISA-N 0 0 192.302 2.907 10 0 AFAERN Cc1cccc2c1CC[C@@H](O)C2(C)C 259052044 573250656 /nfs/dbraw/zinc/25/06/56/573250656.db2.gz AYFRFFUHRAIXJC-GFCCVEGCSA-N 0 0 190.286 2.580 10 0 AFAERN CCCc1c(C(C)=O)cnn1C(C)C 257835989 573600653 /nfs/dbraw/zinc/60/06/53/573600653.db2.gz KRTHTKQRLYLFDP-UHFFFAOYSA-N 0 0 194.278 2.619 10 0 AFAERN c1ccc2c(c1)ccc1oncc12 84235814 573600682 /nfs/dbraw/zinc/60/06/82/573600682.db2.gz KZCMZPDROXCRGA-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN CC(C)(C)Oc1cccc2c1NCC2 258070672 573600719 /nfs/dbraw/zinc/60/07/19/573600719.db2.gz QGZFOQATNMZUEQ-UHFFFAOYSA-N 0 0 191.274 2.832 10 0 AFAERN C[C@@H]1CC[C@@H]2[C@@H](O)CC[C@@]2(C)C1 238445878 573600730 /nfs/dbraw/zinc/60/07/30/573600730.db2.gz HWPUPLZVHHECTM-ZNSHCXBVSA-N 0 0 168.280 2.584 10 0 AFAERN CCCCc1sc(NC)nc1C 258817109 573600746 /nfs/dbraw/zinc/60/07/46/573600746.db2.gz OKCDSSCFNFSFQG-UHFFFAOYSA-N 0 0 184.308 2.836 10 0 AFAERN CC(C)=C/C=C/[C@H](C)[C@H](C)O 238456965 573600747 /nfs/dbraw/zinc/60/07/47/573600747.db2.gz ULIRQZURIDDABP-MLXLLJIISA-N 0 0 154.253 2.526 10 0 AFAERN CCc1cc2oncc2cc1C 238319602 573258184 /nfs/dbraw/zinc/25/81/84/573258184.db2.gz CMOMRMOUVMFCLC-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCc1cc(C)c(C(C)=O)s1 238319208 573258234 /nfs/dbraw/zinc/25/82/34/573258234.db2.gz XXOIGWMYMSPFCA-UHFFFAOYSA-N 0 0 168.261 2.822 10 0 AFAERN Clc1nc(C2CC2)n2c1CCCC2 258264399 573258387 /nfs/dbraw/zinc/25/83/87/573258387.db2.gz MLRCHGKRQIVHCY-UHFFFAOYSA-N 0 0 196.681 2.750 10 0 AFAERN Cc1coc([C@](C)(O)CC(C)C)c1 715745131 573258397 /nfs/dbraw/zinc/25/83/97/573258397.db2.gz PBDVJCWMZGTDAG-LLVKDONJSA-N 0 0 182.263 2.842 10 0 AFAERN CC(C)[C@@H]1[C@@H](C)CC(=O)[C@@H]1C 142332525 573258428 /nfs/dbraw/zinc/25/84/28/573258428.db2.gz WOTFBFKEGRBVSY-OYNCUSHFSA-N 0 0 154.253 2.504 10 0 AFAERN Oc1ccc(Cc2ccco2)cc1 142330192 573259208 /nfs/dbraw/zinc/25/92/08/573259208.db2.gz QATGNZVUWGXOCE-UHFFFAOYSA-N 0 0 174.199 2.576 10 0 AFAERN CCNc1ccc(C)c(NCC)c1 116317069 573259220 /nfs/dbraw/zinc/25/92/20/573259220.db2.gz IOXPIUZZKWFTOM-UHFFFAOYSA-N 0 0 178.279 2.859 10 0 AFAERN Fc1ccc(F)c2c1C=CCC2 116294081 573259279 /nfs/dbraw/zinc/25/92/79/573259279.db2.gz NGOHKHNRBOLITK-UHFFFAOYSA-N 0 0 166.170 2.924 10 0 AFAERN COC(=O)[C@]1(C(C)(C)C)CC1(C)C 259059105 573259309 /nfs/dbraw/zinc/25/93/09/573259309.db2.gz WLMYLHOGERYYDK-NSHDSACASA-N 0 0 184.279 2.622 10 0 AFAERN C1=CCC(Cc2cccnc2)C1 230515488 573258692 /nfs/dbraw/zinc/25/86/92/573258692.db2.gz FQAGUWTUZITCPZ-UHFFFAOYSA-N 0 0 159.232 2.590 10 0 AFAERN CCC1(CC(=O)CCOC)CCC1 308329430 573258804 /nfs/dbraw/zinc/25/88/04/573258804.db2.gz JOHCAYLAZLVXDY-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CC[C@H](C)NC(=O)C1CCC(C)CC1 116290681 573258972 /nfs/dbraw/zinc/25/89/72/573258972.db2.gz CMAXFWLBBIIBNX-YVNMAJEFSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CNC(=O)C1CCC(C)CC1 116290734 573259013 /nfs/dbraw/zinc/25/90/13/573259013.db2.gz TWNJHLLBGYHXOI-UHFFFAOYSA-N 0 0 197.322 2.585 10 0 AFAERN COc1ccc2c(c1)[C@H](O)CC=C2C 142327278 573259054 /nfs/dbraw/zinc/25/90/54/573259054.db2.gz KRJVIIJQEJMKFN-GFCCVEGCSA-N 0 0 190.242 2.536 10 0 AFAERN CN1C=CS[C@H]1Nc1ccccc1 238327030 573259078 /nfs/dbraw/zinc/25/90/78/573259078.db2.gz YLHGRNNDSXPRGI-JTQLQIEISA-N 0 0 192.287 2.532 10 0 AFAERN Cc1c[nH]c2c([C@@H](C)O)cccc12 258261741 573259115 /nfs/dbraw/zinc/25/91/15/573259115.db2.gz YMCIOHWLNURACD-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN Cc1nc2cc(C(C)(F)F)ccc2[nH]1 259057797 573263133 /nfs/dbraw/zinc/26/31/33/573263133.db2.gz WIKUQJCHIRQNIF-UHFFFAOYSA-N 0 0 196.200 2.983 10 0 AFAERN OCCc1csc2cccc(F)c12 257984879 573263192 /nfs/dbraw/zinc/26/31/92/573263192.db2.gz VQJMAFGIKPSDRX-UHFFFAOYSA-N 0 0 196.246 2.575 10 0 AFAERN CC(=O)c1cnc(C2CCCC2)o1 257982408 573262386 /nfs/dbraw/zinc/26/23/86/573262386.db2.gz HONNYHZSHIPCMB-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN CC/C=C/C(=O)OCC1(C)CCC1 308332742 573262387 /nfs/dbraw/zinc/26/23/87/573262387.db2.gz JPVGSYSTRNINFS-GQCTYLIASA-N 0 0 182.263 2.686 10 0 AFAERN CC[C@H](C)[C@@H](C)CCOC(C)=O 145507374 573262416 /nfs/dbraw/zinc/26/24/16/573262416.db2.gz NCOFDUNMKGIVBQ-IUCAKERBSA-N 0 0 172.268 2.622 10 0 AFAERN C=C/C=C(/OCC)c1ccc(O)cc1 308332292 573262432 /nfs/dbraw/zinc/26/24/32/573262432.db2.gz FJOYGMIBNCTTPX-LFYBBSHMSA-N 0 0 190.242 2.956 10 0 AFAERN CO/C=C/c1ccc(F)c(F)c1 142332811 573262694 /nfs/dbraw/zinc/26/26/94/573262694.db2.gz JMQYCKBIXGDDFZ-SNAWJCMRSA-N 0 0 170.158 2.582 10 0 AFAERN CCC(CC)Cn1ccc(C=O)c1 129272947 573262854 /nfs/dbraw/zinc/26/28/54/573262854.db2.gz DUCRYQRRBZOSHO-UHFFFAOYSA-N 0 0 179.263 2.737 10 0 AFAERN O[C@@H](CCCC(F)(F)F)CC1CC1 123931002 573262899 /nfs/dbraw/zinc/26/28/99/573262899.db2.gz LFWAKVQUFKDMDT-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN CCc1ccc(C)c(C(C)(C)CO)c1 257984821 573263004 /nfs/dbraw/zinc/26/30/04/573263004.db2.gz FBHRLFWIRHFXJQ-UHFFFAOYSA-N 0 0 192.302 2.827 10 0 AFAERN CCc1coc2cc(O)ccc12 238326017 573263012 /nfs/dbraw/zinc/26/30/12/573263012.db2.gz HYOSCERNOFLHEY-UHFFFAOYSA-N 0 0 162.188 2.701 10 0 AFAERN CONCc1ccc(C2CCC2)cc1 257991531 573277337 /nfs/dbraw/zinc/27/73/37/573277337.db2.gz FRYJEEVBKOGPKF-UHFFFAOYSA-N 0 0 191.274 2.605 10 0 AFAERN C[C@H](F)c1ccccc1[C@@H](C)CO 257991322 573277345 /nfs/dbraw/zinc/27/73/45/573277345.db2.gz FOGYMACYIUDHJA-IUCAKERBSA-N 0 0 182.238 2.813 10 0 AFAERN CC[C@]1(C)COc2sc(C=O)cc21 74241584 573277439 /nfs/dbraw/zinc/27/74/39/573277439.db2.gz QDOUQKRAJMNZLP-SNVBAGLBSA-N 0 0 196.271 2.621 10 0 AFAERN C[C@@H](O)c1cc2ccoc2cc1F 257990774 573277502 /nfs/dbraw/zinc/27/75/02/573277502.db2.gz KPFYJHHOIHWHSH-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN CONCc1cc(Cl)cc(C)c1C 257990165 573277517 /nfs/dbraw/zinc/27/75/17/573277517.db2.gz BDDURKCGEAKMMQ-UHFFFAOYSA-N 0 0 199.681 2.608 10 0 AFAERN CNc1ccc(N=O)cc1Cl 238335022 573277523 /nfs/dbraw/zinc/27/75/23/573277523.db2.gz VMVOUFZGQSRCMK-UHFFFAOYSA-N 0 0 170.599 2.780 10 0 AFAERN C[C@H](CO)c1ccccc1[C@@H](C)F 257991324 573277577 /nfs/dbraw/zinc/27/75/77/573277577.db2.gz FOGYMACYIUDHJA-RKDXNWHRSA-N 0 0 182.238 2.813 10 0 AFAERN CCC(CC)C[C@]1(O)CCSC1 129392424 573277580 /nfs/dbraw/zinc/27/75/80/573277580.db2.gz XDOIOYKOFYYHEU-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN C[C@H](O)c1cc2ccoc2cc1F 257990768 573277600 /nfs/dbraw/zinc/27/76/00/573277600.db2.gz KPFYJHHOIHWHSH-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN C[C@@H](F)c1ccccc1[C@@H](C)CO 257991321 573277606 /nfs/dbraw/zinc/27/76/06/573277606.db2.gz FOGYMACYIUDHJA-DTWKUNHWSA-N 0 0 182.238 2.813 10 0 AFAERN CCC(=O)[C@H](C)c1cccc(F)c1 86161723 573277837 /nfs/dbraw/zinc/27/78/37/573277837.db2.gz ISFJMQIUIGTCAC-MRVPVSSYSA-N 0 0 180.222 2.908 10 0 AFAERN CC[P@@](=O)(/C=C/Cl)OC 238324571 573290229 /nfs/dbraw/zinc/29/02/29/573290229.db2.gz MCFSCWIHQMWGEF-MOVJSRMASA-N 0 0 168.560 2.641 10 0 AFAERN CC[C@@H](C)CNc1ccc(CO)cc1 132310079 573289629 /nfs/dbraw/zinc/28/96/29/573289629.db2.gz QGHGUJHCAZPFGU-SNVBAGLBSA-N 0 0 193.290 2.637 10 0 AFAERN Clc1scnc1Br 116533588 573289655 /nfs/dbraw/zinc/28/96/55/573289655.db2.gz HZRKLAMLBIMYTP-UHFFFAOYSA-N 0 0 198.472 2.559 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)C(C)C 86183100 573289726 /nfs/dbraw/zinc/28/97/26/573289726.db2.gz AKQGREWPPDRGTR-NXEZZACHSA-N 0 0 158.285 2.686 10 0 AFAERN C[C@@H]1CSc2cccc([C@@H](C)O)c21 258280064 573289765 /nfs/dbraw/zinc/28/97/65/573289765.db2.gz ZNLBWGWYWCHDQE-HTQZYQBOSA-N 0 0 194.299 2.949 10 0 AFAERN CC(=O)[C@@H](F)c1ccc(C)cc1 258620444 573289808 /nfs/dbraw/zinc/28/98/08/573289808.db2.gz WRSVOKMQGHWMCG-SNVBAGLBSA-N 0 0 166.195 2.595 10 0 AFAERN CC(C)[C@@H](O)[C@@H](C)C1CCCC1 86183036 573289832 /nfs/dbraw/zinc/28/98/32/573289832.db2.gz VKPGUUUNTBDPOC-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1cc(O)c(C(C)=O)cc1CC 238334793 573289888 /nfs/dbraw/zinc/28/98/88/573289888.db2.gz VDSQEGOYRQXVEV-UHFFFAOYSA-N 0 0 192.258 2.720 10 0 AFAERN C[C@H](O)c1cccc2c1[C@H](C)CS2 258280069 573289893 /nfs/dbraw/zinc/28/98/93/573289893.db2.gz ZNLBWGWYWCHDQE-SFYZADRCSA-N 0 0 194.299 2.949 10 0 AFAERN CC(C)[C@@H](O)[C@@H](C)c1ccccc1F 86183360 573289939 /nfs/dbraw/zinc/28/99/39/573289939.db2.gz JFGXTJNUGMBEPP-JOYOIKCWSA-N 0 0 196.265 2.946 10 0 AFAERN CC[C@@H](C(C)C)[C@@H](O)C(C)C 86183115 573290051 /nfs/dbraw/zinc/29/00/51/573290051.db2.gz ACLHDGFQOQVYML-UWVGGRQHSA-N 0 0 158.285 2.686 10 0 AFAERN CC(C)[C@H](O)[C@@H](C)c1cccc(F)c1 86183381 573290059 /nfs/dbraw/zinc/29/00/59/573290059.db2.gz WWDZUJGORDAJCS-CABZTGNLSA-N 0 0 196.265 2.946 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1cccc(F)c1 86202799 573312182 /nfs/dbraw/zinc/31/21/82/573312182.db2.gz WAANZIRSWAJJHA-PWSUYJOCSA-N 0 0 194.249 2.833 10 0 AFAERN CC[C@H](C)/C=C(/CO)C(C)C 86209363 573312209 /nfs/dbraw/zinc/31/22/09/573312209.db2.gz NUIBAWKHOMYBCE-LKJZUNMESA-N 0 0 156.269 2.607 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1ccc(C)o1 86204101 573312291 /nfs/dbraw/zinc/31/22/91/573312291.db2.gz NNJADAWYKBIZBC-MWLCHTKSSA-N 0 0 180.247 2.596 10 0 AFAERN CCC[C@H]1C[C@]1(O)C1CCCC1 86202792 573312331 /nfs/dbraw/zinc/31/23/31/573312331.db2.gz UMPFZRFRIOLMHP-QWRGUYRKSA-N 0 0 168.280 2.728 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1ccsc1 86202688 573312372 /nfs/dbraw/zinc/31/23/72/573312372.db2.gz TWVOXVQINXPTQD-WPRPVWTQSA-N 0 0 182.288 2.756 10 0 AFAERN CCc1cc[nH]c1-c1ccco1 238345594 573312479 /nfs/dbraw/zinc/31/24/79/573312479.db2.gz DIDMAYXMPUYZLT-UHFFFAOYSA-N 0 0 161.204 2.837 10 0 AFAERN C=Cc1cc(Cl)ncc1C 209761020 573312484 /nfs/dbraw/zinc/31/24/84/573312484.db2.gz QTYNFLPACSTYJM-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN CC(C)(C)NC(=S)C(C)(C)C 117005727 573311795 /nfs/dbraw/zinc/31/17/95/573311795.db2.gz BBGKRMYOHQWDEF-UHFFFAOYSA-N 0 0 173.325 2.748 10 0 AFAERN CC/C(=C\c1sc(C)nc1C)CO 86209104 573311800 /nfs/dbraw/zinc/31/18/00/573311800.db2.gz DJXAUHQMBASKNP-WEVVVXLNSA-N 0 0 197.303 2.546 10 0 AFAERN Cc1ccc([C@H](O)CCCCF)cn1 308546819 573311805 /nfs/dbraw/zinc/31/18/05/573311805.db2.gz PZZJGXOZGSBIOG-LLVKDONJSA-N 0 0 197.253 2.563 10 0 AFAERN CC(C)(C)C[C@H](O)c1ccccn1 224014728 573311823 /nfs/dbraw/zinc/31/18/23/573311823.db2.gz UKDZQDOKZPGFKW-JTQLQIEISA-N 0 0 179.263 2.551 10 0 AFAERN CCc1ccc(C(C)(C)C)nc1 117010575 573311881 /nfs/dbraw/zinc/31/18/81/573311881.db2.gz ARQDKJJLBOKMGY-UHFFFAOYSA-N 0 0 163.264 2.942 10 0 AFAERN CCC[C@@H]1C[C@]1(O)[C@@H](C)CC 86203466 573311906 /nfs/dbraw/zinc/31/19/06/573311906.db2.gz AZMYRIAQKQQJRQ-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN O=C(C1CCCC1)C(F)(F)C(F)F 236147946 573311909 /nfs/dbraw/zinc/31/19/09/573311909.db2.gz YLWOSIYSRANRFT-UHFFFAOYSA-N 0 0 198.159 2.646 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1ccc(C)o1 86204104 573311962 /nfs/dbraw/zinc/31/19/62/573311962.db2.gz NNJADAWYKBIZBC-KOLCDFICSA-N 0 0 180.247 2.596 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1occc1C 86204120 573312026 /nfs/dbraw/zinc/31/20/26/573312026.db2.gz QWVFUAXMCKAHSO-ONGXEEELSA-N 0 0 180.247 2.596 10 0 AFAERN COc1cncc(Cl)c1C(F)F 238346203 573312040 /nfs/dbraw/zinc/31/20/40/573312040.db2.gz AGLSLEPVGZSRSE-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN C[C@@H]1CCCC[C@H](CCCCO)C1=O 238462670 573312094 /nfs/dbraw/zinc/31/20/94/573312094.db2.gz GWLNLJBZRCCGEK-GHMZBOCLSA-N 0 0 198.306 2.544 10 0 AFAERN CC(C)(C)c1cc2c(cn1)CCC2 198091502 573312142 /nfs/dbraw/zinc/31/21/42/573312142.db2.gz DTLPYUUZMQTNTB-UHFFFAOYSA-N 0 0 175.275 2.868 10 0 AFAERN C=Cc1cc(C)cnc1Cl 209760880 573313127 /nfs/dbraw/zinc/31/31/27/573313127.db2.gz JMMKHXOIGPJXQI-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN CC/C(=C\c1ccc(C)s1)CO 86208977 573313130 /nfs/dbraw/zinc/31/31/30/573313130.db2.gz MVEOOVHJIOINDZ-RMKNXTFCSA-N 0 0 182.288 2.842 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1ccccc1 86202712 573313178 /nfs/dbraw/zinc/31/31/78/573313178.db2.gz UVLIYLSZISQRHS-NEPJUHHUSA-N 0 0 176.259 2.694 10 0 AFAERN CCCCCC[C@@H]1NC(=O)C12CCC2 308646898 573601755 /nfs/dbraw/zinc/60/17/55/573601755.db2.gz HUTJWDJFPFXSCW-JTQLQIEISA-N 0 0 195.306 2.626 10 0 AFAERN C[C@H]1CC(=O)[C@@]2(C)C=CC=CC=C12 238457126 573601782 /nfs/dbraw/zinc/60/17/82/573601782.db2.gz ANZMZRGJDCBNHD-CABZTGNLSA-N 0 0 174.243 2.654 10 0 AFAERN C[C@H]1C[C@]12CCCCCC2=O 238456931 573601788 /nfs/dbraw/zinc/60/17/88/573601788.db2.gz BNZRKIJHAXMBOM-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN CCC[C@H]1C[C@@]1(O)C(C)(C)C 86203027 573312781 /nfs/dbraw/zinc/31/27/81/573312781.db2.gz HWNKZKMKNXYHNZ-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@H]1C[C@@]1(O)CC(C)C 86202814 573312824 /nfs/dbraw/zinc/31/28/24/573312824.db2.gz RUKBYUOCBSHHFX-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)CC(C)C 86202811 573312890 /nfs/dbraw/zinc/31/28/90/573312890.db2.gz RUKBYUOCBSHHFX-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN C=Cc1c(C)cncc1Cl 209763047 573312900 /nfs/dbraw/zinc/31/29/00/573312900.db2.gz OHTYJNNRSGODKZ-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN Cc1cccc2c1C(C)(C)C(=O)CC2 259415614 573312920 /nfs/dbraw/zinc/31/29/20/573312920.db2.gz SLWUAXVYQSLHJH-UHFFFAOYSA-N 0 0 188.270 2.788 10 0 AFAERN CC/C(=C\c1sccc1C)CO 86209304 573312984 /nfs/dbraw/zinc/31/29/84/573312984.db2.gz PLRNUSBXBUHBTN-RMKNXTFCSA-N 0 0 182.288 2.842 10 0 AFAERN Oc1ccccc1[C@H]1CCC1(F)F 259606955 573312988 /nfs/dbraw/zinc/31/29/88/573312988.db2.gz DNAAUQMHGRZJGK-MRVPVSSYSA-N 0 0 184.185 2.905 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1ccoc1C 86202910 573313031 /nfs/dbraw/zinc/31/30/31/573313031.db2.gz QGTBRRPZRRGCTA-MWLCHTKSSA-N 0 0 180.247 2.596 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1cccc(F)c1 86202800 573313054 /nfs/dbraw/zinc/31/30/54/573313054.db2.gz WAANZIRSWAJJHA-JQWIXIFHSA-N 0 0 194.249 2.833 10 0 AFAERN CC(=O)CCc1cc(O)cc(Cl)c1 106876390 573322656 /nfs/dbraw/zinc/32/26/56/573322656.db2.gz LRXPMWWUVINGMY-UHFFFAOYSA-N 0 0 198.649 2.567 10 0 AFAERN CC(=O)[C@H]1C(C)=CCCC1(C)C 117102053 573322769 /nfs/dbraw/zinc/32/27/69/573322769.db2.gz XFMMYPDDHPSAIH-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)[C@@H]1C(C)=CCCC1(C)C 117102050 573322779 /nfs/dbraw/zinc/32/27/79/573322779.db2.gz XFMMYPDDHPSAIH-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN COc1cc(Cl)ncc1C1CC1 238341704 573323005 /nfs/dbraw/zinc/32/30/05/573323005.db2.gz FTVYDIFFKSXUIM-UHFFFAOYSA-N 0 0 183.638 2.621 10 0 AFAERN CC(C)(O)[C@@H]1C[C@H]1c1ccccc1 117102562 573323014 /nfs/dbraw/zinc/32/30/14/573323014.db2.gz NBUOGRRGXCXCOG-WDEREUQCSA-N 0 0 176.259 2.561 10 0 AFAERN Oc1ccc([C@@H]2CC[C@@H]2CF)cc1 259606678 573323056 /nfs/dbraw/zinc/32/30/56/573323056.db2.gz DJCJQINUHYAIAE-KOLCDFICSA-N 0 0 180.222 2.855 10 0 AFAERN CC(C)CCOc1c(N)cccc1F 132647613 573323064 /nfs/dbraw/zinc/32/30/64/573323064.db2.gz OSTRSOUKRCLLCM-UHFFFAOYSA-N 0 0 197.253 2.833 10 0 AFAERN CCC[C@H](C)[C@@H](C)C(C)=O 117095860 573323065 /nfs/dbraw/zinc/32/30/65/573323065.db2.gz HLPAYTLTGGTXHJ-JGVFFNPUSA-N 0 0 142.242 2.648 10 0 AFAERN Cc1ccc(C)c(-c2cnco2)c1 231393461 573323131 /nfs/dbraw/zinc/32/31/31/573323131.db2.gz IMCCRCCCHOYXKH-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CNC(=S)C[C@H](C)c1ccc(C)o1 238359368 573333506 /nfs/dbraw/zinc/33/35/06/573333506.db2.gz BDZXEZSBFWLUCD-ZETCQYMHSA-N 0 0 197.303 2.628 10 0 AFAERN CCC1([C@H](CCC(C)(C)C)NN)CC1 308559975 573333529 /nfs/dbraw/zinc/33/35/29/573333529.db2.gz WRHATHPRKWATLM-JTQLQIEISA-N 0 0 198.354 2.835 10 0 AFAERN Cc1ccccc1SC(C)(C)CO 259085964 573333536 /nfs/dbraw/zinc/33/35/36/573333536.db2.gz OQQAXGDVGGCCMI-UHFFFAOYSA-N 0 0 196.315 2.858 10 0 AFAERN CC(C)(O)c1coc2ccc(F)cc12 258006399 573333544 /nfs/dbraw/zinc/33/35/44/573333544.db2.gz XJWZTXGPTUGKQI-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN COc1c(C)cc(C)nc1C(F)F 238359154 573333626 /nfs/dbraw/zinc/33/36/26/573333626.db2.gz ROAIFECDGIIUGO-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN CC(C)=C(F)C(=O)OCC(C)(C)F 308349980 573333690 /nfs/dbraw/zinc/33/36/90/573333690.db2.gz XWTPDEJCBUNYQD-UHFFFAOYSA-N 0 0 192.205 2.541 10 0 AFAERN Cc1nc2c3c(ccc2[nH]1)CCCC3 143623551 573333751 /nfs/dbraw/zinc/33/37/51/573333751.db2.gz NCWKDABKGUKVFF-UHFFFAOYSA-N 0 0 186.258 2.750 10 0 AFAERN C/C(=C\C[Si](C)(C)C)CCO 223030083 573333840 /nfs/dbraw/zinc/33/38/40/573333840.db2.gz OKFPIRJMVBAZMP-RMKNXTFCSA-N 0 0 172.344 2.653 10 0 AFAERN COc1nc(C(F)F)c(C)cc1C 238358823 573334206 /nfs/dbraw/zinc/33/42/06/573334206.db2.gz NGXYKAZUMYJXKB-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN C(=C/c1ccoc1)\c1cc[nH]c1 143637226 573334076 /nfs/dbraw/zinc/33/40/76/573334076.db2.gz ASWGLNJOKRVUMV-OWOJBTEDSA-N 0 0 159.188 2.778 10 0 AFAERN CC(C)(C)[C@H](CCC1CCCC1)NN 132788675 573337141 /nfs/dbraw/zinc/33/71/41/573337141.db2.gz JQLZXFXIRFDPAV-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN COc1c(C)c(O)cc(C)c1Cl 238355668 573337217 /nfs/dbraw/zinc/33/72/17/573337217.db2.gz FDRJBDHOSPUOQF-UHFFFAOYSA-N 0 0 186.638 2.671 10 0 AFAERN CCc1ccc(C(O)=S)c(C)c1 238354985 573336586 /nfs/dbraw/zinc/33/65/86/573336586.db2.gz WAOAKELIMHECGW-UHFFFAOYSA-N 0 0 180.272 2.791 10 0 AFAERN CC[C@@H](C)C1=C[C@@H]2C(=O)C[C@@H]2C1 117409188 573336696 /nfs/dbraw/zinc/33/66/96/573336696.db2.gz UVFNMNSSMFTTLV-JEZHCXPESA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)[C@H]2C=C[C@]1(C)C(=O)CC2 143508079 573336752 /nfs/dbraw/zinc/33/67/52/573336752.db2.gz FQSLIWYXRKUWAQ-LDYMZIIASA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cccc2sc(CON)cc12 258007165 573336790 /nfs/dbraw/zinc/33/67/90/573336790.db2.gz CJRNHSDJNLZZEL-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN COc1cc(F)cc2cc(C)[nH]c12 238354153 573336868 /nfs/dbraw/zinc/33/68/68/573336868.db2.gz AIZKSVUTOBOMRD-UHFFFAOYSA-N 0 0 179.194 2.624 10 0 AFAERN COc1cc(F)cc2cc(Cl)[nH]c12 238354173 573336920 /nfs/dbraw/zinc/33/69/20/573336920.db2.gz YFYNZBFTBLBDJH-UHFFFAOYSA-N 0 0 199.612 2.969 10 0 AFAERN O=C1Cc2cccc(Cl)c2S1 82320882 573356625 /nfs/dbraw/zinc/35/66/25/573356625.db2.gz UPYZYNRDDNHGBI-UHFFFAOYSA-N 0 0 184.647 2.515 10 0 AFAERN O[C@@H](CC1CC1)c1cccc(F)c1 82999769 573356645 /nfs/dbraw/zinc/35/66/45/573356645.db2.gz SHGLAITXGLRKOX-NSHDSACASA-N 0 0 180.222 2.659 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1c1cccs1 83001704 573356668 /nfs/dbraw/zinc/35/66/68/573356668.db2.gz CVTXBODJXPTFTA-JGVFFNPUSA-N 0 0 180.272 2.831 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1Cc1cccs1 83002886 573356697 /nfs/dbraw/zinc/35/66/97/573356697.db2.gz AAMVJUAVPLWOIM-DTWKUNHWSA-N 0 0 194.299 2.906 10 0 AFAERN O[C@H](CC1CC1)c1ccsc1 82999780 573356768 /nfs/dbraw/zinc/35/67/68/573356768.db2.gz XDRRCAKGMSVNSA-SECBINFHSA-N 0 0 168.261 2.582 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1c1ccccc1F 83001758 573356817 /nfs/dbraw/zinc/35/68/17/573356817.db2.gz RIGMKMACHRFXQY-IUCAKERBSA-N 0 0 192.233 2.908 10 0 AFAERN Cc1cccc([C@@H](O)CC2CC2)c1 82999799 573356821 /nfs/dbraw/zinc/35/68/21/573356821.db2.gz AJCKDJFSXMPQCD-LBPRGKRZSA-N 0 0 176.259 2.829 10 0 AFAERN CC[C@H](C)S[C@H]1CCC(=O)[C@@H]1C 83000469 573356838 /nfs/dbraw/zinc/35/68/38/573356838.db2.gz SGSHUZPSFHISAE-NRPADANISA-N 0 0 186.320 2.886 10 0 AFAERN CC[C@@H](Cn1c(C)ccc1C)OC 308364812 573356110 /nfs/dbraw/zinc/35/61/10/573356110.db2.gz GYTUAROPVHMTCE-NSHDSACASA-N 0 0 181.279 2.530 10 0 AFAERN O=C(CC1CC1)c1ccccc1F 82999717 573356150 /nfs/dbraw/zinc/35/61/50/573356150.db2.gz SEHRZRHVXLAWQM-UHFFFAOYSA-N 0 0 178.206 2.809 10 0 AFAERN Cc1ccccc1[C@H](O)CC1CC1 82999796 573356159 /nfs/dbraw/zinc/35/61/59/573356159.db2.gz QWYZPMQFZVDZRT-GFCCVEGCSA-N 0 0 176.259 2.829 10 0 AFAERN CC(=O)c1ccc(C2CCC2)o1 107120318 573356183 /nfs/dbraw/zinc/35/61/83/573356183.db2.gz HFFYNAJTKQIHRA-UHFFFAOYSA-N 0 0 164.204 2.750 10 0 AFAERN CC(C)=C[C@H](C)[C@H]1C=C[C@@H](O)C1 238367983 573356184 /nfs/dbraw/zinc/35/61/84/573356184.db2.gz LDZKUPFBQKWZEA-GARJFASQSA-N 0 0 166.264 2.526 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1Cc1cccs1 83002884 573356193 /nfs/dbraw/zinc/35/61/93/573356193.db2.gz AAMVJUAVPLWOIM-RKDXNWHRSA-N 0 0 194.299 2.906 10 0 AFAERN O=C(CC1CC1)C1CCCCC1 82999659 573356198 /nfs/dbraw/zinc/35/61/98/573356198.db2.gz ARLRQNXRRFDJPG-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN O=C(CC1CC1)c1cccc(F)c1 82999643 573356211 /nfs/dbraw/zinc/35/62/11/573356211.db2.gz WAKOKHITKLPIKT-UHFFFAOYSA-N 0 0 178.206 2.809 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1Cc1ccsc1 83001947 573356217 /nfs/dbraw/zinc/35/62/17/573356217.db2.gz JJMKQEYUKFEHCA-PSASIEDQSA-N 0 0 194.299 2.906 10 0 AFAERN Cc1cc([C@@H](O)CC2CC2)ccc1F 82999816 573356260 /nfs/dbraw/zinc/35/62/60/573356260.db2.gz MSKFZMKNAJNJDE-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN CCc1ccc(C(=[NH2+])SC)cc1 258493362 573356264 /nfs/dbraw/zinc/35/62/64/573356264.db2.gz COYGRJUALYPGNE-UHFFFAOYSA-N 0 0 179.288 2.937 10 0 AFAERN O[C@@H](CC1CC1)c1cc(F)cc(F)c1 82999832 573356295 /nfs/dbraw/zinc/35/62/95/573356295.db2.gz QMQMAFSLONGNNQ-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1C(C)(C)C 83002713 573356307 /nfs/dbraw/zinc/35/63/07/573356307.db2.gz CVJFLOHLZIOWHW-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cnccc1[C@@H](O)CCC1CC1 132851354 573356353 /nfs/dbraw/zinc/35/63/53/573356353.db2.gz AIWXAFQSRDVZNM-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN O=C(CC1CC1)C1CCCC1 82999669 573356379 /nfs/dbraw/zinc/35/63/79/573356379.db2.gz IEHIJLWJNYRTAH-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ccccc1[C@@H](O)CC1CC1 82999797 573356420 /nfs/dbraw/zinc/35/64/20/573356420.db2.gz QWYZPMQFZVDZRT-LBPRGKRZSA-N 0 0 176.259 2.829 10 0 AFAERN CC(C)(C)CC(=O)CC1CC1 82999739 573356432 /nfs/dbraw/zinc/35/64/32/573356432.db2.gz VPWPAYOYAGXBIX-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1c1cccs1 83001706 573356439 /nfs/dbraw/zinc/35/64/39/573356439.db2.gz CVTXBODJXPTFTA-YUMQZZPRSA-N 0 0 180.272 2.831 10 0 AFAERN COc1nc(C(F)F)ccc1Cl 238367548 573356458 /nfs/dbraw/zinc/35/64/58/573356458.db2.gz HQCMIASNEWEDCQ-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1c1cccc(F)c1 83002517 573356463 /nfs/dbraw/zinc/35/64/63/573356463.db2.gz KDWQHJULJNJATK-GZMMTYOYSA-N 0 0 192.233 2.908 10 0 AFAERN Cc1ccc(F)cc1[C@H](O)CC1CC1 82999851 573356470 /nfs/dbraw/zinc/35/64/70/573356470.db2.gz IWHIMBUYWYMTDO-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1C(C)(C)C 83002708 573356548 /nfs/dbraw/zinc/35/65/48/573356548.db2.gz CVJFLOHLZIOWHW-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1SC(C)(C)C 83000472 573356555 /nfs/dbraw/zinc/35/65/55/573356555.db2.gz QAVNXWMHAYDJMM-CBAPKCEASA-N 0 0 186.320 2.886 10 0 AFAERN Cc1cc2ccc(CCO)cc2s1 258010146 573356580 /nfs/dbraw/zinc/35/65/80/573356580.db2.gz IZAFVULRNBHGOE-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN OCc1ccccc1[C@@H]1C[C@@H]1C(F)F 258010784 573356607 /nfs/dbraw/zinc/35/66/07/573356607.db2.gz HEZZEOLJTJTKHL-UWVGGRQHSA-N 0 0 198.212 2.548 10 0 AFAERN CC(C)C[S@@](=O)Cc1ccccc1 196725455 573361495 /nfs/dbraw/zinc/36/14/95/573361495.db2.gz CVFFHWRXMMGPNZ-CYBMUJFWSA-N 0 0 196.315 2.591 10 0 AFAERN CCc1cc(O)c(C)c(CC)c1 117715312 573360828 /nfs/dbraw/zinc/36/08/28/573360828.db2.gz SBPRIBXYPHEJKX-UHFFFAOYSA-N 0 0 164.248 2.825 10 0 AFAERN COc1nc(C)c(C(F)F)cc1C 238369507 573360832 /nfs/dbraw/zinc/36/08/32/573360832.db2.gz MRFAYUIDUGGSLP-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN C[C@H]1C(=O)c2ccccc2S[C@@H]1C 86308370 573360865 /nfs/dbraw/zinc/36/08/65/573360865.db2.gz MJCCTFHIKVJQFC-HTQZYQBOSA-N 0 0 192.283 3.000 10 0 AFAERN Cc1cc(Cl)c(C)c(C2(O)CC2)c1 214862653 573360873 /nfs/dbraw/zinc/36/08/73/573360873.db2.gz NEAFLHPEBDUXNJ-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN CCCCC(=O)CC1CCC1 86315084 573360917 /nfs/dbraw/zinc/36/09/17/573360917.db2.gz JYPUOGGZSFUCGT-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CCC1([C@@H](NN)[C@H](C)CC(C)C)CC1 308563053 573361021 /nfs/dbraw/zinc/36/10/21/573361021.db2.gz YPFKTJSXWUCMKH-MNOVXSKESA-N 0 0 198.354 2.691 10 0 AFAERN Cc1cc(C)c(C2(O)CC2)c(Cl)c1 214862787 573361107 /nfs/dbraw/zinc/36/11/07/573361107.db2.gz MRDIJRZIIUEPKD-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN FC[C@H](Nc1ccccc1)C1CC1 107126942 573363779 /nfs/dbraw/zinc/36/37/79/573363779.db2.gz RJTFEPWBANBJHX-NSHDSACASA-N 0 0 179.238 2.847 10 0 AFAERN CC(=O)c1cc2c(cc1F)CCC2 258007812 573363150 /nfs/dbraw/zinc/36/31/50/573363150.db2.gz MLOUYOWZRUWLQW-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN CCCn1cc(C=O)c([C@H](C)CC)n1 308562890 573363195 /nfs/dbraw/zinc/36/31/95/573363195.db2.gz XDNHXKYMVXRYIJ-SECBINFHSA-N 0 0 194.278 2.619 10 0 AFAERN CCCn1cc(C=O)c([C@@H](C)CC)n1 308562892 573363234 /nfs/dbraw/zinc/36/32/34/573363234.db2.gz XDNHXKYMVXRYIJ-VIFPVBQESA-N 0 0 194.278 2.619 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1Cc1cccs1 83036896 573363267 /nfs/dbraw/zinc/36/32/67/573363267.db2.gz ISAZMRITVMSPEX-QXEWZRGKSA-N 0 0 196.315 2.698 10 0 AFAERN CC(C)(F)C1(CO)CCCCC1 107124960 573363288 /nfs/dbraw/zinc/36/32/88/573363288.db2.gz SYHYNWMBELVGJC-UHFFFAOYSA-N 0 0 174.259 2.677 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1C1CCCC1 83036078 573363398 /nfs/dbraw/zinc/36/33/98/573363398.db2.gz CWRKUMHPZOAKNP-LSJOCFKGSA-N 0 0 168.280 2.584 10 0 AFAERN CCCCC[C@@H](O)[C@H](OC)C(C)C 132999999 573363429 /nfs/dbraw/zinc/36/34/29/573363429.db2.gz YQIUDTAMAZKUGL-GHMZBOCLSA-N 0 0 188.311 2.599 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1cccs1 83036241 573363450 /nfs/dbraw/zinc/36/34/50/573363450.db2.gz XXGNVEMKJHOKKI-CIUDSAMLSA-N 0 0 182.288 2.623 10 0 AFAERN COc1c(C)cc2[nH]ccc2c1C 107125193 573363498 /nfs/dbraw/zinc/36/34/98/573363498.db2.gz GPSNJKNCJYBLIX-UHFFFAOYSA-N 0 0 175.231 2.793 10 0 AFAERN COc1ccc(C)cc1C(F)F 117719629 573363505 /nfs/dbraw/zinc/36/35/05/573363505.db2.gz MASLRQHRIYMMBJ-UHFFFAOYSA-N 0 0 172.174 2.941 10 0 AFAERN CC(C)(O)c1c[nH]c2cc(F)ccc12 258312712 573363506 /nfs/dbraw/zinc/36/35/06/573363506.db2.gz VUSVUZIRCAEGRU-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN CC[C@H](C)C[C@@H]1CC[C@H](O)[C@@H]1C 83036915 573363530 /nfs/dbraw/zinc/36/35/30/573363530.db2.gz IGIMCYOGAUDTBN-VLEAKVRGSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1c1ccc(F)cc1 83036667 573363574 /nfs/dbraw/zinc/36/35/74/573363574.db2.gz HSNMMZPSMMJRMS-AXTRIDKLSA-N 0 0 194.249 2.700 10 0 AFAERN Cc1nccn2c1cc1ccccc12 107128856 573363577 /nfs/dbraw/zinc/36/35/77/573363577.db2.gz QSJNKBGQMXTEBM-UHFFFAOYSA-N 0 0 182.226 2.796 10 0 AFAERN C=CC(=C)c1cccc(OC)c1O 238361081 573363590 /nfs/dbraw/zinc/36/35/90/573363590.db2.gz FZPMDLWIJWZYGV-UHFFFAOYSA-N 0 0 176.215 2.600 10 0 AFAERN CC(C)[S@@](=O)[C@H](C)c1ccccc1 166564853 573363609 /nfs/dbraw/zinc/36/36/09/573363609.db2.gz FSBSPDPDCJXLKY-MFKMUULPSA-N 0 0 196.315 2.905 10 0 AFAERN CC(C)CC[C@@H]1CC[C@H](O)[C@H]1C 83035276 573363673 /nfs/dbraw/zinc/36/36/73/573363673.db2.gz SXWPBTQPDRPIKN-AXFHLTTASA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc2cc(C(C)(C)O)oc2c1 258011200 573363680 /nfs/dbraw/zinc/36/36/80/573363680.db2.gz XQUWYYNMCQYWSW-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN CC(C)(C)c1cc2c([nH]1)CCCC2=O 107135164 573368875 /nfs/dbraw/zinc/36/88/75/573368875.db2.gz HTRXWJHMNAOKEW-UHFFFAOYSA-N 0 0 191.274 2.831 10 0 AFAERN COc1cc(C)ccc1OC1CCC1 238380316 573368907 /nfs/dbraw/zinc/36/89/07/573368907.db2.gz LTWWIAXYTYVSSF-UHFFFAOYSA-N 0 0 192.258 2.935 10 0 AFAERN CC1=CC[C@@H](c2ccccc2O)OC1 223053965 573369021 /nfs/dbraw/zinc/36/90/21/573369021.db2.gz RBRNUULQNVKNIS-LBPRGKRZSA-N 0 0 190.242 2.800 10 0 AFAERN C[C@@H]1CC[C@@H](NCC(F)(F)F)[C@@H]1C 83043994 573369025 /nfs/dbraw/zinc/36/90/25/573369025.db2.gz FSVXRAPFEDIBOJ-BWZBUEFSSA-N 0 0 195.228 2.573 10 0 AFAERN CCOC[C@H]1CSc2ccccc21 86330117 573368259 /nfs/dbraw/zinc/36/82/59/573368259.db2.gz FUWFRKWNRFAPTB-VIFPVBQESA-N 0 0 194.299 2.912 10 0 AFAERN CCON[C@@H](CC)C[C@@H](C)CC 133054982 573368316 /nfs/dbraw/zinc/36/83/16/573368316.db2.gz ARKVAUMENLVDKS-UWVGGRQHSA-N 0 0 173.300 2.742 10 0 AFAERN O[C@]1(C2CC3(CCC3)C2)CC[C@H]2C[C@H]21 717626757 573368436 /nfs/dbraw/zinc/36/84/36/573368436.db2.gz RERWISHOXCVRRF-NDMJEZRESA-N 0 0 192.302 2.728 10 0 AFAERN CCC[C@H](C)C[C@@H](NC)C(F)(F)F 126132615 573369035 /nfs/dbraw/zinc/36/90/35/573369035.db2.gz MBYBUTZCDAJDQB-JGVFFNPUSA-N 0 0 197.244 2.963 10 0 AFAERN c1coc(Cc2cn3ccccc3n2)c1 258008266 573368454 /nfs/dbraw/zinc/36/84/54/573368454.db2.gz QRIIFRAVIKSNOM-UHFFFAOYSA-N 0 0 198.225 2.518 10 0 AFAERN CCCCc1nc(C2CC2)sc1N 50309159 573368522 /nfs/dbraw/zinc/36/85/22/573368522.db2.gz SBOVHZYVZLQDIZ-UHFFFAOYSA-N 0 0 196.319 2.945 10 0 AFAERN Cc1ccc(COc2cnoc2)cc1 258322094 573368580 /nfs/dbraw/zinc/36/85/80/573368580.db2.gz DJTWQMKCDWQSHL-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN Cc1cc(CCCO)cc(Cl)c1C 258008212 573368623 /nfs/dbraw/zinc/36/86/23/573368623.db2.gz CPOOEPDBEDXDSW-UHFFFAOYSA-N 0 0 198.693 2.882 10 0 AFAERN C[C@@H]1C[C@]1(C)/C=C/C(=O)OC(C)(C)C 714682606 573368633 /nfs/dbraw/zinc/36/86/33/573368633.db2.gz YFBUGBSAXLTRSB-VACNFSINSA-N 0 0 196.290 2.930 10 0 AFAERN Cc1ccc(COc2cccnc2)cc1 126134905 573368825 /nfs/dbraw/zinc/36/88/25/573368825.db2.gz HVWSATHPCGWGCW-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN CC(C)(F)CNc1ccc(F)cc1 107130892 573369774 /nfs/dbraw/zinc/36/97/74/573369774.db2.gz PNLAILLYMPASKT-UHFFFAOYSA-N 0 0 185.217 2.986 10 0 AFAERN CCSc1cc(C(C)=O)ccc1O 117768058 573369789 /nfs/dbraw/zinc/36/97/89/573369789.db2.gz MLYIJCNKLSAJLF-UHFFFAOYSA-N 0 0 196.271 2.707 10 0 AFAERN CCCCCC[C@@H](C)NOCC 133059720 573369828 /nfs/dbraw/zinc/36/98/28/573369828.db2.gz MZLCSOATYXLQMM-SNVBAGLBSA-N 0 0 173.300 2.886 10 0 AFAERN CC(C)(C)Cc1ccc(CON)cc1 258008709 573369843 /nfs/dbraw/zinc/36/98/43/573369843.db2.gz HEKVIFFPBZNHOS-UHFFFAOYSA-N 0 0 193.290 2.666 10 0 AFAERN CCCC[C@@H](C)NOCC(C)C 133106892 573369847 /nfs/dbraw/zinc/36/98/47/573369847.db2.gz HZFIHSSJIUBBLQ-SNVBAGLBSA-N 0 0 173.300 2.742 10 0 AFAERN CCSCC[C@H](C)C(=O)CC 129618207 573369900 /nfs/dbraw/zinc/36/99/00/573369900.db2.gz KMECAXCWFQCHLW-QMMMGPOBSA-N 0 0 174.309 2.745 10 0 AFAERN CCc1ccc2c(Cl)ccnc2n1 117807415 573369918 /nfs/dbraw/zinc/36/99/18/573369918.db2.gz AAAVSRLUTMIEEQ-UHFFFAOYSA-N 0 0 192.649 2.846 10 0 AFAERN Cc1ccc2oc([C@@H](C)CO)cc2c1 258008832 573369284 /nfs/dbraw/zinc/36/92/84/573369284.db2.gz XPJRMMSXBGCSIO-VIFPVBQESA-N 0 0 190.242 2.837 10 0 AFAERN C[C@@H]1C[C@]1(C)/C=C\C(=O)OC(C)(C)C 714682617 573369334 /nfs/dbraw/zinc/36/93/34/573369334.db2.gz YFBUGBSAXLTRSB-YYUOXOQSSA-N 0 0 196.290 2.930 10 0 AFAERN Cc1cc([C@H](C)CO)c(C)cc1F 258008578 573369364 /nfs/dbraw/zinc/36/93/64/573369364.db2.gz HDJFNAMYHNVKML-SECBINFHSA-N 0 0 182.238 2.538 10 0 AFAERN CCOC(=O)CC1(C2CCC2)CC1 259610179 573369459 /nfs/dbraw/zinc/36/94/59/573369459.db2.gz DSZQJYIUVAZUJR-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CCON[C@@H](CC)c1cccs1 133045250 573369471 /nfs/dbraw/zinc/36/94/71/573369471.db2.gz SINVZKNPNOBLKU-QMMMGPOBSA-N 0 0 185.292 2.740 10 0 AFAERN CCc1c[nH]c(=O)c2cccc(F)c12 258320614 573369627 /nfs/dbraw/zinc/36/96/27/573369627.db2.gz UHZNIQIYYPJFFP-UHFFFAOYSA-N 0 0 191.205 2.642 10 0 AFAERN Cc1cccc2c1[C@H]([C@@H](C)O)CS2 258324820 573369640 /nfs/dbraw/zinc/36/96/40/573369640.db2.gz WQUHQCSAUHSCLQ-BDAKNGLRSA-N 0 0 194.299 2.565 10 0 AFAERN Cc1ccc2c(C(C)(C)O)c[nH]c2c1 258324806 573369699 /nfs/dbraw/zinc/36/96/99/573369699.db2.gz WQOFNSUXNFHVKD-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](CC(F)(F)F)C1 86354998 573381309 /nfs/dbraw/zinc/38/13/09/573381309.db2.gz TVNVDSYAIYOCGF-RNFRBKRXSA-N 0 0 194.196 2.944 10 0 AFAERN CC(=O)[C@@H](C)CCC(F)(F)F 86353368 573381318 /nfs/dbraw/zinc/38/13/18/573381318.db2.gz CFDRYQUPJRLYCN-YFKPBYRVSA-N 0 0 168.158 2.554 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](CC(F)F)C1 86355034 573380651 /nfs/dbraw/zinc/38/06/51/573380651.db2.gz LVZOPVNKPCMUAD-RNFRBKRXSA-N 0 0 176.206 2.647 10 0 AFAERN CC[C@H](CC1CCC1)C(C)=O 86353615 573380662 /nfs/dbraw/zinc/38/06/62/573380662.db2.gz PQWZHBVZYJYCNF-SNVBAGLBSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@](O)(c1cccc(F)c1)C1CC1 83058599 573381341 /nfs/dbraw/zinc/38/13/41/573381341.db2.gz IQBYYTCVGDIGFX-GFCCVEGCSA-N 0 0 194.249 2.833 10 0 AFAERN CCC[C@@](O)(C1=COCCC1)C1CC1 308566346 573381342 /nfs/dbraw/zinc/38/13/42/573381342.db2.gz YLSAHQKSIVKFMV-LBPRGKRZSA-N 0 0 196.290 2.622 10 0 AFAERN O=C1CCCC[C@H]1C[C@H]1CCCCO1 86354285 573380759 /nfs/dbraw/zinc/38/07/59/573380759.db2.gz RTUGAEXVYZYIRI-WDEREUQCSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H](Nc1c(C)n[nH]c1C)C1CC1 83054967 573380791 /nfs/dbraw/zinc/38/07/91/573380791.db2.gz CFUBQFWTTUAHTJ-SNVBAGLBSA-N 0 0 193.294 2.627 10 0 AFAERN CC(=O)[C@H](C)C[C@@H]1Cc2ccccc21 86353392 573380831 /nfs/dbraw/zinc/38/08/31/573380831.db2.gz RYQITERCCJEIER-BXKDBHETSA-N 0 0 188.270 2.942 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](CCC(C)(C)O)C1 86355156 573380839 /nfs/dbraw/zinc/38/08/39/573380839.db2.gz LYUDZFBNIBSHBL-NXEZZACHSA-N 0 0 198.306 2.543 10 0 AFAERN CCC[C@@H](O)c1ccc(Cl)cc1N 83053514 573380930 /nfs/dbraw/zinc/38/09/30/573380930.db2.gz BKZNEYIUIFUFAM-SNVBAGLBSA-N 0 0 199.681 2.756 10 0 AFAERN CC1(C)CCc2cccc(F)c2N1 78043941 573380953 /nfs/dbraw/zinc/38/09/53/573380953.db2.gz CMILKVIYCQAHQJ-UHFFFAOYSA-N 0 0 179.238 2.962 10 0 AFAERN O=C1CCC[C@H]1CCC(F)(F)F 86354008 573381045 /nfs/dbraw/zinc/38/10/45/573381045.db2.gz UNJAHPLDFJGWPZ-LURJTMIESA-N 0 0 180.169 2.698 10 0 AFAERN C[C@H](OC(=O)CC(C)(C)C)C1CC1 308371895 573381070 /nfs/dbraw/zinc/38/10/70/573381070.db2.gz LGROBWDILOBZEB-QMMMGPOBSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)C(=O)CCC1CCC1 86353072 573381074 /nfs/dbraw/zinc/38/10/74/573381074.db2.gz UTJBUFPJCXGNCD-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H]1CCC(=O)[C@@H](CC(C)(C)O)C1 86355443 573381080 /nfs/dbraw/zinc/38/10/80/573381080.db2.gz NEQASKJGRYNULE-NXEZZACHSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@](O)(c1ccccc1F)C1CC1 83058691 573381167 /nfs/dbraw/zinc/38/11/67/573381167.db2.gz QKUWXWLASKRAPM-GFCCVEGCSA-N 0 0 194.249 2.833 10 0 AFAERN C/C=C\CCNC(=O)C1CCCCC1 308378321 573381176 /nfs/dbraw/zinc/38/11/76/573381176.db2.gz PRWOKWFFGBTRFO-IHWYPQMZSA-N 0 0 195.306 2.649 10 0 AFAERN CNc1cccc(-c2cc[nH]c2)c1 259432667 573381179 /nfs/dbraw/zinc/38/11/79/573381179.db2.gz ZDORRHXDFCQOLT-UHFFFAOYSA-N 0 0 172.231 2.723 10 0 AFAERN O=C1CCCC[C@@H]1CCC1CC1 86354210 573382496 /nfs/dbraw/zinc/38/24/96/573382496.db2.gz FUGMHUGGLLLGEL-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CCCCC[C@H]1CC(F)F 86354704 573382508 /nfs/dbraw/zinc/38/25/08/573382508.db2.gz WCCQXZQISWLNHU-ZETCQYMHSA-N 0 0 176.206 2.791 10 0 AFAERN CC[C@@H](C(C)=O)C1CCCC1 86353653 573382512 /nfs/dbraw/zinc/38/25/12/573382512.db2.gz YEOPAVHNNCOKHN-JTQLQIEISA-N 0 0 154.253 2.792 10 0 AFAERN C/C=C\CCNc1ccc(F)cc1N 308377068 573382550 /nfs/dbraw/zinc/38/25/50/573382550.db2.gz AYAHBXKDDOHJEH-IHWYPQMZSA-N 0 0 194.253 2.786 10 0 AFAERN CCC(=O)CCCc1scnc1C 86352905 573382564 /nfs/dbraw/zinc/38/25/64/573382564.db2.gz WSINYJXLQKGVSM-UHFFFAOYSA-N 0 0 197.303 2.753 10 0 AFAERN O=C1CCCC[C@H]1CCC1CC1 86354208 573381707 /nfs/dbraw/zinc/38/17/07/573381707.db2.gz FUGMHUGGLLLGEL-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@H](c1ccccc1)c1c[nH]cn1 118037262 573382575 /nfs/dbraw/zinc/38/25/75/573382575.db2.gz RKWZMMFBHRSNCY-LLVKDONJSA-N 0 0 186.258 2.952 10 0 AFAERN CC(C)(C)[C@]1(C)CS1 118073124 573381758 /nfs/dbraw/zinc/38/17/58/573381758.db2.gz AFAGBKWQNMBFSX-ZETCQYMHSA-N 0 0 130.256 2.538 10 0 AFAERN CON(CC=C(C)C)CCC(C)C 308370876 573381767 /nfs/dbraw/zinc/38/17/67/573381767.db2.gz QDLLTEBKZNARER-UHFFFAOYSA-N 0 0 185.311 2.862 10 0 AFAERN Cc1ccccc1[C@@H](C)c1c[nH]cn1 118040171 573381775 /nfs/dbraw/zinc/38/17/75/573381775.db2.gz BHMMGZDQUMFUEW-SNVBAGLBSA-N 0 0 186.258 2.870 10 0 AFAERN CC[C@H](C(C)=O)[C@@H]1CCCCC[C@@H]1O 86353617 573381790 /nfs/dbraw/zinc/38/17/90/573381790.db2.gz DMBVHTSZGYLSBM-WOPDTQHZSA-N 0 0 198.306 2.543 10 0 AFAERN C[C@H]1CCC(=O)[C@@H](CCC(C)(C)O)C1 86355161 573381807 /nfs/dbraw/zinc/38/18/07/573381807.db2.gz LYUDZFBNIBSHBL-UWVGGRQHSA-N 0 0 198.306 2.543 10 0 AFAERN CCC(CC)[C@H](CC1(C)CCC1)NN 308566331 573381821 /nfs/dbraw/zinc/38/18/21/573381821.db2.gz HWCJQACRUOQLAK-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN CC(=O)[C@@H](C)C[C@H]1Cc2ccccc21 86353394 573381870 /nfs/dbraw/zinc/38/18/70/573381870.db2.gz RYQITERCCJEIER-CABZTGNLSA-N 0 0 188.270 2.942 10 0 AFAERN C[C@H]1CCC(=O)[C@@H](CC(F)F)C1 86355036 573381889 /nfs/dbraw/zinc/38/18/89/573381889.db2.gz LVZOPVNKPCMUAD-NKWVEPMBSA-N 0 0 176.206 2.647 10 0 AFAERN COc1ccc2cc(Cl)[nH]c2c1 238374439 573381892 /nfs/dbraw/zinc/38/18/92/573381892.db2.gz SUSKYDLLVMIQGZ-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN CC[C@H](C(C)=O)[C@H]1CCCCC[C@@H]1O 86353621 573381919 /nfs/dbraw/zinc/38/19/19/573381919.db2.gz DMBVHTSZGYLSBM-UTUOFQBUSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)(c1ccccc1)c1c[nH]cn1 118036820 573381948 /nfs/dbraw/zinc/38/19/48/573381948.db2.gz DSQKYRIBXMYARN-UHFFFAOYSA-N 0 0 186.258 2.736 10 0 AFAERN C[C@H]1CCC(=O)[C@H](CC(F)F)C1 86355033 573381965 /nfs/dbraw/zinc/38/19/65/573381965.db2.gz LVZOPVNKPCMUAD-BQBZGAKWSA-N 0 0 176.206 2.647 10 0 AFAERN CCC[C@@H](C)OC(=O)C1CC(C)C1 308371843 573381988 /nfs/dbraw/zinc/38/19/88/573381988.db2.gz QNNODRMZLLFNEP-HWOCKDDLSA-N 0 0 184.279 2.764 10 0 AFAERN O=C1CCCCC[C@H]1C[C@@H]1CCOC1 86354708 573382046 /nfs/dbraw/zinc/38/20/46/573382046.db2.gz KBRSLENYPNVGST-QWRGUYRKSA-N 0 0 196.290 2.562 10 0 AFAERN CNc1cc(F)c(C)cc1Cl 259432899 573382148 /nfs/dbraw/zinc/38/21/48/573382148.db2.gz ZGSNCVBYPGSMGV-UHFFFAOYSA-N 0 0 173.618 2.829 10 0 AFAERN O=C1CCC[C@@H]1CCC(F)(F)F 86354006 573382176 /nfs/dbraw/zinc/38/21/76/573382176.db2.gz UNJAHPLDFJGWPZ-ZCFIWIBFSA-N 0 0 180.169 2.698 10 0 AFAERN C[C@H]1CCC(=O)[C@@H](CC2CC2)C1 86354873 573382228 /nfs/dbraw/zinc/38/22/28/573382228.db2.gz RWQGRDRNAOCOIK-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CCc2ccc(C=O)cc21 107159412 573382229 /nfs/dbraw/zinc/38/22/29/573382229.db2.gz PYMOESXQQFMFSE-QMMMGPOBSA-N 0 0 160.216 2.549 10 0 AFAERN CC[C@@](O)(c1cccs1)C1CC1 83058272 573382260 /nfs/dbraw/zinc/38/22/60/573382260.db2.gz IOXBUWXXZMGGPX-JTQLQIEISA-N 0 0 182.288 2.756 10 0 AFAERN C[C@H]1CCC(=O)[C@H](CCC(C)(C)O)C1 86355158 573382316 /nfs/dbraw/zinc/38/23/16/573382316.db2.gz LYUDZFBNIBSHBL-VHSXEESVSA-N 0 0 198.306 2.543 10 0 AFAERN CCC(=O)C[C@H]1CCC[C@H](OC)C1 86352937 573382346 /nfs/dbraw/zinc/38/23/46/573382346.db2.gz RKDHHMCXVVBHQO-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CCC1(CC(=O)CCCOC)CCC1 308567497 573382374 /nfs/dbraw/zinc/38/23/74/573382374.db2.gz INHXBPGQACYNFB-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN O=C1CCCC[C@@H]1C[C@@H]1CCCCO1 86354282 573382424 /nfs/dbraw/zinc/38/24/24/573382424.db2.gz RTUGAEXVYZYIRI-MNOVXSKESA-N 0 0 196.290 2.705 10 0 AFAERN O=C1c2ccccc2C[C@@H]1CC1CC1 86354377 573382462 /nfs/dbraw/zinc/38/24/62/573382462.db2.gz GZGYMTXWQJAKGR-NSHDSACASA-N 0 0 186.254 2.842 10 0 AFAERN COc1ccc2cc(SC)[nH]c2c1 238374876 573383694 /nfs/dbraw/zinc/38/36/94/573383694.db2.gz BRJLDOHCVXBQOF-UHFFFAOYSA-N 0 0 193.271 2.898 10 0 AFAERN CCOc1ccccc1-c1ccon1 118091883 573383701 /nfs/dbraw/zinc/38/37/01/573383701.db2.gz QAKRKZXYIGVKCX-UHFFFAOYSA-N 0 0 189.214 2.740 10 0 AFAERN C[C@@H]1CCc2ccc(C=O)cc21 107159410 573383732 /nfs/dbraw/zinc/38/37/32/573383732.db2.gz PYMOESXQQFMFSE-MRVPVSSYSA-N 0 0 160.216 2.549 10 0 AFAERN CSCc1c(C)cc(C)cc1O 238376154 573383736 /nfs/dbraw/zinc/38/37/36/573383736.db2.gz JWHFZNYSEFTZAR-UHFFFAOYSA-N 0 0 182.288 2.872 10 0 AFAERN C[C@@H]1CNc2ccc(Cl)cc2OC1 259431715 573383760 /nfs/dbraw/zinc/38/37/60/573383760.db2.gz ZFEYFOJLLVPWCR-SSDOTTSWSA-N 0 0 197.665 2.780 10 0 AFAERN O=C1CCCC[C@@H]1C[C@H]1CCCCO1 86354286 573383006 /nfs/dbraw/zinc/38/30/06/573383006.db2.gz RTUGAEXVYZYIRI-GHMZBOCLSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](CC(F)F)C1 86355031 573383012 /nfs/dbraw/zinc/38/30/12/573383012.db2.gz LVZOPVNKPCMUAD-RQJHMYQMSA-N 0 0 176.206 2.647 10 0 AFAERN Cc1c(NC(C)(C)C)n[nH]c1C1CC1 83058235 573383780 /nfs/dbraw/zinc/38/37/80/573383780.db2.gz ZOOVIZHFNWQUTM-UHFFFAOYSA-N 0 0 193.294 2.806 10 0 AFAERN CC[C@@](O)(c1ccc(F)cc1)C1CC1 83058640 573383031 /nfs/dbraw/zinc/38/30/31/573383031.db2.gz HGTGKTSYEGPACC-LBPRGKRZSA-N 0 0 194.249 2.833 10 0 AFAERN CC(=O)[C@H](C)C[C@H]1Cc2ccccc21 86353396 573383061 /nfs/dbraw/zinc/38/30/61/573383061.db2.gz RYQITERCCJEIER-SKDRFNHKSA-N 0 0 188.270 2.942 10 0 AFAERN CC[C@@H]1CCC(=O)[C@H](CC(C)(C)O)C1 86355439 573383075 /nfs/dbraw/zinc/38/30/75/573383075.db2.gz NEQASKJGRYNULE-ZJUUUORDSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@@H](C)C[C@@H](CC1(C)CCC1)NN 308567753 573383087 /nfs/dbraw/zinc/38/30/87/573383087.db2.gz IQJHNOKUPUQBGT-MNOVXSKESA-N 0 0 198.354 2.835 10 0 AFAERN O=C1CCC[C@@H]1CCC1CC1 86353995 573383091 /nfs/dbraw/zinc/38/30/91/573383091.db2.gz FRJONXJSELRQQV-SECBINFHSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@H](C)C[C@H](CC1(C)CCC1)NN 308567755 573383136 /nfs/dbraw/zinc/38/31/36/573383136.db2.gz IQJHNOKUPUQBGT-WDEREUQCSA-N 0 0 198.354 2.835 10 0 AFAERN CC[C@@H](c1ccccc1)c1c[nH]cn1 118037265 573383220 /nfs/dbraw/zinc/38/32/20/573383220.db2.gz RKWZMMFBHRSNCY-NSHDSACASA-N 0 0 186.258 2.952 10 0 AFAERN COc1cccc(F)c1OC1CCC1 238375400 573383467 /nfs/dbraw/zinc/38/34/67/573383467.db2.gz VYTMHXDKWIQSOT-UHFFFAOYSA-N 0 0 196.221 2.766 10 0 AFAERN CC[C@H](C)CNc1ccnc(OC)c1 133196613 573383471 /nfs/dbraw/zinc/38/34/71/573383471.db2.gz RJNRHPJZISUPKE-VIFPVBQESA-N 0 0 194.278 2.548 10 0 AFAERN CC[C@@H](Nc1ccc(O)cc1)C1CC1 83055325 573383493 /nfs/dbraw/zinc/38/34/93/573383493.db2.gz JQQHKVUUCWYNEN-GFCCVEGCSA-N 0 0 191.274 2.993 10 0 AFAERN CC(C)C(=O)c1ccc(Cl)cc1N 83053405 573383557 /nfs/dbraw/zinc/38/35/57/573383557.db2.gz QCBKPIYEMKCQPX-UHFFFAOYSA-N 0 0 197.665 2.761 10 0 in-vitro AFAERN Cc1ccc(Cn2cccc2C)o1 223231325 573390605 /nfs/dbraw/zinc/39/06/05/573390605.db2.gz QNOITCJQSMPBCO-UHFFFAOYSA-N 0 0 175.231 2.746 10 0 AFAERN CC(C)[C@@H]1CCc2ccc(O)cc2O1 197335497 573390613 /nfs/dbraw/zinc/39/06/13/573390613.db2.gz WXNKWAIMXZZKAI-NSHDSACASA-N 0 0 192.258 2.742 10 0 AFAERN CC[C@H](C)[C@@H]1Cc2ccccc2[C@@H]1O 86360870 573390619 /nfs/dbraw/zinc/39/06/19/573390619.db2.gz RGXDPMIHAXTAHT-XDTLVQLUSA-N 0 0 190.286 2.938 10 0 AFAERN CON(CC[C@H](C)F)C1CCCC1 308379670 573390657 /nfs/dbraw/zinc/39/06/57/573390657.db2.gz UIDXXCSNGXJGEA-VIFPVBQESA-N 0 0 189.274 2.541 10 0 AFAERN Cc1cccc([C@H](O)[C@H]2C[C@H]2C)c1 118207517 573390662 /nfs/dbraw/zinc/39/06/62/573390662.db2.gz VZFIHPZEEBGZCL-USWWRNFRSA-N 0 0 176.259 2.684 10 0 AFAERN C[C@H](F)Cc1ccccc1[C@H](C)CO 258011603 573390675 /nfs/dbraw/zinc/39/06/75/573390675.db2.gz HNNKUNURUSGXII-ZJUUUORDSA-N 0 0 196.265 2.683 10 0 AFAERN CC[C@H](C)[C@H]1Cc2cc(O)ccc2O1 197335226 573390677 /nfs/dbraw/zinc/39/06/77/573390677.db2.gz LIQNPUYKOUVYRE-QPUJVOFHSA-N 0 0 192.258 2.742 10 0 AFAERN CCCOc1cccc(SC)c1N 129797978 573390687 /nfs/dbraw/zinc/39/06/87/573390687.db2.gz XZAIIWLENGAFKK-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN C[C@H]1C[C@@H](C)Oc2cc(O)ccc21 197335361 573390708 /nfs/dbraw/zinc/39/07/08/573390708.db2.gz LSPUSNTZUFYHQW-JGVFFNPUSA-N 0 0 178.231 2.667 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](O)c1cc(F)ccc1F 118207233 573390719 /nfs/dbraw/zinc/39/07/19/573390719.db2.gz DPXKIYPELWGUBV-AZTOOPQRSA-N 0 0 198.212 2.654 10 0 AFAERN CCCCCc1nnc(CCC)o1 308379571 573390061 /nfs/dbraw/zinc/39/00/61/573390061.db2.gz UFDRMJDSPRONJZ-UHFFFAOYSA-N 0 0 182.267 2.755 10 0 AFAERN CC1(C)CC(CO)CC(C)(C)C1 78212716 573390079 /nfs/dbraw/zinc/39/00/79/573390079.db2.gz OCUOBEKZVXTIEG-UHFFFAOYSA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@@H](CO)c1ccccc1Cl 86369395 573390094 /nfs/dbraw/zinc/39/00/94/573390094.db2.gz RPDXYMZWDUVCHA-QMMMGPOBSA-N 0 0 184.666 2.826 10 0 AFAERN C[C@@H]1CC[C@@H](O)[C@H](CC(F)(F)F)C1 86361346 573390115 /nfs/dbraw/zinc/39/01/15/573390115.db2.gz KOZOSUBFYYGLSF-GJMOJQLCSA-N 0 0 196.212 2.736 10 0 AFAERN Cc1ccc([C@H](C)CO)c(Cl)c1 258011617 573390118 /nfs/dbraw/zinc/39/01/18/573390118.db2.gz HNPPXHYJCSZUBI-MRVPVSSYSA-N 0 0 184.666 2.744 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](O)c1cc(F)ccc1F 118207228 573390140 /nfs/dbraw/zinc/39/01/40/573390140.db2.gz DPXKIYPELWGUBV-CDOJRTKCSA-N 0 0 198.212 2.654 10 0 AFAERN CC1(C)CC(=O)c2cc(O)ccc2C1 118230645 573390187 /nfs/dbraw/zinc/39/01/87/573390187.db2.gz JMDHGKGBARLZMO-UHFFFAOYSA-N 0 0 190.242 2.547 10 0 AFAERN O[C@@H]1c2ccccc2C[C@H]1CC(F)F 86360799 573390192 /nfs/dbraw/zinc/39/01/92/573390192.db2.gz GCCUSNLUOMADLK-KWQFWETISA-N 0 0 198.212 2.548 10 0 AFAERN CCc1cncc2cc(C=O)ccc12 258012180 573390197 /nfs/dbraw/zinc/39/01/97/573390197.db2.gz NCJZHJWPWPFNTN-UHFFFAOYSA-N 0 0 185.226 2.610 10 0 AFAERN CC(=O)[C@H]1C[C@]1(C)C(C)(C)C 118245773 573390202 /nfs/dbraw/zinc/39/02/02/573390202.db2.gz GARHGQXEMHXDEV-SCZZXKLOSA-N 0 0 154.253 2.648 10 0 AFAERN COCc1cc2c(F)cccc2o1 258012413 573390211 /nfs/dbraw/zinc/39/02/11/573390211.db2.gz LSJRBFLCXLXDSB-UHFFFAOYSA-N 0 0 180.178 2.718 10 0 AFAERN O[C@@H]1CCCCC[C@H]1CC(F)(F)F 86360615 573390327 /nfs/dbraw/zinc/39/03/27/573390327.db2.gz NOGZIKKOYRLNEB-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN O[C@@H]1c2ccccc2C[C@@H]1CC1CC1 86360720 573390341 /nfs/dbraw/zinc/39/03/41/573390341.db2.gz MMZVFZHEIAAOSO-AAEUAGOBSA-N 0 0 188.270 2.692 10 0 AFAERN O[C@H]1c2ccccc2C[C@H]1CC(F)F 86360804 573390369 /nfs/dbraw/zinc/39/03/69/573390369.db2.gz GCCUSNLUOMADLK-GZMMTYOYSA-N 0 0 198.212 2.548 10 0 AFAERN CC[C@@H](C)[C@@H]1Cc2ccc(O)cc2O1 197335408 573390376 /nfs/dbraw/zinc/39/03/76/573390376.db2.gz HDFMCHDNCBIYHY-KCJUWKMLSA-N 0 0 192.258 2.742 10 0 AFAERN O[C@H]1c2ccccc2C[C@H]1CC1CC1 86360728 573390424 /nfs/dbraw/zinc/39/04/24/573390424.db2.gz MMZVFZHEIAAOSO-DGCLKSJQSA-N 0 0 188.270 2.692 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@H](C2CCCC2)C1 86361380 573390441 /nfs/dbraw/zinc/39/04/41/573390441.db2.gz IRABXDDOUMGFGU-USWWRNFRSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)c1ccc(F)c(C[C@@H](C)O)c1 258011609 573390442 /nfs/dbraw/zinc/39/04/42/573390442.db2.gz HNPLVQPVGGXSLL-SECBINFHSA-N 0 0 196.265 2.872 10 0 AFAERN O[C@@H]1CCCCC[C@@H]1CC(F)(F)F 86360613 573390449 /nfs/dbraw/zinc/39/04/49/573390449.db2.gz NOGZIKKOYRLNEB-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN CC(C)[C@H](C1CCCC1)[C@H](C)O 86362960 573390490 /nfs/dbraw/zinc/39/04/90/573390490.db2.gz KIHITCJALOWQMR-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN CSCc1scnc1Cl 238379399 573390533 /nfs/dbraw/zinc/39/05/33/573390533.db2.gz PKLHGYCUYHCYCT-UHFFFAOYSA-N 0 0 179.697 2.660 10 0 AFAERN CC(C)COc1ccc2c(c1)CCN2 258012316 573390540 /nfs/dbraw/zinc/39/05/40/573390540.db2.gz MVXCQMNZAJHZTE-UHFFFAOYSA-N 0 0 191.274 2.689 10 0 AFAERN COc1ccc(O)c(OC(C)(C)C)c1 238378573 573390550 /nfs/dbraw/zinc/39/05/50/573390550.db2.gz DGRIQZPZVPPEEJ-UHFFFAOYSA-N 0 0 196.246 2.578 10 0 AFAERN CSCc1nc(C)ccc1C 238378917 573392208 /nfs/dbraw/zinc/39/22/08/573392208.db2.gz LJIHZVSJSOWETM-UHFFFAOYSA-N 0 0 167.277 2.561 10 0 AFAERN COc1cc(C)cc2occc12 238378053 573392224 /nfs/dbraw/zinc/39/22/24/573392224.db2.gz QXRSJCCEZOQDBN-UHFFFAOYSA-N 0 0 162.188 2.750 10 0 AFAERN CCO[C@H](C[C@H](C)O)c1ccccc1 308570219 573392242 /nfs/dbraw/zinc/39/22/42/573392242.db2.gz DMKFUSOXUNRJHT-CMPLNLGQSA-N 0 0 194.274 2.535 10 0 AFAERN CC[C@@H](C)[C@@H](O)CC(C)(C)C 86388145 573392916 /nfs/dbraw/zinc/39/29/16/573392916.db2.gz JHHGGYCQTXZCTL-BDAKNGLRSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@](C)(OC)C(=O)CC1(C)CCC1 308570644 573392397 /nfs/dbraw/zinc/39/23/97/573392397.db2.gz KCIOSKNRXNLMLB-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN O[C@@H]1CCC[C@@H]1/C=C\c1ccccc1 308569323 573392412 /nfs/dbraw/zinc/39/24/12/573392412.db2.gz DANWABJNNYYHEU-CYZFJHGLSA-N 0 0 188.270 2.861 10 0 AFAERN C[C@@H](O)/C=C/C=C1CCCCC1 238379369 573392500 /nfs/dbraw/zinc/39/25/00/573392500.db2.gz OBDKLJSEJDFHFO-BRAIEQGRSA-N 0 0 166.264 2.814 10 0 AFAERN COc1cc(C)cc2sncc12 238378124 573392508 /nfs/dbraw/zinc/39/25/08/573392508.db2.gz HYZVQPAJYFZDQJ-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CC[C@@H](C)[C@](O)(CC)C1CC1 86388312 573392519 /nfs/dbraw/zinc/39/25/19/573392519.db2.gz FYHPHEQOTDNPQX-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC/C=C/[C@H](O)[C@H]1CCC=CO1 308569287 573392657 /nfs/dbraw/zinc/39/26/57/573392657.db2.gz CZPVWDIQNMMCSZ-JZUADKBYSA-N 0 0 196.290 2.786 10 0 AFAERN CC[C@@H](C)[C@H]1Cc2cc(O)ccc2O1 197335219 573392674 /nfs/dbraw/zinc/39/26/74/573392674.db2.gz LIQNPUYKOUVYRE-PRHODGIISA-N 0 0 192.258 2.742 10 0 AFAERN CC[C@H](C)[C@@H]1Cc2ccc(O)cc2O1 197335417 573392692 /nfs/dbraw/zinc/39/26/92/573392692.db2.gz HDFMCHDNCBIYHY-KWQFWETISA-N 0 0 192.258 2.742 10 0 AFAERN Cc1c(O)ccc2ccc(O)cc12 118301981 573392697 /nfs/dbraw/zinc/39/26/97/573392697.db2.gz BYBFOQWWIFRUCH-UHFFFAOYSA-N 0 0 174.199 2.559 10 0 AFAERN CCCC/C=C\[C@H](O)[C@@H]1CCC=CO1 308569293 573392699 /nfs/dbraw/zinc/39/26/99/573392699.db2.gz CZPVWDIQNMMCSZ-MUDVKMOPSA-N 0 0 196.290 2.786 10 0 AFAERN CSc1ccc2c(c1)OCCC2 238378166 573392712 /nfs/dbraw/zinc/39/27/12/573392712.db2.gz MHERLXPLTGKWIQ-UHFFFAOYSA-N 0 0 180.272 2.734 10 0 AFAERN CC[C@H](C)[C@H](O)CC(C)(C)C 86388143 573392772 /nfs/dbraw/zinc/39/27/72/573392772.db2.gz JHHGGYCQTXZCTL-DTWKUNHWSA-N 0 0 158.285 2.830 10 0 AFAERN CCO[C@@H](C[C@@H](C)O)c1ccccc1 308570223 573392790 /nfs/dbraw/zinc/39/27/90/573392790.db2.gz DMKFUSOXUNRJHT-PWSUYJOCSA-N 0 0 194.274 2.535 10 0 AFAERN CC(C)=C(C)C/C=C/[C@@H](C)O 238379569 573392876 /nfs/dbraw/zinc/39/28/76/573392876.db2.gz GFSJLBPGBZKRKI-BREXMAIKSA-N 0 0 154.253 2.670 10 0 AFAERN CC(C)CC(=O)N[C@@H](C)c1ccco1 74851315 573397903 /nfs/dbraw/zinc/39/79/03/573397903.db2.gz WWNZURFSWLULRG-VIFPVBQESA-N 0 0 195.262 2.503 10 0 AFAERN CC(C)[C@@H]1CCCN1C(=O)C(C)(C)C 74836396 573397467 /nfs/dbraw/zinc/39/74/67/573397467.db2.gz RQTFMGDLIBKGBC-JTQLQIEISA-N 0 0 197.322 2.680 10 0 AFAERN COC1=C2CCC[C@H](O)[C@]2(C)CCC1 238387015 573397476 /nfs/dbraw/zinc/39/74/76/573397476.db2.gz MZWSAEFTJHDHSA-NWDGAFQWSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)C12CCC(O)(CC1)CC2 258495415 573397556 /nfs/dbraw/zinc/39/75/56/573397556.db2.gz CUZKPXPZNHNDNG-UHFFFAOYSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cc(C(C)(C)O)c(C)c(C)c1O 259437312 573397638 /nfs/dbraw/zinc/39/76/38/573397638.db2.gz LKQTYMVWKPPLMF-UHFFFAOYSA-N 0 0 194.274 2.545 10 0 AFAERN Cc1cc2nc(Cl)n(C)c2cc1F 107189086 573409474 /nfs/dbraw/zinc/40/94/74/573409474.db2.gz SYNQLQDZRWPCSI-UHFFFAOYSA-N 0 0 198.628 2.674 10 0 AFAERN O=Cc1cc(-c2ccc(F)cc2)c[nH]1 259102140 573408955 /nfs/dbraw/zinc/40/89/55/573408955.db2.gz FNUUDXSTYCUYOO-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN Cc1noc2cc(C=O)c(Cl)cc12 259441449 573409137 /nfs/dbraw/zinc/40/91/37/573409137.db2.gz OWFKAVYHZGLEHS-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN O=Cc1cc(F)ccc1C(F)F 118488753 573409243 /nfs/dbraw/zinc/40/92/43/573409243.db2.gz XAUAQKQEBQYNBO-UHFFFAOYSA-N 0 0 174.121 2.576 10 0 AFAERN CC/C=C/C(=O)OCCC1CCC1 308385270 573409391 /nfs/dbraw/zinc/40/93/91/573409391.db2.gz WNSPTWRAPMZILT-XVNBXDOJSA-N 0 0 182.263 2.686 10 0 AFAERN Clc1nc(-c2cc[nH]c2)cs1 259099048 573409427 /nfs/dbraw/zinc/40/94/27/573409427.db2.gz ALOTYNYBAJUWPV-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN CC(C)c1nc2c(s1)CCC[C@H]2O 83117323 573410377 /nfs/dbraw/zinc/41/03/77/573410377.db2.gz JYTYVUNSRNEWRF-SSDOTTSWSA-N 0 0 197.303 2.636 10 0 AFAERN C[C@H]1C[C@]12CNc1c(F)cc(F)cc12 235591325 573410486 /nfs/dbraw/zinc/41/04/86/573410486.db2.gz IVPCUBIVAHJSAI-KGFZYKRKSA-N 0 0 195.212 2.668 10 0 AFAERN CCCc1nc2c(s1)CCCC2=O 83117020 573410597 /nfs/dbraw/zinc/41/05/97/573410597.db2.gz GJFFSGLIMXETHZ-UHFFFAOYSA-N 0 0 195.287 2.615 10 0 AFAERN C[C@H]1CC(C)(C)C[C@H]1Nc1cn[nH]c1 235592542 573410718 /nfs/dbraw/zinc/41/07/18/573410718.db2.gz WKOLCRKHLBQMAX-WCBMZHEXSA-N 0 0 193.294 2.646 10 0 AFAERN CC(C)=CCN[C@H](C)c1coc(C)n1 308577024 573410749 /nfs/dbraw/zinc/41/07/49/573410749.db2.gz NCYCWTLHSXJJGD-SECBINFHSA-N 0 0 194.278 2.600 10 0 AFAERN CCC(CC)n1cc(C(C)=O)nc1C 308577698 573410802 /nfs/dbraw/zinc/41/08/02/573410802.db2.gz IJDAFUCEKSBEKL-UHFFFAOYSA-N 0 0 194.278 2.755 10 0 AFAERN C[C@H](/C=C/CCc1ccccc1)CO 308579055 573417344 /nfs/dbraw/zinc/41/73/44/573417344.db2.gz IVHJYQRGFJNSQK-HOSRBBHYSA-N 0 0 190.286 2.804 10 0 AFAERN C/C=C\c1ccc(NCCCO)cc1 308579774 573417452 /nfs/dbraw/zinc/41/74/52/573417452.db2.gz GAUYUJSOOMDVIZ-RQOWECAXSA-N 0 0 191.274 2.514 10 0 AFAERN CO[C@@H](C(=O)CC1(C)CCC1)C(C)C 308579877 573417480 /nfs/dbraw/zinc/41/74/80/573417480.db2.gz OPWQBWKYOYXXEH-LLVKDONJSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cc([C@@H](C)O)c(C)c(C)c1C 238383780 573417558 /nfs/dbraw/zinc/41/75/58/573417558.db2.gz PLVVQGINHSXQGM-LLVKDONJSA-N 0 0 178.275 2.974 10 0 AFAERN C[C@@H](/C=C/CCc1ccccc1)CO 308579057 573417674 /nfs/dbraw/zinc/41/76/74/573417674.db2.gz IVHJYQRGFJNSQK-PZBABLGHSA-N 0 0 190.286 2.804 10 0 AFAERN CCn1ccc2cccc(C(C)=O)c21 258336528 573417762 /nfs/dbraw/zinc/41/77/62/573417762.db2.gz YMYBLNVHAYQTFF-UHFFFAOYSA-N 0 0 187.242 2.864 10 0 AFAERN Cc1oc(C(C)(C)C)cc1[C@@H](C)O 238383521 573418001 /nfs/dbraw/zinc/41/80/01/573418001.db2.gz HEPWUWLNVIGOKD-SSDOTTSWSA-N 0 0 182.263 2.939 10 0 AFAERN CC(C)Cc1onc2ccc(O)cc12 257810765 573422010 /nfs/dbraw/zinc/42/20/10/573422010.db2.gz APMBOGRGKJVFEV-UHFFFAOYSA-N 0 0 191.230 2.732 10 0 AFAERN COc1ccc(O/C=C/Cl)cc1 238391160 573422164 /nfs/dbraw/zinc/42/21/64/573422164.db2.gz OWWDPQSYQYRQPA-VOTSOKGWSA-N 0 0 184.622 2.784 10 0 AFAERN CC/C=C(\C)C(=O)O[C@H](C)C1CC1 308381228 573422110 /nfs/dbraw/zinc/42/21/10/573422110.db2.gz UTXDWRYRRLKZEP-WHXYTISESA-N 0 0 182.263 2.684 10 0 AFAERN CC[C@H](C)COc1cccc(N)c1 50423229 573421463 /nfs/dbraw/zinc/42/14/63/573421463.db2.gz YXCRMSKSEVZBNW-VIFPVBQESA-N 0 0 179.263 2.694 10 0 AFAERN CCc1nc(Cl)c2cccc(C)n12 258025571 573421501 /nfs/dbraw/zinc/42/15/01/573421501.db2.gz AMIPHSMTBGQUNI-UHFFFAOYSA-N 0 0 194.665 2.859 10 0 AFAERN C[C@@H]1CCC2=C(CCC(=S)N2)C1 238399364 573421587 /nfs/dbraw/zinc/42/15/87/573421587.db2.gz ARRBRBZOFDVXGI-SSDOTTSWSA-N 0 0 181.304 2.771 10 0 AFAERN C[C@@H](C1CCC1)n1cccc1C=O 124319038 573421593 /nfs/dbraw/zinc/42/15/93/573421593.db2.gz LBBHNVJCPGIPAO-VIFPVBQESA-N 0 0 177.247 2.662 10 0 AFAERN CC[C@@H](C)C[C@@H]1CCCC[C@@H]1O 50428129 573421601 /nfs/dbraw/zinc/42/16/01/573421601.db2.gz DZVUYRSRMDBYHG-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C(=O)Cc1ccncc1Cl 83141677 573421602 /nfs/dbraw/zinc/42/16/02/573421602.db2.gz LVJXWOVESBTDGD-UHFFFAOYSA-N 0 0 197.665 2.503 10 0 AFAERN C[C@H](CO)c1c(F)ccc2occc12 258024630 573421612 /nfs/dbraw/zinc/42/16/12/573421612.db2.gz ILCSIUNCNDJLIY-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN CCCCCC(=O)O[C@]1(C)C[C@@H]1C 308381165 573421698 /nfs/dbraw/zinc/42/16/98/573421698.db2.gz URCRCTHYFBNBLL-GXSJLCMTSA-N 0 0 184.279 2.908 10 0 AFAERN CCc1ccc([C@@H](O)C(F)F)cc1 83137951 573422180 /nfs/dbraw/zinc/42/21/80/573422180.db2.gz NGSISPQXPVUGNM-SECBINFHSA-N 0 0 186.201 2.548 10 0 AFAERN CC[C@@H](C)COc1cccc(N)c1 50423227 573421776 /nfs/dbraw/zinc/42/17/76/573421776.db2.gz YXCRMSKSEVZBNW-SECBINFHSA-N 0 0 179.263 2.694 10 0 AFAERN CC[C@H](C)C[C@H](CC)[C@@H](C)O 50428107 573421807 /nfs/dbraw/zinc/42/18/07/573421807.db2.gz CUISXVJWGGCVBB-AEJSXWLSSA-N 0 0 158.285 2.830 10 0 AFAERN CCc1ccc(-c2ccno2)cc1 83141826 573421862 /nfs/dbraw/zinc/42/18/62/573421862.db2.gz KXYOJNLBRXXCTE-UHFFFAOYSA-N 0 0 173.215 2.904 10 0 AFAERN CC(C)C1CCC(C)(CO)CC1 118698104 573421928 /nfs/dbraw/zinc/42/19/28/573421928.db2.gz HLBNRIHXRINLIY-UHFFFAOYSA-N 0 0 170.296 2.831 10 0 AFAERN CCCCCC(=O)O[C@@]1(C)C[C@@H]1C 308381170 573421967 /nfs/dbraw/zinc/42/19/67/573421967.db2.gz URCRCTHYFBNBLL-ONGXEEELSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)CC[C@H](O)c1ccncc1F 133797031 573427050 /nfs/dbraw/zinc/42/70/50/573427050.db2.gz LRAKNJSFSCALII-NSHDSACASA-N 0 0 197.253 2.690 10 0 AFAERN CCC[C@](C)(CO)C1CCCC1 129990791 573427067 /nfs/dbraw/zinc/42/70/67/573427067.db2.gz YEPCWTADFDFHEY-LLVKDONJSA-N 0 0 170.296 2.975 10 0 AFAERN CC(C)c1ccc([C@H](C)NC=O)cc1 83145144 573427069 /nfs/dbraw/zinc/42/70/69/573427069.db2.gz KRPDFBFJBHJVJJ-JTQLQIEISA-N 0 0 191.274 2.617 10 0 AFAERN CSc1cc(C)ccc1[C@H](C)O 258027483 573426301 /nfs/dbraw/zinc/42/63/01/573426301.db2.gz IPPDUPRSZBEPBH-QMMMGPOBSA-N 0 0 182.288 2.770 10 0 AFAERN CCOC1=CC(C)=C(CO)C(C)(C)C1 144166772 573426363 /nfs/dbraw/zinc/42/63/63/573426363.db2.gz FQKFCFAINYWBMV-UHFFFAOYSA-N 0 0 196.290 2.646 10 0 AFAERN CS[C@@]1(C)CCCCC(=O)C1 238391035 573426372 /nfs/dbraw/zinc/42/63/72/573426372.db2.gz RRPCRBWZDGWRRM-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN C[C@@H]1C(=O)C[C@H]2CCCC[C@@]12C 238391085 573426410 /nfs/dbraw/zinc/42/64/10/573426410.db2.gz HEIYAEHLGWVKAZ-KKZNHRDASA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1C(=O)C[C@]2(C)CCC[C@@]12C 238391144 573426433 /nfs/dbraw/zinc/42/64/33/573426433.db2.gz PFYDDPCFHQLGKX-MIMYLULJSA-N 0 0 166.264 2.792 10 0 AFAERN CCC[C@@H](CO)C1CCCCC1 129998731 573426498 /nfs/dbraw/zinc/42/64/98/573426498.db2.gz HEENDJGXFYDIRV-NSHDSACASA-N 0 0 170.296 2.975 10 0 AFAERN Cc1coc([C@]2(O)CCC2(C)C)c1 715805298 573426535 /nfs/dbraw/zinc/42/65/35/573426535.db2.gz AXRAXJVNKOPESB-LLVKDONJSA-N 0 0 180.247 2.596 10 0 AFAERN C[C@H](CO)c1cc([C@@H](C)F)ccc1O 258028570 573426536 /nfs/dbraw/zinc/42/65/36/573426536.db2.gz FALOEDUNRMPOAQ-HTQZYQBOSA-N 0 0 198.237 2.519 10 0 AFAERN Cc1cccc(C(C)C)c1NC=O 83145690 573426565 /nfs/dbraw/zinc/42/65/65/573426565.db2.gz AGQHHQBPWFUSCN-UHFFFAOYSA-N 0 0 177.247 2.687 10 0 AFAERN O=C1CC[C@@H](c2ccc(Cl)nc2)C1 118830136 573426608 /nfs/dbraw/zinc/42/66/08/573426608.db2.gz CZMKDIBSPZQOJW-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN C[C@@H]1CC(C)(C)c2cc(O)ccc2N1 258028813 573426934 /nfs/dbraw/zinc/42/69/34/573426934.db2.gz OYLXNMVWZPJWBO-MRVPVSSYSA-N 0 0 191.274 2.874 10 0 AFAERN O=C1CC[C@@H]2CCC[C@H](C1)C2 118816018 573427016 /nfs/dbraw/zinc/42/70/16/573427016.db2.gz DJESQWHUGRPJNK-IUCAKERBSA-N 0 0 152.237 2.546 10 0 AFAERN CCON[C@H](C)c1ccccc1C 133787488 573429892 /nfs/dbraw/zinc/42/98/92/573429892.db2.gz SPEZHQDKWJLHOE-SNVBAGLBSA-N 0 0 179.263 2.597 10 0 AFAERN Oc1ccc([C@H]2C[C@H]2C(F)F)cc1 257812437 573429924 /nfs/dbraw/zinc/42/99/24/573429924.db2.gz BQPWDROYTWLUMR-RKDXNWHRSA-N 0 0 184.185 2.761 10 0 AFAERN C/C=C\CC[NH2+][C@@H](C)c1ccccn1 308389815 573430077 /nfs/dbraw/zinc/43/00/77/573430077.db2.gz HVHLLYLFULAKTM-BYCRGOAPSA-N 0 0 190.290 2.698 10 0 AFAERN CCOC(=O)/C(C)=C(\C)c1ccoc1 308389819 573430104 /nfs/dbraw/zinc/43/01/04/573430104.db2.gz HVVBFUMCMIVRQQ-CMDGGOBGSA-N 0 0 194.230 2.636 10 0 AFAERN Cc1ccc(F)c(NC2=NCCC2)c1 86454509 573430108 /nfs/dbraw/zinc/43/01/08/573430108.db2.gz VOODIHCXJONXOK-UHFFFAOYSA-N 0 0 192.237 2.738 10 0 AFAERN CCON[C@@H](C)c1ccccc1C 133787279 573430268 /nfs/dbraw/zinc/43/02/68/573430268.db2.gz SPEZHQDKWJLHOE-JTQLQIEISA-N 0 0 179.263 2.597 10 0 AFAERN CC(C)COc1ccc2cc[nH]c2n1 144145866 573430514 /nfs/dbraw/zinc/43/05/14/573430514.db2.gz SWMUTSFNFHNXOW-UHFFFAOYSA-N 0 0 190.246 2.598 10 0 AFAERN COc1ccc2c(c1)SCCC2 238397825 573442206 /nfs/dbraw/zinc/44/22/06/573442206.db2.gz HZWJBTCYBHBUFB-UHFFFAOYSA-N 0 0 180.272 2.734 10 0 AFAERN Cc1cc(Cl)c(C=O)cc1C 83230439 573442270 /nfs/dbraw/zinc/44/22/70/573442270.db2.gz QQRDNUNVQPAARM-UHFFFAOYSA-N 0 0 168.623 2.769 10 0 AFAERN Nc1c[nH]cc1-c1ccccc1Cl 258037676 573441660 /nfs/dbraw/zinc/44/16/60/573441660.db2.gz DIIKCGFPOSQPHO-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN Nc1ccc2cc(C(F)F)oc2c1 107256353 573444984 /nfs/dbraw/zinc/44/49/84/573444984.db2.gz RUOCPMZEVCLSHD-UHFFFAOYSA-N 0 0 183.157 2.953 10 0 AFAERN Cc1ccc2cc(C(C)(C)O)[nH]c2c1 258022781 573445003 /nfs/dbraw/zinc/44/50/03/573445003.db2.gz DHOSPVFPBPLLEE-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN C[C@@H]1CC2=C(CCCCC2)[C@H]1O 238396739 573445011 /nfs/dbraw/zinc/44/50/11/573445011.db2.gz ILELJPXSPLIERO-KCJUWKMLSA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)n1c(Cl)cnc1NC1CC1 258654558 573445106 /nfs/dbraw/zinc/44/51/06/573445106.db2.gz WXYNRIPETDYDTN-UHFFFAOYSA-N 0 0 199.685 2.692 10 0 AFAERN Cc1cc2cc([C@@H](C)O)ccc2n1C 258022455 573445122 /nfs/dbraw/zinc/44/51/22/573445122.db2.gz JPTHUIHXQXBDEU-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CC1(C)C[C@H](F)c2cc(N)ccc2O1 107255724 573445267 /nfs/dbraw/zinc/44/52/67/573445267.db2.gz FYQJKGITPPYJIK-VIFPVBQESA-N 0 0 195.237 2.841 10 0 AFAERN Nc1ccc([C@@H]2CCCS2)cc1 257816717 573445420 /nfs/dbraw/zinc/44/54/20/573445420.db2.gz DJEBVNJNKLSMMN-JTQLQIEISA-N 0 0 179.288 2.837 10 0 AFAERN CCCCC/C=C\[C@H](C)CO 220264432 573445500 /nfs/dbraw/zinc/44/55/00/573445500.db2.gz GJUPXRSJCPOZKL-DMEOUFDRSA-N 0 0 156.269 2.751 10 0 AFAERN CC(C)(CF)c1ccccc1N 258495835 573445535 /nfs/dbraw/zinc/44/55/35/573445535.db2.gz KOXQRUZLJZDYSX-UHFFFAOYSA-N 0 0 167.227 2.516 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@@H](O)CC2CC2)C1 224906837 573445557 /nfs/dbraw/zinc/44/55/57/573445557.db2.gz ZDWYSZCEOOCKCL-JLLWLGSASA-N 0 0 182.307 2.974 10 0 AFAERN COc1cc(OC(C)C)ccc1F 238400685 573454045 /nfs/dbraw/zinc/45/40/45/573454045.db2.gz FFWYDVWGGCWBLS-UHFFFAOYSA-N 0 0 184.210 2.622 10 0 AFAERN CC(C)Cc1o[nH]c2cc(=O)ccc1-2 257817285 573453578 /nfs/dbraw/zinc/45/35/78/573453578.db2.gz DULDCEKVYHZIHA-UHFFFAOYSA-N 0 0 191.230 2.732 10 0 AFAERN C[C@H]1C[C@@H](C)c2ccc(O)cc2N1 257817394 573453695 /nfs/dbraw/zinc/45/36/95/573453695.db2.gz DQXDZKQBHHRUQB-SFYZADRCSA-N 0 0 177.247 2.700 10 0 AFAERN CCCc1cc(C)c(C)[nH]1 142551273 573453712 /nfs/dbraw/zinc/45/37/12/573453712.db2.gz MWGNCWSWDROKAZ-UHFFFAOYSA-N 0 0 137.226 2.584 10 0 AFAERN C[C@@H]1C[C@@H](C)c2ccc(O)cc2N1 257817390 573453733 /nfs/dbraw/zinc/45/37/33/573453733.db2.gz DQXDZKQBHHRUQB-HTQZYQBOSA-N 0 0 177.247 2.700 10 0 AFAERN CC(C)=C=CC=C=C[C@H](C)[C@@H](C)O 238406295 573453896 /nfs/dbraw/zinc/45/38/96/573453896.db2.gz OZNBYIXXHUFGGL-FRJORHAFSA-N 0 0 178.275 2.836 10 0 AFAERN C[C@@H]1C=CC[C@]12CCCCC2=O 238402570 573458904 /nfs/dbraw/zinc/45/89/04/573458904.db2.gz LIYBNLMHXAPJAS-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN Oc1ccc2c(c1)[C@H](F)CCC2 107267236 573458280 /nfs/dbraw/zinc/45/82/80/573458280.db2.gz LZULUEJWZZYTBX-SNVBAGLBSA-N 0 0 166.195 2.739 10 0 AFAERN C/C(=C/CO)c1cc2ccccc2o1 142604970 573458295 /nfs/dbraw/zinc/45/82/95/573458295.db2.gz NGOQMODUFXGLOI-TWGQIWQCSA-N 0 0 188.226 2.828 10 0 AFAERN Nc1cccc2c1CCC[C@H]2F 107267186 573458473 /nfs/dbraw/zinc/45/84/73/573458473.db2.gz LKMORHPZJJOQSF-SECBINFHSA-N 0 0 165.211 2.616 10 0 AFAERN Oc1ccc2c(c1)CCC[C@H]2F 107267233 573458528 /nfs/dbraw/zinc/45/85/28/573458528.db2.gz JDLUCCDUGBVXKI-SNVBAGLBSA-N 0 0 166.195 2.739 10 0 AFAERN C[C@@H]1C=CC[C@@]2(C)CCCC(=O)[C@@H]12 238402097 573458540 /nfs/dbraw/zinc/45/85/40/573458540.db2.gz KFKXLNGPZIVILK-JLLWLGSASA-N 0 0 178.275 2.958 10 0 AFAERN CCCC[C@@H](C)CC=O 142649298 573458578 /nfs/dbraw/zinc/45/85/78/573458578.db2.gz NYVVXGSBLVADPZ-HYDMIIDASA-N 0 0 128.215 2.884 10 0 AFAERN Cc1cc2cccc(=O)c-2c(Cl)[nH]1 258354401 573458617 /nfs/dbraw/zinc/45/86/17/573458617.db2.gz WCLNWWXNRZIRCD-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CSC1C(=O)Nc2c(C)cccc21 238402389 573458630 /nfs/dbraw/zinc/45/86/30/573458630.db2.gz YQUTXDRTMPIZGX-UHFFFAOYSA-N 0 0 193.271 2.904 10 0 AFAERN CC(C)(C)C1C(=O)C=NN1C(C)(C)C 257817732 573458730 /nfs/dbraw/zinc/45/87/30/573458730.db2.gz DYKGUFDBUOYSLY-UHFFFAOYSA-N 0 0 196.294 2.641 10 0 AFAERN O=Cc1ccc2c(c1)[C@H](F)CCC2 107267141 573458742 /nfs/dbraw/zinc/45/87/42/573458742.db2.gz AMXYNJPIKUVVMF-LLVKDONJSA-N 0 0 178.206 2.846 10 0 AFAERN COc1cc2c(cc1O)CCC2(C)C 238402151 573458745 /nfs/dbraw/zinc/45/87/45/573458745.db2.gz NSRLIYCBMLBYQL-UHFFFAOYSA-N 0 0 192.258 2.625 10 0 AFAERN Oc1cccc2c1CCC[C@@H]2F 107267241 573458767 /nfs/dbraw/zinc/45/87/67/573458767.db2.gz QKZXIPXPQDSICE-VIFPVBQESA-N 0 0 166.195 2.739 10 0 AFAERN O=Cc1ccc(O[C@@H]2C=CCC2)cc1 257814253 573458820 /nfs/dbraw/zinc/45/88/20/573458820.db2.gz CNBZDWJTUNHXMT-LLVKDONJSA-N 0 0 188.226 2.597 10 0 AFAERN CSC1C(=O)Nc2ccccc21 238402405 573459651 /nfs/dbraw/zinc/45/96/51/573459651.db2.gz IBLUVZHBUVLHSL-UHFFFAOYSA-N 0 0 179.244 2.595 10 0 AFAERN Cc1cccc2c(C(C)(C)O)c[nH]c12 258368040 573459675 /nfs/dbraw/zinc/45/96/75/573459675.db2.gz ZSKUKIDYDLQIPC-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN Cl/C=C/c1nc2ccccc2[nH]1 213778423 573459704 /nfs/dbraw/zinc/45/97/04/573459704.db2.gz HZNHHKQUAUGNCF-AATRIKPKSA-N 0 0 178.622 2.772 10 0 AFAERN Cc1cc2ccccc2nc1[C@@H](C)O 238402454 573459751 /nfs/dbraw/zinc/45/97/51/573459751.db2.gz IXNPWGXACWGSGF-SECBINFHSA-N 0 0 187.242 2.597 10 0 AFAERN CSC(=O)N[C@@H](C)c1ccccc1 238402901 573459757 /nfs/dbraw/zinc/45/97/57/573459757.db2.gz IQBZNKIGXKGFSJ-QMMMGPOBSA-N 0 0 195.287 2.820 10 0 AFAERN Cc1cccc2occ([C@@H](C)CO)c12 258032492 573459778 /nfs/dbraw/zinc/45/97/78/573459778.db2.gz ZESRKGFREMIFBE-VIFPVBQESA-N 0 0 190.242 2.837 10 0 AFAERN CC(C)(C)[C@H](CO)c1ccccc1O 258033661 573459821 /nfs/dbraw/zinc/45/98/21/573459821.db2.gz IVMUORJLWVIBQF-SNVBAGLBSA-N 0 0 194.274 2.514 10 0 AFAERN Cc1c(N)ccc2c(F)cccc12 258372228 573459822 /nfs/dbraw/zinc/45/98/22/573459822.db2.gz XFXJNDGPNOSGGO-UHFFFAOYSA-N 0 0 175.206 2.870 10 0 AFAERN Cc1cc(C)c(F)c(C(C)(C)O)c1 258033714 573459828 /nfs/dbraw/zinc/45/98/28/573459828.db2.gz JGYOOJWETNYBCP-UHFFFAOYSA-N 0 0 182.238 2.670 10 0 AFAERN CCCc1cc2cc(N)ccc2[nH]1 142630644 573459893 /nfs/dbraw/zinc/45/98/93/573459893.db2.gz VXLUXESZZVGGQJ-UHFFFAOYSA-N 0 0 174.247 2.703 10 0 AFAERN COC[C@H](C)CNc1ccc(C)cc1 130175724 573459959 /nfs/dbraw/zinc/45/99/59/573459959.db2.gz VNMVLAYNRUPVAI-LLVKDONJSA-N 0 0 193.290 2.689 10 0 AFAERN Cc1cc(O)cc2sccc12 142635604 573459979 /nfs/dbraw/zinc/45/99/79/573459979.db2.gz DOABSOCZSJSNRE-UHFFFAOYSA-N 0 0 164.229 2.915 10 0 AFAERN C[C@@H]1C=CC[C@]2(C)CCCC(=O)[C@@H]12 238402592 573459982 /nfs/dbraw/zinc/45/99/82/573459982.db2.gz KFKXLNGPZIVILK-YUSALJHKSA-N 0 0 178.275 2.958 10 0 AFAERN Clc1ccc2c(c1)OCCCCN2 258372911 573459983 /nfs/dbraw/zinc/45/99/83/573459983.db2.gz SGNNNCPIOMMWJF-UHFFFAOYSA-N 0 0 197.665 2.925 10 0 AFAERN Cc1ccc2c(c1)[nH]c1c[nH]c(=O)cc12 258033402 573460031 /nfs/dbraw/zinc/46/00/31/573460031.db2.gz ITVODSVMFRIABI-UHFFFAOYSA-N 0 0 198.225 2.730 10 0 AFAERN Cc1c(Cl)n(C)c2c(O)cccc12 258034013 573460059 /nfs/dbraw/zinc/46/00/59/573460059.db2.gz SMVFEGSNHQGNTC-UHFFFAOYSA-N 0 0 195.649 2.846 10 0 AFAERN C[C@@H]1C=CC[C@@H]2C(=O)CCC[C@@H]12 238402513 573460099 /nfs/dbraw/zinc/46/00/99/573460099.db2.gz PFTBUARGVJYOQF-UTLUCORTSA-N 0 0 164.248 2.568 10 0 AFAERN CCc1ccc(C[C@@H](C)O)cc1CC 258033287 573460103 /nfs/dbraw/zinc/46/01/03/573460103.db2.gz JCZIJNPYFZAXAB-SNVBAGLBSA-N 0 0 192.302 2.735 10 0 AFAERN C[C@H](O)C(F)(F)C1CCCCC1 257814583 573460141 /nfs/dbraw/zinc/46/01/41/573460141.db2.gz CNAHCKGNSUFEPO-ZETCQYMHSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@@H]1C=CC[C@@]12CCCCC2=O 238402051 573460168 /nfs/dbraw/zinc/46/01/68/573460168.db2.gz LIYBNLMHXAPJAS-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN Fc1ccccc1Oc1cnoc1 258366499 573460196 /nfs/dbraw/zinc/46/01/96/573460196.db2.gz GODGCMPVQDWCCO-UHFFFAOYSA-N 0 0 179.150 2.606 10 0 AFAERN CC(C)c1csc(CCCCO)n1 259457960 573460213 /nfs/dbraw/zinc/46/02/13/573460213.db2.gz ZWHVCKHLRCTMQZ-UHFFFAOYSA-N 0 0 199.319 2.582 10 0 AFAERN Cc1cc(O)c2c(c1O)[C@H](C)C=CC2 238402700 573460240 /nfs/dbraw/zinc/46/02/40/573460240.db2.gz ZSSXHGUZJYAHJQ-SSDOTTSWSA-N 0 0 190.242 2.622 10 0 AFAERN Cc1cc(CC2(O)CC2)cc(C)c1C 258033540 573460245 /nfs/dbraw/zinc/46/02/45/573460245.db2.gz JEVGNNFLAXSBOE-UHFFFAOYSA-N 0 0 190.286 2.679 10 0 AFAERN C[C@@H]1C=CC[C@@]2(C)C(=O)CCC[C@@H]12 238402623 573460266 /nfs/dbraw/zinc/46/02/66/573460266.db2.gz WKQOOHOMWKAQNC-JFGNBEQYSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1[nH]c(=O)[nH]c1C1CCCCCC1 257815085 573460286 /nfs/dbraw/zinc/46/02/86/573460286.db2.gz CTGIOQUSVCXLBZ-UHFFFAOYSA-N 0 0 194.278 2.862 10 0 AFAERN O=Cc1oncc1C1CCCCCC1 257814640 573460364 /nfs/dbraw/zinc/46/03/64/573460364.db2.gz AURKQYCPCXULTP-UHFFFAOYSA-N 0 0 193.246 2.925 10 0 AFAERN Cc1ccnc([C@H](F)C(F)(F)F)c1 142616651 573460449 /nfs/dbraw/zinc/46/04/49/573460449.db2.gz VDZWTXGJHAUFKT-ZETCQYMHSA-N 0 0 193.143 2.963 10 0 AFAERN Cc1cccc2c1OCCCCN2 258375136 573460370 /nfs/dbraw/zinc/46/03/70/573460370.db2.gz SLJIDXRYSQWKPC-UHFFFAOYSA-N 0 0 177.247 2.580 10 0 AFAERN COc1cc2cc(C)ccc2cc1O 238403504 573460409 /nfs/dbraw/zinc/46/04/09/573460409.db2.gz QTAZDGAFOVQBGB-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN C[C@H]1Cc2ccc(O)cc2NC1(C)C 258368146 573460431 /nfs/dbraw/zinc/46/04/31/573460431.db2.gz ZTTYOCWHPOADQX-QMMMGPOBSA-N 0 0 191.274 2.775 10 0 AFAERN C[C@@H](O)c1nc2cccc(Cl)c2o1 238402412 573460441 /nfs/dbraw/zinc/46/04/41/573460441.db2.gz MEIPOSMSQUXBKX-RXMQYKEDSA-N 0 0 197.621 2.535 10 0 AFAERN C[C@@H](O)Cc1ccc(C(C)(C)C)s1 238401947 573460710 /nfs/dbraw/zinc/46/07/10/573460710.db2.gz NIEGDIZDATYYDH-MRVPVSSYSA-N 0 0 198.331 2.969 10 0 AFAERN CC(C)(F)c1ccccc1C=O 107268576 573460722 /nfs/dbraw/zinc/46/07/22/573460722.db2.gz RAONVCWGKHHJIW-UHFFFAOYSA-N 0 0 166.195 2.704 10 0 AFAERN CONCc1cccc(C2CCC2)c1 258033546 573460731 /nfs/dbraw/zinc/46/07/31/573460731.db2.gz JEVLRLKLILDKJQ-UHFFFAOYSA-N 0 0 191.274 2.605 10 0 AFAERN Clc1nccc2c1CSCC2 257815332 573460822 /nfs/dbraw/zinc/46/08/22/573460822.db2.gz CSIBKNWGFPUFMF-UHFFFAOYSA-N 0 0 185.679 2.524 10 0 AFAERN O=Cc1[nH]c2ccccc2c1C(F)F 107268096 573460827 /nfs/dbraw/zinc/46/08/27/573460827.db2.gz QZRBLPKKKMBPJS-UHFFFAOYSA-N 0 0 195.168 2.918 10 0 AFAERN OCc1ccc(-c2ccsc2)s1 142625932 573460870 /nfs/dbraw/zinc/46/08/70/573460870.db2.gz CACMXICJNJCSGL-UHFFFAOYSA-N 0 0 196.296 2.969 10 0 AFAERN OCC[C@H]1CCCc2c(F)cccc21 257814714 573461037 /nfs/dbraw/zinc/46/10/37/573461037.db2.gz COWDRLPKLANXQB-SECBINFHSA-N 0 0 194.249 2.628 10 0 AFAERN Nc1cc(Cl)ccc1C(F)F 107267804 573461049 /nfs/dbraw/zinc/46/10/49/573461049.db2.gz OOQYZPDARHGBMW-UHFFFAOYSA-N 0 0 177.581 2.860 10 0 AFAERN C[C@@H](F)c1ccc2c(c1)CCN2 107272856 573461144 /nfs/dbraw/zinc/46/11/44/573461144.db2.gz TXUXJGDSUDDCNT-SSDOTTSWSA-N 0 0 165.211 2.685 10 0 AFAERN Nc1ccccc1C[C@@H]1CCSC1 257815124 573461164 /nfs/dbraw/zinc/46/11/64/573461164.db2.gz CUPRBNHZVXKOPX-VIFPVBQESA-N 0 0 193.315 2.564 10 0 AFAERN Cc1cc2ccc(O)cc2c(Cl)n1 258382122 573461217 /nfs/dbraw/zinc/46/12/17/573461217.db2.gz XYQNGZFNXXJPEX-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CCc1c[nH]c(=O)c2c(C)cccc12 258380357 573461364 /nfs/dbraw/zinc/46/13/64/573461364.db2.gz XTIXTDUMTKMWJR-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN CC(F)(F)c1cc(O)ccc1F 107269570 573461421 /nfs/dbraw/zinc/46/14/21/573461421.db2.gz CWYVIMBAPDZLKF-UHFFFAOYSA-N 0 0 176.137 2.643 10 0 AFAERN C[C@H](O)c1cc2ccc(F)cc2o1 258035492 573467692 /nfs/dbraw/zinc/46/76/92/573467692.db2.gz ZKNGXIRDAVLJRZ-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN CC[C@H](C)[C@H]1NC(=O)c2ccccc21 224151370 573467709 /nfs/dbraw/zinc/46/77/09/573467709.db2.gz BNTXXLYJAWGEGO-GZMMTYOYSA-N 0 0 189.258 2.517 10 0 AFAERN CC(C)[C@@H](C)c1onc(N)c1Cl 86517477 573467719 /nfs/dbraw/zinc/46/77/19/573467719.db2.gz QDOHKXSZGRNEOT-RXMQYKEDSA-N 0 0 188.658 2.670 10 0 AFAERN Oc1ccc([C@@H]2CCC[C@H]2F)cc1 107278553 573467727 /nfs/dbraw/zinc/46/77/27/573467727.db2.gz LQCQEMUUVIDJAY-WDEREUQCSA-N 0 0 180.222 2.998 10 0 AFAERN c1ccc([C@@]23CC[C@@H](C2)OC3)cc1 258401299 573467780 /nfs/dbraw/zinc/46/77/80/573467780.db2.gz ZBFZFBCEOTXWQV-RYUDHWBXSA-N 0 0 174.243 2.507 10 0 AFAERN CCC(CC)c1onc(N)c1Cl 86517451 573467814 /nfs/dbraw/zinc/46/78/14/573467814.db2.gz ZVRIKXMPBNJDNB-UHFFFAOYSA-N 0 0 188.658 2.814 10 0 AFAERN Cc1cc2nccn2c2c(O)cccc12 258035482 573467091 /nfs/dbraw/zinc/46/70/91/573467091.db2.gz IYRQKUIUNDUNMW-UHFFFAOYSA-N 0 0 198.225 2.502 10 0 AFAERN Nc1ccccc1[C@@H]1CCC[C@H]1F 107278036 573467835 /nfs/dbraw/zinc/46/78/35/573467835.db2.gz YOJZJVMHLQTMGU-WCBMZHEXSA-N 0 0 179.238 2.874 10 0 AFAERN C[C@@H]1CC(=O)CC[C@H]2CCC[C@H]12 238409104 573467210 /nfs/dbraw/zinc/46/72/10/573467210.db2.gz OBFHFMSRKYCKST-FXPVBKGRSA-N 0 0 166.264 2.792 10 0 AFAERN Clc1cccc2c1OCCCCN2 258397601 573467217 /nfs/dbraw/zinc/46/72/17/573467217.db2.gz UTIAXVGNAQBORL-UHFFFAOYSA-N 0 0 197.665 2.925 10 0 AFAERN CC(C)Cc1noc2cc(N)ccc12 257820629 573467235 /nfs/dbraw/zinc/46/72/35/573467235.db2.gz FSPUXWWABVKSOK-UHFFFAOYSA-N 0 0 190.246 2.609 10 0 AFAERN CCN1C[C@@H](C)Nc2ccc(C)cc21 258397021 573467237 /nfs/dbraw/zinc/46/72/37/573467237.db2.gz BTHQUBVDCOKWAS-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN C[C@@H]1CC(=O)C[C@@H]2CC=CC[C@]21C 238409690 573467241 /nfs/dbraw/zinc/46/72/41/573467241.db2.gz GWAJKSRVRAGCPM-SCVCMEIPSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1ccc(F)cc1CNOC(C)C 393523395 573467358 /nfs/dbraw/zinc/46/73/58/573467358.db2.gz RRENLADIUSIJEG-UHFFFAOYSA-N 0 0 197.253 2.564 10 0 AFAERN Nc1cccc([C@H]2CCC[C@H]2F)c1 107277572 573467364 /nfs/dbraw/zinc/46/73/64/573467364.db2.gz RHXOJSIDGKQNFJ-GHMZBOCLSA-N 0 0 179.238 2.874 10 0 AFAERN COc1ccc2ccc(N)c(C)c2c1 258387933 573467494 /nfs/dbraw/zinc/46/74/94/573467494.db2.gz YHSAUAMQCWZHON-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN Nc1cc(-c2cccc(Cl)c2)c[nH]1 258037198 573467504 /nfs/dbraw/zinc/46/75/04/573467504.db2.gz DCLKOZWDCOMDRL-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN CC(C)c1ccc(CON)cc1Cl 258037275 573467524 /nfs/dbraw/zinc/46/75/24/573467524.db2.gz FRLYQXQJPFWKGZ-UHFFFAOYSA-N 0 0 199.681 2.854 10 0 AFAERN Nc1cccc(C(F)(F)C2CC2)c1 107277536 573467527 /nfs/dbraw/zinc/46/75/27/573467527.db2.gz JUEGBKWSMHBFLX-UHFFFAOYSA-N 0 0 183.201 2.771 10 0 AFAERN Nc1ccccc1[C@@H](F)C(F)(F)F 107278011 573467602 /nfs/dbraw/zinc/46/76/02/573467602.db2.gz ZIBFYJFUMMFRIR-SSDOTTSWSA-N 0 0 193.143 2.842 10 0 AFAERN C[C@@H]1CC(=O)C[C@H]2CC=CC[C@@]12C 238410182 573472233 /nfs/dbraw/zinc/47/22/33/573472233.db2.gz GWAJKSRVRAGCPM-FOGDFJRCSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)=CC[C@@H]1CC(=O)C[C@H]1C 238410138 573472312 /nfs/dbraw/zinc/47/23/12/573472312.db2.gz ZJABCNKEACLUKC-NXEZZACHSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@H](C)Cn1cccc1 54490555 573472369 /nfs/dbraw/zinc/47/23/69/573472369.db2.gz WRPDLXFMIRJRFM-VIFPVBQESA-N 0 0 137.226 2.534 10 0 AFAERN CC1=C[C@@H]2CC(=O)C[C@@H](C)[C@@H]2CC1 238410167 573472403 /nfs/dbraw/zinc/47/24/03/573472403.db2.gz QKIJYVJZNTUWJI-FOGDFJRCSA-N 0 0 178.275 2.958 10 0 AFAERN CCCC[C@H](O)/C=C/[C@H]1CCC=CO1 308583106 573472427 /nfs/dbraw/zinc/47/24/27/573472427.db2.gz KVEQAJDUVYSNEV-VDTGWRSZSA-N 0 0 196.290 2.786 10 0 AFAERN CC[N@H+](C)Cc1cnc(C(C)C)s1 308391631 573472440 /nfs/dbraw/zinc/47/24/40/573472440.db2.gz ZXSPIMXXUUPIGT-UHFFFAOYSA-N 0 0 198.335 2.718 10 0 AFAERN Oc1ccccc1[C@@H](F)C1CC1 107279302 573472467 /nfs/dbraw/zinc/47/24/67/573472467.db2.gz IOBMVQKFTMHLTI-JTQLQIEISA-N 0 0 166.195 2.813 10 0 AFAERN Oc1ccccc1C(F)(F)C1CC1 107279305 573472562 /nfs/dbraw/zinc/47/25/62/573472562.db2.gz IGCGMJXBIUVVGU-UHFFFAOYSA-N 0 0 184.185 2.894 10 0 AFAERN C[C@@H]1CC(=O)C[C@H]2CCCC[C@@H]12 238410212 573472574 /nfs/dbraw/zinc/47/25/74/573472574.db2.gz DLEIYDAPFFKVHP-KKZNHRDASA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)c1ccc(C)c2c1CCC2 258037494 573472616 /nfs/dbraw/zinc/47/26/16/573472616.db2.gz PQTMIZLDDFQPGC-UHFFFAOYSA-N 0 0 174.243 2.686 10 0 AFAERN C[C@@H]1CC[C@H]2CCC[C@@]2(C)C1=O 238410223 573472668 /nfs/dbraw/zinc/47/26/68/573472668.db2.gz BDZUYAOZDKFNLA-FXPVBKGRSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](C)CN(C)c1ccc(C=O)o1 50544138 573481395 /nfs/dbraw/zinc/48/13/95/573481395.db2.gz RPIAJPUFVWLLQD-VIFPVBQESA-N 0 0 195.262 2.574 10 0 AFAERN C[C@@H]1CC(=O)[C@@H](C)C(C)(C)C1 238413752 573480564 /nfs/dbraw/zinc/48/05/64/573480564.db2.gz UTOBIFXJOOZWSF-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H]1CCc2sc(NC3CC3)nc21 83389700 573480617 /nfs/dbraw/zinc/48/06/17/573480617.db2.gz KGXXIJWZPOWEBF-ZCFIWIBFSA-N 0 0 194.303 2.767 10 0 AFAERN CC(C)(C)Cc1ccc(F)cc1N 257818930 573480629 /nfs/dbraw/zinc/48/06/29/573480629.db2.gz FDFJVDXKCRFZIC-UHFFFAOYSA-N 0 0 181.254 2.997 10 0 AFAERN CP(C)(=O)[C@H](O)C1CCCCC1 238413716 573480640 /nfs/dbraw/zinc/48/06/40/573480640.db2.gz NCKJPXPRVPGGEN-VIFPVBQESA-N 0 0 190.223 2.508 10 0 AFAERN C[C@@H]1CCC[C@@H]1Nc1cccc(O)c1 83390024 573480663 /nfs/dbraw/zinc/48/06/63/573480663.db2.gz YJKCUKUXLSQRQZ-SKDRFNHKSA-N 0 0 191.274 2.993 10 0 AFAERN Cc1ccccc1NCCC[C@H](C)O 308596436 573480669 /nfs/dbraw/zinc/48/06/69/573480669.db2.gz ZBIXIFMGRPVCGP-NSHDSACASA-N 0 0 193.290 2.568 10 0 AFAERN C[C@@H]1CC[C@@]2(C)C(=O)CC[C@@H]2C1 238413896 573480689 /nfs/dbraw/zinc/48/06/89/573480689.db2.gz QRQOTMNSRFCFNM-FXPVBKGRSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CCC[C@@H]2[C@@H](C1=O)C2(C)C 238413630 573480716 /nfs/dbraw/zinc/48/07/16/573480716.db2.gz GRTJVCXKVLMLPO-HLTSFMKQSA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)C[C@@]1(O)CCC[C@H]1C 83395621 573480733 /nfs/dbraw/zinc/48/07/33/573480733.db2.gz RCIFEPOAAWAPEZ-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN CSc1ccc(CF)cc1O 238413665 573480735 /nfs/dbraw/zinc/48/07/35/573480735.db2.gz AWDOPEYVPSQJFU-UHFFFAOYSA-N 0 0 172.224 2.584 10 0 AFAERN C[C@@H]1CC[C@]2(CC2(C)C)C(=O)C1 238413919 573480768 /nfs/dbraw/zinc/48/07/68/573480768.db2.gz YCOCPBNRGBQONT-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN CNc1nc(CCC2CCCC2)co1 258675215 573480904 /nfs/dbraw/zinc/48/09/04/573480904.db2.gz VPUKDMFXGUVHQH-UHFFFAOYSA-N 0 0 194.278 2.839 10 0 AFAERN C[C@H]1CCC[C@]1(O)Cc1ccccc1 83395330 573480931 /nfs/dbraw/zinc/48/09/31/573480931.db2.gz UAWRLINGFSVNMS-AAEUAGOBSA-N 0 0 190.286 2.780 10 0 AFAERN CCCC[C@H](CCC1CCCC1)NN 130140000 573480984 /nfs/dbraw/zinc/48/09/84/573480984.db2.gz XPTMCCPADSKXOL-GFCCVEGCSA-N 0 0 198.354 2.979 10 0 AFAERN Cc1n[nH]c(C)c1N[C@@H]1CCC[C@H]1C 83390288 573480989 /nfs/dbraw/zinc/48/09/89/573480989.db2.gz QESRRAVQJIOGHR-GMSGAONNSA-N 0 0 193.294 2.627 10 0 AFAERN CCCN(c1ccc(C=O)o1)C(C)C 50544127 573481018 /nfs/dbraw/zinc/48/10/18/573481018.db2.gz ZBHADJSQJVLHPE-UHFFFAOYSA-N 0 0 195.262 2.717 10 0 AFAERN CC(C)C[C@]1(O)CCC[C@H]1C 83395624 573481052 /nfs/dbraw/zinc/48/10/52/573481052.db2.gz RCIFEPOAAWAPEZ-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CCCCCCC(=O)[C@H]1CCC[C@@H]1O 308595148 573481128 /nfs/dbraw/zinc/48/11/28/573481128.db2.gz RKSGWWWVYLFTPQ-PWSUYJOCSA-N 0 0 198.306 2.687 10 0 AFAERN Cc1ccc2c(c1)CC[C@H]2[C@@H](C)CO 257818904 573481138 /nfs/dbraw/zinc/48/11/38/573481138.db2.gz FFPXVIIDGMVYAC-JQWIXIFHSA-N 0 0 190.286 2.653 10 0 AFAERN Cc1nc(-c2ccccc2O)c(C)o1 257818897 573481167 /nfs/dbraw/zinc/48/11/67/573481167.db2.gz FFNHAMJMRMFOKS-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN OCc1nc(C2CCCCCC2)co1 257819013 573481285 /nfs/dbraw/zinc/48/12/85/573481285.db2.gz FHYXGGDUDJWRPB-UHFFFAOYSA-N 0 0 195.262 2.605 10 0 AFAERN CCCN(C)c1ccc(C=O)cc1C 50544820 573481297 /nfs/dbraw/zinc/48/12/97/573481297.db2.gz ZWJMHFUWTKUICS-UHFFFAOYSA-N 0 0 191.274 2.654 10 0 AFAERN Cc1ccc2c(c1)CC[C@@H]2[C@H](C)CO 257818908 573483520 /nfs/dbraw/zinc/48/35/20/573483520.db2.gz FFPXVIIDGMVYAC-ZYHUDNBSSA-N 0 0 190.286 2.653 10 0 AFAERN C[C@@H]1CCc2c(Cl)ccc(O)c2N1 238415599 573483531 /nfs/dbraw/zinc/48/35/31/573483531.db2.gz YFDCWNWSUUPFBT-ZCFIWIBFSA-N 0 0 197.665 2.792 10 0 AFAERN C[C@H]1c2cc(Cl)ccc2CC[C@H]1O 259106939 573483613 /nfs/dbraw/zinc/48/36/13/573483613.db2.gz FESCZKVMXYIGAN-WRWORJQWSA-N 0 0 196.677 2.751 10 0 AFAERN C[C@@H](O)C(=C1CC1)c1ccccc1 238415916 573483616 /nfs/dbraw/zinc/48/36/16/573483616.db2.gz OMTHWACSKDYJGS-SECBINFHSA-N 0 0 174.243 2.615 10 0 AFAERN C[C@@H]1CC(=O)[C@@H]2CC[C@@H]3CCC[C@]312 238414946 573483626 /nfs/dbraw/zinc/48/36/26/573483626.db2.gz BNRUSIFBENLXEB-FYLLDIAZSA-N 0 0 178.275 2.792 10 0 AFAERN CCc1oc(N)nc1C1CCCCC1 257819461 573483644 /nfs/dbraw/zinc/48/36/44/573483644.db2.gz FKZBESJFIHBSAF-UHFFFAOYSA-N 0 0 194.278 2.867 10 0 AFAERN CCCC[C@@H](NN)C1(CC)CCCC1 130140897 573483692 /nfs/dbraw/zinc/48/36/92/573483692.db2.gz IHXWJQCJWYRZMO-LLVKDONJSA-N 0 0 198.354 2.979 10 0 AFAERN CCc1ccc(SCCCO)cc1 259106617 573483715 /nfs/dbraw/zinc/48/37/15/573483715.db2.gz ALKDZZDCPHUIJW-UHFFFAOYSA-N 0 0 196.315 2.724 10 0 AFAERN C[C@@]12C=CCC[C@H]1CCCC2=O 238415313 573483795 /nfs/dbraw/zinc/48/37/95/573483795.db2.gz JTWNOHYBBIKOOX-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN FC(F)CCCn1cccc1 688740142 573483843 /nfs/dbraw/zinc/48/38/43/573483843.db2.gz QRZHZRXRFAOVHL-UHFFFAOYSA-N 0 0 159.179 2.533 10 0 AFAERN CC(C)=C(c1ccccc1)[C@@H](C)O 238414880 573483868 /nfs/dbraw/zinc/48/38/68/573483868.db2.gz LGCREFKFFFMPGY-SNVBAGLBSA-N 0 0 176.259 2.861 10 0 AFAERN C[C@@]1(C2CCCCC2)COC(=O)C1 257818524 573484007 /nfs/dbraw/zinc/48/40/07/573484007.db2.gz FBKJNDMIHACFRA-NSHDSACASA-N 0 0 182.263 2.520 10 0 AFAERN Cc1ccc2c(c1)CC[C@@H]2[C@@H](C)CO 257818902 573484103 /nfs/dbraw/zinc/48/41/03/573484103.db2.gz FFPXVIIDGMVYAC-CMPLNLGQSA-N 0 0 190.286 2.653 10 0 AFAERN Cc1c(O)ccc2c1CC[C@@H](C)C2 238415048 573484134 /nfs/dbraw/zinc/48/41/34/573484134.db2.gz YMSRSRWAEDTCDI-MRVPVSSYSA-N 0 0 176.259 2.825 10 0 AFAERN CC[C@@H](CCO)Cc1ccccc1 78103874 573496150 /nfs/dbraw/zinc/49/61/50/573496150.db2.gz QZOLVIHZCAFWND-NSHDSACASA-N 0 0 178.275 2.638 10 0 AFAERN CCSCc1ccc(F)cc1O 258041429 573495374 /nfs/dbraw/zinc/49/53/74/573495374.db2.gz DROBOMNCRJRPHP-UHFFFAOYSA-N 0 0 186.251 2.784 10 0 AFAERN CNc1nc(CCC(C)C)c(C)o1 258691910 573495457 /nfs/dbraw/zinc/49/54/57/573495457.db2.gz XDPNZYBUDKNDDT-UHFFFAOYSA-N 0 0 182.267 2.613 10 0 AFAERN CO[C@@H](C)C(=O)c1ccccc1Cl 86574580 573495632 /nfs/dbraw/zinc/49/56/32/573495632.db2.gz YGUWORUERUHSTQ-ZETCQYMHSA-N 0 0 198.649 2.558 10 0 AFAERN CO[C@@H](C)C(=O)c1ccc(C)cc1C 86574625 573495686 /nfs/dbraw/zinc/49/56/86/573495686.db2.gz ZOKAVCKIGFQJBE-JTQLQIEISA-N 0 0 192.258 2.521 10 0 AFAERN Cc1oc(N)nc1CCCC(C)C 258691908 573495708 /nfs/dbraw/zinc/49/57/08/573495708.db2.gz XDOOTIILUJHDEA-UHFFFAOYSA-N 0 0 182.267 2.544 10 0 AFAERN C[C@@H](O)C(F)=C1CCCCC1 238421692 573495719 /nfs/dbraw/zinc/49/57/19/573495719.db2.gz XJOMWOMBPIOCGX-SSDOTTSWSA-N 0 0 158.216 2.555 10 0 AFAERN C[C@H]1CC(C)(C)C[C@]1(O)C1CCC1 235609256 573495896 /nfs/dbraw/zinc/49/58/96/573495896.db2.gz RVCYAJZSULKXJT-JOYOIKCWSA-N 0 0 182.307 2.974 10 0 AFAERN CCc1oc(=O)[nH]c1C1CCCC1 257822065 573503628 /nfs/dbraw/zinc/50/36/28/573503628.db2.gz GBMGTPYOEFAGQE-UHFFFAOYSA-N 0 0 181.235 2.600 10 0 AFAERN FC1(F)CC[C@H](c2ccccn2)C1 258716105 573503673 /nfs/dbraw/zinc/50/36/73/573503673.db2.gz IFITZZSMAJPLTO-QMMMGPOBSA-N 0 0 183.201 2.984 10 0 AFAERN Cc1cc(C2CCCC2)nc(C)n1 259108507 573503678 /nfs/dbraw/zinc/50/36/78/573503678.db2.gz OJQKKDIFNYAXKD-UHFFFAOYSA-N 0 0 176.263 2.751 10 0 AFAERN CN(C)[C@H](C1CCCC1)C(F)(F)F 259110326 573502874 /nfs/dbraw/zinc/50/28/74/573502874.db2.gz HWKYLPDWPMGTRR-MRVPVSSYSA-N 0 0 195.228 2.669 10 0 AFAERN CCSCCC[C@@H]1CCC[C@H]1O 130256281 573502943 /nfs/dbraw/zinc/50/29/43/573502943.db2.gz BSUQDGDEMSIJIQ-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN O=C1CCc2ccccc2C12CCC2 259481222 573503105 /nfs/dbraw/zinc/50/31/05/573503105.db2.gz XHKYIBOQFVJWQP-UHFFFAOYSA-N 0 0 186.254 2.624 10 0 AFAERN CCC[C@@H](O)CCCSCC 130262170 573503122 /nfs/dbraw/zinc/50/31/22/573503122.db2.gz IILVGXHVPMFSJR-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN CSCc1cc2ccc(O)cc2[nH]1 258050094 573503180 /nfs/dbraw/zinc/50/31/80/573503180.db2.gz ODOWENQOHFVVPO-UHFFFAOYSA-N 0 0 193.271 2.737 10 0 AFAERN CC[C@H]1CCC[C@@](C)(O)CC1 83436415 573503315 /nfs/dbraw/zinc/50/33/15/573503315.db2.gz WQBRVUROOMGILT-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@H](C[C@H]1CCC[C@@H](C)CC1)NC=O 238418896 573503333 /nfs/dbraw/zinc/50/33/33/573503333.db2.gz MQNHHHGMAZBFHN-WOPDTQHZSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@@H]1C[C@@H](C)P1c1ccccc1N 238419932 573503343 /nfs/dbraw/zinc/50/33/43/573503343.db2.gz BFOIRXUAYMXIKA-RKDXNWHRSA-N 0 0 193.230 2.557 10 0 AFAERN C[C@H](O)C/C=C/C1CCCCC1 238419592 573503400 /nfs/dbraw/zinc/50/34/00/573503400.db2.gz LZVRDIRYEWDPSW-CYNRKNSPSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@H](C)C[C@@H](NC)C(F)(F)F 126324166 573503530 /nfs/dbraw/zinc/50/35/30/573503530.db2.gz YQARVUNCGKMHFO-RNFRBKRXSA-N 0 0 183.217 2.573 10 0 AFAERN CCN(C/C=C/Cl)Cc1ccco1 308397887 573503552 /nfs/dbraw/zinc/50/35/52/573503552.db2.gz FMGZXWZKHWZYKB-GQCTYLIASA-N 0 0 199.681 2.854 10 0 AFAERN CCCCCC(=O)N1CCC1(C)C 308399326 573503580 /nfs/dbraw/zinc/50/35/80/573503580.db2.gz GHSGKRUKNRJRPV-UHFFFAOYSA-N 0 0 183.295 2.578 10 0 AFAERN CC[C@@H]1CCC[C@](C)(O)CC1 83436416 573505542 /nfs/dbraw/zinc/50/55/42/573505542.db2.gz WQBRVUROOMGILT-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN COCc1csc2cccc(N)c12 258050128 573505593 /nfs/dbraw/zinc/50/55/93/573505593.db2.gz BGXKHJLUXXDURA-UHFFFAOYSA-N 0 0 193.271 2.630 10 0 AFAERN CC(C)[C@@H]1CCC[C@@](C)(O)CC1 83438038 573504895 /nfs/dbraw/zinc/50/48/95/573504895.db2.gz JRAUHXZVWXYOJY-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)C[C@H](NC)C(F)(F)F 126323757 573505002 /nfs/dbraw/zinc/50/50/02/573505002.db2.gz YQARVUNCGKMHFO-RQJHMYQMSA-N 0 0 183.217 2.573 10 0 AFAERN CC(C)[C@H]1CCC[C@@](C)(O)CC1 83438039 573505103 /nfs/dbraw/zinc/50/51/03/573505103.db2.gz JRAUHXZVWXYOJY-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1ccc2c(ccn2C)c1 75233153 573505309 /nfs/dbraw/zinc/50/53/09/573505309.db2.gz ZPERQJQPUSFRKV-UHFFFAOYSA-N 0 0 159.232 2.741 10 0 AFAERN CC(=O)[C@@H](C)c1cc2ccccc2[nH]1 238419688 573505317 /nfs/dbraw/zinc/50/53/17/573505317.db2.gz ILSSESCDFATDKN-MRVPVSSYSA-N 0 0 187.242 2.860 10 0 AFAERN CC1(C)CCC[C@](C)(O)CC1 83436533 573505326 /nfs/dbraw/zinc/50/53/26/573505326.db2.gz XJIJLKXSLYHDMG-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@H]1CCC[C@H](C[C@@H](C)NC=O)CC1 238418861 573505364 /nfs/dbraw/zinc/50/53/64/573505364.db2.gz MQNHHHGMAZBFHN-UTUOFQBUSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H]1CCC[C@@](C)(O)CC1 83436414 573505440 /nfs/dbraw/zinc/50/54/40/573505440.db2.gz WQBRVUROOMGILT-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)c1cc(Br)no1 211866343 573505446 /nfs/dbraw/zinc/50/54/46/573505446.db2.gz WUCDNGXUIZOTEA-UHFFFAOYSA-N 0 0 190.040 2.561 10 0 AFAERN CC[NH2+]CSc1cccc(C)c1 259123594 573606659 /nfs/dbraw/zinc/60/66/59/573606659.db2.gz CGSUCAUXKPJSSC-UHFFFAOYSA-N 0 0 181.304 2.654 10 0 AFAERN C[C@@H]1OCC[C@@H]1CNc1ccccc1 86757486 573606785 /nfs/dbraw/zinc/60/67/85/573606785.db2.gz HCEQSZBCTDDPRC-WDEREUQCSA-N 0 0 191.274 2.524 10 0 AFAERN Cc1cc2c(O)cccc2s1 75546248 573606789 /nfs/dbraw/zinc/60/67/89/573606789.db2.gz YSRULXVUUOBAAV-UHFFFAOYSA-N 0 0 164.229 2.915 10 0 AFAERN C/C=C(C)/C=C\c1nc(CC)no1 308395900 573506653 /nfs/dbraw/zinc/50/66/53/573506653.db2.gz DDRUHCXUWVBQPP-AKAREZBESA-N 0 0 178.235 2.611 10 0 AFAERN C[C@H](O)C(F)=C1CCCCC1 238418826 573506657 /nfs/dbraw/zinc/50/66/57/573506657.db2.gz XJOMWOMBPIOCGX-ZETCQYMHSA-N 0 0 158.216 2.555 10 0 AFAERN CCSCC[C@@H]1CCCC[C@H]1O 130268997 573506852 /nfs/dbraw/zinc/50/68/52/573506852.db2.gz UHKKOXBAMHQKJE-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CSCCCC[C@@H](O)C(C)C 130268146 573506944 /nfs/dbraw/zinc/50/69/44/573506944.db2.gz MKTYGZAUKJKTFD-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CCSCCC[C@H](C)[C@@H](C)O 130273820 573508474 /nfs/dbraw/zinc/50/84/74/573508474.db2.gz BLXBLVHYHUVFPP-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN CC/C=C(/C)C(=O)N(CC)CCC 308396115 573508484 /nfs/dbraw/zinc/50/84/84/573508484.db2.gz DERVTQCTSYEZSZ-NTMALXAHSA-N 0 0 183.295 2.601 10 0 AFAERN Cc1ccc([C@H](O)c2ccsc2)o1 83447770 573508502 /nfs/dbraw/zinc/50/85/02/573508502.db2.gz DAMZLUURGXVGAA-SNVBAGLBSA-N 0 0 194.255 2.731 10 0 AFAERN Cc1cc(C(=O)c2ccco2)cs1 83450140 573508530 /nfs/dbraw/zinc/50/85/30/573508530.db2.gz ATJPXDRVBBRWII-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN CCc1oc(N)nc1-c1cccs1 258708392 573508531 /nfs/dbraw/zinc/50/85/31/573508531.db2.gz YLDLXNGVHBQNJS-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN COCn1ccc2cc(C)ccc21 75233506 573507984 /nfs/dbraw/zinc/50/79/84/573507984.db2.gz QASCISVMVVORCB-UHFFFAOYSA-N 0 0 175.231 2.554 10 0 AFAERN FC1(F)CC[C@@H](c2ccccn2)C1 258716103 573507986 /nfs/dbraw/zinc/50/79/86/573507986.db2.gz IFITZZSMAJPLTO-MRVPVSSYSA-N 0 0 183.201 2.984 10 0 AFAERN C[C@H](O)C/C=C1/CC12CCCC2 238419881 573508001 /nfs/dbraw/zinc/50/80/01/573508001.db2.gz PAXPBSSHJDODKI-QFQXNISHSA-N 0 0 166.264 2.648 10 0 AFAERN CSCCC[C@H]1CCCC[C@H]1O 130271802 573508296 /nfs/dbraw/zinc/50/82/96/573508296.db2.gz ZLBSMIAVWPXDDR-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@H](C)[C@H](O)c1ccsc1 83448169 573508325 /nfs/dbraw/zinc/50/83/25/573508325.db2.gz IEXWPEMEKRNUNT-CBAPKCEASA-N 0 0 170.277 2.828 10 0 AFAERN CSCOc1ccc(C(C)=O)cc1 135718047 573508329 /nfs/dbraw/zinc/50/83/29/573508329.db2.gz CUWPWPNSVGEEHS-UHFFFAOYSA-N 0 0 196.271 2.589 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ccsc1 83448175 573508396 /nfs/dbraw/zinc/50/83/96/573508396.db2.gz IEXWPEMEKRNUNT-IONNQARKSA-N 0 0 170.277 2.828 10 0 AFAERN Cc1cc([C@H](C)C[C@@H](C)O)cs1 83454129 573514745 /nfs/dbraw/zinc/51/47/45/573514745.db2.gz GJMKJFKUSLHLAA-HTQZYQBOSA-N 0 0 184.304 2.931 10 0 AFAERN CC1=C(C)C[C@H]([C@H](C)O)[C@@H](C)C1 238422877 573514754 /nfs/dbraw/zinc/51/47/54/573514754.db2.gz ZHJUKYDBGTZFOC-DCAQKATOSA-N 0 0 168.280 2.750 10 0 AFAERN C/C(=C/C[C@@H](C)O)[Si](C)(C)C 238422365 573514822 /nfs/dbraw/zinc/51/48/22/573514822.db2.gz MZOOZJBVKJVEDX-XZZQCUQZSA-N 0 0 172.344 2.581 10 0 AFAERN CCCC[C@@H](CC(C)=O)OCC 238256338 573514835 /nfs/dbraw/zinc/51/48/35/573514835.db2.gz GTUYWBFFNBZTND-JTQLQIEISA-N 0 0 172.268 2.561 10 0 AFAERN C[C@@H]1CCC[C@H]2[C@@H](C1=O)C2(C)C 238422903 573514837 /nfs/dbraw/zinc/51/48/37/573514837.db2.gz GRTJVCXKVLMLPO-VGMNWLOBSA-N 0 0 166.264 2.648 10 0 AFAERN CCC(C)(C)O[C@@H]1CCCC(=O)C1 86603598 573514842 /nfs/dbraw/zinc/51/48/42/573514842.db2.gz WRONRXKWFTWMHW-SNVBAGLBSA-N 0 0 184.279 2.703 10 0 AFAERN CCCc1nc(C(F)(F)F)[nH]c1C 258500427 573514858 /nfs/dbraw/zinc/51/48/58/573514858.db2.gz DVUKMVGIWAHTED-UHFFFAOYSA-N 0 0 192.184 2.689 10 0 AFAERN C[C@@H]1CCC[C@H]2CC(=O)CC[C@H]21 238422335 573514090 /nfs/dbraw/zinc/51/40/90/573514090.db2.gz HVKUGIOOHNTDPS-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)=C1CC[C@H]([C@H](C)O)C1 238423167 573514181 /nfs/dbraw/zinc/51/41/81/573514181.db2.gz HGQYLGRRVQZROQ-WPRPVWTQSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@@H](CCO)c1ccc(O)cc1 258050601 573514195 /nfs/dbraw/zinc/51/41/95/573514195.db2.gz JZZHCISDKCNDQR-GFCCVEGCSA-N 0 0 194.274 2.514 10 0 AFAERN Cc1cc([C@@H]2CCC(=O)C2)cs1 83453383 573514260 /nfs/dbraw/zinc/51/42/60/573514260.db2.gz BOOVBHSGLPCAQV-MRVPVSSYSA-N 0 0 180.272 2.893 10 0 AFAERN CC(C)CC[C@H](C)CCCO 33605488 573514300 /nfs/dbraw/zinc/51/43/00/573514300.db2.gz UWAGZVFFZJGLJU-SNVBAGLBSA-N 0 0 158.285 2.831 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1c1ccsc1 83453464 573514363 /nfs/dbraw/zinc/51/43/63/573514363.db2.gz DCGAODRXAXSVMM-IONNQARKSA-N 0 0 180.272 2.831 10 0 AFAERN C[C@@H]1CCC[C@H]2C(=O)CC[C@]12C 238422181 573514389 /nfs/dbraw/zinc/51/43/89/573514389.db2.gz JCPOKPLPALTMLG-WCABBAIRSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)C[C@H](C)c1ccsc1 83453427 573514417 /nfs/dbraw/zinc/51/44/17/573514417.db2.gz BRNLCQSSITZYIT-ZETCQYMHSA-N 0 0 168.261 2.831 10 0 AFAERN C/C(=C\C[Si](C)(C)C)[C@@H](C)O 238422014 573514484 /nfs/dbraw/zinc/51/44/84/573514484.db2.gz LOXQTLLPNPYANK-BNICOGTQSA-N 0 0 172.344 2.652 10 0 AFAERN CC1(c2ccccc2Cl)COC1 258718719 573514517 /nfs/dbraw/zinc/51/45/17/573514517.db2.gz OJUSAJUTNQMBOK-UHFFFAOYSA-N 0 0 182.650 2.628 10 0 AFAERN CCc1nc(Cl)c2n1CC[C@H](C)C2 258500265 573514616 /nfs/dbraw/zinc/51/46/16/573514616.db2.gz ZTHMNOWRUSMEGD-ZETCQYMHSA-N 0 0 198.697 2.681 10 0 AFAERN C[C@@]12CCC(=O)[C@@H]1CC1=C2CCC1 238422568 573514686 /nfs/dbraw/zinc/51/46/86/573514686.db2.gz BBFLZDVNRBJABB-JQWIXIFHSA-N 0 0 176.259 2.856 10 0 AFAERN C[C@@H]1CCC[C@@]2(C)C(=O)CC[C@@H]12 238425251 573522108 /nfs/dbraw/zinc/52/21/08/573522108.db2.gz TXEWCORQXOCMEG-WCABBAIRSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](C)C(=O)O[C@@H](C)C(C)C 33608156 573522155 /nfs/dbraw/zinc/52/21/55/573522155.db2.gz AVTPHFBHRSGVRP-IUCAKERBSA-N 0 0 172.268 2.620 10 0 AFAERN C[C@@H]1Nc2ccccc2C(=O)C1(C)C 238424728 573521524 /nfs/dbraw/zinc/52/15/24/573521524.db2.gz GBRVZCDNLRPHHW-QMMMGPOBSA-N 0 0 189.258 2.710 10 0 AFAERN CC1(C2CCCCC2)COC1 258732989 573521680 /nfs/dbraw/zinc/52/16/80/573521680.db2.gz PPUFGNJMZDMBFU-UHFFFAOYSA-N 0 0 154.253 2.603 10 0 AFAERN C/C=C/C[C@@H]1C[C@H](O)[C@H](CCCC)O1 388694224 573521752 /nfs/dbraw/zinc/52/17/52/573521752.db2.gz LSCLKEAMLDQGNH-JDAWBSRYSA-N 0 0 198.306 2.661 10 0 AFAERN CCCCc1c(N)c(C)nn1CCC 308612704 573521887 /nfs/dbraw/zinc/52/18/87/573521887.db2.gz YZDQVSYJSCXPNC-UHFFFAOYSA-N 0 0 195.310 2.526 10 0 AFAERN COCc1cc2cc(F)ccc2o1 258057722 573522026 /nfs/dbraw/zinc/52/20/26/573522026.db2.gz OVEMBGVMJCESBM-UHFFFAOYSA-N 0 0 180.178 2.718 10 0 AFAERN CCCC(=O)n1nc(C)c(CC)c1C 78546744 573522294 /nfs/dbraw/zinc/52/22/94/573522294.db2.gz MLFNNWNKRYEEJE-UHFFFAOYSA-N 0 0 194.278 2.503 10 0 AFAERN Cc1ccc(C(C)(C)C[C@H](C)O)o1 238426164 573522302 /nfs/dbraw/zinc/52/23/02/573522302.db2.gz OAANRGAUFXNMGV-QMMMGPOBSA-N 0 0 182.263 2.637 10 0 AFAERN O[C@@H](/C=C\c1ccccc1)c1ccc[nH]1 308612292 573522477 /nfs/dbraw/zinc/52/24/77/573522477.db2.gz DYAAPMCDWCSJPC-YXVBKTCISA-N 0 0 199.253 2.762 10 0 AFAERN Oc1cccc([C@@H]2CCCS2)c1 257823339 573522572 /nfs/dbraw/zinc/52/25/72/573522572.db2.gz GKFOQWCCRXVKKA-JTQLQIEISA-N 0 0 180.272 2.960 10 0 AFAERN C[C@H]1C[C@H]([C@H](C)O)CC(C)(C)C1 238425700 573522675 /nfs/dbraw/zinc/52/26/75/573522675.db2.gz PNWJVHYZMCSHNP-GUBZILKMSA-N 0 0 170.296 2.830 10 0 AFAERN CNc1ncc(CCC2CCCC2)o1 258747483 573522775 /nfs/dbraw/zinc/52/27/75/573522775.db2.gz JUTGSAZFQOUBNP-UHFFFAOYSA-N 0 0 194.278 2.839 10 0 AFAERN C[C@@H]1Nc2ccccc2[C@@H](C)O1 238425598 573522864 /nfs/dbraw/zinc/52/28/64/573522864.db2.gz VCSOWJYSVJEJKB-HTQZYQBOSA-N 0 0 163.220 2.536 10 0 AFAERN CSc1cccc(NC(C)=O)c1F 238425292 573522871 /nfs/dbraw/zinc/52/28/71/573522871.db2.gz XFOBWZAVAGYCCR-UHFFFAOYSA-N 0 0 199.250 2.506 10 0 AFAERN Cc1cc(C)c(C2(C)COC2)c(C)c1 258744100 573522978 /nfs/dbraw/zinc/52/29/78/573522978.db2.gz QMLDZBHJCUKLRN-UHFFFAOYSA-N 0 0 190.286 2.900 10 0 AFAERN CCC[C@@H](C)[C@@H](O)Cc1ccco1 130399639 573524303 /nfs/dbraw/zinc/52/43/03/573524303.db2.gz DIQYSMXMSLUIKE-KOLCDFICSA-N 0 0 182.263 2.619 10 0 AFAERN Cc1ccc2scc(CON)c2c1 258057802 573524319 /nfs/dbraw/zinc/52/43/19/573524319.db2.gz GDUJLEDVXLLGEE-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN C[C@@H](O)C=C=CC1CCCCC1 238425779 573523674 /nfs/dbraw/zinc/52/36/74/573523674.db2.gz RBPVOMGHNCQDRE-URYLQHRCSA-N 0 0 166.264 2.659 10 0 AFAERN CC(=O)C1(c2c[nH]c3ccccc23)CC1 258741927 573523748 /nfs/dbraw/zinc/52/37/48/573523748.db2.gz ZQXNFNNSJILRAT-UHFFFAOYSA-N 0 0 199.253 2.789 10 0 AFAERN C[C@@H](CO)[C@H](C)CC(C)(C)C 33608503 573523771 /nfs/dbraw/zinc/52/37/71/573523771.db2.gz BCTJQQUHPWYVBQ-BDAKNGLRSA-N 0 0 158.285 2.687 10 0 AFAERN C[C@@H]1CCC[C@]2(C)CC(=O)C[C@@H]12 238425082 573523807 /nfs/dbraw/zinc/52/38/07/573523807.db2.gz BGSNXDZKKJWPLV-DVVUODLYSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc(C)c(Cl)c(CCCO)c1 258046851 573523943 /nfs/dbraw/zinc/52/39/43/573523943.db2.gz GMKMBVURSMRAGD-UHFFFAOYSA-N 0 0 198.693 2.882 10 0 AFAERN C[C@@H]1O[C@H](C)Nc2ccccc21 238425756 573523982 /nfs/dbraw/zinc/52/39/82/573523982.db2.gz VCSOWJYSVJEJKB-JGVFFNPUSA-N 0 0 163.220 2.536 10 0 AFAERN CCc1cc(Cl)c(F)c(C=O)c1 257823406 573524085 /nfs/dbraw/zinc/52/40/85/573524085.db2.gz GMPZUAHNWSJASF-UHFFFAOYSA-N 0 0 186.613 2.854 10 0 AFAERN O=C1CC[C@@H](OCC2CCCCC2)C1 86619898 573524228 /nfs/dbraw/zinc/52/42/28/573524228.db2.gz LZFWEEJZUVUCGA-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN OC/C(=C\c1cccc(F)c1)C1CC1 259614007 573527304 /nfs/dbraw/zinc/52/73/04/573527304.db2.gz DUTUNEQKIYHGFJ-IZZDOVSWSA-N 0 0 192.233 2.611 10 0 AFAERN O[C@@H]1CC[C@@]23C=C[C@]12CCC=CCC3 308606554 573526494 /nfs/dbraw/zinc/52/64/94/573526494.db2.gz WQDPIHBRXIENOK-FRRDWIJNSA-N 0 0 190.286 2.814 10 0 AFAERN COc1ccc(C=C(C)C)c(O)c1 33610954 573526544 /nfs/dbraw/zinc/52/65/44/573526544.db2.gz KUFHEKHXFPHIIQ-UHFFFAOYSA-N 0 0 178.231 2.824 10 0 AFAERN CCCCC[C@H](NN)c1ccc(C)o1 130398443 573526642 /nfs/dbraw/zinc/52/66/42/573526642.db2.gz KUTKDRGBQSGBHZ-JTQLQIEISA-N 0 0 196.294 2.673 10 0 AFAERN C[C@@H]1Nc2ccccc2[C@@H]1C1CC1 238425651 573526656 /nfs/dbraw/zinc/52/66/56/573526656.db2.gz UMWNEGXBPKBZIV-UFBFGSQYSA-N 0 0 173.259 2.994 10 0 AFAERN C[C@H]1CC(C)(C)[C@H](CO)C[C@H]1C 238425334 573526665 /nfs/dbraw/zinc/52/66/65/573526665.db2.gz SVLUHMXADXEQER-UTLUCORTSA-N 0 0 170.296 2.687 10 0 AFAERN C[C@@H]1Nc2ccccc2CS1 238425069 573526694 /nfs/dbraw/zinc/52/66/94/573526694.db2.gz ZNKZCZIIRDCSLC-SSDOTTSWSA-N 0 0 165.261 2.691 10 0 AFAERN O[C@H](/C=C\c1ccccc1)c1ccc[nH]1 308612289 573526728 /nfs/dbraw/zinc/52/67/28/573526728.db2.gz DYAAPMCDWCSJPC-LJTDUEICSA-N 0 0 199.253 2.762 10 0 AFAERN O[C@@H]1CC[C@]23C=C[C@]12CCC=CCC3 308606556 573526831 /nfs/dbraw/zinc/52/68/31/573526831.db2.gz WQDPIHBRXIENOK-JHJVBQTASA-N 0 0 190.286 2.814 10 0 AFAERN O[C@@H]1CC[C@@]23C=C[C@@]12CCC=CCC3 308606553 573526860 /nfs/dbraw/zinc/52/68/60/573526860.db2.gz WQDPIHBRXIENOK-AGIUHOORSA-N 0 0 190.286 2.814 10 0 AFAERN CC[C@H](C)OC(=O)N1CCC(C)CC1 145401063 573526955 /nfs/dbraw/zinc/52/69/55/573526955.db2.gz RSHLOHBSAYXFOU-JTQLQIEISA-N 0 0 199.294 2.653 10 0 AFAERN Cc1cccc(/C=C2\C[C@@H]2[C@H](C)O)c1 238425789 573527054 /nfs/dbraw/zinc/52/70/54/573527054.db2.gz XXBBQGTWEIVQFW-XZVNCSCYSA-N 0 0 188.270 2.779 10 0 AFAERN CCCC[C@H](O)CSCCC 83486999 573527104 /nfs/dbraw/zinc/52/71/04/573527104.db2.gz PEHSPHIZOABTMF-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN CC1=C[C@H](C)Nc2ccccc2C1 238424987 573527116 /nfs/dbraw/zinc/52/71/16/573527116.db2.gz JJSHEWBPXWQIMI-JTQLQIEISA-N 0 0 173.259 2.989 10 0 AFAERN CCCCC[C@@H](C[C@H](C)CC)NN 130396660 573527144 /nfs/dbraw/zinc/52/71/44/573527144.db2.gz DKHOOBKMTOPKSY-MNOVXSKESA-N 0 0 186.343 2.835 10 0 AFAERN CCSC[C@@H](O)c1ccsc1 83484894 573527200 /nfs/dbraw/zinc/52/72/00/573527200.db2.gz ZBNTWOHNAALHQU-MRVPVSSYSA-N 0 0 188.317 2.535 10 0 AFAERN CCCCC[C@@H](C[C@@H](C)CC)NN 130396202 573527247 /nfs/dbraw/zinc/52/72/47/573527247.db2.gz DKHOOBKMTOPKSY-QWRGUYRKSA-N 0 0 186.343 2.835 10 0 AFAERN C[C@H]1CCC(=O)[C@@]12CCC[C@H]2C 238424971 573527260 /nfs/dbraw/zinc/52/72/60/573527260.db2.gz VFRUMUHRPGZRRJ-WCABBAIRSA-N 0 0 166.264 2.792 10 0 AFAERN CCSC[C@H](O)c1ccsc1 83484893 573527297 /nfs/dbraw/zinc/52/72/97/573527297.db2.gz ZBNTWOHNAALHQU-QMMMGPOBSA-N 0 0 188.317 2.535 10 0 AFAERN O=C1CCC[C@H](CC[C@@H]2CCCO2)C1 83531545 573541867 /nfs/dbraw/zinc/54/18/67/573541867.db2.gz HPDGDRBEUKXQIC-PWSUYJOCSA-N 0 0 196.290 2.705 10 0 AFAERN CO/C(=C/Cl)c1ccc(OC)cc1 238435154 573541877 /nfs/dbraw/zinc/54/18/77/573541877.db2.gz HNIZAWPBDPQLKG-JXMROGBWSA-N 0 0 198.649 2.879 10 0 AFAERN CCSCCC[C@@H](O)CC(C)C 130311469 573541904 /nfs/dbraw/zinc/54/19/04/573541904.db2.gz IANMPMXFGPYNKL-SNVBAGLBSA-N 0 0 190.352 2.927 10 0 AFAERN OC1(CC[C@@H]2CCCO2)CCCCC1 83528293 573541905 /nfs/dbraw/zinc/54/19/05/573541905.db2.gz LVZVISAMFYCJMR-NSHDSACASA-N 0 0 198.306 2.641 10 0 AFAERN C[C@@]12CCCC[C@]1(C)CC(=O)C2 238434470 573541950 /nfs/dbraw/zinc/54/19/50/573541950.db2.gz KJQBPOKTZCYCIR-PHIMTYICSA-N 0 0 166.264 2.936 10 0 AFAERN CO/C=C\[C@H](C)[C@@H](O)c1ccccc1 308618084 573542010 /nfs/dbraw/zinc/54/20/10/573542010.db2.gz BTLAIKMUYKMIGY-PQHJVFTLSA-N 0 0 192.258 2.516 10 0 AFAERN CCSCC[C@H](C(C)C)[C@H](C)O 130303415 573542016 /nfs/dbraw/zinc/54/20/16/573542016.db2.gz NEGNALHLQZVBJD-VHSXEESVSA-N 0 0 190.352 2.783 10 0 AFAERN CCSCCC[C@H](C)[C@H](O)CC 130309808 573542041 /nfs/dbraw/zinc/54/20/41/573542041.db2.gz QAZAWXWTTBCRHE-VHSXEESVSA-N 0 0 190.352 2.927 10 0 AFAERN CCSCCC[C@@H](C)[C@@H](O)CC 130310007 573542055 /nfs/dbraw/zinc/54/20/55/573542055.db2.gz QAZAWXWTTBCRHE-ZJUUUORDSA-N 0 0 190.352 2.927 10 0 AFAERN CC1=CCC[C@@]12C(=O)CC[C@H]2C 238435182 573542102 /nfs/dbraw/zinc/54/21/02/573542102.db2.gz RNDVRCKNJXBOCJ-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN C=C/C=C\C[C@H](O)Cc1ccccc1 308616975 573542161 /nfs/dbraw/zinc/54/21/61/573542161.db2.gz AQXOLUDFJKBGNW-DXTPNHAXSA-N 0 0 188.270 2.722 10 0 AFAERN Cc1[nH]c(=O)oc1C1CCCCC1 257824443 573542233 /nfs/dbraw/zinc/54/22/33/573542233.db2.gz GUPJVYOBQZLIGG-UHFFFAOYSA-N 0 0 181.235 2.736 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 78597437 573542304 /nfs/dbraw/zinc/54/23/04/573542304.db2.gz ZRPZFZCZWMSSFS-LPEHRKFASA-N 0 0 199.294 2.557 10 0 AFAERN CCCOCCC(=O)CC1(C)CCC1 308617033 573542384 /nfs/dbraw/zinc/54/23/84/573542384.db2.gz RDCAXCRJMCPWAK-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN COc1ccccc1[C@H](F)CC(C)=O 257829691 573542596 /nfs/dbraw/zinc/54/25/96/573542596.db2.gz ITIUEPFJJCGJKE-SNVBAGLBSA-N 0 0 196.221 2.685 10 0 AFAERN CC(C)C=C=CCCCCO 215339537 573542648 /nfs/dbraw/zinc/54/26/48/573542648.db2.gz BLHSTJNGKINOII-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN CCCc1ccccc1[C@@H](F)C[NH2+]C 257824969 573544875 /nfs/dbraw/zinc/54/48/75/573544875.db2.gz GLPLIXAUEMOPBN-LBPRGKRZSA-N 0 0 195.281 2.869 10 0 AFAERN C/C=C\[C@@H](C)[C@H](O)Cc1ccccc1 308627345 573544893 /nfs/dbraw/zinc/54/48/93/573544893.db2.gz OJILLQWMEYPDAI-JKEYLAGBSA-N 0 0 190.286 2.802 10 0 AFAERN COc1c(Cl)c(F)cc2[nH]ccc12 107367985 573544915 /nfs/dbraw/zinc/54/49/15/573544915.db2.gz KKSSYLCPVFLLNS-UHFFFAOYSA-N 0 0 199.612 2.969 10 0 AFAERN Cc1cccc2c1N[C@@H](C)CCC2=O 257825260 573544221 /nfs/dbraw/zinc/54/42/21/573544221.db2.gz HCNHJOGFKQKUDN-VIFPVBQESA-N 0 0 189.258 2.772 10 0 AFAERN C[C@H](O)C[C@@H](C)OC1=CC[C@H](C)CC1 308626949 573544242 /nfs/dbraw/zinc/54/42/42/573544242.db2.gz NVYZCBDOLWFLAN-GARJFASQSA-N 0 0 198.306 2.866 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1CC[C@@H]1CCCO1 83531606 573544274 /nfs/dbraw/zinc/54/42/74/573544274.db2.gz FYTVXQUQKGPPOZ-DCAQKATOSA-N 0 0 196.290 2.561 10 0 AFAERN Cc1ccc([C@H](C)[C@H](C)CO)cc1 238435487 573544277 /nfs/dbraw/zinc/54/42/77/573544277.db2.gz GAFSGIWIQQYZPU-GHMZBOCLSA-N 0 0 178.275 2.727 10 0 AFAERN O=C1CCC[C@H](CC[C@H]2CCCO2)C1 83531547 573544375 /nfs/dbraw/zinc/54/43/75/573544375.db2.gz HPDGDRBEUKXQIC-ZYHUDNBSSA-N 0 0 196.290 2.705 10 0 AFAERN CC(=O)[C@H]1CCc2c1[nH]c1ccccc21 39112680 573544393 /nfs/dbraw/zinc/54/43/93/573544393.db2.gz ZWYIZHYMDKEMAC-SECBINFHSA-N 0 0 199.253 2.787 10 0 AFAERN Cc1cccc([C@H]2OCC[C@@H](C)O2)c1 238434758 573544396 /nfs/dbraw/zinc/54/43/96/573544396.db2.gz YSACWSLOSXXYNS-PWSUYJOCSA-N 0 0 192.258 2.819 10 0 AFAERN C[C@H](O)C[C@H](C)OC1=CC[C@H](C)CC1 308626948 573544410 /nfs/dbraw/zinc/54/44/10/573544410.db2.gz NVYZCBDOLWFLAN-DCAQKATOSA-N 0 0 198.306 2.866 10 0 AFAERN Cc1cccc(C)c1S[C@H](C)CO 238435280 573544436 /nfs/dbraw/zinc/54/44/36/573544436.db2.gz ARXITWPZNMUKKS-SNVBAGLBSA-N 0 0 196.315 2.776 10 0 AFAERN CC[C@H](C)C(=O)CC1(COC)CCC1 308611480 573544453 /nfs/dbraw/zinc/54/44/53/573544453.db2.gz NIKWWHOFYWFQDI-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN CC(/C=C\c1ccccc1C)=C\CO 308626327 573544484 /nfs/dbraw/zinc/54/44/84/573544484.db2.gz MITPJKKGOYORGV-NSXXKTIASA-N 0 0 188.270 2.947 10 0 AFAERN CC(/C=C/c1ccccc1C)=C\CO 308626324 573544491 /nfs/dbraw/zinc/54/44/91/573544491.db2.gz MITPJKKGOYORGV-MFDVASPDSA-N 0 0 188.270 2.947 10 0 AFAERN OC[C@H]1CC[C@H]1c1ccc(Cl)cc1 257825356 573544557 /nfs/dbraw/zinc/54/45/57/573544557.db2.gz HEQFIPLPJJMRDG-KOLCDFICSA-N 0 0 196.677 2.826 10 0 AFAERN COc1ccccc1[C@@H](F)CC(C)=O 257829690 573544678 /nfs/dbraw/zinc/54/46/78/573544678.db2.gz ITIUEPFJJCGJKE-JTQLQIEISA-N 0 0 196.221 2.685 10 0 AFAERN OC[C@@H]1CC[C@@H]1c1ccc(Cl)cc1 257825354 573544706 /nfs/dbraw/zinc/54/47/06/573544706.db2.gz HEQFIPLPJJMRDG-GXSJLCMTSA-N 0 0 196.677 2.826 10 0 AFAERN CCC(CC)[C@H](O)Cc1ccco1 130338534 573544763 /nfs/dbraw/zinc/54/47/63/573544763.db2.gz VDXIQASWVPOYMZ-LLVKDONJSA-N 0 0 182.263 2.619 10 0 AFAERN CCC(CC)[C@H](O)Cc1ccoc1 130338111 573544783 /nfs/dbraw/zinc/54/47/83/573544783.db2.gz CJEGOQRNTITOPP-LLVKDONJSA-N 0 0 182.263 2.619 10 0 AFAERN Nc1oncc1C1CCCCCC1 257824917 573544795 /nfs/dbraw/zinc/54/47/95/573544795.db2.gz GHTPOZBQIAUAMY-UHFFFAOYSA-N 0 0 180.251 2.695 10 0 AFAERN C[C@@H]1CC[C@@H](C)C12CCCC2=O 238438902 573556374 /nfs/dbraw/zinc/55/63/74/573556374.db2.gz ZCCUYXSKTOLUCP-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN CCCc1ccc(C2(C)COC2)cc1 259122488 573555705 /nfs/dbraw/zinc/55/57/05/573555705.db2.gz QDEZFLCFYHUPSN-UHFFFAOYSA-N 0 0 190.286 2.927 10 0 AFAERN C[C@@H]1CC[C@@H](C)C(C)(C)[C@@H]1CO 238438649 573555719 /nfs/dbraw/zinc/55/57/19/573555719.db2.gz RNWYJNBPRXVDJE-OPRDCNLKSA-N 0 0 170.296 2.687 10 0 AFAERN CC(=O)c1cc2cc(N)c(C)cc2o1 75396794 573555745 /nfs/dbraw/zinc/55/57/45/573555745.db2.gz LVTZYQZZXHIFKL-UHFFFAOYSA-N 0 0 189.214 2.526 10 0 AFAERN Cc1ccc2sccc2c1N 75397095 573555755 /nfs/dbraw/zinc/55/57/55/573555755.db2.gz RLASLLBTNUWURA-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN OC1(CC[C@H]2CCCCS2)CC1 258061151 573555757 /nfs/dbraw/zinc/55/57/57/573555757.db2.gz PTBKQTKVDRWULR-SECBINFHSA-N 0 0 186.320 2.577 10 0 AFAERN CC1=CC[C@@H](C(=O)C(C)C)CC1 223159424 573555887 /nfs/dbraw/zinc/55/58/87/573555887.db2.gz ZBQZEEYUERCDOK-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN O=Cc1ccc2noc(C3CC3)c2c1 257830148 573555975 /nfs/dbraw/zinc/55/59/75/573555975.db2.gz JCDBMCFSDFGTKW-UHFFFAOYSA-N 0 0 187.198 2.518 10 0 AFAERN Cc1ccc([C@H](C)O)c(C)c1C 238438773 573555987 /nfs/dbraw/zinc/55/59/87/573555987.db2.gz GGQVDHWLZUNKSG-JTQLQIEISA-N 0 0 164.248 2.665 10 0 AFAERN COc1ccc(N)c(C2CCCC2)c1 259504899 573556043 /nfs/dbraw/zinc/55/60/43/573556043.db2.gz QZWBYNZJJTZNTJ-UHFFFAOYSA-N 0 0 191.274 2.935 10 0 AFAERN Cc1cc(C)c2occc2c1N 75396862 573556199 /nfs/dbraw/zinc/55/61/99/573556199.db2.gz XHLIULBXOUVNCL-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN Cc1cc2sc(C)c(C)n2c1N 75395865 573556220 /nfs/dbraw/zinc/55/62/20/573556220.db2.gz OQFKYEPJAMJJLM-UHFFFAOYSA-N 0 0 180.276 2.508 10 0 AFAERN CCc1cc2scc(CC)n2c1N 75395895 573556243 /nfs/dbraw/zinc/55/62/43/573556243.db2.gz PFFUFMANZUZUGY-UHFFFAOYSA-N 0 0 194.303 2.708 10 0 AFAERN CCC(CC)COC(=O)C(C)(C)F 393535302 573556255 /nfs/dbraw/zinc/55/62/55/573556255.db2.gz BYIUAINNEGARPO-UHFFFAOYSA-N 0 0 190.258 2.714 10 0 AFAERN CC/C(=C/c1ccccc1F)CO 211905780 573556324 /nfs/dbraw/zinc/55/63/24/573556324.db2.gz XQJVHCNHTQTGDJ-CLFYSBASSA-N 0 0 180.222 2.611 10 0 AFAERN Oc1cc(Cl)cc(CC2CC2)c1 95724910 573556358 /nfs/dbraw/zinc/55/63/58/573556358.db2.gz BZYVTMCELDKMDG-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN C[C@@H](c1cccc(O)c1)C1CC1 238432386 573567676 /nfs/dbraw/zinc/56/76/76/573567676.db2.gz RTPOFOSOCCKUTF-MRVPVSSYSA-N 0 0 162.232 2.906 10 0 AFAERN Clc1cc(C2CC2)ns1 107400555 573567723 /nfs/dbraw/zinc/56/77/23/573567723.db2.gz DBGONKGQSRGDJH-UHFFFAOYSA-N 0 0 159.641 2.674 10 0 AFAERN C[C@H](O)/C=C/CC1CCCCC1 238432546 573567776 /nfs/dbraw/zinc/56/77/76/573567776.db2.gz ZYFKXZLXIFDBRD-PORFMDCZSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1ccc(-c2ccno2)cc1C 83618027 573567101 /nfs/dbraw/zinc/56/71/01/573567101.db2.gz BCXVHGSRNHPYEV-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN C=C/C=C(N)/C=C\c1ccccc1 145399596 573567194 /nfs/dbraw/zinc/56/71/94/573567194.db2.gz KZRMUTTYRUATSY-MJZZXOEVSA-N 0 0 171.243 2.728 10 0 AFAERN CC(=O)Cc1ccc(F)cc1 220802017 573567209 /nfs/dbraw/zinc/56/72/09/573567209.db2.gz XYXUFVNBNYMHQZ-VOTSOKGWSA-N 0 0 152.168 2.745 10 0 AFAERN CC(C)[C@H]1CCC[C@](C)(O)C1 145218933 573567371 /nfs/dbraw/zinc/56/73/71/573567371.db2.gz OINYTRJGGAPVIJ-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN O=C1[C@@H]2CC=C[C@H]3CCC[C@]13CC2 224330994 573567459 /nfs/dbraw/zinc/56/74/59/573567459.db2.gz IMUPBPLMJFDNMA-JFGNBEQYSA-N 0 0 176.259 2.712 10 0 AFAERN Cc1ccc2c(c1)[C@H](C)C[C@H]2O 238432600 573567513 /nfs/dbraw/zinc/56/75/13/573567513.db2.gz QJFSAMGKCDDMOX-LDYMZIIASA-N 0 0 162.232 2.536 10 0 AFAERN C[C@@H]1Oc2ccccc2NC1(C)C 238432314 573567524 /nfs/dbraw/zinc/56/75/24/573567524.db2.gz KIFUWWFMCSYUIR-QMMMGPOBSA-N 0 0 177.247 2.658 10 0 AFAERN CC(C)c1cc(Cl)sn1 107400855 573567553 /nfs/dbraw/zinc/56/75/53/573567553.db2.gz NDNPFEVNOISBNC-UHFFFAOYSA-N 0 0 161.657 2.920 10 0 AFAERN CO[C@@H](C)CC[C@H](O)CC1=CCCC1 400405357 573567558 /nfs/dbraw/zinc/56/75/58/573567558.db2.gz SQEZSRUFLHSANT-JQWIXIFHSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)[C@H]1CCC[C@@](C)(O)C1 145218536 573567569 /nfs/dbraw/zinc/56/75/69/573567569.db2.gz OINYTRJGGAPVIJ-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H](O)/C=C/C1=CCCCCC1 238432320 573567580 /nfs/dbraw/zinc/56/75/80/573567580.db2.gz MXYYTFMWZOYSKJ-DDXVTDLHSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1cc(-c2cc(N)on2)sc1C 83631567 573574932 /nfs/dbraw/zinc/57/49/32/573574932.db2.gz WDTYIQNPWBMIDW-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN C[C@@H]1CC[C@@H]2[C@@H](CC2(C)C)C1=O 238445781 573574956 /nfs/dbraw/zinc/57/49/56/573574956.db2.gz ZDZMEHBYOMURSO-IWSPIJDZSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1c[nH]cc1-c1c[nH]cc1C 238444718 573574991 /nfs/dbraw/zinc/57/49/91/573574991.db2.gz RCDBWXZJAJXNCY-UHFFFAOYSA-N 0 0 160.220 2.627 10 0 AFAERN C[C@H]1C=CC[C@@]12CCCCC2=O 238444920 573575336 /nfs/dbraw/zinc/57/53/36/573575336.db2.gz LIYBNLMHXAPJAS-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)N[C@H]1CC(C)(C)CCC[C@H]1C 238445086 573575340 /nfs/dbraw/zinc/57/53/40/573575340.db2.gz QJCVGVCCWPQOGY-KOLCDFICSA-N 0 0 197.322 2.727 10 0 AFAERN Oc1cccc(C2=CCSCC2)c1 257832433 573575345 /nfs/dbraw/zinc/57/53/45/573575345.db2.gz JTEHWMYZCLPPOE-UHFFFAOYSA-N 0 0 192.283 2.913 10 0 AFAERN CC(=O)N[C@@H]1CC(C)(C)CCC[C@H]1C 238445144 573575374 /nfs/dbraw/zinc/57/53/74/573575374.db2.gz QJCVGVCCWPQOGY-MWLCHTKSSA-N 0 0 197.322 2.727 10 0 AFAERN COC(=O)[C@H]1C(C)(C)C12CCCCC2 259515176 573575381 /nfs/dbraw/zinc/57/53/81/573575381.db2.gz CLJYBDZHVOFPQP-VIFPVBQESA-N 0 0 196.290 2.766 10 0 AFAERN CCCC(C)(C)Nc1nccc(C)n1 124667203 573575384 /nfs/dbraw/zinc/57/53/84/573575384.db2.gz CMMDJZDNMIYMFZ-UHFFFAOYSA-N 0 0 193.294 2.776 10 0 AFAERN C[C@@H]1CC[C@@H]2CCC[C@@]2(C)C1=O 238445041 573575450 /nfs/dbraw/zinc/57/54/50/573575450.db2.gz BDZUYAOZDKFNLA-WCABBAIRSA-N 0 0 166.264 2.792 10 0 AFAERN CC(/C=C\c1ccc(C)cc1)=C\CO 308636629 573575490 /nfs/dbraw/zinc/57/54/90/573575490.db2.gz ZEVYZHCHCPIRSF-JWAJRPJHSA-N 0 0 188.270 2.947 10 0 AFAERN C[C@@H]1c2c(F)cc(F)cc2[C@@H](O)[C@@H]1C 86721728 573589277 /nfs/dbraw/zinc/58/92/77/573589277.db2.gz UCZCEEANQJTWQT-CPZGKSPBSA-N 0 0 198.212 2.751 10 0 AFAERN C[C@@H]1CCC=C[C@]12CCC(=O)C2 238443151 573589326 /nfs/dbraw/zinc/58/93/26/573589326.db2.gz QCAAFTRJZIPBSC-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1Cc2ccccc2[C@@H](O)[C@@H]1C 86721743 573589350 /nfs/dbraw/zinc/58/93/50/573589350.db2.gz MWGSDDNOMMGDSY-LNLATYFQSA-N 0 0 176.259 2.548 10 0 AFAERN CCOC(=O)NCC(C)(CC)CC 238273804 573589382 /nfs/dbraw/zinc/58/93/82/573589382.db2.gz HOHRKPZRVRZVDQ-UHFFFAOYSA-N 0 0 187.283 2.559 10 0 AFAERN CC1=CC=C[C@H](C)[C@]12CCCC2=O 238443191 573589383 /nfs/dbraw/zinc/58/93/83/573589383.db2.gz NRSTZVCLZLFPRO-JOYOIKCWSA-N 0 0 176.259 2.878 10 0 AFAERN C[C@H]1[C@@H]2CCCc3cccc(c32)[C@@H]1O 86721450 573589404 /nfs/dbraw/zinc/58/94/04/573589404.db2.gz GPHIZOIAOYLUJM-GMOODISLSA-N 0 0 188.270 2.790 10 0 AFAERN C[C@@H]1C(=O)c2c(F)ccc(F)c2[C@@H]1C 86718184 573588730 /nfs/dbraw/zinc/58/87/30/573588730.db2.gz AYYNTYLTUTVNJN-RITPCOANSA-N 0 0 196.196 2.901 10 0 AFAERN COc1cccc2c1[C@@H](C)[C@H](C)C2=O 86718282 573588768 /nfs/dbraw/zinc/58/87/68/573588768.db2.gz ZWECMONIXZSVMB-YUMQZZPRSA-N 0 0 190.242 2.631 10 0 AFAERN C[C@@H]1c2ccc(F)cc2[C@@H](O)[C@@H]1C 86721688 573588816 /nfs/dbraw/zinc/58/88/16/573588816.db2.gz SVMOXXVHYMVWDV-CVJICSNFSA-N 0 0 180.222 2.612 10 0 AFAERN C[Si](C)(C)[C@@H]1CCC(=O)C1 238445748 573588833 /nfs/dbraw/zinc/58/88/33/573588833.db2.gz KDXYKIIISLLPBK-MRVPVSSYSA-N 0 0 156.301 2.931 10 0 AFAERN Cc1ccc2c(c1C)C[C@H](C)[C@H]2O 86721472 573588855 /nfs/dbraw/zinc/58/88/55/573588855.db2.gz JCPUAFFRZGDQGQ-QPUJVOFHSA-N 0 0 176.259 2.529 10 0 AFAERN C[C@@H]1CCC=C[C@]2(C)C(=O)CC[C@@H]12 238443033 573588892 /nfs/dbraw/zinc/58/88/92/573588892.db2.gz YMNHCUPKLJJYOG-SCVCMEIPSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1cc(C)c2c(c1)C[C@H](C)[C@H]2O 86721994 573588909 /nfs/dbraw/zinc/58/89/09/573588909.db2.gz QGWOFBVZWODEES-JOYOIKCWSA-N 0 0 176.259 2.529 10 0 AFAERN C[C@H]1C(=O)c2cccc3c2[C@H]1CC3 86718293 573588924 /nfs/dbraw/zinc/58/89/24/573588924.db2.gz PRSUUZOMGHNPHD-APPZFPTMSA-N 0 0 172.227 2.549 10 0 AFAERN CCc1cccc2c1C[C@H](C)C2=O 86718253 573588931 /nfs/dbraw/zinc/58/89/31/573588931.db2.gz UUPQZGSTJWIPRJ-QMMMGPOBSA-N 0 0 174.243 2.624 10 0 AFAERN C[C@H]1C(=O)c2cc(F)cc(F)c2[C@@H]1C 86718330 573588939 /nfs/dbraw/zinc/58/89/39/573588939.db2.gz ZVQOOQIKBJLBAH-PHDIDXHHSA-N 0 0 196.196 2.901 10 0 AFAERN C[C@@H]1CCc2ccccc2[C@H](O)[C@@H]1C 86721997 573588958 /nfs/dbraw/zinc/58/89/58/573588958.db2.gz ORAIWLVAYZKVIQ-GIPNMCIBSA-N 0 0 190.286 2.938 10 0 AFAERN C[C@@H]1c2c(F)ccc(F)c2[C@@H](O)[C@@H]1C 86721562 573589020 /nfs/dbraw/zinc/58/90/20/573589020.db2.gz WXGLICKLUXLNMG-CPZGKSPBSA-N 0 0 198.212 2.751 10 0 AFAERN CCn1ccc2nccc(Cl)c21 257833635 573589022 /nfs/dbraw/zinc/58/90/22/573589022.db2.gz KKJBRRDBEKABND-UHFFFAOYSA-N 0 0 180.638 2.710 10 0 AFAERN Cc1c([C@H](C)O)n(C)c2ccccc12 238445752 573589023 /nfs/dbraw/zinc/58/90/23/573589023.db2.gz HNGXZSMAMUSWPA-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](O)[C@@H](C)C2 86721676 573589089 /nfs/dbraw/zinc/58/90/89/573589089.db2.gz GBSLOZAQFBFPAJ-CABZTGNLSA-N 0 0 176.259 2.529 10 0 AFAERN COc1cccc2c1[C@H](C)[C@H](C)C2=O 86718284 573589138 /nfs/dbraw/zinc/58/91/38/573589138.db2.gz ZWECMONIXZSVMB-SFYZADRCSA-N 0 0 190.242 2.631 10 0 AFAERN Cc1ccc(C)c2c1C[C@H](C)[C@@H]2O 86721777 573589179 /nfs/dbraw/zinc/58/91/79/573589179.db2.gz DNPADAPQONTTDY-CABZTGNLSA-N 0 0 176.259 2.529 10 0 AFAERN C[C@@H]1C[C@H](O)C[C@@H]2CCCC[C@]21C 238455006 573593482 /nfs/dbraw/zinc/59/34/82/573593482.db2.gz WBLFVBDOCSVBMP-RHYQMDGZSA-N 0 0 182.307 2.974 10 0 AFAERN CCC[C@H](O)c1ccc(Cl)cn1 83692785 573592861 /nfs/dbraw/zinc/59/28/61/573592861.db2.gz BLCDGRBBZXJPRU-VIFPVBQESA-N 0 0 185.654 2.569 10 0 AFAERN C[C@@H]1Cc2c(O)ccc(O)c2[C@H](C)C1 238455252 573592881 /nfs/dbraw/zinc/59/28/81/573592881.db2.gz FPHHWJLGMVFZOF-JGVFFNPUSA-N 0 0 192.258 2.784 10 0 AFAERN CS[C@@H](C)Cc1cccc(O)c1 259521208 573592965 /nfs/dbraw/zinc/59/29/65/573592965.db2.gz AIGXXSFLOXZOIN-QMMMGPOBSA-N 0 0 182.288 2.686 10 0 AFAERN Cc1c(F)cc(F)c2c1[C@H](O)CCC2 86723334 573592983 /nfs/dbraw/zinc/59/29/83/573592983.db2.gz CRSCIXJUWOVRMS-SNVBAGLBSA-N 0 0 198.212 2.643 10 0 AFAERN C[C@@H]1C(=O)[C@@H](c2ccccc2)[C@@H]1C 238455424 573593006 /nfs/dbraw/zinc/59/30/06/573593006.db2.gz TWOPGYGAISROLF-WCABBAIRSA-N 0 0 174.243 2.625 10 0 AFAERN CC(=O)c1cccc2c1CC[C@@H]2C 238455571 573593051 /nfs/dbraw/zinc/59/30/51/573593051.db2.gz BALUHOSQZSOFOU-QMMMGPOBSA-N 0 0 174.243 2.939 10 0 AFAERN C[C@@H]1C(=O)[C@H](c2ccccc2)[C@@H]1C 238455337 573593090 /nfs/dbraw/zinc/59/30/90/573593090.db2.gz TWOPGYGAISROLF-YWVKMMECSA-N 0 0 174.243 2.625 10 0 AFAERN CC(=O)c1ccc2c(c1)CC[C@@H]2C 238455621 573593122 /nfs/dbraw/zinc/59/31/22/573593122.db2.gz LJDNXTAMBREUPI-QMMMGPOBSA-N 0 0 174.243 2.939 10 0 AFAERN Cc1nc([C@H](O)CCC(C)C)cs1 126626020 573593155 /nfs/dbraw/zinc/59/31/55/573593155.db2.gz DESCDRQZNDLRON-SNVBAGLBSA-N 0 0 199.319 2.921 10 0 AFAERN Cc1cccc(-c2cc(C=O)n(C)c2)c1 259134682 573593202 /nfs/dbraw/zinc/59/32/02/573593202.db2.gz ICMAJIMKCZEHFV-UHFFFAOYSA-N 0 0 199.253 2.813 10 0 AFAERN CC(=C=C[Si](C)(C)C)[C@H](C)[C@H](C)O 238455313 573593375 /nfs/dbraw/zinc/59/33/75/573593375.db2.gz UUJSCPNYDDSAJE-KYDCKOQZSA-N 0 0 198.382 2.982 10 0 AFAERN CCC(=O)c1cc(C)c(F)cc1F 86723072 573593379 /nfs/dbraw/zinc/59/33/79/573593379.db2.gz YHVMHWMJMMYQFA-UHFFFAOYSA-N 0 0 184.185 2.866 10 0 AFAERN C[C@]1(Cc2ccoc2)CCCC1=O 238457175 573597384 /nfs/dbraw/zinc/59/73/84/573597384.db2.gz NUUAIEFQFWFNFQ-LLVKDONJSA-N 0 0 178.231 2.581 10 0 AFAERN Cc1cc(C(=O)C2CC2)c(F)cc1F 86723084 573597407 /nfs/dbraw/zinc/59/74/07/573597407.db2.gz OGRWPGFFXLPIHI-UHFFFAOYSA-N 0 0 196.196 2.866 10 0 AFAERN Nc1cc(-c2ccccc2F)sn1 107427495 573597453 /nfs/dbraw/zinc/59/74/53/573597453.db2.gz RALAKLFVKPDBIK-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CC(C)(C)c1cscc1C=O 75525110 573597466 /nfs/dbraw/zinc/59/74/66/573597466.db2.gz HOXQSKSCXQIMFN-UHFFFAOYSA-N 0 0 168.261 2.858 10 0 AFAERN CC(=O)[C@@H]1CCC(C)(C)[C@H]1C 238456544 573597473 /nfs/dbraw/zinc/59/74/73/573597473.db2.gz JUPRFNKIJFUYQP-IONNQARKSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(C)[C@H](CO)c1ccc(O)cc1 257836079 573597502 /nfs/dbraw/zinc/59/75/02/573597502.db2.gz AKCNFXFJGLOWOV-LLVKDONJSA-N 0 0 194.274 2.514 10 0 AFAERN Cc1cccc2ccc(O)c(C=O)c12 238457314 573597504 /nfs/dbraw/zinc/59/75/04/573597504.db2.gz VNITUKDOUDERNY-UHFFFAOYSA-N 0 0 186.210 2.666 10 0 AFAERN Nc1cc(-c2cccc(F)c2)sn1 107427487 573596933 /nfs/dbraw/zinc/59/69/33/573596933.db2.gz IHFMYTOWSSYRTG-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1cc([C@@H](O)C2CC2)c(F)cc1F 86727808 573596960 /nfs/dbraw/zinc/59/69/60/573596960.db2.gz BHOWFXVFBQZMEN-NSHDSACASA-N 0 0 198.212 2.717 10 0 AFAERN Cc1cc([C@H](O)C2CC2)c(F)cc1F 86727805 573597152 /nfs/dbraw/zinc/59/71/52/573597152.db2.gz BHOWFXVFBQZMEN-LLVKDONJSA-N 0 0 198.212 2.717 10 0 AFAERN C[C@H](C1CC1)[C@H](O)CC1=CCCC1 400406711 573597196 /nfs/dbraw/zinc/59/71/96/573597196.db2.gz UHAIWOLGVYSISU-BXKDBHETSA-N 0 0 180.291 2.894 10 0 AFAERN CC(C)Cc1cscc1C=O 75525123 573597274 /nfs/dbraw/zinc/59/72/74/573597274.db2.gz TZPUMVGZMJKMCE-UHFFFAOYSA-N 0 0 168.261 2.759 10 0 AFAERN Nc1cc(-c2ccc(F)cc2)sn1 107427492 573597293 /nfs/dbraw/zinc/59/72/93/573597293.db2.gz NYDZUFWBGGVPFV-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN O[C@H]1CC[C@H](CCC(F)(F)Cl)C1 402001775 573597295 /nfs/dbraw/zinc/59/72/95/573597295.db2.gz GFWUZMWUWOIQJU-RQJHMYQMSA-N 0 0 198.640 2.759 10 0 AFAERN CCC(CC)Cn1cc[nH]c1=S 130483342 573597297 /nfs/dbraw/zinc/59/72/97/573597297.db2.gz CADDSDHGGHMPPE-UHFFFAOYSA-N 0 0 184.308 2.608 10 0 AFAERN C[Si](C)(C)[C@@H]1CCCC=C1CO 238445875 573597328 /nfs/dbraw/zinc/59/73/28/573597328.db2.gz GBYWBMSNIUHZPN-SNVBAGLBSA-N 0 0 184.355 2.797 10 0 AFAERN C1CCC(SCC2COC2)CC1 259138313 573599804 /nfs/dbraw/zinc/59/98/04/573599804.db2.gz DOGXRKPIQCSATO-UHFFFAOYSA-N 0 0 186.320 2.699 10 0 AFAERN O[C@@H]1CCc2c(ccc3ccccc23)C1 214525106 573599152 /nfs/dbraw/zinc/59/91/52/573599152.db2.gz ZAXBSVTZIVCVLZ-GFCCVEGCSA-N 0 0 198.265 2.689 10 0 AFAERN C[C@H]1CSc2cc(F)ccc2C1=O 107432479 573599318 /nfs/dbraw/zinc/59/93/18/573599318.db2.gz KPHZCAUOPAAZFM-LURJTMIESA-N 0 0 196.246 2.750 10 0 AFAERN C[C@]1(Cc2ccccc2)CCC[C@H]1O 238456782 573599356 /nfs/dbraw/zinc/59/93/56/573599356.db2.gz DZMOMYKICZBTBE-CHWSQXEVSA-N 0 0 190.286 2.780 10 0 AFAERN Cc1ccc(C)c2c1C=C[C@H](O)CC2 238456743 573599445 /nfs/dbraw/zinc/59/94/45/573599445.db2.gz XIBJYTGILQVAHL-NSHDSACASA-N 0 0 188.270 2.624 10 0 AFAERN CCCC1N=C(C)C(=S)S1 259137721 573599451 /nfs/dbraw/zinc/59/94/51/573599451.db2.gz CTMIISFXAKZCNM-UHFFFAOYSA-N 0 0 173.306 2.693 10 0 AFAERN C[C@H]1CC(=O)[C@H](C)C(C)(C)C1 238457427 573599617 /nfs/dbraw/zinc/59/96/17/573599617.db2.gz UTOBIFXJOOZWSF-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1ccc(F)nc1 686128614 573599697 /nfs/dbraw/zinc/59/96/97/573599697.db2.gz KEYMWWLXIQQXLE-KCJUWKMLSA-N 0 0 197.253 2.690 10 0 AFAERN Cc1ccc(C)c2c1CCC(O)CC2 238456785 573599722 /nfs/dbraw/zinc/59/97/22/573599722.db2.gz VBAIECCKGJVMLH-UHFFFAOYSA-N 0 0 190.286 2.543 10 0 AFAERN O[C@H]1CC[C@@H](CCC(F)(F)Cl)C1 402001764 573599728 /nfs/dbraw/zinc/59/97/28/573599728.db2.gz GFWUZMWUWOIQJU-BQBZGAKWSA-N 0 0 198.640 2.759 10 0 AFAERN CCOC(=O)[C@@H]1C(CC)(CC)C12CC2 259523012 573599736 /nfs/dbraw/zinc/59/97/36/573599736.db2.gz DLSQLQCFPOBRJK-SECBINFHSA-N 0 0 196.290 2.766 10 0 AFAERN Cc1cc(C)c2[nH]c(C)c(CO)c2c1 83729156 573612939 /nfs/dbraw/zinc/61/29/39/573612939.db2.gz RZXGFXWBJSSXNN-UHFFFAOYSA-N 0 0 189.258 2.585 10 0 AFAERN Clc1nc(C2CCCC2)co1 259528078 573612997 /nfs/dbraw/zinc/61/29/97/573612997.db2.gz AXIWDYGFIHQIDM-UHFFFAOYSA-N 0 0 171.627 2.986 10 0 AFAERN CCOc1cccc([C@@H](C)C(C)=O)c1 258504163 573613008 /nfs/dbraw/zinc/61/30/08/573613008.db2.gz CIHBNBQRAKGQAH-VIFPVBQESA-N 0 0 192.258 2.778 10 0 AFAERN Cc1[nH]c2ccc(Cl)cc2c1CO 83729140 573613011 /nfs/dbraw/zinc/61/30/11/573613011.db2.gz ZSGVEVZWJKEFSE-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN Cc1ccc([C@H](C)F)cc1C[C@H](C)O 258067370 573613058 /nfs/dbraw/zinc/61/30/58/573613058.db2.gz LWYZLNCAQZNBIF-UWVGGRQHSA-N 0 0 196.265 2.949 10 0 AFAERN O[C@@H]1C[C@H]2c3cccc4cccc(c34)[C@@H]12 238686018 573613139 /nfs/dbraw/zinc/61/31/39/573613139.db2.gz PDSHEYVCJYOTKD-OUCADQQQSA-N 0 0 196.249 2.785 10 0 AFAERN CC[C@H]1CNc2cccc(F)c21 107456867 573613704 /nfs/dbraw/zinc/61/37/04/573613704.db2.gz VJXNDNFPQJOYGD-ZETCQYMHSA-N 0 0 165.211 2.745 10 0 AFAERN c1ccc(-c2cc3ccncc3[nH]2)nc1 238686659 573613221 /nfs/dbraw/zinc/61/32/21/573613221.db2.gz UAMKEXIVZDNLNN-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC(C)(C)[C@](C)(O)C1CCCC1 96373571 573613711 /nfs/dbraw/zinc/61/37/11/573613711.db2.gz CVOBGZDCSYAILD-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)Cc1cccc([C@@H](C)F)c1 258070297 573613714 /nfs/dbraw/zinc/61/37/14/573613714.db2.gz MGHXXIBUMLSSJN-DTWKUNHWSA-N 0 0 182.238 2.640 10 0 AFAERN C[C@H]1[C@@H](O)CCC12CCCCC2 238448978 573613349 /nfs/dbraw/zinc/61/33/49/573613349.db2.gz OKDQNQIRAUBDNZ-UWVGGRQHSA-N 0 0 168.280 2.728 10 0 AFAERN C[Si](C)(C)[C@H](O)C1CCCCC1 238449053 573613446 /nfs/dbraw/zinc/61/34/46/573613446.db2.gz JCQYZOGZHDJXIS-JTQLQIEISA-N 0 0 186.371 2.805 10 0 AFAERN Cc1cc2nccn2c2cc(O)ccc12 257837564 573613467 /nfs/dbraw/zinc/61/34/67/573613467.db2.gz ATSCXPRPQOMFMQ-UHFFFAOYSA-N 0 0 198.225 2.502 10 0 AFAERN C[C@@H]1CCCCC[C@](C)(C(N)=O)CC1 238449669 573613968 /nfs/dbraw/zinc/61/39/68/573613968.db2.gz YEJCQOFBGPGAIQ-PWSUYJOCSA-N 0 0 197.322 2.858 10 0 AFAERN C[C@H](F)c1cccc(C[C@@H](C)O)c1 258070293 573614570 /nfs/dbraw/zinc/61/45/70/573614570.db2.gz MGHXXIBUMLSSJN-BDAKNGLRSA-N 0 0 182.238 2.640 10 0 AFAERN CCSCc1ccc(O)cc1 75557034 573614622 /nfs/dbraw/zinc/61/46/22/573614622.db2.gz ZXBVUALKQWYHAG-UHFFFAOYSA-N 0 0 168.261 2.645 10 0 AFAERN C/C=C\CNc1ccc(F)c(OC)c1 308405987 573614652 /nfs/dbraw/zinc/61/46/52/573614652.db2.gz PBXRDZDOUGIYHG-ARJAWSKDSA-N 0 0 195.237 2.822 10 0 AFAERN CCc1ccc(-c2csc(N)n2)o1 96378726 573614001 /nfs/dbraw/zinc/61/40/01/573614001.db2.gz NMWXBZSTKUTIJJ-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CCCC/C=C(/C)CCCO 215290108 573614014 /nfs/dbraw/zinc/61/40/14/573614014.db2.gz ROZKXMFOFQCWAT-YFHOEESVSA-N 0 0 156.269 2.895 10 0 AFAERN CO[C@@H]1CCC[C@@H]1CCC(=O)C(C)C 308642813 573614030 /nfs/dbraw/zinc/61/40/30/573614030.db2.gz FAJDAYINHWMLFA-ZYHUDNBSSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cccc2c1[C@H](C)[C@@H](C)N2 107456352 573614133 /nfs/dbraw/zinc/61/41/33/573614133.db2.gz WPBZYXTYIATCHM-RKDXNWHRSA-N 0 0 161.248 2.913 10 0 AFAERN Cc1cccc2c1[C@H](C)CN2 107455079 573614149 /nfs/dbraw/zinc/61/41/49/573614149.db2.gz OSKJEUHBGMQSNV-MRVPVSSYSA-N 0 0 147.221 2.524 10 0 AFAERN Cc1cc(C)c(F)c([C@@H](C)CO)c1 258070221 573614150 /nfs/dbraw/zinc/61/41/50/573614150.db2.gz MEQFBEPGNRBKHG-VIFPVBQESA-N 0 0 182.238 2.538 10 0 AFAERN C[C@@H]1c2ccccc2C=CC[C@@H]1O 238448856 573614166 /nfs/dbraw/zinc/61/41/66/573614166.db2.gz NMJKDXOWVOCRFR-SKDRFNHKSA-N 0 0 174.243 2.568 10 0 AFAERN Cc1ccc(C(=O)[C@H](C)F)cc1 238449069 573614320 /nfs/dbraw/zinc/61/43/20/573614320.db2.gz KSYCKOAKHHRLMT-QMMMGPOBSA-N 0 0 166.195 2.536 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)[C@H]2C 107456343 573614332 /nfs/dbraw/zinc/61/43/32/573614332.db2.gz PAUYFSDQFBVTBU-BDAKNGLRSA-N 0 0 161.248 2.913 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)[C@@H]2C 107456338 573614352 /nfs/dbraw/zinc/61/43/52/573614352.db2.gz PAUYFSDQFBVTBU-IUCAKERBSA-N 0 0 161.248 2.913 10 0 AFAERN CCOCn1c(C)cc2ccccc21 83756564 573614412 /nfs/dbraw/zinc/61/44/12/573614412.db2.gz LBBLFSHKJQFEAH-UHFFFAOYSA-N 0 0 189.258 2.944 10 0 AFAERN C[C@H]1Nc2cccc(F)c2[C@H]1C 107456858 573614440 /nfs/dbraw/zinc/61/44/40/573614440.db2.gz ZIMOPVJXEZRKNQ-NKWVEPMBSA-N 0 0 165.211 2.743 10 0 AFAERN Cc1cc(C)c(F)c([C@H](C)CO)c1 258070219 573616287 /nfs/dbraw/zinc/61/62/87/573616287.db2.gz MEQFBEPGNRBKHG-SECBINFHSA-N 0 0 182.238 2.538 10 0 AFAERN CCC1(c2csc(N)n2)CCCC1 96378792 573616376 /nfs/dbraw/zinc/61/63/76/573616376.db2.gz NWCGUSQEMYNCFZ-UHFFFAOYSA-N 0 0 196.319 2.947 10 0 AFAERN CC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 96379029 573615797 /nfs/dbraw/zinc/61/57/97/573615797.db2.gz WYRXXXHYERBZPB-JGVFFNPUSA-N 0 0 194.196 2.944 10 0 AFAERN CC[C@@H]1CNc2cccc(C)c21 107456359 573615801 /nfs/dbraw/zinc/61/58/01/573615801.db2.gz LCSLMQFSVVDMQI-SECBINFHSA-N 0 0 161.248 2.914 10 0 AFAERN CC/C=C(\C)C(=O)OC1CC(C)C1 308407320 573615948 /nfs/dbraw/zinc/61/59/48/573615948.db2.gz KDHYNLDVXJUXQG-WEVVVXLNSA-N 0 0 182.263 2.684 10 0 AFAERN O=Cc1cc[nH]c1-c1cccs1 75567555 573615969 /nfs/dbraw/zinc/61/59/69/573615969.db2.gz TXKFPUUIEBKHFI-UHFFFAOYSA-N 0 0 177.228 2.556 10 0 AFAERN C[C@H]1C[C@@H](C)c2ccc(N)cc21 238450563 573615973 /nfs/dbraw/zinc/61/59/73/573615973.db2.gz LFGFOJJJPRKKFD-SFYZADRCSA-N 0 0 161.248 2.880 10 0 AFAERN CC/C(=C/c1cc(F)ccc1F)CO 211958176 573616013 /nfs/dbraw/zinc/61/60/13/573616013.db2.gz YGELRZZKJFGYAC-YVMONPNESA-N 0 0 198.212 2.751 10 0 AFAERN CC1(c2csc(N)n2)CCCC1 96378682 573616041 /nfs/dbraw/zinc/61/60/41/573616041.db2.gz UKIYLGUIFSZRGC-UHFFFAOYSA-N 0 0 182.292 2.557 10 0 AFAERN C[Si](C)(C)[C@@H]1c2ccccc2[C@@H]1O 238450585 573616063 /nfs/dbraw/zinc/61/60/63/573616063.db2.gz JMTPADXLHCCEOB-WDEREUQCSA-N 0 0 192.334 2.695 10 0 AFAERN CC(=O)C[C@@H](F)c1ccccc1C 257837662 573616099 /nfs/dbraw/zinc/61/60/99/573616099.db2.gz LKSGALHJYRSGHW-LLVKDONJSA-N 0 0 180.222 2.985 10 0 AFAERN CC(=O)c1cc2c(C)cccc2o1 82399490 573616117 /nfs/dbraw/zinc/61/61/17/573616117.db2.gz CNMUEXXBCPNCTQ-UHFFFAOYSA-N 0 0 174.199 2.944 10 0 AFAERN O=C1Nc2ccccc2[C@H]1C1CCC1 236408060 573616122 /nfs/dbraw/zinc/61/61/22/573616122.db2.gz HGGJAASVQONVIC-LLVKDONJSA-N 0 0 187.242 2.522 10 0 AFAERN CC[C@H]1CNc2cccc(C)c21 107456363 573616159 /nfs/dbraw/zinc/61/61/59/573616159.db2.gz LCSLMQFSVVDMQI-VIFPVBQESA-N 0 0 161.248 2.914 10 0 AFAERN CC/C=C(/C)C(=O)OC1CC(C)C1 308407317 573616230 /nfs/dbraw/zinc/61/62/30/573616230.db2.gz KDHYNLDVXJUXQG-UITAMQMPSA-N 0 0 182.263 2.684 10 0 AFAERN C[C@H]1c2c(F)cccc2N[C@@H]1C 107456860 573616249 /nfs/dbraw/zinc/61/62/49/573616249.db2.gz ZIMOPVJXEZRKNQ-RNFRBKRXSA-N 0 0 165.211 2.743 10 0 AFAERN Cc1cc(N)c2ccsc2c1 224414314 573616277 /nfs/dbraw/zinc/61/62/77/573616277.db2.gz ZYWCOZIZFWIZIK-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN Cc1cccc2oc(C=O)c(C)c12 75564400 573615675 /nfs/dbraw/zinc/61/56/75/573615675.db2.gz FJYFWUYIYAPJQX-UHFFFAOYSA-N 0 0 174.199 2.862 10 0 AFAERN C[C@H](Cc1csc(N)n1)C(C)(C)C 96378830 573616554 /nfs/dbraw/zinc/61/65/54/573616554.db2.gz CVKGKZYAUDFOJO-SSDOTTSWSA-N 0 0 198.335 2.950 10 0 AFAERN Oc1ccc2oc3c(c2c1)CCC3 75564354 573617356 /nfs/dbraw/zinc/61/73/56/573617356.db2.gz IEKITNDFLATUEG-UHFFFAOYSA-N 0 0 174.199 2.627 10 0 AFAERN C[C@@H]1Nc2cc(F)ccc2[C@@H]1C 107456856 573616665 /nfs/dbraw/zinc/61/66/65/573616665.db2.gz JPHDVZZEALDMMO-RQJHMYQMSA-N 0 0 165.211 2.743 10 0 AFAERN CC[C@H](O)c1ccccc1SC 96378884 573616777 /nfs/dbraw/zinc/61/67/77/573616777.db2.gz TURGIWDQPXZXEY-VIFPVBQESA-N 0 0 182.288 2.852 10 0 AFAERN C[C@H]1c2ccccc2C(=O)[C@@H]2C[C@@H]21 238450320 573616803 /nfs/dbraw/zinc/61/68/03/573616803.db2.gz XBLRBMXDWSSGMU-WHGOUJPWSA-N 0 0 172.227 2.623 10 0 AFAERN Oc1ccc(-c2cncs2)cc1 75567540 573616811 /nfs/dbraw/zinc/61/68/11/573616811.db2.gz SEWNEICVLGOWBW-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN CCCC[C@](C)(O)C(C)(C)C 96373567 573616839 /nfs/dbraw/zinc/61/68/39/573616839.db2.gz GCLFPNQSLCWZAQ-JTQLQIEISA-N 0 0 158.285 2.974 10 0 AFAERN CC(=O)Cc1cc2ccoc2cc1F 258070191 573616851 /nfs/dbraw/zinc/61/68/51/573616851.db2.gz MDVGLLQCUCXWRL-UHFFFAOYSA-N 0 0 192.189 2.703 10 0 AFAERN Cn1c(=S)[nH]c2c(Cl)cccc21 96379075 573616878 /nfs/dbraw/zinc/61/68/78/573616878.db2.gz IKXRLPDRXZSWHI-UHFFFAOYSA-N 0 0 198.678 2.889 10 0 AFAERN CC(=O)[C@H]1CCCC[C@H]1C(F)(F)F 96379030 573616972 /nfs/dbraw/zinc/61/69/72/573616972.db2.gz WYRXXXHYERBZPB-HTQZYQBOSA-N 0 0 194.196 2.944 10 0 AFAERN CC[C@H](C)C[C@H](O)c1csc(C)n1 126651644 573617179 /nfs/dbraw/zinc/61/71/79/573617179.db2.gz DUIHWVHGCXJTLG-XVKPBYJWSA-N 0 0 199.319 2.921 10 0 AFAERN O=Cc1ccc(NC2CCCC2)cc1 236413893 573621481 /nfs/dbraw/zinc/62/14/81/573621481.db2.gz YVWOOHZCQIGVQA-UHFFFAOYSA-N 0 0 189.258 2.854 10 0 AFAERN CC1=CC[C@H]2C(=O)[C@]1(C)CC[C@@H]2C 238452914 573621546 /nfs/dbraw/zinc/62/15/46/573621546.db2.gz ZHXNJJJUNQYOGD-MKPLZMMCSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1c(CF)ccnc1C(F)F 238452651 573621566 /nfs/dbraw/zinc/62/15/66/573621566.db2.gz PXRVVGQDFCNPNI-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CSc1cccc2c1C[C@H](C)N2 107459533 573621701 /nfs/dbraw/zinc/62/17/01/573621701.db2.gz JNAUJEVCGNVJFK-ZETCQYMHSA-N 0 0 179.288 2.765 10 0 AFAERN CC[C@H](C)OC(=O)C1(C(C)C)CC1 393543466 573621748 /nfs/dbraw/zinc/62/17/48/573621748.db2.gz ARYLZOQAGCILHX-VIFPVBQESA-N 0 0 184.279 2.764 10 0 AFAERN c1cc2c(c(OC3CCC3)c1)CCN2 107462071 573621923 /nfs/dbraw/zinc/62/19/23/573621923.db2.gz KUOGBETTXZCAQV-UHFFFAOYSA-N 0 0 189.258 2.586 10 0 AFAERN CC1=CC[C@@H]2[C@@H](C)CC(=O)C[C@@H]2C1 238452460 573621967 /nfs/dbraw/zinc/62/19/67/573621967.db2.gz WYIIKNRSIQYHNY-JBLDHEPKSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1c(C(F)F)ccnc1CF 238452846 573622065 /nfs/dbraw/zinc/62/20/65/573622065.db2.gz ALWBWRNQLCFYEX-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN Cc1cccc2c1[C@H](C)CCN2 82405004 573622144 /nfs/dbraw/zinc/62/21/44/573622144.db2.gz NDNSPIBPEXKRIJ-SECBINFHSA-N 0 0 161.248 2.914 10 0 AFAERN C/C=C\CSc1nccn1CCC 308408792 573622274 /nfs/dbraw/zinc/62/22/74/573622274.db2.gz KVBDJTSQNRHLCV-HYXAFXHYSA-N 0 0 196.319 2.961 10 0 AFAERN CC(=O)c1cccc([C@H]2C[C@@H]2F)c1 259530825 573625323 /nfs/dbraw/zinc/62/53/23/573625323.db2.gz BCSDXRGOGSVUGS-MNOVXSKESA-N 0 0 178.206 2.715 10 0 AFAERN Cc1cc2nnn(C(C)C)c2cc1C 96548459 573625370 /nfs/dbraw/zinc/62/53/70/573625370.db2.gz QSSHZULKKNNKNP-UHFFFAOYSA-N 0 0 189.262 2.629 10 0 AFAERN CCc1ccc(/C=C(\C)[N+](=O)[O-])s1 145886450 573625416 /nfs/dbraw/zinc/62/54/16/573625416.db2.gz BMXBTIPHUSHTEH-VOTSOKGWSA-N 0 0 197.259 2.948 10 0 AFAERN CC(C)COc1ccc2[nH]ccc2n1 257834129 573625483 /nfs/dbraw/zinc/62/54/83/573625483.db2.gz KHGAXXLCQLFRFO-UHFFFAOYSA-N 0 0 190.246 2.598 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C)CC(=O)C2 238453145 573625543 /nfs/dbraw/zinc/62/55/43/573625543.db2.gz ITOKPLLLVQOWHB-VIFPVBQESA-N 0 0 174.243 2.614 10 0 AFAERN CC(=O)[C@H](C)C[Si](C)(C)C 238453712 573625854 /nfs/dbraw/zinc/62/58/54/573625854.db2.gz GRVBXCVMBTZHOO-SSDOTTSWSA-N 0 0 158.317 2.550 10 0 AFAERN Cc1cc(O)cc2c1CC[C@@H]2C 238454503 573627055 /nfs/dbraw/zinc/62/70/55/573627055.db2.gz BYUAZIYOGWPAGB-ZETCQYMHSA-N 0 0 162.232 2.750 10 0 AFAERN Cc1cc(-c2cccc(C)c2O)no1 75579024 573627126 /nfs/dbraw/zinc/62/71/26/573627126.db2.gz ZWDNRIWZZTUHLK-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN CCC(=O)c1cccc(Cl)c1N 75576361 573627156 /nfs/dbraw/zinc/62/71/56/573627156.db2.gz JCMYENLLUVYVFK-UHFFFAOYSA-N 0 0 183.638 2.515 10 0 AFAERN Cc1cc(=S)[nH]c2cc(N)ccc12 238453167 573627183 /nfs/dbraw/zinc/62/71/83/573627183.db2.gz QOTBBWNBJLONCH-UHFFFAOYSA-N 0 0 190.271 2.788 10 0 AFAERN CC(C)=CCc1ccc(O)c(C=O)c1 75579732 573627205 /nfs/dbraw/zinc/62/72/05/573627205.db2.gz LODIAKAYUBOALZ-UHFFFAOYSA-N 0 0 190.242 2.713 10 0 AFAERN C[C@@H]1CC[C@H](c2nc(C=O)cs2)C1 83782327 573627226 /nfs/dbraw/zinc/62/72/26/573627226.db2.gz AMNNKEAEBBSLNA-SFYZADRCSA-N 0 0 195.287 2.859 10 0 AFAERN Cc1cccc2c(N)cc(Cl)nc12 238454310 573627231 /nfs/dbraw/zinc/62/72/31/573627231.db2.gz ILTCODYZSMXONV-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Nc1ccccc1[C@@H]1C[C@@H]1C(F)F 259535399 573627260 /nfs/dbraw/zinc/62/72/60/573627260.db2.gz BJJJCKLPECXIFD-YUMQZZPRSA-N 0 0 183.201 2.637 10 0 AFAERN CC[C@@H](C)c1nc2cc(C)cnc2[nH]1 86796008 573627290 /nfs/dbraw/zinc/62/72/90/573627290.db2.gz ULNKGJGGEOWIPP-MRVPVSSYSA-N 0 0 189.262 2.780 10 0 AFAERN C[C@@H]1CCCC[C@@H](C)C(=O)C1 238454086 573627334 /nfs/dbraw/zinc/62/73/34/573627334.db2.gz UONGQQFGQCQQJX-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CCOC(=O)C[C@H](C)c1coc(C)c1 259532859 573627629 /nfs/dbraw/zinc/62/76/29/573627629.db2.gz AEPBQYRHLFTXDL-QMMMGPOBSA-N 0 0 196.246 2.645 10 0 AFAERN CCC(CC)[C@H](O)c1csc(C)n1 126689993 573627728 /nfs/dbraw/zinc/62/77/28/573627728.db2.gz BNRFSFHMQOBVGR-JTQLQIEISA-N 0 0 199.319 2.921 10 0 AFAERN O=Cc1c[nH]c(C2CCCCCC2)n1 83780069 573628789 /nfs/dbraw/zinc/62/87/89/573628789.db2.gz HTXUBLIGUUANHI-UHFFFAOYSA-N 0 0 192.262 2.660 10 0 AFAERN CCN1CC(C)(C)Nc2ccccc21 96548847 573628814 /nfs/dbraw/zinc/62/88/14/573628814.db2.gz CZDNVLJTUIFMSI-UHFFFAOYSA-N 0 0 190.290 2.717 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)C[C@H](C)N2 238454516 573628224 /nfs/dbraw/zinc/62/82/24/573628224.db2.gz HGYUUQUQYMQKRM-VHSXEESVSA-N 0 0 190.290 3.000 10 0 AFAERN C=Cc1nc([C@@H]2CC[C@H](C)C2)no1 83781218 573628290 /nfs/dbraw/zinc/62/82/90/573628290.db2.gz WBXPPLWGIYAWGU-JGVFFNPUSA-N 0 0 178.235 2.616 10 0 AFAERN C[C@H](O)c1nc2cccc(Cl)c2o1 238453440 573628301 /nfs/dbraw/zinc/62/83/01/573628301.db2.gz MEIPOSMSQUXBKX-YFKPBYRVSA-N 0 0 197.621 2.535 10 0 AFAERN Cc1ccc2ccc(N)c(F)c2c1 259535366 573628317 /nfs/dbraw/zinc/62/83/17/573628317.db2.gz BIYYPRRWGDZVFA-UHFFFAOYSA-N 0 0 175.206 2.870 10 0 AFAERN CC(C)OCc1cccc2c1NCC2 258072191 573628328 /nfs/dbraw/zinc/62/83/28/573628328.db2.gz JIRDHTHYWXZKQI-UHFFFAOYSA-N 0 0 191.274 2.580 10 0 AFAERN COC(=N)C1CCC(C)(C)CC1 83778868 573628357 /nfs/dbraw/zinc/62/83/57/573628357.db2.gz NERXHBDCDPKTGJ-UHFFFAOYSA-N 0 0 169.268 2.826 10 0 AFAERN Cc1coc2c(C)c(O)c(C=O)cc12 75579519 573628376 /nfs/dbraw/zinc/62/83/76/573628376.db2.gz JHBVRDPSWZVOFJ-UHFFFAOYSA-N 0 0 190.198 2.568 10 0 AFAERN C=Cc1nc([C@H]2CC[C@H](C)C2)no1 83781213 573628482 /nfs/dbraw/zinc/62/84/82/573628482.db2.gz WBXPPLWGIYAWGU-YUMQZZPRSA-N 0 0 178.235 2.616 10 0 AFAERN Cc1cc(C)n(-c2ccccc2N)c1 75577341 573628512 /nfs/dbraw/zinc/62/85/12/573628512.db2.gz KXXFZDAJMTUVGX-UHFFFAOYSA-N 0 0 186.258 2.676 10 0 AFAERN CC(=O)[C@@H]1CCC(C)(C)[C@@H]1C 238453149 573628516 /nfs/dbraw/zinc/62/85/16/573628516.db2.gz JUPRFNKIJFUYQP-VXNVDRBHSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1CCC[C@@H]2C(=O)CC[C@]12C 238453116 573628542 /nfs/dbraw/zinc/62/85/42/573628542.db2.gz JCPOKPLPALTMLG-IQJOONFLSA-N 0 0 166.264 2.792 10 0 AFAERN Clc1n[nH]c(C2CCCCCC2)n1 83780075 573628567 /nfs/dbraw/zinc/62/85/67/573628567.db2.gz SVWFCWQXUVDTLB-UHFFFAOYSA-N 0 0 199.685 2.896 10 0 AFAERN CCC1CCC(C(=N)OC)CC1 83778362 573628615 /nfs/dbraw/zinc/62/86/15/573628615.db2.gz JWGRVEIFXCZWGD-UHFFFAOYSA-N 0 0 169.268 2.826 10 0 AFAERN CC/C=C\C(=O)OCc1ccsc1 308409503 573628634 /nfs/dbraw/zinc/62/86/34/573628634.db2.gz LBQCRJHWEPUOJS-ARJAWSKDSA-N 0 0 196.271 2.758 10 0 AFAERN C[C@H]1CC/C=C/CCCC1=O 238454311 573628732 /nfs/dbraw/zinc/62/87/32/573628732.db2.gz HZUPKFURVDXMHY-HPOULIHZSA-N 0 0 152.237 2.712 10 0 AFAERN O[C@@H](C1CCCCCC1)C1CC1 83779201 573629860 /nfs/dbraw/zinc/62/98/60/573629860.db2.gz SHDCEIZHEGJVHF-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC(=O)C1CCC(C)(C)CC1 83778565 573629868 /nfs/dbraw/zinc/62/98/68/573629868.db2.gz BUBBPKYGMUFPIL-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(O)c(C=O)c2ccccc12 75577127 573629884 /nfs/dbraw/zinc/62/98/84/573629884.db2.gz RHQRUYKDAMPOIA-UHFFFAOYSA-N 0 0 186.210 2.666 10 0 AFAERN C[C@@H]1C=Cc2ccccc2[C@H](O)C1 238459126 573629910 /nfs/dbraw/zinc/62/99/10/573629910.db2.gz MTKAWPWTODGHRY-BXKDBHETSA-N 0 0 174.243 2.773 10 0 AFAERN CNc1cc2c3c(ccn3CCC2)c1 259532886 573629966 /nfs/dbraw/zinc/62/99/66/573629966.db2.gz SGNXMDJGJUHQCK-UHFFFAOYSA-N 0 0 186.258 2.629 10 0 AFAERN Cc1ccc(O)c2cccc(F)c12 238459816 573629988 /nfs/dbraw/zinc/62/99/88/573629988.db2.gz RUVNAOAXYCDTHF-UHFFFAOYSA-N 0 0 176.190 2.993 10 0 AFAERN CC(=O)C[C@@H](C)[C@@H]1CC=CCC1 238454741 573629998 /nfs/dbraw/zinc/62/99/98/573629998.db2.gz DFSNRLOCCCHWFJ-MWLCHTKSSA-N 0 0 166.264 2.958 10 0 AFAERN CCCC1CCC([C@@H](C)O)CC1 83780423 573630050 /nfs/dbraw/zinc/63/00/50/573630050.db2.gz MQGBSMZAHNWTPR-KPPDAEKUSA-N 0 0 170.296 2.974 10 0 AFAERN C=Cc1cc(C)c2c(c1)C(=O)CCN2 238459721 573630051 /nfs/dbraw/zinc/63/00/51/573630051.db2.gz ARNVVLAFJCMZER-UHFFFAOYSA-N 0 0 187.242 2.636 10 0 AFAERN COC(=N)C1CCCCCC1 83779830 573630118 /nfs/dbraw/zinc/63/01/18/573630118.db2.gz DGGXHYQUGOWWJO-UHFFFAOYSA-N 0 0 155.241 2.580 10 0 AFAERN Cc1ccc(O)c2ccc(O)c(C)c12 238459794 573630124 /nfs/dbraw/zinc/63/01/24/573630124.db2.gz XSWREQRNZSJFIQ-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN CCOCc1ccc(C)cc1C 96541962 573630165 /nfs/dbraw/zinc/63/01/65/573630165.db2.gz DKKPHKYNSJZHKL-UHFFFAOYSA-N 0 0 164.248 2.840 10 0 AFAERN Cc1cscc1C(=O)c1ccco1 86815197 573630177 /nfs/dbraw/zinc/63/01/77/573630177.db2.gz KSZOBBIKTBLLEY-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN Nc1ccccc1[C@H]1C[C@H]1C(F)F 259535391 573630211 /nfs/dbraw/zinc/63/02/11/573630211.db2.gz BJJJCKLPECXIFD-HTQZYQBOSA-N 0 0 183.201 2.637 10 0 AFAERN Cc1cnccc1-c1ccccc1O 75576869 573630214 /nfs/dbraw/zinc/63/02/14/573630214.db2.gz JSDAKLLULUWYEN-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CC(C)SCC(=O)Cc1ccco1 130625629 573630253 /nfs/dbraw/zinc/63/02/53/573630253.db2.gz ZCGQVCYENCYNLB-UHFFFAOYSA-N 0 0 198.287 2.533 10 0 AFAERN Cc1ccnc(-c2ccc(O)cc2)c1 75576868 573630445 /nfs/dbraw/zinc/63/04/45/573630445.db2.gz LBQHQMAIBBFACP-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN C=Cc1cc(C)cc(C=C)c1N 238459581 573632033 /nfs/dbraw/zinc/63/20/33/573632033.db2.gz CFUFJBXVDWQNOP-UHFFFAOYSA-N 0 0 159.232 2.863 10 0 AFAERN Clc1cccc(CC[C@H]2CO2)c1 107498605 573632073 /nfs/dbraw/zinc/63/20/73/573632073.db2.gz SNDDVDBTYPMUKJ-JTQLQIEISA-N 0 0 182.650 2.671 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)CC2CC2)C1 83784229 573632079 /nfs/dbraw/zinc/63/20/79/573632079.db2.gz QJQDAZPAGBFTEG-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc(O)c2c(C)ccc(O)c12 238459511 573631356 /nfs/dbraw/zinc/63/13/56/573631356.db2.gz XSAWNJXBISKENL-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN Cc1ccc(=O)c2c(C)cc[nH]c1-2 238459532 573631402 /nfs/dbraw/zinc/63/14/02/573631402.db2.gz XOEJQVNTDWHCGL-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN Cc1cc(C/C=C/Cl)ccc1O 75576159 573631412 /nfs/dbraw/zinc/63/14/12/573631412.db2.gz XRYNDIKVEWXBSM-QHHAFSJGSA-N 0 0 182.650 2.996 10 0 AFAERN Cc1noc(-c2ccccc2O)c1C 75579018 573631467 /nfs/dbraw/zinc/63/14/67/573631467.db2.gz AUSAEXQQOISPGD-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN C/C(Cl)=C(/Cl)N1CCCC1 221619596 573631514 /nfs/dbraw/zinc/63/15/14/573631514.db2.gz PJXQZCAASZERFY-VOTSOKGWSA-N 0 0 180.078 2.749 10 0 AFAERN Cc1csc2cccc(CON)c12 258073005 573631527 /nfs/dbraw/zinc/63/15/27/573631527.db2.gz MKFVDDMOPIVFSF-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN C[C@]1(CO)CCCCc2ccccc21 238454860 573631531 /nfs/dbraw/zinc/63/15/31/573631531.db2.gz YVQCKSDEOUMJKD-CYBMUJFWSA-N 0 0 190.286 2.663 10 0 AFAERN O=C(CCCCF)[C@H]1C[C@@H]2C[C@@H]2C1 393544577 573631579 /nfs/dbraw/zinc/63/15/79/573631579.db2.gz CMFAQFWLGJYNDW-ILWJIGKKSA-N 0 0 184.254 2.741 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cscc1C 86817014 573631601 /nfs/dbraw/zinc/63/16/01/573631601.db2.gz RAKYFSJDSFQYNN-SCZZXKLOSA-N 0 0 182.288 2.674 10 0 AFAERN Cc1cscc1-c1noc(N)c1C 86815846 573631757 /nfs/dbraw/zinc/63/17/57/573631757.db2.gz UJODXWWRTZFDBG-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN C[C@H]1CC(=O)Nc2c(Cl)cccc21 238454903 573631785 /nfs/dbraw/zinc/63/17/85/573631785.db2.gz YEPOHXCKLZUIKN-LURJTMIESA-N 0 0 195.649 2.786 10 0 AFAERN Cc1cscc1[C@@H](N)c1ccco1 86815425 573631794 /nfs/dbraw/zinc/63/17/94/573631794.db2.gz MUMWBCXYMIQORE-SNVBAGLBSA-N 0 0 193.271 2.698 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)c2ccco2)C1 83786368 573631844 /nfs/dbraw/zinc/63/18/44/573631844.db2.gz CJNFZTKBAOVWMP-KKZNHRDASA-N 0 0 180.247 2.749 10 0 AFAERN FCCOc1ccc2c(c1)CCCC2 96586672 573631973 /nfs/dbraw/zinc/63/19/73/573631973.db2.gz LMQOQEICBOAOBN-UHFFFAOYSA-N 0 0 194.249 2.914 10 0 AFAERN Nc1cccc(-c2c[nH]c(C3CC3)n2)c1 258073298 573631984 /nfs/dbraw/zinc/63/19/84/573631984.db2.gz LRVIGFYZYSEOKT-UHFFFAOYSA-N 0 0 199.257 2.536 10 0 AFAERN CC(=O)N[C@H]1[C@@H](C)CC(C)(C)C1(C)C 238460145 573631985 /nfs/dbraw/zinc/63/19/85/573631985.db2.gz QOUZVWZEHLRFTC-WPRPVWTQSA-N 0 0 197.322 2.583 10 0 AFAERN Cc1ccc(O)c2c(C)c(O)ccc12 238459488 573631987 /nfs/dbraw/zinc/63/19/87/573631987.db2.gz XYQNNHFALRQLEB-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN Cc1cccc2nc(Cl)nc(C)c12 238459201 573631997 /nfs/dbraw/zinc/63/19/97/573631997.db2.gz AMAQEPYMTAYIOM-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN Cc1ccc(O)c2c(O)cccc12 238459637 573632003 /nfs/dbraw/zinc/63/20/03/573632003.db2.gz HWYNVZRFWVDPEC-UHFFFAOYSA-N 0 0 174.199 2.559 10 0 AFAERN Cc1ccc([C@H](F)CO)cc1Cl 257834813 573634390 /nfs/dbraw/zinc/63/43/90/573634390.db2.gz LOGNQGVGUFMUPN-SECBINFHSA-N 0 0 188.629 2.651 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)c2cccnc2)C1 83784702 573634413 /nfs/dbraw/zinc/63/44/13/573634413.db2.gz RELGMIQPKIZEKC-ZJUUUORDSA-N 0 0 189.258 2.701 10 0 AFAERN CCC[C@@H]1C[C@@H]1C(=O)OCC(C)C 393544515 573634427 /nfs/dbraw/zinc/63/44/27/573634427.db2.gz CFBRBSFRTWTSGD-ZJUUUORDSA-N 0 0 184.279 2.622 10 0 AFAERN CSc1ccc(C)c(C2(O)CC2)c1 258072705 573634465 /nfs/dbraw/zinc/63/44/65/573634465.db2.gz MIAKXTSQKKVGER-UHFFFAOYSA-N 0 0 194.299 2.698 10 0 AFAERN CCCC(=O)[C@H]1CC[C@@H](C)C1 83784733 573634536 /nfs/dbraw/zinc/63/45/36/573634536.db2.gz OSVNCGPOUJCGMO-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@](F)(c1ccc(N)cc1)C1CC1 259538311 573634582 /nfs/dbraw/zinc/63/45/82/573634582.db2.gz BNPCTSDHTIZEQN-LLVKDONJSA-N 0 0 179.238 2.864 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)c2ccco2)C1 83786364 573634602 /nfs/dbraw/zinc/63/46/02/573634602.db2.gz CJNFZTKBAOVWMP-YWVKMMECSA-N 0 0 180.247 2.749 10 0 AFAERN C[C@@H]1[C@H](O)C(Cl)=C2C=CC=CC[C@@H]21 238461184 573634615 /nfs/dbraw/zinc/63/46/15/573634615.db2.gz CFZSFTFZFROULD-RNSXUZJQSA-N 0 0 196.677 2.622 10 0 AFAERN C[C@H]1CC(=O)[C@H](C2CCCC2)C1 238466799 573634779 /nfs/dbraw/zinc/63/47/79/573634779.db2.gz JKZULBINKJEHDJ-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cscc1C 86817016 573634791 /nfs/dbraw/zinc/63/47/91/573634791.db2.gz RAKYFSJDSFQYNN-WPRPVWTQSA-N 0 0 182.288 2.674 10 0 AFAERN C[C@H]1CC[C@H](C(=O)c2ccoc2)C1 83784378 573634802 /nfs/dbraw/zinc/63/48/02/573634802.db2.gz VQPJUEWMGGVACD-IUCAKERBSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@H]1CC[C@]2(CC2(C)C)C(=O)C1 238461286 573634896 /nfs/dbraw/zinc/63/48/96/573634896.db2.gz YCOCPBNRGBQONT-KWQFWETISA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)C2CCCC2)C1 83785565 573634945 /nfs/dbraw/zinc/63/49/45/573634945.db2.gz UMSAZWIOZNBFNG-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)CC2CC2)C1 83784236 573635002 /nfs/dbraw/zinc/63/50/02/573635002.db2.gz QJQDAZPAGBFTEG-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)C(=O)[C@@H]1CC[C@H](C)C1 83784194 573635010 /nfs/dbraw/zinc/63/50/10/573635010.db2.gz GEUINYLILIYHOG-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CC1=C2CCCC[C@@H]2[C@H](C)[C@@H]1O 238461145 573635079 /nfs/dbraw/zinc/63/50/79/573635079.db2.gz PWSFKYJHUJWPPM-NMLBEHRDSA-N 0 0 166.264 2.504 10 0 AFAERN C[C@@H]1CC[C@@H](c2noc(Cl)n2)C1 83789123 573635103 /nfs/dbraw/zinc/63/51/03/573635103.db2.gz INYXQWZWLGANRG-PHDIDXHHSA-N 0 0 186.642 2.627 10 0 AFAERN Cc1ccc([C@H](C)CC(N)=S)s1 107542864 573635106 /nfs/dbraw/zinc/63/51/06/573635106.db2.gz HYUQZHLRVJHQGW-ZCFIWIBFSA-N 0 0 199.344 2.836 10 0 AFAERN C[C@H](CC(N)=S)c1cccs1 107594932 573636539 /nfs/dbraw/zinc/63/65/39/573636539.db2.gz RSCJDXLTKLLKPW-ZCFIWIBFSA-N 0 0 185.317 2.528 10 0 AFAERN Fc1ccc(SCC[C@@H]2CO2)cc1 393544084 573636621 /nfs/dbraw/zinc/63/66/21/573636621.db2.gz AYOOWAGPXNJGGB-SECBINFHSA-N 0 0 198.262 2.707 10 0 AFAERN CC[C@H]1CCC[C@H]([C@H](C)O)C1 83791235 573635941 /nfs/dbraw/zinc/63/59/41/573635941.db2.gz OXULJEUHOOOODE-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1CCC[C@H](C(=N)OC)C1 83789128 573635980 /nfs/dbraw/zinc/63/59/80/573635980.db2.gz TWOGCSNBNXXUOV-BDAKNGLRSA-N 0 0 169.268 2.826 10 0 AFAERN Cc1ccc([C@@H](C)CC(N)=S)s1 107542862 573636010 /nfs/dbraw/zinc/63/60/10/573636010.db2.gz HYUQZHLRVJHQGW-LURJTMIESA-N 0 0 199.344 2.836 10 0 AFAERN C[C@@]12C3=C[C@@H]1CC[C@@H]2C(=O)CCC3 238460292 573636098 /nfs/dbraw/zinc/63/60/98/573636098.db2.gz AXCRKQQWNSYSSU-HOSYDEDBSA-N 0 0 176.259 2.712 10 0 AFAERN Fc1ccc2c(c1)SC1(CC1)CN2 259145750 573636130 /nfs/dbraw/zinc/63/61/30/573636130.db2.gz HLQKHYXQJNHNRN-UHFFFAOYSA-N 0 0 195.262 2.876 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)CC2CC2)C1 83786422 573636166 /nfs/dbraw/zinc/63/61/66/573636166.db2.gz NLFGPXQRWXGVNI-FBIMIBRVSA-N 0 0 168.280 2.584 10 0 AFAERN O=Cc1ccc2c(Cl)cccc2n1 75580414 573636212 /nfs/dbraw/zinc/63/62/12/573636212.db2.gz NPLRZICGFXYYTH-UHFFFAOYSA-N 0 0 191.617 2.701 10 0 AFAERN C[C@@H]1CC[C@H](c2noc(Cl)n2)C1 83789119 573636237 /nfs/dbraw/zinc/63/62/37/573636237.db2.gz INYXQWZWLGANRG-RITPCOANSA-N 0 0 186.642 2.627 10 0 AFAERN CC[C@@H]1CCC[C@@H]([C@H](C)O)C1 83791237 573636271 /nfs/dbraw/zinc/63/62/71/573636271.db2.gz OXULJEUHOOOODE-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc(NC(=O)C(C)C)s1 148535591 573636275 /nfs/dbraw/zinc/63/62/75/573636275.db2.gz NVSGQPDFZXBUKR-UHFFFAOYSA-N 0 0 183.276 2.651 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)c2ccoc2)C1 83784375 573636291 /nfs/dbraw/zinc/63/62/91/573636291.db2.gz VQPJUEWMGGVACD-BDAKNGLRSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@H]1CC[C@@H](c2ncc(C=O)s2)C1 83789158 573636326 /nfs/dbraw/zinc/63/63/26/573636326.db2.gz ASWMMAVQMJLQMM-JGVFFNPUSA-N 0 0 195.287 2.859 10 0 AFAERN C[C@H]1CC[C@H](c2ncc(C=O)s2)C1 83789154 573636347 /nfs/dbraw/zinc/63/63/47/573636347.db2.gz ASWMMAVQMJLQMM-YUMQZZPRSA-N 0 0 195.287 2.859 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)c2ccoc2)C1 83786356 573636366 /nfs/dbraw/zinc/63/63/66/573636366.db2.gz QLRCNKSRPMPULE-YWVKMMECSA-N 0 0 180.247 2.749 10 0 AFAERN CC(C)[C@@]1(C)Cc2cc(O)ccc2O1 75580914 573636422 /nfs/dbraw/zinc/63/64/22/573636422.db2.gz RLNQUXSUIZFGCI-GFCCVEGCSA-N 0 0 192.258 2.742 10 0 AFAERN Cc1cncc2cc(C3(O)CC3)ccc12 258073905 573636453 /nfs/dbraw/zinc/63/64/53/573636453.db2.gz IFBJSRXUYBWDIO-UHFFFAOYSA-N 0 0 199.253 2.525 10 0 AFAERN Cc1ccc([C@@H](F)CO)cc1Cl 257834814 573636454 /nfs/dbraw/zinc/63/64/54/573636454.db2.gz LOGNQGVGUFMUPN-VIFPVBQESA-N 0 0 188.629 2.651 10 0 AFAERN OC(CCC1CC1)(C1CC1)C1CC1 393544063 573636455 /nfs/dbraw/zinc/63/64/55/573636455.db2.gz AWOXAPWIBRGAFI-UHFFFAOYSA-N 0 0 180.291 2.728 10 0 AFAERN C[C@@H]1CC(=O)C[C@H](c2ccco2)C1 238461121 573636470 /nfs/dbraw/zinc/63/64/70/573636470.db2.gz XAVHUXMIYUZXCV-DTWKUNHWSA-N 0 0 178.231 2.752 10 0 AFAERN Cc1cc(N)nc2cccc(Cl)c12 75581091 573636478 /nfs/dbraw/zinc/63/64/78/573636478.db2.gz ABTQROPCDSRPGW-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCC[C@H]1C[C@H]1C(=O)OCC(C)C 393544513 573636482 /nfs/dbraw/zinc/63/64/82/573636482.db2.gz CFBRBSFRTWTSGD-VHSXEESVSA-N 0 0 184.279 2.622 10 0 AFAERN C[C@@H]1CCCC[C@@]1(C)CCO 238460930 573636507 /nfs/dbraw/zinc/63/65/07/573636507.db2.gz YEQCWIIMYXLNCS-ZJUUUORDSA-N 0 0 156.269 2.585 10 0 AFAERN Cc1ccsc1[C@H](C)CC(N)=S 107541658 573637221 /nfs/dbraw/zinc/63/72/21/573637221.db2.gz CVMFEQXSQLDTHW-SSDOTTSWSA-N 0 0 199.344 2.836 10 0 AFAERN COC(=O)c1cc(C(C)C)cs1 221749816 573637280 /nfs/dbraw/zinc/63/72/80/573637280.db2.gz WESJQFKRMMKOGK-UHFFFAOYSA-N 0 0 184.260 2.658 10 0 AFAERN CC(C)[C@H](O)[C@@H]1CCc2ccccc21 83800082 573637313 /nfs/dbraw/zinc/63/73/13/573637313.db2.gz PCHYISJONNONFL-OLZOCXBDSA-N 0 0 190.286 2.733 10 0 AFAERN CCC[C@@H](O)[C@@H]1CCc2ccccc21 83800018 573637355 /nfs/dbraw/zinc/63/73/55/573637355.db2.gz ALAZUOHSOGLXFM-CHWSQXEVSA-N 0 0 190.286 2.877 10 0 AFAERN Cc1ncc(C(F)F)c(F)c1C 238461110 573637379 /nfs/dbraw/zinc/63/73/79/573637379.db2.gz OTZCXQVHJBGORH-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN CC[C@H]1CC[C@H](C(=O)C2CC2)C1 83792940 573637462 /nfs/dbraw/zinc/63/74/62/573637462.db2.gz XWBQRULOMSBPFL-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN CCC[C@H](O)[C@@H]1CCc2ccccc21 83800016 573637470 /nfs/dbraw/zinc/63/74/70/573637470.db2.gz ALAZUOHSOGLXFM-OLZOCXBDSA-N 0 0 190.286 2.877 10 0 AFAERN CCc1c(C)cnc2scc(N)c12 75584660 573637498 /nfs/dbraw/zinc/63/74/98/573637498.db2.gz JECOHIVKCRTPBH-UHFFFAOYSA-N 0 0 192.287 2.749 10 0 AFAERN Cc1ccc(Nc2ccc[nH]2)c(N)c1 258826958 573637601 /nfs/dbraw/zinc/63/76/01/573637601.db2.gz PNPZMFKPJQUSAS-UHFFFAOYSA-N 0 0 187.246 2.649 10 0 AFAERN CCc1cc(N(C)C)c(C(C)=O)s1 75590928 573637630 /nfs/dbraw/zinc/63/76/30/573637630.db2.gz WWAWOIMBSKQXLS-UHFFFAOYSA-N 0 0 197.303 2.579 10 0 AFAERN CC[C@@H]1CC[C@@H](C(=O)C2CC2)C1 83792942 573637711 /nfs/dbraw/zinc/63/77/11/573637711.db2.gz XWBQRULOMSBPFL-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)[C@H]1CNc2ccsc2O1 75592579 573637721 /nfs/dbraw/zinc/63/77/21/573637721.db2.gz DHVNPYIAPIFAFT-MRVPVSSYSA-N 0 0 183.276 2.577 10 0 AFAERN Oc1cccc2[nH]nc(C3CCC3)c12 257844955 573637736 /nfs/dbraw/zinc/63/77/36/573637736.db2.gz NIWBZMQRXIJQFL-UHFFFAOYSA-N 0 0 188.230 2.536 10 0 AFAERN CC(C)C(=O)[C@@H]1CCc2ccccc21 83798635 573637785 /nfs/dbraw/zinc/63/77/85/573637785.db2.gz RGENGKVEHRNBIV-GFCCVEGCSA-N 0 0 188.270 2.942 10 0 AFAERN CC[C@H]1CC[C@@H]([C@H](O)CC)C1 83798989 573637859 /nfs/dbraw/zinc/63/78/59/573637859.db2.gz WQQQRNUNUXRBPJ-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@H](O)[C@@H]1CC[C@H](CC)C1 83798821 573637889 /nfs/dbraw/zinc/63/78/89/573637889.db2.gz VWIWWFDTQYCIKT-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CC(=O)c1sc(C(C)C)cc1N 75590716 573640104 /nfs/dbraw/zinc/64/01/04/573640104.db2.gz JYGDEXIMRKHODM-UHFFFAOYSA-N 0 0 183.276 2.656 10 0 AFAERN Cc1cccnc1[C@H]([NH3+])CC(C)(C)C 238461453 573640146 /nfs/dbraw/zinc/64/01/46/573640146.db2.gz DCRSVYIAZNIRLK-SNVBAGLBSA-N 0 0 192.306 2.826 10 0 AFAERN Clc1ccc(CC[C@@H]2CO2)s1 107595976 573640242 /nfs/dbraw/zinc/64/02/42/573640242.db2.gz LAHGSFUEAWJWFR-ZCFIWIBFSA-N 0 0 188.679 2.733 10 0 AFAERN COc1cc(N)ccc1SC(C)C 86829518 573640269 /nfs/dbraw/zinc/64/02/69/573640269.db2.gz GWIIDZZQUPGKRG-UHFFFAOYSA-N 0 0 197.303 2.778 10 0 AFAERN CCC(=O)[C@@H]1CC[C@@H](CC)C1 83793130 573640341 /nfs/dbraw/zinc/64/03/41/573640341.db2.gz DKKUKWACFVKORK-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1[C@H](O)CCC12CCCCC2 238461521 573640394 /nfs/dbraw/zinc/64/03/94/573640394.db2.gz OKDQNQIRAUBDNZ-NXEZZACHSA-N 0 0 168.280 2.728 10 0 AFAERN CCC(=O)[C@H]1CC[C@H](CC)C1 83793126 573640469 /nfs/dbraw/zinc/64/04/69/573640469.db2.gz DKKUKWACFVKORK-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(NC(=O)OC(C)(C)C)co1 238461423 573640490 /nfs/dbraw/zinc/64/04/90/573640490.db2.gz ZYVJROXHVYMVHG-UHFFFAOYSA-N 0 0 197.234 2.935 10 0 AFAERN CCC(=O)[C@@H]1CCc2ccccc21 83798621 573640555 /nfs/dbraw/zinc/64/05/55/573640555.db2.gz INZNCCYOZSCIAA-LLVKDONJSA-N 0 0 174.243 2.696 10 0 AFAERN CCC(=O)[C@H]1CC[C@@H](CC)C1 83793122 573640585 /nfs/dbraw/zinc/64/05/85/573640585.db2.gz DKKUKWACFVKORK-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H]1CC[C@H]([C@H](O)CC)C1 83798985 573640670 /nfs/dbraw/zinc/64/06/70/573640670.db2.gz WQQQRNUNUXRBPJ-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1CC[C@H]([C@H](O)C(C)C)C1 83799047 573640768 /nfs/dbraw/zinc/64/07/68/573640768.db2.gz UZLWOOZOVRADKP-OUAUKWLOSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1cccc(C(F)(F)CNC)c1 257845485 573640845 /nfs/dbraw/zinc/64/08/45/573640845.db2.gz PYRRPAFPSNUBFD-UHFFFAOYSA-N 0 0 199.244 2.560 10 0 AFAERN Oc1cccc([C@H]2CCC2(F)F)c1 259538875 573643568 /nfs/dbraw/zinc/64/35/68/573643568.db2.gz BRNVMWVPGHYBFW-SECBINFHSA-N 0 0 184.185 2.905 10 0 AFAERN CC[C@H]1CC[C@H](c2nc(C=O)c[nH]2)C1 83803845 573643625 /nfs/dbraw/zinc/64/36/25/573643625.db2.gz AZJMHGSZUJFLKX-IUCAKERBSA-N 0 0 192.262 2.516 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@@H]2C)ccc1F 83806837 573642922 /nfs/dbraw/zinc/64/29/22/573642922.db2.gz SFMFFWXJWSFVHS-XVKPBYJWSA-N 0 0 192.233 2.973 10 0 AFAERN Cc1ccc(F)cc1C(=O)[C@H]1C[C@@H]1C 83806574 573642927 /nfs/dbraw/zinc/64/29/27/573642927.db2.gz KHMKWLHYJZYBCO-WPRPVWTQSA-N 0 0 192.233 2.973 10 0 AFAERN Cc1cc(Cl)nc([C@@H]2C[C@H]2C)n1 83806162 573642967 /nfs/dbraw/zinc/64/29/67/573642967.db2.gz QMYBLLKRHDDYKB-IYSWYEEDSA-N 0 0 182.654 2.562 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@H]2C)ccc1F 83806842 573642990 /nfs/dbraw/zinc/64/29/90/573642990.db2.gz SFMFFWXJWSFVHS-XCBNKYQSSA-N 0 0 192.233 2.973 10 0 AFAERN CC[C@H](C)CC(=O)[C@@H]1C[C@@H]1C 83807094 573642997 /nfs/dbraw/zinc/64/29/97/573642997.db2.gz ZAVRGTJIOHNJQF-XHNCKOQMSA-N 0 0 154.253 2.648 10 0 AFAERN CC1(C)C[C@@H](O)c2c(F)ccc(F)c21 86832671 573642999 /nfs/dbraw/zinc/64/29/99/573642999.db2.gz KMCCDCIRIPPJCE-MRVPVSSYSA-N 0 0 198.212 2.680 10 0 AFAERN Cc1occc1NC(=O)OC(C)(C)C 238463635 573643002 /nfs/dbraw/zinc/64/30/02/573643002.db2.gz SHMUADXLNAPFRA-UHFFFAOYSA-N 0 0 197.234 2.935 10 0 AFAERN COc1cccc(C(=O)[C@H]2C[C@H]2C)c1 83807191 573643004 /nfs/dbraw/zinc/64/30/04/573643004.db2.gz CCHKMGWXFUYCAM-KCJUWKMLSA-N 0 0 190.242 2.534 10 0 AFAERN CC1(C)C[C@H](O)c2c(F)ccc(F)c21 86832670 573643024 /nfs/dbraw/zinc/64/30/24/573643024.db2.gz KMCCDCIRIPPJCE-QMMMGPOBSA-N 0 0 198.212 2.680 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)C1CCCCC1 83806853 573643048 /nfs/dbraw/zinc/64/30/48/573643048.db2.gz VOYOMOMJHQGUNK-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc(F)c(C(=O)[C@@H]2C[C@H]2C)c1 83807103 573643054 /nfs/dbraw/zinc/64/30/54/573643054.db2.gz GPNBFVBBGDXEDV-RKDXNWHRSA-N 0 0 192.233 2.973 10 0 AFAERN Cc1cc(F)ccc1C(=O)[C@H]1C[C@@H]1C 83806703 573643085 /nfs/dbraw/zinc/64/30/85/573643085.db2.gz VFRQQPQDTRQBJF-KWQFWETISA-N 0 0 192.233 2.973 10 0 AFAERN CC1(C)CCCC[C@H]1Nc1cn[nH]c1 86843016 573643108 /nfs/dbraw/zinc/64/31/08/573643108.db2.gz AOPYLNWOQBANLO-SNVBAGLBSA-N 0 0 193.294 2.790 10 0 AFAERN Cc1nc([C@H]2C[C@H]2C)nc(Cl)c1C 83806206 573643142 /nfs/dbraw/zinc/64/31/42/573643142.db2.gz VNPZVWWJDUTDOF-XRGYYRRGSA-N 0 0 196.681 2.870 10 0 AFAERN Cc1[nH]cc(C(F)F)c(=O)c1Cl 238463325 573643184 /nfs/dbraw/zinc/64/31/84/573643184.db2.gz CKFBWEDZOUNGJH-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1ccsc1 83806866 573643271 /nfs/dbraw/zinc/64/32/71/573643271.db2.gz CUBSXHGXPSGZQP-SVRRBLITSA-N 0 0 166.245 2.587 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1ccsc1 83806867 573643337 /nfs/dbraw/zinc/64/33/37/573643337.db2.gz CUBSXHGXPSGZQP-XPUUQOCRSA-N 0 0 166.245 2.587 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1ccccc1F 83807232 573643349 /nfs/dbraw/zinc/64/33/49/573643349.db2.gz QVKCUOUMCMLQKS-VXNVDRBHSA-N 0 0 178.206 2.664 10 0 AFAERN Cc1ccc(O)c2cccc(O)c12 224467195 573643397 /nfs/dbraw/zinc/64/33/97/573643397.db2.gz DIXOMIOAEOIZJP-UHFFFAOYSA-N 0 0 174.199 2.559 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@H]2C)cs1 83807178 573643428 /nfs/dbraw/zinc/64/34/28/573643428.db2.gz DPQGKKWAYPVOPA-MUWHJKNJSA-N 0 0 180.272 2.895 10 0 AFAERN C[C@H]1CCc2c(Cl)ccc(O)c2N1 238462550 573643436 /nfs/dbraw/zinc/64/34/36/573643436.db2.gz YFDCWNWSUUPFBT-LURJTMIESA-N 0 0 197.665 2.792 10 0 AFAERN Cc1ccc(F)cc1C(=O)[C@H]1C[C@H]1C 83806579 573643459 /nfs/dbraw/zinc/64/34/59/573643459.db2.gz KHMKWLHYJZYBCO-SCZZXKLOSA-N 0 0 192.233 2.973 10 0 AFAERN COc1ccccc1C(=O)[C@@H]1C[C@H]1C 83807059 573643476 /nfs/dbraw/zinc/64/34/76/573643476.db2.gz QFJYJPGYNCMLAM-PSASIEDQSA-N 0 0 190.242 2.534 10 0 AFAERN CC(C)CCC(=O)[C@@H]1C[C@@H]1C 83806447 573643487 /nfs/dbraw/zinc/64/34/87/573643487.db2.gz ZLJOPYJATDCESJ-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)CC1CCCC1 83806559 573643512 /nfs/dbraw/zinc/64/35/12/573643512.db2.gz OXYWGZOFORFPOS-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN CCCNc1cccc(N(C)C)c1 107786644 573643514 /nfs/dbraw/zinc/64/35/14/573643514.db2.gz NZEHTYXUFSTSJV-UHFFFAOYSA-N 0 0 178.279 2.575 10 0 AFAERN Cc1cc(F)ccc1C(=O)[C@@H]1C[C@@H]1C 83806701 573643527 /nfs/dbraw/zinc/64/35/27/573643527.db2.gz VFRQQPQDTRQBJF-GZMMTYOYSA-N 0 0 192.233 2.973 10 0 AFAERN CC1(C)CCCC[C@@]1(O)C1CC1 86849026 573647944 /nfs/dbraw/zinc/64/79/44/573647944.db2.gz DTXAGNAMVPTUPZ-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CCCCCC[C@@H]1NC(=O)[C@@]1(C)CC 308654559 573647098 /nfs/dbraw/zinc/64/70/98/573647098.db2.gz MQJZSZCLRRYUNX-JQWIXIFHSA-N 0 0 197.322 2.872 10 0 AFAERN Cc1cccc([C@H](O)[C@@H]2C[C@@H]2C)c1C 83807572 573647408 /nfs/dbraw/zinc/64/74/08/573647408.db2.gz RBMRAKALASDXNO-BIMULSAOSA-N 0 0 190.286 2.993 10 0 AFAERN C[C@H](O)c1cccc(-c2ccco2)c1 404826344 573647410 /nfs/dbraw/zinc/64/74/10/573647410.db2.gz GQQLMLPXSNNNCU-VIFPVBQESA-N 0 0 188.226 3.000 10 0 AFAERN Cc1ncc(C(F)F)cc1Cl 238464135 573647427 /nfs/dbraw/zinc/64/74/27/573647427.db2.gz CZJJIRWLKQSUBX-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)c1cc(F)cc(F)c1 83807643 573647441 /nfs/dbraw/zinc/64/74/41/573647441.db2.gz OLUOTFYGZDRMGD-LIEZGIJOSA-N 0 0 198.212 2.654 10 0 AFAERN CCCCCC[C@H]1NC(=O)[C@]1(C)CC 308654561 573647513 /nfs/dbraw/zinc/64/75/13/573647513.db2.gz MQJZSZCLRRYUNX-ZYHUDNBSSA-N 0 0 197.322 2.872 10 0 AFAERN CC1(C)CCCc2sc(C=O)nc21 86847905 573647529 /nfs/dbraw/zinc/64/75/29/573647529.db2.gz VEMNWSDRAUAUEJ-UHFFFAOYSA-N 0 0 195.287 2.570 10 0 AFAERN C[C@H]1CCc2cccc(O)c2S1 238464091 573647552 /nfs/dbraw/zinc/64/75/52/573647552.db2.gz IAZMNZRDMZECRC-ZETCQYMHSA-N 0 0 180.272 2.819 10 0 AFAERN CC[C@@]1(c2ccccc2C)C[C@H]1CO 257839791 573647585 /nfs/dbraw/zinc/64/75/85/573647585.db2.gz LSNPORKNRIDVKN-WCQYABFASA-N 0 0 190.286 2.655 10 0 AFAERN Cc1ccc(F)cc1[C@H](O)[C@@H]1C[C@@H]1C 83807988 573647673 /nfs/dbraw/zinc/64/76/73/573647673.db2.gz DGMKBBYEROHUKQ-MKPLZMMCSA-N 0 0 194.249 2.824 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)C1CCCCC1 83807428 573647703 /nfs/dbraw/zinc/64/77/03/573647703.db2.gz MCXIMZILCUQXJA-DVVUODLYSA-N 0 0 168.280 2.584 10 0 AFAERN CC(=O)c1nocc1C1CCCC1 257840023 573647779 /nfs/dbraw/zinc/64/77/79/573647779.db2.gz NLCQEJOMJBYFJO-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN CC1CCC([C@H](O)[C@@H]2C[C@@H]2C)CC1 83807500 573647784 /nfs/dbraw/zinc/64/77/84/573647784.db2.gz QAFUVQLUFHVVEW-XQEWSXQJSA-N 0 0 182.307 2.830 10 0 AFAERN CCCc1c(N)noc1[C@@H]1C[C@@H]1CC 387572095 573647799 /nfs/dbraw/zinc/64/77/99/573647799.db2.gz JONRJGGZASKLSX-IONNQARKSA-N 0 0 194.278 2.553 10 0 AFAERN CC[C@@]1(C)CC[C@@](O)(C(F)(F)F)C1 107784694 573647830 /nfs/dbraw/zinc/64/78/30/573647830.db2.gz NBCAYEUJYOPARS-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN CCC[C@@H]1CC[C@@](O)(C(F)(F)F)C1 107784886 573647838 /nfs/dbraw/zinc/64/78/38/573647838.db2.gz HZOBHMMJMBVZEC-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN CCc1ccc2c(c1)[C@@H](N(C)O)CC2 96865584 573647894 /nfs/dbraw/zinc/64/78/94/573647894.db2.gz RFFFOCOQIVIKPP-LBPRGKRZSA-N 0 0 191.274 2.557 10 0 AFAERN CNCC(F)(F)c1cccc(C)c1C 257840047 573648662 /nfs/dbraw/zinc/64/86/62/573648662.db2.gz NMHXKFWRJQOJBO-UHFFFAOYSA-N 0 0 199.244 2.615 10 0 AFAERN CC1CCC([C@H](O)[C@H]2C[C@@H]2C)CC1 83807502 573648782 /nfs/dbraw/zinc/64/87/82/573648782.db2.gz QAFUVQLUFHVVEW-ZBJRIAIXSA-N 0 0 182.307 2.830 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)c1cccc(F)c1F 83807488 573648821 /nfs/dbraw/zinc/64/88/21/573648821.db2.gz KACUQFFELZBZLF-CDOJRTKCSA-N 0 0 198.212 2.654 10 0 AFAERN CC[C@@]1(O)CCCCC1(C)C 86848995 573648850 /nfs/dbraw/zinc/64/88/50/573648850.db2.gz IGRLUGDGCRABMV-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1c(Cl)ccc2c1NC(=O)CC2 238466128 573648852 /nfs/dbraw/zinc/64/88/52/573648852.db2.gz PULIFEFTNBAOHE-UHFFFAOYSA-N 0 0 195.649 2.533 10 0 AFAERN C[C@@H]1c2ccccc2C=CC[C@H]1O 238465819 573648881 /nfs/dbraw/zinc/64/88/81/573648881.db2.gz NMJKDXOWVOCRFR-BXKDBHETSA-N 0 0 174.243 2.568 10 0 AFAERN Cc1cc([C@H](O)[C@H]2C[C@@H]2C)cs1 83807506 573648936 /nfs/dbraw/zinc/64/89/36/573648936.db2.gz CLNITTYZYRQUDL-JUWDTYFHSA-N 0 0 182.288 2.746 10 0 AFAERN Cc1cccc(C(=O)[C@@H]2C[C@@H]2C)c1 83807314 573648947 /nfs/dbraw/zinc/64/89/47/573648947.db2.gz FRCBZTSQKMNEDN-GXSJLCMTSA-N 0 0 174.243 2.834 10 0 AFAERN Cc1cc(F)ccc1[C@H](O)[C@H]1C[C@@H]1C 83807482 573648965 /nfs/dbraw/zinc/64/89/65/573648965.db2.gz CBVNLVIHUXIDDB-UWJYBYFXSA-N 0 0 194.249 2.824 10 0 AFAERN C[C@H]1CCC[C@]12CCCC2=O 238466595 573649112 /nfs/dbraw/zinc/64/91/12/573649112.db2.gz KXNAUVMIQDMJNF-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cc(C)cc([C@H](O)[C@@H]2C[C@@H]2C)c1 83807972 573649113 /nfs/dbraw/zinc/64/91/13/573649113.db2.gz XJLDLFMPLWCKFA-UHTWSYAYSA-N 0 0 190.286 2.993 10 0 AFAERN CN[C@@H](C)C(F)(F)CC1CCCC1 257840820 573649118 /nfs/dbraw/zinc/64/91/18/573649118.db2.gz MCDYTSQNHYRALT-QMMMGPOBSA-N 0 0 191.265 2.810 10 0 AFAERN Cc1cc(C)cc([C@H](O)[C@H]2C[C@@H]2C)c1 83807974 573649172 /nfs/dbraw/zinc/64/91/72/573649172.db2.gz XJLDLFMPLWCKFA-DRZSPHRISA-N 0 0 190.286 2.993 10 0 AFAERN C[C@H]1CC(=O)[C@H](C)c2ccccc21 238457920 573649191 /nfs/dbraw/zinc/64/91/91/573649191.db2.gz HIGDFXWBJGQPGT-DTWKUNHWSA-N 0 0 174.243 2.866 10 0 AFAERN CCc1ccccc1C(C)(C)CO 257840010 573649228 /nfs/dbraw/zinc/64/92/28/573649228.db2.gz NKAVNETXJWYGGA-UHFFFAOYSA-N 0 0 178.275 2.519 10 0 AFAERN CC1(C)CCCC[C@@]12CC(=O)CCO2 86850131 573649232 /nfs/dbraw/zinc/64/92/32/573649232.db2.gz IMIAUMYZFZYEET-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN Cc1ccsc1NC(C)C 107720083 573649239 /nfs/dbraw/zinc/64/92/39/573649239.db2.gz BADLYCSQKMWFOH-UHFFFAOYSA-N 0 0 155.266 2.877 10 0 AFAERN Cc1cc([C@H](O)[C@@H]2C[C@@H]2C)cs1 83807504 573649264 /nfs/dbraw/zinc/64/92/64/573649264.db2.gz CLNITTYZYRQUDL-QUNWWBBNSA-N 0 0 182.288 2.746 10 0 AFAERN C[C@H](O)[C@@H]1CCCCC1(C)C 86849565 573649325 /nfs/dbraw/zinc/64/93/25/573649325.db2.gz JDSNDLQXBUEWQA-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cccc([C@H](O)[C@H]2C[C@@H]2C)c1C 83807574 573649384 /nfs/dbraw/zinc/64/93/84/573649384.db2.gz RBMRAKALASDXNO-XDTLVQLUSA-N 0 0 190.286 2.993 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)c1c(F)cccc1F 83807802 573651449 /nfs/dbraw/zinc/65/14/49/573651449.db2.gz GYAKQKLCTOMNOZ-BUYFANAVSA-N 0 0 198.212 2.654 10 0 AFAERN CC(=O)c1sc([C@H]2C[C@@H]2C)nc1C 83809702 573651455 /nfs/dbraw/zinc/65/14/55/573651455.db2.gz PEIFAWZRJZTGTR-XNCJUZBTSA-N 0 0 195.287 2.778 10 0 AFAERN CN[C@H](C)C(F)(F)CC1CCCC1 257840819 573651470 /nfs/dbraw/zinc/65/14/70/573651470.db2.gz MCDYTSQNHYRALT-MRVPVSSYSA-N 0 0 191.265 2.810 10 0 AFAERN CC(C)[C@]1(O)CCCCC1(C)C 86848998 573651487 /nfs/dbraw/zinc/65/14/87/573651487.db2.gz WWUKLOYLZVFLOJ-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccc(-n2nccc2Cl)c1 96868776 573651495 /nfs/dbraw/zinc/65/14/95/573651495.db2.gz SINFIQJGXLLVBP-UHFFFAOYSA-N 0 0 192.649 2.834 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)c1c(F)cccc1F 83807807 573651504 /nfs/dbraw/zinc/65/15/04/573651504.db2.gz GYAKQKLCTOMNOZ-AMXGMDGSSA-N 0 0 198.212 2.654 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)CC1CCCC1 83807364 573651539 /nfs/dbraw/zinc/65/15/39/573651539.db2.gz WTXDBJTVHKHLGG-DVVUODLYSA-N 0 0 168.280 2.584 10 0 AFAERN CC(C)(C)CNc1ccc(CO)cc1 107797851 573651557 /nfs/dbraw/zinc/65/15/57/573651557.db2.gz GMFIQBDOCCWBSD-UHFFFAOYSA-N 0 0 193.290 2.637 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)c1ccccc1F 83807616 573651620 /nfs/dbraw/zinc/65/16/20/573651620.db2.gz JNQHIGHRPIXPMY-POZPLHJXSA-N 0 0 180.222 2.515 10 0 AFAERN Cc1cc([C@H](O)[C@H]2C[C@@H]2C)ccc1F 83807778 573651666 /nfs/dbraw/zinc/65/16/66/573651666.db2.gz ASADPOIDKKTVOO-JWYUURKGSA-N 0 0 194.249 2.824 10 0 AFAERN Cc1ccccc1[C@H](O)[C@H]1C[C@@H]1C 83807442 573651723 /nfs/dbraw/zinc/65/17/23/573651723.db2.gz QRAJGBGWROKHQV-DLOVCJGASA-N 0 0 176.259 2.684 10 0 AFAERN C[C@@H](C1CC2(CCC2)C1)[C@@H](C)O 717520658 573651795 /nfs/dbraw/zinc/65/17/95/573651795.db2.gz BENSPYIKDZUVII-RKDXNWHRSA-N 0 0 168.280 2.584 10 0 AFAERN CC(=O)c1sc([C@@H]2C[C@H]2C)nc1C 83809703 573651827 /nfs/dbraw/zinc/65/18/27/573651827.db2.gz PEIFAWZRJZTGTR-SVGQVSJJSA-N 0 0 195.287 2.778 10 0 AFAERN Cc1nc([C@@H]2C[C@@H]2C)sc1[C@@H](C)O 83809929 573651866 /nfs/dbraw/zinc/65/18/66/573651866.db2.gz UFUSIOLFSUGLOV-UIISKDMLSA-N 0 0 197.303 2.628 10 0 AFAERN CC[C@]1(c2ccccc2C)C[C@H]1CO 257839789 573651894 /nfs/dbraw/zinc/65/18/94/573651894.db2.gz LSNPORKNRIDVKN-AAEUAGOBSA-N 0 0 190.286 2.655 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)c1cccc(F)c1 83807696 573651907 /nfs/dbraw/zinc/65/19/07/573651907.db2.gz BFFGACYVGCKAFS-PPKCKEKNSA-N 0 0 180.222 2.515 10 0 AFAERN Cc1scnc1-c1ccccc1N 257840796 573651934 /nfs/dbraw/zinc/65/19/34/573651934.db2.gz MBDWYLJSWKYIOV-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@@H](O)[C@H](C)C1CC2(CCC2)C1 717520652 573651949 /nfs/dbraw/zinc/65/19/49/573651949.db2.gz BENSPYIKDZUVII-DTWKUNHWSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1[C@H](O)CC[C@H]1c1ccccc1 238466550 573651959 /nfs/dbraw/zinc/65/19/59/573651959.db2.gz ZTUWIHVOPRGTNS-YUSALJHKSA-N 0 0 176.259 2.561 10 0 AFAERN CC(C)n1ncc(N)c1C1CCCC1 257840336 573652009 /nfs/dbraw/zinc/65/20/09/573652009.db2.gz LYKCJXKVVJKYRD-UHFFFAOYSA-N 0 0 193.294 2.704 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)C1CCCCC1 83807430 573652030 /nfs/dbraw/zinc/65/20/30/573652030.db2.gz MCXIMZILCUQXJA-FBIMIBRVSA-N 0 0 168.280 2.584 10 0 AFAERN CS[C@H](C)Cc1ccccc1N 259543305 573652035 /nfs/dbraw/zinc/65/20/35/573652035.db2.gz BZKXIQCEAKCGFC-MRVPVSSYSA-N 0 0 181.304 2.563 10 0 AFAERN C[C@H]1CC[C@@H](O)c2c(F)ccc(F)c21 96868498 573652047 /nfs/dbraw/zinc/65/20/47/573652047.db2.gz NMCXLPZZVMUXCS-IMTBSYHQSA-N 0 0 198.212 2.896 10 0 AFAERN C[C@]1(CC2CCCCC2)C[C@H]1CO 689816625 573652087 /nfs/dbraw/zinc/65/20/87/573652087.db2.gz CPDQVTQZBVQMQH-RYUDHWBXSA-N 0 0 182.307 2.975 10 0 AFAERN C[C@H]1CC[C@H](O)c2c(F)ccc(F)c21 96868496 573652189 /nfs/dbraw/zinc/65/21/89/573652189.db2.gz NMCXLPZZVMUXCS-RCOVLWMOSA-N 0 0 198.212 2.896 10 0 AFAERN CCC/C=C/COC(=O)C(C)(C)C 308410395 573653552 /nfs/dbraw/zinc/65/35/52/573653552.db2.gz OAZFXDTYAJDCFR-BQYQJAHWSA-N 0 0 184.279 2.932 10 0 AFAERN C[C@@H]1C[C@@H](C2=CCCCC2)C1=O 238466759 573653561 /nfs/dbraw/zinc/65/35/61/573653561.db2.gz KOBZWQIJYBEZME-SCZZXKLOSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1CC[C@H](O)c2c(F)ccc(F)c21 96868495 573652984 /nfs/dbraw/zinc/65/29/84/573652984.db2.gz NMCXLPZZVMUXCS-MUWHJKNJSA-N 0 0 198.212 2.896 10 0 AFAERN Fc1ccccc1-n1nccc1Cl 96868735 573653072 /nfs/dbraw/zinc/65/30/72/573653072.db2.gz IAJYVCCILVYVAE-UHFFFAOYSA-N 0 0 196.612 2.665 10 0 AFAERN C[C@H]1CC=C[C@@H](C)[C@]12CCC(=O)C2 238471224 573653158 /nfs/dbraw/zinc/65/31/58/573653158.db2.gz CNERSAZYIMHIIZ-JFGNBEQYSA-N 0 0 178.275 2.958 10 0 AFAERN CCC/C=C\COC(=O)C(C)(C)C 308410401 573653234 /nfs/dbraw/zinc/65/32/34/573653234.db2.gz OAZFXDTYAJDCFR-FPLPWBNLSA-N 0 0 184.279 2.932 10 0 AFAERN Fc1ccc(-n2nccc2Cl)cc1 96868762 573653282 /nfs/dbraw/zinc/65/32/82/573653282.db2.gz BYGCEDWBUHIMSD-UHFFFAOYSA-N 0 0 196.612 2.665 10 0 AFAERN CC(=O)c1c[nH]nc1C1CCCCC1 257841275 573653315 /nfs/dbraw/zinc/65/33/15/573653315.db2.gz MFVWMTIVNUKCAA-UHFFFAOYSA-N 0 0 192.262 2.660 10 0 AFAERN CC1=C(C)[C@@H](C)[C@H](C)C(=O)C1 238458529 573653338 /nfs/dbraw/zinc/65/33/38/573653338.db2.gz BRENVDJRYXJNGL-BDAKNGLRSA-N 0 0 152.237 2.568 10 0 AFAERN CCCc1ncc(Cl)n1CC 258414883 573653381 /nfs/dbraw/zinc/65/33/81/573653381.db2.gz CEDMGEJXXXBYLJ-UHFFFAOYSA-N 0 0 172.659 2.509 10 0 AFAERN Cc1cccc2occ(C[C@@H](C)O)c12 257841813 573653405 /nfs/dbraw/zinc/65/34/05/573653405.db2.gz CAJAVVOZTLMOGB-SECBINFHSA-N 0 0 190.242 2.665 10 0 AFAERN CC(C)(C)Cc1ccc(O)c(N)c1 259543267 573653442 /nfs/dbraw/zinc/65/34/42/573653442.db2.gz BYPBNFSENIRKGD-UHFFFAOYSA-N 0 0 179.263 2.563 10 0 AFAERN CC(C)CNc1ccc([C@@H](C)O)cc1 107802288 573653449 /nfs/dbraw/zinc/65/34/49/573653449.db2.gz SARFMKFZPYZTPS-SNVBAGLBSA-N 0 0 193.290 2.808 10 0 AFAERN Cc1ccc(C)c2c(=O)ccsc12 238458412 573653495 /nfs/dbraw/zinc/65/34/95/573653495.db2.gz BRVJHPXIHZVILJ-UHFFFAOYSA-N 0 0 190.267 2.878 10 0 AFAERN Cc1cc(C)c(F)c(C(C)(C)CO)c1 258083393 573655007 /nfs/dbraw/zinc/65/50/07/573655007.db2.gz NIYMAAZVWZIYAS-UHFFFAOYSA-N 0 0 196.265 2.712 10 0 AFAERN COc1c(C=O)ccc(C(C)C)c1F 257841739 573655031 /nfs/dbraw/zinc/65/50/31/573655031.db2.gz MKQRMGBBKBHGSU-UHFFFAOYSA-N 0 0 196.221 2.770 10 0 AFAERN C[C@@H]1CC[C@@H](O)c2c(F)ccc(F)c21 96868497 573655061 /nfs/dbraw/zinc/65/50/61/573655061.db2.gz NMCXLPZZVMUXCS-HZGVNTEJSA-N 0 0 198.212 2.896 10 0 AFAERN Cc1ccc(C)c2c1CCC=C[C@H]2O 238457985 573655280 /nfs/dbraw/zinc/65/52/80/573655280.db2.gz WVXSLHBAZNIFSM-GFCCVEGCSA-N 0 0 188.270 2.839 10 0 AFAERN C[C@H]1CC(=O)[C@H]2CC[C@@H]3CCC[C@@]132 238458521 573655302 /nfs/dbraw/zinc/65/53/02/573655302.db2.gz BNRUSIFBENLXEB-UXCLJVHYSA-N 0 0 178.275 2.792 10 0 AFAERN CCc1ccc(C)c(C2(O)CC2)c1 258082378 573655334 /nfs/dbraw/zinc/65/53/34/573655334.db2.gz VUOKLFHEPZEYMW-UHFFFAOYSA-N 0 0 176.259 2.539 10 0 AFAERN Cn1[nH]c(=O)cc1C1CCCCCC1 257841272 573655435 /nfs/dbraw/zinc/65/54/35/573655435.db2.gz MFRFGOSQRWZMDI-UHFFFAOYSA-N 0 0 194.278 2.564 10 0 AFAERN Cc1ccc(Oc2cnn(C)c2)s1 258505749 573657159 /nfs/dbraw/zinc/65/71/59/573657159.db2.gz MJWPAVZCSWPOCC-UHFFFAOYSA-N 0 0 194.259 2.582 10 0 AFAERN C[C@H](CO)c1cccc(Cl)c1F 258083457 573657892 /nfs/dbraw/zinc/65/78/92/573657892.db2.gz NLHIDKJNKLJQMW-ZCFIWIBFSA-N 0 0 188.629 2.575 10 0 AFAERN CC(C)c1ccccc1C1(CO)CC1 257841775 573657263 /nfs/dbraw/zinc/65/72/63/573657263.db2.gz OLWUDVMZXZILAR-UHFFFAOYSA-N 0 0 190.286 2.834 10 0 AFAERN C[C@H]1CCC[C@H](CC(C)(C)C(N)=O)C1 238458770 573657292 /nfs/dbraw/zinc/65/72/92/573657292.db2.gz XFWCLJIHDCRDCX-UWVGGRQHSA-N 0 0 197.322 2.714 10 0 AFAERN C/C(=C\[C@H]1CC=CCC1)[C@H](C)O 144618561 573657700 /nfs/dbraw/zinc/65/77/00/573657700.db2.gz IYNVIIDIJZFJDX-WRSFFWLLSA-N 0 0 166.264 2.670 10 0 AFAERN Cc1nc(N)oc1CCC1CCCC1 258850725 573657718 /nfs/dbraw/zinc/65/77/18/573657718.db2.gz QKMDCQUKZBJSFB-UHFFFAOYSA-N 0 0 194.278 2.688 10 0 AFAERN C/C(=C\[C@@H]1CC=CCC1)[C@@H](C)O 144618762 573657824 /nfs/dbraw/zinc/65/78/24/573657824.db2.gz IYNVIIDIJZFJDX-WUNNSPOASA-N 0 0 166.264 2.670 10 0 AFAERN CCC(=O)c1ccc2cc[nH]c2c1 107839560 573657831 /nfs/dbraw/zinc/65/78/31/573657831.db2.gz NCFUZQQUKJDUGN-UHFFFAOYSA-N 0 0 173.215 2.761 10 0 AFAERN C[C@]12CC[C@@H]3C=CC[C@@]31CCC2=O 238472853 573658868 /nfs/dbraw/zinc/65/88/68/573658868.db2.gz GBYLJOJAYDOGLT-MVWJERBFSA-N 0 0 176.259 2.712 10 0 AFAERN CC[C@@H](C)CNc1nc(C)cnc1C 83812955 573658869 /nfs/dbraw/zinc/65/88/69/573658869.db2.gz HVCACFLBCDJKAH-MRVPVSSYSA-N 0 0 193.294 2.551 10 0 AFAERN Cc1ccc(C)c2c1[C@@H]1C=C[C@H]2N1 238472590 573658235 /nfs/dbraw/zinc/65/82/35/573658235.db2.gz UBBUABVCJMYPFY-AOOOYVTPSA-N 0 0 171.243 2.559 10 0 AFAERN Cc1ccc(-c2c[nH]c(N)c2)cc1 258082150 573658260 /nfs/dbraw/zinc/65/82/60/573658260.db2.gz ILANZMZAMQTGLC-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CC(C)CCn1ccc(C2CC2)n1 393546406 573658374 /nfs/dbraw/zinc/65/83/74/573658374.db2.gz HCAQEPOAOKCWTG-UHFFFAOYSA-N 0 0 178.279 2.807 10 0 AFAERN C[C@@]12C=CC[C@@H](C1=O)[C@@H]1CCC[C@@H]12 238471402 573658377 /nfs/dbraw/zinc/65/83/77/573658377.db2.gz JYFNRDJWHTWRFA-WYFGTUCQSA-N 0 0 176.259 2.568 10 0 AFAERN C[C@H](O)c1cc2cc(F)ccc2o1 83815412 573658388 /nfs/dbraw/zinc/65/83/88/573658388.db2.gz GXGZWCZPIKOSPA-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN Cc1ccc(C)c2oc(CO)cc12 83815484 573658460 /nfs/dbraw/zinc/65/84/60/573658460.db2.gz GUFMHTBUAWZCAD-UHFFFAOYSA-N 0 0 176.215 2.542 10 0 AFAERN CCCc1ccc2oc(CO)cc2c1 83819844 573658532 /nfs/dbraw/zinc/65/85/32/573658532.db2.gz SQBQOPZMTWMCNT-UHFFFAOYSA-N 0 0 190.242 2.878 10 0 AFAERN CC1=C[C@@H]2C(=O)C[C@H](C)C[C@@H]2C1 238472259 573658539 /nfs/dbraw/zinc/65/85/39/573658539.db2.gz VZXYCVOQUDYFGS-UTLUCORTSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)(C)[C@@]1(O)CCCC1(C)C 86867106 573658544 /nfs/dbraw/zinc/65/85/44/573658544.db2.gz OJCLAWRNBOOIJL-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C[C@@H]2CCCC(=O)[C@@H]2[C@@H]1C 238472584 573658547 /nfs/dbraw/zinc/65/85/47/573658547.db2.gz PZLZKLWSFMGTDC-SDNRWEOFSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H](C(F)F)C1CCC(=O)CC1 144582046 573658566 /nfs/dbraw/zinc/65/85/66/573658566.db2.gz QBVDZELAXYPSEN-LURJTMIESA-N 0 0 176.206 2.647 10 0 AFAERN C[C@@H](O)c1cc2c(F)cc(F)cc2o1 83819891 573658577 /nfs/dbraw/zinc/65/85/77/573658577.db2.gz CCJQOVVOFYYZJM-RXMQYKEDSA-N 0 0 198.168 2.764 10 0 AFAERN Cc1cc(Cl)c(C)c(CCCO)c1 258081684 573658626 /nfs/dbraw/zinc/65/86/26/573658626.db2.gz IYCFYJSXSRQZLR-UHFFFAOYSA-N 0 0 198.693 2.882 10 0 AFAERN Cc1ccc(CO)c2ccsc12 238472928 573658673 /nfs/dbraw/zinc/65/86/73/573658673.db2.gz ZTPUUACSKXZRJZ-UHFFFAOYSA-N 0 0 178.256 2.702 10 0 AFAERN CC(C)C[C@]1(O)CCCC1(C)C 86867250 573658743 /nfs/dbraw/zinc/65/87/43/573658743.db2.gz CXAQJMLFQDXBJZ-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(C)c2cc(CO)oc2c1C 83815464 573658799 /nfs/dbraw/zinc/65/87/99/573658799.db2.gz ZAQWCXWGKWBQLQ-UHFFFAOYSA-N 0 0 190.242 2.850 10 0 AFAERN Cc1cc(N)n([C@@H]2CCCC2(C)C)n1 86865472 573658803 /nfs/dbraw/zinc/65/88/03/573658803.db2.gz MNHVYOYLQKQWSI-SECBINFHSA-N 0 0 193.294 2.525 10 0 AFAERN OC[C@@H]1CC[C@H]1c1ccccc1Cl 257842793 573658827 /nfs/dbraw/zinc/65/88/27/573658827.db2.gz MSHXTSOYCOQJDY-DTWKUNHWSA-N 0 0 196.677 2.826 10 0 AFAERN CC(C)[C@@H](CCO)c1cccc(O)c1 257842949 573659002 /nfs/dbraw/zinc/65/90/02/573659002.db2.gz CEXIJAXAJWHZTH-GFCCVEGCSA-N 0 0 194.274 2.514 10 0 AFAERN Cc1ccc(F)c2oc(C=O)cc12 83815322 573659004 /nfs/dbraw/zinc/65/90/04/573659004.db2.gz GIJYOEFZIISOHU-UHFFFAOYSA-N 0 0 178.162 2.693 10 0 AFAERN CCC[C@@]1(O)CCCC1(C)C 86867293 573659005 /nfs/dbraw/zinc/65/90/05/573659005.db2.gz FQFQWOFOQBAASY-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1ncccc1Nc1cccc(N)c1 308814919 573659051 /nfs/dbraw/zinc/65/90/51/573659051.db2.gz AUXMVJCDSGLBBU-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cc1cnn([C@@H]2CCCC2(C)C)c1N 86865470 573659136 /nfs/dbraw/zinc/65/91/36/573659136.db2.gz LOSKASQGYJKPNF-SECBINFHSA-N 0 0 193.294 2.525 10 0 AFAERN C[C@H](O)Cc1cccc(C2CCC2)c1 258083429 573659168 /nfs/dbraw/zinc/65/91/68/573659168.db2.gz NKSHQNQURGMSAB-JTQLQIEISA-N 0 0 190.286 2.877 10 0 AFAERN Cc1cc(C)c2cc(C=O)oc2c1 83815168 573659205 /nfs/dbraw/zinc/65/92/05/573659205.db2.gz XPPFZEDEDPSZFX-UHFFFAOYSA-N 0 0 174.199 2.862 10 0 AFAERN Cc1ccc2cc(CO)oc2c1C 83815496 573659240 /nfs/dbraw/zinc/65/92/40/573659240.db2.gz UFEWNRBLATUGNJ-UHFFFAOYSA-N 0 0 176.215 2.542 10 0 AFAERN Cc1cccc2cc([C@H](C)O)oc12 83815376 573659295 /nfs/dbraw/zinc/65/92/95/573659295.db2.gz OWFFDRTWTSFIAR-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN CC[C@H](C)CNc1nc(C)cnc1C 83812957 573659302 /nfs/dbraw/zinc/65/93/02/573659302.db2.gz HVCACFLBCDJKAH-QMMMGPOBSA-N 0 0 193.294 2.551 10 0 AFAERN O=Cc1nc(C2CCCCCC2)c[nH]1 257842831 573659333 /nfs/dbraw/zinc/65/93/33/573659333.db2.gz MUKUGEJVCJOERD-UHFFFAOYSA-N 0 0 192.262 2.660 10 0 AFAERN C[C@@H](O)c1cc2cccc(F)c2o1 83815341 573659382 /nfs/dbraw/zinc/65/93/82/573659382.db2.gz KQARVQKDEAZPJP-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN CC[C@@H](C)[C@@]1(O)CCCC1(C)C 86867402 573659391 /nfs/dbraw/zinc/65/93/91/573659391.db2.gz DPITUMCOMUAMRB-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)CCC[C@H]1Nn1cccc1 86865439 573659430 /nfs/dbraw/zinc/65/94/30/573659430.db2.gz OJAJLLHXBWGTCR-SNVBAGLBSA-N 0 0 178.279 2.610 10 0 AFAERN CC1(C)CCC[C@]1(O)c1ccoc1 86867124 573659443 /nfs/dbraw/zinc/65/94/43/573659443.db2.gz RENOEWDYKSERPC-NSHDSACASA-N 0 0 180.247 2.677 10 0 AFAERN C[C@@H](c1ccc(O)cc1)C(F)F 144582445 573659495 /nfs/dbraw/zinc/65/94/95/573659495.db2.gz AQINPNJWTHOXLL-LURJTMIESA-N 0 0 172.174 2.761 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCCC1(C)C 86867403 573659505 /nfs/dbraw/zinc/65/95/05/573659505.db2.gz DPITUMCOMUAMRB-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(C)c2cc(CO)oc2c1 83815428 573659599 /nfs/dbraw/zinc/65/95/99/573659599.db2.gz HUQLIRKLRQRBRJ-UHFFFAOYSA-N 0 0 176.215 2.542 10 0 AFAERN C[C@@]1(c2ccccc2)CC(F)(F)CN1 257843709 573659660 /nfs/dbraw/zinc/65/96/60/573659660.db2.gz CNMIDJNJXWUKCR-JTQLQIEISA-N 0 0 197.228 2.530 10 0 AFAERN CC(C)[C@H](CCO)c1cccc(O)c1 257842950 573659711 /nfs/dbraw/zinc/65/97/11/573659711.db2.gz CEXIJAXAJWHZTH-LBPRGKRZSA-N 0 0 194.274 2.514 10 0 AFAERN Oc1cccc(-c2coc(Cl)n2)c1 257843329 573659721 /nfs/dbraw/zinc/65/97/21/573659721.db2.gz MXFYZJYSPKLULL-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN CC1(C)CCC[C@@H]1Nn1cccc1 86865438 573662621 /nfs/dbraw/zinc/66/26/21/573662621.db2.gz OJAJLLHXBWGTCR-JTQLQIEISA-N 0 0 178.279 2.610 10 0 AFAERN C[C@@H]1C[C@@H]2CC=CC[C@@]2(C)C1=O 238472317 573662624 /nfs/dbraw/zinc/66/26/24/573662624.db2.gz BBVGCPYJWHHTRT-WCABBAIRSA-N 0 0 164.248 2.568 10 0 AFAERN C/C(=C\[C@H]1CC=CCC1)[C@@H](C)O 144618379 573662698 /nfs/dbraw/zinc/66/26/98/573662698.db2.gz IYNVIIDIJZFJDX-OJLMFNQTSA-N 0 0 166.264 2.670 10 0 AFAERN C[C@H]1C=C(C2=CCCCC2)OC1=O 238472990 573663523 /nfs/dbraw/zinc/66/35/23/573663523.db2.gz WTPQGWRILGQJBM-QMMMGPOBSA-N 0 0 178.231 2.564 10 0 AFAERN C[C@]12CCC[C@@H]3C[C@@]31CCC(=O)C2 238472148 573662775 /nfs/dbraw/zinc/66/27/75/573662775.db2.gz KSSSVQXBGWVAOW-JLLWLGSASA-N 0 0 178.275 2.936 10 0 AFAERN Cc1ccc2c(c1)[C@@H]([C@@H](C)CO)CC2 257842223 573662798 /nfs/dbraw/zinc/66/27/98/573662798.db2.gz MQPZCSOBEBVSGT-CMPLNLGQSA-N 0 0 190.286 2.653 10 0 AFAERN C[C@@]12CC=C[C@@H](C1=O)[C@@H]1CCC[C@@H]12 238471811 573662848 /nfs/dbraw/zinc/66/28/48/573662848.db2.gz CVNFSYXSRCGQFC-WYFGTUCQSA-N 0 0 176.259 2.568 10 0 AFAERN CC(C)=C[C@]1(O)CCCC1(C)C 86867450 573662901 /nfs/dbraw/zinc/66/29/01/573662901.db2.gz SLFHNEBVSMDZGZ-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1ccnc(-c2cccc(O)c2)c1 144582719 573662987 /nfs/dbraw/zinc/66/29/87/573662987.db2.gz OTWSNFSGLCTHFM-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN C[C@@H](O)c1cc2ccc(F)c(F)c2o1 83819916 573663047 /nfs/dbraw/zinc/66/30/47/573663047.db2.gz QVDQCMAJLJYLHD-RXMQYKEDSA-N 0 0 198.168 2.764 10 0 AFAERN OC[C@H]1CC[C@H]1c1ccccc1Cl 257842795 573663089 /nfs/dbraw/zinc/66/30/89/573663089.db2.gz MSHXTSOYCOQJDY-RKDXNWHRSA-N 0 0 196.677 2.826 10 0 AFAERN Cc1cnn([C@H]2CCCC2(C)C)c1N 86865471 573663146 /nfs/dbraw/zinc/66/31/46/573663146.db2.gz LOSKASQGYJKPNF-VIFPVBQESA-N 0 0 193.294 2.525 10 0 AFAERN CCCc1cccc(=S)[nH]1 144515727 573663173 /nfs/dbraw/zinc/66/31/73/573663173.db2.gz WJNQGIVNAAMWIP-UHFFFAOYSA-N 0 0 153.250 2.697 10 0 AFAERN C[C@H](O)c1cc2cc(F)cc(F)c2o1 83815469 573663270 /nfs/dbraw/zinc/66/32/70/573663270.db2.gz XGEYDEFVBYNXJM-YFKPBYRVSA-N 0 0 198.168 2.764 10 0 AFAERN C[C@@H](C(F)F)C1CCC(=O)CC1 144582237 573663311 /nfs/dbraw/zinc/66/33/11/573663311.db2.gz QBVDZELAXYPSEN-ZCFIWIBFSA-N 0 0 176.206 2.647 10 0 AFAERN OCc1cc2cccc(Cl)c2o1 83815405 573663329 /nfs/dbraw/zinc/66/33/29/573663329.db2.gz CJTLPWCKSYFEMM-UHFFFAOYSA-N 0 0 182.606 2.579 10 0 AFAERN C[C@H]1C(=O)c2ccccc2C12CC2 238472174 573662591 /nfs/dbraw/zinc/66/25/91/573662591.db2.gz LGCQDQLIIGXDHB-QMMMGPOBSA-N 0 0 172.227 2.551 10 0 AFAERN Cc1cc(N)cc2c(C3CC3)c[nH]c12 238475099 573665103 /nfs/dbraw/zinc/66/51/03/573665103.db2.gz ZDWSHUOWAFOTHY-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN Cc1cc(-c2c[nH]c(=S)[nH]2)c(C)o1 83824305 573665121 /nfs/dbraw/zinc/66/51/21/573665121.db2.gz RYTMTCZSKWETLL-UHFFFAOYSA-N 0 0 194.259 2.949 10 0 AFAERN C[C@H](F)c1cc([C@@H](C)CO)ccc1O 258084286 573665176 /nfs/dbraw/zinc/66/51/76/573665176.db2.gz JBIXMOGOUDUDFG-YUMQZZPRSA-N 0 0 198.237 2.519 10 0 AFAERN C[C@](F)(CO)c1cccc(Cl)c1 257843809 573665178 /nfs/dbraw/zinc/66/51/78/573665178.db2.gz PFYMDKJECIZFQX-VIFPVBQESA-N 0 0 188.629 2.517 10 0 AFAERN CSc1cccc(C(C)(C)CO)c1 257844553 573665197 /nfs/dbraw/zinc/66/51/97/573665197.db2.gz PNZIXMIXOONOIM-UHFFFAOYSA-N 0 0 196.315 2.678 10 0 AFAERN C[C@H]1COc2ccc(N)c3cccc1c23 238489285 573665294 /nfs/dbraw/zinc/66/52/94/573665294.db2.gz PDJCAHJLEMFQEP-QMMMGPOBSA-N 0 0 199.253 2.918 10 0 AFAERN Cc1ncc(Cl)c(C(F)F)c1N 238475313 573665301 /nfs/dbraw/zinc/66/53/01/573665301.db2.gz HZSLZSAVIURALW-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C/C(Br)=C/NC(C)(C)C 238475305 573665320 /nfs/dbraw/zinc/66/53/20/573665320.db2.gz IIYTYCOBFKACEC-WAYWQWQTSA-N 0 0 192.100 2.631 10 0 AFAERN C[C@@H]1CC[C@@H](CNc2ccccc2)O1 83823793 573665384 /nfs/dbraw/zinc/66/53/84/573665384.db2.gz JFFOIJMSBUWYFT-PWSUYJOCSA-N 0 0 191.274 2.666 10 0 AFAERN CN[C@]1(C(F)(F)F)CCCC1(C)C 86869152 573667053 /nfs/dbraw/zinc/66/70/53/573667053.db2.gz NZFADGIAJBCCKK-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN COC(=O)[C@@H]1C[C@@H]2CC[C@H](C)C[C@@H]2C1 259617138 573665623 /nfs/dbraw/zinc/66/56/23/573665623.db2.gz NFGFBHHKRALWRO-UKKRHICBSA-N 0 0 196.290 2.622 10 0 AFAERN CC(=O)c1ccccc1[C@@H]1C[C@@H]1CF 259545876 573665634 /nfs/dbraw/zinc/66/56/34/573665634.db2.gz CDBCVECJKMUQRS-BXKDBHETSA-N 0 0 192.233 2.962 10 0 AFAERN CCN(C)c1cc(C)c(Cl)cc1N 258862768 573665687 /nfs/dbraw/zinc/66/56/87/573665687.db2.gz SXCBKKVCFUYMHA-UHFFFAOYSA-N 0 0 198.697 2.687 10 0 AFAERN CC[C@@H]1Cc2cc(C=O)sc2C1 144505056 573665694 /nfs/dbraw/zinc/66/56/94/573665694.db2.gz GMXGJMCXYQGWEU-SSDOTTSWSA-N 0 0 180.272 2.685 10 0 AFAERN CC(C)[C@@H](O)[C@@H]1CCCC1(C)C 86869449 573665738 /nfs/dbraw/zinc/66/57/38/573665738.db2.gz YFBINBQGDDNPMS-VHSXEESVSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@]12C[C@@]1(C)C[C@]1(C)C[C@]1(C)C2=O 238475311 573667575 /nfs/dbraw/zinc/66/75/75/573667575.db2.gz OGFXRDKCNBQERQ-DDHJBXDOSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)[C@H](O)[C@@H]1CCCC1(C)C 86869447 573667591 /nfs/dbraw/zinc/66/75/91/573667591.db2.gz YFBINBQGDDNPMS-UWVGGRQHSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1c2ccccc2NC(=O)C[C@H]1C 238474553 573667603 /nfs/dbraw/zinc/66/76/03/573667603.db2.gz TZYFGGWKOJBDGO-BDAKNGLRSA-N 0 0 189.258 2.768 10 0 AFAERN CCc1ccccc1[C@H](C)C(=O)OC 257846617 573667624 /nfs/dbraw/zinc/66/76/24/573667624.db2.gz NUDRAVCXABWKBD-VIFPVBQESA-N 0 0 192.258 2.526 10 0 AFAERN CCC(C)(C)C(=O)COC1CCCC1 308661349 573667632 /nfs/dbraw/zinc/66/76/32/573667632.db2.gz QADHYMPMUSVZBC-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@@H]1CC(=O)C[C@@H](c2ccco2)C1 238474657 573667649 /nfs/dbraw/zinc/66/76/49/573667649.db2.gz XAVHUXMIYUZXCV-IUCAKERBSA-N 0 0 178.231 2.752 10 0 AFAERN Cc1cccc([C@@H](O)CC2CCC2)n1 83840808 573675485 /nfs/dbraw/zinc/67/54/85/573675485.db2.gz WVFRKUHFYKVQGD-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN CSc1ccccc1[C@H](C)CO 257843812 573667090 /nfs/dbraw/zinc/66/70/90/573667090.db2.gz PGFOWJQWBBWAJG-MRVPVSSYSA-N 0 0 182.288 2.504 10 0 AFAERN C[C@@H]1CC(=O)[C@]2(C)CC=CC[C@@H]2C1 238475115 573667223 /nfs/dbraw/zinc/66/72/23/573667223.db2.gz AIFVKHWSPOEFMQ-HOSYDEDBSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@H](O)[C@@H]1CCCC=C1[Si](C)(C)C 238474435 573667269 /nfs/dbraw/zinc/66/72/69/573667269.db2.gz UKKRVBLQHKYOLY-UWVGGRQHSA-N 0 0 198.382 2.971 10 0 AFAERN C[C@H]1CC[C@@H](CNc2ccccc2)O1 83823794 573667273 /nfs/dbraw/zinc/66/72/73/573667273.db2.gz JFFOIJMSBUWYFT-JQWIXIFHSA-N 0 0 191.274 2.666 10 0 AFAERN CC(C)CC[C@@](C)(O)C(F)(F)F 43367934 573667341 /nfs/dbraw/zinc/66/73/41/573667341.db2.gz VSSWBWBEIXFJPX-SSDOTTSWSA-N 0 0 184.201 2.736 10 0 AFAERN CCC(=O)[C@@H]1CCCC1(C)C 86869223 573667365 /nfs/dbraw/zinc/66/73/65/573667365.db2.gz BFFJODOECLDLJB-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)[C@H]1Cc2cc(C=O)sc2C1 144502404 573667390 /nfs/dbraw/zinc/66/73/90/573667390.db2.gz YHUCZDMXOKEWKN-QMMMGPOBSA-N 0 0 194.299 2.931 10 0 AFAERN CCc1ccccc1C(F)(F)CNC 257843804 573667430 /nfs/dbraw/zinc/66/74/30/573667430.db2.gz PFRCPDKQIHLVEA-UHFFFAOYSA-N 0 0 199.244 2.560 10 0 AFAERN Cc1cc(F)ccc1NCCF 83823956 573667444 /nfs/dbraw/zinc/66/74/44/573667444.db2.gz JLOYLXRTUXFKCU-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN C[C@@H]1CC(=O)[C@@H]2CC=CC[C@@H]2C1 238475152 573667480 /nfs/dbraw/zinc/66/74/80/573667480.db2.gz OOPLQVRBYMJKDA-IVZWLZJFSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)c1ccccc1[C@H]1C[C@H]1CF 259545886 573667800 /nfs/dbraw/zinc/66/78/00/573667800.db2.gz CDBCVECJKMUQRS-CABZTGNLSA-N 0 0 192.233 2.962 10 0 AFAERN CC(C)c1ccccc1C(F)(F)CN 257843794 573667831 /nfs/dbraw/zinc/66/78/31/573667831.db2.gz PFIFEPZTNUNZEB-UHFFFAOYSA-N 0 0 199.244 2.861 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)CCN2 83823715 573668102 /nfs/dbraw/zinc/66/81/02/573668102.db2.gz CGYKTWBIQNFJAM-SECBINFHSA-N 0 0 176.263 2.611 10 0 AFAERN COC(=O)[C@@H]1C[C@@H]2CC[C@@H](C)C[C@H]2C1 259617141 573668166 /nfs/dbraw/zinc/66/81/66/573668166.db2.gz NFGFBHHKRALWRO-VPOLOUISSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H]1CCOc2cccc(c2)NC1 238474861 573668212 /nfs/dbraw/zinc/66/82/12/573668212.db2.gz QTMWRQIWFVQYNH-VIFPVBQESA-N 0 0 177.247 2.517 10 0 AFAERN Nc1cc(F)ccc1Cc1ccco1 257844457 573668216 /nfs/dbraw/zinc/66/82/16/573668216.db2.gz NGAOESYJWMZHLU-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)CCN2 83823716 573668248 /nfs/dbraw/zinc/66/82/48/573668248.db2.gz CGYKTWBIQNFJAM-VIFPVBQESA-N 0 0 176.263 2.611 10 0 AFAERN C[C@@H](CO)c1c(F)ccc2ccoc12 258075682 573668256 /nfs/dbraw/zinc/66/82/56/573668256.db2.gz MPTMEXQFUNTHRQ-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN C[C@@H]1CC(=O)[C@@H]2CC[C@@]23CCC[C@@H]13 238474803 573668299 /nfs/dbraw/zinc/66/82/99/573668299.db2.gz OXBYNHBMEDXJMO-FYLLDIAZSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@@H]1CC(=O)Nc2ccccc2[C@@H]1C 238474533 573668355 /nfs/dbraw/zinc/66/83/55/573668355.db2.gz TZYFGGWKOJBDGO-RKDXNWHRSA-N 0 0 189.258 2.768 10 0 AFAERN CC(C)(O)c1cc2c(F)cccc2o1 257844035 573668367 /nfs/dbraw/zinc/66/83/67/573668367.db2.gz CRNNDDIUNYVEDN-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN Cc1nc2sc3c(n2c1C)CCC3 107877275 573668421 /nfs/dbraw/zinc/66/84/21/573668421.db2.gz DSOYICJZDSZEOA-UHFFFAOYSA-N 0 0 192.287 2.501 10 0 AFAERN Cc1cccnc1[C@H](O)CC1CCC1 83840690 573675512 /nfs/dbraw/zinc/67/55/12/573675512.db2.gz JBGFARDSGKLPEO-LLVKDONJSA-N 0 0 191.274 2.614 10 0 AFAERN CC(C)CC[C@H](O)c1cncc(F)c1 43374266 573675515 /nfs/dbraw/zinc/67/55/15/573675515.db2.gz YILALMBUYHPACH-NSHDSACASA-N 0 0 197.253 2.690 10 0 AFAERN CC1=CC[C@H](C)[C@H](C)C(=O)[C@@H]1C 238468542 573675518 /nfs/dbraw/zinc/67/55/18/573675518.db2.gz CPHOOVPZBHDNEM-AEJSXWLSSA-N 0 0 166.264 2.814 10 0 AFAERN CC1=CC[C@H](C)C[C@@H](O)C1(C)C 238468316 573675530 /nfs/dbraw/zinc/67/55/30/573675530.db2.gz LWTJUAWMIBKHJB-WCBMZHEXSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@]1(O)CCCc2cc(Cl)ccc21 257846074 573675545 /nfs/dbraw/zinc/67/55/45/573675545.db2.gz CYUUUPJVBOQGFH-NSHDSACASA-N 0 0 196.677 2.884 10 0 AFAERN C[C@H]1[C@H]2C=C[C@@H]1c1c(N)cccc12 238468320 573675571 /nfs/dbraw/zinc/67/55/71/573675571.db2.gz KWTVNIDCFIFDDF-YIZRAAEISA-N 0 0 171.243 2.656 10 0 AFAERN C[C@H](O)c1c(F)ccc2ccoc12 258078584 573675592 /nfs/dbraw/zinc/67/55/92/573675592.db2.gz VKCQYYBBUNAMAI-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN CC[C@H](F)Cn1ccnc1C(C)C 308412939 573675595 /nfs/dbraw/zinc/67/55/95/573675595.db2.gz MFVCSBVTNGVNHY-VIFPVBQESA-N 0 0 184.258 2.755 10 0 AFAERN O[C@@H](CC1CCC1)c1ccco1 83840760 573675611 /nfs/dbraw/zinc/67/56/11/573675611.db2.gz NGYDVZLFFDBBMO-VIFPVBQESA-N 0 0 166.220 2.503 10 0 AFAERN CC1=CC[C@H](C)CC(=O)[C@@H]1C 238468520 573675621 /nfs/dbraw/zinc/67/56/21/573675621.db2.gz XKKGYEAGRRNMAS-IONNQARKSA-N 0 0 152.237 2.568 10 0 AFAERN OCc1coc2c(Cl)cccc12 257845910 573676183 /nfs/dbraw/zinc/67/61/83/573676183.db2.gz DAWHFKLQNUXZBM-UHFFFAOYSA-N 0 0 182.606 2.579 10 0 AFAERN Cc1c(O)cc(C)c2ncccc12 238468349 573676200 /nfs/dbraw/zinc/67/62/00/573676200.db2.gz UCQZCOOVNIPHCP-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN CC[C@@H](C)COC(=O)C1CC=CC1 393546515 573675654 /nfs/dbraw/zinc/67/56/54/573675654.db2.gz HYLNADDGIGWPGS-SECBINFHSA-N 0 0 182.263 2.542 10 0 AFAERN O=C(CC1CCCC1)OC1CCC1 308413069 573675709 /nfs/dbraw/zinc/67/57/09/573675709.db2.gz PKTJJIMYSDANCL-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN Cc1cc(O)c(C)c2c1CCCC2=O 238468130 573675714 /nfs/dbraw/zinc/67/57/14/573675714.db2.gz LOPYKJRLLSDNFD-UHFFFAOYSA-N 0 0 190.242 2.528 10 0 AFAERN O[C@H](CC1CCC1)c1ccccc1 83840527 573675724 /nfs/dbraw/zinc/67/57/24/573675724.db2.gz SBZXSVBKXJKGGF-GFCCVEGCSA-N 0 0 176.259 2.910 10 0 AFAERN CCCC(CCC)[C@@H](NN)C(C)C 126763763 573675768 /nfs/dbraw/zinc/67/57/68/573675768.db2.gz RGNDURLCNCUNLG-NSHDSACASA-N 0 0 186.343 2.691 10 0 AFAERN CC(C)CC[C@@H](O)c1cncc(F)c1 43374268 573675836 /nfs/dbraw/zinc/67/58/36/573675836.db2.gz YILALMBUYHPACH-LLVKDONJSA-N 0 0 197.253 2.690 10 0 AFAERN CC(C)CCC(=O)c1cncc(F)c1 43374189 573675873 /nfs/dbraw/zinc/67/58/73/573675873.db2.gz XWJBONUHDNJUCH-UHFFFAOYSA-N 0 0 195.237 2.840 10 0 AFAERN CCCC(CCC)[C@H](NN)C(C)C 126763574 573675886 /nfs/dbraw/zinc/67/58/86/573675886.db2.gz RGNDURLCNCUNLG-LLVKDONJSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1c(Cl)ccc2cnoc12 238467980 573675972 /nfs/dbraw/zinc/67/59/72/573675972.db2.gz LANWDGSAUSNAQT-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN O[C@H](CC1CCC1)c1ccco1 83840757 573675989 /nfs/dbraw/zinc/67/59/89/573675989.db2.gz NGYDVZLFFDBBMO-SECBINFHSA-N 0 0 166.220 2.503 10 0 AFAERN CC[C@@H](C)C(=O)CC1CCC1 83840229 573676047 /nfs/dbraw/zinc/67/60/47/573676047.db2.gz YAWSJRIEBWVZKS-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN C=Cc1c(O)cc(C)c2ncccc12 238468590 573676060 /nfs/dbraw/zinc/67/60/60/573676060.db2.gz KMMOKUZNXFPMRA-UHFFFAOYSA-N 0 0 185.226 2.892 10 0 AFAERN O[C@H](Cc1cccs1)CC1CCC1 83840738 573676095 /nfs/dbraw/zinc/67/60/95/573676095.db2.gz YRHXJSISKAWGJM-JTQLQIEISA-N 0 0 196.315 2.842 10 0 AFAERN Cc1cc(O)c(C)c2c1CCCC2 238468248 573676098 /nfs/dbraw/zinc/67/60/98/573676098.db2.gz XZXPAMKSUWJOPI-UHFFFAOYSA-N 0 0 176.259 2.888 10 0 AFAERN CC(C)Sc1ccc(NCO)cc1 258875629 573678583 /nfs/dbraw/zinc/67/85/83/573678583.db2.gz HERCKMDUMPRXLM-UHFFFAOYSA-N 0 0 197.303 2.549 10 0 AFAERN CC1=CC[C@H](C)[C@@]12CCCC2=O 238468700 573678609 /nfs/dbraw/zinc/67/86/09/573678609.db2.gz BOYUFHGPBYTRNG-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@H](O)c1cc(C)c(C)cc1F 107997094 573678637 /nfs/dbraw/zinc/67/86/37/573678637.db2.gz TWPDEHLNLBNWSU-NSHDSACASA-N 0 0 182.238 2.886 10 0 AFAERN C[C@@H]1C=C(c2ccccc2)CC1=O 238469894 573678689 /nfs/dbraw/zinc/67/86/89/573678689.db2.gz XNPCDIVLIBUUTB-SECBINFHSA-N 0 0 172.227 2.679 10 0 AFAERN Nc1cc(F)ccc1OCC1CCC1 83837902 573678779 /nfs/dbraw/zinc/67/87/79/573678779.db2.gz QDVDVFCHGDJEFO-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN O[C@@H](CC1CCC1)C1CCCC1 83840621 573678808 /nfs/dbraw/zinc/67/88/08/573678808.db2.gz XDJYKRQZXHPBJZ-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN O[C@@H](CC1CCC1)c1ccccc1 83840531 573678825 /nfs/dbraw/zinc/67/88/25/573678825.db2.gz SBZXSVBKXJKGGF-LBPRGKRZSA-N 0 0 176.259 2.910 10 0 AFAERN CCC/C=C\COC(=O)CC1CC1 308413634 573678918 /nfs/dbraw/zinc/67/89/18/573678918.db2.gz PTAMHYKYYRMBSH-PLNGDYQASA-N 0 0 182.263 2.686 10 0 AFAERN C=Cc1cccc2c1C[C@@H](C)N2 238468810 573678929 /nfs/dbraw/zinc/67/89/29/573678929.db2.gz MOIUQLWYKYZLJH-MRVPVSSYSA-N 0 0 159.232 2.686 10 0 AFAERN C[C@@H](O)[C@@H](F)c1ccccc1Cl 257845926 573678940 /nfs/dbraw/zinc/67/89/40/573678940.db2.gz NRORATRTUHGUQE-HZGVNTEJSA-N 0 0 188.629 2.731 10 0 AFAERN C[C@@H](O)[C@H](F)c1ccccc1Cl 257845932 573678945 /nfs/dbraw/zinc/67/89/45/573678945.db2.gz NRORATRTUHGUQE-MUWHJKNJSA-N 0 0 188.629 2.731 10 0 AFAERN Nc1cocc1-c1ccccc1 258079562 573679056 /nfs/dbraw/zinc/67/90/56/573679056.db2.gz ICXKCIISGRNYPK-UHFFFAOYSA-N 0 0 159.188 2.529 10 0 AFAERN Cc1cccnc1[C@@H](O)CC1CCC1 83840691 573679084 /nfs/dbraw/zinc/67/90/84/573679084.db2.gz JBGFARDSGKLPEO-NSHDSACASA-N 0 0 191.274 2.614 10 0 AFAERN Cc1cccc(C(=O)CC2CCC2)n1 83840222 573679176 /nfs/dbraw/zinc/67/91/76/573679176.db2.gz VEWFFNZKWWIWLD-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN CC(=O)c1cc(C)cc(C)c1F 108000515 573679181 /nfs/dbraw/zinc/67/91/81/573679181.db2.gz OOMIHXGBSWUGFT-UHFFFAOYSA-N 0 0 166.195 2.645 10 0 AFAERN Nc1cccnc1SCC1CCC1 83839279 573679205 /nfs/dbraw/zinc/67/92/05/573679205.db2.gz ZBWBTEQDAGSPAU-UHFFFAOYSA-N 0 0 194.303 2.556 10 0 AFAERN Oc1ccccc1C1=CCSCC1 257845853 573679236 /nfs/dbraw/zinc/67/92/36/573679236.db2.gz NQCXZTJNGQECHK-UHFFFAOYSA-N 0 0 192.283 2.913 10 0 AFAERN C/C=C\Cc1ccc([C@@H](C)O)cc1 393548046 573681382 /nfs/dbraw/zinc/68/13/82/573681382.db2.gz QFMWSTSSKFAILZ-UMBAGQNISA-N 0 0 176.259 2.859 10 0 AFAERN CC(=O)c1c(F)cc2cc[nH]c2c1F 258090619 573681383 /nfs/dbraw/zinc/68/13/83/573681383.db2.gz NWSTXZXAPIYQIY-UHFFFAOYSA-N 0 0 195.168 2.649 10 0 AFAERN C[C@@H]1C(C(=O)Nc2ccccc2)[C@H]1C 238468996 573681387 /nfs/dbraw/zinc/68/13/87/573681387.db2.gz DKPHELJKGJGBSS-IUCAKERBSA-N 0 0 189.258 2.527 10 0 AFAERN Cc1[nH]c2c(F)ccc(F)c2c1C=O 257846538 573681396 /nfs/dbraw/zinc/68/13/96/573681396.db2.gz NSCGNKPBWCWEIB-UHFFFAOYSA-N 0 0 195.168 2.567 10 0 AFAERN CC(C)c1ccc(O)c([C@H](C)CO)c1 258090907 573681428 /nfs/dbraw/zinc/68/14/28/573681428.db2.gz NZUWNZMRWJIELG-SECBINFHSA-N 0 0 194.274 2.611 10 0 AFAERN C[C@H]1C[C@H](c2ccccc2)C[C@H](O)C1 238469621 573681454 /nfs/dbraw/zinc/68/14/54/573681454.db2.gz GHTMXHMTNFGZAE-WCFLWFBJSA-N 0 0 190.286 2.951 10 0 AFAERN C[C@@H]1C[C@]23CCCC[C@@]2(C)[C@@H]3C1=O 238469186 573681499 /nfs/dbraw/zinc/68/14/99/573681499.db2.gz WXDZPIQMRKARPA-QTKMDUPCSA-N 0 0 178.275 2.792 10 0 AFAERN Cc1c(O)cccc1OCC1CCC1 83839633 573681503 /nfs/dbraw/zinc/68/15/03/573681503.db2.gz CZIJQOMTKXTZEA-UHFFFAOYSA-N 0 0 192.258 2.880 10 0 AFAERN CC(C)CC(=O)c1cc(F)ccc1N 107995285 573681558 /nfs/dbraw/zinc/68/15/58/573681558.db2.gz VNLRPDWKQMAMBR-UHFFFAOYSA-N 0 0 195.237 2.637 10 0 AFAERN Cc1cccc(/C=C2\C[C@@H]2[C@@H](C)O)c1 238469805 573681642 /nfs/dbraw/zinc/68/16/42/573681642.db2.gz XXBBQGTWEIVQFW-OLFHSIHVSA-N 0 0 188.270 2.779 10 0 AFAERN CC[C@@H](C)c1noc(N)c1CC(C)C 43375950 573681713 /nfs/dbraw/zinc/68/17/13/573681713.db2.gz IIPNFXLERJEPAX-MRVPVSSYSA-N 0 0 196.294 2.969 10 0 AFAERN CC[C@H](C)C(=O)CC1CCC1 83840232 573681771 /nfs/dbraw/zinc/68/17/71/573681771.db2.gz YAWSJRIEBWVZKS-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H](F)c1cccc(C(C)(C)CO)c1 258090817 573681820 /nfs/dbraw/zinc/68/18/20/573681820.db2.gz NZDDJCAUJCVOIN-SECBINFHSA-N 0 0 196.265 2.987 10 0 AFAERN CC(=O)C[C@@H]1C=CC=CC[C@@H]1C 238469536 573681823 /nfs/dbraw/zinc/68/18/23/573681823.db2.gz GRQHBSAQQFXKKO-ONGXEEELSA-N 0 0 164.248 2.734 10 0 AFAERN C[C@@H](O)c1c(F)ccc2occc12 258090378 573681838 /nfs/dbraw/zinc/68/18/38/573681838.db2.gz WUDFAHSQKIRKKE-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN Cc1ccc(N)cc1OCC1CCC1 83837877 573681901 /nfs/dbraw/zinc/68/19/01/573681901.db2.gz GFMPEXKRNQFDMD-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CCn1cncc1CSC(C)C 258080445 573681902 /nfs/dbraw/zinc/68/19/02/573681902.db2.gz HIXGRTTXIVJLBT-UHFFFAOYSA-N 0 0 184.308 2.545 10 0 AFAERN CC(C)c1nc2cccc(Cl)n2n1 258079995 573681961 /nfs/dbraw/zinc/68/19/61/573681961.db2.gz WPXVBPZKBITIIN-UHFFFAOYSA-N 0 0 195.653 2.506 10 0 AFAERN Cc1noc2c(Cl)ccc(C=O)c12 259551574 573681983 /nfs/dbraw/zinc/68/19/83/573681983.db2.gz UHMCUSSBOWXDIS-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN C[C@H](O)c1c(F)ccc2occc12 258090377 573681985 /nfs/dbraw/zinc/68/19/85/573681985.db2.gz WUDFAHSQKIRKKE-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN N#CNc1c(Cl)cccc1Cl 83848491 573685388 /nfs/dbraw/zinc/68/53/88/573685388.db2.gz WRDIIXFFFMAOHI-UHFFFAOYSA-N 0 0 187.029 2.886 10 0 AFAERN CCO[C@@H](C)C[C@@H](O)c1ccccc1 238305691 573685436 /nfs/dbraw/zinc/68/54/36/573685436.db2.gz JYVFEIXTRYAOCD-CMPLNLGQSA-N 0 0 194.274 2.535 10 0 AFAERN CCCNc1cncc(NC(C)C)c1 122055263 573685533 /nfs/dbraw/zinc/68/55/33/573685533.db2.gz JZGJTZNCCWIWPH-UHFFFAOYSA-N 0 0 193.294 2.724 10 0 AFAERN Cc1sc(C)c2[nH]c(=S)[nH]c12 238470540 573685549 /nfs/dbraw/zinc/68/55/49/573685549.db2.gz KVUWBFHVGNNBSJ-UHFFFAOYSA-N 0 0 184.289 2.530 10 0 AFAERN CC[C@@H](CO)Cc1ccc(C)cc1 85041212 573685589 /nfs/dbraw/zinc/68/55/89/573685589.db2.gz GCJCKBVFEMPAEF-LLVKDONJSA-N 0 0 178.275 2.556 10 0 AFAERN C[C@H]1C=Cc2ccccc2[C@H](O)C1 238470215 573685623 /nfs/dbraw/zinc/68/56/23/573685623.db2.gz MTKAWPWTODGHRY-JOYOIKCWSA-N 0 0 174.243 2.773 10 0 AFAERN Cc1cc2c(s1)C[C@H](C)C[C@H]2O 238470119 573685661 /nfs/dbraw/zinc/68/56/61/573685661.db2.gz YGCCGIATXQFZHH-HZGVNTEJSA-N 0 0 182.288 2.672 10 0 AFAERN C[C@]1(c2ccccc2Cl)CC[C@@H]1O 238470126 573685680 /nfs/dbraw/zinc/68/56/80/573685680.db2.gz SMJMAXIPWZBSKY-WDEREUQCSA-N 0 0 196.677 2.752 10 0 AFAERN Cc1cc(=O)c(Cl)c(C(F)F)[nH]1 238470020 573685728 /nfs/dbraw/zinc/68/57/28/573685728.db2.gz CMQFVDRNACEPPZ-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CSc1ccc(C)c(C[C@H](C)O)c1 258093430 573685755 /nfs/dbraw/zinc/68/57/55/573685755.db2.gz OCIOCFBGUOSFNL-VIFPVBQESA-N 0 0 196.315 2.640 10 0 AFAERN CCCC[C@@H](CC)[C@@H](NN)C(C)C 126787075 573685779 /nfs/dbraw/zinc/68/57/79/573685779.db2.gz PECTZBFPLZFKCA-MNOVXSKESA-N 0 0 186.343 2.691 10 0 AFAERN Cc1ccc(C[C@H](CO)C(C)C)cc1 85040728 573685830 /nfs/dbraw/zinc/68/58/30/573685830.db2.gz NNIQPSQIHIWJNW-CYBMUJFWSA-N 0 0 192.302 2.802 10 0 AFAERN C[C@@H]1Cc2ccccc2[C@@H](CCO)C1 238470437 573685857 /nfs/dbraw/zinc/68/58/57/573685857.db2.gz OIFVPAADJZLMRV-PWSUYJOCSA-N 0 0 190.286 2.735 10 0 AFAERN Brc1coc2cc[nH]c12 237973641 573685929 /nfs/dbraw/zinc/68/59/29/573685929.db2.gz HHKNALSFTGFMDQ-UHFFFAOYSA-N 0 0 186.008 2.523 10 0 AFAERN C[C@H]1C[C@H](C2=CCCCC2)C1=O 238470159 573685983 /nfs/dbraw/zinc/68/59/83/573685983.db2.gz KOBZWQIJYBEZME-WCBMZHEXSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@]1(Cl)CC=CC[C@@H]1C 238470274 573685991 /nfs/dbraw/zinc/68/59/91/573685991.db2.gz PVUWDSKGOAYBIS-CBAPKCEASA-N 0 0 172.655 2.539 10 0 AFAERN C[C@@H]1CC(=O)[C@@H](C2CCCC2)C1 238470199 573685998 /nfs/dbraw/zinc/68/59/98/573685998.db2.gz JKZULBINKJEHDJ-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN CCCc1ccccc1[C@H](F)CO 257847369 573686021 /nfs/dbraw/zinc/68/60/21/573686021.db2.gz QJMONJBHMDJQAB-LLVKDONJSA-N 0 0 182.238 2.642 10 0 AFAERN CSC[C@H](C)c1cccc(O)c1 259617531 573686026 /nfs/dbraw/zinc/68/60/26/573686026.db2.gz FAQLGNJJDGSTNS-QMMMGPOBSA-N 0 0 182.288 2.859 10 0 AFAERN CCCc1ccccc1[C@@H](F)CO 257847370 573687867 /nfs/dbraw/zinc/68/78/67/573687867.db2.gz QJMONJBHMDJQAB-NSHDSACASA-N 0 0 182.238 2.642 10 0 AFAERN CC[C@@H](CO)Cc1ccc(Cl)cc1 85041312 573687887 /nfs/dbraw/zinc/68/78/87/573687887.db2.gz GXLNZLYPKFGOPX-SECBINFHSA-N 0 0 198.693 2.901 10 0 AFAERN Cc1ccc(Cl)c(C(F)F)n1 238479390 573687909 /nfs/dbraw/zinc/68/79/09/573687909.db2.gz IJIWTJOGOUHKKE-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN CC(C)=C=C1C(C)(C)[C@@]1(C)[C@H](C)O 238479595 573687322 /nfs/dbraw/zinc/68/73/22/573687322.db2.gz IWXGZFIGOQTTKW-CABZTGNLSA-N 0 0 180.291 2.905 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H]2CCC(=O)[C@H]12 238479017 573687330 /nfs/dbraw/zinc/68/73/30/573687330.db2.gz MFDHTVFECGLTDO-PKIKSRDPSA-N 0 0 166.264 2.648 10 0 AFAERN CCC(=O)C[C@H]1CCOC2(CCC2)C1 86905567 573687393 /nfs/dbraw/zinc/68/73/93/573687393.db2.gz XULJWYSACUBYBM-SNVBAGLBSA-N 0 0 196.290 2.705 10 0 AFAERN CCC(C)(C)Nc1cncc(NC)c1 122021115 573687421 /nfs/dbraw/zinc/68/74/21/573687421.db2.gz LYZUCWPVKAIESU-UHFFFAOYSA-N 0 0 193.294 2.724 10 0 AFAERN CCCC/C(F)=C(/Cl)[C@H](C)O 223373486 573687465 /nfs/dbraw/zinc/68/74/65/573687465.db2.gz IZSOFCMQKFUKOA-WXIAHEHCSA-N 0 0 180.650 2.977 10 0 AFAERN Cc1ccc2c(c1C)C(=O)C[C@H](C)N2 238478972 573687469 /nfs/dbraw/zinc/68/74/69/573687469.db2.gz VYGWETAWTDHSEK-QMMMGPOBSA-N 0 0 189.258 2.690 10 0 AFAERN CC(=O)[C@H](C)[C@H]1CCOC2(CCC2)C1 86905657 573687547 /nfs/dbraw/zinc/68/75/47/573687547.db2.gz KTVYCCLQZCHULK-ONGXEEELSA-N 0 0 196.290 2.561 10 0 AFAERN C/C=C(/C)[C@H](O)c1cccc(F)c1 237982644 573687557 /nfs/dbraw/zinc/68/75/57/573687557.db2.gz KRHSMUNFULYLTJ-DZHRUPLWSA-N 0 0 180.222 2.825 10 0 AFAERN CC[C@@H](F)C[N@@H+]1CC[C@@](C)(CC)C1 308422287 573687633 /nfs/dbraw/zinc/68/76/33/573687633.db2.gz PBNYQMSEPOQVSI-GHMZBOCLSA-N 0 0 187.302 2.857 10 0 AFAERN CC[C@@H](CO)Cc1ccccc1Cl 85041315 573687663 /nfs/dbraw/zinc/68/76/63/573687663.db2.gz SRGFNTJXOXXONL-SECBINFHSA-N 0 0 198.693 2.901 10 0 AFAERN CCCC[C@H](CO)c1ccccc1 85041561 573687702 /nfs/dbraw/zinc/68/77/02/573687702.db2.gz HICVLDGMWDLPEH-GFCCVEGCSA-N 0 0 178.275 2.953 10 0 AFAERN CCCC/C(F)=C(/Cl)[C@@H](C)O 223373417 573687761 /nfs/dbraw/zinc/68/77/61/573687761.db2.gz IZSOFCMQKFUKOA-VALLEEFXSA-N 0 0 180.650 2.977 10 0 AFAERN Cc1c(C(F)F)ccnc1Cl 238478679 573690510 /nfs/dbraw/zinc/69/05/10/573690510.db2.gz VIFCKSUZKNMSRW-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN CNc1cncc(NCCC(C)C)c1 122075438 573690538 /nfs/dbraw/zinc/69/05/38/573690538.db2.gz LCZDCQNODFVUKO-UHFFFAOYSA-N 0 0 193.294 2.581 10 0 AFAERN C[C@]1(CO)C=CCC=C1[Si](C)(C)C 238478645 573690585 /nfs/dbraw/zinc/69/05/85/573690585.db2.gz WQPTYUOGXYGBBO-LLVKDONJSA-N 0 0 196.366 2.749 10 0 AFAERN CN[C@@H](CCC(C)(C)C)C(F)(F)F 126807346 573690748 /nfs/dbraw/zinc/69/07/48/573690748.db2.gz OGURINUWWXUVLQ-ZETCQYMHSA-N 0 0 197.244 2.963 10 0 AFAERN C/C=C/C(=O)NC1CCC(CC)CC1 83860672 573691066 /nfs/dbraw/zinc/69/10/66/573691066.db2.gz IUOLYWMNVWOPDJ-HWKANZROSA-N 0 0 195.306 2.648 10 0 AFAERN C[C@@H]1C=Cc2ccccc2C(=O)C1 238479805 573692448 /nfs/dbraw/zinc/69/24/48/573692448.db2.gz JIZWFYZLQFYKKS-SECBINFHSA-N 0 0 172.227 2.922 10 0 AFAERN C[C@H]1Cc2ccccc2[C@@H](CCO)C1 238480006 573691838 /nfs/dbraw/zinc/69/18/38/573691838.db2.gz OIFVPAADJZLMRV-JQWIXIFHSA-N 0 0 190.286 2.735 10 0 AFAERN CCn1c(C=O)cc2cc(F)ccc21 257847029 573692018 /nfs/dbraw/zinc/69/20/18/573692018.db2.gz DFLVVHJJCKKIKM-UHFFFAOYSA-N 0 0 191.205 2.613 10 0 AFAERN CC(C)Nc1ncc(Cl)s1 83883395 573692070 /nfs/dbraw/zinc/69/20/70/573692070.db2.gz NOMZIWACDFUZJD-UHFFFAOYSA-N 0 0 176.672 2.617 10 0 AFAERN CC1=C(C)[C@@](C)([C@H](C)O)CC1 238479736 573692192 /nfs/dbraw/zinc/69/21/92/573692192.db2.gz AGZCYVWOJJVQAT-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN CC1=CC[C@H]2[C@@H]1CC(=O)C2(C)C 224572839 573692222 /nfs/dbraw/zinc/69/22/22/573692222.db2.gz HZXVGTNYNGHNBU-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN Cn1cc(-c2cc[nH]n2)c2ccccc21 259165704 573692237 /nfs/dbraw/zinc/69/22/37/573692237.db2.gz IYFIGDWXXCFLHZ-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN Cc1coc(CC[C@H](O)C(C)C)c1 716100466 573692972 /nfs/dbraw/zinc/69/29/72/573692972.db2.gz AKKYUXRLXIVLMV-NSHDSACASA-N 0 0 182.263 2.538 10 0 AFAERN CC1=Nc2ccccc2N[C@@H](C)C1 238482012 573693623 /nfs/dbraw/zinc/69/36/23/573693623.db2.gz CRXJFNQBEMPDEQ-QMMMGPOBSA-N 0 0 174.247 2.983 10 0 AFAERN Cc1[nH]c2c(N)cc(F)cc2c1C 238481198 573693732 /nfs/dbraw/zinc/69/37/32/573693732.db2.gz FROFKNQBIMHYEL-UHFFFAOYSA-N 0 0 178.210 2.506 10 0 AFAERN COSc1ccc(OC)c(C)c1 259160257 573693057 /nfs/dbraw/zinc/69/30/57/573693057.db2.gz GLPGIEKISAOLCF-UHFFFAOYSA-N 0 0 184.260 2.657 10 0 AFAERN CCOc1ccc(SC(C)=O)cc1 259160515 573693141 /nfs/dbraw/zinc/69/31/41/573693141.db2.gz GQGZWSGOKRIKKH-UHFFFAOYSA-N 0 0 196.271 2.724 10 0 AFAERN C[C@H](O)Cc1ccc2c(c1)[C@H](C)CC2 258085545 573693195 /nfs/dbraw/zinc/69/31/95/573693195.db2.gz NLXNXJAOTKBUOY-ZJUUUORDSA-N 0 0 190.286 2.660 10 0 AFAERN CC[C@H](C)Sc1nnc(C(C)C)[nH]1 393550473 573693214 /nfs/dbraw/zinc/69/32/14/573693214.db2.gz COEUTHXAEFRUNQ-ZETCQYMHSA-N 0 0 199.323 2.819 10 0 AFAERN CCc1c[nH]c(=O)c2cc(F)ccc12 258414616 573693235 /nfs/dbraw/zinc/69/32/35/573693235.db2.gz ZVJGDTQUDNYXKI-UHFFFAOYSA-N 0 0 191.205 2.642 10 0 AFAERN c1ccn2ccc(N3CCCC3)c2c1 237993250 573693293 /nfs/dbraw/zinc/69/32/93/573693293.db2.gz KCBLOHGNNDLZJS-UHFFFAOYSA-N 0 0 186.258 2.540 10 0 AFAERN CC(=O)CC[C@@H]1CCOC2(CCC2)C1 86915069 573693323 /nfs/dbraw/zinc/69/33/23/573693323.db2.gz LPQKHQNFTDKAML-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)[C@@H](CCC1CCCCC1)NN 126792671 573693389 /nfs/dbraw/zinc/69/33/89/573693389.db2.gz WKPISMWVEFGUFH-GFCCVEGCSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1ccc(O)c2c1N[C@H](C)[C@@H](C)C2 238480984 573693396 /nfs/dbraw/zinc/69/33/96/573693396.db2.gz BLHQTTYTVONRID-DTWKUNHWSA-N 0 0 191.274 2.693 10 0 AFAERN CCC[C@@H](C)Nc1cncc(NC)c1 122069616 573693431 /nfs/dbraw/zinc/69/34/31/573693431.db2.gz JMHOAXFZLPOOJI-SECBINFHSA-N 0 0 193.294 2.724 10 0 AFAERN OC1CC(c2csc(Cl)c2)C1 236486158 573693467 /nfs/dbraw/zinc/69/34/67/573693467.db2.gz LXAPVSXDFVIEKR-UHFFFAOYSA-N 0 0 188.679 2.640 10 0 AFAERN Cc1cc(CF)cc(C(F)F)n1 238481819 573695009 /nfs/dbraw/zinc/69/50/09/573695009.db2.gz GNAKRWRJWCOGRY-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN C=Cc1ccc2c(c1)C[C@H](C)N2 238481734 573695081 /nfs/dbraw/zinc/69/50/81/573695081.db2.gz UYWGRCBCKWVETD-QMMMGPOBSA-N 0 0 159.232 2.686 10 0 AFAERN C/C(Cl)=C/C[C@@H](O)C(C)(C)C 238481007 573695095 /nfs/dbraw/zinc/69/50/95/573695095.db2.gz DHQUCADLKDCTAM-GRKOMRHMSA-N 0 0 176.687 2.926 10 0 AFAERN C[C@H]1Cc2c(O)cccc2C1(C)C 238481048 573695117 /nfs/dbraw/zinc/69/51/17/573695117.db2.gz VSQFCCTXMDUWIL-QMMMGPOBSA-N 0 0 176.259 2.862 10 0 AFAERN C[C@@H]1CC/C(=C/c2ccccc2)[C@H]1O 238481657 573695130 /nfs/dbraw/zinc/69/51/30/573695130.db2.gz QPYXXQOBDSTHEX-WLDYEDAMSA-N 0 0 188.270 2.861 10 0 AFAERN Cc1ncc(N)c(C(F)F)c1Cl 238480927 573694464 /nfs/dbraw/zinc/69/44/64/573694464.db2.gz GURVCNOBJUWONL-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN COCc1ccc2c(N)cccc2c1 258088294 573694594 /nfs/dbraw/zinc/69/45/94/573694594.db2.gz WMBZZMJNZYMLID-UHFFFAOYSA-N 0 0 187.242 2.568 10 0 AFAERN OC1(c2cccc(C(F)F)c2)CC1 258088249 573694667 /nfs/dbraw/zinc/69/46/67/573694667.db2.gz NWKYBXJTJOPTPW-UHFFFAOYSA-N 0 0 184.185 2.606 10 0 AFAERN Cc1ccc(-c2nncs2)cc1C 238481752 573694673 /nfs/dbraw/zinc/69/46/73/573694673.db2.gz YJWRQGOGJASCLP-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1ccccc1Nc1ncco1 238481780 573694682 /nfs/dbraw/zinc/69/46/82/573694682.db2.gz RGMHVSDOOFHJHE-UHFFFAOYSA-N 0 0 174.203 2.727 10 0 AFAERN CNc1nc(-c2sccc2C)co1 259170445 573694769 /nfs/dbraw/zinc/69/47/69/573694769.db2.gz OHGAEGWURHVLAS-UHFFFAOYSA-N 0 0 194.259 2.753 10 0 AFAERN CCC(CC)Nc1cncc(NC)c1 122062992 573694922 /nfs/dbraw/zinc/69/49/22/573694922.db2.gz TUPVDVNMKFDLHB-UHFFFAOYSA-N 0 0 193.294 2.724 10 0 AFAERN Cc1ccc(-c2nncs2)c(F)c1 238481693 573694931 /nfs/dbraw/zinc/69/49/31/573694931.db2.gz RIPOWIFAKAEWGP-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1ccc(N)cc1NCCC1CC1 83893551 573696758 /nfs/dbraw/zinc/69/67/58/573696758.db2.gz SYXJMLIBVHXYJC-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN Cc1cc(CF)cnc1C(F)F 238481883 573696774 /nfs/dbraw/zinc/69/67/74/573696774.db2.gz POTSUBHFAIPVQB-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CC(C)c1nc(C=O)[nH]c1C1CCC1 257851294 573696809 /nfs/dbraw/zinc/69/68/09/573696809.db2.gz OZKOUWUJFRUJNR-UHFFFAOYSA-N 0 0 192.262 2.613 10 0 AFAERN Cc1cc(O)cc2c1C(=O)CC2(C)C 238481036 573696841 /nfs/dbraw/zinc/69/68/41/573696841.db2.gz IBYLMEZSCHGZMK-UHFFFAOYSA-N 0 0 190.242 2.565 10 0 AFAERN C[C@H](O)C(=C1CC1)c1ccccc1 238481039 573696126 /nfs/dbraw/zinc/69/61/26/573696126.db2.gz OMTHWACSKDYJGS-VIFPVBQESA-N 0 0 174.243 2.615 10 0 AFAERN CCC1([C@@H](O)CCC(F)(F)F)CC1 393551405 573696148 /nfs/dbraw/zinc/69/61/48/573696148.db2.gz RQLUDGMKSRXNCA-ZETCQYMHSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1ncc(N)c(Cl)c1C(F)F 238481414 573696156 /nfs/dbraw/zinc/69/61/56/573696156.db2.gz AARIDGDOFTUKRD-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1cc(NCCC2CC2)ccc1N 83893603 573696186 /nfs/dbraw/zinc/69/61/86/573696186.db2.gz KBHFBLHJDFTJMU-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN C[C@H]1CCC2=C(CC(=O)CC2)C1 238480779 573696214 /nfs/dbraw/zinc/69/62/14/573696214.db2.gz DNBPDLQEFQVFKO-QMMMGPOBSA-N 0 0 164.248 2.856 10 0 AFAERN COSc1cc(C)c(OC)cc1C 259169468 573696219 /nfs/dbraw/zinc/69/62/19/573696219.db2.gz HKVYTGNCPVBIQB-UHFFFAOYSA-N 0 0 198.287 2.966 10 0 AFAERN Cc1ccc(CC2CC2)c(O)c1C 238481094 573696397 /nfs/dbraw/zinc/69/63/97/573696397.db2.gz XRZBTZCIKZRVFN-UHFFFAOYSA-N 0 0 176.259 2.962 10 0 AFAERN CC(C)C(=O)[C@H]1CC(C)(C)OC1(C)C 86928272 573696546 /nfs/dbraw/zinc/69/65/46/573696546.db2.gz YQLGQPZJOSBLHN-SECBINFHSA-N 0 0 198.306 2.805 10 0 AFAERN C/C(Cl)=C/C[C@H](O)C(C)(C)C 238481074 573696553 /nfs/dbraw/zinc/69/65/53/573696553.db2.gz DHQUCADLKDCTAM-TVSKSKRASA-N 0 0 176.687 2.926 10 0 AFAERN CCc1cc(C)c(C)c(C[C@H](C)O)c1 258088175 573696567 /nfs/dbraw/zinc/69/65/67/573696567.db2.gz NUWMNJQQCTWPME-JTQLQIEISA-N 0 0 192.302 2.789 10 0 AFAERN Cc1[nH]c2c(N)cccc2c1C1CC1 238481428 573696570 /nfs/dbraw/zinc/69/65/70/573696570.db2.gz SUABYHVWGJYNPW-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN CC(C)=C=CC=C=C[C@@H](C)[C@H](C)O 238481468 573696578 /nfs/dbraw/zinc/69/65/78/573696578.db2.gz OZNBYIXXHUFGGL-BMVHATROSA-N 0 0 178.275 2.836 10 0 AFAERN Cc1ccccc1[C@@](C)(F)[C@@H]1CC[NH2+]1 257849819 573703036 /nfs/dbraw/zinc/70/30/36/573703036.db2.gz OOBIWGLPKHONPZ-NWDGAFQWSA-N 0 0 193.265 2.542 10 0 AFAERN CO[C@H](C)CC(=O)CC1(C)CCC1 393552038 573703071 /nfs/dbraw/zinc/70/30/71/573703071.db2.gz SSCYDPQMTHYABS-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ncc(O)c(Cl)c1C(F)F 238483933 573703085 /nfs/dbraw/zinc/70/30/85/573703085.db2.gz LTEIAIGBOHQOCP-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CC(=O)CC1=CCC[C@H](C)C1 238482099 573702334 /nfs/dbraw/zinc/70/23/34/573702334.db2.gz AAZKFVOBGRAFLH-QMMMGPOBSA-N 0 0 152.237 2.712 10 0 AFAERN C[C@H](O)[C@H](C)[C@@H](C)c1ccccc1 238482863 573702341 /nfs/dbraw/zinc/70/23/41/573702341.db2.gz AXJWXGDIAYKUMT-MXWKQRLJSA-N 0 0 178.275 2.807 10 0 AFAERN O[C@H](CCC1CC1)Cc1cccs1 83936480 573702435 /nfs/dbraw/zinc/70/24/35/573702435.db2.gz VJXPPZLIEQMSKI-SNVBAGLBSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@@H](C1=CCCCC1)c1ccccn1 236515848 573702456 /nfs/dbraw/zinc/70/24/56/573702456.db2.gz LQDRVBBIMXSDOB-LBPRGKRZSA-N 0 0 189.258 2.615 10 0 AFAERN C[C@@H]1CC[C@@H](c2ncc(CO)s2)C1 83943100 573702457 /nfs/dbraw/zinc/70/24/57/573702457.db2.gz RSCMVTDAAIOPRY-HTQZYQBOSA-N 0 0 197.303 2.539 10 0 AFAERN c1ccc2c(c1)ON1CCCC[C@H]21 237995341 573702509 /nfs/dbraw/zinc/70/25/09/573702509.db2.gz QGSSFRMNUZSZEK-SNVBAGLBSA-N 0 0 175.231 2.521 10 0 AFAERN C/C=C/C=C(\C)[C@H]1CCC[C@H]1O 237999098 573702543 /nfs/dbraw/zinc/70/25/43/573702543.db2.gz HCZZQKWENPABTL-CVRMQUGGSA-N 0 0 166.264 2.670 10 0 AFAERN CC[C@@H](C[C@@H](C)CC(C)(C)C)NN 126866576 573702596 /nfs/dbraw/zinc/70/25/96/573702596.db2.gz KARZWGIKNFLOGP-ZJUUUORDSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1coc([C@@H](O)[C@@H](C)C2CC2)c1 716106888 573702624 /nfs/dbraw/zinc/70/26/24/573702624.db2.gz ULTOMVMBJICAFT-KWQFWETISA-N 0 0 180.247 2.668 10 0 AFAERN Fc1ccc(Cc2cncs2)cc1 108235203 573702626 /nfs/dbraw/zinc/70/26/26/573702626.db2.gz GZTIFYJMAQTRLA-UHFFFAOYSA-N 0 0 193.246 2.873 10 0 AFAERN CCCNc1nc(C)c(C)nc1Cl 83941266 573702682 /nfs/dbraw/zinc/70/26/82/573702682.db2.gz ULTRABYLNXOIOL-UHFFFAOYSA-N 0 0 199.685 2.569 10 0 AFAERN Fc1ccccc1Cc1cncs1 108235197 573702802 /nfs/dbraw/zinc/70/28/02/573702802.db2.gz NMGDAXOXVJKKOA-UHFFFAOYSA-N 0 0 193.246 2.873 10 0 AFAERN C[C@]1(C(=O)c2ccco2)CCCS1 122123984 573702817 /nfs/dbraw/zinc/70/28/17/573702817.db2.gz IJTWKSCMYUWZKS-SNVBAGLBSA-N 0 0 196.271 2.748 10 0 AFAERN CC[C@H](C)C[C@]1(O)CS[C@@H](C)C1 86938815 573702829 /nfs/dbraw/zinc/70/28/29/573702829.db2.gz BHVQOCFEDZANDY-LPEHRKFASA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)c1nc2cccnc2s1 75839017 573702878 /nfs/dbraw/zinc/70/28/78/573702878.db2.gz KWNLASDDYJPRNX-UHFFFAOYSA-N 0 0 178.260 2.815 10 0 AFAERN C[C@@H]1CC[C@@H](c2nc(CO)cs2)C1 83942727 573702883 /nfs/dbraw/zinc/70/28/83/573702883.db2.gz XXVOXHAJGWJVMO-HTQZYQBOSA-N 0 0 197.303 2.539 10 0 AFAERN C[C@H]1CC[C@@H](c2ncc(CO)s2)C1 83943103 573703569 /nfs/dbraw/zinc/70/35/69/573703569.db2.gz RSCMVTDAAIOPRY-JGVFFNPUSA-N 0 0 197.303 2.539 10 0 AFAERN Cc1cc2c(cc1C)[C@@H](O)CCCN2 238483675 573703624 /nfs/dbraw/zinc/70/36/24/573703624.db2.gz YOUWMDOOOMWJGH-LBPRGKRZSA-N 0 0 191.274 2.543 10 0 AFAERN Cc1coc([C@H](O)[C@H](C)C2CC2)c1 716106890 573703640 /nfs/dbraw/zinc/70/36/40/573703640.db2.gz ULTOMVMBJICAFT-LDYMZIIASA-N 0 0 180.247 2.668 10 0 AFAERN C[C@H]1Cc2ccc([C@H](C)CO)cc2C1 238483723 573703665 /nfs/dbraw/zinc/70/36/65/573703665.db2.gz KEEOUHWFJDIXLF-VHSXEESVSA-N 0 0 190.286 2.517 10 0 AFAERN Cc1scnc1-c1cccnc1 108238340 573703703 /nfs/dbraw/zinc/70/37/03/573703703.db2.gz MURQRWASDVCTDU-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN C=Cc1cccc2c1N[C@@H](C)C2 238483983 573703783 /nfs/dbraw/zinc/70/37/83/573703783.db2.gz NAKZBBCURORJQE-QMMMGPOBSA-N 0 0 159.232 2.686 10 0 AFAERN CC[C@@H](CC1CCCCCC1)NN 126862866 573703869 /nfs/dbraw/zinc/70/38/69/573703869.db2.gz RQOCWVVEKJVORX-NSHDSACASA-N 0 0 184.327 2.589 10 0 AFAERN C[C@H]1CCCC(=O)C(C)(C)C1 238483421 573703877 /nfs/dbraw/zinc/70/38/77/573703877.db2.gz KZJWJLQYSFJYRY-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](C[C@@H](C)CC(C)(C)C)NN 126866839 573704004 /nfs/dbraw/zinc/70/40/04/573704004.db2.gz KARZWGIKNFLOGP-NXEZZACHSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1cc2c(cc1C)C(=O)CCCN2 238483616 573704018 /nfs/dbraw/zinc/70/40/18/573704018.db2.gz FEKPHFPODJVNLE-UHFFFAOYSA-N 0 0 189.258 2.692 10 0 AFAERN CC(C)CC[C@@]1(O)CS[C@@H](C)C1 86939285 573704076 /nfs/dbraw/zinc/70/40/76/573704076.db2.gz OZMLDWVQAZUBEK-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@H]1CC[C@H](c2nc(CO)cs2)C1 83942725 573704152 /nfs/dbraw/zinc/70/41/52/573704152.db2.gz XXVOXHAJGWJVMO-YUMQZZPRSA-N 0 0 197.303 2.539 10 0 AFAERN Cc1scnc1-c1ccco1 108238347 573704254 /nfs/dbraw/zinc/70/42/54/573704254.db2.gz ZYIYBVWOQWMGRI-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN CC(C)C[C@H](O)CCC1CC1 83936252 573704259 /nfs/dbraw/zinc/70/42/59/573704259.db2.gz LQJQUEHFYAOSFU-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc(Cl)c([C@H](C)[NH3+])c1F 75845002 573704338 /nfs/dbraw/zinc/70/43/38/573704338.db2.gz GXETVWPICAJWCE-LURJTMIESA-N 0 0 187.645 2.807 10 0 AFAERN CC1(C(=O)C2CCC2)CCCC1 122151322 573705792 /nfs/dbraw/zinc/70/57/92/573705792.db2.gz LVWNAMDDZZRINW-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@H](c1ncccc1F)C(F)(F)F 75839789 573705819 /nfs/dbraw/zinc/70/58/19/573705819.db2.gz SEJNRYKLMAEHOM-RXMQYKEDSA-N 0 0 193.143 2.887 10 0 AFAERN Cc1nn(C)c(C)c1C1CCCC1 75840527 573705863 /nfs/dbraw/zinc/70/58/63/573705863.db2.gz LZHUIEAPCMTCRC-UHFFFAOYSA-N 0 0 178.279 2.695 10 0 AFAERN CCn1ccc2ccc(C(C)=O)cc21 108240667 573705869 /nfs/dbraw/zinc/70/58/69/573705869.db2.gz JWNUEVOLYFIZMK-UHFFFAOYSA-N 0 0 187.242 2.864 10 0 AFAERN C/C=C/C[C@@H](O)[C@H]1CC=CCC1 238017453 573705889 /nfs/dbraw/zinc/70/58/89/573705889.db2.gz QRQTZXUGUTZLKZ-ZROCKMJXSA-N 0 0 166.264 2.670 10 0 AFAERN Cc1coc(Oc2cccc(F)c2)n1 257849606 573705893 /nfs/dbraw/zinc/70/58/93/573705893.db2.gz BIBDZTBIRQGIMM-UHFFFAOYSA-N 0 0 193.177 2.914 10 0 AFAERN Cc1scnc1-c1ccccn1 108238358 573705907 /nfs/dbraw/zinc/70/59/07/573705907.db2.gz QGVFEUQSEQVUAW-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN COc1cc(C)c(NC2CC2)c(C)c1 108256707 573705992 /nfs/dbraw/zinc/70/59/92/573705992.db2.gz QFICLVLDBOVOPF-UHFFFAOYSA-N 0 0 191.274 2.886 10 0 AFAERN C[C@H]1CC[C@@H](c2nc(CO)cs2)C1 83942729 573706028 /nfs/dbraw/zinc/70/60/28/573706028.db2.gz XXVOXHAJGWJVMO-JGVFFNPUSA-N 0 0 197.303 2.539 10 0 AFAERN Cc1cnc(OC2CCCC2)c(F)c1 238484638 573706032 /nfs/dbraw/zinc/70/60/32/573706032.db2.gz TXAJLSPUNVOFCZ-UHFFFAOYSA-N 0 0 195.237 2.851 10 0 AFAERN OCC[C@H](F)c1ccccc1Cl 257849765 573706039 /nfs/dbraw/zinc/70/60/39/573706039.db2.gz OMULFSLRJIMWPM-VIFPVBQESA-N 0 0 188.629 2.733 10 0 AFAERN CC(=O)c1cc(C2CCCC2)on1 259171176 573706099 /nfs/dbraw/zinc/70/60/99/573706099.db2.gz IZSSEHMVUZESCR-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN Fc1ccc(-c2cncs2)cc1 108240982 573706240 /nfs/dbraw/zinc/70/62/40/573706240.db2.gz YBKRZMVRSWNPRC-UHFFFAOYSA-N 0 0 179.219 2.949 10 0 AFAERN CCOc1cccc(NC2CC2)c1 108256724 573706245 /nfs/dbraw/zinc/70/62/45/573706245.db2.gz HRADKVSEAXZWBD-UHFFFAOYSA-N 0 0 177.247 2.660 10 0 AFAERN C/C=C/C[C@@H](O)[C@@H]1CC=CCC1 238017605 573706252 /nfs/dbraw/zinc/70/62/52/573706252.db2.gz QRQTZXUGUTZLKZ-WUNPDAOYSA-N 0 0 166.264 2.670 10 0 AFAERN CCC(=O)[C@@H](C)O[C@H]1CCC[C@@H](C)C1 224486974 573706300 /nfs/dbraw/zinc/70/63/00/573706300.db2.gz FWVHTRXSAYSSRH-MXWKQRLJSA-N 0 0 198.306 2.949 10 0 AFAERN Cc1ccccc1[C@](C)(F)[C@H]1CC[NH2+]1 257849816 573706399 /nfs/dbraw/zinc/70/63/99/573706399.db2.gz OOBIWGLPKHONPZ-NEPJUHHUSA-N 0 0 193.265 2.542 10 0 AFAERN CC(C)[C@H](C)C(=O)C1CCC1 122152497 573706424 /nfs/dbraw/zinc/70/64/24/573706424.db2.gz MOMLBWRGHLFIAR-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(O)c1ccc2ncsc2c1 258100906 573706516 /nfs/dbraw/zinc/70/65/16/573706516.db2.gz OTMWFPXQVQALQD-UHFFFAOYSA-N 0 0 193.271 2.524 10 0 AFAERN Cc1ccc([C@H](O)/C(F)=C/F)cc1 238490722 573711332 /nfs/dbraw/zinc/71/13/32/573711332.db2.gz XYBKUPKJFVELHW-MBACFSSFSA-N 0 0 184.185 2.809 10 0 AFAERN Cc1nc(C=O)[nH]c1C1CCCCC1 238491010 573710732 /nfs/dbraw/zinc/71/07/32/573710732.db2.gz MIBQCAFMFBNAEQ-UHFFFAOYSA-N 0 0 192.262 2.578 10 0 AFAERN C[C@@]1(CCO)C[C@@H]1c1ccccc1 238490558 573710789 /nfs/dbraw/zinc/71/07/89/573710789.db2.gz BUFCLMFYVXNRJW-VXGBXAGGSA-N 0 0 176.259 2.563 10 0 AFAERN Cc1ccc([C@H](O)C=C(F)F)cc1 238490742 573710796 /nfs/dbraw/zinc/71/07/96/573710796.db2.gz SKGYCOUHMANSKW-SECBINFHSA-N 0 0 184.185 2.809 10 0 AFAERN Cc1c(Cl)ccc([C@H](C)O)c1F 75852765 573710826 /nfs/dbraw/zinc/71/08/26/573710826.db2.gz YZDYVGOQSQYZDC-LURJTMIESA-N 0 0 188.629 2.841 10 0 AFAERN Cc1cnc2ccc(N)cc2c1Cl 238491236 573710968 /nfs/dbraw/zinc/71/09/68/573710968.db2.gz IBPFVUBBBOQVNK-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Cc1cc2c(N)cccc2s1 108264690 573710973 /nfs/dbraw/zinc/71/09/73/573710973.db2.gz FIQVDJJUQXQQGL-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN CC[C@H](C)[C@@H](C)Nc1cncc(N)c1 122204753 573711092 /nfs/dbraw/zinc/71/10/92/573711092.db2.gz MNHBZLKZEORGCC-DTWKUNHWSA-N 0 0 193.294 2.510 10 0 AFAERN C[C@@]1(Cc2ccccc2)CCC1=O 238491181 573711108 /nfs/dbraw/zinc/71/11/08/573711108.db2.gz IZPCIELHNXIYON-LBPRGKRZSA-N 0 0 174.243 2.598 10 0 AFAERN C[C@@]1(CCO)C[C@H]1c1ccccc1 238490580 573711123 /nfs/dbraw/zinc/71/11/23/573711123.db2.gz BUFCLMFYVXNRJW-NWDGAFQWSA-N 0 0 176.259 2.563 10 0 AFAERN CC[C@@H]1CCc2c(O)cccc2C1=O 197517756 573711134 /nfs/dbraw/zinc/71/11/34/573711134.db2.gz XBEXXKGEVYNVED-MRVPVSSYSA-N 0 0 190.242 2.547 10 0 AFAERN Cc1cccc(N2CCCCC2)c1O 238490922 573711146 /nfs/dbraw/zinc/71/11/46/573711146.db2.gz ITPILHTYWHQNTD-UHFFFAOYSA-N 0 0 191.274 2.691 10 0 AFAERN Cc1nc2c(F)c(F)ccc2s1 238491173 573711155 /nfs/dbraw/zinc/71/11/55/573711155.db2.gz CMNTXTITVJQRHK-UHFFFAOYSA-N 0 0 185.198 2.883 10 0 AFAERN CCO[C@H](C)C(=O)[C@H](C)CC(C)C 393554302 573711294 /nfs/dbraw/zinc/71/12/94/573711294.db2.gz MDBSCFLKRDFOIS-NXEZZACHSA-N 0 0 186.295 2.663 10 0 AFAERN O[C@@]1(C2=CCCCCC2)CCSC1 236547923 573711304 /nfs/dbraw/zinc/71/13/04/573711304.db2.gz CQSIOVQBTCSPAW-NSHDSACASA-N 0 0 198.331 2.745 10 0 AFAERN CC(C)[C@H](O)c1nc2ccccc2o1 75853566 573710667 /nfs/dbraw/zinc/71/06/67/573710667.db2.gz YKJTZWGZVZWTTA-JTQLQIEISA-N 0 0 191.230 2.517 10 0 AFAERN CC(C)c1ccccc1[C@@](C)(F)CO 257855044 573713932 /nfs/dbraw/zinc/71/39/32/573713932.db2.gz SXQQHSGPMNRUAE-LBPRGKRZSA-N 0 0 196.265 2.987 10 0 AFAERN CCCc1cnc(Cl)c(C=O)c1 197515191 573713975 /nfs/dbraw/zinc/71/39/75/573713975.db2.gz UZJAGVUELIHRII-UHFFFAOYSA-N 0 0 183.638 2.500 10 0 AFAERN Cc1nc(C(F)F)c(Cl)cc1N 238493478 573713379 /nfs/dbraw/zinc/71/33/79/573713379.db2.gz QXENGARCTZVEGN-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C[C@@H]1Cc2c(O)cccc2C1(C)C 238492835 573713386 /nfs/dbraw/zinc/71/33/86/573713386.db2.gz VSQFCCTXMDUWIL-MRVPVSSYSA-N 0 0 176.259 2.862 10 0 AFAERN CC(C)=C[C@@]1(O)CCCS[C@H]1C 86968624 573713462 /nfs/dbraw/zinc/71/34/62/573713462.db2.gz UXHZLAVFYHJMRF-UWVGGRQHSA-N 0 0 186.320 2.599 10 0 AFAERN CCCc1ccc([C@@](C)(F)CO)cc1 257854220 573713502 /nfs/dbraw/zinc/71/35/02/573713502.db2.gz SVMZTYMCUFLIKX-LBPRGKRZSA-N 0 0 196.265 2.816 10 0 AFAERN C[C@H]1CCc2ccc([C@@H](C)CO)cc21 258096128 573713546 /nfs/dbraw/zinc/71/35/46/573713546.db2.gz OHOLZPCLHWDVPS-UWVGGRQHSA-N 0 0 190.286 2.832 10 0 AFAERN CCCC[C@]1(O)CCCS[C@@H]1C 86947905 573713586 /nfs/dbraw/zinc/71/35/86/573713586.db2.gz FVBIMDZOLFQVPW-ZJUUUORDSA-N 0 0 188.336 2.823 10 0 AFAERN CCO[C@H](C)C(=O)[C@@H](C)CC(C)C 393554304 573713588 /nfs/dbraw/zinc/71/35/88/573713588.db2.gz MDBSCFLKRDFOIS-VHSXEESVSA-N 0 0 186.295 2.663 10 0 AFAERN OC1(Cc2ccc(C(F)F)cc2)CC1 258101103 573713615 /nfs/dbraw/zinc/71/36/15/573713615.db2.gz OVTZRGDEZTZGMD-UHFFFAOYSA-N 0 0 198.212 2.692 10 0 AFAERN Cc1ccc(F)c2c1[C@H](CCO)CC2 238492996 573713617 /nfs/dbraw/zinc/71/36/17/573713617.db2.gz UQJCNYHVGANTHR-VIFPVBQESA-N 0 0 194.249 2.546 10 0 AFAERN O[C@H](C1=CCCCC1)c1ccccn1 236559822 573713714 /nfs/dbraw/zinc/71/37/14/573713714.db2.gz LQDRVBBIMXSDOB-GFCCVEGCSA-N 0 0 189.258 2.615 10 0 AFAERN Cc1nccc2ccc(F)cc12 238492621 573713722 /nfs/dbraw/zinc/71/37/22/573713722.db2.gz RSBVQWWSVZHYHO-UHFFFAOYSA-N 0 0 161.179 2.682 10 0 AFAERN Cc1c(C)c(O)c2c(c1C)O[C@H](C)C2 238492614 573713729 /nfs/dbraw/zinc/71/37/29/573713729.db2.gz UJIWJIBFVCPHCG-ZCFIWIBFSA-N 0 0 192.258 2.641 10 0 AFAERN OC1(c2cc(F)cc3ccoc23)CC1 258096245 573713757 /nfs/dbraw/zinc/71/37/57/573713757.db2.gz OLQKFEUMLYWQNM-UHFFFAOYSA-N 0 0 192.189 2.553 10 0 AFAERN CC(=O)[C@@H]1Cc2cc(C)ccc2S1 258095606 573713828 /nfs/dbraw/zinc/71/38/28/573713828.db2.gz NQVPBMCUWJHRHQ-NSHDSACASA-N 0 0 192.283 2.601 10 0 AFAERN FC(F)(F)c1ccc2c(c1)N[C@H]1C[C@@H]21 257854466 573713865 /nfs/dbraw/zinc/71/38/65/573713865.db2.gz ANMDBRQQSDDCLS-CBAPKCEASA-N 0 0 199.175 2.987 10 0 AFAERN Cc1cc(N)ccc1-c1cccnc1C 715173313 573713889 /nfs/dbraw/zinc/71/38/89/573713889.db2.gz SKGTUMXCORLUBL-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(N)c2c1N[C@H](C)[C@H](C)C2 238492272 573713894 /nfs/dbraw/zinc/71/38/94/573713894.db2.gz YXZPMDPWGNBODR-RKDXNWHRSA-N 0 0 190.290 2.570 10 0 AFAERN C/C=C/[C@@H](C)[C@H](O)CC(C)C 238027553 573719486 /nfs/dbraw/zinc/71/94/86/573719486.db2.gz LLGVLHZSUSNLLY-GMCFVEKCSA-N 0 0 156.269 2.606 10 0 AFAERN C=C=C(C=C)[C@@H](O)c1ccccc1C 238494697 573719527 /nfs/dbraw/zinc/71/95/27/573719527.db2.gz NALIDGFKABIMMO-CYBMUJFWSA-N 0 0 186.254 2.926 10 0 AFAERN c1ccc(NC2SCCS2)cc1 238029373 573718862 /nfs/dbraw/zinc/71/88/62/573718862.db2.gz OPXRFCGOAFIOND-UHFFFAOYSA-N 0 0 197.328 2.862 10 0 AFAERN C/C=C/[C@@H](C)[C@H](O)C(C)(C)C 238027467 573718964 /nfs/dbraw/zinc/71/89/64/573718964.db2.gz WGUBRLRUJHQOTQ-BXELRRQVSA-N 0 0 156.269 2.606 10 0 AFAERN Cc1cc(O)c2c(O)cccc2c1C 238493685 573719050 /nfs/dbraw/zinc/71/90/50/573719050.db2.gz ODNPOMHIHRULGT-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN CCCCC[C@@H]1CC[C@@H](CO)CC1=O 215322594 573719087 /nfs/dbraw/zinc/71/90/87/573719087.db2.gz NXZNSVHDGGHFAX-GHMZBOCLSA-N 0 0 198.306 2.544 10 0 AFAERN Cc1cc(-c2cccc(N)c2)c(C)[nH]1 83965690 573719200 /nfs/dbraw/zinc/71/92/00/573719200.db2.gz JWLREIZVSUVHIV-UHFFFAOYSA-N 0 0 186.258 2.881 10 0 AFAERN OCCc1coc2cccc(Cl)c12 257856881 573719202 /nfs/dbraw/zinc/71/92/02/573719202.db2.gz FWVPMLKGCVRDKH-UHFFFAOYSA-N 0 0 196.633 2.621 10 0 AFAERN Cc1cc(C)c2c(c1C)CC[C@@H]2O 238494520 573719226 /nfs/dbraw/zinc/71/92/26/573719226.db2.gz ZMGOGINBPHTWFS-NSHDSACASA-N 0 0 176.259 2.591 10 0 AFAERN C[C@@]1(CO)C[C@@H]1CC1CCCC1 238494256 573719234 /nfs/dbraw/zinc/71/92/34/573719234.db2.gz BZBASHGMCWZPNX-QWRGUYRKSA-N 0 0 168.280 2.585 10 0 AFAERN C[C@H]1CCC(=O)c2ccc(F)cc2N1 257855874 573719297 /nfs/dbraw/zinc/71/92/97/573719297.db2.gz PWLPJVKCCAYMIJ-ZETCQYMHSA-N 0 0 193.221 2.603 10 0 AFAERN Cc1oc2cc(O)c(C)c(O)c2c1C 238494875 573719311 /nfs/dbraw/zinc/71/93/11/573719311.db2.gz VCUZRIMMUICAKQ-UHFFFAOYSA-N 0 0 192.214 2.769 10 0 AFAERN Cc1cc(C)c2c(c1C)CC[C@H]2O 238494836 573719331 /nfs/dbraw/zinc/71/93/31/573719331.db2.gz ZMGOGINBPHTWFS-LLVKDONJSA-N 0 0 176.259 2.591 10 0 AFAERN O=C1CCC[C@@H](C2CCC2)C1 108282324 573719422 /nfs/dbraw/zinc/71/94/22/573719422.db2.gz IETFQAHWFWZGCT-SECBINFHSA-N 0 0 152.237 2.546 10 0 AFAERN C/C=C/[C@@H](C)[C@H]1CCCC[C@@H]1O 238027749 573719447 /nfs/dbraw/zinc/71/94/47/573719447.db2.gz UKFGFMAMFXGACF-BCZGSGNNSA-N 0 0 168.280 2.750 10 0 AFAERN C/C=C/[C@@H](C)[C@H]1CCC(=O)[C@@H]1C 238027701 573719456 /nfs/dbraw/zinc/71/94/56/573719456.db2.gz NMENAPSQVSYVHC-OXFBJLKCSA-N 0 0 166.264 2.814 10 0 AFAERN O=c1ccoc2c(F)cc(Cl)cc12 75881982 573720786 /nfs/dbraw/zinc/72/07/86/573720786.db2.gz XQJVBTPNMZCJCO-UHFFFAOYSA-N 0 0 198.580 2.586 10 0 AFAERN Cc1c(F)cccc1[C@@H]1CCCC1=O 238493970 573720898 /nfs/dbraw/zinc/72/08/98/573720898.db2.gz UDROHLMMDUAUER-JTQLQIEISA-N 0 0 192.233 2.971 10 0 AFAERN C=CC1=C[C@@H]2CCC(=O)C[C@H]2CC1 223300644 573720954 /nfs/dbraw/zinc/72/09/54/573720954.db2.gz SYTVHJAURQCPCY-WDEREUQCSA-N 0 0 176.259 2.878 10 0 AFAERN CCC[C@@]1(O)CSCCC1(C)C 86972870 573720979 /nfs/dbraw/zinc/72/09/79/573720979.db2.gz YDLXXPRPPJOZSR-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CC(/C=C/[Si](C)(C)C)=C(/C)CO 238042481 573721090 /nfs/dbraw/zinc/72/10/90/573721090.db2.gz KAOIJCFJVCOODL-AVQMFFATSA-N 0 0 184.355 2.749 10 0 AFAERN C/C(=C\CC1CCCC1)CO 238043270 573721127 /nfs/dbraw/zinc/72/11/27/573721127.db2.gz LZQAAXGNGDXRAR-RMKNXTFCSA-N 0 0 154.253 2.505 10 0 AFAERN Cc1c(Cl)n(C)c2cccc(O)c12 257855672 573721134 /nfs/dbraw/zinc/72/11/34/573721134.db2.gz ALNGEBMMAJAJIT-UHFFFAOYSA-N 0 0 195.649 2.846 10 0 AFAERN C/C=C/[C@@H]1C[C@@H](/C=C/C)N=N1 238042173 573721186 /nfs/dbraw/zinc/72/11/86/573721186.db2.gz YXEMIGMXJXXMEE-NAPQWHRRSA-N 0 0 150.225 2.732 10 0 AFAERN CC(C)(O)c1c[nH]c2ccc(F)cc12 258103931 573721218 /nfs/dbraw/zinc/72/12/18/573721218.db2.gz IPZMJBXJEKWOFK-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN C/C=C\CNc1ccc(C#N)c(F)c1 394987918 573721309 /nfs/dbraw/zinc/72/13/09/573721309.db2.gz ZZNYXIVGNCULFC-IHWYPQMZSA-N 0 0 190.221 2.685 10 0 AFAERN Cc1ncc(CSC(C)C)o1 258104177 573721375 /nfs/dbraw/zinc/72/13/75/573721375.db2.gz IRCFRWYUMFDWAU-UHFFFAOYSA-N 0 0 171.265 2.625 10 0 AFAERN CC(C)[C@@]1(O)CSCC(C)(C)C1 86977874 573721385 /nfs/dbraw/zinc/72/13/85/573721385.db2.gz SQXJMRUXWGOMEI-JTQLQIEISA-N 0 0 188.336 2.537 10 0 AFAERN C/C=C/[C@H](C)[C@H](O)C(C)(C)C 238051073 573721412 /nfs/dbraw/zinc/72/14/12/573721412.db2.gz WGUBRLRUJHQOTQ-YKAJXJTPSA-N 0 0 156.269 2.606 10 0 AFAERN CCC[C@]1(O)CSCCC1(C)C 86972865 573723445 /nfs/dbraw/zinc/72/34/45/573723445.db2.gz YDLXXPRPPJOZSR-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN O[C@H](c1ccoc1)c1ccoc1Cl 236584635 573723458 /nfs/dbraw/zinc/72/34/58/573723458.db2.gz UYVRQSBNTIZKCF-MRVPVSSYSA-N 0 0 198.605 2.608 10 0 AFAERN CCC[C@@]1(O)CSCC(C)(C)C1 86977804 573723580 /nfs/dbraw/zinc/72/35/80/573723580.db2.gz SXWMMZHWJIPQQJ-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CC1Oc2ccccc2NC1=S 238495639 573723625 /nfs/dbraw/zinc/72/36/25/573723625.db2.gz HUNJFFDBAXRRGJ-UHFFFAOYSA-N 0 0 179.244 2.610 10 0 AFAERN Cc1cc(Cl)c(C(F)F)nc1N 238495739 573723641 /nfs/dbraw/zinc/72/36/41/573723641.db2.gz FMPUYUAKCSSVSG-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC(C)c1ccc([C@](C)(F)CO)cc1 257858252 573723654 /nfs/dbraw/zinc/72/36/54/573723654.db2.gz UMQUDUWUBQUBDD-GFCCVEGCSA-N 0 0 196.265 2.987 10 0 AFAERN Cc1ncccc1[C@H]1CCCC(=O)C1 238495754 573723751 /nfs/dbraw/zinc/72/37/51/573723751.db2.gz ZBLXAPWKBHQCHD-JTQLQIEISA-N 0 0 189.258 2.617 10 0 AFAERN Cc1cc(O)ccc1[C@H]1CCC(=O)C1 238485629 573723797 /nfs/dbraw/zinc/72/37/97/573723797.db2.gz ODJKAWUVSLWROA-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN Cc1ccccc1[C@H]1CCC=C[C@@H]1O 238495333 573723823 /nfs/dbraw/zinc/72/38/23/573723823.db2.gz QJSLGTGVLPICGS-OLZOCXBDSA-N 0 0 188.270 2.790 10 0 AFAERN COCc1cc2ccc(Cl)cc2[nH]1 258104816 573723916 /nfs/dbraw/zinc/72/39/16/573723916.db2.gz SHGOMIRZEPQANK-UHFFFAOYSA-N 0 0 195.649 2.968 10 0 AFAERN F[C@H](c1ccc(Cl)cc1)[C@@H]1CC[NH2+]1 257851470 573724127 /nfs/dbraw/zinc/72/41/27/573724127.db2.gz MTKDMGHMIZRQBL-VHSXEESVSA-N 0 0 199.656 2.713 10 0 AFAERN C[C@H]1Cc2ccccc2[C@@H](C)C1=O 238485653 573724164 /nfs/dbraw/zinc/72/41/64/573724164.db2.gz MNZQTUUQGBPSHF-DTWKUNHWSA-N 0 0 174.243 2.551 10 0 AFAERN CC1(C)CNc2ccc(F)c(F)c2O1 75883211 573724993 /nfs/dbraw/zinc/72/49/93/573724993.db2.gz JNOVLORRGYZCRC-UHFFFAOYSA-N 0 0 199.200 2.548 10 0 AFAERN Cc1cc(Cl)c(C(F)F)cn1 238495303 573725048 /nfs/dbraw/zinc/72/50/48/573725048.db2.gz KPSNFZBFLJPQQH-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN F[C@@H](c1ccc(Cl)cc1)[C@H]1CC[NH2+]1 257851472 573725091 /nfs/dbraw/zinc/72/50/91/573725091.db2.gz MTKDMGHMIZRQBL-ZJUUUORDSA-N 0 0 199.656 2.713 10 0 AFAERN Cc1c(O)c(Cl)c2c[nH]nc2c1C 142914487 573725093 /nfs/dbraw/zinc/72/50/93/573725093.db2.gz CBAOYCMVDQNHJY-UHFFFAOYSA-N 0 0 196.637 2.539 10 0 AFAERN Cc1nc(C(F)F)c(N)cc1Cl 238495330 573725107 /nfs/dbraw/zinc/72/51/07/573725107.db2.gz YPCBVUHQQKTHKO-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCCC1(NC(C)=O)CCCCC1 142915417 573725126 /nfs/dbraw/zinc/72/51/26/573725126.db2.gz CODZLFPNPMUXQD-UHFFFAOYSA-N 0 0 183.295 2.626 10 0 AFAERN O[C@]1(C2=CCCCCC2)CCSC1 236584991 573725231 /nfs/dbraw/zinc/72/52/31/573725231.db2.gz CQSIOVQBTCSPAW-LLVKDONJSA-N 0 0 198.331 2.745 10 0 AFAERN Cc1c(F)cnc(C(F)F)c1C 238496232 573725251 /nfs/dbraw/zinc/72/52/51/573725251.db2.gz BSFTWCARAHZCNM-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN CC[C@H]1CNc2ccc(F)c(F)c2O1 75883284 573725291 /nfs/dbraw/zinc/72/52/91/573725291.db2.gz RHPQAZNMHMZLST-LURJTMIESA-N 0 0 199.200 2.548 10 0 AFAERN Oc1ccc2noc(C3CCC3)c2c1 257857705 573725361 /nfs/dbraw/zinc/72/53/61/573725361.db2.gz QGXQHTSOAQJAJA-UHFFFAOYSA-N 0 0 189.214 2.801 10 0 AFAERN C/C=C(/C)CCC[C@H](C)O 238059863 573725398 /nfs/dbraw/zinc/72/53/98/573725398.db2.gz BLLBSXUQSZMEKZ-OTOXVQDCSA-N 0 0 142.242 2.504 10 0 AFAERN CC1(C)CNc2cc(F)cc(F)c2O1 75883214 573725405 /nfs/dbraw/zinc/72/54/05/573725405.db2.gz DUBWZISVAHSPEU-UHFFFAOYSA-N 0 0 199.200 2.548 10 0 AFAERN CC/C=C/C(=O)OCCCCCF 308426009 573725413 /nfs/dbraw/zinc/72/54/13/573725413.db2.gz RGLAFUHAGGEFEJ-XVNBXDOJSA-N 0 0 188.242 2.636 10 0 AFAERN CC(C)[C@H]1CNc2ccc(F)cc2O1 75883289 573725422 /nfs/dbraw/zinc/72/54/22/573725422.db2.gz DTSBNGAFYZQFCT-LLVKDONJSA-N 0 0 195.237 2.655 10 0 AFAERN Cc1[nH]c2c(C)cc(C)c(C)c2[nH+]1 238495316 573725451 /nfs/dbraw/zinc/72/54/51/573725451.db2.gz POXONNONELWSBK-UHFFFAOYSA-N 0 0 174.247 2.797 10 0 AFAERN c1[nH]nc(C2CC2)c1OC1CCCC1 238060157 573725538 /nfs/dbraw/zinc/72/55/38/573725538.db2.gz ICRYSMFASRNTBR-UHFFFAOYSA-N 0 0 192.262 2.609 10 0 AFAERN CCCc1cccc(C2(CO)CC2)c1 257857284 573725569 /nfs/dbraw/zinc/72/55/69/573725569.db2.gz UIQZVQGHHNMDJB-UHFFFAOYSA-N 0 0 190.286 2.663 10 0 AFAERN Oc1ccc2scc(F)c2c1 258418644 573724831 /nfs/dbraw/zinc/72/48/31/573724831.db2.gz BUFRXEPTZKIPBJ-UHFFFAOYSA-N 0 0 168.192 2.746 10 0 AFAERN Nc1cccc2occ(Cl)c12 108286923 573727716 /nfs/dbraw/zinc/72/77/16/573727716.db2.gz DXZTUDSITJGEPA-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN C/C=C/[C@H](O)c1c(C)cccc1C 238060114 573727756 /nfs/dbraw/zinc/72/77/56/573727756.db2.gz MCAVLMWFYHNLMW-MALLOTDXSA-N 0 0 176.259 2.913 10 0 AFAERN COCc1cccc([C@@H](O)C(C)C)c1 83968721 573727825 /nfs/dbraw/zinc/72/78/25/573727825.db2.gz PHWACJTYTBRTBI-LBPRGKRZSA-N 0 0 194.274 2.522 10 0 AFAERN COc1c(C)cc(C)cc1C(C)(C)O 258106275 573727876 /nfs/dbraw/zinc/72/78/76/573727876.db2.gz PEGFYYUXDSHEMG-UHFFFAOYSA-N 0 0 194.274 2.539 10 0 AFAERN CC(=O)C12C[C@]3(C)CC1C[C@]3(C)C2 238058254 573727943 /nfs/dbraw/zinc/72/79/43/573727943.db2.gz XDLDQSZOCMOMQF-WSVSKBAQSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)(CF)c1ccc(O)cc1 258512752 573727980 /nfs/dbraw/zinc/72/79/80/573727980.db2.gz LPJSVALGYKKWNG-UHFFFAOYSA-N 0 0 168.211 2.639 10 0 AFAERN Nc1ccc2c(Cl)coc2c1 108286911 573728028 /nfs/dbraw/zinc/72/80/28/573728028.db2.gz NYJKNRHHPFLCHH-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN C[C@@H]1Cc2cccc(O)c2NC1(C)C 258108112 573728030 /nfs/dbraw/zinc/72/80/30/573728030.db2.gz IVMBJKSEQZKXME-MRVPVSSYSA-N 0 0 191.274 2.775 10 0 AFAERN COCc1csc2ccc(O)cc12 258108675 573728047 /nfs/dbraw/zinc/72/80/47/573728047.db2.gz SRTPVUAIARFLBS-UHFFFAOYSA-N 0 0 194.255 2.753 10 0 AFAERN C/C=C(/C)CC[C@H](O)C(C)C 238060329 573728079 /nfs/dbraw/zinc/72/80/79/573728079.db2.gz MVSANMGJILGZBB-BSKOKIOFSA-N 0 0 156.269 2.750 10 0 AFAERN CC(=O)CC[C@@H](C)C(F)(F)F 108286998 573728132 /nfs/dbraw/zinc/72/81/32/573728132.db2.gz ZBURBOIRLCIXKW-RXMQYKEDSA-N 0 0 168.158 2.554 10 0 AFAERN C/C=C/[C@H](O)c1cccc(C)c1 238060200 573728190 /nfs/dbraw/zinc/72/81/90/573728190.db2.gz BQUGEHVIWFWJSR-TZNOJPMFSA-N 0 0 162.232 2.605 10 0 AFAERN C[C@H]1CC(=O)C[C@@H]2[C@@H](C)CC[C@H]12 238487532 573728219 /nfs/dbraw/zinc/72/82/19/573728219.db2.gz HWOXPOKPAOSMNV-OINDSLJFSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H]1CCCCC[C@](C)(C(N)=O)CC1 238488403 573728253 /nfs/dbraw/zinc/72/82/53/573728253.db2.gz YEJCQOFBGPGAIQ-JQWIXIFHSA-N 0 0 197.322 2.858 10 0 AFAERN Cc1snc(Cl)c1Cl 108286937 573728254 /nfs/dbraw/zinc/72/82/54/573728254.db2.gz XLUXQTZKOXIPBL-UHFFFAOYSA-N 0 0 168.048 2.758 10 0 AFAERN Cc1nccc(C(F)F)c1Cl 238488454 573728302 /nfs/dbraw/zinc/72/83/02/573728302.db2.gz QFLDHIRRTKWXBC-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN C/C=C(/C)CC[C@@H](O)C(C)C 238060053 573728340 /nfs/dbraw/zinc/72/83/40/573728340.db2.gz MVSANMGJILGZBB-HYHWUIIZSA-N 0 0 156.269 2.750 10 0 AFAERN C[C@@H](CO)c1cccc2c1CCCC2 258106396 573728342 /nfs/dbraw/zinc/72/83/42/573728342.db2.gz PGUOKFJRLYEXOJ-JTQLQIEISA-N 0 0 190.286 2.661 10 0 AFAERN Cc1ccc(Cl)nc1C(F)F 238488616 573730498 /nfs/dbraw/zinc/73/04/98/573730498.db2.gz TWQYRWZOLHTKIS-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN Oc1ccc2cc(Cl)[nH]c2c1 108286888 573730507 /nfs/dbraw/zinc/73/05/07/573730507.db2.gz BWHIXXMFXOBQTE-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN Nc1ccc2cc(Cl)oc2c1 108286883 573730520 /nfs/dbraw/zinc/73/05/20/573730520.db2.gz IDMXNUOYCGBDPK-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN CCC(C)(C)c1ccc(CNO)cc1 258110806 573730528 /nfs/dbraw/zinc/73/05/28/573730528.db2.gz PNTMRLLUZYSTIK-UHFFFAOYSA-N 0 0 193.290 2.853 10 0 AFAERN C[C@H]1CCCCC[C@@](C)(C(N)=O)CC1 238488097 573730588 /nfs/dbraw/zinc/73/05/88/573730588.db2.gz YEJCQOFBGPGAIQ-CMPLNLGQSA-N 0 0 197.322 2.858 10 0 AFAERN Nc1cccc2oc(Cl)cc12 108286899 573730601 /nfs/dbraw/zinc/73/06/01/573730601.db2.gz GEFFLZGLDUWBBW-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN CC(=O)C1(Cl)C(C)(C)C1(C)C 238056946 573730659 /nfs/dbraw/zinc/73/06/59/573730659.db2.gz OYNGETRORLVRMD-UHFFFAOYSA-N 0 0 174.671 2.619 10 0 AFAERN C[C@H]1CC2=C(CCCC2)C[C@@H]1O 238487830 573730765 /nfs/dbraw/zinc/73/07/65/573730765.db2.gz NXJKUZSZHVWATK-KWQFWETISA-N 0 0 166.264 2.648 10 0 AFAERN COCc1cn(C)c2cc(C)ccc12 257852388 573730772 /nfs/dbraw/zinc/73/07/72/573730772.db2.gz CDVYMKUCMQTNTF-UHFFFAOYSA-N 0 0 189.258 2.633 10 0 AFAERN CC[C@H]1CCCCN1C(=O)OC(C)C 126946889 573730888 /nfs/dbraw/zinc/73/08/88/573730888.db2.gz HIXKKJMNHQTBGX-JTQLQIEISA-N 0 0 199.294 2.796 10 0 AFAERN CSc1ccc(N)c2sncc12 83983382 573730897 /nfs/dbraw/zinc/73/08/97/573730897.db2.gz VYWWYECUFUPUNE-UHFFFAOYSA-N 0 0 196.300 2.600 10 0 AFAERN Cc1ccc(Cl)cc1[C@H]1CO1 238487514 573730971 /nfs/dbraw/zinc/73/09/71/573730971.db2.gz LGRUTFVMLVSJMJ-SECBINFHSA-N 0 0 168.623 2.720 10 0 AFAERN Oc1ccc2[nH]cc(Cl)c2c1 108286920 573731005 /nfs/dbraw/zinc/73/10/05/573731005.db2.gz DBFVAWDUCGTSKI-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN C[C@@H]1C[C@]2(C)CCCC[C@@H]2C[C@@H]1O 238489801 573734902 /nfs/dbraw/zinc/73/49/02/573734902.db2.gz SLMZRHBDVKAKEL-WYUUTHIRSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)n1ncc(C=O)c1C1CCC1 257858501 573735680 /nfs/dbraw/zinc/73/56/80/573735680.db2.gz QLGINDUXUOIRBS-UHFFFAOYSA-N 0 0 192.262 2.544 10 0 AFAERN Fc1cccc(Oc2ncco2)c1 257853402 573734945 /nfs/dbraw/zinc/73/49/45/573734945.db2.gz CMHJUULQJDXKEM-UHFFFAOYSA-N 0 0 179.150 2.606 10 0 AFAERN C[C@@]1(CO)CCCCc2ccccc21 238489049 573734969 /nfs/dbraw/zinc/73/49/69/573734969.db2.gz YVQCKSDEOUMJKD-ZDUSSCGKSA-N 0 0 190.286 2.663 10 0 AFAERN COC[C@H](C)[C@H](C)n1c(C)ccc1C 308695420 573735052 /nfs/dbraw/zinc/73/50/52/573735052.db2.gz STWZYRFYYPUYLY-CABZTGNLSA-N 0 0 195.306 2.948 10 0 AFAERN Cc1cc2c(F)cccc2o1 75926944 573735143 /nfs/dbraw/zinc/73/51/43/573735143.db2.gz MZHKPNHMYMLLQB-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN Oc1cc2c3c(c1)CC[C@@H]3CCC2 108290830 573735170 /nfs/dbraw/zinc/73/51/70/573735170.db2.gz OVXAQJLLKBVXTA-QMMMGPOBSA-N 0 0 174.243 2.758 10 0 AFAERN CCc1cnc(Cl)c(Cl)c1 197572311 573735241 /nfs/dbraw/zinc/73/52/41/573735241.db2.gz MHGROWBJPDMBGX-UHFFFAOYSA-N 0 0 176.046 2.951 10 0 AFAERN CC(C)(C)c1ccccc1[C@H](F)CO 257854027 573735255 /nfs/dbraw/zinc/73/52/55/573735255.db2.gz SQAVUSXRZMJGLO-LLVKDONJSA-N 0 0 196.265 2.987 10 0 AFAERN Cc1ccc(Cl)c(C)c1C=O 108287673 573735335 /nfs/dbraw/zinc/73/53/35/573735335.db2.gz DBTPLWDIHWVXRB-UHFFFAOYSA-N 0 0 168.623 2.769 10 0 AFAERN Oc1cc2c3c(c1)CC[C@H]3CCC2 108290828 573735353 /nfs/dbraw/zinc/73/53/53/573735353.db2.gz OVXAQJLLKBVXTA-MRVPVSSYSA-N 0 0 174.243 2.758 10 0 AFAERN Nc1ccc2c3c1CCC[C@@H]3CC2 108290519 573735360 /nfs/dbraw/zinc/73/53/60/573735360.db2.gz RIEIRPXQYSVDIF-MRVPVSSYSA-N 0 0 173.259 2.635 10 0 AFAERN Cc1cccc(-c2oc(N)nc2C)c1 257859997 573735376 /nfs/dbraw/zinc/73/53/76/573735376.db2.gz QUTBEDKBCPKYLT-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc2c(c1F)C(=O)CCC2 238489953 573735452 /nfs/dbraw/zinc/73/54/52/573735452.db2.gz GIAVJUKKXHLDJN-UHFFFAOYSA-N 0 0 178.206 2.653 10 0 AFAERN COC[C@H](C)[C@@H](C)n1c(C)ccc1C 308695422 573735555 /nfs/dbraw/zinc/73/55/55/573735555.db2.gz STWZYRFYYPUYLY-JOYOIKCWSA-N 0 0 195.306 2.948 10 0 AFAERN Oc1ccc2cc(Cl)oc2c1 108287643 573735566 /nfs/dbraw/zinc/73/55/66/573735566.db2.gz GKPFSPXCDPTHQJ-UHFFFAOYSA-N 0 0 168.579 2.792 10 0 AFAERN C=Cc1ccc(C2CC2)nc1 144700394 573735585 /nfs/dbraw/zinc/73/55/85/573735585.db2.gz YDVUWMQTRYLCCJ-UHFFFAOYSA-N 0 0 145.205 2.602 10 0 AFAERN C/C=C/[C@H](C)[C@H]1CCCC[C@@H]1O 238051428 573735636 /nfs/dbraw/zinc/73/56/36/573735636.db2.gz UKFGFMAMFXGACF-SHJRHDGBSA-N 0 0 168.280 2.750 10 0 AFAERN OC/C=C/c1cccc(C2CC2)c1 87014315 573736679 /nfs/dbraw/zinc/73/66/79/573736679.db2.gz KMOICZYBDKQUAA-DUXPYHPUSA-N 0 0 174.243 2.570 10 0 AFAERN Oc1cc2c(cc1Cl)CCC2 108287669 573736088 /nfs/dbraw/zinc/73/60/88/573736088.db2.gz UXFGVRWXBLEVDC-UHFFFAOYSA-N 0 0 168.623 2.534 10 0 AFAERN CC(=O)c1nocc1-c1ccccc1 257860157 573736122 /nfs/dbraw/zinc/73/61/22/573736122.db2.gz VDDROGWEUMORJT-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN COC[C@@H](C)[C@H](C)n1c(C)ccc1C 308695424 573736135 /nfs/dbraw/zinc/73/61/35/573736135.db2.gz STWZYRFYYPUYLY-SKDRFNHKSA-N 0 0 195.306 2.948 10 0 AFAERN C/C=C/C(=O)NCCC1(C)CCCC1 308693913 573736156 /nfs/dbraw/zinc/73/61/56/573736156.db2.gz SIWUVJBXRAOFPQ-ZZXKWVIFSA-N 0 0 195.306 2.649 10 0 AFAERN CC[C@H](NN)C1(CC(C)C)CCCC1 126887046 573736242 /nfs/dbraw/zinc/73/62/42/573736242.db2.gz RJHFKKRDVFDMFZ-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN CCOC(=O)[C@@H](CC)[C@@H](C)CC 214811390 573736273 /nfs/dbraw/zinc/73/62/73/573736273.db2.gz JUOFQZPNNRPDEY-IUCAKERBSA-N 0 0 172.268 2.622 10 0 AFAERN Oc1cccc2cc(Cl)oc12 108287638 573736315 /nfs/dbraw/zinc/73/63/15/573736315.db2.gz HJEZACBUQLHXBL-UHFFFAOYSA-N 0 0 168.579 2.792 10 0 AFAERN Oc1cccc2c(Cl)coc12 108287654 573736341 /nfs/dbraw/zinc/73/63/41/573736341.db2.gz KRYJUBSHMZRUCP-UHFFFAOYSA-N 0 0 168.579 2.792 10 0 AFAERN Nc1cc2c3c(c1)CC[C@@H]3CCC2 108290523 573736378 /nfs/dbraw/zinc/73/63/78/573736378.db2.gz RFCRTFPNWGBUGT-QMMMGPOBSA-N 0 0 173.259 2.635 10 0 AFAERN Nc1ccc2c3c1CCC[C@H]3CC2 108290517 573736428 /nfs/dbraw/zinc/73/64/28/573736428.db2.gz RIEIRPXQYSVDIF-QMMMGPOBSA-N 0 0 173.259 2.635 10 0 AFAERN Cc1ccc(Cl)c([C@H](C)CO)c1 258113449 573736462 /nfs/dbraw/zinc/73/64/62/573736462.db2.gz PXNAQMLWEIEJOP-MRVPVSSYSA-N 0 0 184.666 2.744 10 0 AFAERN Cc1ccc(Cl)c([C@@H](C)CO)c1 258113452 573736515 /nfs/dbraw/zinc/73/65/15/573736515.db2.gz PXNAQMLWEIEJOP-QMMMGPOBSA-N 0 0 184.666 2.744 10 0 AFAERN C[C@@H]1Cc2ccc(C3CC3)cc2C1=O 87013008 573736547 /nfs/dbraw/zinc/73/65/47/573736547.db2.gz MEKDVMIBVLKNGM-MRVPVSSYSA-N 0 0 186.254 2.939 10 0 AFAERN Cc1ccc2cccc3c2c1NC3=O 238496468 573736606 /nfs/dbraw/zinc/73/66/06/573736606.db2.gz NAQIVXLKHCXRMN-UHFFFAOYSA-N 0 0 183.210 2.714 10 0 AFAERN CNC1=C(C(F)(F)F)CCCC1 108292178 573738274 /nfs/dbraw/zinc/73/82/74/573738274.db2.gz LFLVFJBLPVHNOR-UHFFFAOYSA-N 0 0 179.185 2.596 10 0 AFAERN CC(=O)NC1=C(C)CC(C)(C)C1(C)C 238073501 573738979 /nfs/dbraw/zinc/73/89/79/573738979.db2.gz ZCFNKNYBVXSPBO-UHFFFAOYSA-N 0 0 195.306 2.853 10 0 AFAERN C[C@@]12CCC=CCC[C@]1(C)[C@@H]2CO 393561639 573744356 /nfs/dbraw/zinc/74/43/56/573744356.db2.gz DPLFGUUAIZDSDQ-ZSBIGDGJSA-N 0 0 180.291 2.751 10 0 AFAERN OC/C=C/c1ccc(C2CC2)cc1 87014313 573738337 /nfs/dbraw/zinc/73/83/37/573738337.db2.gz YMKYHPNZDJKDCN-OWOJBTEDSA-N 0 0 174.243 2.570 10 0 AFAERN C[C@H](O)c1ccccc1C1CC1 87015204 573738345 /nfs/dbraw/zinc/73/83/45/573738345.db2.gz SSBOZSHVYAOUHF-QMMMGPOBSA-N 0 0 162.232 2.617 10 0 AFAERN CC(=O)[C@H]1CCCC1=C(C)C 238073162 573738490 /nfs/dbraw/zinc/73/84/90/573738490.db2.gz BLMQNBHHDLJIMT-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)Sc1cc(O)ccc1O 224994775 573738526 /nfs/dbraw/zinc/73/85/26/573738526.db2.gz UIPDRSDBBQVZOI-UHFFFAOYSA-N 0 0 184.260 2.598 10 0 AFAERN C[C@@H]1Cc2ccc(C3CC3)cc2[C@H]1O 87013058 573738527 /nfs/dbraw/zinc/73/85/27/573738527.db2.gz GADZJJGAANDILS-OQPBUACISA-N 0 0 188.270 2.790 10 0 AFAERN COC[C@@H](C)[C@@H](C)n1c(C)ccc1C 308695419 573738544 /nfs/dbraw/zinc/73/85/44/573738544.db2.gz STWZYRFYYPUYLY-BXKDBHETSA-N 0 0 195.306 2.948 10 0 AFAERN O=Cc1ccc2c(Cl)c[nH]c2c1 108292702 573738594 /nfs/dbraw/zinc/73/85/94/573738594.db2.gz LSRYMJJJLNOREL-UHFFFAOYSA-N 0 0 179.606 2.634 10 0 AFAERN Oc1cc2c(cc1Cl)CCCC2 108295380 573738719 /nfs/dbraw/zinc/73/87/19/573738719.db2.gz UPVQEWVHLQKKIA-UHFFFAOYSA-N 0 0 182.650 2.924 10 0 AFAERN CC(=O)[C@H]1CCCCC=C1C 238073340 573738748 /nfs/dbraw/zinc/73/87/48/573738748.db2.gz HGHGFJXPHXKSTN-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN CC/C=C/C(=O)OC/C=C/CCC 308427696 573738889 /nfs/dbraw/zinc/73/88/89/573738889.db2.gz XZTHEPAQECFIRQ-KHHFIZIMSA-N 0 0 182.263 2.852 10 0 AFAERN CC(=O)C1CC2(CCCC2)C1 238075431 573738909 /nfs/dbraw/zinc/73/89/09/573738909.db2.gz UQLSSYXVRYHMQY-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ccc(C2(O)CCCC2)s1 84006774 573743132 /nfs/dbraw/zinc/74/31/32/573743132.db2.gz MZDGRQXGCUIXOO-UHFFFAOYSA-N 0 0 182.288 2.818 10 0 AFAERN Cc1ccc(C2=C[C@H](O)CC2)s1 84021276 573743139 /nfs/dbraw/zinc/74/31/39/573743139.db2.gz YKEKYVBDCVYAJA-SECBINFHSA-N 0 0 180.272 2.595 10 0 AFAERN Cc1nc(C(F)F)cc(F)c1F 238500617 573743142 /nfs/dbraw/zinc/74/31/42/573743142.db2.gz ZCGAYTYAMKZNKN-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Cc1ccc(C(C)(C)F)cc1CON 258103594 573743145 /nfs/dbraw/zinc/74/31/45/573743145.db2.gz OYEGQCPZLDOMSD-UHFFFAOYSA-N 0 0 197.253 2.590 10 0 AFAERN Cc1ccc(C2=C[C@@H](O)CCC2)s1 84021266 573743162 /nfs/dbraw/zinc/74/31/62/573743162.db2.gz MJCSAFOPPJHGFO-JTQLQIEISA-N 0 0 194.299 2.985 10 0 AFAERN CC(=O)CCc1sccc1C 87022987 573742503 /nfs/dbraw/zinc/74/25/03/573742503.db2.gz WJOQKGDEHMJAJV-UHFFFAOYSA-N 0 0 168.261 2.578 10 0 AFAERN CCC(=O)CC[C@H]1CCCC[C@H]1OC 308698110 573742513 /nfs/dbraw/zinc/74/25/13/573742513.db2.gz UGWCKQKQIHUHEW-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN Nc1csnc1-c1ccccc1F 84005573 573742515 /nfs/dbraw/zinc/74/25/15/573742515.db2.gz FPXLWBIITKZUQN-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Cc1nc(Cl)nc2cc(F)ccc12 223495982 573742529 /nfs/dbraw/zinc/74/25/29/573742529.db2.gz ARNMXEYOZFNUDM-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN CCc1ccsc1-c1cc(N)no1 87017838 573742546 /nfs/dbraw/zinc/74/25/46/573742546.db2.gz BMTWGWNFOWXLBI-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN Cc1nc(Cl)c2n1CCC[C@@H]2C 258115797 573742606 /nfs/dbraw/zinc/74/26/06/573742606.db2.gz FRHHOYRTOPIMLA-LURJTMIESA-N 0 0 184.670 2.742 10 0 AFAERN Oc1ccccc1C[C@@H]1CCSC1 257859163 573742628 /nfs/dbraw/zinc/74/26/28/573742628.db2.gz QNXJHPZNMZAHME-VIFPVBQESA-N 0 0 194.299 2.688 10 0 AFAERN Cn1cc(Cl)c2cccc(C=O)c21 108303537 573742636 /nfs/dbraw/zinc/74/26/36/573742636.db2.gz MLXXTEQXDYMYOP-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN CC(=O)C1C[C@@H]2CCCC[C@H]2C1 238075929 573742655 /nfs/dbraw/zinc/74/26/55/573742655.db2.gz KEYSNFHQYMIMIW-UWVGGRQHSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccsc1[C@@H]1CC[C@@H](O)[C@@H]1C 87023435 573742661 /nfs/dbraw/zinc/74/26/61/573742661.db2.gz WPWHWQGTGPOSIS-OPRDCNLKSA-N 0 0 196.315 2.931 10 0 AFAERN Cc1ccsc1[C@H](C)C[C@H](C)O 87023427 573742685 /nfs/dbraw/zinc/74/26/85/573742685.db2.gz HCUPXWDOAPPDFJ-BDAKNGLRSA-N 0 0 184.304 2.931 10 0 AFAERN Cc1ccsc1[C@H]1CCC(=O)C1 87022986 573742695 /nfs/dbraw/zinc/74/26/95/573742695.db2.gz MQOWPRFDPWYRKP-QMMMGPOBSA-N 0 0 180.272 2.893 10 0 AFAERN CO[C@@H]1CCC[C@H]1[C@H](C(C)=O)C(C)C 308698127 573742698 /nfs/dbraw/zinc/74/26/98/573742698.db2.gz UHMRQVIMKYZWFT-UTUOFQBUSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)[C@H]1C[C@@H](O)c2ccccc2N1 108301704 573742705 /nfs/dbraw/zinc/74/27/05/573742705.db2.gz ZGWZILKPWIDXIV-VXGBXAGGSA-N 0 0 191.274 2.560 10 0 AFAERN Cc1coc2cccc([C@@H](C)CO)c12 258103693 573742706 /nfs/dbraw/zinc/74/27/06/573742706.db2.gz OZXNEDNABSOPAW-QMMMGPOBSA-N 0 0 190.242 2.837 10 0 AFAERN Nc1csnc1-c1ccc(F)cc1 84005609 573742779 /nfs/dbraw/zinc/74/27/79/573742779.db2.gz SUDFVJSPXYNYDT-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CC(=O)N[C@@]1(C)C=CC(=C(C)C)CC1 238061472 573742793 /nfs/dbraw/zinc/74/27/93/573742793.db2.gz SDXHHBJWXARQEJ-LBPRGKRZSA-N 0 0 193.290 2.568 10 0 AFAERN Cc1nc(Cl)c2n1CCC[C@H]2C 258115799 573742835 /nfs/dbraw/zinc/74/28/35/573742835.db2.gz FRHHOYRTOPIMLA-ZCFIWIBFSA-N 0 0 184.670 2.742 10 0 AFAERN Cc1ccsc1-c1ccc(N)nc1 87018972 573742874 /nfs/dbraw/zinc/74/28/74/573742874.db2.gz ADGAGYUNDMOJPQ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccsc1C1=C[C@H](O)CC1 87023456 573742884 /nfs/dbraw/zinc/74/28/84/573742884.db2.gz FWAJSSMQPUVUIZ-SECBINFHSA-N 0 0 180.272 2.595 10 0 AFAERN CC(=O)c1cc2ccoc2c(Cl)n1 144855191 573742896 /nfs/dbraw/zinc/74/28/96/573742896.db2.gz GRIUAEATEUEJPY-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN Cc1ccc([C@H](C)C[C@@H](C)O)s1 84021238 573742918 /nfs/dbraw/zinc/74/29/18/573742918.db2.gz RITOWHJDHZHIRF-HTQZYQBOSA-N 0 0 184.304 2.931 10 0 AFAERN CO[C@@H]1CCC[C@@H]1[C@@H](C(C)=O)C(C)C 308698124 573742962 /nfs/dbraw/zinc/74/29/62/573742962.db2.gz UHMRQVIMKYZWFT-QJPTWQEYSA-N 0 0 198.306 2.663 10 0 AFAERN O[C@@H]1CCc2c(C3CC3)cccc21 87015418 573742964 /nfs/dbraw/zinc/74/29/64/573742964.db2.gz IGMZTSAXNSAYIY-GFCCVEGCSA-N 0 0 174.243 2.544 10 0 AFAERN CC(C)[C@H]1C[C@H](O)c2ccccc2N1 108301699 573743020 /nfs/dbraw/zinc/74/30/20/573743020.db2.gz ZGWZILKPWIDXIV-NEPJUHHUSA-N 0 0 191.274 2.560 10 0 AFAERN COC(C)(C)c1ccc([C@@H](C)O)cc1 258115925 573743021 /nfs/dbraw/zinc/74/30/21/573743021.db2.gz QAHNPCFSEKXEKO-SECBINFHSA-N 0 0 194.274 2.621 10 0 AFAERN C[C@H]1Nc2ccccc2CS1 238500735 573743032 /nfs/dbraw/zinc/74/30/32/573743032.db2.gz ZNKZCZIIRDCSLC-ZETCQYMHSA-N 0 0 165.261 2.691 10 0 AFAERN Cc1ccsc1[C@H](C)C[C@@H](C)O 87023423 573743060 /nfs/dbraw/zinc/74/30/60/573743060.db2.gz HCUPXWDOAPPDFJ-RKDXNWHRSA-N 0 0 184.304 2.931 10 0 AFAERN Cc1ccsc1[C@@H]1CC[C@H](O)C1 87023372 573743096 /nfs/dbraw/zinc/74/30/96/573743096.db2.gz IEIKURWMZUHCJT-BDAKNGLRSA-N 0 0 182.288 2.685 10 0 AFAERN COc1c(C)ccc(Cl)c1C(C)=O 214954166 573745800 /nfs/dbraw/zinc/74/58/00/573745800.db2.gz WYQGDRDMIYCPMP-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN Cc1cnc(C(F)F)c(C)c1 238500784 573745811 /nfs/dbraw/zinc/74/58/11/573745811.db2.gz JTEAHQPDWMWCCP-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN C[C@]12CC=C[C@H]1CCCCC2=O 238501838 573745849 /nfs/dbraw/zinc/74/58/49/573745849.db2.gz XTJLTIHBTXIKDD-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1ccc(F)c(OC2CCCC2)n1 238500666 573745856 /nfs/dbraw/zinc/74/58/56/573745856.db2.gz IAUNHPUSVMFIOR-UHFFFAOYSA-N 0 0 195.237 2.851 10 0 AFAERN COC(C)(C)C(=O)c1sccc1C 87021399 573745217 /nfs/dbraw/zinc/74/52/17/573745217.db2.gz BONZOBBKBXYYNZ-UHFFFAOYSA-N 0 0 198.287 2.664 10 0 AFAERN O=Cc1cc2c3c(c1)CC[C@@H]3CCC2 108298831 573745365 /nfs/dbraw/zinc/74/53/65/573745365.db2.gz NVRSJBRCQLPHCR-JTQLQIEISA-N 0 0 186.254 2.865 10 0 AFAERN Cc1cc(C)c(=O)c2ccc[nH]c1-2 238500726 573745389 /nfs/dbraw/zinc/74/53/89/573745389.db2.gz DQNNHDXDPBPLTC-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN Cc1ccsc1C1=C[C@H](O)CCC1 87023439 573745400 /nfs/dbraw/zinc/74/54/00/573745400.db2.gz ZQDYQQXLYINGGG-SNVBAGLBSA-N 0 0 194.299 2.985 10 0 AFAERN CC1=C[C@@H](C)Nc2ccccc2C1 238500668 573745406 /nfs/dbraw/zinc/74/54/06/573745406.db2.gz JJSHEWBPXWQIMI-SNVBAGLBSA-N 0 0 173.259 2.989 10 0 AFAERN O=Cc1cc2c3c(c1)CC[C@H]3CCC2 108298827 573745414 /nfs/dbraw/zinc/74/54/14/573745414.db2.gz NVRSJBRCQLPHCR-SNVBAGLBSA-N 0 0 186.254 2.865 10 0 AFAERN O=C1C[C@H]2CCCC[C@@H]2C[C@H]1Cl 32302967 573745469 /nfs/dbraw/zinc/74/54/69/573745469.db2.gz NPIZOQLLSPHAKE-IWSPIJDZSA-N 0 0 186.682 2.763 10 0 AFAERN Cc1ccsc1[C@@H](C)C[C@H](C)O 87023425 573745471 /nfs/dbraw/zinc/74/54/71/573745471.db2.gz HCUPXWDOAPPDFJ-IUCAKERBSA-N 0 0 184.304 2.931 10 0 AFAERN CCC[C@H](NN)c1sccc1CC 126988997 573745538 /nfs/dbraw/zinc/74/55/38/573745538.db2.gz QXHUYCZTZBSNHK-VIFPVBQESA-N 0 0 198.335 2.615 10 0 AFAERN C[C@H]1Nc2ccccc2[C@@H](C)O1 238501166 573745599 /nfs/dbraw/zinc/74/55/99/573745599.db2.gz VCSOWJYSVJEJKB-SFYZADRCSA-N 0 0 163.220 2.536 10 0 AFAERN Nc1ccc(O)cc1CC1CCCC1 257863128 573745675 /nfs/dbraw/zinc/74/56/75/573745675.db2.gz RLKHLHZGNKLDIG-UHFFFAOYSA-N 0 0 191.274 2.707 10 0 AFAERN Cc1ccc2[nH]cc3c2c1CCC3 238496888 573747746 /nfs/dbraw/zinc/74/77/46/573747746.db2.gz RGOADKJQZQYUSF-UHFFFAOYSA-N 0 0 171.243 2.965 10 0 AFAERN CC(C)OC(=O)N(C)[C@@H](C)C(C)C 127009008 573747222 /nfs/dbraw/zinc/74/72/22/573747222.db2.gz HOOXBFVYRALGMX-VIFPVBQESA-N 0 0 187.283 2.508 10 0 AFAERN COc1ccc(C)c(Cl)c1C(C)=O 214954101 573747262 /nfs/dbraw/zinc/74/72/62/573747262.db2.gz QAWBCNYFOQEGIW-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN C[C@H]1CNc2c(Cl)cccc2OC1 259174584 573747264 /nfs/dbraw/zinc/74/72/64/573747264.db2.gz JFJRSESTMZCECY-ZETCQYMHSA-N 0 0 197.665 2.780 10 0 AFAERN Cc1sc(N)nc1CC1CCCC1 258902645 573747279 /nfs/dbraw/zinc/74/72/79/573747279.db2.gz VCXOMCOAQCWFNA-UHFFFAOYSA-N 0 0 196.319 2.766 10 0 AFAERN COc1cc(C)c(Cl)c(C(C)=O)c1 214953884 573747284 /nfs/dbraw/zinc/74/72/84/573747284.db2.gz GKUZIRKUKIUJOT-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN Cc1cc(C)c2c(N)c(C)ccc2n1 238497461 573747369 /nfs/dbraw/zinc/74/73/69/573747369.db2.gz QMRJRGONSFINRR-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN C[C@H]1C[C@@H](C)c2cc(N)ccc21 238496610 573747428 /nfs/dbraw/zinc/74/74/28/573747428.db2.gz LFGFOJJJPRKKFD-JGVFFNPUSA-N 0 0 161.248 2.880 10 0 AFAERN CCn1ccc2ccc([C@@H](C)O)cc21 257862544 573747452 /nfs/dbraw/zinc/74/74/52/573747452.db2.gz HARUHXFSOYWIIT-SECBINFHSA-N 0 0 189.258 2.715 10 0 AFAERN C/C=C/c1ccccc1C[C@H](C)O 238067989 573747572 /nfs/dbraw/zinc/74/75/72/573747572.db2.gz ZLNOEODHDPOXAN-YVGDHZEHSA-N 0 0 176.259 2.643 10 0 AFAERN CCC[C@H](CCC1CCCCC1)NN 127010598 573747587 /nfs/dbraw/zinc/74/75/87/573747587.db2.gz SCIVKQFVIDWYBG-GFCCVEGCSA-N 0 0 198.354 2.979 10 0 AFAERN CO[C@@H]1CCCC[C@H]1[C@@H](C)CC(C)=O 308701397 573747611 /nfs/dbraw/zinc/74/76/11/573747611.db2.gz VCDXIVWVRZATQD-ZMLRMANQSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(CC)Nc1ccnc(OC)c1 127042391 573747618 /nfs/dbraw/zinc/74/76/18/573747618.db2.gz UMZHASJUOTVHEY-UHFFFAOYSA-N 0 0 194.278 2.691 10 0 AFAERN Cc1ccc2c3c1NC[C@@H]3CCC2 238496639 573747621 /nfs/dbraw/zinc/74/76/21/573747621.db2.gz CTKZNMZNNQMLBN-JTQLQIEISA-N 0 0 173.259 2.840 10 0 AFAERN COc1cc(C(C)=O)cc(C)c1Cl 214953809 573747700 /nfs/dbraw/zinc/74/77/00/573747700.db2.gz LIWMNTNTVHCVJL-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN Nc1ccc([C@H]2CCCSC2)cc1 257863753 573747718 /nfs/dbraw/zinc/74/77/18/573747718.db2.gz RNQZLSUVZVPTKH-JTQLQIEISA-N 0 0 193.315 2.879 10 0 AFAERN CC(C)Nc1ccc(N)c(Cl)c1 79129803 573747045 /nfs/dbraw/zinc/74/70/45/573747045.db2.gz JVELPQGVGDFXLR-UHFFFAOYSA-N 0 0 184.670 2.743 10 0 AFAERN Cc1cc2c(C)c[nH]c2cc1F 238497989 573749964 /nfs/dbraw/zinc/74/99/64/573749964.db2.gz IYHNXYQQLPEPBZ-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN Cc1c(F)cnc(F)c1C(F)F 238496966 573750009 /nfs/dbraw/zinc/75/00/09/573750009.db2.gz ZIWKECWGKJPCEV-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN CCC[C@H](O)[C@H]1CCCCCCC1=O 143349078 573750032 /nfs/dbraw/zinc/75/00/32/573750032.db2.gz ROCVJKLXBTZCJG-MNOVXSKESA-N 0 0 198.306 2.687 10 0 AFAERN C[C@]12C=CCC[C@H]1CCCC2=O 238498329 573750036 /nfs/dbraw/zinc/75/00/36/573750036.db2.gz JTWNOHYBBIKOOX-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1ccccc1-c1oc(N)nc1C 257864525 573750165 /nfs/dbraw/zinc/75/01/65/573750165.db2.gz RSVMUZXWTUHAAK-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN OCC[C@@H]1CC=C(C(F)(F)F)CC1 108303649 573750168 /nfs/dbraw/zinc/75/01/68/573750168.db2.gz JHVMYUJCXXRRGA-SSDOTTSWSA-N 0 0 194.196 2.658 10 0 AFAERN C/C=C/c1ccccc1C[C@@H](C)O 238067963 573750196 /nfs/dbraw/zinc/75/01/96/573750196.db2.gz ZLNOEODHDPOXAN-QLCVYAKKSA-N 0 0 176.259 2.643 10 0 AFAERN CC(C)(O)c1cccc2c1CCS2 258116242 573750204 /nfs/dbraw/zinc/75/02/04/573750204.db2.gz QFOWUAPHKMTYEA-UHFFFAOYSA-N 0 0 194.299 2.562 10 0 AFAERN Cc1ccc2c3c1[C@@H](O)C[C@H]3CCC2 238496619 573750211 /nfs/dbraw/zinc/75/02/11/573750211.db2.gz MJCUPXMFACZDKT-MNOVXSKESA-N 0 0 188.270 2.852 10 0 AFAERN CC(C)CCNc1ccc(N)c(F)c1 258904181 573750231 /nfs/dbraw/zinc/75/02/31/573750231.db2.gz GTQOPIDWZNMHLR-UHFFFAOYSA-N 0 0 196.269 2.866 10 0 AFAERN CC(C)=CC[C@@H]1C[C@H](C)CC1=O 238497716 573750232 /nfs/dbraw/zinc/75/02/32/573750232.db2.gz VWWLVOAVCJBVOC-VHSXEESVSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)(C)c1ccc([C@@H](F)CO)cc1 108306378 573750287 /nfs/dbraw/zinc/75/02/87/573750287.db2.gz CAHZVUOZVXXJTL-NSHDSACASA-N 0 0 196.265 2.987 10 0 AFAERN Cc1ccc2c3c1[C@H](O)C[C@H]3CCC2 238496599 573750325 /nfs/dbraw/zinc/75/03/25/573750325.db2.gz MJCUPXMFACZDKT-GHMZBOCLSA-N 0 0 188.270 2.852 10 0 AFAERN CC(=O)c1ccc(OC2CC2)cc1F 238067364 573750329 /nfs/dbraw/zinc/75/03/29/573750329.db2.gz GMGLFXACASNYFB-UHFFFAOYSA-N 0 0 194.205 2.570 10 0 AFAERN Cc1ccc(Cl)cc1CC1(O)CC1 258116237 573750361 /nfs/dbraw/zinc/75/03/61/573750361.db2.gz QFJYFKFQJPRRLI-UHFFFAOYSA-N 0 0 196.677 2.716 10 0 AFAERN CCC[C@@H](C1CCCC1)[C@H](C)O 313418183 573750378 /nfs/dbraw/zinc/75/03/78/573750378.db2.gz OMARVMUYEAQHQX-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN Fc1ncccc1[C@@H]1CCCOCC1 143335758 573750380 /nfs/dbraw/zinc/75/03/80/573750380.db2.gz HIULQSCOIRFFSL-SECBINFHSA-N 0 0 195.237 2.505 10 0 AFAERN O=Cc1ccn2c3c(cc2c1)CCCC3 74215130 573750389 /nfs/dbraw/zinc/75/03/89/573750389.db2.gz DJGAPKFGMDROQW-UHFFFAOYSA-N 0 0 199.253 2.631 10 0 AFAERN C=CS/C=C\Cl 215836450 573750438 /nfs/dbraw/zinc/75/04/38/573750438.db2.gz TXJYIPYHDAQONO-ARJAWSKDSA-N 0 0 120.604 2.573 10 0 AFAERN CCC[C@@H](NN)c1ccccc1CC 127039592 573750518 /nfs/dbraw/zinc/75/05/18/573750518.db2.gz GKWOQUJECOEMOH-GFCCVEGCSA-N 0 0 192.306 2.554 10 0 AFAERN COc1c(Cl)cc(C)c(C)c1C=O 108310602 573750522 /nfs/dbraw/zinc/75/05/22/573750522.db2.gz HEZFDPDBKSXBCO-UHFFFAOYSA-N 0 0 198.649 2.778 10 0 AFAERN CC(C)(C)c1ccc(F)c(N)c1 143348164 573750591 /nfs/dbraw/zinc/75/05/91/573750591.db2.gz AFINZAYKWQJCFI-UHFFFAOYSA-N 0 0 167.227 2.705 10 0 AFAERN C[C@@H](O)Cc1ccccc1C(C)(C)F 258116192 573750608 /nfs/dbraw/zinc/75/06/08/573750608.db2.gz QETAUJRLEVXBKY-SECBINFHSA-N 0 0 196.265 2.815 10 0 AFAERN OCCC1CCC(C(F)(F)F)CC1 108306176 573750621 /nfs/dbraw/zinc/75/06/21/573750621.db2.gz PHWNSXBGJASUNP-UHFFFAOYSA-N 0 0 196.212 2.738 10 0 AFAERN CC(=O)[C@@H]1Cc2ccc(Cl)cc2C1 108304386 573750632 /nfs/dbraw/zinc/75/06/32/573750632.db2.gz PJSPXJDYPHJHNW-SECBINFHSA-N 0 0 194.661 2.644 10 0 AFAERN CC(=O)c1ccc(C2(C)CC2)cc1 238065904 573750671 /nfs/dbraw/zinc/75/06/71/573750671.db2.gz PCXMWIMJQUHXKX-UHFFFAOYSA-N 0 0 174.243 2.941 10 0 AFAERN Cc1nc2cccc3ccc(N)c([nH]1)c32 33829431 573750682 /nfs/dbraw/zinc/75/06/82/573750682.db2.gz YAVHVQDUXVSZOL-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN CCC[C@H](NN)c1ccccc1CC 127039349 573750711 /nfs/dbraw/zinc/75/07/11/573750711.db2.gz GKWOQUJECOEMOH-LBPRGKRZSA-N 0 0 192.306 2.554 10 0 AFAERN O=Cc1cccn2c3c(cc12)CCCC3 74215125 573750713 /nfs/dbraw/zinc/75/07/13/573750713.db2.gz VVTAZCDEXVYWEF-UHFFFAOYSA-N 0 0 199.253 2.631 10 0 AFAERN CCCCC[C@H]1NC(=O)C1(CC)CC 308705320 573750720 /nfs/dbraw/zinc/75/07/20/573750720.db2.gz WPSVINFTCHFJRO-SNVBAGLBSA-N 0 0 197.322 2.872 10 0 AFAERN CCC[C@H](CC)C(=O)CC 143340402 573754052 /nfs/dbraw/zinc/75/40/52/573754052.db2.gz NUXBVHVQVWGZIT-QMMMGPOBSA-N 0 0 142.242 2.792 10 0 AFAERN C=Cc1cc2ccc(=O)cc-2[nH]c1C 238498358 573754058 /nfs/dbraw/zinc/75/40/58/573754058.db2.gz VQALXCCSJGEZEF-UHFFFAOYSA-N 0 0 185.226 2.892 10 0 AFAERN CC(=O)[C@H]1C(C)=Cc2ccccc21 238068365 573754099 /nfs/dbraw/zinc/75/40/99/573754099.db2.gz AIXFCOLEKGGDGG-GFCCVEGCSA-N 0 0 172.227 2.776 10 0 AFAERN CCC(C)(C)[C@H](NN)C1CCCCC1 126975172 573753245 /nfs/dbraw/zinc/75/32/45/573753245.db2.gz KIOIQKDHMPHAQI-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1cc2c(cc1C)N[C@H](C)[C@@H](C)N2 238499551 573753294 /nfs/dbraw/zinc/75/32/94/573753294.db2.gz KEJRUPUTECWBKE-NXEZZACHSA-N 0 0 190.290 2.918 10 0 AFAERN CC(C)Sc1ccccc1CCO 257864790 573753333 /nfs/dbraw/zinc/75/33/33/573753333.db2.gz WPCZGZLJFCJYQK-UHFFFAOYSA-N 0 0 196.315 2.722 10 0 AFAERN Cc1cc(CF)cc(F)c1F 143326484 573753358 /nfs/dbraw/zinc/75/33/58/573753358.db2.gz QZAJZHQJHPXODU-UHFFFAOYSA-N 0 0 160.138 2.743 10 0 AFAERN CC(=O)[C@H]1CC[C@H]1c1ccccc1 238078489 573753377 /nfs/dbraw/zinc/75/33/77/573753377.db2.gz WQNMMZDHUKCFHT-NEPJUHHUSA-N 0 0 174.243 2.769 10 0 AFAERN O=Cc1oc2ccc(Cl)cc2c1[O-] 108307501 573753394 /nfs/dbraw/zinc/75/33/94/573753394.db2.gz WWCHRXLGXMWBOI-UHFFFAOYSA-N 0 0 196.589 2.604 10 0 AFAERN Cc1cc(C)c2nc(C)c(N)cc2c1 238499625 573753425 /nfs/dbraw/zinc/75/34/25/573753425.db2.gz CIJQIYLFWKAMIM-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN CCC(=O)C1(OC)CCC(C)CC1 122468983 573753497 /nfs/dbraw/zinc/75/34/97/573753497.db2.gz FXGHATKYXOOJNE-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN OCC[C@H]1CCC[C@@H](C(F)(F)F)C1 108306164 573753520 /nfs/dbraw/zinc/75/35/20/573753520.db2.gz XUVSAOCLDJRLQG-HTQZYQBOSA-N 0 0 196.212 2.738 10 0 AFAERN CC(=O)C[C@H]1CCC[C@H]1C(F)(F)F 108303661 573753529 /nfs/dbraw/zinc/75/35/29/573753529.db2.gz OZBSTEGQDNYPKW-HTQZYQBOSA-N 0 0 194.196 2.944 10 0 AFAERN CC(=O)[C@H]1CC[C@H]2C[C@@H]1C2(C)C 238078608 573753596 /nfs/dbraw/zinc/75/35/96/573753596.db2.gz HHCJPBOHNATHFF-AEJSXWLSSA-N 0 0 166.264 2.648 10 0 AFAERN C=C=C1CC[C@@H]2CCC(=O)C[C@]12C 238499457 573753605 /nfs/dbraw/zinc/75/36/05/573753605.db2.gz RVJXIRRKZTUWPX-ZYHUDNBSSA-N 0 0 176.259 2.867 10 0 AFAERN C[S@@](=O)c1cccc2sccc12 238499636 573753657 /nfs/dbraw/zinc/75/36/57/573753657.db2.gz RPLXHALPONMKAR-GFCCVEGCSA-N 0 0 196.296 2.639 10 0 AFAERN Cc1sc2c(c1C)C(=O)CCCN2 238499346 573753770 /nfs/dbraw/zinc/75/37/70/573753770.db2.gz POMQVVKZYBCIDL-UHFFFAOYSA-N 0 0 195.287 2.753 10 0 AFAERN Cc1ccc(Cl)c2cc(CO)oc12 84058572 573753861 /nfs/dbraw/zinc/75/38/61/573753861.db2.gz DQKMRCMEHKFGTN-UHFFFAOYSA-N 0 0 196.633 2.887 10 0 AFAERN Cc1nc(-c2ccccc2C)c[nH]1 238498841 573753869 /nfs/dbraw/zinc/75/38/69/573753869.db2.gz NSGCKNCENASTPI-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CC(=O)c1ccc([C@H]2C[C@H]2F)cc1 238068509 573753872 /nfs/dbraw/zinc/75/38/72/573753872.db2.gz BEBWVMFVFWGOCZ-GHMZBOCLSA-N 0 0 178.206 2.715 10 0 AFAERN CSc1ccc([C@H](C)O)cc1C 258116176 573753886 /nfs/dbraw/zinc/75/38/86/573753886.db2.gz QEGDIWDNIDRGSD-QMMMGPOBSA-N 0 0 182.288 2.770 10 0 AFAERN C=C=C1CC[C@H]2CCC(=O)C[C@]12C 238499413 573753925 /nfs/dbraw/zinc/75/39/25/573753925.db2.gz RVJXIRRKZTUWPX-CMPLNLGQSA-N 0 0 176.259 2.867 10 0 AFAERN Cc1cc(Cl)c(N)c(C(F)F)n1 238498652 573753978 /nfs/dbraw/zinc/75/39/78/573753978.db2.gz MQZXYEWJFKGBBE-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC(=O)[C@H]1CC[C@H]1C(C)(C)C 238078429 573753979 /nfs/dbraw/zinc/75/39/79/573753979.db2.gz RYGUKPSYKPQGKZ-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc(C)c(S[C@@H](C)CO)c1 143443985 573753981 /nfs/dbraw/zinc/75/39/81/573753981.db2.gz MJMAOUGSNCJFQU-JTQLQIEISA-N 0 0 196.315 2.776 10 0 AFAERN CC(=O)[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C 238068707 573754007 /nfs/dbraw/zinc/75/40/07/573754007.db2.gz ILLWTAHQGCZDOU-MXWKQRLJSA-N 0 0 178.275 2.814 10 0 AFAERN C/C=C/c1ccccc1NC(C)=O 238068033 573754022 /nfs/dbraw/zinc/75/40/22/573754022.db2.gz MBOAQYOVJDPKMN-ZZXKWVIFSA-N 0 0 175.231 2.678 10 0 AFAERN Cc1nc(C(F)F)ccc1CF 238505172 573759961 /nfs/dbraw/zinc/75/99/61/573759961.db2.gz XYQSPPXBNLPVNO-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN Cc1cccc([C@@H]2CCC(=O)C2)c1O 238505886 573759966 /nfs/dbraw/zinc/75/99/66/573759966.db2.gz WZKGVIWPHIBXRX-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN O=C1CCC[C@@H]1c1ncccc1Cl 238506700 573760027 /nfs/dbraw/zinc/76/00/27/573760027.db2.gz BSSQGPMSNHMTEY-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN COCCCC[C@H]1C[C@H](C)CCC1=O 130980249 573760039 /nfs/dbraw/zinc/76/00/39/573760039.db2.gz AMKQDLBLNDHLPJ-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CC(=O)c1oc(C)c2c1CCC=C2 238077863 573760137 /nfs/dbraw/zinc/76/01/37/573760137.db2.gz TYJXLXLWKHZOLV-UHFFFAOYSA-N 0 0 176.215 2.750 10 0 AFAERN CCCCNC(=O)OCC1CCCC1 203123643 573760259 /nfs/dbraw/zinc/76/02/59/573760259.db2.gz OGPLHEBFSKPLJO-UHFFFAOYSA-N 0 0 199.294 2.703 10 0 AFAERN CSc1cc(C2(O)CC2)ccc1C 258121206 573760263 /nfs/dbraw/zinc/76/02/63/573760263.db2.gz QQOBFZFUCQEFCX-UHFFFAOYSA-N 0 0 194.299 2.698 10 0 AFAERN Cc1cccc([C@@H]2CCCC2=O)c1F 238506441 573760281 /nfs/dbraw/zinc/76/02/81/573760281.db2.gz CNAKLNHMRQMESM-VIFPVBQESA-N 0 0 192.233 2.971 10 0 AFAERN Cc1cc2c(CCO)cccc2s1 258120810 573760299 /nfs/dbraw/zinc/76/02/99/573760299.db2.gz PDMYTXUPDPZISL-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN C[C@]12CCC=C[C@@H]1CCC[C@@H]2O 238505405 573760352 /nfs/dbraw/zinc/76/03/52/573760352.db2.gz KTJLNRYKYCWVGO-VWYCJHECSA-N 0 0 166.264 2.504 10 0 AFAERN Cc1cc([C@@H]2CCC(=O)C2)ccc1O 238505772 573760359 /nfs/dbraw/zinc/76/03/59/573760359.db2.gz NHMHQCVBRAARRZ-SNVBAGLBSA-N 0 0 190.242 2.537 10 0 AFAERN O=C1CC[C@@H]2CCCC[C@@]12Cl 238505674 573760436 /nfs/dbraw/zinc/76/04/36/573760436.db2.gz ZISYSVSNAMPDHO-CBAPKCEASA-N 0 0 172.655 2.517 10 0 AFAERN CC(C)[C@@H]1Cc2ccc(F)cc2N1 108334882 573760539 /nfs/dbraw/zinc/76/05/39/573760539.db2.gz YUOOPQRZTBRGHD-JTQLQIEISA-N 0 0 179.238 2.818 10 0 AFAERN O=Cc1cc2cc(F)cc(Cl)c2[nH]1 257869042 573760555 /nfs/dbraw/zinc/76/05/55/573760555.db2.gz SRBKWDVXVAPNAI-UHFFFAOYSA-N 0 0 197.596 2.773 10 0 AFAERN Cc1cc(C(F)F)c(F)c(C)n1 238505751 573760565 /nfs/dbraw/zinc/76/05/65/573760565.db2.gz KQJDHCBLQMDPNL-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Cc1nc(C(F)F)ccc1Cl 238505240 573760571 /nfs/dbraw/zinc/76/05/71/573760571.db2.gz CFMFRWYTAWFFBJ-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN Nc1ccc(-c2ccsc2)cc1O 143421450 573760572 /nfs/dbraw/zinc/76/05/72/573760572.db2.gz XZZLNENCQXOMAA-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN Cc1cc(C(F)F)c(F)c(F)n1 238505938 573760611 /nfs/dbraw/zinc/76/06/11/573760611.db2.gz UAHQYMLTPVCPCE-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Nc1cccc(N[C@@H]2CC=CCC2)c1 84066339 573763640 /nfs/dbraw/zinc/76/36/40/573763640.db2.gz AJOLGCRMFUYDBE-LLVKDONJSA-N 0 0 188.274 2.789 10 0 AFAERN C[C@@H](O)C(F)(F)CC1CCCCC1 257869035 573763656 /nfs/dbraw/zinc/76/36/56/573763656.db2.gz SQRJPKICIQKELH-MRVPVSSYSA-N 0 0 192.249 2.973 10 0 AFAERN Fc1cccc2c1N[C@H](C1CC1)C2 108334671 573763665 /nfs/dbraw/zinc/76/36/65/573763665.db2.gz KLPQCLRECITWTP-JTQLQIEISA-N 0 0 177.222 2.572 10 0 AFAERN Cc1ccc(N[C@H]2CC=CCC2)nc1 84080469 573763672 /nfs/dbraw/zinc/76/36/72/573763672.db2.gz LAYGBSRVDRGQPX-NSHDSACASA-N 0 0 188.274 2.911 10 0 AFAERN CC(=O)CC1(Cl)CCCCC1 238088382 573763685 /nfs/dbraw/zinc/76/36/85/573763685.db2.gz ZEZQJTXDEOLIQK-UHFFFAOYSA-N 0 0 174.671 2.907 10 0 AFAERN CC(C)SCc1ccc(N)c(O)c1 257868855 573763785 /nfs/dbraw/zinc/76/37/85/573763785.db2.gz ABMICSSLVNPRNP-UHFFFAOYSA-N 0 0 197.303 2.616 10 0 AFAERN CC(C)[C@@H]1Cc2c(F)cccc2N1 108334887 573763834 /nfs/dbraw/zinc/76/38/34/573763834.db2.gz OMOCSVCTFYNKRZ-NSHDSACASA-N 0 0 179.238 2.818 10 0 AFAERN Nc1cccc(N[C@H]2CC=CCC2)c1 84066338 573763976 /nfs/dbraw/zinc/76/39/76/573763976.db2.gz AJOLGCRMFUYDBE-NSHDSACASA-N 0 0 188.274 2.789 10 0 AFAERN Cc1cccnc1N[C@H]1CC=CCC1 84080435 573763983 /nfs/dbraw/zinc/76/39/83/573763983.db2.gz KAVMZOYDQHRTSJ-NSHDSACASA-N 0 0 188.274 2.911 10 0 AFAERN CC(C)OCc1ccc(N)c(Cl)c1 258122632 573764003 /nfs/dbraw/zinc/76/40/03/573764003.db2.gz MUGWZUSFYSQMBG-UHFFFAOYSA-N 0 0 199.681 2.847 10 0 AFAERN Cc1cc(C)cc(-c2cnoc2)c1 238507775 573764170 /nfs/dbraw/zinc/76/41/70/573764170.db2.gz DOPIMQILXIHRRN-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CC[C@@H]1Cc2c(F)cccc2N1 108332096 573764252 /nfs/dbraw/zinc/76/42/52/573764252.db2.gz TYAVGTAMWYYSEC-SSDOTTSWSA-N 0 0 165.211 2.572 10 0 AFAERN Fc1ccc2c(c1)N[C@@H](C1CC1)C2 108334678 573764290 /nfs/dbraw/zinc/76/42/90/573764290.db2.gz WTVRMVHSOPQKCA-SNVBAGLBSA-N 0 0 177.222 2.572 10 0 AFAERN Cc1cc(O)cc2cc(C)n(C)c12 238508288 573764292 /nfs/dbraw/zinc/76/42/92/573764292.db2.gz FOZSYKNFMSIZPA-UHFFFAOYSA-N 0 0 175.231 2.501 10 0 AFAERN Cc1csc(N[C@H]2CC=CCC2)n1 84080427 573764293 /nfs/dbraw/zinc/76/42/93/573764293.db2.gz MAADECMQJCENPJ-VIFPVBQESA-N 0 0 194.303 2.972 10 0 AFAERN Fc1ccc2c(c1)C[C@@H](C1CC1)N2 108334684 573764305 /nfs/dbraw/zinc/76/43/05/573764305.db2.gz CLMJPLLBTVEOPS-NSHDSACASA-N 0 0 177.222 2.572 10 0 AFAERN COCc1cc2cccc(N)c2s1 257869522 573764319 /nfs/dbraw/zinc/76/43/19/573764319.db2.gz HTNIXORHRXBCIC-UHFFFAOYSA-N 0 0 193.271 2.630 10 0 AFAERN Cc1cc(C(F)F)c(=O)[nH]c1Cl 238510177 573767160 /nfs/dbraw/zinc/76/71/60/573767160.db2.gz VNPVEWDCYOPIPL-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1cnc(C(F)F)cc1CF 238509616 573767261 /nfs/dbraw/zinc/76/72/61/573767261.db2.gz WBTUXNUYEQWJJD-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CC(=O)C(F)(F)Cc1cccc(C)c1 257871939 573767276 /nfs/dbraw/zinc/76/72/76/573767276.db2.gz QNMSKMOQDUDIEF-UHFFFAOYSA-N 0 0 198.212 2.762 10 0 AFAERN C[C@@](F)(CO)c1ccccc1Cl 257870474 573767288 /nfs/dbraw/zinc/76/72/88/573767288.db2.gz YAGIFJPWLSLOQL-SECBINFHSA-N 0 0 188.629 2.517 10 0 AFAERN CC(C)C[C@@H](CC1(C)CCCC1)NN 308713105 573767292 /nfs/dbraw/zinc/76/72/92/573767292.db2.gz ZVCUWKQMHSPDGT-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN C[C@H](C[C@@H](O)C1=COCC1)C(C)(C)C 308711590 573767355 /nfs/dbraw/zinc/76/73/55/573767355.db2.gz ZANXQSYTDBECBV-MWLCHTKSSA-N 0 0 198.306 2.724 10 0 AFAERN CC(=O)CCC(C)=C1C=CC=C1 238092833 573767369 /nfs/dbraw/zinc/76/73/69/573767369.db2.gz PCROBGVKBLOIOY-UHFFFAOYSA-N 0 0 162.232 2.798 10 0 AFAERN Cc1csc2nc3c(n12)CCCC3 76095305 573767378 /nfs/dbraw/zinc/76/73/78/573767378.db2.gz YPPPLIVWLGYPKE-UHFFFAOYSA-N 0 0 192.287 2.583 10 0 AFAERN O=C1CCC[C@H]1c1cnccc1Cl 238508549 573767425 /nfs/dbraw/zinc/76/74/25/573767425.db2.gz FSYJPRNKELZMDF-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN c1cc(OC2CC2)c2cnccc2c1 238092769 573767426 /nfs/dbraw/zinc/76/74/26/573767426.db2.gz CRVIMVRHFFYMQM-UHFFFAOYSA-N 0 0 185.226 2.776 10 0 AFAERN C[C@]12CC[C@]34CCC[C@@]3(C(=O)C1)[C@H]24 238509435 573767462 /nfs/dbraw/zinc/76/74/62/573767462.db2.gz SZEVKMPPAUYIPY-NOOOWODRSA-N 0 0 176.259 2.546 10 0 AFAERN CC[C@H]1CC[C@H]([C@@H](O)CC)C1 122566029 573767468 /nfs/dbraw/zinc/76/74/68/573767468.db2.gz WQQQRNUNUXRBPJ-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H]1CCC[C@@H]([C@@H](O)CC)C1 122561496 573767549 /nfs/dbraw/zinc/76/75/49/573767549.db2.gz CQPJANURLUDNPL-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc2c([C@@H](C)O)cccc2n1C 258124635 573767583 /nfs/dbraw/zinc/76/75/83/573767583.db2.gz PHGKDUBFXXBHJV-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CC(=O)Nc1cccc2occ(C)c12 238092929 573767584 /nfs/dbraw/zinc/76/75/84/573767584.db2.gz FMMCCSSYCBOQLU-UHFFFAOYSA-N 0 0 189.214 2.700 10 0 AFAERN Fc1cccc2c1C[C@@H](C1CCC1)N2 108340696 573767604 /nfs/dbraw/zinc/76/76/04/573767604.db2.gz HQNJWSVCQJVUEL-LBPRGKRZSA-N 0 0 191.249 2.962 10 0 AFAERN Clc1cnccc1Cn1cccc1 84088290 573767634 /nfs/dbraw/zinc/76/76/34/573767634.db2.gz WNKMHXAPIYYWTR-UHFFFAOYSA-N 0 0 192.649 2.585 10 0 AFAERN CC(=O)CCCN(C)c1cccs1 258926208 573767676 /nfs/dbraw/zinc/76/76/76/573767676.db2.gz OLEPFXVMAISVGG-UHFFFAOYSA-N 0 0 197.303 2.554 10 0 AFAERN Cc1ccc(N)c(C[Si](C)(C)C)c1 238509270 573767678 /nfs/dbraw/zinc/76/76/78/573767678.db2.gz AGVHSJYWZKALTB-UHFFFAOYSA-N 0 0 193.366 2.997 10 0 AFAERN CC[C@H](O)[C@H]1CC[C@@H](CC)C1 122565797 573767775 /nfs/dbraw/zinc/76/77/75/573767775.db2.gz WQQQRNUNUXRBPJ-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN CO[C@H]1CCC[C@@H]1C(C)(C)CC(C)=O 308713184 573767813 /nfs/dbraw/zinc/76/78/13/573767813.db2.gz ZWXFKEBTYUHGJY-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN CCn1ccc2c([C@H](C)O)cccc21 257872663 573767877 /nfs/dbraw/zinc/76/78/77/573767877.db2.gz IMFFWIVPDXZGRV-VIFPVBQESA-N 0 0 189.258 2.715 10 0 AFAERN c1ccc2c(OC3CC3)ccnc2c1 238093297 573767880 /nfs/dbraw/zinc/76/78/80/573767880.db2.gz BDTUZWXCAFPDLS-UHFFFAOYSA-N 0 0 185.226 2.776 10 0 AFAERN COCCc1csc(C2CCC2)n1 308434733 573767909 /nfs/dbraw/zinc/76/79/09/573767909.db2.gz VLRXHHUYIPVMFS-UHFFFAOYSA-N 0 0 197.303 2.600 10 0 AFAERN O=C1CC[C@H](c2cnccc2Cl)C1 238508735 573767918 /nfs/dbraw/zinc/76/79/18/573767918.db2.gz AZGQNANBWFZSGJ-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1cc2ccc(F)c(F)c2[nH]1 238510137 573767929 /nfs/dbraw/zinc/76/79/29/573767929.db2.gz BBXGRRQEOADSCX-UHFFFAOYSA-N 0 0 167.158 2.755 10 0 AFAERN Cc1cnc(C(F)F)cc1C 238509348 573770191 /nfs/dbraw/zinc/77/01/91/573770191.db2.gz FSUZUHKQGCTQOB-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN c1ccc(-n2cc(C3CC3)cn2)cc1 238097113 573770286 /nfs/dbraw/zinc/77/02/86/573770286.db2.gz XSKGECCNTKZXHM-UHFFFAOYSA-N 0 0 184.242 2.750 10 0 AFAERN CCC[C@H](O)[C@@H]1CCC[C@@H](C)C1 122582858 573770317 /nfs/dbraw/zinc/77/03/17/573770317.db2.gz LTMILXSKXLCKJU-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN Clc1ccncc1-n1cccc1 238509024 573770321 /nfs/dbraw/zinc/77/03/21/573770321.db2.gz ABTBDCYVAHQRHU-UHFFFAOYSA-N 0 0 178.622 2.526 10 0 AFAERN Cc1cccc(-c2cn(C)cc2N)c1 257870350 573770396 /nfs/dbraw/zinc/77/03/96/573770396.db2.gz ALUBORQSNILDMF-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN C=Cc1nc2cc(C)ccc2[nH]1 238509194 573770461 /nfs/dbraw/zinc/77/04/61/573770461.db2.gz ATDGWPSERPJAMA-UHFFFAOYSA-N 0 0 158.204 2.514 10 0 AFAERN OC1([C@@H]2[C@H]3CCCC[C@H]32)CCCC1 100074073 573770531 /nfs/dbraw/zinc/77/05/31/573770531.db2.gz HTKKCPGRVYPSDF-URLYPYJESA-N 0 0 180.291 2.728 10 0 AFAERN CCCS[C@@H]1CCCCC[C@@H]1O 84083003 573770555 /nfs/dbraw/zinc/77/05/55/573770555.db2.gz YNACNHLZOWIMSA-VHSXEESVSA-N 0 0 188.336 2.823 10 0 AFAERN CC(C)c1cccc([C@](C)(F)CO)c1 257871889 573770567 /nfs/dbraw/zinc/77/05/67/573770567.db2.gz YKHHBSYFOYOOSM-GFCCVEGCSA-N 0 0 196.265 2.987 10 0 AFAERN Cc1ccsc1[C@]1(CO)CC1(C)C 258932783 573770572 /nfs/dbraw/zinc/77/05/72/573770572.db2.gz BBGGZDPPUHBYTG-LLVKDONJSA-N 0 0 196.315 2.717 10 0 AFAERN Nc1cc(Cl)nc(C2CCCC2)c1 257872370 573770599 /nfs/dbraw/zinc/77/05/99/573770599.db2.gz TWRDDUPYBUCYCZ-UHFFFAOYSA-N 0 0 196.681 2.975 10 0 AFAERN CCSCc1ccc(C)c(N)c1 258125854 573770661 /nfs/dbraw/zinc/77/06/61/573770661.db2.gz NAXOHQLNNIEAPV-UHFFFAOYSA-N 0 0 181.304 2.830 10 0 AFAERN CO[C@H]1CCNc2cccc(Cl)c21 257870344 573770762 /nfs/dbraw/zinc/77/07/62/573770762.db2.gz SXHVZBLGLTUUSG-VIFPVBQESA-N 0 0 197.665 2.843 10 0 AFAERN CO[C@H]1CCC[C@H]1C(C)(C)CC(C)=O 308713183 573770776 /nfs/dbraw/zinc/77/07/76/573770776.db2.gz ZWXFKEBTYUHGJY-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN CCCC[C@@H](CC)[C@@H](O)C1=COCC1 308710710 573770782 /nfs/dbraw/zinc/77/07/82/573770782.db2.gz YPPZNMOSZFXPFX-ZYHUDNBSSA-N 0 0 198.306 2.868 10 0 AFAERN C[C@@H]1CCCn2c1cnc2C1CC1 258125302 573770810 /nfs/dbraw/zinc/77/08/10/573770810.db2.gz CPAXIUOUIPIVDD-MRVPVSSYSA-N 0 0 176.263 2.658 10 0 AFAERN CC(C)S[C@@H]1CCCCC[C@@H]1O 84083108 573770811 /nfs/dbraw/zinc/77/08/11/573770811.db2.gz YLJKZUASEADSSV-VHSXEESVSA-N 0 0 188.336 2.822 10 0 AFAERN CC(C)Cc1onc2ccc(N)cc12 257872507 573770833 /nfs/dbraw/zinc/77/08/33/573770833.db2.gz TZBLAVKEWLJWMJ-UHFFFAOYSA-N 0 0 190.246 2.609 10 0 AFAERN CCCC[C@@H](CC)[C@H](O)C1=COCC1 308710709 573770883 /nfs/dbraw/zinc/77/08/83/573770883.db2.gz YPPZNMOSZFXPFX-PWSUYJOCSA-N 0 0 198.306 2.868 10 0 AFAERN Fc1ccc2c(c1)N[C@@H](C1CCC1)C2 108340685 573770888 /nfs/dbraw/zinc/77/08/88/573770888.db2.gz BWPQYMJWKUXESI-LLVKDONJSA-N 0 0 191.249 2.962 10 0 AFAERN CC(C)(C)c1cc(N)nn1C(C)(C)C 257871358 573770908 /nfs/dbraw/zinc/77/09/08/573770908.db2.gz TUCJQZWYRXXBDL-UHFFFAOYSA-N 0 0 195.310 2.518 10 0 AFAERN Clc1ccc2c(c1)-c1nc[nH]c1C2 238509704 573770932 /nfs/dbraw/zinc/77/09/32/573770932.db2.gz CXOQYJGSYDTBHI-UHFFFAOYSA-N 0 0 190.633 2.634 10 0 AFAERN CCCS[C@H]1CCCCC[C@@H]1O 84083004 573770934 /nfs/dbraw/zinc/77/09/34/573770934.db2.gz YNACNHLZOWIMSA-UWVGGRQHSA-N 0 0 188.336 2.823 10 0 AFAERN CCCCC(=O)c1ncccc1F 131133842 573770952 /nfs/dbraw/zinc/77/09/52/573770952.db2.gz KYUOBCHXLAYZMN-UHFFFAOYSA-N 0 0 181.210 2.594 10 0 AFAERN Cc1c(O)cc2cccnc2c1C 238509640 573771001 /nfs/dbraw/zinc/77/10/01/573771001.db2.gz GJVBVKWRRNKZAT-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN COCOc1cc(Cl)ccc1C 84082839 573771033 /nfs/dbraw/zinc/77/10/33/573771033.db2.gz NBDFYADLNBEPGG-UHFFFAOYSA-N 0 0 186.638 2.631 10 0 AFAERN C[C@H](Nc1ccncn1)c1ccccc1 40862901 573771077 /nfs/dbraw/zinc/77/10/77/573771077.db2.gz OBQQVGJPTVVWBC-JTQLQIEISA-N 0 0 199.257 2.650 10 0 AFAERN CN1N=CC(=O)C1C1CCCCCC1 257874472 573772463 /nfs/dbraw/zinc/77/24/63/573772463.db2.gz UHSGUUGYQIRDBL-UHFFFAOYSA-N 0 0 194.278 2.564 10 0 AFAERN CC[C@H](C)O[P@@](C)(=O)CC=O 393650889 573772496 /nfs/dbraw/zinc/77/24/96/573772496.db2.gz BTNMXXVJUDLZLG-KLQAYRQOSA-N 0 0 178.168 2.739 10 0 AFAERN CC(=O)[C@@]12CCC[C@@H](C[C@@H]1C)C2 238511638 573772506 /nfs/dbraw/zinc/77/25/06/573772506.db2.gz BOBWEFVEBQNXEG-INTQDDNPSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc(C(F)F)cc(CF)n1 238511447 573772534 /nfs/dbraw/zinc/77/25/34/573772534.db2.gz JBZDATPVWOQUEW-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN COCc1c[nH]c2ccc(C)cc12 257874689 573772535 /nfs/dbraw/zinc/77/25/35/573772535.db2.gz IVFXIDQMBLGLJJ-UHFFFAOYSA-N 0 0 175.231 2.623 10 0 AFAERN Cc1ccc([C@@H]2CCC(=O)C2)c(F)c1 238510793 573772576 /nfs/dbraw/zinc/77/25/76/573772576.db2.gz IHSRTKMKGQERBW-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN CC(=O)[C@]12CCCC[C@H]1C[C@@H]2C 238511541 573772590 /nfs/dbraw/zinc/77/25/90/573772590.db2.gz JOXOVTPQHUTISB-INTQDDNPSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc(C)c([C@@]2(CO)C[C@H]2C)c1 258934893 573772605 /nfs/dbraw/zinc/77/26/05/573772605.db2.gz BJVYTWUEDYLQFL-DGCLKSJQSA-N 0 0 190.286 2.573 10 0 AFAERN Cc1ccccc1-c1ccoc1N 258127794 573772690 /nfs/dbraw/zinc/77/26/90/573772690.db2.gz NHTWAQPXWMEHLK-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CC(=O)CCNc1ccccc1Cl 238099759 573772691 /nfs/dbraw/zinc/77/26/91/573772691.db2.gz GQOSMJZUHKLRAX-UHFFFAOYSA-N 0 0 197.665 2.731 10 0 AFAERN CCC[C@H](C)COC(=O)[C@H]1C[C@@H]1C 308436314 573772792 /nfs/dbraw/zinc/77/27/92/573772792.db2.gz WQDBODPLPKAGNE-GUBZILKMSA-N 0 0 184.279 2.622 10 0 AFAERN Cc1ccc(F)c(Cl)c1C=O 108365972 573772811 /nfs/dbraw/zinc/77/28/11/573772811.db2.gz KJDGHLCNQQGOTM-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN CNc1sc(C(C)(C)C)nc1C 259179501 573772885 /nfs/dbraw/zinc/77/28/85/573772885.db2.gz GBFNPIDBLSFOFB-UHFFFAOYSA-N 0 0 184.308 2.791 10 0 AFAERN CC(=O)CC[C@@H]1C(C)(C)[C@]1(C)F 238101834 573772909 /nfs/dbraw/zinc/77/29/09/573772909.db2.gz RXAMARYZHLVRMA-PSASIEDQSA-N 0 0 172.243 2.740 10 0 AFAERN Cc1cc(SCO)ccc1Cl 259179732 573773002 /nfs/dbraw/zinc/77/30/02/573773002.db2.gz IHBRARLGIVKLPR-UHFFFAOYSA-N 0 0 188.679 2.690 10 0 AFAERN C[C@H]1CCC[C@H](c2ncc[nH]2)C1 238511348 573773099 /nfs/dbraw/zinc/77/30/99/573773099.db2.gz NQSBFDNJTHNNAO-IUCAKERBSA-N 0 0 164.252 2.703 10 0 AFAERN Cc1cc(C)n(-c2ccccc2O)c1 238510901 573773191 /nfs/dbraw/zinc/77/31/91/573773191.db2.gz NVASOYVSOKTAEJ-UHFFFAOYSA-N 0 0 187.242 2.800 10 0 AFAERN CCC[C@H](C)COC(=O)[C@@H]1C[C@@H]1C 308436316 573773198 /nfs/dbraw/zinc/77/31/98/573773198.db2.gz WQDBODPLPKAGNE-LPEHRKFASA-N 0 0 184.279 2.622 10 0 AFAERN Cc1cc(C)c(C)c(CC2(O)CC2)c1 258126563 573774168 /nfs/dbraw/zinc/77/41/68/573774168.db2.gz RDIXJRPAFDMANP-UHFFFAOYSA-N 0 0 190.286 2.679 10 0 AFAERN Cc1cccc([C@@H]2CO2)c1Cl 238510780 573774213 /nfs/dbraw/zinc/77/42/13/573774213.db2.gz FLXXIGIZDANAHQ-QMMMGPOBSA-N 0 0 168.623 2.720 10 0 AFAERN O=c1ccc2c(C3CCC3)o[nH]c-2c1 257874419 573774269 /nfs/dbraw/zinc/77/42/69/573774269.db2.gz UGALVDPEUCUJAI-UHFFFAOYSA-N 0 0 189.214 2.801 10 0 AFAERN Cc1cc(C(F)F)cc(C)n1 238511302 573774458 /nfs/dbraw/zinc/77/44/58/573774458.db2.gz XKMDRXZPORUNJZ-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN Cc1cnc(C)c(C(F)F)c1 238511903 573774490 /nfs/dbraw/zinc/77/44/90/573774490.db2.gz YZTAKMDHVTYZCH-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN Cc1ccc(C)c([C@@]2(CO)C[C@@H]2C)c1 258934895 573774601 /nfs/dbraw/zinc/77/46/01/573774601.db2.gz BJVYTWUEDYLQFL-WCQYABFASA-N 0 0 190.286 2.573 10 0 AFAERN CC(=O)[C@]1(C)CCCC=C1C 238100403 573774742 /nfs/dbraw/zinc/77/47/42/573774742.db2.gz BYRCTWWTZUMVEJ-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CC/C(=C\c1cc(F)cc(F)c1)CO 308434918 573774751 /nfs/dbraw/zinc/77/47/51/573774751.db2.gz LEFAOXZVYSCEQT-FPYGCLRLSA-N 0 0 198.212 2.751 10 0 AFAERN Clc1ccc(OC2CCC2)cn1 238511327 573774850 /nfs/dbraw/zinc/77/48/50/573774850.db2.gz ZXHUJZQLTZCFSC-UHFFFAOYSA-N 0 0 183.638 2.666 10 0 AFAERN Cc1ccc(N)c2ccc(Cl)nc12 238511045 573774899 /nfs/dbraw/zinc/77/48/99/573774899.db2.gz LFHMMPZZGPGFDZ-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN O=C(CCC(F)(F)F)c1cc[nH]c1 84123482 573776367 /nfs/dbraw/zinc/77/63/67/573776367.db2.gz MUFNSUNIYFFXRW-UHFFFAOYSA-N 0 0 191.152 2.540 10 0 AFAERN O=C1CCC[C@@H]1c1ccncc1Cl 238513222 573776410 /nfs/dbraw/zinc/77/64/10/573776410.db2.gz LTONPWKLWFCZNB-MRVPVSSYSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1c(Cl)ncc(C(F)F)c1N 238513404 573776505 /nfs/dbraw/zinc/77/65/05/573776505.db2.gz YSSJWPRUZLWVQS-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C[Si](C)(C)/C=C/[C@@H](O)c1ccoc1 238512347 573776556 /nfs/dbraw/zinc/77/65/56/573776556.db2.gz AERFWCMBGQSYOP-BREXMAIKSA-N 0 0 196.322 2.747 10 0 AFAERN Cc1ccc([C@@H]2CCCC2=O)c(F)c1 238511981 573776607 /nfs/dbraw/zinc/77/66/07/573776607.db2.gz IMSHCQZRPZLRPN-JTQLQIEISA-N 0 0 192.233 2.971 10 0 AFAERN Cc1ccn2c(C(C)C)[nH+]cc2c1 258423736 573776610 /nfs/dbraw/zinc/77/66/10/573776610.db2.gz VYZPDFRQJWYYSW-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN O=C1CC[C@H](c2ccncc2Cl)C1 238513193 573776611 /nfs/dbraw/zinc/77/66/11/573776611.db2.gz MUFBCCKEJKIORK-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1cnc(C)c(C)c1C(F)F 238512610 573776617 /nfs/dbraw/zinc/77/66/17/573776617.db2.gz JZRPHYFIUHFCHG-UHFFFAOYSA-N 0 0 171.190 2.944 10 0 AFAERN Cc1ccc([C@]2(CO)CC2(C)C)cc1 258937003 573776640 /nfs/dbraw/zinc/77/66/40/573776640.db2.gz BRBGRTZARJTVKN-CYBMUJFWSA-N 0 0 190.286 2.655 10 0 AFAERN Cc1ccc(Cl)cc1[C@]1(O)C[C@@H]1C 125081276 573776662 /nfs/dbraw/zinc/77/66/62/573776662.db2.gz GWGOFPYQZHZCRU-KWQFWETISA-N 0 0 196.677 2.876 10 0 AFAERN COCc1c[nH]c2c(Cl)cccc12 257876998 573776699 /nfs/dbraw/zinc/77/66/99/573776699.db2.gz JHVFELLJCNQORY-UHFFFAOYSA-N 0 0 195.649 2.968 10 0 AFAERN Cc1ccc([C@@H]2CCCCC2=O)o1 238512608 573776735 /nfs/dbraw/zinc/77/67/35/573776735.db2.gz GMEVPTLMOKEQRZ-SECBINFHSA-N 0 0 178.231 2.815 10 0 AFAERN Cc1nc2oc(C)c(C)c2c(=S)[nH]1 238512746 573776741 /nfs/dbraw/zinc/77/67/41/573776741.db2.gz QVPVNZWALYIUFH-UHFFFAOYSA-N 0 0 194.259 2.811 10 0 AFAERN CC(C)C1=C(CO)C[C@H](C)CC1 238106207 573776847 /nfs/dbraw/zinc/77/68/47/573776847.db2.gz RWGNSXINUSDVNU-SECBINFHSA-N 0 0 168.280 2.751 10 0 AFAERN CC(=O)[C@]12CCCC[C@H]1CC2 238106003 573776868 /nfs/dbraw/zinc/77/68/68/573776868.db2.gz FCGGNXHYRJBPHW-VHSXEESVSA-N 0 0 152.237 2.546 10 0 AFAERN Clc1cncc2c(Cl)nccc12 238512619 573776958 /nfs/dbraw/zinc/77/69/58/573776958.db2.gz KOYWXXUFBPIXRC-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN Cc1ccc([C@@H]2CCCC2=O)c(O)c1 238512068 573776969 /nfs/dbraw/zinc/77/69/69/573776969.db2.gz CGEMGYCMXOHGEA-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN CC(=O)[C@@]12CC=CC[C@@H]1CCC2 238108085 573777043 /nfs/dbraw/zinc/77/70/43/573777043.db2.gz BLRIOYWSYWZYEE-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc2ccccc2cc1CCO 238512248 573777071 /nfs/dbraw/zinc/77/70/71/573777071.db2.gz PCQPSRTYZHUJKA-UHFFFAOYSA-N 0 0 186.254 2.683 10 0 AFAERN CC(C)/C(=C/[C@@H](C)O)[Si](C)(C)C 238107864 573778289 /nfs/dbraw/zinc/77/82/89/573778289.db2.gz DYPUDSLPHNUNME-SBMLRHLQSA-N 0 0 186.371 2.827 10 0 AFAERN Cc1ccc(Cl)cc1[C@@]1(O)C[C@@H]1C 125081510 573779090 /nfs/dbraw/zinc/77/90/90/573779090.db2.gz GWGOFPYQZHZCRU-GZMMTYOYSA-N 0 0 196.677 2.876 10 0 AFAERN Cc1ccc(Cl)cc1[C@@]1(O)C[C@H]1C 125081907 573778314 /nfs/dbraw/zinc/77/83/14/573778314.db2.gz GWGOFPYQZHZCRU-LDYMZIIASA-N 0 0 196.677 2.876 10 0 AFAERN CNc1c(C)c(Cl)c2ccccn12 259569681 573778321 /nfs/dbraw/zinc/77/83/21/573778321.db2.gz STYGEGBCYLYYBN-UHFFFAOYSA-N 0 0 194.665 2.943 10 0 AFAERN C[Si](C)(C)/C=C/[C@@H](O)c1ccco1 238512327 573778438 /nfs/dbraw/zinc/77/84/38/573778438.db2.gz YQMZSOABMBGMDC-BNICOGTQSA-N 0 0 196.322 2.747 10 0 AFAERN Cc1cc(N)c2[nH]cc(C3CC3)c2c1 238512489 573778481 /nfs/dbraw/zinc/77/84/81/573778481.db2.gz ITNLFDRNMYJRFB-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN Cc1ccc(Cl)cc1[C@]1(O)C[C@H]1C 125081693 573779115 /nfs/dbraw/zinc/77/91/15/573779115.db2.gz GWGOFPYQZHZCRU-KCJUWKMLSA-N 0 0 196.677 2.876 10 0 AFAERN CCSc1ccccc1[C@H](C)CO 257875446 573779116 /nfs/dbraw/zinc/77/91/16/573779116.db2.gz ZERRMLXAALZLCS-SECBINFHSA-N 0 0 196.315 2.894 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1ncccc1F 131182666 573778574 /nfs/dbraw/zinc/77/85/74/573778574.db2.gz MMBIKITVCGDYCW-PSASIEDQSA-N 0 0 197.253 2.690 10 0 AFAERN C[C@@H]1CC(=O)C[C@@H]2[C@@H](C1)C2(C)C 238513231 573778591 /nfs/dbraw/zinc/77/85/91/573778591.db2.gz XKXXQHPHHZQFCH-SZEHBUNVSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccc(Cl)cc1C1(O)CC1 125081099 573778684 /nfs/dbraw/zinc/77/86/84/573778684.db2.gz PVSYUJGHDKEMPG-UHFFFAOYSA-N 0 0 182.650 2.630 10 0 AFAERN Cc1cc2ccc[nH]c-2c(C)c1=O 238513271 573778713 /nfs/dbraw/zinc/77/87/13/573778713.db2.gz RVXXEWNEBBZKRQ-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN C[C@@H]1C(=O)C2(C=CC=CC=C2)[C@@H]1C 238512338 573778724 /nfs/dbraw/zinc/77/87/24/573778724.db2.gz OUOWLLFYEFAETI-VHSXEESVSA-N 0 0 174.243 2.510 10 0 AFAERN CC(C)(C)[C@](C)(O)c1ccccc1O 238106421 573778796 /nfs/dbraw/zinc/77/87/96/573778796.db2.gz VEUAFFZVPQTKPJ-GFCCVEGCSA-N 0 0 194.274 2.646 10 0 AFAERN CC(C)/C(=C/[C@H](C)O)[Si](C)(C)C 238107891 573778951 /nfs/dbraw/zinc/77/89/51/573778951.db2.gz DYPUDSLPHNUNME-CBFJXKFUSA-N 0 0 186.371 2.827 10 0 AFAERN O=C1CCC[C@H]1c1ccncc1Cl 238513039 573779045 /nfs/dbraw/zinc/77/90/45/573779045.db2.gz LTONPWKLWFCZNB-QMMMGPOBSA-N 0 0 195.649 2.572 10 0 AFAERN CC(=O)[C@]12CCCC[C@@]1(C)C2 238105946 573779051 /nfs/dbraw/zinc/77/90/51/573779051.db2.gz JMOJLDWWMDTQSY-VHSXEESVSA-N 0 0 152.237 2.546 10 0 AFAERN C/C=C/C(=O)N(C)[C@H]1CCCC[C@@H]1C 84148530 573781054 /nfs/dbraw/zinc/78/10/54/573781054.db2.gz FSARUWJXQNUYFV-UHDIHKPFSA-N 0 0 195.306 2.600 10 0 AFAERN CC[C@H]1Oc2ccc(Cl)cc2[C@H]1O 84150019 573781114 /nfs/dbraw/zinc/78/11/14/573781114.db2.gz NGYKODHJROEKFV-PSASIEDQSA-N 0 0 198.649 2.544 10 0 AFAERN CC[C@@H]1Oc2c(C)ccc(C)c2[C@@H]1O 84150217 573781120 /nfs/dbraw/zinc/78/11/20/573781120.db2.gz XDQAHCUSOBYFFA-GXSJLCMTSA-N 0 0 192.258 2.508 10 0 AFAERN CC[C@@H]1Oc2cc(C)c(C)cc2[C@H]1O 84150229 573781159 /nfs/dbraw/zinc/78/11/59/573781159.db2.gz QUVJWNCPDFEZHV-CMPLNLGQSA-N 0 0 192.258 2.508 10 0 AFAERN C[C@@H](OCC1CC1)c1cccc(N)c1 40908465 573781195 /nfs/dbraw/zinc/78/11/95/573781195.db2.gz RJSPKIHEVWBBIC-SECBINFHSA-N 0 0 191.274 2.756 10 0 AFAERN CC(C)c1ccc2c(c1)[C@@H](O)[C@H](C)O2 84150450 573781282 /nfs/dbraw/zinc/78/12/82/573781282.db2.gz TUWGAKOYTWPDBQ-UFBFGSQYSA-N 0 0 192.258 2.624 10 0 AFAERN Cc1cccc2ccc(CO)cc12 108368134 573781356 /nfs/dbraw/zinc/78/13/56/573781356.db2.gz JYTDAWFLCFNATI-UHFFFAOYSA-N 0 0 172.227 2.641 10 0 AFAERN CC(C)C1=CC[C@@H](CCO)CC1 238109242 573781387 /nfs/dbraw/zinc/78/13/87/573781387.db2.gz SNDKDDQIIOJKKE-SNVBAGLBSA-N 0 0 168.280 2.751 10 0 AFAERN CC(=O)c1oncc1C1CCCC1 257877862 573781389 /nfs/dbraw/zinc/78/13/89/573781389.db2.gz ZWVSMBQZXYZUOD-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN Cc1c(F)ccc(OC2CC2)c1F 238503313 573781465 /nfs/dbraw/zinc/78/14/65/573781465.db2.gz PGMBYULQWCPFSQ-UHFFFAOYSA-N 0 0 184.185 2.814 10 0 AFAERN C[C@@]1(c2ccccc2Cl)CC[C@H]1O 238503783 573781489 /nfs/dbraw/zinc/78/14/89/573781489.db2.gz SMJMAXIPWZBSKY-MNOVXSKESA-N 0 0 196.677 2.752 10 0 AFAERN Cc1ccc([C@H]2CCC(=O)[C@H]2C)o1 238513788 573781585 /nfs/dbraw/zinc/78/15/85/573781585.db2.gz XZLJQVFYAFJNPG-IUCAKERBSA-N 0 0 178.231 2.671 10 0 AFAERN CC1=C([C@@H](C)O)[C@@H](C)C=C1C(C)C 238111327 573781611 /nfs/dbraw/zinc/78/16/11/573781611.db2.gz WGRKKWMEAQTENJ-WCBMZHEXSA-N 0 0 180.291 2.916 10 0 AFAERN Cc1nc2ccccc2c(Cl)c1N 238504109 573781615 /nfs/dbraw/zinc/78/16/15/573781615.db2.gz CVRZLASNCIPLAN-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN C/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1C 84148531 573781640 /nfs/dbraw/zinc/78/16/40/573781640.db2.gz FSARUWJXQNUYFV-OZSGMGSPSA-N 0 0 195.306 2.600 10 0 AFAERN C=CC1=CC[C@@H]2CC(=O)CC[C@]12C 238503084 573781659 /nfs/dbraw/zinc/78/16/59/573781659.db2.gz ZNQNNASAOPHKHW-ZYHUDNBSSA-N 0 0 176.259 2.878 10 0 AFAERN CC(C)c1cccc2c1O[C@@H](C)[C@H]2O 84150491 573781674 /nfs/dbraw/zinc/78/16/74/573781674.db2.gz OSGBAPHOYVPJLT-GZMMTYOYSA-N 0 0 192.258 2.624 10 0 AFAERN Cc1cc2c(cc1C)[C@@H](O)CCCO2 84150219 573781704 /nfs/dbraw/zinc/78/17/04/573781704.db2.gz FPODTFVMDGEHPT-NSHDSACASA-N 0 0 192.258 2.509 10 0 AFAERN C[C@H]1CCC[C@@H](c2ncc[nH]2)C1 238503773 573781765 /nfs/dbraw/zinc/78/17/65/573781765.db2.gz NQSBFDNJTHNNAO-DTWKUNHWSA-N 0 0 164.252 2.703 10 0 AFAERN CC(C)(C)[C@]12CCC[C@@]1(C)C2=O 238109191 573781789 /nfs/dbraw/zinc/78/17/89/573781789.db2.gz UFKVVDWFSMUZLW-WDEREUQCSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@H]1CC=C(C(C)C)CC1 238109687 573781825 /nfs/dbraw/zinc/78/18/25/573781825.db2.gz UGEOYLUHOLLPHS-NSHDSACASA-N 0 0 166.264 2.958 10 0 AFAERN OCCc1ccc2c(F)cccc2c1 108372212 573781836 /nfs/dbraw/zinc/78/18/36/573781836.db2.gz CUUPPMIQHKGDNE-UHFFFAOYSA-N 0 0 190.217 2.514 10 0 AFAERN CC[C@@H]1Oc2ccc(Cl)cc2[C@H]1O 84150020 573781837 /nfs/dbraw/zinc/78/18/37/573781837.db2.gz NGYKODHJROEKFV-WCBMZHEXSA-N 0 0 198.649 2.544 10 0 AFAERN CC(=O)c1cc(F)cc(Cl)c1F 108372493 573781843 /nfs/dbraw/zinc/78/18/43/573781843.db2.gz YTALSHHHQLGURV-UHFFFAOYSA-N 0 0 190.576 2.821 10 0 AFAERN CC(C)c1cccc2c1OCC[C@H]2O 84150482 573781848 /nfs/dbraw/zinc/78/18/48/573781848.db2.gz MWYGWXWQHURGHN-LLVKDONJSA-N 0 0 192.258 2.626 10 0 AFAERN CC[C@@H]1Oc2c(C)ccc(C)c2[C@H]1O 84150215 573780996 /nfs/dbraw/zinc/78/09/96/573780996.db2.gz XDQAHCUSOBYFFA-ONGXEEELSA-N 0 0 192.258 2.508 10 0 AFAERN CC[C@@H]1Oc2cc(C)cc(C)c2[C@H]1O 84150101 573783093 /nfs/dbraw/zinc/78/30/93/573783093.db2.gz BRMZGBHMZPKEGU-CABZTGNLSA-N 0 0 192.258 2.508 10 0 AFAERN CC(C)=C(C)[C@@H](O)C1(C)CC1 238112788 573783125 /nfs/dbraw/zinc/78/31/25/573783125.db2.gz QNMROZRLBGWPHR-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H]1Oc2cc(C)c(C)cc2[C@H]1O 84150228 573783145 /nfs/dbraw/zinc/78/31/45/573783145.db2.gz QUVJWNCPDFEZHV-ZYHUDNBSSA-N 0 0 192.258 2.508 10 0 AFAERN CS[C@@H](C)c1ccc(O)cc1 259620090 573783174 /nfs/dbraw/zinc/78/31/74/573783174.db2.gz FCNYVPZMYZRTBO-ZETCQYMHSA-N 0 0 168.261 2.816 10 0 AFAERN CC(C)(C)[Si](C)(C)C=C=CCO 238111929 573783179 /nfs/dbraw/zinc/78/31/79/573783179.db2.gz NANVJTHEHXOIAY-UHFFFAOYSA-N 0 0 184.355 2.738 10 0 AFAERN CC[C@H]1Oc2ccc(Cl)cc2[C@@H]1O 84150021 573783196 /nfs/dbraw/zinc/78/31/96/573783196.db2.gz NGYKODHJROEKFV-SCZZXKLOSA-N 0 0 198.649 2.544 10 0 AFAERN CCCC[C@H](C)Nc1cc(C)nn1C 308737248 573783205 /nfs/dbraw/zinc/78/32/05/573783205.db2.gz MDGSEHYZPPAVEE-VIFPVBQESA-N 0 0 195.310 2.719 10 0 AFAERN C[C@H]1C[C@@H](O)CCC(C)(C)C1 238502812 573783231 /nfs/dbraw/zinc/78/32/31/573783231.db2.gz NKZURVBGTSUXCY-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H](C)C(=O)C1(OC)CCC1 233268361 573783239 /nfs/dbraw/zinc/78/32/39/573783239.db2.gz CLRRNHPOXMEKAI-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H]1Oc2cc(C)cc(C)c2[C@@H]1O 84150103 573783265 /nfs/dbraw/zinc/78/32/65/573783265.db2.gz BRMZGBHMZPKEGU-JOYOIKCWSA-N 0 0 192.258 2.508 10 0 AFAERN OCCc1ccc2cccc(F)c2c1 108372220 573783289 /nfs/dbraw/zinc/78/32/89/573783289.db2.gz YOIXZMFODQKUKB-UHFFFAOYSA-N 0 0 190.217 2.514 10 0 AFAERN C[C@H]1C[C@@H](O)Nc2cc(Cl)ccc21 238503587 573783317 /nfs/dbraw/zinc/78/33/17/573783317.db2.gz XBFBEUUIVBAWJX-QUBYGPBYSA-N 0 0 197.665 2.578 10 0 AFAERN C[C@H](O)[C@H](C)Nc1ccccc1Cl 87126856 573783344 /nfs/dbraw/zinc/78/33/44/573783344.db2.gz RNGIBTITPXDDPD-YUMQZZPRSA-N 0 0 199.681 2.521 10 0 AFAERN CC[C@@H](C)c1cccc2c1OC[C@@H]2O 84150504 573783352 /nfs/dbraw/zinc/78/33/52/573783352.db2.gz SBCWLVRVIPVYBE-KCJUWKMLSA-N 0 0 192.258 2.626 10 0 AFAERN CC[C@@H]1Oc2c(ccc(C)c2C)[C@@H]1O 84150249 573783393 /nfs/dbraw/zinc/78/33/93/573783393.db2.gz WEHIIOAZTLKWEK-QWRGUYRKSA-N 0 0 192.258 2.508 10 0 AFAERN CC(C)CC1(C(F)(F)F)COC1 258514696 573783410 /nfs/dbraw/zinc/78/34/10/573783410.db2.gz GJMCBQMHDDZCKK-UHFFFAOYSA-N 0 0 182.185 2.611 10 0 AFAERN C[C@@H](O)[C@@H](C)Nc1cccc(Cl)c1 87126747 573783421 /nfs/dbraw/zinc/78/34/21/573783421.db2.gz HZQHKIAQZFOQLQ-HTQZYQBOSA-N 0 0 199.681 2.521 10 0 AFAERN O=Cc1cccn1C1CC(C2CC2)C1 714744072 573783431 /nfs/dbraw/zinc/78/34/31/573783431.db2.gz MCRPHDUOASAHEP-UHFFFAOYSA-N 0 0 189.258 2.662 10 0 AFAERN CC[C@H]1Oc2c(C)cc(C)cc2[C@H]1O 84150538 573783469 /nfs/dbraw/zinc/78/34/69/573783469.db2.gz PJDRBRBZRXIAHF-GHMZBOCLSA-N 0 0 192.258 2.508 10 0 AFAERN CC(C)[C@H](O)C/C=C\c1ccoc1 215407626 573783497 /nfs/dbraw/zinc/78/34/97/573783497.db2.gz JOHCOFXRAINGRC-DLRQAJBASA-N 0 0 180.247 2.700 10 0 AFAERN C/C=C/C(=O)N(C)[C@H]1CCCC[C@H]1C 84148532 573783501 /nfs/dbraw/zinc/78/35/01/573783501.db2.gz FSARUWJXQNUYFV-CEIHKIRRSA-N 0 0 195.306 2.600 10 0 AFAERN Cc1cc2c(cc1C)[C@H](O)CCCO2 84150220 573783510 /nfs/dbraw/zinc/78/35/10/573783510.db2.gz FPODTFVMDGEHPT-LLVKDONJSA-N 0 0 192.258 2.509 10 0 AFAERN CC(=O)[C@H]1CCCc2c(F)cccc21 108373023 573783518 /nfs/dbraw/zinc/78/35/18/573783518.db2.gz OAHYVKOAGCEBTQ-SECBINFHSA-N 0 0 192.233 2.835 10 0 AFAERN CCOC(=N)CC1=CCCC1 100243731 573783524 /nfs/dbraw/zinc/78/35/24/573783524.db2.gz FBBWHHYTBOIHDZ-UHFFFAOYSA-N 0 0 153.225 2.501 10 0 AFAERN CC(C)(C)c1noc2cc(O)ccc12 257877246 573783554 /nfs/dbraw/zinc/78/35/54/573783554.db2.gz UTZMCWFVQGTDIL-UHFFFAOYSA-N 0 0 191.230 2.831 10 0 AFAERN OCc1ccc2ccc(Cl)cc2c1 108373241 573783802 /nfs/dbraw/zinc/78/38/02/573783802.db2.gz JEXMGMVIIUGTMH-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN Cc1c(N)cc(Cl)nc1C(F)F 238517832 573787001 /nfs/dbraw/zinc/78/70/01/573787001.db2.gz UYMWPILNMLRGIQ-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C[C@]12CCC(=O)[C@H]1CC1=C2CCC1 238504501 573787027 /nfs/dbraw/zinc/78/70/27/573787027.db2.gz BBFLZDVNRBJABB-ZYHUDNBSSA-N 0 0 176.259 2.856 10 0 AFAERN OCCc1ccc2cc(F)ccc2c1 108372216 573786293 /nfs/dbraw/zinc/78/62/93/573786293.db2.gz MNRZIOFLRBNFMB-UHFFFAOYSA-N 0 0 190.217 2.514 10 0 AFAERN CC(C)=C[C@@H](NN)C(C)(C)C(C)(C)C 308737424 573786342 /nfs/dbraw/zinc/78/63/42/573786342.db2.gz MJCNEQBHOQXUDV-SNVBAGLBSA-N 0 0 198.354 2.857 10 0 AFAERN C[C@H](O)[C@@H](C)Nc1cccc(Cl)c1 87126752 573786428 /nfs/dbraw/zinc/78/64/28/573786428.db2.gz HZQHKIAQZFOQLQ-SFYZADRCSA-N 0 0 199.681 2.521 10 0 AFAERN CC(=O)C(F)(F)Cc1ccc(C)cc1 257873869 573786467 /nfs/dbraw/zinc/78/64/67/573786467.db2.gz QWKSXBSLDFSNRM-UHFFFAOYSA-N 0 0 198.212 2.762 10 0 AFAERN C[C@@]1(c2ccccc2Cl)CC[NH2+]1 84178940 573786578 /nfs/dbraw/zinc/78/65/78/573786578.db2.gz OLFPKUGPATYCDG-JTQLQIEISA-N 0 0 181.666 2.549 10 0 AFAERN C[C@@H](O)[C@@H](C)Nc1ccc(Cl)cc1 87126770 573786682 /nfs/dbraw/zinc/78/66/82/573786682.db2.gz WFRPCSYKZBXPHF-HTQZYQBOSA-N 0 0 199.681 2.521 10 0 AFAERN Cc1nc(Cl)c(F)c(C(C)C)n1 108371856 573786771 /nfs/dbraw/zinc/78/67/71/573786771.db2.gz SNNGAURSJUOWLJ-UHFFFAOYSA-N 0 0 188.633 2.701 10 0 AFAERN C[C@@H](O)[C@@H](C)Nc1ccccc1Cl 87126853 573786903 /nfs/dbraw/zinc/78/69/03/573786903.db2.gz RNGIBTITPXDDPD-HTQZYQBOSA-N 0 0 199.681 2.521 10 0 AFAERN CC(C)=C(CCO)[Si](C)(C)C 238114585 573786964 /nfs/dbraw/zinc/78/69/64/573786964.db2.gz PBSBQGSTWPRRNQ-UHFFFAOYSA-N 0 0 172.344 2.583 10 0 AFAERN CCCNc1ccnc(Cl)c1 122687266 573792191 /nfs/dbraw/zinc/79/21/91/573792191.db2.gz KQKCNVQXPHMTJP-UHFFFAOYSA-N 0 0 170.643 2.557 10 0 AFAERN C=CS[C@H]1NCCc2ccccc21 238104910 573792379 /nfs/dbraw/zinc/79/23/79/573792379.db2.gz AKMMULFLEJGTED-LLVKDONJSA-N 0 0 191.299 2.708 10 0 AFAERN CC(C)(C)c1cc(N)cc(Cl)n1 238119688 573792412 /nfs/dbraw/zinc/79/24/12/573792412.db2.gz XBWKWMWVCYCCEH-UHFFFAOYSA-N 0 0 184.670 2.615 10 0 AFAERN CC[C@H](CO)c1ccc2[nH]ccc2c1 259187554 573792503 /nfs/dbraw/zinc/79/25/03/573792503.db2.gz MAFVYMJAQXXIKZ-SECBINFHSA-N 0 0 189.258 2.654 10 0 AFAERN CCOC(=O)[C@H]1C[C@H](CC)[C@H](C)C1 259569062 573792521 /nfs/dbraw/zinc/79/25/21/573792521.db2.gz JBQRRBWAECODHN-KXUCPTDWSA-N 0 0 184.279 2.622 10 0 AFAERN Cc1cc(C(F)F)ncc1Cl 238521372 573792635 /nfs/dbraw/zinc/79/26/35/573792635.db2.gz MBRVMIFHUYVZIU-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN CC(C)(C)c1cc(O)c(F)cc1F 238120152 573792681 /nfs/dbraw/zinc/79/26/81/573792681.db2.gz DISHTXRYSKVAAQ-UHFFFAOYSA-N 0 0 186.201 2.968 10 0 AFAERN Cc1cc2nccn2c(C)c1C1CC1 238520806 573792798 /nfs/dbraw/zinc/79/27/98/573792798.db2.gz XXXPYZSRNQYQRI-UHFFFAOYSA-N 0 0 186.258 2.829 10 0 AFAERN Cc1ccc2c(Cl)n[nH]c2c1C 238521016 573792911 /nfs/dbraw/zinc/79/29/11/573792911.db2.gz WWHKRCWRMXILQV-UHFFFAOYSA-N 0 0 180.638 2.833 10 0 AFAERN C/C=C(\C)[C@@H](O)CCCc1ccco1 308441283 573792930 /nfs/dbraw/zinc/79/29/30/573792930.db2.gz FELFYPVDYRRHEY-IYMAKHKGSA-N 0 0 194.274 2.929 10 0 AFAERN C[Si](C)(C)C1=CCCC(=O)C1 238520765 573794083 /nfs/dbraw/zinc/79/40/83/573794083.db2.gz WDBNNUGVSQQXHI-UHFFFAOYSA-N 0 0 168.312 2.543 10 0 AFAERN CCCC[C@@H](C)c1n[nH]cc1C=O 393590006 573793458 /nfs/dbraw/zinc/79/34/58/573793458.db2.gz LSIDXNYRZYPXKL-MRVPVSSYSA-N 0 0 180.251 2.516 10 0 AFAERN C[C@@H](CO)c1cc2cc(F)ccc2o1 257878361 573793475 /nfs/dbraw/zinc/79/34/75/573793475.db2.gz JLFAREMFBIQYSG-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN CCC[C@@H](C)CNc1cc(C)nn1C 308730937 573793507 /nfs/dbraw/zinc/79/35/07/573793507.db2.gz JJFSXGABGKPENZ-SECBINFHSA-N 0 0 195.310 2.577 10 0 AFAERN O=C1CCC[C@@H]1c1ccc(Cl)nc1 238520604 573793654 /nfs/dbraw/zinc/79/36/54/573793654.db2.gz UHJPDDHUSSCBLM-MRVPVSSYSA-N 0 0 195.649 2.572 10 0 AFAERN CC(C)(C)[C@@H]1C(=O)[C@@]2(C)CC=C[C@@H]12 238104649 573793685 /nfs/dbraw/zinc/79/36/85/573793685.db2.gz CRLNEHDVEJAPHF-AUTRQRHGSA-N 0 0 178.275 2.814 10 0 AFAERN CCC[C@H](C)CNc1ccnn1CC 308728438 573793702 /nfs/dbraw/zinc/79/37/02/573793702.db2.gz HVTKJQJVYQYYPR-JTQLQIEISA-N 0 0 195.310 2.751 10 0 AFAERN CC(C)(C)[C@@H]1C(=O)[C@]2(C)CC=C[C@@H]12 238104627 573793736 /nfs/dbraw/zinc/79/37/36/573793736.db2.gz CRLNEHDVEJAPHF-HOTUBEGUSA-N 0 0 178.275 2.814 10 0 AFAERN CCOC(=O)[C@@H]1C[C@H](C)[C@H](CC)C1 259569059 573793798 /nfs/dbraw/zinc/79/37/98/573793798.db2.gz JBQRRBWAECODHN-IVZWLZJFSA-N 0 0 184.279 2.622 10 0 AFAERN CC[C@@H](CO)c1ccc2[nH]ccc2c1 259187560 573793810 /nfs/dbraw/zinc/79/38/10/573793810.db2.gz MAFVYMJAQXXIKZ-VIFPVBQESA-N 0 0 189.258 2.654 10 0 AFAERN CCOC(=O)[C@@H]1C[C@@H](C)[C@H](CC)C1 259569070 573793911 /nfs/dbraw/zinc/79/39/11/573793911.db2.gz JBQRRBWAECODHN-OPRDCNLKSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)(C)c1cc(N=O)c(O)cc1O 238120035 573793951 /nfs/dbraw/zinc/79/39/51/573793951.db2.gz JNOGPCIXYPHUAT-UHFFFAOYSA-N 0 0 195.218 2.793 10 0 AFAERN Cc1c[nH]c(-c2ccncc2)c1C 238520187 573793961 /nfs/dbraw/zinc/79/39/61/573793961.db2.gz SVSWLLHAFWTYED-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CC(=O)SC/C(Cl)=C/Cl 238126210 573798901 /nfs/dbraw/zinc/79/89/01/573798901.db2.gz GHGVAWJVLUYGMR-DJWKRKHSSA-N 0 0 185.075 2.585 10 0 AFAERN Cc1nc(CCc2ccsc2)c[nH]1 238514481 573799128 /nfs/dbraw/zinc/79/91/28/573799128.db2.gz UREMUXBGVPNTMQ-UHFFFAOYSA-N 0 0 192.287 2.565 10 0 AFAERN CCC(C)(C)C[C@@H](O)C(F)(F)F 223453521 573799241 /nfs/dbraw/zinc/79/92/41/573799241.db2.gz XQLQXTZZXIQTHP-ZCFIWIBFSA-N 0 0 184.201 2.736 10 0 AFAERN Cc1cc([C@@H]2CO2)ccc1Cl 238514605 573799276 /nfs/dbraw/zinc/79/92/76/573799276.db2.gz BLPPAZVSJMVNNN-VIFPVBQESA-N 0 0 168.623 2.720 10 0 AFAERN Cc1cccc2c([C@@H](C)O)c[nH]c12 258131377 573799279 /nfs/dbraw/zinc/79/92/79/573799279.db2.gz KFWKIAPRIKJBGP-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN Cc1coc([C@@H](N)c2ccoc2C)c1 716186831 573799288 /nfs/dbraw/zinc/79/92/88/573799288.db2.gz CGOYGWCOIIHXJS-NSHDSACASA-N 0 0 191.230 2.538 10 0 AFAERN Cc1cccc([C@H]2CCCC2=O)c1O 238515471 573799346 /nfs/dbraw/zinc/79/93/46/573799346.db2.gz ABCKMTHZPUTZMG-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN CCc1cc(C)c(C)c(CC(C)=O)c1 258131186 573799359 /nfs/dbraw/zinc/79/93/59/573799359.db2.gz RMMIAFBWMBRUMG-UHFFFAOYSA-N 0 0 190.286 2.997 10 0 AFAERN CC(=C=C=C(C)CC(C)C)CO 238127067 573799371 /nfs/dbraw/zinc/79/93/71/573799371.db2.gz BLLPPCRFWCOEDO-UHFFFAOYSA-N 0 0 166.264 2.671 10 0 AFAERN Cc1nsc2ccc([C@H](C)O)cc12 258128723 573799398 /nfs/dbraw/zinc/79/93/98/573799398.db2.gz RHBAPVSHRXNGSF-ZETCQYMHSA-N 0 0 193.271 2.658 10 0 AFAERN CC(=O)[C@]12CCCC[C@@H]1CC2 238105694 573799405 /nfs/dbraw/zinc/79/94/05/573799405.db2.gz FCGGNXHYRJBPHW-NXEZZACHSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1c(C(F)F)ncc(Cl)c1N 238514840 573799516 /nfs/dbraw/zinc/79/95/16/573799516.db2.gz HXCHBTUDGZCMTP-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCCCn1c[nH+]c(C2CCC2)c1N 127233944 573799520 /nfs/dbraw/zinc/79/95/20/573799520.db2.gz HRWMPARPYDPBDG-UHFFFAOYSA-N 0 0 193.294 2.533 10 0 AFAERN CCn1c(C)cnc1SC(C)C 258128560 573799531 /nfs/dbraw/zinc/79/95/31/573799531.db2.gz JZKGTSGUAXVLKY-UHFFFAOYSA-N 0 0 184.308 2.712 10 0 AFAERN CC(=O)CCCNc1sccc1C 258951969 573799581 /nfs/dbraw/zinc/79/95/81/573799581.db2.gz RQKHWBYHFXKKPW-UHFFFAOYSA-N 0 0 197.303 2.838 10 0 AFAERN Cc1nc(CC2CCCCC2)c[nH]1 238513895 573799640 /nfs/dbraw/zinc/79/96/40/573799640.db2.gz NUXMJTMSJTZJJZ-UHFFFAOYSA-N 0 0 178.279 2.841 10 0 AFAERN CC(=O)CC[C@@H]1C=CCCC1 238105157 573800452 /nfs/dbraw/zinc/80/04/52/573800452.db2.gz YPOUQUBOMJTFSI-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CCC(CC)[C@@H](C)C(C)=O 87158133 573800453 /nfs/dbraw/zinc/80/04/53/573800453.db2.gz WZVCAPFOALTDCK-ZETCQYMHSA-N 0 0 142.242 2.648 10 0 AFAERN C[C@H](O)Cc1ccccc1[C@@H](C)F 258128762 573799686 /nfs/dbraw/zinc/79/96/86/573799686.db2.gz RHQIFOUVMGOPAN-DTWKUNHWSA-N 0 0 182.238 2.640 10 0 AFAERN CO[C@@H]1OC=C(C)[C@@H]2CC[C@@H](C)[C@@H]12 14556866 573799702 /nfs/dbraw/zinc/79/97/02/573799702.db2.gz IGZUHQCEDUZXSS-APHKKCJPSA-N 0 0 182.263 2.555 10 0 AFAERN CCCCC[C@H](O)c1ncccc1F 131258000 573799717 /nfs/dbraw/zinc/79/97/17/573799717.db2.gz QHFAERDXDGJRLJ-JTQLQIEISA-N 0 0 197.253 2.834 10 0 AFAERN C[C@H](F)c1ccccc1CCCO 258131298 573799784 /nfs/dbraw/zinc/79/97/84/573799784.db2.gz RNIGTASZZRBFKX-VIFPVBQESA-N 0 0 182.238 2.642 10 0 AFAERN C[C@H](F)Cc1cccc(CCCO)c1 258128688 573799806 /nfs/dbraw/zinc/79/98/06/573799806.db2.gz RGRMIXFBMPYIKK-JTQLQIEISA-N 0 0 196.265 2.512 10 0 AFAERN Cc1ccc(N)c(N[C@@H](C)C2CC2)c1 87149670 573799853 /nfs/dbraw/zinc/79/98/53/573799853.db2.gz IMNHQEFFAYAYTM-VIFPVBQESA-N 0 0 190.290 2.788 10 0 AFAERN C[C@H](CO)c1cccc(C(F)F)c1 258128882 573799911 /nfs/dbraw/zinc/79/99/11/573799911.db2.gz RJSJOEAKRDRXHT-SSDOTTSWSA-N 0 0 186.201 2.720 10 0 AFAERN CC(C)c1ccc(SN)cc1 259189220 573799919 /nfs/dbraw/zinc/79/99/19/573799919.db2.gz JFCIKEXDTUZQKJ-UHFFFAOYSA-N 0 0 167.277 2.776 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]2CC(C)(C)C[C@H]21 238515292 573799929 /nfs/dbraw/zinc/79/99/29/573799929.db2.gz FPOHTJGEBIEARV-YIZRAAEISA-N 0 0 166.264 2.648 10 0 AFAERN FC(F)(F)Cc1cc(Cl)ccn1 238514012 573800009 /nfs/dbraw/zinc/80/00/09/573800009.db2.gz FSECEVMTKILXMD-UHFFFAOYSA-N 0 0 195.571 2.840 10 0 AFAERN C=C/C=C/[C@H](O)/C=C\c1ccccc1 308443127 573800016 /nfs/dbraw/zinc/80/00/16/573800016.db2.gz HWKBQTHNDDWTIH-PQVITAOZSA-N 0 0 186.254 2.803 10 0 AFAERN Cc1nc2c(OC(C)C)cccc2[nH]1 76209569 573800104 /nfs/dbraw/zinc/80/01/04/573800104.db2.gz HJVBRDMWOHOQJQ-UHFFFAOYSA-N 0 0 190.246 2.659 10 0 AFAERN CSc1cc(C=O)c(C)s1 84225489 573800156 /nfs/dbraw/zinc/80/01/56/573800156.db2.gz FBNQJDOHHHSJJK-UHFFFAOYSA-N 0 0 172.274 2.591 10 0 AFAERN Cc1cccc([C@H]2CCC(=O)C2)c1F 238514921 573800211 /nfs/dbraw/zinc/80/02/11/573800211.db2.gz HQAXHJWIUDEJQX-VIFPVBQESA-N 0 0 192.233 2.971 10 0 AFAERN CC(=O)[C@]12CCCCCC[C@@H]1C2 238105442 573800256 /nfs/dbraw/zinc/80/02/56/573800256.db2.gz ARQVHKRGBHHFJM-GHMZBOCLSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cccc2c([C@H](C)O)c[nH]c12 258131385 573800274 /nfs/dbraw/zinc/80/02/74/573800274.db2.gz KFWKIAPRIKJBGP-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN C[C@@H](O)c1c(F)cc(F)c2occc12 258128792 573800297 /nfs/dbraw/zinc/80/02/97/573800297.db2.gz RIBYPTWIRIFVSM-RXMQYKEDSA-N 0 0 198.168 2.764 10 0 AFAERN Cc1c(C(F)F)cnc(Cl)c1N 238514869 573800302 /nfs/dbraw/zinc/80/03/02/573800302.db2.gz HKUBVYJQLDXHCG-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN O=C1CC[C@@H](c2ccc(Cl)cn2)C1 238515078 573800322 /nfs/dbraw/zinc/80/03/22/573800322.db2.gz CUUYABFJLFERFD-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN C[C@H](O)Cc1ccccc1[C@H](C)F 258128767 573800342 /nfs/dbraw/zinc/80/03/42/573800342.db2.gz RHQIFOUVMGOPAN-IUCAKERBSA-N 0 0 182.238 2.640 10 0 AFAERN Cc1nsc2ccc([C@@H](C)O)cc12 258128720 573800348 /nfs/dbraw/zinc/80/03/48/573800348.db2.gz RHBAPVSHRXNGSF-SSDOTTSWSA-N 0 0 193.271 2.658 10 0 AFAERN C[C@@H]1C(=O)CC[C@@]2(C)CCC=C[C@@H]12 238514702 573800349 /nfs/dbraw/zinc/80/03/49/573800349.db2.gz QMXNJVIKYBTEDK-JBLDHEPKSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1cc[nH]c1C(=O)CC(C)C 238125722 573800398 /nfs/dbraw/zinc/80/03/98/573800398.db2.gz NUAZWGWKAOPJGP-UHFFFAOYSA-N 0 0 165.236 2.552 10 0 AFAERN Cc1cc([C@H]2CCC(=O)C2)ccc1O 238521374 573800403 /nfs/dbraw/zinc/80/04/03/573800403.db2.gz NHMHQCVBRAARRZ-JTQLQIEISA-N 0 0 190.242 2.537 10 0 AFAERN Cc1cc(C(F)F)ncc1CF 238521292 573800408 /nfs/dbraw/zinc/80/04/08/573800408.db2.gz CCTCAWYRTHZOMD-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN Cc1cc2cnsc2cc1F 238515423 573800918 /nfs/dbraw/zinc/80/09/18/573800918.db2.gz BLIFYSDAVGQPJN-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN CON[C@@H](C)c1cccc(Cl)c1 108661799 573800956 /nfs/dbraw/zinc/80/09/56/573800956.db2.gz LPLFURDUBNTEGG-ZETCQYMHSA-N 0 0 185.654 2.552 10 0 AFAERN C[C@H](O)[C@H]1C[C@H]1CCc1ccccc1 308438853 573800973 /nfs/dbraw/zinc/80/09/73/573800973.db2.gz AMCDWHZVWKFFNA-CYZMBNFOSA-N 0 0 190.286 2.636 10 0 AFAERN Cc1cc(C(F)F)nc(C)c1F 238514509 573800987 /nfs/dbraw/zinc/80/09/87/573800987.db2.gz QDNLXEQHAARKDZ-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN CONCc1ccc(C(C)(C)F)cc1 258128708 573800999 /nfs/dbraw/zinc/80/09/99/573800999.db2.gz RGUKSKXQLWAXGF-UHFFFAOYSA-N 0 0 197.253 2.542 10 0 AFAERN CC(=O)C[C@H](O)C1CCCCCCC1 238126179 573801013 /nfs/dbraw/zinc/80/10/13/573801013.db2.gz XIOKXQRWJDJIGB-LBPRGKRZSA-N 0 0 198.306 2.687 10 0 AFAERN CCC(CC)C(=O)OC[C@@H]1C[C@H]1C 308443029 573801197 /nfs/dbraw/zinc/80/11/97/573801197.db2.gz ZVMNFYQRWVWJLJ-SCZZXKLOSA-N 0 0 184.279 2.622 10 0 AFAERN Cc1cccc2c(C[NH+](C)C)coc12 257878600 573801230 /nfs/dbraw/zinc/80/12/30/573801230.db2.gz JNTFBKNKDSNUMG-UHFFFAOYSA-N 0 0 189.258 2.803 10 0 AFAERN CC(=O)[C@H](F)C1CCCCCC1 257878554 573801246 /nfs/dbraw/zinc/80/12/46/573801246.db2.gz LNTQNVWPEKHPBR-JTQLQIEISA-N 0 0 172.243 2.884 10 0 AFAERN O=C1CCSCc2ccccc21 84238178 573801248 /nfs/dbraw/zinc/80/12/48/573801248.db2.gz GBBBXPRDQGJHPV-UHFFFAOYSA-N 0 0 178.256 2.506 10 0 AFAERN CCN(c1cc(C)ccc1N)C(C)C 87149577 573801279 /nfs/dbraw/zinc/80/12/79/573801279.db2.gz CISOALRWHMRIMQ-UHFFFAOYSA-N 0 0 192.306 2.812 10 0 AFAERN CON[C@H](C)c1ccc(Cl)cc1 108661779 573801310 /nfs/dbraw/zinc/80/13/10/573801310.db2.gz WNCMKOVRPMYDLL-SSDOTTSWSA-N 0 0 185.654 2.552 10 0 AFAERN Cc1ccc(N)c(N(C)CC(C)C)c1 87149593 573801483 /nfs/dbraw/zinc/80/14/83/573801483.db2.gz OMTLMQQSFGQPOO-UHFFFAOYSA-N 0 0 192.306 2.669 10 0 AFAERN CCN(c1cc(C)ccc1N)C1CC1 87149574 573801504 /nfs/dbraw/zinc/80/15/04/573801504.db2.gz OPCIKDIYCWMTON-UHFFFAOYSA-N 0 0 190.290 2.566 10 0 AFAERN C[Si](C)(C)Cc1occc1C=O 238528324 573802838 /nfs/dbraw/zinc/80/28/38/573802838.db2.gz SYTYFBWZXLXRRH-UHFFFAOYSA-N 0 0 182.295 2.512 10 0 AFAERN Nc1cc(-c2ccccc2O)cs1 258133997 573802845 /nfs/dbraw/zinc/80/28/45/573802845.db2.gz NWMRYYTWHLDLSP-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN COCCCCC(=O)C1CCCC1 127249580 573802864 /nfs/dbraw/zinc/80/28/64/573802864.db2.gz CFAFJBJRGFEQGC-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCOCCCCC(=O)C1CCCC1 127246705 573802089 /nfs/dbraw/zinc/80/20/89/573802089.db2.gz PEWBNEPUMJWRAS-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN Cc1[nH]c(=S)[nH]c1CCC(C)C 238128471 573802097 /nfs/dbraw/zinc/80/20/97/573802097.db2.gz QMEUFDKMTTWRJT-UHFFFAOYSA-N 0 0 184.308 2.969 10 0 AFAERN CC[C@H](C)N(C)c1cc(C)ccc1N 87149598 573802112 /nfs/dbraw/zinc/80/21/12/573802112.db2.gz UTYHGTGLVZYKIZ-JTQLQIEISA-N 0 0 192.306 2.812 10 0 AFAERN Cn1c(C2CCCC2)cnc1Cl 258428174 573802118 /nfs/dbraw/zinc/80/21/18/573802118.db2.gz DHQLPTPDQLPUCX-UHFFFAOYSA-N 0 0 184.670 2.731 10 0 AFAERN C=C/C=C\[C@H](O)/C=C/c1ccccc1 308443128 573802156 /nfs/dbraw/zinc/80/21/56/573802156.db2.gz HWKBQTHNDDWTIH-WOXGBHQCSA-N 0 0 186.254 2.803 10 0 AFAERN CCOCCCC(=O)C1CCCC1 127249346 573802166 /nfs/dbraw/zinc/80/21/66/573802166.db2.gz IILKQUOIBKAUCW-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN Cc1nc(COC(C)C)cn1C(C)C 258134011 573802190 /nfs/dbraw/zinc/80/21/90/573802190.db2.gz KJACLZIMJCPKPO-UHFFFAOYSA-N 0 0 196.294 2.697 10 0 AFAERN Cc1ccc2[nH]c(=S)n(C)c2c1 87150762 573802227 /nfs/dbraw/zinc/80/22/27/573802227.db2.gz FQQFBZJZDJGQPQ-UHFFFAOYSA-N 0 0 178.260 2.544 10 0 AFAERN O=C(CCc1ccoc1)C1CCCC1 127248754 573802228 /nfs/dbraw/zinc/80/22/28/573802228.db2.gz XDNWWQKNCJWMKY-UHFFFAOYSA-N 0 0 192.258 2.972 10 0 AFAERN CC(=C=CCCO)CC(C)C 238127183 573802408 /nfs/dbraw/zinc/80/24/08/573802408.db2.gz CJSXVFUVZFRPRA-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN CCCCc1ccc2[nH]cnc2c1 76208175 573802417 /nfs/dbraw/zinc/80/24/17/573802417.db2.gz FGQBDMCTWLXZIV-UHFFFAOYSA-N 0 0 174.247 2.906 10 0 AFAERN Nc1cscc1-c1cccc(O)c1 258134226 573802419 /nfs/dbraw/zinc/80/24/19/573802419.db2.gz NYPDAQYSEIGCAY-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN CCc1cccc(CC)c1CCCO 258133660 573802459 /nfs/dbraw/zinc/80/24/59/573802459.db2.gz RQYGZVBSYSQXOR-UHFFFAOYSA-N 0 0 192.302 2.736 10 0 AFAERN CC(C)(F)Oc1cccc2c1NCC2 258133184 573802518 /nfs/dbraw/zinc/80/25/18/573802518.db2.gz UVKVMHIEEPCZGC-UHFFFAOYSA-N 0 0 195.237 2.739 10 0 AFAERN Cc1ccc(N)c(NCCC2CC2)c1 87150374 573802524 /nfs/dbraw/zinc/80/25/24/573802524.db2.gz PMPOQCQSFPLOFE-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CCC(CC)[C@@H]1CCCC1=O 87158139 573802559 /nfs/dbraw/zinc/80/25/59/573802559.db2.gz NHCXQBULYQINNQ-VIFPVBQESA-N 0 0 154.253 2.792 10 0 AFAERN CSc1cc(C)c(O)cc1C(C)=O 258133681 573802640 /nfs/dbraw/zinc/80/26/40/573802640.db2.gz RRGXKLODGABXJX-UHFFFAOYSA-N 0 0 196.271 2.625 10 0 AFAERN C[C@H](O)[C@@H]1C[C@H]1CCc1ccccc1 308438854 573802665 /nfs/dbraw/zinc/80/26/65/573802665.db2.gz AMCDWHZVWKFFNA-UHTWSYAYSA-N 0 0 190.286 2.636 10 0 AFAERN C=C/C=C\[C@H](O)/C=C\c1ccccc1 308443126 573802693 /nfs/dbraw/zinc/80/26/93/573802693.db2.gz HWKBQTHNDDWTIH-MJTVPYPYSA-N 0 0 186.254 2.803 10 0 AFAERN O=C(CCCCCCO)C1CCCC1 127251835 573802747 /nfs/dbraw/zinc/80/27/47/573802747.db2.gz MOBNVLMOBVSMFL-UHFFFAOYSA-N 0 0 198.306 2.689 10 0 AFAERN CC(=O)C[C@H]1CC(C)=CC1(C)C 238128167 573802783 /nfs/dbraw/zinc/80/27/83/573802783.db2.gz MEVAOZCYKHBVBU-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1ccc(N)c(NCC2CCC2)c1 87149617 573802968 /nfs/dbraw/zinc/80/29/68/573802968.db2.gz KNWXIIXXXZHSLJ-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN COCc1csc2ccc(N)cc12 258131683 573803001 /nfs/dbraw/zinc/80/30/01/573803001.db2.gz VCTCFRWRGPUZGI-UHFFFAOYSA-N 0 0 193.271 2.630 10 0 AFAERN CC[C@H](C)C1(CO)CC2(CCC2)C1 642820247 573803043 /nfs/dbraw/zinc/80/30/43/573803043.db2.gz KYHRMNQZSQTVKX-JTQLQIEISA-N 0 0 182.307 2.975 10 0 AFAERN COc1c(F)cc(C2CC2)cc1C=O 84238489 573803048 /nfs/dbraw/zinc/80/30/48/573803048.db2.gz VSBZCQVHVRHAKD-UHFFFAOYSA-N 0 0 194.205 2.524 10 0 AFAERN CCC(CC)[C@H](C)C(C)=O 87158135 573803175 /nfs/dbraw/zinc/80/31/75/573803175.db2.gz WZVCAPFOALTDCK-SSDOTTSWSA-N 0 0 142.242 2.648 10 0 AFAERN CC[C@H](C)Nc1cc(C)ccc1N 87149459 573803262 /nfs/dbraw/zinc/80/32/62/573803262.db2.gz QXNZCBJGYCDJMZ-VIFPVBQESA-N 0 0 178.279 2.788 10 0 AFAERN Cc1ccc(N)c(NC(C)(C)C)c1 87149530 573803303 /nfs/dbraw/zinc/80/33/03/573803303.db2.gz UCNZSCKCBUTJST-UHFFFAOYSA-N 0 0 178.279 2.788 10 0 AFAERN CC(C)=C1CCC(=O)CC1 238120778 573803321 /nfs/dbraw/zinc/80/33/21/573803321.db2.gz PFUBXKUOEHRNCX-UHFFFAOYSA-N 0 0 138.210 2.949 10 0 AFAERN CC[C@@H](C)N(C)c1cc(C)ccc1N 87149595 573803325 /nfs/dbraw/zinc/80/33/25/573803325.db2.gz UTYHGTGLVZYKIZ-SNVBAGLBSA-N 0 0 192.306 2.812 10 0 AFAERN Cc1c(N)ccc2cccc(F)c12 258135385 573803446 /nfs/dbraw/zinc/80/34/46/573803446.db2.gz KONVJUWYTSPQDD-UHFFFAOYSA-N 0 0 175.206 2.870 10 0 AFAERN CC(C)(O)CCCC(=O)C1CCCC1 127243245 573803451 /nfs/dbraw/zinc/80/34/51/573803451.db2.gz YQDYGWGONQMJNS-UHFFFAOYSA-N 0 0 198.306 2.687 10 0 AFAERN C/C=C(/C)[C@H]1CCCCC1=O 224693999 573803452 /nfs/dbraw/zinc/80/34/52/573803452.db2.gz JFOMXZBXAZOXHO-PTDYZRSTSA-N 0 0 152.237 2.712 10 0 AFAERN Fc1ccc2oncc2c1Cl 238528132 573803481 /nfs/dbraw/zinc/80/34/81/573803481.db2.gz IQUUAUGTKDNOAO-UHFFFAOYSA-N 0 0 171.558 2.620 10 0 AFAERN CCN(C)c1ccc2oc(C)nc2c1 259194998 573803483 /nfs/dbraw/zinc/80/34/83/573803483.db2.gz VZIKACCBEQCSKP-UHFFFAOYSA-N 0 0 190.246 2.592 10 0 AFAERN OC1(CCc2ccco2)CCCC1 258135706 573803509 /nfs/dbraw/zinc/80/35/09/573803509.db2.gz VABAGSHOWGYXMB-UHFFFAOYSA-N 0 0 180.247 2.517 10 0 AFAERN CON[C@@H](C)c1ccc(Cl)cc1 108661777 573803523 /nfs/dbraw/zinc/80/35/23/573803523.db2.gz WNCMKOVRPMYDLL-ZETCQYMHSA-N 0 0 185.654 2.552 10 0 AFAERN C[C@H]1C[C@@]12C=CCC(C)(C)C2=O 238516576 573803549 /nfs/dbraw/zinc/80/35/49/573803549.db2.gz ALTSYIFRTOAFSB-KWQFWETISA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cc(Cl)nc(C(F)F)c1O 238516785 573803621 /nfs/dbraw/zinc/80/36/21/573803621.db2.gz QZEKBFGQISPYRA-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CO[C@H](C)C(C)(C)c1cccc(O)c1 258134243 573803639 /nfs/dbraw/zinc/80/36/39/573803639.db2.gz QNJQIPXQOYNXQC-SECBINFHSA-N 0 0 194.274 2.705 10 0 AFAERN O=C(CCCCF)C1CCCC1 127244636 573803678 /nfs/dbraw/zinc/80/36/78/573803678.db2.gz FIGFETUBRDCXGS-UHFFFAOYSA-N 0 0 172.243 2.886 10 0 AFAERN CC(C)(C)c1ccnc(Cl)c1C=O 238128385 573803681 /nfs/dbraw/zinc/80/36/81/573803681.db2.gz RXDGQVACVLEXOF-UHFFFAOYSA-N 0 0 197.665 2.845 10 0 AFAERN Cc1cc2c(cc1O)cc(C)n2C 238515741 573803729 /nfs/dbraw/zinc/80/37/29/573803729.db2.gz KICKWIFPOJOHAA-UHFFFAOYSA-N 0 0 175.231 2.501 10 0 AFAERN CCC(CC)[C@H]1CCCC1=O 87158142 573803745 /nfs/dbraw/zinc/80/37/45/573803745.db2.gz NHCXQBULYQINNQ-SECBINFHSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@@H](C)C(=O)[C@@H]1CCCCO1 233271207 573805814 /nfs/dbraw/zinc/80/58/14/573805814.db2.gz JFIQENPDUJNNOD-ZJUUUORDSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@H](O)c1cc2cccc(O)c2s1 258134538 573805821 /nfs/dbraw/zinc/80/58/21/573805821.db2.gz KKWYYHYWDWMEKC-ZCFIWIBFSA-N 0 0 194.255 2.660 10 0 AFAERN C[C@]12CCC[C@@]13C[C@@H]2CCC3=O 238516383 573806735 /nfs/dbraw/zinc/80/67/35/573806735.db2.gz UKGCUCIEZORADS-GDPRMGEGSA-N 0 0 164.248 2.546 10 0 AFAERN Cc1ccc2c(C)c(N)cc(C)c2n1 238516590 573805868 /nfs/dbraw/zinc/80/58/68/573805868.db2.gz MPPMTEHVSYYIJK-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN CON[C@H](C)c1cccc(Cl)c1 108661803 573805898 /nfs/dbraw/zinc/80/58/98/573805898.db2.gz LPLFURDUBNTEGG-SSDOTTSWSA-N 0 0 185.654 2.552 10 0 AFAERN Cc1c2c(nc3ccccc13)NCC2 238516442 573805901 /nfs/dbraw/zinc/80/59/01/573805901.db2.gz XEEXGRGZLYKRDT-UHFFFAOYSA-N 0 0 184.242 2.511 10 0 AFAERN CCC(CC)[C@@](C)(O)C(C)C 87158422 573805907 /nfs/dbraw/zinc/80/59/07/573805907.db2.gz FQPXAHMKUGVARM-JTQLQIEISA-N 0 0 158.285 2.830 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]2CC=CCC[C@H]21 238515689 573805921 /nfs/dbraw/zinc/80/59/21/573805921.db2.gz JDBPHRFBNNPMTO-GUBZILKMSA-N 0 0 164.248 2.568 10 0 AFAERN COc1ccc2ncc(F)c(C)c2c1 257881506 573805944 /nfs/dbraw/zinc/80/59/44/573805944.db2.gz VLQCEPYWXGBOSV-UHFFFAOYSA-N 0 0 191.205 2.691 10 0 AFAERN CO[C@@H](C)C(C)(C)c1cccc(O)c1 258134246 573805945 /nfs/dbraw/zinc/80/59/45/573805945.db2.gz QNJQIPXQOYNXQC-VIFPVBQESA-N 0 0 194.274 2.705 10 0 AFAERN Cc1ccc([C@@]2(CO)C[C@H]2C)cc1C 258959097 573805981 /nfs/dbraw/zinc/80/59/81/573805981.db2.gz GLMOMCZNNKVFIZ-DGCLKSJQSA-N 0 0 190.286 2.573 10 0 AFAERN CCC(CC)[C@](C)(O)C(C)C 87158421 573806047 /nfs/dbraw/zinc/80/60/47/573806047.db2.gz FQPXAHMKUGVARM-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN COCCCCC(C)(C)CC(C)=O 131286011 573806099 /nfs/dbraw/zinc/80/60/99/573806099.db2.gz REFKZBOFTZDMCW-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN Cc1cc(Cl)nc(C(F)F)c1 238516190 573806114 /nfs/dbraw/zinc/80/61/14/573806114.db2.gz RFZSFCGWTCDGSS-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN Cc1cc[nH]c1Cc1ccccc1 238528070 573806189 /nfs/dbraw/zinc/80/61/89/573806189.db2.gz FAPCUSDJTAAADL-UHFFFAOYSA-N 0 0 171.243 2.914 10 0 AFAERN CCC(CC)C[C@@H](O)CC 87171624 573806210 /nfs/dbraw/zinc/80/62/10/573806210.db2.gz LIQZCQYEMARHFR-VIFPVBQESA-N 0 0 144.258 2.584 10 0 AFAERN CCC(=O)CCCCCCOC 131283494 573806282 /nfs/dbraw/zinc/80/62/82/573806282.db2.gz KDTNYXMLKORJFC-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN Cc1ccc2ccc(F)c(O)c2c1 238528038 573806326 /nfs/dbraw/zinc/80/63/26/573806326.db2.gz MGAYZHUVHGLKKP-UHFFFAOYSA-N 0 0 176.190 2.993 10 0 AFAERN CCC(CC)[C@]1(O)CCC[C@@H]1C 87158821 573806356 /nfs/dbraw/zinc/80/63/56/573806356.db2.gz WWETZTCFHAOPHI-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccc2nc(=S)[nH]c-2c1 238528128 573806390 /nfs/dbraw/zinc/80/63/90/573806390.db2.gz IVAUEXHWTPUKPB-UHFFFAOYSA-N 0 0 176.244 2.552 10 0 AFAERN CCC(CC)[C@@H](O)C1CCC1 87169536 573806461 /nfs/dbraw/zinc/80/64/61/573806461.db2.gz JEECUBYXIOXQSM-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CCc1nc(Cl)c2n1C[C@H](C)CC2 258131814 573806505 /nfs/dbraw/zinc/80/65/05/573806505.db2.gz GJBZUOVNTCVFPA-SSDOTTSWSA-N 0 0 198.697 2.681 10 0 AFAERN CCc1ccc(C(N)=O)c2ccccc12 238354017 573806544 /nfs/dbraw/zinc/80/65/44/573806544.db2.gz FFRLVLZIAHHMNL-UHFFFAOYSA-N 0 0 199.253 2.501 10 0 AFAERN Cc1cc(Cl)cnc1OC1CCC1 238515587 573806561 /nfs/dbraw/zinc/80/65/61/573806561.db2.gz QKOAHPTXXDVDET-UHFFFAOYSA-N 0 0 197.665 2.975 10 0 AFAERN CCC(CC)[C@@]1(O)CS[C@H](C)C1 87158977 573806573 /nfs/dbraw/zinc/80/65/73/573806573.db2.gz TZSRETGQSCXMSB-SCZZXKLOSA-N 0 0 188.336 2.679 10 0 AFAERN CCCC(=O)CCCCCCOC 131283685 573806609 /nfs/dbraw/zinc/80/66/09/573806609.db2.gz GYUKSQXQDUEMPO-UHFFFAOYSA-N 0 0 186.295 2.953 10 0 AFAERN Cc1cc(Cl)nc(C(F)F)c1N 238516719 573806612 /nfs/dbraw/zinc/80/66/12/573806612.db2.gz PMAICZCJGNSOSK-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C[C@@H]1C(=O)C[C@@]2(C)CCCC[C@@H]12 238516140 573806629 /nfs/dbraw/zinc/80/66/29/573806629.db2.gz PIMOOPGQYDNBKQ-ATZCPNFKSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc(F)ccc1SO 259196017 573806653 /nfs/dbraw/zinc/80/66/53/573806653.db2.gz JYKCBUDIHVBQNY-UHFFFAOYSA-N 0 0 158.197 2.699 10 0 AFAERN Cc1ccc(C2(C)COC2)cc1C 259195654 573806657 /nfs/dbraw/zinc/80/66/57/573806657.db2.gz XEZVFRLPNIGYPT-UHFFFAOYSA-N 0 0 176.259 2.591 10 0 AFAERN CC(C)CC(F)(F)[C@@H]1CCCCN1 257882335 573810193 /nfs/dbraw/zinc/81/01/93/573810193.db2.gz VQIUNSPEOSAOBN-VIFPVBQESA-N 0 0 191.265 2.810 10 0 AFAERN Cc1cccc2c1[C@@H]1C=CC=NC1=N2 238529527 573810207 /nfs/dbraw/zinc/81/02/07/573810207.db2.gz HHOVZPOVYKVVIG-VIFPVBQESA-N 0 0 182.226 2.763 10 0 AFAERN Cc1cccc2c1-n1cccc1C2 238529353 573809271 /nfs/dbraw/zinc/80/92/71/573809271.db2.gz JAAHQBMQZLZTEC-UHFFFAOYSA-N 0 0 169.227 2.690 10 0 AFAERN CCC(CC)[C@@]1(O)CC[C@@H](C)C1 87158747 573809313 /nfs/dbraw/zinc/80/93/13/573809313.db2.gz ACYQGBCPGDAZFW-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(CC)C1(O)CCCC1 87158348 573809389 /nfs/dbraw/zinc/80/93/89/573809389.db2.gz ZQWDJEQEFWROLG-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN CC1C(=S)C2=CNC=CN2C1=S 100536055 573809404 /nfs/dbraw/zinc/80/94/04/573809404.db2.gz MZHFUYVOVGDQAY-UHFFFAOYSA-N 0 0 196.300 2.570 10 0 AFAERN Cc1ccc(C)n1[C@]1(C)CCO[C@@H]1C 235652587 573809405 /nfs/dbraw/zinc/80/94/05/573809405.db2.gz WDRDQEHIONVYKS-VXGBXAGGSA-N 0 0 193.290 2.629 10 0 AFAERN CCC(CC)[C@@]1(O)CS[C@@H](C)C1 87158974 573809418 /nfs/dbraw/zinc/80/94/18/573809418.db2.gz TZSRETGQSCXMSB-WPRPVWTQSA-N 0 0 188.336 2.679 10 0 AFAERN CC(=O)C[C@@H]1CCCC[C@H]1C 209749022 573809424 /nfs/dbraw/zinc/80/94/24/573809424.db2.gz JEPAEWIODZMTCB-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(CC)[C@H](O)C1CCC1 87169535 573809466 /nfs/dbraw/zinc/80/94/66/573809466.db2.gz JEECUBYXIOXQSM-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN c1ccc2c(c1)NC[C@@H]1CC[C@H]21 238123495 573809510 /nfs/dbraw/zinc/80/95/10/573809510.db2.gz OAIQMTNRHCASEL-IUCAKERBSA-N 0 0 159.232 2.606 10 0 AFAERN CC(C)(C)[C@@H](CO)c1ccccc1F 258136195 573809566 /nfs/dbraw/zinc/80/95/66/573809566.db2.gz QRZFURKZLVRAGK-JTQLQIEISA-N 0 0 196.265 2.948 10 0 AFAERN CCC(CC)[C@@H](C)[C@H](O)CC 87171707 573809573 /nfs/dbraw/zinc/80/95/73/573809573.db2.gz XVSHXHABYNUHNI-PSASIEDQSA-N 0 0 158.285 2.830 10 0 AFAERN COC(=O)/C=C(\C)CC1CCCC1 222011856 573809592 /nfs/dbraw/zinc/80/95/92/573809592.db2.gz FQGZVNXZWKEXMZ-CMDGGOBGSA-N 0 0 182.263 2.686 10 0 AFAERN CC(C)=C1CC[C@]1(C)CCO 238123148 573809594 /nfs/dbraw/zinc/80/95/94/573809594.db2.gz MNJKOHHLIIQHGM-SNVBAGLBSA-N 0 0 154.253 2.505 10 0 AFAERN Cc1cc(NC2CC2)c(N)cc1Cl 258955844 573809604 /nfs/dbraw/zinc/80/96/04/573809604.db2.gz MCRYTDSWXRAWKJ-UHFFFAOYSA-N 0 0 196.681 2.805 10 0 AFAERN CC(C)(C)C(=O)C12CC3C[C@H]1[C@H]2C3 238121307 573809614 /nfs/dbraw/zinc/80/96/14/573809614.db2.gz OUOLTHJFBPEEND-UVSREPBJSA-N 0 0 178.275 2.648 10 0 AFAERN CCC(CC)[C@@]1(O)CC[C@H](C)C1 87158743 573809647 /nfs/dbraw/zinc/80/96/47/573809647.db2.gz ACYQGBCPGDAZFW-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(CC)[C@](C)(O)C1CC1 87158424 573809677 /nfs/dbraw/zinc/80/96/77/573809677.db2.gz QXJAEVMKFFKNMC-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cccc2c1[C@H]1C=CC=NC1=N2 238529505 573809735 /nfs/dbraw/zinc/80/97/35/573809735.db2.gz HHOVZPOVYKVVIG-SECBINFHSA-N 0 0 182.226 2.763 10 0 AFAERN CCC(CC)[C@]1(O)CC[C@H](C)C1 87158740 573809740 /nfs/dbraw/zinc/80/97/40/573809740.db2.gz ACYQGBCPGDAZFW-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(O)c([C@H]2CCC(=O)C2)c1 238530263 573809746 /nfs/dbraw/zinc/80/97/46/573809746.db2.gz SVRKXQJREQNFTD-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN CC(C)(C)c1ccc(CO)c(Cl)n1 238122256 573809753 /nfs/dbraw/zinc/80/97/53/573809753.db2.gz NOTOWVLNANKCMW-UHFFFAOYSA-N 0 0 199.681 2.525 10 0 AFAERN Cc1cccc(Oc2ncco2)c1 257882626 573809754 /nfs/dbraw/zinc/80/97/54/573809754.db2.gz KLPFSCXQHYLBJS-UHFFFAOYSA-N 0 0 175.187 2.775 10 0 AFAERN CC(C)=C1CC[C@@]1(C)CCO 238122360 573809823 /nfs/dbraw/zinc/80/98/23/573809823.db2.gz MNJKOHHLIIQHGM-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN CC(=O)[C@@]12CCC(=C(C)C)[C@@H]1C2 238122447 573809957 /nfs/dbraw/zinc/80/99/57/573809957.db2.gz RGOQDWYBVOMVIQ-QWRGUYRKSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)(C)[C@H](CO)c1ccccc1F 258136197 573809988 /nfs/dbraw/zinc/80/99/88/573809988.db2.gz QRZFURKZLVRAGK-SNVBAGLBSA-N 0 0 196.265 2.948 10 0 AFAERN CC(C)=C1CC[C@@](C)(CO)C1 238122239 573810062 /nfs/dbraw/zinc/81/00/62/573810062.db2.gz NWCLJGWHJCRMEX-SNVBAGLBSA-N 0 0 154.253 2.505 10 0 AFAERN CC(C)=C1C[C@@H]2C[C@H]1C(C)(C)C2=O 238123986 573810090 /nfs/dbraw/zinc/81/00/90/573810090.db2.gz KDKUUWMGKLKYCU-PSASIEDQSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)=C1CCCC[C@H]1CCO 238121234 573810113 /nfs/dbraw/zinc/81/01/13/573810113.db2.gz HKHBBKADXSLXHQ-JTQLQIEISA-N 0 0 168.280 2.895 10 0 AFAERN Cc1cc(F)cc2c1CC[C@@H]2CCO 238530103 573810126 /nfs/dbraw/zinc/81/01/26/573810126.db2.gz JZIDFXYKBQSKKS-SECBINFHSA-N 0 0 194.249 2.546 10 0 AFAERN CC(C)(C)c1onc2ccc(O)cc12 257879422 573810139 /nfs/dbraw/zinc/81/01/39/573810139.db2.gz VGHCUPRBPMLNEB-UHFFFAOYSA-N 0 0 191.230 2.831 10 0 AFAERN Cc1cc(-c2[nH]c(C)cc2C)on1 238529850 573810171 /nfs/dbraw/zinc/81/01/71/573810171.db2.gz RVDQCCPASMLMQW-UHFFFAOYSA-N 0 0 176.219 2.595 10 0 AFAERN CC(=O)Nc1cccc2c1C(C)=CC2 238122510 573812493 /nfs/dbraw/zinc/81/24/93/573812493.db2.gz LXRWPMGBWTZQGL-UHFFFAOYSA-N 0 0 187.242 2.604 10 0 AFAERN CCC(CC)[C@@H]1CC[C@H](O)C1 87175023 573812499 /nfs/dbraw/zinc/81/24/99/573812499.db2.gz JFHOOFONVFELSV-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)=C1CCCCC[C@H]1O 238121027 573811645 /nfs/dbraw/zinc/81/16/45/573811645.db2.gz YCOSBUZFDYIVGO-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(CC)[C@H]1CC[C@@H](O)C1 87175033 573811646 /nfs/dbraw/zinc/81/16/46/573811646.db2.gz JFHOOFONVFELSV-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)=C1CCCC[C@@H]1CCO 238121150 573811687 /nfs/dbraw/zinc/81/16/87/573811687.db2.gz HKHBBKADXSLXHQ-SNVBAGLBSA-N 0 0 168.280 2.895 10 0 AFAERN Cc1cnc(Oc2ccccc2F)o1 257882724 573811747 /nfs/dbraw/zinc/81/17/47/573811747.db2.gz KNCVDXZMTBJKTM-UHFFFAOYSA-N 0 0 193.177 2.914 10 0 AFAERN CC(C)=C1CCCCC[C@@H]1O 238120997 573811750 /nfs/dbraw/zinc/81/17/50/573811750.db2.gz YCOSBUZFDYIVGO-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](C)C1(CO)CCCCC1 87176079 573811783 /nfs/dbraw/zinc/81/17/83/573811783.db2.gz CXHLZQDUIXTBMO-JTQLQIEISA-N 0 0 170.296 2.975 10 0 AFAERN CCCC[C@@H](CC)C[C@@H](O)COC 43456420 573811843 /nfs/dbraw/zinc/81/18/43/573811843.db2.gz JUFQOHSGEMJSBB-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN Cc1cc(F)cc2c1CC(C)(C)C2=O 238529475 573811965 /nfs/dbraw/zinc/81/19/65/573811965.db2.gz QMVGCHPVKQVRHG-UHFFFAOYSA-N 0 0 192.233 2.899 10 0 AFAERN OCC/C=C\Cc1cccc(Cl)c1 258140869 573812027 /nfs/dbraw/zinc/81/20/27/573812027.db2.gz JSRAKPPZODBLOS-UPHRSURJSA-N 0 0 196.677 2.821 10 0 AFAERN c1ccc2c(c1)NC[C@H]1CC[C@H]21 238123684 573812116 /nfs/dbraw/zinc/81/21/16/573812116.db2.gz OAIQMTNRHCASEL-BDAKNGLRSA-N 0 0 159.232 2.606 10 0 AFAERN OCc1ccc([C@@H]2C[C@H]2C(F)F)cc1 258140017 573812250 /nfs/dbraw/zinc/81/22/50/573812250.db2.gz QYSWNGVCWHBEOT-VHSXEESVSA-N 0 0 198.212 2.548 10 0 AFAERN Cc1nc(Cl)c(C(F)F)cc1N 238529986 573812299 /nfs/dbraw/zinc/81/22/99/573812299.db2.gz OGWHXLJDWIFSLB-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCC(CC)[C@H]1CCC[C@H](O)C1 87175038 573812326 /nfs/dbraw/zinc/81/23/26/573812326.db2.gz JWOGUWUHWCYFDQ-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CC(=O)[C@]12CCC(=C(C)C)[C@H]1C2 238123238 573812330 /nfs/dbraw/zinc/81/23/30/573812330.db2.gz RGOQDWYBVOMVIQ-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN CSc1ccc(C2(O)CC2)c(C)c1 258140956 573812336 /nfs/dbraw/zinc/81/23/36/573812336.db2.gz SMSMJZIDGHTCFR-UHFFFAOYSA-N 0 0 194.299 2.698 10 0 AFAERN Cc1ccc(O)c([C@@H]2CCC(=O)C2)c1 238529448 573812344 /nfs/dbraw/zinc/81/23/44/573812344.db2.gz SVRKXQJREQNFTD-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN CC(C)=C1CCC[C@@H]1CCO 238121417 573812390 /nfs/dbraw/zinc/81/23/90/573812390.db2.gz RFXYZFZPIYOLIK-SECBINFHSA-N 0 0 154.253 2.505 10 0 AFAERN CCC(CC)[C@@H]1CCC[C@H](O)C1 87175035 573812412 /nfs/dbraw/zinc/81/24/12/573812412.db2.gz JWOGUWUHWCYFDQ-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CC(=O)[C@H]1CSc2ccc(C)cc21 258139404 573812444 /nfs/dbraw/zinc/81/24/44/573812444.db2.gz QHWPUKXHGSYECI-SNVBAGLBSA-N 0 0 192.283 2.773 10 0 AFAERN Cc1ccc(COC(C)C)c(N)c1 258147949 573819555 /nfs/dbraw/zinc/81/95/55/573819555.db2.gz PFKGNLMIJGFOEK-UHFFFAOYSA-N 0 0 179.263 2.502 10 0 AFAERN CSc1cc(C2(O)CC2)ccc1F 258148580 573819560 /nfs/dbraw/zinc/81/95/60/573819560.db2.gz ONXZDJKFNJAAKI-UHFFFAOYSA-N 0 0 198.262 2.529 10 0 AFAERN CC(C)=CC(C)(C)[C@@H]1CC=C[C@H]1O 238138217 573819566 /nfs/dbraw/zinc/81/95/66/573819566.db2.gz PTTOAAJFKXRLPO-GHMZBOCLSA-N 0 0 180.291 2.916 10 0 AFAERN Cc1cc(C)c(Cl)c(C[C@H](C)O)c1 258148619 573819585 /nfs/dbraw/zinc/81/95/85/573819585.db2.gz OOVLZNUEZYIAGM-VIFPVBQESA-N 0 0 198.693 2.880 10 0 AFAERN C[C@@H](O)c1cccc2c1CCCS2 258147845 573818886 /nfs/dbraw/zinc/81/88/86/573818886.db2.gz TVMWDRXUNBSYFY-MRVPVSSYSA-N 0 0 194.299 2.778 10 0 AFAERN C[C@H](O)Cc1ccccc1C[C@@H](C)F 258147748 573818896 /nfs/dbraw/zinc/81/88/96/573818896.db2.gz SZWASAVEJWALQZ-ZJUUUORDSA-N 0 0 196.265 2.510 10 0 AFAERN CC(=O)[C@@H](F)C1(C)CCCCC1 238139035 573818906 /nfs/dbraw/zinc/81/89/06/573818906.db2.gz OYDYSOJTRUNHNC-SECBINFHSA-N 0 0 172.243 2.884 10 0 AFAERN CCOCc1coc2c(O)cccc12 258145662 573818916 /nfs/dbraw/zinc/81/89/16/573818916.db2.gz WEPZLMGMLIJHSD-UHFFFAOYSA-N 0 0 192.214 2.675 10 0 AFAERN CC(C)=CC(C)(C)[C@H]1CC=C[C@@H]1O 238138336 573819029 /nfs/dbraw/zinc/81/90/29/573819029.db2.gz PTTOAAJFKXRLPO-QWRGUYRKSA-N 0 0 180.291 2.916 10 0 AFAERN Clc1ncccc1[C@@H]1CCCCO1 238524348 573819620 /nfs/dbraw/zinc/81/96/20/573819620.db2.gz AZJINLHUEQEUOV-VIFPVBQESA-N 0 0 197.665 2.977 10 0 AFAERN Cc1nc2c([C@H](C)O)cccc2s1 258148089 573819097 /nfs/dbraw/zinc/81/90/97/573819097.db2.gz TYGQCPQMLKOMQK-LURJTMIESA-N 0 0 193.271 2.658 10 0 AFAERN Cc1cc(F)c(C(F)F)nc1F 238523353 573819206 /nfs/dbraw/zinc/81/92/06/573819206.db2.gz OUOPIXDZNNHNSF-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Cc1cc(F)c([C@H](O)C2CC2)cc1F 87189227 573819310 /nfs/dbraw/zinc/81/93/10/573819310.db2.gz HMRXAYMMSFVKDV-LLVKDONJSA-N 0 0 198.212 2.717 10 0 AFAERN CC(C)=CC(C)(C)[C@H]1C=C[C@H](O)C1 238138257 573819325 /nfs/dbraw/zinc/81/93/25/573819325.db2.gz CSFBBHCXRVJEIJ-QWRGUYRKSA-N 0 0 180.291 2.916 10 0 AFAERN CC(=O)Cc1cccc2c(C)c[nH]c12 258145875 573819359 /nfs/dbraw/zinc/81/93/59/573819359.db2.gz QQTSMDPRYDTVQE-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC(C)=CC(C)(C)[C@H]1C=C[C@@H](O)C1 238138283 573819362 /nfs/dbraw/zinc/81/93/62/573819362.db2.gz CSFBBHCXRVJEIJ-WDEREUQCSA-N 0 0 180.291 2.916 10 0 AFAERN Cc1c[nH]c(Cl)c(C(F)F)c1=O 238523073 573819380 /nfs/dbraw/zinc/81/93/80/573819380.db2.gz RPHQWTFZFSPUQL-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CC(F)(F)c1cccc(C2(O)CC2)c1 258147985 573819383 /nfs/dbraw/zinc/81/93/83/573819383.db2.gz TWUWYNWCIHDDRF-UHFFFAOYSA-N 0 0 198.212 2.780 10 0 AFAERN Brc1ccn2ccccc12 84308393 573819455 /nfs/dbraw/zinc/81/94/55/573819455.db2.gz AIKOXNRIBOPIMD-UHFFFAOYSA-N 0 0 196.047 2.702 10 0 AFAERN C[C@H](O)c1cccc2c1CCCS2 258147849 573820663 /nfs/dbraw/zinc/82/06/63/573820663.db2.gz TVMWDRXUNBSYFY-QMMMGPOBSA-N 0 0 194.299 2.778 10 0 AFAERN Cc1cccc(-c2ccccc2O)n1 238523854 573820689 /nfs/dbraw/zinc/82/06/89/573820689.db2.gz OZYITSAAZSBQDU-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CCN(CC)c1cccc2c1NCC2 257883471 573820779 /nfs/dbraw/zinc/82/07/79/573820779.db2.gz VWGMQLAOILOVQN-UHFFFAOYSA-N 0 0 190.290 2.501 10 0 AFAERN Cc1ccc2c(O)c(C)cc(O)c2c1 238523386 573820829 /nfs/dbraw/zinc/82/08/29/573820829.db2.gz FJUKNFHPNLGNOQ-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN Cc1ccc2c(O)c(C)c(O)cc2c1 238523333 573820867 /nfs/dbraw/zinc/82/08/67/573820867.db2.gz DKFRGUXLIJXQDA-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN CC(C)(C)C1=CCCCC[C@H]1O 238137466 573820879 /nfs/dbraw/zinc/82/08/79/573820879.db2.gz CUGSTNHWWHGARN-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1ccc(N[C@H]2CCC(=O)C2)cc1 238523242 573820880 /nfs/dbraw/zinc/82/08/80/573820880.db2.gz JGKZQBLKOZNUFL-NSHDSACASA-N 0 0 189.258 2.529 10 0 AFAERN Clc1ccc(NCC2CCC2)cn1 122763820 573820905 /nfs/dbraw/zinc/82/09/05/573820905.db2.gz OOEOBYKFWPTKBH-UHFFFAOYSA-N 0 0 196.681 2.947 10 0 AFAERN CC(C)CC[C@H](O)c1ncccc1F 131200900 573821126 /nfs/dbraw/zinc/82/11/26/573821126.db2.gz KVGSFNSPBLBUSJ-JTQLQIEISA-N 0 0 197.253 2.690 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@H](O)CCC2 87189664 573821287 /nfs/dbraw/zinc/82/12/87/573821287.db2.gz IEFRXERERVYZFK-SECBINFHSA-N 0 0 198.212 2.643 10 0 AFAERN C[C@@H](F)c1ccc(CC2(O)CC2)cc1 258147912 573821304 /nfs/dbraw/zinc/82/13/04/573821304.db2.gz TWHVICMSALTRFD-SECBINFHSA-N 0 0 194.249 2.785 10 0 AFAERN CC(C)CNC(=O)C(C(C)C)C(C)C 308447347 573821344 /nfs/dbraw/zinc/82/13/44/573821344.db2.gz BEHMSKKGVZSAOQ-UHFFFAOYSA-N 0 0 199.338 2.687 10 0 AFAERN OCc1cc(Cl)c(F)cc1Cl 198582330 573822429 /nfs/dbraw/zinc/82/24/29/573822429.db2.gz KTNRJNXVTQBQDZ-UHFFFAOYSA-N 0 0 195.020 2.625 10 0 AFAERN CC(C)[C@@H]1CCc2[nH]c(=S)[nH]c2C1 87200503 573822491 /nfs/dbraw/zinc/82/24/91/573822491.db2.gz IOZFIQRMIUFRBX-SSDOTTSWSA-N 0 0 196.319 2.833 10 0 AFAERN Cc1cc(C2CC(O)C2)cc(C)c1F 87200335 573822498 /nfs/dbraw/zinc/82/24/98/573822498.db2.gz WIMSGGMHOYOIGP-UHFFFAOYSA-N 0 0 194.249 2.681 10 0 AFAERN O=C1CCC[C@H]2CCC[C@@H]1C2 222706125 573822506 /nfs/dbraw/zinc/82/25/06/573822506.db2.gz YJZIXCPJQYPYGG-RKDXNWHRSA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)=C1C[C@H]2CCCC(=O)[C@H]12 238129080 573822508 /nfs/dbraw/zinc/82/25/08/573822508.db2.gz DTHFEXHXYPSSKO-KCJUWKMLSA-N 0 0 164.248 2.712 10 0 AFAERN Oc1ccc([C@H]2CCCS2)cc1 257883351 573822520 /nfs/dbraw/zinc/82/25/20/573822520.db2.gz MKSQVIZBVCRQIJ-SNVBAGLBSA-N 0 0 180.272 2.960 10 0 AFAERN Cc1ccc(C)c(C2CC(O)C2)c1 87200250 573822553 /nfs/dbraw/zinc/82/25/53/573822553.db2.gz JAKMGTJOLDKLET-UHFFFAOYSA-N 0 0 176.259 2.542 10 0 AFAERN CC[C@@H](C)[C@H](CO)Nc1ccccc1 41050490 573822561 /nfs/dbraw/zinc/82/25/61/573822561.db2.gz GAWJUIQOJZQHRA-PWSUYJOCSA-N 0 0 193.290 2.506 10 0 AFAERN CC(C)/C=C/C(=O)O[C@H](C)C1CC1 388679683 573822568 /nfs/dbraw/zinc/82/25/68/573822568.db2.gz ZWUFGCUYDVOLAK-ILFKPUCNSA-N 0 0 182.263 2.540 10 0 AFAERN CC(=O)c1ccc(C(C)(C)C)[nH]1 238139652 573822587 /nfs/dbraw/zinc/82/25/87/573822587.db2.gz QUNOPGVVGVQAPJ-UHFFFAOYSA-N 0 0 165.236 2.515 10 0 AFAERN Cc1cc(C2CC(=O)C2)ccc1F 87199272 573822592 /nfs/dbraw/zinc/82/25/92/573822592.db2.gz ZYBQIDGVRIHPQH-UHFFFAOYSA-N 0 0 178.206 2.581 10 0 AFAERN CCCCCC[C@@H]1CC[C@H](CO)C1=O 215418799 573822647 /nfs/dbraw/zinc/82/26/47/573822647.db2.gz RYFGRKQQUNVDCP-GHMZBOCLSA-N 0 0 198.306 2.544 10 0 AFAERN O=C1CC[C@@H](c2cccnc2Cl)C1 238524261 573822709 /nfs/dbraw/zinc/82/27/09/573822709.db2.gz KWUHLJIBYDYRPD-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN CCCCCC[C@H]1CC[C@@H](CO)C1=O 215418937 573822725 /nfs/dbraw/zinc/82/27/25/573822725.db2.gz RYFGRKQQUNVDCP-QWRGUYRKSA-N 0 0 198.306 2.544 10 0 AFAERN CCCn1cccc1/C=C(\C)[C@H](C)O 308447173 573822732 /nfs/dbraw/zinc/82/27/32/573822732.db2.gz PYCANOUQERVQTD-USKTWTLRSA-N 0 0 193.290 2.682 10 0 AFAERN C=C=C(C[C@@H](C)O)C[Si](C)(C)C 215415976 573822737 /nfs/dbraw/zinc/82/27/37/573822737.db2.gz IRRAWORXNWUHAC-SECBINFHSA-N 0 0 184.355 2.807 10 0 AFAERN O[C@H](CCC(F)F)C1CCCC1 127374544 573822739 /nfs/dbraw/zinc/82/27/39/573822739.db2.gz VWLYAYBDNNQSRQ-MRVPVSSYSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@@H]1Cc2[nH]c(=S)[nH]c2[C@H](C)C1 87200477 573822771 /nfs/dbraw/zinc/82/27/71/573822771.db2.gz OSAFUVVAEPYZQK-NTSWFWBYSA-N 0 0 182.292 2.758 10 0 AFAERN CC(C)(C)c1cnc(Cl)cc1N 238129187 573822819 /nfs/dbraw/zinc/82/28/19/573822819.db2.gz VBMYBOPTIGTNTB-UHFFFAOYSA-N 0 0 184.670 2.615 10 0 AFAERN CC(C)[C@H]1CCc2[nH]c(=S)[nH]c2C1 87200506 573822856 /nfs/dbraw/zinc/82/28/56/573822856.db2.gz IOZFIQRMIUFRBX-ZETCQYMHSA-N 0 0 196.319 2.833 10 0 AFAERN CC(=O)C1CC(C=C(C)C)C1 238140298 573822867 /nfs/dbraw/zinc/82/28/67/573822867.db2.gz OMMQGBRSPZHNDM-UHFFFAOYSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)SCc1c(C)cccc1F 238129669 573822875 /nfs/dbraw/zinc/82/28/75/573822875.db2.gz XFWFXCWQSFSTNO-UHFFFAOYSA-N 0 0 198.262 2.914 10 0 AFAERN CC[C@@H](C)Nc1ccc(Cl)nc1 122803326 573822938 /nfs/dbraw/zinc/82/29/38/573822938.db2.gz JODCCLMQAUTISE-SSDOTTSWSA-N 0 0 184.670 2.945 10 0 AFAERN CC1(NC=O)CCC(C(C)(C)C)CC1 238139829 573822964 /nfs/dbraw/zinc/82/29/64/573822964.db2.gz FPLRHJRRYIWVGP-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)=C1Cc2ccc(C)cc2[C@H]1O 238129378 573822979 /nfs/dbraw/zinc/82/29/79/573822979.db2.gz OPUNXRPPDOMKQD-ZDUSSCGKSA-N 0 0 188.270 2.921 10 0 AFAERN CCc1ccc(C2CC(O)C2)s1 87200400 573822992 /nfs/dbraw/zinc/82/29/92/573822992.db2.gz UQQJGSHAHVHTCJ-UHFFFAOYSA-N 0 0 182.288 2.549 10 0 AFAERN C=Cc1c(Cl)nc2ccccn12 87198220 573823025 /nfs/dbraw/zinc/82/30/25/573823025.db2.gz CLUBASYQFQUZMU-UHFFFAOYSA-N 0 0 178.622 2.631 10 0 AFAERN CN1CCCc2cc3ccccc3nc21 259203069 573823071 /nfs/dbraw/zinc/82/30/71/573823071.db2.gz JCSPVDJKEAFFBS-UHFFFAOYSA-N 0 0 198.269 2.617 10 0 AFAERN C=Cc1c(C)nn(C(C)C)c1C 87198243 573823091 /nfs/dbraw/zinc/82/30/91/573823091.db2.gz HNRPHVZWIIEJND-UHFFFAOYSA-N 0 0 164.252 2.724 10 0 AFAERN CCOc1ccc(C2CC(=O)C2)cc1 87199241 573823118 /nfs/dbraw/zinc/82/31/18/573823118.db2.gz KNZRRPUVMAURRL-UHFFFAOYSA-N 0 0 190.242 2.532 10 0 AFAERN Cc1ccc(C)c(C2CC(=O)C2)c1 87199316 573823133 /nfs/dbraw/zinc/82/31/33/573823133.db2.gz PCUMCZMSHYIKIR-UHFFFAOYSA-N 0 0 174.243 2.750 10 0 AFAERN O=C1CC(c2ccc(F)c(Cl)c2)C1 87199226 573823137 /nfs/dbraw/zinc/82/31/37/573823137.db2.gz ZSTWUTUZBSRSDJ-UHFFFAOYSA-N 0 0 198.624 2.926 10 0 AFAERN OC1CC(c2cc3ccccc3o2)C1 87200393 573823151 /nfs/dbraw/zinc/82/31/51/573823151.db2.gz FOQSKHXIFUFGQA-UHFFFAOYSA-N 0 0 188.226 2.671 10 0 AFAERN CC(C)CCc1ccc(O)c(N)c1 238129221 573823175 /nfs/dbraw/zinc/82/31/75/573823175.db2.gz SHZVEQGYZZVZLQ-UHFFFAOYSA-N 0 0 179.263 2.563 10 0 AFAERN CCc1ccc(C2CC(=O)C2)s1 87199231 573823204 /nfs/dbraw/zinc/82/32/04/573823204.db2.gz RMQRHBMIOAYHSP-UHFFFAOYSA-N 0 0 180.272 2.757 10 0 AFAERN Cc1cc2c3ccccc3[nH]c2n1O 238524813 573825069 /nfs/dbraw/zinc/82/50/69/573825069.db2.gz ZATBLMPIVRIBCW-UHFFFAOYSA-N 0 0 186.214 2.668 10 0 AFAERN Cc1ccc2cc(C)c(N)c(C)c2n1 238525060 573825095 /nfs/dbraw/zinc/82/50/95/573825095.db2.gz MOZUWZCYNYFVNA-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN C=C/C=C/CNc1ccccc1 238130799 573824408 /nfs/dbraw/zinc/82/44/08/573824408.db2.gz YJFXBGGDBNOUMS-XVNBXDOJSA-N 0 0 159.232 2.841 10 0 AFAERN CCOC(=N)c1ccc([C@@H]2C[C@H]2C)o1 202493520 573824424 /nfs/dbraw/zinc/82/44/24/573824424.db2.gz AMGCHIVHBVSWHM-HTQZYQBOSA-N 0 0 193.246 2.765 10 0 AFAERN CCC[C@@H](CC)Nc1cc(C)nn1C 308755398 573824496 /nfs/dbraw/zinc/82/44/96/573824496.db2.gz WFMQEZLOASDJJX-SNVBAGLBSA-N 0 0 195.310 2.719 10 0 AFAERN Cc1cnc(F)c(C(F)F)c1C 238525459 573824504 /nfs/dbraw/zinc/82/45/04/573824504.db2.gz SRJVEOJUEPIKJT-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Cc1ccc(C2CC(O)C2)c(C)c1 87200212 573824527 /nfs/dbraw/zinc/82/45/27/573824527.db2.gz YAGBPEXEJGDSDD-UHFFFAOYSA-N 0 0 176.259 2.542 10 0 AFAERN Cc1cc2sccc2ccc1=O 238525334 573824530 /nfs/dbraw/zinc/82/45/30/573824530.db2.gz PKNUBNLUXHEALJ-UHFFFAOYSA-N 0 0 176.240 2.570 10 0 AFAERN CC[C@H]1CCc2[nH]c(=S)[nH]c2C1 87200498 573824699 /nfs/dbraw/zinc/82/46/99/573824699.db2.gz HGHCKEOHYGTBOO-LURJTMIESA-N 0 0 182.292 2.587 10 0 AFAERN CC(C)=C[C@@H](O)Cc1ccc(C)cc1 122799797 573824716 /nfs/dbraw/zinc/82/47/16/573824716.db2.gz UGYJXYVQAOHVCE-CYBMUJFWSA-N 0 0 190.286 2.865 10 0 AFAERN C=C=C(C[C@H](C)O)C[Si](C)(C)C 215415931 573824759 /nfs/dbraw/zinc/82/47/59/573824759.db2.gz IRRAWORXNWUHAC-VIFPVBQESA-N 0 0 184.355 2.807 10 0 AFAERN CC(C)=C1C[C@H]2CCCC(=O)[C@@H]12 238129104 573824768 /nfs/dbraw/zinc/82/47/68/573824768.db2.gz DTHFEXHXYPSSKO-LDYMZIIASA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H](O)/C=C\c1ccnc2ccccc12 308750429 573824796 /nfs/dbraw/zinc/82/47/96/573824796.db2.gz OTFMJJQAASBHFH-JYESYGNLSA-N 0 0 199.253 2.629 10 0 AFAERN CC[C@H](C)Nc1ccc(Cl)nc1 122803551 573824822 /nfs/dbraw/zinc/82/48/22/573824822.db2.gz JODCCLMQAUTISE-ZETCQYMHSA-N 0 0 184.670 2.945 10 0 AFAERN CCCc1ccc(C2CC(O)C2)cc1 87200370 573824839 /nfs/dbraw/zinc/82/48/39/573824839.db2.gz VGTDIUHZJSCLOY-UHFFFAOYSA-N 0 0 190.286 2.877 10 0 AFAERN CCC[C@H]1CCc2[nH]c(=S)[nH]c2C1 87200444 573824951 /nfs/dbraw/zinc/82/49/51/573824951.db2.gz UQTJPYFOADGQMO-ZETCQYMHSA-N 0 0 196.319 2.977 10 0 AFAERN Cc1cccc(Cl)c1-n1cccn1 238526489 573825006 /nfs/dbraw/zinc/82/50/06/573825006.db2.gz UPNTYDUVVHRAOT-UHFFFAOYSA-N 0 0 192.649 2.834 10 0 AFAERN CC(C)(C)CCC1(O)CCC(=O)CC1 84323268 573825025 /nfs/dbraw/zinc/82/50/25/573825025.db2.gz HFVLLNHKOVOOQS-UHFFFAOYSA-N 0 0 198.306 2.687 10 0 AFAERN C=Cc1cc(OC)c(OC)cc1C 87198293 573825045 /nfs/dbraw/zinc/82/50/45/573825045.db2.gz HAIYIIQXIJTGAG-UHFFFAOYSA-N 0 0 178.231 2.655 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@H]1OCC[C@H]1C 308445047 573825998 /nfs/dbraw/zinc/82/59/98/573825998.db2.gz ADAHCBHKCCLVKP-SCVCMEIPSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1cn(C(C)C)c(COC(C)C)n1 257884975 573826021 /nfs/dbraw/zinc/82/60/21/573826021.db2.gz KYDJJTRXFCBDFY-UHFFFAOYSA-N 0 0 196.294 2.697 10 0 AFAERN Cc1ccsc1C1CC(=O)C1 87199269 573825261 /nfs/dbraw/zinc/82/52/61/573825261.db2.gz RUXZKOPIYPBVLA-UHFFFAOYSA-N 0 0 166.245 2.503 10 0 AFAERN CC(C)=C=C(C)CCCCO 238131203 573825363 /nfs/dbraw/zinc/82/53/63/573825363.db2.gz CZMGMZQGFDQEMU-UHFFFAOYSA-N 0 0 154.253 2.660 10 0 AFAERN CC(=O)c1cc(C)c(C)nc1Cl 238130583 573825382 /nfs/dbraw/zinc/82/53/82/573825382.db2.gz NMMDPNNUNBYJNE-UHFFFAOYSA-N 0 0 183.638 2.554 10 0 AFAERN C[C@@H]1Cc2[nH]c(=S)[nH]c2[C@@H](C)C1 87200482 573825409 /nfs/dbraw/zinc/82/54/09/573825409.db2.gz OSAFUVVAEPYZQK-WDSKDSINSA-N 0 0 182.292 2.758 10 0 AFAERN Cc1cc(O)cc(CCC(C)C)c1O 238128965 573825448 /nfs/dbraw/zinc/82/54/48/573825448.db2.gz ZAVHLPISQAIVCD-UHFFFAOYSA-N 0 0 194.274 2.995 10 0 AFAERN CC1=CC[C@H]([C@]2(C)CCC(=O)O2)CC1 14614555 573825491 /nfs/dbraw/zinc/82/54/91/573825491.db2.gz UNFHEEKKAAZTLL-JQWIXIFHSA-N 0 0 194.274 2.829 10 0 AFAERN ClC=C1COc2ccccc2OC1 238525388 573825494 /nfs/dbraw/zinc/82/54/94/573825494.db2.gz WPJDOHBTXDAGKU-UHFFFAOYSA-N 0 0 196.633 2.581 10 0 AFAERN Cc1cnc(F)c(C)c1C(F)F 238525880 573825553 /nfs/dbraw/zinc/82/55/53/573825553.db2.gz VMRIRJZMPOYRBL-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Cc1cnc(Cl)c2c1ccn2C 238524642 573825643 /nfs/dbraw/zinc/82/56/43/573825643.db2.gz ACIAPBODFKLACR-UHFFFAOYSA-N 0 0 180.638 2.535 10 0 AFAERN CC(C)=C1Cc2ccc(C)cc2[C@@H]1O 238129352 573825647 /nfs/dbraw/zinc/82/56/47/573825647.db2.gz OPUNXRPPDOMKQD-CYBMUJFWSA-N 0 0 188.270 2.921 10 0 AFAERN Cc1cnc(Cl)c2scnc12 238524793 573825649 /nfs/dbraw/zinc/82/56/49/573825649.db2.gz JLQDYZOPBOCGAZ-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN CCCCCc1nc(C(C)C)n[nH]1 41057133 573825654 /nfs/dbraw/zinc/82/56/54/573825654.db2.gz CZMJWYAZLAOWTK-UHFFFAOYSA-N 0 0 181.283 2.661 10 0 AFAERN CC1=CC[C@@H]([C@]2(C)CCC(=O)O2)CC1 14614554 573825668 /nfs/dbraw/zinc/82/56/68/573825668.db2.gz UNFHEEKKAAZTLL-PWSUYJOCSA-N 0 0 194.274 2.829 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1OCC[C@@H]1C 308445044 573825679 /nfs/dbraw/zinc/82/56/79/573825679.db2.gz ADAHCBHKCCLVKP-JBLDHEPKSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1ccc2cc(C)c(O)c(N)c2c1 238525164 573825722 /nfs/dbraw/zinc/82/57/22/573825722.db2.gz UFURGTUZBUMFHU-UHFFFAOYSA-N 0 0 187.242 2.744 10 0 AFAERN CCC(CC)c1nc(C(C)C)n[nH]1 41057145 573825777 /nfs/dbraw/zinc/82/57/77/573825777.db2.gz GMZFNMWUBNIBES-UHFFFAOYSA-N 0 0 181.283 2.832 10 0 AFAERN Cc1cnc(F)c(C(F)F)c1F 238525707 573825868 /nfs/dbraw/zinc/82/58/68/573825868.db2.gz AOBAHYQQJWCIFN-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Cc1ccc2cc(Cl)cc(O)c2n1 238526060 573825878 /nfs/dbraw/zinc/82/58/78/573825878.db2.gz DAWWEGRLXLVJHI-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CSCCC[C@@H]1CCCC(=O)C1 131218287 573825949 /nfs/dbraw/zinc/82/59/49/573825949.db2.gz NPARAFAOIGBJBJ-VIFPVBQESA-N 0 0 186.320 2.889 10 0 AFAERN CC[C@@H](C)C[C@@H](NN)c1coc(C)c1 131394380 573825962 /nfs/dbraw/zinc/82/59/62/573825962.db2.gz STYHTDMQEKZVIP-LDYMZIIASA-N 0 0 196.294 2.529 10 0 AFAERN COC(=O)[C@@H]1CCC(C)(C)CC12CC2 259572164 573825965 /nfs/dbraw/zinc/82/59/65/573825965.db2.gz DFVCVTOIKWRFKC-VIFPVBQESA-N 0 0 196.290 2.766 10 0 AFAERN Cc1cccc(Cl)c1[C@@H]1C[C@@H]1CO 238525503 573825968 /nfs/dbraw/zinc/82/59/68/573825968.db2.gz ORSFLJLJXFWBAD-RKDXNWHRSA-N 0 0 196.677 2.744 10 0 AFAERN C[C@@](O)(CC1CCCC1)C1=COCC1 689825305 573827579 /nfs/dbraw/zinc/82/75/79/573827579.db2.gz VMTZODKWXLVASE-GFCCVEGCSA-N 0 0 196.290 2.622 10 0 AFAERN Cc1cccc(-c2n[nH]c(C3CC3)n2)c1 41057742 573827604 /nfs/dbraw/zinc/82/76/04/573827604.db2.gz INNCASCGFQBYLZ-UHFFFAOYSA-N 0 0 199.257 2.658 10 0 AFAERN CCCC[C@@H](CO)Nc1ccccc1 41053514 573827636 /nfs/dbraw/zinc/82/76/36/573827636.db2.gz ZHNPLOHUPAFLBO-LBPRGKRZSA-N 0 0 193.290 2.650 10 0 AFAERN Cc1c(N)cnc2cc(Cl)ccc12 238526415 573827028 /nfs/dbraw/zinc/82/70/28/573827028.db2.gz PYFMPRJKWVNGMN-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Cc1c(N)cnc(Cl)c1C(F)F 238526223 573827035 /nfs/dbraw/zinc/82/70/35/573827035.db2.gz XXZIKZLEOZTOSF-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@H](O)C[C@@H]2C 87220155 573827060 /nfs/dbraw/zinc/82/70/60/573827060.db2.gz CDCJBTDWIGRNGC-YLWLKBPMSA-N 0 0 198.212 2.814 10 0 AFAERN Cc1ccc(-c2n[nH]c(C3CC3)n2)cc1 41057676 573827097 /nfs/dbraw/zinc/82/70/97/573827097.db2.gz GGEXLJMXGKOZDD-UHFFFAOYSA-N 0 0 199.257 2.658 10 0 AFAERN C[C@H](O)/C=C\c1ccnc2ccccc12 308750427 573827110 /nfs/dbraw/zinc/82/71/10/573827110.db2.gz OTFMJJQAASBHFH-GFVADAIESA-N 0 0 199.253 2.629 10 0 AFAERN Cc1cc(F)c(-c2cc[nH]n2)cc1F 87220201 573827116 /nfs/dbraw/zinc/82/71/16/573827116.db2.gz ZZKAOIBQXRQAEH-UHFFFAOYSA-N 0 0 194.184 2.663 10 0 AFAERN Cc1cccc(Cl)c1[C@H]1C[C@@H]1CO 238526177 573827118 /nfs/dbraw/zinc/82/71/18/573827118.db2.gz ORSFLJLJXFWBAD-BDAKNGLRSA-N 0 0 196.677 2.744 10 0 AFAERN Cc1cccc(Cl)c1[C@@H]1C[C@H]1CO 238525536 573827158 /nfs/dbraw/zinc/82/71/58/573827158.db2.gz ORSFLJLJXFWBAD-DTWKUNHWSA-N 0 0 196.677 2.744 10 0 AFAERN CCSCCC[C@@H]1CCC(=O)C1 131219553 573827174 /nfs/dbraw/zinc/82/71/74/573827174.db2.gz DHYWPKXNMCRUMS-SECBINFHSA-N 0 0 186.320 2.889 10 0 AFAERN Cc1cnc(F)c(F)c1C(F)F 238526095 573827183 /nfs/dbraw/zinc/82/71/83/573827183.db2.gz FZIVEABDIYWSCL-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN CC[C@H](C)C[C@@H](CC1CCCC1)NN 131399809 573827238 /nfs/dbraw/zinc/82/72/38/573827238.db2.gz YSCROXDBWPSOHC-JQWIXIFHSA-N 0 0 198.354 2.835 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1OCC[C@H]1C 308445045 573827249 /nfs/dbraw/zinc/82/72/49/573827249.db2.gz ADAHCBHKCCLVKP-JFGNBEQYSA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@@H](C)C[C@H](NN)c1ccc(C)o1 131402186 573827252 /nfs/dbraw/zinc/82/72/52/573827252.db2.gz PZRBUZDLVKBBEB-SCZZXKLOSA-N 0 0 196.294 2.529 10 0 AFAERN Cc1cccc(-c2nncs2)c1C 238526388 573827274 /nfs/dbraw/zinc/82/72/74/573827274.db2.gz DPMVTSVFFKCQLP-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Clc1ncccc1[C@H]1CCCCO1 238524538 573827333 /nfs/dbraw/zinc/82/73/33/573827333.db2.gz AZJINLHUEQEUOV-SECBINFHSA-N 0 0 197.665 2.977 10 0 AFAERN CCC(CC)c1nnc(C2CC2)[nH]1 41057636 573827339 /nfs/dbraw/zinc/82/73/39/573827339.db2.gz PGJJEXDRYMPLHJ-UHFFFAOYSA-N 0 0 179.267 2.586 10 0 AFAERN Cc1cc(F)c(F)c(C(F)F)n1 238525077 573827369 /nfs/dbraw/zinc/82/73/69/573827369.db2.gz WZRKZRCOHVFAPR-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Cc1ccccc1-c1n[nH]c(C2CC2)n1 41057537 573827482 /nfs/dbraw/zinc/82/74/82/573827482.db2.gz LNJCSDHTPKBJHM-UHFFFAOYSA-N 0 0 199.257 2.658 10 0 AFAERN CC[C@H](C)C[C@H](CC1CCCC1)NN 131400281 573827494 /nfs/dbraw/zinc/82/74/94/573827494.db2.gz YSCROXDBWPSOHC-CMPLNLGQSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1cc(F)cc2cnsc12 238531733 573829427 /nfs/dbraw/zinc/82/94/27/573829427.db2.gz OEVLSGUFMRSTBB-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN CC[C@H](C)C[C@@H](NN)c1coc(C)c1 131394596 573829450 /nfs/dbraw/zinc/82/94/50/573829450.db2.gz STYHTDMQEKZVIP-GZMMTYOYSA-N 0 0 196.294 2.529 10 0 AFAERN Cc1ccc2cnoc2c1Cl 238531402 573829453 /nfs/dbraw/zinc/82/94/53/573829453.db2.gz BTKYNZYHLOQIBS-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN CCC(CC)(CO)CCCCOC 131407713 573829461 /nfs/dbraw/zinc/82/94/61/573829461.db2.gz MNLRPSOMKFWZIZ-UHFFFAOYSA-N 0 0 188.311 2.602 10 0 AFAERN Nc1cncc([C@H]2CCCCS2)c1 258143723 573829510 /nfs/dbraw/zinc/82/95/10/573829510.db2.gz RIWQRMKOIVANRH-SNVBAGLBSA-N 0 0 194.303 2.622 10 0 AFAERN CC(C)(C)[C@@H](O)[C@H]1C=CC=CCC1 238148470 573829552 /nfs/dbraw/zinc/82/95/52/573829552.db2.gz ICTCIOPSBMKHHM-QWRGUYRKSA-N 0 0 180.291 2.916 10 0 AFAERN C[C@@H](O)Cc1ccccc1C(F)F 258142996 573829631 /nfs/dbraw/zinc/82/96/31/573829631.db2.gz SRTAHNDUFSHQCT-SSDOTTSWSA-N 0 0 186.201 2.548 10 0 AFAERN C[Si](C)(C)C[C@H](O)c1ccoc1 238527330 573829649 /nfs/dbraw/zinc/82/96/49/573829649.db2.gz LSXRFPFJOBGJNA-VIFPVBQESA-N 0 0 184.311 2.651 10 0 AFAERN CC[C@@H](C)CC(C[C@H](C)CC)NN 131397700 573829699 /nfs/dbraw/zinc/82/96/99/573829699.db2.gz GUWLMNPCPQAETE-NXEZZACHSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1nc(OC2CCCC2)ccc1F 238526986 573829811 /nfs/dbraw/zinc/82/98/11/573829811.db2.gz WXKITAYUBZDRTI-UHFFFAOYSA-N 0 0 195.237 2.851 10 0 AFAERN Cc1cccc2c1N[C@H]1C=CC[C@H]21 238531351 573829845 /nfs/dbraw/zinc/82/98/45/573829845.db2.gz CBMMJFNRQDHNKK-KOLCDFICSA-N 0 0 171.243 2.833 10 0 AFAERN Cn1c(=S)sc2cc(N)ccc21 238527660 573829922 /nfs/dbraw/zinc/82/99/22/573829922.db2.gz SUDLXHKQMDYVSM-UHFFFAOYSA-N 0 0 196.300 2.551 10 0 AFAERN CC1(c2cnc(N)s2)CCCCC1 258151005 573829957 /nfs/dbraw/zinc/82/99/57/573829957.db2.gz SAYHVAGXITVCEC-UHFFFAOYSA-N 0 0 196.319 2.947 10 0 AFAERN CCC(CC)[C@@H]([NH3+])c1nccs1 41059957 573830028 /nfs/dbraw/zinc/83/00/28/573830028.db2.gz NATWODPKNAYJIN-MRVPVSSYSA-N 0 0 184.308 2.579 10 0 AFAERN CC[C@@H](C)C[C@@H](NN)c1ccc(C)o1 131402573 573830032 /nfs/dbraw/zinc/83/00/32/573830032.db2.gz PZRBUZDLVKBBEB-PSASIEDQSA-N 0 0 196.294 2.529 10 0 AFAERN C/C(=C\c1ccccc1)[C@@H]1C[C@H]1CO 393669074 573830034 /nfs/dbraw/zinc/83/00/34/573830034.db2.gz QNFFYVUXNKKTIS-ZCUOCTDKSA-N 0 0 188.270 2.718 10 0 AFAERN CCC[C@@](C)(CO)CCCCOC 131407043 573830046 /nfs/dbraw/zinc/83/00/46/573830046.db2.gz LAGQYSYUBXYYEI-LLVKDONJSA-N 0 0 188.311 2.602 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@@H](O)C[C@H]2C 87220160 573830055 /nfs/dbraw/zinc/83/00/55/573830055.db2.gz CDCJBTDWIGRNGC-XRGYYRRGSA-N 0 0 198.212 2.814 10 0 AFAERN Cc1cc(F)c(-c2ccno2)cc1F 87220691 573830187 /nfs/dbraw/zinc/83/01/87/573830187.db2.gz LLVJLPYJNVBNKK-UHFFFAOYSA-N 0 0 195.168 2.928 10 0 AFAERN Cc1cccc2c1N[C@@H]1C=CC[C@H]21 238531373 573830189 /nfs/dbraw/zinc/83/01/89/573830189.db2.gz CBMMJFNRQDHNKK-MWLCHTKSSA-N 0 0 171.243 2.833 10 0 AFAERN O=C1CCC[C@H]2CCCC[C@@]12F 238532157 573834523 /nfs/dbraw/zinc/83/45/23/573834523.db2.gz IISMYMYXUPPAEI-SCZZXKLOSA-N 0 0 170.227 2.638 10 0 AFAERN CC(C)=CCC1(C(N)=O)CCCCC1 238141786 573834530 /nfs/dbraw/zinc/83/45/30/573834530.db2.gz LBFBIQXJHCMVFO-UHFFFAOYSA-N 0 0 195.306 2.779 10 0 AFAERN CC(C)=CCC(=O)c1ccccc1O 238140910 573834547 /nfs/dbraw/zinc/83/45/47/573834547.db2.gz FUBHQPLOMJYRJD-UHFFFAOYSA-N 0 0 190.242 2.931 10 0 AFAERN CSc1cc([C@@H](C)O)ccc1F 258152891 573834559 /nfs/dbraw/zinc/83/45/59/573834559.db2.gz UEZFPUGFURYWLL-ZCFIWIBFSA-N 0 0 186.251 2.601 10 0 AFAERN CC(/C=C\Cl)=C/Cl 205508471 573834691 /nfs/dbraw/zinc/83/46/91/573834691.db2.gz QGJILAVSVXYCSC-LDIADDGTSA-N 0 0 137.009 2.882 10 0 AFAERN CC(C)=CC[C@@H]1CCC[C@@H](O)C1 238155299 573834735 /nfs/dbraw/zinc/83/47/35/573834735.db2.gz BDZAIGMZHATLPH-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)C[C@H](O)C=C1CCC1 238140636 573834754 /nfs/dbraw/zinc/83/47/54/573834754.db2.gz DJUFMMANLTVHRC-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN Clc1ccc2c(c1)CC=CCN2 238531844 573834784 /nfs/dbraw/zinc/83/47/84/573834784.db2.gz IVDKDXHBUHDIRP-UHFFFAOYSA-N 0 0 179.650 2.864 10 0 AFAERN FCCNC1(C(F)F)CCCCC1 393564899 573834800 /nfs/dbraw/zinc/83/48/00/573834800.db2.gz OSJNCJBXQAOQJD-UHFFFAOYSA-N 0 0 195.228 2.514 10 0 AFAERN CC(C)(C)[C@H]1C=C[C@@H](CO)CC1 238155468 573834819 /nfs/dbraw/zinc/83/48/19/573834819.db2.gz WSCRLSOBCJZBLS-ZJUUUORDSA-N 0 0 168.280 2.607 10 0 AFAERN CC(C)(C)OCc1ccc(N)c(F)c1 87225698 573834846 /nfs/dbraw/zinc/83/48/46/573834846.db2.gz VNFQWCJWKDFUOR-UHFFFAOYSA-N 0 0 197.253 2.723 10 0 AFAERN CCCCOCc1ccc(N)c(F)c1 87225709 573834945 /nfs/dbraw/zinc/83/49/45/573834945.db2.gz ZCDMBIOAPKULDI-UHFFFAOYSA-N 0 0 197.253 2.725 10 0 AFAERN CC1CCC(/C=C/[N+](=O)[O-])CC1 84331110 573834946 /nfs/dbraw/zinc/83/49/46/573834946.db2.gz PXXLLGCUTOOJAT-VOTSOKGWSA-N 0 0 169.224 2.603 10 0 AFAERN CCCOC(=O)OCc1ccccc1 87222785 573834973 /nfs/dbraw/zinc/83/49/73/573834973.db2.gz URDWHHKUSREXMM-UHFFFAOYSA-N 0 0 194.230 2.750 10 0 AFAERN OC1(Cc2ccco2)CCCCC1 84335482 573834997 /nfs/dbraw/zinc/83/49/97/573834997.db2.gz DRJZNDRTXNQCJP-UHFFFAOYSA-N 0 0 180.247 2.517 10 0 AFAERN Cc1[nH]ccc2c3ccc(N)cc3nc1-2 308762820 573835001 /nfs/dbraw/zinc/83/50/01/573835001.db2.gz RSAGDFRNWROAFL-UHFFFAOYSA-N 0 0 197.241 2.558 10 0 AFAERN CCCCCC[C@@H](O)C/C=C\OC 222252787 573835033 /nfs/dbraw/zinc/83/50/33/573835033.db2.gz WIFZPGYALSYWRC-ZJRUKIMVSA-N 0 0 186.295 2.868 10 0 AFAERN C[C@H]1C[C@]1(CO)C1CCCCC1 258965653 573835086 /nfs/dbraw/zinc/83/50/86/573835086.db2.gz HILXAPJVKCXNAC-GXSJLCMTSA-N 0 0 168.280 2.585 10 0 AFAERN Cc1ccc(C2(O)CCC2)c(C)c1 84333204 573835108 /nfs/dbraw/zinc/83/51/08/573835108.db2.gz GUNTYYOHMGIWKP-UHFFFAOYSA-N 0 0 176.259 2.675 10 0 AFAERN CC(C)C[C@@H]1C(=O)CC1(C)C 238155012 573835129 /nfs/dbraw/zinc/83/51/29/573835129.db2.gz XCHRHOUJYOONGE-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1c(C(F)F)[nH]cc(Cl)c1=O 238535105 573838470 /nfs/dbraw/zinc/83/84/70/573838470.db2.gz NKNCLDMPLUXFGJ-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Oc1ccc([C@H](O)C2CCCC2)cc1 259623124 573838482 /nfs/dbraw/zinc/83/84/82/573838482.db2.gz FLTHFVHKFDJZLQ-GFCCVEGCSA-N 0 0 192.258 2.616 10 0 AFAERN C[C@@H]1CCC[C@H](/C=C/[N+](=O)[O-])C1 84341590 573838577 /nfs/dbraw/zinc/83/85/77/573838577.db2.gz PRXAITMALBYLHR-JKKBLNIGSA-N 0 0 169.224 2.603 10 0 AFAERN CC1CCC([C@H]2CC(=O)CCO2)CC1 84340028 573838592 /nfs/dbraw/zinc/83/85/92/573838592.db2.gz OUCKEADJMQBXHR-RTYFJBAXSA-N 0 0 196.290 2.561 10 0 AFAERN O[C@@H](CCc1ccoc1)C1CCCC1 127393230 573838622 /nfs/dbraw/zinc/83/86/22/573838622.db2.gz YAGVHHNBRVJTSH-LBPRGKRZSA-N 0 0 194.274 2.763 10 0 AFAERN Cc1c(C(F)F)cnc(Cl)c1O 238535122 573838624 /nfs/dbraw/zinc/83/86/24/573838624.db2.gz REXXQUOJJZSAGY-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CC(C)[C@@H]1C[C@@H](C)n2c(CO)ccc21 238159114 573838645 /nfs/dbraw/zinc/83/86/45/573838645.db2.gz VBUXXPQOTVFGRD-KOLCDFICSA-N 0 0 193.290 2.685 10 0 AFAERN Cc1cc(Cl)c2cnoc2c1 238534488 573838687 /nfs/dbraw/zinc/83/86/87/573838687.db2.gz AADBHYNYWNKMBD-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN C[C@]1(CNc2ccccc2)CCCO1 87230042 573838691 /nfs/dbraw/zinc/83/86/91/573838691.db2.gz FEYDLNYHUCCCAJ-GFCCVEGCSA-N 0 0 191.274 2.668 10 0 AFAERN C/C(=C/[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] 84341598 573838861 /nfs/dbraw/zinc/83/88/61/573838861.db2.gz OIZDZLBLXFAEMA-NHZNNNNFSA-N 0 0 183.251 2.993 10 0 AFAERN Cc1cc(C)c(C(F)F)c(F)n1 238535204 573838865 /nfs/dbraw/zinc/83/88/65/573838865.db2.gz JWXCUIWFAOGNJT-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN CC(=O)Cc1ccc2c(C)c[nH]c2c1 258150254 573838913 /nfs/dbraw/zinc/83/89/13/573838913.db2.gz QXNBNNQUSTWNFB-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC(C)C[C@@H]1CC[C@H](C)C1=O 238156780 573838924 /nfs/dbraw/zinc/83/89/24/573838924.db2.gz ZLTBRMOTAWJAOL-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H]1CCC[C@@H](CO)CC1 84348581 573838936 /nfs/dbraw/zinc/83/89/36/573838936.db2.gz PEPWANZCPNGUPU-VHSXEESVSA-N 0 0 156.269 2.585 10 0 AFAERN C[C@@H]1CCC[C@@H](CNc2cn[nH]c2)C1 84340938 573838970 /nfs/dbraw/zinc/83/89/70/573838970.db2.gz XAHWJTRKWHPIMI-NXEZZACHSA-N 0 0 193.294 2.648 10 0 AFAERN CC(C)[C@@H]1CCC[C@@H](CO)CC1 84348546 573838989 /nfs/dbraw/zinc/83/89/89/573838989.db2.gz ZJESAOWJNBLQTJ-GHMZBOCLSA-N 0 0 170.296 2.831 10 0 AFAERN Cc1cc(C)c(C(F)F)nc1C 238535389 573839224 /nfs/dbraw/zinc/83/92/24/573839224.db2.gz RIZCMRXZAARCFH-UHFFFAOYSA-N 0 0 171.190 2.944 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@@H]2CC(=O)CCO2)C1 84346812 573841646 /nfs/dbraw/zinc/84/16/46/573841646.db2.gz GCCQVGHCPRYUCG-FOGDFJRCSA-N 0 0 196.290 2.561 10 0 AFAERN C/C=C/CC[C@H](O)C1CCCC1 127393670 573839904 /nfs/dbraw/zinc/83/99/04/573839904.db2.gz PMTSHBLKGIAVEU-VUDBWIFFSA-N 0 0 168.280 2.894 10 0 AFAERN CC1=NC(=S)C(c2ccccc2)N1 238535116 573839942 /nfs/dbraw/zinc/83/99/42/573839942.db2.gz MPGRGKWLZXHNCT-UHFFFAOYSA-N 0 0 190.271 2.674 10 0 AFAERN CC[C@@H]1CCC[C@@H](CO)CC1 84348577 573839966 /nfs/dbraw/zinc/83/99/66/573839966.db2.gz PEPWANZCPNGUPU-NXEZZACHSA-N 0 0 156.269 2.585 10 0 AFAERN Cc1c[nH]c(=O)c(Cl)c1C(F)F 238534068 573840119 /nfs/dbraw/zinc/84/01/19/573840119.db2.gz BDIRCOBBCBLTKO-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1ccc([C@H]2CCC(=O)C2)c(F)c1 238535481 573840176 /nfs/dbraw/zinc/84/01/76/573840176.db2.gz IHSRTKMKGQERBW-VIFPVBQESA-N 0 0 192.233 2.971 10 0 AFAERN Nc1nc(C2CCCCCC2)co1 257887284 573840197 /nfs/dbraw/zinc/84/01/97/573840197.db2.gz MUCBBKXVTGFVQN-UHFFFAOYSA-N 0 0 180.251 2.695 10 0 AFAERN CCC(=O)[C@@H](C)CCC1CCOCC1 308761010 573840321 /nfs/dbraw/zinc/84/03/21/573840321.db2.gz YBPVEXSJLKZNNN-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN C/C=C(\CC)C(=O)OC/C=C/CC 308451750 573840327 /nfs/dbraw/zinc/84/03/27/573840327.db2.gz DRKRYLWBMRPLSS-LZIZUESTSA-N 0 0 182.263 2.852 10 0 AFAERN CC(C)C[C@@H]1CC[C@H](C)C[C@@H]1O 238156820 573840386 /nfs/dbraw/zinc/84/03/86/573840386.db2.gz IWLYLLAUCYCPGN-DCAQKATOSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1nc(N=O)c(-c2ccccc2)[nH]1 238535074 573840393 /nfs/dbraw/zinc/84/03/93/573840393.db2.gz MNHRZQHDQQAAIY-UHFFFAOYSA-N 0 0 187.202 2.783 10 0 AFAERN C=CC1=C([C@H](O)/C=C\C)CCCC1 393564943 573840425 /nfs/dbraw/zinc/84/04/25/573840425.db2.gz IOOZCVDRFWIZBZ-AUXFESMGSA-N 0 0 178.275 2.980 10 0 AFAERN CCC(=O)[C@H](C)CCC1CCOCC1 308761016 573840484 /nfs/dbraw/zinc/84/04/84/573840484.db2.gz YBPVEXSJLKZNNN-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN CCC(=O)N[C@@H]1CC(C)(C)CC[C@@H]1C 78211573 573840490 /nfs/dbraw/zinc/84/04/90/573840490.db2.gz CPNYKTUGNOBNRP-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1CO 84348467 573840499 /nfs/dbraw/zinc/84/04/99/573840499.db2.gz AEFLYRHUYOYCLW-GARJFASQSA-N 0 0 170.296 2.687 10 0 AFAERN Cc1ccc(-c2ccc(N)cn2)s1 122873277 573840521 /nfs/dbraw/zinc/84/05/21/573840521.db2.gz FONHMOMRHFLNGG-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCCCCCOc1cc(N)ccn1 43569554 573843956 /nfs/dbraw/zinc/84/39/56/573843956.db2.gz CUEGQIHTFMWWBS-UHFFFAOYSA-N 0 0 194.278 2.623 10 0 AFAERN O[C@@H](CCc1ccco1)C1CCCC1 127397909 573844011 /nfs/dbraw/zinc/84/40/11/573844011.db2.gz WYGRYGJSRCHJST-LBPRGKRZSA-N 0 0 194.274 2.763 10 0 AFAERN C/C=C(/CC)C(=O)OC/C=C/CC 308451747 573844042 /nfs/dbraw/zinc/84/40/42/573844042.db2.gz DRKRYLWBMRPLSS-KCGUVZDHSA-N 0 0 182.263 2.852 10 0 AFAERN O=C1CCC[C@@H](c2cccc(F)c2)O1 238536493 573844072 /nfs/dbraw/zinc/84/40/72/573844072.db2.gz MCIAZPJORIMCJE-JTQLQIEISA-N 0 0 194.205 2.594 10 0 AFAERN CC1(C)CCN(c2cccc(N)c2)C1 87232427 573844129 /nfs/dbraw/zinc/84/41/29/573844129.db2.gz HRFFBZYNOMSPCH-UHFFFAOYSA-N 0 0 190.290 2.505 10 0 AFAERN CC(C)[C@H]1CC[C@H]([C@H](C)O)CC1 238160181 573844171 /nfs/dbraw/zinc/84/41/71/573844171.db2.gz NEHPIUGJDUWSRR-GARJFASQSA-N 0 0 170.296 2.830 10 0 AFAERN CC1(C)CCN(c2ccccc2N)C1 87232436 573844234 /nfs/dbraw/zinc/84/42/34/573844234.db2.gz ZPYGTUDZEDDFDK-UHFFFAOYSA-N 0 0 190.290 2.505 10 0 AFAERN O=C1Nc2cccc3c(F)ccc1c23 238536456 573844254 /nfs/dbraw/zinc/84/42/54/573844254.db2.gz MHTUQMZXMJRUGX-UHFFFAOYSA-N 0 0 187.173 2.545 10 0 AFAERN CC(=O)[C@@H]1C=C(C)C[C@H]2[C@@H]1C2(C)C 238160019 573844293 /nfs/dbraw/zinc/84/42/93/573844293.db2.gz BHGCVGACIMVKCV-GARJFASQSA-N 0 0 178.275 2.814 10 0 AFAERN CCC(=O)N[C@H]1CC(C)(C)CC[C@H]1C 78211576 573844308 /nfs/dbraw/zinc/84/43/08/573844308.db2.gz CPNYKTUGNOBNRP-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN OCC/C=C\c1cccc(Cl)c1 258158640 573845734 /nfs/dbraw/zinc/84/57/34/573845734.db2.gz KTSVPVZVVAIFBN-RJRFIUFISA-N 0 0 182.650 2.736 10 0 AFAERN C[C@@]12C(=O)C[C@H]1CC1=C2CCCC1 238537415 573844432 /nfs/dbraw/zinc/84/44/32/573844432.db2.gz OPEXNKZFXXFXEV-BXKDBHETSA-N 0 0 176.259 2.856 10 0 AFAERN CC(=O)c1nccc2sc(C)cc12 238159917 573844470 /nfs/dbraw/zinc/84/44/70/573844470.db2.gz YEXQCMYMTZLKBV-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN Nc1ccccc1[C@@H]1CCCSC1 257887457 573844529 /nfs/dbraw/zinc/84/45/29/573844529.db2.gz WKFMZHSOMFXVHF-SECBINFHSA-N 0 0 193.315 2.879 10 0 AFAERN CC(C)(C)[C@@H]1[C@H]2CC[C@@H]1C(=O)C2 238159888 573844596 /nfs/dbraw/zinc/84/45/96/573844596.db2.gz GTIIRGWIPFIANF-QXFUBDJGSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccc(Cl)c(C(C)(C)CO)c1 258160194 573844605 /nfs/dbraw/zinc/84/46/05/573844605.db2.gz PHBARBIAQVCHJI-UHFFFAOYSA-N 0 0 198.693 2.918 10 0 AFAERN Cc1cc(F)ccc1/C=C/CCO 238536562 573844636 /nfs/dbraw/zinc/84/46/36/573844636.db2.gz NMINYTIQJIKOKA-DUXPYHPUSA-N 0 0 180.222 2.530 10 0 AFAERN CC(=O)c1nccc2scc(C)c12 238160102 573844657 /nfs/dbraw/zinc/84/46/57/573844657.db2.gz RBOLZAGYNHNSLO-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN C/C=C(/CC)C(=O)OC/C=C\CC 308451745 573844660 /nfs/dbraw/zinc/84/46/60/573844660.db2.gz DRKRYLWBMRPLSS-JCPYGFQFSA-N 0 0 182.263 2.852 10 0 AFAERN CC1(C)CCC[C@@H](CO)CC1 84348688 573844661 /nfs/dbraw/zinc/84/46/61/573844661.db2.gz LJQSOZNJDDDFJI-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN CCOC(=O)/C=C/C=C1\CC[C@H](C)C1 308451867 573845755 /nfs/dbraw/zinc/84/57/55/573845755.db2.gz ONONUAIYOOMDDY-PKVFSRKUSA-N 0 0 194.274 2.852 10 0 AFAERN C[C@H]1CCc2ccc(C(C)(C)O)cc21 258160704 573845820 /nfs/dbraw/zinc/84/58/20/573845820.db2.gz VBVHRQBNSXVVBJ-VIFPVBQESA-N 0 0 190.286 2.964 10 0 AFAERN CC(C)(C)[C@H]1C(=O)C[C@H]2C=C[C@@H]1C2 238159915 573845843 /nfs/dbraw/zinc/84/58/43/573845843.db2.gz NETIGHHAKFSBBE-IQJOONFLSA-N 0 0 178.275 2.814 10 0 AFAERN O=C1Nc2c(F)ccc3cccc1c23 238536382 573845959 /nfs/dbraw/zinc/84/59/59/573845959.db2.gz FBRNTCWDCLWIBG-UHFFFAOYSA-N 0 0 187.173 2.545 10 0 AFAERN COCc1cc2ccc(F)cc2o1 258159189 573845963 /nfs/dbraw/zinc/84/59/63/573845963.db2.gz XGWFJGYWBFOVBW-UHFFFAOYSA-N 0 0 180.178 2.718 10 0 AFAERN CC(C)[C@@H]1C[C@@H]2CCC(=O)[C@H]1C2 238160490 573845967 /nfs/dbraw/zinc/84/59/67/573845967.db2.gz DXRKDGXFZLZLFD-GUBZILKMSA-N 0 0 166.264 2.648 10 0 AFAERN CCC/C=C\CO[C@@H]1CCCC[C@H]1O 308452071 573845991 /nfs/dbraw/zinc/84/59/91/573845991.db2.gz SAFVINBQXDKJSG-MGNMTHHWSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1nc(F)c(C(F)F)cc1F 238536773 573845999 /nfs/dbraw/zinc/84/59/99/573845999.db2.gz KUNJDQITPPPLMU-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN CC[C@H](C)C[C@H](NN)C1(C)CCCC1 131336652 573846050 /nfs/dbraw/zinc/84/60/50/573846050.db2.gz XXQITSFOIOGCGP-QWRGUYRKSA-N 0 0 198.354 2.835 10 0 AFAERN C[C@@H](O)Cc1cc2ccccc2s1 257888471 573846117 /nfs/dbraw/zinc/84/61/17/573846117.db2.gz KUCIBOSDUISBBI-MRVPVSSYSA-N 0 0 192.283 2.825 10 0 AFAERN CCSCCCCC[C@@H](C)O 131347712 573846137 /nfs/dbraw/zinc/84/61/37/573846137.db2.gz VFHWHNXTPINAAL-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN CSC[C@@H](CO)C1CCCCC1 258150683 573846189 /nfs/dbraw/zinc/84/61/89/573846189.db2.gz HGZXFKSIQBTUSV-SNVBAGLBSA-N 0 0 188.336 2.538 10 0 AFAERN COCC(C)(C)Cn1c(C)ccc1C 308451963 573846213 /nfs/dbraw/zinc/84/62/13/573846213.db2.gz BUWHPKKFHOTGCW-UHFFFAOYSA-N 0 0 195.306 2.778 10 0 AFAERN CC(C)[C@H]1CC[C@](C)(C(N)=O)C1(C)C 238160539 573846295 /nfs/dbraw/zinc/84/62/95/573846295.db2.gz OGSAPDHFKLNMQU-BXKDBHETSA-N 0 0 197.322 2.570 10 0 AFAERN C[C@H](O)Cc1cc2ccccc2s1 257888473 573846314 /nfs/dbraw/zinc/84/63/14/573846314.db2.gz KUCIBOSDUISBBI-QMMMGPOBSA-N 0 0 192.283 2.825 10 0 AFAERN CC[C@@H](C)C[C@H](NN)C1(C)CCCC1 131336508 573846330 /nfs/dbraw/zinc/84/63/30/573846330.db2.gz XXQITSFOIOGCGP-MNOVXSKESA-N 0 0 198.354 2.835 10 0 AFAERN O=C1Nc2cccc3ccc(F)c1c23 238536361 573846350 /nfs/dbraw/zinc/84/63/50/573846350.db2.gz TYOFDWMSIJFMQJ-UHFFFAOYSA-N 0 0 187.173 2.545 10 0 AFAERN Cc1cccc(O)c1[C@@H]1CCCC1=O 238536259 573846368 /nfs/dbraw/zinc/84/63/68/573846368.db2.gz HEXGMUCUVCVLBC-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN CCCCSc1cc(N)ccn1 43569727 573849590 /nfs/dbraw/zinc/84/95/90/573849590.db2.gz NGWNEEFCYLKNDW-UHFFFAOYSA-N 0 0 182.292 2.556 10 0 AFAERN Cc1cc2ccc(C3(O)CC3)cc2cn1 258160346 573848951 /nfs/dbraw/zinc/84/89/51/573848951.db2.gz PJCPJDNPBBPUET-UHFFFAOYSA-N 0 0 199.253 2.525 10 0 AFAERN CC(C)(C)n1cc(OC2CCC2)cn1 238150857 573849003 /nfs/dbraw/zinc/84/90/03/573849003.db2.gz QQMHCPYTOIODSE-UHFFFAOYSA-N 0 0 194.278 2.569 10 0 AFAERN CC(C)C[C@@H](O)C=C1CCC1 238150611 573849019 /nfs/dbraw/zinc/84/90/19/573849019.db2.gz DJUFMMANLTVHRC-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN CCCCC[C@H](O)[C@@H](C)/C=C/OC 393565552 573849699 /nfs/dbraw/zinc/84/96/99/573849699.db2.gz KAHSNKPPMMZQNK-WRSFFWLLSA-N 0 0 186.295 2.724 10 0 AFAERN CCC[C@H](O)CCCCCCOC 131324617 573849111 /nfs/dbraw/zinc/84/91/11/573849111.db2.gz AMZQCIORDWMDMN-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN Cc1ccc(OC(C)C)c(Cl)n1 238153239 573849273 /nfs/dbraw/zinc/84/92/73/573849273.db2.gz MNTZPMRBIPLQSX-UHFFFAOYSA-N 0 0 185.654 2.831 10 0 AFAERN CC(C)(C)[C@@H]1CCC(=O)C[C@H]1F 238151908 573849326 /nfs/dbraw/zinc/84/93/26/573849326.db2.gz HLPGAAUEIALSNZ-RKDXNWHRSA-N 0 0 172.243 2.740 10 0 AFAERN Cc1cc([C@H](O)CC(C)C)ccc1N 238153378 573849347 /nfs/dbraw/zinc/84/93/47/573849347.db2.gz FIWKARYTEINTCL-GFCCVEGCSA-N 0 0 193.290 2.657 10 0 AFAERN COc1ccc(N)c(CC(C)(C)C)c1 257888511 573849390 /nfs/dbraw/zinc/84/93/90/573849390.db2.gz WPLGZVPAOBEXHQ-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN Cc1ccc2cnc(Cl)nc2c1C 238530844 573849427 /nfs/dbraw/zinc/84/94/27/573849427.db2.gz GRWJXKWHPBKNEN-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN C[C@]12C=CC[C@]13CCC[C@@H]3CC2=O 238539141 573849443 /nfs/dbraw/zinc/84/94/43/573849443.db2.gz BXUTVTMRJFWPJF-JLLWLGSASA-N 0 0 176.259 2.712 10 0 AFAERN CC(C)COCc1ccccc1O 238153359 573849476 /nfs/dbraw/zinc/84/94/76/573849476.db2.gz GPAGKPFNMROOFU-UHFFFAOYSA-N 0 0 180.247 2.565 10 0 AFAERN CSCCC[C@H]1CCC[C@H](O)C1 131352612 573849497 /nfs/dbraw/zinc/84/94/97/573849497.db2.gz SDTMVMNWWNSEJA-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)[C@@H]1CC[C@](C)(C(N)=O)C1(C)C 238152172 573849562 /nfs/dbraw/zinc/84/95/62/573849562.db2.gz OGSAPDHFKLNMQU-JOYOIKCWSA-N 0 0 197.322 2.570 10 0 AFAERN Cc1cc2c(c(F)c1F)CCCC2=O 238539761 573851281 /nfs/dbraw/zinc/85/12/81/573851281.db2.gz XWLZXJWNGOACRS-UHFFFAOYSA-N 0 0 196.196 2.792 10 0 AFAERN CCOC(=O)[C@H]1[C@@H](CC)C12CCCC2 259574682 573851318 /nfs/dbraw/zinc/85/13/18/573851318.db2.gz JPANRZOCQGPCRF-NXEZZACHSA-N 0 0 196.290 2.766 10 0 AFAERN COCCC[C@H]1CCCCCC1=O 43650147 573850657 /nfs/dbraw/zinc/85/06/57/573850657.db2.gz XCBAINWPDKNPBQ-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CC(=O)NC[C@@]1(C)CC[C@@H](C(C)C)C1 238152642 573850678 /nfs/dbraw/zinc/85/06/78/573850678.db2.gz CSIXSYXDQXYRSU-NEPJUHHUSA-N 0 0 197.322 2.585 10 0 AFAERN Cc1cncc(C(F)F)c1CF 238540072 573850715 /nfs/dbraw/zinc/85/07/15/573850715.db2.gz QJCVKPJKLGWLEY-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CC(C)NC(=O)[C@@H](C)C1CCCCC1 238151928 573850720 /nfs/dbraw/zinc/85/07/20/573850720.db2.gz YDFJQTUKCJJGCN-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN C[C@]12CC(=O)C[C@@H]1C[C@@H]1CCC[C@@H]12 238539440 573850725 /nfs/dbraw/zinc/85/07/25/573850725.db2.gz IRZCGSYROYYXJH-QSFUFRPTSA-N 0 0 178.275 2.792 10 0 AFAERN CSCCC[C@H](C)C[C@H](C)O 131366345 573850750 /nfs/dbraw/zinc/85/07/50/573850750.db2.gz GUENUDSWFBXMIE-IUCAKERBSA-N 0 0 176.325 2.537 10 0 AFAERN CSCCC[C@H](C)C[C@@H](C)O 131365952 573850773 /nfs/dbraw/zinc/85/07/73/573850773.db2.gz GUENUDSWFBXMIE-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN Cc1cc(F)c2[nH]c(C)cc2c1 238541393 573850780 /nfs/dbraw/zinc/85/07/80/573850780.db2.gz YANRMALAUAOBDB-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN CSCc1cc2cccc(O)c2[nH]1 257888964 573850800 /nfs/dbraw/zinc/85/08/00/573850800.db2.gz LYFAMJQHLVRBSL-UHFFFAOYSA-N 0 0 193.271 2.737 10 0 AFAERN CC(C)NC(=O)SC(C)(C)C 238151696 573850820 /nfs/dbraw/zinc/85/08/20/573850820.db2.gz MPCMFDWQFGWAJN-UHFFFAOYSA-N 0 0 175.297 2.636 10 0 AFAERN Cc1nc(F)ccc1OC1CCCC1 238539471 573850834 /nfs/dbraw/zinc/85/08/34/573850834.db2.gz ARMQYQBEIBSLQC-UHFFFAOYSA-N 0 0 195.237 2.851 10 0 AFAERN CC(=O)N[C@]1(C)C=C[C@H](C(C)C)CC1 238152992 573850839 /nfs/dbraw/zinc/85/08/39/573850839.db2.gz URNZASVGJZVJAG-NWDGAFQWSA-N 0 0 195.306 2.503 10 0 AFAERN CC(C)(C)[C@@H]1CCC=C[C@]1(C)CO 238152461 573850962 /nfs/dbraw/zinc/85/09/62/573850962.db2.gz UIFSGGJWOSDBRX-CMPLNLGQSA-N 0 0 182.307 2.997 10 0 AFAERN C[C@H]1CNc2cccc(Cl)c2N1 87260502 573851034 /nfs/dbraw/zinc/85/10/34/573851034.db2.gz BKFOZULHDCTARN-LURJTMIESA-N 0 0 182.654 2.566 10 0 AFAERN Cc1c(O)ccc2c1C(C)(C)CC2=O 238540059 573851076 /nfs/dbraw/zinc/85/10/76/573851076.db2.gz RVOKPHDHYVIINN-UHFFFAOYSA-N 0 0 190.242 2.565 10 0 AFAERN CC(C)(C)[C@@H]1CC=C[C@@H](CCO)C1 238151222 573851077 /nfs/dbraw/zinc/85/10/77/573851077.db2.gz BFVMKXWKAVVRHA-WDEREUQCSA-N 0 0 182.307 2.997 10 0 AFAERN Cc1cnc(N)c(Cl)c1C(F)F 238530708 573851211 /nfs/dbraw/zinc/85/12/11/573851211.db2.gz RFLSHVZZJBUIKE-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1cn(C)c2cc([C@H](C)O)ccc12 258155051 573851254 /nfs/dbraw/zinc/85/12/54/573851254.db2.gz RFAIYTPZCJPTEJ-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN Cn1cc(-c2ccno2)c2ccccc21 259211674 573850601 /nfs/dbraw/zinc/85/06/01/573850601.db2.gz LHIKZPMBZUYIBC-UHFFFAOYSA-N 0 0 198.225 2.833 10 0 AFAERN CC(C)(C)[C@@]12C=C[C@@H]1CCC2=O 238166182 573852671 /nfs/dbraw/zinc/85/26/71/573852671.db2.gz GLGFEEKMUGJOLO-KWQFWETISA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)(O)c1ccc2cc[nH]c2c1F 258163041 573852713 /nfs/dbraw/zinc/85/27/13/573852713.db2.gz VEHFDSFAIPNWGC-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN O=C1CCCc2cc(Cl)c(F)cc21 238539662 573853384 /nfs/dbraw/zinc/85/33/84/573853384.db2.gz IKHJCCMCSBTTBM-UHFFFAOYSA-N 0 0 198.624 2.998 10 0 AFAERN C/C=C\CCNC(=O)[C@@H](C)CCCC 308454197 573853411 /nfs/dbraw/zinc/85/34/11/573853411.db2.gz INBJWXWAFLTOKN-QZPNVGJNSA-N 0 0 197.322 2.895 10 0 AFAERN OC1(Cc2ccccc2C(F)F)CC1 258155390 573852799 /nfs/dbraw/zinc/85/27/99/573852799.db2.gz UMQPRSFKZDOQHI-UHFFFAOYSA-N 0 0 198.212 2.692 10 0 AFAERN CC1(C)C[C@@]1(CO)C1CCCC1 259021686 573852883 /nfs/dbraw/zinc/85/28/83/573852883.db2.gz PUELFIQVLAGMHU-LLVKDONJSA-N 0 0 168.280 2.585 10 0 AFAERN CS[C@H](C)Cn1c(C)ccc1C 122926215 573852907 /nfs/dbraw/zinc/85/29/07/573852907.db2.gz HLESQYKSLDULMQ-SNVBAGLBSA-N 0 0 183.320 2.856 10 0 AFAERN CC(C)=C[C@@](C)(O)c1ccccc1O 238167255 573852940 /nfs/dbraw/zinc/85/29/40/573852940.db2.gz HDBBBNNXOVQCCP-GFCCVEGCSA-N 0 0 192.258 2.566 10 0 AFAERN Cc1ccc(C)n1C[C@@]1(C)CCCO1 87257514 573852950 /nfs/dbraw/zinc/85/29/50/573852950.db2.gz XRHJAHRBUXBLOZ-GFCCVEGCSA-N 0 0 193.290 2.674 10 0 AFAERN CC(C)c1nc2c(Cl)nccc2o1 238166607 573852973 /nfs/dbraw/zinc/85/29/73/573852973.db2.gz INBAEQTXLXCTSV-UHFFFAOYSA-N 0 0 196.637 3.000 10 0 AFAERN Cc1ccc2occc2c1F 238540061 573852987 /nfs/dbraw/zinc/85/29/87/573852987.db2.gz RKZHSGXVWXBADB-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN CCc1ccc(CC)c(CC(C)=O)c1 258163075 573853016 /nfs/dbraw/zinc/85/30/16/573853016.db2.gz VEWBHJZGDMLUPY-UHFFFAOYSA-N 0 0 190.286 2.943 10 0 AFAERN CCSCCCC[C@H](C)CO 131364365 573853057 /nfs/dbraw/zinc/85/30/57/573853057.db2.gz KTMIDFPLSYAFQL-VIFPVBQESA-N 0 0 176.325 2.538 10 0 AFAERN OC1(Cc2ccco2)CCCCCC1 84355764 573853060 /nfs/dbraw/zinc/85/30/60/573853060.db2.gz PYUKTNVQQGUBND-UHFFFAOYSA-N 0 0 194.274 2.907 10 0 AFAERN C[C@]12C=CC[C@@]13CCC[C@@H]3CC2=O 238539118 573853064 /nfs/dbraw/zinc/85/30/64/573853064.db2.gz BXUTVTMRJFWPJF-YUSALJHKSA-N 0 0 176.259 2.712 10 0 AFAERN CSCCC[C@@H](C)C[C@H](C)O 131366558 573853106 /nfs/dbraw/zinc/85/31/06/573853106.db2.gz GUENUDSWFBXMIE-BDAKNGLRSA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)OCC[C@@H]1CCCCCC1=O 43650162 573853121 /nfs/dbraw/zinc/85/31/21/573853121.db2.gz GXTBXNLXYBHAGX-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C(C)C)CN2 87260716 573853130 /nfs/dbraw/zinc/85/31/30/573853130.db2.gz ZWZPFGIWPWGNKB-LBPRGKRZSA-N 0 0 190.290 2.857 10 0 AFAERN Cc1c(O)ccc2ccc(O)c(C)c12 238541404 573853142 /nfs/dbraw/zinc/85/31/42/573853142.db2.gz YVBPOVPGVFTVCL-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN Cc1ccc(C)n1C[C@]1(C)CCCO1 87257513 573853216 /nfs/dbraw/zinc/85/32/16/573853216.db2.gz XRHJAHRBUXBLOZ-LBPRGKRZSA-N 0 0 193.290 2.674 10 0 AFAERN CC1=N[C@@H](CC(C)C)NC(C)(C)C1 238154289 573853229 /nfs/dbraw/zinc/85/32/29/573853229.db2.gz FQHYSBZWOGTSEX-SNVBAGLBSA-N 0 0 182.311 2.591 10 0 AFAERN N=C(Cl)Nc1ccc(Cl)cc1 238541507 573853285 /nfs/dbraw/zinc/85/32/85/573853285.db2.gz FBNHTHSXYMHIGQ-UHFFFAOYSA-N 0 0 189.045 2.925 10 0 AFAERN OCc1ccccc1C1CC(F)(F)C1 258155423 573853287 /nfs/dbraw/zinc/85/32/87/573853287.db2.gz SHXMZOWIKUWNIV-UHFFFAOYSA-N 0 0 198.212 2.692 10 0 AFAERN COCCC[C@@H]1CCCCCC1=O 43650146 573853305 /nfs/dbraw/zinc/85/33/05/573853305.db2.gz XCBAINWPDKNPBQ-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN N=C(Cl)Nc1cccc(Cl)c1 238541531 573853310 /nfs/dbraw/zinc/85/33/10/573853310.db2.gz XPHLIJRKQFISOY-UHFFFAOYSA-N 0 0 189.045 2.925 10 0 AFAERN CC(C)(C)[C@]1(C)C(=O)[C@@H]2CC=C[C@@H]21 238166639 573853311 /nfs/dbraw/zinc/85/33/11/573853311.db2.gz RRKGXMOVRLHKMK-PTRXPTGYSA-N 0 0 178.275 2.814 10 0 AFAERN CC1CCC(O)(Cc2ccco2)CC1 84355778 573855196 /nfs/dbraw/zinc/85/51/96/573855196.db2.gz HNSDQGYFCBTCBN-UHFFFAOYSA-N 0 0 194.274 2.763 10 0 AFAERN Cc1cc(F)c2n[nH]c(Cl)c2c1 238541905 573855198 /nfs/dbraw/zinc/85/51/98/573855198.db2.gz DTQCAXPKYPWBCH-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN CC1=Nc2ccccc2SC(=O)C1 101224820 573855209 /nfs/dbraw/zinc/85/52/09/573855209.db2.gz CSWLHQJEBGLHMJ-UHFFFAOYSA-N 0 0 191.255 2.801 10 0 AFAERN C[C@]12CCCC[C@]13C[C@@H]3[C@@H](O)CC2 238542526 573854562 /nfs/dbraw/zinc/85/45/62/573854562.db2.gz LXEIOFYUCUBFMT-WRWGMCAJSA-N 0 0 180.291 2.728 10 0 AFAERN C[C@]12CCCC1=Cc1ccncc1N2 238541903 573854614 /nfs/dbraw/zinc/85/46/14/573854614.db2.gz QNMVVELYPOHTEG-LBPRGKRZSA-N 0 0 186.258 2.833 10 0 AFAERN CC(=O)c1cc(OC2CC2)ccc1F 238167004 573854674 /nfs/dbraw/zinc/85/46/74/573854674.db2.gz BGCUOJPEHSFOPS-UHFFFAOYSA-N 0 0 194.205 2.570 10 0 AFAERN Cc1coc2ccc([C@@H](C)CO)cc12 258155344 573854690 /nfs/dbraw/zinc/85/46/90/573854690.db2.gz ULNIHNIDEAHJHU-QMMMGPOBSA-N 0 0 190.242 2.837 10 0 AFAERN Cc1c(C)c(N)c(C)c(F)c1C 238542393 573854807 /nfs/dbraw/zinc/85/48/07/573854807.db2.gz PKLHIVFRMABZKT-UHFFFAOYSA-N 0 0 167.227 2.642 10 0 AFAERN Cc1c(O)cccc1[C@@H]1CCCC1=O 238542828 573854853 /nfs/dbraw/zinc/85/48/53/573854853.db2.gz CZPDIYCMDIYWEA-JTQLQIEISA-N 0 0 190.242 2.537 10 0 AFAERN Cc1ccc2c(c1)NC[C@@H](C(C)C)N2 87260699 573854868 /nfs/dbraw/zinc/85/48/68/573854868.db2.gz QOGZSNDPDPQLOV-LBPRGKRZSA-N 0 0 190.290 2.857 10 0 AFAERN Cc1nccc2cc([C@@H](C)O)ccc12 258163111 573854874 /nfs/dbraw/zinc/85/48/74/573854874.db2.gz VGAUCURDXOTPGR-SECBINFHSA-N 0 0 187.242 2.597 10 0 AFAERN Cc1cc2c(cc1CO)CCCCC2 238542337 573854890 /nfs/dbraw/zinc/85/48/90/573854890.db2.gz SDKKEFTUMJRALW-UHFFFAOYSA-N 0 0 190.286 2.756 10 0 AFAERN Fc1cccc(-c2ccns2)c1 238541741 573855015 /nfs/dbraw/zinc/85/50/15/573855015.db2.gz JHRNIVSCSAOCPU-UHFFFAOYSA-N 0 0 179.219 2.949 10 0 AFAERN Cc1ccc2sncc2c1F 238542248 573855035 /nfs/dbraw/zinc/85/50/35/573855035.db2.gz OUNMPIZCLCEGSQ-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN CC(C)=C[C@@H]1[C@@H](CCO)C1(C)C 238165848 573855047 /nfs/dbraw/zinc/85/50/47/573855047.db2.gz SABGKWRHQUIPIR-NXEZZACHSA-N 0 0 168.280 2.607 10 0 AFAERN CC(=O)c1cc(C)cc2c1CCC2 238165926 573855098 /nfs/dbraw/zinc/85/50/98/573855098.db2.gz IOKLFQMQWYHLIW-UHFFFAOYSA-N 0 0 174.243 2.686 10 0 AFAERN Cc1c(C)c(O)c(Cl)c(C)c1O 238542855 573855135 /nfs/dbraw/zinc/85/51/35/573855135.db2.gz HHCJZJZADYHDCM-UHFFFAOYSA-N 0 0 186.638 2.676 10 0 AFAERN CC/C=C\C(=O)O[C@@H](C)C1CCC1 308454469 573855141 /nfs/dbraw/zinc/85/51/41/573855141.db2.gz FOXCIRHWHATPKY-OTOXVQDCSA-N 0 0 182.263 2.684 10 0 AFAERN C[C@]12CCCC[C@@]13C[C@H]3C(=O)C2 238542290 573855155 /nfs/dbraw/zinc/85/51/55/573855155.db2.gz FCTMLKBBBRJLGS-GDPRMGEGSA-N 0 0 164.248 2.546 10 0 AFAERN Cc1cccc2c1SC[C@@H](C)N2 259212291 573855160 /nfs/dbraw/zinc/85/51/60/573855160.db2.gz LHVKFRMEVBRBDV-MRVPVSSYSA-N 0 0 179.288 2.901 10 0 AFAERN CC(=O)[C@@H]1CC[C@@]2(C)CCC[C@@H]12 238166544 573856264 /nfs/dbraw/zinc/85/62/64/573856264.db2.gz APFXRZBIAZKLCA-GARJFASQSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)[C@@H]1CC[C@]2(C)CCC(=O)O[C@@H]12 238153668 573856952 /nfs/dbraw/zinc/85/69/52/573856952.db2.gz BFGWZEQTMHYVEM-ZMLRMANQSA-N 0 0 196.290 2.764 10 0 AFAERN CC[C@@H](Cc1ccc(C)cc1)[C@H](C)O 43657090 573856331 /nfs/dbraw/zinc/85/63/31/573856331.db2.gz MYESIUYCSCIODI-AAEUAGOBSA-N 0 0 192.302 2.945 10 0 AFAERN CCCCOCCC[C@@H](O)C(C)C 43658077 573856344 /nfs/dbraw/zinc/85/63/44/573856344.db2.gz LDDVVCRLWFFXBR-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN Cc1cc(F)c2nc(Cl)ncc2c1 238542570 573856348 /nfs/dbraw/zinc/85/63/48/573856348.db2.gz KRHXEPCLUCVNBI-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN CSCCCCC[C@@H](O)C1CC1 131360999 573856397 /nfs/dbraw/zinc/85/63/97/573856397.db2.gz BCDXNIRHVCYRPK-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN COCc1cc2c(N)cccc2s1 258155747 573856406 /nfs/dbraw/zinc/85/64/06/573856406.db2.gz XBGKWCBUJGWMKE-UHFFFAOYSA-N 0 0 193.271 2.630 10 0 AFAERN CCC[C@@H](CC)Nc1nc(C)co1 308456892 573856428 /nfs/dbraw/zinc/85/64/28/573856428.db2.gz GGJGYTXOEKLISU-SECBINFHSA-N 0 0 182.267 2.974 10 0 AFAERN CC(C)=CCS/C(C)=C/CO 238153447 573856487 /nfs/dbraw/zinc/85/64/87/573856487.db2.gz HJHMUSGRBYMKHZ-RUDMXATFSA-N 0 0 172.293 2.582 10 0 AFAERN Cc1cc2c(c(C)c1C)C(=O)CC2 238541914 573856525 /nfs/dbraw/zinc/85/65/25/573856525.db2.gz MAQIRGURAKKPMV-UHFFFAOYSA-N 0 0 174.243 2.741 10 0 AFAERN CC(C)[C@@H](O)CCc1cccs1 43657927 573856545 /nfs/dbraw/zinc/85/65/45/573856545.db2.gz MTPMGENGEPRABN-JTQLQIEISA-N 0 0 184.304 2.698 10 0 AFAERN C[C@@H](CO)c1cccc(C(C)(C)F)c1 258155518 573856570 /nfs/dbraw/zinc/85/65/70/573856570.db2.gz UPRFZQVOOFWMFS-VIFPVBQESA-N 0 0 196.265 2.987 10 0 AFAERN CC[C@@H](Cc1ccccc1C)[C@H](C)O 43657102 573856606 /nfs/dbraw/zinc/85/66/06/573856606.db2.gz KONYXYJREAGHBX-RYUDHWBXSA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@H](Cc1ccccc1F)[C@H](C)O 43656951 573856644 /nfs/dbraw/zinc/85/66/44/573856644.db2.gz ITSLZZOTICOUOB-VHSXEESVSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@H](O)C(=O)C[C@@H]1CCC[C@H](C)C1 308455746 573856663 /nfs/dbraw/zinc/85/66/63/573856663.db2.gz BOLVULHDACYWDJ-AXFHLTTASA-N 0 0 198.306 2.543 10 0 AFAERN Cc1cc(N)n([C@H](C)CCC(C)C)n1 43664607 573856690 /nfs/dbraw/zinc/85/66/90/573856690.db2.gz UUOHTYAEMFRUSN-SNVBAGLBSA-N 0 0 195.310 2.771 10 0 AFAERN CC(C)[C@@H]1CC[C@@]2(C)C(=O)C[C@@H]12 238153869 573856697 /nfs/dbraw/zinc/85/66/97/573856697.db2.gz CDSYVWBECPYHGS-ATZCPNFKSA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)[C@@H]1CC[C@H]1C(C)(C)C 238166884 573856702 /nfs/dbraw/zinc/85/67/02/573856702.db2.gz RYGUKPSYKPQGKZ-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CSCc1cc2c(N)cccc2o1 258155839 573856765 /nfs/dbraw/zinc/85/67/65/573856765.db2.gz XDFPNNLECGJATP-UHFFFAOYSA-N 0 0 193.271 2.878 10 0 AFAERN Cc1cc(F)c2nc(Cl)[nH]c2c1 238542480 573856779 /nfs/dbraw/zinc/85/67/79/573856779.db2.gz CXLZQUGJRUEPSH-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN CCC[C@H]1C[C@@H](C)CC[C@@H]1O 43660274 573856793 /nfs/dbraw/zinc/85/67/93/573856793.db2.gz WTGWXFHPWIWAQU-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](O)C(=O)C[C@H]1CCC[C@H](C)C1 308455747 573856795 /nfs/dbraw/zinc/85/67/95/573856795.db2.gz BOLVULHDACYWDJ-DCAQKATOSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)=C[C@@H]1[C@H]2CCCC(=O)[C@@H]12 238166930 573856805 /nfs/dbraw/zinc/85/68/05/573856805.db2.gz BUSUSSALAUBSOY-FXPVBKGRSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cc(F)c2cc(C)[nH]c2c1 238542160 573856842 /nfs/dbraw/zinc/85/68/42/573856842.db2.gz BBEAWACYTCLVIW-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN CC[C@H](Cc1ccc(F)cc1)[C@@H](C)O 43657093 573856882 /nfs/dbraw/zinc/85/68/82/573856882.db2.gz KGQCTKBOOBLCID-MWLCHTKSSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@@H]1CCC(=O)[C@H](CCCOC)C1 43653641 573856896 /nfs/dbraw/zinc/85/68/96/573856896.db2.gz FMVORHDGGBXJEC-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN OC1(Cc2ccccc2Cl)CCC1 84360643 573856897 /nfs/dbraw/zinc/85/68/97/573856897.db2.gz VJYPTQDJFHGBOS-UHFFFAOYSA-N 0 0 196.677 2.798 10 0 AFAERN CC(C)[C@@H]1CC[C@]2(C)OC(=O)C=C[C@@H]12 238153726 573856911 /nfs/dbraw/zinc/85/69/11/573856911.db2.gz MLLDOOXUYGNYNJ-NHCYSSNCSA-N 0 0 194.274 2.540 10 0 AFAERN CC[C@H](CCC(C)C)[C@@H](C)O 43656929 573856920 /nfs/dbraw/zinc/85/69/20/573856920.db2.gz NTTSQOLDGRPMPG-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)NC(=O)[C@H](C)C1CCCCC1 238154411 573856938 /nfs/dbraw/zinc/85/69/38/573856938.db2.gz YDFJQTUKCJJGCN-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN O[C@@H]1CC[C@H](/C=C\c2ccccc2)C1 308456286 573857034 /nfs/dbraw/zinc/85/70/34/573857034.db2.gz XERNFLKIGXSOER-ASOISWSRSA-N 0 0 188.270 2.861 10 0 AFAERN CCCCC[C@@H](CC)[C@H](C)O 43656938 573857733 /nfs/dbraw/zinc/85/77/33/573857733.db2.gz SZUHCUOLGQSBTP-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN OC1(Cc2ccc(Cl)cc2)CCC1 84360633 573857736 /nfs/dbraw/zinc/85/77/36/573857736.db2.gz OSDBKJHPCPBRNT-UHFFFAOYSA-N 0 0 196.677 2.798 10 0 AFAERN O=C1C[C@@H]2CCC[C@@H]2c2occc21 197061834 573857737 /nfs/dbraw/zinc/85/77/37/573857737.db2.gz JNYOORAKVHMWJC-YUMQZZPRSA-N 0 0 176.215 2.750 10 0 AFAERN CC[C@@H](Cc1ccsc1)[C@@H](C)O 43657150 573857750 /nfs/dbraw/zinc/85/77/50/573857750.db2.gz AONHKKIHGSHNPR-SCZZXKLOSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@H](Cc1cccs1)[C@@H](C)O 43657005 573857064 /nfs/dbraw/zinc/85/70/64/573857064.db2.gz TYMPZUBDRGKGGT-RKDXNWHRSA-N 0 0 184.304 2.698 10 0 AFAERN CCc1ccc(C[C@H](C)[C@H](C)O)s1 43658655 573857767 /nfs/dbraw/zinc/85/77/67/573857767.db2.gz SXDLWTYZPUMOLC-IUCAKERBSA-N 0 0 198.331 2.870 10 0 AFAERN C[C@@H]1CCNc2cc(Cl)ccc2N1 87261215 573857068 /nfs/dbraw/zinc/85/70/68/573857068.db2.gz JJHUKUHZTVAUEP-SSDOTTSWSA-N 0 0 196.681 2.956 10 0 AFAERN CC[C@]1(C)CNc2cc(F)ccc2N1 87261677 573857093 /nfs/dbraw/zinc/85/70/93/573857093.db2.gz GQZQTMSIPSVJLR-LLVKDONJSA-N 0 0 194.253 2.832 10 0 AFAERN C[C@H](O)CCCCc1ccccc1 43656826 573857094 /nfs/dbraw/zinc/85/70/94/573857094.db2.gz LNSWZXFVGLLXKC-NSHDSACASA-N 0 0 178.275 2.780 10 0 AFAERN CCSCCCC1=C[C@@H](O)CC1 131379728 573857133 /nfs/dbraw/zinc/85/71/33/573857133.db2.gz FSOVHXXOEPBBQY-JTQLQIEISA-N 0 0 186.320 2.601 10 0 AFAERN OCC1(c2ccccc2Cl)CCC1 84360653 573857209 /nfs/dbraw/zinc/85/72/09/573857209.db2.gz UHCHMZCPRMIKIN-UHFFFAOYSA-N 0 0 196.677 2.754 10 0 AFAERN Clc1cccc2c1NC1(CC1)CN2 87261345 573857220 /nfs/dbraw/zinc/85/72/20/573857220.db2.gz QDWXQHSKTLURDY-UHFFFAOYSA-N 0 0 194.665 2.710 10 0 AFAERN CCCCOCCC[C@@H](O)CCC 43657479 573857245 /nfs/dbraw/zinc/85/72/45/573857245.db2.gz FMZWYFFYIAAIMA-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCc1ccc(C[C@H](C)[C@@H](C)O)s1 43658653 573857261 /nfs/dbraw/zinc/85/72/61/573857261.db2.gz SXDLWTYZPUMOLC-DTWKUNHWSA-N 0 0 198.331 2.870 10 0 AFAERN CCc1ccc(C[C@@H](C)[C@H](C)O)s1 43658654 573857281 /nfs/dbraw/zinc/85/72/81/573857281.db2.gz SXDLWTYZPUMOLC-BDAKNGLRSA-N 0 0 198.331 2.870 10 0 AFAERN Cc1c(O)cnc(C(F)F)c1Cl 238544301 573857299 /nfs/dbraw/zinc/85/72/99/573857299.db2.gz FRLOTCKJXANUMR-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN C[C@@H]1CNc2cccc(Cl)c2NC1 87261497 573857329 /nfs/dbraw/zinc/85/73/29/573857329.db2.gz OKJLRZFGFOLKOH-SSDOTTSWSA-N 0 0 196.681 2.814 10 0 AFAERN O[C@@H]1CC[C@@H](/C=C\c2ccccc2)C1 308456290 573857395 /nfs/dbraw/zinc/85/73/95/573857395.db2.gz XERNFLKIGXSOER-ZSBJFDRYSA-N 0 0 188.270 2.861 10 0 AFAERN CC[C@H](Cc1ccccc1C)[C@H](C)O 43657103 573857398 /nfs/dbraw/zinc/85/73/98/573857398.db2.gz KONYXYJREAGHBX-NWDGAFQWSA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@H]1CCC(=O)[C@H](CCCOC)C1 43653643 573857410 /nfs/dbraw/zinc/85/74/10/573857410.db2.gz FMVORHDGGBXJEC-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)c1cc(O)cc([C@H](C)CO)c1 258155537 573857416 /nfs/dbraw/zinc/85/74/16/573857416.db2.gz UQCHUAMXRZZQJL-SECBINFHSA-N 0 0 194.274 2.611 10 0 AFAERN CC[C@H]1CNc2ccc(F)c(F)c2N1 87261204 573857455 /nfs/dbraw/zinc/85/74/55/573857455.db2.gz WVOINRJVYJEFSY-LURJTMIESA-N 0 0 198.216 2.581 10 0 AFAERN CC[C@@H](O)CCCOc1ccccc1 43657848 573857494 /nfs/dbraw/zinc/85/74/94/573857494.db2.gz BWNRMRMDWBTGLF-LLVKDONJSA-N 0 0 194.274 2.617 10 0 AFAERN CC(C)Nc1cc2ccccc2n1C 238168163 573857535 /nfs/dbraw/zinc/85/75/35/573857535.db2.gz GULGDJPJHFXQFT-UHFFFAOYSA-N 0 0 188.274 2.999 10 0 AFAERN CC[C@@]1(C)CNc2cc(F)ccc2N1 87261678 573857567 /nfs/dbraw/zinc/85/75/67/573857567.db2.gz GQZQTMSIPSVJLR-NSHDSACASA-N 0 0 194.253 2.832 10 0 AFAERN O=C1C[C@@H]2CCC[C@H]2c2occc21 197061860 573857571 /nfs/dbraw/zinc/85/75/71/573857571.db2.gz JNYOORAKVHMWJC-JGVFFNPUSA-N 0 0 176.215 2.750 10 0 AFAERN CC[C@@H](Cc1cccc(C)c1)[C@@H](C)O 43657096 573857576 /nfs/dbraw/zinc/85/75/76/573857576.db2.gz DFAWDSSSQSXHOA-YPMHNXCESA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@H](CC1CCCC1)[C@H](C)O 43657201 573857590 /nfs/dbraw/zinc/85/75/90/573857590.db2.gz ZQQNWYILJPBNCK-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)(C)[C@H](CO)c1cccc(O)c1 258155699 573857643 /nfs/dbraw/zinc/85/76/43/573857643.db2.gz SLBPMRMUWDAVHT-LLVKDONJSA-N 0 0 194.274 2.514 10 0 AFAERN C[C@H]1CCNc2cc(Cl)ccc2N1 87261216 573857675 /nfs/dbraw/zinc/85/76/75/573857675.db2.gz JJHUKUHZTVAUEP-ZETCQYMHSA-N 0 0 196.681 2.956 10 0 AFAERN O=C1C[C@H]2CCC[C@@H]2c2occc21 197061820 573857685 /nfs/dbraw/zinc/85/76/85/573857685.db2.gz JNYOORAKVHMWJC-SFYZADRCSA-N 0 0 176.215 2.750 10 0 AFAERN Cc1cc(N)n([C@@H](C)CCC(C)C)n1 43664606 573857021 /nfs/dbraw/zinc/85/70/21/573857021.db2.gz UUOHTYAEMFRUSN-JTQLQIEISA-N 0 0 195.310 2.771 10 0 AFAERN CC[C@@H](Cc1ccc(F)cc1)[C@H](C)O 43657094 573857998 /nfs/dbraw/zinc/85/79/98/573857998.db2.gz KGQCTKBOOBLCID-ONGXEEELSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@H]1CNc2cc(C)ccc2N1C 87262272 573858006 /nfs/dbraw/zinc/85/80/06/573858006.db2.gz PRJWVGZBBXNSSY-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN Cc1cccc([C@@H](O)CC(F)F)c1 238544083 573858008 /nfs/dbraw/zinc/85/80/08/573858008.db2.gz ZNRKVAAGXZWAGE-VIFPVBQESA-N 0 0 186.201 2.684 10 0 AFAERN CC[C@@H]1CNc2ccc(C)cc2NC1 87262452 573858560 /nfs/dbraw/zinc/85/85/60/573858560.db2.gz LCSUQTVUQYOGAY-SNVBAGLBSA-N 0 0 190.290 2.859 10 0 AFAERN Fc1ccnc(C2CCCC2)c1 238546786 573860063 /nfs/dbraw/zinc/86/00/63/573860063.db2.gz KMYWDSAOSBCKFV-UHFFFAOYSA-N 0 0 165.211 2.878 10 0 AFAERN CC(C)=C[C@H](O)C(C)=C(C)C 238169152 573860066 /nfs/dbraw/zinc/86/00/66/573860066.db2.gz LNWHUGFAHNGPDT-JTQLQIEISA-N 0 0 154.253 2.670 10 0 AFAERN CC[C@H](O)C(=O)C[C@@H]1CCC[C@@H](C)C1 308455749 573858053 /nfs/dbraw/zinc/85/80/53/573858053.db2.gz BOLVULHDACYWDJ-MXWKQRLJSA-N 0 0 198.306 2.543 10 0 AFAERN Cc1ccc2c(c1)NC[C@H](C1CC1)N2 87262402 573858066 /nfs/dbraw/zinc/85/80/66/573858066.db2.gz DKBPDGBOQAKKKO-GFCCVEGCSA-N 0 0 188.274 2.611 10 0 AFAERN CC[C@@H]1CNc2cc(C)ccc2N1 87261175 573858074 /nfs/dbraw/zinc/85/80/74/573858074.db2.gz RFGXNUAIAVGAFU-SECBINFHSA-N 0 0 176.263 2.611 10 0 AFAERN CCC[C@H]1CNc2ccc(F)cc2N1 87261456 573858103 /nfs/dbraw/zinc/85/81/03/573858103.db2.gz KXHRVGZWJDFQCY-VIFPVBQESA-N 0 0 194.253 2.832 10 0 AFAERN CC[C@@H](Cc1cccc(F)c1)[C@H](C)O 43657086 573858115 /nfs/dbraw/zinc/85/81/15/573858115.db2.gz YYOINXWKBQAMTQ-ONGXEEELSA-N 0 0 196.265 2.775 10 0 AFAERN CCCCC[C@@H](CC)[C@@H](C)O 43656936 573858123 /nfs/dbraw/zinc/85/81/23/573858123.db2.gz SZUHCUOLGQSBTP-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN OC1(Cc2cccc(Cl)c2)CCC1 84360636 573858156 /nfs/dbraw/zinc/85/81/56/573858156.db2.gz UTPNPUXYLOSLEW-UHFFFAOYSA-N 0 0 196.677 2.798 10 0 AFAERN O[C@]1(C2CC2)CCC[C@H](C2CC2)C1 84375312 573860090 /nfs/dbraw/zinc/86/00/90/573860090.db2.gz FVDLEROZWDBDFA-CMPLNLGQSA-N 0 0 180.291 2.728 10 0 AFAERN CC[C@H]1CNc2ccc(C)cc2NC1 87262453 573860095 /nfs/dbraw/zinc/86/00/95/573860095.db2.gz LCSUQTVUQYOGAY-JTQLQIEISA-N 0 0 190.290 2.859 10 0 AFAERN Cc1ccc(Cl)c(C)c1CCCO 258157115 573860097 /nfs/dbraw/zinc/86/00/97/573860097.db2.gz PCQKWPVSWHVVQP-UHFFFAOYSA-N 0 0 198.693 2.882 10 0 AFAERN CCSCCC[C@H](C)C[C@H](C)O 131367405 573858185 /nfs/dbraw/zinc/85/81/85/573858185.db2.gz YHRAGVPEWXQTCB-UWVGGRQHSA-N 0 0 190.352 2.927 10 0 AFAERN CC(=O)[C@H]1CC[C@]1(C)C=C(C)C 238167469 573858225 /nfs/dbraw/zinc/85/82/25/573858225.db2.gz RONDNAVXBPXJQM-GHMZBOCLSA-N 0 0 166.264 2.958 10 0 AFAERN CC1(C)CCNc2cc(F)ccc2N1 87261764 573858245 /nfs/dbraw/zinc/85/82/45/573858245.db2.gz ZQBMKWCVTQDWCZ-UHFFFAOYSA-N 0 0 194.253 2.832 10 0 AFAERN Fc1ccc([C@@]23CC[C@@H](C2)OC3)cc1 258156411 573858246 /nfs/dbraw/zinc/85/82/46/573858246.db2.gz LOIPRSBWFUSSSY-RYUDHWBXSA-N 0 0 192.233 2.646 10 0 AFAERN CC[C@H]1CNc2cccc(F)c2NC1 87262465 573858291 /nfs/dbraw/zinc/85/82/91/573858291.db2.gz KJJNESKQNXOTJA-QMMMGPOBSA-N 0 0 194.253 2.689 10 0 AFAERN CC(=O)[C@@H]1CC[C@]1(C)C=C(C)C 238167486 573858296 /nfs/dbraw/zinc/85/82/96/573858296.db2.gz RONDNAVXBPXJQM-WDEREUQCSA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)C[C@H]1C[C@]1(C)C=C(C)C 238167537 573858322 /nfs/dbraw/zinc/85/83/22/573858322.db2.gz MAUMQLVDVFVQJQ-QWRGUYRKSA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)C[C@@H]1C[C@]1(C)C=C(C)C 238167578 573858333 /nfs/dbraw/zinc/85/83/33/573858333.db2.gz MAUMQLVDVFVQJQ-MNOVXSKESA-N 0 0 166.264 2.958 10 0 AFAERN OCCC1(c2cccc(Cl)c2)CC1 84360659 573858349 /nfs/dbraw/zinc/85/83/49/573858349.db2.gz CTSXSOOESFLBSA-UHFFFAOYSA-N 0 0 196.677 2.754 10 0 AFAERN Cc1ccccc1-c1cocc1N 258156015 573858388 /nfs/dbraw/zinc/85/83/88/573858388.db2.gz QDGPGSKHDZJMAH-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CC[C@@H](O)CCCOCCC(C)C 43657844 573858401 /nfs/dbraw/zinc/85/84/01/573858401.db2.gz RLTYKYLDGHADRH-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)(O)c1c(F)ccc2occc12 258163179 573858424 /nfs/dbraw/zinc/85/84/24/573858424.db2.gz VICJMTDQKOQVTM-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN CCC[C@@H]1CNc2ccc(F)cc2N1 87261455 573858439 /nfs/dbraw/zinc/85/84/39/573858439.db2.gz KXHRVGZWJDFQCY-SECBINFHSA-N 0 0 194.253 2.832 10 0 AFAERN CC[C@H](O)C(=O)C[C@H]1CCC[C@@H](C)C1 308455751 573858441 /nfs/dbraw/zinc/85/84/41/573858441.db2.gz BOLVULHDACYWDJ-VWYCJHECSA-N 0 0 198.306 2.543 10 0 AFAERN CCC[C@H]1CNc2c(F)cccc2N1 87261452 573858515 /nfs/dbraw/zinc/85/85/15/573858515.db2.gz VMIMBNIOPOMPEL-QMMMGPOBSA-N 0 0 194.253 2.832 10 0 AFAERN CC1(C)CNc2ccc(F)c(F)c2N1 87261557 573858522 /nfs/dbraw/zinc/85/85/22/573858522.db2.gz FQFPHIMVBCDMLD-UHFFFAOYSA-N 0 0 198.216 2.581 10 0 AFAERN CC(C)[C@H]1CNc2ccc(F)cc2N1 87260731 573860824 /nfs/dbraw/zinc/86/08/24/573860824.db2.gz RZWZELIFRTTZMH-LLVKDONJSA-N 0 0 194.253 2.688 10 0 AFAERN CC[C@H]1CNc2cccc(Cl)c2N1 87261184 573860850 /nfs/dbraw/zinc/86/08/50/573860850.db2.gz ZECZKNACDVSJPP-ZETCQYMHSA-N 0 0 196.681 2.956 10 0 AFAERN C[C@@H]1CCNc2ccc(F)c(F)c2N1 87261251 573860856 /nfs/dbraw/zinc/86/08/56/573860856.db2.gz RMWBTBFODUJUNN-ZCFIWIBFSA-N 0 0 198.216 2.581 10 0 AFAERN CC[C@H]1CCCC[C@@]1(O)C1CC1 84375277 573860904 /nfs/dbraw/zinc/86/09/04/573860904.db2.gz XPJNAEOVMQVWOI-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@]1(C)CNc2c(F)cccc2N1 87261698 573860912 /nfs/dbraw/zinc/86/09/12/573860912.db2.gz CHYGNJHFFOBALL-NSHDSACASA-N 0 0 194.253 2.832 10 0 AFAERN C[C@@]1(C2CC2)CNc2ccccc2N1 87261814 573860918 /nfs/dbraw/zinc/86/09/18/573860918.db2.gz PBZCNVCIAZYEPQ-LBPRGKRZSA-N 0 0 188.274 2.693 10 0 AFAERN CC[C@@H]1CCCC[C@]1(O)C1CC1 84375274 573860924 /nfs/dbraw/zinc/86/09/24/573860924.db2.gz XPJNAEOVMQVWOI-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN CC(=O)[C@H]1C=C[C@H](C(C)(C)C)C1 238168089 573860930 /nfs/dbraw/zinc/86/09/30/573860930.db2.gz HMXCYGYZQGSQOZ-UWVGGRQHSA-N 0 0 166.264 2.814 10 0 AFAERN CCC[C@@H]1CNc2c(F)cccc2N1 87261451 573860931 /nfs/dbraw/zinc/86/09/31/573860931.db2.gz VMIMBNIOPOMPEL-MRVPVSSYSA-N 0 0 194.253 2.832 10 0 AFAERN CC(C)[C@@H]1N=CNc2ccccc21 238167444 573860937 /nfs/dbraw/zinc/86/09/37/573860937.db2.gz IZKXQHUHWOZJQX-NSHDSACASA-N 0 0 174.247 2.647 10 0 AFAERN C[C@@H]1CCC[C@@](O)(C2CC2)[C@@H]1C 84375334 573860938 /nfs/dbraw/zinc/86/09/38/573860938.db2.gz FSFJUTBKHKACLZ-KKZNHRDASA-N 0 0 168.280 2.584 10 0 AFAERN CC(=O)[C@@H]1C[C@@]2(C)CCC[C@@]12C 238169614 573860967 /nfs/dbraw/zinc/86/09/67/573860967.db2.gz OXIXTEFNNYHMCA-AXFHLTTASA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc2c(c1)NCC[C@H](C)N2 87261217 573860979 /nfs/dbraw/zinc/86/09/79/573860979.db2.gz NQSFBBYIYPYEGV-VIFPVBQESA-N 0 0 176.263 2.611 10 0 AFAERN C[C@H]1CCC[C@](O)(C2CC2)CC1 84375401 573860989 /nfs/dbraw/zinc/86/09/89/573860989.db2.gz CYOALGLRPNRHBI-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN CSCCCC(C)(C)C[C@H](C)O 131368888 573860996 /nfs/dbraw/zinc/86/09/96/573860996.db2.gz RDVPWHDQLCCQDF-VIFPVBQESA-N 0 0 190.352 2.927 10 0 AFAERN C=C=C[C@H](O)c1c(C)cc(C)cc1C 238546530 573860997 /nfs/dbraw/zinc/86/09/97/573860997.db2.gz ABNYLKSAYRIKQL-LBPRGKRZSA-N 0 0 188.270 2.986 10 0 AFAERN Cc1c[nH]c(C)c1CC(C)C 238168940 573861000 /nfs/dbraw/zinc/86/10/00/573861000.db2.gz VPEYCXUNPAFUIP-UHFFFAOYSA-N 0 0 151.253 2.830 10 0 AFAERN CC[C@@H]1CCCC[C@@]1(O)C1CC1 84375276 573861010 /nfs/dbraw/zinc/86/10/10/573861010.db2.gz XPJNAEOVMQVWOI-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccnc(-c2ccccc2O)c1 238547004 573861018 /nfs/dbraw/zinc/86/10/18/573861018.db2.gz JUWQCAAWLZJIJF-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN C[C@@H]1CCNc2cccc(Cl)c2N1 87261227 573861045 /nfs/dbraw/zinc/86/10/45/573861045.db2.gz VYXJNMYHKLBFJH-SSDOTTSWSA-N 0 0 196.681 2.956 10 0 AFAERN Fc1cnc(Cl)c(C2CC2)c1 238548259 573861092 /nfs/dbraw/zinc/86/10/92/573861092.db2.gz IRMQIQDMHSUFQV-UHFFFAOYSA-N 0 0 171.602 2.752 10 0 AFAERN CC(C)=C[C@]1(C)C(=O)[C@@H]2C=CC[C@@H]21 238168330 573861105 /nfs/dbraw/zinc/86/11/05/573861105.db2.gz WQTJCVCEPIHJTF-SCVCMEIPSA-N 0 0 176.259 2.734 10 0 AFAERN CC[C@@H]1CCC[C@](O)(C2CC2)C1 84375266 573861208 /nfs/dbraw/zinc/86/12/08/573861208.db2.gz LNRDAPWUHGSFDT-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN CC1(C)CNc2cc(Cl)ccc2N1 87261540 573861253 /nfs/dbraw/zinc/86/12/53/573861253.db2.gz UJYGYPLYVXOOIU-UHFFFAOYSA-N 0 0 196.681 2.956 10 0 AFAERN CSCCCC1=C[C@@H](O)CCC1 131375921 573861265 /nfs/dbraw/zinc/86/12/65/573861265.db2.gz QSNMPURBTWKKGR-JTQLQIEISA-N 0 0 186.320 2.601 10 0 AFAERN CCN1CCCNc2ccc(C)cc21 87262040 573861278 /nfs/dbraw/zinc/86/12/78/573861278.db2.gz DSCTUCILQGIART-UHFFFAOYSA-N 0 0 190.290 2.637 10 0 AFAERN O=C1CC[C@@H](c2cccc(Cl)n2)C1 238546922 573861339 /nfs/dbraw/zinc/86/13/39/573861339.db2.gz FAHYMKAEYXPEBM-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN CC[C@@H]1CNc2cc(C)ccc2N1C 87262271 573861370 /nfs/dbraw/zinc/86/13/70/573861370.db2.gz PRJWVGZBBXNSSY-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN Cc1cccc([C@H](O)CC(F)F)c1 238547464 573861416 /nfs/dbraw/zinc/86/14/16/573861416.db2.gz ZNRKVAAGXZWAGE-SECBINFHSA-N 0 0 186.201 2.684 10 0 AFAERN C[C@H]1C[C@](O)(C2CC2)CC[C@H]1C 84375326 573861437 /nfs/dbraw/zinc/86/14/37/573861437.db2.gz ZMKJSYMTRCMMKF-YWVKMMECSA-N 0 0 168.280 2.584 10 0 AFAERN Cc1c(C(F)F)c(Cl)c[nH]c1=O 238547472 573861466 /nfs/dbraw/zinc/86/14/66/573861466.db2.gz RXTCCICIVDSMAJ-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CC[C@]1(C)CNc2c(F)cccc2N1 87261697 573861478 /nfs/dbraw/zinc/86/14/78/573861478.db2.gz CHYGNJHFFOBALL-LLVKDONJSA-N 0 0 194.253 2.832 10 0 AFAERN CC1(C)CCNc2c(F)cccc2N1 87261775 573861509 /nfs/dbraw/zinc/86/15/09/573861509.db2.gz CSZAENQBYDTVKP-UHFFFAOYSA-N 0 0 194.253 2.832 10 0 AFAERN CC[C@@H]1CNc2cccc(Cl)c2N1 87261183 573861518 /nfs/dbraw/zinc/86/15/18/573861518.db2.gz ZECZKNACDVSJPP-SSDOTTSWSA-N 0 0 196.681 2.956 10 0 AFAERN Cc1ccc([C@@H](C)O)c2c1CCCC2 258165690 573861547 /nfs/dbraw/zinc/86/15/47/573861547.db2.gz VJOHZFBEXUAZNK-SNVBAGLBSA-N 0 0 190.286 2.927 10 0 AFAERN CC1(C)C[C@]1(CO)C1CCCCC1 259036050 573861574 /nfs/dbraw/zinc/86/15/74/573861574.db2.gz SBRIOMPBKBIKLE-LBPRGKRZSA-N 0 0 182.307 2.975 10 0 AFAERN CC(=O)[C@@H]1CC[C@]2(C)CCC[C@@H]12 238167287 573861577 /nfs/dbraw/zinc/86/15/77/573861577.db2.gz APFXRZBIAZKLCA-DCAQKATOSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@H](C)c1ccc(C)c(F)c1 87285389 573864178 /nfs/dbraw/zinc/86/41/78/573864178.db2.gz SGIDCRCWXCOVLK-QMMMGPOBSA-N 0 0 180.222 2.827 10 0 AFAERN Cc1cscc1C(=O)C1CC1 87287877 573864226 /nfs/dbraw/zinc/86/42/26/573864226.db2.gz DCBMTONYMDQSDO-UHFFFAOYSA-N 0 0 166.245 2.649 10 0 AFAERN CCCCC[C@H]1OC=CCC[C@H]1O 215101164 573864277 /nfs/dbraw/zinc/86/42/77/573864277.db2.gz YQENQWDUTATXHD-GHMZBOCLSA-N 0 0 184.279 2.620 10 0 AFAERN Cc1coc(NC(=O)OC(C)(C)C)c1 238549275 573864308 /nfs/dbraw/zinc/86/43/08/573864308.db2.gz NJLAPSXVLRFGHF-UHFFFAOYSA-N 0 0 197.234 2.935 10 0 AFAERN CC(C)=C[C@H]1[C@H](CCO)C1(C)C 238171741 573864324 /nfs/dbraw/zinc/86/43/24/573864324.db2.gz SABGKWRHQUIPIR-UWVGGRQHSA-N 0 0 168.280 2.607 10 0 AFAERN CC(C)=C[C@H]1C=CC(C)(C)C1=O 238169906 573864326 /nfs/dbraw/zinc/86/43/26/573864326.db2.gz BWOMYADYLDYMEC-SECBINFHSA-N 0 0 164.248 2.734 10 0 AFAERN O[C@H](CC1CC1)c1ccc(Cl)cn1 87285853 573864328 /nfs/dbraw/zinc/86/43/28/573864328.db2.gz NQOBBWMKMNWWFN-SNVBAGLBSA-N 0 0 197.665 2.569 10 0 AFAERN CCOCCCCc1ccc(C)cn1 308457217 573864370 /nfs/dbraw/zinc/86/43/70/573864370.db2.gz CCUHUJAJSSAJRY-UHFFFAOYSA-N 0 0 193.290 2.749 10 0 AFAERN CC(C)C[C@@H](O)c1ccc(Cl)cn1 87285844 573864403 /nfs/dbraw/zinc/86/44/03/573864403.db2.gz FRRGGBNHFBPHQE-SNVBAGLBSA-N 0 0 199.681 2.815 10 0 AFAERN CCc1ccc2c(c1)C(=O)CSC2 125309508 573864406 /nfs/dbraw/zinc/86/44/06/573864406.db2.gz GKJCHURVYLTNRB-UHFFFAOYSA-N 0 0 192.283 2.679 10 0 AFAERN Fc1ccc(C=Cc2cc[nH]n2)cc1 101449933 573864437 /nfs/dbraw/zinc/86/44/37/573864437.db2.gz SEBVFZBPCHYAJE-UTCJRWHESA-N 0 0 188.205 2.719 10 0 AFAERN CC(C)=C[C@@H]1C(=O)[C@@H]1C=C(C)C 238171135 573864446 /nfs/dbraw/zinc/86/44/46/573864446.db2.gz HETSXJXXXQYHPA-AOOOYVTPSA-N 0 0 164.248 2.734 10 0 AFAERN CC(C)=C[C@H]1Cc2ccccc2N1 238171928 573864651 /nfs/dbraw/zinc/86/46/51/573864651.db2.gz PJCQPPPQAPXRMP-NSHDSACASA-N 0 0 173.259 2.989 10 0 AFAERN NC(=O)[C@@]12CCCCC[C@@H]1CCCC2 238548892 573864671 /nfs/dbraw/zinc/86/46/71/573864671.db2.gz HZBZLJXEKDABJP-ZYHUDNBSSA-N 0 0 195.306 2.612 10 0 AFAERN Cc1cscc1C(=O)c1ccoc1 87287990 573864725 /nfs/dbraw/zinc/86/47/25/573864725.db2.gz AZLLHDZCRDAHTD-UHFFFAOYSA-N 0 0 192.239 2.881 10 0 AFAERN O[C@@H](CC1CC1)c1ccc(Cl)cn1 87285854 573864744 /nfs/dbraw/zinc/86/47/44/573864744.db2.gz NQOBBWMKMNWWFN-JTQLQIEISA-N 0 0 197.665 2.569 10 0 AFAERN CC(C)=C[C@H]1C=C(C)CC[C@@H]1CO 238169883 573864760 /nfs/dbraw/zinc/86/47/60/573864760.db2.gz PBZZEKXAPQBTMN-NEPJUHHUSA-N 0 0 180.291 2.917 10 0 AFAERN Cc1cccc(S/C=C/CO)c1 238540800 573864781 /nfs/dbraw/zinc/86/47/81/573864781.db2.gz GZLGLCCCWXZINH-XVNBXDOJSA-N 0 0 180.272 2.593 10 0 AFAERN Clc1cc(Cl)c2cncn2c1 238540723 573864789 /nfs/dbraw/zinc/86/47/89/573864789.db2.gz VZJYHNUQBHHANN-UHFFFAOYSA-N 0 0 187.029 2.641 10 0 AFAERN Cc1cccc(Oc2cnsn2)c1 76500916 573864832 /nfs/dbraw/zinc/86/48/32/573864832.db2.gz VIYODDPXIMBJNW-UHFFFAOYSA-N 0 0 192.243 2.639 10 0 AFAERN CC(C)=C[C@@H]1C=CC(C)(C)C1=O 238163715 573872184 /nfs/dbraw/zinc/87/21/84/573872184.db2.gz BWOMYADYLDYMEC-VIFPVBQESA-N 0 0 164.248 2.734 10 0 AFAERN C[C@]12CCCC(=O)[C@@H]1[C@@H]1CCC[C@@H]12 238541289 573871043 /nfs/dbraw/zinc/87/10/43/573871043.db2.gz JNGKRKCRLJPESZ-LLHIFLOGSA-N 0 0 178.275 2.792 10 0 AFAERN CCn1cc(C)nc1SC(C)C 257891406 573871047 /nfs/dbraw/zinc/87/10/47/573871047.db2.gz MJQLZAQSZGCGLY-UHFFFAOYSA-N 0 0 184.308 2.712 10 0 AFAERN C[C@H](Nc1nccs1)c1ccoc1 87290487 573871083 /nfs/dbraw/zinc/87/10/83/573871083.db2.gz JQQKDNWZEOHUEI-ZETCQYMHSA-N 0 0 194.259 2.909 10 0 AFAERN CSc1ncc(Cl)n1C(C)C 258441319 573871221 /nfs/dbraw/zinc/87/12/21/573871221.db2.gz FHPPPJGAHGEMJF-UHFFFAOYSA-N 0 0 190.699 2.839 10 0 AFAERN C[C@H]1SCc2ccc(F)cc2C1=O 125319824 573871279 /nfs/dbraw/zinc/87/12/79/573871279.db2.gz NWPIQHFLXRZSPI-ZCFIWIBFSA-N 0 0 196.246 2.644 10 0 AFAERN CC[C@@H](C)Oc1cccc(N(C)C)c1 210201013 573871346 /nfs/dbraw/zinc/87/13/46/573871346.db2.gz PNXIWKLTUQSUHO-SNVBAGLBSA-N 0 0 193.290 2.930 10 0 AFAERN O=Cc1ccc2c(c1)N(Cl)C=CC2 238541196 573871361 /nfs/dbraw/zinc/87/13/61/573871361.db2.gz WVFFDPSYIDDEFA-UHFFFAOYSA-N 0 0 193.633 2.529 10 0 AFAERN C[C@@H]1C(=O)c2ccc(F)c(F)c2[C@@H]1C 235754850 573871784 /nfs/dbraw/zinc/87/17/84/573871784.db2.gz NDBGREITTDXRKA-RITPCOANSA-N 0 0 196.196 2.901 10 0 AFAERN Cc1coc2c3c(ccc12)CCO3 401983289 573871804 /nfs/dbraw/zinc/87/18/04/573871804.db2.gz YFJUQYHODOOODH-UHFFFAOYSA-N 0 0 174.199 2.676 10 0 AFAERN CC(C)=C[C@@H]1C=C(C)CC[C@H]1CO 238163688 573872301 /nfs/dbraw/zinc/87/23/01/573872301.db2.gz PBZZEKXAPQBTMN-NWDGAFQWSA-N 0 0 180.291 2.917 10 0 AFAERN Fc1ncc(C(F)F)c(F)c1Cl 238550834 573872317 /nfs/dbraw/zinc/87/23/17/573872317.db2.gz BIYORIYVZHSDMM-UHFFFAOYSA-N 0 0 199.534 2.951 10 0 AFAERN CC1=N[C@@H](C(C)(C)C)NC(C)(C)C1 238172594 573872349 /nfs/dbraw/zinc/87/23/49/573872349.db2.gz MRZAKFQICKHDPJ-SECBINFHSA-N 0 0 182.311 2.591 10 0 AFAERN Cc1cscc1[C@@H](O)CC1CC1 87288156 573872385 /nfs/dbraw/zinc/87/23/85/573872385.db2.gz MCHKLCVUGVCGMS-JTQLQIEISA-N 0 0 182.288 2.890 10 0 AFAERN CCN(C)c1coc2ccccc12 258979492 573872389 /nfs/dbraw/zinc/87/23/89/573872389.db2.gz CGFIPRIURAJREG-UHFFFAOYSA-N 0 0 175.231 2.889 10 0 AFAERN Cc1cccc2c1CS[C@H](C)C2=O 125328545 573872425 /nfs/dbraw/zinc/87/24/25/573872425.db2.gz NFBSWQDRBNIJTG-MRVPVSSYSA-N 0 0 192.283 2.813 10 0 AFAERN C[C@@H]1SCc2c(F)cccc2C1=O 125327410 573872558 /nfs/dbraw/zinc/87/25/58/573872558.db2.gz XIFWGOHCHLVGMA-LURJTMIESA-N 0 0 196.246 2.644 10 0 AFAERN CC(=O)c1c(O)cccc1C(C)C 238163343 573872565 /nfs/dbraw/zinc/87/25/65/573872565.db2.gz HNIHQHUUUYAUDA-UHFFFAOYSA-N 0 0 178.231 2.718 10 0 AFAERN Cc1noc(C2CCCCC2)c1CO 238550005 573872595 /nfs/dbraw/zinc/87/25/95/573872595.db2.gz QABDZOJHRKRLQU-UHFFFAOYSA-N 0 0 195.262 2.523 10 0 AFAERN C[C@H](O)C[C@H](C)C1CCCCC1 84400752 573872598 /nfs/dbraw/zinc/87/25/98/573872598.db2.gz LCWBIZXOSALLGR-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN CC(=C/CO)/C=C/C1=CCCCC1 238165067 573872645 /nfs/dbraw/zinc/87/26/45/573872645.db2.gz WFIOQZRSIWAAAX-OHFYBLQUSA-N 0 0 178.275 2.982 10 0 AFAERN C=C=C(C)[C@H](O)c1ccc(C)cc1 238163607 573872650 /nfs/dbraw/zinc/87/26/50/573872650.db2.gz YZLOCOXCNUSKOC-LBPRGKRZSA-N 0 0 174.243 2.760 10 0 AFAERN CC(C)c1cccc([C@@H](C)CO)c1O 238163903 573872670 /nfs/dbraw/zinc/87/26/70/573872670.db2.gz QDBDLFDLLLYEEL-VIFPVBQESA-N 0 0 194.274 2.611 10 0 AFAERN CC(=O)c1[nH]c2c(c1C)CCCCC2 238163327 573872729 /nfs/dbraw/zinc/87/27/29/573872729.db2.gz KNYKSWDAIRURNF-UHFFFAOYSA-N 0 0 191.274 2.795 10 0 AFAERN Clc1cccc(-c2nccs2)n1 238550814 573872780 /nfs/dbraw/zinc/87/27/80/573872780.db2.gz GNZZRYVWFNWBLN-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN C[C@]12CCCC(=O)[C@@]13C[C@H]3CC2 238541327 573872835 /nfs/dbraw/zinc/87/28/35/573872835.db2.gz OEZXDRSIIBUUJV-IEBDPFPHSA-N 0 0 164.248 2.546 10 0 AFAERN Oc1ccc(-c2cnc(Cl)o2)cc1 258441597 573872856 /nfs/dbraw/zinc/87/28/56/573872856.db2.gz FKYMIYFXNODQGB-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN CC(C)Nc1cccc(OC(C)C)n1 238164337 573872886 /nfs/dbraw/zinc/87/28/86/573872886.db2.gz SZLRRERTXNJCEK-UHFFFAOYSA-N 0 0 194.278 2.689 10 0 AFAERN CC(=C/CO)/C=C/c1ccccc1C 238165434 573872950 /nfs/dbraw/zinc/87/29/50/573872950.db2.gz MITPJKKGOYORGV-OHFYBLQUSA-N 0 0 188.270 2.947 10 0 AFAERN Cc1c(N)cccc1NCC1(C)CC1 235755818 573872972 /nfs/dbraw/zinc/87/29/72/573872972.db2.gz XDBXMRLJMSMNAJ-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CC(C)C[C@H]1C(=O)CC[C@H]1C 238164014 573873027 /nfs/dbraw/zinc/87/30/27/573873027.db2.gz JOYJYHVNAYJAEW-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN O=C1CC[C@H](c2ccnc(Cl)c2)C1 238549758 573873055 /nfs/dbraw/zinc/87/30/55/573873055.db2.gz XVFOZNBLTVXUJI-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN Clc1cnc(-c2ccccc2)o1 258441691 573873798 /nfs/dbraw/zinc/87/37/98/573873798.db2.gz FLLAEOVVHJUJDE-UHFFFAOYSA-N 0 0 179.606 2.995 10 0 AFAERN CC(=O)[C@@H]1CCCC[C@@]1(C)Cl 238163967 573873853 /nfs/dbraw/zinc/87/38/53/573873853.db2.gz KNDGWIQFKZDRKA-DTWKUNHWSA-N 0 0 174.671 2.763 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1ncccc1C 233282476 573873859 /nfs/dbraw/zinc/87/38/59/573873859.db2.gz WKGKODBYELVMNU-PWSUYJOCSA-N 0 0 193.290 2.860 10 0 AFAERN Cc1cc(CN(C)O)c(C)cc1Cl 215002122 573873920 /nfs/dbraw/zinc/87/39/20/573873920.db2.gz NZZYZTIAINMEBX-UHFFFAOYSA-N 0 0 199.681 2.778 10 0 AFAERN CC(C)Nc1ccccc1C(C)(C)O 238164539 573873958 /nfs/dbraw/zinc/87/39/58/573873958.db2.gz JXNLXXKZTZKPCI-UHFFFAOYSA-N 0 0 193.290 2.734 10 0 AFAERN Cc1coc2cc3c(cc12)CCO3 401981370 573874024 /nfs/dbraw/zinc/87/40/24/573874024.db2.gz RGGIRGKROWVSDM-UHFFFAOYSA-N 0 0 174.199 2.676 10 0 AFAERN CCc1ccc(Cl)cc1CN(C)O 215001840 573874081 /nfs/dbraw/zinc/87/40/81/573874081.db2.gz QFPNGLHCCCKXPS-UHFFFAOYSA-N 0 0 199.681 2.723 10 0 AFAERN CC(C)C(F)(F)C1CC1 258978702 573874118 /nfs/dbraw/zinc/87/41/18/573874118.db2.gz JDPDWAJKMJWVIE-UHFFFAOYSA-N 0 0 134.169 2.688 10 0 AFAERN Cc1cscc1[C@@H](O)C(C)C 87288142 573874138 /nfs/dbraw/zinc/87/41/38/573874138.db2.gz BEAKDWIJLSXVHQ-VIFPVBQESA-N 0 0 170.277 2.746 10 0 AFAERN Cc1cn(-c2ccccc2N)cc1C 238551704 573874266 /nfs/dbraw/zinc/87/42/66/573874266.db2.gz NMBUQHLIPMOVDV-UHFFFAOYSA-N 0 0 186.258 2.676 10 0 AFAERN CC1(C)/C=C/CCCCC1=O 238172512 573874348 /nfs/dbraw/zinc/87/43/48/573874348.db2.gz ZXEWMWMXIOOXBP-SOFGYWHQSA-N 0 0 152.237 2.712 10 0 AFAERN Fc1ncc(C(F)F)c(Cl)c1F 238551117 573874416 /nfs/dbraw/zinc/87/44/16/573874416.db2.gz SWQDQJXVUUONOX-UHFFFAOYSA-N 0 0 199.534 2.951 10 0 AFAERN CC(=C=CCCO)C(C)(C)C 238164394 573874455 /nfs/dbraw/zinc/87/44/55/573874455.db2.gz XKKQHTYSEPXWGW-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN Clc1cc(-c2ccco2)no1 238551828 573874503 /nfs/dbraw/zinc/87/45/03/573874503.db2.gz IGKJFIJOYQBTBK-UHFFFAOYSA-N 0 0 169.567 2.588 10 0 AFAERN CCC(CC)c1nccc(F)n1 689997313 573874526 /nfs/dbraw/zinc/87/45/26/573874526.db2.gz KGQHRDKSUHKGAR-UHFFFAOYSA-N 0 0 168.215 2.519 10 0 AFAERN Fc1cccc2c1CCCS2 238552387 573874529 /nfs/dbraw/zinc/87/45/29/573874529.db2.gz VQTJSMBXAQENNB-UHFFFAOYSA-N 0 0 168.236 2.864 10 0 AFAERN CC(C)=C[C@@H](O)c1cccnc1Cl 238163393 573874541 /nfs/dbraw/zinc/87/45/41/573874541.db2.gz XZENGORTJZFMDB-SECBINFHSA-N 0 0 197.665 2.735 10 0 AFAERN Cc1cc(CC(C)C)ccc1CO 238172525 573875706 /nfs/dbraw/zinc/87/57/06/573875706.db2.gz LLAIAYVDTAUBNR-UHFFFAOYSA-N 0 0 178.275 2.686 10 0 AFAERN CCCC[C@@H]1C=CC[C@H]1CCO 215323314 573874919 /nfs/dbraw/zinc/87/49/19/573874919.db2.gz PGPZODGFBHQWHO-MNOVXSKESA-N 0 0 168.280 2.751 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1ccccn1 233282297 573875020 /nfs/dbraw/zinc/87/50/20/573875020.db2.gz BLQITJGRXOHGHT-KOLCDFICSA-N 0 0 179.263 2.551 10 0 AFAERN CC(C)Nc1ccc([S-])cc1 238164132 573875166 /nfs/dbraw/zinc/87/51/66/573875166.db2.gz QKPGHVPIENXGJQ-UHFFFAOYSA-N 0 0 167.277 2.796 10 0 AFAERN Cc1cnc(Oc2ccccc2)n1C 257895669 573875199 /nfs/dbraw/zinc/87/51/99/573875199.db2.gz NGDCUNBVIBWNBC-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN CC[C@@H](C)C[C@@H](NN)C(C)(C)CC 131459555 573875451 /nfs/dbraw/zinc/87/54/51/573875451.db2.gz OUSZRCKTRXFXRH-NXEZZACHSA-N 0 0 186.343 2.691 10 0 AFAERN CCCC[C@@H]1C=CC[C@@H]1CCO 215323222 573875486 /nfs/dbraw/zinc/87/54/86/573875486.db2.gz PGPZODGFBHQWHO-GHMZBOCLSA-N 0 0 168.280 2.751 10 0 AFAERN CCc1cc(Cl)cc(CN(C)O)c1 215001769 573875553 /nfs/dbraw/zinc/87/55/53/573875553.db2.gz CURYHECWIWBUTM-UHFFFAOYSA-N 0 0 199.681 2.723 10 0 AFAERN Cn1ccc2ccc(OC(F)F)cc21 238551987 573877190 /nfs/dbraw/zinc/87/71/90/573877190.db2.gz XKTQHFQLHNDAFV-UHFFFAOYSA-N 0 0 197.184 2.780 10 0 AFAERN Cc1ccc2c(c1)C(C)(C)C(=O)CC2 259218057 573877328 /nfs/dbraw/zinc/87/73/28/573877328.db2.gz JSWQSQIJPVAYHF-UHFFFAOYSA-N 0 0 188.270 2.788 10 0 AFAERN O=C1CCC[C@H]2CCCC[C@]12F 238551499 573877332 /nfs/dbraw/zinc/87/73/32/573877332.db2.gz IISMYMYXUPPAEI-PSASIEDQSA-N 0 0 170.227 2.638 10 0 AFAERN Cc1c(C2(C)CCCCC2)noc1N 235759291 573877456 /nfs/dbraw/zinc/87/74/56/573877456.db2.gz NEIRFXPKYOLNPX-UHFFFAOYSA-N 0 0 194.278 2.787 10 0 AFAERN OCSc1ccc2c(c1)CCCC2 259218161 573877614 /nfs/dbraw/zinc/87/76/14/573877614.db2.gz MDNJETJXDXUWNJ-UHFFFAOYSA-N 0 0 194.299 2.607 10 0 AFAERN Cc1c(N)cccc1OC/C=C/Cl 235758975 573877637 /nfs/dbraw/zinc/87/76/37/573877637.db2.gz KVJGYOHWKUHPAL-ZZXKWVIFSA-N 0 0 197.665 2.709 10 0 AFAERN CCOCc1c[nH]c2c(F)cccc12 257895474 573877652 /nfs/dbraw/zinc/87/76/52/573877652.db2.gz NBGWZBDNCMDYEG-UHFFFAOYSA-N 0 0 193.221 2.844 10 0 AFAERN CC1=C[C@@H](O)[C@@H](c2ccccc2)CC1 238176721 573877672 /nfs/dbraw/zinc/87/76/72/573877672.db2.gz UBSZLHPEGCGVFW-CHWSQXEVSA-N 0 0 188.270 2.871 10 0 AFAERN Clc1cccc2c1N1C=CC[C@@H]1N2 238551950 573877734 /nfs/dbraw/zinc/87/77/34/573877734.db2.gz ADKWRXGHJBUVGK-SECBINFHSA-N 0 0 192.649 2.815 10 0 AFAERN Cc1ccc(CN(C)O)c(C)c1Cl 215001974 573877744 /nfs/dbraw/zinc/87/77/44/573877744.db2.gz QJRPMIRZBJZJFF-UHFFFAOYSA-N 0 0 199.681 2.778 10 0 AFAERN Clc1cc(-c2cccs2)n[nH]1 238551860 573877749 /nfs/dbraw/zinc/87/77/49/573877749.db2.gz HXKDZWLBPMUIPC-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN CC(=O)c1nc(-c2ccoc2)cs1 87307635 573877766 /nfs/dbraw/zinc/87/77/66/573877766.db2.gz AKHRKXDIMLYFDF-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN Cc1cccc(NCc2cnco2)c1 84413108 573877778 /nfs/dbraw/zinc/87/77/78/573877778.db2.gz AHUXOOYTMUFPMI-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1ccsc1Cn1cccc1 87311274 573877816 /nfs/dbraw/zinc/87/78/16/573877816.db2.gz RYFIWHJMDNEYFC-UHFFFAOYSA-N 0 0 177.272 2.906 10 0 AFAERN CC[C@H](C)C[C@H](NN)C(C)(C)CC 131459349 573877851 /nfs/dbraw/zinc/87/78/51/573877851.db2.gz OUSZRCKTRXFXRH-UWVGGRQHSA-N 0 0 186.343 2.691 10 0 AFAERN C[C@@H](O)CC(C)(C)c1ccccc1F 84418051 573877872 /nfs/dbraw/zinc/87/78/72/573877872.db2.gz SWDSHVKRBXKZNM-SECBINFHSA-N 0 0 196.265 2.874 10 0 AFAERN CCC[C@@H](C)OCCCC(=O)CC 233282461 573877932 /nfs/dbraw/zinc/87/79/32/573877932.db2.gz TWBDCBLXIJDIFM-SNVBAGLBSA-N 0 0 186.295 2.951 10 0 AFAERN Cc1ccc(NC2CC2)cc1 76577395 573879219 /nfs/dbraw/zinc/87/92/19/573879219.db2.gz JWYUSPOSCXGYST-UHFFFAOYSA-N 0 0 147.221 2.569 10 0 AFAERN Cc1cc(NC(=O)OC(C)C)c(C)o1 238175932 573879301 /nfs/dbraw/zinc/87/93/01/573879301.db2.gz QVZVSLRXPRMSGN-UHFFFAOYSA-N 0 0 197.234 2.853 10 0 AFAERN CC(C)C[C@]1(C)[C@H](CO)C12C=CC=C2 238165794 573879308 /nfs/dbraw/zinc/87/93/08/573879308.db2.gz AZJBYMMXLHDUNJ-NWDGAFQWSA-N 0 0 192.302 2.773 10 0 AFAERN CC(C)(O)c1ccc2cnsc2c1 258171137 573879353 /nfs/dbraw/zinc/87/93/53/573879353.db2.gz VVWPIAQJZQHUIW-UHFFFAOYSA-N 0 0 193.271 2.524 10 0 AFAERN Cc1cc2c([C@@H](C)O)cccc2o1 258171260 573879362 /nfs/dbraw/zinc/87/93/62/573879362.db2.gz SETGPRAKJNEPEI-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN OC1CCC(OC2CCCCC2)CC1 101684962 573879367 /nfs/dbraw/zinc/87/93/67/573879367.db2.gz UKPFIFXGDSPYDC-UHFFFAOYSA-N 0 0 198.306 2.639 10 0 AFAERN CCC(=O)O[C@H](C)C1CCCC1 307943319 573879404 /nfs/dbraw/zinc/87/94/04/573879404.db2.gz FHSVSEPOUBNHAG-MRVPVSSYSA-N 0 0 170.252 2.518 10 0 AFAERN Cc1ccc(NCc2cnco2)cc1 84413404 573879447 /nfs/dbraw/zinc/87/94/47/573879447.db2.gz PKLMIWWYLHUHAK-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1cccc2c1CS[C@@H](C)[C@H]2O 125354545 573879488 /nfs/dbraw/zinc/87/94/88/573879488.db2.gz NRLDFLLXABMXGR-GZMMTYOYSA-N 0 0 194.299 2.664 10 0 AFAERN Cc1cc(C)c(CN(C)O)c(Cl)c1 215002195 573879599 /nfs/dbraw/zinc/87/95/99/573879599.db2.gz HLKCNMZJGDPDTJ-UHFFFAOYSA-N 0 0 199.681 2.778 10 0 AFAERN Cc1ccccc1NCc1cnco1 84413417 573879627 /nfs/dbraw/zinc/87/96/27/573879627.db2.gz GTINGZQTPFPCLJ-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1cc(C=O)ccc1-c1ccc[nH]1 235757237 573879758 /nfs/dbraw/zinc/87/97/58/573879758.db2.gz ZRFHAFPSXNYDDA-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN c1coc([C@@H]2Nc3ccccc3O2)c1 238553904 573879787 /nfs/dbraw/zinc/87/97/87/573879787.db2.gz NNEOQIWROQEKCC-LLVKDONJSA-N 0 0 187.198 2.783 10 0 AFAERN Fc1cccc2c(Cl)c[nH]c12 238553839 573879800 /nfs/dbraw/zinc/87/98/00/573879800.db2.gz INWJVWXLJLZOHH-UHFFFAOYSA-N 0 0 169.586 2.960 10 0 AFAERN COC(=O)c1c(C)cccc1SC 223696582 573879842 /nfs/dbraw/zinc/87/98/42/573879842.db2.gz DDJIMQIKSROTOI-UHFFFAOYSA-N 0 0 196.271 2.504 10 0 AFAERN Cc1cccc2c1CS[C@H](C)[C@@H]2O 125353880 573879844 /nfs/dbraw/zinc/87/98/44/573879844.db2.gz NRLDFLLXABMXGR-KCJUWKMLSA-N 0 0 194.299 2.664 10 0 AFAERN CCc1nnc(C2(CC)CCCC2)[nH]1 87317339 573879906 /nfs/dbraw/zinc/87/99/06/573879906.db2.gz JWLDBKWZBMEMDU-UHFFFAOYSA-N 0 0 193.294 2.589 10 0 AFAERN CCCc1nc(C2(C)CCCC2)n[nH]1 87317345 573880395 /nfs/dbraw/zinc/88/03/95/573880395.db2.gz VNRVRNXGZSAEDR-UHFFFAOYSA-N 0 0 193.294 2.589 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1scnc1C 233282534 573880445 /nfs/dbraw/zinc/88/04/45/573880445.db2.gz BMUYQSWSRDOKJB-APPZFPTMSA-N 0 0 199.319 2.921 10 0 AFAERN Cc1cccc2c(Cl)nc(C)n12 258170763 573880527 /nfs/dbraw/zinc/88/05/27/573880527.db2.gz IDGQGJFNHRAGGH-UHFFFAOYSA-N 0 0 180.638 2.605 10 0 AFAERN CC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)C1(C)C 238178655 573880556 /nfs/dbraw/zinc/88/05/56/573880556.db2.gz RFIWMVYEEJUZSZ-OUAUKWLOSA-N 0 0 178.275 2.814 10 0 AFAERN CCOC(=O)C/C=C\c1ccccc1 14651508 573880603 /nfs/dbraw/zinc/88/06/03/573880603.db2.gz QGHDRPQXRRBNNR-TWGQIWQCSA-N 0 0 190.242 2.653 10 0 AFAERN CC[C@@H]1C[C@]1(O)C1(C)CCCC1 87329772 573880790 /nfs/dbraw/zinc/88/07/90/573880790.db2.gz NWMXOCWUSLACSJ-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN Clc1cc2cc[nH]c2nc1Cl 101787320 573880865 /nfs/dbraw/zinc/88/08/65/573880865.db2.gz YNZKDKGJGNBDNA-UHFFFAOYSA-N 0 0 187.029 2.647 10 0 AFAERN CC(C)Cc1ccc2c(c1)[C@H](O)CC2 87316837 573880994 /nfs/dbraw/zinc/88/09/94/573880994.db2.gz MSODMJZIKXCKPF-CYBMUJFWSA-N 0 0 190.286 2.865 10 0 AFAERN CC(=O)CP(C(C)C)C(C)C 238178592 573881027 /nfs/dbraw/zinc/88/10/27/573881027.db2.gz BKTRYMSJDDRKIT-UHFFFAOYSA-N 0 0 174.224 2.874 10 0 AFAERN Cc1c[nH]c(=O)c2sc(Cl)cc12 238553154 573881072 /nfs/dbraw/zinc/88/10/72/573881072.db2.gz RDWDXPRNNATNCC-UHFFFAOYSA-N 0 0 199.662 2.551 10 0 AFAERN C[C@@H]1S[C@@H](C)[C@@H](O)c2ccccc21 125359148 573881090 /nfs/dbraw/zinc/88/10/90/573881090.db2.gz VZRZCHGFOJZMIT-DKCNOQQISA-N 0 0 194.299 2.916 10 0 AFAERN COC(=O)C[C@H](/C=C/Cl)C(C)C 238369344 573881142 /nfs/dbraw/zinc/88/11/42/573881142.db2.gz DWOPHMCARVLZMG-ZJELKQJVSA-N 0 0 190.670 2.574 10 0 AFAERN CCC[C@]1(C)CCCC1=O 80304371 573883884 /nfs/dbraw/zinc/88/38/84/573883884.db2.gz PCPKXXRAVMYAFD-SECBINFHSA-N 0 0 140.226 2.546 10 0 AFAERN Fc1cccc2cc(Cl)[nH]c12 238554456 573883918 /nfs/dbraw/zinc/88/39/18/573883918.db2.gz GCPROWSQLOOTGV-UHFFFAOYSA-N 0 0 169.586 2.960 10 0 AFAERN C=C=C([C@@H](O)C(C)(C)C)n1cccc1 238178470 573883952 /nfs/dbraw/zinc/88/39/52/573883952.db2.gz WCUHMBBBCQVXOD-LLVKDONJSA-N 0 0 191.274 2.521 10 0 AFAERN CC1=C[C@@H]2CC(=O)C[C@@H]2C1(C)C 238178034 573883243 /nfs/dbraw/zinc/88/32/43/573883243.db2.gz GXDWVCQDYKLMES-SCZZXKLOSA-N 0 0 164.248 2.568 10 0 AFAERN CCc1c(C2(C)CCCC2)noc1N 87317191 573883367 /nfs/dbraw/zinc/88/33/67/573883367.db2.gz SYVZWOBBNSHXEK-UHFFFAOYSA-N 0 0 194.278 2.651 10 0 AFAERN CC(C)=C[C@H](CO)CC(C)C 238178668 573883386 /nfs/dbraw/zinc/88/33/86/573883386.db2.gz HGAMCJOAOBVKFN-JTQLQIEISA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)[C@H]([NH3+])c1ccc(F)s1 238177710 573883438 /nfs/dbraw/zinc/88/34/38/573883438.db2.gz HMBSUVKJLANIKO-QMMMGPOBSA-N 0 0 173.256 2.543 10 0 AFAERN CC1([C@H](O)c2ccc[nH]2)CCCC1 87318395 573883552 /nfs/dbraw/zinc/88/35/52/573883552.db2.gz VIKLHEITMCSIQW-SNVBAGLBSA-N 0 0 179.263 2.628 10 0 AFAERN CC(C)CCC(=O)c1cccnc1 41199759 573883670 /nfs/dbraw/zinc/88/36/70/573883670.db2.gz DEJYQLHAPDYDJK-UHFFFAOYSA-N 0 0 177.247 2.701 10 0 AFAERN CC1(C)CC(=O)C12CCCCC2 238177387 573883683 /nfs/dbraw/zinc/88/36/83/573883683.db2.gz RQLLUBDUACUXIS-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CCc1ccc(C[C@@H](C)[C@H](C)O)cc1 41206004 573883737 /nfs/dbraw/zinc/88/37/37/573883737.db2.gz LBRRJTQTRLUPFP-MNOVXSKESA-N 0 0 192.302 2.808 10 0 AFAERN CC(C)(C)[C@H](O)C1C=CCCC=C1 238178880 573883771 /nfs/dbraw/zinc/88/37/71/573883771.db2.gz LUBFWIRAAQWCSW-LLVKDONJSA-N 0 0 180.291 2.916 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(C)cc1F 87333187 573883788 /nfs/dbraw/zinc/88/37/88/573883788.db2.gz DCPSTMKKFVDLDX-JOYOIKCWSA-N 0 0 194.249 2.752 10 0 AFAERN CC1=C[C@H]2C(=O)[C@@H](C1)[C@@H]1CCC[C@@H]21 238180242 573885300 /nfs/dbraw/zinc/88/53/00/573885300.db2.gz FUUIPRWIMMJVOX-DBIOUOCHSA-N 0 0 176.259 2.568 10 0 AFAERN CCOCc1coc2cc(N)ccc12 258172885 573885321 /nfs/dbraw/zinc/88/53/21/573885321.db2.gz YGOHGWUQNIMZFL-UHFFFAOYSA-N 0 0 191.230 2.552 10 0 AFAERN CNc1ccccc1-c1ncc(C)o1 222772583 573885329 /nfs/dbraw/zinc/88/53/29/573885329.db2.gz KGPVCJWCGSIEIH-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN O=C1CCC[C@H]1c1cc(Cl)ccn1 238554317 573885355 /nfs/dbraw/zinc/88/53/55/573885355.db2.gz IYDNMALLFIUIDK-QMMMGPOBSA-N 0 0 195.649 2.572 10 0 AFAERN CC(C)(C)[C@H](O)OCc1ccccc1 238180233 573885428 /nfs/dbraw/zinc/88/54/28/573885428.db2.gz UCGPPANJGODETE-LLVKDONJSA-N 0 0 194.274 2.568 10 0 AFAERN CCc1ccc(C[C@H](C)[C@H](C)O)cc1 41206005 573885477 /nfs/dbraw/zinc/88/54/77/573885477.db2.gz LBRRJTQTRLUPFP-QWRGUYRKSA-N 0 0 192.302 2.808 10 0 AFAERN CC/C(C)=C/[C@H]1C[C@H]1C(C)=O 238180344 573885641 /nfs/dbraw/zinc/88/56/41/573885641.db2.gz CWRCKLZYVVMNLQ-MLXLLJIISA-N 0 0 152.237 2.568 10 0 AFAERN FC(F)(F)[C@@H]1N=Nc2ncccc21 238555221 573885726 /nfs/dbraw/zinc/88/57/26/573885726.db2.gz JBYGOKHNFRXFST-RXMQYKEDSA-N 0 0 187.124 2.782 10 0 AFAERN COC1(c2ccccc2C(C)=O)CC1 259579631 573885756 /nfs/dbraw/zinc/88/57/56/573885756.db2.gz YCQGTWLUQJNLEV-UHFFFAOYSA-N 0 0 190.242 2.525 10 0 AFAERN CCCC[C@H](O)[C@H](C)C(C)C 144793928 573885851 /nfs/dbraw/zinc/88/58/51/573885851.db2.gz DCQBPJNCROSLEX-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN OC[C@H]1CCC[C@H]2CCCC[C@H]12 80229298 573885912 /nfs/dbraw/zinc/88/59/12/573885912.db2.gz MFEUDYLNPARYNR-MXWKQRLJSA-N 0 0 168.280 2.585 10 0 AFAERN Cc1cnoc1-c1ccc(F)cc1 102159632 573890045 /nfs/dbraw/zinc/89/00/45/573890045.db2.gz REOPSUAZNAKDRF-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN CCC[C@H](O)[C@@H](CC)OC(C)(C)C 44226613 573889462 /nfs/dbraw/zinc/88/94/62/573889462.db2.gz VWQOKZQBMVQLDF-VHSXEESVSA-N 0 0 188.311 2.741 10 0 AFAERN Cc1ccc(-c2ccc(N)nc2)cc1C 41209417 573889507 /nfs/dbraw/zinc/88/95/07/573889507.db2.gz QAKUDIHDIJGQEC-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCCOC[C@@H](O)c1ccccc1 44235476 573889508 /nfs/dbraw/zinc/88/95/08/573889508.db2.gz OTVMOLZVFCISJO-GFCCVEGCSA-N 0 0 194.274 2.537 10 0 AFAERN CC(=O)c1cccc(C)c1Cl 84429380 573889553 /nfs/dbraw/zinc/88/95/53/573889553.db2.gz BNWNFFNIWGJDPX-UHFFFAOYSA-N 0 0 168.623 2.851 10 0 AFAERN CCCCO[C@H](CC)[C@@H](O)CCC 44235053 573889631 /nfs/dbraw/zinc/88/96/31/573889631.db2.gz JRLYAWWCFVXLCG-WDEREUQCSA-N 0 0 188.311 2.743 10 0 AFAERN CC[C@H]1CC(=O)Nc2ccc(F)cc21 257894861 573889741 /nfs/dbraw/zinc/88/97/41/573889741.db2.gz XUFIUPGNICFYPD-ZETCQYMHSA-N 0 0 193.221 2.662 10 0 AFAERN CC[C@@H](O)[C@H]1C=Cc2ccccc21 80316119 573889784 /nfs/dbraw/zinc/88/97/84/573889784.db2.gz YQNQMGRTYJPXSB-NWDGAFQWSA-N 0 0 174.243 2.568 10 0 AFAERN Cc1cc(N)ccc1COC(C)C 258173544 573889806 /nfs/dbraw/zinc/88/98/06/573889806.db2.gz RWEFCJAHRFNGMT-UHFFFAOYSA-N 0 0 179.263 2.502 10 0 AFAERN O=C1CC[C@H](Cc2cccc(F)c2)C1 80383835 573889832 /nfs/dbraw/zinc/88/98/32/573889832.db2.gz MKDPABALRRELQJ-SNVBAGLBSA-N 0 0 192.233 2.737 10 0 AFAERN Cc1cc(C)c2c(c1)CSC[C@@H]2O 125380443 573889870 /nfs/dbraw/zinc/88/98/70/573889870.db2.gz QJMKBCZIBQOKBJ-JTQLQIEISA-N 0 0 194.299 2.584 10 0 AFAERN CC12CCC(CCC1=O)CC2 238181266 573889877 /nfs/dbraw/zinc/88/98/77/573889877.db2.gz CUTHXQOHLQWTNV-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CCCCO[C@H](CC)[C@H](O)CCC 44235045 573889930 /nfs/dbraw/zinc/88/99/30/573889930.db2.gz JRLYAWWCFVXLCG-GHMZBOCLSA-N 0 0 188.311 2.743 10 0 AFAERN CC[C@@H](O)[C@H](C)Oc1cccc(C)c1 44211729 573889955 /nfs/dbraw/zinc/88/99/55/573889955.db2.gz YOXBYSJTRXDIOQ-CMPLNLGQSA-N 0 0 194.274 2.533 10 0 AFAERN CSCC[C@@H]1CCCCC[C@H]1O 123014572 573890013 /nfs/dbraw/zinc/89/00/13/573890013.db2.gz GFLJDIGPAGSZFH-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CCC(C)(C)[C@@H](CC1CCCC1)NN 131621298 573893851 /nfs/dbraw/zinc/89/38/51/573893851.db2.gz BGDHIGGJSBOMFA-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN Clc1ccc(CC2CC2)cn1 238563437 573893858 /nfs/dbraw/zinc/89/38/58/573893858.db2.gz UTORJBMFAWPHHM-UHFFFAOYSA-N 0 0 167.639 2.688 10 0 AFAERN CSCC[C@H]1CCCCC[C@H]1O 123014760 573893888 /nfs/dbraw/zinc/89/38/88/573893888.db2.gz GFLJDIGPAGSZFH-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@H](O)[C@@H](C)OCCCC(C)C 44228054 573893236 /nfs/dbraw/zinc/89/32/36/573893236.db2.gz PJCPJPMJQUUOAE-MNOVXSKESA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](O)[C@@H](C)Oc1ccccc1C 44212148 573893302 /nfs/dbraw/zinc/89/33/02/573893302.db2.gz ZRCZQSORMRNVOT-MNOVXSKESA-N 0 0 194.274 2.533 10 0 AFAERN CC(C)c1cc(F)c(F)c(C[NH3+])c1 258173733 573893361 /nfs/dbraw/zinc/89/33/61/573893361.db2.gz WBDMHCBNRZGPLN-UHFFFAOYSA-N 0 0 185.217 2.547 10 0 AFAERN CC1CCC([C@@H](O)C2CC2)CC1 80362586 573893396 /nfs/dbraw/zinc/89/33/96/573893396.db2.gz LNJWVIPAWPTIHT-NWGYLPEXSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@@H](O)[C@H](C)OCCCC(C)C 44228067 573893447 /nfs/dbraw/zinc/89/34/47/573893447.db2.gz PJCPJPMJQUUOAE-WDEREUQCSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](O)[C@H](C)OCCCC(C)C 44228062 573893477 /nfs/dbraw/zinc/89/34/77/573893477.db2.gz PJCPJPMJQUUOAE-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN CCSCC(C)(C)C 80316450 573893530 /nfs/dbraw/zinc/89/35/30/573893530.db2.gz HWSIHEGMHQIQAN-UHFFFAOYSA-N 0 0 132.272 2.786 10 0 AFAERN CC1(C)SCc2ccccc2[C@H]1O 125392206 573893559 /nfs/dbraw/zinc/89/35/59/573893559.db2.gz LYNANQSUFLRAHG-SNVBAGLBSA-N 0 0 194.299 2.745 10 0 AFAERN CCC(=O)[C@H](C)Cc1ccccc1F 41206663 573893709 /nfs/dbraw/zinc/89/37/09/573893709.db2.gz DZXJGQNWSZEBAM-SECBINFHSA-N 0 0 194.249 2.983 10 0 AFAERN CCCCCOC[C@@H](O)C(C)(C)C 44236138 573893765 /nfs/dbraw/zinc/89/37/65/573893765.db2.gz VRGHLIKADIAAIO-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@H](O)[C@H](C)Oc1ccccc1C 44212154 573893804 /nfs/dbraw/zinc/89/38/04/573893804.db2.gz ZRCZQSORMRNVOT-QWRGUYRKSA-N 0 0 194.274 2.533 10 0 AFAERN CC1(C)SCc2ccccc2[C@@H]1O 125392490 573894960 /nfs/dbraw/zinc/89/49/60/573894960.db2.gz LYNANQSUFLRAHG-JTQLQIEISA-N 0 0 194.299 2.745 10 0 AFAERN CCOCc1cc2cccc(O)c2o1 257901921 573894986 /nfs/dbraw/zinc/89/49/86/573894986.db2.gz OGFUKTOYNRDMSK-UHFFFAOYSA-N 0 0 192.214 2.675 10 0 AFAERN CC[NH2+][C@@H](c1ncccc1F)C(C)C 131603399 573895029 /nfs/dbraw/zinc/89/50/29/573895029.db2.gz AVMICBMCMBEMNJ-SNVBAGLBSA-N 0 0 196.269 2.527 10 0 AFAERN CC1([C@@](C)(O)Cc2cccs2)CC1 87365438 573895069 /nfs/dbraw/zinc/89/50/69/573895069.db2.gz CKXHBGGUSCAPLA-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CC[NH2+][C@H](c1ncccc1F)C(C)C 131603604 573895784 /nfs/dbraw/zinc/89/57/84/573895784.db2.gz AVMICBMCMBEMNJ-JTQLQIEISA-N 0 0 196.269 2.527 10 0 AFAERN CC(=O)[C@@H]1CC=C[C@H]2CCC[C@@H]21 238174735 573895159 /nfs/dbraw/zinc/89/51/59/573895159.db2.gz VJSBQUFISVTOIP-DCAQKATOSA-N 0 0 164.248 2.568 10 0 AFAERN CC1=N[C@H](C(C)(C)C)NC(C)(C)C1 238174297 573895185 /nfs/dbraw/zinc/89/51/85/573895185.db2.gz MRZAKFQICKHDPJ-VIFPVBQESA-N 0 0 182.311 2.591 10 0 AFAERN COC(C)(C)/C(Cl)=C\Cl 215502837 573895250 /nfs/dbraw/zinc/89/52/50/573895250.db2.gz GHOFMFMCEXIAMJ-SNAWJCMRSA-N 0 0 169.051 2.730 10 0 AFAERN O=C1CC[C@@H](Cc2ccc(F)cc2)C1 80383864 573895274 /nfs/dbraw/zinc/89/52/74/573895274.db2.gz IGLUIMOAJQUYBD-JTQLQIEISA-N 0 0 192.233 2.737 10 0 AFAERN CC1=CCc2ccccc2[C@H](O)C1 238175210 573895360 /nfs/dbraw/zinc/89/53/60/573895360.db2.gz HFBONBORWKSYBZ-GFCCVEGCSA-N 0 0 174.243 2.613 10 0 AFAERN CC1(C)C=C[C@]2(C)C(=O)CC[C@@H]12 238174191 573895381 /nfs/dbraw/zinc/89/53/81/573895381.db2.gz HPSIMPAZMJPTEI-KWQFWETISA-N 0 0 164.248 2.568 10 0 AFAERN CC1=CC[C@]2(C)C(=O)CCC=C2O1 238174394 573895417 /nfs/dbraw/zinc/89/54/17/573895417.db2.gz GPVTZTKTSWZVQR-LLVKDONJSA-N 0 0 178.231 2.564 10 0 AFAERN CC(C)Oc1ccc2ocnc2c1 238174269 573895540 /nfs/dbraw/zinc/89/55/40/573895540.db2.gz XETAAAKVNNRTHC-UHFFFAOYSA-N 0 0 177.203 2.615 10 0 AFAERN CC(C)[C@H]1C(=O)C[C@@H](C)C[C@@H]1C 238174337 573895625 /nfs/dbraw/zinc/89/56/25/573895625.db2.gz UDXHDVLMUTYBOB-ATZCPNFKSA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C)C=C[C@@]2(C)C(=O)CC[C@H]12 238174583 573895734 /nfs/dbraw/zinc/89/57/34/573895734.db2.gz HPSIMPAZMJPTEI-LDYMZIIASA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)[C@@H]1CCC[C@@H]2CCC[C@@H]21 238175090 573895753 /nfs/dbraw/zinc/89/57/53/573895753.db2.gz PWPLHSBCSVAHAU-VWYCJHECSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1C=CC[C@H]2CCCC(=O)[C@H]12 102298730 573895809 /nfs/dbraw/zinc/89/58/09/573895809.db2.gz BTCZYJPSPRMTAM-WCABBAIRSA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)C=C[C@]2(C)C(=O)CC[C@H]12 238174141 573895811 /nfs/dbraw/zinc/89/58/11/573895811.db2.gz HPSIMPAZMJPTEI-KCJUWKMLSA-N 0 0 164.248 2.568 10 0 AFAERN CCC(C)(C)[C@H](CC1CCCC1)NN 131621520 573896703 /nfs/dbraw/zinc/89/67/03/573896703.db2.gz BGDHIGGJSBOMFA-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN CC(C)[C@H]1C(=O)C(C)(C)[C@@H]1C 238174099 573896717 /nfs/dbraw/zinc/89/67/17/573896717.db2.gz RFPOJMWVGBFTHI-HTQZYQBOSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1ccc2nc(Cl)cnc2c1C 145029378 573896741 /nfs/dbraw/zinc/89/67/41/573896741.db2.gz MCZBPTGSXQAOQS-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN Cc1cc(-c2ccccc2)cc(CO)n1 215492777 573896774 /nfs/dbraw/zinc/89/67/74/573896774.db2.gz NEVPHAJCIKGZMZ-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN CC(C)=Cc1sccc1N 238174847 573896776 /nfs/dbraw/zinc/89/67/76/573896776.db2.gz AZEOBKXFDOYFAA-UHFFFAOYSA-N 0 0 153.250 2.754 10 0 AFAERN CCC[C@H](C)[C@@H](CC1CCCC1)NN 131594250 573896028 /nfs/dbraw/zinc/89/60/28/573896028.db2.gz BUCWWLLUFHYSHN-CMPLNLGQSA-N 0 0 198.354 2.835 10 0 AFAERN CC1(C)N=Nc2ccccc2N1 238174595 573896032 /nfs/dbraw/zinc/89/60/32/573896032.db2.gz YXYMXJDJZNDJHO-UHFFFAOYSA-N 0 0 161.208 2.932 10 0 AFAERN CCCCCc1cccc(F)n1 215592987 573896064 /nfs/dbraw/zinc/89/60/64/573896064.db2.gz FVIGBNBTLDTMQE-UHFFFAOYSA-N 0 0 167.227 2.953 10 0 AFAERN Cc1cnc(NC2CCCCC2)o1 76604210 573896082 /nfs/dbraw/zinc/89/60/82/573896082.db2.gz ZXSKZCYIHVVITN-UHFFFAOYSA-N 0 0 180.251 2.728 10 0 AFAERN CC(C)=Cc1ccc(Cl)nc1N 238174126 573896102 /nfs/dbraw/zinc/89/61/02/573896102.db2.gz AIIMUVAKWRTCKO-UHFFFAOYSA-N 0 0 182.654 2.740 10 0 AFAERN CC(C)[C@H]1C(=O)C[C@H](C)C[C@@H]1C 238174282 573896147 /nfs/dbraw/zinc/89/61/47/573896147.db2.gz UDXHDVLMUTYBOB-WCABBAIRSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)c1nc(N)oc1C(C)(C)C 258992882 573896249 /nfs/dbraw/zinc/89/62/49/573896249.db2.gz AUGIHBGGOCKBSP-UHFFFAOYSA-N 0 0 182.267 2.678 10 0 AFAERN CC(=O)CNc1ccc(C)c(C)c1C 258988648 573896270 /nfs/dbraw/zinc/89/62/70/573896270.db2.gz XDFZIDJTQSAKRM-UHFFFAOYSA-N 0 0 191.274 2.613 10 0 AFAERN CCCC[C@@](C)(O)C1(C)CC1 87365408 573896302 /nfs/dbraw/zinc/89/63/02/573896302.db2.gz VUFXDAXFWNKBNV-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CC1=CCc2cc(C)cc(O)c2O1 238175049 573896350 /nfs/dbraw/zinc/89/63/50/573896350.db2.gz IKJLOCBMTNATCP-UHFFFAOYSA-N 0 0 176.215 2.539 10 0 AFAERN FC(F)(F)c1cccc2c1N[C@H]1C[C@@H]21 257902436 573896371 /nfs/dbraw/zinc/89/63/71/573896371.db2.gz KSHYLYYQLSVIEY-XPUUQOCRSA-N 0 0 199.175 2.987 10 0 AFAERN CC1=CCc2ccccc2[C@@H](O)C1 238175180 573896423 /nfs/dbraw/zinc/89/64/23/573896423.db2.gz HFBONBORWKSYBZ-LBPRGKRZSA-N 0 0 174.243 2.613 10 0 AFAERN Cc1coc(NC2CCCCC2)n1 76604214 573896511 /nfs/dbraw/zinc/89/65/11/573896511.db2.gz LXRUUQGWBOVGTP-UHFFFAOYSA-N 0 0 180.251 2.728 10 0 AFAERN CC(C)=Cc1ccccc1CCO 238174279 573896537 /nfs/dbraw/zinc/89/65/37/573896537.db2.gz WDJYMGHQRCEQKJ-UHFFFAOYSA-N 0 0 176.259 2.645 10 0 AFAERN CCC[C@H](C)[C@H](CC1CCCC1)NN 131594670 573896593 /nfs/dbraw/zinc/89/65/93/573896593.db2.gz BUCWWLLUFHYSHN-JQWIXIFHSA-N 0 0 198.354 2.835 10 0 AFAERN Cn1cc(N)cc1C1CCCCC1 76602899 573896615 /nfs/dbraw/zinc/89/66/15/573896615.db2.gz ZHCJOMCABXTKCJ-UHFFFAOYSA-N 0 0 178.279 2.655 10 0 AFAERN CCC/C=C(/C)C[C@H]1CCOC1=O 215010994 573896630 /nfs/dbraw/zinc/89/66/30/573896630.db2.gz QMBLRYZRYCCXRV-HYHWUIIZSA-N 0 0 182.263 2.686 10 0 AFAERN CC[C@@H](C)[C@](C)(O)C1(C)CC1 87365555 573897761 /nfs/dbraw/zinc/89/77/61/573897761.db2.gz CIZYHAWBPSGPMW-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CCSCc1ccc(OC)cc1O 258176008 573897807 /nfs/dbraw/zinc/89/78/07/573897807.db2.gz RYRBIIFKMMOYJK-UHFFFAOYSA-N 0 0 198.287 2.654 10 0 AFAERN O=C(CCOC1CC1)C1CCCCC1 716832837 573897811 /nfs/dbraw/zinc/89/78/11/573897811.db2.gz KQFMEMFZJXHYES-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN CC1([C@@](C)(O)c2ccccc2F)CC1 87365892 573897863 /nfs/dbraw/zinc/89/78/63/573897863.db2.gz BWSFPKSESFNJEC-LBPRGKRZSA-N 0 0 194.249 2.833 10 0 AFAERN c1ncc(NC2CCCCCC2)o1 76604196 573897896 /nfs/dbraw/zinc/89/78/96/573897896.db2.gz QURHGILVLHPZDL-UHFFFAOYSA-N 0 0 180.251 2.809 10 0 AFAERN CCc1c(C)cccc1OC 80438317 573897909 /nfs/dbraw/zinc/89/79/09/573897909.db2.gz RLQXVSNGMNLNLE-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN Cc1coc2ccc([C@H](C)O)cc12 257902035 573897911 /nfs/dbraw/zinc/89/79/11/573897911.db2.gz AQIHOGXYRHJJHP-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN CC(C)=C[C@](C)(O)C1(C)CC1 87365755 573897932 /nfs/dbraw/zinc/89/79/32/573897932.db2.gz BOCKWXDTOPYRJN-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN CCC/C=C(/C)C[C@@H]1CCOC1=O 215010941 573898010 /nfs/dbraw/zinc/89/80/10/573898010.db2.gz QMBLRYZRYCCXRV-BSKOKIOFSA-N 0 0 182.263 2.686 10 0 AFAERN Cc1cc(C)c(Br)o1 76600601 573898047 /nfs/dbraw/zinc/89/80/47/573898047.db2.gz FZZALOJDZPFCNY-UHFFFAOYSA-N 0 0 175.025 2.659 10 0 AFAERN CC(=O)[C@H]1CC=C(OC2CCC2)CC1 238174766 573898052 /nfs/dbraw/zinc/89/80/52/573898052.db2.gz PLJKULCCBIIWJZ-JTQLQIEISA-N 0 0 194.274 2.829 10 0 AFAERN CCn1ccnc1Oc1ccccc1 257901955 573898147 /nfs/dbraw/zinc/89/81/47/573898147.db2.gz OGYLQEOPZMJMKI-UHFFFAOYSA-N 0 0 188.230 2.695 10 0 AFAERN CC1([C@@](C)(O)C2CCCC2)CC1 87366165 573898191 /nfs/dbraw/zinc/89/81/91/573898191.db2.gz LMDPIHHFQTWKOP-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc(N)cc1OC/C=C/Cl 235766096 573898252 /nfs/dbraw/zinc/89/82/52/573898252.db2.gz YVNBJGOGIRVLNF-GORDUTHDSA-N 0 0 197.665 2.709 10 0 AFAERN CCC(CC)c1c(C=O)ccn1C 76603404 573898300 /nfs/dbraw/zinc/89/83/00/573898300.db2.gz XDIWXIZJHFYCNE-UHFFFAOYSA-N 0 0 179.263 2.741 10 0 AFAERN Cc1cccc(CC2CC2)c1N 258443267 573898318 /nfs/dbraw/zinc/89/83/18/573898318.db2.gz FFDIGLLWHFLABJ-UHFFFAOYSA-N 0 0 161.248 2.530 10 0 AFAERN CC(C)Cc1ccc(N(C)C#N)cc1 259224704 573898325 /nfs/dbraw/zinc/89/83/25/573898325.db2.gz BAMFTHCCEGUAFL-UHFFFAOYSA-N 0 0 188.274 2.802 10 0 AFAERN FC(F)(F)c1cccc2c1N[C@@H]1C[C@H]21 257902431 573898374 /nfs/dbraw/zinc/89/83/74/573898374.db2.gz KSHYLYYQLSVIEY-HTRCEHHLSA-N 0 0 199.175 2.987 10 0 AFAERN CC1([C@](C)(O)C2CCCC2)CC1 87366163 573898412 /nfs/dbraw/zinc/89/84/12/573898412.db2.gz LMDPIHHFQTWKOP-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)C[C@@H]1CCC[C@@H](O)C1 80476322 573898463 /nfs/dbraw/zinc/89/84/63/573898463.db2.gz LYHIQWAZIHHKEN-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN COc1ccc(F)cc1C(C)(F)F 258990672 573898481 /nfs/dbraw/zinc/89/84/81/573898481.db2.gz LCLNOTXPKXNZNU-UHFFFAOYSA-N 0 0 190.164 2.946 10 0 AFAERN Cc1cc(NC2CCCCC2)no1 76604202 573898492 /nfs/dbraw/zinc/89/84/92/573898492.db2.gz QFRSQPSMPPTWRI-UHFFFAOYSA-N 0 0 180.251 2.728 10 0 AFAERN CC1(C)CNc2ccc(F)cc2OC1 259226809 573898558 /nfs/dbraw/zinc/89/85/58/573898558.db2.gz MFAOOBDRTAUPEB-UHFFFAOYSA-N 0 0 195.237 2.656 10 0 AFAERN CC1([C@](C)(O)c2ccsc2)CC1 87366092 573898561 /nfs/dbraw/zinc/89/85/61/573898561.db2.gz LIEHIPOTMMVHPJ-SNVBAGLBSA-N 0 0 182.288 2.756 10 0 AFAERN Cc1nc2cc(OC(C)C)ccc2o1 238174198 573897744 /nfs/dbraw/zinc/89/77/44/573897744.db2.gz PDNCQYDYUYHIOV-UHFFFAOYSA-N 0 0 191.230 2.923 10 0 AFAERN CC[C@@H](C)[C@H](C)C(=O)CCOC1CC1 716831911 573900985 /nfs/dbraw/zinc/90/09/85/573900985.db2.gz CZRDEEKUNCMRIA-ZJUUUORDSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)c1coc2ccc(N)nc12 238175552 573900299 /nfs/dbraw/zinc/90/02/99/573900299.db2.gz DKSAHZQQHIZTHE-UHFFFAOYSA-N 0 0 176.219 2.533 10 0 AFAERN Cc1c(N)n[nH]c1C1(C)CCCCC1 235763667 573900427 /nfs/dbraw/zinc/90/04/27/573900427.db2.gz JCJSLQOTYGGFJK-UHFFFAOYSA-N 0 0 193.294 2.522 10 0 AFAERN CN(C)c1cc(Cl)ccc1F 259231139 573900449 /nfs/dbraw/zinc/90/04/49/573900449.db2.gz BLUDZPLWBQNLOH-UHFFFAOYSA-N 0 0 173.618 2.545 10 0 AFAERN CC(C)C[C@](C)(O)C1(C)CC1 87365862 573900475 /nfs/dbraw/zinc/90/04/75/573900475.db2.gz KIVSGMFUYLAKDS-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN Cc1nc(-c2sccc2C)c[nH]1 259226384 573900523 /nfs/dbraw/zinc/90/05/23/573900523.db2.gz ZVWSUTVZVNAHMT-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN CC(=O)c1ccc(N(C)CC(C)C)o1 131535781 573900524 /nfs/dbraw/zinc/90/05/24/573900524.db2.gz PHYKDKZJTOJKCW-UHFFFAOYSA-N 0 0 195.262 2.574 10 0 AFAERN Nc1ccc([C@@H]2CCCCO2)cc1 257902699 573900534 /nfs/dbraw/zinc/90/05/34/573900534.db2.gz PCMXHFLMBJKAMR-NSHDSACASA-N 0 0 177.247 2.510 10 0 AFAERN CCc1ccc(S[C@@H](C)CO)cc1 258991996 573900558 /nfs/dbraw/zinc/90/05/58/573900558.db2.gz GAPHQBKTAJBJRP-VIFPVBQESA-N 0 0 196.315 2.722 10 0 AFAERN CC(=O)Nc1ccccc1CC(C)C 238175707 573900625 /nfs/dbraw/zinc/90/06/25/573900625.db2.gz GQBYPDBYTABVIQ-UHFFFAOYSA-N 0 0 191.274 2.844 10 0 AFAERN CC1([C@@](C)(O)Cc2ccccc2)CC1 87365707 573900644 /nfs/dbraw/zinc/90/06/44/573900644.db2.gz SGNIOPBKCPFYJE-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN Cc1cc(C(C)(C)C)c(O)c(C)c1N 84454373 573900648 /nfs/dbraw/zinc/90/06/48/573900648.db2.gz LVVHHYAHABTGOV-UHFFFAOYSA-N 0 0 193.290 2.889 10 0 AFAERN Cc1ccc(SCCO)c(C)c1C 258992182 573900654 /nfs/dbraw/zinc/90/06/54/573900654.db2.gz GCYJSOIDAPFSBP-UHFFFAOYSA-N 0 0 196.315 2.696 10 0 AFAERN CC(C)(C)CC[C@@](C)(O)C1=CCCO1 308461124 573900786 /nfs/dbraw/zinc/90/07/86/573900786.db2.gz GFILBSYGDRWSCP-GFCCVEGCSA-N 0 0 198.306 2.868 10 0 AFAERN CCc1ccc(S[C@H](C)CO)cc1 258991994 573900814 /nfs/dbraw/zinc/90/08/14/573900814.db2.gz GAPHQBKTAJBJRP-SECBINFHSA-N 0 0 196.315 2.722 10 0 AFAERN Cn1ccc(-c2ccc3c(c2)CCN3)c1 238540866 573900834 /nfs/dbraw/zinc/90/08/34/573900834.db2.gz OVSHCHIWXRDFJG-UHFFFAOYSA-N 0 0 198.269 2.660 10 0 AFAERN CCCCN(C)c1ccc(C(C)=O)o1 131529868 573900840 /nfs/dbraw/zinc/90/08/40/573900840.db2.gz QOCHDJKVZJDBBS-UHFFFAOYSA-N 0 0 195.262 2.719 10 0 AFAERN CC(C)CNc1cc(C2(C)CC2)[nH]n1 87367528 573900901 /nfs/dbraw/zinc/90/09/01/573900901.db2.gz FJAWEMCYBBNEFL-UHFFFAOYSA-N 0 0 193.294 2.529 10 0 AFAERN CC[C@H](C)[C@](C)(O)C1(C)CC1 87365556 573900907 /nfs/dbraw/zinc/90/09/07/573900907.db2.gz CIZYHAWBPSGPMW-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](C)N(C)c1ccc(C(C)=O)o1 131536013 573900947 /nfs/dbraw/zinc/90/09/47/573900947.db2.gz YOKUPXMAEQULAN-MRVPVSSYSA-N 0 0 195.262 2.717 10 0 AFAERN CCCN(CC)c1ccc(C(C)=O)o1 131534916 573900964 /nfs/dbraw/zinc/90/09/64/573900964.db2.gz FZPWFMZRGCAERI-UHFFFAOYSA-N 0 0 195.262 2.719 10 0 AFAERN CC[C@H](Cc1ccccc1)[C@H](C)O 44469715 573900977 /nfs/dbraw/zinc/90/09/77/573900977.db2.gz VQIIOVRPLODBPE-CMPLNLGQSA-N 0 0 178.275 2.636 10 0 AFAERN O=Cc1cccn1CCCCC1CC1 716359586 573901841 /nfs/dbraw/zinc/90/18/41/573901841.db2.gz IJKKOTZGTJNZET-UHFFFAOYSA-N 0 0 191.274 2.881 10 0 AFAERN Cc1nc(Cn2cccc2)sc1C 87397320 573901870 /nfs/dbraw/zinc/90/18/70/573901870.db2.gz GHKPJSXFWWLJOH-UHFFFAOYSA-N 0 0 192.287 2.610 10 0 AFAERN CCCC/C=C(/CC)[C@@H](C)O 238189498 573901892 /nfs/dbraw/zinc/90/18/92/573901892.db2.gz FGDZPZMKGVKTSV-URLRMUCDSA-N 0 0 156.269 2.894 10 0 AFAERN Cc1c(O)cnc2c(Cl)cccc12 257902841 573901991 /nfs/dbraw/zinc/90/19/91/573901991.db2.gz YZLAMRUIHUCGAG-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CC[C@@H]1CC[C@@H]2CCCC[C@]21CO 251813487 573902126 /nfs/dbraw/zinc/90/21/26/573902126.db2.gz ZBLJSVMYWUJABA-GRYCIOLGSA-N 0 0 182.307 2.975 10 0 AFAERN CCC(CC)[C@@H](CC1CCCC1)NN 131545570 573902616 /nfs/dbraw/zinc/90/26/16/573902616.db2.gz GTALPGPGTNEJNS-GFCCVEGCSA-N 0 0 198.354 2.835 10 0 AFAERN CC(C)Cc1cnc(Cl)c(N)c1 257902683 573902174 /nfs/dbraw/zinc/90/21/74/573902174.db2.gz PBHKQZIRDRHGGT-UHFFFAOYSA-N 0 0 184.670 2.516 10 0 AFAERN CC(=O)[C@@H]1CC[C@H]2CCC[C@@H]2C1 238175534 573902267 /nfs/dbraw/zinc/90/22/67/573902267.db2.gz JQBIELMNLBOINT-GMTAPVOTSA-N 0 0 166.264 2.792 10 0 AFAERN CNc1cccc(Cc2cc[nH]c2)c1 259229512 573902268 /nfs/dbraw/zinc/90/22/68/573902268.db2.gz UYPLDQCPHRQKCN-UHFFFAOYSA-N 0 0 186.258 2.647 10 0 AFAERN CC(C)(c1cccc(N)c1)C(F)F 257902672 573902277 /nfs/dbraw/zinc/90/22/77/573902277.db2.gz PAIWBFXBICEMQY-UHFFFAOYSA-N 0 0 185.217 2.812 10 0 AFAERN CC(C)C(=O)C[C@@H]1CC=CCC1 238190816 573902312 /nfs/dbraw/zinc/90/23/12/573902312.db2.gz IIGWNWPXRWYCCA-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@@H](Cc1ccccc1)[C@@H](C)O 44469706 573902392 /nfs/dbraw/zinc/90/23/92/573902392.db2.gz VQIIOVRPLODBPE-PWSUYJOCSA-N 0 0 178.275 2.636 10 0 AFAERN CC[C@@H](CC1CC1)NC(=O)OC(C)C 127431218 573902437 /nfs/dbraw/zinc/90/24/37/573902437.db2.gz UODAYLOBVVIGRW-JTQLQIEISA-N 0 0 199.294 2.700 10 0 AFAERN CCC(C)(C)[C@@H]1C[C@H](C)C1=O 238192473 573904205 /nfs/dbraw/zinc/90/42/05/573904205.db2.gz FJXCQLROJFIVIK-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CC1(C)C(=O)Cc2c(Cl)cccc21 238192220 573904213 /nfs/dbraw/zinc/90/42/13/573904213.db2.gz SZFSHDGJYQAHFO-UHFFFAOYSA-N 0 0 194.661 2.743 10 0 AFAERN CCC(=O)C1(Cl)CCCCC1 238191377 573904275 /nfs/dbraw/zinc/90/42/75/573904275.db2.gz POBYHWNSZXFWJU-UHFFFAOYSA-N 0 0 174.671 2.907 10 0 AFAERN CN[C@H](C)C(F)(F)CCC(C)C 257903784 573904376 /nfs/dbraw/zinc/90/43/76/573904376.db2.gz PHUSBMAVRITNEK-MRVPVSSYSA-N 0 0 179.254 2.666 10 0 AFAERN CC1(C)CC=C[C@@H]2[C@H](C1=O)C2(C)C 238192054 573904388 /nfs/dbraw/zinc/90/43/88/573904388.db2.gz DABINSYMTFGOFU-RKDXNWHRSA-N 0 0 178.275 2.814 10 0 AFAERN CO[C@H]1Cc2cc(Cl)ccc21 258450238 573904519 /nfs/dbraw/zinc/90/45/19/573904519.db2.gz FVIXTAVSPKSHPG-VIFPVBQESA-N 0 0 168.623 2.584 10 0 AFAERN Cc1cccc(OCc2cnco2)c1 258178880 573904538 /nfs/dbraw/zinc/90/45/38/573904538.db2.gz MVIBOMGKFXMQEO-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN CN[C@@H](C)C(F)(F)CCC(C)C 257903788 573904591 /nfs/dbraw/zinc/90/45/91/573904591.db2.gz PHUSBMAVRITNEK-QMMMGPOBSA-N 0 0 179.254 2.666 10 0 AFAERN COc1ccc(C(C)C)cc1N(C)C 259230938 573904643 /nfs/dbraw/zinc/90/46/43/573904643.db2.gz BKWFVADQSMQDHX-UHFFFAOYSA-N 0 0 193.290 2.885 10 0 AFAERN CCC(CC)[C@H](CC1CCCC1)NN 131545783 573904650 /nfs/dbraw/zinc/90/46/50/573904650.db2.gz GTALPGPGTNEJNS-LBPRGKRZSA-N 0 0 198.354 2.835 10 0 AFAERN CC(C)=C[C@@H]1C[C@@H](C)CCC1=O 80631435 573904676 /nfs/dbraw/zinc/90/46/76/573904676.db2.gz WXFNQQGYFSXMDY-VHSXEESVSA-N 0 0 166.264 2.958 10 0 AFAERN OC[C@@H]1[C@H]2c3cccc4cccc(c34)[C@H]21 308779859 573904791 /nfs/dbraw/zinc/90/47/91/573904791.db2.gz RIFPLUHQZZIZHQ-DEZZGGKRSA-N 0 0 196.249 2.643 10 0 AFAERN CC(C)n1nc(C=O)cc1C1CCC1 257896062 573904803 /nfs/dbraw/zinc/90/48/03/573904803.db2.gz XYFJYHIGMFNINY-UHFFFAOYSA-N 0 0 192.262 2.544 10 0 AFAERN CC1=CC(=O)[C@H](c2ccccc2)N1 238192402 573904821 /nfs/dbraw/zinc/90/48/21/573904821.db2.gz ZLKNQGDMNPJVSB-NSHDSACASA-N 0 0 173.215 2.644 10 0 AFAERN CC(=O)[C@H](C)Cc1nc(C)c(C)s1 87392046 573904822 /nfs/dbraw/zinc/90/48/22/573904822.db2.gz PVTCABPFEAVERE-ZCFIWIBFSA-N 0 0 197.303 2.528 10 0 AFAERN Cc1cc(N)cc2onc(C(C)C)c12 238191410 573904852 /nfs/dbraw/zinc/90/48/52/573904852.db2.gz AAZFHAOIZAHOLQ-UHFFFAOYSA-N 0 0 190.246 2.842 10 0 AFAERN CC(C)c1noc2cc(Cl)ncc12 238191359 573904924 /nfs/dbraw/zinc/90/49/24/573904924.db2.gz LDVHDZDSFHSNJG-UHFFFAOYSA-N 0 0 196.637 3.000 10 0 AFAERN CC1=NO[C@](C)(Nc2ccccc2)C1 238191828 573906100 /nfs/dbraw/zinc/90/61/00/573906100.db2.gz IAAKALGXIPLYQO-NSHDSACASA-N 0 0 190.246 2.611 10 0 AFAERN CC1(C)C(=O)Cc2cc(Cl)ccc21 238192438 573906121 /nfs/dbraw/zinc/90/61/21/573906121.db2.gz AGKJTFSOBIBRHV-UHFFFAOYSA-N 0 0 194.661 2.743 10 0 AFAERN CC(C)[C@H]1CC[C@]2(C)C[C@@H]2C1=O 238192166 573906127 /nfs/dbraw/zinc/90/61/27/573906127.db2.gz AZTRCUMYNCSWBP-FXPVBKGRSA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@@H]1CC(=O)C[C@@H](CC)S1 222785360 573906173 /nfs/dbraw/zinc/90/61/73/573906173.db2.gz FQHXTQIYKLHIID-RKDXNWHRSA-N 0 0 172.293 2.640 10 0 AFAERN CCCCCC[C@@H](C)OC[C@H](C)O 44473721 573906905 /nfs/dbraw/zinc/90/69/05/573906905.db2.gz UJUHXMYIUQEYJQ-WDEREUQCSA-N 0 0 188.311 2.743 10 0 AFAERN OCC/C=C\c1ccc2ncccc2c1 308779840 573906245 /nfs/dbraw/zinc/90/62/45/573906245.db2.gz PIGKFAXZIOXNTA-RJRFIUFISA-N 0 0 199.253 2.630 10 0 AFAERN CO[C@@H]1Cc2cc(Cl)ccc21 258450237 573906910 /nfs/dbraw/zinc/90/69/10/573906910.db2.gz FVIXTAVSPKSHPG-SECBINFHSA-N 0 0 168.623 2.584 10 0 AFAERN CCCCCC[C@H](C)OC[C@H](C)O 44473724 573906302 /nfs/dbraw/zinc/90/63/02/573906302.db2.gz UJUHXMYIUQEYJQ-QWRGUYRKSA-N 0 0 188.311 2.743 10 0 AFAERN CCCCCC[C@@H](C)OC[C@@H](C)O 44473715 573906334 /nfs/dbraw/zinc/90/63/34/573906334.db2.gz UJUHXMYIUQEYJQ-GHMZBOCLSA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)=C[C@H]1C[C@@H](C)CCC1=O 80631449 573906355 /nfs/dbraw/zinc/90/63/55/573906355.db2.gz WXFNQQGYFSXMDY-UWVGGRQHSA-N 0 0 166.264 2.958 10 0 AFAERN C[C@H](O)c1cccc(-c2ccccn2)c1 308779504 573906365 /nfs/dbraw/zinc/90/63/65/573906365.db2.gz MWRNIWORWDLUEL-JTQLQIEISA-N 0 0 199.253 2.802 10 0 AFAERN CC1(C)CCO[C@@H](c2ccccc2)O1 45817339 573906421 /nfs/dbraw/zinc/90/64/21/573906421.db2.gz QHRRJVRLIXTKIU-LLVKDONJSA-N 0 0 192.258 2.901 10 0 AFAERN CC(C)=C[C@@H]1C[C@H](C)CCC1=O 80631431 573906440 /nfs/dbraw/zinc/90/64/40/573906440.db2.gz WXFNQQGYFSXMDY-NXEZZACHSA-N 0 0 166.264 2.958 10 0 AFAERN C[C@](N)(F)C1CCCCCC1 258451696 573906502 /nfs/dbraw/zinc/90/65/02/573906502.db2.gz GAWMAOMZEPPNBC-SECBINFHSA-N 0 0 159.248 2.601 10 0 AFAERN CCCCCNC(=O)C(F)=C(C)C 308461629 573906556 /nfs/dbraw/zinc/90/65/56/573906556.db2.gz HROSDCHKFRXJHS-UHFFFAOYSA-N 0 0 187.258 2.556 10 0 AFAERN CC(C)c1c[nH]c2c1C(=O)CCC2 238195042 573906603 /nfs/dbraw/zinc/90/66/03/573906603.db2.gz WYAOJRQTQZLYOV-UHFFFAOYSA-N 0 0 177.247 2.657 10 0 AFAERN CC(C)[C@H](O)C[C@@H]1CC=CCC1 402166120 573906619 /nfs/dbraw/zinc/90/66/19/573906619.db2.gz UTNMHCAOZNFPMO-GHMZBOCLSA-N 0 0 168.280 2.750 10 0 AFAERN CCCCCC[C@H](C)OC[C@@H](C)O 44473718 573906645 /nfs/dbraw/zinc/90/66/45/573906645.db2.gz UJUHXMYIUQEYJQ-MNOVXSKESA-N 0 0 188.311 2.743 10 0 AFAERN CCC(C)(C)[C@H]1C[C@H](C)C1=O 238194917 573906655 /nfs/dbraw/zinc/90/66/55/573906655.db2.gz FJXCQLROJFIVIK-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1c2ccccc2NC1(C)C 258178883 573906662 /nfs/dbraw/zinc/90/66/62/573906662.db2.gz MVNLIWAUKGTWPT-QMMMGPOBSA-N 0 0 161.248 2.994 10 0 AFAERN CCC[C@H](C)CC(=O)[C@@H](CC)OC 131701497 573906668 /nfs/dbraw/zinc/90/66/68/573906668.db2.gz RMXMNZLPUGWDQN-GXSJLCMTSA-N 0 0 186.295 2.807 10 0 AFAERN C[C@H]1CCCc2sc(N)cc21 102917422 573906708 /nfs/dbraw/zinc/90/67/08/573906708.db2.gz DHUQVRLGQKPEKO-LURJTMIESA-N 0 0 167.277 2.770 10 0 AFAERN C[C@@H]1c2ccccc2NC1(C)C 258178882 573906743 /nfs/dbraw/zinc/90/67/43/573906743.db2.gz MVNLIWAUKGTWPT-MRVPVSSYSA-N 0 0 161.248 2.994 10 0 AFAERN CC[C@H]1CC(=O)C[C@H](CC)S1 222785312 573906763 /nfs/dbraw/zinc/90/67/63/573906763.db2.gz FQHXTQIYKLHIID-IUCAKERBSA-N 0 0 172.293 2.640 10 0 AFAERN CCc1c(C)[nH]c2c1CCCC2 80642179 573906800 /nfs/dbraw/zinc/90/68/00/573906800.db2.gz OZAPMQZAZWSPIA-UHFFFAOYSA-N 0 0 163.264 2.764 10 0 AFAERN CCCCC(=O)c1cncs1 80639900 573906838 /nfs/dbraw/zinc/90/68/38/573906838.db2.gz GEDZJMOBUXSWEM-UHFFFAOYSA-N 0 0 169.249 2.516 10 0 AFAERN CCC1(CC)Nc2ccccc2P1 238195470 573906875 /nfs/dbraw/zinc/90/68/75/573906875.db2.gz QMGOZERLKYIONB-UHFFFAOYSA-N 0 0 193.230 2.932 10 0 AFAERN CCc1cc(N)c(C)c(CC)c1 258451763 573906889 /nfs/dbraw/zinc/90/68/89/573906889.db2.gz GCDOMIMABUIBDL-UHFFFAOYSA-N 0 0 163.264 2.702 10 0 AFAERN CC1=N[C@H](c2ccc(O)cc2)SC1 238193673 573908322 /nfs/dbraw/zinc/90/83/22/573908322.db2.gz MZUBCRZEMPXUBJ-JTQLQIEISA-N 0 0 193.271 2.599 10 0 AFAERN CCCC/C=C1/[C@@H](C)CC[C@H]1O 238194524 573908381 /nfs/dbraw/zinc/90/83/81/573908381.db2.gz ZKXSBJGXJPCEKS-JAPXBJLTSA-N 0 0 168.280 2.894 10 0 AFAERN C/C=C(\C[Si](C)(C)C)[C@H](C)O 222599892 573908415 /nfs/dbraw/zinc/90/84/15/573908415.db2.gz WXPFVXCAWGTKMV-CYXIBPNKSA-N 0 0 172.344 2.652 10 0 AFAERN C[C@@](N)(F)C1CCCCCC1 258451700 573908443 /nfs/dbraw/zinc/90/84/43/573908443.db2.gz GAWMAOMZEPPNBC-VIFPVBQESA-N 0 0 159.248 2.601 10 0 AFAERN Cc1ccc(OC/C=C/Cl)c(N)c1 235792536 573908460 /nfs/dbraw/zinc/90/84/60/573908460.db2.gz ZUTORWWVTBHBNQ-GORDUTHDSA-N 0 0 197.665 2.709 10 0 AFAERN CC(C)[C@@H](O)C[C@H]1CC=CCC1 402166123 573908469 /nfs/dbraw/zinc/90/84/69/573908469.db2.gz UTNMHCAOZNFPMO-QWRGUYRKSA-N 0 0 168.280 2.750 10 0 AFAERN CC(/C=C\C(C)(C)C)=C/CO 393570174 573908489 /nfs/dbraw/zinc/90/84/89/573908489.db2.gz HEMZGVAHXOMRRP-BSIYMUDXSA-N 0 0 154.253 2.527 10 0 AFAERN CC(C)[C@H](O)C[C@H]1CC=CCC1 402166125 573908547 /nfs/dbraw/zinc/90/85/47/573908547.db2.gz UTNMHCAOZNFPMO-WDEREUQCSA-N 0 0 168.280 2.750 10 0 AFAERN CC1=[NH+][C@H](c2ccc(C)[nH]2)CC1 238193660 573908672 /nfs/dbraw/zinc/90/86/72/573908672.db2.gz XHLQPOUNWXBJLX-JTQLQIEISA-N 0 0 162.236 2.619 10 0 AFAERN CCC(CC)c1ccncc1N 238194279 573908714 /nfs/dbraw/zinc/90/87/14/573908714.db2.gz RXPGJXQJLWYNQO-UHFFFAOYSA-N 0 0 164.252 2.567 10 0 AFAERN Cc1ccsc1CC1(CO)CCC1 259234211 573908736 /nfs/dbraw/zinc/90/87/36/573908736.db2.gz VGHBXRJQLLLWQT-UHFFFAOYSA-N 0 0 196.315 2.762 10 0 AFAERN C/C(NC(=O)C(C)C)=C1/C=CCCC1 238193988 573908748 /nfs/dbraw/zinc/90/87/48/573908748.db2.gz VBIQWYNOPSVYPH-ZHACJKMWSA-N 0 0 193.290 2.773 10 0 AFAERN Cc1cccc([C@H](O)CC(C)C)c1N 257897079 573908807 /nfs/dbraw/zinc/90/88/07/573908807.db2.gz YEVNUSJYJAMNTC-LLVKDONJSA-N 0 0 193.290 2.657 10 0 AFAERN CCC(C)(C)[C@H]1CC[C@@H](O)C1 238194561 573908817 /nfs/dbraw/zinc/90/88/17/573908817.db2.gz MYLBXJSJCIUZTM-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN Oc1cccc(-c2ncc(Cl)o2)c1 258521223 573909085 /nfs/dbraw/zinc/90/90/85/573909085.db2.gz LQPNPGLFKQZHJU-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN CC(=O)c1ccnc(SC(C)C)c1 87400622 573909146 /nfs/dbraw/zinc/90/91/46/573909146.db2.gz AQYLLKBBFIUVHK-UHFFFAOYSA-N 0 0 195.287 2.785 10 0 AFAERN Cc1ccc(C)n1[C@@H]1CCO[C@@H](C)C1 235666475 573909204 /nfs/dbraw/zinc/90/92/04/573909204.db2.gz YJCUUIVKPZFRNT-NWDGAFQWSA-N 0 0 193.290 2.845 10 0 AFAERN C/C=C(\C)[C@@H](O)C(C)(C)CC 238193966 573909277 /nfs/dbraw/zinc/90/92/77/573909277.db2.gz GQIHVDZQZUJUNA-BNICOGTQSA-N 0 0 156.269 2.750 10 0 AFAERN OC1(CC[C@@H]2CCCS2)CCC1 257896219 573909955 /nfs/dbraw/zinc/90/99/55/573909955.db2.gz DABAGWWWNUOMEH-VIFPVBQESA-N 0 0 186.320 2.577 10 0 AFAERN CCCC(=O)CCCOC(C)C 44387143 573909961 /nfs/dbraw/zinc/90/99/61/573909961.db2.gz ITWDNXCSTAUDRU-UHFFFAOYSA-N 0 0 172.268 2.561 10 0 AFAERN Nc1c(Cl)[nH]c2c(F)cccc12 76629828 573910009 /nfs/dbraw/zinc/91/00/09/573910009.db2.gz ABEJGYJPLHWTLB-UHFFFAOYSA-N 0 0 184.601 2.543 10 0 AFAERN CC1=Nc2ccccc2[C@H](O)CC1 238195624 573910022 /nfs/dbraw/zinc/91/00/22/573910022.db2.gz DMMFJTJNZXGTBA-LLVKDONJSA-N 0 0 175.231 2.606 10 0 AFAERN Nc1c(Cl)[nH]c2cc(F)ccc12 76629820 573910040 /nfs/dbraw/zinc/91/00/40/573910040.db2.gz VDIDNUVMCMHWAH-UHFFFAOYSA-N 0 0 184.601 2.543 10 0 AFAERN C=COc1cccc(C)c1C 80816155 573910115 /nfs/dbraw/zinc/91/01/15/573910115.db2.gz GNYZSFNRLVEEIF-UHFFFAOYSA-N 0 0 148.205 2.826 10 0 AFAERN Cc1cc(Cl)cc2c1CC[C@@H]2O 235794815 573910128 /nfs/dbraw/zinc/91/01/28/573910128.db2.gz GZLRGXFFQWBARL-JTQLQIEISA-N 0 0 182.650 2.628 10 0 AFAERN CC(C)Sc1cc([C@@H](C)O)ccn1 87414657 573910204 /nfs/dbraw/zinc/91/02/04/573910204.db2.gz CUKLUVVOUGEEDK-MRVPVSSYSA-N 0 0 197.303 2.635 10 0 AFAERN CC[C@H](OC)C(=O)c1csc(C)c1 131715455 573910253 /nfs/dbraw/zinc/91/02/53/573910253.db2.gz YTUWUPZTXQDZJK-VIFPVBQESA-N 0 0 198.287 2.664 10 0 AFAERN CSC(=N)c1ccc(F)cc1F 259232789 573910281 /nfs/dbraw/zinc/91/02/81/573910281.db2.gz OXQYQBGPRIUODR-UHFFFAOYSA-N 0 0 187.214 2.653 10 0 AFAERN CC[C@H](OC)C(=O)C1CCC(C)CC1 131705083 573910301 /nfs/dbraw/zinc/91/03/01/573910301.db2.gz PLLXNQBYDUPJNO-ILDUYXDCSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ccc(N)c(OC/C=C/Cl)c1 235793475 573910312 /nfs/dbraw/zinc/91/03/12/573910312.db2.gz ANRKVFVBQXYNFP-GORDUTHDSA-N 0 0 197.665 2.709 10 0 AFAERN CC(/C=C/C(C)(C)C)=C\CO 393570175 573910317 /nfs/dbraw/zinc/91/03/17/573910317.db2.gz HEMZGVAHXOMRRP-PDTNFJSOSA-N 0 0 154.253 2.527 10 0 AFAERN Cc1ccc([C@H](O)CC(C)C)c(N)c1 257897073 573910755 /nfs/dbraw/zinc/91/07/55/573910755.db2.gz YETHEJOUFLZZRI-GFCCVEGCSA-N 0 0 193.290 2.657 10 0 AFAERN CC(C)[C@@H]1C(=O)C[C@@H](C)[C@@H]1C 238183953 573910765 /nfs/dbraw/zinc/91/07/65/573910765.db2.gz LAPLLOAQGLLMDQ-WEDXCCLWSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cccc([C@@H](O)CC(C)C)c1N 257897086 573910796 /nfs/dbraw/zinc/91/07/96/573910796.db2.gz YEVNUSJYJAMNTC-NSHDSACASA-N 0 0 193.290 2.657 10 0 AFAERN Cc1cc(C)c([C@@H](N)C(F)F)cc1C 235796214 573910804 /nfs/dbraw/zinc/91/08/04/573910804.db2.gz VRNQRUJLPPPVSU-SNVBAGLBSA-N 0 0 199.244 2.877 10 0 AFAERN Nc1cccc2[nH]c3c(c12)CCCC3 76631727 573910878 /nfs/dbraw/zinc/91/08/78/573910878.db2.gz XDZXNHILKYFOMQ-UHFFFAOYSA-N 0 0 186.258 2.629 10 0 AFAERN COCc1cn(C)c2cccc(C)c12 257897105 573910883 /nfs/dbraw/zinc/91/08/83/573910883.db2.gz NHZBIIAWFVFYSX-UHFFFAOYSA-N 0 0 189.258 2.633 10 0 AFAERN CCCCCC[C@@H](C)C(=O)NCC 308462363 573910932 /nfs/dbraw/zinc/91/09/32/573910932.db2.gz HYJSRRFMTBQZFZ-SNVBAGLBSA-N 0 0 185.311 2.729 10 0 AFAERN CC(C)[C@@H]1C(=O)C(C)(C)[C@@H]1C 238183555 573910941 /nfs/dbraw/zinc/91/09/41/573910941.db2.gz RFPOJMWVGBFTHI-SFYZADRCSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)Sc1cc([C@H](C)O)ccn1 87414658 573910994 /nfs/dbraw/zinc/91/09/94/573910994.db2.gz CUKLUVVOUGEEDK-QMMMGPOBSA-N 0 0 197.303 2.635 10 0 AFAERN CC1CC[C@H]2CC[C@@H](CC1)C2=O 238183135 573911009 /nfs/dbraw/zinc/91/10/09/573911009.db2.gz YPJZUTAHLYCBKW-PBINXNQUSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H](C)Oc1cccc(Cl)n1 84688961 573911090 /nfs/dbraw/zinc/91/10/90/573911090.db2.gz QGDNNBCLAJDHJX-SSDOTTSWSA-N 0 0 185.654 2.912 10 0 AFAERN CC(C)Cc1cn2c(n1)[C@@H](C)CCC2 258180127 573911188 /nfs/dbraw/zinc/91/11/88/573911188.db2.gz FCIRWOKNCBYICZ-JTQLQIEISA-N 0 0 192.306 2.979 10 0 AFAERN C/C(=C\CO)c1cnc2ccccc2c1 308780135 573911271 /nfs/dbraw/zinc/91/12/71/573911271.db2.gz DRRWMXDNMREXEU-UXBLZVDNSA-N 0 0 199.253 2.630 10 0 AFAERN Cc1ccc([C@H](C)F)cc1CCCO 258178991 573911290 /nfs/dbraw/zinc/91/12/90/573911290.db2.gz WJLJAEOKHJVXRZ-JTQLQIEISA-N 0 0 196.265 2.950 10 0 AFAERN CC1=CC(C)=C[C@H]2C(=O)CCC2=C1 238182932 573911324 /nfs/dbraw/zinc/91/13/24/573911324.db2.gz GCLZTXZGNMHFEY-LLVKDONJSA-N 0 0 174.243 2.798 10 0 AFAERN C=C=C(C)[C@@H](O)/C=C\c1ccccc1 215801568 573911338 /nfs/dbraw/zinc/91/13/38/573911338.db2.gz GKUGTBPGADAYMI-XPSMFNQNSA-N 0 0 186.254 2.792 10 0 AFAERN C/C(=C\[C@H](C)O)c1ccccc1C 388456855 573911364 /nfs/dbraw/zinc/91/13/64/573911364.db2.gz YRTICNWIYQWNGK-UQSGXBNBSA-N 0 0 176.259 2.779 10 0 AFAERN Cc1ccc(-c2cc(N)cn2C)cc1 76631752 573911411 /nfs/dbraw/zinc/91/14/11/573911411.db2.gz ZNWJZUMAKNYEQU-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN CCC[C@H](C)CC(=O)[C@H](CC)OC 131701906 573911449 /nfs/dbraw/zinc/91/14/49/573911449.db2.gz RMXMNZLPUGWDQN-ONGXEEELSA-N 0 0 186.295 2.807 10 0 AFAERN Cc1ccc([C@@H](O)CC(C)C)c(N)c1 257897076 573911453 /nfs/dbraw/zinc/91/14/53/573911453.db2.gz YETHEJOUFLZZRI-LBPRGKRZSA-N 0 0 193.290 2.657 10 0 AFAERN CC1(C)CC(=O)[C@@]2(C)CCC[C@H]12 238183292 573911460 /nfs/dbraw/zinc/91/14/60/573911460.db2.gz YTPAPKAYFGZYME-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN CSc1ccc(C(C)(C)O)cc1C 258179217 573911503 /nfs/dbraw/zinc/91/15/03/573911503.db2.gz WMPURXYFUPJDKX-UHFFFAOYSA-N 0 0 196.315 2.944 10 0 AFAERN CC(C)[C@@H]1CCc2cccc(O)c2N1 238183573 573911513 /nfs/dbraw/zinc/91/15/13/573911513.db2.gz IIWQJFXMBRKGPO-JTQLQIEISA-N 0 0 191.274 2.775 10 0 AFAERN C[C@H](CO)c1coc2cc(F)ccc12 257897914 573913477 /nfs/dbraw/zinc/91/34/77/573913477.db2.gz LZKYEBYBWBDEKE-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN CC(=O)[C@@]1(C)CCCC=C1C 238182958 573913538 /nfs/dbraw/zinc/91/35/38/573913538.db2.gz BYRCTWWTZUMVEJ-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN Cc1cccc(C)c1/C=C\[C@H](C)O 388450872 573913562 /nfs/dbraw/zinc/91/35/62/573913562.db2.gz PLFJWHCSRVICQA-TVRMLOFPSA-N 0 0 176.259 2.697 10 0 AFAERN CC1C[C@H]2CC=CC[C@@H](C1)C2=O 238183901 573912823 /nfs/dbraw/zinc/91/28/23/573912823.db2.gz VTFBRDDCRDKCQA-PBINXNQUSA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)C[C@H]1Nc1cccc(Cl)n1 84689033 573912884 /nfs/dbraw/zinc/91/28/84/573912884.db2.gz GYUQYXBHHHAYNR-SSDOTTSWSA-N 0 0 196.681 2.945 10 0 AFAERN CC(C)(C)[C@H]1CC=C[C@H](CCO)C1 238182856 573912914 /nfs/dbraw/zinc/91/29/14/573912914.db2.gz BFVMKXWKAVVRHA-MNOVXSKESA-N 0 0 182.307 2.997 10 0 AFAERN CC(C)(C)CCn1cccc1 84728318 573912935 /nfs/dbraw/zinc/91/29/35/573912935.db2.gz VYFJNEOLDVDHGV-UHFFFAOYSA-N 0 0 151.253 2.924 10 0 AFAERN CC(C)C(F)(F)c1cc[nH]c1 259003523 573912938 /nfs/dbraw/zinc/91/29/38/573912938.db2.gz NCAVSRNONMCORO-UHFFFAOYSA-N 0 0 159.179 2.763 10 0 AFAERN CC(C)[C@@H]1CC[C@]2(C)C[C@@H]2C1=O 238183340 573912953 /nfs/dbraw/zinc/91/29/53/573912953.db2.gz AZTRCUMYNCSWBP-IQJOONFLSA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)(C)[C@H]1CC=C[C@@H](CCO)C1 238182698 573912960 /nfs/dbraw/zinc/91/29/60/573912960.db2.gz BFVMKXWKAVVRHA-QWRGUYRKSA-N 0 0 182.307 2.997 10 0 AFAERN CC1(C)OC[C@@](C)(c2ccsc2)O1 238182922 573912980 /nfs/dbraw/zinc/91/29/80/573912980.db2.gz ACCWYQVUIFFNEL-JTQLQIEISA-N 0 0 198.287 2.746 10 0 AFAERN CC1(C)CC(=O)[C@@]2(C)CC=C[C@H]12 238183243 573913125 /nfs/dbraw/zinc/91/31/25/573913125.db2.gz VFJKRODSDNVBHG-KCJUWKMLSA-N 0 0 164.248 2.568 10 0 AFAERN O[C@H](c1cc[nH]c1)C1CCCCC1 84717852 573913156 /nfs/dbraw/zinc/91/31/56/573913156.db2.gz CGFXBXDFORVQMM-NSHDSACASA-N 0 0 179.263 2.628 10 0 AFAERN Cc1ccc2nc(CC(C)C)cn2c1 257897325 573913164 /nfs/dbraw/zinc/91/31/64/573913164.db2.gz HIQZZMWVKYFEOS-UHFFFAOYSA-N 0 0 188.274 2.841 10 0 AFAERN CC1=C[C@H]2C(=O)C(C)(C)[C@]2(C)C1 238182913 573913176 /nfs/dbraw/zinc/91/31/76/573913176.db2.gz AWQGEOZHRGYMLA-GZMMTYOYSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)SC(=O)c1ccccc1N 238183674 573913180 /nfs/dbraw/zinc/91/31/80/573913180.db2.gz YQIQESLSDYRANV-UHFFFAOYSA-N 0 0 195.287 2.551 10 0 AFAERN Nc1ccc(-c2csc(N)c2)cc1 258179908 573913222 /nfs/dbraw/zinc/91/32/22/573913222.db2.gz SLTFCLLBFBJHLY-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN Cc1cc(Cl)cc2c1CC[C@H]2O 235795293 573913265 /nfs/dbraw/zinc/91/32/65/573913265.db2.gz GZLRGXFFQWBARL-SNVBAGLBSA-N 0 0 182.650 2.628 10 0 AFAERN COc1cccc(C(C)(F)F)c1 259002190 573913290 /nfs/dbraw/zinc/91/32/90/573913290.db2.gz MYGXWWMWUGVFAT-UHFFFAOYSA-N 0 0 172.174 2.807 10 0 AFAERN CC1=C[C@H]2C(=O)C(C)(C)[C@@]2(C)C1 238182893 573913357 /nfs/dbraw/zinc/91/33/57/573913357.db2.gz AWQGEOZHRGYMLA-KWQFWETISA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)Cc1cn2c(n1)[C@H](C)CCC2 258180134 573913428 /nfs/dbraw/zinc/91/34/28/573913428.db2.gz FCIRWOKNCBYICZ-SNVBAGLBSA-N 0 0 192.306 2.979 10 0 AFAERN CC(C)C(F)(F)c1ccccn1 259009423 573917312 /nfs/dbraw/zinc/91/73/12/573917312.db2.gz NWZKOPIOTQYWHD-UHFFFAOYSA-N 0 0 171.190 2.829 10 0 AFAERN CN[C@@H](C)C(F)(F)c1cccc(C)c1 257898465 573916562 /nfs/dbraw/zinc/91/65/62/573916562.db2.gz VMZSLCISCMUGIV-VIFPVBQESA-N 0 0 199.244 2.695 10 0 AFAERN CC(=O)[C@@]1(Cl)CCCC=C1C 238184642 573916725 /nfs/dbraw/zinc/91/67/25/573916725.db2.gz YUYXVYRLDRRCIW-SECBINFHSA-N 0 0 172.655 2.683 10 0 AFAERN CCCc1nc(Cl)c2ccccn12 258181030 573916794 /nfs/dbraw/zinc/91/67/94/573916794.db2.gz IMNOLRUDDSWKBS-UHFFFAOYSA-N 0 0 194.665 2.940 10 0 AFAERN Cc1cc(C)c2c(c1C)O[C@H](C)C2 80873631 573916802 /nfs/dbraw/zinc/91/68/02/573916802.db2.gz XZTQWWZDVWHUKD-SECBINFHSA-N 0 0 176.259 2.935 10 0 AFAERN Cc1ccncc1C(=O)[C@H]1CC1(C)C 235801443 573916837 /nfs/dbraw/zinc/91/68/37/573916837.db2.gz LJIUVIHKYNRAJE-SNVBAGLBSA-N 0 0 189.258 2.619 10 0 AFAERN CCC[C@H](C)Nc1nc(C)cnc1C 84744145 573916930 /nfs/dbraw/zinc/91/69/30/573916930.db2.gz LKRHEARSLWACFJ-QMMMGPOBSA-N 0 0 193.294 2.694 10 0 AFAERN CCCCCN(C)C(=O)OCCC 223678203 573916995 /nfs/dbraw/zinc/91/69/95/573916995.db2.gz WOTKYOQOCZAIFA-UHFFFAOYSA-N 0 0 187.283 2.655 10 0 AFAERN CONCC1CCC(C(C)C)CC1 393571695 573917096 /nfs/dbraw/zinc/91/70/96/573917096.db2.gz ZOOOEWIMUXNKFQ-UHFFFAOYSA-N 0 0 185.311 2.600 10 0 AFAERN CC(C)c1ncc(F)cc1Cl 238184346 573917163 /nfs/dbraw/zinc/91/71/63/573917163.db2.gz VNGNODBYNMAEKR-UHFFFAOYSA-N 0 0 173.618 2.998 10 0 AFAERN CC1(C)CNc2ccc(Cl)cc2O1 84769919 573917202 /nfs/dbraw/zinc/91/72/02/573917202.db2.gz QACWLHKXGVOGCV-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN CC(C)CC1CCC2(CC1)OCCO2 80851892 573917233 /nfs/dbraw/zinc/91/72/33/573917233.db2.gz IOINTGSHSAJNDQ-UHFFFAOYSA-N 0 0 198.306 2.966 10 0 AFAERN CC1(C)CC[C@]1(O)CC1CC=CC1 642822946 573919050 /nfs/dbraw/zinc/91/90/50/573919050.db2.gz DHHNQCDXIVBQFP-LBPRGKRZSA-N 0 0 180.291 2.894 10 0 AFAERN Cc1cc2cc(O)cc3c2n1CCC3 259582617 573919136 /nfs/dbraw/zinc/91/91/36/573919136.db2.gz VSMZZRZJJXSOHW-UHFFFAOYSA-N 0 0 187.242 2.602 10 0 AFAERN CC(=O)[C@@]12CCC[C@@H](CC1)C2 238186715 573919170 /nfs/dbraw/zinc/91/91/70/573919170.db2.gz COFFEYKOWPRLIY-UWVGGRQHSA-N 0 0 152.237 2.546 10 0 AFAERN CC1(C)CNc2cccc(Cl)c2O1 84769909 573918385 /nfs/dbraw/zinc/91/83/85/573918385.db2.gz WRIMVQQISLMFOV-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN O[C@H]1CCc2ccc3ccccc3c21 80874886 573918389 /nfs/dbraw/zinc/91/83/89/573918389.db2.gz HMDUFJHTFREFSA-LBPRGKRZSA-N 0 0 184.238 2.819 10 0 AFAERN CCC[C@@H](C)[C@](C)(O)C1(C)CC1 233283758 573918397 /nfs/dbraw/zinc/91/83/97/573918397.db2.gz MBTSJOFKJLJAFS-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(-c2ccc(C)o2)nc(C)n1 259005652 573918407 /nfs/dbraw/zinc/91/84/07/573918407.db2.gz DNXKUCFAJDMSHY-UHFFFAOYSA-N 0 0 188.230 2.662 10 0 AFAERN Cc1cccc(C(C)(C)CCO)c1 80866293 573918528 /nfs/dbraw/zinc/91/85/28/573918528.db2.gz QZFCKLYCBKQAAK-UHFFFAOYSA-N 0 0 178.275 2.655 10 0 AFAERN Cc1ncc(CC(C)C)c(Cl)n1 258455876 573918535 /nfs/dbraw/zinc/91/85/35/573918535.db2.gz GNVLVMNPDUMPDL-UHFFFAOYSA-N 0 0 184.670 2.637 10 0 AFAERN CC(=O)[C@]12CC=CC[C@H]1CCC2 238186877 573918630 /nfs/dbraw/zinc/91/86/30/573918630.db2.gz BLRIOYWSYWZYEE-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1ncc(C2CCCCC2)c(=O)[nH]1 257898869 573918631 /nfs/dbraw/zinc/91/86/31/573918631.db2.gz ACRPSBGJCZNZPK-UHFFFAOYSA-N 0 0 192.262 2.538 10 0 AFAERN Cc1ccc(N)cc1CC(C)C 84736923 573918839 /nfs/dbraw/zinc/91/88/39/573918839.db2.gz UWXPKBAFYVJVBG-UHFFFAOYSA-N 0 0 163.264 2.776 10 0 AFAERN CCC[C@@H](C)Nc1nc(C)cnc1C 84744144 573918897 /nfs/dbraw/zinc/91/88/97/573918897.db2.gz LKRHEARSLWACFJ-MRVPVSSYSA-N 0 0 193.294 2.694 10 0 AFAERN CCC[C@@H](C)[C@](C)(O)CC1CC1 233283774 573918991 /nfs/dbraw/zinc/91/89/91/573918991.db2.gz FMCOXFTXBMPEIM-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN O[C@@H]1CCc2ccc3ccccc3c21 80874882 573919021 /nfs/dbraw/zinc/91/90/21/573919021.db2.gz HMDUFJHTFREFSA-GFCCVEGCSA-N 0 0 184.238 2.819 10 0 AFAERN CC(C)(C)COc1ccccc1O 80874476 573919030 /nfs/dbraw/zinc/91/90/30/573919030.db2.gz XNUZIBRHTUBLKE-UHFFFAOYSA-N 0 0 180.247 2.817 10 0 AFAERN Cc1cc(C)c2c(c1)N(C)C[C@H](C)O2 84768874 573919033 /nfs/dbraw/zinc/91/90/33/573919033.db2.gz SAKVAAMFQAMOPH-JTQLQIEISA-N 0 0 191.274 2.521 10 0 AFAERN Cc1cccc(C)c1C(=O)c1ccc[nH]1 235807333 573920237 /nfs/dbraw/zinc/92/02/37/573920237.db2.gz GTBOVHIKFUCZKA-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN CO[C@@H](C(=O)[C@@H](C)CC(C)C)C1CC1 308463921 573921091 /nfs/dbraw/zinc/92/10/91/573921091.db2.gz HEQSPVLHMMXMTB-JOYOIKCWSA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@H](C)[C@H](NN)[C@H]1CC[C@@H](CC)C1 253006605 573921119 /nfs/dbraw/zinc/92/11/19/573921119.db2.gz NJKPIHZBFLUFAZ-USZNOCQGSA-N 0 0 198.354 2.691 10 0 AFAERN CC(=O)[C@@]12CCCC[C@]1(C)C2 238186621 573920321 /nfs/dbraw/zinc/92/03/21/573920321.db2.gz JMOJLDWWMDTQSY-ZJUUUORDSA-N 0 0 152.237 2.546 10 0 AFAERN CC(=O)C[C@H]1CSc2ccccc21 258182261 573920361 /nfs/dbraw/zinc/92/03/61/573920361.db2.gz MZNORNDTMJMTLA-VIFPVBQESA-N 0 0 192.283 2.855 10 0 AFAERN CC[C@@H]1CC[C@H]([C@H](NN)[C@H](C)CC)C1 253006607 573920575 /nfs/dbraw/zinc/92/05/75/573920575.db2.gz NJKPIHZBFLUFAZ-WISYIIOYSA-N 0 0 198.354 2.691 10 0 AFAERN CC1=Cc2occc2C(C)=C(C)[C@@H]1O 238187004 573920692 /nfs/dbraw/zinc/92/06/92/573920692.db2.gz WOSRSYDUBBDROH-GFCCVEGCSA-N 0 0 190.242 2.851 10 0 AFAERN CC(C)C(=O)C(C)(C)C1CC1 238186724 573920785 /nfs/dbraw/zinc/92/07/85/573920785.db2.gz QESGPUFESSDYMO-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](C)[C@@H](NN)[C@H]1CC[C@@H](CC)C1 253006606 573920816 /nfs/dbraw/zinc/92/08/16/573920816.db2.gz NJKPIHZBFLUFAZ-WHOHXGKFSA-N 0 0 198.354 2.691 10 0 AFAERN CC(C)=C[C@@H](CO)CC(C)C 238185828 573920879 /nfs/dbraw/zinc/92/08/79/573920879.db2.gz HGAMCJOAOBVKFN-SNVBAGLBSA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)c1ncncc1OC1CCC1 238186853 573920882 /nfs/dbraw/zinc/92/08/82/573920882.db2.gz JXFDBFSXTCGGKW-UHFFFAOYSA-N 0 0 192.262 2.531 10 0 AFAERN CC(=O)[C@@]12CCCC[C@H]1CC2 238186462 573920942 /nfs/dbraw/zinc/92/09/42/573920942.db2.gz FCGGNXHYRJBPHW-UWVGGRQHSA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)n1ccnc1-c1ccccn1 238186560 573921036 /nfs/dbraw/zinc/92/10/36/573921036.db2.gz WTGJHYHVTRMENM-UHFFFAOYSA-N 0 0 187.246 2.526 10 0 AFAERN CO[C@@H](C(=O)[C@H](C)CC(C)C)C1CC1 308463917 573922029 /nfs/dbraw/zinc/92/20/29/573922029.db2.gz HEQSPVLHMMXMTB-BXKDBHETSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)C(=O)Cc1c(F)cccc1F 87447151 573922080 /nfs/dbraw/zinc/92/20/80/573922080.db2.gz XTYCDXUSSZBSTA-UHFFFAOYSA-N 0 0 198.212 2.732 10 0 AFAERN CC1=C[C@]23CCC[C@@]2(CC1)CC3=O 238185789 573922087 /nfs/dbraw/zinc/92/20/87/573922087.db2.gz BYTAADLIAZHDCZ-NEPJUHHUSA-N 0 0 176.259 2.856 10 0 AFAERN CC(C)C(=O)Cc1ccc(F)c(F)c1 87447185 573922931 /nfs/dbraw/zinc/92/29/31/573922931.db2.gz QDAUTPQXEIJYBX-UHFFFAOYSA-N 0 0 198.212 2.732 10 0 AFAERN CC1(C)CC(=O)[C@]2(C)CCC[C@@H]12 238185964 573922171 /nfs/dbraw/zinc/92/21/71/573922171.db2.gz YTPAPKAYFGZYME-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN CC1=Cc2c(O)c(C)cc(O)c2CC1 238186073 573922176 /nfs/dbraw/zinc/92/21/76/573922176.db2.gz FHXBTAKNBQSFRF-UHFFFAOYSA-N 0 0 190.242 2.756 10 0 AFAERN CC1=Cc2occc2C(C)=C(C)[C@H]1O 238187023 573922181 /nfs/dbraw/zinc/92/21/81/573922181.db2.gz WOSRSYDUBBDROH-LBPRGKRZSA-N 0 0 190.242 2.851 10 0 AFAERN Fc1cccc2c1NCC1(CCC1)O2 259238721 573922228 /nfs/dbraw/zinc/92/22/28/573922228.db2.gz MZPXCISVYQLSMN-UHFFFAOYSA-N 0 0 193.221 2.553 10 0 AFAERN Nc1ccc(C2CCSCC2)cc1 145070855 573922248 /nfs/dbraw/zinc/92/22/48/573922248.db2.gz FTNAGFKVVUKXFW-UHFFFAOYSA-N 0 0 193.315 2.879 10 0 AFAERN CON(CCC1CC1)C1CCCC1 308463539 573922272 /nfs/dbraw/zinc/92/22/72/573922272.db2.gz IILQONHDIUBKMV-UHFFFAOYSA-N 0 0 183.295 2.593 10 0 AFAERN CC1(C)CC(=O)[C@]2(C)CCC[C@H]12 238185981 573922383 /nfs/dbraw/zinc/92/23/83/573922383.db2.gz YTPAPKAYFGZYME-LDYMZIIASA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ncc(C2CCC2)c(Cl)n1 257900608 573922659 /nfs/dbraw/zinc/92/26/59/573922659.db2.gz AGJFOFUNGUAPEU-UHFFFAOYSA-N 0 0 182.654 2.706 10 0 AFAERN O=C1CCCc2sc(C3CC3)nc21 84887713 573922900 /nfs/dbraw/zinc/92/29/00/573922900.db2.gz JPBNCMJYXBEZTJ-UHFFFAOYSA-N 0 0 193.271 2.540 10 0 AFAERN CC(C)[C@H]1C=C2CCCC[C@H]2C1=O 238187760 573926403 /nfs/dbraw/zinc/92/64/03/573926403.db2.gz PWSIOCQIYHDBOX-GHMZBOCLSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)(CO)Sc1cccs1 259012169 573923694 /nfs/dbraw/zinc/92/36/94/573923694.db2.gz HUIUBSHPSUULLF-UHFFFAOYSA-N 0 0 188.317 2.611 10 0 AFAERN CC(C)C(=O)CC1C=CC=CC=C1 238188747 573923731 /nfs/dbraw/zinc/92/37/31/573923731.db2.gz KLDWMCZJVBIBOF-UHFFFAOYSA-N 0 0 176.259 2.900 10 0 AFAERN CS[C@H](/C=C/[C@@H](C)O)C(C)(C)C 238391791 573924132 /nfs/dbraw/zinc/92/41/32/573924132.db2.gz XMOUWAQGAHVVCM-VRIGTBSNSA-N 0 0 188.336 2.701 10 0 AFAERN CC(=O)C[C@@H]1CSc2ccccc21 258182257 573924144 /nfs/dbraw/zinc/92/41/44/573924144.db2.gz MZNORNDTMJMTLA-SECBINFHSA-N 0 0 192.283 2.855 10 0 AFAERN Nc1c(O)cccc1CC1CCCC1 257900489 573924183 /nfs/dbraw/zinc/92/41/83/573924183.db2.gz YSAPDJFLQBIQSH-UHFFFAOYSA-N 0 0 191.274 2.707 10 0 AFAERN CCC1([C@H](O)c2ccccc2)CC1 238198450 573924192 /nfs/dbraw/zinc/92/41/92/573924192.db2.gz WMSPQEAKPMVLLP-LLVKDONJSA-N 0 0 176.259 2.910 10 0 AFAERN CC(C)[C@@H](C)CNc1cccc(N)c1 81040682 573926457 /nfs/dbraw/zinc/92/64/57/573926457.db2.gz MPECVJFWMZEZMA-JTQLQIEISA-N 0 0 192.306 2.973 10 0 AFAERN Cc1ccc(F)c([C@H](O)C2CCC2)c1 84888126 573924204 /nfs/dbraw/zinc/92/42/04/573924204.db2.gz SXCONVQJNFITAE-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN CC1=C(C)C[C@H]2CC[C@@H](C1)C2=O 238198817 573929939 /nfs/dbraw/zinc/92/99/39/573929939.db2.gz SVKLQOPVMWQHMS-AOOOYVTPSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)[C@H](C)CNc1nccs1 81069897 573929992 /nfs/dbraw/zinc/92/99/92/573929992.db2.gz XFUSYHQYFLCUPE-MRVPVSSYSA-N 0 0 184.308 2.847 10 0 AFAERN C[C@@H]1Nc2cc(Cl)ccc2O[C@H]1C 87504083 573929993 /nfs/dbraw/zinc/92/99/93/573929993.db2.gz WWZPUFUHTSQGJA-BQBZGAKWSA-N 0 0 197.665 2.921 10 0 AFAERN CC(C)[C@H](C)CNc1cccc(N)c1 81040684 573929997 /nfs/dbraw/zinc/92/99/97/573929997.db2.gz MPECVJFWMZEZMA-SNVBAGLBSA-N 0 0 192.306 2.973 10 0 AFAERN O=C(CC1CC1)c1c(F)cccc1F 84932067 573930086 /nfs/dbraw/zinc/93/00/86/573930086.db2.gz WSTNDMUFIPRKIK-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN CC[C@H]1Oc2cccc(C)c2N[C@H]1C 87504502 573930107 /nfs/dbraw/zinc/93/01/07/573930107.db2.gz JRVOVZHRJRDSNC-VHSXEESVSA-N 0 0 191.274 2.966 10 0 AFAERN Cc1cccc2c1N[C@H](C)[C@H](C)O2 87504611 573930173 /nfs/dbraw/zinc/93/01/73/573930173.db2.gz UHXNKBAOGKIBKZ-BDAKNGLRSA-N 0 0 177.247 2.576 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@@H](C)[C@H](C)O2 87504722 573930198 /nfs/dbraw/zinc/93/01/98/573930198.db2.gz AVSKJOGUZHESAO-UWVGGRQHSA-N 0 0 191.274 2.885 10 0 AFAERN CC[C@H]1Oc2ccc(F)cc2N[C@@H]1C 87504920 573930205 /nfs/dbraw/zinc/93/02/05/573930205.db2.gz ABPYOSZQIMJZIY-GMSGAONNSA-N 0 0 195.237 2.797 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)[C@H](C)O2 87504444 573930212 /nfs/dbraw/zinc/93/02/12/573930212.db2.gz ALJIOKQNRRKKRD-IUCAKERBSA-N 0 0 177.247 2.576 10 0 AFAERN CC(C)C(=O)[C@@H](C)C(C)(C)Cl 238200154 573930324 /nfs/dbraw/zinc/93/03/24/573930324.db2.gz YNDINCXHSKGBRO-SSDOTTSWSA-N 0 0 176.687 2.865 10 0 AFAERN CC(C)[C@H](C)Cn1cc[nH]c1=S 81072899 573930338 /nfs/dbraw/zinc/93/03/38/573930338.db2.gz MITZJMNOJSREPC-MRVPVSSYSA-N 0 0 184.308 2.838 10 0 AFAERN CC[C@@H]1Oc2cc(C)ccc2N[C@H]1C 87504147 573930344 /nfs/dbraw/zinc/93/03/44/573930344.db2.gz RJXVPVFTJDWVEA-ONGXEEELSA-N 0 0 191.274 2.966 10 0 AFAERN CC[C@@H]1Oc2cccc(C)c2N[C@H]1C 87504503 573930358 /nfs/dbraw/zinc/93/03/58/573930358.db2.gz JRVOVZHRJRDSNC-UWVGGRQHSA-N 0 0 191.274 2.966 10 0 AFAERN CC[C@H]1Oc2c(C)cccc2N[C@@H]1C 87505261 573930370 /nfs/dbraw/zinc/93/03/70/573930370.db2.gz MWCSVBKPBMIFCS-MWLCHTKSSA-N 0 0 191.274 2.966 10 0 AFAERN CC[C@@H]1Oc2ccccc2N[C@@H]1C 87503726 573930384 /nfs/dbraw/zinc/93/03/84/573930384.db2.gz OKTQTNKNVANYRM-SCZZXKLOSA-N 0 0 177.247 2.658 10 0 AFAERN C[C@@H]1Nc2cc(Cl)ccc2O[C@@H]1C 87504089 573930390 /nfs/dbraw/zinc/93/03/90/573930390.db2.gz WWZPUFUHTSQGJA-NKWVEPMBSA-N 0 0 197.665 2.921 10 0 AFAERN CC(C)c1ccc(Cl)cc1CON 258182955 573930467 /nfs/dbraw/zinc/93/04/67/573930467.db2.gz RAGBMKXTIFBMFH-UHFFFAOYSA-N 0 0 199.681 2.854 10 0 AFAERN CC(C)[C@@H](C)Cn1cc[nH]c1=S 81072896 573930471 /nfs/dbraw/zinc/93/04/71/573930471.db2.gz MITZJMNOJSREPC-QMMMGPOBSA-N 0 0 184.308 2.838 10 0 AFAERN CC(C)=C[C@H](C)C(=O)C(C)C 238200213 573930486 /nfs/dbraw/zinc/93/04/86/573930486.db2.gz PGZJHWIUWZJGQH-VIFPVBQESA-N 0 0 154.253 2.814 10 0 AFAERN CC[C@H](O)c1ccccc1OC1CC1 308471048 573930570 /nfs/dbraw/zinc/93/05/70/573930570.db2.gz IQEKXWAIAWVPGF-NSHDSACASA-N 0 0 192.258 2.671 10 0 AFAERN CC(C)[C@@H](C)CNc1cccc(F)n1 81107768 573931867 /nfs/dbraw/zinc/93/18/67/573931867.db2.gz LLYPNVUABXMTEK-VIFPVBQESA-N 0 0 196.269 2.925 10 0 AFAERN CC[C@H]1Oc2ccc(C)cc2N[C@@H]1C 87504333 573931897 /nfs/dbraw/zinc/93/18/97/573931897.db2.gz SWKFDYWCHFDDDI-MWLCHTKSSA-N 0 0 191.274 2.966 10 0 AFAERN CC/C=C/c1nc(CC(C)C)no1 308465778 573931997 /nfs/dbraw/zinc/93/19/97/573931997.db2.gz JAQHMRXKFVNXOM-AATRIKPKSA-N 0 0 180.251 2.691 10 0 AFAERN CC[C@H]1Oc2ccc(F)cc2N[C@H]1C 87504914 573932630 /nfs/dbraw/zinc/93/26/30/573932630.db2.gz ABPYOSZQIMJZIY-OIBJUYFYSA-N 0 0 195.237 2.797 10 0 AFAERN CC1=C(C)CC(C)(C)[C@H](O)CC1 238195982 573932065 /nfs/dbraw/zinc/93/20/65/573932065.db2.gz DWUJVUCWXGBONN-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H]1Oc2ccc(C)cc2N[C@H]1C 87504329 573932166 /nfs/dbraw/zinc/93/21/66/573932166.db2.gz SWKFDYWCHFDDDI-GXSJLCMTSA-N 0 0 191.274 2.966 10 0 AFAERN Cc1cccc2c1N[C@H](C)[C@@H](C)O2 87504617 573932186 /nfs/dbraw/zinc/93/21/86/573932186.db2.gz UHXNKBAOGKIBKZ-RKDXNWHRSA-N 0 0 177.247 2.576 10 0 AFAERN C1CCC(CNN2CCCCC2)CC1 81150512 573932229 /nfs/dbraw/zinc/93/22/29/573932229.db2.gz BBRVBEQPKRBQLP-UHFFFAOYSA-N 0 0 196.338 2.557 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)[C@H](C)O2 87504441 573932382 /nfs/dbraw/zinc/93/23/82/573932382.db2.gz ALJIOKQNRRKKRD-BDAKNGLRSA-N 0 0 177.247 2.576 10 0 AFAERN Cc1cccc2c1O[C@@H](C)[C@@H](C)N2 87505400 573932406 /nfs/dbraw/zinc/93/24/06/573932406.db2.gz AOYCPBMVVQPAKJ-BDAKNGLRSA-N 0 0 177.247 2.576 10 0 AFAERN CCc1ccc2c(c1)N[C@H](C)[C@@H](C)O2 87503932 573932414 /nfs/dbraw/zinc/93/24/14/573932414.db2.gz AIVVRWKNEYPMDJ-RKDXNWHRSA-N 0 0 191.274 2.830 10 0 AFAERN OCCCCCC/C=C\Cl 81167898 573932431 /nfs/dbraw/zinc/93/24/31/573932431.db2.gz SXMBXXXBAKZJQD-ALCCZGGFSA-N 0 0 162.660 2.682 10 0 AFAERN CC[C@H]1Oc2ccccc2N[C@H]1C 87503718 573932471 /nfs/dbraw/zinc/93/24/71/573932471.db2.gz OKTQTNKNVANYRM-WCBMZHEXSA-N 0 0 177.247 2.658 10 0 AFAERN Cc1cccc2c1O[C@H](C)[C@@H](C)N2 87505395 573932529 /nfs/dbraw/zinc/93/25/29/573932529.db2.gz AOYCPBMVVQPAKJ-RKDXNWHRSA-N 0 0 177.247 2.576 10 0 AFAERN CC(C)[C@H](C)CNc1cccc(F)n1 81107772 573932574 /nfs/dbraw/zinc/93/25/74/573932574.db2.gz LLYPNVUABXMTEK-SECBINFHSA-N 0 0 196.269 2.925 10 0 AFAERN Clc1nc(Cc2cccs2)c[nH]1 257904457 573932586 /nfs/dbraw/zinc/93/25/86/573932586.db2.gz ATQZHFJVMFMEEG-UHFFFAOYSA-N 0 0 198.678 2.715 10 0 AFAERN OCCC(F)(F)C1CCCCC1 257905037 573932592 /nfs/dbraw/zinc/93/25/92/573932592.db2.gz PNDQGLBXGYVHKC-UHFFFAOYSA-N 0 0 178.222 2.584 10 0 AFAERN Cc1ccc(-c2oc(N)nc2C)cc1 257905367 573933770 /nfs/dbraw/zinc/93/37/70/573933770.db2.gz ZKIHEVQPPMYMII-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C=C/C=C\C[C@@H](O)C(C)(C)C 222663737 573933778 /nfs/dbraw/zinc/93/37/78/573933778.db2.gz FGMFBTSHFZOHNT-ATJFRQLMSA-N 0 0 154.253 2.526 10 0 AFAERN Clc1cccc2c1[C@@H]1C[C@@H]1N2 257909008 573933791 /nfs/dbraw/zinc/93/37/91/573933791.db2.gz LUTOQVYZAPVNKC-XRGYYRRGSA-N 0 0 165.623 2.621 10 0 AFAERN CC1(C)CCC(C)(C)C[C@@H](O)C(=O)C1 238196088 573933824 /nfs/dbraw/zinc/93/38/24/573933824.db2.gz VWFMLVVMYRHHPS-SECBINFHSA-N 0 0 198.306 2.543 10 0 AFAERN Cc1ccc(CN(C)C/C=C/Cl)o1 308465701 573933115 /nfs/dbraw/zinc/93/31/15/573933115.db2.gz IZUIYHSZPGDUQN-ZZXKWVIFSA-N 0 0 199.681 2.772 10 0 AFAERN CCC(C)(C)c1cccc(C=O)c1O 238196886 573933171 /nfs/dbraw/zinc/93/31/71/573933171.db2.gz UIGIYAYGODNGEX-UHFFFAOYSA-N 0 0 192.258 2.892 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@@H](C)[C@@H](C)O2 87504726 573933183 /nfs/dbraw/zinc/93/31/83/573933183.db2.gz AVSKJOGUZHESAO-VHSXEESVSA-N 0 0 191.274 2.885 10 0 AFAERN c1csc(C2CCSCC2)n1 402170638 573933197 /nfs/dbraw/zinc/93/31/97/573933197.db2.gz WDYCSZFNNCJZJF-UHFFFAOYSA-N 0 0 185.317 2.754 10 0 AFAERN Cc1cccc2c1N[C@@H](C)[C@@H](C)O2 87504619 573933217 /nfs/dbraw/zinc/93/32/17/573933217.db2.gz UHXNKBAOGKIBKZ-DTWKUNHWSA-N 0 0 177.247 2.576 10 0 AFAERN CCc1ccc2c(c1)N[C@H](C)[C@H](C)O2 87503925 573933271 /nfs/dbraw/zinc/93/32/71/573933271.db2.gz AIVVRWKNEYPMDJ-BDAKNGLRSA-N 0 0 191.274 2.830 10 0 AFAERN CC[C@H]1Oc2cccc(C)c2N[C@@H]1C 87504506 573933316 /nfs/dbraw/zinc/93/33/16/573933316.db2.gz JRVOVZHRJRDSNC-NXEZZACHSA-N 0 0 191.274 2.966 10 0 AFAERN Clc1cccc2c1[C@H]1C[C@H]1N2 257909010 573933340 /nfs/dbraw/zinc/93/33/40/573933340.db2.gz LUTOQVYZAPVNKC-YLWLKBPMSA-N 0 0 165.623 2.621 10 0 AFAERN CC(C)[C@H](C)Cn1cccc1 81108909 573933409 /nfs/dbraw/zinc/93/34/09/573933409.db2.gz HVBYKLBPQCVQHJ-SNVBAGLBSA-N 0 0 151.253 2.780 10 0 AFAERN CC(C)[C@](C)(c1ccccc1)[C@H](C)O 238196938 573933433 /nfs/dbraw/zinc/93/34/33/573933433.db2.gz DULCYRODEUIPAT-AAEUAGOBSA-N 0 0 192.302 2.981 10 0 AFAERN COC(=O)C1(CC2CCC2)CCC1 259242098 573933476 /nfs/dbraw/zinc/93/34/76/573933476.db2.gz VXQTVFSMNDEZRC-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC1(C)C2CCC(Cl)(CC2)[C@@H]1O 238196613 573933502 /nfs/dbraw/zinc/93/35/02/573933502.db2.gz GZMHTDAWCJQICE-CCNFQMFXSA-N 0 0 188.698 2.555 10 0 AFAERN CC[C@H]1Oc2c(C)cccc2N[C@H]1C 87505256 573933555 /nfs/dbraw/zinc/93/35/55/573933555.db2.gz MWCSVBKPBMIFCS-GXSJLCMTSA-N 0 0 191.274 2.966 10 0 AFAERN CC[C@H]1Oc2cc(F)ccc2N[C@H]1C 87504762 573933586 /nfs/dbraw/zinc/93/35/86/573933586.db2.gz NTXUDIZBOWRVTD-OIBJUYFYSA-N 0 0 195.237 2.797 10 0 AFAERN CC(C)(C)c1n[nH]c2ccc(O)cc12 257905229 573933606 /nfs/dbraw/zinc/93/36/06/573933606.db2.gz ZHQLZGKVBWHPCH-UHFFFAOYSA-N 0 0 190.246 2.566 10 0 AFAERN Cc1cc2cc(C)c(F)cc2[nH]1 224759364 573933621 /nfs/dbraw/zinc/93/36/21/573933621.db2.gz CYZYBDDTZKVAMQ-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN CCC(C)(C)C(=O)CCOC1CC1 716858873 573933626 /nfs/dbraw/zinc/93/36/26/573933626.db2.gz FTZWTCVQKUKYOC-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)c1cc(N)c2c(c1)C[C@H](C)O2 238196908 573933649 /nfs/dbraw/zinc/93/36/49/573933649.db2.gz GIVFDEILNPEMLG-QMMMGPOBSA-N 0 0 191.274 2.716 10 0 AFAERN CC[C@@H]1Oc2ccc(F)cc2N[C@@H]1C 87504923 573933689 /nfs/dbraw/zinc/93/36/89/573933689.db2.gz ABPYOSZQIMJZIY-XCBNKYQSSA-N 0 0 195.237 2.797 10 0 AFAERN CC(C)[C@](C)(c1ccccc1)[C@@H](C)O 238196918 573933741 /nfs/dbraw/zinc/93/37/41/573933741.db2.gz DULCYRODEUIPAT-YPMHNXCESA-N 0 0 192.302 2.981 10 0 AFAERN FC(F)(F)c1ccc2c(c1)[C@H]1C[C@H]1N2 257905559 573936471 /nfs/dbraw/zinc/93/64/71/573936471.db2.gz LGEKMLOZIQKTQY-VXNVDRBHSA-N 0 0 199.175 2.987 10 0 AFAERN CC1(C)CCC(C)(C)CC(O)C1 238196119 573936538 /nfs/dbraw/zinc/93/65/38/573936538.db2.gz GKSDDYSOEUNWEY-UHFFFAOYSA-N 0 0 170.296 2.974 10 0 AFAERN CCn1nc(CC(C)C)cc1Cl 87527153 573936566 /nfs/dbraw/zinc/93/65/66/573936566.db2.gz DGHVQRSFQJOGHW-UHFFFAOYSA-N 0 0 186.686 2.755 10 0 AFAERN CC(C)[C@H](C)[C@H](O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716473641 573936771 /nfs/dbraw/zinc/93/67/71/573936771.db2.gz AHXQWXFJYDUJTL-NFXCPBFJSA-N 0 0 196.334 2.932 10 0 AFAERN Cc1cccc(C)c1-c1cc(N)no1 235824776 573937283 /nfs/dbraw/zinc/93/72/83/573937283.db2.gz DRRHHUUWHNTHDZ-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC1(C)C=C[C@H]2C(C)(C)[C@@]2(C)C1=O 238198123 573937291 /nfs/dbraw/zinc/93/72/91/573937291.db2.gz XUIKIIFDGAZZAV-QPUJVOFHSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)[C@H](C)[C@H](O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716473642 573936899 /nfs/dbraw/zinc/93/68/99/573936899.db2.gz AHXQWXFJYDUJTL-WTHWOGDNSA-N 0 0 196.334 2.932 10 0 AFAERN CCO[C@@H](CC)C(=O)c1cccs1 131790336 573936936 /nfs/dbraw/zinc/93/69/36/573936936.db2.gz UYQDUJQXWMGIJS-QMMMGPOBSA-N 0 0 198.287 2.746 10 0 AFAERN FC(F)(F)c1ccc2c(c1)[C@@H]1C[C@@H]1N2 257905549 573937147 /nfs/dbraw/zinc/93/71/47/573937147.db2.gz LGEKMLOZIQKTQY-CBAPKCEASA-N 0 0 199.175 2.987 10 0 AFAERN CC/C(=C/CO)CC[C@@H]1O[C@@]1(C)CC 393654200 573937194 /nfs/dbraw/zinc/93/71/94/573937194.db2.gz DOEYZRAMTREOEU-RVWWTBQBSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)[C@H](CF)c1ccc(CO)cc1 258184957 573938306 /nfs/dbraw/zinc/93/83/06/573938306.db2.gz VLKGGEZCTDLPPD-LBPRGKRZSA-N 0 0 196.265 2.888 10 0 AFAERN CC(C)Cc1ccn(C(C)(C)C)n1 87527209 573938332 /nfs/dbraw/zinc/93/83/32/573938332.db2.gz BDTPIXMQELHKMA-UHFFFAOYSA-N 0 0 180.295 2.837 10 0 AFAERN CN[C@H](C)C(F)(F)c1ccc(C)cc1 257906612 573938350 /nfs/dbraw/zinc/93/83/50/573938350.db2.gz WMDYNCZFPRSXTM-SECBINFHSA-N 0 0 199.244 2.695 10 0 AFAERN CC(C)CCC(F)(F)F 78760158 573938418 /nfs/dbraw/zinc/93/84/18/573938418.db2.gz XPIKOVWMQRTVNB-UHFFFAOYSA-N 0 0 140.148 2.985 10 0 AFAERN CCCc1c(C)cccc1O 81199477 573938442 /nfs/dbraw/zinc/93/84/42/573938442.db2.gz FCUBUGPGVCEURB-UHFFFAOYSA-N 0 0 150.221 2.653 10 0 AFAERN CCC(=O)[C@H](C)[C@H]1CCCC[C@@H]1OC 308467622 573938482 /nfs/dbraw/zinc/93/84/82/573938482.db2.gz AADSBYJGOMUFAA-FOGDFJRCSA-N 0 0 198.306 2.807 10 0 AFAERN OC1CCC(CC2CCC2)CC1 259244619 573938503 /nfs/dbraw/zinc/93/85/03/573938503.db2.gz WBSKKIBMRDPRDP-UHFFFAOYSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cc(SO)ccc1F 259244326 573938508 /nfs/dbraw/zinc/93/85/08/573938508.db2.gz OLEAPWOYPORAFX-UHFFFAOYSA-N 0 0 158.197 2.699 10 0 AFAERN CCOC(=O)Sc1cccs1 259244330 573938516 /nfs/dbraw/zinc/93/85/16/573938516.db2.gz OLLWWIJTSKRKCF-UHFFFAOYSA-N 0 0 188.273 2.997 10 0 AFAERN CC(C)Cc1ccn(C(C)C)n1 87527217 573938539 /nfs/dbraw/zinc/93/85/39/573938539.db2.gz BYUAMZGBZCGGHD-UHFFFAOYSA-N 0 0 166.268 2.663 10 0 AFAERN CCc1ccc(SC=O)cc1 259244250 573938616 /nfs/dbraw/zinc/93/86/16/573938616.db2.gz OHTYHRUDRRCQFK-UHFFFAOYSA-N 0 0 166.245 2.531 10 0 AFAERN CONCc1cc(C)c(C)c(C)c1C 258184198 573938655 /nfs/dbraw/zinc/93/86/55/573938655.db2.gz WSSCBELRGOIHIZ-UHFFFAOYSA-N 0 0 193.290 2.571 10 0 AFAERN CSc1cc(C)ccc1C[C@H](C)O 258184207 573938681 /nfs/dbraw/zinc/93/86/81/573938681.db2.gz WSVORNACZPKTNS-VIFPVBQESA-N 0 0 196.315 2.640 10 0 AFAERN CCC(=O)[C@H](C)[C@@H]1CCCC[C@@H]1OC 308467627 573938700 /nfs/dbraw/zinc/93/87/00/573938700.db2.gz AADSBYJGOMUFAA-SCVCMEIPSA-N 0 0 198.306 2.807 10 0 AFAERN CC1(C)CCCCC(C)(C)[C@H](O)C1=O 238201112 573938809 /nfs/dbraw/zinc/93/88/09/573938809.db2.gz SPVZVMKXTJGOKS-SECBINFHSA-N 0 0 198.306 2.543 10 0 AFAERN CCC1=C2CCC[C@@H]2CC[C@@H]1O 238200624 573938868 /nfs/dbraw/zinc/93/88/68/573938868.db2.gz DKVBLXCNKAJKTQ-KCJUWKMLSA-N 0 0 166.264 2.648 10 0 AFAERN CC1=C(/C=C/CO)C(C)(C)CC=C1 238214677 573938885 /nfs/dbraw/zinc/93/88/85/573938885.db2.gz QEMUJQRLPOBGFR-FNORWQNLSA-N 0 0 178.275 2.838 10 0 AFAERN CC(C)[C@@H](CF)c1ccc(CO)cc1 258184953 573938945 /nfs/dbraw/zinc/93/89/45/573938945.db2.gz VLKGGEZCTDLPPD-GFCCVEGCSA-N 0 0 196.265 2.888 10 0 AFAERN Cc1ccc(Cl)c(C)c1C1(O)CC1 258184381 573938970 /nfs/dbraw/zinc/93/89/70/573938970.db2.gz WWFPWEGGSNXCOM-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN CCC(=O)[C@H](C)[C@@H]1CCCC[C@H]1OC 308467625 573938981 /nfs/dbraw/zinc/93/89/81/573938981.db2.gz AADSBYJGOMUFAA-JFGNBEQYSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](C)[C@H](O)c1ccc(Cl)nc1 87546162 573940371 /nfs/dbraw/zinc/94/03/71/573940371.db2.gz XMYSSFWICXNKEJ-XVKPBYJWSA-N 0 0 199.681 2.815 10 0 AFAERN CC(C)[C@H](C)[C@H](O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716473646 573940398 /nfs/dbraw/zinc/94/03/98/573940398.db2.gz AHXQWXFJYDUJTL-YERPJTIDSA-N 0 0 196.334 2.932 10 0 AFAERN CCCC1=CCC(C)(C)[C@H](O)C1 238201304 573940405 /nfs/dbraw/zinc/94/04/05/573940405.db2.gz VAHCTXSZCRLPGP-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1ccc2scc(CCO)c2c1 257906803 573940424 /nfs/dbraw/zinc/94/04/24/573940424.db2.gz NAVGJSDQTVJNTI-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN CC(C)C(=O)[C@@H]1CCC=C[C@@H]1C 238201059 573939731 /nfs/dbraw/zinc/93/97/31/573939731.db2.gz VYCDTQZROMMZAP-VHSXEESVSA-N 0 0 166.264 2.814 10 0 AFAERN Fc1ncccc1OC1CCCC1 87542374 573939743 /nfs/dbraw/zinc/93/97/43/573939743.db2.gz IGWBZROFUCWULQ-UHFFFAOYSA-N 0 0 181.210 2.542 10 0 AFAERN CC(C)[C@H]1Oc2ccc(O)cc2S1 238200518 573939759 /nfs/dbraw/zinc/93/97/59/573939759.db2.gz YPKXSJPGKPFKLP-JTQLQIEISA-N 0 0 196.271 2.859 10 0 AFAERN CC1(C)CCCCC(C)(C)[C@@H](O)C1=O 238201092 573939804 /nfs/dbraw/zinc/93/98/04/573939804.db2.gz SPVZVMKXTJGOKS-VIFPVBQESA-N 0 0 198.306 2.543 10 0 AFAERN CC(=C=C1CCCCC1)CCO 238201202 573939853 /nfs/dbraw/zinc/93/98/53/573939853.db2.gz FLLBDWXHHITFQR-UHFFFAOYSA-N 0 0 166.264 2.805 10 0 AFAERN CCC(C)=C=CC(C)(C)[C@@H](C)O 238200422 573939858 /nfs/dbraw/zinc/93/98/58/573939858.db2.gz GSFLSALNDUZFLI-OMNKOJBGSA-N 0 0 168.280 2.905 10 0 AFAERN Cc1c(O)c2cccc3c2n1CCC3 259245271 573939945 /nfs/dbraw/zinc/93/99/45/573939945.db2.gz DCWBWQZKWBFZSU-UHFFFAOYSA-N 0 0 187.242 2.602 10 0 AFAERN CC1=C(C)[C@@](C)(CO)c2ccccc21 238201259 573939956 /nfs/dbraw/zinc/93/99/56/573939956.db2.gz MAUDALDZHXLSMU-CYBMUJFWSA-N 0 0 188.270 2.744 10 0 AFAERN CCC(=O)Nc1cc(Cl)cs1 238215107 573939993 /nfs/dbraw/zinc/93/99/93/573939993.db2.gz SQUSOHHUHSACNF-UHFFFAOYSA-N 0 0 189.667 2.750 10 0 AFAERN CCC1=C2CCC[C@H]2CC[C@H]1O 238200733 573939999 /nfs/dbraw/zinc/93/99/99/573939999.db2.gz DKVBLXCNKAJKTQ-GZMMTYOYSA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)[C@H](c1ccco1)C(C)C 238215124 573940027 /nfs/dbraw/zinc/94/00/27/573940027.db2.gz DTIANQQPMUVMMI-SNVBAGLBSA-N 0 0 166.220 2.608 10 0 AFAERN CC[C@@H](C)[C@H](O)C(C)(C)CC 81196895 573940039 /nfs/dbraw/zinc/94/00/39/573940039.db2.gz KSEFWSWZOHCKSX-BDAKNGLRSA-N 0 0 158.285 2.830 10 0 AFAERN C=Cc1cccc([C@H](O)CC)c1 81220086 573940067 /nfs/dbraw/zinc/94/00/67/573940067.db2.gz HPQNIOKBHIKLNI-LLVKDONJSA-N 0 0 162.232 2.773 10 0 AFAERN C/C=C(/NC(=O)CC)c1ccccc1 238214691 573940101 /nfs/dbraw/zinc/94/01/01/573940101.db2.gz ITFHGZMLIQVLMF-QDEBKDIKSA-N 0 0 189.258 2.574 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ccnc(Cl)c1 87545626 573940111 /nfs/dbraw/zinc/94/01/11/573940111.db2.gz NHKALDYACMZGBB-XCBNKYQSSA-N 0 0 199.681 2.815 10 0 AFAERN O=C(CC1CC1)c1ccc(Cl)nc1 87545941 573940209 /nfs/dbraw/zinc/94/02/09/573940209.db2.gz RRKWRDDXLKZYOL-UHFFFAOYSA-N 0 0 195.649 2.718 10 0 AFAERN CC[C@@H](C)C(=O)c1ccnc(Cl)c1 87545383 573940216 /nfs/dbraw/zinc/94/02/16/573940216.db2.gz FJTPGSKXSRXCSI-SSDOTTSWSA-N 0 0 197.665 2.964 10 0 AFAERN COCc1cc2ccc(C)cc2[nH]1 257906366 573940287 /nfs/dbraw/zinc/94/02/87/573940287.db2.gz OYSPNAYKRXIPHW-UHFFFAOYSA-N 0 0 175.231 2.623 10 0 AFAERN CCC(C)=C=CC(C)(C)[C@H](C)O 238200443 573940299 /nfs/dbraw/zinc/94/02/99/573940299.db2.gz GSFLSALNDUZFLI-MHPPCMCBSA-N 0 0 168.280 2.905 10 0 AFAERN C[C@@]1(O)CCCc2c(Cl)cccc21 258184586 573940301 /nfs/dbraw/zinc/94/03/01/573940301.db2.gz VHVWFZVIBKEYQQ-LLVKDONJSA-N 0 0 196.677 2.884 10 0 AFAERN CC[C@H](C)[C@H](O)c1ccnc(Cl)c1 87545628 573940316 /nfs/dbraw/zinc/94/03/16/573940316.db2.gz NHKALDYACMZGBB-XVKPBYJWSA-N 0 0 199.681 2.815 10 0 AFAERN O=C(CC1CC1)c1ccnc(Cl)c1 87545416 573942035 /nfs/dbraw/zinc/94/20/35/573942035.db2.gz CDNQFKKFBAISJD-UHFFFAOYSA-N 0 0 195.649 2.718 10 0 AFAERN CC1(C)CCCCCC[C@@H]1O 238201296 573942039 /nfs/dbraw/zinc/94/20/39/573942039.db2.gz YGXPZGPIRRGRDK-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN CCC1=C2CCC[C@H]2CC[C@@H]1O 238200713 573942076 /nfs/dbraw/zinc/94/20/76/573942076.db2.gz DKVBLXCNKAJKTQ-KWQFWETISA-N 0 0 166.264 2.648 10 0 AFAERN CCCC1=CCC[C@H]1C(C)=O 238201610 573942085 /nfs/dbraw/zinc/94/20/85/573942085.db2.gz ZCKMGZXNJFQKRW-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN CC1=CCCC[C@H]1C(=O)C(C)C 238201110 573942100 /nfs/dbraw/zinc/94/21/00/573942100.db2.gz QGQYUFADCZNDDZ-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN COCCCCC1=C[C@H](O)C[C@@H](C)C1 308470827 573942144 /nfs/dbraw/zinc/94/21/44/573942144.db2.gz HYYHWWCVLXABDI-CMPLNLGQSA-N 0 0 198.306 2.520 10 0 AFAERN CC1(C)CC(=O)[C@H]2CCCC[C@@H]21 238201569 573942153 /nfs/dbraw/zinc/94/21/53/573942153.db2.gz RGMYBPVYXPXYFM-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN CCCOC(=O)N1CC[C@@H](C(C)C)C1 308470188 573942206 /nfs/dbraw/zinc/94/22/06/573942206.db2.gz JBEMSDBBEAMNDF-SNVBAGLBSA-N 0 0 199.294 2.511 10 0 AFAERN CC(C)[C@@H](CF)c1cccc(CO)c1 258186750 573942323 /nfs/dbraw/zinc/94/23/23/573942323.db2.gz VOCKQQCCPFDTDL-GFCCVEGCSA-N 0 0 196.265 2.888 10 0 AFAERN O[C@H](CC1CC1)c1ccc(Cl)nc1 87546106 573942388 /nfs/dbraw/zinc/94/23/88/573942388.db2.gz BBMJYXWSCFWXNL-SECBINFHSA-N 0 0 197.665 2.569 10 0 AFAERN CC[C@@H](C)Oc1ccc(Cl)nc1 87542941 573942398 /nfs/dbraw/zinc/94/23/98/573942398.db2.gz HXRKZZFPARGTPO-SSDOTTSWSA-N 0 0 185.654 2.912 10 0 AFAERN CC(C)(C)[C@@H](O)c1ccnc(Cl)c1 87545774 573942412 /nfs/dbraw/zinc/94/24/12/573942412.db2.gz UFELMATYJADYAG-VIFPVBQESA-N 0 0 199.681 2.815 10 0 AFAERN CC(C)C[C@H](O)c1ccnc(Cl)c1 87545533 573942442 /nfs/dbraw/zinc/94/24/42/573942442.db2.gz RQUDJWVCSLPZKQ-VIFPVBQESA-N 0 0 199.681 2.815 10 0 AFAERN Cc1oncc1C[NH+](C(C)C)C(C)C 585365100 573942507 /nfs/dbraw/zinc/94/25/07/573942507.db2.gz DFRIEOKVRBLNBP-UHFFFAOYSA-N 0 0 196.294 2.602 10 0 AFAERN COCCCCC1=C[C@H](O)C[C@H](C)C1 308470834 573942521 /nfs/dbraw/zinc/94/25/21/573942521.db2.gz HYYHWWCVLXABDI-ZYHUDNBSSA-N 0 0 198.306 2.520 10 0 AFAERN CC(C)(C)[C@H](O)c1ccnc(Cl)c1 87545773 573942525 /nfs/dbraw/zinc/94/25/25/573942525.db2.gz UFELMATYJADYAG-SECBINFHSA-N 0 0 199.681 2.815 10 0 AFAERN CC(C)C[C@H](C)C(=O)c1cccnc1 308469750 573942708 /nfs/dbraw/zinc/94/27/08/573942708.db2.gz IWMYROYZOOZRQV-JTQLQIEISA-N 0 0 191.274 2.947 10 0 AFAERN CC(C)C[C@H](O)c1ccc(Cl)nc1 87546064 573942712 /nfs/dbraw/zinc/94/27/12/573942712.db2.gz XIBCGVKUAFEXPB-VIFPVBQESA-N 0 0 199.681 2.815 10 0 AFAERN CC[C@@H](C)C[C@H](O)C1(C)CC1 87549777 573943541 /nfs/dbraw/zinc/94/35/41/573943541.db2.gz QVRIWFUQVUQODG-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc(C(=O)CCCCF)ccn1 308469497 573943572 /nfs/dbraw/zinc/94/35/72/573943572.db2.gz BDYNQFKOZJJRJS-UHFFFAOYSA-N 0 0 195.237 2.713 10 0 AFAERN CC1([C@@H](O)c2ccc(F)cc2F)CC1 87550394 573943579 /nfs/dbraw/zinc/94/35/79/573943579.db2.gz KYGKZHVXSAMDAL-JTQLQIEISA-N 0 0 198.212 2.798 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ccnc(Cl)c1 87545631 573942859 /nfs/dbraw/zinc/94/28/59/573942859.db2.gz NHKALDYACMZGBB-GMSGAONNSA-N 0 0 199.681 2.815 10 0 AFAERN CC[C@H](C)C(=O)c1ccc(Cl)nc1 87545915 573942914 /nfs/dbraw/zinc/94/29/14/573942914.db2.gz RWBQSPISKFITAS-ZETCQYMHSA-N 0 0 197.665 2.964 10 0 AFAERN Cc1cc(C)c2c(c1C)[C@@H](O)CC2 235832444 573942962 /nfs/dbraw/zinc/94/29/62/573942962.db2.gz PNLOLEVKUSBUQP-NSHDSACASA-N 0 0 176.259 2.591 10 0 AFAERN COc1ccc(C=O)c(CC(C)C)c1 308469425 573942965 /nfs/dbraw/zinc/94/29/65/573942965.db2.gz JMEOYDNOJVGRQX-UHFFFAOYSA-N 0 0 192.258 2.706 10 0 AFAERN CCCC1=C[C@@H](O)C(C)(C)CC1 238202173 573943048 /nfs/dbraw/zinc/94/30/48/573943048.db2.gz UNCOCDBFVKHYFO-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ccc(Cl)nc1 87546165 573943049 /nfs/dbraw/zinc/94/30/49/573943049.db2.gz XMYSSFWICXNKEJ-OIBJUYFYSA-N 0 0 199.681 2.815 10 0 AFAERN Cc1[nH]c(C)c(C(=O)C(C)C)c1C 238203787 573943113 /nfs/dbraw/zinc/94/31/13/573943113.db2.gz NZYCJJUGMBFVNL-UHFFFAOYSA-N 0 0 179.263 2.779 10 0 AFAERN CC(C)C(=O)[C@H]1CCC=C[C@@H]1C 238202761 573943171 /nfs/dbraw/zinc/94/31/71/573943171.db2.gz VYCDTQZROMMZAP-UWVGGRQHSA-N 0 0 166.264 2.814 10 0 AFAERN CC[C@H](C)Oc1ccc(Cl)nc1 87542943 573943183 /nfs/dbraw/zinc/94/31/83/573943183.db2.gz HXRKZZFPARGTPO-ZETCQYMHSA-N 0 0 185.654 2.912 10 0 AFAERN CC(C)C[C@@H](O)c1ccnc(Cl)c1 87545535 573943236 /nfs/dbraw/zinc/94/32/36/573943236.db2.gz RQUDJWVCSLPZKQ-SECBINFHSA-N 0 0 199.681 2.815 10 0 AFAERN CC[C@H](C)C(=O)c1ccnc(Cl)c1 87545385 573943247 /nfs/dbraw/zinc/94/32/47/573943247.db2.gz FJTPGSKXSRXCSI-ZETCQYMHSA-N 0 0 197.665 2.964 10 0 AFAERN CC(C)C(=O)[C@H]1CCC=C[C@H]1C 238202772 573943254 /nfs/dbraw/zinc/94/32/54/573943254.db2.gz VYCDTQZROMMZAP-ZJUUUORDSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1ccc(-c2cocc2N)cc1 258186190 573943257 /nfs/dbraw/zinc/94/32/57/573943257.db2.gz SZMMQQRHEKQFER-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CCC(C)(C)Oc1ccc(N)c(C)n1 123164503 573943289 /nfs/dbraw/zinc/94/32/89/573943289.db2.gz SXNSOKRVFRZPAZ-UHFFFAOYSA-N 0 0 194.278 2.540 10 0 AFAERN Cc1[nH]c(C2CCCCCC2)nc1O 235829074 573943369 /nfs/dbraw/zinc/94/33/69/573943369.db2.gz MDLLEMCLUPBZGF-UHFFFAOYSA-N 0 0 194.278 2.862 10 0 AFAERN CC1([C@@H](O)c2ccc(F)c(F)c2)CC1 87550294 573944414 /nfs/dbraw/zinc/94/44/14/573944414.db2.gz FQEVWBPYKXUKJV-JTQLQIEISA-N 0 0 198.212 2.798 10 0 AFAERN COc1ccccc1[C@H](O)C1(C)CC1 87549918 573945165 /nfs/dbraw/zinc/94/51/65/573945165.db2.gz PVMMVVGVBJUQER-NSHDSACASA-N 0 0 192.258 2.529 10 0 AFAERN Cc1ccc([C@H](O)C2(C)CC2)s1 87550401 573945179 /nfs/dbraw/zinc/94/51/79/573945179.db2.gz DJMQRTHFCCQGKK-VIFPVBQESA-N 0 0 182.288 2.890 10 0 AFAERN CC1=C(C)[C@](C)(CO)c2ccccc21 238203401 573945193 /nfs/dbraw/zinc/94/51/93/573945193.db2.gz MAUDALDZHXLSMU-ZDUSSCGKSA-N 0 0 188.270 2.744 10 0 AFAERN CC(C)C[C@@H](C)C(=O)C1CCOCC1 308470155 573944428 /nfs/dbraw/zinc/94/44/28/573944428.db2.gz IZFSCTMAOPYASP-SNVBAGLBSA-N 0 0 198.306 2.664 10 0 AFAERN CC1(C(=O)CC2CCCC2)CC1 87549120 573944432 /nfs/dbraw/zinc/94/44/32/573944432.db2.gz KBYGPFNIVHNDBV-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN Oc1ccc(C2(O)CCCCC2)cc1 78242202 573944538 /nfs/dbraw/zinc/94/45/38/573944538.db2.gz XCIMQWDOKGWIOH-UHFFFAOYSA-N 0 0 192.258 2.544 10 0 AFAERN CC1([C@H](O)c2ccsc2)CC1 87549715 573944546 /nfs/dbraw/zinc/94/45/46/573944546.db2.gz MOCKQNPVHMAXEO-MRVPVSSYSA-N 0 0 168.261 2.582 10 0 AFAERN CC1(C(=O)c2ccccc2F)CC1 87548971 573944570 /nfs/dbraw/zinc/94/45/70/573944570.db2.gz MJWZWBSGASUTHM-UHFFFAOYSA-N 0 0 178.206 2.809 10 0 AFAERN CC(C)C(=O)[C@H](C)C(C)(C)Cl 238202209 573944592 /nfs/dbraw/zinc/94/45/92/573944592.db2.gz YNDINCXHSKGBRO-ZETCQYMHSA-N 0 0 176.687 2.865 10 0 AFAERN CCCC1=C[C@H](O)C(C)(C)CC1 238202427 573944631 /nfs/dbraw/zinc/94/46/31/573944631.db2.gz UNCOCDBFVKHYFO-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C(=O)Cc2ccccc2F)CC1 87549223 573944650 /nfs/dbraw/zinc/94/46/50/573944650.db2.gz QFXAFNJEBJZZCT-UHFFFAOYSA-N 0 0 192.233 2.737 10 0 AFAERN Cc1ccc(F)c([C@H](O)C2(C)CC2)c1 87549935 573944684 /nfs/dbraw/zinc/94/46/84/573944684.db2.gz SZHVTNUSVRHHJK-NSHDSACASA-N 0 0 194.249 2.968 10 0 AFAERN CC1(C(=O)Cc2ccsc2)CC1 87549005 573944691 /nfs/dbraw/zinc/94/46/91/573944691.db2.gz BNIDRTAQUOAFDD-UHFFFAOYSA-N 0 0 180.272 2.660 10 0 AFAERN CC1([C@H](O)Cc2ccc(F)cc2)CC1 87549429 573944697 /nfs/dbraw/zinc/94/46/97/573944697.db2.gz ADORFJPVILSFBL-LLVKDONJSA-N 0 0 194.249 2.529 10 0 AFAERN CC(C)C(=O)[C@]12CC=CC[C@@H]1CC2 238201997 573944726 /nfs/dbraw/zinc/94/47/26/573944726.db2.gz GSWJIIZFFWTWRK-PWSUYJOCSA-N 0 0 178.275 2.958 10 0 AFAERN CC1([C@H](O)c2ccc(F)c(F)c2)CC1 87550291 573944747 /nfs/dbraw/zinc/94/47/47/573944747.db2.gz FQEVWBPYKXUKJV-SNVBAGLBSA-N 0 0 198.212 2.798 10 0 AFAERN Cc1ccc([C@H](O)C2(C)CC2)cc1 87550253 573944769 /nfs/dbraw/zinc/94/47/69/573944769.db2.gz CJGOKDRIWKFFHP-NSHDSACASA-N 0 0 176.259 2.829 10 0 AFAERN CC1([C@H](O)c2cccc(F)c2)CC1 87549904 573944838 /nfs/dbraw/zinc/94/48/38/573944838.db2.gz HHEKNBAFCCUYOQ-SNVBAGLBSA-N 0 0 180.222 2.659 10 0 AFAERN Cc1ccc(CC(=O)C2(C)CC2)cc1 87549107 573944879 /nfs/dbraw/zinc/94/48/79/573944879.db2.gz KETQIJWCBSNWLL-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN Cc1cccc2c1c(C=O)c(C)n2C 257907518 573944925 /nfs/dbraw/zinc/94/49/25/573944925.db2.gz PTXWWMZFOLEWFR-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CCCOC(=O)N1CC[C@H](C(C)C)C1 308470187 573944936 /nfs/dbraw/zinc/94/49/36/573944936.db2.gz JBEMSDBBEAMNDF-JTQLQIEISA-N 0 0 199.294 2.511 10 0 AFAERN CC1([C@H](O)c2cc(F)cc(F)c2)CC1 87549455 573944948 /nfs/dbraw/zinc/94/49/48/573944948.db2.gz WPSWCWBXBGLGMU-SNVBAGLBSA-N 0 0 198.212 2.798 10 0 AFAERN CC1([C@H](O)C2CCCCC2)CC1 87549593 573944952 /nfs/dbraw/zinc/94/49/52/573944952.db2.gz IZOYKQIEDLECTQ-SNVBAGLBSA-N 0 0 168.280 2.728 10 0 AFAERN CC1(C(=O)C2CCCCC2)CC1 87549168 573944973 /nfs/dbraw/zinc/94/49/73/573944973.db2.gz JKZJHKJUUNFKES-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC1([C@@H](O)c2cc(F)ccc2F)CC1 87549616 573944981 /nfs/dbraw/zinc/94/49/81/573944981.db2.gz FOYSPZLWGCPQHK-JTQLQIEISA-N 0 0 198.212 2.798 10 0 AFAERN CC1(C(=O)Cc2ccccc2)CC1 87549099 573944997 /nfs/dbraw/zinc/94/49/97/573944997.db2.gz PYDDUAKUPMRFGY-UHFFFAOYSA-N 0 0 174.243 2.598 10 0 AFAERN CC(C)C[C@H](C)C(=O)C1CCOCC1 308470154 573945036 /nfs/dbraw/zinc/94/50/36/573945036.db2.gz IZFSCTMAOPYASP-JTQLQIEISA-N 0 0 198.306 2.664 10 0 AFAERN CC1([C@@H](O)c2cc(F)cc(F)c2)CC1 87549457 573945043 /nfs/dbraw/zinc/94/50/43/573945043.db2.gz WPSWCWBXBGLGMU-JTQLQIEISA-N 0 0 198.212 2.798 10 0 AFAERN CC[C@@H](C)CC(=O)C1(C)CC1 87548962 573945070 /nfs/dbraw/zinc/94/50/70/573945070.db2.gz LCSBJEDNZVRAPW-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)(C)CC[C@@H](O)C1(C)CC1 87549670 573945091 /nfs/dbraw/zinc/94/50/91/573945091.db2.gz AASUKVWVCHQDJI-SECBINFHSA-N 0 0 170.296 2.974 10 0 AFAERN CC1([C@H](O)c2c(F)cccc2F)CC1 87550008 573945117 /nfs/dbraw/zinc/94/51/17/573945117.db2.gz DSXBOCTUWYFVEE-SNVBAGLBSA-N 0 0 198.212 2.798 10 0 AFAERN CC1([C@H](O)c2cccs2)CC1 87549631 573945366 /nfs/dbraw/zinc/94/53/66/573945366.db2.gz DGSBAKRJZCIEKL-MRVPVSSYSA-N 0 0 168.261 2.582 10 0 AFAERN CC(=C=C(C)C(C)(C)C)CO 238203720 573945376 /nfs/dbraw/zinc/94/53/76/573945376.db2.gz XFRLEZDRJRGACN-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN CC1([C@@H](O)CC2CCCC2)CC1 87549497 573945395 /nfs/dbraw/zinc/94/53/95/573945395.db2.gz BSCCKKGRMPTGLM-JTQLQIEISA-N 0 0 168.280 2.728 10 0 AFAERN CC1(C(=O)Cc2cccs2)CC1 87549323 573945400 /nfs/dbraw/zinc/94/54/00/573945400.db2.gz ZMSFAPATUUUHRN-UHFFFAOYSA-N 0 0 180.272 2.660 10 0 AFAERN CC[C@H](C)C[C@@H](O)C1(C)CC1 87549783 573945405 /nfs/dbraw/zinc/94/54/05/573945405.db2.gz QVRIWFUQVUQODG-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccccc1C[C@@H](O)C1(C)CC1 87550239 573946066 /nfs/dbraw/zinc/94/60/66/573946066.db2.gz CALQCJACZRSJRC-GFCCVEGCSA-N 0 0 190.286 2.699 10 0 AFAERN CC1(C)CC(=O)c2ccc(O)cc2C1 238202985 573945492 /nfs/dbraw/zinc/94/54/92/573945492.db2.gz BMCPHBWFKJTXEE-UHFFFAOYSA-N 0 0 190.242 2.547 10 0 AFAERN Cc1ccccc1[C@H](O)C1(C)CC1 87549748 573945510 /nfs/dbraw/zinc/94/55/10/573945510.db2.gz BFBKTVGEMUCMFR-NSHDSACASA-N 0 0 176.259 2.829 10 0 AFAERN CC(C)C[C@@H](C)C(=O)c1cccnc1 308469753 573945516 /nfs/dbraw/zinc/94/55/16/573945516.db2.gz IWMYROYZOOZRQV-SNVBAGLBSA-N 0 0 191.274 2.947 10 0 AFAERN Cc1nc(C2(C)CC2)nc(Cl)c1C 87548827 573946080 /nfs/dbraw/zinc/94/60/80/573946080.db2.gz LXCRHKIVFYQDOD-UHFFFAOYSA-N 0 0 196.681 2.798 10 0 AFAERN CC1([C@H](O)CC2CCCC2)CC1 87549496 573945545 /nfs/dbraw/zinc/94/55/45/573945545.db2.gz BSCCKKGRMPTGLM-SNVBAGLBSA-N 0 0 168.280 2.728 10 0 AFAERN CC1(C(=O)c2c(F)cccc2F)CC1 87549146 573945553 /nfs/dbraw/zinc/94/55/53/573945553.db2.gz JMSKDRKPVKLVFV-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN Cc1cc([C@H](O)C2(C)CC2)ccc1F 87549932 573945569 /nfs/dbraw/zinc/94/55/69/573945569.db2.gz DOSXZWLUYDZJQK-NSHDSACASA-N 0 0 194.249 2.968 10 0 AFAERN CC1([C@H](O)c2ccc(F)cc2F)CC1 87550391 573945589 /nfs/dbraw/zinc/94/55/89/573945589.db2.gz KYGKZHVXSAMDAL-SNVBAGLBSA-N 0 0 198.212 2.798 10 0 AFAERN Cc1cccc(C[C@@H](O)C2(C)CC2)c1 87549490 573945662 /nfs/dbraw/zinc/94/56/62/573945662.db2.gz IGUMXDOLAZXXPE-GFCCVEGCSA-N 0 0 190.286 2.699 10 0 AFAERN CC(C)COc1ccc2c(c1)NCC2 257907197 573945670 /nfs/dbraw/zinc/94/56/70/573945670.db2.gz FCDJCVCJPUWQRA-UHFFFAOYSA-N 0 0 191.274 2.689 10 0 AFAERN CC(C)CCC(=O)C1(C)CC1 87549032 573945681 /nfs/dbraw/zinc/94/56/81/573945681.db2.gz HZCJKKZENAGGSM-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN O=Cc1cc2c(cc1F)CCCC2 257907216 573945692 /nfs/dbraw/zinc/94/56/92/573945692.db2.gz ADCMHESUWGLTLZ-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN Cc1cc(F)ccc1[C@H](O)C1(C)CC1 87550283 573945745 /nfs/dbraw/zinc/94/57/45/573945745.db2.gz JOJZOGPRIIAYEH-NSHDSACASA-N 0 0 194.249 2.968 10 0 AFAERN Cc1ccc(F)cc1[C@H](O)C1(C)CC1 87550067 573945748 /nfs/dbraw/zinc/94/57/48/573945748.db2.gz OMNAAXBHHIDWHW-NSHDSACASA-N 0 0 194.249 2.968 10 0 AFAERN COc1cccc([C@@H](O)C2(C)CC2)c1 87550199 573945769 /nfs/dbraw/zinc/94/57/69/573945769.db2.gz URXBDDRQALKUTD-LLVKDONJSA-N 0 0 192.258 2.529 10 0 AFAERN CC1([C@@H](O)c2cccc(F)c2)CC1 87549906 573946085 /nfs/dbraw/zinc/94/60/85/573946085.db2.gz HHEKNBAFCCUYOQ-JTQLQIEISA-N 0 0 180.222 2.659 10 0 AFAERN CC[C@H](C)CC(=O)C1(C)CC1 87548965 573945773 /nfs/dbraw/zinc/94/57/73/573945773.db2.gz LCSBJEDNZVRAPW-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1ccc(CF)cc1C(C)(C)CO 258187024 573945822 /nfs/dbraw/zinc/94/58/22/573945822.db2.gz XCJXNUPBPSIQAK-UHFFFAOYSA-N 0 0 196.265 2.734 10 0 AFAERN CC1([C@@H](O)C2CCCCC2)CC1 87549596 573946100 /nfs/dbraw/zinc/94/61/00/573946100.db2.gz IZOYKQIEDLECTQ-JTQLQIEISA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cc(C)c2c(c1C)[C@H](O)CC2 235832317 573945882 /nfs/dbraw/zinc/94/58/82/573945882.db2.gz PNLOLEVKUSBUQP-LLVKDONJSA-N 0 0 176.259 2.591 10 0 AFAERN CCC1([C@H](NC)C(F)(F)F)CCC1 686126545 573945915 /nfs/dbraw/zinc/94/59/15/573945915.db2.gz NCEAPDCQMMLXHN-ZETCQYMHSA-N 0 0 195.228 2.717 10 0 AFAERN CC1(C(=O)C2CCCC2)CC1 87548975 573945916 /nfs/dbraw/zinc/94/59/16/573945916.db2.gz GZXCSKLQJNIMCM-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cc(C)c(OCC2CC2)cc1N 235837189 573945932 /nfs/dbraw/zinc/94/59/32/573945932.db2.gz YIEHOEFPYVIGLN-UHFFFAOYSA-N 0 0 191.274 2.674 10 0 AFAERN Cc1ccc(F)cc1[C@@H](O)C1(C)CC1 87550070 573945936 /nfs/dbraw/zinc/94/59/36/573945936.db2.gz OMNAAXBHHIDWHW-LLVKDONJSA-N 0 0 194.249 2.968 10 0 AFAERN CC1([C@H](O)c2ccc(F)cc2)CC1 87549744 573945939 /nfs/dbraw/zinc/94/59/39/573945939.db2.gz GGVKCGSIJKISAU-SNVBAGLBSA-N 0 0 180.222 2.659 10 0 AFAERN Cc1ccc(C[C@H](O)C2(C)CC2)cc1 87550228 573945985 /nfs/dbraw/zinc/94/59/85/573945985.db2.gz GNKIYXNRZKIMID-LBPRGKRZSA-N 0 0 190.286 2.699 10 0 AFAERN CC1([C@@H](O)Cc2ccccc2F)CC1 87549720 573946014 /nfs/dbraw/zinc/94/60/14/573946014.db2.gz DRLHCJPZBCSEBG-NSHDSACASA-N 0 0 194.249 2.529 10 0 AFAERN CC1(C)CC=Nc2ccccc2[C@H]1O 238206049 573947454 /nfs/dbraw/zinc/94/74/54/573947454.db2.gz JKELXNPADBCUAO-LLVKDONJSA-N 0 0 189.258 2.852 10 0 AFAERN CC(C)C(=O)c1ccc(C(C)C)[nH]1 238204167 573947515 /nfs/dbraw/zinc/94/75/15/573947515.db2.gz FEAUFCKNVBLBJN-UHFFFAOYSA-N 0 0 179.263 2.977 10 0 AFAERN CC1(C)CCC(=O)[C@@H]2CC=C[C@@H]21 238206367 573947555 /nfs/dbraw/zinc/94/75/55/573947555.db2.gz UBUOYZDJFONINK-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN CCCCC(=O)C1(C)CC1 87549162 573946871 /nfs/dbraw/zinc/94/68/71/573946871.db2.gz QOCAUTBKUKIBNR-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN Cc1cccc(C[C@H](O)C2(C)CC2)c1 87549488 573946884 /nfs/dbraw/zinc/94/68/84/573946884.db2.gz IGUMXDOLAZXXPE-LBPRGKRZSA-N 0 0 190.286 2.699 10 0 AFAERN CCC(=O)Nc1ccc(CC)cc1C 238215358 573946973 /nfs/dbraw/zinc/94/69/73/573946973.db2.gz NQRBAPYRRVNXMY-UHFFFAOYSA-N 0 0 191.274 2.906 10 0 AFAERN CCc1c(N)ccc2c(O)cccc12 257914149 573946994 /nfs/dbraw/zinc/94/69/94/573946994.db2.gz AIFUAMRWTNFIQI-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN CC1(C)S[C@H](O)c2ccccc21 238205603 573946998 /nfs/dbraw/zinc/94/69/98/573946998.db2.gz UTZXKUPDPPDNJF-VIFPVBQESA-N 0 0 180.272 2.659 10 0 AFAERN Cc1ccnc(Cl)c1OC(C)C 238206306 573947006 /nfs/dbraw/zinc/94/70/06/573947006.db2.gz WOVNAHOOELIDBQ-UHFFFAOYSA-N 0 0 185.654 2.831 10 0 AFAERN CCOCc1cc2ccccc2n1C 258187482 573947011 /nfs/dbraw/zinc/94/70/11/573947011.db2.gz ZGBKQZLBUWQXMS-UHFFFAOYSA-N 0 0 189.258 2.715 10 0 AFAERN CCCc1nc(C)c(F)c(Cl)n1 85005817 573947091 /nfs/dbraw/zinc/94/70/91/573947091.db2.gz JLENOHHNEXAKFG-UHFFFAOYSA-N 0 0 188.633 2.530 10 0 AFAERN CSCc1ncc(C)n1C(C)C 257914873 573947226 /nfs/dbraw/zinc/94/72/26/573947226.db2.gz QIOQFIWPGZSEBJ-UHFFFAOYSA-N 0 0 184.308 2.635 10 0 AFAERN O[C@@H](CC1CCCC1)c1cncs1 87572952 573947237 /nfs/dbraw/zinc/94/72/37/573947237.db2.gz BFIUKULJRGZGSX-VIFPVBQESA-N 0 0 197.303 2.757 10 0 AFAERN Cc1cc([C@@H](O)C2(C)CC2)ccc1F 87549934 573946829 /nfs/dbraw/zinc/94/68/29/573946829.db2.gz DOSXZWLUYDZJQK-LLVKDONJSA-N 0 0 194.249 2.968 10 0 AFAERN CCCn1nc(C(F)F)cc1Cl 85019221 573951691 /nfs/dbraw/zinc/95/16/91/573951691.db2.gz CYUZGHATEBEIBN-UHFFFAOYSA-N 0 0 194.612 2.884 10 0 AFAERN CCc1ccn(C2CCCC2)n1 85020315 573951727 /nfs/dbraw/zinc/95/17/27/573951727.db2.gz LNFKFNKTCZPDAU-UHFFFAOYSA-N 0 0 164.252 2.561 10 0 AFAERN CC(C)[C@@]12C=C[C@@](C)(CC1)CC2=O 238207711 573951024 /nfs/dbraw/zinc/95/10/24/573951024.db2.gz PWGUPWOKUNVROQ-NWDGAFQWSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1nn(C(C)(C)C)c(Cl)c1C 85018803 573951212 /nfs/dbraw/zinc/95/12/12/573951212.db2.gz MRMDLJGSXLOLCL-UHFFFAOYSA-N 0 0 186.686 2.908 10 0 AFAERN CC1(C)CCC(=O)[C@@H]2CCC[C@H]21 238206420 573951225 /nfs/dbraw/zinc/95/12/25/573951225.db2.gz IUEHXCZTJNZXBP-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(NC(=O)C(C)(C)C)CCCCC1 81561817 573951231 /nfs/dbraw/zinc/95/12/31/573951231.db2.gz RTZZSXKQLMKHPN-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN COCc1cc(C)c(OC)c(C)c1C 259249195 573951258 /nfs/dbraw/zinc/95/12/58/573951258.db2.gz IAOSPKZMAILOAK-UHFFFAOYSA-N 0 0 194.274 2.767 10 0 AFAERN CC1(C)CCC(=O)[C@H]2CCC[C@@H]21 238207350 573951263 /nfs/dbraw/zinc/95/12/63/573951263.db2.gz IUEHXCZTJNZXBP-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1nn(C(C)C)c(Cl)c1C 85019119 573951269 /nfs/dbraw/zinc/95/12/69/573951269.db2.gz DSWZMZCQLCZRMD-UHFFFAOYSA-N 0 0 172.659 2.734 10 0 AFAERN CC(F)(F)[C@H](O)c1ccc(F)cc1 238207129 573951273 /nfs/dbraw/zinc/95/12/73/573951273.db2.gz KHVXUUQHJQASFS-MRVPVSSYSA-N 0 0 190.164 2.514 10 0 AFAERN CC(C)[C@@]12CCCC(=O)[C@H]1CC2 238207306 573951314 /nfs/dbraw/zinc/95/13/14/573951314.db2.gz UPTVLASMUHEWDH-KOLCDFICSA-N 0 0 166.264 2.792 10 0 AFAERN CCc1cc(Cl)n(C(C)C)n1 85019148 573951355 /nfs/dbraw/zinc/95/13/55/573951355.db2.gz LEIMXSNZCIBJRQ-UHFFFAOYSA-N 0 0 172.659 2.680 10 0 AFAERN CSc1cc(C)ccc1C1(O)CC1 258186849 573951406 /nfs/dbraw/zinc/95/14/06/573951406.db2.gz WZKGURHZEZDVLJ-UHFFFAOYSA-N 0 0 194.299 2.698 10 0 AFAERN CC(F)(F)[C@H](O)/C=C/c1ccccc1 238207110 573951486 /nfs/dbraw/zinc/95/14/86/573951486.db2.gz RAEKTBRIGXIGKM-QROSGCPLSA-N 0 0 198.212 2.716 10 0 AFAERN CCn1nc2c(c1Cl)CCCCC2 85019179 573951529 /nfs/dbraw/zinc/95/15/29/573951529.db2.gz CPMFUJIJWPCHTR-UHFFFAOYSA-N 0 0 198.697 2.825 10 0 AFAERN CCCN(F)C(=O)Nc1ccccc1 238206975 573951532 /nfs/dbraw/zinc/95/15/32/573951532.db2.gz UPUNBSHLDAZJFQ-UHFFFAOYSA-N 0 0 196.225 2.815 10 0 AFAERN CC(C)[C@]1(C)CC[C@H](C)C1=O 238208338 573951536 /nfs/dbraw/zinc/95/15/36/573951536.db2.gz IPOLFBRFHCNCJS-WPRPVWTQSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1c(Cl)cccc1[C@@H](C)CO 258186842 573951539 /nfs/dbraw/zinc/95/15/39/573951539.db2.gz WZIQZOYGFJOSAH-ZETCQYMHSA-N 0 0 184.666 2.744 10 0 AFAERN Nc1cc(-c2ccc(C3CC3)cc2)[nH]n1 258188369 573951544 /nfs/dbraw/zinc/95/15/44/573951544.db2.gz RLYBHZNBQJNHKE-UHFFFAOYSA-N 0 0 199.257 2.536 10 0 AFAERN CC[C@H](C)n1ccc(C(F)(F)F)n1 85020375 573951580 /nfs/dbraw/zinc/95/15/80/573951580.db2.gz SAEJIWXLXSMNIB-LURJTMIESA-N 0 0 192.184 2.873 10 0 AFAERN COc1c(C)ccc(SC)c1C=O 257910194 573951604 /nfs/dbraw/zinc/95/16/04/573951604.db2.gz ARWAYRWDWOBAKH-UHFFFAOYSA-N 0 0 196.271 2.538 10 0 AFAERN CC(C)(C)c1ccn(C(C)(C)C)n1 85020162 573951619 /nfs/dbraw/zinc/95/16/19/573951619.db2.gz LOTXJUPZHPRFHK-UHFFFAOYSA-N 0 0 180.295 2.936 10 0 AFAERN CCCCn1ccc(C(C)C)n1 85020368 573951653 /nfs/dbraw/zinc/95/16/53/573951653.db2.gz SMGBKTZOXOLLLW-UHFFFAOYSA-N 0 0 166.268 2.807 10 0 AFAERN Cc1ccc2occ([C@@H](C)CO)c2c1 257910514 573953230 /nfs/dbraw/zinc/95/32/30/573953230.db2.gz NJBCHVZNALZFBI-VIFPVBQESA-N 0 0 190.242 2.837 10 0 AFAERN Cc1cc(Cl)n([C@@H](C)C2CC2)n1 85019516 573953234 /nfs/dbraw/zinc/95/32/34/573953234.db2.gz RFAMRQWPABRNMB-ZETCQYMHSA-N 0 0 184.670 2.816 10 0 AFAERN CC(F)(F)[C@@H](O)c1ccc(F)cc1 238206867 573953280 /nfs/dbraw/zinc/95/32/80/573953280.db2.gz KHVXUUQHJQASFS-QMMMGPOBSA-N 0 0 190.164 2.514 10 0 AFAERN CCc1ccn(-c2ccccc2C)n1 85020124 573953315 /nfs/dbraw/zinc/95/33/15/573953315.db2.gz SQNFFANTTKANHV-UHFFFAOYSA-N 0 0 186.258 2.743 10 0 AFAERN CCc1ccn(-c2cccc(F)c2)n1 85020442 573953368 /nfs/dbraw/zinc/95/33/68/573953368.db2.gz AYOCLUCTMPGRHQ-UHFFFAOYSA-N 0 0 190.221 2.574 10 0 AFAERN Cc1cc([C@H](O)CC2CC2)cs1 87581109 573953369 /nfs/dbraw/zinc/95/33/69/573953369.db2.gz SFZUMSAVNLANJP-SNVBAGLBSA-N 0 0 182.288 2.890 10 0 AFAERN C/C(Cl)=C/C=C/[C@@H](O)C(C)C 238207624 573953428 /nfs/dbraw/zinc/95/34/28/573953428.db2.gz XSLIOPYNPQRAKI-ZWLWZQJESA-N 0 0 174.671 2.702 10 0 AFAERN CC(C)c1ccn(C(C)C)n1 85020286 573953455 /nfs/dbraw/zinc/95/34/55/573953455.db2.gz WDLVPXNAMLEUBB-UHFFFAOYSA-N 0 0 152.241 2.587 10 0 AFAERN CC[C@H](C)n1nc(C)cc1Cl 85019386 573953460 /nfs/dbraw/zinc/95/34/60/573953460.db2.gz SCLNMEYCJCLXIX-ZETCQYMHSA-N 0 0 172.659 2.816 10 0 AFAERN Cc1ccc(-n2ccc(C)n2)c(C)c1 85020201 573953475 /nfs/dbraw/zinc/95/34/75/573953475.db2.gz KVGAQSNKNPMXOX-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN CCc1ccn(-c2ccc(C)cc2)n1 85020154 573953492 /nfs/dbraw/zinc/95/34/92/573953492.db2.gz BYJHYHWXEXIGTQ-UHFFFAOYSA-N 0 0 186.258 2.743 10 0 AFAERN CC(C)n1nc2c(c1Cl)CCCC2 85019124 573953507 /nfs/dbraw/zinc/95/35/07/573953507.db2.gz NQFRWOLVGMHMCV-UHFFFAOYSA-N 0 0 198.697 2.996 10 0 AFAERN CC(C)CCOCCn1cccc1 45109262 573953555 /nfs/dbraw/zinc/95/35/55/573953555.db2.gz AABXWTHEJLRPLY-UHFFFAOYSA-N 0 0 181.279 2.551 10 0 AFAERN COCc1coc2ccc(C)cc12 257909613 573953581 /nfs/dbraw/zinc/95/35/81/573953581.db2.gz PMQFBPMXUPSECH-UHFFFAOYSA-N 0 0 176.215 2.888 10 0 AFAERN CCCc1ccn(C(C)(C)C)n1 85020163 573953666 /nfs/dbraw/zinc/95/36/66/573953666.db2.gz KJOBRRWNUJLQER-UHFFFAOYSA-N 0 0 166.268 2.591 10 0 AFAERN CC1=C[C@@H](C)CC[C@]1(O)C(C)C 238206531 573953697 /nfs/dbraw/zinc/95/36/97/573953697.db2.gz ZEBCAPFZRROLHD-ONGXEEELSA-N 0 0 168.280 2.750 10 0 AFAERN Cc1ccc(C)c(-n2ccc(C)n2)c1 85020174 573953700 /nfs/dbraw/zinc/95/37/00/573953700.db2.gz ZWTSLFMRYCWOFV-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN CC[C@@H](C)n1ccc(C(F)F)n1 85020389 573953705 /nfs/dbraw/zinc/95/37/05/573953705.db2.gz NEYJGPMFVWDEBW-ZCFIWIBFSA-N 0 0 174.194 2.792 10 0 AFAERN CCc1ccn(-c2cccc(C)c2)n1 85020138 573953743 /nfs/dbraw/zinc/95/37/43/573953743.db2.gz FXVADEXPLNOYET-UHFFFAOYSA-N 0 0 186.258 2.743 10 0 AFAERN CC(C)n1nc(C2CC2)cc1Cl 85019130 573953749 /nfs/dbraw/zinc/95/37/49/573953749.db2.gz HSSRWIAFMOAGCK-UHFFFAOYSA-N 0 0 184.670 2.995 10 0 AFAERN Cc1cc(F)cc([C@H](O)CC2CC2)c1 87581259 573953753 /nfs/dbraw/zinc/95/37/53/573953753.db2.gz ZHXWAFCCGKBQHA-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN CC(=O)[C@H](F)c1ccc(Cl)cc1 257915664 573953763 /nfs/dbraw/zinc/95/37/63/573953763.db2.gz QUCXCQKPIZVMAQ-VIFPVBQESA-N 0 0 186.613 2.940 10 0 AFAERN CCSCc1ccc(O)cc1C 258188690 573953764 /nfs/dbraw/zinc/95/37/64/573953764.db2.gz TYDHQLNUSGVLKC-UHFFFAOYSA-N 0 0 182.288 2.954 10 0 AFAERN O[C@@H](CC1CC1)c1cccc(F)c1F 87581508 573953766 /nfs/dbraw/zinc/95/37/66/573953766.db2.gz XFMIPAXHGISHQT-JTQLQIEISA-N 0 0 198.212 2.798 10 0 AFAERN CCc1ccn(-c2ccc(F)cc2)n1 85020111 573953814 /nfs/dbraw/zinc/95/38/14/573953814.db2.gz MYSQWXXHRHTFHY-UHFFFAOYSA-N 0 0 190.221 2.574 10 0 AFAERN Cc1ccn(-c2ccc(F)cc2C)n1 85020547 573953863 /nfs/dbraw/zinc/95/38/63/573953863.db2.gz TVMGXQMAHHTTSM-UHFFFAOYSA-N 0 0 190.221 2.628 10 0 AFAERN Cc1nc(CC2CC2)nc(Cl)c1C 87580591 573953891 /nfs/dbraw/zinc/95/38/91/573953891.db2.gz HQVBXKGLGBPATM-UHFFFAOYSA-N 0 0 196.681 2.699 10 0 AFAERN CCc1cc(Cl)n(CC(C)C)n1 85018885 573953893 /nfs/dbraw/zinc/95/38/93/573953893.db2.gz DZECUCCJZYVTEZ-UHFFFAOYSA-N 0 0 186.686 2.755 10 0 AFAERN Cc1cc(Cl)n(CC(C)C)n1 85018850 573953907 /nfs/dbraw/zinc/95/39/07/573953907.db2.gz YZYUELZPKWNLAT-UHFFFAOYSA-N 0 0 172.659 2.501 10 0 AFAERN Cc1ccc2occ([C@H](C)CO)c2c1 257910512 573953955 /nfs/dbraw/zinc/95/39/55/573953955.db2.gz NJBCHVZNALZFBI-SECBINFHSA-N 0 0 190.242 2.837 10 0 AFAERN CC(C)Cn1ccc(C(C)C)n1 85020199 573953984 /nfs/dbraw/zinc/95/39/84/573953984.db2.gz XMJXEWURAXRYBD-UHFFFAOYSA-N 0 0 166.268 2.663 10 0 AFAERN CCc1cc(Cl)nc(CC2CC2)n1 87580585 573955329 /nfs/dbraw/zinc/95/53/29/573955329.db2.gz GNMIJOIQPGMMIY-UHFFFAOYSA-N 0 0 196.681 2.645 10 0 AFAERN O[C@@H](CC1CCCC1)CC1CC1 87581019 573954511 /nfs/dbraw/zinc/95/45/11/573954511.db2.gz JTIKYSAPTLMIHF-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC(=C1CC1)[C@H](O)c1ccccc1 238210416 573954573 /nfs/dbraw/zinc/95/45/73/573954573.db2.gz UCUYMRKWZAQWKO-LBPRGKRZSA-N 0 0 174.243 2.830 10 0 AFAERN CCC(=C(C)C)[C@@H](C)C(C)=O 238208723 573954619 /nfs/dbraw/zinc/95/46/19/573954619.db2.gz XJBUGILDTLENAL-QMMMGPOBSA-N 0 0 154.253 2.958 10 0 AFAERN Cc1cc(F)ccc1[C@H](O)CC1CC1 87581092 573954624 /nfs/dbraw/zinc/95/46/24/573954624.db2.gz SCOHRHJRYMZEOD-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN CC/C(C)=C/CCCCO 238209608 573954716 /nfs/dbraw/zinc/95/47/16/573954716.db2.gz OSADHBPTZIOKOJ-VQHVLOKHSA-N 0 0 142.242 2.505 10 0 AFAERN C[C@@H](CO)c1coc2ccc(F)cc12 257912484 573954934 /nfs/dbraw/zinc/95/49/34/573954934.db2.gz NQPSOGWRPXTMDR-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN Clc1ncccc1NCC1CCC1 87584522 573954990 /nfs/dbraw/zinc/95/49/90/573954990.db2.gz VMFQALVXCDHICM-UHFFFAOYSA-N 0 0 196.681 2.947 10 0 AFAERN CC(C)C(F)(F)c1ccncc1 259027182 573955012 /nfs/dbraw/zinc/95/50/12/573955012.db2.gz QUIFPHRVQYEFRH-UHFFFAOYSA-N 0 0 171.190 2.829 10 0 AFAERN Cc1ccncc1NCC1CCC1 87584656 573955061 /nfs/dbraw/zinc/95/50/61/573955061.db2.gz QRECEOLOBMIMLE-UHFFFAOYSA-N 0 0 176.263 2.602 10 0 AFAERN CC(C)[C@]1(C)OC[C@@H](C)CS1 238209017 573955083 /nfs/dbraw/zinc/95/50/83/573955083.db2.gz OZMQFKCKEVZXEF-RKDXNWHRSA-N 0 0 174.309 2.758 10 0 AFAERN CC(C)[C@H](O)C12CC(C(C)C)(C1)C2 238210734 573955091 /nfs/dbraw/zinc/95/50/91/573955091.db2.gz SUACEKROMQZBKK-UNXYVOJBSA-N 0 0 182.307 2.830 10 0 AFAERN C/C(=C\C=C\[C@@H](C)O)C(C)C 238210247 573955140 /nfs/dbraw/zinc/95/51/40/573955140.db2.gz MYLHGPRSZUEARQ-QAWGYZMXSA-N 0 0 154.253 2.526 10 0 AFAERN CC1(C)CCC2=C[C@H](O)C[C@@H]2C1 238209598 573955157 /nfs/dbraw/zinc/95/51/57/573955157.db2.gz RWKPQAVCTQNPEM-ZJUUUORDSA-N 0 0 166.264 2.504 10 0 AFAERN CC(=C1CC1)[C@@H](O)c1ccccc1 238210237 573955191 /nfs/dbraw/zinc/95/51/91/573955191.db2.gz UCUYMRKWZAQWKO-GFCCVEGCSA-N 0 0 174.243 2.830 10 0 AFAERN CC(C)[C@]12CC(=O)C[C@H](C)[C@H]1C2 238208832 573955198 /nfs/dbraw/zinc/95/51/98/573955198.db2.gz WPDUANKNYTUPLW-JMJZKYOTSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cc([C@@H](O)CC2CC2)cs1 87581111 573955228 /nfs/dbraw/zinc/95/52/28/573955228.db2.gz SFZUMSAVNLANJP-JTQLQIEISA-N 0 0 182.288 2.890 10 0 AFAERN Cc1cccc2occ(C(C)(C)O)c12 257912526 573955295 /nfs/dbraw/zinc/95/52/95/573955295.db2.gz NRRZBXNSWLZKOJ-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN CC1(C)C(=O)CC[C@@H]2CCC=C[C@H]21 238210635 573957310 /nfs/dbraw/zinc/95/73/10/573957310.db2.gz QYOLQZGCNGHFCD-VHSXEESVSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)[C@H](O)C1([Si](C)(C)C)CC1 238210710 573957316 /nfs/dbraw/zinc/95/73/16/573957316.db2.gz JFIQKHHDPVKFPE-VIFPVBQESA-N 0 0 186.371 2.876 10 0 AFAERN CC(C)[C@]1(C)OC[C@@H](C)S1 238209030 573957390 /nfs/dbraw/zinc/95/73/90/573957390.db2.gz DSOFCEYCLIYWLF-HTQZYQBOSA-N 0 0 160.282 2.511 10 0 AFAERN CC1(C)C(=O)CC[C@H]2CCC=C[C@H]21 238210597 573957406 /nfs/dbraw/zinc/95/74/06/573957406.db2.gz QYOLQZGCNGHFCD-NXEZZACHSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1cc(C)c(C[C@H](C)CO)c(C)c1 85038987 573957411 /nfs/dbraw/zinc/95/74/11/573957411.db2.gz NKANQIQAZUPKQO-JTQLQIEISA-N 0 0 192.302 2.783 10 0 AFAERN CC(C)[C@]1(C)OC[C@H](C)S1 238209063 573957482 /nfs/dbraw/zinc/95/74/82/573957482.db2.gz DSOFCEYCLIYWLF-JGVFFNPUSA-N 0 0 160.282 2.511 10 0 AFAERN Cc1ccc(C(=O)CCCCF)cn1 308471781 573957547 /nfs/dbraw/zinc/95/75/47/573957547.db2.gz BYUPOAOCBMPELI-UHFFFAOYSA-N 0 0 195.237 2.713 10 0 AFAERN C[C@H](O)c1ccc2occc2c1F 257911581 573957746 /nfs/dbraw/zinc/95/77/46/573957746.db2.gz ATGFNXBJGZIUSC-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN CC1(C)C(=O)C[C@@H]2C=CCC[C@H]21 238211924 573957801 /nfs/dbraw/zinc/95/78/01/573957801.db2.gz DTBVVKOAXWQCSJ-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)=C=C=CC[C@@H](O)C(C)C 238211870 573957954 /nfs/dbraw/zinc/95/79/54/573957954.db2.gz JPELAAJLGYLKMZ-LLVKDONJSA-N 0 0 166.264 2.670 10 0 AFAERN Cc1ccccc1-c1cc[nH]c1N 258191111 573957964 /nfs/dbraw/zinc/95/79/64/573957964.db2.gz UFNWVXPQWFSJIU-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN C[C@H](CO)c1coc2ccc(F)cc12 257912482 573957977 /nfs/dbraw/zinc/95/79/77/573957977.db2.gz NQPSOGWRPXTMDR-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN CCc1nc(C2CCC2)c(N)s1 87586017 573958674 /nfs/dbraw/zinc/95/86/74/573958674.db2.gz NRJMLOQZYOZFJG-UHFFFAOYSA-N 0 0 182.292 2.555 10 0 AFAERN CC(C)c1ccc(F)c(CCCO)c1 258189493 573958739 /nfs/dbraw/zinc/95/87/39/573958739.db2.gz XEMAJTYHODZVIB-UHFFFAOYSA-N 0 0 196.265 2.874 10 0 AFAERN OCC1(Cc2ccsc2)CCCC1 85037891 573958933 /nfs/dbraw/zinc/95/89/33/573958933.db2.gz UPFOAJPBUXBPNJ-UHFFFAOYSA-N 0 0 196.315 2.843 10 0 AFAERN CCC[C@H](CO)Cc1ccccc1F 85040450 573958950 /nfs/dbraw/zinc/95/89/50/573958950.db2.gz RVLFBGAUFUKFQI-JTQLQIEISA-N 0 0 196.265 2.777 10 0 AFAERN CCC/C=C(/CC)[C@H](C)O 238212374 573958988 /nfs/dbraw/zinc/95/89/88/573958988.db2.gz VXFNAXCUQUMXBB-FZGDARCMSA-N 0 0 142.242 2.504 10 0 AFAERN CC(C)[C@@]12C=C[C@@](C)(CC1)C(=O)C2 238212495 573959018 /nfs/dbraw/zinc/95/90/18/573959018.db2.gz DAJMATPOHFJMDC-RYUDHWBXSA-N 0 0 178.275 2.958 10 0 AFAERN CC1(C)CCC[C@@](C)(CO)CC1 238211714 573959051 /nfs/dbraw/zinc/95/90/51/573959051.db2.gz YIWSHDZAARICJE-LLVKDONJSA-N 0 0 170.296 2.975 10 0 AFAERN CC(C)[C@]12CCCC(=O)[C@H]1CC2 238211867 573959077 /nfs/dbraw/zinc/95/90/77/573959077.db2.gz UPTVLASMUHEWDH-MWLCHTKSSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc2cc(Cl)cnc2n1C 257920996 573959100 /nfs/dbraw/zinc/95/91/00/573959100.db2.gz ROBIIQFSRRLXOG-UHFFFAOYSA-N 0 0 180.638 2.535 10 0 AFAERN CC1(C)[C@H]2C=C[C@]1(C)CC(=O)C2 238211518 573959145 /nfs/dbraw/zinc/95/91/45/573959145.db2.gz ARHOEBPGZATCQV-GZMMTYOYSA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)CCC[C@@H]2C[C@@H](O)CC[C@@H]21 238211556 573959173 /nfs/dbraw/zinc/95/91/73/573959173.db2.gz KMISRNWBDUBEPS-VWYCJHECSA-N 0 0 182.307 2.974 10 0 AFAERN C=COc1cccc2ncccc12 197146825 573959210 /nfs/dbraw/zinc/95/92/10/573959210.db2.gz STSPHCUZWIBCGX-UHFFFAOYSA-N 0 0 171.199 2.757 10 0 AFAERN CC(C)CC(CO)CC(C)C 85039757 573959255 /nfs/dbraw/zinc/95/92/55/573959255.db2.gz FXXCTCCAZGTNNO-UHFFFAOYSA-N 0 0 158.285 2.687 10 0 AFAERN CC(C)c1ccc2c(c1)COCC2=O 238212922 573959259 /nfs/dbraw/zinc/95/92/59/573959259.db2.gz MJDGALGRMWKFPR-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN Cc1cc2cc([C@@H](C)O)ccc2o1 257920285 573959278 /nfs/dbraw/zinc/95/92/78/573959278.db2.gz BYIZSJAJTZYEBT-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN C[C@@H](O)/C=C\CSc1ccccc1 216464004 573959348 /nfs/dbraw/zinc/95/93/48/573959348.db2.gz WNDAAFAPOITESV-WWQCOOJYSA-N 0 0 194.299 2.716 10 0 AFAERN CC/C(=C/c1ccccc1)[C@@H](C)O 238211891 573959363 /nfs/dbraw/zinc/95/93/63/573959363.db2.gz QQQSIXUSQWYCLI-WJEYQPDNSA-N 0 0 176.259 2.861 10 0 AFAERN CC1(C)C(=O)[C@H]2CCC[C@@H]1CC2 238212192 573959380 /nfs/dbraw/zinc/95/93/80/573959380.db2.gz FJOUIEFVTQUKBK-DTWKUNHWSA-N 0 0 166.264 2.792 10 0 AFAERN CCCc1nc(C2CCC2)c(N)s1 87586018 573959382 /nfs/dbraw/zinc/95/93/82/573959382.db2.gz LEAMSPFXHUCGGX-UHFFFAOYSA-N 0 0 196.319 2.945 10 0 AFAERN CCCCCC(=O)C[C@@H](C)OC 127889240 573962284 /nfs/dbraw/zinc/96/22/84/573962284.db2.gz HVPTWWZRKCVGGL-SECBINFHSA-N 0 0 172.268 2.561 10 0 AFAERN CCC=C=C[C@H](O)c1ccccc1 238216890 573962287 /nfs/dbraw/zinc/96/22/87/573962287.db2.gz SHZFYMGXVDTRHI-GFKGLTBGSA-N 0 0 174.243 2.841 10 0 AFAERN CC(C)COc1cnccc1Cl 257913203 573962464 /nfs/dbraw/zinc/96/24/64/573962464.db2.gz BARKSJVKMJCTBM-UHFFFAOYSA-N 0 0 185.654 2.770 10 0 AFAERN CC1(C)CCNc2ccccc2[C@@H]1O 238216653 573962482 /nfs/dbraw/zinc/96/24/82/573962482.db2.gz DMAAERPZEZEHTF-NSHDSACASA-N 0 0 191.274 2.562 10 0 AFAERN Cc1cc2c(cc1F)NCC(C)(C)N2 235841184 573962515 /nfs/dbraw/zinc/96/25/15/573962515.db2.gz BZOOHVFPWSNXTF-UHFFFAOYSA-N 0 0 194.253 2.750 10 0 AFAERN CC(C)[C@H](O)[C@@H]1CC=CC[C@@H]1C 238216953 573962584 /nfs/dbraw/zinc/96/25/84/573962584.db2.gz ILZHUNMHFAWLKG-AXFHLTTASA-N 0 0 168.280 2.606 10 0 AFAERN CC(C)/C(=C/CO)C(C)(C)C 238217144 573962622 /nfs/dbraw/zinc/96/26/22/573962622.db2.gz OAOPOGFPVVPNBN-TWGQIWQCSA-N 0 0 156.269 2.607 10 0 AFAERN CC/C=C(/CC)[C@H](O)CC 238217090 573962639 /nfs/dbraw/zinc/96/26/39/573962639.db2.gz IVNTYJBXUUYMNO-UFGYOYAJSA-N 0 0 142.242 2.504 10 0 AFAERN CCC[C@@H](C)CC(=O)C[C@@H](C)OC 127890245 573962654 /nfs/dbraw/zinc/96/26/54/573962654.db2.gz UCCFCRMDHWDKIQ-NXEZZACHSA-N 0 0 186.295 2.807 10 0 AFAERN C/C=C/C[C@H](O)/C(C)=C\CC 238216057 573962688 /nfs/dbraw/zinc/96/26/88/573962688.db2.gz HCSUMGINIYHHIJ-JVNMWMSASA-N 0 0 154.253 2.670 10 0 AFAERN CC(C)[C@H](O)[C@H]1C=CCC=CC1 238216936 573962774 /nfs/dbraw/zinc/96/27/74/573962774.db2.gz LHEADKYPCRVVOC-MNOVXSKESA-N 0 0 166.264 2.526 10 0 AFAERN CCc1c[nH]c(=O)c2c(F)cccc12 257920653 573962796 /nfs/dbraw/zinc/96/27/96/573962796.db2.gz ASBWWIXJMZYTTF-UHFFFAOYSA-N 0 0 191.205 2.642 10 0 AFAERN C[C@H](CO)c1csc(C(C)(C)C)n1 257920128 573962899 /nfs/dbraw/zinc/96/28/99/573962899.db2.gz DEDFMIXCPCERBA-SSDOTTSWSA-N 0 0 199.319 2.536 10 0 AFAERN CC(C)[C@H](O)[C@H]1C=CC=CCC1 238217020 573963007 /nfs/dbraw/zinc/96/30/07/573963007.db2.gz PUVKTAYJYWNYPR-QWRGUYRKSA-N 0 0 166.264 2.526 10 0 AFAERN CC1(C)CCC[C@@H]2[C@H]3C(=O)CC[C@@]231 238215865 573963022 /nfs/dbraw/zinc/96/30/22/573963022.db2.gz HTNRAOJSAYEKHF-UBHAPETDSA-N 0 0 178.275 2.792 10 0 AFAERN CCC=C=CCNC(=O)OC(C)(C)C 238216662 573963099 /nfs/dbraw/zinc/96/30/99/573963099.db2.gz HHHKTTCKRYQKIS-UHFFFAOYSA-N 0 0 197.278 2.632 10 0 AFAERN CCC(CC)CC(=O)C(F)(F)F 127897590 573963120 /nfs/dbraw/zinc/96/31/20/573963120.db2.gz LOZFCVQIKUYMGV-UHFFFAOYSA-N 0 0 182.185 2.944 10 0 AFAERN CC/C=C(/C)[C@H](O)c1ccc(C)o1 238216675 573963140 /nfs/dbraw/zinc/96/31/40/573963140.db2.gz RQIZHVDRBNKXJL-OFSNVTPPSA-N 0 0 180.247 2.978 10 0 AFAERN CCC/C=C/[C@@H]1C[C@@H]1C(C)=O 238216032 573963161 /nfs/dbraw/zinc/96/31/61/573963161.db2.gz RSONIAUAOYLFIY-GMCFVEKCSA-N 0 0 152.237 2.568 10 0 AFAERN CC(C)C(F)(F)c1cccnc1 259029578 573967296 /nfs/dbraw/zinc/96/72/96/573967296.db2.gz RCGSOXOHKZFCEY-UHFFFAOYSA-N 0 0 171.190 2.829 10 0 AFAERN CCC/C=C/c1cc(C)no1 238218193 573967523 /nfs/dbraw/zinc/96/75/23/573967523.db2.gz HTQJIDCFHQGXKX-AATRIKPKSA-N 0 0 151.209 2.796 10 0 AFAERN Cc1cc(-c2ccc3ncoc3c2)n[nH]1 259028975 573967532 /nfs/dbraw/zinc/96/75/32/573967532.db2.gz JMVKBSCVVQQJAC-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN CC(C)c1cccc(-c2ncc[nH]2)n1 238218504 573967554 /nfs/dbraw/zinc/96/75/54/573967554.db2.gz IERSBNHACHAPRU-UHFFFAOYSA-N 0 0 187.246 2.595 10 0 AFAERN CCCc1ccc(N(C)COC)cc1 259029416 573967568 /nfs/dbraw/zinc/96/75/68/573967568.db2.gz HULUBXKGQGNMQS-UHFFFAOYSA-N 0 0 193.290 2.679 10 0 AFAERN CC(C)[C@H](O)[C@H]1CC=CC[C@@H]1C 238219181 573967704 /nfs/dbraw/zinc/96/77/04/573967704.db2.gz ILZHUNMHFAWLKG-DCAQKATOSA-N 0 0 168.280 2.606 10 0 AFAERN CC(C)/C=C/C[C@@H](O)C(C)C 238218769 573967873 /nfs/dbraw/zinc/96/78/73/573967873.db2.gz GUGIBAOKVJWGLQ-BRAIEQGRSA-N 0 0 156.269 2.606 10 0 AFAERN CC1(C)CCC[C@]2(C)C[C@H]1C2=O 238218882 573967874 /nfs/dbraw/zinc/96/78/74/573967874.db2.gz JULHLHOQAZZNIQ-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN O=C(CC1CCC1)c1cscn1 87589010 573967877 /nfs/dbraw/zinc/96/78/77/573967877.db2.gz YWPGGDWMDWLQGL-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN CC(C)c1cccc2c1C(=O)COC2 238219149 573967909 /nfs/dbraw/zinc/96/79/09/573967909.db2.gz NMYFTYNDQSHVJD-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN CC1(C)CCC[C@]2(C)CC[C@@H](O)O[C@@H]12 238218723 573967948 /nfs/dbraw/zinc/96/79/48/573967948.db2.gz UHMITQFYETXVPJ-JBLDHEPKSA-N 0 0 198.306 2.700 10 0 AFAERN CC(C)[C@H](O)[C@@H]1C=CC=CCC1 238219240 573967999 /nfs/dbraw/zinc/96/79/99/573967999.db2.gz PUVKTAYJYWNYPR-MNOVXSKESA-N 0 0 166.264 2.526 10 0 AFAERN CCC[C@@H]1COc2ccc(C)cc2N1 238219766 573968105 /nfs/dbraw/zinc/96/81/05/573968105.db2.gz ACOACACUQQFTHZ-SNVBAGLBSA-N 0 0 191.274 2.968 10 0 AFAERN CC(C)/C=C/C[C@H](O)C(C)C 238218844 573968107 /nfs/dbraw/zinc/96/81/07/573968107.db2.gz GUGIBAOKVJWGLQ-PORFMDCZSA-N 0 0 156.269 2.606 10 0 AFAERN CC(C)/C=C/[C@H]1C(=O)[C@H]2CCC[C@@H]12 238219787 573968135 /nfs/dbraw/zinc/96/81/35/573968135.db2.gz HUOCFYJNCPISNJ-VONSALPUSA-N 0 0 178.275 2.814 10 0 AFAERN CCC/C=C/[C@@H]1C(=O)[C@@H]2CCC[C@@H]12 238218158 573968178 /nfs/dbraw/zinc/96/81/78/573968178.db2.gz WKPOLWIXYJISEY-HSQWUTTESA-N 0 0 178.275 2.958 10 0 AFAERN O[C@H](CC1CCCC1)c1cscn1 87589113 573969284 /nfs/dbraw/zinc/96/92/84/573969284.db2.gz PHTRXKAUQLGYFP-SNVBAGLBSA-N 0 0 197.303 2.757 10 0 AFAERN CC1=CCC(=O)[C@H]1c1ccccc1 238227707 573969420 /nfs/dbraw/zinc/96/94/20/573969420.db2.gz JGNXDXWSKASXFJ-GFCCVEGCSA-N 0 0 172.227 2.689 10 0 AFAERN CCc1ccc2c(c1)[C@H](CC)C(=O)N2 104357262 573969499 /nfs/dbraw/zinc/96/94/99/573969499.db2.gz FFLIHWWYMAUNAA-VIFPVBQESA-N 0 0 189.258 2.695 10 0 AFAERN CC[C@H](C)[C@H](C)n1cccc1C=O 42558295 573969567 /nfs/dbraw/zinc/96/95/67/573969567.db2.gz DLCCANZRDAEMTA-UWVGGRQHSA-N 0 0 179.263 2.908 10 0 AFAERN CCC(=O)[C@@H]1[C@H](C(C)C)C1(C)C 238227931 573969595 /nfs/dbraw/zinc/96/95/95/573969595.db2.gz JTQPSVGKAGWVLR-VHSXEESVSA-N 0 0 168.280 2.894 10 0 AFAERN CCCC(=O)CC=C(C)C 238227413 573969737 /nfs/dbraw/zinc/96/97/37/573969737.db2.gz YCJGZIZETRTHOE-UHFFFAOYSA-N 0 0 140.226 2.712 10 0 AFAERN CC1=CCC(C)(C)CC[C@H]1CO 238227954 573969754 /nfs/dbraw/zinc/96/97/54/573969754.db2.gz WISXFEZWIGQRGJ-JTQLQIEISA-N 0 0 168.280 2.751 10 0 AFAERN CC[C@H]1C(=O)Nc2ccc(Cl)cc21 104361711 573969767 /nfs/dbraw/zinc/96/97/67/573969767.db2.gz FRCQDVQBKBEJKN-SSDOTTSWSA-N 0 0 195.649 2.786 10 0 AFAERN Cc1cc(C(C)C)c(O)c(C=O)c1C 238228451 573969773 /nfs/dbraw/zinc/96/97/73/573969773.db2.gz MADUNGXXVNKXFD-UHFFFAOYSA-N 0 0 192.258 2.945 10 0 AFAERN Cc1cccc2c1NC(=O)[C@@H]2C(C)C 104357274 573969958 /nfs/dbraw/zinc/96/99/58/573969958.db2.gz AZSBXMJDGYWBGC-SNVBAGLBSA-N 0 0 189.258 2.687 10 0 AFAERN CCCCC(=O)[C@@]1(C)C[C@@H]1C 238227838 573969978 /nfs/dbraw/zinc/96/99/78/573969978.db2.gz GIJBPVGEKQGDED-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](C)[C@H](C)n1cccc1C=O 42558292 573970004 /nfs/dbraw/zinc/97/00/04/573970004.db2.gz DLCCANZRDAEMTA-ZJUUUORDSA-N 0 0 179.263 2.908 10 0 AFAERN Cc1ccc2c(c1)[C@H](C(C)C)C(=O)N2 104357246 573970059 /nfs/dbraw/zinc/97/00/59/573970059.db2.gz HKWKOCRXMXIJKL-NSHDSACASA-N 0 0 189.258 2.687 10 0 AFAERN CO[C@H](C)CC(=O)c1sccc1C 127901413 573970085 /nfs/dbraw/zinc/97/00/85/573970085.db2.gz WYZCRPRTQLJKQI-MRVPVSSYSA-N 0 0 198.287 2.664 10 0 AFAERN Cn1cc(Cl)nc1-c1ccccc1 104398058 573972112 /nfs/dbraw/zinc/97/21/12/573972112.db2.gz ZUKGAXYZABGMGM-UHFFFAOYSA-N 0 0 192.649 2.741 10 0 AFAERN CC1(C)CCC[C@H]1CCCO 104392902 573972160 /nfs/dbraw/zinc/97/21/60/573972160.db2.gz CGUYQPPQGFVVGT-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN c1coc(NCC2CCCCC2)n1 104396787 573972175 /nfs/dbraw/zinc/97/21/75/573972175.db2.gz UOLWWNZQFFJIAH-UHFFFAOYSA-N 0 0 180.251 2.667 10 0 AFAERN CC(C)(O)c1cc2cccc(F)c2[nH]1 258192632 573972184 /nfs/dbraw/zinc/97/21/84/573972184.db2.gz NLZCZJUVMUQPCI-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN C[C@@H]1C[C@H](O)c2ccccc2[C@@H]1C 104395440 573972220 /nfs/dbraw/zinc/97/22/20/573972220.db2.gz YJCVSMGHVYRUGR-LNLATYFQSA-N 0 0 176.259 2.863 10 0 AFAERN CCC[C@H]1C[C@H]1CC 104395821 573972235 /nfs/dbraw/zinc/97/22/35/573972235.db2.gz PJCQFBOQOMRARG-SFYZADRCSA-N 0 0 112.216 2.833 10 0 AFAERN CCC[C@@H]1C[C@H]1CC 104395818 573972252 /nfs/dbraw/zinc/97/22/52/573972252.db2.gz PJCQFBOQOMRARG-HTQZYQBOSA-N 0 0 112.216 2.833 10 0 AFAERN CCC[C@H]1C[C@@H]1CC 104395814 573972315 /nfs/dbraw/zinc/97/23/15/573972315.db2.gz PJCQFBOQOMRARG-YUMQZZPRSA-N 0 0 112.216 2.833 10 0 AFAERN CCC(=O)[C@@]12CCCC[C@H]1CC2 238229581 573972686 /nfs/dbraw/zinc/97/26/86/573972686.db2.gz FWSDNYOTXJFONW-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@H]1CC(C)(C)CC(=O)[C@@H]1C 104396105 573972823 /nfs/dbraw/zinc/97/28/23/573972823.db2.gz SRAGAFKBFONZLM-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)[C@@]1(C)[C@H]2CCC=C[C@H]21 238229767 573972827 /nfs/dbraw/zinc/97/28/27/573972827.db2.gz FPHVRMVPHZQOOA-WCABBAIRSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)OC[C@@H]1C[C@H](C)CC[C@@H]1C 104396403 573972862 /nfs/dbraw/zinc/97/28/62/573972862.db2.gz FTMIYDAUOAJGLF-YWVKMMECSA-N 0 0 184.279 2.622 10 0 AFAERN CC(=O)OC[C@@H]1C[C@@H](C)CC[C@@H]1C 104396406 573972869 /nfs/dbraw/zinc/97/28/69/573972869.db2.gz FTMIYDAUOAJGLF-QXEWZRGKSA-N 0 0 184.279 2.622 10 0 AFAERN CC1=C[C@H](C)[C@@H](C)CC1 104395458 573972875 /nfs/dbraw/zinc/97/28/75/573972875.db2.gz WPWQRKXPPCURBJ-IUCAKERBSA-N 0 0 124.227 2.999 10 0 AFAERN CC1=CCCC(C)(C)[C@@]1(C)CO 238229098 573974721 /nfs/dbraw/zinc/97/47/21/573974721.db2.gz UYWMGWYDQRCLKY-NSHDSACASA-N 0 0 168.280 2.751 10 0 AFAERN CC(=O)N[C@@H]1C=C(C)CC[C@@H]1C(C)C 238229247 573974765 /nfs/dbraw/zinc/97/47/65/573974765.db2.gz JOGKSANMISDPTM-VXGBXAGGSA-N 0 0 195.306 2.503 10 0 AFAERN Cc1ccc(O)c2c(O)ccc(C)c12 104395481 573974825 /nfs/dbraw/zinc/97/48/25/573974825.db2.gz HMSPVMIKZQAIQR-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN CC1=CCCCN1C(=O)OC(C)(C)C 238230064 573974922 /nfs/dbraw/zinc/97/49/22/573974922.db2.gz ZZCAUMKGYFSGOP-UHFFFAOYSA-N 0 0 197.278 2.921 10 0 AFAERN C=CC(C)=C(C)C 104396698 573975051 /nfs/dbraw/zinc/97/50/51/573975051.db2.gz KFQWHHUZLDASRR-UHFFFAOYSA-N 0 0 96.173 2.529 10 0 AFAERN CC(=O)c1cc(CC(C)C)ccc1O 104398172 573975095 /nfs/dbraw/zinc/97/50/95/573975095.db2.gz NHTJRQFDSOOUDW-UHFFFAOYSA-N 0 0 192.258 2.793 10 0 AFAERN CCCCC(=O)[C@]1(C)C[C@H]1C 238229198 573975204 /nfs/dbraw/zinc/97/52/04/573975204.db2.gz GIJBPVGEKQGDED-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN CC1(C)CCC[C@@H]1CCCO 104392899 573975235 /nfs/dbraw/zinc/97/52/35/573975235.db2.gz CGUYQPPQGFVVGT-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN C[C@@H]1CC(C)(C)CC(=O)[C@@H]1C 104396103 573975269 /nfs/dbraw/zinc/97/52/69/573975269.db2.gz SRAGAFKBFONZLM-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CC1=CCC(=O)[C@@H](C(C)C)CC1 238229132 573975282 /nfs/dbraw/zinc/97/52/82/573975282.db2.gz SIEAAESJLAIZPE-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CC(=O)N[C@H]1C=C(C)CC[C@@H]1C(C)C 238229200 573975289 /nfs/dbraw/zinc/97/52/89/573975289.db2.gz JOGKSANMISDPTM-NEPJUHHUSA-N 0 0 195.306 2.503 10 0 AFAERN CCC(=O)[C@]1(C)CC=CCC1 238228960 573975328 /nfs/dbraw/zinc/97/53/28/573975328.db2.gz RAYGAFBVCRLFJE-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CCCCC(=S)NC(C)(C)C 238230021 573975791 /nfs/dbraw/zinc/97/57/91/573975791.db2.gz FIUARWDIBACIAZ-UHFFFAOYSA-N 0 0 173.325 2.892 10 0 AFAERN CCC1(CC)O[C@@H](O)C[C@@H]1C(C)C 238229397 573975795 /nfs/dbraw/zinc/97/57/95/573975795.db2.gz MPPABRJTKOADQV-NXEZZACHSA-N 0 0 186.295 2.556 10 0 AFAERN CC1(C)[C@@]23CCCC[C@@]12C(=O)CC3 238229674 573975888 /nfs/dbraw/zinc/97/58/88/573975888.db2.gz KUQKHFFKMDQTPM-NWDGAFQWSA-N 0 0 178.275 2.936 10 0 AFAERN CCc1cc([C@H](C)CO)c(C)cc1F 258194480 573975983 /nfs/dbraw/zinc/97/59/83/573975983.db2.gz XUVSPLQLCYVWPL-SECBINFHSA-N 0 0 196.265 2.792 10 0 AFAERN OC1(c2c(F)ccc3ccoc23)CC1 258194381 573976024 /nfs/dbraw/zinc/97/60/24/573976024.db2.gz XSTPCSCQWBUDAP-UHFFFAOYSA-N 0 0 192.189 2.553 10 0 AFAERN Fc1cccc(Cl)c1-c1c[nH]cn1 104399259 573976100 /nfs/dbraw/zinc/97/61/00/573976100.db2.gz QBWDVISSUVVVCN-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN CCC(=S)OCc1ccccc1 104401901 573976283 /nfs/dbraw/zinc/97/62/83/573976283.db2.gz OIDSZYQULLYRQC-UHFFFAOYSA-N 0 0 180.272 2.941 10 0 AFAERN Cn1ccnc1-c1ccc(Cl)s1 104400673 573978704 /nfs/dbraw/zinc/97/87/04/573978704.db2.gz GHNBSAGGOHAVKF-UHFFFAOYSA-N 0 0 198.678 2.802 10 0 AFAERN CC(C)C(=O)O[C@@H]1CC[C@H]2CCC[C@H]21 256081252 573978733 /nfs/dbraw/zinc/97/87/33/573978733.db2.gz GSLWKPBSLJVOJM-GMTAPVOTSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@H](O)[C@@H]1CCC[C@H]2CCCC[C@H]21 256081517 573977832 /nfs/dbraw/zinc/97/78/32/573977832.db2.gz RWNIDCZYUGZZQU-WHOHXGKFSA-N 0 0 182.307 2.974 10 0 AFAERN CCC[C@@H]1Nc2ccccc2C(=N)O1 238221609 573977855 /nfs/dbraw/zinc/97/78/55/573977855.db2.gz AXJFBAWTMSVQAU-SNVBAGLBSA-N 0 0 190.246 2.580 10 0 AFAERN CC(C)/C=C/[C@@H]1C(=O)[C@H]2CCC[C@H]21 238220452 573977897 /nfs/dbraw/zinc/97/78/97/573977897.db2.gz HUOCFYJNCPISNJ-KNZXHDMPSA-N 0 0 178.275 2.814 10 0 AFAERN COC(=O)C(C)(C)c1sccc1C 259255905 573977951 /nfs/dbraw/zinc/97/79/51/573977951.db2.gz OAPZXGXUCJIERW-UHFFFAOYSA-N 0 0 198.287 2.507 10 0 AFAERN CC(=O)OC[C@@H]1[C@@H](C)C[C@H](C)C[C@H]1C 256081464 573977964 /nfs/dbraw/zinc/97/79/64/573977964.db2.gz OZBOTLMHFMZTGA-QKFYTJHXSA-N 0 0 198.306 2.868 10 0 AFAERN CC[C@H](C)c1ccc(NC=O)cc1 81951532 573978027 /nfs/dbraw/zinc/97/80/27/573978027.db2.gz ZHXIZBXCNMJTMJ-VIFPVBQESA-N 0 0 177.247 2.768 10 0 AFAERN CC(C)/C=C/[C@@H]1C(=O)[C@@H]2CCC[C@@H]12 238220470 573978090 /nfs/dbraw/zinc/97/80/90/573978090.db2.gz HUOCFYJNCPISNJ-ZPYDHZESSA-N 0 0 178.275 2.814 10 0 AFAERN CCC(=O)O[C@@H]1CC[C@@H]2CCC[C@H]21 256081180 573978251 /nfs/dbraw/zinc/97/82/51/573978251.db2.gz BTWFKGTZSZVEEX-IVZWLZJFSA-N 0 0 182.263 2.518 10 0 AFAERN Cc1cc(Cl)ccc1[C@@H]1C[C@H]1CO 235865387 573978299 /nfs/dbraw/zinc/97/82/99/573978299.db2.gz ZBRNZLSBEJPKSB-GZMMTYOYSA-N 0 0 196.677 2.744 10 0 AFAERN CC1(C)C[C@]23CCCC[C@H]2[C@@H]3C1=O 238221464 573978309 /nfs/dbraw/zinc/97/83/09/573978309.db2.gz QVRVACGLKSXKQQ-YGOYTEALSA-N 0 0 178.275 2.792 10 0 AFAERN CC[C@H](C)c1nc(C)c(C)nc1C 104400925 573978367 /nfs/dbraw/zinc/97/83/67/573978367.db2.gz HSWMEKNTOFMUHQ-ZETCQYMHSA-N 0 0 178.279 2.915 10 0 AFAERN Cc1cc(C(C)(C)O)cc(F)c1F 258194275 573978389 /nfs/dbraw/zinc/97/83/89/573978389.db2.gz XRECLFQXCBXLTJ-UHFFFAOYSA-N 0 0 186.201 2.501 10 0 AFAERN C[C@H](O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 256081516 573978400 /nfs/dbraw/zinc/97/84/00/573978400.db2.gz RWNIDCZYUGZZQU-FIQHERPVSA-N 0 0 182.307 2.974 10 0 AFAERN CC1(C)C(=O)CCC[C@H]1C1CC1 238221500 573978414 /nfs/dbraw/zinc/97/84/14/573978414.db2.gz QWQCIFGRFXWQBP-VIFPVBQESA-N 0 0 166.264 2.792 10 0 AFAERN COc1c(SC)cccc1C(C)=O 258194225 573978420 /nfs/dbraw/zinc/97/84/20/573978420.db2.gz XQHBWJJPYJAQRB-UHFFFAOYSA-N 0 0 196.271 2.620 10 0 AFAERN CCC1(C)CCC(CO)CC1 238221958 573978462 /nfs/dbraw/zinc/97/84/62/573978462.db2.gz CFTQNJMQLHCYOE-UHFFFAOYSA-N 0 0 156.269 2.585 10 0 AFAERN COc1cccc(C(C)=O)c1SC 258194186 573978501 /nfs/dbraw/zinc/97/85/01/573978501.db2.gz XPRWCWGRSDMIGL-UHFFFAOYSA-N 0 0 196.271 2.620 10 0 AFAERN CC1(C)CCc2ccc(C=O)cc21 238222070 573978576 /nfs/dbraw/zinc/97/85/76/573978576.db2.gz ZBRIFHRYMMYDSY-UHFFFAOYSA-N 0 0 174.243 2.723 10 0 AFAERN C[C@@H]([NH3+])Sc1ccc(Cl)s1 259256111 573978612 /nfs/dbraw/zinc/97/86/12/573978612.db2.gz PIBFNCXVIJFQDD-BYPYZUCNSA-N 0 0 193.724 2.798 10 0 AFAERN CC(C)C(=O)O[C@@H]1CC[C@@H]2CCC[C@H]21 256081253 573979497 /nfs/dbraw/zinc/97/94/97/573979497.db2.gz GSLWKPBSLJVOJM-HBNTYKKESA-N 0 0 196.290 2.764 10 0 AFAERN CCC1(CC)CC(=O)[C@@]1(C)Cl 238224236 573979546 /nfs/dbraw/zinc/97/95/46/573979546.db2.gz VNZMLDZNNQUQGG-MRVPVSSYSA-N 0 0 174.671 2.763 10 0 AFAERN CCCc1ccn2c1CC(=O)C[C@H]2C 238222761 573979815 /nfs/dbraw/zinc/97/98/15/573979815.db2.gz IPJOEPIZNIANDK-SECBINFHSA-N 0 0 191.274 2.517 10 0 AFAERN CCC(=O)[C@@H](C)C(C)(C)Cl 238222776 573979829 /nfs/dbraw/zinc/97/98/29/573979829.db2.gz SLAGKGHLISJEMI-ZCFIWIBFSA-N 0 0 162.660 2.619 10 0 AFAERN CC1(C)CC[C@@H](O)CC(C)(C)S1 238224188 573979901 /nfs/dbraw/zinc/97/99/01/573979901.db2.gz GUPAOTCQXYTUMP-MRVPVSSYSA-N 0 0 188.336 2.822 10 0 AFAERN CCC1(CC)CC(=O)[C@]1(C)Cl 238224277 573979916 /nfs/dbraw/zinc/97/99/16/573979916.db2.gz VNZMLDZNNQUQGG-QMMMGPOBSA-N 0 0 174.671 2.763 10 0 AFAERN CCc1nc(CC(C)C)cnc1C 104401307 573980025 /nfs/dbraw/zinc/98/00/25/573980025.db2.gz VIDIPDPXUNNFBZ-UHFFFAOYSA-N 0 0 178.279 2.546 10 0 AFAERN Nc1cocc1-c1ccc(F)cc1 258194249 573980051 /nfs/dbraw/zinc/98/00/51/573980051.db2.gz URGPJHRXJJIVGS-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CC1(C)CC[C@@H](O)C2=C1CCC2 238224062 573980091 /nfs/dbraw/zinc/98/00/91/573980091.db2.gz MTIWXUSJZOAXPT-SNVBAGLBSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H](CO)c1cc(F)cc2ccoc12 258194363 573980120 /nfs/dbraw/zinc/98/01/20/573980120.db2.gz XSOPSZMXNNGSRF-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN CCO[C@H](C)[C@@H](O)CC(CC)CC 127971346 573980252 /nfs/dbraw/zinc/98/02/52/573980252.db2.gz IMGORRCBMYLHFM-KOLCDFICSA-N 0 0 188.311 2.599 10 0 AFAERN Fc1c(Cl)cccc1-c1ncc[nH]1 104399659 573980303 /nfs/dbraw/zinc/98/03/03/573980303.db2.gz JIBFIUMBCHGCMY-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN Cc1c(F)cccc1-c1ncc[nH]1 104400716 573980316 /nfs/dbraw/zinc/98/03/16/573980316.db2.gz VTDHCGRTXSBEHE-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN CC/C=C/[C@@H](O)c1cccs1 238223845 573980336 /nfs/dbraw/zinc/98/03/36/573980336.db2.gz WGMCSUPTCAGBRZ-RYEJSQLPSA-N 0 0 168.261 2.748 10 0 AFAERN CCSC[C@H](O)CC(CC)CC 127975661 573983910 /nfs/dbraw/zinc/98/39/10/573983910.db2.gz RRFBVILGHBZDHU-SNVBAGLBSA-N 0 0 190.352 2.927 10 0 AFAERN CC1(C)CC[C@@]2(C)C[C@@H]1CC2=O 238225453 573983298 /nfs/dbraw/zinc/98/32/98/573983298.db2.gz LUZNWNKXPASYQJ-KWQFWETISA-N 0 0 166.264 2.792 10 0 AFAERN CC/C=C/[C@H](O)c1cccs1 238224765 573983311 /nfs/dbraw/zinc/98/33/11/573983311.db2.gz WGMCSUPTCAGBRZ-WGAJWPLOSA-N 0 0 168.261 2.748 10 0 AFAERN CC(=O)c1cc2c(C)coc2cc1O 104452146 573983433 /nfs/dbraw/zinc/98/34/33/573983433.db2.gz XTQVGQHZWFNZHZ-UHFFFAOYSA-N 0 0 190.198 2.649 10 0 AFAERN C=Cc1ccccc1-c1ncccn1 104453258 573983461 /nfs/dbraw/zinc/98/34/61/573983461.db2.gz LDWVORPLQLQQRX-UHFFFAOYSA-N 0 0 182.226 2.787 10 0 AFAERN CCCCC[C@@H](C)Nc1ccncn1 42571758 573983466 /nfs/dbraw/zinc/98/34/66/573983466.db2.gz NAHKOUCBCJTXTI-SNVBAGLBSA-N 0 0 193.294 2.857 10 0 AFAERN CC1(C)C(=O)C[C@H]2CCCC[C@@H]21 238225284 573983491 /nfs/dbraw/zinc/98/34/91/573983491.db2.gz GQDHQUDIEVXOQR-BDAKNGLRSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc(N)c(N)c(C(C)C)c1Cl 238224702 573983567 /nfs/dbraw/zinc/98/35/67/573983567.db2.gz AQYHPMLBSPIOPY-UHFFFAOYSA-N 0 0 198.697 2.936 10 0 AFAERN CCC(=O)[C@@H](C)[Si](C)(C)C 238224513 573983624 /nfs/dbraw/zinc/98/36/24/573983624.db2.gz NPNPCDKMGLZTJI-SSDOTTSWSA-N 0 0 158.317 2.694 10 0 AFAERN CC/C(C)=C/Cl 82055439 573983675 /nfs/dbraw/zinc/98/36/75/573983675.db2.gz KRGLOJFYIVYYDI-SNAWJCMRSA-N 0 0 104.580 2.539 10 0 AFAERN CCC1(CC)CCCC[C@@H]1O 238224609 573983686 /nfs/dbraw/zinc/98/36/86/573983686.db2.gz ASRBXINGVCYXTM-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN CCCSc1cc(O)ccc1O 82034400 573983799 /nfs/dbraw/zinc/98/37/99/573983799.db2.gz OKDNCDQFQBATMD-UHFFFAOYSA-N 0 0 184.260 2.600 10 0 AFAERN CO[C@H](C)CC(=O)C1CCCCC1 127982603 573983816 /nfs/dbraw/zinc/98/38/16/573983816.db2.gz OCCPEFQPYUXLHG-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CC1(C)C(=O)C[C@@H]2C=CCC[C@@H]21 238225185 573983818 /nfs/dbraw/zinc/98/38/18/573983818.db2.gz DTBVVKOAXWQCSJ-IUCAKERBSA-N 0 0 164.248 2.568 10 0 AFAERN CCC(=O)[C@@H]1CC=C(C)C[C@H]1C 238226039 573986615 /nfs/dbraw/zinc/98/66/15/573986615.db2.gz MBTYWVQORAFVRC-NXEZZACHSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1ccc(CC2(CO)CC2)c(C)c1 259259365 573986648 /nfs/dbraw/zinc/98/66/48/573986648.db2.gz XGRDCXBVIBNWEY-UHFFFAOYSA-N 0 0 190.286 2.618 10 0 AFAERN CCc1nc2cc(OC)ccc2s1 104459115 573986671 /nfs/dbraw/zinc/98/66/71/573986671.db2.gz PZJIZQKAYXZMDZ-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN CC1(C)C(=O)C[C@@H]2CCCC[C@@H]21 238225328 573985953 /nfs/dbraw/zinc/98/59/53/573985953.db2.gz GQDHQUDIEVXOQR-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(=O)[C@@H]1C(=C(C)C)C1(C)C 238225785 573985973 /nfs/dbraw/zinc/98/59/73/573985973.db2.gz WZOANBIZTDFIDC-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@@H](C)c1ccc(NC(N)=O)cc1 82049461 573985985 /nfs/dbraw/zinc/98/59/85/573985985.db2.gz HQJMTIFKRFSCFP-MRVPVSSYSA-N 0 0 192.262 2.691 10 0 AFAERN CC1(C)C(=O)[C@H]2CC/C=C/CC[C@@H]21 238225138 573986016 /nfs/dbraw/zinc/98/60/16/573986016.db2.gz YRNVLWPBQCJJRU-OHINUGQQSA-N 0 0 178.275 2.958 10 0 AFAERN O=C1CCC(Nc2ccccc2)CC1 82043517 573986054 /nfs/dbraw/zinc/98/60/54/573986054.db2.gz ZQUXUTJUZRBDCJ-UHFFFAOYSA-N 0 0 189.258 2.610 10 0 AFAERN CC1(C)C(=O)C12CCCCC2 238230443 573986458 /nfs/dbraw/zinc/98/64/58/573986458.db2.gz QUWXTKPGWLNEOE-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CC1(C)CC[C@H](CO)C(C)(C)C1 238226312 573986514 /nfs/dbraw/zinc/98/65/14/573986514.db2.gz IQIUZFBWJQTLRB-SECBINFHSA-N 0 0 170.296 2.831 10 0 AFAERN CC1(C)Cc2cc(Cl)ccc2[C@H]1O 104457038 573987018 /nfs/dbraw/zinc/98/70/18/573987018.db2.gz SRRVQGVRBORZMF-SNVBAGLBSA-N 0 0 196.677 2.956 10 0 AFAERN CC1(C)C(=O)C(C)(C)[C@H]2CC[C@@H]21 238226628 573987069 /nfs/dbraw/zinc/98/70/69/573987069.db2.gz RNXMREIWQLXNCE-YUMQZZPRSA-N 0 0 166.264 2.648 10 0 AFAERN Oc1ccc2c(=S)cc[nH]c2c1 82114301 573987090 /nfs/dbraw/zinc/98/70/90/573987090.db2.gz OOUUBIVSARAYAG-UHFFFAOYSA-N 0 0 177.228 2.603 10 0 AFAERN Cc1cccc(-c2ccc(N)c(N)c2)c1 258196416 573987149 /nfs/dbraw/zinc/98/71/49/573987149.db2.gz WJLHKPXJLJQGST-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CCOC(=O)C(C)=C(CC)CC 82183550 573987230 /nfs/dbraw/zinc/98/72/30/573987230.db2.gz SNUSNKHVMGZUMF-UHFFFAOYSA-N 0 0 170.252 2.686 10 0 AFAERN O[C@H](CF)c1cccc2ccccc12 82127507 573987300 /nfs/dbraw/zinc/98/73/00/573987300.db2.gz SWDXEHMSTNIZJR-GFCCVEGCSA-N 0 0 190.217 2.843 10 0 AFAERN CCCc1cc(Cl)nnc1Cl 104456786 573987306 /nfs/dbraw/zinc/98/73/06/573987306.db2.gz LIFXSPSMIVWHHP-UHFFFAOYSA-N 0 0 191.061 2.736 10 0 AFAERN COc1ccc2cc(C)ccc2n1 104461617 573987390 /nfs/dbraw/zinc/98/73/90/573987390.db2.gz GAOWTTLKZBJUOS-UHFFFAOYSA-N 0 0 173.215 2.552 10 0 AFAERN Cc1ccc2c(c1)CC(C)(C)[C@H]2O 104457051 573987408 /nfs/dbraw/zinc/98/74/08/573987408.db2.gz DCLSJRZAYDBNDJ-NSHDSACASA-N 0 0 176.259 2.611 10 0 AFAERN CCC(CC)C(=O)C[C@H]1CCCCO1 128005693 573987437 /nfs/dbraw/zinc/98/74/37/573987437.db2.gz ZHHNCIKHFUOWLT-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CC1(C)Cc2c(F)ccc(F)c2[C@H]1O 104457600 573987603 /nfs/dbraw/zinc/98/76/03/573987603.db2.gz MNEBJNDCDOFEOC-SNVBAGLBSA-N 0 0 198.212 2.581 10 0 AFAERN Cc1ccc2c(c1)CC(C)(C)[C@@H]2O 104457049 573987609 /nfs/dbraw/zinc/98/76/09/573987609.db2.gz DCLSJRZAYDBNDJ-LLVKDONJSA-N 0 0 176.259 2.611 10 0 AFAERN CC(C)CC[C@H](C)C(=O)NC(C)C 214730875 573989504 /nfs/dbraw/zinc/98/95/04/573989504.db2.gz ZLRARHQJLBFENK-JTQLQIEISA-N 0 0 185.311 2.583 10 0 AFAERN Cc1nc2c(F)cc(F)cc2s1 104460442 573989522 /nfs/dbraw/zinc/98/95/22/573989522.db2.gz BUVNBMMOKZUJIZ-UHFFFAOYSA-N 0 0 185.198 2.883 10 0 AFAERN CCOCc1cc2ccc(O)cc2o1 258196737 573989651 /nfs/dbraw/zinc/98/96/51/573989651.db2.gz ZZNMFRUWQZFLJC-UHFFFAOYSA-N 0 0 192.214 2.675 10 0 AFAERN CC1(C)Cc2c(ccc(F)c2F)[C@H]1O 104457073 573989702 /nfs/dbraw/zinc/98/97/02/573989702.db2.gz SCIMPWTYJWOBTL-SNVBAGLBSA-N 0 0 198.212 2.581 10 0 AFAERN CCC(=O)[C@@H]1CCC2=C1CCC2 238226156 573989042 /nfs/dbraw/zinc/98/90/42/573989042.db2.gz CHDBGOFYMUICAH-SNVBAGLBSA-N 0 0 164.248 2.856 10 0 AFAERN CCCP[C@@H](CO)c1ccccc1 238226265 573989064 /nfs/dbraw/zinc/98/90/64/573989064.db2.gz FPLGSCPNJPTOEZ-NSHDSACASA-N 0 0 196.230 2.809 10 0 AFAERN CC1(C)Cc2c(ccc(F)c2F)C1=O 104462007 573989076 /nfs/dbraw/zinc/98/90/76/573989076.db2.gz DLCHKGYPYWLJFM-UHFFFAOYSA-N 0 0 196.196 2.730 10 0 AFAERN CCC(=O)[C@@H]1CCCC=C1Cl 238226332 573989078 /nfs/dbraw/zinc/98/90/78/573989078.db2.gz ZZIOYNZNIRFIQC-SSDOTTSWSA-N 0 0 172.655 2.888 10 0 AFAERN CC1=CCCC[C@H]1C(=O)C1CC1 238230740 573989160 /nfs/dbraw/zinc/98/91/60/573989160.db2.gz ICPJAABHAVZGLR-SNVBAGLBSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=CC2=CC=C3OC[C@@H](CC1)[C@@H]23 238226016 573989169 /nfs/dbraw/zinc/98/91/69/573989169.db2.gz RSIGKOCSOQSEMG-ZYHUDNBSSA-N 0 0 174.243 2.813 10 0 AFAERN CCC(=O)[C@@H]1CC=C(C)C[C@@H]1C 238226029 573989260 /nfs/dbraw/zinc/98/92/60/573989260.db2.gz MBTYWVQORAFVRC-VHSXEESVSA-N 0 0 166.264 2.958 10 0 AFAERN CCC[C@@](C)(CO)CCCSC 131799386 573989277 /nfs/dbraw/zinc/98/92/77/573989277.db2.gz CJKOFWVOWKGYEM-SNVBAGLBSA-N 0 0 190.352 2.928 10 0 AFAERN CCSCCC1(CO)CCCC1 131798194 573989301 /nfs/dbraw/zinc/98/93/01/573989301.db2.gz OPWWDFCVEUFAKL-UHFFFAOYSA-N 0 0 188.336 2.682 10 0 AFAERN CC(C)[C@H]1CC(=O)C12CCCC2 238225919 573989304 /nfs/dbraw/zinc/98/93/04/573989304.db2.gz AZOCUWUCAPPNDK-SECBINFHSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)Cc2c(F)cccc2C1=O 104461333 573989360 /nfs/dbraw/zinc/98/93/60/573989360.db2.gz VCFMEEPQKIJWEV-UHFFFAOYSA-N 0 0 178.206 2.591 10 0 AFAERN CCC(CC)C(=O)C[C@@H]1CCCCO1 128005479 573989389 /nfs/dbraw/zinc/98/93/89/573989389.db2.gz ZHHNCIKHFUOWLT-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN CCNCC(F)(F)c1cccc(C)c1 131795348 573989398 /nfs/dbraw/zinc/98/93/98/573989398.db2.gz WZVJCXULNSQXOS-UHFFFAOYSA-N 0 0 199.244 2.696 10 0 AFAERN Nc1c(Cl)csc1Cl 82131649 573989425 /nfs/dbraw/zinc/98/94/25/573989425.db2.gz QLJSUUBRZSKZPR-UHFFFAOYSA-N 0 0 168.048 2.637 10 0 AFAERN Cc1[nH]c2cc([C@@H](C)O)ccc2c1C 258196645 573990092 /nfs/dbraw/zinc/99/00/92/573990092.db2.gz YAWMNNNMADHTPC-SECBINFHSA-N 0 0 189.258 2.838 10 0 AFAERN Cc1[nH]c2cc([C@H](C)O)ccc2c1C 258196648 573990108 /nfs/dbraw/zinc/99/01/08/573990108.db2.gz YAWMNNNMADHTPC-VIFPVBQESA-N 0 0 189.258 2.838 10 0 AFAERN CC(C)C[C@H]1NC(=O)C[C@]1(C)C(C)C 85137345 573990130 /nfs/dbraw/zinc/99/01/30/573990130.db2.gz RLMHNZUDMQYAFC-ZYHUDNBSSA-N 0 0 197.322 2.583 10 0 AFAERN Cc1ccc([C@@H](C)CO)cc1Cl 82187007 573990142 /nfs/dbraw/zinc/99/01/42/573990142.db2.gz OSWGPSFKJCHZJR-QMMMGPOBSA-N 0 0 184.666 2.744 10 0 AFAERN CCC[C@](C)(O)C1CCCC1 87648843 573990165 /nfs/dbraw/zinc/99/01/65/573990165.db2.gz GCIXCOCOMWJNHY-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@H](O)c1sccc1Cl 87623235 573990180 /nfs/dbraw/zinc/99/01/80/573990180.db2.gz GVSUHHHCJFXEBD-LURJTMIESA-N 0 0 176.668 2.845 10 0 AFAERN CCSc1ccc(O)c(OC)c1 82216780 573990215 /nfs/dbraw/zinc/99/02/15/573990215.db2.gz GPGCVQSPXCEYRS-UHFFFAOYSA-N 0 0 184.260 2.513 10 0 AFAERN CC1(C)Cc2c(Cl)cccc2[C@@H]1O 104462961 573990319 /nfs/dbraw/zinc/99/03/19/573990319.db2.gz VHISKXUZQJOOCI-JTQLQIEISA-N 0 0 196.677 2.956 10 0 AFAERN Cc1cccc2c1CC(C)(C)[C@H]2O 104462979 573990355 /nfs/dbraw/zinc/99/03/55/573990355.db2.gz ITUXPNGYZKMUSO-NSHDSACASA-N 0 0 176.259 2.611 10 0 AFAERN C[C@H](O)Cc1ccc(C2CC2)c(F)c1 258196571 573990482 /nfs/dbraw/zinc/99/04/82/573990482.db2.gz XZOHQENXTUXIGY-QMMMGPOBSA-N 0 0 194.249 2.626 10 0 AFAERN CC(C)C[C@@H]1NC(=O)C[C@@]1(C)C(C)C 85137348 573990502 /nfs/dbraw/zinc/99/05/02/573990502.db2.gz RLMHNZUDMQYAFC-JQWIXIFHSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)c1ccc([C@H](C)CO)c(O)c1 258196496 573990519 /nfs/dbraw/zinc/99/05/19/573990519.db2.gz XXYSUAHMPAOEKB-SECBINFHSA-N 0 0 194.274 2.611 10 0 AFAERN CCC(=O)[C@H]1CC=C(C)C[C@@H]1C 238233248 573990562 /nfs/dbraw/zinc/99/05/62/573990562.db2.gz MBTYWVQORAFVRC-UWVGGRQHSA-N 0 0 166.264 2.958 10 0 AFAERN CCC[C@@](C)(O)c1ccsc1 87648774 573990567 /nfs/dbraw/zinc/99/05/67/573990567.db2.gz KKEGYHPNFMJTKI-SECBINFHSA-N 0 0 170.277 2.756 10 0 AFAERN ONCc1cccc(C2CCCC2)c1 258196574 573990583 /nfs/dbraw/zinc/99/05/83/573990583.db2.gz XZQWZPDRZGVMLR-UHFFFAOYSA-N 0 0 191.274 2.823 10 0 AFAERN CC[C@@H](C)CC(=O)C[C@@H]1CCCCO1 128015170 573990625 /nfs/dbraw/zinc/99/06/25/573990625.db2.gz PJQVJXJAZXURMA-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CC1(C)C[C@@H](c2ccc(O)cc2)CO1 238233701 573990648 /nfs/dbraw/zinc/99/06/48/573990648.db2.gz RTWZKTUWGKZLMW-SNVBAGLBSA-N 0 0 192.258 2.675 10 0 AFAERN CC1(C)C[C@@H](O)CCc2ccccc21 238233146 573990674 /nfs/dbraw/zinc/99/06/74/573990674.db2.gz BKWGCTANPCAGDG-NSHDSACASA-N 0 0 190.286 2.661 10 0 AFAERN CC[C@@H](C)C(=O)C[C@@H]1CCCCO1 128012361 573990696 /nfs/dbraw/zinc/99/06/96/573990696.db2.gz FOJKJGQRVUXUJY-ZJUUUORDSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)[C@H]1CCCC=C1C 238233543 573990781 /nfs/dbraw/zinc/99/07/81/573990781.db2.gz GYLREZVKMNZYFE-VIFPVBQESA-N 0 0 152.237 2.712 10 0 AFAERN CC1(C)C[C@@H]2C(=O)CC[C@@]2(C)C1 238233970 573990791 /nfs/dbraw/zinc/99/07/91/573990791.db2.gz YBPGOZKFBOCACN-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc(-c2ncc[nH]2)c(C)c1 104463170 573990805 /nfs/dbraw/zinc/99/08/05/573990805.db2.gz IGJYZHOQYHTURH-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CC1=CCC[C@@]2(C)C(=O)CC[C@H]12 238233604 573990817 /nfs/dbraw/zinc/99/08/17/573990817.db2.gz XPCIJHPKPUBYIB-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN Clc1cnc2cc(C3CC3)ccn12 104464242 573990823 /nfs/dbraw/zinc/99/08/23/573990823.db2.gz 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/nfs/dbraw/zinc/99/26/44/573992644.db2.gz SCNCLSAMDRDHRS-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN CCC(=O)[C@H]1CCC=C[C@@H]1C 238233491 573992715 /nfs/dbraw/zinc/99/27/15/573992715.db2.gz DCCLWXBHVLWBOV-IUCAKERBSA-N 0 0 152.237 2.568 10 0 AFAERN CCC(=O)[C@H]1CCCC=C1Cl 238233568 573992723 /nfs/dbraw/zinc/99/27/23/573992723.db2.gz ZZIOYNZNIRFIQC-ZETCQYMHSA-N 0 0 172.655 2.888 10 0 AFAERN CC1(C)c2c(O)ccc(O)c2C1(C)C 238233848 573992759 /nfs/dbraw/zinc/99/27/59/573992759.db2.gz CHJSLOHIAVWJHU-UHFFFAOYSA-N 0 0 192.258 2.667 10 0 AFAERN FC(F)C(Cl)(Cl)Cl 104466005 573992806 /nfs/dbraw/zinc/99/28/06/573992806.db2.gz RDTZCQIUXDONLZ-UHFFFAOYSA-N 0 0 169.385 2.622 10 0 AFAERN CC(C)C[C@H]1NC(=O)C[C@@]1(C)C(C)C 85137347 573992851 /nfs/dbraw/zinc/99/28/51/573992851.db2.gz RLMHNZUDMQYAFC-PWSUYJOCSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(F)(F)[C@H](N)c1ccccc1 104463174 573992873 /nfs/dbraw/zinc/99/28/73/573992873.db2.gz YXSTTWWBZDQUBD-SECBINFHSA-N 0 0 185.217 2.732 10 0 AFAERN CCC(=O)[C@H]1CCC=C[C@H]1C 238233510 573992929 /nfs/dbraw/zinc/99/29/29/573992929.db2.gz DCCLWXBHVLWBOV-BDAKNGLRSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1cccc2c1CC(C)(C)[C@@H]2O 104462975 573992977 /nfs/dbraw/zinc/99/29/77/573992977.db2.gz ITUXPNGYZKMUSO-LLVKDONJSA-N 0 0 176.259 2.611 10 0 AFAERN CC1(C)Cc2c(F)cc(F)cc2C1=O 104462011 573993066 /nfs/dbraw/zinc/99/30/66/573993066.db2.gz ZOZFNKDXFOAPEG-UHFFFAOYSA-N 0 0 196.196 2.730 10 0 AFAERN CC(=O)c1ccc2[nH]c(C)cc2c1 104462200 573993115 /nfs/dbraw/zinc/99/31/15/573993115.db2.gz COJPDXUTLVSMQN-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC=S 238233024 573993158 /nfs/dbraw/zinc/99/31/58/573993158.db2.gz DCWXUNDIMMXFTK-MXWKQRLJSA-N 0 0 199.363 2.994 10 0 AFAERN CCCc1nc(Cl)c2n1CCCC2 258197424 573993933 /nfs/dbraw/zinc/99/39/33/573993933.db2.gz JFLITXJAROSSER-UHFFFAOYSA-N 0 0 198.697 2.825 10 0 AFAERN CCC(CC)CC(=O)C1CCOCC1 127907628 573993972 /nfs/dbraw/zinc/99/39/72/573993972.db2.gz WDMBPBMEFCQYGJ-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCC(CC)C[C@H](O)c1cccnc1 127940884 573997511 /nfs/dbraw/zinc/99/75/11/573997511.db2.gz KRJNSPCQHKNFCE-LBPRGKRZSA-N 0 0 193.290 2.941 10 0 AFAERN CO[C@H](C)CC(=O)CC1CCCC1 127905876 573997584 /nfs/dbraw/zinc/99/75/84/573997584.db2.gz RQTPFWNUTRGVSP-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@H]1CNc2c(O)cccc2SC1 259262588 573993426 /nfs/dbraw/zinc/99/34/26/573993426.db2.gz OMIUFYHFIVSOCO-SSDOTTSWSA-N 0 0 195.287 2.546 10 0 AFAERN CC1(C)Cc2c(Cl)cccc2[C@H]1O 104462965 573993464 /nfs/dbraw/zinc/99/34/64/573993464.db2.gz VHISKXUZQJOOCI-SNVBAGLBSA-N 0 0 196.677 2.956 10 0 AFAERN C[C@H]1CNc2c(O)cccc2SC1 259262590 573993522 /nfs/dbraw/zinc/99/35/22/573993522.db2.gz OMIUFYHFIVSOCO-ZETCQYMHSA-N 0 0 195.287 2.546 10 0 AFAERN Clc1cnc2c(C3CC3)cccn12 104463451 573993538 /nfs/dbraw/zinc/99/35/38/573993538.db2.gz AVSMMGXNTNWYTH-UHFFFAOYSA-N 0 0 192.649 2.865 10 0 AFAERN CCC(CC)CC(=O)[C@@]1(C)CCCO1 127922207 573993649 /nfs/dbraw/zinc/99/36/49/573993649.db2.gz ZBJARGMPGXWSIX-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC1(C)Cc2cc(F)cc(F)c2C1=O 104462367 573993682 /nfs/dbraw/zinc/99/36/82/573993682.db2.gz HBVIWFCDAJKLBJ-UHFFFAOYSA-N 0 0 196.196 2.730 10 0 AFAERN CCC(CC)CC(=O)[C@H]1CCCOC1 127908098 573993790 /nfs/dbraw/zinc/99/37/90/573993790.db2.gz RUHPPVLPUFNBBG-NSHDSACASA-N 0 0 198.306 2.808 10 0 AFAERN CCC(CC)CC(=O)C(C)(C)OC 127916904 573993865 /nfs/dbraw/zinc/99/38/65/573993865.db2.gz WDMRGJHLOPXNCB-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)[C@H]1CC[C@@H]([C@H](C)O)CC1 238235256 573995263 /nfs/dbraw/zinc/99/52/63/573995263.db2.gz NEHPIUGJDUWSRR-DCAQKATOSA-N 0 0 170.296 2.830 10 0 AFAERN c1cc(-c2ncc[nH]2)c2cc[nH]c2c1 104469858 573995292 /nfs/dbraw/zinc/99/52/92/573995292.db2.gz LOEVFDDGZGDOMK-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN CCC[C@@]1(C)C=CCCC1=O 238235479 573994560 /nfs/dbraw/zinc/99/45/60/573994560.db2.gz PWOQBZPXQGDBLZ-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN O=C(CCC1CC1)C[C@@H]1CCCCO1 128019785 573994660 /nfs/dbraw/zinc/99/46/60/573994660.db2.gz 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/nfs/dbraw/zinc/99/48/55/573994855.db2.gz AZORDEHSMAFWBH-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CCC(CC)CC(=O)[C@]1(C)CCCO1 127921939 573994861 /nfs/dbraw/zinc/99/48/61/573994861.db2.gz ZBJARGMPGXWSIX-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(CC)CC(=O)[C@@H]1CCCOC1 127907889 573994871 /nfs/dbraw/zinc/99/48/71/573994871.db2.gz RUHPPVLPUFNBBG-LLVKDONJSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1ccc2c(c1Cl)OCCC2=O 104475041 573994895 /nfs/dbraw/zinc/99/48/95/573994895.db2.gz HFVMZIPZIDHESS-UHFFFAOYSA-N 0 0 196.633 2.614 10 0 AFAERN CC1(C)CC(=O)[C@@H]2C=CC[C@H]2C1 238234594 573994913 /nfs/dbraw/zinc/99/49/13/573994913.db2.gz JKUYHSHRDAXIPD-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN CCC[C@@H](C)CS[C@@H](C)CCO 85146586 573994955 /nfs/dbraw/zinc/99/49/55/573994955.db2.gz ZOFFOADPXPOPAN-ZJUUUORDSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1cc2c(c(F)c1F)C(=O)CCC2 104474879 573994980 /nfs/dbraw/zinc/99/49/80/573994980.db2.gz YUGKDFOIEOLEQU-UHFFFAOYSA-N 0 0 196.196 2.792 10 0 AFAERN CCc1c(F)c(F)cc2c1C(=O)CC2 104473912 573995107 /nfs/dbraw/zinc/99/51/07/573995107.db2.gz PHQYITBDGTZMKD-UHFFFAOYSA-N 0 0 196.196 2.656 10 0 AFAERN CC1(C)C(=C=C2CCCC2)[C@H]1CO 238234839 573995112 /nfs/dbraw/zinc/99/51/12/573995112.db2.gz SUNVKTKCTGUEEU-LLVKDONJSA-N 0 0 178.275 2.660 10 0 AFAERN CC1=NC(c2ccc[nH]2)SC1=S 259261637 573995119 /nfs/dbraw/zinc/99/51/19/573995119.db2.gz KWRNQQUNUADVAK-UHFFFAOYSA-N 0 0 196.300 2.735 10 0 AFAERN Clc1cn2cccc(C3CC3)c2n1 104470998 573997650 /nfs/dbraw/zinc/99/76/50/573997650.db2.gz LWMGWYNUNNJFKH-UHFFFAOYSA-N 0 0 192.649 2.865 10 0 AFAERN C/C=C\Cn1ccc(C(=O)CC)c1 211390991 573997676 /nfs/dbraw/zinc/99/76/76/573997676.db2.gz JWCUCBJXODUFOZ-HYXAFXHYSA-N 0 0 177.247 2.657 10 0 AFAERN CCCc1csc([C@@H](CC)CO)n1 259265193 573997970 /nfs/dbraw/zinc/99/79/70/573997970.db2.gz OLPFZALUGYTGKX-QMMMGPOBSA-N 0 0 199.319 2.582 10 0 AFAERN CCC(=O)[C@]12CCCC[C@H]1CC2 238237047 573998074 /nfs/dbraw/zinc/99/80/74/573998074.db2.gz FWSDNYOTXJFONW-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CCC(=O)[C@@]1(C)CC=CCC1 238236450 573998105 /nfs/dbraw/zinc/99/81/05/573998105.db2.gz RAYGAFBVCRLFJE-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN CCC[C@H]1OCc2cc(O)ccc21 238237014 573998132 /nfs/dbraw/zinc/99/81/32/573998132.db2.gz ABZGQFRCPBXVBS-LLVKDONJSA-N 0 0 178.231 2.764 10 0 AFAERN CCC[C@@]1(C)CCCC[C@H]1O 238235878 573998199 /nfs/dbraw/zinc/99/81/99/573998199.db2.gz VEIZANUPOMYBAU-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN c1ccc(OCCc2ccccn2)cc1 85149486 573998216 /nfs/dbraw/zinc/99/82/16/573998216.db2.gz HDCZPCKNIMCERD-UHFFFAOYSA-N 0 0 199.253 2.703 10 0 AFAERN CO[C@H](C)CC(=O)c1cccc(C)c1 127943685 573998222 /nfs/dbraw/zinc/99/82/22/573998222.db2.gz LNKPFZYMMTVAIC-SNVBAGLBSA-N 0 0 192.258 2.603 10 0 AFAERN CCC(=O)[C@]12CCCC[C@@H]1CC2 238237011 574000457 /nfs/dbraw/zinc/00/04/57/574000457.db2.gz FWSDNYOTXJFONW-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)[C@H]1CC[C@H](C)C=C1CCO 238236610 574000462 /nfs/dbraw/zinc/00/04/62/574000462.db2.gz FCWJGWZSUHTNPT-CMPLNLGQSA-N 0 0 182.307 2.997 10 0 AFAERN CCC[C@@]1(C)CCCC(=O)C1 238235805 574000484 /nfs/dbraw/zinc/00/04/84/574000484.db2.gz ILFHYIVYKILILU-JTQLQIEISA-N 0 0 154.253 2.936 10 0 AFAERN Cc1ccc(-c2cccnn2)s1 259264093 574000493 /nfs/dbraw/zinc/00/04/93/574000493.db2.gz APSPUMNMJBROJO-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN CONCc1cc([C@@H](C)F)ccc1C 258198803 574000528 /nfs/dbraw/zinc/00/05/28/574000528.db2.gz YDMRJDBJTSREJF-SECBINFHSA-N 0 0 197.253 2.677 10 0 AFAERN Cc1ccc2c(c1)NCC1(CCC1)O2 259304338 574000567 /nfs/dbraw/zinc/00/05/67/574000567.db2.gz QYAFUMCDWNBSEU-UHFFFAOYSA-N 0 0 189.258 2.722 10 0 AFAERN COC(=O)[C@H](CCC(C)C)C(C)C 259265653 574000588 /nfs/dbraw/zinc/00/05/88/574000588.db2.gz IRYUOJPKIOJQPK-SNVBAGLBSA-N 0 0 186.295 2.868 10 0 AFAERN Cc1ccc(CF)cc1[C@@H](C)CO 258198743 574000610 /nfs/dbraw/zinc/00/06/10/574000610.db2.gz YCAYNDXRKOHDFG-VIFPVBQESA-N 0 0 182.238 2.560 10 0 AFAERN CCN1c2cccc(C)c2NC[C@@H]1C 259265541 574000733 /nfs/dbraw/zinc/00/07/33/574000733.db2.gz OPVHUJRPYFVVDL-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN Cc1ccc(C(C)C)cc1OC(N)=O 238235884 574000750 /nfs/dbraw/zinc/00/07/50/574000750.db2.gz LVJGASHSZYVQIZ-UHFFFAOYSA-N 0 0 193.246 2.576 10 0 AFAERN Cc1ccc(CF)cc1[C@H](C)CO 258198741 574002379 /nfs/dbraw/zinc/00/23/79/574002379.db2.gz YCAYNDXRKOHDFG-SECBINFHSA-N 0 0 182.238 2.560 10 0 AFAERN CCCc1cc(Cl)c2nc[nH]c2n1 238238013 574002456 /nfs/dbraw/zinc/00/24/56/574002456.db2.gz YVFLQPWRUYNQPN-UHFFFAOYSA-N 0 0 195.653 2.564 10 0 AFAERN CC1=CC[C@@H](CCO)C(C)(C)C1 238237508 574002517 /nfs/dbraw/zinc/00/25/17/574002517.db2.gz JUDJWVHCFBQMQO-JTQLQIEISA-N 0 0 168.280 2.751 10 0 AFAERN CCC(=O)c1c(Cl)cccc1OC 238238507 574002588 /nfs/dbraw/zinc/00/25/88/574002588.db2.gz ZLUAOJMYVOWBPD-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CC1(C)C[C@H](C2CCCCC2)O[C@H]1O 238238687 574002685 /nfs/dbraw/zinc/00/26/85/574002685.db2.gz FGNICKTUXBBPQH-GHMZBOCLSA-N 0 0 198.306 2.700 10 0 AFAERN CCC1=C(CC)[C@H]2C(=O)CC[C@H]12 238237839 574002799 /nfs/dbraw/zinc/00/27/99/574002799.db2.gz LIBXESMFUDLARP-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CC1(C)[C@H](O)[C@@]2(C)CC[C@@H]1C2(C)C 238237334 574002971 /nfs/dbraw/zinc/00/29/71/574002971.db2.gz QRVIKIYQABFBFF-HOTUBEGUSA-N 0 0 182.307 2.830 10 0 AFAERN CCC(=O)c1c(CC)ccc(C)c1O 238238811 574003924 /nfs/dbraw/zinc/00/39/24/574003924.db2.gz DGXZFDWLCZIRED-UHFFFAOYSA-N 0 0 192.258 2.856 10 0 AFAERN CC1=CC[C@@H]2CCC[C@H](C1)C2=O 238238782 574003942 /nfs/dbraw/zinc/00/39/42/574003942.db2.gz FIGMGRMODHHAQQ-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN CCC1=C(CC)[C@@H]2C(=O)CC[C@H]12 238238054 574003985 /nfs/dbraw/zinc/00/39/85/574003985.db2.gz LIBXESMFUDLARP-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CCC1=C(CC)C(C)(C)[C@@H]1O 238237621 574003991 /nfs/dbraw/zinc/00/39/91/574003991.db2.gz XJNCEMZYQYUOJD-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CCC(=O)c1c(O)cc(C)cc1CC 238238850 574004010 /nfs/dbraw/zinc/00/40/10/574004010.db2.gz AUWVHDQKVKZHAY-UHFFFAOYSA-N 0 0 192.258 2.856 10 0 AFAERN CC[C@H](C)OCc1ccccc1N 48263908 574004097 /nfs/dbraw/zinc/00/40/97/574004097.db2.gz NVESGKRDTRLEKR-VIFPVBQESA-N 0 0 179.263 2.584 10 0 AFAERN OC1(c2c(F)ccc3occc23)CC1 258198821 574004107 /nfs/dbraw/zinc/00/41/07/574004107.db2.gz YEDBBCDXTSHZDB-UHFFFAOYSA-N 0 0 192.189 2.553 10 0 AFAERN CCC1=C(CC)[C@@H]2CCC(=O)[C@H]12 238237894 574004159 /nfs/dbraw/zinc/00/41/59/574004159.db2.gz LIBXESMFUDLARP-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cccc(-c2ccn(C)c2N)c1 258200637 574004166 /nfs/dbraw/zinc/00/41/66/574004166.db2.gz VEFNYHNGOMRDRU-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN C=Cc1cc(CCC)ccn1 209772631 574004226 /nfs/dbraw/zinc/00/42/26/574004226.db2.gz RGXOEUUIQKMIMC-UHFFFAOYSA-N 0 0 147.221 2.677 10 0 AFAERN CC(=O)Cc1ccc(C(C)C)c(O)c1 238237932 574004240 /nfs/dbraw/zinc/00/42/40/574004240.db2.gz CATOWYDMLSSULR-UHFFFAOYSA-N 0 0 192.258 2.647 10 0 AFAERN CC[C@H](C)OCc1cc(F)ccc1N 48263998 574004296 /nfs/dbraw/zinc/00/42/96/574004296.db2.gz BFCPWCUZUPEHSM-QMMMGPOBSA-N 0 0 197.253 2.723 10 0 AFAERN CCCC(=O)N1CC[C@H]2CCCC[C@H]21 111248714 574004329 /nfs/dbraw/zinc/00/43/29/574004329.db2.gz DXMRZMRONMBEFE-GHMZBOCLSA-N 0 0 195.306 2.578 10 0 AFAERN C=Cc1cncc(CCC)c1 209772896 574004335 /nfs/dbraw/zinc/00/43/35/574004335.db2.gz ZPANVSYYTKTTOY-UHFFFAOYSA-N 0 0 147.221 2.677 10 0 AFAERN C=Cc1ccc(CCC)cn1 209772762 574004442 /nfs/dbraw/zinc/00/44/42/574004442.db2.gz WHMSIVWKUGVDBF-UHFFFAOYSA-N 0 0 147.221 2.677 10 0 AFAERN CCCC(=O)c1cc(N)c(C)cc1C 238245438 574004726 /nfs/dbraw/zinc/00/47/26/574004726.db2.gz NFORTXKJJNJUSM-UHFFFAOYSA-N 0 0 191.274 2.868 10 0 AFAERN CC1(C)C[C@@]2(C)CCCC(=O)[C@H]12 238245540 574004737 /nfs/dbraw/zinc/00/47/37/574004737.db2.gz GXVPLICMIIYEMM-MWLCHTKSSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@@H]1CSc2cccc(F)c21 258199816 574004999 /nfs/dbraw/zinc/00/49/99/574004999.db2.gz ULQSGDJTACFWIX-ZETCQYMHSA-N 0 0 196.246 2.604 10 0 AFAERN CC[C@@H](C)OCc1cccc(N)c1C 48264000 574005068 /nfs/dbraw/zinc/00/50/68/574005068.db2.gz MLUQNWKHUDVMTB-SECBINFHSA-N 0 0 193.290 2.892 10 0 AFAERN C=Cc1cccc(CCC)n1 209772723 574005098 /nfs/dbraw/zinc/00/50/98/574005098.db2.gz AXETUZMTKHPTPY-UHFFFAOYSA-N 0 0 147.221 2.677 10 0 AFAERN CCC[C@@H]1C(=O)CC[C@@H]1CC 238239653 574005136 /nfs/dbraw/zinc/00/51/36/574005136.db2.gz UILPJNWHEQUWLN-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CC1(C)C=C(c2ccccc2)[C@@H](O)C1 238239831 574005142 /nfs/dbraw/zinc/00/51/42/574005142.db2.gz ZUJHVFNBLBPGTN-LBPRGKRZSA-N 0 0 188.270 2.861 10 0 AFAERN CCC(=O)c1c(O)cccc1Cl 238239199 574005161 /nfs/dbraw/zinc/00/51/61/574005161.db2.gz ZVRKPLMTYDKNOG-UHFFFAOYSA-N 0 0 184.622 2.638 10 0 AFAERN CC(=O)Nc1c(C)ccc(C)c1C 197863630 574005191 /nfs/dbraw/zinc/00/51/91/574005191.db2.gz JVJUQJXYNXBHDZ-UHFFFAOYSA-N 0 0 177.247 2.570 10 0 AFAERN O=C1CCCc2cc(F)cc(Cl)c21 104488973 574005203 /nfs/dbraw/zinc/00/52/03/574005203.db2.gz XIGFBPGGDJEPPC-UHFFFAOYSA-N 0 0 198.624 2.998 10 0 AFAERN CCc1cc(Cl)cc([C@@H](C)CO)c1 258200728 574005273 /nfs/dbraw/zinc/00/52/73/574005273.db2.gz SLRLMNAFKMZZRN-QMMMGPOBSA-N 0 0 198.693 2.998 10 0 AFAERN CCCCC1=CC(=O)NCC(C)(C)C1 238239931 574005359 /nfs/dbraw/zinc/00/53/59/574005359.db2.gz XMSWKJIZIZYHTE-UHFFFAOYSA-N 0 0 195.306 2.649 10 0 AFAERN CC[C@H](C)C(=O)[C@H]1CCCCS1 87680417 574006803 /nfs/dbraw/zinc/00/68/03/574006803.db2.gz RGMCXSBZMQYDBH-DTWKUNHWSA-N 0 0 186.320 2.887 10 0 AFAERN Cc1cc(C(C)C)ccc1NC(N)=O 238240311 574006838 /nfs/dbraw/zinc/00/68/38/574006838.db2.gz SUZUZGJFXHWFPR-UHFFFAOYSA-N 0 0 192.262 2.609 10 0 AFAERN CCCCC[C@]1(C)CCC1=O 238245467 574006870 /nfs/dbraw/zinc/00/68/70/574006870.db2.gz HBKIMULNBQBRND-SNVBAGLBSA-N 0 0 154.253 2.936 10 0 AFAERN CCC(=O)c1cc(C)cnc1CC 238240304 574006914 /nfs/dbraw/zinc/00/69/14/574006914.db2.gz KHPNPXUFFSCSEE-UHFFFAOYSA-N 0 0 177.247 2.545 10 0 AFAERN CCC1=CCCC(=O)C1(C)C 238240022 574006930 /nfs/dbraw/zinc/00/69/30/574006930.db2.gz UCHGJGWMRCSQPF-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN Nc1c(F)cc(F)cc1NC1CCC1 123361001 574007130 /nfs/dbraw/zinc/00/71/30/574007130.db2.gz QEVCPTHCOCELCH-UHFFFAOYSA-N 0 0 198.216 2.511 10 0 AFAERN CC(C)CC(=O)[C@H]1CCCCS1 87680703 574007226 /nfs/dbraw/zinc/00/72/26/574007226.db2.gz KRFCILWIFXEIQV-SNVBAGLBSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)n1cncc1[C@@H](O)C(C)(C)C 85189057 574007231 /nfs/dbraw/zinc/00/72/31/574007231.db2.gz IPKAYPUCFSQEMV-SNVBAGLBSA-N 0 0 196.294 2.544 10 0 AFAERN CCCC(=O)N1CC[C@H]2CCCC[C@@H]21 111248709 574007237 /nfs/dbraw/zinc/00/72/37/574007237.db2.gz DXMRZMRONMBEFE-MNOVXSKESA-N 0 0 195.306 2.578 10 0 AFAERN O=C1CCCc2ccc(Cl)cc2O1 258200259 574007277 /nfs/dbraw/zinc/00/72/77/574007277.db2.gz WVOIPEBUDIPNCE-UHFFFAOYSA-N 0 0 196.633 2.582 10 0 AFAERN Cc1ccc(-c2cc(N)n(C)c2)cc1 258200570 574007280 /nfs/dbraw/zinc/00/72/80/574007280.db2.gz VDZHKSWPXMYTCY-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN CC1([C@@H]2CCC(=O)C2)CCCC1 238239992 574007389 /nfs/dbraw/zinc/00/73/89/574007389.db2.gz DYZRFJWKIWVBOT-SECBINFHSA-N 0 0 166.264 2.936 10 0 AFAERN CCCC(=O)c1cc(O)c(C)cc1C 238245477 574007424 /nfs/dbraw/zinc/00/74/24/574007424.db2.gz CZRBHXXEGXQZRY-UHFFFAOYSA-N 0 0 192.258 2.992 10 0 AFAERN CCCC(=O)c1cc(O)ccc1F 238245567 574007510 /nfs/dbraw/zinc/00/75/10/574007510.db2.gz ZGHSHGAJEAAZER-UHFFFAOYSA-N 0 0 182.194 2.514 10 0 AFAERN CCCc1cc2c(cc1O)OCC2=O 238239623 574007536 /nfs/dbraw/zinc/00/75/36/574007536.db2.gz DFQJGWYVTHICCD-UHFFFAOYSA-N 0 0 192.214 2.797 10 0 AFAERN CC1=CC[C@@H]2[C@@H]1C(=O)CC2(C)C 238239389 574007543 /nfs/dbraw/zinc/00/75/43/574007543.db2.gz HEXNBUQTFRBAPR-PSASIEDQSA-N 0 0 164.248 2.568 10 0 AFAERN CCCC(=S)Nc1ccccc1N 238247562 574009958 /nfs/dbraw/zinc/00/99/58/574009958.db2.gz GLOFDBMGIWYWEF-UHFFFAOYSA-N 0 0 194.303 2.808 10 0 AFAERN CC1(C)C[C@@]2(C)C[C@]1(C)C[C@@H]2O 238246183 574009256 /nfs/dbraw/zinc/00/92/56/574009256.db2.gz PEHRSQQETMDJQO-LSJOCFKGSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@@H](C)C(=O)[C@@H]1CCCCS1 87680411 574009306 /nfs/dbraw/zinc/00/93/06/574009306.db2.gz RGMCXSBZMQYDBH-BDAKNGLRSA-N 0 0 186.320 2.887 10 0 AFAERN Cc1ccc(C=O)c([C@@H](C)CC=O)c1 258203307 574009371 /nfs/dbraw/zinc/00/93/71/574009371.db2.gz YQPGCLMWHXTIPW-JTQLQIEISA-N 0 0 190.242 2.500 10 0 AFAERN CCCC(=O)[C@H]1CCCCS1 87680253 574009407 /nfs/dbraw/zinc/00/94/07/574009407.db2.gz LQYINEFMUGCNQR-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN CC(C)(C)C(=O)[C@@H]1CCCCS1 87680782 574009475 /nfs/dbraw/zinc/00/94/75/574009475.db2.gz TUDAHGMUYMCEEL-QMMMGPOBSA-N 0 0 186.320 2.887 10 0 AFAERN CCCc1ccc2[nH]cccc-2c1=O 238247365 574009498 /nfs/dbraw/zinc/00/94/98/574009498.db2.gz GIBGHKVSJWVAJE-UHFFFAOYSA-N 0 0 187.242 2.893 10 0 AFAERN CC1(C)Cc2cccc(F)c2C1=O 238246435 574009555 /nfs/dbraw/zinc/00/95/55/574009555.db2.gz JHBDYDWXNUSGCU-UHFFFAOYSA-N 0 0 178.206 2.591 10 0 AFAERN CC1=C[C@@H](C(C)(C)CO)CCC1 238247033 574009602 /nfs/dbraw/zinc/00/96/02/574009602.db2.gz ZNYGJDDLBAKADE-JTQLQIEISA-N 0 0 168.280 2.751 10 0 AFAERN O=C(c1ccco1)[C@@H]1CCCCS1 87680267 574009649 /nfs/dbraw/zinc/00/96/49/574009649.db2.gz UGSBUKMJBGOKTC-VIFPVBQESA-N 0 0 196.271 2.748 10 0 AFAERN CCCC(=S)NCc1ccccc1 238247450 574009743 /nfs/dbraw/zinc/00/97/43/574009743.db2.gz NCKMDWBWXKFGKL-UHFFFAOYSA-N 0 0 193.315 2.904 10 0 AFAERN CCCC(=O)[C@@H]1CCCCS1 87680251 574009764 /nfs/dbraw/zinc/00/97/64/574009764.db2.gz LQYINEFMUGCNQR-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CCC(=O)c1occc1C(C)C 238247304 574009802 /nfs/dbraw/zinc/00/98/02/574009802.db2.gz JUBIOZGWDYWCSA-UHFFFAOYSA-N 0 0 166.220 2.996 10 0 AFAERN CC1=CCCC=C1C 111342062 574009817 /nfs/dbraw/zinc/00/98/17/574009817.db2.gz LYIAPOCBDHFNSZ-UHFFFAOYSA-N 0 0 108.184 2.673 10 0 in-vitro AFAERN CC1=C(C)C[C@H]2CC(=O)C[C@@H]2C1 238246529 574009838 /nfs/dbraw/zinc/00/98/38/574009838.db2.gz FJGXKSRIVLUQSH-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN CCc1ccccc1[C@H](O)C(F)F 87687000 574011472 /nfs/dbraw/zinc/01/14/72/574011472.db2.gz YYIRVXVIBUZASA-VIFPVBQESA-N 0 0 186.201 2.548 10 0 AFAERN CC(=O)C(C)(C)[C@@H]1C=C(C)CC1 238246895 574011490 /nfs/dbraw/zinc/01/14/90/574011490.db2.gz RSCBZVMBGMZMNJ-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN Cc1ccsc1[C@@](C)(O)C(F)F 87687055 574011515 /nfs/dbraw/zinc/01/15/15/574011515.db2.gz QZQOIWMOWRPQGY-MRVPVSSYSA-N 0 0 192.230 2.529 10 0 AFAERN CC(C)C1CCC(O)(C(F)F)CC1 87686821 574010777 /nfs/dbraw/zinc/01/07/77/574010777.db2.gz XEAQHKAUONWMFR-UHFFFAOYSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@@H]1CCC[C@@](O)(C(F)F)C1 87687084 574010801 /nfs/dbraw/zinc/01/08/01/574010801.db2.gz TYNRLZXXHOANTQ-APPZFPTMSA-N 0 0 178.222 2.583 10 0 AFAERN CC1(C)[C@H]2c3ccccc3[C@@H]1C[C@H]2O 238247150 574010837 /nfs/dbraw/zinc/01/08/37/574010837.db2.gz YLMODOCJXDGFKQ-TUAOUCFPSA-N 0 0 188.270 2.658 10 0 AFAERN CCC[C@@H](C)C(F)C=O 238246587 574010842 /nfs/dbraw/zinc/01/08/42/574010842.db2.gz TXRMDXUVYNVFSR-XOQWBGJWSA-N 0 0 132.178 2.792 10 0 AFAERN O[C@@H](c1cccc(C2CC2)c1)C(F)F 87687258 574010848 /nfs/dbraw/zinc/01/08/48/574010848.db2.gz ABYNPJCUMLCGKP-JTQLQIEISA-N 0 0 198.212 2.863 10 0 AFAERN Cc1cccc([C@@H](O)C(F)F)c1C 87686949 574010912 /nfs/dbraw/zinc/01/09/12/574010912.db2.gz OPECCZCSYIXORQ-SECBINFHSA-N 0 0 186.201 2.602 10 0 AFAERN CC[C@H]1CCC[C@@](O)(C(F)F)C1 87687085 574010931 /nfs/dbraw/zinc/01/09/31/574010931.db2.gz TYNRLZXXHOANTQ-CBAPKCEASA-N 0 0 178.222 2.583 10 0 AFAERN Cc1ccc([C@H](O)C(F)F)cc1C 87686950 574010936 /nfs/dbraw/zinc/01/09/36/574010936.db2.gz KIQWONMCISFPFC-VIFPVBQESA-N 0 0 186.201 2.602 10 0 AFAERN CCCc1ccc2ccc(N)cc2n1 238247078 574010961 /nfs/dbraw/zinc/01/09/61/574010961.db2.gz DYZNSLVLVHWPPA-UHFFFAOYSA-N 0 0 186.258 2.770 10 0 AFAERN CCC[C@H]1CCc2ccc(N)cc2N1 238246719 574010973 /nfs/dbraw/zinc/01/09/73/574010973.db2.gz WZPSULIDSNHXTL-NSHDSACASA-N 0 0 190.290 2.796 10 0 AFAERN O=C1CCOc2ccc(C(F)F)cc21 104493694 574010990 /nfs/dbraw/zinc/01/09/90/574010990.db2.gz DTEQCYWRKIBINE-UHFFFAOYSA-N 0 0 198.168 2.589 10 0 AFAERN O[C@H](c1cccc(C2CC2)c1)C(F)F 87687259 574011047 /nfs/dbraw/zinc/01/10/47/574011047.db2.gz ABYNPJCUMLCGKP-SNVBAGLBSA-N 0 0 198.212 2.863 10 0 AFAERN CC[C@](O)(c1ccccc1)C(F)F 87686794 574011098 /nfs/dbraw/zinc/01/10/98/574011098.db2.gz WGEPLYQUHIPFIK-JTQLQIEISA-N 0 0 186.201 2.549 10 0 AFAERN CCCc1ccc2c(c1)[C@H](CO)CC2 238246436 574011183 /nfs/dbraw/zinc/01/11/83/574011183.db2.gz OLOFRJFIECJWBN-LBPRGKRZSA-N 0 0 190.286 2.661 10 0 AFAERN O[C@@H](c1ccc(C2CC2)cc1)C(F)F 87687260 574011214 /nfs/dbraw/zinc/01/12/14/574011214.db2.gz VPFSNIDQQWXMOZ-JTQLQIEISA-N 0 0 198.212 2.863 10 0 AFAERN Cc1ccc([C@@H](O)C(F)F)c(C)c1 87686931 574011222 /nfs/dbraw/zinc/01/12/22/574011222.db2.gz YDCNZCFGCSVHRH-SECBINFHSA-N 0 0 186.201 2.602 10 0 AFAERN CCC(=O)c1cccc(OC)c1Cl 238246045 574011260 /nfs/dbraw/zinc/01/12/60/574011260.db2.gz HIWVWFWRAOYGGR-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CC[C@H]1CCCC[C@@]1(O)C(F)F 87687089 574011266 /nfs/dbraw/zinc/01/12/66/574011266.db2.gz RRDAGUNEXZYTBR-CBAPKCEASA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@@H]1CCC[C@](O)(C(F)F)CC1 87687161 574011270 /nfs/dbraw/zinc/01/12/70/574011270.db2.gz CLPWVFGPFUPOJA-PSASIEDQSA-N 0 0 192.249 2.973 10 0 AFAERN O=C1CCOc2cc(C(F)F)ccc21 104490675 574011282 /nfs/dbraw/zinc/01/12/82/574011282.db2.gz FZDPHOZJFZXGLO-UHFFFAOYSA-N 0 0 198.168 2.589 10 0 AFAERN CN[C@@H](c1ccccc1C)C(F)F 87687423 574011341 /nfs/dbraw/zinc/01/13/41/574011341.db2.gz JWSZRPJVVHPBNR-VIFPVBQESA-N 0 0 185.217 2.521 10 0 AFAERN CC[C@@H]1CCCC[C@]1(O)C(F)F 87687086 574011367 /nfs/dbraw/zinc/01/13/67/574011367.db2.gz RRDAGUNEXZYTBR-VXNVDRBHSA-N 0 0 178.222 2.583 10 0 AFAERN CN[C@H](c1ccc(C)cc1)C(F)F 87687376 574011372 /nfs/dbraw/zinc/01/13/72/574011372.db2.gz FJRXROOIDSBSDQ-SECBINFHSA-N 0 0 185.217 2.521 10 0 AFAERN O[C@@H](c1cc(Cl)cs1)C(F)F 87687232 574011582 /nfs/dbraw/zinc/01/15/82/574011582.db2.gz PWWJUARWFHSTRI-YFKPBYRVSA-N 0 0 198.621 2.700 10 0 AFAERN CCCNC(=S)C1CCCC1 238247000 574011587 /nfs/dbraw/zinc/01/15/87/574011587.db2.gz OFZQORIQRCFCPS-UHFFFAOYSA-N 0 0 171.309 2.504 10 0 AFAERN CC1=C(C)C[C@@H]2CC(=O)C[C@H]2C1 238246129 574011590 /nfs/dbraw/zinc/01/15/90/574011590.db2.gz FJGXKSRIVLUQSH-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CCc1ccc([C@@H](O)C(F)F)s1 87686997 574011618 /nfs/dbraw/zinc/01/16/18/574011618.db2.gz PEYSWPSYSHGBTM-SSDOTTSWSA-N 0 0 192.230 2.609 10 0 AFAERN CC1=C[C@@H](C(C)(C)C)CC[C@H]1CO 238247001 574011644 /nfs/dbraw/zinc/01/16/44/574011644.db2.gz QEFOBZCVUFNALZ-QWRGUYRKSA-N 0 0 182.307 2.997 10 0 AFAERN O[C@H](c1cc2ccccc2o1)C(F)F 87686953 574011660 /nfs/dbraw/zinc/01/16/60/574011660.db2.gz XVJCJEKHDZCPOL-SECBINFHSA-N 0 0 198.168 2.731 10 0 AFAERN C1=C(c2ccccc2)CC1 111339663 574011711 /nfs/dbraw/zinc/01/17/11/574011711.db2.gz KMWHNPPKABDZMJ-UHFFFAOYSA-N 0 0 130.190 2.864 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@](O)(C(F)F)C1 87686725 574011723 /nfs/dbraw/zinc/01/17/23/574011723.db2.gz JDAMADJYWRVTLP-GMSGAONNSA-N 0 0 192.249 2.829 10 0 AFAERN CCc1ccc([C@H](O)C(F)F)s1 87686996 574011730 /nfs/dbraw/zinc/01/17/30/574011730.db2.gz PEYSWPSYSHGBTM-ZETCQYMHSA-N 0 0 192.230 2.609 10 0 AFAERN C[C@@H]1CCC[C@](O)(C(F)F)CC1 87687157 574011737 /nfs/dbraw/zinc/01/17/37/574011737.db2.gz CSRINFYUZVXDHA-VXNVDRBHSA-N 0 0 178.222 2.583 10 0 AFAERN CC1=C[C@@H](C(C)(C)C)CC[C@@H]1CO 238246986 574011764 /nfs/dbraw/zinc/01/17/64/574011764.db2.gz QEFOBZCVUFNALZ-MNOVXSKESA-N 0 0 182.307 2.997 10 0 AFAERN O[C@H](c1ccc(Cl)s1)C(F)F 87686971 574011781 /nfs/dbraw/zinc/01/17/81/574011781.db2.gz JGNXNACCUXVRFJ-RXMQYKEDSA-N 0 0 198.621 2.700 10 0 AFAERN O[C@@]1(C(F)F)CCC[C@@H](C2CC2)C1 87687106 574011843 /nfs/dbraw/zinc/01/18/43/574011843.db2.gz OPPLEKISJWANCY-SCZZXKLOSA-N 0 0 190.233 2.583 10 0 AFAERN Cc1cc([C@H](O)C(F)F)c(C)s1 87687002 574011892 /nfs/dbraw/zinc/01/18/92/574011892.db2.gz DHRIODCORMNQFD-ZETCQYMHSA-N 0 0 192.230 2.663 10 0 AFAERN CC[C@@H]1CCC[C@](O)(C(F)F)C1 87687082 574011928 /nfs/dbraw/zinc/01/19/28/574011928.db2.gz TYNRLZXXHOANTQ-VXNVDRBHSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@H]1CCC[C@](O)(C(F)F)CC1 87687158 574011942 /nfs/dbraw/zinc/01/19/42/574011942.db2.gz CSRINFYUZVXDHA-IONNQARKSA-N 0 0 178.222 2.583 10 0 AFAERN O[C@@]1(C(F)F)CCC[C@H](C2CC2)C1 87687105 574011977 /nfs/dbraw/zinc/01/19/77/574011977.db2.gz OPPLEKISJWANCY-WPRPVWTQSA-N 0 0 190.233 2.583 10 0 AFAERN CC[C@@H]1CCC[C@@](O)(C(F)F)CC1 87687163 574011988 /nfs/dbraw/zinc/01/19/88/574011988.db2.gz CLPWVFGPFUPOJA-SCZZXKLOSA-N 0 0 192.249 2.973 10 0 AFAERN O[C@]1(C(F)F)CCC[C@@H](C2CC2)C1 87687108 574012006 /nfs/dbraw/zinc/01/20/06/574012006.db2.gz OPPLEKISJWANCY-PSASIEDQSA-N 0 0 190.233 2.583 10 0 AFAERN CCc1ccccc1[C@@H](O)C(F)F 87687001 574012011 /nfs/dbraw/zinc/01/20/11/574012011.db2.gz YYIRVXVIBUZASA-SECBINFHSA-N 0 0 186.201 2.548 10 0 AFAERN CC1(C)CCC[C@@](O)(C(F)F)CC1 87687166 574012041 /nfs/dbraw/zinc/01/20/41/574012041.db2.gz CZKNSVAYKCKDKW-JTQLQIEISA-N 0 0 192.249 2.973 10 0 AFAERN C[C@H]1CCC[C@@](O)(C(F)F)CC1 87687160 574012072 /nfs/dbraw/zinc/01/20/72/574012072.db2.gz CSRINFYUZVXDHA-CBAPKCEASA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@H]1CCC[C@@](O)(C(F)F)CC1 87687164 574012082 /nfs/dbraw/zinc/01/20/82/574012082.db2.gz CLPWVFGPFUPOJA-WPRPVWTQSA-N 0 0 192.249 2.973 10 0 AFAERN O[C@@H](C(F)F)C1CCCCCC1 87687192 574012105 /nfs/dbraw/zinc/01/21/05/574012105.db2.gz PZYCGMSJYDMLFY-MRVPVSSYSA-N 0 0 178.222 2.583 10 0 AFAERN c1ccn(C[C@@H]2CCCCS2)c1 87686409 574012114 /nfs/dbraw/zinc/01/21/14/574012114.db2.gz IDGLMQMGFAPUOI-JTQLQIEISA-N 0 0 181.304 2.774 10 0 AFAERN O[C@H](CC1CCCCC1)C(F)F 87687281 574012163 /nfs/dbraw/zinc/01/21/63/574012163.db2.gz NYUZLMFKYIMBPW-MRVPVSSYSA-N 0 0 178.222 2.583 10 0 AFAERN O[C@]1(C(F)F)CCC[C@H](C2CC2)C1 87687107 574012177 /nfs/dbraw/zinc/01/21/77/574012177.db2.gz OPPLEKISJWANCY-WCBMZHEXSA-N 0 0 190.233 2.583 10 0 AFAERN CC[C@H]1CCC[C@](O)(C(F)F)CC1 87687162 574012210 /nfs/dbraw/zinc/01/22/10/574012210.db2.gz CLPWVFGPFUPOJA-WCBMZHEXSA-N 0 0 192.249 2.973 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@](O)(C(F)F)C1 87686726 574012226 /nfs/dbraw/zinc/01/22/26/574012226.db2.gz JDAMADJYWRVTLP-OIBJUYFYSA-N 0 0 192.249 2.829 10 0 AFAERN O=C1CCCc2ccc3[nH]ccc3c21 104495561 574012233 /nfs/dbraw/zinc/01/22/33/574012233.db2.gz HDDBGASXZUKQQK-UHFFFAOYSA-N 0 0 185.226 2.687 10 0 AFAERN CC[C@H]1CCC[C@](O)(C(F)F)C1 87687083 574012244 /nfs/dbraw/zinc/01/22/44/574012244.db2.gz TYNRLZXXHOANTQ-IONNQARKSA-N 0 0 178.222 2.583 10 0 AFAERN CC1(C)CCCC[C@]1(O)C(F)F 87687236 574012264 /nfs/dbraw/zinc/01/22/64/574012264.db2.gz WRRHEZOSRBMZDO-VIFPVBQESA-N 0 0 178.222 2.583 10 0 AFAERN CN[C@@H](c1cccc(C)c1)C(F)F 87687429 574012354 /nfs/dbraw/zinc/01/23/54/574012354.db2.gz JLPONVRNFQTLDE-VIFPVBQESA-N 0 0 185.217 2.521 10 0 AFAERN Cc1cc([C@@H](O)C(F)F)c(C)s1 87687003 574012361 /nfs/dbraw/zinc/01/23/61/574012361.db2.gz DHRIODCORMNQFD-SSDOTTSWSA-N 0 0 192.230 2.663 10 0 AFAERN CCCC1CCC(O)(C(F)F)CC1 87686721 574012847 /nfs/dbraw/zinc/01/28/47/574012847.db2.gz VVTAHFVHNPSWBX-UHFFFAOYSA-N 0 0 192.249 2.973 10 0 AFAERN O[C@@H](CC1CCCCC1)C(F)F 87687280 574012852 /nfs/dbraw/zinc/01/28/52/574012852.db2.gz NYUZLMFKYIMBPW-QMMMGPOBSA-N 0 0 178.222 2.583 10 0 AFAERN O[C@H](c1ccccc1C1CC1)C(F)F 87687257 574012865 /nfs/dbraw/zinc/01/28/65/574012865.db2.gz AYCXEJXZBAFNHL-SNVBAGLBSA-N 0 0 198.212 2.863 10 0 AFAERN O[C@H](c1ccc(C2CC2)cc1)C(F)F 87687261 574012902 /nfs/dbraw/zinc/01/29/02/574012902.db2.gz VPFSNIDQQWXMOZ-SNVBAGLBSA-N 0 0 198.212 2.863 10 0 AFAERN CC1([C@H](O)c2ccccc2)CCC1 238240463 574012919 /nfs/dbraw/zinc/01/29/19/574012919.db2.gz LPPFRMJRZHUPNL-LLVKDONJSA-N 0 0 176.259 2.910 10 0 AFAERN CC[C@H]1CCCC[C@]1(O)C(F)F 87687087 574012925 /nfs/dbraw/zinc/01/29/25/574012925.db2.gz RRDAGUNEXZYTBR-IONNQARKSA-N 0 0 178.222 2.583 10 0 AFAERN Cc1ccc(C)c([C@@H](O)C(F)F)c1 87686933 574012954 /nfs/dbraw/zinc/01/29/54/574012954.db2.gz DXXVXJTYKLXTEM-SECBINFHSA-N 0 0 186.201 2.602 10 0 AFAERN Cc1ccc([C@H](O)C(F)F)c(C)c1 87686930 574012983 /nfs/dbraw/zinc/01/29/83/574012983.db2.gz YDCNZCFGCSVHRH-VIFPVBQESA-N 0 0 186.201 2.602 10 0 AFAERN O[C@@H](c1ccc(Cl)s1)C(F)F 87686970 574013005 /nfs/dbraw/zinc/01/30/05/574013005.db2.gz JGNXNACCUXVRFJ-YFKPBYRVSA-N 0 0 198.621 2.700 10 0 AFAERN CC1=C[C@@H](CO)CC[C@H]1C(C)(C)C 238247710 574013030 /nfs/dbraw/zinc/01/30/30/574013030.db2.gz ZFKGZVUNLUONCR-WDEREUQCSA-N 0 0 182.307 2.997 10 0 AFAERN O[C@@H](c1ccccc1C1CC1)C(F)F 87687256 574013088 /nfs/dbraw/zinc/01/30/88/574013088.db2.gz AYCXEJXZBAFNHL-JTQLQIEISA-N 0 0 198.212 2.863 10 0 AFAERN O[C@@H](c1cc2ccccc2o1)C(F)F 87686952 574013102 /nfs/dbraw/zinc/01/31/02/574013102.db2.gz XVJCJEKHDZCPOL-VIFPVBQESA-N 0 0 198.168 2.731 10 0 AFAERN CC1(C)CCC[C@](O)(C(F)F)CC1 87687165 574013104 /nfs/dbraw/zinc/01/31/04/574013104.db2.gz CZKNSVAYKCKDKW-SNVBAGLBSA-N 0 0 192.249 2.973 10 0 AFAERN CC1=CC[C@H]2CC=C[C@@H]2C1 111354753 574013341 /nfs/dbraw/zinc/01/33/41/574013341.db2.gz QUUPYIWVLBJWNG-NXEZZACHSA-N 0 0 134.222 2.919 10 0 AFAERN C=CC1=C(C)[C@@H](O)Cc2ccccc21 238247894 574013378 /nfs/dbraw/zinc/01/33/78/574013378.db2.gz QIINWAYYRHWPCF-ZDUSSCGKSA-N 0 0 186.254 2.563 10 0 AFAERN CC1=C[C@@H](CO)CC[C@@H]1C(C)(C)C 238247698 574013426 /nfs/dbraw/zinc/01/34/26/574013426.db2.gz ZFKGZVUNLUONCR-QWRGUYRKSA-N 0 0 182.307 2.997 10 0 AFAERN C[C@](O)(C(F)F)C1CCCCC1 87687720 574013431 /nfs/dbraw/zinc/01/34/31/574013431.db2.gz UGCDOBFYTDZBPQ-SECBINFHSA-N 0 0 178.222 2.583 10 0 AFAERN CN[C@H](c1cc(C)ccc1C)C(F)F 87688487 574013506 /nfs/dbraw/zinc/01/35/06/574013506.db2.gz AUFHGWAYLRSTDJ-SNVBAGLBSA-N 0 0 199.244 2.829 10 0 AFAERN CCc1ccc([C@@](C)(N)C(F)F)cc1 87688146 574013524 /nfs/dbraw/zinc/01/35/24/574013524.db2.gz NUTUNHPZEVNWLK-LLVKDONJSA-N 0 0 199.244 2.688 10 0 AFAERN CCc1ccccc1[C@@H](N)C(F)F 87688088 574014323 /nfs/dbraw/zinc/01/43/23/574014323.db2.gz QFCFUKWDVNTZHD-SECBINFHSA-N 0 0 185.217 2.514 10 0 AFAERN Cc1ccc([C@@](C)(N)C(F)F)cc1C 87688247 574014381 /nfs/dbraw/zinc/01/43/81/574014381.db2.gz CQEQAIYBJQPTLY-LLVKDONJSA-N 0 0 199.244 2.742 10 0 AFAERN N[C@H](c1cccc(C2CC2)c1)C(F)F 87688350 574014518 /nfs/dbraw/zinc/01/45/18/574014518.db2.gz AJJNNXFZBAGHCM-SNVBAGLBSA-N 0 0 197.228 2.829 10 0 AFAERN CO[C@H](C)C[C@@H](O)CCCC(C)C 128053859 574014526 /nfs/dbraw/zinc/01/45/26/574014526.db2.gz YSNGNIJLIZDULR-MNOVXSKESA-N 0 0 188.311 2.599 10 0 AFAERN CN[C@@](C)(c1ccc(C)cc1)C(F)F 87688510 574014534 /nfs/dbraw/zinc/01/45/34/574014534.db2.gz XJGYNYKAQAKFIX-NSHDSACASA-N 0 0 199.244 2.695 10 0 AFAERN CC1=CC[C@@H]2CC=C[C@@H]2C1 111354751 574014626 /nfs/dbraw/zinc/01/46/26/574014626.db2.gz QUUPYIWVLBJWNG-VHSXEESVSA-N 0 0 134.222 2.919 10 0 AFAERN CC[C@H](CO)c1nc(C(C)C)cs1 259273007 574014710 /nfs/dbraw/zinc/01/47/10/574014710.db2.gz OWDOZYMFQSJCQQ-MRVPVSSYSA-N 0 0 199.319 2.752 10 0 AFAERN CO[C@@H](C)C[C@@H](O)CCCC(C)C 128054320 574014850 /nfs/dbraw/zinc/01/48/50/574014850.db2.gz YSNGNIJLIZDULR-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H]1COc2ccc(C)cc2N1 238247704 574014869 /nfs/dbraw/zinc/01/48/69/574014869.db2.gz ACOACACUQQFTHZ-JTQLQIEISA-N 0 0 191.274 2.968 10 0 AFAERN Clc1cnc(Cc2ccco2)s1 258466177 574014872 /nfs/dbraw/zinc/01/48/72/574014872.db2.gz HKHUTYOHAVPTND-UHFFFAOYSA-N 0 0 199.662 2.980 10 0 AFAERN CO[C@@H](C)C[C@H](O)CCCC(C)C 128054547 574014911 /nfs/dbraw/zinc/01/49/11/574014911.db2.gz YSNGNIJLIZDULR-WDEREUQCSA-N 0 0 188.311 2.599 10 0 AFAERN CC1=C(C)c2ccc(N)cc2C1 238247674 574014940 /nfs/dbraw/zinc/01/49/40/574014940.db2.gz YWLDNPLOHPQKLH-UHFFFAOYSA-N 0 0 159.232 2.618 10 0 AFAERN CN[C@](C)(c1ccccc1C)C(F)F 87688446 574014955 /nfs/dbraw/zinc/01/49/55/574014955.db2.gz JBWJAVUOWVAPFC-LLVKDONJSA-N 0 0 199.244 2.695 10 0 AFAERN C=CC1=C(C)[C@H](O)Cc2ccccc21 238247902 574014995 /nfs/dbraw/zinc/01/49/95/574014995.db2.gz QIINWAYYRHWPCF-CYBMUJFWSA-N 0 0 186.254 2.563 10 0 AFAERN CCc1ccc([C@](C)(N)C(F)F)cc1 87688145 574015011 /nfs/dbraw/zinc/01/50/11/574015011.db2.gz NUTUNHPZEVNWLK-NSHDSACASA-N 0 0 199.244 2.688 10 0 AFAERN CN[C@H](c1ccc(C)cc1C)C(F)F 87688760 574015094 /nfs/dbraw/zinc/01/50/94/574015094.db2.gz UJSLHVRJHHLAPZ-SNVBAGLBSA-N 0 0 199.244 2.829 10 0 AFAERN CCCc1ccc2c(c1)OCCC2=O 104501559 574016251 /nfs/dbraw/zinc/01/62/51/574016251.db2.gz CTIFRCLVMCBUGV-UHFFFAOYSA-N 0 0 190.242 2.604 10 0 AFAERN N[C@H](c1ccccc1C1CC1)C(F)F 87688002 574016321 /nfs/dbraw/zinc/01/63/21/574016321.db2.gz JZMBUOCIRMYKEB-SNVBAGLBSA-N 0 0 197.228 2.829 10 0 AFAERN CC[C@@](O)(c1cccs1)C(F)F 87687675 574016411 /nfs/dbraw/zinc/01/64/11/574016411.db2.gz SPZIRLZHCWNRBX-MRVPVSSYSA-N 0 0 192.230 2.611 10 0 AFAERN CCc1ccc(C)c2c1C(=O)CCO2 104501554 574016412 /nfs/dbraw/zinc/01/64/12/574016412.db2.gz IXIOCHPEYIXSLE-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN CN[C@@H](c1cc(C)ccc1C)C(F)F 87688486 574016418 /nfs/dbraw/zinc/01/64/18/574016418.db2.gz AUFHGWAYLRSTDJ-JTQLQIEISA-N 0 0 199.244 2.829 10 0 AFAERN CC[C@@](N)(c1ccccc1)C(F)F 87688288 574016515 /nfs/dbraw/zinc/01/65/15/574016515.db2.gz LUVUGUYFFWVGHC-SNVBAGLBSA-N 0 0 185.217 2.516 10 0 AFAERN C[C@@](O)(C(F)F)C1CCCCC1 87687721 574016590 /nfs/dbraw/zinc/01/65/90/574016590.db2.gz UGCDOBFYTDZBPQ-VIFPVBQESA-N 0 0 178.222 2.583 10 0 AFAERN N[C@H](c1ccc(C2CC2)cc1)C(F)F 87687942 574016700 /nfs/dbraw/zinc/01/67/00/574016700.db2.gz YWWNFRXCXBCDPZ-SNVBAGLBSA-N 0 0 197.228 2.829 10 0 AFAERN CO[C@H](C)C[C@H](O)CCCC(C)C 128054093 574016717 /nfs/dbraw/zinc/01/67/17/574016717.db2.gz YSNGNIJLIZDULR-GHMZBOCLSA-N 0 0 188.311 2.599 10 0 AFAERN Cc1cccc([C@@H](N)C(F)F)c1C 87688303 574016748 /nfs/dbraw/zinc/01/67/48/574016748.db2.gz VJZWQPIHRKFYHF-SECBINFHSA-N 0 0 185.217 2.568 10 0 AFAERN Cc1ccc(C)c([C@](C)(N)C(F)F)c1 87688149 574016785 /nfs/dbraw/zinc/01/67/85/574016785.db2.gz YKIYWGHZQJWXGO-NSHDSACASA-N 0 0 199.244 2.742 10 0 AFAERN Cc1csc(N2C3CCC2CC3)n1 585384223 574016812 /nfs/dbraw/zinc/01/68/12/574016812.db2.gz UHXDEKQVYNLHPG-UHFFFAOYSA-N 0 0 194.303 2.583 10 0 AFAERN CN[C@@H](c1cc(C)cc(C)c1)C(F)F 87688818 574016843 /nfs/dbraw/zinc/01/68/43/574016843.db2.gz LCNLOHJQUZDXNS-JTQLQIEISA-N 0 0 199.244 2.829 10 0 AFAERN CN[C@@H](c1cccc(C)c1C)C(F)F 87688766 574016939 /nfs/dbraw/zinc/01/69/39/574016939.db2.gz AUXRKUYYZRJIOK-JTQLQIEISA-N 0 0 199.244 2.829 10 0 AFAERN CCc1c(C)ccc2c1C(=O)CCO2 104502534 574017770 /nfs/dbraw/zinc/01/77/70/574017770.db2.gz GQWFIHHDSCLFDF-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN O=C(CC1CCC1)[C@H]1CCCS1 87701081 574017981 /nfs/dbraw/zinc/01/79/81/574017981.db2.gz SGMWVPJJEIRCQA-SNVBAGLBSA-N 0 0 184.304 2.641 10 0 AFAERN CC/C=C\C[C@@H]1CCCC1=O 111405168 574018068 /nfs/dbraw/zinc/01/80/68/574018068.db2.gz ZIJOSCABGITYIL-ZBJFTSOASA-N 0 0 152.237 2.712 10 0 AFAERN O=Cc1csc([C@H]2CCCS2)n1 87700580 574018145 /nfs/dbraw/zinc/01/81/45/574018145.db2.gz HRABEDYTDXDQFB-SSDOTTSWSA-N 0 0 199.300 2.524 10 0 AFAERN O[C@H](c1ccco1)[C@H]1CCCCS1 87704584 574019661 /nfs/dbraw/zinc/01/96/61/574019661.db2.gz CZUVMYAKQGJANA-NXEZZACHSA-N 0 0 198.287 2.599 10 0 AFAERN O[C@@H](c1ccco1)[C@@H]1CCCCS1 87704577 574019671 /nfs/dbraw/zinc/01/96/71/574019671.db2.gz CZUVMYAKQGJANA-UWVGGRQHSA-N 0 0 198.287 2.599 10 0 AFAERN CC(C)C[C@@H](O)[C@@H]1CCCCS1 87703957 574019716 /nfs/dbraw/zinc/01/97/16/574019716.db2.gz MOVRDVTZVNGMKI-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN CC(=O)c1cc(C)cc2c1O[C@@H](C)C2 259276476 574019752 /nfs/dbraw/zinc/01/97/52/574019752.db2.gz AFJDLRADKZGHTM-QMMMGPOBSA-N 0 0 190.242 2.521 10 0 AFAERN O[C@@H](c1ccoc1)[C@H]1CCCCS1 87704704 574019811 /nfs/dbraw/zinc/01/98/11/574019811.db2.gz IFDKMWYVKWZUTQ-ZJUUUORDSA-N 0 0 198.287 2.599 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@@H]1CCCCS1 87704560 574019822 /nfs/dbraw/zinc/01/98/22/574019822.db2.gz DHMAZPFOEWFUCJ-LPEHRKFASA-N 0 0 188.336 2.679 10 0 AFAERN C[C@H]1CC[C@@]2(OCc3ccccc32)O1 104506309 574019928 /nfs/dbraw/zinc/01/99/28/574019928.db2.gz PSWKAIVAJLBBEX-JOYOIKCWSA-N 0 0 190.242 2.569 10 0 AFAERN Cc1ccc([C@@H]2CCCC[NH2+]2)c(F)c1 104506679 574019980 /nfs/dbraw/zinc/01/99/80/574019980.db2.gz QFGVXHBJTAENCN-LBPRGKRZSA-N 0 0 193.265 2.949 10 0 AFAERN CC(C)(C)[C@@H](O)[C@H]1CCCCS1 87703772 574020029 /nfs/dbraw/zinc/02/00/29/574020029.db2.gz SXOZMTJETBKRIV-BDAKNGLRSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1cc(F)cc2c1C(=O)CCC2 104507502 574020046 /nfs/dbraw/zinc/02/00/46/574020046.db2.gz SCKOXUNIDKENGE-UHFFFAOYSA-N 0 0 178.206 2.653 10 0 AFAERN C[C@@H]1CC[C@]2(OCc3ccccc32)O1 104506314 574020050 /nfs/dbraw/zinc/02/00/50/574020050.db2.gz PSWKAIVAJLBBEX-SKDRFNHKSA-N 0 0 190.242 2.569 10 0 AFAERN CC(C)(C)[C@H](O)[C@@H]1CCCCS1 87703765 574020134 /nfs/dbraw/zinc/02/01/34/574020134.db2.gz SXOZMTJETBKRIV-DTWKUNHWSA-N 0 0 188.336 2.679 10 0 AFAERN O=Cc1cnc([C@@H]2CCCS2)s1 87714820 574020224 /nfs/dbraw/zinc/02/02/24/574020224.db2.gz KLUFLDGPUFGOJJ-ZETCQYMHSA-N 0 0 199.300 2.524 10 0 AFAERN O[C@H](c1ccco1)[C@@H]1CCCCS1 87704580 574020310 /nfs/dbraw/zinc/02/03/10/574020310.db2.gz CZUVMYAKQGJANA-VHSXEESVSA-N 0 0 198.287 2.599 10 0 AFAERN CC(C)C[C@H](O)[C@@H]1CCCCS1 87703955 574021507 /nfs/dbraw/zinc/02/15/07/574021507.db2.gz MOVRDVTZVNGMKI-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN O=C1CCc2c1cccc2C(F)F 104512565 574021528 /nfs/dbraw/zinc/02/15/28/574021528.db2.gz JPVPAOJKOCMNJO-UHFFFAOYSA-N 0 0 182.169 2.753 10 0 AFAERN C[C@H]1C[C@]1(O)c1sccc1Cl 87722734 574021682 /nfs/dbraw/zinc/02/16/82/574021682.db2.gz JPPBOMAZIHVVOI-YLWLKBPMSA-N 0 0 188.679 2.629 10 0 AFAERN O=C1CCc2ccc(C(F)F)cc21 104512571 574021878 /nfs/dbraw/zinc/02/18/78/574021878.db2.gz QETMRFWYGGOUGH-UHFFFAOYSA-N 0 0 182.169 2.753 10 0 AFAERN CC[C@H](Nc1cccc(N)[nH+]1)C(C)C 87726113 574021895 /nfs/dbraw/zinc/02/18/95/574021895.db2.gz CVANMSCEXVJFJN-VIFPVBQESA-N 0 0 193.294 2.510 10 0 AFAERN CO[C@H](c1cc(C)ccc1C)N(C)C 259279244 574021912 /nfs/dbraw/zinc/02/19/12/574021912.db2.gz UYIWXDSVYKOJIR-GFCCVEGCSA-N 0 0 193.290 2.510 10 0 AFAERN Cc1cc(Cl)c2c(c1)CCC2=O 104513152 574021937 /nfs/dbraw/zinc/02/19/37/574021937.db2.gz MMCGBHMHMPJTHN-UHFFFAOYSA-N 0 0 180.634 2.777 10 0 AFAERN CCN[C@@H](C(F)(F)F)C1(C)CCC1 686130155 574021946 /nfs/dbraw/zinc/02/19/46/574021946.db2.gz MUFKIJQDZMRTRC-SSDOTTSWSA-N 0 0 195.228 2.717 10 0 AFAERN C[C@H]1C[C@@]1(O)c1sccc1Cl 87722739 574022015 /nfs/dbraw/zinc/02/20/15/574022015.db2.gz JPPBOMAZIHVVOI-XNCJUZBTSA-N 0 0 188.679 2.629 10 0 AFAERN Cc1c(Cl)ccc2c1OCCC2=O 104515991 574022260 /nfs/dbraw/zinc/02/22/60/574022260.db2.gz NUMZJKJHMQGYLS-UHFFFAOYSA-N 0 0 196.633 2.614 10 0 AFAERN CO[C@@H](c1cc(C)ccc1C)N(C)C 259279246 574022476 /nfs/dbraw/zinc/02/24/76/574022476.db2.gz UYIWXDSVYKOJIR-LBPRGKRZSA-N 0 0 193.290 2.510 10 0 AFAERN CC(C)(C)Cc1cc(Cl)on1 87724054 574022572 /nfs/dbraw/zinc/02/25/72/574022572.db2.gz YMDAPTSPUBDGSH-UHFFFAOYSA-N 0 0 173.643 2.917 10 0 AFAERN CSc1ccc(F)c([C@@H](C)O)c1 259278010 574022881 /nfs/dbraw/zinc/02/28/81/574022881.db2.gz BIIUFMJJXFMRRI-ZCFIWIBFSA-N 0 0 186.251 2.601 10 0 AFAERN O=C1CCCc2c1ccc1[nH]ccc21 104511901 574022919 /nfs/dbraw/zinc/02/29/19/574022919.db2.gz XOLWTQDCLWWUDA-UHFFFAOYSA-N 0 0 185.226 2.687 10 0 AFAERN CCCCOCC[C@H]1CCCCC1=O 49263204 574024891 /nfs/dbraw/zinc/02/48/91/574024891.db2.gz PPICYWCRBOXILE-LLVKDONJSA-N 0 0 198.306 2.953 10 0 AFAERN CCC[C@H](CO)CCCSCC 131811922 574024894 /nfs/dbraw/zinc/02/48/94/574024894.db2.gz RCAAORRUGBWXST-JTQLQIEISA-N 0 0 190.352 2.928 10 0 AFAERN CC[C@H]1CC[C@@](NC)(C(F)(F)F)C1 85276306 574024899 /nfs/dbraw/zinc/02/48/99/574024899.db2.gz ZCENDXTWIUJFDF-YUMQZZPRSA-N 0 0 195.228 2.717 10 0 AFAERN CCN[C@]1(C(F)(F)F)CC[C@@H](C)C1 85277238 574024926 /nfs/dbraw/zinc/02/49/26/574024926.db2.gz MZTMQCZMMQAIGR-HTQZYQBOSA-N 0 0 195.228 2.717 10 0 AFAERN C[C@H]1c2ccc(Cl)cc2CC[C@@H]1O 259280104 574024966 /nfs/dbraw/zinc/02/49/66/574024966.db2.gz MGJUIRMMKPEOFK-CPCISQLKSA-N 0 0 196.677 2.751 10 0 AFAERN CC(C)(C)C(=O)[C@@]1(C)CCCCO1 87761444 574025019 /nfs/dbraw/zinc/02/50/19/574025019.db2.gz ZQWAXTHOUBNHMY-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCSCCC[C@@H](CC)CO 131815624 574025030 /nfs/dbraw/zinc/02/50/30/574025030.db2.gz RZYLWTUNISFEPW-SECBINFHSA-N 0 0 176.325 2.538 10 0 AFAERN CCCCOCC[C@@H](CC)C(C)=O 49263190 574025061 /nfs/dbraw/zinc/02/50/61/574025061.db2.gz PUYMDXARTYQIMN-LLVKDONJSA-N 0 0 186.295 2.808 10 0 AFAERN CN[C@]1(C(F)(F)F)CCCC[C@H]1C 85276291 574025063 /nfs/dbraw/zinc/02/50/63/574025063.db2.gz KCLLORJGGPITEU-HTQZYQBOSA-N 0 0 195.228 2.717 10 0 AFAERN CCN[C@@]1(C(F)(F)F)CCC[C@@H]1C 85277049 574025105 /nfs/dbraw/zinc/02/51/05/574025105.db2.gz SANJBCOHDVJMEF-YUMQZZPRSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@H](C)Sc1cccc(N)n1 87731980 574025147 /nfs/dbraw/zinc/02/51/47/574025147.db2.gz APEYRWRWICENEU-ZETCQYMHSA-N 0 0 182.292 2.554 10 0 AFAERN CN[C@@](C)(C1CCCC1)C(F)(F)F 85276446 574025211 /nfs/dbraw/zinc/02/52/11/574025211.db2.gz WOLMDIWYNYKMBF-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN CCN[C@@]1(C(F)(F)F)CC[C@@H](C)C1 85277239 574025220 /nfs/dbraw/zinc/02/52/20/574025220.db2.gz MZTMQCZMMQAIGR-SFYZADRCSA-N 0 0 195.228 2.717 10 0 AFAERN Cc1ccsc1-c1onc(N)c1C 85278163 574025240 /nfs/dbraw/zinc/02/52/40/574025240.db2.gz OKVQSIIUENBKEF-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CN[C@@]1(C(F)(F)F)CCC[C@@H](C)C1 85276347 574025245 /nfs/dbraw/zinc/02/52/45/574025245.db2.gz VILBAVSUBGWRQJ-SFYZADRCSA-N 0 0 195.228 2.717 10 0 AFAERN CSCC[C@@H](CO)c1ccccc1 131816718 574025308 /nfs/dbraw/zinc/02/53/08/574025308.db2.gz RBGSGERVDBYSCM-NSHDSACASA-N 0 0 196.315 2.516 10 0 AFAERN Clc1ccc2c(c1)OC1(CC1)CN2 259279969 574025314 /nfs/dbraw/zinc/02/53/14/574025314.db2.gz PKXXEMYWJDFEOQ-UHFFFAOYSA-N 0 0 195.649 2.677 10 0 AFAERN Cc1c(N)noc1CCC1CCCC1 85278119 574025322 /nfs/dbraw/zinc/02/53/22/574025322.db2.gz DJBMZJUWGMUPND-UHFFFAOYSA-N 0 0 194.278 2.688 10 0 AFAERN CC(C)OCC[C@H]1CCCCC1=O 49260271 574025345 /nfs/dbraw/zinc/02/53/45/574025345.db2.gz DSXQUYAGMXWKJT-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCOCCNc1ccccc1 49261791 574025355 /nfs/dbraw/zinc/02/53/55/574025355.db2.gz SAXLSLVMGUSPIY-UHFFFAOYSA-N 0 0 193.290 2.915 10 0 AFAERN CCc1ccc(-c2cc(N)no2)s1 85278406 574025384 /nfs/dbraw/zinc/02/53/84/574025384.db2.gz IQZYQNYHCXQAPB-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CCN[C@@]1(C(F)(F)F)CCC[C@H]1C 85277053 574025394 /nfs/dbraw/zinc/02/53/94/574025394.db2.gz SANJBCOHDVJMEF-SFYZADRCSA-N 0 0 195.228 2.717 10 0 AFAERN CCC[C@@H](CO)CCSCC 131813060 574025419 /nfs/dbraw/zinc/02/54/19/574025419.db2.gz AZVMQXDNXLYWIA-SECBINFHSA-N 0 0 176.325 2.538 10 0 AFAERN C[C@@H]([NH3+])c1[nH]c2ccccc2c1Cl 104523221 574025422 /nfs/dbraw/zinc/02/54/22/574025422.db2.gz PIAHUKJYMIMKBX-ZCFIWIBFSA-N 0 0 194.665 2.841 10 0 AFAERN CNC1(C(F)(F)F)CCCCCC1 85276580 574025453 /nfs/dbraw/zinc/02/54/53/574025453.db2.gz XYDBBNXPOLUPKJ-UHFFFAOYSA-N 0 0 195.228 2.861 10 0 AFAERN Cc1c(N)noc1C[C@@H](C)C(C)(C)C 85278275 574025458 /nfs/dbraw/zinc/02/54/58/574025458.db2.gz ICQOCACENWCNBD-SSDOTTSWSA-N 0 0 196.294 2.790 10 0 AFAERN CCSCCC[C@@H](CO)C(C)C 131813753 574025478 /nfs/dbraw/zinc/02/54/78/574025478.db2.gz RTWVAPQALLEPME-JTQLQIEISA-N 0 0 190.352 2.784 10 0 AFAERN Cc1c(N)noc1C[C@H](C)C(C)(C)C 85278277 574025512 /nfs/dbraw/zinc/02/55/12/574025512.db2.gz ICQOCACENWCNBD-ZETCQYMHSA-N 0 0 196.294 2.790 10 0 AFAERN C[C@]1(C(=O)C2CCCC2)CCCCO1 87761481 574025527 /nfs/dbraw/zinc/02/55/27/574025527.db2.gz AYIBMCFNQYBVMP-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN CNC1(C(F)(F)F)CCC(C)CC1 85276511 574025538 /nfs/dbraw/zinc/02/55/38/574025538.db2.gz UZIGRFOBNPHERY-UHFFFAOYSA-N 0 0 195.228 2.717 10 0 AFAERN CC(C)CC(=O)[C@]1(C)CCCCO1 87761452 574025557 /nfs/dbraw/zinc/02/55/57/574025557.db2.gz OHTSADYMEGYORV-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCCN[C@@H](CCC)C(F)(F)F 85277825 574025581 /nfs/dbraw/zinc/02/55/81/574025581.db2.gz UAPDNZBUDZKPOD-ZETCQYMHSA-N 0 0 183.217 2.717 10 0 AFAERN CC(C)OCCCC(=O)C(C)(C)C 49260252 574025590 /nfs/dbraw/zinc/02/55/90/574025590.db2.gz HVAXQULNZNGEJD-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN CC[C@@H](O)[C@H]1CCC(C)(C)C1 87770894 574027585 /nfs/dbraw/zinc/02/75/85/574027585.db2.gz HCPFPMBLGLORBQ-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN CC1(C)CC[C@H](NCC(F)(F)F)C1 87769128 574027591 /nfs/dbraw/zinc/02/75/91/574027591.db2.gz JJYWZTCNTAJJMU-ZETCQYMHSA-N 0 0 195.228 2.717 10 0 AFAERN CCSCCC[C@](C)(CC)CO 131808182 574027672 /nfs/dbraw/zinc/02/76/72/574027672.db2.gz OHXSTDAHOQHZPN-JTQLQIEISA-N 0 0 190.352 2.928 10 0 AFAERN Cc1cc(N)n([C@@H]2CCC(C)(C)C2)n1 87772449 574027694 /nfs/dbraw/zinc/02/76/94/574027694.db2.gz WSBMDQBYPHGCNR-SECBINFHSA-N 0 0 193.294 2.525 10 0 AFAERN CC1(C)CC[C@@](O)(c2ccco2)C1 87773079 574027723 /nfs/dbraw/zinc/02/77/23/574027723.db2.gz UVMFCTYSRIZMJC-NSHDSACASA-N 0 0 180.247 2.677 10 0 AFAERN CC1(C)CC[C@@H](Nn2cccc2)C1 87772324 574027753 /nfs/dbraw/zinc/02/77/53/574027753.db2.gz DHXKXHSHPGNVOX-SNVBAGLBSA-N 0 0 178.279 2.610 10 0 AFAERN Cc1cnn([C@@H]2CCC(C)(C)C2)c1N 87772447 574027757 /nfs/dbraw/zinc/02/77/57/574027757.db2.gz SPDQWVYDRHICBZ-SECBINFHSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@@H](C)[C@@]1(O)CCC(C)(C)C1 87773045 574027911 /nfs/dbraw/zinc/02/79/11/574027911.db2.gz JZGVJOMMYYSMKP-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1c(N)noc1C(C)(C)CC 85278813 574027917 /nfs/dbraw/zinc/02/79/17/574027917.db2.gz XXTNKDWMQUGACZ-UHFFFAOYSA-N 0 0 182.267 2.507 10 0 AFAERN CC(=O)[C@@H](C)CCOCCC(C)C 49266959 574027924 /nfs/dbraw/zinc/02/79/24/574027924.db2.gz OSZDSMDVYJKBFE-JTQLQIEISA-N 0 0 186.295 2.664 10 0 AFAERN CC1(C)CC[C@](O)(c2ccco2)C1 87773078 574027978 /nfs/dbraw/zinc/02/79/78/574027978.db2.gz UVMFCTYSRIZMJC-LLVKDONJSA-N 0 0 180.247 2.677 10 0 AFAERN CCC(=O)[C@H]1CCC(C)(C)C1 87770725 574028041 /nfs/dbraw/zinc/02/80/41/574028041.db2.gz YFISYSLSDIEANB-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)CCCOCCC(C)C 49266949 574028047 /nfs/dbraw/zinc/02/80/47/574028047.db2.gz XXEAGBXBKXEXAY-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC(=O)[C@H](C)CCOCCC(C)C 49266955 574028080 /nfs/dbraw/zinc/02/80/80/574028080.db2.gz OSZDSMDVYJKBFE-SNVBAGLBSA-N 0 0 186.295 2.664 10 0 AFAERN CC[C@@H](O)[C@@H]1CCC(C)(C)C1 87770890 574028103 /nfs/dbraw/zinc/02/81/03/574028103.db2.gz HCPFPMBLGLORBQ-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN CCSCC[C@](C)(CC)CO 131809048 574028130 /nfs/dbraw/zinc/02/81/30/574028130.db2.gz BGWBJTKHHSLLDV-VIFPVBQESA-N 0 0 176.325 2.538 10 0 AFAERN CC1(C)CC[C@@H](NCC(F)(F)F)C1 87769130 574028171 /nfs/dbraw/zinc/02/81/71/574028171.db2.gz JJYWZTCNTAJJMU-SSDOTTSWSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@](C)(CO)CCCSC 131808646 574028172 /nfs/dbraw/zinc/02/81/72/574028172.db2.gz YWLLZNQDMHCDGI-VIFPVBQESA-N 0 0 176.325 2.538 10 0 AFAERN CCC(=O)[C@@H]1CCC(C)(C)C1 87770724 574028248 /nfs/dbraw/zinc/02/82/48/574028248.db2.gz YFISYSLSDIEANB-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](O)[C@H]1CCC(C)(C)C1 87770892 574028277 /nfs/dbraw/zinc/02/82/77/574028277.db2.gz HCPFPMBLGLORBQ-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc(-c2conc2N)cc1C 85279067 574028281 /nfs/dbraw/zinc/02/82/81/574028281.db2.gz HSKPNGSIIIXBKZ-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCC[C@@H](OCC)C(=O)[C@H](C)CC 131810567 574028332 /nfs/dbraw/zinc/02/83/32/574028332.db2.gz HCUGOFZLAADQML-NXEZZACHSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)Cc1c(N)noc1[C@H]1C[C@@H]1C 85278932 574028363 /nfs/dbraw/zinc/02/83/63/574028363.db2.gz JWEOTIUHQJCQNS-YUMQZZPRSA-N 0 0 194.278 2.579 10 0 AFAERN CC[C@@H](C)[C@]1(O)CCC(C)(C)C1 87773043 574028384 /nfs/dbraw/zinc/02/83/84/574028384.db2.gz JZGVJOMMYYSMKP-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CCSCCC[C@@](C)(CC)CO 131808401 574028446 /nfs/dbraw/zinc/02/84/46/574028446.db2.gz OHXSTDAHOQHZPN-SNVBAGLBSA-N 0 0 190.352 2.928 10 0 AFAERN CC(C)[C@@H](O)[C@H]1CCC(C)(C)C1 87770902 574028450 /nfs/dbraw/zinc/02/84/50/574028450.db2.gz TVHGTKZFBNQKDT-VHSXEESVSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](O)[C@H]1CCC(C)(C)C1 87770901 574028460 /nfs/dbraw/zinc/02/84/60/574028460.db2.gz TVHGTKZFBNQKDT-UWVGGRQHSA-N 0 0 170.296 2.830 10 0 AFAERN CSCCC[C@H](CO)CC(C)C 131810468 574028470 /nfs/dbraw/zinc/02/84/70/574028470.db2.gz HSVZZTIPRHDSJC-JTQLQIEISA-N 0 0 190.352 2.784 10 0 AFAERN CC[C@H](O)[C@@H]1CCC(C)(C)C1 87770888 574028476 /nfs/dbraw/zinc/02/84/76/574028476.db2.gz HCPFPMBLGLORBQ-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN FCCNc1cccc2c1CCCC2 87774583 574029022 /nfs/dbraw/zinc/02/90/22/574029022.db2.gz KAYIOGXGBJKLLE-UHFFFAOYSA-N 0 0 193.265 2.947 10 0 AFAERN Cc1cccc(NCCF)c1C 87774674 574029089 /nfs/dbraw/zinc/02/90/89/574029089.db2.gz OGTWBGGTJLXJLM-UHFFFAOYSA-N 0 0 167.227 2.685 10 0 AFAERN CCc1ccc([C@@H]2NC[C@@H](C)S2)o1 85301139 574029111 /nfs/dbraw/zinc/02/91/11/574029111.db2.gz QFHGMCUDIPHSDH-GMSGAONNSA-N 0 0 197.303 2.566 10 0 AFAERN Cc1ccc(NCCF)cc1C 87774634 574029132 /nfs/dbraw/zinc/02/91/32/574029132.db2.gz ULGATPUPUDHIEB-UHFFFAOYSA-N 0 0 167.227 2.685 10 0 AFAERN FCCNc1cccc(Cl)c1F 87774700 574029171 /nfs/dbraw/zinc/02/91/71/574029171.db2.gz ALWFSNDNHFYAIW-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN CCc1cccc(NCCF)c1 87774664 574029174 /nfs/dbraw/zinc/02/91/74/574029174.db2.gz HTNTUJPGUKIGNI-UHFFFAOYSA-N 0 0 167.227 2.630 10 0 AFAERN Cc1ccc(F)cc1NCCF 87774654 574029175 /nfs/dbraw/zinc/02/91/75/574029175.db2.gz BMFDCLCJVBJISM-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN CC(C)=C[C@@]1(O)CCC(C)(C)C1 87773329 574029194 /nfs/dbraw/zinc/02/91/94/574029194.db2.gz RVFAIDMVVYLYLK-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C)CC[C@@](O)(C(C)(C)C)C1 87773341 574029351 /nfs/dbraw/zinc/02/93/51/574029351.db2.gz QMEIGHKMRKKASE-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@]1(O)CCC(C)(C)C1 87773196 574029401 /nfs/dbraw/zinc/02/94/01/574029401.db2.gz GJIRQNCCRHEQQN-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN FCCNc1ccc2c(c1)CCC2 87774620 574029475 /nfs/dbraw/zinc/02/94/75/574029475.db2.gz UGDUZOYIKPCCJR-UHFFFAOYSA-N 0 0 179.238 2.557 10 0 AFAERN CN[C@@]1(C(F)(F)F)CCC(C)(C)C1 87773591 574029489 /nfs/dbraw/zinc/02/94/89/574029489.db2.gz XGNONOCNAMXSDL-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN CC1(C)CC[C@](O)(c2ccoc2)C1 87773344 574029500 /nfs/dbraw/zinc/02/95/00/574029500.db2.gz LRNOHOCUTRRNNS-LLVKDONJSA-N 0 0 180.247 2.677 10 0 AFAERN Cc1ccc(C)c(NCCF)c1 87774676 574029506 /nfs/dbraw/zinc/02/95/06/574029506.db2.gz IMSVHVBXJLYVDM-UHFFFAOYSA-N 0 0 167.227 2.685 10 0 AFAERN CC(C)C[C@]1(O)CCC(C)(C)C1 87773112 574029527 /nfs/dbraw/zinc/02/95/27/574029527.db2.gz HHBKINFOEJGEJD-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(CC)C[C@@H]1CCC[C@H]1O 128282366 574029533 /nfs/dbraw/zinc/02/95/33/574029533.db2.gz BZKFAHFZOACTDC-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CN[C@@H](c2ccccc2F)S1 85301723 574029620 /nfs/dbraw/zinc/02/96/20/574029620.db2.gz VWUXMHSWVQWKMN-GMSGAONNSA-N 0 0 197.278 2.549 10 0 AFAERN CCC(CC)C[C@@H]1CCC[C@@H]1O 128281908 574029659 /nfs/dbraw/zinc/02/96/59/574029659.db2.gz BZKFAHFZOACTDC-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@]1(O)CCC(C)(C)C1 87773226 574029680 /nfs/dbraw/zinc/02/96/80/574029680.db2.gz CNNWOBMKLWMDNF-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN FCCNc1cccc(Cl)c1 87774635 574029712 /nfs/dbraw/zinc/02/97/12/574029712.db2.gz BGXMJCDMPFXZJU-UHFFFAOYSA-N 0 0 173.618 2.721 10 0 AFAERN CCC[C@@]1(O)CCC(C)(C)C1 87773197 574029844 /nfs/dbraw/zinc/02/98/44/574029844.db2.gz GJIRQNCCRHEQQN-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1ccc(NCCF)cc1F 87774657 574029864 /nfs/dbraw/zinc/02/98/64/574029864.db2.gz POPXHXBFQWZWRK-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN C[C@H]1CS[C@@H](c2ccccc2F)N1 85309960 574032496 /nfs/dbraw/zinc/03/24/96/574032496.db2.gz WBTVXUOONQPXOU-XVKPBYJWSA-N 0 0 197.278 2.549 10 0 AFAERN FCCNc1ccc(Cl)c(F)c1 87774906 574031746 /nfs/dbraw/zinc/03/17/46/574031746.db2.gz GJJJTONFFSWRBQ-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN CC(C)[C@@H]1CCC(=O)[C@@H](CCF)C1 87776240 574031767 /nfs/dbraw/zinc/03/17/67/574031767.db2.gz HEXJFXRAALYYSW-ZJUUUORDSA-N 0 0 186.270 2.987 10 0 AFAERN CC(C)[C@H]1CCC(=O)[C@@H](CCF)C1 87776241 574031814 /nfs/dbraw/zinc/03/18/14/574031814.db2.gz HEXJFXRAALYYSW-UWVGGRQHSA-N 0 0 186.270 2.987 10 0 AFAERN Cc1cccc(SCCF)c1N 87775780 574031836 /nfs/dbraw/zinc/03/18/36/574031836.db2.gz MYCUVJRRQXOXRH-UHFFFAOYSA-N 0 0 185.267 2.639 10 0 AFAERN CCc1ccc([C@H]2N[C@H](C)CS2)o1 85309603 574031871 /nfs/dbraw/zinc/03/18/71/574031871.db2.gz BLEAMWOXCUQMIM-XCBNKYQSSA-N 0 0 197.303 2.566 10 0 AFAERN CC[C@H]1CCC(=O)[C@@H](CCF)C1 87776224 574031888 /nfs/dbraw/zinc/03/18/88/574031888.db2.gz GVXFVSAOIQMCMH-IUCAKERBSA-N 0 0 172.243 2.741 10 0 AFAERN C[C@H]1CS[C@H](c2ccccc2F)N1 85309957 574031978 /nfs/dbraw/zinc/03/19/78/574031978.db2.gz WBTVXUOONQPXOU-OIBJUYFYSA-N 0 0 197.278 2.549 10 0 AFAERN FCCNc1ccc(Cl)cc1F 87774914 574031995 /nfs/dbraw/zinc/03/19/95/574031995.db2.gz OKYAYVGSYWAETC-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN Cc1ccc(N)cc1SCCF 87775778 574032055 /nfs/dbraw/zinc/03/20/55/574032055.db2.gz ZSJLMBIMKZGUQW-UHFFFAOYSA-N 0 0 185.267 2.639 10 0 AFAERN C[C@@]1(CCO)CCc2ccccc2C1 143842136 574032148 /nfs/dbraw/zinc/03/21/48/574032148.db2.gz YEFURWFWQOMYRL-ZDUSSCGKSA-N 0 0 190.286 2.564 10 0 AFAERN CC[C@@H]1CCC(=O)[C@@H](CCF)C1 87776223 574032195 /nfs/dbraw/zinc/03/21/95/574032195.db2.gz GVXFVSAOIQMCMH-BDAKNGLRSA-N 0 0 172.243 2.741 10 0 AFAERN c1cc(-c2ccc3oncc3c2)c[nH]1 143717672 574032300 /nfs/dbraw/zinc/03/23/00/574032300.db2.gz WWMWAMWSVJXPDC-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Nc1cc(OC2CCCC2)ccc1F 143749348 574032302 /nfs/dbraw/zinc/03/23/02/574032302.db2.gz SDUMCIJCIIODFD-UHFFFAOYSA-N 0 0 195.237 2.729 10 0 AFAERN C[C@@H]1CS[C@@H](c2ccccc2F)N1 85309958 574032395 /nfs/dbraw/zinc/03/23/95/574032395.db2.gz WBTVXUOONQPXOU-XCBNKYQSSA-N 0 0 197.278 2.549 10 0 AFAERN C[C@@H](O)CCc1coc2ccccc12 87780908 574032405 /nfs/dbraw/zinc/03/24/05/574032405.db2.gz TWVYPXROQOIAFV-SECBINFHSA-N 0 0 190.242 2.746 10 0 AFAERN CC[C@@H]1CC[C@@H](O)[C@H](CCF)C1 87777009 574032423 /nfs/dbraw/zinc/03/24/23/574032423.db2.gz FFMIGQATIPVKPO-OPRDCNLKSA-N 0 0 174.259 2.533 10 0 AFAERN Cc1ccc(Cl)cc1OCCF 87777450 574032432 /nfs/dbraw/zinc/03/24/32/574032432.db2.gz VYSZQRVDSLUJPY-UHFFFAOYSA-N 0 0 188.629 2.997 10 0 AFAERN CC(=O)CCc1coc2ccccc12 87780893 574032436 /nfs/dbraw/zinc/03/24/36/574032436.db2.gz HPRNEZPEIOTOBC-UHFFFAOYSA-N 0 0 188.226 2.954 10 0 AFAERN O[C@H]1c2ccccc2CC[C@@H]1CCF 87776997 574032451 /nfs/dbraw/zinc/03/24/51/574032451.db2.gz HVKIIIXIGFNGGW-ZYHUDNBSSA-N 0 0 194.249 2.642 10 0 AFAERN CC(=O)c1cc(C2CCCCC2)on1 259290289 574036344 /nfs/dbraw/zinc/03/63/44/574036344.db2.gz QBSZGBFREURQRE-UHFFFAOYSA-N 0 0 193.246 2.925 10 0 AFAERN Cc1ccc([C@@H]2NC[C@H](C)CS2)o1 85338460 574037223 /nfs/dbraw/zinc/03/72/23/574037223.db2.gz HJYLQGQJLZHKQA-OIBJUYFYSA-N 0 0 197.303 2.559 10 0 AFAERN C[C@H]1CCS[C@H](c2ccsc2)N1 85318549 574036434 /nfs/dbraw/zinc/03/64/34/574036434.db2.gz IQAAYXVOVSDPPZ-IONNQARKSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@@H]1CCS[C@@H](c2ccsc2)N1 85318550 574036469 /nfs/dbraw/zinc/03/64/69/574036469.db2.gz IQAAYXVOVSDPPZ-APPZFPTMSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@H]1CCS[C@@H](c2ccsc2)N1 85318551 574036478 /nfs/dbraw/zinc/03/64/78/574036478.db2.gz IQAAYXVOVSDPPZ-CBAPKCEASA-N 0 0 199.344 2.862 10 0 AFAERN OC1CCC(Cc2cccs2)CC1 259290857 574036558 /nfs/dbraw/zinc/03/65/58/574036558.db2.gz ZTQCVOLVALBJGX-UHFFFAOYSA-N 0 0 196.315 2.842 10 0 AFAERN CCC(C)(C)Oc1cc(N)cc(F)c1 87800174 574036587 /nfs/dbraw/zinc/03/65/87/574036587.db2.gz SOTJNWCGJHIVOB-UHFFFAOYSA-N 0 0 197.253 2.975 10 0 AFAERN C[C@H]1CCS[C@@H](c2cccs2)N1 85318599 574036649 /nfs/dbraw/zinc/03/66/49/574036649.db2.gz HGXADCKSDJVTJA-CBAPKCEASA-N 0 0 199.344 2.862 10 0 AFAERN C[C@@H]1CCS[C@H](c2ccccc2)N1 85318780 574036704 /nfs/dbraw/zinc/03/67/04/574036704.db2.gz NDNQJKWJPWUXGM-MWLCHTKSSA-N 0 0 193.315 2.800 10 0 AFAERN Cc1ccc([C@@H]2N[C@@H](C)CCS2)o1 85318850 574036725 /nfs/dbraw/zinc/03/67/25/574036725.db2.gz LPJWCZMIILUAIZ-OIBJUYFYSA-N 0 0 197.303 2.702 10 0 AFAERN C[C@H]1CCS[C@H](c2ccccc2)N1 85318781 574036763 /nfs/dbraw/zinc/03/67/63/574036763.db2.gz NDNQJKWJPWUXGM-GXSJLCMTSA-N 0 0 193.315 2.800 10 0 AFAERN C[C@@H]1CCS[C@@H](c2ccccc2)N1 85318782 574036818 /nfs/dbraw/zinc/03/68/18/574036818.db2.gz NDNQJKWJPWUXGM-KOLCDFICSA-N 0 0 193.315 2.800 10 0 AFAERN C[C@@H]1CCS[C@H](c2cccs2)N1 85318596 574036891 /nfs/dbraw/zinc/03/68/91/574036891.db2.gz HGXADCKSDJVTJA-VXNVDRBHSA-N 0 0 199.344 2.862 10 0 AFAERN Nc1cc(F)cc(OC2CCCC2)c1 87800019 574037048 /nfs/dbraw/zinc/03/70/48/574037048.db2.gz RSFMUHBCTADHEY-UHFFFAOYSA-N 0 0 195.237 2.729 10 0 AFAERN CC(C)[C@H](C)Oc1cc(N)cc(F)c1 87800359 574037112 /nfs/dbraw/zinc/03/71/12/574037112.db2.gz OPOXKRYIACJSAT-QMMMGPOBSA-N 0 0 197.253 2.831 10 0 AFAERN C[C@@H]1CCN[C@H](c2cccs2)S1 85342164 574038314 /nfs/dbraw/zinc/03/83/14/574038314.db2.gz QAQULENBQAAUDX-APPZFPTMSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@H]1CCN[C@@H](c2cccs2)S1 85342171 574038360 /nfs/dbraw/zinc/03/83/60/574038360.db2.gz QAQULENBQAAUDX-IONNQARKSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@@H]1CN[C@@H](c2ccsc2)SC1 85338035 574038592 /nfs/dbraw/zinc/03/85/92/574038592.db2.gz WNUKXRJWQNITDM-VXNVDRBHSA-N 0 0 199.344 2.719 10 0 AFAERN C[C@H]1CCN[C@H](c2ccsc2)S1 85342073 574038597 /nfs/dbraw/zinc/03/85/97/574038597.db2.gz OZBKRDNHTLSOTQ-CBAPKCEASA-N 0 0 199.344 2.862 10 0 AFAERN C[C@@H]1CCN[C@@H](c2ccsc2)S1 85342076 574038602 /nfs/dbraw/zinc/03/86/02/574038602.db2.gz OZBKRDNHTLSOTQ-VXNVDRBHSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@H]1CN[C@@H](c2ccsc2)SC1 85338038 574038700 /nfs/dbraw/zinc/03/87/00/574038700.db2.gz WNUKXRJWQNITDM-IONNQARKSA-N 0 0 199.344 2.719 10 0 AFAERN Cc1ccc([C@@H]2NC[C@@H](C)CS2)o1 85338467 574038859 /nfs/dbraw/zinc/03/88/59/574038859.db2.gz HJYLQGQJLZHKQA-GMSGAONNSA-N 0 0 197.303 2.559 10 0 AFAERN C[C@@H]1CN[C@H](c2ccsc2)SC1 85338029 574038890 /nfs/dbraw/zinc/03/88/90/574038890.db2.gz WNUKXRJWQNITDM-APPZFPTMSA-N 0 0 199.344 2.719 10 0 AFAERN C[C@H]1CN[C@H](c2ccccc2)SC1 85338253 574039082 /nfs/dbraw/zinc/03/90/82/574039082.db2.gz NXUZCHWEOIYHKT-ONGXEEELSA-N 0 0 193.315 2.658 10 0 AFAERN C[C@@H]1CCN[C@@H](c2ccccc2)S1 85342514 574041159 /nfs/dbraw/zinc/04/11/59/574041159.db2.gz ZBQYUMCPDNWRSP-MWLCHTKSSA-N 0 0 193.315 2.800 10 0 AFAERN CC[C@H]1CS[C@@H](c2ccsc2)[NH2+]1 85347157 574041176 /nfs/dbraw/zinc/04/11/76/574041176.db2.gz DXAOJEBYUCIXND-IUCAKERBSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@H]1CCN[C@H](c2ccccc2)S1 85342511 574041232 /nfs/dbraw/zinc/04/12/32/574041232.db2.gz ZBQYUMCPDNWRSP-ONGXEEELSA-N 0 0 193.315 2.800 10 0 AFAERN COc1sc(C(C)C)nc1C 259295492 574041265 /nfs/dbraw/zinc/04/12/65/574041265.db2.gz MVBRFVIXPVCBPQ-UHFFFAOYSA-N 0 0 171.265 2.584 10 0 AFAERN CC(C)Oc1ccc(SC=O)cc1 259295538 574041436 /nfs/dbraw/zinc/04/14/36/574041436.db2.gz TVKWPPWJIAHCTJ-UHFFFAOYSA-N 0 0 196.271 2.756 10 0 AFAERN CC[C@@H]1CS[C@H](c2ccc(C)o2)N1 85347455 574041491 /nfs/dbraw/zinc/04/14/91/574041491.db2.gz BMBBEAYCNJAMDC-PSASIEDQSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccc([C@@H]2NCC[C@@H](C)S2)o1 85342652 574041508 /nfs/dbraw/zinc/04/15/08/574041508.db2.gz XSAVKVDXXXLNMJ-PSASIEDQSA-N 0 0 197.303 2.702 10 0 AFAERN CCc1ccc(SC(C)=O)cc1 259295525 574041594 /nfs/dbraw/zinc/04/15/94/574041594.db2.gz TUZHMXXRKJQZKZ-UHFFFAOYSA-N 0 0 180.272 2.888 10 0 AFAERN CC[C@H]1CS[C@@H](c2cccs2)[NH2+]1 85347205 574041595 /nfs/dbraw/zinc/04/15/95/574041595.db2.gz OSMUYMHVAQVNIR-CBAPKCEASA-N 0 0 199.344 2.862 10 0 AFAERN CC[C@@H]1CS[C@H](c2ccsc2)[NH2+]1 85347154 574042040 /nfs/dbraw/zinc/04/20/40/574042040.db2.gz DXAOJEBYUCIXND-RKDXNWHRSA-N 0 0 199.344 2.862 10 0 AFAERN CC[C@@H]1CS[C@@H](c2cccs2)[NH2+]1 85347204 574042223 /nfs/dbraw/zinc/04/22/23/574042223.db2.gz OSMUYMHVAQVNIR-APPZFPTMSA-N 0 0 199.344 2.862 10 0 AFAERN CCCNc1ncc(Cl)s1 85351951 574043651 /nfs/dbraw/zinc/04/36/51/574043651.db2.gz VSCUXSMISVYXMV-UHFFFAOYSA-N 0 0 176.672 2.618 10 0 AFAERN Cc1ccc([C@H]2NC(C)(C)CS2)o1 85349844 574043687 /nfs/dbraw/zinc/04/36/87/574043687.db2.gz JMHOIKIDHUOMJQ-VIFPVBQESA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@@H]1Oc2c(Cl)cccc2C1=O 113208518 574047436 /nfs/dbraw/zinc/04/74/36/574047436.db2.gz OUTPGTLWQAGLTO-QMMMGPOBSA-N 0 0 196.633 2.694 10 0 AFAERN CNc1cccc(SC(C)C)n1 87850856 574047485 /nfs/dbraw/zinc/04/74/85/574047485.db2.gz DNALKUNWNIPFTC-UHFFFAOYSA-N 0 0 182.292 2.624 10 0 AFAERN CCSCC(=O)C(C)(C)CC 393614244 574047595 /nfs/dbraw/zinc/04/75/95/574047595.db2.gz FARCZZXVZXUFMK-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CNc1cccc(O[C@H](C)C(C)C)n1 87849266 574047606 /nfs/dbraw/zinc/04/76/06/574047606.db2.gz SEVWVCNIPOUDDU-SECBINFHSA-N 0 0 194.278 2.547 10 0 AFAERN Cc1cc(-c2ccccn2)ccc1O 113250158 574047710 /nfs/dbraw/zinc/04/77/10/574047710.db2.gz VUBUTQBNEHUTFM-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CC[C@@H]1Oc2cc(C)c(C)cc2C1=O 113208545 574047713 /nfs/dbraw/zinc/04/77/13/574047713.db2.gz JSQOJUPAGQOLRA-JTQLQIEISA-N 0 0 190.242 2.657 10 0 AFAERN Cc1cc2c(cc1O)CCCC2 113250452 574047805 /nfs/dbraw/zinc/04/78/05/574047805.db2.gz TXJXFXWNZWCAEC-UHFFFAOYSA-N 0 0 162.232 2.579 10 0 AFAERN CCC(C)(C)c1cc(O)ccc1O 113188924 574047899 /nfs/dbraw/zinc/04/78/99/574047899.db2.gz FKWOGPPGVRDIRZ-UHFFFAOYSA-N 0 0 180.247 2.785 10 0 AFAERN CCc1c(C)cccc1F 113246400 574047991 /nfs/dbraw/zinc/04/79/91/574047991.db2.gz WWVBPAKAXPEYNS-UHFFFAOYSA-N 0 0 138.185 2.697 10 0 AFAERN CCc1ccc(Cc2cn[nH]c2)cc1 113210884 574048040 /nfs/dbraw/zinc/04/80/40/574048040.db2.gz WTFGXZLYRJHNTG-UHFFFAOYSA-N 0 0 186.258 2.563 10 0 AFAERN c1ccc2c(c1)oc1cccnc12 113212379 574048099 /nfs/dbraw/zinc/04/80/99/574048099.db2.gz FBVBNCGJVKIEHH-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN CCCCNc1ncc(F)cc1C 1154827373 760681548 /nfs/dbraw/zinc/68/15/48/760681548.db2.gz HBMZAXPWQPBTKM-UHFFFAOYSA-N 0 0 182.242 2.741 10 0 AFAERN CCCCNc1nccc(C)c1F 1154828343 760682881 /nfs/dbraw/zinc/68/28/81/760682881.db2.gz XUYNOUXOWQNCFZ-UHFFFAOYSA-N 0 0 182.242 2.741 10 0 AFAERN CCCCNc1ncc(C2CC2)cn1 1154828175 760683035 /nfs/dbraw/zinc/68/30/35/760683035.db2.gz RKBXTRYEIVIMAZ-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN CCCCNc1ncc(C)cc1F 1154828003 760685798 /nfs/dbraw/zinc/68/57/98/760685798.db2.gz XPWBXCYQQIEQJE-UHFFFAOYSA-N 0 0 182.242 2.741 10 0 AFAERN CC[C@@H](C)Nc1nccc(C)c1F 1157239086 760727742 /nfs/dbraw/zinc/72/77/42/760727742.db2.gz WBOGXCQHVPHZRE-MRVPVSSYSA-N 0 0 182.242 2.740 10 0 AFAERN CC[C@@H](C)Nc1nc(C)cc(Cl)n1 1157230411 760729755 /nfs/dbraw/zinc/72/97/55/760729755.db2.gz MUXWVJDMDKZNDB-ZCFIWIBFSA-N 0 0 199.685 2.649 10 0 AFAERN CC[C@@H](C)Nc1ncc(C)cc1F 1157230019 760730184 /nfs/dbraw/zinc/73/01/84/760730184.db2.gz HFWGORMHDWLXFB-MRVPVSSYSA-N 0 0 182.242 2.740 10 0 AFAERN CC[C@H](C)Nc1ncc(C2CC2)cn1 1157237729 760730509 /nfs/dbraw/zinc/73/05/09/760730509.db2.gz LRZKSHFTRDKACF-QMMMGPOBSA-N 0 0 191.278 2.564 10 0 AFAERN CC[C@H](C)Nc1ncc(F)cc1C 1157231082 760730657 /nfs/dbraw/zinc/73/06/57/760730657.db2.gz XDVVTLJLCSQCFL-QMMMGPOBSA-N 0 0 182.242 2.740 10 0 AFAERN CC[C@@H](C)Nc1ncc(C2CC2)cn1 1157237728 760732175 /nfs/dbraw/zinc/73/21/75/760732175.db2.gz LRZKSHFTRDKACF-MRVPVSSYSA-N 0 0 191.278 2.564 10 0 AFAERN CC[C@@H](C)Nc1ncc(F)cc1C 1157231081 760731912 /nfs/dbraw/zinc/73/19/12/760731912.db2.gz XDVVTLJLCSQCFL-MRVPVSSYSA-N 0 0 182.242 2.740 10 0 AFAERN CC[C@H](C)Nc1ncc(C)cc1F 1157230020 760732272 /nfs/dbraw/zinc/73/22/72/760732272.db2.gz HFWGORMHDWLXFB-QMMMGPOBSA-N 0 0 182.242 2.740 10 0 AFAERN CC[C@H](C)Nc1nc(C)cc(Cl)n1 1157230410 760732302 /nfs/dbraw/zinc/73/23/02/760732302.db2.gz MUXWVJDMDKZNDB-LURJTMIESA-N 0 0 199.685 2.649 10 0 AFAERN CC[C@H](C)Nc1nccc(C)c1F 1157239089 760732352 /nfs/dbraw/zinc/73/23/52/760732352.db2.gz WBOGXCQHVPHZRE-QMMMGPOBSA-N 0 0 182.242 2.740 10 0 AFAERN CCCNc1nc(Cl)ccc1F 1157357606 760736746 /nfs/dbraw/zinc/73/67/46/760736746.db2.gz VAIOSLFSDPIAJI-UHFFFAOYSA-N 0 0 188.633 2.696 10 0 AFAERN CCCNc1cc(C)c(Cl)cn1 1157357291 760742463 /nfs/dbraw/zinc/74/24/63/760742463.db2.gz FLRMTFFWACNLLY-UHFFFAOYSA-N 0 0 184.670 2.865 10 0 AFAERN Cc1cncc(N[C@@H](C)C(C)(C)C)n1 1157875871 760792912 /nfs/dbraw/zinc/79/29/12/760792912.db2.gz OKIWOHDKBBUTKQ-VIFPVBQESA-N 0 0 193.294 2.632 10 0 AFAERN CCC1(Nc2cncc(C)n2)CCC1 1161558692 760817626 /nfs/dbraw/zinc/81/76/26/760817626.db2.gz QJEQKTJSTVYAMP-UHFFFAOYSA-N 0 0 191.278 2.530 10 0 AFAERN Cc1cc(NCC(C)C)cnc1C 1161648267 760819874 /nfs/dbraw/zinc/81/98/74/760819874.db2.gz BPKVSMSSFXZQQF-UHFFFAOYSA-N 0 0 178.279 2.766 10 0 AFAERN CCC[C@H](C)Nc1nc(C)ncc1C 1161716900 760820903 /nfs/dbraw/zinc/82/09/03/760820903.db2.gz QWUQQZJCWVAFRS-VIFPVBQESA-N 0 0 193.294 2.694 10 0 AFAERN CCC[C@H](C)Nc1ncnc(C)c1C 1161716986 760822035 /nfs/dbraw/zinc/82/20/35/760822035.db2.gz WOQOFRPMKDVLOD-QMMMGPOBSA-N 0 0 193.294 2.694 10 0 AFAERN CCC[C@H](C)Nc1ncc(CC)cn1 1161715334 760822327 /nfs/dbraw/zinc/82/23/27/760822327.db2.gz ZJLOSHPEIGRSAN-VIFPVBQESA-N 0 0 193.294 2.640 10 0 AFAERN CCC[C@H](C)Nc1ncc(C)nc1C 1161714847 760822785 /nfs/dbraw/zinc/82/27/85/760822785.db2.gz MYDSLHZHYMOIDO-QMMMGPOBSA-N 0 0 193.294 2.694 10 0 AFAERN CCCCCNc1ncnc(C)c1C 1161970417 760826232 /nfs/dbraw/zinc/82/62/32/760826232.db2.gz KAHXUTVBGAKUAS-UHFFFAOYSA-N 0 0 193.294 2.696 10 0 AFAERN CCCCNc1cccc(CC)n1 1162205024 760828114 /nfs/dbraw/zinc/82/81/14/760828114.db2.gz FAHSOSIIORMSFB-UHFFFAOYSA-N 0 0 178.279 2.856 10 0 AFAERN CCCCNc1cnc(C)c(C)c1 1162204013 760828827 /nfs/dbraw/zinc/82/88/27/760828827.db2.gz GNOXKRSOWZVJQA-UHFFFAOYSA-N 0 0 178.279 2.910 10 0 AFAERN CCCCNc1cccn2ccnc12 1162202408 760829186 /nfs/dbraw/zinc/82/91/86/760829186.db2.gz VMBWRMHPLPIEAP-UHFFFAOYSA-N 0 0 189.262 2.546 10 0 AFAERN CCc1cccc(NC2CC(F)C2)n1 1162215132 760829545 /nfs/dbraw/zinc/82/95/45/760829545.db2.gz VHGBMKDTPCFTHZ-UHFFFAOYSA-N 0 0 194.253 2.556 10 0 AFAERN C=C/C=C/CC(=O)N(CCC)C(C)C 1163677712 760846384 /nfs/dbraw/zinc/84/63/84/760846384.db2.gz KURXRODJHWUVRF-BQYQJAHWSA-N 0 0 195.306 2.766 10 0 AFAERN C=C/C=C\CC(=O)N(CCC)C(C)C 1163677713 760847006 /nfs/dbraw/zinc/84/70/06/760847006.db2.gz KURXRODJHWUVRF-FPLPWBNLSA-N 0 0 195.306 2.766 10 0 AFAERN CCc1cccc(NC2(C)CCC2)n1 1164032403 760851928 /nfs/dbraw/zinc/85/19/28/760851928.db2.gz QWPSKLOKTNANFC-UHFFFAOYSA-N 0 0 190.290 2.999 10 0 AFAERN c1n[nH]cc1CSCC1CCCC1 1166945238 760862976 /nfs/dbraw/zinc/86/29/76/760862976.db2.gz SFNKRPSOBHXNDJ-UHFFFAOYSA-N 0 0 196.319 2.833 10 0 AFAERN CC[C@H](C)Nc1cccn2ccnc12 1167998954 760886902 /nfs/dbraw/zinc/88/69/02/760886902.db2.gz HVKMPOXGCAWKMF-VIFPVBQESA-N 0 0 189.262 2.545 10 0 AFAERN CC[C@@H](C)Nc1cccn2ccnc12 1167998948 760887536 /nfs/dbraw/zinc/88/75/36/760887536.db2.gz HVKMPOXGCAWKMF-SECBINFHSA-N 0 0 189.262 2.545 10 0 AFAERN CCc1cccc(N[C@H](C)CC)n1 1168003308 760888813 /nfs/dbraw/zinc/88/88/13/760888813.db2.gz JZKAOIWPATUYHH-SECBINFHSA-N 0 0 178.279 2.854 10 0 AFAERN CC[C@H](C)Nc1nnc(C)c(C)c1C 1168000857 760889406 /nfs/dbraw/zinc/88/94/06/760889406.db2.gz YODSPSFPHRFDDV-ZETCQYMHSA-N 0 0 193.294 2.612 10 0 AFAERN CCc1cccc(N[C@@H](C)CC)n1 1168003309 760889627 /nfs/dbraw/zinc/88/96/27/760889627.db2.gz JZKAOIWPATUYHH-VIFPVBQESA-N 0 0 178.279 2.854 10 0 AFAERN CC[C@@H](C)Nc1nnc(C)c(C)c1C 1168000856 760889981 /nfs/dbraw/zinc/88/99/81/760889981.db2.gz YODSPSFPHRFDDV-SSDOTTSWSA-N 0 0 193.294 2.612 10 0 AFAERN Cc1ccc(NC[C@H]2C[C@H](F)C2)nc1 1168235219 760897311 /nfs/dbraw/zinc/89/73/11/760897311.db2.gz ZGKBMTXFIQNCJE-MGCOHNPYSA-N 0 0 194.253 2.550 10 0 AFAERN CCCNc1cnc(C)c(C)c1 1168131533 760895518 /nfs/dbraw/zinc/89/55/18/760895518.db2.gz JJKPGMYNTSQLFU-UHFFFAOYSA-N 0 0 164.252 2.520 10 0 AFAERN Cc1cccnc1NC[C@H]1C[C@H](F)C1 1168232768 760897281 /nfs/dbraw/zinc/89/72/81/760897281.db2.gz CGJFFYMMFFQOIN-MGCOHNPYSA-N 0 0 194.253 2.550 10 0 AFAERN CC1CCC(N2CC(C)(F)C2)CC1 1168210347 760897309 /nfs/dbraw/zinc/89/73/09/760897309.db2.gz KVEXNJSKTGEPAH-UHFFFAOYSA-N 0 0 185.286 2.609 10 0 AFAERN CC1CCC(N2CCCCO2)CC1 1168210050 760897582 /nfs/dbraw/zinc/89/75/82/760897582.db2.gz DPCKUKIAEBCVIA-UHFFFAOYSA-N 0 0 183.295 2.593 10 0 AFAERN F[C@H]1C[C@H](CNc2ccccc2)C1 1168236632 760897716 /nfs/dbraw/zinc/89/77/16/760897716.db2.gz CAKHTJRKEANUQS-MGCOHNPYSA-N 0 0 179.238 2.847 10 0 AFAERN CC1CCC(N[C@H]2CC2(F)F)CC1 1168193068 760897869 /nfs/dbraw/zinc/89/78/69/760897869.db2.gz LARAUCSBOBKZPX-HACHORDNSA-N 0 0 189.249 2.562 10 0 AFAERN CC1CCC(N2CC(F)(F)C2)CC1 1168210708 760897900 /nfs/dbraw/zinc/89/79/00/760897900.db2.gz WYHCBMVVKCBBCZ-UHFFFAOYSA-N 0 0 189.249 2.516 10 0 AFAERN CC1CCC(N[C@@H]2CC2(F)F)CC1 1168193066 760898265 /nfs/dbraw/zinc/89/82/65/760898265.db2.gz LARAUCSBOBKZPX-AMDVSUOASA-N 0 0 189.249 2.562 10 0 AFAERN FCc1ccc(NC2CSC2)cc1 1168364937 760899253 /nfs/dbraw/zinc/89/92/53/760899253.db2.gz LQGRHJNJFQDNER-UHFFFAOYSA-N 0 0 197.278 2.683 10 0 AFAERN CO[C@@H](C)CNc1ccc(CF)cc1 1169776100 760985736 /nfs/dbraw/zinc/98/57/36/760985736.db2.gz VNAHASJLGLQWDK-VIFPVBQESA-N 0 0 197.253 2.603 10 0 AFAERN CCON(CC)C(=O)C=C(CC)CC 1171926109 761087058 /nfs/dbraw/zinc/08/70/58/761087058.db2.gz WUZPXMGSNMQFPU-UHFFFAOYSA-N 0 0 199.294 2.533 10 0 AFAERN C[C@H]1C[C@@H](N2CC(C)(F)C2)CC[C@H]1C 1172368303 761113707 /nfs/dbraw/zinc/11/37/07/761113707.db2.gz VVRPWHSSOVEZPS-VWYCJHECSA-N 0 0 199.313 2.855 10 0 AFAERN C[C@@H]1CC[C@H](N2CC(C)(F)C2)C[C@H]1C 1172368299 761117755 /nfs/dbraw/zinc/11/77/55/761117755.db2.gz VVRPWHSSOVEZPS-MXWKQRLJSA-N 0 0 199.313 2.855 10 0 AFAERN C[C@@H]1CC[C@H](N2CCCCO2)C[C@H]1C 1172366024 761117826 /nfs/dbraw/zinc/11/78/26/761117826.db2.gz MOJMRNVMPQPHQH-UTUOFQBUSA-N 0 0 197.322 2.839 10 0 AFAERN C[C@H]1C[C@H](N2CCCCO2)CC[C@H]1C 1172366013 761120633 /nfs/dbraw/zinc/12/06/33/761120633.db2.gz MOJMRNVMPQPHQH-GRYCIOLGSA-N 0 0 197.322 2.839 10 0 AFAERN C[C@@H]1CC[C@@H](N2CC(C)(F)C2)C[C@H]1C 1172368296 761120927 /nfs/dbraw/zinc/12/09/27/761120927.db2.gz VVRPWHSSOVEZPS-GMTAPVOTSA-N 0 0 199.313 2.855 10 0 AFAERN C[C@H]1C[C@@H](N2CCCCO2)CC[C@H]1C 1172366025 761122551 /nfs/dbraw/zinc/12/25/51/761122551.db2.gz MOJMRNVMPQPHQH-WOPDTQHZSA-N 0 0 197.322 2.839 10 0 AFAERN C[C@@H]1CC[C@@H](N2CCCCO2)C[C@H]1C 1172366022 761123248 /nfs/dbraw/zinc/12/32/48/761123248.db2.gz MOJMRNVMPQPHQH-IJLUTSLNSA-N 0 0 197.322 2.839 10 0 AFAERN C[C@H]1C[C@H](N2CC(C)(F)C2)CC[C@H]1C 1172368301 761123330 /nfs/dbraw/zinc/12/33/30/761123330.db2.gz VVRPWHSSOVEZPS-OUAUKWLOSA-N 0 0 199.313 2.855 10 0 AFAERN CC[C@@H]1CC[C@H](N[C@@H]2CC2(F)F)C1 1173262495 761232207 /nfs/dbraw/zinc/23/22/07/761232207.db2.gz ZRWHPGOWKYUVBD-HRDYMLBCSA-N 0 0 189.249 2.562 10 0 AFAERN CC[C@@H]1CC[C@@H](N[C@H]2CC2(F)F)C1 1173262468 761233161 /nfs/dbraw/zinc/23/31/61/761233161.db2.gz ZRWHPGOWKYUVBD-HLTSFMKQSA-N 0 0 189.249 2.562 10 0 AFAERN CC[C@@H]1CC[C@H](N[C@H]2CC2(F)F)C1 1173262498 761235087 /nfs/dbraw/zinc/23/50/87/761235087.db2.gz ZRWHPGOWKYUVBD-VGMNWLOBSA-N 0 0 189.249 2.562 10 0 AFAERN CC[C@@H]1CC[C@@H](N[C@@H]2CC2(F)F)C1 1173262497 761237367 /nfs/dbraw/zinc/23/73/67/761237367.db2.gz ZRWHPGOWKYUVBD-IWSPIJDZSA-N 0 0 189.249 2.562 10 0 AFAERN Cc1cccc(C)c1Nc1ncccn1 1173872354 761306503 /nfs/dbraw/zinc/30/65/03/761306503.db2.gz SKLDPMGOTWVXSO-UHFFFAOYSA-N 0 0 199.257 2.837 10 0 AFAERN Cc1cccc(Nc2ncccn2)c1C 1173951430 761315971 /nfs/dbraw/zinc/31/59/71/761315971.db2.gz JNICNCOUKVVDDP-UHFFFAOYSA-N 0 0 199.257 2.837 10 0 AFAERN CCN(CC)c1cccc(C)c1F 1175568761 761411663 /nfs/dbraw/zinc/41/16/63/761411663.db2.gz DQVRXPJPRNNITH-UHFFFAOYSA-N 0 0 181.254 2.980 10 0 AFAERN Cc1cncnc1NCCCC(C)C 1184792434 761561902 /nfs/dbraw/zinc/56/19/02/761561902.db2.gz BCCGVWNGADGFIH-UHFFFAOYSA-N 0 0 193.294 2.633 10 0 AFAERN C[C@@H](CN1CC(F)(F)C1)C(C)(C)C 1184417541 761562856 /nfs/dbraw/zinc/56/28/56/761562856.db2.gz FSKDYIQEYAILOT-QMMMGPOBSA-N 0 0 191.265 2.620 10 0 AFAERN C[C@H](CN1CC(F)(F)C1)C(C)(C)C 1184417540 761565338 /nfs/dbraw/zinc/56/53/38/761565338.db2.gz FSKDYIQEYAILOT-MRVPVSSYSA-N 0 0 191.265 2.620 10 0 AFAERN C=C/C=C\CCSc1ncco1 1189214997 761587316 /nfs/dbraw/zinc/58/73/16/761587316.db2.gz IQJJYHXVQMQQFC-ARJAWSKDSA-N 0 0 181.260 2.899 10 0 AFAERN C=C/C=C/CCSc1ncco1 1189214998 761591108 /nfs/dbraw/zinc/59/11/08/761591108.db2.gz IQJJYHXVQMQQFC-ONEGZZNKSA-N 0 0 181.260 2.899 10 0 AFAERN CC(C)OC(=O)N1CCCCC12CC2 1193477482 761622262 /nfs/dbraw/zinc/62/22/62/761622262.db2.gz FODJADIWMYOEIR-UHFFFAOYSA-N 0 0 197.278 2.550 10 0 AFAERN CCCC1(NC(=O)OC(C)C)CCC1 1193513615 761623832 /nfs/dbraw/zinc/62/38/32/761623832.db2.gz BKLXAZRKCAPVTA-UHFFFAOYSA-N 0 0 199.294 2.844 10 0 AFAERN COC(=O)Nc1ccccc1C1CC1 1193874917 761639009 /nfs/dbraw/zinc/63/90/09/761639009.db2.gz DAPCWNORVANCQF-UHFFFAOYSA-N 0 0 191.230 2.742 10 0 AFAERN COC(=O)Nc1cc(C)c(C)c(C)c1 1193911347 761648607 /nfs/dbraw/zinc/64/86/07/761648607.db2.gz ZQTFYKKUTZSZKO-UHFFFAOYSA-N 0 0 193.246 2.790 10 0 AFAERN CC[C@H](C)NC(=O)OCC(C)(C)C 1194403373 761672063 /nfs/dbraw/zinc/67/20/63/761672063.db2.gz GKAQLMWKMQRSGY-QMMMGPOBSA-N 0 0 187.283 2.557 10 0 AFAERN CC(C)(C)COC(=O)NC1CCCC1 1194351082 761673873 /nfs/dbraw/zinc/67/38/73/761673873.db2.gz SDBCJUTXJGZWMP-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@@H](C)NC(=O)OCC(C)(C)C 1194403372 761674985 /nfs/dbraw/zinc/67/49/85/761674985.db2.gz GKAQLMWKMQRSGY-MRVPVSSYSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@@H](C)OC(=O)N1CCCC12CC2 1195076544 761686099 /nfs/dbraw/zinc/68/60/99/761686099.db2.gz MSHKTVQBKGBOMU-SECBINFHSA-N 0 0 197.278 2.550 10 0 AFAERN CC[C@H](C)OC(=O)N1CCCC12CC2 1195076549 761686420 /nfs/dbraw/zinc/68/64/20/761686420.db2.gz MSHKTVQBKGBOMU-VIFPVBQESA-N 0 0 197.278 2.550 10 0 AFAERN CC[C@@H](C)OC(=O)N1CCCC1(C)C 1195077960 761687479 /nfs/dbraw/zinc/68/74/79/761687479.db2.gz YHSHZRJSBUJXHE-SECBINFHSA-N 0 0 199.294 2.796 10 0 AFAERN CC[C@H](C)OC(=O)N(C)C(C)(C)C 1195102336 761687534 /nfs/dbraw/zinc/68/75/34/761687534.db2.gz KEAWRECADCKEPI-QMMMGPOBSA-N 0 0 187.283 2.652 10 0 AFAERN CC[C@H](C)OC(=O)N1C2CCC1CC2 1195106009 761687546 /nfs/dbraw/zinc/68/75/46/761687546.db2.gz YQLSKWDWVHBRDO-IDKOKCKLSA-N 0 0 197.278 2.548 10 0 AFAERN CC[C@@H](C)OC(=O)N[C@H](C)C(C)C 1195079905 761687565 /nfs/dbraw/zinc/68/75/65/761687565.db2.gz ZCXMVVGCOBDPTH-RKDXNWHRSA-N 0 0 187.283 2.556 10 0 AFAERN CC[C@@H](C)CNC(=O)O[C@H](C)CC 1195079101 761687782 /nfs/dbraw/zinc/68/77/82/761687782.db2.gz NDWDXNMTRPZQBG-RKDXNWHRSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@@H](C)OC(=O)N1C2CCC1CC2 1195106010 761687789 /nfs/dbraw/zinc/68/77/89/761687789.db2.gz YQLSKWDWVHBRDO-XNWIYYODSA-N 0 0 197.278 2.548 10 0 AFAERN CC[C@@H](C)OC(=O)N(C)CC(C)C 1195079546 761687813 /nfs/dbraw/zinc/68/78/13/761687813.db2.gz VGAPTASXTIUJGL-SECBINFHSA-N 0 0 187.283 2.509 10 0 AFAERN CC[C@H](C)OC(=O)N(C)[C@@H](C)CC 1195087299 761687830 /nfs/dbraw/zinc/68/78/30/761687830.db2.gz FUQMBTBEHPYKSC-IUCAKERBSA-N 0 0 187.283 2.652 10 0 AFAERN CC[C@@H](C)OC(=O)N(CC)C(C)C 1195079924 761687886 /nfs/dbraw/zinc/68/78/86/761687886.db2.gz ZSVRHGZQHRNKED-SECBINFHSA-N 0 0 187.283 2.652 10 0 AFAERN CCC(CC)NC(=O)O[C@H](C)CC 1195079824 761688190 /nfs/dbraw/zinc/68/81/90/761688190.db2.gz XZQDJFUAFDQTCS-MRVPVSSYSA-N 0 0 187.283 2.700 10 0 AFAERN CC[C@H](C)OC(=O)N1CCC[C@@H]1CC 1195105887 761688228 /nfs/dbraw/zinc/68/82/28/761688228.db2.gz WFDAWGNRWXIDBD-UWVGGRQHSA-N 0 0 199.294 2.796 10 0 AFAERN CCCN(CC)C(=O)O[C@H](C)CC 1195078354 761688292 /nfs/dbraw/zinc/68/82/92/761688292.db2.gz DTECXWKXEVFMLJ-SECBINFHSA-N 0 0 187.283 2.653 10 0 AFAERN CC[C@H](C)OC(=O)NC[C@H](C)CC 1195079098 761688334 /nfs/dbraw/zinc/68/83/34/761688334.db2.gz NDWDXNMTRPZQBG-BDAKNGLRSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@H](C)OC(=O)N(C)CC1CCC1 1195103411 761688405 /nfs/dbraw/zinc/68/84/05/761688405.db2.gz CFCKUGSRIOTOLR-VIFPVBQESA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@@H](C)OC(=O)NC(C)(C)C1CC1 1195131797 761688415 /nfs/dbraw/zinc/68/84/15/761688415.db2.gz NBBMVYKPUTVFON-MRVPVSSYSA-N 0 0 199.294 2.700 10 0 AFAERN CC[C@@H](C)OC(=O)NCC(C)(C)C 1195078240 761688430 /nfs/dbraw/zinc/68/84/30/761688430.db2.gz BPKJITCQPIPXGE-MRVPVSSYSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@H](C)OC(=O)N[C@@H]1CCC[C@@H]1C 1195130487 761688472 /nfs/dbraw/zinc/68/84/72/761688472.db2.gz DGICVBMZSDSZBX-LPEHRKFASA-N 0 0 199.294 2.700 10 0 AFAERN CC[C@@H](C)OC(=O)N[C@@H](C)C(C)C 1195079902 761688511 /nfs/dbraw/zinc/68/85/11/761688511.db2.gz ZCXMVVGCOBDPTH-BDAKNGLRSA-N 0 0 187.283 2.556 10 0 AFAERN CC[C@@H](C)OC(=O)N(C)C(C)(C)C 1195102335 761688630 /nfs/dbraw/zinc/68/86/30/761688630.db2.gz KEAWRECADCKEPI-MRVPVSSYSA-N 0 0 187.283 2.652 10 0 AFAERN CC[C@@H](C)OC(=O)N(C)C1CC(C)C1 1195094055 761688724 /nfs/dbraw/zinc/68/87/24/761688724.db2.gz ZPEJEIIDEGECAO-HWOCKDDLSA-N 0 0 199.294 2.652 10 0 AFAERN CC[C@H](C)OC(=O)NC(C)(C)C1CC1 1195131799 761688801 /nfs/dbraw/zinc/68/88/01/761688801.db2.gz NBBMVYKPUTVFON-QMMMGPOBSA-N 0 0 199.294 2.700 10 0 AFAERN CC[C@@H](C)OC(=O)N(C)C1CCCC1 1195105633 761688975 /nfs/dbraw/zinc/68/89/75/761688975.db2.gz UMNJXBZKCNDEJM-SECBINFHSA-N 0 0 199.294 2.796 10 0 AFAERN CC[C@H](C)OC(=O)NCC1CC(C)C1 1195078521 761689051 /nfs/dbraw/zinc/68/90/51/761689051.db2.gz HHTCKBQLDFIQRS-KYHHOPLUSA-N 0 0 199.294 2.557 10 0 AFAERN CC[C@@H](C)OC(=O)NC(C)(C)CC 1195079130 761689109 /nfs/dbraw/zinc/68/91/09/761689109.db2.gz NZCSPKHCQUCXKE-MRVPVSSYSA-N 0 0 187.283 2.700 10 0 AFAERN CC[C@H]1CCCN1C(=O)O[C@H](C)CC 1195105889 761689177 /nfs/dbraw/zinc/68/91/77/761689177.db2.gz WFDAWGNRWXIDBD-ZJUUUORDSA-N 0 0 199.294 2.796 10 0 AFAERN CC[C@H](C)OC(=O)N(C)C1CCCC1 1195105634 761689266 /nfs/dbraw/zinc/68/92/66/761689266.db2.gz UMNJXBZKCNDEJM-VIFPVBQESA-N 0 0 199.294 2.796 10 0 AFAERN CC[C@H](C)N(C)C(=O)O[C@H](C)CC 1195087297 761689385 /nfs/dbraw/zinc/68/93/85/761689385.db2.gz FUQMBTBEHPYKSC-DTWKUNHWSA-N 0 0 187.283 2.652 10 0 AFAERN CC[C@@H](C)OC(=O)N(C)CC1CCC1 1195103410 761689648 /nfs/dbraw/zinc/68/96/48/761689648.db2.gz CFCKUGSRIOTOLR-SECBINFHSA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@H](C)OC(=O)N[C@H](C)C(C)C 1195079903 761689765 /nfs/dbraw/zinc/68/97/65/761689765.db2.gz ZCXMVVGCOBDPTH-DTWKUNHWSA-N 0 0 187.283 2.556 10 0 AFAERN CC[C@@H](C)OC(=O)N1CCC(C)(C)C1 1195105153 761689840 /nfs/dbraw/zinc/68/98/40/761689840.db2.gz QNJLPXXVMLZWAY-SECBINFHSA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@H](C)OC(=O)NCC(C)(C)C 1195078241 761689906 /nfs/dbraw/zinc/68/99/06/761689906.db2.gz BPKJITCQPIPXGE-QMMMGPOBSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@@H](C)OC(=O)N1CCC[C@H]1CC 1195105886 761690100 /nfs/dbraw/zinc/69/01/00/761690100.db2.gz WFDAWGNRWXIDBD-NXEZZACHSA-N 0 0 199.294 2.796 10 0 AFAERN CCC(CC)NC(=O)O[C@@H](C)CC 1195079825 761690200 /nfs/dbraw/zinc/69/02/00/761690200.db2.gz XZQDJFUAFDQTCS-QMMMGPOBSA-N 0 0 187.283 2.700 10 0 AFAERN CC[C@H](C)CNC(=O)O[C@H](C)CC 1195079099 761690332 /nfs/dbraw/zinc/69/03/32/761690332.db2.gz NDWDXNMTRPZQBG-DTWKUNHWSA-N 0 0 187.283 2.557 10 0 AFAERN CCCN(CC)C(=O)O[C@@H](C)CC 1195078355 761690348 /nfs/dbraw/zinc/69/03/48/761690348.db2.gz DTECXWKXEVFMLJ-VIFPVBQESA-N 0 0 187.283 2.653 10 0 AFAERN CC[C@@H](C)OC(=O)N(C)[C@H](C)CC 1195087301 761690372 /nfs/dbraw/zinc/69/03/72/761690372.db2.gz FUQMBTBEHPYKSC-RKDXNWHRSA-N 0 0 187.283 2.652 10 0 AFAERN CC[C@H](C)OC(=O)N(C)CC(C)C 1195079547 761690411 /nfs/dbraw/zinc/69/04/11/761690411.db2.gz VGAPTASXTIUJGL-VIFPVBQESA-N 0 0 187.283 2.509 10 0 AFAERN CC[C@H](C)CNC(=O)O[C@@H](C)CC 1195079100 761690452 /nfs/dbraw/zinc/69/04/52/761690452.db2.gz NDWDXNMTRPZQBG-IUCAKERBSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@@H](C)OC(=O)NCC1CCCC1 1195078936 761690506 /nfs/dbraw/zinc/69/05/06/761690506.db2.gz LTKJGIYKWDLOSH-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@H](C)OC(=O)N(CC)C(C)C 1195079925 761690558 /nfs/dbraw/zinc/69/05/58/761690558.db2.gz ZSVRHGZQHRNKED-VIFPVBQESA-N 0 0 187.283 2.652 10 0 AFAERN CC[C@H](C)OC(=O)N1CCC(C)(C)C1 1195105154 761690653 /nfs/dbraw/zinc/69/06/53/761690653.db2.gz QNJLPXXVMLZWAY-VIFPVBQESA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@H](C)OC(=O)N[C@@H](C)C(C)C 1195079904 761690664 /nfs/dbraw/zinc/69/06/64/761690664.db2.gz ZCXMVVGCOBDPTH-IUCAKERBSA-N 0 0 187.283 2.556 10 0 AFAERN CC[C@H](C)OC(=O)N1CCCC1(C)C 1195077961 761690713 /nfs/dbraw/zinc/69/07/13/761690713.db2.gz YHSHZRJSBUJXHE-VIFPVBQESA-N 0 0 199.294 2.796 10 0 AFAERN CC[C@H](C)OC(=O)N(C)C1CC(C)C1 1195094059 761691180 /nfs/dbraw/zinc/69/11/80/761691180.db2.gz ZPEJEIIDEGECAO-KYHHOPLUSA-N 0 0 199.294 2.652 10 0 AFAERN CC[C@H](C)OC(=O)N(C)[C@H](C)CC 1195087296 761691457 /nfs/dbraw/zinc/69/14/57/761691457.db2.gz FUQMBTBEHPYKSC-BDAKNGLRSA-N 0 0 187.283 2.652 10 0 AFAERN CC[C@H](C)OC(=O)NCC1CCCC1 1195078938 761691544 /nfs/dbraw/zinc/69/15/44/761691544.db2.gz LTKJGIYKWDLOSH-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@H](C)OC(=O)N1CC[C@@H](CC)C1 1195119174 761691569 /nfs/dbraw/zinc/69/15/69/761691569.db2.gz ZKHGRWMXEPKXGH-VHSXEESVSA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@@H]1CCN(C(=O)O[C@H](C)CC)C1 1195119173 761691630 /nfs/dbraw/zinc/69/16/30/761691630.db2.gz ZKHGRWMXEPKXGH-NXEZZACHSA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@@H](C)OC(=O)NCC1CC(C)C1 1195078518 761691639 /nfs/dbraw/zinc/69/16/39/761691639.db2.gz HHTCKBQLDFIQRS-HWOCKDDLSA-N 0 0 199.294 2.557 10 0 AFAERN CC[C@@H](C)OC(=O)N(C)CCC1CC1 1195109389 761691795 /nfs/dbraw/zinc/69/17/95/761691795.db2.gz VCMYZKALHMIQEC-SECBINFHSA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@H](C)OC(=O)N1CCC[C@H]1CC 1195105888 761691808 /nfs/dbraw/zinc/69/18/08/761691808.db2.gz WFDAWGNRWXIDBD-VHSXEESVSA-N 0 0 199.294 2.796 10 0 AFAERN CC[C@H](C)OC(=O)NC(C)(C)CC 1195079131 761691948 /nfs/dbraw/zinc/69/19/48/761691948.db2.gz NZCSPKHCQUCXKE-QMMMGPOBSA-N 0 0 187.283 2.700 10 0 AFAERN CC[C@H](C)OC(=O)N(C)CCC1CC1 1195109390 761692127 /nfs/dbraw/zinc/69/21/27/761692127.db2.gz VCMYZKALHMIQEC-VIFPVBQESA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@@H](C)OC(=O)N[C@@H]1C=CCCC1 1195154620 761692683 /nfs/dbraw/zinc/69/26/83/761692683.db2.gz UHGUOWDSCFLXND-NXEZZACHSA-N 0 0 197.278 2.620 10 0 AFAERN CC[C@H](C)OC(=O)NC1CC(C)(C)C1 1195146527 761692965 /nfs/dbraw/zinc/69/29/65/761692965.db2.gz JSKLGSFTSHCKEI-QMMMGPOBSA-N 0 0 199.294 2.700 10 0 AFAERN CC[C@@H](C)OC(=O)N[C@H]1CC=CCC1 1195154643 761693373 /nfs/dbraw/zinc/69/33/73/761693373.db2.gz UQNHBHXRTGCBJP-ZJUUUORDSA-N 0 0 197.278 2.620 10 0 AFAERN CCC[C@H](C)NC(=O)O[C@H](C)CC 1195147079 761693401 /nfs/dbraw/zinc/69/34/01/761693401.db2.gz PMTHEHILPWJEEY-DTWKUNHWSA-N 0 0 187.283 2.700 10 0 AFAERN CC[C@@H](C)OC(=O)NC1(CC)CCC1 1195151221 761693439 /nfs/dbraw/zinc/69/34/39/761693439.db2.gz PTGRJZWNKFNXQA-SECBINFHSA-N 0 0 199.294 2.844 10 0 AFAERN CC[C@@H](C)OC(=O)N[C@@H](C)C1CCC1 1195161316 761693555 /nfs/dbraw/zinc/69/35/55/761693555.db2.gz FPTFLZIKMBQRHU-BDAKNGLRSA-N 0 0 199.294 2.700 10 0 AFAERN CC[C@H](C)OC(=O)NCC1(C)CCC1 1195136390 761693906 /nfs/dbraw/zinc/69/39/06/761693906.db2.gz FIEWIMCDROJUPR-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@@H](C)OC(=O)N[C@H]1C=CCCC1 1195154623 761694081 /nfs/dbraw/zinc/69/40/81/761694081.db2.gz UHGUOWDSCFLXND-ZJUUUORDSA-N 0 0 197.278 2.620 10 0 AFAERN CC[C@H](C)OC(=O)N[C@@H](C)C1CCC1 1195161318 761694101 /nfs/dbraw/zinc/69/41/01/761694101.db2.gz FPTFLZIKMBQRHU-IUCAKERBSA-N 0 0 199.294 2.700 10 0 AFAERN CCC[C@H](C)NC(=O)O[C@@H](C)CC 1195147080 761694140 /nfs/dbraw/zinc/69/41/40/761694140.db2.gz PMTHEHILPWJEEY-IUCAKERBSA-N 0 0 187.283 2.700 10 0 AFAERN CC[C@@H](C)OC(=O)NCCC1CCC1 1195143544 761694242 /nfs/dbraw/zinc/69/42/42/761694242.db2.gz FWWMYNAZVHQRMP-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@@H](C)OC(=O)NCC1(C)CCC1 1195136389 761694263 /nfs/dbraw/zinc/69/42/63/761694263.db2.gz FIEWIMCDROJUPR-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@@H](C)OC(=O)N[C@@H]1CC=CCC1 1195154640 761694551 /nfs/dbraw/zinc/69/45/51/761694551.db2.gz UQNHBHXRTGCBJP-NXEZZACHSA-N 0 0 197.278 2.620 10 0 AFAERN CC[C@H](C)OC(=O)N[C@H](C)C1CCC1 1195161317 761694936 /nfs/dbraw/zinc/69/49/36/761694936.db2.gz FPTFLZIKMBQRHU-DTWKUNHWSA-N 0 0 199.294 2.700 10 0 AFAERN CC[C@H](C)OC(=O)N[C@@H]1CC=CCC1 1195154642 761695457 /nfs/dbraw/zinc/69/54/57/761695457.db2.gz UQNHBHXRTGCBJP-VHSXEESVSA-N 0 0 197.278 2.620 10 0 AFAERN CCC[C@@H](C)NC(=O)O[C@@H](C)CC 1195147078 761695641 /nfs/dbraw/zinc/69/56/41/761695641.db2.gz PMTHEHILPWJEEY-BDAKNGLRSA-N 0 0 187.283 2.700 10 0 AFAERN CC[C@@H](C)OC(=O)NC1CC(C)(C)C1 1195146526 761695895 /nfs/dbraw/zinc/69/58/95/761695895.db2.gz JSKLGSFTSHCKEI-MRVPVSSYSA-N 0 0 199.294 2.700 10 0 AFAERN CC[C@H](C)OC(=O)N[C@H]1C=CCCC1 1195154621 761696148 /nfs/dbraw/zinc/69/61/48/761696148.db2.gz UHGUOWDSCFLXND-UWVGGRQHSA-N 0 0 197.278 2.620 10 0 AFAERN CC[C@H](C)OC(=O)N[C@H]1CC=CCC1 1195154641 761696686 /nfs/dbraw/zinc/69/66/86/761696686.db2.gz UQNHBHXRTGCBJP-UWVGGRQHSA-N 0 0 197.278 2.620 10 0 AFAERN CC[C@H](C)OC(=O)NC1(CC)CCC1 1195151223 761696833 /nfs/dbraw/zinc/69/68/33/761696833.db2.gz PTGRJZWNKFNXQA-VIFPVBQESA-N 0 0 199.294 2.844 10 0 AFAERN CC[C@H](C)OC(=O)NCCC1CCC1 1195143545 761696844 /nfs/dbraw/zinc/69/68/44/761696844.db2.gz FWWMYNAZVHQRMP-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@@H](C)OC(=O)N[C@H](C)C1CCC1 1195161319 761697201 /nfs/dbraw/zinc/69/72/01/761697201.db2.gz FPTFLZIKMBQRHU-RKDXNWHRSA-N 0 0 199.294 2.700 10 0 AFAERN CC[C@H](C)OC(=O)N[C@@H]1C=CCCC1 1195154622 761697207 /nfs/dbraw/zinc/69/72/07/761697207.db2.gz UHGUOWDSCFLXND-VHSXEESVSA-N 0 0 197.278 2.620 10 0 AFAERN CCC[C@@H](C)NC(=O)O[C@H](C)CC 1195147081 761697237 /nfs/dbraw/zinc/69/72/37/761697237.db2.gz PMTHEHILPWJEEY-RKDXNWHRSA-N 0 0 187.283 2.700 10 0 AFAERN CON(Cc1ccc(C)o1)CC(C)C 1197968298 761714975 /nfs/dbraw/zinc/71/49/75/761714975.db2.gz JFDFSMKWTDDWFM-UHFFFAOYSA-N 0 0 197.278 2.607 10 0 AFAERN C[C@@H]1CCC(F)(F)CN1CC1CC1 1198641196 761717105 /nfs/dbraw/zinc/71/71/05/761717105.db2.gz ONEPWMOOGRCFMV-MRVPVSSYSA-N 0 0 189.249 2.516 10 0 AFAERN C[C@H]1CCC(F)(F)CN1CC1CC1 1198641197 761718949 /nfs/dbraw/zinc/71/89/49/761718949.db2.gz ONEPWMOOGRCFMV-QMMMGPOBSA-N 0 0 189.249 2.516 10 0 AFAERN FC1(F)CN(CC2CCCCC2)C1 1201390089 761754332 /nfs/dbraw/zinc/75/43/32/761754332.db2.gz BIJRHIPXXDOEGP-UHFFFAOYSA-N 0 0 189.249 2.518 10 0 AFAERN CC(C)(C)CN1Cc2ncsc2C1 1201442387 761759900 /nfs/dbraw/zinc/75/99/00/761759900.db2.gz YXUNGLLYPVZSFF-UHFFFAOYSA-N 0 0 196.319 2.505 10 0 AFAERN CCC[C@H](C)CN1CC(F)(C2CC2)C1 1201538311 761774746 /nfs/dbraw/zinc/77/47/46/761774746.db2.gz DUUKBRGVQOVWGB-JTQLQIEISA-N 0 0 199.313 2.857 10 0 AFAERN CC[C@@H](C)CN1Cc2ncsc2C1 1201517456 761776119 /nfs/dbraw/zinc/77/61/19/761776119.db2.gz TYLWJQRJYVNNDN-MRVPVSSYSA-N 0 0 196.319 2.505 10 0 AFAERN CCC[C@@H](C)CN1CC(F)(C2CC2)C1 1201538312 761776159 /nfs/dbraw/zinc/77/61/59/761776159.db2.gz DUUKBRGVQOVWGB-SNVBAGLBSA-N 0 0 199.313 2.857 10 0 AFAERN CC[C@H](C)CN1Cc2ncsc2C1 1201517457 761778624 /nfs/dbraw/zinc/77/86/24/761778624.db2.gz TYLWJQRJYVNNDN-QMMMGPOBSA-N 0 0 196.319 2.505 10 0 AFAERN CCCC[C@H](CC)CN1CC(F)C1 1201563853 761780196 /nfs/dbraw/zinc/78/01/96/761780196.db2.gz STUDZQIILJIXRT-JTQLQIEISA-N 0 0 187.302 2.857 10 0 AFAERN CCCC[C@@H](CC)CN1CCCO1 1201563414 761782088 /nfs/dbraw/zinc/78/20/88/761782088.db2.gz PJQWBIZEJDHUQD-LLVKDONJSA-N 0 0 185.311 2.840 10 0 AFAERN CCCC[C@@H](CC)CN1CC(F)C1 1201563855 761782866 /nfs/dbraw/zinc/78/28/66/761782866.db2.gz STUDZQIILJIXRT-SNVBAGLBSA-N 0 0 187.302 2.857 10 0 AFAERN CCCC[C@H](CC)CN1CCCO1 1201563415 761784111 /nfs/dbraw/zinc/78/41/11/761784111.db2.gz PJQWBIZEJDHUQD-NSHDSACASA-N 0 0 185.311 2.840 10 0 AFAERN CC(C)CCN1Cc2ncsc2C1 1201626533 761799212 /nfs/dbraw/zinc/79/92/12/761799212.db2.gz JWXDSRLIPCHLFR-UHFFFAOYSA-N 0 0 196.319 2.505 10 0 AFAERN CCCCN1Cc2nc(C)sc2C1 1201722894 761807252 /nfs/dbraw/zinc/80/72/52/761807252.db2.gz KOPVQMWUZVNZRV-UHFFFAOYSA-N 0 0 196.319 2.567 10 0 AFAERN CCCCCCN1CCCCO1 1201742958 761809392 /nfs/dbraw/zinc/80/93/92/761809392.db2.gz BKHVCJOKXFARAK-UHFFFAOYSA-N 0 0 171.284 2.594 10 0 AFAERN CCCCCCN1C[C@@H](F)[C@H](F)C1 1201743482 761809995 /nfs/dbraw/zinc/80/99/95/761809995.db2.gz QIOYMIHMHURCGZ-NXEZZACHSA-N 0 0 191.265 2.559 10 0 AFAERN CCCCCN1Cc2ncsc2C1 1201737472 761810590 /nfs/dbraw/zinc/81/05/90/761810590.db2.gz PANVOPZTXKULLH-UHFFFAOYSA-N 0 0 196.319 2.649 10 0 AFAERN CCCCCCN1C[C@H](F)[C@H](F)C1 1201743481 761810610 /nfs/dbraw/zinc/81/06/10/761810610.db2.gz QIOYMIHMHURCGZ-AOOOYVTPSA-N 0 0 191.265 2.559 10 0 AFAERN CCCCCCN1CC(F)(F)C1 1201743638 761811069 /nfs/dbraw/zinc/81/10/69/761811069.db2.gz XENFGYDNLZNTGA-UHFFFAOYSA-N 0 0 177.238 2.518 10 0 AFAERN CCCCCCN1CC(C)(F)C1 1201743477 761811480 /nfs/dbraw/zinc/81/14/80/761811480.db2.gz QADCLYGLAGDNAV-UHFFFAOYSA-N 0 0 173.275 2.611 10 0 AFAERN CC[C@H]1CCCCN1CC(F)(F)F 1202028141 761815188 /nfs/dbraw/zinc/81/51/88/761815188.db2.gz SNQPDCMMGOGQPZ-QMMMGPOBSA-N 0 0 195.228 2.813 10 0 AFAERN CC[C@@H]1CCCCN1CC(F)(F)F 1202028140 761816494 /nfs/dbraw/zinc/81/64/94/761816494.db2.gz SNQPDCMMGOGQPZ-MRVPVSSYSA-N 0 0 195.228 2.813 10 0 AFAERN F[C@H]1CCCCN(Cc2ccco2)C1 1203271110 761840852 /nfs/dbraw/zinc/84/08/52/761840852.db2.gz ZCARMHFOGFDRHC-JTQLQIEISA-N 0 0 197.253 2.604 10 0 AFAERN F[C@@H]1CCCCN(Cc2ccco2)C1 1203271111 761841897 /nfs/dbraw/zinc/84/18/97/761841897.db2.gz ZCARMHFOGFDRHC-SNVBAGLBSA-N 0 0 197.253 2.604 10 0 AFAERN Cc1ccccc1CN1CCCCO1 1203700030 761844882 /nfs/dbraw/zinc/84/48/82/761844882.db2.gz CCXLLFIFDYDQAK-UHFFFAOYSA-N 0 0 191.274 2.522 10 0 AFAERN Cc1ccccc1CN1CC(C)(F)C1 1203700156 761845317 /nfs/dbraw/zinc/84/53/17/761845317.db2.gz IXXRRNHPYPFWIC-UHFFFAOYSA-N 0 0 193.265 2.539 10 0 AFAERN Cc1cccc(CN2CC(C)(F)C2)c1 1203887376 761846860 /nfs/dbraw/zinc/84/68/60/761846860.db2.gz DPNOPNGAUOGTHL-UHFFFAOYSA-N 0 0 193.265 2.539 10 0 AFAERN Cc1cccc(CN2CCCCO2)c1 1203887444 761848149 /nfs/dbraw/zinc/84/81/49/761848149.db2.gz GEJAHOHHXBTYLR-UHFFFAOYSA-N 0 0 191.274 2.522 10 0 AFAERN C[C@@H]1CCN1Cc1cccc(F)c1F 1204193849 761850657 /nfs/dbraw/zinc/85/06/57/761850657.db2.gz UMOPAEFVDVFGTJ-MRVPVSSYSA-N 0 0 197.228 2.559 10 0 AFAERN C[C@@H]1CCN1Cc1c(F)cccc1F 1204202956 761850689 /nfs/dbraw/zinc/85/06/89/761850689.db2.gz NVXXGQZDSYHERR-MRVPVSSYSA-N 0 0 197.228 2.559 10 0 AFAERN C[C@@H]1CCN1Cc1cc(F)cc(F)c1 1204227905 761850698 /nfs/dbraw/zinc/85/06/98/761850698.db2.gz JPGFPPPWTYAILQ-MRVPVSSYSA-N 0 0 197.228 2.559 10 0 AFAERN C[C@H]1CCN1Cc1cccc(F)c1F 1204193850 761850733 /nfs/dbraw/zinc/85/07/33/761850733.db2.gz UMOPAEFVDVFGTJ-QMMMGPOBSA-N 0 0 197.228 2.559 10 0 AFAERN Cc1ccc(CN2CCCCO2)cc1 1204169003 761850761 /nfs/dbraw/zinc/85/07/61/761850761.db2.gz DZVXJRXKUHGVFC-UHFFFAOYSA-N 0 0 191.274 2.522 10 0 AFAERN C[C@@H]1CCN1Cc1cc(F)ccc1F 1204214155 761850816 /nfs/dbraw/zinc/85/08/16/761850816.db2.gz JIHLCQALKZBTAO-MRVPVSSYSA-N 0 0 197.228 2.559 10 0 AFAERN C[C@H]1CCN1Cc1ccc(F)c(F)c1 1204224398 761851142 /nfs/dbraw/zinc/85/11/42/761851142.db2.gz WPTKPXVSDNBADF-QMMMGPOBSA-N 0 0 197.228 2.559 10 0 AFAERN F[C@H]1CCCCN(Cc2ccoc2)C1 1204242318 761851161 /nfs/dbraw/zinc/85/11/61/761851161.db2.gz RFHAFGMNXKJKFX-NSHDSACASA-N 0 0 197.253 2.604 10 0 AFAERN C[C@H]1CCN1Cc1cc(F)cc(F)c1 1204227906 761851239 /nfs/dbraw/zinc/85/12/39/761851239.db2.gz JPGFPPPWTYAILQ-QMMMGPOBSA-N 0 0 197.228 2.559 10 0 AFAERN C[C@H]1CCN1Cc1cc(F)ccc1F 1204214156 761851284 /nfs/dbraw/zinc/85/12/84/761851284.db2.gz JIHLCQALKZBTAO-QMMMGPOBSA-N 0 0 197.228 2.559 10 0 AFAERN C[C@@H]1CCN1Cc1ccc(F)cc1F 1204207158 761851349 /nfs/dbraw/zinc/85/13/49/761851349.db2.gz FLTQVOUODPADPO-MRVPVSSYSA-N 0 0 197.228 2.559 10 0 AFAERN C[C@@H]1CCN1Cc1ccc(F)c(F)c1 1204224397 761851693 /nfs/dbraw/zinc/85/16/93/761851693.db2.gz WPTKPXVSDNBADF-MRVPVSSYSA-N 0 0 197.228 2.559 10 0 AFAERN F[C@@H]1CCCCN(Cc2ccoc2)C1 1204242317 761851743 /nfs/dbraw/zinc/85/17/43/761851743.db2.gz RFHAFGMNXKJKFX-LLVKDONJSA-N 0 0 197.253 2.604 10 0 AFAERN C[C@H]1CCN1Cc1c(F)cccc1F 1204202957 761851827 /nfs/dbraw/zinc/85/18/27/761851827.db2.gz NVXXGQZDSYHERR-QMMMGPOBSA-N 0 0 197.228 2.559 10 0 AFAERN C[C@H]1CCN1Cc1ccc(F)cc1F 1204207159 761852066 /nfs/dbraw/zinc/85/20/66/761852066.db2.gz FLTQVOUODPADPO-QMMMGPOBSA-N 0 0 197.228 2.559 10 0 AFAERN Clc1ccc(CN2CC=CC2)s1 1204440760 761853102 /nfs/dbraw/zinc/85/31/02/761853102.db2.gz KWPNKLGADPIWET-UHFFFAOYSA-N 0 0 199.706 2.773 10 0 AFAERN CCC[C@H](CC)OCC(=O)CC 1204869523 761867662 /nfs/dbraw/zinc/86/76/62/761867662.db2.gz ANVMKPBVMRDYQZ-JTQLQIEISA-N 0 0 172.268 2.561 10 0 AFAERN CCC(=O)CO[C@@H]1CCC[C@@H](C)[C@H]1C 1204871143 761867891 /nfs/dbraw/zinc/86/78/91/761867891.db2.gz RDMNTHXIHBEGCO-CKYFFXLPSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)CO[C@@H]1CCC[C@H](C)[C@@H]1C 1204871147 761867934 /nfs/dbraw/zinc/86/79/34/761867934.db2.gz RDMNTHXIHBEGCO-JBLDHEPKSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)CO[C@@H]1CCC[C@@H](C)[C@@H]1C 1204871148 761868293 /nfs/dbraw/zinc/86/82/93/761868293.db2.gz RDMNTHXIHBEGCO-JFGNBEQYSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)CO[C@@H]1CCC[C@H](C)[C@H]1C 1204871145 761868519 /nfs/dbraw/zinc/86/85/19/761868519.db2.gz RDMNTHXIHBEGCO-HOSYDEDBSA-N 0 0 198.306 2.807 10 0 AFAERN CCC[C@@H](CC)OCC(=O)CC 1204869532 761868923 /nfs/dbraw/zinc/86/89/23/761868923.db2.gz ANVMKPBVMRDYQZ-SNVBAGLBSA-N 0 0 172.268 2.561 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)[C@H]1C 1205240156 761911074 /nfs/dbraw/zinc/91/10/74/761911074.db2.gz HVUIZPYMKUWEIW-PKZYVASSSA-N 0 0 198.306 2.805 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CCC[C@H](C)[C@H]1C 1205240153 761907879 /nfs/dbraw/zinc/90/78/79/761907879.db2.gz HVUIZPYMKUWEIW-BSJXLVFVSA-N 0 0 198.306 2.805 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CCC[C@H](C)[C@@H]1C 1205240154 761908217 /nfs/dbraw/zinc/90/82/17/761908217.db2.gz HVUIZPYMKUWEIW-FSZOTQKASA-N 0 0 198.306 2.805 10 0 AFAERN CCC[C@@H](CC)O[C@H](C)C(C)=O 1205234102 761908607 /nfs/dbraw/zinc/90/86/07/761908607.db2.gz WCSHTRHIOSTHOY-NXEZZACHSA-N 0 0 172.268 2.559 10 0 AFAERN CCC[C@H](CC)O[C@H](C)C(C)=O 1205234105 761909708 /nfs/dbraw/zinc/90/97/08/761909708.db2.gz WCSHTRHIOSTHOY-ZJUUUORDSA-N 0 0 172.268 2.559 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)[C@@H]1C 1205240155 761910057 /nfs/dbraw/zinc/91/00/57/761910057.db2.gz HVUIZPYMKUWEIW-LLHIFLOGSA-N 0 0 198.306 2.805 10 0 AFAERN CCC[C@@H](CC)O[C@@H](C)C(C)=O 1205234104 761910993 /nfs/dbraw/zinc/91/09/93/761910993.db2.gz WCSHTRHIOSTHOY-VHSXEESVSA-N 0 0 172.268 2.559 10 0 AFAERN CCC[C@H](CC)O[C@@H](C)C(C)=O 1205234103 761911507 /nfs/dbraw/zinc/91/15/07/761911507.db2.gz WCSHTRHIOSTHOY-UWVGGRQHSA-N 0 0 172.268 2.559 10 0 AFAERN Clc1ccsc1CN1CC=CC1 1205312104 761919773 /nfs/dbraw/zinc/91/97/73/761919773.db2.gz CZXDWPCRZSZYMM-UHFFFAOYSA-N 0 0 199.706 2.773 10 0 AFAERN CC(C)=CCC[C@@H](C)OC[C@H](C)O 1205776059 761982065 /nfs/dbraw/zinc/98/20/65/761982065.db2.gz BTKZOSLLWHTJMR-WDEREUQCSA-N 0 0 186.295 2.519 10 0 AFAERN CC(C)=CCC[C@H](C)OC[C@H](C)O 1205776058 761986361 /nfs/dbraw/zinc/98/63/61/761986361.db2.gz BTKZOSLLWHTJMR-QWRGUYRKSA-N 0 0 186.295 2.519 10 0 AFAERN CC(C)=CCC[C@@H](C)OC[C@@H](C)O 1205776055 761986917 /nfs/dbraw/zinc/98/69/17/761986917.db2.gz BTKZOSLLWHTJMR-GHMZBOCLSA-N 0 0 186.295 2.519 10 0 AFAERN CC(C)=CCC[C@H](C)OC[C@@H](C)O 1205776056 761989446 /nfs/dbraw/zinc/98/94/46/761989446.db2.gz BTKZOSLLWHTJMR-MNOVXSKESA-N 0 0 186.295 2.519 10 0 AFAERN C1CCC(CCN2CCCCO2)CC1 1207254473 762154663 /nfs/dbraw/zinc/15/46/63/762154663.db2.gz HWZLUEBTSOVJDS-UHFFFAOYSA-N 0 0 197.322 2.984 10 0 AFAERN C1CCC(CCN2CCCO2)CC1 1207254635 762156419 /nfs/dbraw/zinc/15/64/19/762156419.db2.gz LLPWGPITAYUIFA-UHFFFAOYSA-N 0 0 183.295 2.594 10 0 AFAERN CCCCC[C@H](CC)OCCCO 1217841958 763895110 /nfs/dbraw/zinc/89/51/10/763895110.db2.gz WKSFGDDMACUUTF-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCCCC[C@@H](CC)OCCCO 1217841957 763896053 /nfs/dbraw/zinc/89/60/53/763896053.db2.gz WKSFGDDMACUUTF-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)=CCC[C@@H](C)OCCCO 1217881338 763903088 /nfs/dbraw/zinc/90/30/88/763903088.db2.gz VMTXSKDZLZPKSL-LLVKDONJSA-N 0 0 186.295 2.520 10 0 AFAERN CC(C)=CCC[C@H](C)OCCCO 1217881339 763906060 /nfs/dbraw/zinc/90/60/60/763906060.db2.gz VMTXSKDZLZPKSL-NSHDSACASA-N 0 0 186.295 2.520 10 0 AFAERN CCC[C@@H](CC)Oc1ncccc1N 1218215532 763937684 /nfs/dbraw/zinc/93/76/84/763937684.db2.gz WMOVDYXMFAAQMG-SECBINFHSA-N 0 0 194.278 2.621 10 0 AFAERN CCC[C@@H](CC)Oc1ccc(N)cn1 1218213296 763937917 /nfs/dbraw/zinc/93/79/17/763937917.db2.gz DETOWBDXYGYMCO-SNVBAGLBSA-N 0 0 194.278 2.621 10 0 AFAERN CCC[C@H](CC)Oc1ccc(N)cn1 1218213292 763938624 /nfs/dbraw/zinc/93/86/24/763938624.db2.gz DETOWBDXYGYMCO-JTQLQIEISA-N 0 0 194.278 2.621 10 0 AFAERN CCC[C@H](CC)Oc1ncccc1N 1218215534 763939650 /nfs/dbraw/zinc/93/96/50/763939650.db2.gz WMOVDYXMFAAQMG-VIFPVBQESA-N 0 0 194.278 2.621 10 0 AFAERN CCC[C@@H](CC)Oc1cc(N)ccn1 1218213749 763939882 /nfs/dbraw/zinc/93/98/82/763939882.db2.gz HTBFNKKZTRMTFA-SNVBAGLBSA-N 0 0 194.278 2.621 10 0 AFAERN CCC[C@H](CC)Oc1cc(N)ccn1 1218213747 763940954 /nfs/dbraw/zinc/94/09/54/763940954.db2.gz HTBFNKKZTRMTFA-JTQLQIEISA-N 0 0 194.278 2.621 10 0 AFAERN Clc1ncccc1O[C@@H]1C=CCC1 1225589210 764317699 /nfs/dbraw/zinc/31/76/99/764317699.db2.gz XPKXAPNACILHOH-MRVPVSSYSA-N 0 0 195.649 2.832 10 0 AFAERN Clc1ncccc1O[C@H]1C=CCC1 1225589211 764319947 /nfs/dbraw/zinc/31/99/47/764319947.db2.gz XPKXAPNACILHOH-QMMMGPOBSA-N 0 0 195.649 2.832 10 0 AFAERN Clc1ccc(OC2CC=CC2)cn1 1225599199 764321502 /nfs/dbraw/zinc/32/15/02/764321502.db2.gz SUOCHMVLORLMGY-UHFFFAOYSA-N 0 0 195.649 2.832 10 0 AFAERN Clc1ccc(O[C@H]2C=CCC2)cn1 1225599794 764322537 /nfs/dbraw/zinc/32/25/37/764322537.db2.gz ZSQHGBICZTVJBE-QMMMGPOBSA-N 0 0 195.649 2.832 10 0 AFAERN Clc1ccc(O[C@@H]2C=CCC2)cn1 1225599793 764322675 /nfs/dbraw/zinc/32/26/75/764322675.db2.gz ZSQHGBICZTVJBE-MRVPVSSYSA-N 0 0 195.649 2.832 10 0 AFAERN CCC[C@@H](CC)Oc1cccc(N)n1 1225753966 764330656 /nfs/dbraw/zinc/33/06/56/764330656.db2.gz NUBHDZNGFRKMJP-SECBINFHSA-N 0 0 194.278 2.621 10 0 AFAERN CCC[C@H](CC)Oc1cccc(N)n1 1225753967 764331597 /nfs/dbraw/zinc/33/15/97/764331597.db2.gz NUBHDZNGFRKMJP-VIFPVBQESA-N 0 0 194.278 2.621 10 0 AFAERN Clc1cc(O[C@@H]2C=CCC2)ccn1 1225782204 764334018 /nfs/dbraw/zinc/33/40/18/764334018.db2.gz QPKMBZRHQRTMLR-MRVPVSSYSA-N 0 0 195.649 2.832 10 0 AFAERN Clc1cc(OC2CC=CC2)ccn1 1225779968 764334428 /nfs/dbraw/zinc/33/44/28/764334428.db2.gz YHEJELDERRZXAW-UHFFFAOYSA-N 0 0 195.649 2.832 10 0 AFAERN Cc1cc(OC2CCC2)cnc1Cl 1225822203 764334609 /nfs/dbraw/zinc/33/46/09/764334609.db2.gz HOSIJHSGSSZOQU-UHFFFAOYSA-N 0 0 197.665 2.975 10 0 AFAERN Clc1cc(O[C@H]2C=CCC2)ccn1 1225782205 764334771 /nfs/dbraw/zinc/33/47/71/764334771.db2.gz QPKMBZRHQRTMLR-QMMMGPOBSA-N 0 0 195.649 2.832 10 0 AFAERN CCC[C@@H](CC)Oc1ccc(N)nc1 1226776618 764380406 /nfs/dbraw/zinc/38/04/06/764380406.db2.gz AEBFIZOIMUMSKI-SECBINFHSA-N 0 0 194.278 2.621 10 0 AFAERN CCC[C@H](CC)Oc1ccc(N)nc1 1226776620 764380583 /nfs/dbraw/zinc/38/05/83/764380583.db2.gz AEBFIZOIMUMSKI-VIFPVBQESA-N 0 0 194.278 2.621 10 0 AFAERN Cc1cc(O)cc(O[C@H]2C=CCC2)c1 1227471723 764426519 /nfs/dbraw/zinc/42/65/19/764426519.db2.gz ITBDNDIDUQHCRO-NSHDSACASA-N 0 0 190.242 2.798 10 0 AFAERN Cc1c(O)cccc1O[C@@H]1C=CCC1 1227432261 764426864 /nfs/dbraw/zinc/42/68/64/764426864.db2.gz WOQBLISKLYOULN-SNVBAGLBSA-N 0 0 190.242 2.798 10 0 AFAERN Cc1c(O)cccc1O[C@H]1C=CCC1 1227432260 764428779 /nfs/dbraw/zinc/42/87/79/764428779.db2.gz WOQBLISKLYOULN-JTQLQIEISA-N 0 0 190.242 2.798 10 0 AFAERN Cc1cc(O)cc(O[C@@H]2C=CCC2)c1 1227471722 764429122 /nfs/dbraw/zinc/42/91/22/764429122.db2.gz ITBDNDIDUQHCRO-LLVKDONJSA-N 0 0 190.242 2.798 10 0 AFAERN CC(C)Oc1nc(Cl)ccc1F 1227880676 764440350 /nfs/dbraw/zinc/44/03/50/764440350.db2.gz ZKCQMYXGDZWDSF-UHFFFAOYSA-N 0 0 189.617 2.661 10 0 AFAERN Clc1cccc(OC2CC=CC2)n1 1227928635 764444509 /nfs/dbraw/zinc/44/45/09/764444509.db2.gz FVGJJGDYODXUCG-UHFFFAOYSA-N 0 0 195.649 2.832 10 0 AFAERN Clc1cccc(O[C@H]2C=CCC2)n1 1227927546 764446190 /nfs/dbraw/zinc/44/61/90/764446190.db2.gz CEKUCAGKMMOONV-QMMMGPOBSA-N 0 0 195.649 2.832 10 0 AFAERN Clc1cccc(O[C@@H]2C=CCC2)n1 1227927545 764447419 /nfs/dbraw/zinc/44/74/19/764447419.db2.gz CEKUCAGKMMOONV-MRVPVSSYSA-N 0 0 195.649 2.832 10 0 AFAERN CCc1ccc(C[N@@H+]2CC[C@H]2C)s1 1231500045 764529797 /nfs/dbraw/zinc/52/97/97/764529797.db2.gz PDYPDPGNHRYYLX-SECBINFHSA-N 0 0 195.331 2.905 10 0 AFAERN CCc1ccc(C[N@@H+]2CC[C@@H]2C)s1 1231500048 764530237 /nfs/dbraw/zinc/53/02/37/764530237.db2.gz PDYPDPGNHRYYLX-VIFPVBQESA-N 0 0 195.331 2.905 10 0 AFAERN C[C@@H]1CCN1Cc1ccc(Cl)o1 1233313992 764554436 /nfs/dbraw/zinc/55/44/36/764554436.db2.gz AYPWWINLGFGDOD-SSDOTTSWSA-N 0 0 185.654 2.527 10 0 AFAERN C[C@H]1CCN1Cc1ccc(Cl)o1 1233313993 764557462 /nfs/dbraw/zinc/55/74/62/764557462.db2.gz AYPWWINLGFGDOD-ZETCQYMHSA-N 0 0 185.654 2.527 10 0 AFAERN Clc1sccc1CN1CC=CC1 1233053987 764560235 /nfs/dbraw/zinc/56/02/35/764560235.db2.gz XYSROLARAFVDSO-UHFFFAOYSA-N 0 0 199.706 2.773 10 0 AFAERN Cc1sccc1CN1CCCCO1 1237964852 764714669 /nfs/dbraw/zinc/71/46/69/764714669.db2.gz PBJKJRULEULQHE-UHFFFAOYSA-N 0 0 197.303 2.584 10 0 AFAERN Cc1sccc1CN1CC(C)(F)C1 1237965543 764718272 /nfs/dbraw/zinc/71/82/72/764718272.db2.gz BMQGQIDDFHXYJG-UHFFFAOYSA-N 0 0 199.294 2.600 10 0 AFAERN Cc1ccc(-c2cnc(F)nc2)cc1 1239479164 764790555 /nfs/dbraw/zinc/79/05/55/764790555.db2.gz IVVHKUMJBUXDSH-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1nc(F)ccc1-c1ccoc1 1239688275 764817722 /nfs/dbraw/zinc/81/77/22/764817722.db2.gz OYMRPWGGCVMFFC-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN Fc1ccnc(C2=CCCC2)c1 1239783461 764824621 /nfs/dbraw/zinc/82/46/21/764824621.db2.gz GMHMUGGYUTZXAE-UHFFFAOYSA-N 0 0 163.195 2.788 10 0 AFAERN Fc1cccc(C2=CCCC2)n1 1239784369 764824851 /nfs/dbraw/zinc/82/48/51/764824851.db2.gz YMRFVFNJYPAGCR-UHFFFAOYSA-N 0 0 163.195 2.788 10 0 AFAERN Fc1cncc(C2=CCCC2)c1 1239787110 764828963 /nfs/dbraw/zinc/82/89/63/764828963.db2.gz VFFUGTOQJJEFIS-UHFFFAOYSA-N 0 0 163.195 2.788 10 0 AFAERN COc1ccc(C2=CCCC2)nc1F 1239788734 764830345 /nfs/dbraw/zinc/83/03/45/764830345.db2.gz WFYGHZPZRGCGRJ-UHFFFAOYSA-N 0 0 193.221 2.797 10 0 AFAERN Cc1ccncc1-c1cccc(F)n1 1239971907 764836026 /nfs/dbraw/zinc/83/60/26/764836026.db2.gz JWLRBRSUVQLMNB-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CC(C)c1cccc(-c2cn[nH]c2)n1 1240238921 764839614 /nfs/dbraw/zinc/83/96/14/764839614.db2.gz AEVDNOLOHRTCKX-UHFFFAOYSA-N 0 0 187.246 2.595 10 0 AFAERN Cn1ccc2cc(-c3cn[nH]c3)ccc21 1240241778 764841174 /nfs/dbraw/zinc/84/11/74/764841174.db2.gz DJKXRYCGSHQUIL-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN Cc1cc(-c2cn[nH]c2)ccc1F 1240240821 764841215 /nfs/dbraw/zinc/84/12/15/764841215.db2.gz CMNCWZLMUJUMOK-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN c1cc(C2CC2)ccc1-c1cn[nH]c1 1240241623 764841223 /nfs/dbraw/zinc/84/12/23/764841223.db2.gz BUFUPTJEVZLJRL-UHFFFAOYSA-N 0 0 184.242 2.954 10 0 AFAERN Cc1c(F)cccc1-c1cn[nH]c1 1240241326 764841334 /nfs/dbraw/zinc/84/13/34/764841334.db2.gz NLEDGUKTHSDDLQ-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN Cc1cc(F)cc(-c2cn[nH]c2)c1 1240241685 764841447 /nfs/dbraw/zinc/84/14/47/764841447.db2.gz AUKFKZVLKQSNQZ-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN Cc1cccc(F)c1-c1cn[nH]c1 1240241734 764841746 /nfs/dbraw/zinc/84/17/46/764841746.db2.gz CZNWHXUQPSCHBV-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN Cc1cc(F)ccc1-c1cn[nH]c1 1240241156 764841942 /nfs/dbraw/zinc/84/19/42/764841942.db2.gz JBYQWIVRWIZXAQ-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN CSc1cccc(-c2cn[nH]c2)c1 1240241765 764842024 /nfs/dbraw/zinc/84/20/24/764842024.db2.gz YBTLPKDJNIFCAI-UHFFFAOYSA-N 0 0 190.271 2.799 10 0 AFAERN Cc1c(-c2cn[nH]c2)ccc(F)c1F 1240241720 764842052 /nfs/dbraw/zinc/84/20/52/764842052.db2.gz CUDWVVQBDSVLAW-UHFFFAOYSA-N 0 0 194.184 2.663 10 0 AFAERN CSc1ccccc1-c1cn[nH]c1 1240241148 764842147 /nfs/dbraw/zinc/84/21/47/764842147.db2.gz IXPIQADYSPSAMA-UHFFFAOYSA-N 0 0 190.271 2.799 10 0 AFAERN c1ccc(C2CC2)c(-c2cn[nH]c2)c1 1240242521 764846582 /nfs/dbraw/zinc/84/65/82/764846582.db2.gz AWKVXQUOYDZBNZ-UHFFFAOYSA-N 0 0 184.242 2.954 10 0 AFAERN c1cc2c(c(-c3cn[nH]c3)c1)CCC2 1240242704 764846626 /nfs/dbraw/zinc/84/66/26/764846626.db2.gz VNUPLXNDOHYWCO-UHFFFAOYSA-N 0 0 184.242 2.565 10 0 AFAERN c1cnc2cc(-c3cn[nH]c3)ccc2c1 1240241849 764846806 /nfs/dbraw/zinc/84/68/06/764846806.db2.gz DABIVUHJGKVTKP-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN C=Cc1cccc(-c2cnn(C)c2)c1 1240296289 764850183 /nfs/dbraw/zinc/85/01/83/764850183.db2.gz XLTHTBCJKJYFFS-UHFFFAOYSA-N 0 0 184.242 2.730 10 0 AFAERN C=Cc1ccccc1-c1cnn(C)c1 1240296304 764850375 /nfs/dbraw/zinc/85/03/75/764850375.db2.gz YPTMNBYEALJOBV-UHFFFAOYSA-N 0 0 184.242 2.730 10 0 AFAERN C=Cc1ccc(-c2cnn(C)c2)cc1 1240296094 764850422 /nfs/dbraw/zinc/85/04/22/764850422.db2.gz HNTLMJIMYVTPHZ-UHFFFAOYSA-N 0 0 184.242 2.730 10 0 AFAERN Cc1ccnnc1-c1ccsc1C 1240499104 764857829 /nfs/dbraw/zinc/85/78/29/764857829.db2.gz OEEZREJEMGLVMU-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1nccnc1-c1ccsc1C 1240499055 764857901 /nfs/dbraw/zinc/85/79/01/764857901.db2.gz LULVUJGZSSFKJW-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1nccc(-c2ccsc2C)n1 1240499226 764857963 /nfs/dbraw/zinc/85/79/63/764857963.db2.gz QLJVSMNNHDLQSY-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1sccc1-c1cccnn1 1240498433 764857986 /nfs/dbraw/zinc/85/79/86/764857986.db2.gz CYOUNKSBDMMZAK-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1sccc1-c1ncncc1F 1240499269 764858083 /nfs/dbraw/zinc/85/80/83/764858083.db2.gz SLKMPRPROWOWQG-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1cc(-c2ccsc2C)ncn1 1240499505 764858572 /nfs/dbraw/zinc/85/85/72/764858572.db2.gz YYMLAQCQAQXDAH-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1cnnc(-c2ccsc2C)c1 1240498258 764858652 /nfs/dbraw/zinc/85/86/52/764858652.db2.gz BNTNWKIDGVMUDR-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1cncnc1-c1ccsc1C 1240499432 764859073 /nfs/dbraw/zinc/85/90/73/764859073.db2.gz WGPACNBPOKSIJI-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1sccc1-c1cnc(F)nc1 1240500051 764859575 /nfs/dbraw/zinc/85/95/75/764859575.db2.gz HGPOIJLLJINGGU-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN COc1ccc(C=C(C)C)nc1F 1240635341 764871123 /nfs/dbraw/zinc/87/11/23/764871123.db2.gz KWMUWQXRJDJGPC-UHFFFAOYSA-N 0 0 181.210 2.653 10 0 AFAERN Cc1cncc(-c2cccc(F)n2)c1 1240799768 764880902 /nfs/dbraw/zinc/88/09/02/764880902.db2.gz FZXZSTMEHHHEPU-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN C=Cc1ccc2c(c1)C[C@@H](C)O2 1240829635 764888316 /nfs/dbraw/zinc/88/83/16/764888316.db2.gz OKAXOIPSTNVTHN-MRVPVSSYSA-N 0 0 160.216 2.653 10 0 AFAERN C=Cc1ccc2c(c1)C[C@H](C)O2 1240829637 764889096 /nfs/dbraw/zinc/88/90/96/764889096.db2.gz OKAXOIPSTNVTHN-QMMMGPOBSA-N 0 0 160.216 2.653 10 0 AFAERN C=Cc1ccnc(C(F)(F)F)c1 1240829973 764890241 /nfs/dbraw/zinc/89/02/41/764890241.db2.gz PGDDDGIAINLRNO-UHFFFAOYSA-N 0 0 173.137 2.743 10 0 AFAERN C=Cc1cc(F)c(F)cc1OC 1240829889 764890381 /nfs/dbraw/zinc/89/03/81/764890381.db2.gz HUPQWOCMMFLJEB-UHFFFAOYSA-N 0 0 170.158 2.616 10 0 AFAERN C=Cc1cc(C)c(OC)c(C)c1 1240830224 764890514 /nfs/dbraw/zinc/89/05/14/764890514.db2.gz MVUXWFCEHVBIPB-UHFFFAOYSA-N 0 0 162.232 2.955 10 0 AFAERN C=Cc1cccnc1C(F)(F)F 1240829977 764891295 /nfs/dbraw/zinc/89/12/95/764891295.db2.gz PLTXUKKMGKBVGY-UHFFFAOYSA-N 0 0 173.137 2.743 10 0 AFAERN C=Cc1cc(F)cc(F)c1OC 1240830004 764892291 /nfs/dbraw/zinc/89/22/91/764892291.db2.gz SJTHFOZYBZZPMF-UHFFFAOYSA-N 0 0 170.158 2.616 10 0 AFAERN C=Cc1ccc2ccn(C)c2c1 1240830413 764894980 /nfs/dbraw/zinc/89/49/80/764894980.db2.gz YXQYCQMMCKWSRF-UHFFFAOYSA-N 0 0 157.216 2.821 10 0 AFAERN C=Cc1cc(F)ccc1N(C)C 1240831040 764895470 /nfs/dbraw/zinc/89/54/70/764895470.db2.gz QNFQPOJJGLOBOE-UHFFFAOYSA-N 0 0 165.211 2.535 10 0 AFAERN C=Cc1c(F)cccc1OCC 1240831704 764897290 /nfs/dbraw/zinc/89/72/90/764897290.db2.gz KTSQIQKNRUXWET-UHFFFAOYSA-N 0 0 166.195 2.867 10 0 AFAERN C=Cc1ccc(F)c(F)c1OC 1240832897 764909103 /nfs/dbraw/zinc/90/91/03/764909103.db2.gz AOBXZQVBVYKVDE-UHFFFAOYSA-N 0 0 170.158 2.616 10 0 AFAERN C=Cc1cc(C)c(C)cc1OC 1240833978 764914752 /nfs/dbraw/zinc/91/47/52/764914752.db2.gz XOWMSAUDQLIBNS-UHFFFAOYSA-N 0 0 162.232 2.955 10 0 AFAERN CCc1ccncc1-c1ccccc1N 1241073277 764947690 /nfs/dbraw/zinc/94/76/90/764947690.db2.gz YPRFJLQTHLOILQ-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1cc(C)nc(-c2ccccc2N)c1 1241051384 764954235 /nfs/dbraw/zinc/95/42/35/764954235.db2.gz UVOVZWLRNIMFPN-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1nc(F)ccc1-c1cncs1 1241497336 764965210 /nfs/dbraw/zinc/96/52/10/764965210.db2.gz SAJKIIYZQHNNKO-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CCc1ccncc1-c1ccc(N)cc1 1241543876 764971656 /nfs/dbraw/zinc/97/16/56/764971656.db2.gz LZZZBYGMPBIKLB-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Nc1cc[nH+]c(C2=CCCCC2)c1 1241713958 764981419 /nfs/dbraw/zinc/98/14/19/764981419.db2.gz VNXKMCXAYGIQMU-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN CCc1cccc(-c2cscn2)n1 1241891545 764993106 /nfs/dbraw/zinc/99/31/06/764993106.db2.gz FTEXKUKIZRNVMS-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN Cc1nc(F)ccc1-c1cscn1 1241889803 764995231 /nfs/dbraw/zinc/99/52/31/764995231.db2.gz RSZCMRPRIKRTDO-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1ncccc1-c1cscn1 1241890373 764998926 /nfs/dbraw/zinc/99/89/26/764998926.db2.gz VEGGBNFUDWRCNH-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1nc(F)ccc1-c1nccs1 1242896035 765055710 /nfs/dbraw/zinc/05/57/10/765055710.db2.gz KURSOVMVHGVZJI-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CCc1ccnc(-c2nccs2)c1 1242896281 765057809 /nfs/dbraw/zinc/05/78/09/765057809.db2.gz AAGNTPSHEAEDAE-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN Cc1ncc(-c2nccs2)s1 1243378889 765080122 /nfs/dbraw/zinc/08/01/22/765080122.db2.gz GBNCGGZCOZXDNG-UHFFFAOYSA-N 0 0 182.273 2.575 10 0 AFAERN Cc1c(F)ccc(-c2cc[nH]n2)c1C 1245311062 765115748 /nfs/dbraw/zinc/11/57/48/765115748.db2.gz AQYMLYIIJZTNAV-UHFFFAOYSA-N 0 0 190.221 2.833 10 0 AFAERN FC(F)(F)C1(c2ccccn2)CC1 1245536000 765125635 /nfs/dbraw/zinc/12/56/35/765125635.db2.gz GPSUGBKAWQLLNS-UHFFFAOYSA-N 0 0 187.164 2.676 10 0 AFAERN CC(C)c1cc(F)c(N)c(F)c1 1249860534 765355649 /nfs/dbraw/zinc/35/56/49/765355649.db2.gz LBHAEZGJMUWOBA-UHFFFAOYSA-N 0 0 171.190 2.670 10 0 AFAERN CC(C)c1ccc(O)c(F)c1F 1249860476 765355706 /nfs/dbraw/zinc/35/57/06/765355706.db2.gz DBGWKIPZVDFLLC-UHFFFAOYSA-N 0 0 172.174 2.794 10 0 AFAERN C1=C(Cc2ccccc2)COCC1 1249868749 765367496 /nfs/dbraw/zinc/36/74/96/765367496.db2.gz VDTUBRCNBFYIBN-UHFFFAOYSA-N 0 0 174.243 2.576 10 0 AFAERN Cc1cccc(CC2=CCCOC2)c1 1249873028 765367578 /nfs/dbraw/zinc/36/75/78/765367578.db2.gz OVKCAHRGZFHKRH-UHFFFAOYSA-N 0 0 188.270 2.884 10 0 AFAERN Cc1ccc(CC2=CCCOC2)cc1 1249875678 765368517 /nfs/dbraw/zinc/36/85/17/765368517.db2.gz BFPFQCKHTZIMJU-UHFFFAOYSA-N 0 0 188.270 2.884 10 0 AFAERN Cc1ccccc1CC1=CCCOC1 1249871974 765369182 /nfs/dbraw/zinc/36/91/82/765369182.db2.gz WWBBMVLMVPCCNN-UHFFFAOYSA-N 0 0 188.270 2.884 10 0 AFAERN CC(C)(C)Cc1cc(CO)ccc1F 1249921929 765369488 /nfs/dbraw/zinc/36/94/88/765369488.db2.gz COYNLYZRKHOEIJ-UHFFFAOYSA-N 0 0 196.265 2.907 10 0 AFAERN CCC(=O)Cc1cccc(F)c1C 1249921793 765369534 /nfs/dbraw/zinc/36/95/34/765369534.db2.gz UPONVSWGHPDZOE-UHFFFAOYSA-N 0 0 180.222 2.656 10 0 AFAERN CC(C)(C)Cc1cnn(C2CC2)c1 1249921908 765369888 /nfs/dbraw/zinc/36/98/88/765369888.db2.gz AVINXRYIKULBPL-UHFFFAOYSA-N 0 0 178.279 2.807 10 0 AFAERN CC(C)(C)Cc1ccc2nccn2c1 1249921953 765370592 /nfs/dbraw/zinc/37/05/92/765370592.db2.gz FHBMBWKIGMDMHV-UHFFFAOYSA-N 0 0 188.274 2.923 10 0 AFAERN CCC(=O)Cc1ccc(F)c(F)c1C 1249921047 765370676 /nfs/dbraw/zinc/37/06/76/765370676.db2.gz FBLREOZNXQOHEV-UHFFFAOYSA-N 0 0 198.212 2.795 10 0 AFAERN CCC(=O)Cc1cc(C)cc(OC)c1 1249921641 765370745 /nfs/dbraw/zinc/37/07/45/765370745.db2.gz WGPWXJNEGVZSIF-UHFFFAOYSA-N 0 0 192.258 2.525 10 0 AFAERN Cc1ccncc1CC(C)(C)C 1249921976 765370848 /nfs/dbraw/zinc/37/08/48/765370848.db2.gz HCAKXJNMNWKXBZ-UHFFFAOYSA-N 0 0 163.264 2.979 10 0 AFAERN COc1ccncc1CC(C)(C)C 1249921968 765371009 /nfs/dbraw/zinc/37/10/09/765371009.db2.gz GKORYGHQLWYMQT-UHFFFAOYSA-N 0 0 179.263 2.679 10 0 AFAERN CCC(=O)Cc1ccc(C)cc1OC 1249921672 765372899 /nfs/dbraw/zinc/37/28/99/765372899.db2.gz XISULLDSPUTFDD-UHFFFAOYSA-N 0 0 192.258 2.525 10 0 AFAERN CC(C)(C)Cc1cnn(CC2CC2)c1 1249922995 765373309 /nfs/dbraw/zinc/37/33/09/765373309.db2.gz WQYVOTFPVNSIRX-UHFFFAOYSA-N 0 0 192.306 2.882 10 0 AFAERN CC(C)(C)CC1=CCCOC1 1249925614 765373854 /nfs/dbraw/zinc/37/38/54/765373854.db2.gz DTHOOGNDMGJUGM-UHFFFAOYSA-N 0 0 154.253 2.769 10 0 AFAERN COc1cc(CC(C)(C)C)c(F)cn1 1249922912 765374048 /nfs/dbraw/zinc/37/40/48/765374048.db2.gz SXZNDYVTYUVJGE-UHFFFAOYSA-N 0 0 197.253 2.818 10 0 AFAERN CC(C)(C)Cc1cc(F)ccc1CO 1249926736 765374730 /nfs/dbraw/zinc/37/47/30/765374730.db2.gz CRCUUTAAEZKORH-UHFFFAOYSA-N 0 0 196.265 2.907 10 0 AFAERN COc1cncc(CC(C)(C)C)c1C 1249925762 765375765 /nfs/dbraw/zinc/37/57/65/765375765.db2.gz MQAYARHMCLNXIT-UHFFFAOYSA-N 0 0 193.290 2.987 10 0 AFAERN CC(C)(C)CC1=CCOCC1 1249922488 765376208 /nfs/dbraw/zinc/37/62/08/765376208.db2.gz QUAXIWKYIIGUMF-UHFFFAOYSA-N 0 0 154.253 2.769 10 0 AFAERN COc1ncc(C)cc1CC(C)(C)C 1249923038 765376392 /nfs/dbraw/zinc/37/63/92/765376392.db2.gz YPDIUWDUFCOXBW-UHFFFAOYSA-N 0 0 193.290 2.987 10 0 AFAERN COc1cc(C)c(CC(C)(C)C)cn1 1249926647 765376413 /nfs/dbraw/zinc/37/64/13/765376413.db2.gz ABWXHFCBPNCZHU-UHFFFAOYSA-N 0 0 193.290 2.987 10 0 AFAERN CC(C)(C)Cc1cnc(C2CC2)nc1 1249922475 765376418 /nfs/dbraw/zinc/37/64/18/765376418.db2.gz QBAFJSLOTNBTNL-UHFFFAOYSA-N 0 0 190.290 2.943 10 0 AFAERN COc1ncc(CC(C)(C)C)s1 1249922390 765376534 /nfs/dbraw/zinc/37/65/34/765376534.db2.gz LQYXWCKBMWSYAL-UHFFFAOYSA-N 0 0 185.292 2.740 10 0 AFAERN CC(C)(C)Cc1cnn(C(F)F)c1 1249926781 765377453 /nfs/dbraw/zinc/37/74/53/765377453.db2.gz DYLZEAFHRPWIOW-UHFFFAOYSA-N 0 0 188.221 2.867 10 0 AFAERN CC(C)(C)Cc1cc(N)ccc1F 1249926825 765377567 /nfs/dbraw/zinc/37/75/67/765377567.db2.gz GMZILYNUYWLSNK-UHFFFAOYSA-N 0 0 181.254 2.997 10 0 AFAERN CC(C)(C)Cc1cnn2ccccc12 1249927031 765378429 /nfs/dbraw/zinc/37/84/29/765378429.db2.gz IQADMJODJASPEU-UHFFFAOYSA-N 0 0 188.274 2.923 10 0 AFAERN CC(C)(C)Cc1ccc(CO)c(F)c1 1249927754 765378550 /nfs/dbraw/zinc/37/85/50/765378550.db2.gz VWIAOETVPGGPKY-UHFFFAOYSA-N 0 0 196.265 2.907 10 0 AFAERN CC(C)Cc1cc(F)ccc1CO 1249927313 765378573 /nfs/dbraw/zinc/37/85/73/765378573.db2.gz LZLNDWJKORUCSU-UHFFFAOYSA-N 0 0 182.238 2.517 10 0 AFAERN CC(=O)c1ccc(CC(C)(C)C)cn1 1249927685 765378719 /nfs/dbraw/zinc/37/87/19/765378719.db2.gz SMCLTHUXGBDBOQ-UHFFFAOYSA-N 0 0 191.274 2.873 10 0 AFAERN COc1ccc(O)cc1CC(C)(C)C 1249927198 765379397 /nfs/dbraw/zinc/37/93/97/765379397.db2.gz LQQKUECXFCKTNU-UHFFFAOYSA-N 0 0 194.274 2.989 10 0 AFAERN Cc1ncc(CC(C)(C)C)cc1N 1249927353 765379681 /nfs/dbraw/zinc/37/96/81/765379681.db2.gz NYWHVPXZURPXDM-UHFFFAOYSA-N 0 0 178.279 2.561 10 0 AFAERN COc1ccc(CC(C)(C)C)c(C)n1 1249927738 765380166 /nfs/dbraw/zinc/38/01/66/765380166.db2.gz VEOYBYUWLSMFRQ-UHFFFAOYSA-N 0 0 193.290 2.987 10 0 AFAERN CCc1cnn(Cc2cccs2)c1 1249932513 765382223 /nfs/dbraw/zinc/38/22/23/765382223.db2.gz MZOPVBACUFQNAP-UHFFFAOYSA-N 0 0 192.287 2.555 10 0 AFAERN COCCc1ccccc1SC 1249937956 765385810 /nfs/dbraw/zinc/38/58/10/765385810.db2.gz GBYOJOUBDKMKSG-UHFFFAOYSA-N 0 0 182.288 2.597 10 0 AFAERN COCCc1ccc(C)cc1Cl 1249938993 765390271 /nfs/dbraw/zinc/39/02/71/765390271.db2.gz SXHKJBIKXIZOOH-UHFFFAOYSA-N 0 0 184.666 2.837 10 0 AFAERN C1=C(CCc2ccccc2)COCC1 1249946407 765398675 /nfs/dbraw/zinc/39/86/75/765398675.db2.gz ZZRVYDTUZJSPCN-UHFFFAOYSA-N 0 0 188.270 2.966 10 0 AFAERN CC(C)=CCc1ccc(F)cn1 1249951462 765409453 /nfs/dbraw/zinc/40/94/53/765409453.db2.gz HEEFJPKSBJTDQC-UHFFFAOYSA-N 0 0 165.211 2.729 10 0 AFAERN CC(C)=CCc1ncccc1F 1249952942 765412328 /nfs/dbraw/zinc/41/23/28/765412328.db2.gz GPXAHLSPVRAGPQ-UHFFFAOYSA-N 0 0 165.211 2.729 10 0 AFAERN CCOc1ccc(CC=C(C)C)cn1 1249951878 765413579 /nfs/dbraw/zinc/41/35/79/765413579.db2.gz PSIHPKJFNNHZBD-UHFFFAOYSA-N 0 0 191.274 2.989 10 0 AFAERN CC(C)=CCC1=CCCOC1 1249953075 765413892 /nfs/dbraw/zinc/41/38/92/765413892.db2.gz VGNUPNOVPYBCOJ-UHFFFAOYSA-N 0 0 152.237 2.689 10 0 AFAERN CC(=O)c1cc(CCC(C)C)ccn1 1249964283 765422655 /nfs/dbraw/zinc/42/26/55/765422655.db2.gz FANUGKPLCGKMJN-UHFFFAOYSA-N 0 0 191.274 2.873 10 0 AFAERN CC(C)CCc1cc(N)ccc1F 1249964226 765423032 /nfs/dbraw/zinc/42/30/32/765423032.db2.gz BKDLJFLSNFPGMK-UHFFFAOYSA-N 0 0 181.254 2.997 10 0 AFAERN CC(C)CCc1cc(F)ccc1CO 1249964232 765423303 /nfs/dbraw/zinc/42/33/03/765423303.db2.gz BNMRIUNKBJNPAD-UHFFFAOYSA-N 0 0 196.265 2.907 10 0 AFAERN CNc1ccc(CCC(C)C)cn1 1249964809 765425528 /nfs/dbraw/zinc/42/55/28/765425528.db2.gz QYDVLNHVMMHRFN-UHFFFAOYSA-N 0 0 178.279 2.712 10 0 AFAERN COc1ccc(CCC(C)C)cc1N 1249965206 765426341 /nfs/dbraw/zinc/42/63/41/765426341.db2.gz BDOXFBTVHVYGFJ-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN CC(C)CCC1=CCCOC1 1249965392 765426384 /nfs/dbraw/zinc/42/63/84/765426384.db2.gz OSSTYIZNVIBBEG-UHFFFAOYSA-N 0 0 154.253 2.769 10 0 AFAERN CC(=O)c1ccc(CCC(C)C)cn1 1249964930 765427027 /nfs/dbraw/zinc/42/70/27/765427027.db2.gz WAFWEDQBFHJYGW-UHFFFAOYSA-N 0 0 191.274 2.873 10 0 AFAERN CCCCc1cc(F)ccc1CO 1249978258 765432858 /nfs/dbraw/zinc/43/28/58/765432858.db2.gz LNPJKRNRVIVSNG-UHFFFAOYSA-N 0 0 182.238 2.661 10 0 AFAERN Fc1ccccc1CC1=CCCOC1 1249988006 765437722 /nfs/dbraw/zinc/43/77/22/765437722.db2.gz WIKLOIPLOYAUCR-UHFFFAOYSA-N 0 0 192.233 2.715 10 0 AFAERN Fc1cccc(CC2=CCCOC2)c1 1249990791 765438479 /nfs/dbraw/zinc/43/84/79/765438479.db2.gz FUMGPOWMZZZKKM-UHFFFAOYSA-N 0 0 192.233 2.715 10 0 AFAERN Fc1ccc(CC2=CCCOC2)cc1 1249994459 765438739 /nfs/dbraw/zinc/43/87/39/765438739.db2.gz QUDOOKAOSYPRPW-UHFFFAOYSA-N 0 0 192.233 2.715 10 0 AFAERN Oc1cccc(CC(F)(F)F)c1F 1250030002 765439444 /nfs/dbraw/zinc/43/94/44/765439444.db2.gz GXNPQEOKJUZMCU-UHFFFAOYSA-N 0 0 194.127 2.636 10 0 AFAERN Oc1cc(Cl)cc(C2CC2)c1 1250032782 765443880 /nfs/dbraw/zinc/44/38/80/765443880.db2.gz IMWKWBFVJQZOPS-UHFFFAOYSA-N 0 0 168.623 2.923 10 0 AFAERN COCc1ccccc1C1CC1 1250032560 765444563 /nfs/dbraw/zinc/44/45/63/765444563.db2.gz SYRZRYACAYQLOZ-UHFFFAOYSA-N 0 0 162.232 2.710 10 0 AFAERN OCc1cccc(C2CC2)c1Cl 1250035044 765446704 /nfs/dbraw/zinc/44/67/04/765446704.db2.gz VHMIFTYIZBEIFE-UHFFFAOYSA-N 0 0 182.650 2.710 10 0 AFAERN c1cc(C2CC2)c(C2CC2)cn1 1250035013 765448625 /nfs/dbraw/zinc/44/86/25/765448625.db2.gz SGOOPWLKXCJUPX-UHFFFAOYSA-N 0 0 159.232 2.836 10 0 AFAERN Cc1cc(C)c(N)c(C2CC2)c1 1250034785 765449295 /nfs/dbraw/zinc/44/92/95/765449295.db2.gz CIKOMHFYTSNYBK-UHFFFAOYSA-N 0 0 161.248 2.763 10 0 AFAERN COc1cccc(CC2CC2)c1 1250036243 765450641 /nfs/dbraw/zinc/45/06/41/765450641.db2.gz NEPQPNZXRKXZHB-UHFFFAOYSA-N 0 0 162.232 2.648 10 0 AFAERN CC(=O)c1cc(CC2CC2)cs1 1250037667 765454613 /nfs/dbraw/zinc/45/46/13/765454613.db2.gz GUNVJSVBPLLGLH-UHFFFAOYSA-N 0 0 180.272 2.903 10 0 AFAERN Cc1sccc1C[C@H]1CCCO1 1250101346 766921051 /nfs/dbraw/zinc/92/10/51/766921051.db2.gz ZIYRQKUPUWWQQX-SNVBAGLBSA-N 0 0 182.288 2.778 10 0 AFAERN Cc1sccc1C[C@@H]1CCCO1 1250101345 766923151 /nfs/dbraw/zinc/92/31/51/766923151.db2.gz ZIYRQKUPUWWQQX-JTQLQIEISA-N 0 0 182.288 2.778 10 0 AFAERN C1=C(CC2CCC2)COCC1 1250142452 766952884 /nfs/dbraw/zinc/95/28/84/766952884.db2.gz XZYPOPBLHTYJJT-UHFFFAOYSA-N 0 0 152.237 2.523 10 0 AFAERN OCc1ccc(F)cc1CC1CCC1 1250143001 766967469 /nfs/dbraw/zinc/96/74/69/766967469.db2.gz OZSPCFFCPSFCIP-UHFFFAOYSA-N 0 0 194.249 2.661 10 0 AFAERN Nc1ccccc1CCCCF 1250261809 767013683 /nfs/dbraw/zinc/01/36/83/767013683.db2.gz RKKDHVRXUVHNRK-UHFFFAOYSA-N 0 0 167.227 2.561 10 0 AFAERN C1=C(CC2CCCC2)COCC1 1250429819 767051316 /nfs/dbraw/zinc/05/13/16/767051316.db2.gz KTOARAUZHFCNDN-UHFFFAOYSA-N 0 0 166.264 2.913 10 0 AFAERN OCc1ccc(CC2CCCC2)cc1 1250429490 767052475 /nfs/dbraw/zinc/05/24/75/767052475.db2.gz JDSFTHLJXGNLGP-UHFFFAOYSA-N 0 0 190.286 2.912 10 0 AFAERN Cc1ccnc(-c2ccsc2C)n1 1250450224 767059927 /nfs/dbraw/zinc/05/99/27/767059927.db2.gz RHPFXMSGVXOREQ-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1ccc(-c2cccnc2F)nc1 1250484015 767061048 /nfs/dbraw/zinc/06/10/48/767061048.db2.gz ZFPXWADTSMUYBB-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cncc(-c2cccnc2F)c1 1250483357 767061410 /nfs/dbraw/zinc/06/14/10/767061410.db2.gz LUTZYUVPWTVKES-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1sccc1-c1ncc(F)cn1 1250473311 767061506 /nfs/dbraw/zinc/06/15/06/767061506.db2.gz WMQGHQVAUGBGDB-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1ncccc1-c1cccnc1F 1250482811 767061973 /nfs/dbraw/zinc/06/19/73/767061973.db2.gz DALKQPPDYJMODD-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1ncc(-c2cccnc2F)s1 1250483680 767062008 /nfs/dbraw/zinc/06/20/08/767062008.db2.gz QQFIBZFIBJHOBI-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1ccncc1-c1cccnc1F 1250482501 767063287 /nfs/dbraw/zinc/06/32/87/767063287.db2.gz XLGVETNGUKCKIZ-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1sccc1-c1ccncn1 1250490491 767063449 /nfs/dbraw/zinc/06/34/49/767063449.db2.gz FCPKSNCXWHMSCE-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1cnccc1-c1cccnc1F 1250484457 767063640 /nfs/dbraw/zinc/06/36/40/767063640.db2.gz WDJRFVQYBWQZAG-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN COCc1cccc(-c2ccccn2)c1 1250511322 767066310 /nfs/dbraw/zinc/06/63/10/767066310.db2.gz CZXBXDBHQILTJG-UHFFFAOYSA-N 0 0 199.253 2.895 10 0 AFAERN Cc1cnc(-c2ccsc2C)nc1 1250493800 767068308 /nfs/dbraw/zinc/06/83/08/767068308.db2.gz FOIRSMZVSLGVDP-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1cc(C)cc(-c2cn[nH]c2)c1 1250555276 767069070 /nfs/dbraw/zinc/06/90/70/767069070.db2.gz VPTLNOXJSRFGMC-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN Cc1cccc(C)c1-c1cn[nH]c1 1250548800 767069708 /nfs/dbraw/zinc/06/97/08/767069708.db2.gz KJWOIGLMJOXDBF-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN Cc1ccc(-c2ccsc2C)nn1 1250518243 767070133 /nfs/dbraw/zinc/07/01/33/767070133.db2.gz WBTIZNBNQCOVEB-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN C1=C(c2ccsc2)CCOC1 1250592621 767072703 /nfs/dbraw/zinc/07/27/03/767072703.db2.gz DILUUVFTIFWIDR-UHFFFAOYSA-N 0 0 166.245 2.552 10 0 AFAERN Cc1ncc(-c2nc3ccccc3[nH]2)o1 1251326205 767083972 /nfs/dbraw/zinc/08/39/72/767083972.db2.gz CDKJKSBHXNEDNF-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN Cc1nnc(CCC2CCCCC2)o1 1253362575 767207105 /nfs/dbraw/zinc/20/71/05/767207105.db2.gz ICBYZGHBDXUDDN-UHFFFAOYSA-N 0 0 194.278 2.891 10 0 AFAERN CCC[C@H](CC)c1nnc(C)o1 1253415277 767210728 /nfs/dbraw/zinc/21/07/28/767210728.db2.gz IYVDYSRBLKRKER-QMMMGPOBSA-N 0 0 168.240 2.672 10 0 AFAERN CCC[C@](C)(CC)c1nnc(C)o1 1253415064 767210869 /nfs/dbraw/zinc/21/08/69/767210869.db2.gz FHDBQODGDUTZHN-JTQLQIEISA-N 0 0 182.267 2.846 10 0 AFAERN CCC[C@@H](CC)c1nnc(C)o1 1253415276 767211738 /nfs/dbraw/zinc/21/17/38/767211738.db2.gz IYVDYSRBLKRKER-MRVPVSSYSA-N 0 0 168.240 2.672 10 0 AFAERN CCC[C@@](C)(CC)c1nnc(C)o1 1253415076 767213056 /nfs/dbraw/zinc/21/30/56/767213056.db2.gz FHDBQODGDUTZHN-SNVBAGLBSA-N 0 0 182.267 2.846 10 0 AFAERN CC(C)C=CC(=O)c1ccoc1 100826429 560052493 /nfs/dbraw/zinc/05/24/93/560052493.db2.gz MGIXHQSSTZKVOO-UHFFFAOYSA-N 0 0 164.204 2.819 10 0 endogenous,in-man AFAERN CCC/C=C/C=C\C(=O)NCC(C)C 95912393 560057245 /nfs/dbraw/zinc/05/72/45/560057245.db2.gz VZASTVPVPUAAJK-MUIOLIGRSA-N 0 0 195.306 2.671 10 0 biogenic,in-vitro AFAERN CC/C(C)=C1\OC(=O)c2ccccc21 34144101 560087466 /nfs/dbraw/zinc/08/74/66/560087466.db2.gz QHZQHIXQULVPHW-FLIBITNWSA-N 0 0 188.226 2.998 10 0 biogenic,in-vitro AFAERN c1cc2cnc3sccc3c2cn1 334024 560177911 /nfs/dbraw/zinc/17/79/11/560177911.db2.gz VATAXIZKQYLONB-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 in-vitro AFAERN ONc1cccc2ccccc12 2034471 560185971 /nfs/dbraw/zinc/18/59/71/560185971.db2.gz CWFINLADSFPMHF-UHFFFAOYSA-N 0 0 159.188 2.641 10 0 in-vitro AFAERN Cc1cc2ncccc2c(C)c1O 3646024 560189180 /nfs/dbraw/zinc/18/91/80/560189180.db2.gz XHRDWPWBNUKKAS-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 biogenic,in-vitro AFAERN Cc1cc(O)c2c(O)cccc2c1 4654691 560198919 /nfs/dbraw/zinc/19/89/19/560198919.db2.gz MXAXVWCKFBLVSU-UHFFFAOYSA-N 0 0 174.199 2.559 10 0 in-vitro AFAERN CCCC[C@@H]1OC(=O)[C@@H]2C=CCC[C@H]12 5822255 560203301 /nfs/dbraw/zinc/20/33/01/560203301.db2.gz UXDIXFDKSPCUIX-AXFHLTTASA-N 0 0 194.274 2.684 10 0 biogenic,in-vitro AFAERN Cc1cc2cccc(=O)c-2c(C)[nH]1 6522159 560205989 /nfs/dbraw/zinc/20/59/89/560205989.db2.gz VURVLXBBBLUBSZ-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 in-vitro AFAERN Cc1cc(O)cc2c1OC(C)(C)C=C2 14822242 560226837 /nfs/dbraw/zinc/22/68/37/560226837.db2.gz UGRCUEXFQNLHMI-UHFFFAOYSA-N 0 0 190.242 2.885 10 0 biogenic,in-vitro AFAERN CC(C)CC[C@@H](C)NCC(F)(F)F 19807550 1169059610 /nfs/dbraw/zinc/05/96/10/1169059610.db2.gz HKBICRWNDQLUEK-MRVPVSSYSA-N 0 0 197.244 2.963 10 0 AFAERN CC(C)CC[C@H](C)NCC(F)(F)F 19807551 1169059669 /nfs/dbraw/zinc/05/96/69/1169059669.db2.gz HKBICRWNDQLUEK-QMMMGPOBSA-N 0 0 197.244 2.963 10 0 AFAERN CC[C@H](C)Nc1ccc(C)cn1 21023833 1169062805 /nfs/dbraw/zinc/06/28/05/1169062805.db2.gz VPYFPIROLXCVEB-VIFPVBQESA-N 0 0 164.252 2.600 10 0 AFAERN CCc1coc2ccccc12 24429083 1169063594 /nfs/dbraw/zinc/06/35/94/1169063594.db2.gz BELMSLQEYXXRGC-UHFFFAOYSA-N 0 0 146.189 2.995 10 0 AFAERN COc1ccccc1Cc1ccccn1 32207904 1169064257 /nfs/dbraw/zinc/06/42/57/1169064257.db2.gz QYJALUXHKIBSBS-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN Cc1ccc(N)c(-c2ccc(O)cc2)c1 31996880 1169064310 /nfs/dbraw/zinc/06/43/10/1169064310.db2.gz YOHZDNRUFCBGSA-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN CCc1cscc1C 32155264 1169065090 /nfs/dbraw/zinc/06/50/90/1169065090.db2.gz QMHNYDJBWOPGHE-UHFFFAOYSA-N 0 0 126.224 2.619 10 0 AFAERN Cc1oncc1-c1ccccc1 32197987 1169065126 /nfs/dbraw/zinc/06/51/26/1169065126.db2.gz WEDVCCIEDIQHRI-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN CCCCc1ccc(O)c(OC)c1 33605053 1169066046 /nfs/dbraw/zinc/06/60/46/1169066046.db2.gz JELKTTPLDWFYNC-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN CCCc1ccc(OC)cc1OC 32162452 1169066183 /nfs/dbraw/zinc/06/61/83/1169066183.db2.gz NYXSVTHOEZXHHR-UHFFFAOYSA-N 0 0 180.247 2.656 10 0 AFAERN Cc1ccc(O)c(-c2ccc(N)cc2)c1 33427407 1169066195 /nfs/dbraw/zinc/06/61/95/1169066195.db2.gz LHSGVRKCGPLUTR-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN COCc1ccc(C(C)C)cc1 32145432 1169066428 /nfs/dbraw/zinc/06/64/28/1169066428.db2.gz USDZMJSIPOOFFR-UHFFFAOYSA-N 0 0 164.248 2.956 10 0 AFAERN Cc1ccc(N)c(-c2cccc(O)c2)c1 32002760 1169066657 /nfs/dbraw/zinc/06/66/57/1169066657.db2.gz LFNHSHXEPCLXLR-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN Cc1noc(C)c1Cc1ccccc1 32222991 1169066808 /nfs/dbraw/zinc/06/68/08/1169066808.db2.gz JPBOUNOVBOOVFY-UHFFFAOYSA-N 0 0 187.242 2.882 10 0 AFAERN Cc1cc(C(C)C)ccn1 32167302 1169066838 /nfs/dbraw/zinc/06/68/38/1169066838.db2.gz YWVVIBOXHWIQMY-UHFFFAOYSA-N 0 0 135.210 2.513 10 0 AFAERN Cc1ccc(N)cc1-c1ccc(O)cc1 33427322 1169066914 /nfs/dbraw/zinc/06/69/14/1169066914.db2.gz TWAUMHZXTHYQSN-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN COC1CCCCCCC1 32218578 1169067008 /nfs/dbraw/zinc/06/70/08/1169067008.db2.gz FEBQZXLIAIUGGQ-UHFFFAOYSA-N 0 0 142.242 2.746 10 0 AFAERN Cc1cccc2c(=O)ccsc12 32501072 1169067152 /nfs/dbraw/zinc/06/71/52/1169067152.db2.gz LHCYQMOEXLJLDY-UHFFFAOYSA-N 0 0 176.240 2.570 10 0 AFAERN Cc1cc(-c2cccc(N)c2)cc(C)n1 33506530 1169067202 /nfs/dbraw/zinc/06/72/02/1169067202.db2.gz ADHASKYQWAONSZ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(N)cc1-c1cccc(O)c1 32002762 1169067454 /nfs/dbraw/zinc/06/74/54/1169067454.db2.gz VZOFVQMAFFRYKD-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN CCn1c(C)nc2cc(C)ccc21 34256552 1169068070 /nfs/dbraw/zinc/06/80/70/1169068070.db2.gz LWGBOYPDVJEMQT-UHFFFAOYSA-N 0 0 174.247 2.673 10 0 AFAERN Cc1ncccc1Cc1ccccc1 34153885 1169068185 /nfs/dbraw/zinc/06/81/85/1169068185.db2.gz ZKDLPXJYRZHQOD-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN CCc1cccc(OC)c1C 34104219 1169068422 /nfs/dbraw/zinc/06/84/22/1169068422.db2.gz STUWVCAKPOGSIW-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN CCCCc1cccc(C(=O)OC)c1 34246104 1169068443 /nfs/dbraw/zinc/06/84/43/1169068443.db2.gz XCSPGBPHPDCAEQ-UHFFFAOYSA-N 0 0 192.258 2.816 10 0 AFAERN Cc1cc(N)ccc1-c1ccc(N)cc1 34140503 1169068739 /nfs/dbraw/zinc/06/87/39/1169068739.db2.gz VMXLZAVIEYWCLQ-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN C1=C[C@@H](Oc2ccccc2)CC1 34068956 1169068786 /nfs/dbraw/zinc/06/87/86/1169068786.db2.gz CFMGBUCHMHFADY-LLVKDONJSA-N 0 0 160.216 2.784 10 0 AFAERN CCc1ccc(OC)c(CC)c1 34189390 1169069016 /nfs/dbraw/zinc/06/90/16/1169069016.db2.gz PDAOHDUTNGZKDZ-UHFFFAOYSA-N 0 0 164.248 2.820 10 0 AFAERN CC[C@@H](C)c1ccc2c(c1)OCO2 34191991 1169069059 /nfs/dbraw/zinc/06/90/59/1169069059.db2.gz PBIPTQSGZRQISQ-MRVPVSSYSA-N 0 0 178.231 2.929 10 0 AFAERN Cc1ccc(Cc2ccc(N)nc2)cc1 34116143 1169069112 /nfs/dbraw/zinc/06/91/12/1169069112.db2.gz YLXUACZNRPMPPG-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CC(C)/C=C/C(=O)Nc1ccccc1 33843073 1169069679 /nfs/dbraw/zinc/06/96/79/1169069679.db2.gz KINLHWPDQCZTLR-CMDGGOBGSA-N 0 0 189.258 2.837 10 0 AFAERN CCOc1ccc(C)cc1CC 34104223 1169069832 /nfs/dbraw/zinc/06/98/32/1169069832.db2.gz ZLOMELWDZKPRLF-UHFFFAOYSA-N 0 0 164.248 2.956 10 0 AFAERN COc1cccc(OC)c1C(C)C 33836413 1169070010 /nfs/dbraw/zinc/07/00/10/1169070010.db2.gz SOEWEYMTNTUIAY-UHFFFAOYSA-N 0 0 180.247 2.827 10 0 AFAERN CC(C)c1cccc2c1OCO2 34275783 1169070046 /nfs/dbraw/zinc/07/00/46/1169070046.db2.gz DMBGBAJZGAJGLD-UHFFFAOYSA-N 0 0 164.204 2.539 10 0 AFAERN CC[C@H](C)c1ccc2c(c1)OCO2 34191993 1169070216 /nfs/dbraw/zinc/07/02/16/1169070216.db2.gz PBIPTQSGZRQISQ-QMMMGPOBSA-N 0 0 178.231 2.929 10 0 AFAERN CCc1cc(C)sc1C 33952129 1169070425 /nfs/dbraw/zinc/07/04/25/1169070425.db2.gz HNWCHVKZEZCJMN-UHFFFAOYSA-N 0 0 140.251 2.927 10 0 AFAERN Nc1cc(/C=C/c2ccccc2)ccn1 34327127 1169070720 /nfs/dbraw/zinc/07/07/20/1169070720.db2.gz WLDMSTVZYSHYAN-VOTSOKGWSA-N 0 0 196.253 2.834 10 0 AFAERN CCC[C@@H](C)Oc1ccc(O)cc1 34355382 1169071201 /nfs/dbraw/zinc/07/12/01/1169071201.db2.gz WITPRPWAAXBVQQ-SECBINFHSA-N 0 0 180.247 2.960 10 0 AFAERN CCc1cc2ccccc2n1C 34448652 1169071485 /nfs/dbraw/zinc/07/14/85/1169071485.db2.gz IDZQIRPRRGQQRF-UHFFFAOYSA-N 0 0 159.232 2.741 10 0 AFAERN CCC[C@H](C)Oc1ccc(O)cc1 34355384 1169071492 /nfs/dbraw/zinc/07/14/92/1169071492.db2.gz WITPRPWAAXBVQQ-VIFPVBQESA-N 0 0 180.247 2.960 10 0 AFAERN CC(C)CCc1ccncc1 34464789 1169071872 /nfs/dbraw/zinc/07/18/72/1169071872.db2.gz BBACXGWZBLUKNG-UHFFFAOYSA-N 0 0 149.237 2.670 10 0 AFAERN c1ccc(-c2c[nH]c3ncccc23)nc1 34557698 1169072126 /nfs/dbraw/zinc/07/21/26/1169072126.db2.gz ZIWMGJYMQHEEMF-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN Clc1ccc(-c2cccnn2)cc1 34489132 1169072311 /nfs/dbraw/zinc/07/23/11/1169072311.db2.gz QKSQDAMWHZQRQK-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN CCCCCNC(=O)OCCCC 34529485 1169072472 /nfs/dbraw/zinc/07/24/72/1169072472.db2.gz IPBXEDNAFAYYQO-UHFFFAOYSA-N 0 0 187.283 2.703 10 0 AFAERN CCc1cccc(O)c1Cl 34426879 1169072671 /nfs/dbraw/zinc/07/26/71/1169072671.db2.gz UNRRZPJVYQDQPL-UHFFFAOYSA-N 0 0 156.612 2.608 10 0 AFAERN Cc1ccc(Nc2ccc(C)cn2)nc1 34499965 1169072716 /nfs/dbraw/zinc/07/27/16/1169072716.db2.gz RDWVFWDJUMFYAU-UHFFFAOYSA-N 0 0 199.257 2.837 10 0 AFAERN Cn1cncc1-c1cc2ccccc2[nH]1 36448542 1169074587 /nfs/dbraw/zinc/07/45/87/1169074587.db2.gz RXOGQCQYEHGROC-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN CCC/C=C/CC(=O)CC 36447823 1169075143 /nfs/dbraw/zinc/07/51/43/1169075143.db2.gz UWNFCYBQKWENLD-VOTSOKGWSA-N 0 0 140.226 2.712 10 0 AFAERN Nc1ccc(/C=C/c2ccccc2)nc1 36456236 1169075200 /nfs/dbraw/zinc/07/52/00/1169075200.db2.gz OLTIKNFOFWTNPP-SOFGYWHQSA-N 0 0 196.253 2.834 10 0 AFAERN CC(C)Cc1ccsc1 36455715 1169075255 /nfs/dbraw/zinc/07/52/55/1169075255.db2.gz MTBRVYIVDKZBSY-UHFFFAOYSA-N 0 0 140.251 2.947 10 0 AFAERN C1=C(c2ncnc3[nH]ccc23)CCCC1 35975896 1169075629 /nfs/dbraw/zinc/07/56/29/1169075629.db2.gz FUSPDCUCMVYMCT-UHFFFAOYSA-N 0 0 199.257 2.915 10 0 AFAERN CCCNc1cc(C)nc(C(C)C)n1 35121316 1169075795 /nfs/dbraw/zinc/07/57/95/1169075795.db2.gz PTUKDRQVIAARGH-UHFFFAOYSA-N 0 0 193.294 2.730 10 0 AFAERN CCCCOc1ccccc1O 36896822 1169075911 /nfs/dbraw/zinc/07/59/11/1169075911.db2.gz KKOWXJFINYUXEE-UHFFFAOYSA-N 0 0 166.220 2.571 10 0 AFAERN Cc1ccc(C)c(-c2cccc(N)n2)c1 38069148 1169077637 /nfs/dbraw/zinc/07/76/37/1169077637.db2.gz RGRJFIPHVRFOSQ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cc(C)cc(-c2cccc(N)n2)c1 38068901 1169077648 /nfs/dbraw/zinc/07/76/48/1169077648.db2.gz OGIVCOVOIADGBO-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(C)C[C@H](CO)Nc1ccccc1 38112857 1169078064 /nfs/dbraw/zinc/07/80/64/1169078064.db2.gz WIVAZLHKOASXFY-GFCCVEGCSA-N 0 0 193.290 2.506 10 0 AFAERN CCc1ccc(-c2cccc(N)n2)cc1 38069342 1169078157 /nfs/dbraw/zinc/07/81/57/1169078157.db2.gz OXYVEDBDFMHMDQ-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1cccc(-c2cccc(N)n2)c1 38069127 1169078284 /nfs/dbraw/zinc/07/82/84/1169078284.db2.gz JFCUAZGSIABBMJ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cn1cnc(-c2cc3ccccc3[nH]2)c1 38293090 1169078881 /nfs/dbraw/zinc/07/88/81/1169078881.db2.gz GSLHWLRLUZYWAC-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN CCc1cn(C)c2ccccc12 38265543 1169079971 /nfs/dbraw/zinc/07/99/71/1169079971.db2.gz BAJDLXDMWFRTNT-UHFFFAOYSA-N 0 0 159.232 2.741 10 0 AFAERN Cc1ccc(-c2cccc(N)n2)cc1C 38069367 1169080139 /nfs/dbraw/zinc/08/01/39/1169080139.db2.gz LSIFZOFEHCBJGK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC[C@@H](C)c1c(C)n[nH]c1C 39134100 1169082853 /nfs/dbraw/zinc/08/28/53/1169082853.db2.gz IKODTXYZHHWIPI-ZCFIWIBFSA-N 0 0 152.241 2.540 10 0 AFAERN COc1ccc(CC(C)C)cc1O 38457979 1169083268 /nfs/dbraw/zinc/08/32/68/1169083268.db2.gz VRVRCPHKCVZMKU-UHFFFAOYSA-N 0 0 180.247 2.599 10 0 AFAERN Cc1ccc(-c2cccc(N)c2C)cn1 38325257 1169083562 /nfs/dbraw/zinc/08/35/62/1169083562.db2.gz LQNMXPBEXBDIFE-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C1=C(c2ccccn2)CCC1 38890871 1169083595 /nfs/dbraw/zinc/08/35/95/1169083595.db2.gz KIIAZMYNZKHENE-UHFFFAOYSA-N 0 0 145.205 2.649 10 0 AFAERN CC[C@H](C)c1c(C)n[nH]c1C 39134101 1169083865 /nfs/dbraw/zinc/08/38/65/1169083865.db2.gz IKODTXYZHHWIPI-LURJTMIESA-N 0 0 152.241 2.540 10 0 AFAERN c1ccc(Cc2cscn2)cc1 38973427 1169084061 /nfs/dbraw/zinc/08/40/61/1169084061.db2.gz JRPCAQCMKLEXSD-UHFFFAOYSA-N 0 0 175.256 2.734 10 0 AFAERN CCCCc1ccnc(C)c1 39205444 1169084302 /nfs/dbraw/zinc/08/43/02/1169084302.db2.gz XWZBSHYSAYCYNI-UHFFFAOYSA-N 0 0 149.237 2.733 10 0 AFAERN Cc1ccc(Cc2ccccc2)cn1 39244824 1169084770 /nfs/dbraw/zinc/08/47/70/1169084770.db2.gz RXKHEBJUSZNIQI-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN CCCCc1ccc(C)cn1 39203685 1169084966 /nfs/dbraw/zinc/08/49/66/1169084966.db2.gz VXSBRFVZEBBDQV-UHFFFAOYSA-N 0 0 149.237 2.733 10 0 AFAERN COc1cccc(OC)c1CC(C)C 38973949 1169085013 /nfs/dbraw/zinc/08/50/13/1169085013.db2.gz TWZFISMUPQYQOM-UHFFFAOYSA-N 0 0 194.274 2.902 10 0 AFAERN COCCCc1ccc(Cl)cc1 38843902 1169085075 /nfs/dbraw/zinc/08/50/75/1169085075.db2.gz DVOHWAVJHPLDHO-UHFFFAOYSA-N 0 0 184.666 2.919 10 0 AFAERN OCc1cccc(Nc2ccccc2)c1 39329768 1169085510 /nfs/dbraw/zinc/08/55/10/1169085510.db2.gz CPQCOUDZYABESU-UHFFFAOYSA-N 0 0 199.253 2.923 10 0 AFAERN CCc1cccc(OC)c1Cl 39472287 1169085733 /nfs/dbraw/zinc/08/57/33/1169085733.db2.gz RGIQNPPCOZFRHH-UHFFFAOYSA-N 0 0 170.639 2.911 10 0 AFAERN CCc1ccc(OC)c(C)c1 39275647 1169085762 /nfs/dbraw/zinc/08/57/62/1169085762.db2.gz CWGZSTNMSBXQLZ-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN CCCC[C@H](CC)COC(=O)NC 39624203 1169085866 /nfs/dbraw/zinc/08/58/66/1169085866.db2.gz NWIYTMPUEWIYLZ-VIFPVBQESA-N 0 0 187.283 2.559 10 0 AFAERN c1ncc2c3c(sc2n1)CCCC3 39338613 1169086260 /nfs/dbraw/zinc/08/62/60/1169086260.db2.gz DIIKLBOLDNKFBV-UHFFFAOYSA-N 0 0 190.271 2.570 10 0 AFAERN CCc1nc2ccc(Cl)cc2n1C 40417027 1169086285 /nfs/dbraw/zinc/08/62/85/1169086285.db2.gz LQWPASVFZSDKGR-UHFFFAOYSA-N 0 0 194.665 2.789 10 0 AFAERN CCCCc1ccc(C(C)=O)nc1 40380027 1169086497 /nfs/dbraw/zinc/08/64/97/1169086497.db2.gz QSDCCOXLGMMCHT-UHFFFAOYSA-N 0 0 177.247 2.627 10 0 AFAERN Cc1ccc(-c2cnc(C)nc2)cc1 39347069 1169087797 /nfs/dbraw/zinc/08/77/97/1169087797.db2.gz SPPDBZYEDVAMAC-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CCCC[C@@H](CC)COC(=O)NC 39624201 1169088288 /nfs/dbraw/zinc/08/82/88/1169088288.db2.gz NWIYTMPUEWIYLZ-SECBINFHSA-N 0 0 187.283 2.559 10 0 AFAERN CCc1cnc2sccc2c1 39330678 1169088435 /nfs/dbraw/zinc/08/84/35/1169088435.db2.gz DGXOVASSQMUZPS-UHFFFAOYSA-N 0 0 163.245 2.859 10 0 AFAERN COc1cccc(N)c1-c1ccccc1 39307380 1169088460 /nfs/dbraw/zinc/08/84/60/1169088460.db2.gz ZPUPAVZFEYHWPZ-UHFFFAOYSA-N 0 0 199.253 2.944 10 0 AFAERN Cc1ccc(C)c(-c2cncc(N)c2)c1 41209407 1169088896 /nfs/dbraw/zinc/08/88/96/1169088896.db2.gz XSHCIEOECGXWJP-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCc1ccc(-c2ccc(N)nc2)cc1 41209399 1169089051 /nfs/dbraw/zinc/08/90/51/1169089051.db2.gz WJDOCHWZWWKSSL-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1cccc(-c2cncc(N)c2)c1C 41209430 1169089092 /nfs/dbraw/zinc/08/90/92/1169089092.db2.gz IFJLVESLTBBKHO-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(-c2cncc(N)c2)cc1C 41209419 1169089219 /nfs/dbraw/zinc/08/92/19/1169089219.db2.gz QJBRXNFTUBHFKX-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCc1ccc(-c2cncc(N)c2)cc1 41209401 1169089572 /nfs/dbraw/zinc/08/95/72/1169089572.db2.gz PGEQQQBLSQQYAS-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1ccc(-c2cncc(N)c2)c(C)c1 41209424 1169089985 /nfs/dbraw/zinc/08/99/85/1169089985.db2.gz SCPRZZKQVNTPRN-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cc(C)cc(-c2cncc(N)c2)c1 41209413 1169090067 /nfs/dbraw/zinc/09/00/67/1169090067.db2.gz FBAZVZTVLSMYLY-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Oc1cncc(-c2ccccc2F)c1 47204630 1169090406 /nfs/dbraw/zinc/09/04/06/1169090406.db2.gz DPRLYELJVHBQFL-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1cncc(-c2cccc(F)c2)c1 47204631 1169091616 /nfs/dbraw/zinc/09/16/16/1169091616.db2.gz ORDSYNBRIHDYBU-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN CCCNc1cc(C(C)C)nc(C)n1 50851937 1169092437 /nfs/dbraw/zinc/09/24/37/1169092437.db2.gz FYEXEDUPSFJZNV-UHFFFAOYSA-N 0 0 193.294 2.730 10 0 AFAERN CCO[C@H](CC#N)c1ccccc1 55021117 1169093867 /nfs/dbraw/zinc/09/38/67/1169093867.db2.gz ROMDZDHZKUVANP-LLVKDONJSA-N 0 0 175.231 2.678 10 0 AFAERN C=CCO[C@@H](CC#N)c1ccccc1 55021780 1169094541 /nfs/dbraw/zinc/09/45/41/1169094541.db2.gz BYLJBTLUHMXWBQ-LBPRGKRZSA-N 0 0 187.242 2.844 10 0 AFAERN C=CCO[C@H](CC#N)c1ccccc1 55021782 1169095217 /nfs/dbraw/zinc/09/52/17/1169095217.db2.gz BYLJBTLUHMXWBQ-GFCCVEGCSA-N 0 0 187.242 2.844 10 0 AFAERN CCO[C@@H](CC#N)c1ccccc1 55021115 1169095987 /nfs/dbraw/zinc/09/59/87/1169095987.db2.gz ROMDZDHZKUVANP-NSHDSACASA-N 0 0 175.231 2.678 10 0 AFAERN Cc1ccc(-c2ncc[nH]2)c(F)c1 79635901 1169103027 /nfs/dbraw/zinc/10/30/27/1169103027.db2.gz GXWOVNQGQGNTNM-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN Cc1ccc(Nc2cncnc2)cc1 60250520 1169097972 /nfs/dbraw/zinc/09/79/72/1169097972.db2.gz MLAZXVCVRAHOPN-UHFFFAOYSA-N 0 0 185.230 2.529 10 0 AFAERN N#Cc1ccc(O[C@H]2C=CCC2)cc1 60293313 1169098840 /nfs/dbraw/zinc/09/88/40/1169098840.db2.gz IVHWOXGLDKDHHI-NSHDSACASA-N 0 0 185.226 2.656 10 0 AFAERN C=Cc1c(F)cc(OC)cc1F 60286453 1169099152 /nfs/dbraw/zinc/09/91/52/1169099152.db2.gz JFEMJISVFYJQQD-UHFFFAOYSA-N 0 0 170.158 2.616 10 0 AFAERN C=Cc1cc(F)c(OC)c(F)c1 60286451 1169099170 /nfs/dbraw/zinc/09/91/70/1169099170.db2.gz GGSYOXWYZPXWKR-UHFFFAOYSA-N 0 0 170.158 2.616 10 0 AFAERN Fc1ccc(O[C@@H]2C=CCC2)cc1 60293308 1169099279 /nfs/dbraw/zinc/09/92/79/1169099279.db2.gz ORCQJNQZALPVRX-SNVBAGLBSA-N 0 0 178.206 2.923 10 0 AFAERN Cc1ccnc(-c2ccc(C)c(N)c2)c1 59968542 1169099300 /nfs/dbraw/zinc/09/93/00/1169099300.db2.gz SEEZILWMRZAVTK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN N#Cc1ccc(O[C@@H]2C=CCC2)cc1 60293317 1169100475 /nfs/dbraw/zinc/10/04/75/1169100475.db2.gz IVHWOXGLDKDHHI-LLVKDONJSA-N 0 0 185.226 2.656 10 0 AFAERN Fc1ccc(O[C@H]2C=CCC2)cc1 60293303 1169100695 /nfs/dbraw/zinc/10/06/95/1169100695.db2.gz ORCQJNQZALPVRX-JTQLQIEISA-N 0 0 178.206 2.923 10 0 AFAERN C=Cc1cccc(OC)c1C 60132643 1169100826 /nfs/dbraw/zinc/10/08/26/1169100826.db2.gz VTBXHXXJRFSRKO-UHFFFAOYSA-N 0 0 148.205 2.647 10 0 AFAERN CC(C)(C)Cc1nccs1 79962099 1169102169 /nfs/dbraw/zinc/10/21/69/1169102169.db2.gz WVHMDXWUJTYHEU-UHFFFAOYSA-N 0 0 155.266 2.732 10 0 AFAERN Nc1ccc(F)cc1-c1nccs1 79888161 1169102256 /nfs/dbraw/zinc/10/22/56/1169102256.db2.gz KWRJFUHTXBNAPO-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CSCC1CCCC1 79701137 1169103626 /nfs/dbraw/zinc/10/36/26/1169103626.db2.gz BTRKQPYFESNBJF-UHFFFAOYSA-N 0 0 130.256 2.540 10 0 AFAERN CCCc1cccc(C(=O)OCC)c1 79929402 1169103668 /nfs/dbraw/zinc/10/36/68/1169103668.db2.gz CJHJHONVZZJBNI-UHFFFAOYSA-N 0 0 192.258 2.816 10 0 AFAERN CC(=O)c1ccc(CC2CC2)cc1 79556032 1169104101 /nfs/dbraw/zinc/10/41/01/1169104101.db2.gz CITFVEKZSMIQRY-UHFFFAOYSA-N 0 0 174.243 2.842 10 0 AFAERN c1cc(OC2CC2)c2[nH]ccc2c1 79874195 1169104771 /nfs/dbraw/zinc/10/47/71/1169104771.db2.gz LULZZEOSZQTEAN-UHFFFAOYSA-N 0 0 173.215 2.709 10 0 AFAERN CCCSCC1CC1 81914944 1169106777 /nfs/dbraw/zinc/10/67/77/1169106777.db2.gz YCKJDMGPONLIHP-UHFFFAOYSA-N 0 0 130.256 2.540 10 0 AFAERN CCC[C@H](C)Oc1cccnc1 81131076 1169107324 /nfs/dbraw/zinc/10/73/24/1169107324.db2.gz XVGYUFRSFNDZBF-VIFPVBQESA-N 0 0 165.236 2.649 10 0 AFAERN COc1ccc(Cc2cccnc2)cc1 82039983 1169107531 /nfs/dbraw/zinc/10/75/31/1169107531.db2.gz GCKQIQOENTUAKP-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN c1ccc(CCCc2ncc[nH]2)cc1 80816143 1169107826 /nfs/dbraw/zinc/10/78/26/1169107826.db2.gz LIWJJVCHPAIVLV-UHFFFAOYSA-N 0 0 186.258 2.585 10 0 AFAERN CCc1ccccc1-c1ccc(N)cn1 82384349 1169108653 /nfs/dbraw/zinc/10/86/53/1169108653.db2.gz YWLMDCYSKUZMTL-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CCc1ccccc1-c1ccncc1N 82384373 1169108747 /nfs/dbraw/zinc/10/87/47/1169108747.db2.gz ALLUZNUDAAVZTA-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1ccc(-c2ccnc(N)c2)cc1C 82384363 1169108783 /nfs/dbraw/zinc/10/87/83/1169108783.db2.gz BLIRKNPIDZQRME-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cc(C)cc(-c2ccnc(N)c2)c1 82384362 1169108947 /nfs/dbraw/zinc/10/89/47/1169108947.db2.gz CJFBYIPWKZCNMH-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCc1ccccc1-c1cncc(N)c1 82384346 1169109730 /nfs/dbraw/zinc/10/97/30/1169109730.db2.gz VDQRQQZNIWZURK-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1cc(-c2ccccc2N)cc(C)n1 82384383 1169109881 /nfs/dbraw/zinc/10/98/81/1169109881.db2.gz QOVKEEVLSZUROT-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cccc(-c2ccnc(N)c2)c1C 82384364 1169110027 /nfs/dbraw/zinc/11/00/27/1169110027.db2.gz WNCMZRHDRZSTBA-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCc1ccc(-c2ccnc(N)c2)cc1 82384365 1169110062 /nfs/dbraw/zinc/11/00/62/1169110062.db2.gz XFORVBIZURVWKF-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1cccc(Cc2cncc(N)c2)c1 82384347 1169110068 /nfs/dbraw/zinc/11/00/68/1169110068.db2.gz RSAWXJQAJKITNO-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CCc1ccccc1-c1ccnc(N)c1 82384368 1169110072 /nfs/dbraw/zinc/11/00/72/1169110072.db2.gz MEXRNLTTYGKXQI-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CCc1ccccc1-c1cccnc1N 82384358 1169110347 /nfs/dbraw/zinc/11/03/47/1169110347.db2.gz AUCZEEKCVXOIGV-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1ccc(N)cc1-c1nccs1 82205869 1169110542 /nfs/dbraw/zinc/11/05/42/1169110542.db2.gz WYMPAILFWFSZOA-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCc1ccccc1-c1ncccc1N 82384355 1169110868 /nfs/dbraw/zinc/11/08/68/1169110868.db2.gz XDUWRXBTYLEDOV-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1ccncc1-c1ccccc1N 83825336 1169113650 /nfs/dbraw/zinc/11/36/50/1169113650.db2.gz QXUDWCPTACXNFF-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCCCc1ccc(OC)c(N)c1 83255063 1169113968 /nfs/dbraw/zinc/11/39/68/1169113968.db2.gz VLRHLOMGWZLSCD-UHFFFAOYSA-N 0 0 179.263 2.620 10 0 AFAERN CCCNc1cccc(C2CC2)n1 84027313 1169115038 /nfs/dbraw/zinc/11/50/38/1169115038.db2.gz KHJFVAOEXQZDJE-UHFFFAOYSA-N 0 0 176.263 2.781 10 0 AFAERN Cc1ccc(F)c2ccoc12 84326807 1169115827 /nfs/dbraw/zinc/11/58/27/1169115827.db2.gz HFEGEZCMIAQSHF-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN Cc1cccc(-c2cc[nH]n2)c1F 84931490 1169118752 /nfs/dbraw/zinc/11/87/52/1169118752.db2.gz XYPKHWITXMENFD-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN Cc1ccc(F)c(-c2cn[nH]c2)c1 84931503 1169120160 /nfs/dbraw/zinc/12/01/60/1169120160.db2.gz MXLLUCSTZGVJEZ-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN CCc1ccc(N(C)C)c(Cl)c1 84923030 1169120498 /nfs/dbraw/zinc/12/04/98/1169120498.db2.gz VZFWBYYCHQDKMA-UHFFFAOYSA-N 0 0 183.682 2.968 10 0 AFAERN Cc1ccc(O)c(CC2CC2)c1 95710956 1169129647 /nfs/dbraw/zinc/12/96/47/1169129647.db2.gz SYNOYUQDBOOIAA-UHFFFAOYSA-N 0 0 162.232 2.653 10 0 AFAERN CCCNc1nc(C)cc(C(C)C)n1 87203715 1169124100 /nfs/dbraw/zinc/12/41/00/1169124100.db2.gz CYRLKUJHHMBZRJ-UHFFFAOYSA-N 0 0 193.294 2.730 10 0 AFAERN CC(C)Oc1cccc(N(C)C)c1 88342932 1169125731 /nfs/dbraw/zinc/12/57/31/1169125731.db2.gz YQRXTOFVZPMKGX-UHFFFAOYSA-N 0 0 179.263 2.540 10 0 AFAERN Cc1ccc(F)cc1-c1cn[nH]c1 88285713 1169126117 /nfs/dbraw/zinc/12/61/17/1169126117.db2.gz FEBLRHLTDCGXDZ-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN c1cc(-c2ccoc2)c2cc[nH]c2n1 90755528 1169126227 /nfs/dbraw/zinc/12/62/27/1169126227.db2.gz WUVVZVHSVCFVSW-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Cc1cc(-c2ccsc2)cc(=O)o1 90411751 1169126274 /nfs/dbraw/zinc/12/62/74/1169126274.db2.gz LSESZDUGJTWIFU-UHFFFAOYSA-N 0 0 192.239 2.677 10 0 AFAERN CCc1cc(F)c(F)c(F)c1 90415423 1169126614 /nfs/dbraw/zinc/12/66/14/1169126614.db2.gz YBOZXMVNMPLGHL-UHFFFAOYSA-N 0 0 160.138 2.666 10 0 AFAERN Fc1ccc(Cc2nccs2)cc1 88246602 1169126817 /nfs/dbraw/zinc/12/68/17/1169126817.db2.gz KGLHEVDSQZXRDF-UHFFFAOYSA-N 0 0 193.246 2.873 10 0 AFAERN c1ccc(OC2CCC2)cc1 90196850 1169126989 /nfs/dbraw/zinc/12/69/89/1169126989.db2.gz HIAVRTFPVUTBGW-UHFFFAOYSA-N 0 0 148.205 2.618 10 0 AFAERN CCc1cc(O)cc(C(F)(F)F)c1 95711104 1169128477 /nfs/dbraw/zinc/12/84/77/1169128477.db2.gz CCCIJKRNTQUVSO-UHFFFAOYSA-N 0 0 190.164 2.973 10 0 AFAERN CCc1nc2c(ccc3ncccc32)[nH]1 95924235 1169128740 /nfs/dbraw/zinc/12/87/40/1169128740.db2.gz KHKQVCWMCPKWTQ-UHFFFAOYSA-N 0 0 197.241 2.674 10 0 AFAERN Cc1ccc(CC2CC2)c(O)c1 95711006 1169128774 /nfs/dbraw/zinc/12/87/74/1169128774.db2.gz NUJRCYZVOMWYKT-UHFFFAOYSA-N 0 0 162.232 2.653 10 0 AFAERN CCc1cccc(OC2CC2)c1OC 95722163 1169128819 /nfs/dbraw/zinc/12/88/19/1169128819.db2.gz GLBUKFSNTDXCPP-UHFFFAOYSA-N 0 0 192.258 2.799 10 0 AFAERN CCc1ccccc1OC1CC1 95712662 1169128864 /nfs/dbraw/zinc/12/88/64/1169128864.db2.gz ZTZQQUZYAXSVGG-UHFFFAOYSA-N 0 0 162.232 2.790 10 0 AFAERN Cc1ccc(OC2CC2)c(C)c1 95727732 1169128942 /nfs/dbraw/zinc/12/89/42/1169128942.db2.gz AFIODTOAXSQRJW-UHFFFAOYSA-N 0 0 162.232 2.845 10 0 AFAERN Cc1cc(F)ccc1OC1CC1 95734368 1169129000 /nfs/dbraw/zinc/12/90/00/1169129000.db2.gz JTNLZDPXTHGEKK-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN Cc1cc(CC2CC2)ccc1O 95720998 1169129061 /nfs/dbraw/zinc/12/90/61/1169129061.db2.gz RPKOCASDBWTMTO-UHFFFAOYSA-N 0 0 162.232 2.653 10 0 AFAERN Cc1cc(OC2CC2)ccc1F 95734225 1169129091 /nfs/dbraw/zinc/12/90/91/1169129091.db2.gz AGRBBMDHRUBZGF-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN CCc1cccc(OC)c1OC1CC1 95726114 1169129095 /nfs/dbraw/zinc/12/90/95/1169129095.db2.gz RNSYBUZSKKGYIE-UHFFFAOYSA-N 0 0 192.258 2.799 10 0 AFAERN C=Cc1ccc2[nH]c(C)nc2c1 95924609 1169129099 /nfs/dbraw/zinc/12/90/99/1169129099.db2.gz XQGJZRHBBKCOCJ-UHFFFAOYSA-N 0 0 158.204 2.514 10 0 AFAERN Cc1cccc(OC2CC2)c1F 95724468 1169129363 /nfs/dbraw/zinc/12/93/63/1169129363.db2.gz CWAYDTWXPAULOQ-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN CCOc1ccc2[nH]c(CC)nc2c1 95921945 1169129466 /nfs/dbraw/zinc/12/94/66/1169129466.db2.gz FHMRQRALPJXEFE-UHFFFAOYSA-N 0 0 190.246 2.524 10 0 AFAERN c1cc(-c2ccnc3[nH]ccc23)ccn1 95628404 1169129517 /nfs/dbraw/zinc/12/95/17/1169129517.db2.gz UMUDVCMVNRZSQD-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN Cc1ccc(F)cc1OC1CC1 95734221 1169129569 /nfs/dbraw/zinc/12/95/69/1169129569.db2.gz AKQSPPNRTJDVDI-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN Cc1cccc(CC2CC2)c1O 95711016 1169129626 /nfs/dbraw/zinc/12/96/26/1169129626.db2.gz HWTIUVLLVAXQDX-UHFFFAOYSA-N 0 0 162.232 2.653 10 0 AFAERN CCn1c(C)nc2ccc(F)cc21 95924263 1169129654 /nfs/dbraw/zinc/12/96/54/1169129654.db2.gz ZUSMTWVJCJBLQO-UHFFFAOYSA-N 0 0 178.210 2.504 10 0 AFAERN CCc1ccc(OC2CC2)c(OC)c1 95727958 1169129660 /nfs/dbraw/zinc/12/96/60/1169129660.db2.gz SJVKSYYXUSOTOE-UHFFFAOYSA-N 0 0 192.258 2.799 10 0 AFAERN CCc1ccc(O)cc1C(F)(F)F 95711223 1169129678 /nfs/dbraw/zinc/12/96/78/1169129678.db2.gz XXULHUABPZQROF-UHFFFAOYSA-N 0 0 190.164 2.973 10 0 AFAERN CCc1ccc(O)c(OC(C)C)c1 95711211 1169129685 /nfs/dbraw/zinc/12/96/85/1169129685.db2.gz SOKRJYILBKTRHI-UHFFFAOYSA-N 0 0 180.247 2.742 10 0 AFAERN CCc1cc(O)cc(Cl)c1 95711129 1169129740 /nfs/dbraw/zinc/12/97/40/1169129740.db2.gz TVXPDDBBCZWBIE-UHFFFAOYSA-N 0 0 156.612 2.608 10 0 AFAERN C[C@H]1C[C@@H]1c1nc2ccccc2n1C 95923902 1169129940 /nfs/dbraw/zinc/12/99/40/1169129940.db2.gz NEWBSYJTWOIOSO-IUCAKERBSA-N 0 0 186.258 2.697 10 0 AFAERN CCc1cccc(O)c1OC(C)C 95711305 1169129947 /nfs/dbraw/zinc/12/99/47/1169129947.db2.gz JASTZLUHAHTKDN-UHFFFAOYSA-N 0 0 180.247 2.742 10 0 AFAERN CC(C)c1cc(O)cc(F)c1 95710334 1169129963 /nfs/dbraw/zinc/12/99/63/1169129963.db2.gz CIVHWSRTEGUJPD-UHFFFAOYSA-N 0 0 154.184 2.655 10 0 AFAERN CCc1cc(C(F)(F)F)ccc1O 95711070 1169129982 /nfs/dbraw/zinc/12/99/82/1169129982.db2.gz ZBEVNLMBJXWBJD-UHFFFAOYSA-N 0 0 190.164 2.973 10 0 AFAERN CCc1ccc(OC)c(OC2CC2)c1 95722414 1169130115 /nfs/dbraw/zinc/13/01/15/1169130115.db2.gz KGCXUPSJFRNHNJ-UHFFFAOYSA-N 0 0 192.258 2.799 10 0 AFAERN Cc1cccc(C)c1OC1CC1 95725241 1169130146 /nfs/dbraw/zinc/13/01/46/1169130146.db2.gz ZBMIEDWJPCRZEI-UHFFFAOYSA-N 0 0 162.232 2.845 10 0 AFAERN Cc1ccc(O)c(C(F)(F)F)c1 95710954 1169130150 /nfs/dbraw/zinc/13/01/50/1169130150.db2.gz NKHBJXQZKOWYNO-UHFFFAOYSA-N 0 0 176.137 2.719 10 0 AFAERN CCc1ccc(C(F)(F)F)cc1O 95711167 1169130174 /nfs/dbraw/zinc/13/01/74/1169130174.db2.gz BDTOBPMUDOVTNT-UHFFFAOYSA-N 0 0 190.164 2.973 10 0 AFAERN Cc1ccc(OC2CC2)c(Cl)n1 95723878 1169130253 /nfs/dbraw/zinc/13/02/53/1169130253.db2.gz DVBGFYKIDHXJCV-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN CC(C)c1cc(O)ccc1F 95710349 1169130316 /nfs/dbraw/zinc/13/03/16/1169130316.db2.gz DHNPKKVGDYTZPU-UHFFFAOYSA-N 0 0 154.184 2.655 10 0 AFAERN Cc1cc(F)cc(OC2CC2)c1 95712543 1169130386 /nfs/dbraw/zinc/13/03/86/1169130386.db2.gz NPVQHYPYOITMNJ-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN C[C@@H]1C[C@@H]1c1nc2ccccc2n1C 95923901 1169130401 /nfs/dbraw/zinc/13/04/01/1169130401.db2.gz NEWBSYJTWOIOSO-BDAKNGLRSA-N 0 0 186.258 2.697 10 0 AFAERN Cc1cccc(OC2CC2)c1 95724842 1169130435 /nfs/dbraw/zinc/13/04/35/1169130435.db2.gz VWVPOUMVSRVLAP-UHFFFAOYSA-N 0 0 148.205 2.536 10 0 AFAERN Cc1ccc(F)c(OC2CC2)c1 95723949 1169130439 /nfs/dbraw/zinc/13/04/39/1169130439.db2.gz PXALDORZSMAEGO-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN CNc1cc(-c2ccccc2)ccn1 95616512 1169130488 /nfs/dbraw/zinc/13/04/88/1169130488.db2.gz DIVFSLLFVQQULP-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN Cc1cnc(Cl)c(OC2CC2)c1 95723529 1169130635 /nfs/dbraw/zinc/13/06/35/1169130635.db2.gz SOEMWRIVILNQML-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN Oc1cc(Cl)ccc1CC1CC1 95727956 1169130640 /nfs/dbraw/zinc/13/06/40/1169130640.db2.gz UAQJRHPSYNOMSV-UHFFFAOYSA-N 0 0 182.650 2.998 10 0 AFAERN Cc1cccc(OC2CC2)c1C 95720877 1169130646 /nfs/dbraw/zinc/13/06/46/1169130646.db2.gz PNCYXUXEKCPJBN-UHFFFAOYSA-N 0 0 162.232 2.845 10 0 AFAERN Cc1nc(Cl)ccc1OC1CC1 95742220 1169130714 /nfs/dbraw/zinc/13/07/14/1169130714.db2.gz YHZDRSQCFFNHFS-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN C[C@H]1C[C@H]1c1nc2ccccc2n1C 95923904 1169130754 /nfs/dbraw/zinc/13/07/54/1169130754.db2.gz NEWBSYJTWOIOSO-DTWKUNHWSA-N 0 0 186.258 2.697 10 0 AFAERN CC(=O)c1cccc(C2CC2)c1F 95644772 1169130792 /nfs/dbraw/zinc/13/07/92/1169130792.db2.gz SXBAKBBRTSBLHL-UHFFFAOYSA-N 0 0 178.206 2.906 10 0 AFAERN CCc1ccc(O)cc1OC(C)C 95711242 1169130808 /nfs/dbraw/zinc/13/08/08/1169130808.db2.gz JKXVJLHNLKPKOX-UHFFFAOYSA-N 0 0 180.247 2.742 10 0 AFAERN Cc1cc(OC2CC2)cc(Cl)n1 95726758 1169130816 /nfs/dbraw/zinc/13/08/16/1169130816.db2.gz VBDYFJRJWCKSGC-UHFFFAOYSA-N 0 0 183.638 2.585 10 0 AFAERN C[C@@H]1C[C@H]1c1nc2ccccc2n1C 95923903 1169130851 /nfs/dbraw/zinc/13/08/51/1169130851.db2.gz NEWBSYJTWOIOSO-RKDXNWHRSA-N 0 0 186.258 2.697 10 0 AFAERN CCc1cc(O)ccc1OC(C)C 95711146 1169131100 /nfs/dbraw/zinc/13/11/00/1169131100.db2.gz FSFHEDJOHNYHGO-UHFFFAOYSA-N 0 0 180.247 2.742 10 0 AFAERN Cc1cc(O)ccc1CC1CC1 95713848 1169131111 /nfs/dbraw/zinc/13/11/11/1169131111.db2.gz VMVBVUDNIHOEMY-UHFFFAOYSA-N 0 0 162.232 2.653 10 0 AFAERN Cc1c(O)cccc1CC1CC1 95721849 1169131166 /nfs/dbraw/zinc/13/11/66/1169131166.db2.gz UXAXOENLPVJNAM-UHFFFAOYSA-N 0 0 162.232 2.653 10 0 AFAERN c1ccc(-c2cccc3[nH]cnc23)nc1 95923185 1169131206 /nfs/dbraw/zinc/13/12/06/1169131206.db2.gz XLWZXTAZOLYFLX-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC(C)CCCCNc1ncccn1 96867205 1169131638 /nfs/dbraw/zinc/13/16/38/1169131638.db2.gz QXNZCZULHMBFSV-UHFFFAOYSA-N 0 0 193.294 2.715 10 0 AFAERN Fc1ccc(OC2CC2)c(F)c1 96029181 1169131647 /nfs/dbraw/zinc/13/16/47/1169131647.db2.gz DHQKGCRRBUYSEM-UHFFFAOYSA-N 0 0 170.158 2.506 10 0 AFAERN CCc1ccccc1-c1ccc(=O)[nH]c1 96312148 1169132208 /nfs/dbraw/zinc/13/22/08/1169132208.db2.gz IRKHUGICNDFBIF-UHFFFAOYSA-N 0 0 199.253 2.604 10 0 AFAERN Cc1cncc(-c2cccc(CO)c2)c1 98191935 1169132555 /nfs/dbraw/zinc/13/25/55/1169132555.db2.gz GZTVLQCMAICXCQ-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1ccc(-c2ccc(=O)[nH]c2)cc1C 96312105 1169132667 /nfs/dbraw/zinc/13/26/67/1169132667.db2.gz YSKUFAIFABFXLK-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN CC[C@H](C)[C@H](C)Nc1cc(C)cnn1 234001029 673913921 /nfs/dbraw/zinc/91/39/21/673913921.db2.gz QJEBAYZAOZWZGG-UWVGGRQHSA-N 0 0 193.294 2.632 10 0 AFAERN C[C@H]1C[C@@H]1COc1ccc(C=O)cc1 722668883 673914415 /nfs/dbraw/zinc/91/44/15/673914415.db2.gz LHKGGTQASZTMTJ-GXSJLCMTSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@@H]1C[C@H]1COc1ccccc1C=O 722670575 673914427 /nfs/dbraw/zinc/91/44/27/673914427.db2.gz SWDFCUPUMPGWDR-KOLCDFICSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@H]1C[C@H]1COc1ccccc1C=O 722670577 673914461 /nfs/dbraw/zinc/91/44/61/673914461.db2.gz SWDFCUPUMPGWDR-ONGXEEELSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@@H]1C[C@H]1COc1cccc(C=O)c1 722670235 673914481 /nfs/dbraw/zinc/91/44/81/673914481.db2.gz QXNBWXYNSUTEHD-KOLCDFICSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@H]1C[C@H]1COc1cccc(C=O)c1 722670238 673914507 /nfs/dbraw/zinc/91/45/07/673914507.db2.gz QXNBWXYNSUTEHD-ONGXEEELSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@@H]1C[C@@H]1COc1ccc(C=O)cc1 722668885 673914688 /nfs/dbraw/zinc/91/46/88/673914688.db2.gz LHKGGTQASZTMTJ-MWLCHTKSSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@H]1C[C@@H]1COc1cccc(C=O)c1 722670234 673914694 /nfs/dbraw/zinc/91/46/94/673914694.db2.gz QXNBWXYNSUTEHD-GXSJLCMTSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@@H]1C[C@@H]1COc1ccccc1C=O 722670576 673914714 /nfs/dbraw/zinc/91/47/14/673914714.db2.gz SWDFCUPUMPGWDR-MWLCHTKSSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@@H]1C[C@@H]1COc1cccc(C=O)c1 722670236 673914752 /nfs/dbraw/zinc/91/47/52/673914752.db2.gz QXNBWXYNSUTEHD-MWLCHTKSSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@@H]1C[C@H]1COc1ccc(C=O)cc1 722668884 673914796 /nfs/dbraw/zinc/91/47/96/673914796.db2.gz LHKGGTQASZTMTJ-KOLCDFICSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@H]1C[C@@H]1COc1ccccc1C=O 722670574 673914808 /nfs/dbraw/zinc/91/48/08/673914808.db2.gz SWDFCUPUMPGWDR-GXSJLCMTSA-N 0 0 190.242 2.534 10 0 AFAERN C=CNc1ccc(Cl)cc1 100209319 1169134251 /nfs/dbraw/zinc/13/42/51/1169134251.db2.gz NQQUHMYKQCOORU-UHFFFAOYSA-N 0 0 153.612 2.895 10 0 AFAERN C[C@H]1C[C@H]1COc1ccc(C=O)cc1 722668886 673915232 /nfs/dbraw/zinc/91/52/32/673915232.db2.gz LHKGGTQASZTMTJ-ONGXEEELSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@H](Nc1ccc(F)nc1)[C@@H]1C[C@H]1C 307332822 673918975 /nfs/dbraw/zinc/91/89/75/673918975.db2.gz KXNYRCQNCZGVSI-KHQFGBGNSA-N 0 0 194.253 2.677 10 0 AFAERN O=C(OC1CCCCC1)C1=CCC1 307335692 673918981 /nfs/dbraw/zinc/91/89/81/673918981.db2.gz GVQNGBSQCPNXER-UHFFFAOYSA-N 0 0 180.247 2.583 10 0 AFAERN c1cnc2cc(-c3ncc[nH]3)ccc2c1 104399676 1169139496 /nfs/dbraw/zinc/13/94/96/1169139496.db2.gz SSMFCGYZNJKIRP-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN C[C@H]1C[C@H]1COc1cccnc1Cl 722852127 673920177 /nfs/dbraw/zinc/92/01/77/673920177.db2.gz XWBLBUOEOJAROF-YUMQZZPRSA-N 0 0 197.665 2.770 10 0 AFAERN CCc1cccc2ccoc12 104683019 1169140122 /nfs/dbraw/zinc/14/01/22/1169140122.db2.gz WFIWAAWXIAUFAF-UHFFFAOYSA-N 0 0 146.189 2.995 10 0 AFAERN C[C@@H]1C[C@H]1COc1cccnc1Cl 722852124 673920283 /nfs/dbraw/zinc/92/02/83/673920283.db2.gz XWBLBUOEOJAROF-SFYZADRCSA-N 0 0 197.665 2.770 10 0 AFAERN C[C@H]1C[C@@H]1COc1cccnc1Cl 722852122 673920287 /nfs/dbraw/zinc/92/02/87/673920287.db2.gz XWBLBUOEOJAROF-JGVFFNPUSA-N 0 0 197.665 2.770 10 0 AFAERN c1ccc2c(-c3ncc[nH]3)ccnc2c1 104399671 1169140260 /nfs/dbraw/zinc/14/02/60/1169140260.db2.gz OCIUAJHYOANSQT-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC1(C)COC[C@H]1Nc1ccccc1 307447050 673920357 /nfs/dbraw/zinc/92/03/57/673920357.db2.gz XPPITZCRRLEXCU-LLVKDONJSA-N 0 0 191.274 2.524 10 0 AFAERN CC1(C)COC[C@@H]1Nc1ccccc1 307447051 673920413 /nfs/dbraw/zinc/92/04/13/673920413.db2.gz XPPITZCRRLEXCU-NSHDSACASA-N 0 0 191.274 2.524 10 0 AFAERN C[C@@H]1C[C@@H]1COc1cccnc1Cl 722852118 673920419 /nfs/dbraw/zinc/92/04/19/673920419.db2.gz XWBLBUOEOJAROF-HTQZYQBOSA-N 0 0 197.665 2.770 10 0 AFAERN CCCCCCOC(C)C 105003945 1169140878 /nfs/dbraw/zinc/14/08/78/1169140878.db2.gz RFMZJYFXGWPOSR-UHFFFAOYSA-N 0 0 144.258 2.992 10 0 AFAERN Cc1ccc(C)c(-c2ccnc(N)c2)c1 106875524 1169141044 /nfs/dbraw/zinc/14/10/44/1169141044.db2.gz QMJAERSTIFVCJB-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCSCSc1nc(C)co1 307707040 673921413 /nfs/dbraw/zinc/92/14/13/673921413.db2.gz YLMZNNPDXNDVLE-UHFFFAOYSA-N 0 0 189.305 2.786 10 0 AFAERN Cc1cccc(-c2ncc(C)cc2N)c1 107465098 1169143088 /nfs/dbraw/zinc/14/30/88/1169143088.db2.gz ZDPLDFBOPUAMTQ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(-c2ccncc2N)cc1C 107465107 1169143322 /nfs/dbraw/zinc/14/33/22/1169143322.db2.gz GUAUOCBVXMGSKK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cnc(-c2ccccc2C)c(N)c1 107465122 1169143377 /nfs/dbraw/zinc/14/33/77/1169143377.db2.gz KUGGLPLBCMVGEZ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCNc1ccc(COC)cc1 107791209 1169143777 /nfs/dbraw/zinc/14/37/77/1169143777.db2.gz DWEFMXWYVYWRJD-UHFFFAOYSA-N 0 0 179.263 2.655 10 0 AFAERN Cc1ccc(-c2ncc(C)cc2N)cc1 107465103 1169144339 /nfs/dbraw/zinc/14/43/39/1169144339.db2.gz MDGYCDBAPYMXKM-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ncc(C2CCCC2)cc1N 107458861 1169144489 /nfs/dbraw/zinc/14/44/89/1169144489.db2.gz KJMPABDWJJBCQP-UHFFFAOYSA-N 0 0 176.263 2.630 10 0 AFAERN CC(C)C(C)(C)SCCCCO 308108463 673925627 /nfs/dbraw/zinc/92/56/27/673925627.db2.gz IVYGLNCBFRGWHV-UHFFFAOYSA-N 0 0 190.352 2.927 10 0 AFAERN C[C@H](CC(C)(C)C)C(=O)OC1CC1 308155520 673926553 /nfs/dbraw/zinc/92/65/53/673926553.db2.gz QWGLCMSUFKMXNY-MRVPVSSYSA-N 0 0 184.279 2.764 10 0 AFAERN C/C(=C\C(C)(C)C)C(=O)OC(C)C 308141721 673926664 /nfs/dbraw/zinc/92/66/64/673926664.db2.gz JAAYNFQGJWPNET-VQHVLOKHSA-N 0 0 184.279 2.930 10 0 AFAERN CC(C)/C=C\C(=O)OCC1CCC1 308143609 673926829 /nfs/dbraw/zinc/92/68/29/673926829.db2.gz AEVVBWXZCCQEFO-SREVYHEPSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)[C@@H](F)C(=O)OCC(C)(C)C 308155049 673926882 /nfs/dbraw/zinc/92/68/82/673926882.db2.gz QQUWAQVUUZVXRW-MRVPVSSYSA-N 0 0 190.258 2.570 10 0 AFAERN CC(C)[C@H](F)C(=O)OCC(C)(C)C 308155050 673926983 /nfs/dbraw/zinc/92/69/83/673926983.db2.gz QQUWAQVUUZVXRW-QMMMGPOBSA-N 0 0 190.258 2.570 10 0 AFAERN CC(C)(C)COC(=O)CCC(F)F 308143706 673927091 /nfs/dbraw/zinc/92/70/91/673927091.db2.gz KFRJYZDZCILCAL-UHFFFAOYSA-N 0 0 194.221 2.621 10 0 AFAERN Cc1ccc(OC(C)C)c(F)c1 112939076 1169147527 /nfs/dbraw/zinc/14/75/27/1169147527.db2.gz JFRSRPHKKKSFNP-UHFFFAOYSA-N 0 0 168.211 2.921 10 0 AFAERN COC1CCC(C(C)C)CC1 113407019 1169147555 /nfs/dbraw/zinc/14/75/55/1169147555.db2.gz VYOMKQBPPSPKOD-UHFFFAOYSA-N 0 0 156.269 2.848 10 0 AFAERN CCc1c(F)ccc(F)c1F 113245198 1169147653 /nfs/dbraw/zinc/14/76/53/1169147653.db2.gz BRKMUYFGBWFQSD-UHFFFAOYSA-N 0 0 160.138 2.666 10 0 AFAERN CC(C)(C)COC(=O)c1ccsc1 308163760 673927311 /nfs/dbraw/zinc/92/73/11/673927311.db2.gz WMNOGOPGHMBQHE-UHFFFAOYSA-N 0 0 198.287 2.951 10 0 AFAERN CCOc1ccc(C)cc1F 113184540 1169147749 /nfs/dbraw/zinc/14/77/49/1169147749.db2.gz ZWPAUEJUXNXDTB-UHFFFAOYSA-N 0 0 154.184 2.533 10 0 AFAERN Cc1ccnc(C(C)(C)C)c1 113263241 1169147778 /nfs/dbraw/zinc/14/77/78/1169147778.db2.gz OGBZELSUKYODHJ-UHFFFAOYSA-N 0 0 149.237 2.688 10 0 AFAERN CCc1ccnc(C(C)(C)C)c1 113263378 1169148045 /nfs/dbraw/zinc/14/80/45/1169148045.db2.gz XLXBVNWYEGIJHW-UHFFFAOYSA-N 0 0 163.264 2.942 10 0 AFAERN CC(C)c1cccc2c1OCCO2 113048541 1169148051 /nfs/dbraw/zinc/14/80/51/1169148051.db2.gz WCMUCRAERZQZLL-UHFFFAOYSA-N 0 0 178.231 2.581 10 0 AFAERN Cc1cc(F)c(C)c(F)c1 112972603 1169148083 /nfs/dbraw/zinc/14/80/83/1169148083.db2.gz HBXFIXSFKULBOG-UHFFFAOYSA-N 0 0 142.148 2.582 10 0 AFAERN CC(C)CCc1cccc(O)c1 113137307 1169148258 /nfs/dbraw/zinc/14/82/58/1169148258.db2.gz QUYBUISGXMLCTF-UHFFFAOYSA-N 0 0 164.248 2.981 10 0 AFAERN CC/C=C\CCOC(=O)[C@@H]1C[C@H]1C 308178412 673927896 /nfs/dbraw/zinc/92/78/96/673927896.db2.gz GENHFZPPMNHLCY-BYIQDMNASA-N 0 0 182.263 2.542 10 0 AFAERN C/C=C(/CC)C(=O)OCC1(C)CC1 308186929 673928129 /nfs/dbraw/zinc/92/81/29/673928129.db2.gz KMZMLTBMSSWWDC-WTKPLQERSA-N 0 0 182.263 2.686 10 0 AFAERN CCC/C=C\C(=O)OC1CC(C)C1 308173618 673928135 /nfs/dbraw/zinc/92/81/35/673928135.db2.gz CITFEKRGXJGOCD-WAYWQWQTSA-N 0 0 182.263 2.684 10 0 AFAERN CCC/C=C/C(=O)OC1CC(C)C1 308173617 673928181 /nfs/dbraw/zinc/92/81/81/673928181.db2.gz CITFEKRGXJGOCD-AATRIKPKSA-N 0 0 182.263 2.684 10 0 AFAERN C/C=C(\CC)C(=O)OCC1(C)CC1 308186927 673928200 /nfs/dbraw/zinc/92/82/00/673928200.db2.gz KMZMLTBMSSWWDC-RUDMXATFSA-N 0 0 182.263 2.686 10 0 AFAERN CCCC(=O)OC[C@@H](C)C(F)(F)F 308173620 673928460 /nfs/dbraw/zinc/92/84/60/673928460.db2.gz CIUYAUGZZAITCW-ZCFIWIBFSA-N 0 0 198.184 2.528 10 0 AFAERN C=C(C)C(=O)N[C@@H](C)CCCC(C)C 113904903 1169149311 /nfs/dbraw/zinc/14/93/11/1169149311.db2.gz XUXXYPXDCMNYTG-NSHDSACASA-N 0 0 197.322 2.894 10 0 AFAERN C=C(C)C(=O)N[C@H](C)CCCC(C)C 113904901 1169149409 /nfs/dbraw/zinc/14/94/09/1169149409.db2.gz XUXXYPXDCMNYTG-LLVKDONJSA-N 0 0 197.322 2.894 10 0 AFAERN Cc1cccc(CC(C)C)c1O 113418783 1169149832 /nfs/dbraw/zinc/14/98/32/1169149832.db2.gz BWVHLTNCVRBWKW-UHFFFAOYSA-N 0 0 164.248 2.899 10 0 AFAERN OCc1c(Cl)cccc1C1CC1 113564275 1169150236 /nfs/dbraw/zinc/15/02/36/1169150236.db2.gz HVQGUAGFCSWTNN-UHFFFAOYSA-N 0 0 182.650 2.710 10 0 AFAERN c1cncc(-c2ccnc3[nH]ccc23)c1 113784804 1169150328 /nfs/dbraw/zinc/15/03/28/1169150328.db2.gz VTDLIXTUIXEFID-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC[C@H](C)CC(=O)OC[C@@H]1C[C@H]1C 308291417 673930198 /nfs/dbraw/zinc/93/01/98/673930198.db2.gz HIWNHEDQBLFRPF-AEJSXWLSSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)c1cccc(Cl)c1CO 113584911 1169150804 /nfs/dbraw/zinc/15/08/04/1169150804.db2.gz HUZBCFZUYKQVEV-UHFFFAOYSA-N 0 0 184.666 2.956 10 0 AFAERN C=Cc1ccc(C2(C#N)CC2)cc1 113640087 1169150938 /nfs/dbraw/zinc/15/09/38/1169150938.db2.gz DNNRSCBHKMXMBO-UHFFFAOYSA-N 0 0 169.227 2.885 10 0 AFAERN Cc1cc(F)c(C)cc1F 113426718 1169150988 /nfs/dbraw/zinc/15/09/88/1169150988.db2.gz YESRKYFQGMCQIY-UHFFFAOYSA-N 0 0 142.148 2.582 10 0 AFAERN CC[C@@H](C)c1ccncc1C 113470170 1169151039 /nfs/dbraw/zinc/15/10/39/1169151039.db2.gz GCPBCORMKUHRLK-MRVPVSSYSA-N 0 0 149.237 2.904 10 0 AFAERN CCCCCC(=O)O[C@@H](C)C1CC1 308369421 673930546 /nfs/dbraw/zinc/93/05/46/673930546.db2.gz PRXMDHPPSBXDFD-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN CCCCCC(=O)O[C@@H](C)C(F)F 308362732 673930573 /nfs/dbraw/zinc/93/05/73/673930573.db2.gz MTYYIKCRYGXARX-ZETCQYMHSA-N 0 0 194.221 2.764 10 0 AFAERN CCCCCC(=O)O[C@H](C)C(F)F 308362728 673930552 /nfs/dbraw/zinc/93/05/52/673930552.db2.gz MTYYIKCRYGXARX-SSDOTTSWSA-N 0 0 194.221 2.764 10 0 AFAERN CC(=O)O[C@H](C)CC1CCCCC1 308369287 673930564 /nfs/dbraw/zinc/93/05/64/673930564.db2.gz JVKIVFVEQARSFE-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN CC/C=C/COC(=O)/C(C)=C/CC 308478214 673931210 /nfs/dbraw/zinc/93/12/10/673931210.db2.gz MOJDBTZDGUIWHD-LQPGMRSMSA-N 0 0 182.263 2.852 10 0 AFAERN Cc1ccc(-c2cccc(C)n2)c(N)c1 114991827 1169152218 /nfs/dbraw/zinc/15/22/18/1169152218.db2.gz RJVQHTIOEMQJML-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC/C=C/COC(=O)[C@H]1CC1(C)C 308485908 673931826 /nfs/dbraw/zinc/93/18/26/673931826.db2.gz PCQDVOYUVBETPP-VUHVRTRXSA-N 0 0 182.263 2.542 10 0 AFAERN C=Cc1cc(F)c(F)c(F)c1F 114942759 1169152980 /nfs/dbraw/zinc/15/29/80/1169152980.db2.gz WCIVGUUQTOFZGL-UHFFFAOYSA-N 0 0 176.112 2.886 10 0 AFAERN CC/C=C/COC(=O)[C@@H]1CC1(C)C 308485905 673932683 /nfs/dbraw/zinc/93/26/83/673932683.db2.gz PCQDVOYUVBETPP-CYNONHLPSA-N 0 0 182.263 2.542 10 0 AFAERN CC/C=C\COC(=O)[C@@H]1CC1(C)C 308485907 673932769 /nfs/dbraw/zinc/93/27/69/673932769.db2.gz PCQDVOYUVBETPP-UDIARPCQSA-N 0 0 182.263 2.542 10 0 AFAERN Cc1ncc(C)c(Nc2ccccc2)n1 114721370 1169153293 /nfs/dbraw/zinc/15/32/93/1169153293.db2.gz ISHHOVIJMIJWGT-UHFFFAOYSA-N 0 0 199.257 2.837 10 0 AFAERN CC(C)[C@@H]1CC(=O)CC[C@@H]1C 219070577 673933423 /nfs/dbraw/zinc/93/34/23/673933423.db2.gz ZRLHOYPNSADZEO-WPRPVWTQSA-N 0 0 154.253 2.648 10 0 AFAERN C=Cc1c(F)c(F)cc(F)c1F 114886225 1169154601 /nfs/dbraw/zinc/15/46/01/1169154601.db2.gz SRNGWKMBTSEYDA-UHFFFAOYSA-N 0 0 176.112 2.886 10 0 AFAERN CCCCO[C@H](C)c1nc(CC)no1 349789906 673936024 /nfs/dbraw/zinc/93/60/24/673936024.db2.gz HYVTYDGKWZTRCA-MRVPVSSYSA-N 0 0 198.266 2.510 10 0 AFAERN COc1ccc(Cc2ccccc2)cn1 116634723 1169156333 /nfs/dbraw/zinc/15/63/33/1169156333.db2.gz MKGKOBPBZKTVNS-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN CC(C)(C)Cc1ccc(F)cn1 116409559 1169156635 /nfs/dbraw/zinc/15/66/35/1169156635.db2.gz DOGJYJOSNSVKEB-UHFFFAOYSA-N 0 0 167.227 2.809 10 0 AFAERN CCc1c(F)cc(F)cc1F 116486858 1169156812 /nfs/dbraw/zinc/15/68/12/1169156812.db2.gz POVMNBOGOWRNEI-UHFFFAOYSA-N 0 0 160.138 2.666 10 0 AFAERN CC(C)(C)Cc1cncc(F)c1 117500644 1169158506 /nfs/dbraw/zinc/15/85/06/1169158506.db2.gz GNQPJPUTHHQLGN-UHFFFAOYSA-N 0 0 167.227 2.809 10 0 AFAERN CCO/C=C(\C)C(=O)C1CCCC1 387404710 673938749 /nfs/dbraw/zinc/93/87/49/673938749.db2.gz BIKKRGOGUAMSOO-CMDGGOBGSA-N 0 0 182.263 2.686 10 0 AFAERN CC[C@@H](C)c1cccc(C(=O)OC)c1 117114073 1169158861 /nfs/dbraw/zinc/15/88/61/1169158861.db2.gz PCJVISLCVPHMKH-SECBINFHSA-N 0 0 192.258 2.987 10 0 AFAERN Cc1cncc(CC(C)(C)C)c1 117504063 1169158998 /nfs/dbraw/zinc/15/89/98/1169158998.db2.gz ZWAVOWJYMQPKJZ-UHFFFAOYSA-N 0 0 163.264 2.979 10 0 AFAERN CC(C)=CCC1CC1 116879313 1169159023 /nfs/dbraw/zinc/15/90/23/1169159023.db2.gz VZVDDJOHOIUCIG-UHFFFAOYSA-N 0 0 110.200 2.753 10 0 AFAERN CC[C@H](C)c1cccc(C(=O)OC)c1 117114075 1169159236 /nfs/dbraw/zinc/15/92/36/1169159236.db2.gz PCJVISLCVPHMKH-VIFPVBQESA-N 0 0 192.258 2.987 10 0 AFAERN COC(=O)c1cccc(CC(C)C)c1 117124949 1169159385 /nfs/dbraw/zinc/15/93/85/1169159385.db2.gz FFAFVTXNTKACSA-UHFFFAOYSA-N 0 0 192.258 2.672 10 0 AFAERN Cc1nn(C)c(C)c1CC(C)(C)C 117503979 1169159649 /nfs/dbraw/zinc/15/96/49/1169159649.db2.gz JMSKYCCOEPKYMO-UHFFFAOYSA-N 0 0 180.295 2.626 10 0 AFAERN C=Cc1cccc2ccc(OC)nc12 116909345 1169159923 /nfs/dbraw/zinc/15/99/23/1169159923.db2.gz ILPGBCDKGYIJQY-UHFFFAOYSA-N 0 0 185.226 2.886 10 0 AFAERN CCCCc1cc(F)ccc1N 117362380 1169159933 /nfs/dbraw/zinc/15/99/33/1169159933.db2.gz RZTHMHDCIUGRTF-UHFFFAOYSA-N 0 0 167.227 2.751 10 0 AFAERN Cc1ncccc1CC(C)(C)C 117503976 1169160007 /nfs/dbraw/zinc/16/00/07/1169160007.db2.gz JUEAGAAMXJYUGZ-UHFFFAOYSA-N 0 0 163.264 2.979 10 0 AFAERN COC(=O)Nc1ccc(Cl)c(C)c1 118006328 1169160019 /nfs/dbraw/zinc/16/00/19/1169160019.db2.gz PCPITKFAAPOSHJ-UHFFFAOYSA-N 0 0 199.637 2.827 10 0 AFAERN CC(C)(C)Cc1cncs1 117500618 1169160186 /nfs/dbraw/zinc/16/01/86/1169160186.db2.gz PXCKBXBQGNHQCV-UHFFFAOYSA-N 0 0 155.266 2.732 10 0 AFAERN CCc1cc(Cl)nc(Cl)c1 117904515 1169160247 /nfs/dbraw/zinc/16/02/47/1169160247.db2.gz MZFTWMNZFCYVFH-UHFFFAOYSA-N 0 0 176.046 2.951 10 0 AFAERN CC(C)(C)Cc1ncccc1F 117500641 1169160260 /nfs/dbraw/zinc/16/02/60/1169160260.db2.gz KVMIZGOYPYJBPO-UHFFFAOYSA-N 0 0 167.227 2.809 10 0 AFAERN Cc1ccccc1Nc1cncc(N)c1 122015676 1169161146 /nfs/dbraw/zinc/16/11/46/1169161146.db2.gz GCLQHAJUJWVOGG-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cc1cccc(Nc2cncc(N)c2)c1 122014177 1169161271 /nfs/dbraw/zinc/16/12/71/1169161271.db2.gz BXMPUSBWGVWJKO-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CCC(=O)CC1=CCCCC1 122251687 1169161427 /nfs/dbraw/zinc/16/14/27/1169161427.db2.gz QPOUGMSUJLDKPV-UHFFFAOYSA-N 0 0 152.237 2.856 10 0 AFAERN Cc1ccc(Nc2cncc(N)c2)cc1 122034509 1169162019 /nfs/dbraw/zinc/16/20/19/1169162019.db2.gz PADDRGPJXPRJGC-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cc1cc(-c2cnccn2)ccc1F 118831725 1169162032 /nfs/dbraw/zinc/16/20/32/1169162032.db2.gz IGDKWCWFZFSWDX-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1ncc(-c2ccc(F)nc2)s1 118829527 1169162444 /nfs/dbraw/zinc/16/24/44/1169162444.db2.gz YFVDXQLANLHTKE-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN C=Cc1ccc2c(c1)CCCO2 118145088 1169162809 /nfs/dbraw/zinc/16/28/09/1169162809.db2.gz YACCNKUYPZXRCB-UHFFFAOYSA-N 0 0 160.216 2.655 10 0 AFAERN C[C@H]1C[C@@H](C)N1C/C(Cl)=C\Cl 307862589 673943241 /nfs/dbraw/zinc/94/32/41/673943241.db2.gz HPJHZFKNOMLAQR-VJXJDKGUSA-N 0 0 194.105 2.788 10 0 AFAERN Cc1cccc(Nc2cccnc2N)c1 122685562 1169163377 /nfs/dbraw/zinc/16/33/77/1169163377.db2.gz MRYHVUUWHIBBGU-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CC1(Nc2ccc(F)cn2)CCC1 123292393 1169164081 /nfs/dbraw/zinc/16/40/81/1169164081.db2.gz YSYNHSJCSGRIEH-UHFFFAOYSA-N 0 0 180.226 2.575 10 0 AFAERN CCCOC(=O)NC(C)(CC)CC 308143415 673944389 /nfs/dbraw/zinc/94/43/89/673944389.db2.gz MMDCAEWWKNLYNA-UHFFFAOYSA-N 0 0 187.283 2.701 10 0 AFAERN CCc1cccc(-c2ncccc2N)c1 122618520 1169164136 /nfs/dbraw/zinc/16/41/36/1169164136.db2.gz KMJJFMGLSGFLEH-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CCC(=O)c1ccc(OC2CC2)cc1 122493250 1169164169 /nfs/dbraw/zinc/16/41/69/1169164169.db2.gz OBJVAJGPOPDMHO-UHFFFAOYSA-N 0 0 190.242 2.821 10 0 AFAERN CCCCC(=O)O[C@H](C)C1CCC1 308420247 673944735 /nfs/dbraw/zinc/94/47/35/673944735.db2.gz OMSAMHSHEWTJFI-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN C[C@H](Nc1cccnc1)C(C)(C)C 122747095 1169164492 /nfs/dbraw/zinc/16/44/92/1169164492.db2.gz DFKWMIPPLOICEQ-VIFPVBQESA-N 0 0 178.279 2.928 10 0 AFAERN CCc1cccc(-c2ccc(N)cn2)c1 122878539 1169164501 /nfs/dbraw/zinc/16/45/01/1169164501.db2.gz CTRODGQJEUMALC-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CC/C=C(/C)C(=O)OCC(C)(C)C 308433239 673945060 /nfs/dbraw/zinc/94/50/60/673945060.db2.gz USQRJQHVEPGUCF-CLFYSBASSA-N 0 0 184.279 2.932 10 0 AFAERN O=C(CC1CC1)OCc1cccs1 308405253 673945182 /nfs/dbraw/zinc/94/51/82/673945182.db2.gz LEFZFIGFFAJLFB-UHFFFAOYSA-N 0 0 196.271 2.591 10 0 AFAERN Cc1ccc(NC2(C)CCC2)nc1 123292170 1169164829 /nfs/dbraw/zinc/16/48/29/1169164829.db2.gz PWZMEDCCRLYJRC-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN Cc1ccccc1Nc1cccnc1N 122686541 1169164991 /nfs/dbraw/zinc/16/49/91/1169164991.db2.gz QHKHRSZTRLABFH-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CSCSCC(C)C 32163080 673951102 /nfs/dbraw/zinc/95/11/02/673951102.db2.gz HOIVYNKHGRRCQC-UHFFFAOYSA-N 0 0 150.312 2.696 10 0 AFAERN CCCOc1ccc2cc[nH]c2c1 32162287 673951152 /nfs/dbraw/zinc/95/11/52/673951152.db2.gz JDVBDXYYRDRFRP-UHFFFAOYSA-N 0 0 175.231 2.957 10 0 AFAERN CC(C)=CC(=O)N[C@H](C)CC1CCC1 710264240 673952292 /nfs/dbraw/zinc/95/22/92/673952292.db2.gz UYWDUYAHIBEIGR-SNVBAGLBSA-N 0 0 195.306 2.648 10 0 AFAERN CCC(=O)c1cccc(OC2CC2)c1 125569847 1169172910 /nfs/dbraw/zinc/17/29/10/1169172910.db2.gz YWCGMNDGXZTOMU-UHFFFAOYSA-N 0 0 190.242 2.821 10 0 AFAERN CC(C)OC(=O)N[C@@H](C)C(C)(C)C 127792512 1169174244 /nfs/dbraw/zinc/17/42/44/1169174244.db2.gz DGLGVCZDITYUBR-QMMMGPOBSA-N 0 0 187.283 2.556 10 0 AFAERN CCc1cccnc1NCC(C)C 127776467 1169174360 /nfs/dbraw/zinc/17/43/60/1169174360.db2.gz AGPMEZWRAOQNSN-UHFFFAOYSA-N 0 0 178.279 2.712 10 0 AFAERN CC(C)OC(=O)NC1(C)CCCCC1 127214619 1169175398 /nfs/dbraw/zinc/17/53/98/1169175398.db2.gz IDERZCWANNPDDP-UHFFFAOYSA-N 0 0 199.294 2.844 10 0 AFAERN CC(C)=CCCNC(=O)[C@@H]1CC1(C)C 790999754 673955151 /nfs/dbraw/zinc/95/51/51/673955151.db2.gz IGMLWTSLERVUFO-JTQLQIEISA-N 0 0 195.306 2.505 10 0 AFAERN CCC(CC)N(C)C(=O)OC(C)C 127011609 1169175771 /nfs/dbraw/zinc/17/57/71/1169175771.db2.gz VNQZQZCVFIQBHT-UHFFFAOYSA-N 0 0 187.283 2.652 10 0 AFAERN CCCC[C@@H](C)NC(=O)OC(C)C 127258099 1169176493 /nfs/dbraw/zinc/17/64/93/1169176493.db2.gz ISRXTFORHAJJDE-SECBINFHSA-N 0 0 187.283 2.700 10 0 AFAERN CCCCCN(C)C(=O)OC(C)C 126970857 1169176534 /nfs/dbraw/zinc/17/65/34/1169176534.db2.gz UTBXGNMDXJQCMT-UHFFFAOYSA-N 0 0 187.283 2.653 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C/C(Cl)=C\Cl 307862587 673957123 /nfs/dbraw/zinc/95/71/23/673957123.db2.gz HPJHZFKNOMLAQR-KFGJBHQHSA-N 0 0 194.105 2.788 10 0 AFAERN c1cncc(-c2ccc3c(c2)NCC3)c1 130908252 1169181299 /nfs/dbraw/zinc/18/12/99/1169181299.db2.gz IHJDITTXUBALDF-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN CCc1cccc(-c2cccc(N)n2)c1 128809161 1169180027 /nfs/dbraw/zinc/18/00/27/1169180027.db2.gz STXOUSIEQSZBPI-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1ccc(OC(=O)C2CCC2)cc1 144448527 673959311 /nfs/dbraw/zinc/95/93/11/673959311.db2.gz BEFDVDGQUWMUBM-UHFFFAOYSA-N 0 0 190.242 2.701 10 0 AFAERN CC(=O)Oc1cc(Cl)ccc1C 144558506 673959336 /nfs/dbraw/zinc/95/93/36/673959336.db2.gz DBCMBAJDUMIESM-UHFFFAOYSA-N 0 0 184.622 2.574 10 0 AFAERN O=C(Oc1ccccc1F)C1CCC1 144590325 673959407 /nfs/dbraw/zinc/95/94/07/673959407.db2.gz FDYVGCPREYIUPV-UHFFFAOYSA-N 0 0 194.205 2.531 10 0 AFAERN O=C(Cc1ccoc1)c1cccs1 130575363 1169181079 /nfs/dbraw/zinc/18/10/79/1169181079.db2.gz SVDRTGAVRYBRGE-UHFFFAOYSA-N 0 0 192.239 2.767 10 0 AFAERN c1ccc(-c2ccc3c(c2)NCC3)nc1 130911769 1169182554 /nfs/dbraw/zinc/18/25/54/1169182554.db2.gz TUGFOONQYZRSFF-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN CCCCCSc1cnccn1 196496481 673961910 /nfs/dbraw/zinc/96/19/10/673961910.db2.gz BVZROYFBKMKLQN-UHFFFAOYSA-N 0 0 182.292 2.759 10 0 AFAERN c1cc2c(c(-c3ccoc3)c1)CCN2 130902299 1169183277 /nfs/dbraw/zinc/18/32/77/1169183277.db2.gz MFHSPKNBCVBKHH-UHFFFAOYSA-N 0 0 185.226 2.915 10 0 AFAERN Cc1ccc(NCCC2CCC2)nc1 130317510 1169183808 /nfs/dbraw/zinc/18/38/08/1169183808.db2.gz YBSGJOFFVAHLPK-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN CCCCC1(C(=O)N2CCCC2)CC1 929117062 673962651 /nfs/dbraw/zinc/96/26/51/673962651.db2.gz ZCPICHZSCLHVNO-UHFFFAOYSA-N 0 0 195.306 2.579 10 0 AFAERN Cc1nccc(N[C@@H](C)C(C)(C)C)n1 133142787 1169184569 /nfs/dbraw/zinc/18/45/69/1169184569.db2.gz YGRVQYMPWWMSDZ-QMMMGPOBSA-N 0 0 193.294 2.632 10 0 AFAERN Cc1ccnc(N[C@@H](C)C(C)(C)C)n1 133146631 1169185184 /nfs/dbraw/zinc/18/51/84/1169185184.db2.gz UDFXPKHRGKNMMK-VIFPVBQESA-N 0 0 193.294 2.632 10 0 AFAERN CCc1cccnc1-c1nccs1 131883336 1169185195 /nfs/dbraw/zinc/18/51/95/1169185195.db2.gz JYYMPCNWCGUCDI-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN Cc1cccnc1-c1nccs1 131874974 1169186267 /nfs/dbraw/zinc/18/62/67/1169186267.db2.gz KZYNEMQBUTZYJZ-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1cncc(-c2ccc(C)cc2N)c1 134873102 1169190704 /nfs/dbraw/zinc/19/07/04/1169190704.db2.gz XRJUTJXHCZTTBS-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cccc(N[C@@H](C)C2(C)CC2)n1 134172347 1169187796 /nfs/dbraw/zinc/18/77/96/1169187796.db2.gz VBAVAECKRKRETA-JTQLQIEISA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccnc(N[C@H](C)C2(C)CC2)c1 134079351 1169187820 /nfs/dbraw/zinc/18/78/20/1169187820.db2.gz CDYHZDRAIPAGKH-SNVBAGLBSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1cccc(N[C@H](C)C2(C)CC2)n1 134172560 1169188159 /nfs/dbraw/zinc/18/81/59/1169188159.db2.gz VBAVAECKRKRETA-SNVBAGLBSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccnc(N[C@@H](C)C2(C)CC2)c1 134079144 1169188815 /nfs/dbraw/zinc/18/88/15/1169188815.db2.gz CDYHZDRAIPAGKH-JTQLQIEISA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccc(-c2ccc(C)nc2)c(N)c1 134872307 1169189631 /nfs/dbraw/zinc/18/96/31/1169189631.db2.gz KNJJGIXLNSGNQG-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(C)=CCOC(=O)C(C)(C)C 32178521 673968420 /nfs/dbraw/zinc/96/84/20/673968420.db2.gz AXJGWZOWJMGIEF-UHFFFAOYSA-N 0 0 170.252 2.542 10 0 AFAERN Cc1ccccc1COC(=O)C(C)C 167608473 673968426 /nfs/dbraw/zinc/96/84/26/673968426.db2.gz BHQDQXNHFKNONI-UHFFFAOYSA-N 0 0 192.258 2.694 10 0 AFAERN Cc1ccc(-c2cnccc2C)c(N)c1 134872810 1169190051 /nfs/dbraw/zinc/19/00/51/1169190051.db2.gz BNTCFJYIDFZIEH-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cccnc1NCc1ccoc1 157877709 673968954 /nfs/dbraw/zinc/96/89/54/673968954.db2.gz DLHIXHNRFAQHDC-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN CCC(=O)OCCC(CC)CC 167891478 673968969 /nfs/dbraw/zinc/96/89/69/673968969.db2.gz MSONCVZOWLVOMM-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN Cc1ccc(Cc2ccccn2)c(N)c1 134872726 1169190218 /nfs/dbraw/zinc/19/02/18/1169190218.db2.gz SOIRGNNSAAVXBY-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Cc1ccc(-c2ccncc2C)c(N)c1 134872780 1169190746 /nfs/dbraw/zinc/19/07/46/1169190746.db2.gz SERGAILAVWVVDP-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Nc1cc(CC2CCCCCC2)[nH]n1 168421715 673969641 /nfs/dbraw/zinc/96/96/41/673969641.db2.gz HVJVKSVTIYXHNQ-UHFFFAOYSA-N 0 0 193.294 2.505 10 0 AFAERN CC[C@@H](C)Nc1cnc2c(c1)CCC2 134617794 1169190942 /nfs/dbraw/zinc/19/09/42/1169190942.db2.gz VBVKIVLVYPTNOK-SECBINFHSA-N 0 0 190.290 2.781 10 0 AFAERN CC1(C)C[C@H]1C(=O)Oc1ccccc1 60199721 673970230 /nfs/dbraw/zinc/97/02/30/673970230.db2.gz RHAJNHGWLXJMLJ-JTQLQIEISA-N 0 0 190.242 2.638 10 0 AFAERN CC[C@H](C)Nc1cnc2c(c1)CCC2 134617818 1169191424 /nfs/dbraw/zinc/19/14/24/1169191424.db2.gz VBVKIVLVYPTNOK-VIFPVBQESA-N 0 0 190.290 2.781 10 0 AFAERN Cc1ccc(Cc2ccncc2)c(N)c1 134872756 1169192007 /nfs/dbraw/zinc/19/20/07/1169192007.db2.gz DLVBWFJTECFDJR-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CC(C)CNc1cnc2c(c1)CCC2 134535115 1169192105 /nfs/dbraw/zinc/19/21/05/1169192105.db2.gz CDUUELRTXJPJKA-UHFFFAOYSA-N 0 0 190.290 2.638 10 0 AFAERN CC(=O)Oc1cccc2sccc12 137243301 1169193101 /nfs/dbraw/zinc/19/31/01/1169193101.db2.gz WAHPDDRAGGDFJC-UHFFFAOYSA-N 0 0 192.239 2.827 10 0 AFAERN CC(C)=CCC[C@H](C)OCC#N 137041544 1169193188 /nfs/dbraw/zinc/19/31/88/1169193188.db2.gz ILHWHAYQCWEGJA-JTQLQIEISA-N 0 0 167.252 2.661 10 0 AFAERN Cc1ccc(-c2ccccc2F)nn1 137519552 1169193450 /nfs/dbraw/zinc/19/34/50/1169193450.db2.gz NHLNXOHVTJDTHU-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cccc(O[C@@H]2CCCCO2)c1 136283935 1169193648 /nfs/dbraw/zinc/19/36/48/1169193648.db2.gz DUTJTXIEMNEYOH-GFCCVEGCSA-N 0 0 192.258 2.900 10 0 AFAERN CCc1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1 351292219 673972941 /nfs/dbraw/zinc/97/29/41/673972941.db2.gz NFCLWHPIMZBHNV-IWSPIJDZSA-N 0 0 192.262 2.536 10 0 AFAERN C/C=C/C=C/C(=O)N(CC)CC(C)C 914509874 673972956 /nfs/dbraw/zinc/97/29/56/673972956.db2.gz GCKXOCOJSALWEE-ZIRGRKGMSA-N 0 0 195.306 2.623 10 0 AFAERN Cc1ccc(-c2cccc(F)c2)nn1 137502811 1169193876 /nfs/dbraw/zinc/19/38/76/1169193876.db2.gz QSYOQBBRDSBWOY-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CC(C)=CCC[C@@H](C)OCC#N 137041594 1169193922 /nfs/dbraw/zinc/19/39/22/1169193922.db2.gz ILHWHAYQCWEGJA-SNVBAGLBSA-N 0 0 167.252 2.661 10 0 AFAERN COc1cc(Cc2ccccc2)ccn1 137712361 1169193989 /nfs/dbraw/zinc/19/39/89/1169193989.db2.gz WEMTZOYNHLYUKF-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN C/C=C/C=C\C(=O)N(CC)CC(C)C 914509873 673973280 /nfs/dbraw/zinc/97/32/80/673973280.db2.gz GCKXOCOJSALWEE-WGKMIZOUSA-N 0 0 195.306 2.623 10 0 AFAERN CCc1noc([C@@H]2CC[C@H]3C[C@H]3C2)n1 351292221 673973283 /nfs/dbraw/zinc/97/32/83/673973283.db2.gz NFCLWHPIMZBHNV-YIZRAAEISA-N 0 0 192.262 2.536 10 0 AFAERN Cc1ccccc1OC(=O)CC1CC1 914707237 673973412 /nfs/dbraw/zinc/97/34/12/673973412.db2.gz FEZXMCGQPQRRQU-UHFFFAOYSA-N 0 0 190.242 2.701 10 0 AFAERN CC(C)=CCC(=O)C(C)(C)C 136646434 1169194268 /nfs/dbraw/zinc/19/42/68/1169194268.db2.gz JNIFTUCFKHNXFO-UHFFFAOYSA-N 0 0 154.253 2.958 10 0 AFAERN C=CC[C@H](C)OC(=O)c1ccccc1 32165727 673973518 /nfs/dbraw/zinc/97/35/18/673973518.db2.gz QLQPHDBTEQSJKE-JTQLQIEISA-N 0 0 190.242 2.808 10 0 AFAERN CC(C)[C@@H](C)OC(=O)c1ccccc1 32166130 673973524 /nfs/dbraw/zinc/97/35/24/673973524.db2.gz LTUYGFZKXSBLDW-SNVBAGLBSA-N 0 0 192.258 2.888 10 0 AFAERN CCC/C=C/COC(=O)C(C)C 32164953 673973584 /nfs/dbraw/zinc/97/35/84/673973584.db2.gz DSFNTAVCWZDPEB-VOTSOKGWSA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)[C@H](C)OC(=O)c1ccccc1 32166132 673973701 /nfs/dbraw/zinc/97/37/01/673973701.db2.gz LTUYGFZKXSBLDW-JTQLQIEISA-N 0 0 192.258 2.888 10 0 AFAERN Cc1cccc(OC(=O)CC2CC2)c1 914706541 673973721 /nfs/dbraw/zinc/97/37/21/673973721.db2.gz PTJWFZNMCFZJNI-UHFFFAOYSA-N 0 0 190.242 2.701 10 0 AFAERN C=CC[C@@H](C)OC(=O)c1ccccc1 32165729 673973729 /nfs/dbraw/zinc/97/37/29/673973729.db2.gz QLQPHDBTEQSJKE-SNVBAGLBSA-N 0 0 190.242 2.808 10 0 AFAERN CCc1ccc2c(c1)OC(F)(F)O2 137330674 1169195316 /nfs/dbraw/zinc/19/53/16/1169195316.db2.gz SYECJJDJSIAYNT-UHFFFAOYSA-N 0 0 186.157 2.571 10 0 AFAERN CCCc1cc(C(C)=O)ccc1OC 137165859 1169194743 /nfs/dbraw/zinc/19/47/43/1169194743.db2.gz SCLUPMQCUCAMRO-UHFFFAOYSA-N 0 0 192.258 2.850 10 0 AFAERN COc1ncccc1Cc1ccccc1 137698166 1169194815 /nfs/dbraw/zinc/19/48/15/1169194815.db2.gz SXCVRDXQFIZSFR-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN Cc1ccc(-c2ccc(F)cc2)nn1 137502906 1169195082 /nfs/dbraw/zinc/19/50/82/1169195082.db2.gz KCWNCVMHQZXBMU-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cccc2c(N(C)C)nccc12 136825570 1169195219 /nfs/dbraw/zinc/19/52/19/1169195219.db2.gz UCDJLHGQMWWXGO-UHFFFAOYSA-N 0 0 186.258 2.609 10 0 AFAERN CCCCOC(=O)N1CCCCCC1 137658359 1169195243 /nfs/dbraw/zinc/19/52/43/1169195243.db2.gz AXXDYYNBXNXBSM-UHFFFAOYSA-N 0 0 199.294 2.799 10 0 AFAERN Cc1cccc(O[C@H]2CCCCO2)c1 136283976 1169195516 /nfs/dbraw/zinc/19/55/16/1169195516.db2.gz DUTJTXIEMNEYOH-LBPRGKRZSA-N 0 0 192.258 2.900 10 0 AFAERN C[C@@H](O)c1ccc(-c2cccnc2)cc1 138516983 1169196441 /nfs/dbraw/zinc/19/64/41/1169196441.db2.gz NOSSKTWOVVHNRV-SNVBAGLBSA-N 0 0 199.253 2.802 10 0 AFAERN CC(=O)Cc1ccc(Cl)c(C)c1 84447673 673975988 /nfs/dbraw/zinc/97/59/88/673975988.db2.gz IBWJYLYAQFGFSF-UHFFFAOYSA-N 0 0 182.650 2.780 10 0 AFAERN CC[C@H](C)OC(=O)NC1CCCCC1 138660234 1169196682 /nfs/dbraw/zinc/19/66/82/1169196682.db2.gz ZKOGSTKXIVEPRH-VIFPVBQESA-N 0 0 199.294 2.844 10 0 AFAERN CCCCc1cc2cccnc2[nH]1 138715670 1169196690 /nfs/dbraw/zinc/19/66/90/1169196690.db2.gz GIVFSJZBJRDWLN-UHFFFAOYSA-N 0 0 174.247 2.906 10 0 AFAERN CC(C)/C=C/C(=O)OCCC(C)C 197315800 673976148 /nfs/dbraw/zinc/97/61/48/673976148.db2.gz CPDZHTLUFXUAKD-AATRIKPKSA-N 0 0 184.279 2.788 10 0 AFAERN CC1=CN(C(=O)OC(C)(C)C)CCC1 139290924 1169197187 /nfs/dbraw/zinc/19/71/87/1169197187.db2.gz OIYKCDYMGQZJJL-UHFFFAOYSA-N 0 0 197.278 2.921 10 0 AFAERN CC[C@@H](C)OC(=O)NC1CCCCC1 138660117 1169197203 /nfs/dbraw/zinc/19/72/03/1169197203.db2.gz ZKOGSTKXIVEPRH-SECBINFHSA-N 0 0 199.294 2.844 10 0 AFAERN CC(=O)Oc1ccc(C)c(Cl)c1 139368135 1169197249 /nfs/dbraw/zinc/19/72/49/1169197249.db2.gz GWZZIAIDECRFAH-UHFFFAOYSA-N 0 0 184.622 2.574 10 0 AFAERN Cc1cncc(-c2cncc(C)c2)c1 139489442 1169197270 /nfs/dbraw/zinc/19/72/70/1169197270.db2.gz IEBXLOHVKJAFHJ-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CC(C)Oc1c(F)ccc(F)c1F 138305661 1169197422 /nfs/dbraw/zinc/19/74/22/1169197422.db2.gz TWXXMBDYOANEKC-UHFFFAOYSA-N 0 0 190.164 2.891 10 0 AFAERN Cc1ccc(O)cc1CC(F)(F)F 138544677 1169197550 /nfs/dbraw/zinc/19/75/50/1169197550.db2.gz NLYFIFFPDHWRBR-UHFFFAOYSA-N 0 0 190.164 2.805 10 0 AFAERN C[C@H](O)c1ccc(-c2cccnc2)cc1 138516868 1169198025 /nfs/dbraw/zinc/19/80/25/1169198025.db2.gz NOSSKTWOVVHNRV-JTQLQIEISA-N 0 0 199.253 2.802 10 0 AFAERN CCCCNc1nc(C)cc(Cl)n1 138716071 1169198525 /nfs/dbraw/zinc/19/85/25/1169198525.db2.gz IKNJTAQJUKGGOU-UHFFFAOYSA-N 0 0 199.685 2.650 10 0 AFAERN c1c[nH]c(CC2CCCCC2)n1 140564894 1169199219 /nfs/dbraw/zinc/19/92/19/1169199219.db2.gz XXDRISNRHRYQFA-UHFFFAOYSA-N 0 0 164.252 2.533 10 0 AFAERN CCCc1ccc(C(=O)OC)c(C)c1 140521742 1169199136 /nfs/dbraw/zinc/19/91/36/1169199136.db2.gz ORYLLFXLPYKGLG-UHFFFAOYSA-N 0 0 192.258 2.734 10 0 AFAERN CC(C)OC(=O)NCC1CC(C)(C)C1 701467773 673978641 /nfs/dbraw/zinc/97/86/41/673978641.db2.gz HQEFZNVWBONTLP-UHFFFAOYSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)=CCc1cccc(CO)c1 140663604 1169199445 /nfs/dbraw/zinc/19/94/45/1169199445.db2.gz JOCYDMHRJHGCBM-UHFFFAOYSA-N 0 0 176.259 2.688 10 0 AFAERN CCOC(=O)CCCCc1ccoc1 140211970 1169200128 /nfs/dbraw/zinc/20/01/28/1169200128.db2.gz GVCGTJZGYQJKRB-UHFFFAOYSA-N 0 0 196.246 2.556 10 0 AFAERN CC(C)OC(=O)NC[C@]1(C)CC1(C)C 702417572 673979804 /nfs/dbraw/zinc/97/98/04/673979804.db2.gz MAHBBNRPABCJDK-NSHDSACASA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)OC(=O)NC[C@@]1(C)CC1(C)C 702417571 673980354 /nfs/dbraw/zinc/98/03/54/673980354.db2.gz MAHBBNRPABCJDK-LLVKDONJSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)OC(=O)N1CCCC[C@H](C)C1 703192512 673981264 /nfs/dbraw/zinc/98/12/64/673981264.db2.gz IFNOSPYVJJMPOW-JTQLQIEISA-N 0 0 199.294 2.653 10 0 AFAERN CC(C)OC(=O)N1CCCC[C@@H](C)C1 703192514 673981354 /nfs/dbraw/zinc/98/13/54/673981354.db2.gz IFNOSPYVJJMPOW-SNVBAGLBSA-N 0 0 199.294 2.653 10 0 AFAERN C=Cc1ccc2c(c1)OCCC2 140969320 1169202541 /nfs/dbraw/zinc/20/25/41/1169202541.db2.gz WIPQRHLZLLKKFE-UHFFFAOYSA-N 0 0 160.216 2.655 10 0 AFAERN C#CCc1ccccc1Cl 141550134 1169202700 /nfs/dbraw/zinc/20/27/00/1169202700.db2.gz VIIHQTGGWUKXCH-UHFFFAOYSA-N 0 0 150.608 2.516 10 0 AFAERN C/C=C(\C)c1ccc(O)cc1 141528151 1169202939 /nfs/dbraw/zinc/20/29/39/1169202939.db2.gz PFELYLAPXZVPIE-FPYGCLRLSA-N 0 0 148.205 2.815 10 0 AFAERN CC(C)=CCc1ccc(CO)cc1 140828296 1169203164 /nfs/dbraw/zinc/20/31/64/1169203164.db2.gz XHWYPURCGHCQFU-UHFFFAOYSA-N 0 0 176.259 2.688 10 0 AFAERN COCCCc1ccccc1C 140821719 1169203749 /nfs/dbraw/zinc/20/37/49/1169203749.db2.gz WCPSSYMCQDECKV-UHFFFAOYSA-N 0 0 164.248 2.574 10 0 AFAERN N#CCCCCc1ccsc1 141007091 1169203794 /nfs/dbraw/zinc/20/37/94/1169203794.db2.gz YLRSFMKCMNDNJY-UHFFFAOYSA-N 0 0 165.261 2.984 10 0 AFAERN COC1CC(CNc2ccccc2)C1 703447343 673983520 /nfs/dbraw/zinc/98/35/20/673983520.db2.gz WEJMCLNLGNUGJQ-UHFFFAOYSA-N 0 0 191.274 2.524 10 0 AFAERN CC(C)OC(=O)[C@@H]1C[C@H]1C(C)(C)C 704141252 673983762 /nfs/dbraw/zinc/98/37/62/673983762.db2.gz JJVSVHUSIVFCKU-RKDXNWHRSA-N 0 0 184.279 2.620 10 0 AFAERN Cc1cc(N)ccc1-c1nccs1 141657580 1169204185 /nfs/dbraw/zinc/20/41/85/1169204185.db2.gz OOELYXBZHZKDLM-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCCCc1cccc(CO)c1 141120739 1169204407 /nfs/dbraw/zinc/20/44/07/1169204407.db2.gz QDXLLZRWOQIJSK-UHFFFAOYSA-N 0 0 164.248 2.522 10 0 AFAERN CCN(CC)C(=O)[C@@H]1C[C@H]1C(C)(C)C 704158633 673984535 /nfs/dbraw/zinc/98/45/35/673984535.db2.gz CVSXIISAWBXQQI-NXEZZACHSA-N 0 0 197.322 2.537 10 0 AFAERN Clc1cnc(C2CC2)nc1Cl 140841987 1169205050 /nfs/dbraw/zinc/20/50/50/1169205050.db2.gz GWEYNHGYEHXDLF-UHFFFAOYSA-N 0 0 189.045 2.661 10 0 AFAERN C/C=C/CNC(=O)OC1CCCCC1 704352961 673985078 /nfs/dbraw/zinc/98/50/78/673985078.db2.gz ZNMVGZLUCFOSIN-NSCUHMNNSA-N 0 0 197.278 2.621 10 0 AFAERN C/C=C\CNC(=O)OC1CCCCC1 704352960 673985279 /nfs/dbraw/zinc/98/52/79/673985279.db2.gz ZNMVGZLUCFOSIN-IHWYPQMZSA-N 0 0 197.278 2.621 10 0 AFAERN Cc1ncc(-c2ccccc2C)cn1 142132878 1169205916 /nfs/dbraw/zinc/20/59/16/1169205916.db2.gz JDRNSCFDQLIPGE-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CC(C)=CCCOc1cccnc1F 704750845 673985591 /nfs/dbraw/zinc/98/55/91/673985591.db2.gz GXEAHKBORYJYKJ-UHFFFAOYSA-N 0 0 195.237 2.956 10 0 AFAERN CCc1cccc(-c2cn[nH]c2)c1 141960978 1169207166 /nfs/dbraw/zinc/20/71/66/1169207166.db2.gz KCTIIDPAKSYOEI-UHFFFAOYSA-N 0 0 172.231 2.639 10 0 AFAERN C1=C[C@H](OCc2ccccc2)CC1 141700578 1169207273 /nfs/dbraw/zinc/20/72/73/1169207273.db2.gz UFSZRFQRWVWKMW-LBPRGKRZSA-N 0 0 174.243 2.922 10 0 AFAERN Fc1ccc(Cc2ccccn2)cc1 142310285 1169207371 /nfs/dbraw/zinc/20/73/71/1169207371.db2.gz QFKKILQQPKNFTR-UHFFFAOYSA-N 0 0 187.217 2.812 10 0 AFAERN C=Cc1ccc(C(C)C)nc1 141828279 1169207525 /nfs/dbraw/zinc/20/75/25/1169207525.db2.gz ZWKWRXOQUUMNCD-UHFFFAOYSA-N 0 0 147.221 2.848 10 0 AFAERN C=Cc1ccc(C)c(OC)c1 141926145 1169207916 /nfs/dbraw/zinc/20/79/16/1169207916.db2.gz LWZYWJIHUJMCOT-UHFFFAOYSA-N 0 0 148.205 2.647 10 0 AFAERN CC(C)c1ccc2c(c1)OCC2 142297747 1169208048 /nfs/dbraw/zinc/20/80/48/1169208048.db2.gz CNQFDSRZNMTELS-UHFFFAOYSA-N 0 0 162.232 2.745 10 0 AFAERN Cc1cccc(-c2ccc(N)cc2C)n1 141992206 1169208154 /nfs/dbraw/zinc/20/81/54/1169208154.db2.gz NPUQZHQMYVCZKK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN c1cncc(-c2ccc3[nH]cnc3c2)c1 142470604 1169208652 /nfs/dbraw/zinc/20/86/52/1169208652.db2.gz PJQQTVCKUXLOCR-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CSC1CCC(F)(F)CC1 708293078 673990335 /nfs/dbraw/zinc/99/03/35/673990335.db2.gz PNWMGIYXBORYJU-UHFFFAOYSA-N 0 0 166.236 2.927 10 0 AFAERN Cc1ccc(C(C)C)c(C)n1 142702900 1169210543 /nfs/dbraw/zinc/21/05/43/1169210543.db2.gz HDMBKXIIBWEELO-UHFFFAOYSA-N 0 0 149.237 2.822 10 0 AFAERN CCc1cc(-c2ccc(N)cc2)ccn1 142535687 1169211238 /nfs/dbraw/zinc/21/12/38/1169211238.db2.gz DCTOSUSJSDFHEJ-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CCOc1ccccc1OC(C)C 143645648 1169211737 /nfs/dbraw/zinc/21/17/37/1169211737.db2.gz GCGSUPLPYBGQMQ-UHFFFAOYSA-N 0 0 180.247 2.873 10 0 AFAERN CC/C=C\COC(=O)C(C)(C)C 143305507 1169212350 /nfs/dbraw/zinc/21/23/50/1169212350.db2.gz DCITWXVJCQYNBL-SREVYHEPSA-N 0 0 170.252 2.542 10 0 AFAERN C[C@H](Cn1ccnc1)CC(C)(C)C 709113493 673993198 /nfs/dbraw/zinc/99/31/98/673993198.db2.gz RGPQXGZIBNYTLQ-JTQLQIEISA-N 0 0 180.295 2.955 10 0 AFAERN C=Cc1ccncc1C(F)(F)F 143385040 1169212861 /nfs/dbraw/zinc/21/28/61/1169212861.db2.gz XBHKNRXKYBBKHH-UHFFFAOYSA-N 0 0 173.137 2.743 10 0 AFAERN C[C@@H](Cn1ccnc1)CC(C)(C)C 709113494 673993479 /nfs/dbraw/zinc/99/34/79/673993479.db2.gz RGPQXGZIBNYTLQ-SNVBAGLBSA-N 0 0 180.295 2.955 10 0 AFAERN c1cc2cc(-c3cn[nH]c3)ccc2o1 143239066 1169213020 /nfs/dbraw/zinc/21/30/20/1169213020.db2.gz DMGMUNIKGHRSBS-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Fc1ncccc1C1=CCSCC1 143218214 1169213136 /nfs/dbraw/zinc/21/31/36/1169213136.db2.gz ZAXAGYNZEQAUSD-UHFFFAOYSA-N 0 0 195.262 2.741 10 0 AFAERN CCCCC[C@H](CC)OC[C@@H](C)O 143499741 1169214144 /nfs/dbraw/zinc/21/41/44/1169214144.db2.gz HIHCHRKDSFIIPE-MNOVXSKESA-N 0 0 188.311 2.743 10 0 AFAERN C/C=C\C(=O)N[C@H](C)C(C)(C)CC 710052597 673995198 /nfs/dbraw/zinc/99/51/98/673995198.db2.gz CWOCJGIVRPMRLA-JGAIRUGNSA-N 0 0 183.295 2.503 10 0 AFAERN CCCCC[C@@H](CC)OC[C@H](C)O 143499889 1169214486 /nfs/dbraw/zinc/21/44/86/1169214486.db2.gz HIHCHRKDSFIIPE-WDEREUQCSA-N 0 0 188.311 2.743 10 0 AFAERN CCC(CC)Nc1ncnc(F)c1C 710165057 673995562 /nfs/dbraw/zinc/99/55/62/673995562.db2.gz LRVJATSMKYIJEG-UHFFFAOYSA-N 0 0 197.257 2.525 10 0 AFAERN C/C=C/C(=O)N[C@H](C)C(C)(C)CC 710052596 673995578 /nfs/dbraw/zinc/99/55/78/673995578.db2.gz CWOCJGIVRPMRLA-BNICOGTQSA-N 0 0 183.295 2.503 10 0 AFAERN C/C=C\C(=O)N[C@@H](C)C(C)(C)CC 710052599 673995589 /nfs/dbraw/zinc/99/55/89/673995589.db2.gz CWOCJGIVRPMRLA-XZLDQRQTSA-N 0 0 183.295 2.503 10 0 AFAERN C/C=C/C(=O)N[C@@H](C)C(C)(C)CC 710052598 673995618 /nfs/dbraw/zinc/99/56/18/673995618.db2.gz CWOCJGIVRPMRLA-ORZBULNSSA-N 0 0 183.295 2.503 10 0 AFAERN CC(C)c1ccc(-n2cccn2)cc1 143481490 1169214729 /nfs/dbraw/zinc/21/47/29/1169214729.db2.gz OPLGBOTVSSGWTQ-UHFFFAOYSA-N 0 0 186.258 2.996 10 0 AFAERN CCCOC(=O)N[C@H](C)CC1CCC1 710207704 673995935 /nfs/dbraw/zinc/99/59/35/673995935.db2.gz XFKYWSIBFUBVRU-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN CCCCC[C@@H](CC)OC[C@@H](C)O 143499586 1169215052 /nfs/dbraw/zinc/21/50/52/1169215052.db2.gz HIHCHRKDSFIIPE-GHMZBOCLSA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)OC(=O)N[C@@H](C)CC1CCC1 710277516 673996151 /nfs/dbraw/zinc/99/61/51/673996151.db2.gz PDFYKIDJMILVEQ-VIFPVBQESA-N 0 0 199.294 2.700 10 0 AFAERN CC(C)(C)COC(=O)N1CCCCC1 143291258 1169215208 /nfs/dbraw/zinc/21/52/08/1169215208.db2.gz UEPJYVVKJMZBTQ-UHFFFAOYSA-N 0 0 199.294 2.655 10 0 AFAERN CC(C)=CC(=O)N[C@@H](C)CC1CCC1 710264238 673996368 /nfs/dbraw/zinc/99/63/68/673996368.db2.gz UYWDUYAHIBEIGR-JTQLQIEISA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)OC(=O)N[C@H](C)CC1CCC1 710277515 673996382 /nfs/dbraw/zinc/99/63/82/673996382.db2.gz PDFYKIDJMILVEQ-SECBINFHSA-N 0 0 199.294 2.700 10 0 AFAERN CCC(=O)Cc1ccc(OC)c(C)c1 143397032 1169215417 /nfs/dbraw/zinc/21/54/17/1169215417.db2.gz AEFGTZBKKOUEAC-UHFFFAOYSA-N 0 0 192.258 2.525 10 0 AFAERN CN(C)c1ccc(-c2ccccc2)nc1 143243280 1169215458 /nfs/dbraw/zinc/21/54/58/1169215458.db2.gz KMIKVMALGAOZIC-UHFFFAOYSA-N 0 0 198.269 2.815 10 0 AFAERN CCCCC1(C(=O)OCC)CC1 143265585 1169215526 /nfs/dbraw/zinc/21/55/26/1169215526.db2.gz QSSDNCNLZMZFRQ-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN CCCOC(=O)N[C@@H](C)CC1CCC1 710207706 673996867 /nfs/dbraw/zinc/99/68/67/673996867.db2.gz XFKYWSIBFUBVRU-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN CCCCC[C@H](CC)OC[C@H](C)O 143500061 1169215751 /nfs/dbraw/zinc/21/57/51/1169215751.db2.gz HIHCHRKDSFIIPE-QWRGUYRKSA-N 0 0 188.311 2.743 10 0 AFAERN Cc1cc(-c2ccc(C)c(N)c2)ccn1 143892888 1169216213 /nfs/dbraw/zinc/21/62/13/1169216213.db2.gz ZXSYRGKAKXJGJS-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC[C@H](C)OC(=O)NCCC(C)C 144314510 1169216834 /nfs/dbraw/zinc/21/68/34/1169216834.db2.gz ALKRVIKDZXMWJE-VIFPVBQESA-N 0 0 187.283 2.557 10 0 AFAERN CC(C)CCc1cccc(CO)c1 143756991 1169216885 /nfs/dbraw/zinc/21/68/85/1169216885.db2.gz IRMQENCWASGECG-UHFFFAOYSA-N 0 0 178.275 2.768 10 0 AFAERN CCCCOC(=O)C12CCC(CC1)C2 711009590 673998609 /nfs/dbraw/zinc/99/86/09/673998609.db2.gz DVWWJXLKXTVYNU-UHFFFAOYSA-N 0 0 196.290 2.910 10 0 AFAERN COc1ccnc(-c2ccsc2)c1 144260107 1169219079 /nfs/dbraw/zinc/21/90/79/1169219079.db2.gz FTXRFROSALGXNB-UHFFFAOYSA-N 0 0 191.255 2.819 10 0 AFAERN CC[C@@H](C)Oc1ccc2cc[nH]c2n1 144145450 1169219261 /nfs/dbraw/zinc/21/92/61/1169219261.db2.gz ULTYDYJUGAOSKP-MRVPVSSYSA-N 0 0 190.246 2.740 10 0 AFAERN Cc1cc(-c2cccc(O)c2)ccn1 144615533 1169220141 /nfs/dbraw/zinc/22/01/41/1169220141.db2.gz PDYIUPBZAVZUKU-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN c1cc(-c2cncnc2)c2cc[nH]c2c1 144433236 1169220251 /nfs/dbraw/zinc/22/02/51/1169220251.db2.gz BCFUHGKWAQFVQE-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN Nc1cccc(Nc2ccccc2N)c1 144838095 1169222399 /nfs/dbraw/zinc/22/23/99/1169222399.db2.gz JESWQWXCVKUZSK-UHFFFAOYSA-N 0 0 199.257 2.595 10 0 AFAERN Cc1cccnc1-c1ccc(CO)cc1 144654894 1169222659 /nfs/dbraw/zinc/22/26/59/1169222659.db2.gz BHZIXWRWYBBDHE-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1ccc(CC(C)(C)C)cn1 145463935 1169223743 /nfs/dbraw/zinc/22/37/43/1169223743.db2.gz KTFCUHXIXSGAFY-UHFFFAOYSA-N 0 0 163.264 2.979 10 0 AFAERN C=Cc1cccc(OC(C)C)n1 145306154 1169223826 /nfs/dbraw/zinc/22/38/26/1169223826.db2.gz UZHXYBPQIFUQTD-UHFFFAOYSA-N 0 0 163.220 2.512 10 0 AFAERN C[C@H](CO)SCCCC(C)(F)F 718660853 674006008 /nfs/dbraw/zinc/00/60/08/674006008.db2.gz IPIRORFLGXNWMT-SSDOTTSWSA-N 0 0 198.278 2.536 10 0 AFAERN Cc1cnc(-c2ccccc2F)nc1 145574464 1169224742 /nfs/dbraw/zinc/22/47/42/1169224742.db2.gz MFCDMMWGGAEYRG-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CCCOC(=O)[C@@H](CC)CC(F)F 838398517 674006668 /nfs/dbraw/zinc/00/66/68/674006668.db2.gz LXJDDGLDSLXNQQ-ZETCQYMHSA-N 0 0 194.221 2.621 10 0 AFAERN CC(C)CCCCC(=O)OCCF 838428422 674006671 /nfs/dbraw/zinc/00/66/71/674006671.db2.gz DVKDXGOMNQRPJH-UHFFFAOYSA-N 0 0 190.258 2.716 10 0 AFAERN CCCOC(=O)[C@H](CC)CC(F)F 838398516 674006692 /nfs/dbraw/zinc/00/66/92/674006692.db2.gz LXJDDGLDSLXNQQ-SSDOTTSWSA-N 0 0 194.221 2.621 10 0 AFAERN CCc1cc(Cl)cc(OC)c1 145513006 1169225069 /nfs/dbraw/zinc/22/50/69/1169225069.db2.gz BXYCIGSHZOPDQG-UHFFFAOYSA-N 0 0 170.639 2.911 10 0 AFAERN Cc1ncc(-c2ccccc2F)cn1 145047060 1169225285 /nfs/dbraw/zinc/22/52/85/1169225285.db2.gz IBEGWUKBOXWGST-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN COc1cc(C(C)C)ccc1F 145101037 1169225384 /nfs/dbraw/zinc/22/53/84/1169225384.db2.gz VVEIWBDEWGACMR-UHFFFAOYSA-N 0 0 168.211 2.958 10 0 AFAERN C1=C(c2cccnc2)CCC1 145548852 1169226399 /nfs/dbraw/zinc/22/63/99/1169226399.db2.gz MQDGOBCPTMTQBS-UHFFFAOYSA-N 0 0 145.205 2.649 10 0 AFAERN CC(C)SC1CCC1 145377639 1169226581 /nfs/dbraw/zinc/22/65/81/1169226581.db2.gz AEQOTEQYIBOJGL-UHFFFAOYSA-N 0 0 130.256 2.681 10 0 AFAERN CC(=O)Oc1ccc(C2CCC2)cc1 767228634 674007996 /nfs/dbraw/zinc/00/79/96/674007996.db2.gz FRNFUBJETSFJEV-UHFFFAOYSA-N 0 0 190.242 2.879 10 0 AFAERN Nc1ccc(C2=CCSCC2)cc1 146049054 1169227354 /nfs/dbraw/zinc/22/73/54/1169227354.db2.gz JADQJPYCPIUEAY-UHFFFAOYSA-N 0 0 191.299 2.789 10 0 AFAERN Cc1cncc(-c2ccc(CO)cc2)c1 145833758 1169227382 /nfs/dbraw/zinc/22/73/82/1169227382.db2.gz BWQGSYQGBGKSQS-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN CCCCC[C@H](C)NC(=O)C1=CCC1 770473589 674008840 /nfs/dbraw/zinc/00/88/40/674008840.db2.gz NPDDLBZHOQWYBX-JTQLQIEISA-N 0 0 195.306 2.792 10 0 AFAERN CCCCC[C@@H](C)NC(=O)C1=CCC1 770473590 674008842 /nfs/dbraw/zinc/00/88/42/674008842.db2.gz NPDDLBZHOQWYBX-SNVBAGLBSA-N 0 0 195.306 2.792 10 0 AFAERN CN(Cc1ccoc1)c1ccccc1 770502501 674008850 /nfs/dbraw/zinc/00/88/50/674008850.db2.gz YOUWAEMZCVIPGW-UHFFFAOYSA-N 0 0 187.242 2.916 10 0 AFAERN O=C(OC[C@H]1CC=CCC1)C1=CCC1 770528465 674008899 /nfs/dbraw/zinc/00/88/99/674008899.db2.gz ZPUFIWOXJMSTQP-JTQLQIEISA-N 0 0 192.258 2.606 10 0 AFAERN O=C(OC[C@@H]1CC=CCC1)C1=CCC1 770528468 674008901 /nfs/dbraw/zinc/00/89/01/674008901.db2.gz ZPUFIWOXJMSTQP-SNVBAGLBSA-N 0 0 192.258 2.606 10 0 AFAERN COc1cccc(Cc2ccccc2)n1 145689319 1169227692 /nfs/dbraw/zinc/22/76/92/1169227692.db2.gz PUEAMUBDFAAVEE-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN C[C@H]1CC[C@@H](OC(=O)CC2CCC2)C1 779261879 674009144 /nfs/dbraw/zinc/00/91/44/674009144.db2.gz HOUBWLLSJVWGJC-GXSJLCMTSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@@H]1CC[C@@H](OC(=O)CC2CCC2)C1 779261884 674009149 /nfs/dbraw/zinc/00/91/49/674009149.db2.gz HOUBWLLSJVWGJC-MWLCHTKSSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@@H]1CC[C@H](OC(=O)CC2CCC2)C1 779261881 674009205 /nfs/dbraw/zinc/00/92/05/674009205.db2.gz HOUBWLLSJVWGJC-KOLCDFICSA-N 0 0 196.290 2.908 10 0 AFAERN CCC1(C(=O)O[C@H]2CC[C@H](C)C2)CC1 779258051 674009211 /nfs/dbraw/zinc/00/92/11/674009211.db2.gz FSVOYHMUKHISSM-UWVGGRQHSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@H]1CC[C@H](OC(=O)CC2CCC2)C1 779261887 674009239 /nfs/dbraw/zinc/00/92/39/674009239.db2.gz HOUBWLLSJVWGJC-ONGXEEELSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@@H]1CC[C@@H](OC(=O)/C=C\C2CC2)C1 779261802 674009247 /nfs/dbraw/zinc/00/92/47/674009247.db2.gz CYBXICPEUBXDMI-PHHYPKRSSA-N 0 0 194.274 2.684 10 0 AFAERN CCC1(C(=O)O[C@H]2CC[C@@H](C)C2)CC1 779258055 674009279 /nfs/dbraw/zinc/00/92/79/674009279.db2.gz FSVOYHMUKHISSM-ZJUUUORDSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@@H]1CC[C@H](OC(=O)/C=C\C2CC2)C1 779261792 674009289 /nfs/dbraw/zinc/00/92/89/674009289.db2.gz CYBXICPEUBXDMI-CZVSDVRESA-N 0 0 194.274 2.684 10 0 AFAERN C[C@@H]1CC[C@H](OC(=O)/C=C/C2CC2)C1 779261796 674009318 /nfs/dbraw/zinc/00/93/18/674009318.db2.gz CYBXICPEUBXDMI-IWUOWKGWSA-N 0 0 194.274 2.684 10 0 AFAERN Cc1cc(F)ccc1-c1cnccn1 145991629 1169228051 /nfs/dbraw/zinc/22/80/51/1169228051.db2.gz UCCKKPNDNBFHGP-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN C[C@@H]1CC[C@@H](OC(=O)/C=C/C2CC2)C1 779261811 674009325 /nfs/dbraw/zinc/00/93/25/674009325.db2.gz CYBXICPEUBXDMI-RCKQQEMXSA-N 0 0 194.274 2.684 10 0 AFAERN CCC1(C(=O)O[C@@H]2CC[C@H](C)C2)CC1 779258053 674009329 /nfs/dbraw/zinc/00/93/29/674009329.db2.gz FSVOYHMUKHISSM-VHSXEESVSA-N 0 0 196.290 2.908 10 0 AFAERN CCC1(C(=O)O[C@@H]2CC[C@@H](C)C2)CC1 779258049 674009336 /nfs/dbraw/zinc/00/93/36/674009336.db2.gz FSVOYHMUKHISSM-NXEZZACHSA-N 0 0 196.290 2.908 10 0 AFAERN C=Cc1cnccc1C(F)(F)F 145872544 1169228171 /nfs/dbraw/zinc/22/81/71/1169228171.db2.gz KEIZBPWTKFTMPF-UHFFFAOYSA-N 0 0 173.137 2.743 10 0 AFAERN Cc1ccccc1Nc1cnccn1 146140781 1169228286 /nfs/dbraw/zinc/22/82/86/1169228286.db2.gz MOYUASMNFMWUJV-UHFFFAOYSA-N 0 0 185.230 2.529 10 0 AFAERN CC(C)C(C)(C)C(=O)OC[C@H]1C[C@H]1C 784499526 674009552 /nfs/dbraw/zinc/00/95/52/674009552.db2.gz PLJAASPPKDCXPW-NXEZZACHSA-N 0 0 198.306 2.868 10 0 AFAERN CC(C)C(C)(C)C(=O)O[C@@H]1C=CCC1 784541468 674009562 /nfs/dbraw/zinc/00/95/62/674009562.db2.gz HZMVXLPGMIGEFP-SNVBAGLBSA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)C(C)(C)C(=O)OC[C@@H]1C[C@@H]1C 784499527 674009570 /nfs/dbraw/zinc/00/95/70/674009570.db2.gz PLJAASPPKDCXPW-UWVGGRQHSA-N 0 0 198.306 2.868 10 0 AFAERN CC(C)C(C)(C)C(=O)O[C@H]1C=CCC1 784541467 674009578 /nfs/dbraw/zinc/00/95/78/674009578.db2.gz HZMVXLPGMIGEFP-JTQLQIEISA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)C(C)(C)C(=O)OC[C@@H]1C[C@H]1C 784499531 674009585 /nfs/dbraw/zinc/00/95/85/674009585.db2.gz PLJAASPPKDCXPW-ZJUUUORDSA-N 0 0 198.306 2.868 10 0 AFAERN CC(C)C(C)(C)C(=O)OC[C@H]1C[C@@H]1C 784499529 674009596 /nfs/dbraw/zinc/00/95/96/674009596.db2.gz PLJAASPPKDCXPW-VHSXEESVSA-N 0 0 198.306 2.868 10 0 AFAERN CC(C)(C)Cc1ccncc1F 145828550 1169228651 /nfs/dbraw/zinc/22/86/51/1169228651.db2.gz GEALTAMWUDKRQN-UHFFFAOYSA-N 0 0 167.227 2.809 10 0 AFAERN CC/C=C/COC(=O)C(C)(C)C1CC1 805863156 674010058 /nfs/dbraw/zinc/01/00/58/674010058.db2.gz UTRFQLRRMISBES-AATRIKPKSA-N 0 0 196.290 2.932 10 0 AFAERN CC/C=C\COC(=O)C(C)(C)C1CC1 805863157 674010094 /nfs/dbraw/zinc/01/00/94/674010094.db2.gz UTRFQLRRMISBES-WAYWQWQTSA-N 0 0 196.290 2.932 10 0 AFAERN COCOc1cccc(C(C)C)c1 146060471 1169229059 /nfs/dbraw/zinc/22/90/59/1169229059.db2.gz WEPDRINYDRTANQ-UHFFFAOYSA-N 0 0 180.247 2.793 10 0 AFAERN CC(C)Cc1cccc([C@@H](C)O)c1 145818071 1169229127 /nfs/dbraw/zinc/22/91/27/1169229127.db2.gz LNFZJMPPEBPBCX-SNVBAGLBSA-N 0 0 178.275 2.938 10 0 AFAERN CC(C)Cc1cccc([C@H](C)O)c1 145818260 1169229193 /nfs/dbraw/zinc/22/91/93/1169229193.db2.gz LNFZJMPPEBPBCX-JTQLQIEISA-N 0 0 178.275 2.938 10 0 AFAERN CC(C)(C)CNc1nccc(Cl)n1 146128497 1169229323 /nfs/dbraw/zinc/22/93/23/1169229323.db2.gz ROSIKIGDOJQHMW-UHFFFAOYSA-N 0 0 199.685 2.588 10 0 AFAERN Cc1cc(C(C)C)ccc1C#N 146072832 1169229341 /nfs/dbraw/zinc/22/93/41/1169229341.db2.gz HLICVVXUKJUGKO-UHFFFAOYSA-N 0 0 159.232 2.990 10 0 AFAERN C/C=C(\C)c1cccc(O)c1 146109232 1169229357 /nfs/dbraw/zinc/22/93/57/1169229357.db2.gz YGEWQEHTMWGYPN-FPYGCLRLSA-N 0 0 148.205 2.815 10 0 AFAERN COc1cc(CC(C)(C)C)ccn1 145799832 1169230328 /nfs/dbraw/zinc/23/03/28/1169230328.db2.gz GUMWYXLAYFFSRS-UHFFFAOYSA-N 0 0 179.263 2.679 10 0 AFAERN Nc1ccccc1C1=CCSCC1 146348215 1169230676 /nfs/dbraw/zinc/23/06/76/1169230676.db2.gz VOPYMDDCVDVPBB-UHFFFAOYSA-N 0 0 191.299 2.789 10 0 AFAERN CCc1cc(F)c(F)cc1OC 146277379 1169230952 /nfs/dbraw/zinc/23/09/52/1169230952.db2.gz NOWFTLYVYRSSLE-UHFFFAOYSA-N 0 0 172.174 2.536 10 0 AFAERN CCc1cc(OC)ccc1C 146289905 1169231327 /nfs/dbraw/zinc/23/13/27/1169231327.db2.gz IYQVEBDUUXLMNW-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN COCOc1ccc(Cl)cc1C 146232621 1169231460 /nfs/dbraw/zinc/23/14/60/1169231460.db2.gz NJZKZHRCLPRYHL-UHFFFAOYSA-N 0 0 186.638 2.631 10 0 AFAERN CCc1cc(F)cc(F)c1OC 146289686 1169231903 /nfs/dbraw/zinc/23/19/03/1169231903.db2.gz UVGOZLQMIIALBN-UHFFFAOYSA-N 0 0 172.174 2.536 10 0 AFAERN CC(C)C(C)(C)CSCCCO 713145156 674013391 /nfs/dbraw/zinc/01/33/91/674013391.db2.gz FWCLYGKKNQFSFO-UHFFFAOYSA-N 0 0 190.352 2.784 10 0 AFAERN Cc1cnccc1-c1cccc(O)c1 147037638 1169232815 /nfs/dbraw/zinc/23/28/15/1169232815.db2.gz XQTBEHUJURKTLJ-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccc(O)cc1CC(C)C 146759654 1169233113 /nfs/dbraw/zinc/23/31/13/1169233113.db2.gz JHHQMECQURLVFU-UHFFFAOYSA-N 0 0 164.248 2.899 10 0 AFAERN Cc1cccnc1-c1ccccc1N 147184216 1169233138 /nfs/dbraw/zinc/23/31/38/1169233138.db2.gz YRACPMIEKFQBNA-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccncc1-c1nccs1 147181254 1169233407 /nfs/dbraw/zinc/23/34/07/1169233407.db2.gz RCHBBTGKUUYDLN-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1cc(-c2ccc(O)cc2)ccn1 146842708 1169233561 /nfs/dbraw/zinc/23/35/61/1169233561.db2.gz CSXYGTUINZYSTP-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccc(Nc2ccccn2)nc1 146998516 1169234394 /nfs/dbraw/zinc/23/43/94/1169234394.db2.gz NLRZSCKGAQCKNW-UHFFFAOYSA-N 0 0 185.230 2.529 10 0 AFAERN Cc1cccc(C)c1-c1ccnc(N)c1 147196936 1169234576 /nfs/dbraw/zinc/23/45/76/1169234576.db2.gz DISYJFZPEMYXAI-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C[C@@H](Cc1ncc[nH]1)c1ccccc1 146696531 1169234820 /nfs/dbraw/zinc/23/48/20/1169234820.db2.gz IBTMRPNQSOQEME-JTQLQIEISA-N 0 0 186.258 2.756 10 0 AFAERN Cc1cccc(C)c1-c1cncc(N)c1 147159935 1169235005 /nfs/dbraw/zinc/23/50/05/1169235005.db2.gz ADDMAGKUNJZIIY-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C[C@H](Cc1ncc[nH]1)c1ccccc1 146696765 1169235401 /nfs/dbraw/zinc/23/54/01/1169235401.db2.gz IBTMRPNQSOQEME-SNVBAGLBSA-N 0 0 186.258 2.756 10 0 AFAERN CC(C)[C@@H](C)SC1=NCCS1 839978204 674021030 /nfs/dbraw/zinc/02/10/30/674021030.db2.gz HIBPUXGSVXLHFL-SSDOTTSWSA-N 0 0 189.349 2.867 10 0 AFAERN CC(C)N[C@H](c1ccccc1)C(F)F 147611248 1169235854 /nfs/dbraw/zinc/23/58/54/1169235854.db2.gz XXJVFISKIVFSJH-SNVBAGLBSA-N 0 0 199.244 2.991 10 0 AFAERN Clc1ccccc1-c1cccnn1 147244957 1169236007 /nfs/dbraw/zinc/23/60/07/1169236007.db2.gz FGPXMHKBDOXRGD-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN CC(C)N[C@@H](c1ccccc1)C(F)F 147611450 1169236730 /nfs/dbraw/zinc/23/67/30/1169236730.db2.gz XXJVFISKIVFSJH-JTQLQIEISA-N 0 0 199.244 2.991 10 0 AFAERN O=Cc1ccc(C2=CCCCC2)nc1 757566772 674019004 /nfs/dbraw/zinc/01/90/04/674019004.db2.gz NZYSNMNTRPCKBO-UHFFFAOYSA-N 0 0 187.242 2.852 10 0 AFAERN CC(C)CCCCNCC(F)F 147443151 1169237320 /nfs/dbraw/zinc/23/73/20/1169237320.db2.gz ROKFALHQEOBKPX-UHFFFAOYSA-N 0 0 179.254 2.667 10 0 AFAERN CCc1cc(C)cc(C)c1OC 147240946 1169237433 /nfs/dbraw/zinc/23/74/33/1169237433.db2.gz QTFZNPNZLBWHKO-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN CCc1nc(C)cn1CCCCF 715071325 674019639 /nfs/dbraw/zinc/01/96/39/674019639.db2.gz BUCJVKXYCUFBDM-UHFFFAOYSA-N 0 0 184.258 2.504 10 0 AFAERN CCc1cc(F)c(C)c(F)c1 147585311 1169237816 /nfs/dbraw/zinc/23/78/16/1169237816.db2.gz MIOHAWSXKOYNHG-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN Cc1cc(F)c(-c2cn[nH]c2)cc1F 148053226 1169240604 /nfs/dbraw/zinc/24/06/04/1169240604.db2.gz DUNHHOZGEDOGJC-UHFFFAOYSA-N 0 0 194.184 2.663 10 0 AFAERN Cc1ccc(-c2cccnc2F)cn1 147534383 1169238101 /nfs/dbraw/zinc/23/81/01/1169238101.db2.gz GGNZQECONSRQMH-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CCc1nc(C)cn1C[C@H](C)CC 715072814 674020516 /nfs/dbraw/zinc/02/05/16/674020516.db2.gz ZZUXXVBRSAVGLK-SECBINFHSA-N 0 0 180.295 2.800 10 0 AFAERN CCc1nc(C)cn1C[C@@H](C)CC 715072815 674020545 /nfs/dbraw/zinc/02/05/45/674020545.db2.gz ZZUXXVBRSAVGLK-VIFPVBQESA-N 0 0 180.295 2.800 10 0 AFAERN Fc1ccc(CC2CC2)cc1F 147555979 1169238423 /nfs/dbraw/zinc/23/84/23/1169238423.db2.gz QNQPJDASEYJHAY-UHFFFAOYSA-N 0 0 168.186 2.917 10 0 AFAERN CCc1csc(N[C@@H]2CC23CC3)n1 715221537 674021141 /nfs/dbraw/zinc/02/11/41/674021141.db2.gz GEUPXSHMABLKSG-MRVPVSSYSA-N 0 0 194.303 2.670 10 0 AFAERN CC(C)[C@H](C)SC1=NCCS1 839978208 674021395 /nfs/dbraw/zinc/02/13/95/674021395.db2.gz HIBPUXGSVXLHFL-ZETCQYMHSA-N 0 0 189.349 2.867 10 0 AFAERN CCc1csc(N[C@H]2CC23CC3)n1 715221547 674021559 /nfs/dbraw/zinc/02/15/59/674021559.db2.gz GEUPXSHMABLKSG-QMMMGPOBSA-N 0 0 194.303 2.670 10 0 AFAERN CC(C)(C)Cc1ccnc(C#N)c1 147870376 1169239832 /nfs/dbraw/zinc/23/98/32/1169239832.db2.gz COZBKDCRIXBMIO-UHFFFAOYSA-N 0 0 174.247 2.542 10 0 AFAERN Cc1ccc(-c2cncnc2)c(F)c1 757567411 674022063 /nfs/dbraw/zinc/02/20/63/674022063.db2.gz RYDBAHRFDWAEEN-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CNc1cccc(-c2ccccc2N)c1 148121704 1169239981 /nfs/dbraw/zinc/23/99/81/1169239981.db2.gz VOWDTRCZOCZAPU-UHFFFAOYSA-N 0 0 198.269 2.978 10 0 AFAERN Clc1cc(N[C@@H]2CC23CC3)ccn1 715554818 674022129 /nfs/dbraw/zinc/02/21/29/674022129.db2.gz MAOQIBUJDDBIHI-MRVPVSSYSA-N 0 0 194.665 2.699 10 0 AFAERN COc1ccc(CC(C)(C)C)cn1 147933615 1169240026 /nfs/dbraw/zinc/24/00/26/1169240026.db2.gz KHYICGBJBVEMMC-UHFFFAOYSA-N 0 0 179.263 2.679 10 0 AFAERN Cc1ccc(N)cc1-c1ccccc1N 148087974 1169240048 /nfs/dbraw/zinc/24/00/48/1169240048.db2.gz LEKOBWSFQSIXAT-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN Clc1cc(N[C@H]2CC23CC3)ccn1 715554819 674022345 /nfs/dbraw/zinc/02/23/45/674022345.db2.gz MAOQIBUJDDBIHI-QMMMGPOBSA-N 0 0 194.665 2.699 10 0 AFAERN Cc1ccc(CC(C)(C)C)nc1 147915970 1169240429 /nfs/dbraw/zinc/24/04/29/1169240429.db2.gz SXYLQSKIQHVXFS-UHFFFAOYSA-N 0 0 163.264 2.979 10 0 AFAERN CC(C)Cc1ccc(F)c(C#N)c1 147801554 1169240635 /nfs/dbraw/zinc/24/06/35/1169240635.db2.gz ALFDRTOWAUMQBE-UHFFFAOYSA-N 0 0 177.222 2.896 10 0 AFAERN Cc1ccc(-c2cn[nH]c2)cc1C 148054587 1169240646 /nfs/dbraw/zinc/24/06/46/1169240646.db2.gz UCNMMTBZUYWEEF-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CCCCCNC(=O)O[C@@H](C)CC 148047030 1169240662 /nfs/dbraw/zinc/24/06/62/1169240662.db2.gz YDTAHLCRBXHAAR-VIFPVBQESA-N 0 0 187.283 2.701 10 0 AFAERN C=Cc1ccc2c(c1)CCCN2 147828981 1169241332 /nfs/dbraw/zinc/24/13/32/1169241332.db2.gz AYNGODBFYUTQAZ-UHFFFAOYSA-N 0 0 159.232 2.688 10 0 AFAERN CC(C)=CC(=O)NCCCCC1CC1 716330023 674023769 /nfs/dbraw/zinc/02/37/69/674023769.db2.gz DAIQVWLAJJSIBC-UHFFFAOYSA-N 0 0 195.306 2.649 10 0 AFAERN CC(C)(C)C(=O)NCCCCC1CC1 716344464 674023976 /nfs/dbraw/zinc/02/39/76/674023976.db2.gz QYUVKWNFLUGWGH-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN Cc1coc(-c2ccc(C=O)o2)c1 716219300 674024141 /nfs/dbraw/zinc/02/41/41/674024141.db2.gz NYZRACACXJQBCC-UHFFFAOYSA-N 0 0 176.171 2.661 10 0 AFAERN CCCOC(=O)NCCCCC1CC1 716343454 674024294 /nfs/dbraw/zinc/02/42/94/674024294.db2.gz JQOGNFXAHGAHKP-UHFFFAOYSA-N 0 0 199.294 2.703 10 0 AFAERN Cc1ccc(-c2cn[nH]c2)cc1F 148052435 1169242215 /nfs/dbraw/zinc/24/22/15/1169242215.db2.gz FECNPFNZYWRKBG-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN CC(C)OC(=O)NCCCCC1CC1 716370948 674024785 /nfs/dbraw/zinc/02/47/85/674024785.db2.gz UFQGHQWTEWWNHD-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CC(C)Oc1cc(F)c(F)cc1F 148682553 1169243008 /nfs/dbraw/zinc/24/30/08/1169243008.db2.gz DQYPCTWHQAVRMS-UHFFFAOYSA-N 0 0 190.164 2.891 10 0 AFAERN Cc1ccc(Nc2ccccn2)c(N)c1 148533879 1169243036 /nfs/dbraw/zinc/24/30/36/1169243036.db2.gz SPPMBEWNMBAFMT-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CCCC(=O)[C@H](CCC)OCC 148440340 1169243116 /nfs/dbraw/zinc/24/31/16/1169243116.db2.gz YJDWSHBALCKNIT-JTQLQIEISA-N 0 0 172.268 2.561 10 0 AFAERN CCCO[C@@H](C(C)=O)c1ccccc1 148231422 1169243471 /nfs/dbraw/zinc/24/34/71/1169243471.db2.gz BJIKMVIEPQHNCD-LBPRGKRZSA-N 0 0 192.258 2.743 10 0 AFAERN CCCO[C@H](CCC)C(=O)CCC 148488505 1169243532 /nfs/dbraw/zinc/24/35/32/1169243532.db2.gz XMKSLZCQSLGLCJ-LLVKDONJSA-N 0 0 186.295 2.951 10 0 AFAERN Cc1cccc(C)c1-c1ncccc1N 148503019 1169243722 /nfs/dbraw/zinc/24/37/22/1169243722.db2.gz FJQSWQNSYYNJHL-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(C)CCc1ccc(CO)cc1 148286033 1169243874 /nfs/dbraw/zinc/24/38/74/1169243874.db2.gz OYIHJUKYTPOGOV-UHFFFAOYSA-N 0 0 178.275 2.768 10 0 AFAERN Cc1ccc(N)c(-c2ccccc2N)c1 148261897 1169244040 /nfs/dbraw/zinc/24/40/40/1169244040.db2.gz VXMSRYDBBFXARH-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN c1cnc2ccc(OC3CC3)cc2c1 148503033 1169244324 /nfs/dbraw/zinc/24/43/24/1169244324.db2.gz AOHFNZWZFVRXPX-UHFFFAOYSA-N 0 0 185.226 2.776 10 0 AFAERN O=C(CCCC1CC1)O[C@@H]1C=CCC1 813081790 674028251 /nfs/dbraw/zinc/02/82/51/674028251.db2.gz QQNVXLVTFAOPSJ-LLVKDONJSA-N 0 0 194.274 2.829 10 0 AFAERN CC/C=C\COC(=O)[C@@H]1C[C@H]1CCC 813062658 674028253 /nfs/dbraw/zinc/02/82/53/674028253.db2.gz FWNSTRKSTQPQQV-ADRPCIBZSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)Oc1cc(F)c(F)c(F)c1 148683460 1169244631 /nfs/dbraw/zinc/24/46/31/1169244631.db2.gz LEICBVJGDZVOOV-UHFFFAOYSA-N 0 0 190.164 2.891 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)CCCC1CC1 813065021 674028256 /nfs/dbraw/zinc/02/82/56/674028256.db2.gz UKEWXYVYSVYMFA-MWLCHTKSSA-N 0 0 196.290 2.766 10 0 AFAERN C/C=C/[C@@]1(O)C=C[C@H](C(C)C)CC1 757057006 674027181 /nfs/dbraw/zinc/02/71/81/674027181.db2.gz OKHGDODRIPQYRB-BLWPOKMGSA-N 0 0 180.291 2.916 10 0 AFAERN CC/C=C/COC(=O)[C@@H]1C[C@H]1CCC 813062662 674028260 /nfs/dbraw/zinc/02/82/60/674028260.db2.gz FWNSTRKSTQPQQV-XIJCSBCJSA-N 0 0 196.290 2.932 10 0 AFAERN C/C=C/[C@@]1(O)C=C[C@@H](C(C)C)CC1 757057007 674027497 /nfs/dbraw/zinc/02/74/97/674027497.db2.gz OKHGDODRIPQYRB-KSOFABFVSA-N 0 0 180.291 2.916 10 0 AFAERN C/C=C/[C@@]1(O)C=C[C@H](CC)CC1 757057002 674027416 /nfs/dbraw/zinc/02/74/16/674027416.db2.gz HFSYHGMYBLBGSF-RYBICEQDSA-N 0 0 166.264 2.670 10 0 AFAERN CC(C)c1ccc(F)cc1C#N 148304540 1169244849 /nfs/dbraw/zinc/24/48/49/1169244849.db2.gz BRIKUPJQMYUYNA-UHFFFAOYSA-N 0 0 163.195 2.821 10 0 AFAERN C/C=C/[C@@]1(O)C=C[C@@H](CC)CC1 757057003 674027441 /nfs/dbraw/zinc/02/74/41/674027441.db2.gz HFSYHGMYBLBGSF-XEQKKNTQSA-N 0 0 166.264 2.670 10 0 AFAERN C[C@H]1C[C@@H]1COC(=O)CCCC1CC1 813065019 674028264 /nfs/dbraw/zinc/02/82/64/674028264.db2.gz UKEWXYVYSVYMFA-GXSJLCMTSA-N 0 0 196.290 2.766 10 0 AFAERN CCC[C@@H]1C[C@H]1C(=O)OC[C@H]1C[C@H]1C 813064132 674028267 /nfs/dbraw/zinc/02/82/67/674028267.db2.gz KPIPYDVXAOZGOI-GWOFURMSSA-N 0 0 196.290 2.622 10 0 AFAERN COc1cc(F)cc(C(C)C)c1 148708606 1169245210 /nfs/dbraw/zinc/24/52/10/1169245210.db2.gz WMGNXXBGCNZORH-UHFFFAOYSA-N 0 0 168.211 2.958 10 0 AFAERN Cc1c(N)cccc1-c1ccccc1N 148218697 1169245420 /nfs/dbraw/zinc/24/54/20/1169245420.db2.gz AKGQXUBOLINJLE-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN C[C@H](OC(=O)CCCC1CC1)C1CC1 813064280 674028276 /nfs/dbraw/zinc/02/82/76/674028276.db2.gz LPVZPGFURVJZRQ-VIFPVBQESA-N 0 0 196.290 2.908 10 0 AFAERN CCCO[C@H](C(C)=O)c1ccccc1 148231233 1169245569 /nfs/dbraw/zinc/24/55/69/1169245569.db2.gz BJIKMVIEPQHNCD-GFCCVEGCSA-N 0 0 192.258 2.743 10 0 AFAERN CCC[C@@H]1C[C@H]1C(=O)OC[C@@H]1C[C@@H]1C 813064134 674028279 /nfs/dbraw/zinc/02/82/79/674028279.db2.gz KPIPYDVXAOZGOI-ZRUFSTJUSA-N 0 0 196.290 2.622 10 0 AFAERN CCC[C@@H]1C[C@H]1C(=O)OC[C@H]1C[C@@H]1C 813064133 674028280 /nfs/dbraw/zinc/02/82/80/674028280.db2.gz KPIPYDVXAOZGOI-LNFKQOIKSA-N 0 0 196.290 2.622 10 0 AFAERN CCC[C@@H]1C[C@H]1C(=O)O[C@@H](C)C1CC1 813063634 674028281 /nfs/dbraw/zinc/02/82/81/674028281.db2.gz AJWHIPUDYUIMIX-JMJZKYOTSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@H]1C[C@H]1COC(=O)CCCC1CC1 813065022 674028282 /nfs/dbraw/zinc/02/82/82/674028282.db2.gz UKEWXYVYSVYMFA-ONGXEEELSA-N 0 0 196.290 2.766 10 0 AFAERN O=C(CCCC1CC1)O[C@H]1C=CCC1 813081791 674028284 /nfs/dbraw/zinc/02/82/84/674028284.db2.gz QQNVXLVTFAOPSJ-NSHDSACASA-N 0 0 194.274 2.829 10 0 AFAERN CCCC(=O)[C@@H](CCC)OCC 148440523 1169245740 /nfs/dbraw/zinc/24/57/40/1169245740.db2.gz YJDWSHBALCKNIT-SNVBAGLBSA-N 0 0 172.268 2.561 10 0 AFAERN CCC[C@@H]1C[C@H]1C(=O)OC[C@@H]1C[C@H]1C 813064131 674028187 /nfs/dbraw/zinc/02/81/87/674028187.db2.gz KPIPYDVXAOZGOI-CHWFTXMASA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)CCCC1CC1 813065020 674028225 /nfs/dbraw/zinc/02/82/25/674028225.db2.gz UKEWXYVYSVYMFA-KOLCDFICSA-N 0 0 196.290 2.766 10 0 AFAERN CCCO[C@@H](CCC)C(=O)CCC 148488354 1169245959 /nfs/dbraw/zinc/24/59/59/1169245959.db2.gz XMKSLZCQSLGLCJ-NSHDSACASA-N 0 0 186.295 2.951 10 0 AFAERN Fc1ccccc1-c1cncs1 148367723 1169246005 /nfs/dbraw/zinc/24/60/05/1169246005.db2.gz GKLUNIGYNWIASS-UHFFFAOYSA-N 0 0 179.219 2.949 10 0 AFAERN CNc1ccccc1-c1cccnc1 149130269 1169246282 /nfs/dbraw/zinc/24/62/82/1169246282.db2.gz CPKMTILPRNVKCP-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN Cc1ccc(-c2ccccn2)c(O)c1 148953955 1169246395 /nfs/dbraw/zinc/24/63/95/1169246395.db2.gz BBPDKHDULLZPSO-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccc(-c2cccc(N)c2)c(N)c1 149106395 1169246426 /nfs/dbraw/zinc/24/64/26/1169246426.db2.gz LYWYPBSOZXLGFR-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN C=CCc1cnc(Cl)c(F)c1 149069897 1169246436 /nfs/dbraw/zinc/24/64/36/1169246436.db2.gz YMKSJKFDANVWDD-UHFFFAOYSA-N 0 0 171.602 2.603 10 0 AFAERN CCc1ccc2c(c1)CCCO2 149105182 1169248075 /nfs/dbraw/zinc/24/80/75/1169248075.db2.gz GKFBXIJHHNDCAH-UHFFFAOYSA-N 0 0 162.232 2.574 10 0 AFAERN Cc1ccc(-c2ccccc2N)c(N)c1 149150159 1169246510 /nfs/dbraw/zinc/24/65/10/1169246510.db2.gz MLWLJLUYTGQLCP-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN COc1ncc(CC(C)(C)C)cc1F 149116866 1169246586 /nfs/dbraw/zinc/24/65/86/1169246586.db2.gz GLLHWIKWUUVQTM-UHFFFAOYSA-N 0 0 197.253 2.818 10 0 AFAERN CNc1cccc(-c2ccncc2)c1 149079712 1169246875 /nfs/dbraw/zinc/24/68/75/1169246875.db2.gz NCHVJPJHDVXNKY-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN CNc1ccccc1-c1ccncc1 149153398 1169246899 /nfs/dbraw/zinc/24/68/99/1169246899.db2.gz MSSPOBMOXMPFCR-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN COc1cncc(CC(C)(C)C)c1 149114341 1169247928 /nfs/dbraw/zinc/24/79/28/1169247928.db2.gz MUXZNEBYLABOFE-UHFFFAOYSA-N 0 0 179.263 2.679 10 0 AFAERN COc1cc(CC(C)(C)C)ccc1O 149066820 1169248083 /nfs/dbraw/zinc/24/80/83/1169248083.db2.gz OEGQKBZOFLRUAN-UHFFFAOYSA-N 0 0 194.274 2.989 10 0 AFAERN Cc1cc(N)ccc1-c1cccc(N)c1 149021664 1169248161 /nfs/dbraw/zinc/24/81/61/1169248161.db2.gz LCRCCLKESRJGQT-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CC(C)=C(C)CC(=O)N[C@H]1C=CCC1 824438612 674030520 /nfs/dbraw/zinc/03/05/20/674030520.db2.gz VYBZIRSJVWJALO-NSHDSACASA-N 0 0 193.290 2.568 10 0 AFAERN CCc1ccc(C2CC2)nc1 149016483 1169248463 /nfs/dbraw/zinc/24/84/63/1169248463.db2.gz ZVCXREWFLKATQW-UHFFFAOYSA-N 0 0 147.221 2.521 10 0 AFAERN C[C@@]1(F)CCCN(Cc2ccoc2)C1 824472361 674030639 /nfs/dbraw/zinc/03/06/39/674030639.db2.gz QZNVIKSEEAMEOD-LLVKDONJSA-N 0 0 197.253 2.604 10 0 AFAERN C[C@]1(F)CCCN(Cc2ccoc2)C1 824472363 674030687 /nfs/dbraw/zinc/03/06/87/674030687.db2.gz QZNVIKSEEAMEOD-NSHDSACASA-N 0 0 197.253 2.604 10 0 AFAERN CC(C)=C(C)CC(=O)N[C@@H]1C=CCC1 824438611 674030710 /nfs/dbraw/zinc/03/07/10/674030710.db2.gz VYBZIRSJVWJALO-LLVKDONJSA-N 0 0 193.290 2.568 10 0 AFAERN Nc1c(Cl)cccc1C1CC1 148835767 1169248687 /nfs/dbraw/zinc/24/86/87/1169248687.db2.gz NFZOUGQVVGCZOP-UHFFFAOYSA-N 0 0 167.639 2.800 10 0 AFAERN C#CCc1ccccc1C(C)C 149136813 1169248992 /nfs/dbraw/zinc/24/89/92/1169248992.db2.gz ZLGCSGFYJUWJFL-UHFFFAOYSA-N 0 0 158.244 2.986 10 0 AFAERN CCCc1ccc(COC)cc1 148969843 1169249369 /nfs/dbraw/zinc/24/93/69/1169249369.db2.gz VJWXYMJXQHYTHP-UHFFFAOYSA-N 0 0 164.248 2.786 10 0 AFAERN C=Cc1cccc(NC(=O)C(C)C)c1 149010315 1169249498 /nfs/dbraw/zinc/24/94/98/1169249498.db2.gz LHFAVWDJYVSOKO-UHFFFAOYSA-N 0 0 189.258 2.924 10 0 AFAERN CCc1cnc(Cl)cc1C 149026172 1169249693 /nfs/dbraw/zinc/24/96/93/1169249693.db2.gz ALPJAHIBQZZVIW-UHFFFAOYSA-N 0 0 155.628 2.606 10 0 AFAERN Cc1ccncc1-c1cccc(CO)c1 149825937 1169250033 /nfs/dbraw/zinc/25/00/33/1169250033.db2.gz SFWRXHPCKXHJEV-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN C#CCc1ccccc1SC 149776624 1169250142 /nfs/dbraw/zinc/25/01/42/1169250142.db2.gz VSCNWPFWHVQRIY-UHFFFAOYSA-N 0 0 162.257 2.584 10 0 AFAERN C=Cc1ccc2c(n1)CCCC2 149933825 1169250170 /nfs/dbraw/zinc/25/01/70/1169250170.db2.gz JKXWQODMLGYNLI-UHFFFAOYSA-N 0 0 159.232 2.603 10 0 AFAERN CSC[C@]1(C)CC1(Cl)Cl 829077283 674032175 /nfs/dbraw/zinc/03/21/75/674032175.db2.gz HETNWIWUDVRILT-YFKPBYRVSA-N 0 0 185.119 2.933 10 0 AFAERN Cc1cccc(-c2ccnc(C)n2)c1 149673245 1169250227 /nfs/dbraw/zinc/25/02/27/1169250227.db2.gz HWYVERPWMLYGJM-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN N#Cc1ccc(CC2CCC2)cc1 149555795 1169250318 /nfs/dbraw/zinc/25/03/18/1169250318.db2.gz BXEDMSIFIHKYGP-UHFFFAOYSA-N 0 0 171.243 2.901 10 0 AFAERN Cc1cc(-c2ccccc2N)ccc1N 149675808 1169250330 /nfs/dbraw/zinc/25/03/30/1169250330.db2.gz NIDYJDHTXWGWRE-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN Cc1ncccc1Nc1ccccc1N 149595843 1169250375 /nfs/dbraw/zinc/25/03/75/1169250375.db2.gz SZDLGRJOUFONMZ-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CSC[C@@]1(C)CC1(Cl)Cl 829077278 674032351 /nfs/dbraw/zinc/03/23/51/674032351.db2.gz HETNWIWUDVRILT-RXMQYKEDSA-N 0 0 185.119 2.933 10 0 AFAERN C=Cc1ccc2oc(C)nc2c1 149741364 1169250808 /nfs/dbraw/zinc/25/08/08/1169250808.db2.gz IJPDHLUKPVGNGA-UHFFFAOYSA-N 0 0 159.188 2.779 10 0 AFAERN CC(C)(C)Cc1ccoc1 149527743 1169250891 /nfs/dbraw/zinc/25/08/91/1169250891.db2.gz NYRMXYPHSFKSKQ-UHFFFAOYSA-N 0 0 138.210 2.868 10 0 AFAERN CNc1cccc(-c2cccnc2)c1 149745889 1169250956 /nfs/dbraw/zinc/25/09/56/1169250956.db2.gz PSBDROIMFUOODT-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN Cn1c(C2CCC2)nc2ccccc21 149383792 1169251331 /nfs/dbraw/zinc/25/13/31/1169251331.db2.gz URXFUPHGMKBXLH-UHFFFAOYSA-N 0 0 186.258 2.841 10 0 AFAERN CNc1cccc(-c2ccc(N)cc2)c1 149477888 1169251490 /nfs/dbraw/zinc/25/14/90/1169251490.db2.gz BSCZFPCQHMCABR-UHFFFAOYSA-N 0 0 198.269 2.978 10 0 AFAERN CNc1c(C)cc(Cl)cc1C 149941112 1169251501 /nfs/dbraw/zinc/25/15/01/1169251501.db2.gz DCKBNSOWCAMGOM-UHFFFAOYSA-N 0 0 169.655 2.999 10 0 AFAERN Cc1cncc(-c2cccc(C)n2)c1 149556498 1169251653 /nfs/dbraw/zinc/25/16/53/1169251653.db2.gz ZKQXYKPLEVGELK-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CCC(=O)OC[C@@H](C)c1ccccc1 2572260 674033664 /nfs/dbraw/zinc/03/36/64/674033664.db2.gz LYKBHIHIBJGTTD-SNVBAGLBSA-N 0 0 192.258 2.743 10 0 AFAERN Cc1ccc(-c2ccc(N)cc2)c(N)c1 149954864 1169252198 /nfs/dbraw/zinc/25/21/98/1169252198.db2.gz COAZCHFAZVLCGW-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN Cc1cc(N)ccc1-c1ccccc1N 149612023 1169252622 /nfs/dbraw/zinc/25/26/22/1169252622.db2.gz IJNJZEYNRRKAEP-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CC[C@H](C)c1ccc(N)c(OC)c1 150321554 1169257224 /nfs/dbraw/zinc/25/72/24/1169257224.db2.gz FTZDBRQPXFYWHZ-QMMMGPOBSA-N 0 0 179.263 2.791 10 0 AFAERN Cc1ccccc1-c1ncccc1C#N 149465225 1169252927 /nfs/dbraw/zinc/25/29/27/1169252927.db2.gz KOFDUAUIUFLNPZ-UHFFFAOYSA-N 0 0 194.237 2.929 10 0 AFAERN COc1ccc(C(C)(F)F)cc1 149439409 1169252994 /nfs/dbraw/zinc/25/29/94/1169252994.db2.gz SFJIJFYKWOOUBR-UHFFFAOYSA-N 0 0 172.174 2.807 10 0 AFAERN CC(C)c1cc(Cl)cc(CO)c1 149499090 1169253366 /nfs/dbraw/zinc/25/33/66/1169253366.db2.gz UKYYDWIXKALQHB-UHFFFAOYSA-N 0 0 184.666 2.956 10 0 AFAERN Cc1ccc(-c2ccc(N)cc2)cc1N 149850362 1169253764 /nfs/dbraw/zinc/25/37/64/1169253764.db2.gz OMDYZZPPDGIDJG-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CC(C)N(CC(F)(F)F)C(C)C 150259414 1169254165 /nfs/dbraw/zinc/25/41/65/1169254165.db2.gz SDZCWRDTTMLDRR-UHFFFAOYSA-N 0 0 183.217 2.668 10 0 AFAERN CC(C)Cc1ccc(N(C)C)cc1 150144211 1169254497 /nfs/dbraw/zinc/25/44/97/1169254497.db2.gz BOQMIPZHNPLGME-UHFFFAOYSA-N 0 0 177.291 2.951 10 0 AFAERN CC(C)COC(=O)NC1CCCCC1 156828954 1169254698 /nfs/dbraw/zinc/25/46/98/1169254698.db2.gz FCYDEXVOKLZLPO-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@@H](C)c1ccc(N)c(OC)c1 150321367 1169254744 /nfs/dbraw/zinc/25/47/44/1169254744.db2.gz FTZDBRQPXFYWHZ-MRVPVSSYSA-N 0 0 179.263 2.791 10 0 AFAERN COc1ccc(OC(C)C)cc1F 150303087 1169254782 /nfs/dbraw/zinc/25/47/82/1169254782.db2.gz NMVCKNMPMIBYRJ-UHFFFAOYSA-N 0 0 184.210 2.622 10 0 AFAERN Cc1cc(O)ccc1Cc1ccncc1 156775419 1169254790 /nfs/dbraw/zinc/25/47/90/1169254790.db2.gz VEOVUVBQBOADJK-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN Cc1ccc(-c2cccc(N)c2)cc1N 150022629 1169254941 /nfs/dbraw/zinc/25/49/41/1169254941.db2.gz ZIWLJSVJQZDMBK-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CCc1cccc(-c2nccs2)n1 150227399 1169254964 /nfs/dbraw/zinc/25/49/64/1169254964.db2.gz UJUIELLRWGZXNA-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN Nc1ccc(F)c(-c2nccs2)c1 149991042 1169254972 /nfs/dbraw/zinc/25/49/72/1169254972.db2.gz SRCBQMOGWNJDME-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN COc1ccc(CC(C)(C)C)cc1N 150013153 1169255043 /nfs/dbraw/zinc/25/50/43/1169255043.db2.gz XENRCVSJEOAAMC-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN Cc1cc(O)ccc1Cc1ccccn1 156770755 1169255180 /nfs/dbraw/zinc/25/51/80/1169255180.db2.gz DMXHMVCEQHIMFC-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN Cc1cc(Cc2ccncc2)ccc1O 156774986 1169256167 /nfs/dbraw/zinc/25/61/67/1169256167.db2.gz FZSQHHTXMTYYQR-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN CC(C)COC(=O)N1CCCCCC1 156827407 1169256219 /nfs/dbraw/zinc/25/62/19/1169256219.db2.gz ZGCPOYZNFUZSRS-UHFFFAOYSA-N 0 0 199.294 2.655 10 0 AFAERN Cc1cc(Cc2ccccn2)ccc1O 156770322 1169256452 /nfs/dbraw/zinc/25/64/52/1169256452.db2.gz FZYKMWXDBDITGZ-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN Cc1c(N)cccc1-c1ccc(N)cc1 150231912 1169256853 /nfs/dbraw/zinc/25/68/53/1169256853.db2.gz IKTJLJNAJTYVSE-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN Cc1ccc(O)c(Cc2ccncc2)c1 156774697 1169256986 /nfs/dbraw/zinc/25/69/86/1169256986.db2.gz CJVRCCVMWLDRTG-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN Cc1ccc(O)c(Cc2ccccn2)c1 156770020 1169257775 /nfs/dbraw/zinc/25/77/75/1169257775.db2.gz XXVUTRGTARVSIF-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN COc1cc(CC(C)(C)C)ccc1N 150013597 1169257796 /nfs/dbraw/zinc/25/77/96/1169257796.db2.gz YWXFLYPMAAEBPV-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN Cc1ccc(Cc2cccnc2)c(N)c1 157219786 1169258146 /nfs/dbraw/zinc/25/81/46/1169258146.db2.gz HUENNAPPXGERFX-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Cc1ccc(Cc2cccnc2)cc1N 157220590 1169258377 /nfs/dbraw/zinc/25/83/77/1169258377.db2.gz XWNZTWHZWKYDBI-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Cc1cc(O)ccc1Cc1cccnc1 157317692 1169258665 /nfs/dbraw/zinc/25/86/65/1169258665.db2.gz NVHICDXRMDEECM-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN Cc1ccc(O)c(Cc2cccnc2)c1 157319446 1169258832 /nfs/dbraw/zinc/25/88/32/1169258832.db2.gz VCNZQZZJRFWMLI-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN CCCOC(=O)N1CC(C(C)(C)C)C1 859185759 674040178 /nfs/dbraw/zinc/04/01/78/674040178.db2.gz PYIUMJJKRXQQNL-UHFFFAOYSA-N 0 0 199.294 2.511 10 0 AFAERN CC(C)CCOC(=O)N1[C@H](C)C[C@H]1C 859141137 674040188 /nfs/dbraw/zinc/04/01/88/674040188.db2.gz CLWWGSUTILLQJI-NXEZZACHSA-N 0 0 199.294 2.652 10 0 AFAERN CC(C)CCOC(=O)N1[C@@H](C)C[C@H]1C 859141136 674040241 /nfs/dbraw/zinc/04/02/41/674040241.db2.gz CLWWGSUTILLQJI-AOOOYVTPSA-N 0 0 199.294 2.652 10 0 AFAERN CC(C)CCOC(=O)N1[C@@H](C)C[C@@H]1C 859141138 674040300 /nfs/dbraw/zinc/04/03/00/674040300.db2.gz CLWWGSUTILLQJI-UWVGGRQHSA-N 0 0 199.294 2.652 10 0 AFAERN CC(C)/C=C\C(=O)OCCC(C)C 200704381 674040333 /nfs/dbraw/zinc/04/03/33/674040333.db2.gz CPDZHTLUFXUAKD-WAYWQWQTSA-N 0 0 184.279 2.788 10 0 AFAERN Cc1cc(N)ccc1Cc1cccnc1 157220428 1169259315 /nfs/dbraw/zinc/25/93/15/1169259315.db2.gz XYSDYVVCHUNVAN-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN C/C=C\CNC(=O)/C(C)=C\C(C)(C)C 863115423 674041509 /nfs/dbraw/zinc/04/15/09/674041509.db2.gz NWKVYVYUISXKBR-HZJYTTRNSA-N 0 0 195.306 2.671 10 0 AFAERN C/C=C/CNC(=O)/C(C)=C\C(C)(C)C 863115425 674041565 /nfs/dbraw/zinc/04/15/65/674041565.db2.gz NWKVYVYUISXKBR-KQHSAVHASA-N 0 0 195.306 2.671 10 0 AFAERN C/C=C\CNC(=O)/C(C)=C/C(C)(C)C 863115424 674041592 /nfs/dbraw/zinc/04/15/92/674041592.db2.gz NWKVYVYUISXKBR-IXWMQOLASA-N 0 0 195.306 2.671 10 0 AFAERN C/C=C/CNC(=O)/C(C)=C/C(C)(C)C 863115422 674041602 /nfs/dbraw/zinc/04/16/02/674041602.db2.gz NWKVYVYUISXKBR-AVQMFFATSA-N 0 0 195.306 2.671 10 0 AFAERN Cc1ccc(N[C@@H](C)C(C)(C)C)nn1 162845744 1169265835 /nfs/dbraw/zinc/26/58/35/1169265835.db2.gz OVBQCMPOEDAHJE-VIFPVBQESA-N 0 0 193.294 2.632 10 0 AFAERN C[C@H](Nc1cncc(N)c1)C(C)(C)C 162949025 1169268013 /nfs/dbraw/zinc/26/80/13/1169268013.db2.gz YWIFDHTXKHQGGU-QMMMGPOBSA-N 0 0 193.294 2.510 10 0 AFAERN CC(C)COc1c(F)cccc1C=O 159491845 1169261158 /nfs/dbraw/zinc/26/11/58/1169261158.db2.gz ANBTURGHIGPGAM-UHFFFAOYSA-N 0 0 196.221 2.673 10 0 AFAERN CC(C)OC(=O)N(C)CC(C)(C)C 127215117 674043397 /nfs/dbraw/zinc/04/33/97/674043397.db2.gz OZTZSIDWHWXFCC-UHFFFAOYSA-N 0 0 187.283 2.509 10 0 AFAERN C[C@@H](Nc1cccc(F)n1)C1(C)CC1 162455029 1169263654 /nfs/dbraw/zinc/26/36/54/1169263654.db2.gz ZGERBWVMJCKASZ-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN C[C@H](Nc1ccc(N)cn1)C(C)(C)C 162646126 1169264661 /nfs/dbraw/zinc/26/46/61/1169264661.db2.gz KJMWLADYGUKXGI-QMMMGPOBSA-N 0 0 193.294 2.510 10 0 AFAERN C[C@H](Nc1ncccc1N)C(C)(C)C 162646390 1169264818 /nfs/dbraw/zinc/26/48/18/1169264818.db2.gz AASWFMLMUAFQQB-QMMMGPOBSA-N 0 0 193.294 2.510 10 0 AFAERN C[C@H](Nc1ccc(N)nc1)C(C)(C)C 162645858 1169266534 /nfs/dbraw/zinc/26/65/34/1169266534.db2.gz SAHKMQGOXYJXJF-QMMMGPOBSA-N 0 0 193.294 2.510 10 0 AFAERN C[C@H](Nc1cccc(F)n1)C1(C)CC1 162454911 1169266636 /nfs/dbraw/zinc/26/66/36/1169266636.db2.gz ZGERBWVMJCKASZ-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN CCCOc1cc(Cl)ccc1C=O 163062358 1169267625 /nfs/dbraw/zinc/26/76/25/1169267625.db2.gz RKIYOTIYRDFZLH-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CCC(=O)COC1CCC(C)(C)CC1 163231553 1169268074 /nfs/dbraw/zinc/26/80/74/1169268074.db2.gz FMHLSKXGFCPLSX-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN c1cncc(OC2CCCCC2)c1 163008606 1169268401 /nfs/dbraw/zinc/26/84/01/1169268401.db2.gz VSCPQBFWOXMODM-UHFFFAOYSA-N 0 0 177.247 2.793 10 0 AFAERN CC[C@@H](C)COC1CCC(=O)CC1 164153372 1169269375 /nfs/dbraw/zinc/26/93/75/1169269375.db2.gz DYUIQYWYKSUGTE-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)Cc1cc(F)ccc1C 163874765 1169269596 /nfs/dbraw/zinc/26/95/96/1169269596.db2.gz DRFGDFNSOMOJHN-UHFFFAOYSA-N 0 0 180.222 2.656 10 0 AFAERN COc1cc(CCC(C)C)ccc1O 164296079 1169269687 /nfs/dbraw/zinc/26/96/87/1169269687.db2.gz XLZAXVMGYLTRER-UHFFFAOYSA-N 0 0 194.274 2.989 10 0 AFAERN c1ccc(OC2CCSCC2)cc1 163909357 1169270679 /nfs/dbraw/zinc/27/06/79/1169270679.db2.gz YOAZMAZJXONPKS-UHFFFAOYSA-N 0 0 194.299 2.961 10 0 AFAERN C=Cc1ccc2cc(OC)ccc2n1 164097434 1169271291 /nfs/dbraw/zinc/27/12/91/1169271291.db2.gz KNEKCGWBEAFRCP-UHFFFAOYSA-N 0 0 185.226 2.886 10 0 AFAERN CCN(CC(C)C)C(=O)OC(C)C 126960540 674052304 /nfs/dbraw/zinc/05/23/04/674052304.db2.gz VJFMGOUTASITPX-UHFFFAOYSA-N 0 0 187.283 2.509 10 0 AFAERN CC[C@H](C)COC1CCC(=O)CC1 164153486 1169272205 /nfs/dbraw/zinc/27/22/05/1169272205.db2.gz DYUIQYWYKSUGTE-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)(C)CCOC1CCC(=O)CC1 164161598 1169272236 /nfs/dbraw/zinc/27/22/36/1169272236.db2.gz NIVWFSMTZSFGQI-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1noc2ccc(CCC#N)cc12 163869179 1169272501 /nfs/dbraw/zinc/27/25/01/1169272501.db2.gz GPBQHNABVHQOEP-UHFFFAOYSA-N 0 0 186.214 2.592 10 0 AFAERN N#Cc1ccccc1-c1cncs1 165840024 1169274176 /nfs/dbraw/zinc/27/41/76/1169274176.db2.gz OBEYMYSRSRROJP-UHFFFAOYSA-N 0 0 186.239 2.682 10 0 AFAERN C/C=C(/C=C/C(=O)N1CCCC1)CC 38973913 674055608 /nfs/dbraw/zinc/05/56/08/674055608.db2.gz GSQJUNVZVNNWOC-ZMSWCZRLSA-N 0 0 193.290 2.521 10 0 AFAERN OCc1ccc(C2CCCC2)cc1F 165774058 1169275200 /nfs/dbraw/zinc/27/52/00/1169275200.db2.gz RPQBZGNBKPGREX-UHFFFAOYSA-N 0 0 194.249 2.976 10 0 AFAERN Cc1ccc(-c2ccccc2N)cc1N 165818205 1169275213 /nfs/dbraw/zinc/27/52/13/1169275213.db2.gz DIXVHRRYBGVGFE-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN N#Cc1c(F)cccc1-c1ccoc1 165572008 1169275501 /nfs/dbraw/zinc/27/55/01/1169275501.db2.gz HNURMUOXCLRLOJ-UHFFFAOYSA-N 0 0 187.173 2.957 10 0 AFAERN CCc1cccc(-c2cccnc2)n1 165359503 1169275641 /nfs/dbraw/zinc/27/56/41/1169275641.db2.gz MPEINHCMKIWTGM-UHFFFAOYSA-N 0 0 184.242 2.706 10 0 AFAERN Cc1ccc(-c2ncccn2)cc1F 165967663 1169275978 /nfs/dbraw/zinc/27/59/78/1169275978.db2.gz XTYUEEUPHPNWES-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CCc1ccc(Cl)cc1OC 165896761 1169276313 /nfs/dbraw/zinc/27/63/13/1169276313.db2.gz ZKRKCFCYQSUABY-UHFFFAOYSA-N 0 0 170.639 2.911 10 0 AFAERN C1=CCCC(Nc2ccccn2)CC1 718018124 674057889 /nfs/dbraw/zinc/05/78/89/674057889.db2.gz HOEVYBOSUUAUTP-UHFFFAOYSA-N 0 0 188.274 2.992 10 0 AFAERN CC(C)(C)C(=O)NC1CCC=CCC1 718038536 674058009 /nfs/dbraw/zinc/05/80/09/674058009.db2.gz BKKISNRSCUFTKJ-UHFFFAOYSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)OC(=O)NC1CCC=CCC1 718042886 674058013 /nfs/dbraw/zinc/05/80/13/674058013.db2.gz NCJUXIHLKMZGNF-UHFFFAOYSA-N 0 0 197.278 2.620 10 0 AFAERN CC(C)=CC(=O)NC1CCC=CCC1 718030861 674058205 /nfs/dbraw/zinc/05/82/05/674058205.db2.gz WYUNWCZTENZWME-UHFFFAOYSA-N 0 0 193.290 2.568 10 0 AFAERN CCc1cccc(-c2ccncc2N)c1 166772204 1169277449 /nfs/dbraw/zinc/27/74/49/1169277449.db2.gz ZMKLLCWVSDSWRW-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1cc(O)ccc1-c1ccc(N)cc1 166525219 1169277651 /nfs/dbraw/zinc/27/76/51/1169277651.db2.gz MVXGAHDINHTPAU-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN Cc1ccc(C)c(-c2ccncc2N)c1 166765039 1169278214 /nfs/dbraw/zinc/27/82/14/1169278214.db2.gz GQDXIHKAPXLKPP-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCCc1ccc(O)cc1OC 166681631 1169278670 /nfs/dbraw/zinc/27/86/70/1169278670.db2.gz GCFGEMPDTOHZJS-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN c1cc(-c2cnccn2)c2cc[nH]c2c1 166905558 1169279080 /nfs/dbraw/zinc/27/90/80/1169279080.db2.gz OKTNKFJTSMJNNX-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC(C)Cc1ccc(F)c(O)c1 166977267 1169279809 /nfs/dbraw/zinc/27/98/09/1169279809.db2.gz OCBWYZUSRLCXLA-UHFFFAOYSA-N 0 0 168.211 2.730 10 0 AFAERN CC(C)NC(=O)[C@@H]1CCC=CCCC1 719065712 674064740 /nfs/dbraw/zinc/06/47/40/674064740.db2.gz PLHCHUAVTBGALD-LLVKDONJSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)C(C)(C)CSC[C@H](C)O 718457954 674062119 /nfs/dbraw/zinc/06/21/19/674062119.db2.gz IIDQWMOSIFPCMJ-VIFPVBQESA-N 0 0 190.352 2.783 10 0 AFAERN CC(C)C(C)(C)CSC[C@@H](C)O 718457941 674062131 /nfs/dbraw/zinc/06/21/31/674062131.db2.gz IIDQWMOSIFPCMJ-SECBINFHSA-N 0 0 190.352 2.783 10 0 AFAERN Cc1nccn1CCCC(C)(F)F 718706369 674062917 /nfs/dbraw/zinc/06/29/17/674062917.db2.gz TZZHWYRDGHCFMY-UHFFFAOYSA-N 0 0 188.221 2.627 10 0 AFAERN CC(F)(F)CCCSCCCO 718659863 674062926 /nfs/dbraw/zinc/06/29/26/674062926.db2.gz CXRMALWMYOFDHD-UHFFFAOYSA-N 0 0 198.278 2.537 10 0 AFAERN C[C@@H](CO)SCCCC(C)(F)F 718660854 674063118 /nfs/dbraw/zinc/06/31/18/674063118.db2.gz IPIRORFLGXNWMT-ZETCQYMHSA-N 0 0 198.278 2.536 10 0 AFAERN c1cnc2nccc(NC3CCC3)c2c1 718932939 674063570 /nfs/dbraw/zinc/06/35/70/674063570.db2.gz JXOJXSDNTYFEPX-UHFFFAOYSA-N 0 0 199.257 2.594 10 0 AFAERN CCCNC(=O)[C@@H]1CCC=CCCC1 719063053 674064385 /nfs/dbraw/zinc/06/43/85/674064385.db2.gz FPSIRYAVGIWHGC-LLVKDONJSA-N 0 0 195.306 2.649 10 0 AFAERN CCCNC(=O)[C@H]1CCC=CCCC1 719063061 674064638 /nfs/dbraw/zinc/06/46/38/674064638.db2.gz FPSIRYAVGIWHGC-NSHDSACASA-N 0 0 195.306 2.649 10 0 AFAERN CC(C)NC(=O)[C@H]1CCC=CCCC1 719065713 674064708 /nfs/dbraw/zinc/06/47/08/674064708.db2.gz PLHCHUAVTBGALD-NSHDSACASA-N 0 0 195.306 2.648 10 0 AFAERN CCc1ccc2nc(C)oc2c1 167680883 1169284998 /nfs/dbraw/zinc/28/49/98/1169284998.db2.gz ZQLBHVLKTJMGRC-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCCc1cccc(C(C)(C)O)c1 167472769 1169285040 /nfs/dbraw/zinc/28/50/40/1169285040.db2.gz CCJWHVXOJZQSOP-UHFFFAOYSA-N 0 0 178.275 2.867 10 0 AFAERN CCC/C=C\COC(=O)C=C(C)C 38220667 674066686 /nfs/dbraw/zinc/06/66/86/674066686.db2.gz RZYWBFPOMNLVIR-SREVYHEPSA-N 0 0 182.263 2.852 10 0 AFAERN CC/C(C)=C\C(=O)NC1CCCCC1 38220911 674066765 /nfs/dbraw/zinc/06/67/65/674066765.db2.gz CHGXBRZWMDDDPZ-KTKRTIGZSA-N 0 0 195.306 2.792 10 0 AFAERN CC(C)c1cccc(C#N)c1F 167711976 1169285920 /nfs/dbraw/zinc/28/59/20/1169285920.db2.gz TWELAVBVGJALBG-UHFFFAOYSA-N 0 0 163.195 2.821 10 0 AFAERN Oc1ccc(O[C@@H]2C=CCCC2)cc1 167770319 1169285969 /nfs/dbraw/zinc/28/59/69/1169285969.db2.gz DHIUILSGRYLIMO-LLVKDONJSA-N 0 0 190.242 2.880 10 0 AFAERN CCc1ccc2onc(C)c2c1 167680462 1169286104 /nfs/dbraw/zinc/28/61/04/1169286104.db2.gz VKADRLWQUCKFBX-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCc1ccccc1OC[C@@H](C)OC 167613026 1169286980 /nfs/dbraw/zinc/28/69/80/1169286980.db2.gz CZFWMFJLIQUTCD-SNVBAGLBSA-N 0 0 194.274 2.663 10 0 AFAERN CC(C)=CC(=O)N(C)C1(C)CCCC1 720354443 674068187 /nfs/dbraw/zinc/06/81/87/674068187.db2.gz YLYPTKXYVJKZQU-UHFFFAOYSA-N 0 0 195.306 2.744 10 0 AFAERN Oc1ccc(O[C@H]2C=CCCC2)cc1 167770217 1169287830 /nfs/dbraw/zinc/28/78/30/1169287830.db2.gz DHIUILSGRYLIMO-NSHDSACASA-N 0 0 190.242 2.880 10 0 AFAERN CCCOC(=O)N(C)C1(C)CCCC1 720394569 674068904 /nfs/dbraw/zinc/06/89/04/674068904.db2.gz LUFLYIZFCAEJFW-UHFFFAOYSA-N 0 0 199.294 2.798 10 0 AFAERN CC[C@H](C)c1cccnc1C 167955983 1169288036 /nfs/dbraw/zinc/28/80/36/1169288036.db2.gz PBZXAOLPZNLHMK-QMMMGPOBSA-N 0 0 149.237 2.904 10 0 AFAERN CC(C)c1ccc(-c2nnco2)cc1 167945244 1169288075 /nfs/dbraw/zinc/28/80/75/1169288075.db2.gz IJSIASZENNQPSF-UHFFFAOYSA-N 0 0 188.230 2.860 10 0 AFAERN CC[C@@H](C)c1cccnc1C 167955874 1169288094 /nfs/dbraw/zinc/28/80/94/1169288094.db2.gz PBZXAOLPZNLHMK-MRVPVSSYSA-N 0 0 149.237 2.904 10 0 AFAERN Cc1ccc(-c2ncccn2)c(C)c1 168675896 1169288435 /nfs/dbraw/zinc/28/84/35/1169288435.db2.gz MMWFCSPVLRTJIM-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN COCc1ccc(OC(C)C)cc1 168949137 1169288673 /nfs/dbraw/zinc/28/86/73/1169288673.db2.gz FABBGBXKSRSTPY-UHFFFAOYSA-N 0 0 180.247 2.620 10 0 AFAERN CC[C@H](C)c1cc(O)ccc1OC 168595979 1169288896 /nfs/dbraw/zinc/28/88/96/1169288896.db2.gz LNGZSFRBZDKRJA-QMMMGPOBSA-N 0 0 180.247 2.914 10 0 AFAERN CC[C@@H](C)c1cc(O)ccc1OC 168595897 1169288913 /nfs/dbraw/zinc/28/89/13/1169288913.db2.gz LNGZSFRBZDKRJA-MRVPVSSYSA-N 0 0 180.247 2.914 10 0 AFAERN C/C(Cl)=C/C(=O)Nc1ccccc1 168958172 1169290901 /nfs/dbraw/zinc/29/09/01/1169290901.db2.gz WIBDSKKUNRWEJO-FPLPWBNLSA-N 0 0 195.649 2.768 10 0 AFAERN CCc1ccnc(C(F)(F)F)c1 168500343 1169291566 /nfs/dbraw/zinc/29/15/66/1169291566.db2.gz SNZNASFILKIGGM-UHFFFAOYSA-N 0 0 175.153 2.663 10 0 AFAERN CCCCc1cccnc1C 168739071 1169291678 /nfs/dbraw/zinc/29/16/78/1169291678.db2.gz IOJMHLWMBNKRRM-UHFFFAOYSA-N 0 0 149.237 2.733 10 0 AFAERN CCc1ccccc1-c1cn[nH]c1 169236549 1169293308 /nfs/dbraw/zinc/29/33/08/1169293308.db2.gz ZGNVFPUBZCBBED-UHFFFAOYSA-N 0 0 172.231 2.639 10 0 AFAERN CCC(CC)Oc1ccc(F)nc1 169212075 1169293370 /nfs/dbraw/zinc/29/33/70/1169293370.db2.gz UVWAUEVXNIFEJV-UHFFFAOYSA-N 0 0 183.226 2.788 10 0 AFAERN CC1(C)C[C@H]1C(=O)OC1CCCC1 306505770 674074035 /nfs/dbraw/zinc/07/40/35/674074035.db2.gz FUAYXHJMEGJOKU-VIFPVBQESA-N 0 0 182.263 2.518 10 0 AFAERN Oc1ccc(-c2ccc(F)nc2)cc1 169560465 1169293819 /nfs/dbraw/zinc/29/38/19/1169293819.db2.gz ZIALFDZCNWGFKL-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN c1n[nH]cc1CC1CCCCC1 196025669 1169294756 /nfs/dbraw/zinc/29/47/56/1169294756.db2.gz DAZJFDBNUDLGKN-UHFFFAOYSA-N 0 0 164.252 2.533 10 0 AFAERN CCCSCCCCCOC 196064096 1169294900 /nfs/dbraw/zinc/29/49/00/1169294900.db2.gz GCTZAUDYELFIOS-UHFFFAOYSA-N 0 0 176.325 2.946 10 0 AFAERN C[C@H]1C[C@@H]1COc1ccc(Cl)nc1 722846698 674080093 /nfs/dbraw/zinc/08/00/93/674080093.db2.gz KBVKCRSJFKVLJV-JGVFFNPUSA-N 0 0 197.665 2.770 10 0 AFAERN CC(C)(C)Cc1cccc(CO)c1 197965473 1169297228 /nfs/dbraw/zinc/29/72/28/1169297228.db2.gz HOLCJNTXHGTROL-UHFFFAOYSA-N 0 0 178.275 2.768 10 0 AFAERN CC(=O)OCc1ccc(C(C)(C)C)o1 198139685 1169297356 /nfs/dbraw/zinc/29/73/56/1169297356.db2.gz RMMAJNVFLSMGHN-UHFFFAOYSA-N 0 0 196.246 2.640 10 0 AFAERN CCC1(CC)CCCN1C(=O)C(C)C 721423180 674078028 /nfs/dbraw/zinc/07/80/28/674078028.db2.gz HEUAYGDKSSFJAT-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CCc1ccc(-c2cccnc2)nc1 198092251 1169297594 /nfs/dbraw/zinc/29/75/94/1169297594.db2.gz XWWRWIMYVYTNFD-UHFFFAOYSA-N 0 0 184.242 2.706 10 0 AFAERN CC(=O)O[C@@H](C)c1cccc(C)c1C 113145651 674078073 /nfs/dbraw/zinc/07/80/73/674078073.db2.gz BILXNWVOHDAWEE-JTQLQIEISA-N 0 0 192.258 2.928 10 0 AFAERN C/C=C(\C)C(=O)OC[C@@H](C)CCC 38635497 674078165 /nfs/dbraw/zinc/07/81/65/674078165.db2.gz SXXTZKDMFMLOCG-CMWXKVOJSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(/C)C(=O)OC[C@@H](C)CCC 38635487 674078319 /nfs/dbraw/zinc/07/83/19/674078319.db2.gz SXXTZKDMFMLOCG-LKJZUNMESA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(/C)C(=O)OC[C@H](C)CCC 38635485 674078584 /nfs/dbraw/zinc/07/85/84/674078584.db2.gz SXXTZKDMFMLOCG-WPVMNKCKSA-N 0 0 184.279 2.932 10 0 AFAERN CCCSCc1cnc(C)o1 114377822 674078623 /nfs/dbraw/zinc/07/86/23/674078623.db2.gz KHOJOUHVBITYPV-UHFFFAOYSA-N 0 0 171.265 2.626 10 0 AFAERN C/C=C(\C)C(=O)OC[C@H](C)CCC 38635495 674078629 /nfs/dbraw/zinc/07/86/29/674078629.db2.gz SXXTZKDMFMLOCG-ZFZMKPAXSA-N 0 0 184.279 2.932 10 0 AFAERN CCCCCCN(CC)OCC 199448069 1169298238 /nfs/dbraw/zinc/29/82/38/1169298238.db2.gz BHPXUQVRLRPGMC-UHFFFAOYSA-N 0 0 173.300 2.840 10 0 AFAERN CCC(=O)Cc1ccc2cnccc2c1 200136246 1169298664 /nfs/dbraw/zinc/29/86/64/1169298664.db2.gz CCWWIDJMSJDNPU-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN Cc1cccc(F)c1OC(C)C 200331477 1169298876 /nfs/dbraw/zinc/29/88/76/1169298876.db2.gz CUTCXBKGDQIHPB-UHFFFAOYSA-N 0 0 168.211 2.921 10 0 AFAERN C[C@H]1C[C@H]1COc1ccc(Cl)nc1 722846701 674079349 /nfs/dbraw/zinc/07/93/49/674079349.db2.gz KBVKCRSJFKVLJV-YUMQZZPRSA-N 0 0 197.665 2.770 10 0 AFAERN C[C@@H]1C[C@@H]1COc1ccc(Cl)nc1 722846695 674079428 /nfs/dbraw/zinc/07/94/28/674079428.db2.gz KBVKCRSJFKVLJV-HTQZYQBOSA-N 0 0 197.665 2.770 10 0 AFAERN CCCCCCOC(=O)NC(C)C 200163044 1169299443 /nfs/dbraw/zinc/29/94/43/1169299443.db2.gz QCFNXNHCNMNWCJ-UHFFFAOYSA-N 0 0 187.283 2.701 10 0 AFAERN C[C@@H]1C[C@H]1COc1ccc(Cl)nc1 722846699 674080035 /nfs/dbraw/zinc/08/00/35/674080035.db2.gz KBVKCRSJFKVLJV-SFYZADRCSA-N 0 0 197.665 2.770 10 0 AFAERN OSn1ccc2c(Cl)ccnc21 725327768 674080536 /nfs/dbraw/zinc/08/05/36/674080536.db2.gz BUAMRDWHOCJOCS-UHFFFAOYSA-N 0 0 199.642 2.532 10 0 AFAERN c1ccc2c(-c3cc[nH]n3)nccc2c1 200729112 1169300409 /nfs/dbraw/zinc/30/04/09/1169300409.db2.gz JIKQTGKRKGBTJU-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)OCC1CC(C)(C)C1 802291566 674081556 /nfs/dbraw/zinc/08/15/56/674081556.db2.gz JPICMHASHQAGAG-WPRPVWTQSA-N 0 0 196.290 2.622 10 0 AFAERN C/C=C(/C)C(=O)OCC1CC(C)(C)C1 802292520 674081561 /nfs/dbraw/zinc/08/15/61/674081561.db2.gz FLEHOXDHKDWFDX-UITAMQMPSA-N 0 0 196.290 2.932 10 0 AFAERN CC1(C)CC(COC(=O)C2(C)CC2)C1 802290822 674081564 /nfs/dbraw/zinc/08/15/64/674081564.db2.gz ZNQMVMYZNIIACK-UHFFFAOYSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@H]1C[C@H]1C(=O)OCC1CC(C)(C)C1 802291565 674081579 /nfs/dbraw/zinc/08/15/79/674081579.db2.gz JPICMHASHQAGAG-WCBMZHEXSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)OCC1CC(C)(C)C1 802291564 674081585 /nfs/dbraw/zinc/08/15/85/674081585.db2.gz JPICMHASHQAGAG-SCZZXKLOSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)=CC(=O)OCC1CC(C)(C)C1 802293206 674081600 /nfs/dbraw/zinc/08/16/00/674081600.db2.gz VISOTWJVWDXVPO-UHFFFAOYSA-N 0 0 196.290 2.932 10 0 AFAERN CC1(C)CC(COC(=O)CC2CC2)C1 802292128 674081655 /nfs/dbraw/zinc/08/16/55/674081655.db2.gz UZZPTPPADSQSBP-UHFFFAOYSA-N 0 0 196.290 2.766 10 0 AFAERN CC1(C)CC(COC(=O)C2CCC2)C1 802292266 674081661 /nfs/dbraw/zinc/08/16/61/674081661.db2.gz AKICMNJAASWYFH-UHFFFAOYSA-N 0 0 196.290 2.766 10 0 AFAERN C/C=C(\C)C(=O)OCC1CC(C)(C)C1 802292522 674081664 /nfs/dbraw/zinc/08/16/64/674081664.db2.gz FLEHOXDHKDWFDX-WEVVVXLNSA-N 0 0 196.290 2.932 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)OCC1CC(C)(C)C1 802291563 674081666 /nfs/dbraw/zinc/08/16/66/674081666.db2.gz JPICMHASHQAGAG-PSASIEDQSA-N 0 0 196.290 2.622 10 0 AFAERN CCn1nccc1-c1ccc(F)cc1 200979465 1169302286 /nfs/dbraw/zinc/30/22/86/1169302286.db2.gz HNOKXJHXICIAKX-UHFFFAOYSA-N 0 0 190.221 2.709 10 0 AFAERN COc1ccc(C)c(OC(C)C)c1 201100500 1169302854 /nfs/dbraw/zinc/30/28/54/1169302854.db2.gz LYMQDEODKGBOHC-UHFFFAOYSA-N 0 0 180.247 2.791 10 0 AFAERN c1cncc(-c2cccc3[nH]cnc23)c1 200900570 1169302869 /nfs/dbraw/zinc/30/28/69/1169302869.db2.gz BGBBXGXBESNEIJ-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CCc1ccc(C)c(F)c1F 201277443 1169304192 /nfs/dbraw/zinc/30/41/92/1169304192.db2.gz ASAJTIYURPPYBS-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN CCOc1cc(F)c(C)cc1F 202032006 1169306062 /nfs/dbraw/zinc/30/60/62/1169306062.db2.gz IXZRYFYUZNFUFR-UHFFFAOYSA-N 0 0 172.174 2.672 10 0 AFAERN CC(C)=Cc1cccc(O)c1 201817040 1169306352 /nfs/dbraw/zinc/30/63/52/1169306352.db2.gz YMLYKOCJCGFBCZ-UHFFFAOYSA-N 0 0 148.205 2.815 10 0 AFAERN COc1ncccc1CC(C)(C)C 201787375 1169307575 /nfs/dbraw/zinc/30/75/75/1169307575.db2.gz XQAPZIWJCOJRAK-UHFFFAOYSA-N 0 0 179.263 2.679 10 0 AFAERN Cc1ccc(NC(=O)OCCF)cc1 202239068 1169307640 /nfs/dbraw/zinc/30/76/40/1169307640.db2.gz LRGMUPBRRRMGKB-UHFFFAOYSA-N 0 0 197.209 2.513 10 0 AFAERN Cc1cccc(NC(=O)OCCF)c1 202238570 1169307763 /nfs/dbraw/zinc/30/77/63/1169307763.db2.gz GDFZXPCCNNWGQY-UHFFFAOYSA-N 0 0 197.209 2.513 10 0 AFAERN CC(=O)c1cc(CC(C)(C)C)ccn1 202003045 1169307892 /nfs/dbraw/zinc/30/78/92/1169307892.db2.gz VVUAVFXCPNCYTA-UHFFFAOYSA-N 0 0 191.274 2.873 10 0 AFAERN Cc1cnccc1CC(C)(C)C 202323279 1169309063 /nfs/dbraw/zinc/30/90/63/1169309063.db2.gz MTDBRSMMQVGPMF-UHFFFAOYSA-N 0 0 163.264 2.979 10 0 AFAERN CO[C@@H](C)CCOc1ccc(C)cc1 202311123 1169309092 /nfs/dbraw/zinc/30/90/92/1169309092.db2.gz ZBQLVILPDWOYOK-NSHDSACASA-N 0 0 194.274 2.799 10 0 AFAERN CO[C@H](C)CCOc1ccc(C)cc1 202311104 1169309139 /nfs/dbraw/zinc/30/91/39/1169309139.db2.gz ZBQLVILPDWOYOK-LLVKDONJSA-N 0 0 194.274 2.799 10 0 AFAERN CCOc1cc(C)ccc1CC 202392925 1169309184 /nfs/dbraw/zinc/30/91/84/1169309184.db2.gz ODJYOQZUPMNGIO-UHFFFAOYSA-N 0 0 164.248 2.956 10 0 AFAERN CCC(=O)Cc1cccc(CC)c1 203957901 1169310033 /nfs/dbraw/zinc/31/00/33/1169310033.db2.gz ABKATTFZYNSEMC-UHFFFAOYSA-N 0 0 176.259 2.771 10 0 AFAERN CC(C)C(=O)/C(C#N)=C/c1ccccc1 204234809 1169310958 /nfs/dbraw/zinc/31/09/58/1169310958.db2.gz CHLUUSQVRKHKRN-XYOKQWHBSA-N 0 0 199.253 2.819 10 0 AFAERN COCCc1ccccc1Cl 203936125 1169311520 /nfs/dbraw/zinc/31/15/20/1169311520.db2.gz ZGFPYEIUADUCMY-UHFFFAOYSA-N 0 0 170.639 2.529 10 0 AFAERN CCOc1ccc(CC)cc1C 203805117 1169311847 /nfs/dbraw/zinc/31/18/47/1169311847.db2.gz UXCRFAKZSXLJJN-UHFFFAOYSA-N 0 0 164.248 2.956 10 0 AFAERN CCOc1ccc(CC)cc1F 204234470 1169312204 /nfs/dbraw/zinc/31/22/04/1169312204.db2.gz NQGSBABBJUEKNS-UHFFFAOYSA-N 0 0 168.211 2.787 10 0 AFAERN Cc1cccc(OC2CCC2)c1 204219315 1169313036 /nfs/dbraw/zinc/31/30/36/1169313036.db2.gz NYLUHLSUOINDLX-UHFFFAOYSA-N 0 0 162.232 2.926 10 0 AFAERN CCc1ccnc2cc(OC)ccc12 204749512 1169314119 /nfs/dbraw/zinc/31/41/19/1169314119.db2.gz PHJMGOPEHKEUEJ-UHFFFAOYSA-N 0 0 187.242 2.806 10 0 AFAERN COc1c(F)cc(C)cc1Cl 204439716 1169314170 /nfs/dbraw/zinc/31/41/70/1169314170.db2.gz VYAMLQQMYRQZPM-UHFFFAOYSA-N 0 0 174.602 2.796 10 0 AFAERN Cc1ccnc(Nc2ccccc2N)c1 204326792 1169314613 /nfs/dbraw/zinc/31/46/13/1169314613.db2.gz SMQDGZAQIMOLJS-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Fc1cc(F)cc(C2=CCOCC2)c1 205108773 1169314708 /nfs/dbraw/zinc/31/47/08/1169314708.db2.gz WYZNIZRCXYLWDR-UHFFFAOYSA-N 0 0 196.196 2.769 10 0 AFAERN CCOCCc1cc2ccccc2[nH]1 205163117 1169314726 /nfs/dbraw/zinc/31/47/26/1169314726.db2.gz QTYXPCZENWHBTD-UHFFFAOYSA-N 0 0 189.258 2.747 10 0 AFAERN Cc1ccc(O)cc1-c1ccccn1 204394751 1169315524 /nfs/dbraw/zinc/31/55/24/1169315524.db2.gz BSCPZJMIQSBZQT-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CCCCc1cc(O)ccc1F 204430604 1169316371 /nfs/dbraw/zinc/31/63/71/1169316371.db2.gz QCXQMVHIFRNVPB-UHFFFAOYSA-N 0 0 168.211 2.874 10 0 AFAERN CCc1ccc(F)c(C)c1F 205528181 1169318515 /nfs/dbraw/zinc/31/85/15/1169318515.db2.gz HTSVEWCAEZNWMN-UHFFFAOYSA-N 0 0 156.175 2.836 10 0 AFAERN Cc1ccc(Nc2ncccn2)c(C)c1 205748667 1169318660 /nfs/dbraw/zinc/31/86/60/1169318660.db2.gz IQPSBKPVZWJPMX-UHFFFAOYSA-N 0 0 199.257 2.837 10 0 AFAERN Cc1ccc(CC(F)(F)F)c(N)c1 205285849 1169319471 /nfs/dbraw/zinc/31/94/71/1169319471.db2.gz UQFYIFZRWIWPKW-UHFFFAOYSA-N 0 0 189.180 2.682 10 0 AFAERN CSc1c(F)cc(C)cc1F 205543548 1169319491 /nfs/dbraw/zinc/31/94/91/1169319491.db2.gz LFVMDHLSEINIGN-UHFFFAOYSA-N 0 0 174.215 2.995 10 0 AFAERN Cc1cccc(-c2cnccn2)c1C 205332381 1169319636 /nfs/dbraw/zinc/31/96/36/1169319636.db2.gz LFWNYQZMCWAKNF-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN C=Cc1cc(C)cc(OC)c1 205331158 1169319713 /nfs/dbraw/zinc/31/97/13/1169319713.db2.gz IMGXOFIHWSVGAA-UHFFFAOYSA-N 0 0 148.205 2.647 10 0 AFAERN C=Cc1ncccc1C(F)F 209825946 1169321602 /nfs/dbraw/zinc/32/16/02/1169321602.db2.gz HHYUHSGPYPNLNX-UHFFFAOYSA-N 0 0 155.147 2.662 10 0 AFAERN C=Cc1cc(OC(C)C)ccn1 208359047 1169321731 /nfs/dbraw/zinc/32/17/31/1169321731.db2.gz KDSNICSVAMWVAE-UHFFFAOYSA-N 0 0 163.220 2.512 10 0 AFAERN C=Cc1c(C)cc(C)nc1C 209751498 1169321870 /nfs/dbraw/zinc/32/18/70/1169321870.db2.gz HHJFGJIBRCWXIC-UHFFFAOYSA-N 0 0 147.221 2.650 10 0 AFAERN C=Cc1cccc(C2CC2)n1 208343313 1169321996 /nfs/dbraw/zinc/32/19/96/1169321996.db2.gz KQXQNGKKFCZHLR-UHFFFAOYSA-N 0 0 145.205 2.602 10 0 AFAERN CC/C=C/NC(=O)Oc1ccccc1 207033063 1169322845 /nfs/dbraw/zinc/32/28/45/1169322845.db2.gz OFJSQRGVEVBTMC-YCRREMRBSA-N 0 0 191.230 2.699 10 0 AFAERN C=Cc1cccnc1C(F)F 209825718 1169322915 /nfs/dbraw/zinc/32/29/15/1169322915.db2.gz LQLOFJOGQDHSJT-UHFFFAOYSA-N 0 0 155.147 2.662 10 0 AFAERN C/C=C(\C)CC(=O)C(C)(C)C 207821529 1169322956 /nfs/dbraw/zinc/32/29/56/1169322956.db2.gz MUFYGPQLWZBDLE-SOFGYWHQSA-N 0 0 154.253 2.958 10 0 AFAERN C=Cc1ccnc(C2CC2)c1 208342569 1169323023 /nfs/dbraw/zinc/32/30/23/1169323023.db2.gz FJXTYHAYMBVXPH-UHFFFAOYSA-N 0 0 145.205 2.602 10 0 AFAERN C=Cc1cc(C2CC2)ccn1 208346491 1169323222 /nfs/dbraw/zinc/32/32/22/1169323222.db2.gz ROKUPXHTZALVLF-UHFFFAOYSA-N 0 0 145.205 2.602 10 0 AFAERN C=Cc1ncccc1OC(C)C 208359335 1169323232 /nfs/dbraw/zinc/32/32/32/1169323232.db2.gz NZYGXDBAQWXABO-UHFFFAOYSA-N 0 0 163.220 2.512 10 0 AFAERN C/C=C/C=C\C(=O)OCCCCC 207635865 1169323319 /nfs/dbraw/zinc/32/33/19/1169323319.db2.gz FVEPKSQVIMVXPG-PKWCJPJFSA-N 0 0 182.263 2.852 10 0 AFAERN C=Cc1cncc(OC(C)C)c1 208359574 1169323547 /nfs/dbraw/zinc/32/35/47/1169323547.db2.gz DSEFCOSHHXJVAU-UHFFFAOYSA-N 0 0 163.220 2.512 10 0 AFAERN C=Cc1ccc(C2CC2)cn1 208345952 1169323722 /nfs/dbraw/zinc/32/37/22/1169323722.db2.gz QWKSIKPTWYYOHX-UHFFFAOYSA-N 0 0 145.205 2.602 10 0 AFAERN C=Cc1ccnc(C(F)F)c1 209826038 1169323993 /nfs/dbraw/zinc/32/39/93/1169323993.db2.gz OZLBEBCAPBVJQW-UHFFFAOYSA-N 0 0 155.147 2.662 10 0 AFAERN C=Cc1cc(C(F)F)ccn1 209825809 1169324060 /nfs/dbraw/zinc/32/40/60/1169324060.db2.gz CJFVGYPWZANOBI-UHFFFAOYSA-N 0 0 155.147 2.662 10 0 AFAERN C=Cc1ccc(OCC2CC2)nc1 208344683 1169324116 /nfs/dbraw/zinc/32/41/16/1169324116.db2.gz SSRQHSPAOQWIHU-UHFFFAOYSA-N 0 0 175.231 2.513 10 0 AFAERN C=Cc1cncc(C2CC2)c1 208345281 1169324299 /nfs/dbraw/zinc/32/42/99/1169324299.db2.gz POYGPPGOTVGCSI-UHFFFAOYSA-N 0 0 145.205 2.602 10 0 AFAERN C=Cc1ccc(OC(C)C)cn1 208359452 1169324363 /nfs/dbraw/zinc/32/43/63/1169324363.db2.gz KLAJBXQZRBDVJV-UHFFFAOYSA-N 0 0 163.220 2.512 10 0 AFAERN C=Cc1ccc(OC(C)C)nc1 208359694 1169324668 /nfs/dbraw/zinc/32/46/68/1169324668.db2.gz DCNHVNXXSCQHNX-UHFFFAOYSA-N 0 0 163.220 2.512 10 0 AFAERN C=Cc1cccnc1OC(C)C 208359929 1169324751 /nfs/dbraw/zinc/32/47/51/1169324751.db2.gz TVJJSEMMZHIJLQ-UHFFFAOYSA-N 0 0 163.220 2.512 10 0 AFAERN C=Cc1ccc(C(C)C)cn1 208356995 1169324800 /nfs/dbraw/zinc/32/48/00/1169324800.db2.gz XKUYGXQXSTWMEO-UHFFFAOYSA-N 0 0 147.221 2.848 10 0 AFAERN C=Cc1ccc(C(F)F)cn1 209825856 1169325055 /nfs/dbraw/zinc/32/50/55/1169325055.db2.gz BNWLWRCUQWQJLI-UHFFFAOYSA-N 0 0 155.147 2.662 10 0 AFAERN C/C=C\C(=O)N[C@H](C)c1cccs1 211351549 1169326373 /nfs/dbraw/zinc/32/63/73/1169326373.db2.gz AXISNWAQEZQSJR-QIUOEGRZSA-N 0 0 195.287 2.501 10 0 AFAERN CC(=O)c1cccc(CC(F)F)c1 213115713 1169333537 /nfs/dbraw/zinc/33/35/37/1169333537.db2.gz IPNHYSNIZAGDKT-UHFFFAOYSA-N 0 0 184.185 2.697 10 0 AFAERN CCCc1nc2c(F)cc(F)cc2[nH]1 211249153 1169328441 /nfs/dbraw/zinc/32/84/41/1169328441.db2.gz PHZQMVRTNSKWPP-UHFFFAOYSA-N 0 0 196.200 2.794 10 0 AFAERN C/C=C\C(=O)N1CCC(CCC)CC1 211189044 1169328812 /nfs/dbraw/zinc/32/88/12/1169328812.db2.gz NBIMUOOJORGBOZ-XQRVVYSFSA-N 0 0 195.306 2.601 10 0 AFAERN Oc1ccc(C2CC2)c(Cl)c1 212365800 1169331894 /nfs/dbraw/zinc/33/18/94/1169331894.db2.gz ZYSSBVFPRHXZJJ-UHFFFAOYSA-N 0 0 168.623 2.923 10 0 AFAERN CCc1ccc(N)c(C(C)C)c1 212172957 1169331975 /nfs/dbraw/zinc/33/19/75/1169331975.db2.gz KAYWJEUNSWTSMA-UHFFFAOYSA-N 0 0 163.264 2.955 10 0 AFAERN CC(C)(O)c1ccc(C2CC2)cc1 212669671 1169332346 /nfs/dbraw/zinc/33/23/46/1169332346.db2.gz QALFEYPISZSNMZ-UHFFFAOYSA-N 0 0 176.259 2.791 10 0 AFAERN C[C@H](O)c1ccc(C(C)(F)F)cc1 213244561 1169333468 /nfs/dbraw/zinc/33/34/68/1169333468.db2.gz KLXYRGLOXGCDBW-ZETCQYMHSA-N 0 0 186.201 2.852 10 0 AFAERN CCc1c(C)cc(OC)cc1C 213440504 1169333614 /nfs/dbraw/zinc/33/36/14/1169333614.db2.gz MYNIXSBFTNOZKG-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN C[C@H](O)c1ccc(CC(F)F)cc1 213244135 1169333646 /nfs/dbraw/zinc/33/36/46/1169333646.db2.gz BTEDJHHISFZBDV-ZETCQYMHSA-N 0 0 186.201 2.548 10 0 AFAERN C[C@@H](O)c1cccc(CC(F)F)c1 213243777 1169333746 /nfs/dbraw/zinc/33/37/46/1169333746.db2.gz NGIWEQIWPWEPQQ-SSDOTTSWSA-N 0 0 186.201 2.548 10 0 AFAERN C[C@@H](O)c1ccc(C(C)(F)F)cc1 213244620 1169333768 /nfs/dbraw/zinc/33/37/68/1169333768.db2.gz KLXYRGLOXGCDBW-SSDOTTSWSA-N 0 0 186.201 2.852 10 0 AFAERN CC(=O)c1ccc(CC(F)F)cc1 213115450 1169333860 /nfs/dbraw/zinc/33/38/60/1169333860.db2.gz IPWLMZGGOWOTIA-UHFFFAOYSA-N 0 0 184.185 2.697 10 0 AFAERN CCC1(CNc2ccccc2)COC1 213083542 1169333871 /nfs/dbraw/zinc/33/38/71/1169333871.db2.gz WQNDAOAVVNQAGM-UHFFFAOYSA-N 0 0 191.274 2.525 10 0 AFAERN C[C@H](O)c1cccc(CC(F)F)c1 213243718 1169333954 /nfs/dbraw/zinc/33/39/54/1169333954.db2.gz NGIWEQIWPWEPQQ-ZETCQYMHSA-N 0 0 186.201 2.548 10 0 AFAERN Cc1cc(Cl)c2nc(C)[nH]c2c1 213095209 1169334149 /nfs/dbraw/zinc/33/41/49/1169334149.db2.gz UBICJWPQDQLRRU-UHFFFAOYSA-N 0 0 180.638 2.833 10 0 AFAERN c1cnc(-c2ccc3[nH]ccc3c2)nc1 213468451 1169334458 /nfs/dbraw/zinc/33/44/58/1169334458.db2.gz STTCPTBKEMCSNH-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CC(=O)c1ccccc1CC(F)F 213115805 1169334467 /nfs/dbraw/zinc/33/44/67/1169334467.db2.gz YWBPKIZUPPTGTL-UHFFFAOYSA-N 0 0 184.185 2.697 10 0 AFAERN C[C@@H](O)c1ccc(CC(F)F)cc1 213244191 1169334518 /nfs/dbraw/zinc/33/45/18/1169334518.db2.gz BTEDJHHISFZBDV-SSDOTTSWSA-N 0 0 186.201 2.548 10 0 AFAERN CCc1cc(C)c(C)cc1OC 213440870 1169334536 /nfs/dbraw/zinc/33/45/36/1169334536.db2.gz LMXXMNVQLNNYLW-UHFFFAOYSA-N 0 0 164.248 2.874 10 0 AFAERN c1cnc(-c2ccc3[nH]ccc3c2)cn1 213469254 1169334595 /nfs/dbraw/zinc/33/45/95/1169334595.db2.gz LOHJELMKAIGSCP-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN Oc1ccc(OC2CC2)c(Cl)c1 213162183 1169334621 /nfs/dbraw/zinc/33/46/21/1169334621.db2.gz FBBSCDSKRSAUMP-UHFFFAOYSA-N 0 0 184.622 2.587 10 0 AFAERN CC/C=C(\C)C(=O)OCCC(C)C 216732311 1169336638 /nfs/dbraw/zinc/33/66/38/1169336638.db2.gz CUZNNYLNUGLYNG-UXBLZVDNSA-N 0 0 184.279 2.932 10 0 AFAERN CC/C=C(/C)C(=O)OCCC(C)C 216732356 1169336743 /nfs/dbraw/zinc/33/67/43/1169336743.db2.gz CUZNNYLNUGLYNG-POHAHGRESA-N 0 0 184.279 2.932 10 0 AFAERN Cc1ncccc1-c1ccc(O)cc1 216613822 1169336894 /nfs/dbraw/zinc/33/68/94/1169336894.db2.gz LAUUOPIFRZXNPI-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CCC(=O)Cc1ccc(C)cc1C 217476449 1169337004 /nfs/dbraw/zinc/33/70/04/1169337004.db2.gz WHYQOWQNNZRORI-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN Cc1ccncc1CCC(C)C 216210562 1169337111 /nfs/dbraw/zinc/33/71/11/1169337111.db2.gz CTHVHQSCFVOHFN-UHFFFAOYSA-N 0 0 163.264 2.979 10 0 AFAERN Cc1cccc(-c2cn[nH]c2)c1C 217712985 1169338603 /nfs/dbraw/zinc/33/86/03/1169338603.db2.gz FYLOYWWYRKSMER-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN Cc1sccc1-c1ncccn1 217659060 1169339086 /nfs/dbraw/zinc/33/90/86/1169339086.db2.gz ZABIUGPFFXBVMC-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Nc1ccc(CC(F)(F)F)c(F)c1 218244188 1169340425 /nfs/dbraw/zinc/34/04/25/1169340425.db2.gz ZEVQXEDQUKQHFJ-UHFFFAOYSA-N 0 0 193.143 2.513 10 0 AFAERN Cc1cc(-c2cccc(F)n2)ccn1 219550896 1169345336 /nfs/dbraw/zinc/34/53/36/1169345336.db2.gz VHNMDMXYPJHKCV-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CC(C)c1cc(F)c(CO)c(F)c1 219837901 1169345486 /nfs/dbraw/zinc/34/54/86/1169345486.db2.gz GNWSJWFQYAJQOW-UHFFFAOYSA-N 0 0 186.201 2.581 10 0 AFAERN Cc1nccc(-c2ccccc2F)n1 219755177 1169347575 /nfs/dbraw/zinc/34/75/75/1169347575.db2.gz ZIBACRFZSVYXHB-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cc(Nc2ccccc2)no1 219982133 1169348350 /nfs/dbraw/zinc/34/83/50/1169348350.db2.gz MLFYDGATXAHJPF-UHFFFAOYSA-N 0 0 174.203 2.727 10 0 AFAERN C=Cc1cccc2c1CCC2 220024027 1169348468 /nfs/dbraw/zinc/34/84/68/1169348468.db2.gz LBUCYNCDFCNMMV-UHFFFAOYSA-N 0 0 144.217 2.818 10 0 AFAERN Cc1noc(NC2CCCCCC2)n1 221227229 1169349294 /nfs/dbraw/zinc/34/92/94/1169349294.db2.gz NTKYZIOCLGCANG-UHFFFAOYSA-N 0 0 195.266 2.513 10 0 AFAERN Cc1nccc(-c2ccccc2C)n1 221261784 1169349696 /nfs/dbraw/zinc/34/96/96/1169349696.db2.gz UXTWLOUHAPZLDA-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CCC(=O)CO[C@@H]1CC[C@@H](C)[C@@H](C)C1 220905882 1169349769 /nfs/dbraw/zinc/34/97/69/1169349769.db2.gz GKCFYHAGOSYECQ-JFGNBEQYSA-N 0 0 198.306 2.807 10 0 AFAERN COc1cnccc1Cc1ccccc1 221177130 1169351496 /nfs/dbraw/zinc/35/14/96/1169351496.db2.gz HHZDAFQEPVNUSJ-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN CC(C)(O)/C=C/c1ccc(F)cc1 220753388 1169351566 /nfs/dbraw/zinc/35/15/66/1169351566.db2.gz HIKUQBKAHWTTQW-BQYQJAHWSA-N 0 0 180.222 2.610 10 0 AFAERN Nc1cnccc1/C=C/c1ccccc1 221005091 1169351687 /nfs/dbraw/zinc/35/16/87/1169351687.db2.gz ABWSGMQCYNGGBV-VOTSOKGWSA-N 0 0 196.253 2.834 10 0 AFAERN CC(C)NC(=O)C(C)(C)CC(C)(C)C 220921808 1169351737 /nfs/dbraw/zinc/35/17/37/1169351737.db2.gz AAGVNWMPIZXWFL-UHFFFAOYSA-N 0 0 199.338 2.973 10 0 AFAERN CCCCCOC(=O)NCC(C)C 221538643 1169355189 /nfs/dbraw/zinc/35/51/89/1169355189.db2.gz LECLJXCRXNPNDZ-UHFFFAOYSA-N 0 0 187.283 2.559 10 0 AFAERN CCOc1cccc(CC)c1F 222086448 1169357902 /nfs/dbraw/zinc/35/79/02/1169357902.db2.gz ZBHRUNNUEALFEL-UHFFFAOYSA-N 0 0 168.211 2.787 10 0 AFAERN COC(=O)Nc1cc(C)ccc1Cl 222489744 1169358150 /nfs/dbraw/zinc/35/81/50/1169358150.db2.gz VSBYSDZCDSTPHW-UHFFFAOYSA-N 0 0 199.637 2.827 10 0 AFAERN Cc1ccc(-c2ccc(O)cc2)cc1N 222306890 1169358203 /nfs/dbraw/zinc/35/82/03/1169358203.db2.gz IOKIASHZWLILNF-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN Cc1cccc(-c2cnc(C)s2)n1 222835812 1169359754 /nfs/dbraw/zinc/35/97/54/1169359754.db2.gz JWLFYXJJAMWRBQ-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1cccc(C)c1-c1ccc(N)cn1 223763763 1169360260 /nfs/dbraw/zinc/36/02/60/1169360260.db2.gz FXKKYFORFASWFY-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C=Cc1ccc(C(=O)OCC)c(F)c1 224842748 1169364361 /nfs/dbraw/zinc/36/43/61/1169364361.db2.gz BKCDROWAVHRWTK-UHFFFAOYSA-N 0 0 194.205 2.645 10 0 AFAERN CC(C)Oc1cnc(Cl)c(F)c1 224873760 1169366492 /nfs/dbraw/zinc/36/64/92/1169366492.db2.gz COXVXQLBKPCCIZ-UHFFFAOYSA-N 0 0 189.617 2.661 10 0 AFAERN COc1cccc(CC2CC2)c1OC 224579167 1169367273 /nfs/dbraw/zinc/36/72/73/1169367273.db2.gz RZPZEXHCHUKZMW-UHFFFAOYSA-N 0 0 192.258 2.656 10 0 AFAERN Cc1cccc(O[C@@H]2CCCOC2)c1 225342819 1169367607 /nfs/dbraw/zinc/36/76/07/1169367607.db2.gz MJYRYXFMLBAEHF-GFCCVEGCSA-N 0 0 192.258 2.553 10 0 AFAERN Cc1ccc(O[C@@H]2CCCOC2)cc1 225342548 1169368158 /nfs/dbraw/zinc/36/81/58/1169368158.db2.gz HSCQULLDSGCRNW-GFCCVEGCSA-N 0 0 192.258 2.553 10 0 AFAERN Cc1ccccc1O[C@H]1CCCOC1 225342315 1169369181 /nfs/dbraw/zinc/36/91/81/1169369181.db2.gz BXQBQFJHDFNOEQ-NSHDSACASA-N 0 0 192.258 2.553 10 0 AFAERN Cc1ccccc1O[C@@H]1CCCOC1 225342279 1169369655 /nfs/dbraw/zinc/36/96/55/1169369655.db2.gz BXQBQFJHDFNOEQ-LLVKDONJSA-N 0 0 192.258 2.553 10 0 AFAERN CCCCNC(=O)OCC(C)(C)C 225093306 1169369875 /nfs/dbraw/zinc/36/98/75/1169369875.db2.gz SDAHLHBKGBYINC-UHFFFAOYSA-N 0 0 187.283 2.559 10 0 AFAERN Cc1cccc(O[C@H]2CCCOC2)c1 225342857 1169370118 /nfs/dbraw/zinc/37/01/18/1169370118.db2.gz MJYRYXFMLBAEHF-LBPRGKRZSA-N 0 0 192.258 2.553 10 0 AFAERN Cc1ccc(O[C@H]2CCCOC2)cc1 225342586 1169370877 /nfs/dbraw/zinc/37/08/77/1169370877.db2.gz HSCQULLDSGCRNW-LBPRGKRZSA-N 0 0 192.258 2.553 10 0 AFAERN CCCC[C@H](CCC)N1CCC(=O)C1 226118583 1169374498 /nfs/dbraw/zinc/37/44/98/1169374498.db2.gz SYMGLMCSOKMRAX-NSHDSACASA-N 0 0 197.322 2.620 10 0 AFAERN CCCC[C@@H](CCC)N1CCC(=O)C1 226118572 1169375529 /nfs/dbraw/zinc/37/55/29/1169375529.db2.gz SYMGLMCSOKMRAX-LLVKDONJSA-N 0 0 197.322 2.620 10 0 AFAERN Cc1cncc(-c2ccc(C)c(N)c2)c1 227963003 1169381483 /nfs/dbraw/zinc/38/14/83/1169381483.db2.gz CNNDEWGBSJWUPA-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cncc(-c2ccc(N)c(C)c2)c1 227963313 1169381874 /nfs/dbraw/zinc/38/18/74/1169381874.db2.gz XWQAJRQHJRZZFR-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cncc(-c2cc(N)ccc2C)c1 227963369 1169382051 /nfs/dbraw/zinc/38/20/51/1169382051.db2.gz HIQFFDROWLSYGE-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(N)cc1NC1(C)CCC1 228831549 1169383180 /nfs/dbraw/zinc/38/31/80/1169383180.db2.gz MMHMPHUUFWVCIS-UHFFFAOYSA-N 0 0 190.290 2.932 10 0 AFAERN Cc1cncc(-c2cc(C)ccc2N)c1 227963171 1169383317 /nfs/dbraw/zinc/38/33/17/1169383317.db2.gz IOPFIGHGDICRGS-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cncc(-c2ccc(N)cc2C)c1 227963161 1169383418 /nfs/dbraw/zinc/38/34/18/1169383418.db2.gz SNTQLVKPOSWPQS-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCCNc1nc(Cl)ccc1N 228439374 1169383634 /nfs/dbraw/zinc/38/36/34/1169383634.db2.gz JIQHRVHMLPZKDZ-UHFFFAOYSA-N 0 0 199.685 2.529 10 0 AFAERN CCC1(Nc2ncccc2F)CCC1 229510858 1169387078 /nfs/dbraw/zinc/38/70/78/1169387078.db2.gz IPCBPRCUCAOPSG-UHFFFAOYSA-N 0 0 194.253 2.965 10 0 AFAERN CCCCc1ccc(N)cc1F 229314739 1169389826 /nfs/dbraw/zinc/38/98/26/1169389826.db2.gz KUICQTZXAYDPKL-UHFFFAOYSA-N 0 0 167.227 2.751 10 0 AFAERN Cc1cc(-c2cc(N)ccc2C)ccn1 229579126 1169391363 /nfs/dbraw/zinc/39/13/63/1169391363.db2.gz ZNJGHRBFSXOYQJ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cc(-c2ccccc2O)ccn1 229601188 1169391450 /nfs/dbraw/zinc/39/14/50/1169391450.db2.gz QRYMEACZGTYJEC-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1cc(-c2ccc(N)c(C)c2)ccn1 229579289 1169391576 /nfs/dbraw/zinc/39/15/76/1169391576.db2.gz CFJRLWFEPHGGOH-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC[C@@H](C)NC1(C(F)(F)F)CC1 229653901 1169391631 /nfs/dbraw/zinc/39/16/31/1169391631.db2.gz PEILQUFYMFFNKL-SSDOTTSWSA-N 0 0 195.228 2.860 10 0 AFAERN Cc1ccc(-c2ccnc(C)c2)c(N)c1 229579409 1169391794 /nfs/dbraw/zinc/39/17/94/1169391794.db2.gz PWWPYPAKXWGILC-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC(CC)NC1(C(F)(F)F)CC1 229649390 1169391875 /nfs/dbraw/zinc/39/18/75/1169391875.db2.gz LAZFZZYQCOGGMI-UHFFFAOYSA-N 0 0 195.228 2.860 10 0 AFAERN Cc1cc(-c2ccc(N)cc2C)ccn1 229579898 1169392029 /nfs/dbraw/zinc/39/20/29/1169392029.db2.gz FAXFMMKHZOCHFO-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(N)c(-c2ccnc(C)c2)c1 229579643 1169392271 /nfs/dbraw/zinc/39/22/71/1169392271.db2.gz ZVTNLOVWKYFZCB-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC[C@H](C)NC1(C(F)(F)F)CC1 229653909 1169393078 /nfs/dbraw/zinc/39/30/78/1169393078.db2.gz PEILQUFYMFFNKL-ZETCQYMHSA-N 0 0 195.228 2.860 10 0 AFAERN CCC[C@@H](C)Oc1ccnc(F)c1 230442224 1169398521 /nfs/dbraw/zinc/39/85/21/1169398521.db2.gz VTWYRMAGZZQXRP-MRVPVSSYSA-N 0 0 183.226 2.788 10 0 AFAERN CCC[C@@H](C)Oc1cccc(F)n1 230441351 1169399439 /nfs/dbraw/zinc/39/94/39/1169399439.db2.gz WYZFAWQIISWIIJ-MRVPVSSYSA-N 0 0 183.226 2.788 10 0 AFAERN CCC[C@H](C)Oc1cccc(F)n1 230441356 1169399634 /nfs/dbraw/zinc/39/96/34/1169399634.db2.gz WYZFAWQIISWIIJ-QMMMGPOBSA-N 0 0 183.226 2.788 10 0 AFAERN CCC[C@H](C)Oc1ccnc(F)c1 230442232 1169400031 /nfs/dbraw/zinc/40/00/31/1169400031.db2.gz VTWYRMAGZZQXRP-QMMMGPOBSA-N 0 0 183.226 2.788 10 0 AFAERN CCC[C@@H](C)OCC(=O)C(C)(C)C 230553168 1169400251 /nfs/dbraw/zinc/40/02/51/1169400251.db2.gz YNRCCNBJMVYZIV-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN CCC[C@H](C)OCC(=O)C(C)(C)C 230553201 1169400509 /nfs/dbraw/zinc/40/05/09/1169400509.db2.gz YNRCCNBJMVYZIV-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN COC[C@H](C)Oc1cc(F)ccc1C 230692084 1169401472 /nfs/dbraw/zinc/40/14/72/1169401472.db2.gz LYOAPWVKPONULN-VIFPVBQESA-N 0 0 198.237 2.548 10 0 AFAERN Cc1cccc(C)c1-c1cnccn1 230820207 1169402087 /nfs/dbraw/zinc/40/20/87/1169402087.db2.gz YCBNSOKEODEGQS-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN C[C@H](CC1CCC1)Nc1nncs1 232288373 1169407226 /nfs/dbraw/zinc/40/72/26/1169407226.db2.gz CTDYNODIHRYYQN-SSDOTTSWSA-N 0 0 197.307 2.529 10 0 AFAERN CSCCO[C@H](C)CC(C)C 231932413 1169405085 /nfs/dbraw/zinc/40/50/85/1169405085.db2.gz YHZDNRCJVJDQMP-SECBINFHSA-N 0 0 176.325 2.801 10 0 AFAERN Cc1cnccc1-c1cccc(N)c1C 232215830 1169405227 /nfs/dbraw/zinc/40/52/27/1169405227.db2.gz WYQJYRHZXQJCOX-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C[C@@H](CC1CCC1)Nc1nncs1 232288371 1169405421 /nfs/dbraw/zinc/40/54/21/1169405421.db2.gz CTDYNODIHRYYQN-ZETCQYMHSA-N 0 0 197.307 2.529 10 0 AFAERN CSCCO[C@H]1CCC[C@@H](C)C1 231932464 1169405621 /nfs/dbraw/zinc/40/56/21/1169405621.db2.gz VIXOEGLBESVLIO-ZJUUUORDSA-N 0 0 188.336 2.945 10 0 AFAERN CSCCOC1CCC(C)CC1 231932359 1169405747 /nfs/dbraw/zinc/40/57/47/1169405747.db2.gz HWMDDVWDZBREGV-UHFFFAOYSA-N 0 0 188.336 2.945 10 0 AFAERN CSCCO[C@H]1CCC[C@H](C)C1 231932467 1169405752 /nfs/dbraw/zinc/40/57/52/1169405752.db2.gz VIXOEGLBESVLIO-UWVGGRQHSA-N 0 0 188.336 2.945 10 0 AFAERN CSCCCNc1cncc(C)c1 232073078 1169405764 /nfs/dbraw/zinc/40/57/64/1169405764.db2.gz AROWRGBITHKKBZ-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN C[C@H]1CC[C@@H](COc2ccccc2)O1 232052982 1169405802 /nfs/dbraw/zinc/40/58/02/1169405802.db2.gz PUXMIRZZDRZUMP-JQWIXIFHSA-N 0 0 192.258 2.633 10 0 AFAERN Cc1c(N)cccc1-c1ccncc1 232215218 1169406740 /nfs/dbraw/zinc/40/67/40/1169406740.db2.gz NAQICXQHEONPLS-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1cc(-c2cccc(N)c2C)ccn1 232216637 1169406808 /nfs/dbraw/zinc/40/68/08/1169406808.db2.gz ZVXBXFIQSQNWNK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CSCCO[C@@H](C)CC(C)C 231932409 1169406826 /nfs/dbraw/zinc/40/68/26/1169406826.db2.gz YHZDNRCJVJDQMP-VIFPVBQESA-N 0 0 176.325 2.801 10 0 AFAERN Cc1cncc(-c2cccc(N)c2C)c1 232216207 1169406930 /nfs/dbraw/zinc/40/69/30/1169406930.db2.gz MYBVAXPIXPZXTC-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CSCCO[C@@H]1CCC[C@@H](C)C1 231932462 1169407185 /nfs/dbraw/zinc/40/71/85/1169407185.db2.gz VIXOEGLBESVLIO-NXEZZACHSA-N 0 0 188.336 2.945 10 0 AFAERN CSCCO[C@@H]1CCC[C@H](C)C1 231932465 1169407334 /nfs/dbraw/zinc/40/73/34/1169407334.db2.gz VIXOEGLBESVLIO-VHSXEESVSA-N 0 0 188.336 2.945 10 0 AFAERN CCC1(Nc2cc(C)cnn2)CCC1 233058980 1169408490 /nfs/dbraw/zinc/40/84/90/1169408490.db2.gz HSVQGJPEKIGHQZ-UHFFFAOYSA-N 0 0 191.278 2.530 10 0 AFAERN CCC[C@@H](C)Oc1ccc(F)nc1 233281610 1169409066 /nfs/dbraw/zinc/40/90/66/1169409066.db2.gz TZQANKYQKDWPSL-MRVPVSSYSA-N 0 0 183.226 2.788 10 0 AFAERN CCCCc1cc(O)cc(F)c1 233015053 1169409274 /nfs/dbraw/zinc/40/92/74/1169409274.db2.gz CFCZSSLEUZLRQX-UHFFFAOYSA-N 0 0 168.211 2.874 10 0 AFAERN CCC1(CNc2nncs2)CCC1 233023397 1169409387 /nfs/dbraw/zinc/40/93/87/1169409387.db2.gz KOULVMWRVWFDGI-UHFFFAOYSA-N 0 0 197.307 2.530 10 0 AFAERN CCCC1(CNc2nncs2)CC1 233062723 1169409924 /nfs/dbraw/zinc/40/99/24/1169409924.db2.gz BZJYZCLXFPIJJG-UHFFFAOYSA-N 0 0 197.307 2.530 10 0 AFAERN CCCCc1ccc(F)cc1O 233022071 1169410643 /nfs/dbraw/zinc/41/06/43/1169410643.db2.gz LAOMWGVEOWURMQ-UHFFFAOYSA-N 0 0 168.211 2.874 10 0 AFAERN CCCCc1cc(NCCC)ncn1 233014947 1169410701 /nfs/dbraw/zinc/41/07/01/1169410701.db2.gz QBCLQDUNCHXGTI-UHFFFAOYSA-N 0 0 193.294 2.641 10 0 AFAERN CCC[C@H](C)Oc1ccc(CO)cc1 233341938 1169411495 /nfs/dbraw/zinc/41/14/95/1169411495.db2.gz FPFXJEPRCFALGU-JTQLQIEISA-N 0 0 194.274 2.746 10 0 AFAERN CCC[C@H](C)Oc1cccc(O)c1 233343006 1169411739 /nfs/dbraw/zinc/41/17/39/1169411739.db2.gz TXRRGKDYMAJIEP-VIFPVBQESA-N 0 0 180.247 2.960 10 0 AFAERN CC[C@@H](C)C[C@@H](C)Nc1nc(C)no1 233876253 1169411868 /nfs/dbraw/zinc/41/18/68/1169411868.db2.gz WFQRLPBNPNHSKK-HTQZYQBOSA-N 0 0 197.282 2.615 10 0 AFAERN CCC[C@@H](C)Oc1cccc(O)c1 233282331 1169412929 /nfs/dbraw/zinc/41/29/29/1169412929.db2.gz TXRRGKDYMAJIEP-SECBINFHSA-N 0 0 180.247 2.960 10 0 AFAERN CC[C@@H](C)C[C@H](C)Nc1nc(C)no1 233837518 1169413194 /nfs/dbraw/zinc/41/31/94/1169413194.db2.gz WFQRLPBNPNHSKK-SFYZADRCSA-N 0 0 197.282 2.615 10 0 AFAERN CCC[C@H](C)Oc1ccc(F)nc1 233342285 1169413246 /nfs/dbraw/zinc/41/32/46/1169413246.db2.gz TZQANKYQKDWPSL-QMMMGPOBSA-N 0 0 183.226 2.788 10 0 AFAERN CCC[C@H](C)Oc1cccnc1F 233343260 1169413326 /nfs/dbraw/zinc/41/33/26/1169413326.db2.gz IKWIDNLXPRZZHE-QMMMGPOBSA-N 0 0 183.226 2.788 10 0 AFAERN CCC[C@@H](C)Oc1cccnc1F 233282582 1169413546 /nfs/dbraw/zinc/41/35/46/1169413546.db2.gz IKWIDNLXPRZZHE-MRVPVSSYSA-N 0 0 183.226 2.788 10 0 AFAERN CC[C@H](C)C[C@H](C)Nc1nc(C)no1 234007576 1169415692 /nfs/dbraw/zinc/41/56/92/1169415692.db2.gz WFQRLPBNPNHSKK-YUMQZZPRSA-N 0 0 197.282 2.615 10 0 AFAERN CC[C@H](C)C[C@@H](C)Nc1nc(C)no1 233988226 1169416815 /nfs/dbraw/zinc/41/68/15/1169416815.db2.gz WFQRLPBNPNHSKK-JGVFFNPUSA-N 0 0 197.282 2.615 10 0 AFAERN C=C(OC1CC1)c1ccccc1 238006418 1169417846 /nfs/dbraw/zinc/41/78/46/1169417846.db2.gz QUFCDGFRZZTYAT-UHFFFAOYSA-N 0 0 160.216 2.836 10 0 AFAERN CC(=O)c1ccc(F)cc1OC1CC1 238142300 1169417852 /nfs/dbraw/zinc/41/78/52/1169417852.db2.gz CRKLDPRCIPSMQM-UHFFFAOYSA-N 0 0 194.205 2.570 10 0 AFAERN c1cc2ccc(OC3CC3)cc2[nH]1 238094363 1169417862 /nfs/dbraw/zinc/41/78/62/1169417862.db2.gz OOYUUBLOFPLJAF-UHFFFAOYSA-N 0 0 173.215 2.709 10 0 AFAERN c1cc2c(cc1OC1CCC1)CCO2 238054348 1169418028 /nfs/dbraw/zinc/41/80/28/1169418028.db2.gz BGJRDLKQAFNBNX-UHFFFAOYSA-N 0 0 190.242 2.553 10 0 AFAERN Cc1ccc(NC(C)(C)C2CC2)nc1 235879958 1169418418 /nfs/dbraw/zinc/41/84/18/1169418418.db2.gz LVESBVXTCTVLMA-UHFFFAOYSA-N 0 0 190.290 2.991 10 0 AFAERN c1cc2cc(OC3CC3)ccc2cn1 238094451 1169419201 /nfs/dbraw/zinc/41/92/01/1169419201.db2.gz JYEYZWONTRRXEP-UHFFFAOYSA-N 0 0 185.226 2.776 10 0 AFAERN c1cc2cc(OC3CC3)ccc2o1 238094746 1169419374 /nfs/dbraw/zinc/41/93/74/1169419374.db2.gz BWLBCFJJXVQZFS-UHFFFAOYSA-N 0 0 174.199 2.974 10 0 AFAERN COc1ccc(O)cc1CCC(C)C 238382335 1169420409 /nfs/dbraw/zinc/42/04/09/1169420409.db2.gz GBTKRXSVJUHWCM-UHFFFAOYSA-N 0 0 194.274 2.989 10 0 AFAERN Fc1cc(F)c(OC2CC2)cc1F 238628885 1169421679 /nfs/dbraw/zinc/42/16/79/1169421679.db2.gz ONRIMFWBLAHGCP-UHFFFAOYSA-N 0 0 188.148 2.645 10 0 AFAERN S=c1ccc(-c2ccncc2)c[nH]1 238719987 1169421716 /nfs/dbraw/zinc/42/17/16/1169421716.db2.gz FLHGLCHIMFLGOK-UHFFFAOYSA-N 0 0 188.255 2.806 10 0 AFAERN OCc1cc(Cl)cc(C2CC2)c1 238675644 1169422005 /nfs/dbraw/zinc/42/20/05/1169422005.db2.gz WXLBNWYOLKXSIV-UHFFFAOYSA-N 0 0 182.650 2.710 10 0 AFAERN Fc1cc(F)c(OC2CC2)c(F)c1 238628809 1169422015 /nfs/dbraw/zinc/42/20/15/1169422015.db2.gz IMZAWMCHINFSTA-UHFFFAOYSA-N 0 0 188.148 2.645 10 0 AFAERN Fc1cc(OC2CC2)cc(F)c1F 238639477 1169422446 /nfs/dbraw/zinc/42/24/46/1169422446.db2.gz ZYSHTHXTVBFSSF-UHFFFAOYSA-N 0 0 188.148 2.645 10 0 AFAERN CC[C@@H](C)c1ccc(N)cc1F 238798697 1169422557 /nfs/dbraw/zinc/42/25/57/1169422557.db2.gz STNKWFXCUNCZRH-SSDOTTSWSA-N 0 0 167.227 2.921 10 0 AFAERN Oc1cc(F)ccc1CC(F)(F)F 238699058 1169422577 /nfs/dbraw/zinc/42/25/77/1169422577.db2.gz KRXXVTZUITURPR-UHFFFAOYSA-N 0 0 194.127 2.636 10 0 AFAERN Oc1ccc(CC(F)(F)F)c(F)c1 238715479 1169422655 /nfs/dbraw/zinc/42/26/55/1169422655.db2.gz LFXFWBOBOPRZLR-UHFFFAOYSA-N 0 0 194.127 2.636 10 0 AFAERN C=C(c1ccccc1)c1ccncc1N 238607540 1169423051 /nfs/dbraw/zinc/42/30/51/1169423051.db2.gz SAWKCBOWWOBPDH-UHFFFAOYSA-N 0 0 196.253 2.725 10 0 AFAERN CCC(=O)CO[C@@H]1C[C@@H](C)C[C@@H](C)C1 251235234 1169429717 /nfs/dbraw/zinc/42/97/17/1169429717.db2.gz RHTFSQQKOJWZJF-IAZYJMLFSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)[C@@H](C)Oc1cccc(O)c1 259448945 1169438838 /nfs/dbraw/zinc/43/88/38/1169438838.db2.gz FPODRBLDXXCEOT-SECBINFHSA-N 0 0 180.247 2.816 10 0 AFAERN Cc1ccc(CC(F)(F)F)cc1N 259642472 1169439640 /nfs/dbraw/zinc/43/96/40/1169439640.db2.gz GTMBZWKPPWTFJJ-UHFFFAOYSA-N 0 0 189.180 2.682 10 0 AFAERN CCC(F)(F)c1ccc(O)cc1 259517896 1169439787 /nfs/dbraw/zinc/43/97/87/1169439787.db2.gz PNUWGKDRHPTKDR-UHFFFAOYSA-N 0 0 172.174 2.894 10 0 AFAERN CN(C)Cc1cc(Cl)ccc1F 259631688 1169440114 /nfs/dbraw/zinc/44/01/14/1169440114.db2.gz CDGIUFUFCWJIQC-UHFFFAOYSA-N 0 0 187.645 2.541 10 0 AFAERN CC(=O)c1cccc(CC2CC2)c1 259683527 1169440144 /nfs/dbraw/zinc/44/01/44/1169440144.db2.gz JHKMUNFIYLIXRX-UHFFFAOYSA-N 0 0 174.243 2.842 10 0 AFAERN FC1(F)CCN(C2CCCCC2)C1 259251076 1169440182 /nfs/dbraw/zinc/44/01/82/1169440182.db2.gz IOLHEPLKAMWICS-UHFFFAOYSA-N 0 0 189.249 2.660 10 0 AFAERN CC(C)[C@H](C)Oc1cccc(O)c1 259448946 1169440641 /nfs/dbraw/zinc/44/06/41/1169440641.db2.gz FPODRBLDXXCEOT-VIFPVBQESA-N 0 0 180.247 2.816 10 0 AFAERN Cc1ccc(CC2CC2)cc1N 259642467 1169440524 /nfs/dbraw/zinc/44/05/24/1169440524.db2.gz GTEZIVYSCSTLQG-UHFFFAOYSA-N 0 0 161.248 2.530 10 0 AFAERN CCC(F)(F)c1cccc(O)c1 259285065 1169441040 /nfs/dbraw/zinc/44/10/40/1169441040.db2.gz BVNXBYUHPDATJH-UHFFFAOYSA-N 0 0 172.174 2.894 10 0 AFAERN CCOC(=O)[C@H](C)c1cscc1C 259808955 1169441717 /nfs/dbraw/zinc/44/17/17/1169441717.db2.gz KXFFWRVYMMNNLX-MRVPVSSYSA-N 0 0 198.287 2.723 10 0 AFAERN Oc1cccc(CC2CCC2)c1 259804996 1169441810 /nfs/dbraw/zinc/44/18/10/1169441810.db2.gz SBTXRARJRZNNRX-UHFFFAOYSA-N 0 0 162.232 2.735 10 0 AFAERN CCOC(=O)[C@@H](C)c1cscc1C 259808958 1169442799 /nfs/dbraw/zinc/44/27/99/1169442799.db2.gz KXFFWRVYMMNNLX-QMMMGPOBSA-N 0 0 198.287 2.723 10 0 AFAERN Cc1nccc(C2CCCCC2)n1 259723539 1169443338 /nfs/dbraw/zinc/44/33/38/1169443338.db2.gz VNQMJZOYFOZUMB-UHFFFAOYSA-N 0 0 176.263 2.833 10 0 AFAERN CC(C)Cc1ccc(F)c(N)c1 259857675 1169443635 /nfs/dbraw/zinc/44/36/35/1169443635.db2.gz WTMNYSFJDPTEBV-UHFFFAOYSA-N 0 0 167.227 2.606 10 0 AFAERN CC(C)(C)Cc1ccc(F)c(N)c1 259841518 1169444019 /nfs/dbraw/zinc/44/40/19/1169444019.db2.gz VSIRWDWDTPMROY-UHFFFAOYSA-N 0 0 181.254 2.997 10 0 AFAERN CC(=O)c1ccccc1CC1CC1 259860938 1169444048 /nfs/dbraw/zinc/44/40/48/1169444048.db2.gz XETIEXHORDHCIA-UHFFFAOYSA-N 0 0 174.243 2.842 10 0 AFAERN Cc1ccc(CC(F)(F)F)cc1O 259735921 1169444071 /nfs/dbraw/zinc/44/40/71/1169444071.db2.gz NAYBWAQNVMQOKV-UHFFFAOYSA-N 0 0 190.164 2.805 10 0 AFAERN COc1ccc(CC2CC2)cc1C#N 259888586 1169446853 /nfs/dbraw/zinc/44/68/53/1169446853.db2.gz BLULDSKVWGFNQK-UHFFFAOYSA-N 0 0 187.242 2.519 10 0 AFAERN CCc1cc(Cl)cc(C(=O)OC)c1 260238901 1169449430 /nfs/dbraw/zinc/44/94/30/1169449430.db2.gz XVTGUPLSLGFRMY-UHFFFAOYSA-N 0 0 198.649 2.689 10 0 AFAERN CCOC(=O)CCc1cscc1C 261034988 1169451632 /nfs/dbraw/zinc/45/16/32/1169451632.db2.gz BPAMEMVLGWHSKN-UHFFFAOYSA-N 0 0 198.287 2.552 10 0 AFAERN CCCc1ccc(C)c(C(=O)OC)c1 261319618 1169457075 /nfs/dbraw/zinc/45/70/75/1169457075.db2.gz HCKBVLNQMJLEOR-UHFFFAOYSA-N 0 0 192.258 2.734 10 0 AFAERN CO[C@@H](C)CNc1cccc(C)c1F 300981892 1169463619 /nfs/dbraw/zinc/46/36/19/1169463619.db2.gz SFIMGDYZWVNKTN-VIFPVBQESA-N 0 0 197.253 2.581 10 0 AFAERN CO[C@H](C)CNc1cccc(C)c1F 300981891 1169464062 /nfs/dbraw/zinc/46/40/62/1169464062.db2.gz SFIMGDYZWVNKTN-SECBINFHSA-N 0 0 197.253 2.581 10 0 AFAERN CC(C)CCc1ccc(N)cc1F 306236880 1169467278 /nfs/dbraw/zinc/46/72/78/1169467278.db2.gz NVVXLDBCLKVFNL-UHFFFAOYSA-N 0 0 181.254 2.997 10 0 AFAERN FC(F)c1nnc(C2CCCC2)o1 306230809 1169467380 /nfs/dbraw/zinc/46/73/80/1169467380.db2.gz BVWZCORSDDXXMI-UHFFFAOYSA-N 0 0 188.177 2.665 10 0 AFAERN Cc1ccc(-c2nccs2)nc1C 306231635 1169467994 /nfs/dbraw/zinc/46/79/94/1169467994.db2.gz BIMRPNHFCKULMO-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1cc(C)nc(-c2nccs2)c1 306255022 1169469278 /nfs/dbraw/zinc/46/92/78/1169469278.db2.gz RHMRWIROSKFCEV-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1nnc(/C=C/c2ccsc2)o1 306274451 1169470124 /nfs/dbraw/zinc/47/01/24/1169470124.db2.gz FMHOGGLONXAJOK-NSCUHMNNSA-N 0 0 192.243 2.610 10 0 AFAERN Cc1ccnc(-c2cnc(C)s2)c1 306276707 1169470970 /nfs/dbraw/zinc/47/09/70/1169470970.db2.gz MALOOOWQGAHXAZ-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CC(C)=Cc1nnc([C@@H]2C[C@H]2C)o1 306337042 1169472306 /nfs/dbraw/zinc/47/23/06/1169472306.db2.gz TUCXACGYNFOXKS-HTQZYQBOSA-N 0 0 178.235 2.616 10 0 AFAERN CC(C)=Cc1nnc([C@H]2C[C@H]2C)o1 306337044 1169472362 /nfs/dbraw/zinc/47/23/62/1169472362.db2.gz TUCXACGYNFOXKS-SFYZADRCSA-N 0 0 178.235 2.616 10 0 AFAERN CC(C)=Cc1nnc([C@@H]2C[C@@H]2C)o1 306337043 1169472473 /nfs/dbraw/zinc/47/24/73/1169472473.db2.gz TUCXACGYNFOXKS-JGVFFNPUSA-N 0 0 178.235 2.616 10 0 AFAERN CC(C)=Cc1nnc([C@H]2C[C@@H]2C)o1 306337045 1169472498 /nfs/dbraw/zinc/47/24/98/1169472498.db2.gz TUCXACGYNFOXKS-YUMQZZPRSA-N 0 0 178.235 2.616 10 0 AFAERN Cc1noc(C2CC2)c1NCC(C)C 306375840 1169473375 /nfs/dbraw/zinc/47/33/75/1169473375.db2.gz YMFOQMMHUWOQOR-UHFFFAOYSA-N 0 0 194.278 2.928 10 0 AFAERN CC(C)[C@H](C)Oc1ccc(F)nc1 306369251 1169473512 /nfs/dbraw/zinc/47/35/12/1169473512.db2.gz LDAYJGYFIGYOHN-QMMMGPOBSA-N 0 0 183.226 2.644 10 0 AFAERN CC(C)[C@@H](C)Oc1ccc(F)nc1 306369249 1169473658 /nfs/dbraw/zinc/47/36/58/1169473658.db2.gz LDAYJGYFIGYOHN-MRVPVSSYSA-N 0 0 183.226 2.644 10 0 AFAERN c1ccc2ncc(OC3CC3)cc2c1 306358983 1169474673 /nfs/dbraw/zinc/47/46/73/1169474673.db2.gz AVLUXGSRWWSPKA-UHFFFAOYSA-N 0 0 185.226 2.776 10 0 AFAERN CCCNc1ccc(C2CCC2)nn1 306383305 1169476092 /nfs/dbraw/zinc/47/60/92/1169476092.db2.gz VHVOVNLKWNGPHR-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN Clc1csc(CN2CCC2)c1 306401251 1169476989 /nfs/dbraw/zinc/47/69/89/1169476989.db2.gz BUUMFXOIYNKNEB-UHFFFAOYSA-N 0 0 187.695 2.607 10 0 AFAERN Cc1ccncc1OC1CCCC1 306435298 1169480258 /nfs/dbraw/zinc/48/02/58/1169480258.db2.gz FJQBGJAOYZTLEU-UHFFFAOYSA-N 0 0 177.247 2.711 10 0 AFAERN C[C@@H]1CCC[C@@H](C)N1CC(F)(F)F 306458235 1169481379 /nfs/dbraw/zinc/48/13/79/1169481379.db2.gz YGPVOCCFOKHMJE-HTQZYQBOSA-N 0 0 195.228 2.812 10 0 AFAERN Cc1cc(C(=O)OC2CC2)sc1C 306457952 1169481502 /nfs/dbraw/zinc/48/15/02/1169481502.db2.gz XDMLBPLTFHLDAM-UHFFFAOYSA-N 0 0 196.271 2.684 10 0 AFAERN Cc1ccc(CN2CCCCO2)s1 306457541 1169481565 /nfs/dbraw/zinc/48/15/65/1169481565.db2.gz VMYLSBOUDKLYPB-UHFFFAOYSA-N 0 0 197.303 2.584 10 0 AFAERN CC(C)(C)[C@H](O)CNc1ccsc1 306717959 1169488519 /nfs/dbraw/zinc/48/85/19/1169488519.db2.gz GZLLZTHJCBBHIQ-SECBINFHSA-N 0 0 199.319 2.567 10 0 AFAERN CC(C)(C)[C@@H](O)CNc1ccsc1 306717960 1169488535 /nfs/dbraw/zinc/48/85/35/1169488535.db2.gz GZLLZTHJCBBHIQ-VIFPVBQESA-N 0 0 199.319 2.567 10 0 AFAERN CC(=O)c1ccc(OC2CC2)c(C)c1 306712059 1169488540 /nfs/dbraw/zinc/48/85/40/1169488540.db2.gz SRQSLRQWUQGRIN-UHFFFAOYSA-N 0 0 190.242 2.739 10 0 AFAERN Cc1ccc(O)cc1-c1cccnc1 306859316 1169492217 /nfs/dbraw/zinc/49/22/17/1169492217.db2.gz BONLNGFLMDBEMR-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1cccnc1OC(C)(C)C 306965455 1169494413 /nfs/dbraw/zinc/49/44/13/1169494413.db2.gz NPVQIJHCNUTGMF-UHFFFAOYSA-N 0 0 165.236 2.567 10 0 AFAERN COC(=O)Nc1csc(Cl)c1 306966613 1169495236 /nfs/dbraw/zinc/49/52/36/1169495236.db2.gz OSHYTZARVLUDCQ-UHFFFAOYSA-N 0 0 191.639 2.580 10 0 AFAERN CC/C(C)=C(\C)c1nnc(CC)o1 307050542 1169499609 /nfs/dbraw/zinc/49/96/09/1169499609.db2.gz HZAWRJWSJTZVCQ-BQYQJAHWSA-N 0 0 180.251 2.835 10 0 AFAERN Cc1nnc(S[C@@H]2CC[C@@H](C)C2)o1 307095676 1169500595 /nfs/dbraw/zinc/50/05/95/1169500595.db2.gz CNPWMTABBPWJLO-HTRCEHHLSA-N 0 0 198.291 2.659 10 0 AFAERN Cc1nnc(S[C@@H]2CC[C@H](C)C2)o1 307095677 1169500900 /nfs/dbraw/zinc/50/09/00/1169500900.db2.gz CNPWMTABBPWJLO-POYBYMJQSA-N 0 0 198.291 2.659 10 0 AFAERN CCc1ccncc1-c1cccnc1 307079086 1169501433 /nfs/dbraw/zinc/50/14/33/1169501433.db2.gz HQOLQDGCVNGBBF-UHFFFAOYSA-N 0 0 184.242 2.706 10 0 AFAERN Cc1nnc(S[C@H]2CC[C@H](C)C2)o1 307095679 1169501849 /nfs/dbraw/zinc/50/18/49/1169501849.db2.gz CNPWMTABBPWJLO-XPUUQOCRSA-N 0 0 198.291 2.659 10 0 AFAERN Cc1nnc(S[C@H]2CC[C@@H](C)C2)o1 307095678 1169502486 /nfs/dbraw/zinc/50/24/86/1169502486.db2.gz CNPWMTABBPWJLO-SVRRBLITSA-N 0 0 198.291 2.659 10 0 AFAERN Cc1cccc(-c2ccoc2C)n1 307076526 1169502952 /nfs/dbraw/zinc/50/29/52/1169502952.db2.gz FUVNLIRDWYGDSI-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Clc1ccsc1CN1CCC1 307193553 1169506236 /nfs/dbraw/zinc/50/62/36/1169506236.db2.gz NZSFSWFKKIGXFH-UHFFFAOYSA-N 0 0 187.695 2.607 10 0 AFAERN CCCc1nnc(C2=CCCC2)o1 307212089 1169506316 /nfs/dbraw/zinc/50/63/16/1169506316.db2.gz UVGIJWBQZLSMMR-UHFFFAOYSA-N 0 0 178.235 2.589 10 0 AFAERN CC[C@@H](C)N1CC[C@H](C)C(F)(F)C1 307208938 1169506332 /nfs/dbraw/zinc/50/63/32/1169506332.db2.gz OWDVGMGDYRYHAX-DTWKUNHWSA-N 0 0 191.265 2.762 10 0 AFAERN CC[C@@H](C)N1CC[C@@H](C)C(F)(F)C1 307208940 1169506807 /nfs/dbraw/zinc/50/68/07/1169506807.db2.gz OWDVGMGDYRYHAX-RKDXNWHRSA-N 0 0 191.265 2.762 10 0 AFAERN CCCc1nnc([C@@H]2CC2(C)C)o1 307207325 1169507901 /nfs/dbraw/zinc/50/79/01/1169507901.db2.gz IHOQWEIYUPEBBF-ZETCQYMHSA-N 0 0 180.251 2.536 10 0 AFAERN CCCc1nnc([C@H]2CC2(C)C)o1 307207324 1169507916 /nfs/dbraw/zinc/50/79/16/1169507916.db2.gz IHOQWEIYUPEBBF-SSDOTTSWSA-N 0 0 180.251 2.536 10 0 AFAERN CC[C@H](C)N1CC[C@H](C)C(F)(F)C1 307208939 1169507925 /nfs/dbraw/zinc/50/79/25/1169507925.db2.gz OWDVGMGDYRYHAX-IUCAKERBSA-N 0 0 191.265 2.762 10 0 AFAERN FC1CN(C2CCCCCCC2)C1 307206886 1169508058 /nfs/dbraw/zinc/50/80/58/1169508058.db2.gz LWJRRJSPVFNZCJ-UHFFFAOYSA-N 0 0 185.286 2.753 10 0 AFAERN CCCCN1CC[C@@H](C)C(F)(F)C1 307209553 1169508386 /nfs/dbraw/zinc/50/83/86/1169508386.db2.gz KHHHNVQZOGIUIA-SECBINFHSA-N 0 0 191.265 2.764 10 0 AFAERN CCCCN1CC[C@H](C)C(F)(F)C1 307209556 1169508782 /nfs/dbraw/zinc/50/87/82/1169508782.db2.gz KHHHNVQZOGIUIA-VIFPVBQESA-N 0 0 191.265 2.764 10 0 AFAERN CC[C@H](C)N1CC[C@@H](C)C(F)(F)C1 307208937 1169508882 /nfs/dbraw/zinc/50/88/82/1169508882.db2.gz OWDVGMGDYRYHAX-BDAKNGLRSA-N 0 0 191.265 2.762 10 0 AFAERN CC(C)[C@H](C)Oc1ccccc1O 307259431 1169512748 /nfs/dbraw/zinc/51/27/48/1169512748.db2.gz GFMUWQHWIYCZOR-VIFPVBQESA-N 0 0 180.247 2.816 10 0 AFAERN CC(C)[C@@H](C)Oc1ccccc1O 307259430 1169512955 /nfs/dbraw/zinc/51/29/55/1169512955.db2.gz GFMUWQHWIYCZOR-SECBINFHSA-N 0 0 180.247 2.816 10 0 AFAERN C[C@H](CC(C)(C)C)Nc1nncs1 307295032 1169513343 /nfs/dbraw/zinc/51/33/43/1169513343.db2.gz CWXNVILTNKNWMO-SSDOTTSWSA-N 0 0 199.323 2.775 10 0 AFAERN C[C@@H](CC(C)(C)C)Nc1nncs1 307295033 1169513364 /nfs/dbraw/zinc/51/33/64/1169513364.db2.gz CWXNVILTNKNWMO-ZETCQYMHSA-N 0 0 199.323 2.775 10 0 AFAERN Cc1cc(C)c(-c2nccs2)cn1 307352881 1169517028 /nfs/dbraw/zinc/51/70/28/1169517028.db2.gz VRIYONATTXOHTN-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1ncc2c(C)c(C)sc2n1 307353785 1169517079 /nfs/dbraw/zinc/51/70/79/1169517079.db2.gz CZWWBTPUYKHMSG-UHFFFAOYSA-N 0 0 178.260 2.617 10 0 AFAERN CC(C)[C@H](C)Oc1ccc(O)cc1 307415087 1169519983 /nfs/dbraw/zinc/51/99/83/1169519983.db2.gz XIPUMXULDPSKFG-VIFPVBQESA-N 0 0 180.247 2.816 10 0 AFAERN CC(C)[C@@H](C)Oc1ccc(O)cc1 307415086 1169520749 /nfs/dbraw/zinc/52/07/49/1169520749.db2.gz XIPUMXULDPSKFG-SECBINFHSA-N 0 0 180.247 2.816 10 0 AFAERN Cc1ncccc1-c1ccoc1 307441732 1169521768 /nfs/dbraw/zinc/52/17/68/1169521768.db2.gz NPYBDKIXJBOLAZ-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN CC[C@@H](C)n1nc(NC(C)C)cc1C 307475236 1169523157 /nfs/dbraw/zinc/52/31/57/1169523157.db2.gz BBXBNVTUCTULLU-SECBINFHSA-N 0 0 195.310 2.983 10 0 AFAERN Fc1cncc(Cc2ccccc2)c1 307470939 1169523539 /nfs/dbraw/zinc/52/35/39/1169523539.db2.gz WGORLKYXBSNLIT-UHFFFAOYSA-N 0 0 187.217 2.812 10 0 AFAERN C1=C(CC2CCOCC2)CCC1 307495773 1169523620 /nfs/dbraw/zinc/52/36/20/1169523620.db2.gz JKWGLXIKQBMQQF-UHFFFAOYSA-N 0 0 166.264 2.913 10 0 AFAERN CC[C@H](C)n1nc(NC(C)C)cc1C 307475237 1169523721 /nfs/dbraw/zinc/52/37/21/1169523721.db2.gz BBXBNVTUCTULLU-VIFPVBQESA-N 0 0 195.310 2.983 10 0 AFAERN C1=C(Cc2cccnc2)CCC1 307547612 1169526396 /nfs/dbraw/zinc/52/63/96/1169526396.db2.gz TVEUSMQBLUQGJB-UHFFFAOYSA-N 0 0 159.232 2.734 10 0 AFAERN C1=C(CC2CC2)CCC1 307573667 1169528074 /nfs/dbraw/zinc/52/80/74/1169528074.db2.gz BEYMUANLRZCSAB-UHFFFAOYSA-N 0 0 122.211 2.897 10 0 AFAERN C[C@@H](CC1CC1)N1CCC(F)(F)C1 307571853 1169528484 /nfs/dbraw/zinc/52/84/84/1169528484.db2.gz FGAVUFHLEIPJRC-QMMMGPOBSA-N 0 0 189.249 2.516 10 0 AFAERN C[C@H](CC1CC1)N1CCC(F)(F)C1 307571852 1169529312 /nfs/dbraw/zinc/52/93/12/1169529312.db2.gz FGAVUFHLEIPJRC-MRVPVSSYSA-N 0 0 189.249 2.516 10 0 AFAERN CCC1CCC(N2CC(F)C2)CC1 307575861 1169529655 /nfs/dbraw/zinc/52/96/55/1169529655.db2.gz JOLVAILMZJJROE-UHFFFAOYSA-N 0 0 185.286 2.609 10 0 AFAERN Cc1nnc(C=C2CCCCC2)o1 307632948 1169533434 /nfs/dbraw/zinc/53/34/34/1169533434.db2.gz QLDKXTXCAQGNHX-UHFFFAOYSA-N 0 0 178.235 2.726 10 0 AFAERN CN(C)Cc1cc(F)ccc1Cl 307625997 1169534026 /nfs/dbraw/zinc/53/40/26/1169534026.db2.gz HBSHDJRNOALGGJ-UHFFFAOYSA-N 0 0 187.645 2.541 10 0 AFAERN c1ncc(C2CCCC2)s1 307635246 1169534230 /nfs/dbraw/zinc/53/42/30/1169534230.db2.gz RFBQKBCUYYWKAQ-UHFFFAOYSA-N 0 0 153.250 2.801 10 0 AFAERN Fc1c(Cl)cccc1CN1CCC1 307626158 1169534379 /nfs/dbraw/zinc/53/43/79/1169534379.db2.gz TYTMDVKJUJEVHL-UHFFFAOYSA-N 0 0 199.656 2.685 10 0 AFAERN Fc1ccc(CN2CCC2)c(Cl)c1 307717586 1169540318 /nfs/dbraw/zinc/54/03/18/1169540318.db2.gz JWOLSTOXHNMSEE-UHFFFAOYSA-N 0 0 199.656 2.685 10 0 AFAERN Cc1ccc(-c2cscn2)nc1 307749686 1169541372 /nfs/dbraw/zinc/54/13/72/1169541372.db2.gz HOOOIFCVCZWQIS-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN CC(C)CN1CC[C@H](C)C(F)(F)C1 307743185 1169541594 /nfs/dbraw/zinc/54/15/94/1169541594.db2.gz LQOQJYUZEQORCD-VIFPVBQESA-N 0 0 191.265 2.620 10 0 AFAERN Cc1ccnc(-c2cscn2)c1 307751816 1169542255 /nfs/dbraw/zinc/54/22/55/1169542255.db2.gz PLKDPHIDYRFVOW-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1nn(C)c(C)c1CCC(C)C 307751862 1169543189 /nfs/dbraw/zinc/54/31/89/1169543189.db2.gz PQSBTPKNDGNEGF-UHFFFAOYSA-N 0 0 180.295 2.626 10 0 AFAERN CC(C)CN1CC[C@@H](C)C(F)(F)C1 307743183 1169543237 /nfs/dbraw/zinc/54/32/37/1169543237.db2.gz LQOQJYUZEQORCD-SECBINFHSA-N 0 0 191.265 2.620 10 0 AFAERN CCCc1ccn(CC=C(C)C)n1 308169426 1169545955 /nfs/dbraw/zinc/54/59/55/1169545955.db2.gz AVNGWHYIBHBUEA-UHFFFAOYSA-N 0 0 178.279 2.802 10 0 AFAERN CC/C=C(\C)c1nnc(CCC)o1 308479473 1169549915 /nfs/dbraw/zinc/54/99/15/1169549915.db2.gz MVENQOZDGOKKQD-SOFGYWHQSA-N 0 0 180.251 2.835 10 0 AFAERN CC[C@@H](C)[C@H](C)Oc1cccnc1 319618719 1169555458 /nfs/dbraw/zinc/55/54/58/1169555458.db2.gz ZUHOOFAMUPKTMG-ZJUUUORDSA-N 0 0 179.263 2.895 10 0 AFAERN CC[C@H](C)[C@@H](C)Oc1cccnc1 319618718 1169555686 /nfs/dbraw/zinc/55/56/86/1169555686.db2.gz ZUHOOFAMUPKTMG-VHSXEESVSA-N 0 0 179.263 2.895 10 0 AFAERN CC[C@H](C)[C@H](C)Oc1cccnc1 319618717 1169555789 /nfs/dbraw/zinc/55/57/89/1169555789.db2.gz ZUHOOFAMUPKTMG-UWVGGRQHSA-N 0 0 179.263 2.895 10 0 AFAERN CC[C@@H](C)[C@@H](C)Oc1cccnc1 319618716 1169556017 /nfs/dbraw/zinc/55/60/17/1169556017.db2.gz ZUHOOFAMUPKTMG-NXEZZACHSA-N 0 0 179.263 2.895 10 0 AFAERN Cc1cc(C#N)ccc1N1CC=CCC1 378781039 1169561354 /nfs/dbraw/zinc/56/13/54/1169561354.db2.gz HNSMFLLXPOKXIB-UHFFFAOYSA-N 0 0 198.269 2.633 10 0 AFAERN CC(C)CC[NH2+]C(C)(C)C(F)F 379315988 1169568824 /nfs/dbraw/zinc/56/88/24/1169568824.db2.gz WCCMIIUBVNTSFS-UHFFFAOYSA-N 0 0 179.254 2.666 10 0 AFAERN C/C=C(\C)c1nnc([C@@H]2C[C@@H]2C)o1 379358711 1169575483 /nfs/dbraw/zinc/57/54/83/1169575483.db2.gz WEZLDUGAHKPFNM-VJYOWIMYSA-N 0 0 178.235 2.616 10 0 AFAERN C/C=C(\C)c1nnc([C@@H]2C[C@H]2C)o1 379358710 1169576780 /nfs/dbraw/zinc/57/67/80/1169576780.db2.gz WEZLDUGAHKPFNM-CTDODENGSA-N 0 0 178.235 2.616 10 0 AFAERN CCCc1nnc([C@@H](C)CCC)o1 379383207 1169578356 /nfs/dbraw/zinc/57/83/56/1169578356.db2.gz KGYVQYUUMQIVGD-QMMMGPOBSA-N 0 0 182.267 2.926 10 0 AFAERN CCCc1nnc([C@H](C)CCC)o1 379383206 1169578820 /nfs/dbraw/zinc/57/88/20/1169578820.db2.gz KGYVQYUUMQIVGD-MRVPVSSYSA-N 0 0 182.267 2.926 10 0 AFAERN CCc1nnc(/C=C\C(C)(C)C)o1 379409325 1169582105 /nfs/dbraw/zinc/58/21/05/1169582105.db2.gz CRDMSOJZCVVELD-SREVYHEPSA-N 0 0 180.251 2.691 10 0 AFAERN CCCCCc1nnc(C(F)F)o1 379407403 1169583134 /nfs/dbraw/zinc/58/31/34/1169583134.db2.gz YPGMODVTJWSKKF-UHFFFAOYSA-N 0 0 190.193 2.740 10 0 AFAERN CCCOC(=O)N1CC[C@@H](C)C[C@@H]1C 379544998 1169585722 /nfs/dbraw/zinc/58/57/22/1169585722.db2.gz VJKUUCIERFKITE-ZJUUUORDSA-N 0 0 199.294 2.653 10 0 AFAERN CCCOC(=O)N1CC[C@H](C)C[C@H]1C 379544997 1169585773 /nfs/dbraw/zinc/58/57/73/1169585773.db2.gz VJKUUCIERFKITE-VHSXEESVSA-N 0 0 199.294 2.653 10 0 AFAERN CCCOC(=O)NC1CCC(C)CC1 379514541 1169586340 /nfs/dbraw/zinc/58/63/40/1169586340.db2.gz WOJGMFDWEVELPQ-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CCCOC(=O)N1CC[C@H](C)C[C@@H]1C 379544995 1169587539 /nfs/dbraw/zinc/58/75/39/1169587539.db2.gz VJKUUCIERFKITE-UWVGGRQHSA-N 0 0 199.294 2.653 10 0 AFAERN COC[C@H](C)Oc1ccc(C)c(C)c1 379580950 1169588876 /nfs/dbraw/zinc/58/88/76/1169588876.db2.gz KATGTCWZUWSABE-NSHDSACASA-N 0 0 194.274 2.717 10 0 AFAERN Cc1ccc(O)cc1Cc1cccnc1 383521355 1169604390 /nfs/dbraw/zinc/60/43/90/1169604390.db2.gz VLRUEIGGYJVKHM-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN Cc1ccc(O)cc1Cc1ccccn1 383430512 1169605140 /nfs/dbraw/zinc/60/51/40/1169605140.db2.gz CIBNZYPKLMBNJT-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN Cc1ccc(O)cc1Cc1ccncc1 383519647 1169605472 /nfs/dbraw/zinc/60/54/72/1169605472.db2.gz UYIORRQWWBXDTM-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN C=Cc1cc(OC)c(OCC)cc1F 382685281 1169605561 /nfs/dbraw/zinc/60/55/61/1169605561.db2.gz IQNQMTVRPWMICL-UHFFFAOYSA-N 0 0 196.221 2.876 10 0 AFAERN Cc1nnc(-c2cccc3[nH]ccc23)o1 382688681 1169606083 /nfs/dbraw/zinc/60/60/83/1169606083.db2.gz OEEZLXOFPLRQBL-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN CS/C=C\c1nnc(CC(C)C)o1 388256054 1169622305 /nfs/dbraw/zinc/62/23/05/1169622305.db2.gz BKWAPONHDSPVBU-PLNGDYQASA-N 0 0 198.291 2.602 10 0 AFAERN CCCN(CC)C(=O)OCC(C)C 388291250 1169621541 /nfs/dbraw/zinc/62/15/41/1169621541.db2.gz WFRKUMFRSYOEGK-UHFFFAOYSA-N 0 0 187.283 2.511 10 0 AFAERN CS/C=C/c1nnc(CC(C)C)o1 388256055 1169622624 /nfs/dbraw/zinc/62/26/24/1169622624.db2.gz BKWAPONHDSPVBU-SNAWJCMRSA-N 0 0 198.291 2.602 10 0 AFAERN C/C=C/C=C/c1nnc(CCC)o1 388323743 1169624662 /nfs/dbraw/zinc/62/46/62/1169624662.db2.gz YNQLQIMOJFFTCN-QFXXITGJSA-N 0 0 178.235 2.611 10 0 AFAERN CCCCc1nnc([C@@H]2C[C@@H]2C)o1 388598914 1169628960 /nfs/dbraw/zinc/62/89/60/1169628960.db2.gz DXVDLDIWRFXXJP-JGVFFNPUSA-N 0 0 180.251 2.536 10 0 AFAERN CCCCc1nnc([C@H]2C[C@@H]2C)o1 388598916 1169629047 /nfs/dbraw/zinc/62/90/47/1169629047.db2.gz DXVDLDIWRFXXJP-YUMQZZPRSA-N 0 0 180.251 2.536 10 0 AFAERN CCCCc1nnc([C@@H]2C[C@H]2C)o1 388598913 1169629214 /nfs/dbraw/zinc/62/92/14/1169629214.db2.gz DXVDLDIWRFXXJP-HTQZYQBOSA-N 0 0 180.251 2.536 10 0 AFAERN CCCCCC[C@H](C)N1CC(F)C1 388620007 1169629404 /nfs/dbraw/zinc/62/94/04/1169629404.db2.gz FDBRDHSBJYWFAS-JTQLQIEISA-N 0 0 187.302 2.999 10 0 AFAERN CCCc1nnc(C(CC)CC)o1 388593836 1169629670 /nfs/dbraw/zinc/62/96/70/1169629670.db2.gz BSTQRNFPIJKFSF-UHFFFAOYSA-N 0 0 182.267 2.926 10 0 AFAERN CCCCCC[C@@H](C)N1CC(F)C1 388620008 1169630219 /nfs/dbraw/zinc/63/02/19/1169630219.db2.gz FDBRDHSBJYWFAS-SNVBAGLBSA-N 0 0 187.302 2.999 10 0 AFAERN CCCCc1nnc([C@H]2C[C@H]2C)o1 388598915 1169630602 /nfs/dbraw/zinc/63/06/02/1169630602.db2.gz DXVDLDIWRFXXJP-SFYZADRCSA-N 0 0 180.251 2.536 10 0 AFAERN C1CCC(CCCN2CCCO2)C1 388649248 1169631375 /nfs/dbraw/zinc/63/13/75/1169631375.db2.gz RGXQNNMGNPFFIU-UHFFFAOYSA-N 0 0 183.295 2.594 10 0 AFAERN CC/C(C)=C(/C)c1nnc(CC)o1 388775804 1169633130 /nfs/dbraw/zinc/63/31/30/1169633130.db2.gz HZAWRJWSJTZVCQ-FPLPWBNLSA-N 0 0 180.251 2.835 10 0 AFAERN CON=C(C)Cc1ccccc1Cl 388756803 1169634351 /nfs/dbraw/zinc/63/43/51/1169634351.db2.gz CYULZQMGLHSGAS-UHFFFAOYSA-N 0 0 197.665 2.905 10 0 AFAERN Cc1ccnc(-c2ccccc2C#N)c1 389592507 1169638322 /nfs/dbraw/zinc/63/83/22/1169638322.db2.gz MWGDEGLNGHNQLE-UHFFFAOYSA-N 0 0 194.237 2.929 10 0 AFAERN CCc1csc(CN(CC)CC)n1 393333402 1169643779 /nfs/dbraw/zinc/64/37/79/1169643779.db2.gz XJKWIOOCXLLDBX-UHFFFAOYSA-N 0 0 198.335 2.547 10 0 AFAERN Cc1nnc(-c2ccc3cc[nH]c3c2)o1 394609570 1169649011 /nfs/dbraw/zinc/64/90/11/1169649011.db2.gz HDLOPIMKBXFUDE-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN Cc1cnc(-c2ccccc2N)c(C)c1 394879312 1169649822 /nfs/dbraw/zinc/64/98/22/1169649822.db2.gz YXKSEBIVGHPCHM-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cnc(-c2ccc(N)cc2)c(C)c1 394861834 1169651144 /nfs/dbraw/zinc/65/11/44/1169651144.db2.gz MNLYYEFLBJDQKL-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN COc1cncc(Cc2ccccc2)c1 396125534 1169656476 /nfs/dbraw/zinc/65/64/76/1169656476.db2.gz APWJKGVKEBLBIE-UHFFFAOYSA-N 0 0 199.253 2.681 10 0 AFAERN Cc1cnccc1-c1cccc(CO)c1 404791390 1169682602 /nfs/dbraw/zinc/68/26/02/1169682602.db2.gz HJYMGFBFYJGTRN-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN C[C@@H](O)c1cccc(-c2ccncc2)c1 404842742 1169682735 /nfs/dbraw/zinc/68/27/35/1169682735.db2.gz MNODIRCTRMKDEU-SNVBAGLBSA-N 0 0 199.253 2.802 10 0 AFAERN Cc1cnccc1-c1ccc(CO)cc1 404792111 1169682792 /nfs/dbraw/zinc/68/27/92/1169682792.db2.gz HOSFPUCZHYKQCZ-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN C[C@@H](O)c1ccc(-c2ccncc2)cc1 404752445 1169682861 /nfs/dbraw/zinc/68/28/61/1169682861.db2.gz XSQHVTKURZJZAH-SNVBAGLBSA-N 0 0 199.253 2.802 10 0 AFAERN Cc1ccncc1-c1ccc(CO)cc1 404792240 1169683343 /nfs/dbraw/zinc/68/33/43/1169683343.db2.gz RRNICDKNZTUCLL-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN C[C@H](O)c1cccc(-c2ccncc2)c1 404842741 1169683409 /nfs/dbraw/zinc/68/34/09/1169683409.db2.gz MNODIRCTRMKDEU-JTQLQIEISA-N 0 0 199.253 2.802 10 0 AFAERN C[C@H](O)c1ccc(-c2ccncc2)cc1 404752444 1169684018 /nfs/dbraw/zinc/68/40/18/1169684018.db2.gz XSQHVTKURZJZAH-JTQLQIEISA-N 0 0 199.253 2.802 10 0 AFAERN CC(C)(C)OC(=O)CCc1ccoc1 405942568 1169685633 /nfs/dbraw/zinc/68/56/33/1169685633.db2.gz VFMZXSWPKOFIAU-UHFFFAOYSA-N 0 0 196.246 2.554 10 0 AFAERN N#CNc1cccc(C2CCC2)c1 606253251 1169690631 /nfs/dbraw/zinc/69/06/31/1169690631.db2.gz WGGWUPDFDAVDPL-UHFFFAOYSA-N 0 0 172.231 2.847 10 0 AFAERN CC(=O)Nc1cccc(C2CC2)c1 606252776 1169690739 /nfs/dbraw/zinc/69/07/39/1169690739.db2.gz IWPJLGJYIHRRLT-UHFFFAOYSA-N 0 0 175.231 2.522 10 0 AFAERN Cc1ccccc1-c1cnc(F)nc1 606259899 1169691786 /nfs/dbraw/zinc/69/17/86/1169691786.db2.gz IDXMYGNTERNZTK-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN COC(=O)Nc1cccc(C2CC2)c1 606263085 1169691963 /nfs/dbraw/zinc/69/19/63/1169691963.db2.gz YPNKSUFKUITECB-UHFFFAOYSA-N 0 0 191.230 2.742 10 0 AFAERN Cc1cccc(-c2cnc(F)nc2)c1 606259900 1169692105 /nfs/dbraw/zinc/69/21/05/1169692105.db2.gz IHLXECAAGARPLB-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN COC(=O)Nc1ccc(C2CC2)cc1 606262974 1169692130 /nfs/dbraw/zinc/69/21/30/1169692130.db2.gz PRNRUUILEGWWFA-UHFFFAOYSA-N 0 0 191.230 2.742 10 0 AFAERN C[C@@H](Nc1ccc(F)cn1)C1(C)CC1 606268804 1169693112 /nfs/dbraw/zinc/69/31/12/1169693112.db2.gz HBPNEOALSRDSFF-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN C[C@@H](Nc1ncccc1F)C1(C)CC1 606268812 1169693312 /nfs/dbraw/zinc/69/33/12/1169693312.db2.gz IJCGSJZLANWRGW-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN C[C@H](Nc1ncccc1F)C1(C)CC1 606268813 1169693318 /nfs/dbraw/zinc/69/33/18/1169693318.db2.gz IJCGSJZLANWRGW-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN CC(C)=CC(=O)N1CC(C)(C)C1(C)C 606268885 1169693646 /nfs/dbraw/zinc/69/36/46/1169693646.db2.gz DJXFZSFAHBHWEV-UHFFFAOYSA-N 0 0 195.306 2.600 10 0 AFAERN C[C@H](Nc1ccc(F)cn1)C1(C)CC1 606268805 1169693680 /nfs/dbraw/zinc/69/36/80/1169693680.db2.gz HBPNEOALSRDSFF-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN Clc1sccc1Cn1ccnc1 606272759 1169695368 /nfs/dbraw/zinc/69/53/68/1169695368.db2.gz UVHDDNICNGGAEI-UHFFFAOYSA-N 0 0 198.678 2.646 10 0 AFAERN CCCNc1nc(Cl)nc(C)c1C 669368390 1169698640 /nfs/dbraw/zinc/69/86/40/1169698640.db2.gz KIQCDOPWLYAYTI-UHFFFAOYSA-N 0 0 199.685 2.569 10 0 AFAERN CCC[C@H](C)Nc1nccnc1CC 700168886 1169700049 /nfs/dbraw/zinc/70/00/49/1169700049.db2.gz RGAHTSFIGYVQBD-VIFPVBQESA-N 0 0 193.294 2.640 10 0 AFAERN CC(C)CC1=CCC2(CC1)OCCO2 700752517 1169702058 /nfs/dbraw/zinc/70/20/58/1169702058.db2.gz SZGOBGRXDMGZOG-UHFFFAOYSA-N 0 0 196.290 2.886 10 0 AFAERN OCc1ccc(CC2CCC2)cc1 701849662 1169703940 /nfs/dbraw/zinc/70/39/40/1169703940.db2.gz SGKWIEZRMSSEMG-UHFFFAOYSA-N 0 0 176.259 2.522 10 0 AFAERN COCOc1cccc(Cl)c1C 702642123 1169705815 /nfs/dbraw/zinc/70/58/15/1169705815.db2.gz CNQCWHURTKWVMZ-UHFFFAOYSA-N 0 0 186.638 2.631 10 0 AFAERN OCc1cccc(CC2CCC2)c1 702507566 1169706032 /nfs/dbraw/zinc/70/60/32/1169706032.db2.gz WOZJMDQATFHERB-UHFFFAOYSA-N 0 0 176.259 2.522 10 0 AFAERN CC(C)=CCCOC1CCC(O)CC1 704923261 1169707263 /nfs/dbraw/zinc/70/72/63/1169707263.db2.gz MOKWPUYKRQLNBP-UHFFFAOYSA-N 0 0 198.306 2.663 10 0 AFAERN Cn1ccc(-c2ccc3[nH]ccc3c2)n1 705924636 1169710728 /nfs/dbraw/zinc/71/07/28/1169710728.db2.gz BWJQRBSGPUNPTO-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN Cn1cc(-c2ccc3[nH]ccc3c2)cn1 705924823 1169711127 /nfs/dbraw/zinc/71/11/27/1169711127.db2.gz VKHRVZIOXQMWBO-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN Cn1cc(-c2cccc3[nH]ccc23)cn1 705958093 1169711343 /nfs/dbraw/zinc/71/13/43/1169711343.db2.gz PKIUEZIUMREQCQ-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN Cn1ccc(-c2ccc3cc[nH]c3c2)n1 705915508 1169711360 /nfs/dbraw/zinc/71/13/60/1169711360.db2.gz VJQTZHIPMLPSEH-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN Cn1cc(-c2cccc3cc[nH]c23)cn1 705916422 1169711788 /nfs/dbraw/zinc/71/17/88/1169711788.db2.gz VPHGCKAKUFMDGM-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN Cn1ccc(-c2cccc3[nH]ccc23)n1 705959384 1169712380 /nfs/dbraw/zinc/71/23/80/1169712380.db2.gz XYZBNVNPYJBZAZ-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN C=Cc1cc2cc(OC)ccc2cn1 705884058 1169712410 /nfs/dbraw/zinc/71/24/10/1169712410.db2.gz LTUQILGDXXGBPL-UHFFFAOYSA-N 0 0 185.226 2.886 10 0 AFAERN C[C@@H](NC(=O)OC(C)(C)C)C1(C)CC1 706547424 1169713309 /nfs/dbraw/zinc/71/33/09/1169713309.db2.gz JVGARFCIOWGVAK-MRVPVSSYSA-N 0 0 199.294 2.700 10 0 AFAERN CCCCOC(=O)[C@@H]1CCCC12CC2 706302940 1169714113 /nfs/dbraw/zinc/71/41/13/1169714113.db2.gz QEBPARHQGJXXPO-JTQLQIEISA-N 0 0 196.290 2.910 10 0 AFAERN CCCCOC(=O)[C@H]1CCCC12CC2 706302941 1169714167 /nfs/dbraw/zinc/71/41/67/1169714167.db2.gz QEBPARHQGJXXPO-SNVBAGLBSA-N 0 0 196.290 2.910 10 0 AFAERN C[C@H](NC(=O)OC(C)(C)C)C1(C)CC1 706547428 1169714601 /nfs/dbraw/zinc/71/46/01/1169714601.db2.gz JVGARFCIOWGVAK-QMMMGPOBSA-N 0 0 199.294 2.700 10 0 AFAERN CCCOC(=O)[C@@H]1CCCC12CC2 706293060 1169715841 /nfs/dbraw/zinc/71/58/41/1169715841.db2.gz FQRDZGBHNIOTHA-VIFPVBQESA-N 0 0 182.263 2.520 10 0 AFAERN CCCOC(=O)[C@H]1CCCC12CC2 706293059 1169715942 /nfs/dbraw/zinc/71/59/42/1169715942.db2.gz FQRDZGBHNIOTHA-SECBINFHSA-N 0 0 182.263 2.520 10 0 AFAERN Cn1ccc(-c2cccc3cc[nH]c23)n1 706675795 1169716301 /nfs/dbraw/zinc/71/63/01/1169716301.db2.gz WHYIOWCJLYHBOG-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN Cc1cc(C)nc(-c2ccc(N)cc2)c1 707941632 1169716862 /nfs/dbraw/zinc/71/68/62/1169716862.db2.gz OVTBNVQDERMXCA-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCCc1cccc(F)c1O 706980060 1169716889 /nfs/dbraw/zinc/71/68/89/1169716889.db2.gz LZMMUYYBXGJCOQ-UHFFFAOYSA-N 0 0 168.211 2.874 10 0 AFAERN O=c1[nH]c2ccccc2cc1C1CC1 709638602 1169727440 /nfs/dbraw/zinc/72/74/40/1169727440.db2.gz MRWIAUTYKBGYBW-UHFFFAOYSA-N 0 0 185.226 2.818 10 0 AFAERN CC(C)Oc1cc(F)cc(N(C)C)c1 709924004 1169726964 /nfs/dbraw/zinc/72/69/64/1169726964.db2.gz FEZQRZZDJGNBGD-UHFFFAOYSA-N 0 0 197.253 2.679 10 0 AFAERN Cc1ncc(-c2cccc(F)c2)cn1 709881323 1169727074 /nfs/dbraw/zinc/72/70/74/1169727074.db2.gz HJGJLAWNFUENGY-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN COc1ccc(C)cc1CC1CC1 709923681 1169727180 /nfs/dbraw/zinc/72/71/80/1169727180.db2.gz QFFQKFIPSUVYCX-UHFFFAOYSA-N 0 0 176.259 2.956 10 0 AFAERN Fc1ccc(F)c(CC2CC2)c1 709899292 1169727271 /nfs/dbraw/zinc/72/72/71/1169727271.db2.gz WXSDCZWMZPMSCE-UHFFFAOYSA-N 0 0 168.186 2.917 10 0 AFAERN COc1cc(CC2CC2)ccc1C 709923845 1169727662 /nfs/dbraw/zinc/72/76/62/1169727662.db2.gz UEHFYSUXBJTKOV-UHFFFAOYSA-N 0 0 176.259 2.956 10 0 AFAERN COc1ccc(CC2CC2)cc1F 709924410 1169728177 /nfs/dbraw/zinc/72/81/77/1169728177.db2.gz YXIYJKQBVRQNKS-UHFFFAOYSA-N 0 0 180.222 2.787 10 0 AFAERN COc1ccc(CC2CC2)c(F)c1 709924399 1169728473 /nfs/dbraw/zinc/72/84/73/1169728473.db2.gz YMXLJBBCHDVKIR-UHFFFAOYSA-N 0 0 180.222 2.787 10 0 AFAERN c1cncc(-c2cccc3c2NCC3)c1 712252239 1169729124 /nfs/dbraw/zinc/72/91/24/1169729124.db2.gz SDDXHGLFTKISGA-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN c1cc2c(c(-c3ccoc3)c1)NCC2 712156334 1169729633 /nfs/dbraw/zinc/72/96/33/1169729633.db2.gz BOQYLLWEPUKUNF-UHFFFAOYSA-N 0 0 185.226 2.915 10 0 AFAERN c1cc2c(c(-c3ccncc3)c1)NCC2 712251126 1169730177 /nfs/dbraw/zinc/73/01/77/1169730177.db2.gz IADJEGINBXNTSC-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN CC(=O)c1cccc(F)c1OC1CC1 713172232 1169732291 /nfs/dbraw/zinc/73/22/91/1169732291.db2.gz SCUKDIWBBOTVHD-UHFFFAOYSA-N 0 0 194.205 2.570 10 0 AFAERN CC(=O)c1c(F)cccc1OC1CC1 713171192 1169733432 /nfs/dbraw/zinc/73/34/32/1169733432.db2.gz LTHBCNFHUZYGKK-UHFFFAOYSA-N 0 0 194.205 2.570 10 0 AFAERN Cc1ccc(-c2cccnc2C)c(N)c1 715172847 1169735826 /nfs/dbraw/zinc/73/58/26/1169735826.db2.gz PDZWBLOICOJWAY-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ncccc1-c1cc(F)ccn1 715213830 1169736169 /nfs/dbraw/zinc/73/61/69/1169736169.db2.gz YPRUXCBUSNMKFI-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cnc(COC2CCC2)s1 714915790 1169736598 /nfs/dbraw/zinc/73/65/98/1169736598.db2.gz QHVHGZFAUZCECD-UHFFFAOYSA-N 0 0 183.276 2.521 10 0 AFAERN Cc1ncccc1-c1ccccc1N 715171150 1169737252 /nfs/dbraw/zinc/73/72/52/1169737252.db2.gz DCLAFVYAHQOXEI-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1ccc(N)cc1-c1cccnc1C 715172455 1169737670 /nfs/dbraw/zinc/73/76/70/1169737670.db2.gz OMJIHOMXVGRXRW-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ncccc1-c1cccc(N)c1C 715172989 1169737889 /nfs/dbraw/zinc/73/78/89/1169737889.db2.gz SEHPSAXPQDTFKQ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(-c2cccnc2C)cc1N 715171969 1169737996 /nfs/dbraw/zinc/73/79/96/1169737996.db2.gz KLFDRSGHCQJJFK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(N)c(-c2cccnc2C)c1 715173347 1169738241 /nfs/dbraw/zinc/73/82/41/1169738241.db2.gz UDFSZWPKOXISLG-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cc(-c2cccnc2C)ccc1N 715171558 1169738819 /nfs/dbraw/zinc/73/88/19/1169738819.db2.gz GWRHXJRWBVJHFJ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ncccc1-c1cccc(CO)c1 715240141 1169738903 /nfs/dbraw/zinc/73/89/03/1169738903.db2.gz NNKOFALIPRHODN-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1cc(C)nc(-c2ccsc2)n1 715419034 1169739382 /nfs/dbraw/zinc/73/93/82/1169739382.db2.gz VZRMJUAPWRGZTB-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1ncccc1-c1ccc(CO)cc1 715242245 1169741135 /nfs/dbraw/zinc/74/11/35/1169741135.db2.gz VAWZDWQCGKNJKA-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN Cc1cccc(C)c1-c1cccnc1N 717717426 1169748406 /nfs/dbraw/zinc/74/84/06/1169748406.db2.gz WHUCWYJQJMHPKU-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cccc(C)c1-c1ccncc1N 717717112 1169748723 /nfs/dbraw/zinc/74/87/23/1169748723.db2.gz PPUZGKYBDZJHJF-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ncc(CC(=O)C(C)(C)C)s1 718959984 1169751761 /nfs/dbraw/zinc/75/17/61/1169751761.db2.gz ZGKTVLWJJDINLG-UHFFFAOYSA-N 0 0 197.303 2.609 10 0 AFAERN C[C@H](Oc1ccnc(Cl)c1)C1CC1 719026633 1169753217 /nfs/dbraw/zinc/75/32/17/1169753217.db2.gz XSEOSXBZLUHRCH-ZETCQYMHSA-N 0 0 197.665 2.912 10 0 AFAERN C[C@H](Oc1cccc(F)n1)C1CCC1 719776543 1169753799 /nfs/dbraw/zinc/75/37/99/1169753799.db2.gz GVKSJKARAHBQLP-QMMMGPOBSA-N 0 0 195.237 2.788 10 0 AFAERN C[C@@H](Oc1ccnc(Cl)c1)C1CC1 719026632 1169754010 /nfs/dbraw/zinc/75/40/10/1169754010.db2.gz XSEOSXBZLUHRCH-SSDOTTSWSA-N 0 0 197.665 2.912 10 0 AFAERN C[C@H](Oc1ccnc(F)c1)C1CCC1 719776558 1169754215 /nfs/dbraw/zinc/75/42/15/1169754215.db2.gz HDBCYKJAOZCLHY-QMMMGPOBSA-N 0 0 195.237 2.788 10 0 AFAERN C[C@@H](Oc1cccc(F)n1)C1CCC1 719776542 1169754238 /nfs/dbraw/zinc/75/42/38/1169754238.db2.gz GVKSJKARAHBQLP-MRVPVSSYSA-N 0 0 195.237 2.788 10 0 AFAERN C[C@@H](OCC(=O)C(C)(C)C)C1CCC1 719675252 1169754251 /nfs/dbraw/zinc/75/42/51/1169754251.db2.gz HNAUNDWMRXXNIC-SECBINFHSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@@H](Oc1cccc(Cl)n1)C1CC1 719026651 1169754715 /nfs/dbraw/zinc/75/47/15/1169754715.db2.gz YFISUFPPGVCHGO-SSDOTTSWSA-N 0 0 197.665 2.912 10 0 AFAERN C[C@H](OCC(=O)C(C)(C)C)C1CCC1 719675257 1169754731 /nfs/dbraw/zinc/75/47/31/1169754731.db2.gz HNAUNDWMRXXNIC-VIFPVBQESA-N 0 0 198.306 2.807 10 0 AFAERN C[C@H](Oc1cccc(Cl)n1)C1CC1 719026652 1169755119 /nfs/dbraw/zinc/75/51/19/1169755119.db2.gz YFISUFPPGVCHGO-ZETCQYMHSA-N 0 0 197.665 2.912 10 0 AFAERN C[C@@H](Oc1ccnc(F)c1)C1CCC1 719776557 1169755169 /nfs/dbraw/zinc/75/51/69/1169755169.db2.gz HDBCYKJAOZCLHY-MRVPVSSYSA-N 0 0 195.237 2.788 10 0 AFAERN Cc1ccc(O)c(-c2nccs2)c1 721030599 1169756548 /nfs/dbraw/zinc/75/65/48/1169756548.db2.gz FJVZJNZTRFCWET-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CC[C@H](C)Nc1cccc2c1CCN2 721155744 1169756732 /nfs/dbraw/zinc/75/67/32/1169756732.db2.gz SYFPVMAKJVCZME-VIFPVBQESA-N 0 0 190.290 2.865 10 0 AFAERN Cc1ccc(O)cc1-c1nccs1 721036146 1169756812 /nfs/dbraw/zinc/75/68/12/1169756812.db2.gz OWYJOUGDMWUBBW-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1ccc(-c2nccs2)c(O)c1 721035572 1169757682 /nfs/dbraw/zinc/75/76/82/1169757682.db2.gz JZDDOSKBMSNHOT-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc(-c2nccs2)ccc1O 721033015 1169758567 /nfs/dbraw/zinc/75/85/67/1169758567.db2.gz YMUUZFYUVDYCGT-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc(O)ccc1-c1nccs1 721031911 1169759241 /nfs/dbraw/zinc/75/92/41/1169759241.db2.gz SCQQKWFWGNPRMG-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Oc1ccc(-c2nccs2)c(F)c1 721037136 1169759264 /nfs/dbraw/zinc/75/92/64/1169759264.db2.gz UUARMBJXRABDQQ-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN CC[C@@H](C)Nc1cccc2c1CCN2 721155742 1169759294 /nfs/dbraw/zinc/75/92/94/1169759294.db2.gz SYFPVMAKJVCZME-SECBINFHSA-N 0 0 190.290 2.865 10 0 AFAERN Nc1ccc(-c2nccs2)c(F)c1 721080652 1169759307 /nfs/dbraw/zinc/75/93/07/1169759307.db2.gz GFXPCCNPXMHARH-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1ccc(-c2nccs2)cc1F 721084480 1169759620 /nfs/dbraw/zinc/75/96/20/1169759620.db2.gz UQISLNNHWIVFFM-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Oc1ccc(F)cc1-c1nccs1 721031051 1169759630 /nfs/dbraw/zinc/75/96/30/1169759630.db2.gz ILJAHOJMNARLOJ-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN Oc1ccc(-c2nccs2)cc1F 721036473 1169759802 /nfs/dbraw/zinc/75/98/02/1169759802.db2.gz QNDGUFKXQVUWTC-UHFFFAOYSA-N 0 0 195.218 2.655 10 0 AFAERN C[C@@H]1CC[C@H](Oc2ccnc(F)c2)C1 721560829 1169760102 /nfs/dbraw/zinc/76/01/02/1169760102.db2.gz RPMYQBQIUXGWLO-BDAKNGLRSA-N 0 0 195.237 2.788 10 0 AFAERN C[C@H]1CC[C@@H](Oc2ccnc(F)c2)C1 721560835 1169760476 /nfs/dbraw/zinc/76/04/76/1169760476.db2.gz RPMYQBQIUXGWLO-DTWKUNHWSA-N 0 0 195.237 2.788 10 0 AFAERN CCC(CC)OCC(=O)C(C)(C)C 721593240 1169760602 /nfs/dbraw/zinc/76/06/02/1169760602.db2.gz MRLDPHQJYYVCBP-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN C[C@@H]1CC[C@H](Oc2cccc(F)n2)C1 721553695 1169760737 /nfs/dbraw/zinc/76/07/37/1169760737.db2.gz DIHIMQVTLWBCBX-BDAKNGLRSA-N 0 0 195.237 2.788 10 0 AFAERN C[C@H]1CC[C@@H](OCC(=O)C(C)(C)C)C1 721575450 1169760888 /nfs/dbraw/zinc/76/08/88/1169760888.db2.gz MNQDEGNCFXQZHU-VHSXEESVSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(CC)Oc1ccnc(F)c1 721509076 1169761046 /nfs/dbraw/zinc/76/10/46/1169761046.db2.gz NSGYNYORMXXMQZ-UHFFFAOYSA-N 0 0 183.226 2.788 10 0 AFAERN C[C@@H]1CC[C@@H](OCC(=O)C(C)(C)C)C1 721575446 1169761173 /nfs/dbraw/zinc/76/11/73/1169761173.db2.gz MNQDEGNCFXQZHU-NXEZZACHSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@H]1CC[C@H](OCC(=O)C(C)(C)C)C1 721575447 1169761182 /nfs/dbraw/zinc/76/11/82/1169761182.db2.gz MNQDEGNCFXQZHU-UWVGGRQHSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@@H]1CC[C@@H](Oc2cccc(F)n2)C1 721553700 1169761689 /nfs/dbraw/zinc/76/16/89/1169761689.db2.gz DIHIMQVTLWBCBX-RKDXNWHRSA-N 0 0 195.237 2.788 10 0 AFAERN C[C@H]1CC[C@H](Oc2ccnc(F)c2)C1 721560838 1169761987 /nfs/dbraw/zinc/76/19/87/1169761987.db2.gz RPMYQBQIUXGWLO-IUCAKERBSA-N 0 0 195.237 2.788 10 0 AFAERN CCC(CC)Oc1cccc(F)n1 721508853 1169762238 /nfs/dbraw/zinc/76/22/38/1169762238.db2.gz LANCVPATHYQDQK-UHFFFAOYSA-N 0 0 183.226 2.788 10 0 AFAERN C[C@@H]1CC[C@@H](Oc2ccnc(F)c2)C1 721560840 1169762325 /nfs/dbraw/zinc/76/23/25/1169762325.db2.gz RPMYQBQIUXGWLO-RKDXNWHRSA-N 0 0 195.237 2.788 10 0 AFAERN C[C@H]1CC[C@H](Oc2cccc(F)n2)C1 721553698 1169762673 /nfs/dbraw/zinc/76/26/73/1169762673.db2.gz DIHIMQVTLWBCBX-IUCAKERBSA-N 0 0 195.237 2.788 10 0 AFAERN C[C@H]1CC[C@@H](Oc2cccc(F)n2)C1 721553696 1169762881 /nfs/dbraw/zinc/76/28/81/1169762881.db2.gz DIHIMQVTLWBCBX-DTWKUNHWSA-N 0 0 195.237 2.788 10 0 AFAERN C[C@@H]1CC[C@H](OCC(=O)C(C)(C)C)C1 721575452 1169762985 /nfs/dbraw/zinc/76/29/85/1169762985.db2.gz MNQDEGNCFXQZHU-ZJUUUORDSA-N 0 0 198.306 2.807 10 0 AFAERN CCCc1cc(C(C)=O)ccc1F 722345536 1169765017 /nfs/dbraw/zinc/76/50/17/1169765017.db2.gz NDZLEZKOTDLBIV-UHFFFAOYSA-N 0 0 180.222 2.981 10 0 AFAERN CCCC1=CCC2(CC1)OCCO2 722344512 1169765393 /nfs/dbraw/zinc/76/53/93/1169765393.db2.gz IFXDUUMFDXUDMC-UHFFFAOYSA-N 0 0 182.263 2.640 10 0 AFAERN COc1cccc(CC2CC2)c1C 725383268 1169773066 /nfs/dbraw/zinc/77/30/66/1169773066.db2.gz OLWNCVMOKYKANT-UHFFFAOYSA-N 0 0 176.259 2.956 10 0 AFAERN COc1ccc(CC2CC2)cc1C 725401597 1169773369 /nfs/dbraw/zinc/77/33/69/1169773369.db2.gz UQJTXHQJYGRPAT-UHFFFAOYSA-N 0 0 176.259 2.956 10 0 AFAERN CN(c1cc(Cl)ccn1)C(C)(C)C 725606844 1169774649 /nfs/dbraw/zinc/77/46/49/1169774649.db2.gz FULCJOCKTZSEII-UHFFFAOYSA-N 0 0 198.697 2.970 10 0 AFAERN CC1(C(=O)OCC2CCC2)CC=CC1 924202195 1169783798 /nfs/dbraw/zinc/78/37/98/1169783798.db2.gz XQPJHYIVSUXVGM-UHFFFAOYSA-N 0 0 194.274 2.686 10 0 AFAERN CC[C@@H]1C[C@H]1c1nnc(CC2CC2)o1 1118430126 1169784609 /nfs/dbraw/zinc/78/46/09/1169784609.db2.gz MUXRGBKPJRKYFU-RKDXNWHRSA-N 0 0 192.262 2.536 10 0 AFAERN CC[C@@H]1C[C@H]1c1nnc(C(C)C)o1 1118425390 1169784718 /nfs/dbraw/zinc/78/47/18/1169784718.db2.gz ILYMMXVRXCVAKU-HTQZYQBOSA-N 0 0 180.251 2.707 10 0 AFAERN Fc1ccccc1O[C@H]1C=CCC1 1225199847 1169827416 /nfs/dbraw/zinc/82/74/16/1169827416.db2.gz AXNVAVYHUAMMIV-VIFPVBQESA-N 0 0 178.206 2.923 10 0 AFAERN Fc1ccccc1O[C@@H]1C=CCC1 1225199846 1169827609 /nfs/dbraw/zinc/82/76/09/1169827609.db2.gz AXNVAVYHUAMMIV-SECBINFHSA-N 0 0 178.206 2.923 10 0 AFAERN Clc1cccc(OC[C@@H]2CCO2)c1 1225230012 1169828092 /nfs/dbraw/zinc/82/80/92/1169828092.db2.gz PUPDFQOUCCUFQU-JTQLQIEISA-N 0 0 198.649 2.508 10 0 AFAERN Fc1cccc(O[C@@H]2C=CCC2)c1 1225229443 1169828137 /nfs/dbraw/zinc/82/81/37/1169828137.db2.gz YECDHLDHHBGRBU-SNVBAGLBSA-N 0 0 178.206 2.923 10 0 AFAERN Fc1cccc(O[C@H]2C=CCC2)c1 1225229442 1169828593 /nfs/dbraw/zinc/82/85/93/1169828593.db2.gz YECDHLDHHBGRBU-JTQLQIEISA-N 0 0 178.206 2.923 10 0 AFAERN CC(C)N(C)Cc1ncccc1Cl 1231958155 1169835441 /nfs/dbraw/zinc/83/54/41/1169835441.db2.gz NFIATRWLIZONLL-UHFFFAOYSA-N 0 0 198.697 2.575 10 0 AFAERN Cc1cc(CN2CCCCO2)cs1 1248801477 1169840286 /nfs/dbraw/zinc/84/02/86/1169840286.db2.gz RRZBSTQTQVCEDD-UHFFFAOYSA-N 0 0 197.303 2.584 10 0 AFAERN Cc1cc(CN2CC(C)(F)C2)cs1 1248801551 1169840322 /nfs/dbraw/zinc/84/03/22/1169840322.db2.gz VQBPTAHDZSYYBJ-UHFFFAOYSA-N 0 0 199.294 2.600 10 0 AFAERN CC(C)CCCc1nnc(C2CC2)o1 1254071866 1169849475 /nfs/dbraw/zinc/84/94/75/1169849475.db2.gz GCPLAMJIJVXICD-UHFFFAOYSA-N 0 0 194.278 2.926 10 0 AFAERN CC[C@@H](C)CCc1nnc(C2CC2)o1 1254096866 1169854365 /nfs/dbraw/zinc/85/43/65/1169854365.db2.gz ATONTYTZNSITLI-MRVPVSSYSA-N 0 0 194.278 2.926 10 0 AFAERN CC1(C)CC[C@H]1c1nnc(C2CC2)o1 1254096947 1169854969 /nfs/dbraw/zinc/85/49/69/1169854969.db2.gz FDVVSCLKZVSESY-QMMMGPOBSA-N 0 0 192.262 2.851 10 0 AFAERN CC1(C)CC[C@@H]1c1nnc(C2CC2)o1 1254096946 1169855757 /nfs/dbraw/zinc/85/57/57/1169855757.db2.gz FDVVSCLKZVSESY-MRVPVSSYSA-N 0 0 192.262 2.851 10 0 AFAERN CC[C@H](C)CCc1nnc(C2CC2)o1 1254096867 1169857131 /nfs/dbraw/zinc/85/71/31/1169857131.db2.gz ATONTYTZNSITLI-QMMMGPOBSA-N 0 0 194.278 2.926 10 0 AFAERN CCc1nnc(CCCC(C)C)o1 1255082321 1169902154 /nfs/dbraw/zinc/90/21/54/1169902154.db2.gz CECHVNJFTVLRFG-UHFFFAOYSA-N 0 0 182.267 2.611 10 0 AFAERN CCc1nnc(CC[C@H](C)CC)o1 1255106955 1169903535 /nfs/dbraw/zinc/90/35/35/1169903535.db2.gz GORNFDQGQQXWQZ-MRVPVSSYSA-N 0 0 182.267 2.611 10 0 AFAERN CCc1nnc([C@@H]2CCC2(C)C)o1 1255107977 1169903650 /nfs/dbraw/zinc/90/36/50/1169903650.db2.gz RVRBLWPVCFNRFP-ZETCQYMHSA-N 0 0 180.251 2.536 10 0 AFAERN CCc1nnc(CC[C@@H](C)CC)o1 1255106956 1169904339 /nfs/dbraw/zinc/90/43/39/1169904339.db2.gz GORNFDQGQQXWQZ-QMMMGPOBSA-N 0 0 182.267 2.611 10 0 AFAERN CCc1nnc([C@H]2CCC2(C)C)o1 1255107976 1169904878 /nfs/dbraw/zinc/90/48/78/1169904878.db2.gz RVRBLWPVCFNRFP-SSDOTTSWSA-N 0 0 180.251 2.536 10 0 AFAERN C/C=C/C=C/c1nnc(C2CCC2)o1 1255154267 1169907095 /nfs/dbraw/zinc/90/70/95/1169907095.db2.gz COBZONICASKJGE-CRBCFSCISA-N 0 0 190.246 2.926 10 0 AFAERN CCCC[C@H](C)N[C@H]1CC1(F)F 1255309541 1169918692 /nfs/dbraw/zinc/91/86/92/1169918692.db2.gz HUEQYMJDHDZTET-YUMQZZPRSA-N 0 0 177.238 2.562 10 0 AFAERN CCCC[C@H](C)N[C@@H]1CC1(F)F 1255309538 1169918981 /nfs/dbraw/zinc/91/89/81/1169918981.db2.gz HUEQYMJDHDZTET-JGVFFNPUSA-N 0 0 177.238 2.562 10 0 AFAERN CCCC[C@@H](C)N[C@@H]1CC1(F)F 1255309537 1169919590 /nfs/dbraw/zinc/91/95/90/1169919590.db2.gz HUEQYMJDHDZTET-HTQZYQBOSA-N 0 0 177.238 2.562 10 0 AFAERN CCCC[C@@H](C)N[C@H]1CC1(F)F 1255309539 1169920126 /nfs/dbraw/zinc/92/01/26/1169920126.db2.gz HUEQYMJDHDZTET-SFYZADRCSA-N 0 0 177.238 2.562 10 0 AFAERN FC1(F)C[C@@H]1NC1CCCCCC1 1255877998 1169958744 /nfs/dbraw/zinc/95/87/44/1169958744.db2.gz ZLBOSZNCPOSAEM-VIFPVBQESA-N 0 0 189.249 2.706 10 0 AFAERN FC1(F)C[C@H]1NC1CCCCCC1 1255877997 1169959797 /nfs/dbraw/zinc/95/97/97/1169959797.db2.gz ZLBOSZNCPOSAEM-SECBINFHSA-N 0 0 189.249 2.706 10 0 AFAERN CCCCCc1nnc(CC2CC2)o1 1256063716 1169962192 /nfs/dbraw/zinc/96/21/92/1169962192.db2.gz FQWVGGLHLOVZMM-UHFFFAOYSA-N 0 0 194.278 2.755 10 0 AFAERN CC(C)CC[C@H](C)N1CCCCO1 1256365758 1169964766 /nfs/dbraw/zinc/96/47/66/1169964766.db2.gz LIUNSISXLVPJFH-NSHDSACASA-N 0 0 185.311 2.839 10 0 AFAERN CC(C)CC[C@H](C)N[C@H]1CC1(F)F 1256351358 1169964863 /nfs/dbraw/zinc/96/48/63/1169964863.db2.gz LLEMCYYJALUGCF-IUCAKERBSA-N 0 0 191.265 2.808 10 0 AFAERN CC(C)CC[C@H](C)N1CC(F)(F)C1 1256363226 1169964885 /nfs/dbraw/zinc/96/48/85/1169964885.db2.gz FIBXFWUPAAGLNT-VIFPVBQESA-N 0 0 191.265 2.762 10 0 AFAERN CC(C)CC[C@@H](C)N1CC(F)(F)C1 1256363225 1169965238 /nfs/dbraw/zinc/96/52/38/1169965238.db2.gz FIBXFWUPAAGLNT-SECBINFHSA-N 0 0 191.265 2.762 10 0 AFAERN CC(C)CC[C@@H](C)N1CC(C)(F)C1 1256364831 1169965254 /nfs/dbraw/zinc/96/52/54/1169965254.db2.gz WTQLASYOLFCMRR-SNVBAGLBSA-N 0 0 187.302 2.855 10 0 AFAERN CC(C)CC[C@@H](C)N[C@H]1CC1(F)F 1256351356 1169965323 /nfs/dbraw/zinc/96/53/23/1169965323.db2.gz LLEMCYYJALUGCF-BDAKNGLRSA-N 0 0 191.265 2.808 10 0 AFAERN CC(C)CC[C@@H](C)N[C@@H]1CC1(F)F 1256351359 1169965915 /nfs/dbraw/zinc/96/59/15/1169965915.db2.gz LLEMCYYJALUGCF-RKDXNWHRSA-N 0 0 191.265 2.808 10 0 AFAERN CC(C)CC[C@@H](C)N1CCCCO1 1256365754 1169966313 /nfs/dbraw/zinc/96/63/13/1169966313.db2.gz LIUNSISXLVPJFH-LLVKDONJSA-N 0 0 185.311 2.839 10 0 AFAERN CC(C)CC[C@H](C)N1CC(C)(F)C1 1256364829 1169966374 /nfs/dbraw/zinc/96/63/74/1169966374.db2.gz WTQLASYOLFCMRR-JTQLQIEISA-N 0 0 187.302 2.855 10 0 AFAERN CC(C)CC[C@H](C)N[C@@H]1CC1(F)F 1256351357 1169967230 /nfs/dbraw/zinc/96/72/30/1169967230.db2.gz LLEMCYYJALUGCF-DTWKUNHWSA-N 0 0 191.265 2.808 10 0 AFAERN CC(C)Cc1nnc(C2(C)CCC2)o1 1256437843 1169967636 /nfs/dbraw/zinc/96/76/36/1169967636.db2.gz FQUIFXQDENKHTB-UHFFFAOYSA-N 0 0 194.278 2.710 10 0 AFAERN C/C=C/C=C/c1nnc(CC(C)C)o1 1256407060 1169967856 /nfs/dbraw/zinc/96/78/56/1169967856.db2.gz HMOXTFBQNSSENW-YTXTXJHMSA-N 0 0 192.262 2.857 10 0 AFAERN CC(C)Cc1nnc([C@H]2CC2(C)C)o1 1256399953 1169968388 /nfs/dbraw/zinc/96/83/88/1169968388.db2.gz BSXDDDFYLLXKTD-MRVPVSSYSA-N 0 0 194.278 2.782 10 0 AFAERN CC(C)CCc1nnc(CC(C)C)o1 1256407061 1169968730 /nfs/dbraw/zinc/96/87/30/1169968730.db2.gz HODUKLMJDIIESN-UHFFFAOYSA-N 0 0 196.294 2.857 10 0 AFAERN CCC(C)(C)c1nnc(CC(C)C)o1 1256406469 1169969514 /nfs/dbraw/zinc/96/95/14/1169969514.db2.gz AWKXADRNYDWLIM-UHFFFAOYSA-N 0 0 196.294 2.956 10 0 AFAERN CC(C)Cc1nnc([C@@H]2CC2(C)C)o1 1256399954 1169969969 /nfs/dbraw/zinc/96/99/69/1169969969.db2.gz BSXDDDFYLLXKTD-QMMMGPOBSA-N 0 0 194.278 2.782 10 0 AFAERN CCC1CCC(N2CC(C)(F)C2)CC1 1256870550 1169975525 /nfs/dbraw/zinc/97/55/25/1169975525.db2.gz IEVGMRQLABTMSE-UHFFFAOYSA-N 0 0 199.313 2.999 10 0 AFAERN CCC1CCC(N2CCCO2)CC1 1256870763 1169976688 /nfs/dbraw/zinc/97/66/88/1169976688.db2.gz SXISZBAIVGJMAZ-UHFFFAOYSA-N 0 0 183.295 2.593 10 0 AFAERN CCC1CCC(N2CCCCO2)CC1 1256870819 1169976847 /nfs/dbraw/zinc/97/68/47/1169976847.db2.gz WIZQOQGFOHPHED-UHFFFAOYSA-N 0 0 197.322 2.983 10 0 AFAERN c1nnc(CCC2CCCCC2)o1 1256779924 1169976928 /nfs/dbraw/zinc/97/69/28/1169976928.db2.gz KADZQJSNOLJWRB-UHFFFAOYSA-N 0 0 180.251 2.583 10 0 AFAERN CCC[C@@H](CC)N[C@@H]1CC1(F)F 1257244024 1169977784 /nfs/dbraw/zinc/97/77/84/1169977784.db2.gz JMDNRWUYPGTNRX-HTQZYQBOSA-N 0 0 177.238 2.562 10 0 AFAERN CCC[C@@H](CC)N[C@H]1CC1(F)F 1257244030 1169978247 /nfs/dbraw/zinc/97/82/47/1169978247.db2.gz JMDNRWUYPGTNRX-SFYZADRCSA-N 0 0 177.238 2.562 10 0 AFAERN CCC[C@H](CC)N[C@H]1CC1(F)F 1257244031 1169979419 /nfs/dbraw/zinc/97/94/19/1169979419.db2.gz JMDNRWUYPGTNRX-YUMQZZPRSA-N 0 0 177.238 2.562 10 0 AFAERN CCC[C@H](CC)N[C@@H]1CC1(F)F 1257244028 1169980243 /nfs/dbraw/zinc/98/02/43/1169980243.db2.gz JMDNRWUYPGTNRX-JGVFFNPUSA-N 0 0 177.238 2.562 10 0 AFAERN CCC[C@H](CC)N(C)CC(F)F 1257272060 1169988832 /nfs/dbraw/zinc/98/88/32/1169988832.db2.gz XVNSLTOTCRXYRR-QMMMGPOBSA-N 0 0 179.254 2.762 10 0 AFAERN CCC[C@@H](CC)N(C)CC(F)F 1257272059 1169989332 /nfs/dbraw/zinc/98/93/32/1169989332.db2.gz XVNSLTOTCRXYRR-MRVPVSSYSA-N 0 0 179.254 2.762 10 0 AFAERN CCC(CC)[N@@H+]1Cc2cccnc2C1 1257295158 1169990503 /nfs/dbraw/zinc/99/05/03/1169990503.db2.gz ZDZXXFSUAVHLHQ-UHFFFAOYSA-N 0 0 190.290 2.586 10 0 AFAERN CCC(CC)N1CC(F)(C2CC2)C1 1257294467 1169991919 /nfs/dbraw/zinc/99/19/19/1169991919.db2.gz NUUJTKWFVZVVIL-UHFFFAOYSA-N 0 0 185.286 2.609 10 0 AFAERN CCC(CC)N1Cc2ncsc2C1 1257301583 1169993924 /nfs/dbraw/zinc/99/39/24/1169993924.db2.gz AVRZXAKSPFBRKT-UHFFFAOYSA-N 0 0 196.319 2.647 10 0 AFAERN CCC[C@@H](C)N1CC(F)(C2CC2)C1 1257316305 1169998616 /nfs/dbraw/zinc/99/86/16/1169998616.db2.gz AUORGLDHVZFAQO-SECBINFHSA-N 0 0 185.286 2.609 10 0 AFAERN CCC[C@H](C)N1CC(F)(C2CC2)C1 1257316306 1169998635 /nfs/dbraw/zinc/99/86/35/1169998635.db2.gz AUORGLDHVZFAQO-VIFPVBQESA-N 0 0 185.286 2.609 10 0 AFAERN c1cncc(-c2ccc3c(c2)CCN3)c1 52898392 566256693 /nfs/dbraw/zinc/25/66/93/566256693.db2.gz UVGDFTMOQCKKIL-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN OCc1ccc2c(c1)-c1ccccc1C2 70187372 566259760 /nfs/dbraw/zinc/25/97/60/566259760.db2.gz XNMCDYLCESIAKA-UHFFFAOYSA-N 0 0 196.249 2.750 10 0 AFAERN CC(C)c1cc(Cl)cnc1F 143750317 566267934 /nfs/dbraw/zinc/26/79/34/566267934.db2.gz WRBAYPDPTYAEDW-UHFFFAOYSA-N 0 0 173.618 2.998 10 0 AFAERN CC[C@@H](C)c1csc(COC)n1 157909564 566269070 /nfs/dbraw/zinc/26/90/70/566269070.db2.gz NABDLQDTBJTFRQ-SSDOTTSWSA-N 0 0 185.292 2.803 10 0 AFAERN CC[C@H](C)c1csc(COC)n1 157909717 566270043 /nfs/dbraw/zinc/27/00/43/566270043.db2.gz NABDLQDTBJTFRQ-ZETCQYMHSA-N 0 0 185.292 2.803 10 0 AFAERN CC1=C(C)C[N@H+](CC2(F)CC2)CC1 306224468 566292293 /nfs/dbraw/zinc/29/22/93/566292293.db2.gz DLVGEXANXPMART-UHFFFAOYSA-N 0 0 183.270 2.531 10 0 AFAERN CC[C@@H](C)c1noc([C@@H]2C[C@H]2C)n1 307182897 566296112 /nfs/dbraw/zinc/29/61/12/566296112.db2.gz OSFVOLCTFPETTR-BWZBUEFSSA-N 0 0 180.251 2.707 10 0 AFAERN CC[C@H](C)c1noc([C@@H]2C[C@H]2C)n1 307182898 566296341 /nfs/dbraw/zinc/29/63/41/566296341.db2.gz OSFVOLCTFPETTR-XLPZGREQSA-N 0 0 180.251 2.707 10 0 AFAERN C[C@H]1CC(C)(C)C[C@]2(C1)OCCC2=O 675078654 566311303 /nfs/dbraw/zinc/31/13/03/566311303.db2.gz HZXJXVUBDDPQJH-CABZTGNLSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@]2(C1)OCCC2=O 675078655 566311728 /nfs/dbraw/zinc/31/17/28/566311728.db2.gz HZXJXVUBDDPQJH-JOYOIKCWSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]2(C1)OCCC2=O 675078653 566312161 /nfs/dbraw/zinc/31/21/61/566312161.db2.gz HZXJXVUBDDPQJH-BXKDBHETSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@]2(C1)OCCC2=O 675078656 566312445 /nfs/dbraw/zinc/31/24/45/566312445.db2.gz HZXJXVUBDDPQJH-SKDRFNHKSA-N 0 0 196.290 2.561 10 0 AFAERN CCC[C@H](C)N1Cc2ncsc2C1 1257325089 1170001341 /nfs/dbraw/zinc/00/13/41/1170001341.db2.gz ZOZNTJVXAZZQSQ-QMMMGPOBSA-N 0 0 196.319 2.647 10 0 AFAERN CCCC(CCC)N[C@H]1CC1(F)F 1257328333 1170001546 /nfs/dbraw/zinc/00/15/46/1170001546.db2.gz SHKPPTIOYMYZSB-VIFPVBQESA-N 0 0 191.265 2.952 10 0 AFAERN CCCC(CCC)N[C@@H]1CC1(F)F 1257328332 1170001586 /nfs/dbraw/zinc/00/15/86/1170001586.db2.gz SHKPPTIOYMYZSB-SECBINFHSA-N 0 0 191.265 2.952 10 0 AFAERN CCC[C@@H](C)N1Cc2ncsc2C1 1257325088 1170003710 /nfs/dbraw/zinc/00/37/10/1170003710.db2.gz ZOZNTJVXAZZQSQ-MRVPVSSYSA-N 0 0 196.319 2.647 10 0 AFAERN CCCC[C@H](CC)N[C@@H]1CC1(F)F 1257409256 1170012760 /nfs/dbraw/zinc/01/27/60/1170012760.db2.gz ZCJUIESSBKNWEB-DTWKUNHWSA-N 0 0 191.265 2.952 10 0 AFAERN CCCC[C@@H](CC)N[C@@H]1CC1(F)F 1257409258 1170013759 /nfs/dbraw/zinc/01/37/59/1170013759.db2.gz ZCJUIESSBKNWEB-RKDXNWHRSA-N 0 0 191.265 2.952 10 0 AFAERN CCCC[C@@H](CC)N[C@H]1CC1(F)F 1257409255 1170014324 /nfs/dbraw/zinc/01/43/24/1170014324.db2.gz ZCJUIESSBKNWEB-BDAKNGLRSA-N 0 0 191.265 2.952 10 0 AFAERN CCCC[C@H](CC)N[C@H]1CC1(F)F 1257409257 1170014902 /nfs/dbraw/zinc/01/49/02/1170014902.db2.gz ZCJUIESSBKNWEB-IUCAKERBSA-N 0 0 191.265 2.952 10 0 AFAERN CC[C@@H](C)N1CCC[C@H]1C(F)(F)F 1257437493 1170026679 /nfs/dbraw/zinc/02/66/79/1170026679.db2.gz JMJJAGMTXHTLLB-SFYZADRCSA-N 0 0 195.228 2.812 10 0 AFAERN CC[C@H](C)N1CCC[C@H]1C(F)(F)F 1257437496 1170029306 /nfs/dbraw/zinc/02/93/06/1170029306.db2.gz JMJJAGMTXHTLLB-YUMQZZPRSA-N 0 0 195.228 2.812 10 0 AFAERN CC[C@@H](C)N1Cc2nc(C)sc2C1 1257447452 1170035504 /nfs/dbraw/zinc/03/55/04/1170035504.db2.gz GMTVJUZTMWZYFL-SSDOTTSWSA-N 0 0 196.319 2.566 10 0 AFAERN CC[C@H](C)N1Cc2nc(C)sc2C1 1257447453 1170036568 /nfs/dbraw/zinc/03/65/68/1170036568.db2.gz GMTVJUZTMWZYFL-ZETCQYMHSA-N 0 0 196.319 2.566 10 0 AFAERN CCCCC[C@@H](C)N[C@H]1CC1(F)F 1257499657 1170041944 /nfs/dbraw/zinc/04/19/44/1170041944.db2.gz ASWQATOGFOWQHN-BDAKNGLRSA-N 0 0 191.265 2.952 10 0 AFAERN CCCCC[C@H](C)N[C@H]1CC1(F)F 1257499660 1170042476 /nfs/dbraw/zinc/04/24/76/1170042476.db2.gz ASWQATOGFOWQHN-IUCAKERBSA-N 0 0 191.265 2.952 10 0 AFAERN CCCCC[C@@H](C)N[C@@H]1CC1(F)F 1257499661 1170043480 /nfs/dbraw/zinc/04/34/80/1170043480.db2.gz ASWQATOGFOWQHN-RKDXNWHRSA-N 0 0 191.265 2.952 10 0 AFAERN CCCCC[C@H](C)N[C@@H]1CC1(F)F 1257499658 1170044610 /nfs/dbraw/zinc/04/46/10/1170044610.db2.gz ASWQATOGFOWQHN-DTWKUNHWSA-N 0 0 191.265 2.952 10 0 AFAERN C/C=C/C=C\c1nnc(C2CCC2)o1 1257891031 1170048996 /nfs/dbraw/zinc/04/89/96/1170048996.db2.gz COBZONICASKJGE-HOJFPOIOSA-N 0 0 190.246 2.926 10 0 AFAERN C[C@H](CC1CC1)N1CC(F)(C2CC2)C1 1258466066 1170075482 /nfs/dbraw/zinc/07/54/82/1170075482.db2.gz TUMCPMUTAPZBJI-SECBINFHSA-N 0 0 197.297 2.609 10 0 AFAERN C[C@@H](CC1CC1)N1CC(F)(C2CC2)C1 1258466068 1170075616 /nfs/dbraw/zinc/07/56/16/1170075616.db2.gz TUMCPMUTAPZBJI-VIFPVBQESA-N 0 0 197.297 2.609 10 0 AFAERN CC1(C)CC[C@H](N[C@H]2CC2(F)F)C1 1258592188 1170080011 /nfs/dbraw/zinc/08/00/11/1170080011.db2.gz OOJJIDPRKUQYNK-YUMQZZPRSA-N 0 0 189.249 2.562 10 0 AFAERN CC1(C)CC[C@H](N[C@@H]2CC2(F)F)C1 1258592186 1170080585 /nfs/dbraw/zinc/08/05/85/1170080585.db2.gz OOJJIDPRKUQYNK-JGVFFNPUSA-N 0 0 189.249 2.562 10 0 AFAERN CC1(C)CC[C@@H](N[C@H]2CC2(F)F)C1 1258592187 1170081002 /nfs/dbraw/zinc/08/10/02/1170081002.db2.gz OOJJIDPRKUQYNK-SFYZADRCSA-N 0 0 189.249 2.562 10 0 AFAERN CC1(C)CC[C@@H](N[C@@H]2CC2(F)F)C1 1258592185 1170081318 /nfs/dbraw/zinc/08/13/18/1170081318.db2.gz OOJJIDPRKUQYNK-HTQZYQBOSA-N 0 0 189.249 2.562 10 0 AFAERN C[C@@H]1CCC[C@H](N[C@@H]2CC2(F)F)C1 1258808957 1170102596 /nfs/dbraw/zinc/10/25/96/1170102596.db2.gz STJATNRTPXDYRC-HRDYMLBCSA-N 0 0 189.249 2.562 10 0 AFAERN C[C@@H]1CCC[C@H](N[C@H]2CC2(F)F)C1 1258808959 1170102811 /nfs/dbraw/zinc/10/28/11/1170102811.db2.gz STJATNRTPXDYRC-VGMNWLOBSA-N 0 0 189.249 2.562 10 0 AFAERN C[C@@H]1CCC[C@@H](N[C@@H]2CC2(F)F)C1 1258808958 1170103853 /nfs/dbraw/zinc/10/38/53/1170103853.db2.gz STJATNRTPXDYRC-IWSPIJDZSA-N 0 0 189.249 2.562 10 0 AFAERN C[C@@H]1CCC[C@@H](N[C@H]2CC2(F)F)C1 1258808956 1170103994 /nfs/dbraw/zinc/10/39/94/1170103994.db2.gz STJATNRTPXDYRC-HLTSFMKQSA-N 0 0 189.249 2.562 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)N(CC)C(C)(C)C 1261356858 1170111855 /nfs/dbraw/zinc/11/18/55/1170111855.db2.gz CGLXQOSAMUPOOJ-NXEZZACHSA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)CCCC(=O)N1CCC1(C)C 1261259921 1170112673 /nfs/dbraw/zinc/11/26/73/1170112673.db2.gz WZCVUMYDXQNOTO-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CC/C(C)=C/C(=O)N1C[C@H](C)C[C@@H]1C 1261259370 1170113081 /nfs/dbraw/zinc/11/30/81/1170113081.db2.gz FNZMIFQWYGHNMV-HDNGXNTCSA-N 0 0 195.306 2.600 10 0 AFAERN CC/C(C)=C\C(=O)N1C[C@H](C)C[C@@H]1C 1261259372 1170113255 /nfs/dbraw/zinc/11/32/55/1170113255.db2.gz FNZMIFQWYGHNMV-QNZWMITPSA-N 0 0 195.306 2.600 10 0 AFAERN CC/C(C)=C/C(=O)N1C[C@H](C)C[C@H]1C 1261259371 1170113306 /nfs/dbraw/zinc/11/33/06/1170113306.db2.gz FNZMIFQWYGHNMV-JKWVPGAPSA-N 0 0 195.306 2.600 10 0 AFAERN CC/C(C)=C\C(=O)N1C[C@H](C)C[C@H]1C 1261259373 1170113587 /nfs/dbraw/zinc/11/35/87/1170113587.db2.gz FNZMIFQWYGHNMV-ZNWQGHSCSA-N 0 0 195.306 2.600 10 0 AFAERN CCc1nnc([C@@H](C)CC(C)C)o1 1261431271 1170114139 /nfs/dbraw/zinc/11/41/39/1170114139.db2.gz VHHZGPXFQHOSMS-QMMMGPOBSA-N 0 0 182.267 2.782 10 0 AFAERN CCC(CC)Nc1nc(C)ncc1C 1261558354 1170117597 /nfs/dbraw/zinc/11/75/97/1170117597.db2.gz DQQQEWGLNUAKDV-UHFFFAOYSA-N 0 0 193.294 2.694 10 0 AFAERN CCc1nnc([C@H](C)CC(C)C)o1 1261431270 1170115909 /nfs/dbraw/zinc/11/59/09/1170115909.db2.gz VHHZGPXFQHOSMS-MRVPVSSYSA-N 0 0 182.267 2.782 10 0 AFAERN C=CC(=O)N1CCC[C@@H]1CCCCC 1262555652 1170132449 /nfs/dbraw/zinc/13/24/49/1170132449.db2.gz BYGGYPXHLIHHHE-NSHDSACASA-N 0 0 195.306 2.744 10 0 AFAERN C=CC(=O)N1CCC[C@H]1CCCCC 1262555651 1170133616 /nfs/dbraw/zinc/13/36/16/1170133616.db2.gz BYGGYPXHLIHHHE-LLVKDONJSA-N 0 0 195.306 2.744 10 0 AFAERN CC[C@@H](OC(=O)C(C)C)C1CCC1 1263530508 1170146011 /nfs/dbraw/zinc/14/60/11/1170146011.db2.gz KXTGPTWUZIQBBE-SNVBAGLBSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@H](OC(=O)C(C)C)C1CCC1 1263530507 1170146147 /nfs/dbraw/zinc/14/61/47/1170146147.db2.gz KXTGPTWUZIQBBE-JTQLQIEISA-N 0 0 184.279 2.764 10 0 AFAERN C=C/C=C/CC(=O)NCCC(C)(C)C 1290781990 1170170847 /nfs/dbraw/zinc/17/08/47/1170170847.db2.gz JSWDWXUCJBHOBX-VOTSOKGWSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C=C\CC(=O)NCCC(C)(C)C 1290781989 1170171503 /nfs/dbraw/zinc/17/15/03/1170171503.db2.gz JSWDWXUCJBHOBX-SREVYHEPSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C=C/CC(=O)NC1(CC)CCC1 1294465836 1170173031 /nfs/dbraw/zinc/17/30/31/1170173031.db2.gz XWNKEXGYHYHWSO-AATRIKPKSA-N 0 0 193.290 2.568 10 0 AFAERN C=C/C=C\CC(=O)NC1(CC)CCC1 1294465837 1170173767 /nfs/dbraw/zinc/17/37/67/1170173767.db2.gz XWNKEXGYHYHWSO-WAYWQWQTSA-N 0 0 193.290 2.568 10 0 AFAERN C=C/C=C\CC(=O)NC(C)(C)C(C)C 1300387140 1170177944 /nfs/dbraw/zinc/17/79/44/1170177944.db2.gz KZBQPOHQSSNQRC-FPLPWBNLSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C/CC(=O)NC(C)(C)C(C)C 1300387139 1170178406 /nfs/dbraw/zinc/17/84/06/1170178406.db2.gz KZBQPOHQSSNQRC-BQYQJAHWSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C/CCSc1cccnn1 1307328046 1170180306 /nfs/dbraw/zinc/18/03/06/1170180306.db2.gz XEMQCURBUXGPOT-ONEGZZNKSA-N 0 0 192.287 2.701 10 0 AFAERN C=C/C=C/CCSc1cnccn1 1307306223 1170180424 /nfs/dbraw/zinc/18/04/24/1170180424.db2.gz SZGIGAQEQWHRKD-ONEGZZNKSA-N 0 0 192.287 2.701 10 0 AFAERN C=C/C=C\CCSc1cnccn1 1307306210 1170180979 /nfs/dbraw/zinc/18/09/79/1170180979.db2.gz SZGIGAQEQWHRKD-ARJAWSKDSA-N 0 0 192.287 2.701 10 0 AFAERN C=C/C=C\CCSc1cccnn1 1307328045 1170181251 /nfs/dbraw/zinc/18/12/51/1170181251.db2.gz XEMQCURBUXGPOT-ARJAWSKDSA-N 0 0 192.287 2.701 10 0 AFAERN CCCCCCN(C)c1cc(C)[nH]n1 1308019718 1170186694 /nfs/dbraw/zinc/18/66/94/1170186694.db2.gz NWCQABSICDHQCA-UHFFFAOYSA-N 0 0 195.310 2.735 10 0 AFAERN CC(C)CCCN1OC2CCC1CC2 1308011527 1170187303 /nfs/dbraw/zinc/18/73/03/1170187303.db2.gz FOQKAIJYVBFWDZ-UHFFFAOYSA-N 0 0 197.322 2.981 10 0 AFAERN CCCCN1CC(F)(F)CC[C@H]1C 1308155328 1170188722 /nfs/dbraw/zinc/18/87/22/1170188722.db2.gz XZIDCKZSNCQBLB-SECBINFHSA-N 0 0 191.265 2.906 10 0 AFAERN CC(C)CN1CC(F)(F)CC[C@H]1C 1308154267 1170189349 /nfs/dbraw/zinc/18/93/49/1170189349.db2.gz OTOWNKCVNRJXNU-SECBINFHSA-N 0 0 191.265 2.762 10 0 AFAERN CCCCN1CC(F)(F)CC[C@@H]1C 1308155329 1170190354 /nfs/dbraw/zinc/19/03/54/1170190354.db2.gz XZIDCKZSNCQBLB-VIFPVBQESA-N 0 0 191.265 2.906 10 0 AFAERN CC(C)CN1CC(F)(F)CC[C@@H]1C 1308154268 1170190798 /nfs/dbraw/zinc/19/07/98/1170190798.db2.gz OTOWNKCVNRJXNU-VIFPVBQESA-N 0 0 191.265 2.762 10 0 AFAERN Cc1cccc(F)c1C(=O)OC(C)C 1319071242 1170198897 /nfs/dbraw/zinc/19/88/97/1170198897.db2.gz OFOJBRNKBMGGQS-UHFFFAOYSA-N 0 0 196.221 2.699 10 0 AFAERN CCC/C(C)=C\C(=O)NOC(C)(C)C 1319816855 1170204894 /nfs/dbraw/zinc/20/48/94/1170204894.db2.gz HUAHXCCJTCZDFB-HJWRWDBZSA-N 0 0 199.294 2.579 10 0 AFAERN CCC/C(C)=C/C(=O)NOC(C)(C)C 1319816854 1170205655 /nfs/dbraw/zinc/20/56/55/1170205655.db2.gz HUAHXCCJTCZDFB-CMDGGOBGSA-N 0 0 199.294 2.579 10 0 AFAERN C/C(=C/C(C)(C)C)C(=O)NC1(C)CC1 1321347957 1170214526 /nfs/dbraw/zinc/21/45/26/1170214526.db2.gz CAKOHSHRHWAXRY-HJWRWDBZSA-N 0 0 195.306 2.648 10 0 AFAERN C/C(=C\C(C)(C)C)C(=O)NC1(C)CC1 1321347956 1170214639 /nfs/dbraw/zinc/21/46/39/1170214639.db2.gz CAKOHSHRHWAXRY-CMDGGOBGSA-N 0 0 195.306 2.648 10 0 AFAERN CCc1nnc([C@@H]2[C@H]3CCCC[C@H]32)o1 1322688220 1170219355 /nfs/dbraw/zinc/21/93/55/1170219355.db2.gz LUUYXHSJWBLKPR-MBTKJCJQSA-N 0 0 192.262 2.536 10 0 AFAERN CC(C)Cc1nnc([C@@H](C)C2CC2)o1 1322278615 1170216711 /nfs/dbraw/zinc/21/67/11/1170216711.db2.gz GOQMLIOWSURWNP-QMMMGPOBSA-N 0 0 194.278 2.782 10 0 AFAERN CC(C)Cc1nnc([C@H](C)C2CC2)o1 1322278614 1170217838 /nfs/dbraw/zinc/21/78/38/1170217838.db2.gz GOQMLIOWSURWNP-MRVPVSSYSA-N 0 0 194.278 2.782 10 0 AFAERN CCc1nnc(C[C@H]2CC[C@@H](C)C2)o1 1322687530 1170218518 /nfs/dbraw/zinc/21/85/18/1170218518.db2.gz GRGIGRPKZMECTI-BDAKNGLRSA-N 0 0 194.278 2.611 10 0 AFAERN CCc1nnc(C[C@@H]2CC[C@@H](C)C2)o1 1322687533 1170219008 /nfs/dbraw/zinc/21/90/08/1170219008.db2.gz GRGIGRPKZMECTI-RKDXNWHRSA-N 0 0 194.278 2.611 10 0 AFAERN CCc1nnc(C[C@@H]2CC[C@H](C)C2)o1 1322687531 1170219039 /nfs/dbraw/zinc/21/90/39/1170219039.db2.gz GRGIGRPKZMECTI-DTWKUNHWSA-N 0 0 194.278 2.611 10 0 AFAERN CCc1nnc(C[C@H]2CC[C@H](C)C2)o1 1322687532 1170219251 /nfs/dbraw/zinc/21/92/51/1170219251.db2.gz GRGIGRPKZMECTI-IUCAKERBSA-N 0 0 194.278 2.611 10 0 AFAERN Cc1cc(OCCCCCF)ccn1 1323878308 1170219858 /nfs/dbraw/zinc/21/98/58/1170219858.db2.gz DDRSKRKNWBHPRJ-UHFFFAOYSA-N 0 0 197.253 2.909 10 0 AFAERN Cc1cccc2nc(NCCF)oc12 1324426114 1170223094 /nfs/dbraw/zinc/22/30/94/1170223094.db2.gz XTNZFCOQDLEFBI-UHFFFAOYSA-N 0 0 194.209 2.518 10 0 AFAERN CC1(CC(=O)NC2(C)CC2)CCCC1 1324306446 1170224937 /nfs/dbraw/zinc/22/49/37/1170224937.db2.gz RYDHNWUHTAHTAI-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN C1C[C@@H](CCSCC2CC2)CO1 1325196310 1170229180 /nfs/dbraw/zinc/22/91/80/1170229180.db2.gz CPGLPHRJUHPLBB-VIFPVBQESA-N 0 0 186.320 2.556 10 0 AFAERN CC/C=C\CNC(=O)C=C(CC)CC 1325032411 1170229557 /nfs/dbraw/zinc/22/95/57/1170229557.db2.gz BCWHVLKYPBIUSK-FPLPWBNLSA-N 0 0 195.306 2.815 10 0 AFAERN CCN(C(=O)CC1CCC1)C(C)(C)C 1325208475 1170229844 /nfs/dbraw/zinc/22/98/44/1170229844.db2.gz CLSTXEUFOPTUKX-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN C1C[C@H](CCSCC2CC2)CO1 1325196274 1170229903 /nfs/dbraw/zinc/22/99/03/1170229903.db2.gz CPGLPHRJUHPLBB-SECBINFHSA-N 0 0 186.320 2.556 10 0 AFAERN CC/C=C/CNC(=O)C=C(CC)CC 1325032410 1170230132 /nfs/dbraw/zinc/23/01/32/1170230132.db2.gz BCWHVLKYPBIUSK-BQYQJAHWSA-N 0 0 195.306 2.815 10 0 AFAERN CCN(C(=O)[C@@H]1CC1(C)C)C(C)(C)C 1325970614 1170234644 /nfs/dbraw/zinc/23/46/44/1170234644.db2.gz HFSNYYVWOZXMHW-VIFPVBQESA-N 0 0 197.322 2.680 10 0 AFAERN C/C=C/COC(=O)c1occ(C)c1C 1325969855 1170235001 /nfs/dbraw/zinc/23/50/01/1170235001.db2.gz FZXWEUUUSKJKBA-SNAWJCMRSA-N 0 0 194.230 2.629 10 0 AFAERN C/C=C\COC(=O)c1occ(C)c1C 1325969854 1170237107 /nfs/dbraw/zinc/23/71/07/1170237107.db2.gz FZXWEUUUSKJKBA-PLNGDYQASA-N 0 0 194.230 2.629 10 0 AFAERN CCCCSCC[C@H]1CCOC1 1326164004 1170237757 /nfs/dbraw/zinc/23/77/57/1170237757.db2.gz CIPYOLDHYAYPCN-SNVBAGLBSA-N 0 0 188.336 2.946 10 0 AFAERN CCCCSCC[C@@H]1CCOC1 1326164003 1170239710 /nfs/dbraw/zinc/23/97/10/1170239710.db2.gz CIPYOLDHYAYPCN-JTQLQIEISA-N 0 0 188.336 2.946 10 0 AFAERN CC[C@@H](CC(F)F)c1nnc(C)o1 1326998745 1170243977 /nfs/dbraw/zinc/24/39/77/1170243977.db2.gz FNZDTFIFEJWTCU-LURJTMIESA-N 0 0 190.193 2.527 10 0 AFAERN CC[C@H](C)c1nnc([C@@H]2CC23CC3)o1 1326986116 1170244593 /nfs/dbraw/zinc/24/45/93/1170244593.db2.gz MKQBLASVKGMGGK-YUMQZZPRSA-N 0 0 192.262 2.851 10 0 AFAERN CC(C)c1nnc([C@@H]2C[C@@H]2C(C)C)o1 1326969830 1170244767 /nfs/dbraw/zinc/24/47/67/1170244767.db2.gz FXCBRCUGHIBLGM-RKDXNWHRSA-N 0 0 194.278 2.953 10 0 AFAERN CC[C@H](C)c1nnc([C@H]2CC23CC3)o1 1326986114 1170244815 /nfs/dbraw/zinc/24/48/15/1170244815.db2.gz MKQBLASVKGMGGK-JGVFFNPUSA-N 0 0 192.262 2.851 10 0 AFAERN CC[C@@H](C)c1nnc([C@H]2CC23CC3)o1 1326986113 1170245694 /nfs/dbraw/zinc/24/56/94/1170245694.db2.gz MKQBLASVKGMGGK-HTQZYQBOSA-N 0 0 192.262 2.851 10 0 AFAERN CC[C@@H](C)c1nnc([C@@H]2CC23CC3)o1 1326986115 1170244926 /nfs/dbraw/zinc/24/49/26/1170244926.db2.gz MKQBLASVKGMGGK-SFYZADRCSA-N 0 0 192.262 2.851 10 0 AFAERN CC(C)c1nnc(C2(CF)CCC2)o1 1327013845 1170245426 /nfs/dbraw/zinc/24/54/26/1170245426.db2.gz UEIGLGIOEWZXPH-UHFFFAOYSA-N 0 0 198.241 2.584 10 0 AFAERN CC[C@H](CC(F)F)c1nnc(C)o1 1326998746 1170245457 /nfs/dbraw/zinc/24/54/57/1170245457.db2.gz FNZDTFIFEJWTCU-ZCFIWIBFSA-N 0 0 190.193 2.527 10 0 AFAERN CC(C)c1nnc([C@@H]2C[C@H]2C(C)C)o1 1326969828 1170245533 /nfs/dbraw/zinc/24/55/33/1170245533.db2.gz FXCBRCUGHIBLGM-DTWKUNHWSA-N 0 0 194.278 2.953 10 0 AFAERN CC(C)c1nnc([C@H]2C[C@H]2C(C)C)o1 1326969829 1170245560 /nfs/dbraw/zinc/24/55/60/1170245560.db2.gz FXCBRCUGHIBLGM-IUCAKERBSA-N 0 0 194.278 2.953 10 0 AFAERN CC[C@@H]1C[C@H]1c1nnc(C2CCC2)o1 1327005302 1170245656 /nfs/dbraw/zinc/24/56/56/1170245656.db2.gz UFSUGZUMHMDBKX-VXNVDRBHSA-N 0 0 192.262 2.851 10 0 AFAERN CC(C)c1nnc([C@H]2C[C@@H]2C(C)C)o1 1326969827 1170245773 /nfs/dbraw/zinc/24/57/73/1170245773.db2.gz FXCBRCUGHIBLGM-BDAKNGLRSA-N 0 0 194.278 2.953 10 0 AFAERN CC(=O)O[C@H](C)SCC=C(C)C 1327216182 1170246623 /nfs/dbraw/zinc/24/66/23/1170246623.db2.gz DCUMRBJPZXCKAE-VIFPVBQESA-N 0 0 188.292 2.595 10 0 AFAERN CCC(CC)S[C@@H](C)OC(C)=O 1327164434 1170246761 /nfs/dbraw/zinc/24/67/61/1170246761.db2.gz IBKNPMYTIJCBGA-QMMMGPOBSA-N 0 0 190.308 2.817 10 0 AFAERN CCN(C(=O)C1=CCCC1)C(C)(C)C 1327284867 1170247096 /nfs/dbraw/zinc/24/70/96/1170247096.db2.gz FUDPIXIOCVHVFE-UHFFFAOYSA-N 0 0 195.306 2.744 10 0 AFAERN CC(=O)O[C@@H](C)SCC=C(C)C 1327216176 1170247284 /nfs/dbraw/zinc/24/72/84/1170247284.db2.gz DCUMRBJPZXCKAE-SECBINFHSA-N 0 0 188.292 2.595 10 0 AFAERN CCC(CC)S[C@H](C)OC(C)=O 1327164430 1170247330 /nfs/dbraw/zinc/24/73/30/1170247330.db2.gz IBKNPMYTIJCBGA-MRVPVSSYSA-N 0 0 190.308 2.817 10 0 AFAERN CCc1nnc([C@H]2CCC[C@@H](F)C2)o1 1327317788 1170249150 /nfs/dbraw/zinc/24/91/50/1170249150.db2.gz IJBBIJZJKZLASJ-JGVFFNPUSA-N 0 0 198.241 2.628 10 0 AFAERN CCc1nnc([C@H]2CCC[C@H](F)C2)o1 1327317890 1170249667 /nfs/dbraw/zinc/24/96/67/1170249667.db2.gz IJBBIJZJKZLASJ-YUMQZZPRSA-N 0 0 198.241 2.628 10 0 AFAERN CCc1nnc([C@@H]2CCC[C@H](F)C2)o1 1327317889 1170249692 /nfs/dbraw/zinc/24/96/92/1170249692.db2.gz IJBBIJZJKZLASJ-SFYZADRCSA-N 0 0 198.241 2.628 10 0 AFAERN CCCSCC[C@H]1CCOC1 1327519583 1170250372 /nfs/dbraw/zinc/25/03/72/1170250372.db2.gz HRSJHKHWCMTQKR-SECBINFHSA-N 0 0 174.309 2.556 10 0 AFAERN CCc1nnc([C@@H]2CCC[C@@H](F)C2)o1 1327317787 1170250404 /nfs/dbraw/zinc/25/04/04/1170250404.db2.gz IJBBIJZJKZLASJ-HTQZYQBOSA-N 0 0 198.241 2.628 10 0 AFAERN CCCSCC[C@@H]1CCOC1 1327519584 1170251696 /nfs/dbraw/zinc/25/16/96/1170251696.db2.gz HRSJHKHWCMTQKR-VIFPVBQESA-N 0 0 174.309 2.556 10 0 AFAERN CCc1nnc([C@@H]2CC[C@H]3C[C@H]3C2)o1 1327822129 1170254798 /nfs/dbraw/zinc/25/47/98/1170254798.db2.gz CJMFXVAUUHNCNI-YIZRAAEISA-N 0 0 192.262 2.536 10 0 AFAERN CC(C)(C)c1nnc([C@@H]2CC23CC3)o1 1327852654 1170255058 /nfs/dbraw/zinc/25/50/58/1170255058.db2.gz KAYWRLXPIFKTBO-ZETCQYMHSA-N 0 0 192.262 2.635 10 0 AFAERN C1CC(c2nnc([C@@H]3CC34CC4)o2)C1 1327861920 1170255104 /nfs/dbraw/zinc/25/51/04/1170255104.db2.gz GOOMAGDOBLWYTR-QMMMGPOBSA-N 0 0 190.246 2.605 10 0 AFAERN C1CC(c2nnc([C@H]3CC34CC4)o2)C1 1327861918 1170255408 /nfs/dbraw/zinc/25/54/08/1170255408.db2.gz GOOMAGDOBLWYTR-MRVPVSSYSA-N 0 0 190.246 2.605 10 0 AFAERN CC(C)(C)c1nnc([C@H]2CC23CC3)o1 1327852653 1170256111 /nfs/dbraw/zinc/25/61/11/1170256111.db2.gz KAYWRLXPIFKTBO-SSDOTTSWSA-N 0 0 192.262 2.635 10 0 AFAERN Cc1nnc(C2CC(C(C)(C)C)C2)o1 1327824393 1170256388 /nfs/dbraw/zinc/25/63/88/1170256388.db2.gz QCCVBPPZOAWLGI-UHFFFAOYSA-N 0 0 194.278 2.918 10 0 AFAERN CCc1nnc([C@@H]2CC[C@@H]3C[C@@H]3C2)o1 1327822128 1170256393 /nfs/dbraw/zinc/25/63/93/1170256393.db2.gz CJMFXVAUUHNCNI-IWSPIJDZSA-N 0 0 192.262 2.536 10 0 AFAERN CC(C)=CCCOC(=O)/C=C/C1CC1 1327944111 1170257602 /nfs/dbraw/zinc/25/76/02/1170257602.db2.gz KTWBZKDXNZPJLU-BQYQJAHWSA-N 0 0 194.274 2.852 10 0 AFAERN Cc1ncc(C)c(NCCC(C)C)n1 1327925813 1170258297 /nfs/dbraw/zinc/25/82/97/1170258297.db2.gz OCEWOCBJOBAIBR-UHFFFAOYSA-N 0 0 193.294 2.551 10 0 AFAERN CC(C)=CCCOC(=O)/C=C\C1CC1 1327944112 1170258510 /nfs/dbraw/zinc/25/85/10/1170258510.db2.gz KTWBZKDXNZPJLU-FPLPWBNLSA-N 0 0 194.274 2.852 10 0 AFAERN CC/C(C)=C(\C)C(=O)N(OC)C(C)C 1328193901 1170259096 /nfs/dbraw/zinc/25/90/96/1170259096.db2.gz BFNDDTVQGWOFHQ-MDZDMXLPSA-N 0 0 199.294 2.531 10 0 AFAERN CC/C(C)=C(/C)C(=O)N(OC)C(C)C 1328193900 1170259181 /nfs/dbraw/zinc/25/91/81/1170259181.db2.gz BFNDDTVQGWOFHQ-KTKRTIGZSA-N 0 0 199.294 2.531 10 0 AFAERN CC1(C)C[C@H]1c1nnc(CC2CC2)o1 1328415727 1170261054 /nfs/dbraw/zinc/26/10/54/1170261054.db2.gz BZLJZRSOZGNNSU-QMMMGPOBSA-N 0 0 192.262 2.536 10 0 AFAERN Cc1nnc([C@@H]2C[C@@H]2C2CCCC2)o1 1329276095 1170267249 /nfs/dbraw/zinc/26/72/49/1170267249.db2.gz BAXMZEQELGRLEP-NXEZZACHSA-N 0 0 192.262 2.672 10 0 AFAERN Cc1nnc([C@H]2C[C@H]2C2CCCC2)o1 1329276096 1170267342 /nfs/dbraw/zinc/26/73/42/1170267342.db2.gz BAXMZEQELGRLEP-UWVGGRQHSA-N 0 0 192.262 2.672 10 0 AFAERN Cc1nnc([C@@H]2C[C@H]2C2CCCC2)o1 1329276097 1170267349 /nfs/dbraw/zinc/26/73/49/1170267349.db2.gz BAXMZEQELGRLEP-VHSXEESVSA-N 0 0 192.262 2.672 10 0 AFAERN Cc1nnc([C@H]2C[C@@H]2C2CCCC2)o1 1329276098 1170267675 /nfs/dbraw/zinc/26/76/75/1170267675.db2.gz BAXMZEQELGRLEP-ZJUUUORDSA-N 0 0 192.262 2.672 10 0 AFAERN Cc1nnc(CCCCC(C)C)o1 1330065835 1170275699 /nfs/dbraw/zinc/27/56/99/1170275699.db2.gz HVGHLDFUQFSRET-UHFFFAOYSA-N 0 0 182.267 2.747 10 0 AFAERN CCCCCNc1nc(C)ncc1C 1330505059 1170281017 /nfs/dbraw/zinc/28/10/17/1170281017.db2.gz ZMIJYSXZPGNUQH-UHFFFAOYSA-N 0 0 193.294 2.696 10 0 AFAERN CCC[C@H](C)Nc1ncc(C)o1 1331074956 1170286342 /nfs/dbraw/zinc/28/63/42/1170286342.db2.gz OATZCPZAXGWUKZ-ZETCQYMHSA-N 0 0 168.240 2.584 10 0 AFAERN CCC[C@@H](C)Nc1ncc(C)o1 1331074955 1170287342 /nfs/dbraw/zinc/28/73/42/1170287342.db2.gz OATZCPZAXGWUKZ-SSDOTTSWSA-N 0 0 168.240 2.584 10 0 AFAERN Cc1cc(NC2CC(C)C2)cnc1C 1331501886 1170293498 /nfs/dbraw/zinc/29/34/98/1170293498.db2.gz PIKRIFKFACLGDC-UHFFFAOYSA-N 0 0 190.290 2.909 10 0 AFAERN Cc1nnc([C@H]2CCCC3(CC3)C2)o1 1331839834 1170295558 /nfs/dbraw/zinc/29/55/58/1170295558.db2.gz NISWSOWNLPFRLN-VIFPVBQESA-N 0 0 192.262 2.816 10 0 AFAERN Cc1nnc([C@@H]2CCCC3(CC3)C2)o1 1331839832 1170296893 /nfs/dbraw/zinc/29/68/93/1170296893.db2.gz NISWSOWNLPFRLN-SECBINFHSA-N 0 0 192.262 2.816 10 0 AFAERN CCCOC(=O)c1c(C)cccc1F 1332161727 1170300696 /nfs/dbraw/zinc/30/06/96/1170300696.db2.gz XTMHLMQIGDOASK-UHFFFAOYSA-N 0 0 196.221 2.701 10 0 AFAERN Cc1nn(CCC(C)C)c2c1CCC2 1332220260 1170301689 /nfs/dbraw/zinc/30/16/89/1170301689.db2.gz AYPYRWPHYCCPNS-UHFFFAOYSA-N 0 0 192.306 2.726 10 0 AFAERN CCc1nnc(CC2(C)CCCC2)o1 1333093493 1170316222 /nfs/dbraw/zinc/31/62/22/1170316222.db2.gz DDTZQVJFHNEJRE-UHFFFAOYSA-N 0 0 194.278 2.755 10 0 AFAERN CC[C@@H]1C[C@H]1c1nnc(C(C)(C)C)o1 1333111302 1170316929 /nfs/dbraw/zinc/31/69/29/1170316929.db2.gz NMZLELWCUKQCNI-HTQZYQBOSA-N 0 0 194.278 2.881 10 0 AFAERN CCc1nnc([C@@H]2CCC[C@@H]3C[C@@H]32)o1 1333095997 1170317906 /nfs/dbraw/zinc/31/79/06/1170317906.db2.gz RQJHERGVGXCCRU-HLTSFMKQSA-N 0 0 192.262 2.536 10 0 AFAERN CCc1nnc([C@@H]2CCC[C@H]3C[C@H]32)o1 1333095995 1170318541 /nfs/dbraw/zinc/31/85/41/1170318541.db2.gz RQJHERGVGXCCRU-DJLDLDEBSA-N 0 0 192.262 2.536 10 0 AFAERN CC(C)c1nnc(C2(CCF)CC2)o1 1333104969 1170318592 /nfs/dbraw/zinc/31/85/92/1170318592.db2.gz HGDBMLQJNMYKCX-UHFFFAOYSA-N 0 0 198.241 2.584 10 0 AFAERN C=C/C=C\CCOC(=O)C1(CC)CC1 1333349453 1170322983 /nfs/dbraw/zinc/32/29/83/1170322983.db2.gz DWCIUGHPGCICIE-WAYWQWQTSA-N 0 0 194.274 2.852 10 0 AFAERN COC1(CNc2ccccc2)CCC1 1333319912 1170323272 /nfs/dbraw/zinc/32/32/72/1170323272.db2.gz KTKMUJOHNNVGIU-UHFFFAOYSA-N 0 0 191.274 2.668 10 0 AFAERN C=C/C=C/CCOC(=O)C1(CC)CC1 1333349447 1170323379 /nfs/dbraw/zinc/32/33/79/1170323379.db2.gz DWCIUGHPGCICIE-AATRIKPKSA-N 0 0 194.274 2.852 10 0 AFAERN C=CC(=O)N1CCC[C@H]1[C@H](C)CCC 1335323241 1170352585 /nfs/dbraw/zinc/35/25/85/1170352585.db2.gz DTGKTXDVTKKDFO-MNOVXSKESA-N 0 0 195.306 2.600 10 0 AFAERN C=CC(=O)N1CCC[C@H]1[C@@H](C)CCC 1335323242 1170353887 /nfs/dbraw/zinc/35/38/87/1170353887.db2.gz DTGKTXDVTKKDFO-QWRGUYRKSA-N 0 0 195.306 2.600 10 0 AFAERN C=CC(=O)N1CCC[C@@H]1[C@H](C)CCC 1335323240 1170354094 /nfs/dbraw/zinc/35/40/94/1170354094.db2.gz DTGKTXDVTKKDFO-GHMZBOCLSA-N 0 0 195.306 2.600 10 0 AFAERN C=CC(=O)N1CCC[C@@H]1[C@@H](C)CCC 1335323243 1170354469 /nfs/dbraw/zinc/35/44/69/1170354469.db2.gz DTGKTXDVTKKDFO-WDEREUQCSA-N 0 0 195.306 2.600 10 0 AFAERN C=CC(=O)NCC[C@H]1CCCC1(C)C 1335860337 1170361186 /nfs/dbraw/zinc/36/11/86/1170361186.db2.gz NLOCUAYQIZOHHS-SNVBAGLBSA-N 0 0 195.306 2.505 10 0 AFAERN C=CC(=O)NCC[C@@H]1CCCC1(C)C 1335860335 1170363457 /nfs/dbraw/zinc/36/34/57/1170363457.db2.gz NLOCUAYQIZOHHS-JTQLQIEISA-N 0 0 195.306 2.505 10 0 AFAERN c1coc(-c2nc3c(s2)CCC3)c1 1336368090 1170370873 /nfs/dbraw/zinc/37/08/73/1170370873.db2.gz IQVXYHFJHXANNL-UHFFFAOYSA-N 0 0 191.255 2.892 10 0 AFAERN CCCCC(=O)N1CC[C@H]1C(C)(C)C 1336347742 1170371193 /nfs/dbraw/zinc/37/11/93/1170371193.db2.gz AIRYHWZXLDBENP-JTQLQIEISA-N 0 0 197.322 2.824 10 0 AFAERN CCCCC(=O)N1CC[C@@H]1C(C)(C)C 1336347744 1170372150 /nfs/dbraw/zinc/37/21/50/1170372150.db2.gz AIRYHWZXLDBENP-SNVBAGLBSA-N 0 0 197.322 2.824 10 0 AFAERN CCC/C=C/C(=O)N(C)CC1CCC1 1336568667 1170374293 /nfs/dbraw/zinc/37/42/93/1170374293.db2.gz FLZZOJBJJAUGKV-WEVVVXLNSA-N 0 0 195.306 2.601 10 0 AFAERN CCC/C=C\C(=O)N(C)CC1CCC1 1336568666 1170374525 /nfs/dbraw/zinc/37/45/25/1170374525.db2.gz FLZZOJBJJAUGKV-UITAMQMPSA-N 0 0 195.306 2.601 10 0 AFAERN C=CC(=O)N1CC(C)(C)CCC1(C)C 1336701356 1170376854 /nfs/dbraw/zinc/37/68/54/1170376854.db2.gz GJNRTKIRJXKUSH-UHFFFAOYSA-N 0 0 195.306 2.600 10 0 AFAERN C=CC(=O)N1CCC[C@@H](C)[C@@H]1CCC 1336675348 1170376987 /nfs/dbraw/zinc/37/69/87/1170376987.db2.gz DXMQDTXDDTWVCM-MNOVXSKESA-N 0 0 195.306 2.600 10 0 AFAERN C=CC(=O)N1CCC[C@H](C)[C@@H]1CCC 1336675349 1170377051 /nfs/dbraw/zinc/37/70/51/1170377051.db2.gz DXMQDTXDDTWVCM-QWRGUYRKSA-N 0 0 195.306 2.600 10 0 AFAERN C=CC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 1336675359 1170377120 /nfs/dbraw/zinc/37/71/20/1170377120.db2.gz FFSRYPGDUKDLNW-WDEREUQCSA-N 0 0 195.306 2.503 10 0 AFAERN C=CC(=O)N(C)CCCC(CC)CC 1336701055 1170377298 /nfs/dbraw/zinc/37/72/98/1170377298.db2.gz BYANZLKDAVZQPP-UHFFFAOYSA-N 0 0 197.322 2.847 10 0 AFAERN C=CC(=O)N1CCC[C@@H](C)[C@H]1CCC 1336675347 1170377357 /nfs/dbraw/zinc/37/73/57/1170377357.db2.gz DXMQDTXDDTWVCM-GHMZBOCLSA-N 0 0 195.306 2.600 10 0 AFAERN C=CC(=O)N1CCC[C@H](C)[C@H]1CCC 1336675350 1170377623 /nfs/dbraw/zinc/37/76/23/1170377623.db2.gz DXMQDTXDDTWVCM-WDEREUQCSA-N 0 0 195.306 2.600 10 0 AFAERN C=CC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 1336675357 1170377650 /nfs/dbraw/zinc/37/76/50/1170377650.db2.gz FFSRYPGDUKDLNW-MNOVXSKESA-N 0 0 195.306 2.503 10 0 AFAERN C=CC(=O)N[C@H]1CCC[C@H](C(C)C)C1 1336675358 1170377678 /nfs/dbraw/zinc/37/76/78/1170377678.db2.gz FFSRYPGDUKDLNW-QWRGUYRKSA-N 0 0 195.306 2.503 10 0 AFAERN C=CC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 1336675356 1170378289 /nfs/dbraw/zinc/37/82/89/1170378289.db2.gz FFSRYPGDUKDLNW-GHMZBOCLSA-N 0 0 195.306 2.503 10 0 AFAERN CCc1ccc(N[C@@H](C)C2CC2)nc1 1337173476 1170389203 /nfs/dbraw/zinc/38/92/03/1170389203.db2.gz AHCJZSIFIDMYDO-VIFPVBQESA-N 0 0 190.290 2.854 10 0 AFAERN CCC(C)(C)C(=O)N[C@H](C)C1(C)CC1 1337521897 1170393822 /nfs/dbraw/zinc/39/38/22/1170393822.db2.gz LBXIOZUQWKRDOM-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)C(=O)N[C@@H](C)C1(C)CC1 1337521898 1170395360 /nfs/dbraw/zinc/39/53/60/1170395360.db2.gz LBXIOZUQWKRDOM-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)CCNc1nncs1 1337725496 1170396517 /nfs/dbraw/zinc/39/65/17/1170396517.db2.gz RCWOVISBYJXPIY-QMMMGPOBSA-N 0 0 199.323 2.776 10 0 AFAERN CCC[C@@H](C)CCNc1nncs1 1337725495 1170397135 /nfs/dbraw/zinc/39/71/35/1170397135.db2.gz RCWOVISBYJXPIY-MRVPVSSYSA-N 0 0 199.323 2.776 10 0 AFAERN CCc1ccc(NC2CCC2)nc1 1337850887 1170399488 /nfs/dbraw/zinc/39/94/88/1170399488.db2.gz DNTGXZUPTPTFFF-UHFFFAOYSA-N 0 0 176.263 2.608 10 0 AFAERN CCC[C@H](C)C(=O)Nc1ccns1 1338111112 1170408564 /nfs/dbraw/zinc/40/85/64/1170408564.db2.gz QZRLRTYNWNMMPG-ZETCQYMHSA-N 0 0 198.291 2.518 10 0 AFAERN CCC[C@@H](C)C(=O)Nc1ccns1 1338111111 1170408877 /nfs/dbraw/zinc/40/88/77/1170408877.db2.gz QZRLRTYNWNMMPG-SSDOTTSWSA-N 0 0 198.291 2.518 10 0 AFAERN Cc1occc1-c1nnc(C(C)C)o1 1341245825 1170433739 /nfs/dbraw/zinc/43/37/39/1170433739.db2.gz GZMBLRWCXBJOTR-UHFFFAOYSA-N 0 0 192.218 2.761 10 0 AFAERN CC[C@@H](C)c1nnc(-c2ccoc2)o1 1341488000 1170437524 /nfs/dbraw/zinc/43/75/24/1170437524.db2.gz DVNLJHDDYNUKDB-SSDOTTSWSA-N 0 0 192.218 2.843 10 0 AFAERN CC[C@H](C)c1nnc(-c2ccoc2)o1 1341488001 1170437537 /nfs/dbraw/zinc/43/75/37/1170437537.db2.gz DVNLJHDDYNUKDB-ZETCQYMHSA-N 0 0 192.218 2.843 10 0 AFAERN C/C=C/C=C\c1nnc(CC(C)C)o1 1341566550 1170438597 /nfs/dbraw/zinc/43/85/97/1170438597.db2.gz HMOXTFBQNSSENW-DEQVHDEQSA-N 0 0 192.262 2.857 10 0 AFAERN CC[C@@H](F)C(=O)OCCCC(C)C 1342224047 1170445255 /nfs/dbraw/zinc/44/52/55/1170445255.db2.gz CCONPOKXSMMCQG-SECBINFHSA-N 0 0 190.258 2.714 10 0 AFAERN CC[C@H](F)C(=O)OCCCC(C)C 1342224053 1170445864 /nfs/dbraw/zinc/44/58/64/1170445864.db2.gz CCONPOKXSMMCQG-VIFPVBQESA-N 0 0 190.258 2.714 10 0 AFAERN CC[C@H](C)C(=O)OC[C@@H]1CC12CCC2 1343953465 1170459241 /nfs/dbraw/zinc/45/92/41/1170459241.db2.gz OJHGTGJKKFTQGB-UWVGGRQHSA-N 0 0 196.290 2.766 10 0 AFAERN CCCC(=O)OC[C@@H]1CC12CCC2 1343953883 1170460115 /nfs/dbraw/zinc/46/01/15/1170460115.db2.gz RVQCEGAIHKXJTP-VIFPVBQESA-N 0 0 182.263 2.520 10 0 AFAERN CC[C@@H](C)C(=O)OC[C@@H]1CC12CCC2 1343953468 1170460265 /nfs/dbraw/zinc/46/02/65/1170460265.db2.gz OJHGTGJKKFTQGB-ZJUUUORDSA-N 0 0 196.290 2.766 10 0 AFAERN CC[C@H](C)C(=O)OC[C@H]1CC12CCC2 1343953467 1170460432 /nfs/dbraw/zinc/46/04/32/1170460432.db2.gz OJHGTGJKKFTQGB-VHSXEESVSA-N 0 0 196.290 2.766 10 0 AFAERN CC1(C(=O)OC[C@@H]2CC23CCC3)CC1 1343952305 1170460494 /nfs/dbraw/zinc/46/04/94/1170460494.db2.gz CWFDYUNNCAJCTP-VIFPVBQESA-N 0 0 194.274 2.520 10 0 AFAERN CCCC(=O)OC[C@H]1CC12CCC2 1343953881 1170460590 /nfs/dbraw/zinc/46/05/90/1170460590.db2.gz RVQCEGAIHKXJTP-SECBINFHSA-N 0 0 182.263 2.520 10 0 AFAERN CC[C@@H](C)C(=O)OC[C@H]1CC12CCC2 1343953461 1170460637 /nfs/dbraw/zinc/46/06/37/1170460637.db2.gz OJHGTGJKKFTQGB-NXEZZACHSA-N 0 0 196.290 2.766 10 0 AFAERN CC1(C(=O)OC[C@H]2CC23CCC3)CC1 1343952302 1170460755 /nfs/dbraw/zinc/46/07/55/1170460755.db2.gz CWFDYUNNCAJCTP-SECBINFHSA-N 0 0 194.274 2.520 10 0 AFAERN C[C@@H](OC(=O)CC1CC1)[C@H]1CC12CC2 1343939596 1170461016 /nfs/dbraw/zinc/46/10/16/1170461016.db2.gz BFYAFZKURNCTDC-PSASIEDQSA-N 0 0 194.274 2.518 10 0 AFAERN C[C@@H](OC(=O)CC1CC1)[C@@H]1CC12CC2 1343939599 1170461047 /nfs/dbraw/zinc/46/10/47/1170461047.db2.gz BFYAFZKURNCTDC-SCZZXKLOSA-N 0 0 194.274 2.518 10 0 AFAERN C1CC(SCC[C@H]2CCOC2)C1 1344123245 1170461944 /nfs/dbraw/zinc/46/19/44/1170461944.db2.gz CMKWUJAPWBVCHR-SECBINFHSA-N 0 0 186.320 2.699 10 0 AFAERN C1CC(SCC[C@@H]2CCOC2)C1 1344123301 1170462383 /nfs/dbraw/zinc/46/23/83/1170462383.db2.gz CMKWUJAPWBVCHR-VIFPVBQESA-N 0 0 186.320 2.699 10 0 AFAERN CC/C=C\CNC(=O)/C=C(/C)CCC 1344400789 1170464312 /nfs/dbraw/zinc/46/43/12/1170464312.db2.gz FXNJTQSBKRGLAU-QOXWLJPHSA-N 0 0 195.306 2.815 10 0 AFAERN CC/C=C/CNC(=O)/C=C(/C)CCC 1344400790 1170464837 /nfs/dbraw/zinc/46/48/37/1170464837.db2.gz FXNJTQSBKRGLAU-WFKFFMJQSA-N 0 0 195.306 2.815 10 0 AFAERN CC/C=C\CNC(=O)/C=C(\C)CCC 1344400708 1170464865 /nfs/dbraw/zinc/46/48/65/1170464865.db2.gz FXNJTQSBKRGLAU-JFEAUALZSA-N 0 0 195.306 2.815 10 0 AFAERN CC/C=C/CNC(=O)/C=C(\C)CCC 1344400788 1170465572 /nfs/dbraw/zinc/46/55/72/1170465572.db2.gz FXNJTQSBKRGLAU-MVQNEBOGSA-N 0 0 195.306 2.815 10 0 AFAERN CC/C=C\COC(=O)C1(C2CC2)CC1 1345143752 1170469450 /nfs/dbraw/zinc/46/94/50/1170469450.db2.gz IVLFGKZPTQUJLE-ARJAWSKDSA-N 0 0 194.274 2.686 10 0 AFAERN C=C/C=C\CCOC(=O)C(C)(C)C 1345161987 1170469629 /nfs/dbraw/zinc/46/96/29/1170469629.db2.gz BVMOYMABPKBYKG-SREVYHEPSA-N 0 0 182.263 2.708 10 0 AFAERN CC[C@H](OC(=O)C1CC1)C1CCC1 1345179117 1170469762 /nfs/dbraw/zinc/46/97/62/1170469762.db2.gz DYMQHNBHVMXGCO-JTQLQIEISA-N 0 0 182.263 2.518 10 0 AFAERN CC[C@@H](OC(=O)C1CC1)C1CCC1 1345179119 1170470133 /nfs/dbraw/zinc/47/01/33/1170470133.db2.gz DYMQHNBHVMXGCO-SNVBAGLBSA-N 0 0 182.263 2.518 10 0 AFAERN CC/C=C/COC(=O)C1(C2CC2)CC1 1345143755 1170470176 /nfs/dbraw/zinc/47/01/76/1170470176.db2.gz IVLFGKZPTQUJLE-ONEGZZNKSA-N 0 0 194.274 2.686 10 0 AFAERN C=C/C=C/CCOC(=O)C(C)(C)C 1345161988 1170470336 /nfs/dbraw/zinc/47/03/36/1170470336.db2.gz BVMOYMABPKBYKG-VOTSOKGWSA-N 0 0 182.263 2.708 10 0 AFAERN CC/C=C/COC(=O)[C@@]12CCC[C@@H]1C2 1345193182 1170470367 /nfs/dbraw/zinc/47/03/67/1170470367.db2.gz GYWMSEYIQOGBNY-ISBNUJHVSA-N 0 0 194.274 2.686 10 0 AFAERN CC/C=C\COC(=O)[C@@]12CCC[C@@H]1C2 1345193183 1170470711 /nfs/dbraw/zinc/47/07/11/1170470711.db2.gz GYWMSEYIQOGBNY-YZKQYGISSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)Cc1nnc([C@H]2CC23CC3)o1 1346651158 1170481390 /nfs/dbraw/zinc/48/13/90/1170481390.db2.gz LPYYABVCGXCOSO-MRVPVSSYSA-N 0 0 192.262 2.536 10 0 AFAERN CC(C)Cc1nnc([C@@H]2CC23CC3)o1 1346651159 1170481719 /nfs/dbraw/zinc/48/17/19/1170481719.db2.gz LPYYABVCGXCOSO-QMMMGPOBSA-N 0 0 192.262 2.536 10 0 AFAERN CC[C@@H]1C[C@H]1c1nnc(CC(C)C)o1 1346650506 1170482782 /nfs/dbraw/zinc/48/27/82/1170482782.db2.gz CMEVDXIITKVUES-RKDXNWHRSA-N 0 0 194.278 2.782 10 0 AFAERN C1C[C@@H](SCC2CC2)CS1 1346817885 1170483965 /nfs/dbraw/zinc/48/39/65/1170483965.db2.gz DEHCVNWUJGGMGQ-MRVPVSSYSA-N 0 0 174.334 2.635 10 0 AFAERN C/C=C/COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 1346786749 1170483996 /nfs/dbraw/zinc/48/39/96/1170483996.db2.gz LKORITPHUXMLOK-ZKEFAPGFSA-N 0 0 194.274 2.542 10 0 AFAERN CC[C@H](C)OC(=O)[C@@H]1CCC[C@H]2C[C@H]21 1346786801 1170484120 /nfs/dbraw/zinc/48/41/20/1170484120.db2.gz METJZLSWUAYDJZ-UKKRHICBSA-N 0 0 196.290 2.764 10 0 AFAERN C/C=C\COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 1346786747 1170484348 /nfs/dbraw/zinc/48/43/48/1170484348.db2.gz LKORITPHUXMLOK-XKXJEGEASA-N 0 0 194.274 2.542 10 0 AFAERN C1C[C@H](SCC2CC2)CS1 1346817886 1170484776 /nfs/dbraw/zinc/48/47/76/1170484776.db2.gz DEHCVNWUJGGMGQ-QMMMGPOBSA-N 0 0 174.334 2.635 10 0 AFAERN CC[C@H](C)OC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 1346786802 1170485153 /nfs/dbraw/zinc/48/51/53/1170485153.db2.gz METJZLSWUAYDJZ-ZDCRXTMVSA-N 0 0 196.290 2.764 10 0 AFAERN CC/C(C)=C/C(=O)NC[C@H](C)C(C)C 1347816447 1170496690 /nfs/dbraw/zinc/49/66/90/1170496690.db2.gz RTZGOSRJLBULKR-HUYFXPKMSA-N 0 0 197.322 2.751 10 0 AFAERN CC/C(C)=C/C(=O)NC[C@@H](C)C(C)C 1347816448 1170497588 /nfs/dbraw/zinc/49/75/88/1170497588.db2.gz RTZGOSRJLBULKR-PFEDMVJOSA-N 0 0 197.322 2.751 10 0 AFAERN CC/C(C)=C\C(=O)NC[C@H](C)C(C)C 1347816444 1170498270 /nfs/dbraw/zinc/49/82/70/1170498270.db2.gz RTZGOSRJLBULKR-BRNRAETOSA-N 0 0 197.322 2.751 10 0 AFAERN CC/C(C)=C\C(=O)NC[C@@H](C)C(C)C 1347816449 1170498321 /nfs/dbraw/zinc/49/83/21/1170498321.db2.gz RTZGOSRJLBULKR-ZJRUKIMVSA-N 0 0 197.322 2.751 10 0 AFAERN CC(C)NC(=O)[C@@H](C)[C@H](C)C(C)(C)C 1348696455 1170503545 /nfs/dbraw/zinc/50/35/45/1170503545.db2.gz CYUCHURMYKUNGN-UWVGGRQHSA-N 0 0 199.338 2.829 10 0 AFAERN CC(C)NC(=O)[C@H](C)[C@H](C)C(C)(C)C 1348696457 1170503819 /nfs/dbraw/zinc/50/38/19/1170503819.db2.gz CYUCHURMYKUNGN-ZJUUUORDSA-N 0 0 199.338 2.829 10 0 AFAERN CCC[C@@H](C)SCc1ccn(C)n1 1348585987 1170503898 /nfs/dbraw/zinc/50/38/98/1170503898.db2.gz UFTYMCWEGQWGNH-SECBINFHSA-N 0 0 198.335 2.842 10 0 AFAERN CC(C)NC(=O)[C@H](C)[C@@H](C)C(C)(C)C 1348696454 1170504143 /nfs/dbraw/zinc/50/41/43/1170504143.db2.gz CYUCHURMYKUNGN-NXEZZACHSA-N 0 0 199.338 2.829 10 0 AFAERN CC(C)NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1348696456 1170504368 /nfs/dbraw/zinc/50/43/68/1170504368.db2.gz CYUCHURMYKUNGN-VHSXEESVSA-N 0 0 199.338 2.829 10 0 AFAERN CCC[C@H](C)SCc1ccn(C)n1 1348585988 1170505057 /nfs/dbraw/zinc/50/50/57/1170505057.db2.gz UFTYMCWEGQWGNH-VIFPVBQESA-N 0 0 198.335 2.842 10 0 AFAERN CC[C@H](OC(=O)C1CCC1)C1CCC1 1348879909 1170505501 /nfs/dbraw/zinc/50/55/01/1170505501.db2.gz VFVWHDYMCREHLW-NSHDSACASA-N 0 0 196.290 2.908 10 0 AFAERN C=C/C=C\CCOC(=O)/C=C\SC 1348835873 1170506006 /nfs/dbraw/zinc/50/60/06/1170506006.db2.gz DCPGMDLNBYZUIR-PHSHQRSZSA-N 0 0 198.287 2.539 10 0 AFAERN CC[C@@H](OC(=O)C1CCC1)C1CCC1 1348879906 1170506439 /nfs/dbraw/zinc/50/64/39/1170506439.db2.gz VFVWHDYMCREHLW-LLVKDONJSA-N 0 0 196.290 2.908 10 0 AFAERN O=C(CC1CC1)OC[C@@H]1CC12CCC2 1348867701 1170506447 /nfs/dbraw/zinc/50/64/47/1170506447.db2.gz IBIBPCQKDCWWKS-JTQLQIEISA-N 0 0 194.274 2.520 10 0 AFAERN C=C/C=C/CCOC(=O)/C=C\SC 1348835871 1170506578 /nfs/dbraw/zinc/50/65/78/1170506578.db2.gz DCPGMDLNBYZUIR-ADNKFJFNSA-N 0 0 198.287 2.539 10 0 AFAERN O=C(CC1CC1)OC[C@H]1CC12CCC2 1348867703 1170506624 /nfs/dbraw/zinc/50/66/24/1170506624.db2.gz IBIBPCQKDCWWKS-SNVBAGLBSA-N 0 0 194.274 2.520 10 0 AFAERN C=C/C=C/CCOC(=O)/C=C/SC 1348835872 1170507026 /nfs/dbraw/zinc/50/70/26/1170507026.db2.gz DCPGMDLNBYZUIR-NNMZAIBHSA-N 0 0 198.287 2.539 10 0 AFAERN C=C/C=C\CCOC(=O)/C=C/SC 1348835874 1170507324 /nfs/dbraw/zinc/50/73/24/1170507324.db2.gz DCPGMDLNBYZUIR-XEQCUQEESA-N 0 0 198.287 2.539 10 0 AFAERN CCON(CC)Cc1csc(C)c1 1349686809 1170512440 /nfs/dbraw/zinc/51/24/40/1170512440.db2.gz CAJKWFLKMHOENR-UHFFFAOYSA-N 0 0 199.319 2.830 10 0 AFAERN CC[C@H](C)c1nnc(CC2(C)CC2)o1 1349974130 1170514902 /nfs/dbraw/zinc/51/49/02/1170514902.db2.gz GXSFJITXXGVDNL-QMMMGPOBSA-N 0 0 194.278 2.926 10 0 AFAERN C=C/C=C/CCOC(=O)CC1(C)CC1 1350006390 1170515625 /nfs/dbraw/zinc/51/56/25/1170515625.db2.gz GQTBELSZFNHGSE-SNAWJCMRSA-N 0 0 194.274 2.852 10 0 AFAERN C=C/C=C\CCOC(=O)CC1(C)CC1 1350006389 1170516169 /nfs/dbraw/zinc/51/61/69/1170516169.db2.gz GQTBELSZFNHGSE-PLNGDYQASA-N 0 0 194.274 2.852 10 0 AFAERN CC[C@@H](C)c1nnc(CC2(C)CC2)o1 1349974129 1170516382 /nfs/dbraw/zinc/51/63/82/1170516382.db2.gz 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CCN(C)C(=O)[C@H](C)[C@@H](C)C(C)(C)C 1354499199 1170550576 /nfs/dbraw/zinc/55/05/76/1170550576.db2.gz JSSFIKHIAKPDMS-NXEZZACHSA-N 0 0 199.338 2.783 10 0 AFAERN CCCC[C@@H](CC)CC(=O)N(C)C#N 1435964559 1170565119 /nfs/dbraw/zinc/56/51/19/1170565119.db2.gz YWVOLJBKOYZTFB-SNVBAGLBSA-N 0 0 196.294 2.532 10 0 AFAERN CCCC(=O)Nc1cc(C(C)C)on1 1440298787 1170565184 /nfs/dbraw/zinc/56/51/84/1170565184.db2.gz WWYLCPSZNNIBFJ-UHFFFAOYSA-N 0 0 196.250 2.537 10 0 AFAERN CCCCC[C@@H](C)CC(=O)N(C)C#N 1435960907 1170565496 /nfs/dbraw/zinc/56/54/96/1170565496.db2.gz JWFLMPDXXRPJEH-SNVBAGLBSA-N 0 0 196.294 2.532 10 0 AFAERN CCCCC[C@H](C)CC(=O)N(C)C#N 1435960898 1170565510 /nfs/dbraw/zinc/56/55/10/1170565510.db2.gz JWFLMPDXXRPJEH-JTQLQIEISA-N 0 0 196.294 2.532 10 0 AFAERN CCCC[C@H](CC)CC(=O)N(C)C#N 1435964548 1170565677 /nfs/dbraw/zinc/56/56/77/1170565677.db2.gz YWVOLJBKOYZTFB-JTQLQIEISA-N 0 0 196.294 2.532 10 0 AFAERN C=C/C=C/CC(=O)N[C@H](C)[C@@H](C)CC 1444358275 1170566479 /nfs/dbraw/zinc/56/64/79/1170566479.db2.gz YUPNQFQHAHECOV-IAYMVZNDSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C/CC(=O)N[C@H](C)[C@H](C)CC 1444358351 1170566698 /nfs/dbraw/zinc/56/66/98/1170566698.db2.gz YUPNQFQHAHECOV-QSNNZYTBSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C\CC(=O)N[C@H](C)[C@@H](C)CC 1444358345 1170567271 /nfs/dbraw/zinc/56/72/71/1170567271.db2.gz YUPNQFQHAHECOV-MYEMAUTDSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C\CC(=O)N(CCC)C1CC1 1446809897 1170567617 /nfs/dbraw/zinc/56/76/17/1170567617.db2.gz XHKGRACBZAGIFE-WAYWQWQTSA-N 0 0 193.290 2.520 10 0 AFAERN C=C/C=C/CC(=O)N(CCC)C1CC1 1446809813 1170567912 /nfs/dbraw/zinc/56/79/12/1170567912.db2.gz XHKGRACBZAGIFE-AATRIKPKSA-N 0 0 193.290 2.520 10 0 AFAERN C=C/C=C\CC(=O)N[C@H](C)[C@H](C)CC 1444358356 1170567917 /nfs/dbraw/zinc/56/79/17/1170567917.db2.gz YUPNQFQHAHECOV-YTHBOFTNSA-N 0 0 195.306 2.670 10 0 AFAERN CCC/C(C)=C/C(=O)N(CC)OCC 1454928801 1170571440 /nfs/dbraw/zinc/57/14/40/1170571440.db2.gz QAXHEIWTAYEAIZ-MDZDMXLPSA-N 0 0 199.294 2.533 10 0 AFAERN CCC/C(C)=C\C(=O)N(CC)OCC 1454928800 1170571710 /nfs/dbraw/zinc/57/17/10/1170571710.db2.gz QAXHEIWTAYEAIZ-KTKRTIGZSA-N 0 0 199.294 2.533 10 0 AFAERN CC(C)CCCCNC(=O)C1(C)CC1 1456687544 1170573080 /nfs/dbraw/zinc/57/30/80/1170573080.db2.gz SEMNEWPIJZEVBF-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)CCCCCC(=O)N(C)C#N 1459221880 1170574588 /nfs/dbraw/zinc/57/45/88/1170574588.db2.gz AIVVZSATHVIANP-UHFFFAOYSA-N 0 0 196.294 2.532 10 0 AFAERN CCCCCC(C)(C)C(=O)N(C)C#N 1459223809 1170574705 /nfs/dbraw/zinc/57/47/05/1170574705.db2.gz CFAAEOPSWVGDCW-UHFFFAOYSA-N 0 0 196.294 2.532 10 0 AFAERN CC[C@@H]1C[C@H]1CN(CC(C)(C)C)OC 1460070877 1170576828 /nfs/dbraw/zinc/57/68/28/1170576828.db2.gz OBQHBVMEWSROCX-MNOVXSKESA-N 0 0 199.338 2.942 10 0 AFAERN CCCCN(Cc1ccc(C)o1)OC 1460807339 1170578519 /nfs/dbraw/zinc/57/85/19/1170578519.db2.gz JBTXEWQOAFEMLM-UHFFFAOYSA-N 0 0 197.278 2.752 10 0 AFAERN CC(C)=CCN1CCC=C(Cl)C1 1460399069 1170580351 /nfs/dbraw/zinc/58/03/51/1170580351.db2.gz SMXGVMOFMZHEOG-UHFFFAOYSA-N 0 0 185.698 2.781 10 0 AFAERN CC(C)CCC(=O)Nc1ccsn1 1462401687 1170584848 /nfs/dbraw/zinc/58/48/48/1170584848.db2.gz HLYCFVWLPLCESP-UHFFFAOYSA-N 0 0 198.291 2.518 10 0 AFAERN CCC(C)(C)C(=O)Nc1ccsn1 1462401218 1170584943 /nfs/dbraw/zinc/58/49/43/1170584943.db2.gz FJQIEJNJQWFQFB-UHFFFAOYSA-N 0 0 198.291 2.518 10 0 AFAERN C=C/C=C\CC(=O)N1CCCC1(C)C 1465132165 1170589151 /nfs/dbraw/zinc/58/91/51/1170589151.db2.gz OXUMUFUZWHKURA-WAYWQWQTSA-N 0 0 193.290 2.520 10 0 AFAERN C=C/C=C/CC(=O)N1CCCC1(C)C 1465132164 1170589392 /nfs/dbraw/zinc/58/93/92/1170589392.db2.gz OXUMUFUZWHKURA-AATRIKPKSA-N 0 0 193.290 2.520 10 0 AFAERN CCON(CC)CCC1CCCC1 1473727528 1170596011 /nfs/dbraw/zinc/59/60/11/1170596011.db2.gz JRQLACIWWGDSHV-UHFFFAOYSA-N 0 0 185.311 2.840 10 0 AFAERN CCON(CC)CC(CC)CC 1473727799 1170598081 /nfs/dbraw/zinc/59/80/81/1170598081.db2.gz INOORSZSUNMSPG-UHFFFAOYSA-N 0 0 173.300 2.696 10 0 AFAERN CCON(CC)CC12CCC(CC1)C2 1473727613 1170598134 /nfs/dbraw/zinc/59/81/34/1170598134.db2.gz FLUWVVUDNZZLNU-UHFFFAOYSA-N 0 0 197.322 2.840 10 0 AFAERN O=C(OC[C@]12CCCC[C@H]1C2)C1CC1 1516994741 1170617136 /nfs/dbraw/zinc/61/71/36/1170617136.db2.gz KLYABJKMWSGQMR-CMPLNLGQSA-N 0 0 194.274 2.520 10 0 AFAERN C/C=C(/C)COC(=O)C1(C2CC2)CC1 1515653077 1170613905 /nfs/dbraw/zinc/61/39/05/1170613905.db2.gz KHWNXTCQZIDEKL-OQFOIZHKSA-N 0 0 194.274 2.686 10 0 AFAERN C/C=C(\C)COC(=O)C1(C2CC2)CC1 1515653085 1170614344 /nfs/dbraw/zinc/61/43/44/1170614344.db2.gz KHWNXTCQZIDEKL-YCRREMRBSA-N 0 0 194.274 2.686 10 0 AFAERN CC1(CCC(=O)O[C@H]2C=CCC2)CC1 1517834218 1170616629 /nfs/dbraw/zinc/61/66/29/1170616629.db2.gz FVUSOUJPUHKLCI-JTQLQIEISA-N 0 0 194.274 2.829 10 0 AFAERN CC1(CCC(=O)O[C@@H]2C=CCC2)CC1 1517834293 1170616889 /nfs/dbraw/zinc/61/68/89/1170616889.db2.gz FVUSOUJPUHKLCI-SNVBAGLBSA-N 0 0 194.274 2.829 10 0 AFAERN O=C(OC[C@@]12CCCC[C@@H]1C2)C1CC1 1516994857 1170617117 /nfs/dbraw/zinc/61/71/17/1170617117.db2.gz KLYABJKMWSGQMR-PWSUYJOCSA-N 0 0 194.274 2.520 10 0 AFAERN CC[C@@H](F)C(=O)Oc1cccc(C)c1 1521842188 1170626542 /nfs/dbraw/zinc/62/65/42/1170626542.db2.gz DGWWAPXRGJXMNV-SNVBAGLBSA-N 0 0 196.221 2.649 10 0 AFAERN CC[C@H](F)C(=O)Oc1cccc(C)c1 1521842185 1170628123 /nfs/dbraw/zinc/62/81/23/1170628123.db2.gz DGWWAPXRGJXMNV-JTQLQIEISA-N 0 0 196.221 2.649 10 0 AFAERN O=C(CC1CC1)OC[C@@]12CCC[C@@H]1C2 1526008474 1170634704 /nfs/dbraw/zinc/63/47/04/1170634704.db2.gz CNISYAMEHRBSTD-PWSUYJOCSA-N 0 0 194.274 2.520 10 0 AFAERN CC(=O)O[C@H](C)c1cc(C)ccc1C 1527929489 1170635300 /nfs/dbraw/zinc/63/53/00/1170635300.db2.gz COLVDPCKCBPWJB-SNVBAGLBSA-N 0 0 192.258 2.928 10 0 AFAERN C/C=C(/C)C(=O)N1CC[C@H](CC)[C@H]1C 1529572926 1170640091 /nfs/dbraw/zinc/64/00/91/1170640091.db2.gz CJKGNYRTYCWJGX-NVIAFKCQSA-N 0 0 195.306 2.600 10 0 AFAERN C/C=C(\C)C(=O)N1CC[C@H](CC)[C@H]1C 1529572921 1170640533 /nfs/dbraw/zinc/64/05/33/1170640533.db2.gz CJKGNYRTYCWJGX-DTGHLQKHSA-N 0 0 195.306 2.600 10 0 AFAERN CCCCCC(=O)Nc1ccsn1 1533254586 1170641271 /nfs/dbraw/zinc/64/12/71/1170641271.db2.gz NCMQLWGCOLEYNT-UHFFFAOYSA-N 0 0 198.291 2.662 10 0 AFAERN C/C=C(/C)C(=O)N1CC[C@H](CC)[C@@H]1C 1529572929 1170641249 /nfs/dbraw/zinc/64/12/49/1170641249.db2.gz CJKGNYRTYCWJGX-ZUBHOKJJSA-N 0 0 195.306 2.600 10 0 AFAERN C/C=C(\C)C(=O)N1CC[C@H](CC)[C@@H]1C 1529572927 1170641409 /nfs/dbraw/zinc/64/14/09/1170641409.db2.gz CJKGNYRTYCWJGX-VREQRIBMSA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)CCCCNC(=O)CC1CC1 1532223571 1170641425 /nfs/dbraw/zinc/64/14/25/1170641425.db2.gz PEOZESJZVINDSH-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN C/C=C(/C)C(=O)NCCCCC(C)C 1532224171 1170641483 /nfs/dbraw/zinc/64/14/83/1170641483.db2.gz YCQURTZSULPVSV-WZUFQYTHSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C(\C)C(=O)NCCCCC(C)C 1532224169 1170641784 /nfs/dbraw/zinc/64/17/84/1170641784.db2.gz YCQURTZSULPVSV-VZUCSPMQSA-N 0 0 197.322 2.895 10 0 AFAERN CCC(=O)N1CCCCC[C@@H]1C(C)C 1537101466 1170642524 /nfs/dbraw/zinc/64/25/24/1170642524.db2.gz AKBORLSUJIBRKR-LLVKDONJSA-N 0 0 197.322 2.824 10 0 AFAERN CCC(=O)N1CCCCC[C@H]1C(C)C 1537101467 1170642585 /nfs/dbraw/zinc/64/25/85/1170642585.db2.gz AKBORLSUJIBRKR-NSHDSACASA-N 0 0 197.322 2.824 10 0 AFAERN CC[C@H](C)CCCCC(=O)N(C)C#N 1537751867 1170643077 /nfs/dbraw/zinc/64/30/77/1170643077.db2.gz JMBCKUSVXYOFTA-JTQLQIEISA-N 0 0 196.294 2.532 10 0 AFAERN CC[C@@H](C)CCCCC(=O)N(C)C#N 1537751868 1170643127 /nfs/dbraw/zinc/64/31/27/1170643127.db2.gz JMBCKUSVXYOFTA-SNVBAGLBSA-N 0 0 196.294 2.532 10 0 AFAERN CCC(CC)C(=O)Nc1ccsn1 1536147026 1170643378 /nfs/dbraw/zinc/64/33/78/1170643378.db2.gz KPRQZFORCWEZMY-UHFFFAOYSA-N 0 0 198.291 2.518 10 0 AFAERN C=C/C=C/CC(=O)N(C)[C@H](C)C(C)C 1540669108 1170646620 /nfs/dbraw/zinc/64/66/20/1170646620.db2.gz KXYFWFRTOZVPMP-WSKFYRRCSA-N 0 0 195.306 2.622 10 0 AFAERN C=C/C=C/CC(=O)N(C)[C@@H](C)C(C)C 1540669105 1170647492 /nfs/dbraw/zinc/64/74/92/1170647492.db2.gz KXYFWFRTOZVPMP-AEZGRPFRSA-N 0 0 195.306 2.622 10 0 AFAERN C=C/C=C\CC(=O)N(C)[C@H](C)C(C)C 1540669106 1170647641 /nfs/dbraw/zinc/64/76/41/1170647641.db2.gz KXYFWFRTOZVPMP-SKVAFPRGSA-N 0 0 195.306 2.622 10 0 AFAERN C=C/C=C\CC(=O)N(C)[C@@H](C)C(C)C 1540669107 1170647896 /nfs/dbraw/zinc/64/78/96/1170647896.db2.gz KXYFWFRTOZVPMP-TVRMLOFPSA-N 0 0 195.306 2.622 10 0 AFAERN C=C/C=C\CC(=O)NCCCC(C)C 1543559640 1170648823 /nfs/dbraw/zinc/64/88/23/1170648823.db2.gz ZUVQQRKCIBLLPD-WAYWQWQTSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C=C/CC(=O)NC1(C)CCCC1 1542335243 1170648926 /nfs/dbraw/zinc/64/89/26/1170648926.db2.gz YORIERPGFTWHAB-SNAWJCMRSA-N 0 0 193.290 2.568 10 0 AFAERN C=C/C=C\CC(=O)NC1(C)CCCC1 1542335242 1170649660 /nfs/dbraw/zinc/64/96/60/1170649660.db2.gz YORIERPGFTWHAB-PLNGDYQASA-N 0 0 193.290 2.568 10 0 AFAERN C=C/C=C/CC(=O)NCCCC(C)C 1543559639 1170649754 /nfs/dbraw/zinc/64/97/54/1170649754.db2.gz ZUVQQRKCIBLLPD-AATRIKPKSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C=C/CC(=O)NCC(C)(C)CC 1556194097 1170650324 /nfs/dbraw/zinc/65/03/24/1170650324.db2.gz MFVKRPHKCVNCRU-BQYQJAHWSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C=C\CC(=O)N(C(C)C)C1CC1 1546339704 1170650539 /nfs/dbraw/zinc/65/05/39/1170650539.db2.gz QDALNNHJMUGDSF-WAYWQWQTSA-N 0 0 193.290 2.518 10 0 AFAERN C=C/C=C\CC(=O)NCC(C)(C)CC 1556194098 1170651188 /nfs/dbraw/zinc/65/11/88/1170651188.db2.gz MFVKRPHKCVNCRU-FPLPWBNLSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C=C/CC(=O)N(C(C)C)C1CC1 1546339703 1170651892 /nfs/dbraw/zinc/65/18/92/1170651892.db2.gz QDALNNHJMUGDSF-AATRIKPKSA-N 0 0 193.290 2.518 10 0 AFAERN CC[C@@H](C)[C@H](C)SCCOC 1559377132 1170654948 /nfs/dbraw/zinc/65/49/48/1170654948.db2.gz DLDUPDGWXPGIJY-BDAKNGLRSA-N 0 0 176.325 2.801 10 0 AFAERN CC[C@@H](C)[C@@H](C)Sc1nccn1C 1559327497 1170655366 /nfs/dbraw/zinc/65/53/66/1170655366.db2.gz HOSYZUGFEXTVIF-RKDXNWHRSA-N 0 0 198.335 2.947 10 0 AFAERN CC[C@H](C)[C@H](C)SCCOC 1559377134 1170655387 /nfs/dbraw/zinc/65/53/87/1170655387.db2.gz DLDUPDGWXPGIJY-IUCAKERBSA-N 0 0 176.325 2.801 10 0 AFAERN CC[C@@H](C)[C@H](C)Sc1nccn1C 1559327494 1170655462 /nfs/dbraw/zinc/65/54/62/1170655462.db2.gz HOSYZUGFEXTVIF-BDAKNGLRSA-N 0 0 198.335 2.947 10 0 AFAERN C=C/C=C\CCSc1ncccn1 1559326469 1170655522 /nfs/dbraw/zinc/65/55/22/1170655522.db2.gz HJCSRVLCLLVPQO-ARJAWSKDSA-N 0 0 192.287 2.701 10 0 AFAERN CC[C@H](C)[C@@H](C)Sc1nccn1C 1559327495 1170655566 /nfs/dbraw/zinc/65/55/66/1170655566.db2.gz HOSYZUGFEXTVIF-DTWKUNHWSA-N 0 0 198.335 2.947 10 0 AFAERN CC[C@H](C)[C@@H](C)SCCOC 1559377133 1170655575 /nfs/dbraw/zinc/65/55/75/1170655575.db2.gz DLDUPDGWXPGIJY-DTWKUNHWSA-N 0 0 176.325 2.801 10 0 AFAERN C=C/C=C/CCSc1ncccn1 1559326470 1170655584 /nfs/dbraw/zinc/65/55/84/1170655584.db2.gz HJCSRVLCLLVPQO-ONEGZZNKSA-N 0 0 192.287 2.701 10 0 AFAERN CC[C@H](C)[C@H](C)Sc1nccn1C 1559327496 1170655606 /nfs/dbraw/zinc/65/56/06/1170655606.db2.gz HOSYZUGFEXTVIF-IUCAKERBSA-N 0 0 198.335 2.947 10 0 AFAERN CC[C@@H](C)[C@@H](C)SCCOC 1559377135 1170655631 /nfs/dbraw/zinc/65/56/31/1170655631.db2.gz DLDUPDGWXPGIJY-RKDXNWHRSA-N 0 0 176.325 2.801 10 0 AFAERN CCN1c2ccccc2CC1(C)C 1560042874 1170658595 /nfs/dbraw/zinc/65/85/95/1170658595.db2.gz DBTBYZFHUAFLTL-UHFFFAOYSA-N 0 0 175.275 2.848 10 0 AFAERN CCON(CC)CCCC1CCC1 1560081105 1170658904 /nfs/dbraw/zinc/65/89/04/1170658904.db2.gz SKHXIZQMGMZVFU-UHFFFAOYSA-N 0 0 185.311 2.840 10 0 AFAERN CCON(CC)CCCC(C)C 1560080682 1170660425 /nfs/dbraw/zinc/66/04/25/1170660425.db2.gz JDBPTTPZVUSSHG-UHFFFAOYSA-N 0 0 173.300 2.696 10 0 AFAERN CC(C)C[C@@H](C)CN1CC(F)(F)C1 1561054822 1170667175 /nfs/dbraw/zinc/66/71/75/1170667175.db2.gz BOZZTSDUAUTQEC-SECBINFHSA-N 0 0 191.265 2.620 10 0 AFAERN CC[C@@H](NC[C@@H]1C[C@H]1C)C(F)(F)F 1561058186 1170667312 /nfs/dbraw/zinc/66/73/12/1170667312.db2.gz JEUGHUINEVEPOQ-GJMOJQLCSA-N 0 0 195.228 2.573 10 0 AFAERN CC[C@@H](NC[C@H]1C[C@H]1C)C(F)(F)F 1561058185 1170667521 /nfs/dbraw/zinc/66/75/21/1170667521.db2.gz JEUGHUINEVEPOQ-BWZBUEFSSA-N 0 0 195.228 2.573 10 0 AFAERN CC[C@@H](NC[C@@H]1C[C@@H]1C)C(F)(F)F 1561058184 1170667656 /nfs/dbraw/zinc/66/76/56/1170667656.db2.gz JEUGHUINEVEPOQ-BIIVOSGPSA-N 0 0 195.228 2.573 10 0 AFAERN CC[C@@H](NC[C@H]1C[C@@H]1C)C(F)(F)F 1561058187 1170668227 /nfs/dbraw/zinc/66/82/27/1170668227.db2.gz JEUGHUINEVEPOQ-XLPZGREQSA-N 0 0 195.228 2.573 10 0 AFAERN CC(C)C[C@H](C)CN1CC(F)(F)C1 1561054823 1170668546 /nfs/dbraw/zinc/66/85/46/1170668546.db2.gz BOZZTSDUAUTQEC-VIFPVBQESA-N 0 0 191.265 2.620 10 0 AFAERN C=C/C=C/CC(=O)N[C@H](C)CC(C)C 1566681217 1170669510 /nfs/dbraw/zinc/66/95/10/1170669510.db2.gz RCTOFGKLWYPNPG-XUIVZRPNSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C\CC(=O)N[C@H](C)CC(C)C 1566681215 1170670461 /nfs/dbraw/zinc/67/04/61/1170670461.db2.gz RCTOFGKLWYPNPG-JMEBYUIHSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C\CC(=O)N[C@@H](C)CC(C)C 1566681218 1170670559 /nfs/dbraw/zinc/67/05/59/1170670559.db2.gz RCTOFGKLWYPNPG-ZADCQDASSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C/CC(=O)N[C@@H](C)CC(C)C 1566681216 1170671070 /nfs/dbraw/zinc/67/10/70/1170671070.db2.gz RCTOFGKLWYPNPG-MLRMMBSGSA-N 0 0 195.306 2.670 10 0 AFAERN C=C/C=C/CC(=O)N[C@@H](CC)CCC 1584139147 1170764982 /nfs/dbraw/zinc/76/49/82/1170764982.db2.gz OHKRQMTULDDBRU-AEZGRPFRSA-N 0 0 195.306 2.814 10 0 AFAERN C=C/C=C\CC(=O)N[C@H](CC)CCC 1584139148 1170766009 /nfs/dbraw/zinc/76/60/09/1170766009.db2.gz OHKRQMTULDDBRU-SKVAFPRGSA-N 0 0 195.306 2.814 10 0 AFAERN C=C/C=C\CC(=O)N[C@@H](CC)CCC 1584139149 1170766162 /nfs/dbraw/zinc/76/61/62/1170766162.db2.gz OHKRQMTULDDBRU-TVRMLOFPSA-N 0 0 195.306 2.814 10 0 AFAERN C=C/C=C/CC(=O)N[C@H](CC)CCC 1584139150 1170766815 /nfs/dbraw/zinc/76/68/15/1170766815.db2.gz OHKRQMTULDDBRU-WSKFYRRCSA-N 0 0 195.306 2.814 10 0 AFAERN CCCCCC(=O)N1CC2(CCC2)C1 1595527060 1170769699 /nfs/dbraw/zinc/76/96/99/1170769699.db2.gz NRFKHPYROOYIOM-UHFFFAOYSA-N 0 0 195.306 2.579 10 0 AFAERN CC[C@@H](C)CC(=O)Nc1ccsn1 1597911179 1170770053 /nfs/dbraw/zinc/77/00/53/1170770053.db2.gz APLBJPDSNXCRSH-SSDOTTSWSA-N 0 0 198.291 2.518 10 0 AFAERN C=C/C=C/CC(=O)N(C)[C@@H](C)CCC 1595746281 1170770209 /nfs/dbraw/zinc/77/02/09/1170770209.db2.gz GURAKXZSPVVBID-AEZGRPFRSA-N 0 0 195.306 2.766 10 0 AFAERN CCc1cc(C)c(OC(C)=O)c(C)c1 1596090692 1170770479 /nfs/dbraw/zinc/77/04/79/1170770479.db2.gz BDVXSLVPMJVQMV-UHFFFAOYSA-N 0 0 192.258 2.791 10 0 AFAERN C=C/C=C\CC(=O)N(C)[C@H](C)CCC 1595746282 1170770785 /nfs/dbraw/zinc/77/07/85/1170770785.db2.gz GURAKXZSPVVBID-SKVAFPRGSA-N 0 0 195.306 2.766 10 0 AFAERN CCC[C@H](C)C(=O)Nc1ccsn1 1597912557 1170771098 /nfs/dbraw/zinc/77/10/98/1170771098.db2.gz STRHDYXRIHHWSD-ZETCQYMHSA-N 0 0 198.291 2.518 10 0 AFAERN C=C/C=C\CC(=O)N(C)[C@@H](C)CCC 1595746283 1170771531 /nfs/dbraw/zinc/77/15/31/1170771531.db2.gz GURAKXZSPVVBID-TVRMLOFPSA-N 0 0 195.306 2.766 10 0 AFAERN CC[C@H](C)CC(=O)Nc1ccsn1 1597911180 1170771989 /nfs/dbraw/zinc/77/19/89/1170771989.db2.gz APLBJPDSNXCRSH-ZETCQYMHSA-N 0 0 198.291 2.518 10 0 AFAERN CCC[C@@H](C)C(=O)Nc1ccsn1 1597912555 1170772186 /nfs/dbraw/zinc/77/21/86/1170772186.db2.gz STRHDYXRIHHWSD-SSDOTTSWSA-N 0 0 198.291 2.518 10 0 AFAERN CC(C)(C)CC(=O)Nc1ccsn1 1597905402 1170772250 /nfs/dbraw/zinc/77/22/50/1170772250.db2.gz IFEMCKMQFFKGJR-UHFFFAOYSA-N 0 0 198.291 2.518 10 0 AFAERN C=C/C=C/CC(=O)N(C)[C@H](C)CCC 1595746284 1170772281 /nfs/dbraw/zinc/77/22/81/1170772281.db2.gz GURAKXZSPVVBID-WSKFYRRCSA-N 0 0 195.306 2.766 10 0 AFAERN CCCN1CC(F)(F)CC[C@@H]1C 1620664493 1170821643 /nfs/dbraw/zinc/82/16/43/1170821643.db2.gz HDZQFAZNCOCFDR-QMMMGPOBSA-N 0 0 177.238 2.516 10 0 AFAERN CCCN1CC(F)(F)CC[C@H]1C 1620664492 1170824743 /nfs/dbraw/zinc/82/47/43/1170824743.db2.gz HDZQFAZNCOCFDR-MRVPVSSYSA-N 0 0 177.238 2.516 10 0 AFAERN C=C/C=C/CC(=O)N(CC)CC(C)C 1623391827 1170830066 /nfs/dbraw/zinc/83/00/66/1170830066.db2.gz YNYVSLHEHIIOAU-BQYQJAHWSA-N 0 0 195.306 2.623 10 0 AFAERN C=C/C=C\CC(=O)N(CC)CC(C)C 1623391829 1170830321 /nfs/dbraw/zinc/83/03/21/1170830321.db2.gz YNYVSLHEHIIOAU-FPLPWBNLSA-N 0 0 195.306 2.623 10 0 AFAERN C=C/C=C/CC(=O)N(C)CC(C)(C)C 1627695022 1170839017 /nfs/dbraw/zinc/83/90/17/1170839017.db2.gz HANFDEXUEDDOHR-BQYQJAHWSA-N 0 0 195.306 2.623 10 0 AFAERN C=C/C=C\CC(=O)N(C)CC(C)(C)C 1627695023 1170840665 /nfs/dbraw/zinc/84/06/65/1170840665.db2.gz HANFDEXUEDDOHR-FPLPWBNLSA-N 0 0 195.306 2.623 10 0 AFAERN CC/C=C(\F)C(=O)Nc1ccsc1 1629835757 1170844425 /nfs/dbraw/zinc/84/44/25/1170844425.db2.gz MTYFVMCXZJSTMC-BAQGIRSFSA-N 0 0 199.250 2.950 10 0 AFAERN C=C/C=C/CC(=O)Nc1ccsc1 1629835843 1170844463 /nfs/dbraw/zinc/84/44/63/1170844463.db2.gz PSGCGHYASYJSJU-ONEGZZNKSA-N 0 0 193.271 2.819 10 0 AFAERN C=C/C=C\CC(=O)Nc1ccsc1 1629835842 1170844374 /nfs/dbraw/zinc/84/43/74/1170844374.db2.gz PSGCGHYASYJSJU-ARJAWSKDSA-N 0 0 193.271 2.819 10 0 AFAERN CC/C=C(/F)C(=O)Nc1ccsc1 1629835758 1170844574 /nfs/dbraw/zinc/84/45/74/1170844574.db2.gz MTYFVMCXZJSTMC-FPYGCLRLSA-N 0 0 199.250 2.950 10 0 AFAERN C=C/C=C/CC(=O)N(C)C(C)(C)CC 1635797892 1170851511 /nfs/dbraw/zinc/85/15/11/1170851511.db2.gz VPWNGJVYRDOZMY-CMDGGOBGSA-N 0 0 195.306 2.766 10 0 AFAERN C=C/C=C\CC(=O)N(C)C(C)(C)CC 1635797893 1170851999 /nfs/dbraw/zinc/85/19/99/1170851999.db2.gz VPWNGJVYRDOZMY-HJWRWDBZSA-N 0 0 195.306 2.766 10 0 AFAERN CCc1cn(CCC(C)(C)C)cn1 1641418953 1170857973 /nfs/dbraw/zinc/85/79/73/1170857973.db2.gz VTEUYXFEZRUGPQ-UHFFFAOYSA-N 0 0 180.295 2.882 10 0 AFAERN C=C/C=C/CCn1nnc2ccccc21 1643577397 1170870067 /nfs/dbraw/zinc/87/00/67/1170870067.db2.gz JMDFMVAYGBPRJM-ONEGZZNKSA-N 0 0 199.257 2.564 10 0 AFAERN C=C/C=C\CCn1nnc2ccccc21 1643577396 1170871612 /nfs/dbraw/zinc/87/16/12/1170871612.db2.gz JMDFMVAYGBPRJM-ARJAWSKDSA-N 0 0 199.257 2.564 10 0 AFAERN CCN1CC(C)(C)c2ccc(F)cc21 1646579356 1170881504 /nfs/dbraw/zinc/88/15/04/1170881504.db2.gz YCBQGYXWYRUEAH-UHFFFAOYSA-N 0 0 193.265 2.943 10 0 AFAERN CON(CC1CC(C)C1)CC(C)(C)C 1645533899 1170881606 /nfs/dbraw/zinc/88/16/06/1170881606.db2.gz BHWGAGLVUURMGW-UHFFFAOYSA-N 0 0 199.338 2.942 10 0 AFAERN CC[C@@H](C)[C@@H](C)N1OC2CCC1CC2 1648076211 1170883625 /nfs/dbraw/zinc/88/36/25/1170883625.db2.gz DQTBFKATBUVPML-QYNFOATHSA-N 0 0 197.322 2.979 10 0 AFAERN CC[C@H](C)[C@H](C)N1OC2CCC1CC2 1648076208 1170883707 /nfs/dbraw/zinc/88/37/07/1170883707.db2.gz DQTBFKATBUVPML-JYBOHDQNSA-N 0 0 197.322 2.979 10 0 AFAERN CC(C)(C)CCN1OC2CCC1CC2 1648076922 1170884103 /nfs/dbraw/zinc/88/41/03/1170884103.db2.gz PSFLMICZSHUNJZ-UHFFFAOYSA-N 0 0 197.322 2.981 10 0 AFAERN CCC(CC)CN1OC2CCC1CC2 1648076637 1170884478 /nfs/dbraw/zinc/88/44/78/1170884478.db2.gz LARUYKVYUUQKLP-UHFFFAOYSA-N 0 0 197.322 2.981 10 0 AFAERN CC[C@@H](C)[C@H](C)N1OC2CCC1CC2 1648076209 1170884707 /nfs/dbraw/zinc/88/47/07/1170884707.db2.gz DQTBFKATBUVPML-QKEWWQLBSA-N 0 0 197.322 2.979 10 0 AFAERN CC[C@H](C)[C@@H](C)N1OC2CCC1CC2 1648076207 1170886947 /nfs/dbraw/zinc/88/69/47/1170886947.db2.gz DQTBFKATBUVPML-DMOGRIERSA-N 0 0 197.322 2.979 10 0 AFAERN CCc1cn(CC2=CCCC2)cn1 1652205754 1170895936 /nfs/dbraw/zinc/89/59/36/1170895936.db2.gz NEMPLFWWGXLBAA-UHFFFAOYSA-N 0 0 176.263 2.556 10 0 AFAERN CCc1cn(CC2CCCC2)cn1 1652206597 1170896152 /nfs/dbraw/zinc/89/61/52/1170896152.db2.gz YNFHETFTUYUEIP-UHFFFAOYSA-N 0 0 178.279 2.636 10 0 AFAERN C=C/C=C\CCn1cnc(CC)c1 1652207922 1170898037 /nfs/dbraw/zinc/89/80/37/1170898037.db2.gz JOPNRAMQYNMONF-WAYWQWQTSA-N 0 0 176.263 2.578 10 0 AFAERN CCC[C@@H](C)CCNc1cnccn1 1652177008 1170898471 /nfs/dbraw/zinc/89/84/71/1170898471.db2.gz ZGFYXYRYYIIULQ-SNVBAGLBSA-N 0 0 193.294 2.715 10 0 AFAERN CCC[C@H](C)CCNc1cnccn1 1652177007 1170898955 /nfs/dbraw/zinc/89/89/55/1170898955.db2.gz ZGFYXYRYYIIULQ-JTQLQIEISA-N 0 0 193.294 2.715 10 0 AFAERN C=C/C=C/CCn1cnc(CC)c1 1652207921 1170900184 /nfs/dbraw/zinc/90/01/84/1170900184.db2.gz JOPNRAMQYNMONF-AATRIKPKSA-N 0 0 176.263 2.578 10 0 AFAERN CC12CC(CSC3CCC3)(CO1)C2 1652848554 1170902220 /nfs/dbraw/zinc/90/22/20/1170902220.db2.gz CGJNHKIKRUSAOR-UHFFFAOYSA-N 0 0 198.331 2.841 10 0 AFAERN CC1(CN2CC(F)(F)C2)CCCC1 1653280501 1170906749 /nfs/dbraw/zinc/90/67/49/1170906749.db2.gz FYYMSHMPPORTHN-UHFFFAOYSA-N 0 0 189.249 2.518 10 0 AFAERN CCN1C[C@H](C)Cc2cccc(F)c21 1654571649 1170917461 /nfs/dbraw/zinc/91/74/61/1170917461.db2.gz BJUSWTXCCSVITP-SECBINFHSA-N 0 0 193.265 2.844 10 0 AFAERN CCCCCCNc1ncncc1C 1654901583 1170918650 /nfs/dbraw/zinc/91/86/50/1170918650.db2.gz LTAVYLJLXRYOFU-UHFFFAOYSA-N 0 0 193.294 2.777 10 0 AFAERN CCN1C[C@@H](C)Cc2cccc(F)c21 1654571654 1170919502 /nfs/dbraw/zinc/91/95/02/1170919502.db2.gz BJUSWTXCCSVITP-VIFPVBQESA-N 0 0 193.265 2.844 10 0 AFAERN C=C/C=C/CCSc1ncc[nH]1 1656317127 1170921842 /nfs/dbraw/zinc/92/18/42/1170921842.db2.gz ASRBLEZSVGYXDN-ONEGZZNKSA-N 0 0 180.276 2.634 10 0 AFAERN CCN1CC[C@@H](C)C[C@H]1C(F)(F)F 1655926917 1170924328 /nfs/dbraw/zinc/92/43/28/1170924328.db2.gz YPORRQAHPSGZSY-SFYZADRCSA-N 0 0 195.228 2.669 10 0 AFAERN C=C/C=C\CCSc1ncc[nH]1 1656317126 1170924650 /nfs/dbraw/zinc/92/46/50/1170924650.db2.gz ASRBLEZSVGYXDN-ARJAWSKDSA-N 0 0 180.276 2.634 10 0 AFAERN CCc1cn(CC(CC)CC)cn1 1656874809 1170925825 /nfs/dbraw/zinc/92/58/25/1170925825.db2.gz GYSQEEYCONOQTJ-UHFFFAOYSA-N 0 0 180.295 2.882 10 0 AFAERN CSc1nc(C(C)(C)C)co1 1656951636 1170927131 /nfs/dbraw/zinc/92/71/31/1170927131.db2.gz WGZZQTFDBQYHEK-UHFFFAOYSA-N 0 0 171.265 2.694 10 0 AFAERN Cc1cc(NCC2(C)CC2)cnc1C 1657888815 1170928135 /nfs/dbraw/zinc/92/81/35/1170928135.db2.gz RPEZDRYVNIKZOJ-UHFFFAOYSA-N 0 0 190.290 2.910 10 0 AFAERN COc1ccc(NCC(C)C)c(F)c1 1657813832 1170929647 /nfs/dbraw/zinc/92/96/47/1170929647.db2.gz ZGFKLAOQZPMXEQ-UHFFFAOYSA-N 0 0 197.253 2.902 10 0 AFAERN CC[C@@H](N[C@H]1CC[C@H]1C)C(F)(F)F 1660279757 1170942767 /nfs/dbraw/zinc/94/27/67/1170942767.db2.gz YIYHGPVOXTVIKF-GJMOJQLCSA-N 0 0 195.228 2.715 10 0 AFAERN CC[C@@H](N[C@@H]1CC[C@@H]1C)C(F)(F)F 1660279758 1170943359 /nfs/dbraw/zinc/94/33/59/1170943359.db2.gz YIYHGPVOXTVIKF-XLPZGREQSA-N 0 0 195.228 2.715 10 0 AFAERN CC[C@@H](N[C@@H]1CC[C@H]1C)C(F)(F)F 1660279756 1170944145 /nfs/dbraw/zinc/94/41/45/1170944145.db2.gz YIYHGPVOXTVIKF-BWZBUEFSSA-N 0 0 195.228 2.715 10 0 AFAERN CC[C@@H](N[C@H]1CC[C@@H]1C)C(F)(F)F 1660279755 1170944430 /nfs/dbraw/zinc/94/44/30/1170944430.db2.gz YIYHGPVOXTVIKF-BIIVOSGPSA-N 0 0 195.228 2.715 10 0 AFAERN Cc1cc(NC[C@H]2C[C@H]2C)cnc1C 1660584003 1170945830 /nfs/dbraw/zinc/94/58/30/1170945830.db2.gz VNLVCJPLQHYZGT-MWLCHTKSSA-N 0 0 190.290 2.766 10 0 AFAERN Cc1cc(NC[C@@H]2C[C@H]2C)cnc1C 1660584002 1170946578 /nfs/dbraw/zinc/94/65/78/1170946578.db2.gz VNLVCJPLQHYZGT-KOLCDFICSA-N 0 0 190.290 2.766 10 0 AFAERN Cc1cc(NC[C@@H]2C[C@@H]2C)cnc1C 1660584004 1170947143 /nfs/dbraw/zinc/94/71/43/1170947143.db2.gz VNLVCJPLQHYZGT-ONGXEEELSA-N 0 0 190.290 2.766 10 0 AFAERN Cc1cc(NC[C@H]2C[C@@H]2C)cnc1C 1660584001 1170947665 /nfs/dbraw/zinc/94/76/65/1170947665.db2.gz VNLVCJPLQHYZGT-GXSJLCMTSA-N 0 0 190.290 2.766 10 0 AFAERN Clc1ccnc2nc(C3CC3)oc12 213814157 571672334 /nfs/dbraw/zinc/67/23/34/571672334.db2.gz IZUPLVVHOQATQK-UHFFFAOYSA-N 0 0 194.621 2.754 10 0 AFAERN CC(C)c1oc2c(c1[C@H](C)O)CCC2 213792975 571673437 /nfs/dbraw/zinc/67/34/37/571673437.db2.gz KMWZZNRGDCPOMJ-QMMMGPOBSA-N 0 0 194.274 2.945 10 0 AFAERN C[C@@H](O)c1ccc(SC2CC2)cc1 213808029 571673449 /nfs/dbraw/zinc/67/34/49/571673449.db2.gz TWOHHTUCJPGVNS-MRVPVSSYSA-N 0 0 194.299 2.994 10 0 AFAERN COc1cc([C@H](C)O)ccc1C(C)C 213793402 571672222 /nfs/dbraw/zinc/67/22/22/571672222.db2.gz STFYHJRFKZKEMI-VIFPVBQESA-N 0 0 194.274 2.872 10 0 AFAERN CC(C)c1cccc(C(C)(C)O)c1O 213792710 571672226 /nfs/dbraw/zinc/67/22/26/571672226.db2.gz GPMXSXFCKQVEEP-UHFFFAOYSA-N 0 0 194.274 2.743 10 0 AFAERN CC(=O)Cc1cccc(C[C@H](C)F)c1 213788575 571672299 /nfs/dbraw/zinc/67/22/99/571672299.db2.gz CUCPIHCSJJNGMG-VIFPVBQESA-N 0 0 194.249 2.719 10 0 AFAERN Cc1ccc([C@@H]2CC(Cl)=NN2)cc1 213817537 571672305 /nfs/dbraw/zinc/67/23/05/571672305.db2.gz HREPWJNRKBJBMY-VIFPVBQESA-N 0 0 194.665 2.582 10 0 AFAERN CCOc1c([C@@H](C)O)ccc(C)c1C 213793479 571672366 /nfs/dbraw/zinc/67/23/66/571672366.db2.gz CYYUUHPCSHNCSE-SNVBAGLBSA-N 0 0 194.274 2.755 10 0 AFAERN Cc1oc2c(c1C(C)(C)O)CCCC2 213792459 571672535 /nfs/dbraw/zinc/67/25/35/571672535.db2.gz TUGICOOYAWCDNO-UHFFFAOYSA-N 0 0 194.274 2.694 10 0 AFAERN CCc1cc2nccc(Cl)c2n1C 213816930 571672583 /nfs/dbraw/zinc/67/25/83/571672583.db2.gz PKZNSRLJWGXRNC-UHFFFAOYSA-N 0 0 194.665 2.789 10 0 AFAERN CC(=O)Cc1ccccc1C[C@H](C)F 213788349 571672634 /nfs/dbraw/zinc/67/26/34/571672634.db2.gz ZXTSEEFLZAXZLK-VIFPVBQESA-N 0 0 194.249 2.719 10 0 AFAERN CC(=O)Cc1ccc(C[C@@H](C)F)cc1 213788190 571672650 /nfs/dbraw/zinc/67/26/50/571672650.db2.gz IBVFKBYTLNFMDH-SECBINFHSA-N 0 0 194.249 2.719 10 0 AFAERN Cc1cc2cc(N)c(Cl)cc2n1C 213818297 571672684 /nfs/dbraw/zinc/67/26/84/571672684.db2.gz SBCRKRSYESFZFW-UHFFFAOYSA-N 0 0 194.665 2.722 10 0 AFAERN Cc1cccc([C@H]2CC(Cl)=NN2)c1 213817459 571672687 /nfs/dbraw/zinc/67/26/87/571672687.db2.gz PEJPXTYVFNVZDR-SECBINFHSA-N 0 0 194.665 2.582 10 0 AFAERN CC(=O)Cc1cccc(C[C@@H](C)F)c1 213788628 571672731 /nfs/dbraw/zinc/67/27/31/571672731.db2.gz CUCPIHCSJJNGMG-SECBINFHSA-N 0 0 194.249 2.719 10 0 AFAERN COc1c(C(C)C)cccc1[C@@H](C)O 213793741 571672818 /nfs/dbraw/zinc/67/28/18/571672818.db2.gz VBSWMTFSWDBOIQ-SECBINFHSA-N 0 0 194.274 2.872 10 0 AFAERN C[C@H](O)c1ccc(SC2CC2)cc1 213807961 571672820 /nfs/dbraw/zinc/67/28/20/571672820.db2.gz TWOHHTUCJPGVNS-QMMMGPOBSA-N 0 0 194.299 2.994 10 0 AFAERN Clc1ccnc2oc(C3CC3)nc12 213813996 571672800 /nfs/dbraw/zinc/67/28/00/571672800.db2.gz PLZRCOOPCKQRJS-UHFFFAOYSA-N 0 0 194.621 2.754 10 0 AFAERN Clc1cnc2nc(C3CC3)oc2c1 213814235 571672915 /nfs/dbraw/zinc/67/29/15/571672915.db2.gz SFRSIHVMGGUTDS-UHFFFAOYSA-N 0 0 194.621 2.754 10 0 AFAERN CCc1cc2c(Cl)ccnc2n1C 213816832 571673259 /nfs/dbraw/zinc/67/32/59/571673259.db2.gz FUFJBYZMJQFMKP-UHFFFAOYSA-N 0 0 194.665 2.789 10 0 AFAERN COc1c(C)ccc(CO)c1C(C)C 213793875 571672949 /nfs/dbraw/zinc/67/29/49/571672949.db2.gz TWEWCOAYDREKHX-UHFFFAOYSA-N 0 0 194.274 2.619 10 0 AFAERN CCOc1c([C@H](C)O)ccc(C)c1C 213793529 571672972 /nfs/dbraw/zinc/67/29/72/571672972.db2.gz CYYUUHPCSHNCSE-JTQLQIEISA-N 0 0 194.274 2.755 10 0 AFAERN COc1cc([C@@H](C)O)ccc1C(C)C 213793341 571673014 /nfs/dbraw/zinc/67/30/14/571673014.db2.gz STFYHJRFKZKEMI-SECBINFHSA-N 0 0 194.274 2.872 10 0 AFAERN CC(=O)Cc1ccccc1CCCF 213788496 571673117 /nfs/dbraw/zinc/67/31/17/571673117.db2.gz TVSMBFVAZKWXHQ-UHFFFAOYSA-N 0 0 194.249 2.720 10 0 AFAERN Cc1ccc(C(C)C)c([C@H](C)O)c1O 213792846 571673233 /nfs/dbraw/zinc/67/32/33/571673233.db2.gz UPCPUXLZNLIIOM-VIFPVBQESA-N 0 0 194.274 2.877 10 0 AFAERN Clc1ccc2nc(C3CC3)oc2n1 213814080 571673175 /nfs/dbraw/zinc/67/31/75/571673175.db2.gz YFADDNOSOIZNPF-UHFFFAOYSA-N 0 0 194.621 2.754 10 0 AFAERN CC(=O)Cc1cccc(CCCF)c1 213788709 571673186 /nfs/dbraw/zinc/67/31/86/571673186.db2.gz SMBFTGVIFNMINN-UHFFFAOYSA-N 0 0 194.249 2.720 10 0 AFAERN Cc1ccc(N2CCC(Cl)=N2)cc1 213817848 571673196 /nfs/dbraw/zinc/67/31/96/571673196.db2.gz DXJIIEKTEMKQSX-UHFFFAOYSA-N 0 0 194.665 2.757 10 0 AFAERN C/C=C/COCc1ccc(Cl)nc1 51173685 571673227 /nfs/dbraw/zinc/67/32/27/571673227.db2.gz YWGWDTYAWFAYLG-NSCUHMNNSA-N 0 0 197.665 2.828 10 0 AFAERN COc1cc(C(C)C)cc([C@H](C)O)c1 213793253 571673172 /nfs/dbraw/zinc/67/31/72/571673172.db2.gz PUJSIGBGXFUJOY-VIFPVBQESA-N 0 0 194.274 2.872 10 0 AFAERN CCc1ccc(C(C)C)c(CO)c1O 213793969 571673382 /nfs/dbraw/zinc/67/33/82/571673382.db2.gz HKANTUHQDJMGND-UHFFFAOYSA-N 0 0 194.274 2.570 10 0 AFAERN Cc1ccc([C@H]2CC(Cl)=NN2)cc1 213817597 571673916 /nfs/dbraw/zinc/67/39/16/571673916.db2.gz HREPWJNRKBJBMY-SECBINFHSA-N 0 0 194.665 2.582 10 0 AFAERN CC(C)c1ccc(O)c(C(C)(C)O)c1 213792537 571673525 /nfs/dbraw/zinc/67/35/25/571673525.db2.gz WKJFDUUDVWOUKM-UHFFFAOYSA-N 0 0 194.274 2.743 10 0 AFAERN Cc1cccc(OC(C)C)c1[C@@H](C)O 213793611 571673555 /nfs/dbraw/zinc/67/35/55/571673555.db2.gz DJNIYNLWXODDHQ-SNVBAGLBSA-N 0 0 194.274 2.836 10 0 AFAERN COc1c(C(C)C)cccc1[C@H](C)O 213793793 571673597 /nfs/dbraw/zinc/67/35/97/571673597.db2.gz VBSWMTFSWDBOIQ-VIFPVBQESA-N 0 0 194.274 2.872 10 0 AFAERN CC(C)c1ccc(C(C)(C)O)c(O)c1 213792358 571673612 /nfs/dbraw/zinc/67/36/12/571673612.db2.gz KABQJOKUJHGHNT-UHFFFAOYSA-N 0 0 194.274 2.743 10 0 AFAERN Cc1cccc(OC(C)C)c1[C@H](C)O 213793657 571673621 /nfs/dbraw/zinc/67/36/21/571673621.db2.gz DJNIYNLWXODDHQ-JTQLQIEISA-N 0 0 194.274 2.836 10 0 AFAERN COc1c(C)cc(CO)cc1C(C)C 213794046 571673652 /nfs/dbraw/zinc/67/36/52/571673652.db2.gz WZPBWKVUTKHYSD-UHFFFAOYSA-N 0 0 194.274 2.619 10 0 AFAERN Cc1cccc(N2CCC(Cl)=N2)c1 213817769 571673740 /nfs/dbraw/zinc/67/37/40/571673740.db2.gz YCZZMQDERCUPBM-UHFFFAOYSA-N 0 0 194.665 2.757 10 0 AFAERN C/C=C/COCC(=O)c1cccs1 51174105 571673885 /nfs/dbraw/zinc/67/38/85/571673885.db2.gz NQWSHXCMBHEKKN-NSCUHMNNSA-N 0 0 196.271 2.524 10 0 AFAERN Clc1ccc2oc(C3CC3)nc2n1 213814315 571673897 /nfs/dbraw/zinc/67/38/97/571673897.db2.gz RYWHFPBXLUECQQ-UHFFFAOYSA-N 0 0 194.621 2.754 10 0 AFAERN CC(=O)Cc1ccc(CCCF)cc1 213788272 571674032 /nfs/dbraw/zinc/67/40/32/571674032.db2.gz RNRZARPKSIBLQT-UHFFFAOYSA-N 0 0 194.249 2.720 10 0 AFAERN CC(=O)Cc1ccc(C[C@H](C)F)cc1 213788136 571674098 /nfs/dbraw/zinc/67/40/98/571674098.db2.gz IBVFKBYTLNFMDH-VIFPVBQESA-N 0 0 194.249 2.719 10 0 AFAERN CC(C)c1oc2c(c1[C@@H](C)O)CCC2 213792927 571674151 /nfs/dbraw/zinc/67/41/51/571674151.db2.gz KMWZZNRGDCPOMJ-MRVPVSSYSA-N 0 0 194.274 2.945 10 0 AFAERN CCC[C@H](C)C(=O)c1ccccc1N 8627930 571674911 /nfs/dbraw/zinc/67/49/11/571674911.db2.gz OFSBMUZVWCOCLY-VIFPVBQESA-N 0 0 191.274 2.888 10 0 AFAERN C[C@@H](O)c1ccc2ccccc2c1O 21952213 571675914 /nfs/dbraw/zinc/67/59/14/571675914.db2.gz LGFZRFGHGXKJRV-MRVPVSSYSA-N 0 0 188.226 2.599 10 0 AFAERN C[C@@H]1CC(CCCO)C[C@H](C)C1 84836754 571676375 /nfs/dbraw/zinc/67/63/75/571676375.db2.gz WGQVFMBXENOKPV-ZACCUICWSA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@@]1(C)CCc2ccc(N)cc2N1 38950552 571676836 /nfs/dbraw/zinc/67/68/36/571676836.db2.gz DULNNICELSWROI-LBPRGKRZSA-N 0 0 190.290 2.796 10 0 AFAERN C[C@@H](F)CCNc1cccc(C=O)c1 213859553 571676919 /nfs/dbraw/zinc/67/69/19/571676919.db2.gz UYNAPZKIPLADNK-SECBINFHSA-N 0 0 195.237 2.659 10 0 AFAERN CC(=O)c1ccccc1NCCCF 213860093 571676951 /nfs/dbraw/zinc/67/69/51/571676951.db2.gz OIJGIYCWVRQWOZ-UHFFFAOYSA-N 0 0 195.237 2.661 10 0 AFAERN C[C@H](F)CCNc1ccc(C=O)cc1 213859039 571677108 /nfs/dbraw/zinc/67/71/08/571677108.db2.gz ZKJGVKZCEFMRGJ-VIFPVBQESA-N 0 0 195.237 2.659 10 0 AFAERN C[C@H](F)CCNc1ccccc1C=O 213859944 571677112 /nfs/dbraw/zinc/67/71/12/571677112.db2.gz CMXVJJLBYXBKEK-VIFPVBQESA-N 0 0 195.237 2.659 10 0 AFAERN C/C=C/C=C/COc1ccc(O)cc1 34568203 571677689 /nfs/dbraw/zinc/67/76/89/571677689.db2.gz PUCDQMUZNXCJEH-MQQKCMAXSA-N 0 0 190.242 2.903 10 0 AFAERN CCCN[C@@H](C(F)(F)F)C1(C)CC1 687715116 571677394 /nfs/dbraw/zinc/67/73/94/571677394.db2.gz UGXZCSRXGUCJQT-SSDOTTSWSA-N 0 0 195.228 2.717 10 0 AFAERN CCCCC1=CC(=O)C2(CCCC2)N1 21985951 571677457 /nfs/dbraw/zinc/67/74/57/571677457.db2.gz CJLLHQJYOROYNR-UHFFFAOYSA-N 0 0 193.290 2.903 10 0 AFAERN CCC(=O)CCCc1cccc(O)c1 687715261 571681359 /nfs/dbraw/zinc/68/13/59/571681359.db2.gz DCBOSXNWFPAZFX-UHFFFAOYSA-N 0 0 192.258 2.694 10 0 AFAERN CCCN[C@H](C(F)(F)F)C1(C)CC1 687715117 571678207 /nfs/dbraw/zinc/67/82/07/571678207.db2.gz UGXZCSRXGUCJQT-ZETCQYMHSA-N 0 0 195.228 2.717 10 0 AFAERN CCCCC(C)(C)/C=C\CO 213867318 571678356 /nfs/dbraw/zinc/67/83/56/571678356.db2.gz WJXMCOWNOGRCCZ-VURMDHGXSA-N 0 0 156.269 2.751 10 0 AFAERN CC(=O)c1ccc(NCCCF)cc1 213859173 571678363 /nfs/dbraw/zinc/67/83/63/571678363.db2.gz WDSGJDNTFLUMAL-UHFFFAOYSA-N 0 0 195.237 2.661 10 0 AFAERN CCOCCC(=O)c1ccccc1C 53765488 571681332 /nfs/dbraw/zinc/68/13/32/571681332.db2.gz XIKLVEUVUPPIHK-UHFFFAOYSA-N 0 0 192.258 2.604 10 0 AFAERN CC(=O)c1cccc(NCCCF)c1 213859635 571678889 /nfs/dbraw/zinc/67/88/89/571678889.db2.gz SLGQHQWWTQJAKD-UHFFFAOYSA-N 0 0 195.237 2.661 10 0 AFAERN C[C@@H](F)CCNc1ccccc1C=O 213860013 571678939 /nfs/dbraw/zinc/67/89/39/571678939.db2.gz CMXVJJLBYXBKEK-SECBINFHSA-N 0 0 195.237 2.659 10 0 AFAERN C[C@@H](F)CCNc1ccc(C=O)cc1 213859096 571678974 /nfs/dbraw/zinc/67/89/74/571678974.db2.gz ZKJGVKZCEFMRGJ-SECBINFHSA-N 0 0 195.237 2.659 10 0 AFAERN C[C@H](F)CCNc1cccc(C=O)c1 213859487 571678978 /nfs/dbraw/zinc/67/89/78/571678978.db2.gz UYNAPZKIPLADNK-VIFPVBQESA-N 0 0 195.237 2.659 10 0 AFAERN CC(C)OCCC(=O)c1ccccc1 53765132 571679559 /nfs/dbraw/zinc/67/95/59/571679559.db2.gz XCOLZHTYXZKPHW-UHFFFAOYSA-N 0 0 192.258 2.684 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ccc(C)c(N)c1 234131747 571680145 /nfs/dbraw/zinc/68/01/45/571680145.db2.gz JKYFJHRJWSLMFA-JOYOIKCWSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc(N(C)CC(C)C)c(N)c1 37099049 571681882 /nfs/dbraw/zinc/68/18/82/571681882.db2.gz LBCJVJNWVZTZDA-UHFFFAOYSA-N 0 0 192.306 2.669 10 0 AFAERN Cc1cc(C(C)(C)C)c(O)cc1C=O 34568286 571680212 /nfs/dbraw/zinc/68/02/12/571680212.db2.gz IQTNOKBRXQOCCM-UHFFFAOYSA-N 0 0 192.258 2.811 10 0 AFAERN CCC(O)(CC)CSCC(C)C 229403714 571681166 /nfs/dbraw/zinc/68/11/66/571681166.db2.gz IIAHNHFVXQCNLT-UHFFFAOYSA-N 0 0 190.352 2.927 10 0 AFAERN O[C@H](/C(F)=C\F)c1ccccc1 213871252 571681908 /nfs/dbraw/zinc/68/19/08/571681908.db2.gz KDEGPUFJFPQBHR-ORZBULNSSA-N 0 0 170.158 2.500 10 0 AFAERN Cc1c(CO)sc2ccccc12 172461 571681804 /nfs/dbraw/zinc/68/18/04/571681804.db2.gz TXZSDWAGMTULKT-UHFFFAOYSA-N 0 0 178.256 2.702 10 0 AFAERN CC(=O)Nc1cc(C)cc(Cl)c1 164267 571681964 /nfs/dbraw/zinc/68/19/64/571681964.db2.gz PKZPIAGUTDNQJG-UHFFFAOYSA-N 0 0 183.638 2.607 10 0 AFAERN O[C@@H](/C(F)=C\F)c1ccccc1 213871317 571682217 /nfs/dbraw/zinc/68/22/17/571682217.db2.gz KDEGPUFJFPQBHR-BNICOGTQSA-N 0 0 170.158 2.500 10 0 AFAERN CC[C@@H](C)Nc1cccc2c[nH]nc12 37100320 571682277 /nfs/dbraw/zinc/68/22/77/571682277.db2.gz ISENIDAAVKVMTE-MRVPVSSYSA-N 0 0 189.262 2.773 10 0 AFAERN CC[C@H](C)Nc1cccc2c[nH]nc12 37100321 571682296 /nfs/dbraw/zinc/68/22/96/571682296.db2.gz ISENIDAAVKVMTE-QMMMGPOBSA-N 0 0 189.262 2.773 10 0 AFAERN CC(C)(F)COc1ccc(C=O)cc1 213929880 571682498 /nfs/dbraw/zinc/68/24/98/571682498.db2.gz PLHSEXVMIBMDSG-UHFFFAOYSA-N 0 0 196.221 2.626 10 0 AFAERN CC(C)CN(C)c1ccc(F)cc1N 37099059 571682514 /nfs/dbraw/zinc/68/25/14/571682514.db2.gz DSKIYGWYPVDERT-UHFFFAOYSA-N 0 0 196.269 2.500 10 0 AFAERN CC(=O)c1ccccc1OC[C@H](C)F 213930686 571683287 /nfs/dbraw/zinc/68/32/87/571683287.db2.gz DWFMAGWKJJCJRW-QMMMGPOBSA-N 0 0 196.221 2.626 10 0 AFAERN C[C@@H](F)CCOc1cccc(C=O)c1 213930532 571682643 /nfs/dbraw/zinc/68/26/43/571682643.db2.gz RERYQYSSBDKQGQ-SECBINFHSA-N 0 0 196.221 2.626 10 0 AFAERN CCOCCC(=O)C1CCCCC1 53765883 571682814 /nfs/dbraw/zinc/68/28/14/571682814.db2.gz JHQFIWOSELDXPY-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN C/C=C/COCCNc1ccccc1 53589755 571682969 /nfs/dbraw/zinc/68/29/69/571682969.db2.gz ZKYBAHXXIBFNDW-NSCUHMNNSA-N 0 0 191.274 2.691 10 0 AFAERN COc1cc(OC)c(C(C)C)cc1O 213940648 571683101 /nfs/dbraw/zinc/68/31/01/571683101.db2.gz NIVGEERBZDGOMN-UHFFFAOYSA-N 0 0 196.246 2.533 10 0 AFAERN C[C@@H](F)CCOc1ccccc1C=O 213930877 571683123 /nfs/dbraw/zinc/68/31/23/571683123.db2.gz KQCNTCITXFYQGI-SECBINFHSA-N 0 0 196.221 2.626 10 0 AFAERN C/C=C\Cc1nc2c(O)cccc2o1 213920059 571683184 /nfs/dbraw/zinc/68/31/84/571683184.db2.gz BNEHRLILEKFGDR-IHWYPQMZSA-N 0 0 189.214 2.652 10 0 AFAERN C[C@@H](F)CCOc1ccc(C=O)cc1 213930163 571683295 /nfs/dbraw/zinc/68/32/95/571683295.db2.gz MHAOFKUVERROPZ-SECBINFHSA-N 0 0 196.221 2.626 10 0 AFAERN c1ccc2c(c1)Cc1c[nH]cc1C2 22003419 571683436 /nfs/dbraw/zinc/68/34/36/571683436.db2.gz AWYSDZZUFGNTIH-UHFFFAOYSA-N 0 0 169.227 2.510 10 0 AFAERN COc1ccc(OC)c(C(C)C)c1O 213940817 571683560 /nfs/dbraw/zinc/68/35/60/571683560.db2.gz DRUFKMOCOMEUEE-UHFFFAOYSA-N 0 0 196.246 2.533 10 0 AFAERN CCCOCC(=O)CC1CCCCC1 53779884 571683735 /nfs/dbraw/zinc/68/37/35/571683735.db2.gz RTTFENUNUXKWGR-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN COCCC(=O)CC1CCCCC1 53767991 571683765 /nfs/dbraw/zinc/68/37/65/571683765.db2.gz AFGAHSPSUQWNAN-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCOCCC(=O)c1ccc(C)cc1 53763363 571684019 /nfs/dbraw/zinc/68/40/19/571684019.db2.gz WPGFLWLQOZWMAI-UHFFFAOYSA-N 0 0 192.258 2.604 10 0 AFAERN CCN(c1ccc(C=O)s1)C1CC1 70609221 571684177 /nfs/dbraw/zinc/68/41/77/571684177.db2.gz WAVWRNRFMXMHKZ-UHFFFAOYSA-N 0 0 195.287 2.549 10 0 AFAERN COc1ccc(O)c(C(C)C)c1OC 213940985 571684264 /nfs/dbraw/zinc/68/42/64/571684264.db2.gz KDWXFXODWNDKNJ-UHFFFAOYSA-N 0 0 196.246 2.533 10 0 AFAERN C[C@H](F)CCOc1ccccc1C=O 213930826 571684267 /nfs/dbraw/zinc/68/42/67/571684267.db2.gz KQCNTCITXFYQGI-VIFPVBQESA-N 0 0 196.221 2.626 10 0 AFAERN CC(=O)c1ccccc1OC[C@@H](C)F 213930743 571684288 /nfs/dbraw/zinc/68/42/88/571684288.db2.gz DWFMAGWKJJCJRW-MRVPVSSYSA-N 0 0 196.221 2.626 10 0 AFAERN CC(=O)c1ccc(OC[C@H](C)F)cc1 213929961 571684355 /nfs/dbraw/zinc/68/43/55/571684355.db2.gz LVWVVXTVKDXGBK-QMMMGPOBSA-N 0 0 196.221 2.626 10 0 AFAERN CCCCNc1cccc2c[nH]nc12 37100538 571684393 /nfs/dbraw/zinc/68/43/93/571684393.db2.gz MZKCMWZEMVECPP-UHFFFAOYSA-N 0 0 189.262 2.775 10 0 AFAERN COC(=O)/C=C(\C)CCC(C)C 213933320 571684435 /nfs/dbraw/zinc/68/44/35/571684435.db2.gz USDBYEUULSSACL-VQHVLOKHSA-N 0 0 170.252 2.542 10 0 AFAERN CC(=O)c1cccc(OC[C@@H](C)F)c1 213930394 571684694 /nfs/dbraw/zinc/68/46/94/571684694.db2.gz NHYICQUKNJVSIY-MRVPVSSYSA-N 0 0 196.221 2.626 10 0 AFAERN CCN(c1ccc(C=O)s1)C(C)C 70609223 571684766 /nfs/dbraw/zinc/68/47/66/571684766.db2.gz OWIKKSZOGGTCLP-UHFFFAOYSA-N 0 0 197.303 2.795 10 0 AFAERN CC(C)(F)COc1ccccc1C=O 213930611 571684975 /nfs/dbraw/zinc/68/49/75/571684975.db2.gz ICCUDHPHBSBDQE-UHFFFAOYSA-N 0 0 196.221 2.626 10 0 AFAERN CCC[C@](O)(C1CCC1)C1CC1 393378529 571685046 /nfs/dbraw/zinc/68/50/46/571685046.db2.gz ZRJWHBSXRLPPNE-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)(F)COc1cccc(C=O)c1 213930250 571685139 /nfs/dbraw/zinc/68/51/39/571685139.db2.gz JBJXLCXFQUXAAJ-UHFFFAOYSA-N 0 0 196.221 2.626 10 0 AFAERN CC(=O)c1ccc(OC[C@@H](C)F)cc1 213930018 571685161 /nfs/dbraw/zinc/68/51/61/571685161.db2.gz LVWVVXTVKDXGBK-MRVPVSSYSA-N 0 0 196.221 2.626 10 0 AFAERN C/C=C/COCc1ccnc(Cl)c1 52727050 571685171 /nfs/dbraw/zinc/68/51/71/571685171.db2.gz GQLYDKUBOBKDCD-NSCUHMNNSA-N 0 0 197.665 2.828 10 0 AFAERN CC(=O)c1cccc(OC[C@H](C)F)c1 213930335 571685260 /nfs/dbraw/zinc/68/52/60/571685260.db2.gz NHYICQUKNJVSIY-QMMMGPOBSA-N 0 0 196.221 2.626 10 0 AFAERN CCCCN(C)c1ccc(C=O)s1 70609198 571685376 /nfs/dbraw/zinc/68/53/76/571685376.db2.gz GNVWQRZAJRWSCR-UHFFFAOYSA-N 0 0 197.303 2.797 10 0 AFAERN C[C@H](O)c1ccc2c(Cl)c[nH]c2c1 213904564 571685680 /nfs/dbraw/zinc/68/56/80/571685680.db2.gz MNLSFCGSILZIQB-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN CC(C)CN(C)c1ccc(C=O)s1 70609231 571685965 /nfs/dbraw/zinc/68/59/65/571685965.db2.gz SZFVCNKYKKMBMR-UHFFFAOYSA-N 0 0 197.303 2.653 10 0 AFAERN CC(C)OCC[C@H](O)c1ccccc1 53783952 571686203 /nfs/dbraw/zinc/68/62/03/571686203.db2.gz IYDFXWFTWSRABC-LBPRGKRZSA-N 0 0 194.274 2.535 10 0 AFAERN C[C@@H](O)c1cccc2[nH]cc(Cl)c12 213904397 571686230 /nfs/dbraw/zinc/68/62/30/571686230.db2.gz BKGZVNMWSPZOKE-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN CCOCCC(=O)[C@@H]1CCC[C@@H](C)C1 53780073 571686312 /nfs/dbraw/zinc/68/63/12/571686312.db2.gz SNAADGXFAVXISA-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)(C(=O)C(F)F)c1ccccc1 687715510 571686338 /nfs/dbraw/zinc/68/63/38/571686338.db2.gz OBEOAXBQBFHNIA-UHFFFAOYSA-N 0 0 198.212 2.798 10 0 AFAERN C[C@H](O)c1cccc2[nH]cc(Cl)c12 213904343 571686397 /nfs/dbraw/zinc/68/63/97/571686397.db2.gz BKGZVNMWSPZOKE-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN Oc1cccc(-c2cc(Cl)on2)c1 213898912 571686407 /nfs/dbraw/zinc/68/64/07/571686407.db2.gz NOIYCTFWHBDVGI-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN CCOCCC(=O)[C@H]1CCC[C@H](C)C1 53780071 571687006 /nfs/dbraw/zinc/68/70/06/571687006.db2.gz SNAADGXFAVXISA-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1cc2cc(Cl)c(CO)cc2[nH]1 213903924 571686633 /nfs/dbraw/zinc/68/66/33/571686633.db2.gz UOXKCZNMDPOTOY-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CCOCCC(=O)[C@@H]1CCC[C@H](C)C1 53780069 571686848 /nfs/dbraw/zinc/68/68/48/571686848.db2.gz SNAADGXFAVXISA-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN COc1cc2c(ccn2C)cc1Cl 213903664 571687023 /nfs/dbraw/zinc/68/70/23/571687023.db2.gz LXMSWHWOGISEHL-UHFFFAOYSA-N 0 0 195.649 2.840 10 0 AFAERN CCOCCC(=O)C1CCC(C)CC1 53780245 571687078 /nfs/dbraw/zinc/68/70/78/571687078.db2.gz UQCFUHBRGCANFS-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCOCCC(=O)[C@H]1CCC[C@@H](C)C1 53780074 571687475 /nfs/dbraw/zinc/68/74/75/571687475.db2.gz SNAADGXFAVXISA-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CCC[C@@](O)(C1CCC1)C1CC1 393378528 571687557 /nfs/dbraw/zinc/68/75/57/571687557.db2.gz ZRJWHBSXRLPPNE-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CCC(=O)[C@H]1CCCCCS1 213904051 571687569 /nfs/dbraw/zinc/68/75/69/571687569.db2.gz LVKCNMVBYRGJDI-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN C/C=C/COCc1cccnc1Cl 52727044 571688255 /nfs/dbraw/zinc/68/82/55/571688255.db2.gz KPLOMQYAZLWTLN-NSCUHMNNSA-N 0 0 197.665 2.828 10 0 AFAERN CC[C@H](C)N(C)c1ccc(C=O)s1 70609233 571687724 /nfs/dbraw/zinc/68/77/24/571687724.db2.gz NJAXSONWJKOLOC-QMMMGPOBSA-N 0 0 197.303 2.795 10 0 AFAERN CCC(=O)[C@@H]1CCCCCS1 213903984 571687833 /nfs/dbraw/zinc/68/78/33/571687833.db2.gz LVKCNMVBYRGJDI-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CC[C@H](C)Nc1ccc2c(c1)CCO2 37103792 571687842 /nfs/dbraw/zinc/68/78/42/571687842.db2.gz IPHJNDRAYQBSSI-VIFPVBQESA-N 0 0 191.274 2.832 10 0 AFAERN Cc1cc2c(Cl)c(CO)ccc2[nH]1 213903831 571687857 /nfs/dbraw/zinc/68/78/57/571687857.db2.gz KWVKNGVJILVKBO-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CCCNC(=O)S[C@H]1C=CCCC1 213889159 571687978 /nfs/dbraw/zinc/68/79/78/571687978.db2.gz IFRUFXUQXCWFFC-VIFPVBQESA-N 0 0 199.319 2.948 10 0 AFAERN C[C@H](O)c1ccc2[nH]cc(Cl)c2c1 213904479 571687983 /nfs/dbraw/zinc/68/79/83/571687983.db2.gz GBRHKYQSMBYIAT-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN Cc1c[nH]c2c(Cl)cc(CO)cc12 213903749 571688043 /nfs/dbraw/zinc/68/80/43/571688043.db2.gz BTGQJEARVUQFQA-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CC(C)n1cnc2cc(Cl)cnc21 213906440 571688395 /nfs/dbraw/zinc/68/83/95/571688395.db2.gz NPEFAKARHHMBFN-UHFFFAOYSA-N 0 0 195.653 2.666 10 0 AFAERN C[C@@H](/C=C/CO)Sc1ccccc1 213911732 571688524 /nfs/dbraw/zinc/68/85/24/571688524.db2.gz GAAKNYIADVELKC-PORFMDCZSA-N 0 0 194.299 2.716 10 0 AFAERN COc1cc(Cl)c2n[nH]c(C)c2c1 213981678 571688543 /nfs/dbraw/zinc/68/85/43/571688543.db2.gz XPRRHEALBOAQKO-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN CC[C@H]1C[C@H]1Nc1ccc(N)c(C)c1 234132382 571688578 /nfs/dbraw/zinc/68/85/78/571688578.db2.gz JVHSHJRQTYMPTP-JOYOIKCWSA-N 0 0 190.290 2.788 10 0 AFAERN CC(C)c1nc2c(Cl)ccnc2o1 213982172 571688597 /nfs/dbraw/zinc/68/85/97/571688597.db2.gz MUSYACWZJSWRMU-UHFFFAOYSA-N 0 0 196.637 3.000 10 0 AFAERN CC[C@@H](C)N(C)c1ccc(C=O)s1 70609232 571689073 /nfs/dbraw/zinc/68/90/73/571689073.db2.gz NJAXSONWJKOLOC-MRVPVSSYSA-N 0 0 197.303 2.795 10 0 AFAERN CC(C)c1nc2ccc(Cl)nc2o1 213982264 571689141 /nfs/dbraw/zinc/68/91/41/571689141.db2.gz MYBKWYJVUJIULP-UHFFFAOYSA-N 0 0 196.637 3.000 10 0 AFAERN CCOC(=O)/C=C\C1=CSCCC1 213916179 571689181 /nfs/dbraw/zinc/68/91/81/571689181.db2.gz RMXZCMRYOYYLAG-WAYWQWQTSA-N 0 0 198.287 2.517 10 0 AFAERN C[C@@H](O)c1cccc2c(Cl)c[nH]c12 213904739 571689416 /nfs/dbraw/zinc/68/94/16/571689416.db2.gz JEQMDTXGNDPCCW-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN COc1c(Cl)ccc2[nH]nc(C)c12 213982002 571689530 /nfs/dbraw/zinc/68/95/30/571689530.db2.gz CVRUDZNMJNURHI-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN CC(C)=CCC[C@@H](CO)C(F)(F)F 213913084 571689753 /nfs/dbraw/zinc/68/97/53/571689753.db2.gz MEKLFOIJXVMZBK-QMMMGPOBSA-N 0 0 196.212 2.904 10 0 AFAERN CC[C@@H](C)N(C)c1ccccc1N 37109484 571689805 /nfs/dbraw/zinc/68/98/05/571689805.db2.gz PAOJSJCXUCAAEL-SECBINFHSA-N 0 0 178.279 2.504 10 0 AFAERN CC(C)c1nc2nc(Cl)ccc2o1 213982549 571689865 /nfs/dbraw/zinc/68/98/65/571689865.db2.gz FCAIQORKWSQNTO-UHFFFAOYSA-N 0 0 196.637 3.000 10 0 AFAERN CC(C)c1nc2ncc(Cl)cc2o1 213982451 571690073 /nfs/dbraw/zinc/69/00/73/571690073.db2.gz WGQUVAWSVNNTAL-UHFFFAOYSA-N 0 0 196.637 3.000 10 0 AFAERN CC[C@@H]1C[C@@H](C)C(=O)N1C1CCCC1 687716236 571691619 /nfs/dbraw/zinc/69/16/19/571691619.db2.gz QBNNKRFQNODVQG-NXEZZACHSA-N 0 0 195.306 2.576 10 0 AFAERN CC[C@@H](C)COC(=O)C=C(C)C 5922165 571690252 /nfs/dbraw/zinc/69/02/52/571690252.db2.gz CEVOEEDUEYZGMY-SECBINFHSA-N 0 0 170.252 2.542 10 0 endogenous,in-man AFAERN COc1cc2n[nH]c(C)c2cc1Cl 213981839 571690265 /nfs/dbraw/zinc/69/02/65/571690265.db2.gz GAYDYGPCXXYEQR-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN C[C@@H](/C=C\CO)Sc1ccccc1 213911677 571690330 /nfs/dbraw/zinc/69/03/30/571690330.db2.gz GAAKNYIADVELKC-OMMCCPJFSA-N 0 0 194.299 2.716 10 0 AFAERN CC[C@H](C)N(C)c1ccccc1N 37109485 571690421 /nfs/dbraw/zinc/69/04/21/571690421.db2.gz PAOJSJCXUCAAEL-VIFPVBQESA-N 0 0 178.279 2.504 10 0 AFAERN C[C@@H](O)c1ccc2c(Cl)c[nH]c2c1 213904621 571690460 /nfs/dbraw/zinc/69/04/60/571690460.db2.gz MNLSFCGSILZIQB-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN CC(C)c1nc2nccc(Cl)c2o1 213982354 571690477 /nfs/dbraw/zinc/69/04/77/571690477.db2.gz MTNZPSHEBCVFLW-UHFFFAOYSA-N 0 0 196.637 3.000 10 0 AFAERN C[C@H](O)c1cccc2c(Cl)c[nH]c12 213904698 571690523 /nfs/dbraw/zinc/69/05/23/571690523.db2.gz JEQMDTXGNDPCCW-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN O[C@H](CCCC(F)F)C1CCCC1 687893609 571691008 /nfs/dbraw/zinc/69/10/08/571691008.db2.gz YISVWSFNJJYOTH-SECBINFHSA-N 0 0 192.249 2.973 10 0 AFAERN Cc1ncc2sccc2c1C 334445 571691026 /nfs/dbraw/zinc/69/10/26/571691026.db2.gz OUCJRYHGEVWFOA-UHFFFAOYSA-N 0 0 163.245 2.913 10 0 AFAERN CC[C@H]1C[C@@H](C)C(=O)N1C1CCCC1 687716239 571691058 /nfs/dbraw/zinc/69/10/58/571691058.db2.gz QBNNKRFQNODVQG-ZJUUUORDSA-N 0 0 195.306 2.576 10 0 AFAERN CC[C@@H]1C[C@H](C)C(=O)N1C1CCCC1 687716238 571691613 /nfs/dbraw/zinc/69/16/13/571691613.db2.gz QBNNKRFQNODVQG-VHSXEESVSA-N 0 0 195.306 2.576 10 0 AFAERN CC[C@H]1C[C@H](C)C(=O)N1C1CCCC1 687716237 571691585 /nfs/dbraw/zinc/69/15/85/571691585.db2.gz QBNNKRFQNODVQG-UWVGGRQHSA-N 0 0 195.306 2.576 10 0 AFAERN Cc1ncc2c(n1)CCc1ccccc1-2 213953063 571691855 /nfs/dbraw/zinc/69/18/55/571691855.db2.gz JEILZZNJMTVENV-UHFFFAOYSA-N 0 0 196.253 2.551 10 0 AFAERN O[C@@H](CCCC(F)F)C1CCCC1 687893627 571691920 /nfs/dbraw/zinc/69/19/20/571691920.db2.gz YISVWSFNJJYOTH-VIFPVBQESA-N 0 0 192.249 2.973 10 0 AFAERN c1cnc2c(c1)cnc1sccc12 334027 571692258 /nfs/dbraw/zinc/69/22/58/571692258.db2.gz PCUQHSHOVRGMID-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN CCOc1cc2ccccc2cn1 331985 571692732 /nfs/dbraw/zinc/69/27/32/571692732.db2.gz IZPZUGQJVNFYLH-UHFFFAOYSA-N 0 0 173.215 2.634 10 0 AFAERN O[C@H]1CCCOc2cc(Cl)ccc21 346911 571692921 /nfs/dbraw/zinc/69/29/21/571692921.db2.gz JBSPQEAJKPDCJG-VIFPVBQESA-N 0 0 198.649 2.546 10 0 AFAERN CN(C)c1ccc(N)cc1C(C)(C)C 345998 571693054 /nfs/dbraw/zinc/69/30/54/571693054.db2.gz KNKLSFNXAXJGMX-UHFFFAOYSA-N 0 0 192.306 2.632 10 0 AFAERN CC/C=C\NC(=O)Oc1ccccc1 207033021 571693442 /nfs/dbraw/zinc/69/34/42/571693442.db2.gz OFJSQRGVEVBTMC-OQFOIZHKSA-N 0 0 191.230 2.699 10 0 AFAERN c1c[nH]c(-c2ccsc2)c1 334280 571693687 /nfs/dbraw/zinc/69/36/87/571693687.db2.gz KQGWFDZFSIINIG-UHFFFAOYSA-N 0 0 149.218 2.743 10 0 AFAERN Cc1cc(C)c2c(CCO)coc2c1 57348732 571693995 /nfs/dbraw/zinc/69/39/95/571693995.db2.gz GAAUGZAKIZRJHY-UHFFFAOYSA-N 0 0 190.242 2.584 10 0 AFAERN CCCOCC(=O)[C@@H]1CCC[C@@H](C)C1 70566326 571694074 /nfs/dbraw/zinc/69/40/74/571694074.db2.gz GQTAEKBKNBCMPD-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@H]1CCC[C@@H](OCCC(C)=O)C1 70564573 571694272 /nfs/dbraw/zinc/69/42/72/571694272.db2.gz HKKRJODODRWUEI-NWDGAFQWSA-N 0 0 198.306 2.951 10 0 AFAERN CCCOCC(=O)[C@H]1CCC[C@@H](C)C1 70566327 571694363 /nfs/dbraw/zinc/69/43/63/571694363.db2.gz GQTAEKBKNBCMPD-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@H]1CCC[C@@H](O[C@@H](C)C(C)=O)C1 70564585 571694495 /nfs/dbraw/zinc/69/44/95/571694495.db2.gz BDFKIYSTUBNXEP-SDDRHHMPSA-N 0 0 198.306 2.949 10 0 AFAERN CC[C@@H]1CCC[C@@H](SCCO)C1 70565544 571694632 /nfs/dbraw/zinc/69/46/32/571694632.db2.gz ILTLVPHKEUNNJS-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CCC(=O)CO[C@H]1CCC[C@@H](CC)C1 70564590 571694827 /nfs/dbraw/zinc/69/48/27/571694827.db2.gz ZPYXERZESUJBJG-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@H]1CCC[C@@H]([C@@H]2CCC[C@@H]2O)C1 70567357 571694844 /nfs/dbraw/zinc/69/48/44/571694844.db2.gz QWSROKLODHFKCI-USZNOCQGSA-N 0 0 182.307 2.974 10 0 AFAERN CC(=O)CC[C@@H]1C[C@@]12CCCOCC2 213959695 571694899 /nfs/dbraw/zinc/69/48/99/571694899.db2.gz FCFSYXGFHKYSBE-NEPJUHHUSA-N 0 0 196.290 2.562 10 0 AFAERN CC[C@@H]1CCC[C@H](SCCO)C1 70565542 571694956 /nfs/dbraw/zinc/69/49/56/571694956.db2.gz ILTLVPHKEUNNJS-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@H]1CCC[C@@H](OCC(C)=O)C1 70564601 571694981 /nfs/dbraw/zinc/69/49/81/571694981.db2.gz RPRNDZKIVUOBJI-WDEREUQCSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@@H]2CCC[C@@H]2O)C1 70567356 571694985 /nfs/dbraw/zinc/69/49/85/571694985.db2.gz QWSROKLODHFKCI-WYUUTHIRSA-N 0 0 182.307 2.974 10 0 AFAERN CSc1nc(C(C)(C)C)ccc1N 213968518 571695034 /nfs/dbraw/zinc/69/50/34/571695034.db2.gz LDMVENISLKIDRQ-UHFFFAOYSA-N 0 0 196.319 2.683 10 0 AFAERN CCCOCC(=O)[C@@H]1CCC[C@H](C)C1 70566324 571695074 /nfs/dbraw/zinc/69/50/74/571695074.db2.gz GQTAEKBKNBCMPD-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@H]1CCC[C@H](O[C@@H](C)C(C)=O)C1 70564583 571695101 /nfs/dbraw/zinc/69/51/01/571695101.db2.gz BDFKIYSTUBNXEP-SRVKXCTJSA-N 0 0 198.306 2.949 10 0 AFAERN CCCOCC(=O)[C@H]1CCC[C@H](C)C1 70566325 571695131 /nfs/dbraw/zinc/69/51/31/571695131.db2.gz GQTAEKBKNBCMPD-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H]1CCC[C@H](C(=O)CCOC)C1 70566300 571695219 /nfs/dbraw/zinc/69/52/19/571695219.db2.gz BJPRDKOMXQYNPL-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CCC(=O)CO[C@@H]1CCC[C@@H](CC)C1 70564592 571695353 /nfs/dbraw/zinc/69/53/53/571695353.db2.gz ZPYXERZESUJBJG-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H]1CCC[C@H](OCC(C)=O)C1 70564598 571695405 /nfs/dbraw/zinc/69/54/05/571695405.db2.gz RPRNDZKIVUOBJI-MNOVXSKESA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)CC[C@@H]1C[C@]12CCCOCC2 213959804 571695413 /nfs/dbraw/zinc/69/54/13/571695413.db2.gz FCFSYXGFHKYSBE-VXGBXAGGSA-N 0 0 196.290 2.562 10 0 AFAERN C[C@H]1CCC[C@H]([C@@H]2CCC[C@@H]2O)C1 70567355 571695422 /nfs/dbraw/zinc/69/54/22/571695422.db2.gz QWSROKLODHFKCI-BJDJZHNGSA-N 0 0 182.307 2.974 10 0 AFAERN CCC(=O)CO[C@H]1CCC[C@H](CC)C1 70564591 571695432 /nfs/dbraw/zinc/69/54/32/571695432.db2.gz ZPYXERZESUJBJG-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CSC[C@@H](O)[C@H]1CCC[C@@H](C)C1 70566508 571695447 /nfs/dbraw/zinc/69/54/47/571695447.db2.gz UJTAOXYYDJTDDT-KXUCPTDWSA-N 0 0 188.336 2.537 10 0 AFAERN COc1ccc(SC)cc1C(C)=O 213958338 571695491 /nfs/dbraw/zinc/69/54/91/571695491.db2.gz ZLNNIJIGDYTDDZ-UHFFFAOYSA-N 0 0 196.271 2.620 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)C[C@@H](C)N2 384896 571695495 /nfs/dbraw/zinc/69/54/95/571695495.db2.gz RYFJDDWDSDQNOW-SECBINFHSA-N 0 0 189.258 2.690 10 0 AFAERN C/C(=C/Cc1ccccc1)[C@@H](C)O 213966054 571695553 /nfs/dbraw/zinc/69/55/53/571695553.db2.gz MUDFTHYDIDIECT-HIJJYWJESA-N 0 0 176.259 2.556 10 0 AFAERN CC[C@H]1CCC[C@H](C(=O)CCOC)C1 70566301 571695619 /nfs/dbraw/zinc/69/56/19/571695619.db2.gz BJPRDKOMXQYNPL-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CCC(=O)CO[C@@H]1CCC[C@H](CC)C1 70564593 571695646 /nfs/dbraw/zinc/69/56/46/571695646.db2.gz ZPYXERZESUJBJG-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H]1CCC[C@@H](O[C@@H](C)C(C)=O)C1 70564584 571695652 /nfs/dbraw/zinc/69/56/52/571695652.db2.gz BDFKIYSTUBNXEP-QJPTWQEYSA-N 0 0 198.306 2.949 10 0 AFAERN CSc1nc(CC(C)C)ccc1N 213968431 571695693 /nfs/dbraw/zinc/69/56/93/571695693.db2.gz GLAXXIBDXCGVOQ-UHFFFAOYSA-N 0 0 196.319 2.584 10 0 AFAERN CC[C@H]1CCC[C@@H](C(=O)CCOC)C1 70566303 571695769 /nfs/dbraw/zinc/69/57/69/571695769.db2.gz BJPRDKOMXQYNPL-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H]1CCC[C@@H](OCC(C)=O)C1 70564600 571695795 /nfs/dbraw/zinc/69/57/95/571695795.db2.gz RPRNDZKIVUOBJI-GHMZBOCLSA-N 0 0 184.279 2.561 10 0 AFAERN CSC[C@@H](O)[C@@H]1CCC[C@@H](C)C1 70566510 571695984 /nfs/dbraw/zinc/69/59/84/571695984.db2.gz UJTAOXYYDJTDDT-OPRDCNLKSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@H]1CCC[C@H](OCCC(C)=O)C1 70564571 571696038 /nfs/dbraw/zinc/69/60/38/571696038.db2.gz HKKRJODODRWUEI-RYUDHWBXSA-N 0 0 198.306 2.951 10 0 AFAERN CCC[C@H](C)C[C@](C)(O)[C@@H](C)OC 229419967 571696054 /nfs/dbraw/zinc/69/60/54/571696054.db2.gz SKMPXTWSVGGZEL-AXFHLTTASA-N 0 0 188.311 2.599 10 0 AFAERN CCC(=O)Sc1ccccc1 389846 571696127 /nfs/dbraw/zinc/69/61/27/571696127.db2.gz XOCHGSFCFAFUCO-UHFFFAOYSA-N 0 0 166.245 2.715 10 0 AFAERN CC[C@@H]1CCC[C@@H](C(=O)CCOC)C1 70566302 571696169 /nfs/dbraw/zinc/69/61/69/571696169.db2.gz BJPRDKOMXQYNPL-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H]1CCC[C@@H](OCCC(C)=O)C1 70564572 571696223 /nfs/dbraw/zinc/69/62/23/571696223.db2.gz HKKRJODODRWUEI-VXGBXAGGSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)CC[C@H]1C[C@]12CCCOCC2 213959866 571696245 /nfs/dbraw/zinc/69/62/45/571696245.db2.gz FCFSYXGFHKYSBE-NWDGAFQWSA-N 0 0 196.290 2.562 10 0 AFAERN CC(=O)CC[C@H]1C[C@@]12CCCOCC2 213959755 571696289 /nfs/dbraw/zinc/69/62/89/571696289.db2.gz FCFSYXGFHKYSBE-RYUDHWBXSA-N 0 0 196.290 2.562 10 0 AFAERN CC[C@H]1CCC[C@@H](SCCO)C1 70565545 571696299 /nfs/dbraw/zinc/69/62/99/571696299.db2.gz ILTLVPHKEUNNJS-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@@H]1CCC[C@H](OCCC(C)=O)C1 70564570 571696307 /nfs/dbraw/zinc/69/63/07/571696307.db2.gz HKKRJODODRWUEI-NEPJUHHUSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H]1CCC[C@H](O[C@@H](C)C(C)=O)C1 70564582 571696377 /nfs/dbraw/zinc/69/63/77/571696377.db2.gz BDFKIYSTUBNXEP-TUAOUCFPSA-N 0 0 198.306 2.949 10 0 AFAERN CC[C@H]1CCC[C@H](SCCO)C1 70565543 571696382 /nfs/dbraw/zinc/69/63/82/571696382.db2.gz ILTLVPHKEUNNJS-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)C[C@H](C)N2 384897 571696514 /nfs/dbraw/zinc/69/65/14/571696514.db2.gz RYFJDDWDSDQNOW-VIFPVBQESA-N 0 0 189.258 2.690 10 0 AFAERN CC[C@H](C)CC(=O)c1nccn1CC 168292740 571696996 /nfs/dbraw/zinc/69/69/96/571696996.db2.gz OYODASNUXDXYQB-VIFPVBQESA-N 0 0 194.278 2.522 10 0 AFAERN CC(C)=C(C)CCCCCO 207231410 571697022 /nfs/dbraw/zinc/69/70/22/571697022.db2.gz CGPJSFOZGOMBSF-UHFFFAOYSA-N 0 0 156.269 2.895 10 0 AFAERN Cc1nc(Cl)c2c(n1)CC(C)(C)C2 213992424 571697117 /nfs/dbraw/zinc/69/71/17/571697117.db2.gz SNKOMMTZYSPGFP-UHFFFAOYSA-N 0 0 196.681 2.563 10 0 AFAERN O=C1CCC[C@@H](CCCCCO)CC1 168260099 571697139 /nfs/dbraw/zinc/69/71/39/571697139.db2.gz CSNYDNVSEFBRJX-LLVKDONJSA-N 0 0 198.306 2.689 10 0 AFAERN CCn1ccnc1C(=O)C(C)(C)CC 168294336 571697088 /nfs/dbraw/zinc/69/70/88/571697088.db2.gz ONODFVGZOJPIQL-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CC(C)O[C@@H](C)C(=O)c1ccccc1 687716653 571697103 /nfs/dbraw/zinc/69/71/03/571697103.db2.gz LWAYVOLZENDDDI-JTQLQIEISA-N 0 0 192.258 2.683 10 0 AFAERN C[C@H](Nc1ccc(O)cc1)C1(C)CC1 37131982 571697579 /nfs/dbraw/zinc/69/75/79/571697579.db2.gz MJIVDLPLYOSYLO-VIFPVBQESA-N 0 0 191.274 2.993 10 0 AFAERN CC[C@@H](C)CNc1ccc(O)cc1 37131736 571697767 /nfs/dbraw/zinc/69/77/67/571697767.db2.gz KUQUKQFPAFGBDP-SECBINFHSA-N 0 0 179.263 2.850 10 0 AFAERN CC/C(=C\C(CC)CC)[N+](=O)[O-] 220418544 571697791 /nfs/dbraw/zinc/69/77/91/571697791.db2.gz MLUQBRGRXBYNPF-VQHVLOKHSA-N 0 0 171.240 2.993 10 0 AFAERN CC/C(=C\[C@@H](C)CC)[N+](=O)[O-] 220418479 571697863 /nfs/dbraw/zinc/69/78/63/571697863.db2.gz MCCYHEQERILHLL-DGUDBNDOSA-N 0 0 157.213 2.603 10 0 AFAERN Cc1c[nH]c(N[C@@H]2CCCC[C@H]2C)[nH+]1 235234557 571697957 /nfs/dbraw/zinc/69/79/57/571697957.db2.gz IAVATXAOJIHHOV-PSASIEDQSA-N 0 0 193.294 2.709 10 0 AFAERN C[C@@H](CCCO)Cc1ccccc1 34763366 571698003 /nfs/dbraw/zinc/69/80/03/571698003.db2.gz AGDZLLRNCUWXEU-NSHDSACASA-N 0 0 178.275 2.638 10 0 AFAERN CC(C)CCNc1ccc(O)cc1 37131870 571698115 /nfs/dbraw/zinc/69/81/15/571698115.db2.gz UHVPOVAZFKNGSM-UHFFFAOYSA-N 0 0 179.263 2.850 10 0 AFAERN C[C@@H](O)C1(CCCC(F)(F)F)CC1 235230326 571698220 /nfs/dbraw/zinc/69/82/20/571698220.db2.gz FQQACBSDIQFZGJ-SSDOTTSWSA-N 0 0 196.212 2.880 10 0 AFAERN C[C@H](O)c1cc(Cl)cc2c1CCC2 213988530 571698359 /nfs/dbraw/zinc/69/83/59/571698359.db2.gz MOUQFAPQAWYURN-ZETCQYMHSA-N 0 0 196.677 2.882 10 0 AFAERN OC1(CCc2ccc(Cl)cc2)CC1 213987748 571698441 /nfs/dbraw/zinc/69/84/41/571698441.db2.gz MBXMKOQAEWBPER-UHFFFAOYSA-N 0 0 196.677 2.798 10 0 AFAERN O=C1CCC[C@H](CCCCCO)CC1 168260175 571698477 /nfs/dbraw/zinc/69/84/77/571698477.db2.gz CSNYDNVSEFBRJX-NSHDSACASA-N 0 0 198.306 2.689 10 0 AFAERN C[C@@H](O)c1cc(Cl)cc2c1CCC2 213988579 571698513 /nfs/dbraw/zinc/69/85/13/571698513.db2.gz MOUQFAPQAWYURN-SSDOTTSWSA-N 0 0 196.677 2.882 10 0 AFAERN CCC(=O)c1ccc(OC)cc1CC 71463278 571698569 /nfs/dbraw/zinc/69/85/69/571698569.db2.gz BKQQFYIWBWADCC-UHFFFAOYSA-N 0 0 192.258 2.850 10 0 AFAERN CC[C@H](C)CNc1ccc(O)cc1 37131737 571698733 /nfs/dbraw/zinc/69/87/33/571698733.db2.gz KUQUKQFPAFGBDP-VIFPVBQESA-N 0 0 179.263 2.850 10 0 AFAERN OCc1cc(Cl)c2c(c1)CCCC2 213988773 571698707 /nfs/dbraw/zinc/69/87/07/571698707.db2.gz DVWDFICFBZCSLT-UHFFFAOYSA-N 0 0 196.677 2.711 10 0 AFAERN CCCCCC(=O)c1nccn1CC 168293054 571698639 /nfs/dbraw/zinc/69/86/39/571698639.db2.gz MWGCSMCWMJNVHL-UHFFFAOYSA-N 0 0 194.278 2.666 10 0 AFAERN CC(C)O[C@H](C)C(=O)c1ccccc1 687716654 571699060 /nfs/dbraw/zinc/69/90/60/571699060.db2.gz LWAYVOLZENDDDI-SNVBAGLBSA-N 0 0 192.258 2.683 10 0 AFAERN CC[C@@H](C)Nc1ccc(OC)c(O)c1 37134722 571699099 /nfs/dbraw/zinc/69/90/99/571699099.db2.gz NWSGFKQJHXRVNQ-MRVPVSSYSA-N 0 0 195.262 2.611 10 0 AFAERN C[C@@H](O)c1cc(Cl)c2c(c1)CCC2 213988701 571699231 /nfs/dbraw/zinc/69/92/31/571699231.db2.gz UZIHOADSSKLWGM-SSDOTTSWSA-N 0 0 196.677 2.882 10 0 AFAERN Cc1c(O)c(Cl)cc(Cl)c1O 401314 571699300 /nfs/dbraw/zinc/69/93/00/571699300.db2.gz HWCWQQRSWJVHDT-UHFFFAOYSA-N 0 0 193.029 2.713 10 0 AFAERN CC[C@H](C)Nc1ccc(OC)c(O)c1 37134723 571699810 /nfs/dbraw/zinc/69/98/10/571699810.db2.gz NWSGFKQJHXRVNQ-QMMMGPOBSA-N 0 0 195.262 2.611 10 0 AFAERN CC(C)Sc1ccco1 206651198 571700927 /nfs/dbraw/zinc/70/09/27/571700927.db2.gz YKJPHZPEXSFDHT-UHFFFAOYSA-N 0 0 142.223 2.780 10 0 AFAERN CCOc1ccc(CC(C)=O)cc1C 82588588 571701712 /nfs/dbraw/zinc/70/17/12/571701712.db2.gz ZLZHBPVQPIRWJZ-UHFFFAOYSA-N 0 0 192.258 2.525 10 0 AFAERN O=C(C1CC1)[C@H]1CCCCCS1 214031028 571703207 /nfs/dbraw/zinc/70/32/07/571703207.db2.gz LXLXEWWJNIGPJM-SECBINFHSA-N 0 0 184.304 2.641 10 0 AFAERN O=C(C1CC1)[C@@H]1CCCCCS1 214031085 571703213 /nfs/dbraw/zinc/70/32/13/571703213.db2.gz LXLXEWWJNIGPJM-VIFPVBQESA-N 0 0 184.304 2.641 10 0 AFAERN C/C=C\[C@H](CCO)CC(C)C 214039820 571705335 /nfs/dbraw/zinc/70/53/35/571705335.db2.gz PORDNDFHVHEEGN-UMCURTJPSA-N 0 0 156.269 2.607 10 0 AFAERN C[C@@H](O)C1(CCc2ccccc2)CC1 235250415 571705698 /nfs/dbraw/zinc/70/56/98/571705698.db2.gz ZRVBOQUZLSXFGW-LLVKDONJSA-N 0 0 190.286 2.780 10 0 AFAERN C/C=C\[C@@H](CCO)CC(C)C 214039693 571706067 /nfs/dbraw/zinc/70/60/67/571706067.db2.gz PORDNDFHVHEEGN-LWTINBJPSA-N 0 0 156.269 2.607 10 0 AFAERN C/C=C\[C@H](CCO)C(C)(C)C 214040674 571706070 /nfs/dbraw/zinc/70/60/70/571706070.db2.gz KUZVVQYNKAUVBS-SSJHQANKSA-N 0 0 156.269 2.607 10 0 AFAERN CC(=O)c1cccn1CCC(C)(C)F 214043252 571706137 /nfs/dbraw/zinc/70/61/37/571706137.db2.gz VWWJJUMIQUOJTA-UHFFFAOYSA-N 0 0 197.253 2.829 10 0 AFAERN CC(C)(F)CCOc1cccc(N)c1 214044100 571706521 /nfs/dbraw/zinc/70/65/21/571706521.db2.gz DWSFFHUEBIWXFE-UHFFFAOYSA-N 0 0 197.253 2.786 10 0 AFAERN CC(=O)c1ccn(CCC(C)(C)F)c1 214043172 571706661 /nfs/dbraw/zinc/70/66/61/571706661.db2.gz OKNULQOQPJRJCC-UHFFFAOYSA-N 0 0 197.253 2.829 10 0 AFAERN CC(C)(F)CCOc1ccccc1N 214043997 571707322 /nfs/dbraw/zinc/70/73/22/571707322.db2.gz WWZSZGFWZKHPIR-UHFFFAOYSA-N 0 0 197.253 2.786 10 0 AFAERN C/C=C\[C@@H](CCO)C(C)(C)C 214040566 571707645 /nfs/dbraw/zinc/70/76/45/571707645.db2.gz KUZVVQYNKAUVBS-UDIARPCQSA-N 0 0 156.269 2.607 10 0 AFAERN COc1cc(Cl)c2onc(C)c2c1 214063967 571708288 /nfs/dbraw/zinc/70/82/88/571708288.db2.gz AHAHAFLKCBLASQ-UHFFFAOYSA-N 0 0 197.621 2.798 10 0 AFAERN C[C@@H](O)C1(CCc2cccs2)CC1 235250615 571708182 /nfs/dbraw/zinc/70/81/82/571708182.db2.gz YPEQEVKKQYHCBN-SECBINFHSA-N 0 0 196.315 2.842 10 0 AFAERN CC[C@H](O)/C(C)=C/Cc1ccccc1 214059492 571708408 /nfs/dbraw/zinc/70/84/08/571708408.db2.gz FWFMWAQKAQUKLJ-STRFDMGBSA-N 0 0 190.286 2.946 10 0 AFAERN C[C@@H](O)C1(CCc2ccsc2)CC1 235250764 571708525 /nfs/dbraw/zinc/70/85/25/571708525.db2.gz FSFQECBSBUYUAE-SECBINFHSA-N 0 0 196.315 2.842 10 0 AFAERN CC[C@H](C)C[C@](C)(O)C1CCC1 393389670 571708511 /nfs/dbraw/zinc/70/85/11/571708511.db2.gz BWXOOWWYKBKJFJ-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1cc(Cl)cc2c1OCCN2 214067192 571708550 /nfs/dbraw/zinc/70/85/50/571708550.db2.gz VWVPTNOPWSVLOD-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN COc1ccc2c(c1Cl)C[C@@H](C)N2 214066915 571708735 /nfs/dbraw/zinc/70/87/35/571708735.db2.gz MIAMVJQCSYQZEI-ZCFIWIBFSA-N 0 0 197.665 2.705 10 0 AFAERN CCc1cc(Cl)c2c(c1)NCCO2 214067272 571708739 /nfs/dbraw/zinc/70/87/39/571708739.db2.gz PZLXXQBJVCKYJP-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN CC[C@H](O)/C(C)=C\Cc1ccccc1 214059439 571708784 /nfs/dbraw/zinc/70/87/84/571708784.db2.gz FWFMWAQKAQUKLJ-FUWURINLSA-N 0 0 190.286 2.946 10 0 AFAERN C/C=C\[C@@H](CCO)CCCC 214051086 571708831 /nfs/dbraw/zinc/70/88/31/571708831.db2.gz CEFIHEZYCYQINR-AYYIZTPMSA-N 0 0 156.269 2.751 10 0 AFAERN C/C=C\[C@H](CCO)C[Si](C)(C)C 214051487 571708918 /nfs/dbraw/zinc/70/89/18/571708918.db2.gz POYLSJFENWPFBG-WWQCOOJYSA-N 0 0 186.371 2.899 10 0 AFAERN CC[C@@H](C)C[C@@](C)(O)C1CCC1 393389667 571708936 /nfs/dbraw/zinc/70/89/36/571708936.db2.gz BWXOOWWYKBKJFJ-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)C[C@](C)(O)C1CCC1 393389661 571708951 /nfs/dbraw/zinc/70/89/51/571708951.db2.gz BWXOOWWYKBKJFJ-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN Oc1ccc(N2CCCC2)c(Cl)c1 214067956 571709204 /nfs/dbraw/zinc/70/92/04/571709204.db2.gz FOTHCSGLDFCVIP-UHFFFAOYSA-N 0 0 197.665 2.646 10 0 AFAERN COc1ccc2c(c1Cl)C[C@H](C)N2 214066967 571709380 /nfs/dbraw/zinc/70/93/80/571709380.db2.gz MIAMVJQCSYQZEI-LURJTMIESA-N 0 0 197.665 2.705 10 0 AFAERN CC[C@H](C)C[C@@](C)(O)C1CCC1 393389657 571709456 /nfs/dbraw/zinc/70/94/56/571709456.db2.gz BWXOOWWYKBKJFJ-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCOc1ccc(N)cc1CSC 38063605 571709565 /nfs/dbraw/zinc/70/95/65/571709565.db2.gz ROKAHAMYWGPNTR-UHFFFAOYSA-N 0 0 197.303 2.531 10 0 AFAERN C/C=C/[C@@H](CCO)CCCC 214051145 571709585 /nfs/dbraw/zinc/70/95/85/571709585.db2.gz CEFIHEZYCYQINR-DFVUYQKZSA-N 0 0 156.269 2.751 10 0 AFAERN CC[C@@H](O)/C(C)=C\Cc1ccccc1 214059549 571709674 /nfs/dbraw/zinc/70/96/74/571709674.db2.gz FWFMWAQKAQUKLJ-PRWOLLLXSA-N 0 0 190.286 2.946 10 0 AFAERN CC[C@H]1Cc2c(ccc(O)c2Cl)N1 214067114 571709784 /nfs/dbraw/zinc/70/97/84/571709784.db2.gz JBYUSVSWILAXCN-LURJTMIESA-N 0 0 197.665 2.792 10 0 AFAERN CC[C@@H]1Cc2c(ccc(O)c2Cl)N1 214067058 571709897 /nfs/dbraw/zinc/70/98/97/571709897.db2.gz JBYUSVSWILAXCN-ZCFIWIBFSA-N 0 0 197.665 2.792 10 0 AFAERN Cc1ccc(N2CC3CC2C3)cc1 214063100 571709932 /nfs/dbraw/zinc/70/99/32/571709932.db2.gz CVIOSYGTRCRDRB-UHFFFAOYSA-N 0 0 173.259 2.594 10 0 AFAERN CC[C@@H](O)/C(C)=C/Cc1ccccc1 214059600 571709973 /nfs/dbraw/zinc/70/99/73/571709973.db2.gz FWFMWAQKAQUKLJ-YGNAEDSMSA-N 0 0 190.286 2.946 10 0 AFAERN COc1c(Cl)ccc2onc(C)c12 214064055 571710153 /nfs/dbraw/zinc/71/01/53/571710153.db2.gz QQUJOQHBYGVIPL-UHFFFAOYSA-N 0 0 197.621 2.798 10 0 AFAERN C/C=C\[C@H](CCO)CCCC 214051030 571710172 /nfs/dbraw/zinc/71/01/72/571710172.db2.gz CEFIHEZYCYQINR-OAQKJQOQSA-N 0 0 156.269 2.751 10 0 AFAERN Cc1cccc(N2CC3CC2C3)c1 214063172 571710386 /nfs/dbraw/zinc/71/03/86/571710386.db2.gz CMBSYNLGAGOMIC-UHFFFAOYSA-N 0 0 173.259 2.594 10 0 AFAERN CC/C(=C/C(=O)OC)c1ccccc1 112734441 571710446 /nfs/dbraw/zinc/71/04/46/571710446.db2.gz ROEVDKBMXAIMTK-KTKRTIGZSA-N 0 0 190.242 2.653 10 0 AFAERN COc1ccc2c(c1Cl)CCCN2 214070131 571710916 /nfs/dbraw/zinc/71/09/16/571710916.db2.gz IRHABZLXXHZGQC-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN C1=C[C@H](n2cccn2)CCCCC1 379289341 571711059 /nfs/dbraw/zinc/71/10/59/571711059.db2.gz CGCGFDDOZDRXIV-NSHDSACASA-N 0 0 176.263 2.945 10 0 AFAERN C[C@H](CSCCO)CC(C)(C)C 214081141 571711501 /nfs/dbraw/zinc/71/15/01/571711501.db2.gz JMBRGRUKIWNRBC-VIFPVBQESA-N 0 0 190.352 2.784 10 0 AFAERN C[C@H]1CC(=S)Nc2ccccc2O1 481207 571711824 /nfs/dbraw/zinc/71/18/24/571711824.db2.gz FQZNRKMSZDFQHF-ZETCQYMHSA-N 0 0 193.271 2.597 10 0 AFAERN C[C@@H]1CC(=S)Nc2ccccc2O1 481208 571711981 /nfs/dbraw/zinc/71/19/81/571711981.db2.gz FQZNRKMSZDFQHF-SSDOTTSWSA-N 0 0 193.271 2.597 10 0 AFAERN COc1c(Cl)ccc2c1CCCN2 214070048 571711949 /nfs/dbraw/zinc/71/19/49/571711949.db2.gz HVYMOUCWVFXPFJ-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN Cc1cn2ccc3ccccc3c2n1 525810 571712108 /nfs/dbraw/zinc/71/21/08/571712108.db2.gz HLVMXHHCZFDVAD-UHFFFAOYSA-N 0 0 182.226 2.796 10 0 AFAERN COc1cc(Cl)c2c(c1)NCCC2 214070829 571713099 /nfs/dbraw/zinc/71/30/99/571713099.db2.gz WTDXMNUREGSADA-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN C1=C[C@@H](n2cccn2)CCCCC1 379289339 571712194 /nfs/dbraw/zinc/71/21/94/571712194.db2.gz CGCGFDDOZDRXIV-LLVKDONJSA-N 0 0 176.263 2.945 10 0 AFAERN COc1cc2c(cc1Cl)NCCC2 214070309 571712281 /nfs/dbraw/zinc/71/22/81/571712281.db2.gz KGYXGBJCUNCEEX-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN COC(=O)c1cscc1CC(C)C 132719311 571712565 /nfs/dbraw/zinc/71/25/65/571712565.db2.gz DJHNDUWKKSYIIE-UHFFFAOYSA-N 0 0 198.287 2.733 10 0 AFAERN CC(=O)Cc1cccc(CC(F)F)c1 214087197 571712610 /nfs/dbraw/zinc/71/26/10/571712610.db2.gz PXQRTWVZBATVRV-UHFFFAOYSA-N 0 0 198.212 2.626 10 0 AFAERN COc1c(Cl)ccc2c1NCCC2 214069971 571712622 /nfs/dbraw/zinc/71/26/22/571712622.db2.gz PDISGZPHOXRERO-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN CC(=O)Cc1ccc(CC(F)F)cc1 214087035 571712831 /nfs/dbraw/zinc/71/28/31/571712831.db2.gz ULPKIUOVEOMRIV-UHFFFAOYSA-N 0 0 198.212 2.626 10 0 AFAERN COc1ccc2c(c1Cl)NCCC2 214069887 571712940 /nfs/dbraw/zinc/71/29/40/571712940.db2.gz WTXBRPICEXPKIW-UHFFFAOYSA-N 0 0 197.665 2.707 10 0 AFAERN C[C@@H](CSCCO)CC(C)(C)C 214081199 571713007 /nfs/dbraw/zinc/71/30/07/571713007.db2.gz JMBRGRUKIWNRBC-SECBINFHSA-N 0 0 190.352 2.784 10 0 AFAERN c1cnc2ccc3[nH]ccc3c2c1 487791 571713188 /nfs/dbraw/zinc/71/31/88/571713188.db2.gz ARQREKCNWFIYIU-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN CC(C)C(=O)[C@@H]1CCCCCS1 214095688 571714139 /nfs/dbraw/zinc/71/41/39/571714139.db2.gz HKGMLWCBJLDBOQ-VIFPVBQESA-N 0 0 186.320 2.887 10 0 AFAERN CCOC(=O)c1csc(CC)c1C 132709399 571714490 /nfs/dbraw/zinc/71/44/90/571714490.db2.gz QJAKESWSIVYGOP-UHFFFAOYSA-N 0 0 198.287 2.796 10 0 AFAERN Oc1cc(N2CCCC2)ccc1Cl 144970544 571714645 /nfs/dbraw/zinc/71/46/45/571714645.db2.gz CBSXQYOXNDUYFU-UHFFFAOYSA-N 0 0 197.665 2.646 10 0 AFAERN C[C@]12CC=CCC[C@@H]1CCC2=O 138788901 571714791 /nfs/dbraw/zinc/71/47/91/571714791.db2.gz WVFOBFKTTHAGIP-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1c(C)c(C)c2[nH]cnc2c1C 551987 571715321 /nfs/dbraw/zinc/71/53/21/571715321.db2.gz DNTYIZWXLLFMLJ-UHFFFAOYSA-N 0 0 174.247 2.797 10 0 AFAERN ClN1C=CNc2ccccc21 116626291 571715960 /nfs/dbraw/zinc/71/59/60/571715960.db2.gz VFNIJBFXAPEVFT-UHFFFAOYSA-N 0 0 166.611 2.544 10 0 AFAERN Cc1ccc2c3c([nH]c2c1)C(=O)CCC3 136267576 571715711 /nfs/dbraw/zinc/71/57/11/571715711.db2.gz CQTILMDIWYKWOF-UHFFFAOYSA-N 0 0 199.253 2.995 10 0 AFAERN CCc1[nH]c(=S)sc1CC 138789041 571715717 /nfs/dbraw/zinc/71/57/17/571715717.db2.gz CFHLPYGPURTAMI-UHFFFAOYSA-N 0 0 173.306 2.930 10 0 AFAERN CC(C)C(=O)[C@H]1CCCCSC1 214095611 571715762 /nfs/dbraw/zinc/71/57/62/571715762.db2.gz UHQPIESKIIDGHM-VIFPVBQESA-N 0 0 186.320 2.745 10 0 AFAERN O[C@@H](/C=C\c1ccccc1)C1CCC1 214092719 571715811 /nfs/dbraw/zinc/71/58/11/571715811.db2.gz NIJFADBSQYCWIE-XPSMFNQNSA-N 0 0 188.270 2.861 10 0 AFAERN COc1c(C)cc(C)c(C)c1C 113211453 571715930 /nfs/dbraw/zinc/71/59/30/571715930.db2.gz YUDITUHXYJCWCV-UHFFFAOYSA-N 0 0 164.248 2.929 10 0 AFAERN CC(C)[C@@H](CCCO)[C@@H]1CCS1 214115745 571716647 /nfs/dbraw/zinc/71/66/47/571716647.db2.gz MUKYJBOLYBTPCH-ZJUUUORDSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@@H](CCCO)[C@H]1CCCCS1 214115084 571718027 /nfs/dbraw/zinc/71/80/27/571718027.db2.gz IIMZYVHIXCTENU-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@@H](CCCO)[C@@H]1CCSC1 214117975 571716713 /nfs/dbraw/zinc/71/67/13/571716713.db2.gz WBDVOMBFFYUPCT-VHSXEESVSA-N 0 0 188.336 2.538 10 0 AFAERN CC[C@H](CO)[C@H]1CCCCCS1 214114155 571716719 /nfs/dbraw/zinc/71/67/19/571716719.db2.gz SMOISMALZVQNOO-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)[C@H](CCO)[C@H]1CCCS1 214115396 571716818 /nfs/dbraw/zinc/71/68/18/571716818.db2.gz CEOZUDMXNJJBSG-VHSXEESVSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@@H](CCCO)[C@@H]1CCCS1 214115479 571716822 /nfs/dbraw/zinc/71/68/22/571716822.db2.gz PORXKMFWMMGSCT-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)(F)CCOc1ccccc1O 214103796 571716828 /nfs/dbraw/zinc/71/68/28/571716828.db2.gz JCMDDIYXONLICG-UHFFFAOYSA-N 0 0 198.237 2.909 10 0 AFAERN CC[C@@H](CO)[C@H]1CCCSCC1 214116139 571716830 /nfs/dbraw/zinc/71/68/30/571716830.db2.gz QSLLGVHWGSKRRI-UWVGGRQHSA-N 0 0 188.336 2.538 10 0 AFAERN CC[C@@H](CCCO)[C@H]1CCCS1 214115600 571716858 /nfs/dbraw/zinc/71/68/58/571716858.db2.gz PORXKMFWMMGSCT-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CC(=O)c1ccccc1SCCF 214106740 571716864 /nfs/dbraw/zinc/71/68/64/571716864.db2.gz RTULRTOFTQRUKH-UHFFFAOYSA-N 0 0 198.262 2.951 10 0 AFAERN CC[C@H](CO)[C@H]1CCCSCC1 214116199 571717058 /nfs/dbraw/zinc/71/70/58/571717058.db2.gz QSLLGVHWGSKRRI-ZJUUUORDSA-N 0 0 188.336 2.538 10 0 AFAERN C[C@@H](CCCO)[C@H]1CCCSC1 214117593 571717075 /nfs/dbraw/zinc/71/70/75/571717075.db2.gz LIRJSTKLGFVHLL-UWVGGRQHSA-N 0 0 188.336 2.538 10 0 AFAERN CC(C)[C@H](CCCO)[C@H]1CCS1 214115919 571717103 /nfs/dbraw/zinc/71/71/03/571717103.db2.gz MUKYJBOLYBTPCH-VHSXEESVSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)[C@H](CO)[C@@H]1CCCCS1 214114550 571717112 /nfs/dbraw/zinc/71/71/12/571717112.db2.gz GSZYUIUJNCJVJV-UWVGGRQHSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@@H]1CC[C@H](NCC(F)(F)F)C1 70642693 571717139 /nfs/dbraw/zinc/71/71/39/571717139.db2.gz FPCUAOOBVRJZPJ-SFYZADRCSA-N 0 0 195.228 2.717 10 0 AFAERN CCCc1ccc(C(F)(F)CN)cc1 137043610 571717143 /nfs/dbraw/zinc/71/71/43/571717143.db2.gz UNOHVDOESPQLKN-UHFFFAOYSA-N 0 0 199.244 2.690 10 0 AFAERN CC[C@H]1CC[C@H](NCC(F)(F)F)C1 70642694 571717153 /nfs/dbraw/zinc/71/71/53/571717153.db2.gz FPCUAOOBVRJZPJ-YUMQZZPRSA-N 0 0 195.228 2.717 10 0 AFAERN CC(C)[C@H](O)[C@H]1CCCCCS1 214113826 571717265 /nfs/dbraw/zinc/71/72/65/571717265.db2.gz JLSRBKUWKSWVIW-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H](CCCO)[C@@H]1CCCCS1 214114970 571717325 /nfs/dbraw/zinc/71/73/25/571717325.db2.gz IIMZYVHIXCTENU-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN CCc1cc(SC)c(O)cc1OC 214113667 571717358 /nfs/dbraw/zinc/71/73/58/571717358.db2.gz HNXGUXICFUAXON-UHFFFAOYSA-N 0 0 198.287 2.685 10 0 AFAERN CCc1cc(OC)c(O)cc1SC 214113752 571717428 /nfs/dbraw/zinc/71/74/28/571717428.db2.gz YWNAECKBGLULBB-UHFFFAOYSA-N 0 0 198.287 2.685 10 0 AFAERN CC(C)(F)CCOc1cccc(O)c1 214103876 571717450 /nfs/dbraw/zinc/71/74/50/571717450.db2.gz CGNTUECKWNMAEG-UHFFFAOYSA-N 0 0 198.237 2.909 10 0 AFAERN CCCCc1cc(OC)ccc1O 34770685 571717519 /nfs/dbraw/zinc/71/75/19/571717519.db2.gz ZRADTNJSPQDCDV-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN C[C@@H](F)CSc1ccccc1C=O 214106654 571717522 /nfs/dbraw/zinc/71/75/22/571717522.db2.gz LRHLJFROSMMIRC-MRVPVSSYSA-N 0 0 198.262 2.949 10 0 AFAERN C[C@@H](CCO)[C@@H]1CCCCCS1 214114237 571717573 /nfs/dbraw/zinc/71/75/73/571717573.db2.gz AYVUMTDHRVEEPH-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)[C@@H](CCO)[C@H]1CCCS1 214115336 571717583 /nfs/dbraw/zinc/71/75/83/571717583.db2.gz CEOZUDMXNJJBSG-NXEZZACHSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)(F)CCOc1ccc(O)cc1 214103722 571717628 /nfs/dbraw/zinc/71/76/28/571717628.db2.gz BDOVFMHGHXLFQZ-UHFFFAOYSA-N 0 0 198.237 2.909 10 0 AFAERN CC(C)[C@@H](CO)[C@@H]1CCCCS1 214114494 571717678 /nfs/dbraw/zinc/71/76/78/571717678.db2.gz GSZYUIUJNCJVJV-ZJUUUORDSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@@H](O)c1cccn1-c1ccccc1 595920 571717722 /nfs/dbraw/zinc/71/77/22/571717722.db2.gz VDJCGQVXCYVCLH-SNVBAGLBSA-N 0 0 187.242 2.531 10 0 AFAERN CC[C@@H](CCO)C1CCSCC1 214116673 571717808 /nfs/dbraw/zinc/71/78/08/571717808.db2.gz QZZAREVCSRLNEM-VIFPVBQESA-N 0 0 188.336 2.538 10 0 AFAERN CC[C@H](CCCO)[C@H]1CCSC1 214118144 571717870 /nfs/dbraw/zinc/71/78/70/571717870.db2.gz WBDVOMBFFYUPCT-ZJUUUORDSA-N 0 0 188.336 2.538 10 0 AFAERN CC(C)[C@@H](O)[C@@H]1CCCCCS1 214113772 571717878 /nfs/dbraw/zinc/71/78/78/571717878.db2.gz JLSRBKUWKSWVIW-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H](CCCO)[C@@H]1CCCSC1 214117476 571717885 /nfs/dbraw/zinc/71/78/85/571717885.db2.gz LIRJSTKLGFVHLL-VHSXEESVSA-N 0 0 188.336 2.538 10 0 AFAERN CC[C@H](CCO)[C@H]1CCCCS1 214114893 571717932 /nfs/dbraw/zinc/71/79/32/571717932.db2.gz NCJCUYDJYVCBEG-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@H](CCCO)[C@@H]1CCCS1 214115534 571718045 /nfs/dbraw/zinc/71/80/45/571718045.db2.gz PORXKMFWMMGSCT-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@@H](CO)[C@@H]1CCCSCC1 214116018 571718144 /nfs/dbraw/zinc/71/81/44/571718144.db2.gz QSLLGVHWGSKRRI-VHSXEESVSA-N 0 0 188.336 2.538 10 0 AFAERN CC(C)[C@@H](CCO)[C@@H]1CCCS1 214115225 571718172 /nfs/dbraw/zinc/71/81/72/571718172.db2.gz CEOZUDMXNJJBSG-ZJUUUORDSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)[C@H](O)[C@@H]1CCCCCS1 214113710 571718193 /nfs/dbraw/zinc/71/81/93/571718193.db2.gz JLSRBKUWKSWVIW-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H](F)CSc1ccc(C=O)cc1 214106372 571718198 /nfs/dbraw/zinc/71/81/98/571718198.db2.gz QWXXTXDKIHKNCP-MRVPVSSYSA-N 0 0 198.262 2.949 10 0 AFAERN CC[C@H](CCO)[C@@H]1CCCCS1 214114793 571718247 /nfs/dbraw/zinc/71/82/47/571718247.db2.gz NCJCUYDJYVCBEG-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN C[C@H](CCCO)[C@H]1CCCCS1 214115142 571718269 /nfs/dbraw/zinc/71/82/69/571718269.db2.gz IIMZYVHIXCTENU-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@H]1CC[C@@H](NCC(F)(F)F)C1 70642696 571718301 /nfs/dbraw/zinc/71/83/01/571718301.db2.gz FPCUAOOBVRJZPJ-JGVFFNPUSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@@H](CCO)[C@@H]1CCCSC1 214117220 571718336 /nfs/dbraw/zinc/71/83/36/571718336.db2.gz NUYXKCWLLPNOEV-VHSXEESVSA-N 0 0 188.336 2.538 10 0 AFAERN C[C@@H](CCCO)C1CCSCC1 214116819 571718344 /nfs/dbraw/zinc/71/83/44/571718344.db2.gz HEAIEHRBCXHPQQ-VIFPVBQESA-N 0 0 188.336 2.538 10 0 AFAERN CC[C@@H](CCO)[C@@H]1CCCCS1 214114742 571718363 /nfs/dbraw/zinc/71/83/63/571718363.db2.gz NCJCUYDJYVCBEG-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@@H](CCO)[C@H]1CCCCS1 214114842 571718378 /nfs/dbraw/zinc/71/83/78/571718378.db2.gz NCJCUYDJYVCBEG-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@@H](CCCO)[C@H]1CCSC1 214118083 571718416 /nfs/dbraw/zinc/71/84/16/571718416.db2.gz WBDVOMBFFYUPCT-UWVGGRQHSA-N 0 0 188.336 2.538 10 0 AFAERN CC(C)[C@@H](O)[C@H]1CCCCCS1 214113890 571718455 /nfs/dbraw/zinc/71/84/55/571718455.db2.gz JLSRBKUWKSWVIW-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@@H]1CC[C@@H](NCC(F)(F)F)C1 70642695 571718459 /nfs/dbraw/zinc/71/84/59/571718459.db2.gz FPCUAOOBVRJZPJ-HTQZYQBOSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@@H](CO)[C@@H]1CCCCCS1 214113980 571718713 /nfs/dbraw/zinc/71/87/13/571718713.db2.gz SMOISMALZVQNOO-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN C[C@@H](F)CSc1cccc(C=O)c1 214106521 571718718 /nfs/dbraw/zinc/71/87/18/571718718.db2.gz RLLYARHZJWPSPT-MRVPVSSYSA-N 0 0 198.262 2.949 10 0 AFAERN CC[C@H](CCO)[C@H]1CCCSC1 214117387 571718738 /nfs/dbraw/zinc/71/87/38/571718738.db2.gz NUYXKCWLLPNOEV-ZJUUUORDSA-N 0 0 188.336 2.538 10 0 AFAERN C[C@H](CCO)[C@H]1CCCCCS1 214114416 571718785 /nfs/dbraw/zinc/71/87/85/571718785.db2.gz AYVUMTDHRVEEPH-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)[C@H](CCO)[C@@H]1CCCS1 214115279 571718822 /nfs/dbraw/zinc/71/88/22/571718822.db2.gz CEOZUDMXNJJBSG-UWVGGRQHSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)[C@H](CO)[C@H]1CCCCS1 214114660 571718841 /nfs/dbraw/zinc/71/88/41/571718841.db2.gz GSZYUIUJNCJVJV-VHSXEESVSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@H](CCCO)[C@@H]1CCSC1 214118029 571718856 /nfs/dbraw/zinc/71/88/56/571718856.db2.gz WBDVOMBFFYUPCT-NXEZZACHSA-N 0 0 188.336 2.538 10 0 AFAERN C[C@H](CCCO)C1CCSCC1 214116877 571718881 /nfs/dbraw/zinc/71/88/81/571718881.db2.gz HEAIEHRBCXHPQQ-SECBINFHSA-N 0 0 188.336 2.538 10 0 AFAERN COc1cc(C2CC2)c(O)cc1Cl 214133864 571719308 /nfs/dbraw/zinc/71/93/08/571719308.db2.gz UFHUZQGQIIKUFI-UHFFFAOYSA-N 0 0 198.649 2.932 10 0 AFAERN COc1c(C)ccc(C(C)=O)c1Cl 214131928 571719388 /nfs/dbraw/zinc/71/93/88/571719388.db2.gz HINFWOPKCDDWLV-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN COc1ccc(C)c(C(C)=O)c1Cl 214132414 571719394 /nfs/dbraw/zinc/71/93/94/571719394.db2.gz UUNKPFJMAOSAPL-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN COc1cc(C)cc(C(C)=O)c1Cl 214132245 571719400 /nfs/dbraw/zinc/71/94/00/571719400.db2.gz IPVQSXWBIPEJAE-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN COc1cc(Cl)c(C)c(C(C)=O)c1 214132334 571719483 /nfs/dbraw/zinc/71/94/83/571719483.db2.gz UWJSPOIJFXKXTA-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN COc1c(O)cc2c(c1Cl)CCC2 214133036 571719619 /nfs/dbraw/zinc/71/96/19/571719619.db2.gz SAUSNCQNNKVLNG-UHFFFAOYSA-N 0 0 198.649 2.543 10 0 AFAERN CC(=O)CC[C@@H]1CC12CCSCC2 214122559 571719624 /nfs/dbraw/zinc/71/96/24/571719624.db2.gz TXIJZKMXBJQODK-SNVBAGLBSA-N 0 0 198.331 2.889 10 0 AFAERN CCc1cc(OC)c(Cl)cc1C=O 214133784 571719648 /nfs/dbraw/zinc/71/96/48/571719648.db2.gz ONACITJGSBJFKG-UHFFFAOYSA-N 0 0 198.649 2.724 10 0 AFAERN CC(=O)CC[C@@H]1C[C@]12CCCSC2 214122815 571719691 /nfs/dbraw/zinc/71/96/91/571719691.db2.gz VGZKMWIQBOCQFU-MNOVXSKESA-N 0 0 198.331 2.889 10 0 AFAERN CCCC[C@H]1C(=O)CC[C@H]1C 116670894 571719702 /nfs/dbraw/zinc/71/97/02/571719702.db2.gz UNFAFRUGXNDKON-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCC[C@H]1C=CCC1=O 116671286 571719855 /nfs/dbraw/zinc/71/98/55/571719855.db2.gz KXXUDJOYVBCZSA-VIFPVBQESA-N 0 0 152.237 2.712 10 0 AFAERN Cc1c(O)cc(Cl)c2c1CCCO2 214133698 571719867 /nfs/dbraw/zinc/71/98/67/571719867.db2.gz XIZXFGQSCWRIKZ-UHFFFAOYSA-N 0 0 198.649 2.679 10 0 AFAERN Cc1cc(O)c(OC2CC2)c(Cl)c1 214133132 571719902 /nfs/dbraw/zinc/71/99/02/571719902.db2.gz ZITWQZHBLHOZHI-UHFFFAOYSA-N 0 0 198.649 2.895 10 0 AFAERN COc1cc(O)cc(Cl)c1C1CC1 214133620 571720035 /nfs/dbraw/zinc/72/00/35/571720035.db2.gz FPKKWXGXSKQSCG-UHFFFAOYSA-N 0 0 198.649 2.932 10 0 AFAERN Oc1ccc([C@H]2CCOC2)c(Cl)c1 214132802 571720133 /nfs/dbraw/zinc/72/01/33/571720133.db2.gz VDTCYPHQPSTDKW-ZETCQYMHSA-N 0 0 198.649 2.550 10 0 AFAERN CC(=O)C[C@@H]1C[C@]12CCCSCC2 214122423 571720156 /nfs/dbraw/zinc/72/01/56/571720156.db2.gz HZFXJBWNZSLLSK-GHMZBOCLSA-N 0 0 198.331 2.889 10 0 AFAERN CCCC[C@@H]1C(=O)CC[C@H]1C 116670896 571720164 /nfs/dbraw/zinc/72/01/64/571720164.db2.gz UNFAFRUGXNDKON-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN Oc1ccc(OC2CCC2)c(Cl)c1 214133299 571720309 /nfs/dbraw/zinc/72/03/09/571720309.db2.gz SRFYJNLNRGVSIP-UHFFFAOYSA-N 0 0 198.649 2.977 10 0 AFAERN CC(=O)CC[C@H]1CC12CCSCC2 214122622 571720328 /nfs/dbraw/zinc/72/03/28/571720328.db2.gz TXIJZKMXBJQODK-JTQLQIEISA-N 0 0 198.331 2.889 10 0 AFAERN COc1cc(Cl)cc(C(C)=O)c1C 214132666 571720343 /nfs/dbraw/zinc/72/03/43/571720343.db2.gz CVAMBQWVEVTNKP-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN CC(=O)CC[C@@H]1C[C@@]12CCCSC2 214122701 571720422 /nfs/dbraw/zinc/72/04/22/571720422.db2.gz VGZKMWIQBOCQFU-GHMZBOCLSA-N 0 0 198.331 2.889 10 0 AFAERN CC(=O)C[C@H]1C[C@]12CCCSCC2 214122476 571720425 /nfs/dbraw/zinc/72/04/25/571720425.db2.gz HZFXJBWNZSLLSK-WDEREUQCSA-N 0 0 198.331 2.889 10 0 AFAERN CC(=O)CC[C@H]1C[C@@]12CCCSC2 214122757 571720485 /nfs/dbraw/zinc/72/04/85/571720485.db2.gz VGZKMWIQBOCQFU-WDEREUQCSA-N 0 0 198.331 2.889 10 0 AFAERN CCc1c(C=O)cc(Cl)cc1OC 214134043 571720503 /nfs/dbraw/zinc/72/05/03/571720503.db2.gz MIGJBLRMBXHJLP-UHFFFAOYSA-N 0 0 198.649 2.724 10 0 AFAERN CC1(C)Cc2cc(O)cc(Cl)c2O1 214133382 571720523 /nfs/dbraw/zinc/72/05/23/571720523.db2.gz WSLIWFMHRZRKSK-UHFFFAOYSA-N 0 0 198.649 2.759 10 0 AFAERN CCCC[C@@H]1C(=O)CC[C@@H]1C 116670891 571720556 /nfs/dbraw/zinc/72/05/56/571720556.db2.gz UNFAFRUGXNDKON-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN Clc1cnsc1Br 214127896 571720628 /nfs/dbraw/zinc/72/06/28/571720628.db2.gz WCUCCFUPEACPHC-UHFFFAOYSA-N 0 0 198.472 2.559 10 0 AFAERN CCCCC[C@@H]1C=CCC1=O 116671283 571720676 /nfs/dbraw/zinc/72/06/76/571720676.db2.gz KXXUDJOYVBCZSA-SECBINFHSA-N 0 0 152.237 2.712 10 0 AFAERN CC(=O)c1c(Cl)n[nH]c1C1CCC1 214135234 571720946 /nfs/dbraw/zinc/72/09/46/571720946.db2.gz KLNOIBBZZICRTG-UHFFFAOYSA-N 0 0 198.653 2.533 10 0 AFAERN CC(=O)C[C@H]1C[C@@]12CCCSCC2 214122363 571720855 /nfs/dbraw/zinc/72/08/55/571720855.db2.gz HZFXJBWNZSLLSK-QWRGUYRKSA-N 0 0 198.331 2.889 10 0 AFAERN CC(=O)C[C@@H]1C[C@@]12CCCSCC2 214122310 571720996 /nfs/dbraw/zinc/72/09/96/571720996.db2.gz HZFXJBWNZSLLSK-MNOVXSKESA-N 0 0 198.331 2.889 10 0 AFAERN CCC(=O)[C@H](C)C[C@@H]1CCCC[C@H]1O 393394114 571721118 /nfs/dbraw/zinc/72/11/18/571721118.db2.gz UDBWUHAFJVNXHK-JFGNBEQYSA-N 0 0 198.306 2.543 10 0 AFAERN COc1c(C)c(Cl)cc(C=O)c1C 214133955 571721158 /nfs/dbraw/zinc/72/11/58/571721158.db2.gz HFTMZFWKKYSWBO-UHFFFAOYSA-N 0 0 198.649 2.778 10 0 AFAERN COc1c(Cl)ccc(C)c1C(C)=O 214132006 571721204 /nfs/dbraw/zinc/72/12/04/571721204.db2.gz LYGTUKJABBCQBR-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN CC(=O)CC[C@H]1C[C@]12CCCSC2 214122869 571721183 /nfs/dbraw/zinc/72/11/83/571721183.db2.gz VGZKMWIQBOCQFU-QWRGUYRKSA-N 0 0 198.331 2.889 10 0 AFAERN Cc1ccc(/C=C\Br)cn1 98187810 571721624 /nfs/dbraw/zinc/72/16/24/571721624.db2.gz KYGQCGQXBBYNTJ-PLNGDYQASA-N 0 0 198.063 2.756 10 0 AFAERN CCC(=O)[C@H](C)C[C@H]1CCCC[C@H]1O 393394110 571721677 /nfs/dbraw/zinc/72/16/77/571721677.db2.gz UDBWUHAFJVNXHK-CKYFFXLPSA-N 0 0 198.306 2.543 10 0 AFAERN CCCCO/C=C\Br 139519857 571722006 /nfs/dbraw/zinc/72/20/06/571722006.db2.gz NAXWONAKFDZBHI-XQRVVYSFSA-N 0 0 179.057 2.669 10 0 AFAERN CCC(=O)[C@H](C)C[C@@H]1CCCC[C@@H]1O 393394115 571722165 /nfs/dbraw/zinc/72/21/65/571722165.db2.gz UDBWUHAFJVNXHK-SCVCMEIPSA-N 0 0 198.306 2.543 10 0 AFAERN C/C=C\[C@H]1[C@H](C)[C@H]1[C@@H](O)CCCC 139541849 571722189 /nfs/dbraw/zinc/72/21/89/571722189.db2.gz QVYMCSQSQHUBTB-TUTUDVEASA-N 0 0 182.307 2.996 10 0 AFAERN CC(C)c1nc(Cl)sc1N 214140066 571722367 /nfs/dbraw/zinc/72/23/67/571722367.db2.gz ZSLFSNILJNBBFF-UHFFFAOYSA-N 0 0 176.672 2.502 10 0 AFAERN C/C=C/c1ccc(OC)cc1 725387673 571722788 /nfs/dbraw/zinc/72/27/88/571722788.db2.gz FHEBGTVPGWCZEB-ONEGZZNKSA-N 0 0 147.197 2.542 10 0 AFAERN C[C@@H](Nc1[nH]cc[nH+]1)c1cccs1 235283375 571722908 /nfs/dbraw/zinc/72/29/08/571722908.db2.gz RUTLUIDJIFTSAD-SSDOTTSWSA-N 0 0 193.275 2.644 10 0 AFAERN CCCCCC(C)(C)OC(C)=O 139462026 571723048 /nfs/dbraw/zinc/72/30/48/571723048.db2.gz FSYCIDOKODUCKW-UHFFFAOYSA-N 0 0 172.268 2.908 10 0 AFAERN O=Cc1cccc(NCCC(F)F)c1 214148321 571723169 /nfs/dbraw/zinc/72/31/69/571723169.db2.gz MQYUXCVOBVXPAO-UHFFFAOYSA-N 0 0 199.200 2.566 10 0 AFAERN O=Cc1ccc(NCCC(F)F)cc1 214148073 571723172 /nfs/dbraw/zinc/72/31/72/571723172.db2.gz HKRAMKQUNGXTDX-UHFFFAOYSA-N 0 0 199.200 2.566 10 0 AFAERN O=Cc1ccccc1NCCC(F)F 214148568 571723390 /nfs/dbraw/zinc/72/33/90/571723390.db2.gz AGECBCFAZNVJFL-UHFFFAOYSA-N 0 0 199.200 2.566 10 0 AFAERN CCCC[C@H](C)[C@@H](O)C1=COCCC1 301000694 571723474 /nfs/dbraw/zinc/72/34/74/571723474.db2.gz XXKSHKBZLBSLIC-CMPLNLGQSA-N 0 0 198.306 2.868 10 0 AFAERN CC1=C([C@H](C)O)C(C)(C)CCC1 116709916 571723812 /nfs/dbraw/zinc/72/38/12/571723812.db2.gz KWKYERSZCHHKHD-VIFPVBQESA-N 0 0 168.280 2.894 10 0 AFAERN CCC(=O)c1c(N)sc(C)c1C 116695227 571723855 /nfs/dbraw/zinc/72/38/55/571723855.db2.gz JXAICFRSZFRBNT-UHFFFAOYSA-N 0 0 183.276 2.540 10 0 AFAERN C[C@@H]1C[C@@H]1/C=C/C(=O)OC(C)(C)C 139840349 571723879 /nfs/dbraw/zinc/72/38/79/571723879.db2.gz YDEIXKXPUOWLKO-RKWMXMRGSA-N 0 0 182.263 2.540 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](C)CO 34773687 571724002 /nfs/dbraw/zinc/72/40/02/571724002.db2.gz SPZKOUBIZRBFQY-VHSXEESVSA-N 0 0 158.285 2.687 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)C1=COCCC1 301000699 571724179 /nfs/dbraw/zinc/72/41/79/571724179.db2.gz XXKSHKBZLBSLIC-ZYHUDNBSSA-N 0 0 198.306 2.868 10 0 AFAERN CCCC[C@@H](C)[C@H](O)C1=COCCC1 301000697 571724184 /nfs/dbraw/zinc/72/41/84/571724184.db2.gz XXKSHKBZLBSLIC-PWSUYJOCSA-N 0 0 198.306 2.868 10 0 AFAERN CC[C@@H](C)CC1([C@H](C)O)CC1 233818907 571724522 /nfs/dbraw/zinc/72/45/22/571724522.db2.gz XUUZVLLHVWCRDN-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN O=C(C1CCCC1)[C@@H]1CCCOCC1 214158064 571724635 /nfs/dbraw/zinc/72/46/35/571724635.db2.gz OPSPYTMAUXWAOV-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN O=C(CBr)c1ccccc1 100180522 571724773 /nfs/dbraw/zinc/72/47/73/571724773.db2.gz LRWRBVJOXUVMHR-SOFGYWHQSA-N 0 0 199.047 2.938 10 0 AFAERN CC[C@@H](C)CC1([C@@H](C)O)CC1 233818866 571724878 /nfs/dbraw/zinc/72/48/78/571724878.db2.gz XUUZVLLHVWCRDN-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](C)CC1(O)CC(C)C1 233818706 571724921 /nfs/dbraw/zinc/72/49/21/571724921.db2.gz ATMIASDMRFSSJJ-XNWIYYODSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)c1ccc2c(ccc[n+]2[O-])c1 116750609 571724953 /nfs/dbraw/zinc/72/49/53/571724953.db2.gz NJZVZIKDQXGOIH-UHFFFAOYSA-N 0 0 187.242 2.597 10 0 AFAERN O=C(C1CCCC1)[C@@H]1CCCCOC1 214157594 571725101 /nfs/dbraw/zinc/72/51/01/571725101.db2.gz BRSLNGYBKZWBAB-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN C1=C[C@@H](OCc2ccccc2)CC1 139718119 571725196 /nfs/dbraw/zinc/72/51/96/571725196.db2.gz UFSZRFQRWVWKMW-GFCCVEGCSA-N 0 0 174.243 2.922 10 0 AFAERN O=C(C1CCCC1)[C@H]1CCCCOC1 214157658 571725503 /nfs/dbraw/zinc/72/55/03/571725503.db2.gz BRSLNGYBKZWBAB-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN Nc1cccc(C(F)(F)C(F)F)c1 116741341 571726134 /nfs/dbraw/zinc/72/61/34/571726134.db2.gz QQDDEEKSIUNCFT-UHFFFAOYSA-N 0 0 193.143 2.626 10 0 AFAERN O=C(C1CCCC1)[C@H]1CCCOCC1 214158129 571725725 /nfs/dbraw/zinc/72/57/25/571725725.db2.gz OPSPYTMAUXWAOV-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN O=C(C1CCCC1)[C@@H]1CCCCCO1 214157773 571725936 /nfs/dbraw/zinc/72/59/36/571725936.db2.gz JCZFCWPABDDEIA-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN Cc1cc(C)c2c(N)c(C)sc2n1 713272 571725951 /nfs/dbraw/zinc/72/59/51/571725951.db2.gz DNZWLPPUXHZFIL-UHFFFAOYSA-N 0 0 192.287 2.804 10 0 AFAERN CC[C@H](COC)n1c(C)ccc1C 70659044 571726156 /nfs/dbraw/zinc/72/61/56/571726156.db2.gz WIZZPLZXCPMZMM-LLVKDONJSA-N 0 0 181.279 2.702 10 0 AFAERN COC[C@H](C)C(=O)[C@@H]1CCC[C@H](C)C1 69904418 571726244 /nfs/dbraw/zinc/72/62/44/571726244.db2.gz DLDYUFMFJWGRRF-GARJFASQSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@@H](COC)n1c(C)ccc1C 70659043 571726429 /nfs/dbraw/zinc/72/64/29/571726429.db2.gz WIZZPLZXCPMZMM-NSHDSACASA-N 0 0 181.279 2.702 10 0 AFAERN CC[C@](O)(c1cncs1)C1CCC1 710801667 571726544 /nfs/dbraw/zinc/72/65/44/571726544.db2.gz XCMWEAZTCIUGNS-SNVBAGLBSA-N 0 0 197.303 2.541 10 0 AFAERN COC[C@H](C)C(=O)C1CCC(C)CC1 69904419 571726642 /nfs/dbraw/zinc/72/66/42/571726642.db2.gz DIPQMUBAUKEKSO-YVNMAJEFSA-N 0 0 198.306 2.664 10 0 AFAERN CC(=O)c1cccc(-c2cccn2C)c1 214178525 571726846 /nfs/dbraw/zinc/72/68/46/571726846.db2.gz ATTPIVCXRSMIBA-UHFFFAOYSA-N 0 0 199.253 2.895 10 0 AFAERN COC[C@H](C)C(=O)[C@H]1CCC[C@H](C)C1 69904415 571727039 /nfs/dbraw/zinc/72/70/39/571727039.db2.gz DLDYUFMFJWGRRF-DCAQKATOSA-N 0 0 198.306 2.664 10 0 AFAERN CC(=O)c1ccccc1-c1cccn1C 214178449 571727688 /nfs/dbraw/zinc/72/76/88/571727688.db2.gz GTWKPWFJBYIFER-UHFFFAOYSA-N 0 0 199.253 2.895 10 0 AFAERN Cc1cc(-c2ccccc2)c(C=O)n1C 214178375 571727816 /nfs/dbraw/zinc/72/78/16/571727816.db2.gz LTSXJFIGAOXGNK-UHFFFAOYSA-N 0 0 199.253 2.813 10 0 AFAERN CC(=O)c1ccc(-c2cccn2C)cc1 214178611 571728489 /nfs/dbraw/zinc/72/84/89/571728489.db2.gz BVTWRAWJUGBSAM-UHFFFAOYSA-N 0 0 199.253 2.895 10 0 AFAERN c1ccc(-c2cccc3c2NCC3)nc1 712251530 571728541 /nfs/dbraw/zinc/72/85/41/571728541.db2.gz KLEKXQUXTJTRFH-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN COC[C@H](C)C(=O)[C@@H]1CCC[C@@H](C)C1 69904416 571728562 /nfs/dbraw/zinc/72/85/62/571728562.db2.gz DLDYUFMFJWGRRF-OUAUKWLOSA-N 0 0 198.306 2.664 10 0 AFAERN CC(=O)c1ccc2[nH]c3c(c2c1)CCC3 214178682 571728580 /nfs/dbraw/zinc/72/85/80/571728580.db2.gz OQMUZTWLXVRQCN-UHFFFAOYSA-N 0 0 199.253 2.859 10 0 AFAERN CCCNC(=S)/C(F)=C\C(C)C 140227604 571728949 /nfs/dbraw/zinc/72/89/49/571728949.db2.gz WZPRIQJDMPOXHN-SOFGYWHQSA-N 0 0 189.299 2.823 10 0 AFAERN COC[C@H](C)C(=O)[C@H]1CCC[C@@H](C)C1 69904414 571729051 /nfs/dbraw/zinc/72/90/51/571729051.db2.gz DLDYUFMFJWGRRF-VWYCJHECSA-N 0 0 198.306 2.664 10 0 AFAERN CCC[C@H](C)O[C@@H](C)CC(C)=O 687798730 571729150 /nfs/dbraw/zinc/72/91/50/571729150.db2.gz DUCKIOHOXPDKSQ-UWVGGRQHSA-N 0 0 172.268 2.559 10 0 AFAERN CCC[C@@H](C)O[C@H](C)CC(C)=O 687798729 571729424 /nfs/dbraw/zinc/72/94/24/571729424.db2.gz DUCKIOHOXPDKSQ-NXEZZACHSA-N 0 0 172.268 2.559 10 0 AFAERN CCC[C@H](C)Cn1nccc1C 70688334 571729620 /nfs/dbraw/zinc/72/96/20/571729620.db2.gz BYTXFWVRFBAAAV-VIFPVBQESA-N 0 0 166.268 2.628 10 0 AFAERN CC(C)=CCSc1ncccc1N 37191095 571729931 /nfs/dbraw/zinc/72/99/31/571729931.db2.gz DDKGLBVLLHBNAU-UHFFFAOYSA-N 0 0 194.303 2.722 10 0 AFAERN CC[C@H]1C[C@H]1Nc1cccc(C)c1N 234133362 571729972 /nfs/dbraw/zinc/72/99/72/571729972.db2.gz KARDQYMBRPKAKC-GXSJLCMTSA-N 0 0 190.290 2.788 10 0 AFAERN C/C=C1/CNc2ccccc21 24326510 571729945 /nfs/dbraw/zinc/72/99/45/571729945.db2.gz KHNCEJFANINJCC-WAPJZHGLSA-N 0 0 145.205 2.515 10 0 AFAERN C[C@H](CC(C)(C)C)O[C@H](C)[C@@H](C)O 140286163 571730039 /nfs/dbraw/zinc/73/00/39/571730039.db2.gz HRCSWLFBZQYFSX-OPRDCNLKSA-N 0 0 188.311 2.597 10 0 AFAERN CCC[C@H](C)Cn1ccc(C)n1 70687996 571730244 /nfs/dbraw/zinc/73/02/44/571730244.db2.gz GMKULJBSXTZDSW-VIFPVBQESA-N 0 0 166.268 2.628 10 0 AFAERN CC[C@H]1C[C@H]1Nc1cccc(N)c1C 234133567 571730269 /nfs/dbraw/zinc/73/02/69/571730269.db2.gz NAEONKBEIOVTTG-JOYOIKCWSA-N 0 0 190.290 2.788 10 0 AFAERN CC(=O)Cc1cc(Cl)n(C(C)C)c1 214200859 571730377 /nfs/dbraw/zinc/73/03/77/571730377.db2.gz XZJINLVDJNUQDR-UHFFFAOYSA-N 0 0 199.681 2.854 10 0 AFAERN CCC[C@H](C)N(C)CC(F)(F)F 687798685 571730413 /nfs/dbraw/zinc/73/04/13/571730413.db2.gz GWUVQYMCJVQVRL-ZETCQYMHSA-N 0 0 183.217 2.669 10 0 AFAERN OCC1(C(F)F)CCCCCC1 214182243 571730447 /nfs/dbraw/zinc/73/04/47/571730447.db2.gz NIGCTWODSNOIOL-UHFFFAOYSA-N 0 0 178.222 2.584 10 0 AFAERN CCC[C@@H](C)N(C)CC(F)(F)F 687798684 571730570 /nfs/dbraw/zinc/73/05/70/571730570.db2.gz GWUVQYMCJVQVRL-SSDOTTSWSA-N 0 0 183.217 2.669 10 0 AFAERN CCC[C@@H](C)Cn1ccc(C)n1 70687990 571730605 /nfs/dbraw/zinc/73/06/05/571730605.db2.gz GMKULJBSXTZDSW-SECBINFHSA-N 0 0 166.268 2.628 10 0 AFAERN CCC[C@@H](C)Cn1nccc1C 70688333 571730631 /nfs/dbraw/zinc/73/06/31/571730631.db2.gz BYTXFWVRFBAAAV-SECBINFHSA-N 0 0 166.268 2.628 10 0 AFAERN CCCCCCn1ccc(C)n1 70687794 571730745 /nfs/dbraw/zinc/73/07/45/571730745.db2.gz IPLOEEAIKGPQFW-UHFFFAOYSA-N 0 0 166.268 2.772 10 0 AFAERN O=Cc1onc(C2CCCC2)c1Cl 214196998 571730779 /nfs/dbraw/zinc/73/07/79/571730779.db2.gz LNDAMVZPGMSRIX-UHFFFAOYSA-N 0 0 199.637 2.798 10 0 AFAERN CCC[C@H](C)O[C@H](C)CC(C)=O 687798731 571730825 /nfs/dbraw/zinc/73/08/25/571730825.db2.gz DUCKIOHOXPDKSQ-VHSXEESVSA-N 0 0 172.268 2.559 10 0 AFAERN CCCCCCn1nccc1C 70688264 571730843 /nfs/dbraw/zinc/73/08/43/571730843.db2.gz IQXQZPMJXJIJSL-UHFFFAOYSA-N 0 0 166.268 2.772 10 0 AFAERN CC[C@H]1C[C@H]1Nc1cccc(F)c1N 234133519 571731075 /nfs/dbraw/zinc/73/10/75/571731075.db2.gz MADSYPLOHCSCSP-OIBJUYFYSA-N 0 0 194.253 2.618 10 0 AFAERN FCc1coc2ccccc12 24429087 571731242 /nfs/dbraw/zinc/73/12/42/571731242.db2.gz MBUHQQUHYBJQBD-UHFFFAOYSA-N 0 0 150.152 2.902 10 0 AFAERN CCC[C@@H](C)O[C@@H](C)CC(C)=O 687798733 571731277 /nfs/dbraw/zinc/73/12/77/571731277.db2.gz DUCKIOHOXPDKSQ-ZJUUUORDSA-N 0 0 172.268 2.559 10 0 AFAERN O=Cc1nc(Cl)oc1C1CCCC1 214196943 571731357 /nfs/dbraw/zinc/73/13/57/571731357.db2.gz OEYOOUAEVJKWOA-UHFFFAOYSA-N 0 0 199.637 2.798 10 0 AFAERN CC(=O)CC=C1CCCCC1 138794312 571731797 /nfs/dbraw/zinc/73/17/97/571731797.db2.gz PDXPTGSXSSYDQU-UHFFFAOYSA-N 0 0 152.237 2.856 10 0 AFAERN CC(C)CCc1nc([C@@H](C)O)cs1 70843268 571732205 /nfs/dbraw/zinc/73/22/05/571732205.db2.gz XUGUDTPMHOECTN-MRVPVSSYSA-N 0 0 199.319 2.785 10 0 AFAERN CCCC[C@H](CC)c1nc(N)ns1 70839446 571733226 /nfs/dbraw/zinc/73/32/26/571733226.db2.gz XSIPTYURVUMBEI-ZETCQYMHSA-N 0 0 199.323 2.804 10 0 AFAERN CCCC[C@@H](CC)c1nc(N)ns1 70839442 571733270 /nfs/dbraw/zinc/73/32/70/571733270.db2.gz XSIPTYURVUMBEI-SSDOTTSWSA-N 0 0 199.323 2.804 10 0 AFAERN CC(C)CCc1nc([C@H](C)O)cs1 70843276 571733607 /nfs/dbraw/zinc/73/36/07/571733607.db2.gz XUGUDTPMHOECTN-QMMMGPOBSA-N 0 0 199.319 2.785 10 0 AFAERN C/C=C/Cc1cccc(C)c1 725424957 571733869 /nfs/dbraw/zinc/73/38/69/571733869.db2.gz NJBYEWMINPJTAX-ONEGZZNKSA-N 0 0 145.225 2.928 10 0 AFAERN c1ccn(-c2ccc3c(c2)CCCN3)c1 70841730 571734009 /nfs/dbraw/zinc/73/40/09/571734009.db2.gz VCENCAAYRPGXML-UHFFFAOYSA-N 0 0 198.269 2.835 10 0 AFAERN CCOc1c(C)cc(C)cc1C(C)=O 24549932 571734877 /nfs/dbraw/zinc/73/48/77/571734877.db2.gz QAVJAYMHKPZDFY-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CC1=COCc2ccccc21 24601572 571736292 /nfs/dbraw/zinc/73/62/92/571736292.db2.gz GLFVCAAZLNKMIU-UHFFFAOYSA-N 0 0 146.189 2.578 10 0 AFAERN Oc1cccc([C@H]2CCSC2)c1 214250094 571739898 /nfs/dbraw/zinc/73/98/98/571739898.db2.gz PXLARZIYLWWJQO-VIFPVBQESA-N 0 0 180.272 2.613 10 0 AFAERN Oc1cccc([C@@H]2CCSC2)c1 214250032 571738672 /nfs/dbraw/zinc/73/86/72/571738672.db2.gz PXLARZIYLWWJQO-SECBINFHSA-N 0 0 180.272 2.613 10 0 AFAERN Cc1[nH]c2c(c1C)CC[C@@H](C)C2 196063592 571741032 /nfs/dbraw/zinc/74/10/32/571741032.db2.gz XSRAJMXRUUBZSG-SSDOTTSWSA-N 0 0 163.264 2.756 10 0 AFAERN O=C(C1CCCC1)[C@H]1CCCSC1 214263604 571738991 /nfs/dbraw/zinc/73/89/91/571738991.db2.gz DGUFNMNEFOBCBN-JTQLQIEISA-N 0 0 198.331 2.889 10 0 AFAERN O=C(C1CCC1)[C@@H]1CCCCSC1 214263029 571739009 /nfs/dbraw/zinc/73/90/09/571739009.db2.gz VACSTCUULAZVQW-SNVBAGLBSA-N 0 0 198.331 2.889 10 0 AFAERN O=C(C1CCCC1)[C@@H]1CCCSC1 214263544 571739031 /nfs/dbraw/zinc/73/90/31/571739031.db2.gz DGUFNMNEFOBCBN-SNVBAGLBSA-N 0 0 198.331 2.889 10 0 AFAERN CCc1cc(O)cc(C)c1C 196066528 571739407 /nfs/dbraw/zinc/73/94/07/571739407.db2.gz BLBOUDCZBKATGD-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN O=C(C1CCC1)[C@H]1CCCCSC1 214263093 571739461 /nfs/dbraw/zinc/73/94/61/571739461.db2.gz VACSTCUULAZVQW-JTQLQIEISA-N 0 0 198.331 2.889 10 0 AFAERN COCC1(C(=O)CC(C)C)CCCC1 168828794 571741688 /nfs/dbraw/zinc/74/16/88/571741688.db2.gz BYHCPKWWRPIXAJ-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)[C@@](C)(O)CCC(F)(F)F 70916907 571742500 /nfs/dbraw/zinc/74/25/00/571742500.db2.gz TWBSDHGWGPBBMK-ZETCQYMHSA-N 0 0 184.201 2.736 10 0 AFAERN Oc1ccc([C@H]2CCSC2)cc1 214249950 571739857 /nfs/dbraw/zinc/73/98/57/571739857.db2.gz FQQQHPZMEWEYGD-VIFPVBQESA-N 0 0 180.272 2.613 10 0 AFAERN CC[C@H](C)C(=O)Cc1ccsc1 38125612 571740026 /nfs/dbraw/zinc/74/00/26/571740026.db2.gz JDRSMYGCXRFSGD-QMMMGPOBSA-N 0 0 182.288 2.906 10 0 AFAERN S=c1[nH]ccn1[C@@H]1C[C@H]2CC[C@@H]1C2 70711137 571743399 /nfs/dbraw/zinc/74/33/99/571743399.db2.gz JNVQJCSBYLFEKL-DJLDLDEBSA-N 0 0 194.303 2.907 10 0 AFAERN Cc1[nH]c2c(c1C)CC[C@H](C)C2 196063582 571740417 /nfs/dbraw/zinc/74/04/17/571740417.db2.gz XSRAJMXRUUBZSG-ZETCQYMHSA-N 0 0 163.264 2.756 10 0 AFAERN Oc1cccc(C2(O)CCCCC2)c1 140567607 571740449 /nfs/dbraw/zinc/74/04/49/571740449.db2.gz OSKJZWWOWAGNJU-UHFFFAOYSA-N 0 0 192.258 2.544 10 0 AFAERN c1cncc(-c2cc3cc-3c2)c1 140706795 571743937 /nfs/dbraw/zinc/74/39/37/571743937.db2.gz OQKKKRPMFFWSDA-UHFFFAOYSA-N 0 0 153.184 2.729 10 0 AFAERN CC[C@@H](O)C(C)=C(SC)SC 196066039 571740821 /nfs/dbraw/zinc/74/08/21/571740821.db2.gz XZNVDPBOUMFNQC-SSDOTTSWSA-N 0 0 192.349 2.715 10 0 AFAERN Cc1cc2cccc(CCO)c2s1 196061367 571740842 /nfs/dbraw/zinc/74/08/42/571740842.db2.gz WKFKVOFZZDJEQJ-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN CCc1cc(C)cc(O)c1C 196066511 571740888 /nfs/dbraw/zinc/74/08/88/571740888.db2.gz OHMOWTBZHUAFMQ-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN CCc1ccn2ccccc12 24727451 571740927 /nfs/dbraw/zinc/74/09/27/571740927.db2.gz VNGKSHBCCVJAIO-UHFFFAOYSA-N 0 0 145.205 2.502 10 0 AFAERN c1cnc2nc(C3CCCC3)oc2c1 12947543 571740967 /nfs/dbraw/zinc/74/09/67/571740967.db2.gz BSAIVTCDFWNRKV-UHFFFAOYSA-N 0 0 188.230 2.880 10 0 AFAERN CC[C@H](O)C(C)=C(SC)SC 196066028 571740978 /nfs/dbraw/zinc/74/09/78/571740978.db2.gz XZNVDPBOUMFNQC-ZETCQYMHSA-N 0 0 192.349 2.715 10 0 AFAERN CCCC[C@]12CCC(=O)[C@@]1(C)C2 196065974 571740999 /nfs/dbraw/zinc/74/09/99/571740999.db2.gz XQTGNICQUZFSGG-GHMZBOCLSA-N 0 0 166.264 2.936 10 0 AFAERN C(=C\n1ccnc1)\c1ccccc1 13281677 571741049 /nfs/dbraw/zinc/74/10/49/571741049.db2.gz NSAWYJIGEZYSEY-VURMDHGXSA-N 0 0 170.215 2.511 10 0 AFAERN CC(C)(C)[C@@H](O)CCC(F)(F)F 70915584 571741326 /nfs/dbraw/zinc/74/13/26/571741326.db2.gz ZADBPZNWCUBJAB-LURJTMIESA-N 0 0 184.201 2.736 10 0 AFAERN C[C@H]1OC=Cc2ccccc21 20983121 571741529 /nfs/dbraw/zinc/74/15/29/571741529.db2.gz WHGBNFULEZIUEW-MRVPVSSYSA-N 0 0 146.189 2.749 10 0 AFAERN O[C@@H](CCC(F)(F)F)C1CCCC1 70915618 571741638 /nfs/dbraw/zinc/74/16/38/571741638.db2.gz YXRMSLUAQJPRJG-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN CCCC(=O)CCC(F)(F)F 70915080 571741724 /nfs/dbraw/zinc/74/17/24/571741724.db2.gz NSZIJGOAWMNSRE-UHFFFAOYSA-N 0 0 168.158 2.698 10 0 AFAERN O[C@@H](CCC(F)(F)F)c1ccco1 70915804 571741727 /nfs/dbraw/zinc/74/17/27/571741727.db2.gz DITJHYFGMXQSJI-LURJTMIESA-N 0 0 194.152 2.656 10 0 AFAERN C[C@@H](O)/C=C\c1ccc2ccccc2n1 12410570 571741808 /nfs/dbraw/zinc/74/18/08/571741808.db2.gz ADKSCVCKVNMDDX-BJPMOSCESA-N 0 0 199.253 2.629 10 0 AFAERN C[C@](O)(CCC1CC1)C1CCC1 393414591 571741825 /nfs/dbraw/zinc/74/18/25/571741825.db2.gz KMHJQOGMBUXCMX-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CCCN(C)c1nc(CC)cs1 393335270 571741869 /nfs/dbraw/zinc/74/18/69/571741869.db2.gz BVGLXMWNVUIHQV-UHFFFAOYSA-N 0 0 184.308 2.552 10 0 AFAERN c1csc(N[C@H]2C[C@H]3CC[C@@H]2C3)n1 70711072 571741871 /nfs/dbraw/zinc/74/18/71/571741871.db2.gz SIYYQOCWMGCURG-YIZRAAEISA-N 0 0 194.303 2.744 10 0 AFAERN CC(=O)c1ccc2c(c1)C[C@@H](C)C2 196069187 571741986 /nfs/dbraw/zinc/74/19/86/571741986.db2.gz LPDFTXNZIYNFIC-QMMMGPOBSA-N 0 0 174.243 2.624 10 0 AFAERN c1ccn([C@H]2C[C@H]3CC[C@@H]2C3)c1 70711195 571742130 /nfs/dbraw/zinc/74/21/30/571742130.db2.gz MVPAUPOXVOUTOR-AXFHLTTASA-N 0 0 161.248 2.849 10 0 AFAERN CC[C@H](C)[C@H](O)CCC(F)(F)F 70915904 571742134 /nfs/dbraw/zinc/74/21/34/571742134.db2.gz FTIHXVFLBBTVSA-NKWVEPMBSA-N 0 0 184.201 2.736 10 0 AFAERN CC(C)C[C@H](O)CCC(F)(F)F 70915480 571742182 /nfs/dbraw/zinc/74/21/82/571742182.db2.gz WFURKHCOXAQCCK-SSDOTTSWSA-N 0 0 184.201 2.736 10 0 AFAERN CC[C@H](C)C(=O)CCC(F)(F)F 70915253 571742264 /nfs/dbraw/zinc/74/22/64/571742264.db2.gz CONMWKGXVWHICU-LURJTMIESA-N 0 0 182.185 2.944 10 0 AFAERN Nc1ccccc1/C=C/c1ccncc1 13222994 571742318 /nfs/dbraw/zinc/74/23/18/571742318.db2.gz MDZZMOKJIZRGNJ-AATRIKPKSA-N 0 0 196.253 2.834 10 0 AFAERN CC(C)C[C@@H](O)CCC(F)(F)F 70915483 571742324 /nfs/dbraw/zinc/74/23/24/571742324.db2.gz WFURKHCOXAQCCK-ZETCQYMHSA-N 0 0 184.201 2.736 10 0 AFAERN CC[C@H](C)[C@@H](O)CCC(F)(F)F 70915909 571742342 /nfs/dbraw/zinc/74/23/42/571742342.db2.gz FTIHXVFLBBTVSA-BQBZGAKWSA-N 0 0 184.201 2.736 10 0 AFAERN CCCc1ccc(O)cc1OCC 168815322 571742457 /nfs/dbraw/zinc/74/24/57/571742457.db2.gz HCWWKRVGGMIHST-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN S=c1[nH]ccn1[C@H]1C[C@H]2CC[C@@H]1C2 70711138 571742478 /nfs/dbraw/zinc/74/24/78/571742478.db2.gz JNVQJCSBYLFEKL-YIZRAAEISA-N 0 0 194.303 2.907 10 0 AFAERN Clc1cc2c(cn1)[C@@H]1C=C[C@H]2C1 196077001 571742480 /nfs/dbraw/zinc/74/24/80/571742480.db2.gz WVNPEEXTPHOPFD-NKWVEPMBSA-N 0 0 177.634 2.876 10 0 AFAERN CC[C@@H](C)[C@@H](O)CCC(F)(F)F 70915905 571742505 /nfs/dbraw/zinc/74/25/05/571742505.db2.gz FTIHXVFLBBTVSA-RQJHMYQMSA-N 0 0 184.201 2.736 10 0 AFAERN O[C@H](CCC(F)(F)F)c1ccco1 70915797 571742572 /nfs/dbraw/zinc/74/25/72/571742572.db2.gz DITJHYFGMXQSJI-ZCFIWIBFSA-N 0 0 194.152 2.656 10 0 AFAERN O=C(CCC(F)(F)F)c1ccoc1 70915279 571742678 /nfs/dbraw/zinc/74/26/78/571742678.db2.gz GKFBCEUTRSZYAM-UHFFFAOYSA-N 0 0 192.136 2.805 10 0 AFAERN CC(C)(C)C(=O)CCC(F)(F)F 70915091 571742719 /nfs/dbraw/zinc/74/27/19/571742719.db2.gz IJDVSCUZLPFKFG-UHFFFAOYSA-N 0 0 182.185 2.944 10 0 AFAERN CC(=O)c1ccc2c(c1)C[C@H](C)C2 196069178 571742781 /nfs/dbraw/zinc/74/27/81/571742781.db2.gz LPDFTXNZIYNFIC-MRVPVSSYSA-N 0 0 174.243 2.624 10 0 AFAERN CC[C@@H](C)C(=O)CCC(F)(F)F 70915249 571742784 /nfs/dbraw/zinc/74/27/84/571742784.db2.gz CONMWKGXVWHICU-ZCFIWIBFSA-N 0 0 182.185 2.944 10 0 AFAERN OC[C@@]12CCC[C@@H](C1)C1=CCC[C@@H]12 196070546 571742787 /nfs/dbraw/zinc/74/27/87/571742787.db2.gz PJTKBIHQQUVYSR-ZMLRMANQSA-N 0 0 178.275 2.505 10 0 AFAERN CC(C)Cn1cccc(C=O)c1=S 196077526 571742906 /nfs/dbraw/zinc/74/29/06/571742906.db2.gz VPSFDRAYBPMZAS-UHFFFAOYSA-N 0 0 195.287 2.686 10 0 AFAERN CCCC[C@H](O)CCC(F)(F)F 70917357 571742946 /nfs/dbraw/zinc/74/29/46/571742946.db2.gz WMRPEJZNZBJIPW-ZETCQYMHSA-N 0 0 184.201 2.880 10 0 AFAERN CC(C)CC(=O)CCC(F)(F)F 70915051 571743094 /nfs/dbraw/zinc/74/30/94/571743094.db2.gz SJJZISCPOAYYHL-UHFFFAOYSA-N 0 0 182.185 2.944 10 0 AFAERN CC(C)(C)[C@@H]1NC(=O)c2ccccc21 196071013 571743157 /nfs/dbraw/zinc/74/31/57/571743157.db2.gz OWXLPLJHOQSUCX-SNVBAGLBSA-N 0 0 189.258 2.517 10 0 AFAERN O=Cc1cccn1[C@@H]1C[C@H]2CC[C@@H]1C2 70711186 571743194 /nfs/dbraw/zinc/74/31/94/571743194.db2.gz XJNWEQLIHCHHIV-HOSYDEDBSA-N 0 0 189.258 2.662 10 0 AFAERN CC[C@@H](C)[C@H](O)CCC(F)(F)F 70915899 571743296 /nfs/dbraw/zinc/74/32/96/571743296.db2.gz FTIHXVFLBBTVSA-RNFRBKRXSA-N 0 0 184.201 2.736 10 0 AFAERN O[C@@H](CCC(F)(F)F)c1ccoc1 70915937 571743372 /nfs/dbraw/zinc/74/33/72/571743372.db2.gz SVYOJYHIUAVZES-ZETCQYMHSA-N 0 0 194.152 2.656 10 0 AFAERN O[C@@H]1CCCCCCCCC[C@@H]2O[C@@H]21 196072197 571743389 /nfs/dbraw/zinc/74/33/89/571743389.db2.gz QBOBVOACZNCACE-GRYCIOLGSA-N 0 0 198.306 2.639 10 0 AFAERN C[C@@](O)(CCC1CC1)C1CCC1 393414590 571743425 /nfs/dbraw/zinc/74/34/25/571743425.db2.gz KMHJQOGMBUXCMX-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN O[C@H](c1ccc2ncccc2c1)C1CC1 70735955 571745011 /nfs/dbraw/zinc/74/50/11/571745011.db2.gz ZXFYFJCIOYMLPU-ZDUSSCGKSA-N 0 0 199.253 2.678 10 0 AFAERN CC(C)(C)[C@H](O)CCC(F)(F)F 70915579 571743517 /nfs/dbraw/zinc/74/35/17/571743517.db2.gz ZADBPZNWCUBJAB-ZCFIWIBFSA-N 0 0 184.201 2.736 10 0 AFAERN CC(C)[C@](C)(O)CCC(F)(F)F 70916904 571743595 /nfs/dbraw/zinc/74/35/95/571743595.db2.gz TWBSDHGWGPBBMK-SSDOTTSWSA-N 0 0 184.201 2.736 10 0 AFAERN O=Cc1cccn1[C@H]1C[C@H]2CC[C@@H]1C2 70711187 571743609 /nfs/dbraw/zinc/74/36/09/571743609.db2.gz XJNWEQLIHCHHIV-UMNHJUIQSA-N 0 0 189.258 2.662 10 0 AFAERN C/C(=C\C(C)C)[C@@H](O)C(C)C 140794184 571745084 /nfs/dbraw/zinc/74/50/84/571745084.db2.gz YMVOHCUHDIMJLY-ZKXNXJMVSA-N 0 0 156.269 2.606 10 0 AFAERN CCC(=O)c1c(C)cccc1OC 196070543 571743736 /nfs/dbraw/zinc/74/37/36/571743736.db2.gz SEWFRTZUBXOFPM-UHFFFAOYSA-N 0 0 178.231 2.596 10 0 AFAERN Cc1ccc2ccc(C=O)c(O)c2c1 196071710 571743843 /nfs/dbraw/zinc/74/38/43/571743843.db2.gz BFBLUUBCQRISAG-UHFFFAOYSA-N 0 0 186.210 2.666 10 0 AFAERN Cc1cc2c(o1)SCCC[C@@H]2O 196072976 571743846 /nfs/dbraw/zinc/74/38/46/571743846.db2.gz OPWGIHOCHIGAAD-QMMMGPOBSA-N 0 0 184.260 2.507 10 0 AFAERN CCCCC(=O)OCC1(CC)CC1 393415301 571743855 /nfs/dbraw/zinc/74/38/55/571743855.db2.gz AGPZIHPNBUBHHT-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN CC(C)(C)[C@H]1NC(=O)c2ccccc21 196071001 571743857 /nfs/dbraw/zinc/74/38/57/571743857.db2.gz OWXLPLJHOQSUCX-JTQLQIEISA-N 0 0 189.258 2.517 10 0 AFAERN O[C@@H](c1nccc2ccccc12)C1CC1 70735982 571744070 /nfs/dbraw/zinc/74/40/70/571744070.db2.gz FFUOCKOLALYCLC-CYBMUJFWSA-N 0 0 199.253 2.678 10 0 AFAERN Cc1cc2c(o1)SCCC[C@H]2O 196072990 571744191 /nfs/dbraw/zinc/74/41/91/571744191.db2.gz OPWGIHOCHIGAAD-MRVPVSSYSA-N 0 0 184.260 2.507 10 0 AFAERN CC(C)C/C=C/C[C@@H](C(N)=O)C(C)C 214301384 571744197 /nfs/dbraw/zinc/74/41/97/571744197.db2.gz IOBUGJONHGURAH-MVIFTORASA-N 0 0 197.322 2.736 10 0 AFAERN CCOc1cccc([C@@H](O)C2CC2)c1 70735855 571744393 /nfs/dbraw/zinc/74/43/93/571744393.db2.gz ILVBRACYTPPZNC-LBPRGKRZSA-N 0 0 192.258 2.529 10 0 AFAERN c1nc(COCC2CCCCC2)c[nH]1 13560956 571744399 /nfs/dbraw/zinc/74/43/99/571744399.db2.gz BTSLQMUTBBEQGU-UHFFFAOYSA-N 0 0 194.278 2.507 10 0 AFAERN CC(C)C/C=C\C[C@@H](C(N)=O)C(C)C 214301323 571744832 /nfs/dbraw/zinc/74/48/32/571744832.db2.gz IOBUGJONHGURAH-ISALQUGTSA-N 0 0 197.322 2.736 10 0 AFAERN CC[C@@H](C)C(=O)OCC1(CC)CC1 393420277 571745445 /nfs/dbraw/zinc/74/54/45/571745445.db2.gz ACHYUHCNSCSUFE-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)CCCC(=O)[C@H]1CC[C@H](C)O1 229452720 571745470 /nfs/dbraw/zinc/74/54/70/571745470.db2.gz DZCTXNGKLVNPKB-CMPLNLGQSA-N 0 0 198.306 2.949 10 0 AFAERN CCOc1cccc([C@H](O)C2CC2)c1 70735853 571745896 /nfs/dbraw/zinc/74/58/96/571745896.db2.gz ILVBRACYTPPZNC-GFCCVEGCSA-N 0 0 192.258 2.529 10 0 AFAERN O[C@H](c1nccc2ccccc12)C1CC1 70735984 571746187 /nfs/dbraw/zinc/74/61/87/571746187.db2.gz FFUOCKOLALYCLC-ZDUSSCGKSA-N 0 0 199.253 2.678 10 0 AFAERN CS/C(Cl)=C\Cl 140807611 571746271 /nfs/dbraw/zinc/74/62/71/571746271.db2.gz BVKOVWDAJMWBTI-IHWYPQMZSA-N 0 0 143.038 2.626 10 0 AFAERN COC(=O)Nc1ccc(Cl)s1 141049379 571746412 /nfs/dbraw/zinc/74/64/12/571746412.db2.gz XKKFNUZFIXNPEL-UHFFFAOYSA-N 0 0 191.639 2.580 10 0 AFAERN CCCC(=O)CCc1ccoc1 70739509 571748192 /nfs/dbraw/zinc/74/81/92/571748192.db2.gz XQRJIJCMKVMYKF-UHFFFAOYSA-N 0 0 166.220 2.581 10 0 AFAERN O=C(CCCC1CCOCC1)C1CC1 70739748 571747008 /nfs/dbraw/zinc/74/70/08/571747008.db2.gz OFIVCDCAOWVHNN-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN CC(=O)CCCc1cccc(F)c1F 70738679 571747203 /nfs/dbraw/zinc/74/72/03/571747203.db2.gz FLRCQSLWYGQZCD-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN COCCCCCC(=O)C(C)(C)C 70740079 571747210 /nfs/dbraw/zinc/74/72/10/571747210.db2.gz ROJISYOVZSUSOH-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC(=O)CCCc1cc(F)ccc1F 70738693 571747314 /nfs/dbraw/zinc/74/73/14/571747314.db2.gz LTXQZKMNVRNTPL-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN CCC(=O)CCc1cc(F)cc(F)c1 70739156 571747323 /nfs/dbraw/zinc/74/73/23/571747323.db2.gz STLJSLANSCCVSA-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN CC(C)(C)C(=O)CCC[C@H]1CCCO1 70740063 571747361 /nfs/dbraw/zinc/74/73/61/571747361.db2.gz ANNPOOXTBLFXKA-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN C[C@@H](O)[C@H]1CCC=CCCC1 140886275 571747397 /nfs/dbraw/zinc/74/73/97/571747397.db2.gz GIAIXZMGKVLFKK-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CCC(=O)CCCC1CCOCC1 70739066 571747408 /nfs/dbraw/zinc/74/74/08/571747408.db2.gz RFDOLCAIAQMCNW-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCCC(=O)CCC[C@H]1CCCO1 70739427 571747419 /nfs/dbraw/zinc/74/74/19/571747419.db2.gz VUMXHSJBONGLJF-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CCC(=O)Oc1ccccc1SC 13782096 571747430 /nfs/dbraw/zinc/74/74/30/571747430.db2.gz GPMUKPODHRIQSB-UHFFFAOYSA-N 0 0 196.271 2.724 10 0 AFAERN CC[C@H](O)[C@@H]1[C@H]2CC[C@H](C2)C1(C)C 1006221 571747602 /nfs/dbraw/zinc/74/76/02/571747602.db2.gz KRNBCGJRVQDZBV-VLEAKVRGSA-N 0 0 182.307 2.830 10 0 AFAERN CC[C@@H](C)CC(=O)Cc1cncs1 229465263 571747686 /nfs/dbraw/zinc/74/76/86/571747686.db2.gz RBCPQGYMKNPTQU-MRVPVSSYSA-N 0 0 197.303 2.691 10 0 AFAERN CC(C)(C)C(=O)CCc1ccoc1 70740100 571747691 /nfs/dbraw/zinc/74/76/91/571747691.db2.gz YKLIKKQQEXVYML-UHFFFAOYSA-N 0 0 180.247 2.827 10 0 AFAERN CC(=O)CCCc1ccc(F)cc1F 70738709 571747703 /nfs/dbraw/zinc/74/77/03/571747703.db2.gz YUEIKUDNWFKAGK-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN CCCSc1ccc(C=O)cc1O 214312540 571747823 /nfs/dbraw/zinc/74/78/23/571747823.db2.gz CPIJEOOEKLAVSB-UHFFFAOYSA-N 0 0 196.271 2.707 10 0 AFAERN CCCC1CC=CC1 140805544 571747918 /nfs/dbraw/zinc/74/79/18/571747918.db2.gz CUADAVWSZMYUFJ-UHFFFAOYSA-N 0 0 110.200 2.753 10 0 AFAERN CC(C)C(=O)CCC[C@@H]1CCCO1 70739661 571747933 /nfs/dbraw/zinc/74/79/33/571747933.db2.gz YXBOBHPWYXRCIL-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN c1ccc2c(c1)C[C@@H]1CCCCN21 141093553 571747976 /nfs/dbraw/zinc/74/79/76/571747976.db2.gz IIBICGUGXWEGTL-NSHDSACASA-N 0 0 173.259 2.602 10 0 AFAERN CC(C)C(=O)CCCC1CCOCC1 70739536 571748040 /nfs/dbraw/zinc/74/80/40/571748040.db2.gz LMABVXKCXHOCQC-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCCC(=O)CCc1ccc(C)nc1 70739520 571748230 /nfs/dbraw/zinc/74/82/30/571748230.db2.gz QPCSHWXQFCSXPY-UHFFFAOYSA-N 0 0 191.274 2.692 10 0 AFAERN COCCC[C@@H]1CCCCC(=O)C1 70740512 571748264 /nfs/dbraw/zinc/74/82/64/571748264.db2.gz HXBBDKPDCRVNAQ-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN CCC(=O)CCc1c(F)cccc1F 70739111 571748276 /nfs/dbraw/zinc/74/82/76/571748276.db2.gz LCBXSRHWLBGWMU-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN COCCC[C@H]1CCCCC(=O)C1 70740515 571748313 /nfs/dbraw/zinc/74/83/13/571748313.db2.gz HXBBDKPDCRVNAQ-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CCSc1ccccc1OC(C)=O 13782076 571748389 /nfs/dbraw/zinc/74/83/89/571748389.db2.gz BJEWGFCRXDKUQU-UHFFFAOYSA-N 0 0 196.271 2.724 10 0 AFAERN CCCC(=O)CCC[C@@H]1CCCO1 70739425 571748408 /nfs/dbraw/zinc/74/84/08/571748408.db2.gz VUMXHSJBONGLJF-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)C(=O)CCC[C@H]1CCCO1 70739663 571748529 /nfs/dbraw/zinc/74/85/29/571748529.db2.gz YXBOBHPWYXRCIL-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)CCc1ccc(F)c(F)c1 70739245 571748756 /nfs/dbraw/zinc/74/87/56/571748756.db2.gz HHFNXFXLEAWHNY-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN CCCC(=O)CCc1cncc(F)c1 70739309 571748804 /nfs/dbraw/zinc/74/88/04/571748804.db2.gz RPBBJQWCKHAMKR-UHFFFAOYSA-N 0 0 195.237 2.523 10 0 AFAERN CC[C@@H](C)Oc1cc(C)c(F)cc1N 233854188 571748948 /nfs/dbraw/zinc/74/89/48/571748948.db2.gz BARFFFALCKAIJQ-MRVPVSSYSA-N 0 0 197.253 2.894 10 0 AFAERN CCCC(=O)CCCC1CCOCC1 70739290 571749055 /nfs/dbraw/zinc/74/90/55/571749055.db2.gz JPURYXALDAYRFZ-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CC(C)(C)C(=O)CCC[C@@H]1CCCO1 70740060 571749079 /nfs/dbraw/zinc/74/90/79/571749079.db2.gz ANNPOOXTBLFXKA-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1ccc(CCC(=O)C(C)C)cn1 70739738 571749190 /nfs/dbraw/zinc/74/91/90/571749190.db2.gz QWZWTJJYUUAGNZ-UHFFFAOYSA-N 0 0 191.274 2.548 10 0 AFAERN CC[C@H](C)C[C@@H](C)C[C@@H](C)O 38218581 571749487 /nfs/dbraw/zinc/74/94/87/571749487.db2.gz OVVDTMHBELPPCQ-IVZWLZJFSA-N 0 0 158.285 2.830 10 0 AFAERN C/C=C\[C@H](O)c1ccsc1C 38246844 571749507 /nfs/dbraw/zinc/74/95/07/571749507.db2.gz PEORLUTVZHGUFX-TYRPZCRBSA-N 0 0 168.261 2.666 10 0 AFAERN CC[C@@H](C)C[C@H](C)C[C@@H](C)O 38218582 571751144 /nfs/dbraw/zinc/75/11/44/571751144.db2.gz OVVDTMHBELPPCQ-KXUCPTDWSA-N 0 0 158.285 2.830 10 0 AFAERN Cc1ccc([C@]2(C)C=C[C@@H](O)C2)cc1 138836609 571751147 /nfs/dbraw/zinc/75/11/47/571751147.db2.gz HNFNLMHKSLXNTL-CHWSQXEVSA-N 0 0 188.270 2.574 10 0 AFAERN CC[C@H](C)C[C@H](C)C[C@@H](C)O 38218583 571751154 /nfs/dbraw/zinc/75/11/54/571751154.db2.gz OVVDTMHBELPPCQ-LPEHRKFASA-N 0 0 158.285 2.830 10 0 AFAERN CC1=C[C@@H](C)CCC(=O)CC1 204981823 571751137 /nfs/dbraw/zinc/75/11/37/571751137.db2.gz MZEKGIJRNLSVID-QMMMGPOBSA-N 0 0 152.237 2.712 10 0 AFAERN CC[C@@H](C)C(=O)CCCC/C=C/CO 214393192 571750267 /nfs/dbraw/zinc/75/02/67/571750267.db2.gz VTQMBGJSOIVIJT-LXSSAFMLSA-N 0 0 198.306 2.711 10 0 AFAERN C=Cc1c(O)ccc2ncccc12 138840349 571750430 /nfs/dbraw/zinc/75/04/30/571750430.db2.gz HYYNEYJQUQVYTR-UHFFFAOYSA-N 0 0 171.199 2.583 10 0 AFAERN C/C=C\[C@](C)(O)CCC(C)C 17457126 571760323 /nfs/dbraw/zinc/76/03/23/571760323.db2.gz DQOLZBHQMVWYNJ-BXKUYDPTSA-N 0 0 156.269 2.750 10 0 AFAERN CC(=O)c1cc(C)c(Cl)c(O)c1 214393040 571750677 /nfs/dbraw/zinc/75/06/77/571750677.db2.gz LCQIJFFEXDTSTQ-UHFFFAOYSA-N 0 0 184.622 2.557 10 0 AFAERN NC(=O)Oc1ccc2ccccc2c1 25503069 571751116 /nfs/dbraw/zinc/75/11/16/571751116.db2.gz ZCQPYIDWQYERKC-UHFFFAOYSA-N 0 0 187.198 2.711 10 0 AFAERN C/C=C\[C@@H](O)c1ccsc1C 38246845 571751184 /nfs/dbraw/zinc/75/11/84/571751184.db2.gz PEORLUTVZHGUFX-ZBJFTSOASA-N 0 0 168.261 2.666 10 0 AFAERN CC(C)CCC/C(Cl)=C/CO 38220570 571751354 /nfs/dbraw/zinc/75/13/54/571751354.db2.gz GDAXIGPTACNWNY-TWGQIWQCSA-N 0 0 176.687 2.928 10 0 AFAERN Cc1cccc(CCC[C@H](C)O)c1 70770770 571754003 /nfs/dbraw/zinc/75/40/03/571754003.db2.gz RJTGZHLPZFFCQD-NSHDSACASA-N 0 0 178.275 2.699 10 0 AFAERN CC1=C[C@H](C)CCC(=O)CC1 204981788 571751691 /nfs/dbraw/zinc/75/16/91/571751691.db2.gz MZEKGIJRNLSVID-MRVPVSSYSA-N 0 0 152.237 2.712 10 0 AFAERN Cc1ccc([C@]2(C)C=C[C@H](O)C2)cc1 138836841 571751772 /nfs/dbraw/zinc/75/17/72/571751772.db2.gz HNFNLMHKSLXNTL-QWHCGFSZSA-N 0 0 188.270 2.574 10 0 AFAERN Cc1cc(C)cc(CCCCO)c1 70769959 571751808 /nfs/dbraw/zinc/75/18/08/571751808.db2.gz IDKIKDUWZZAPTH-UHFFFAOYSA-N 0 0 178.275 2.618 10 0 AFAERN CC[C@@H](C)C(=O)CCCC/C=C\CO 214393134 571751888 /nfs/dbraw/zinc/75/18/88/571751888.db2.gz VTQMBGJSOIVIJT-BPOWMSRESA-N 0 0 198.306 2.711 10 0 AFAERN CC(=O)c1cc(O)c(Cl)cc1C 214392963 571751962 /nfs/dbraw/zinc/75/19/62/571751962.db2.gz DXGWGJFOQHVDCX-UHFFFAOYSA-N 0 0 184.622 2.557 10 0 AFAERN CC[C@H]1CCC[C@@H](CCCO)C1 70769981 571752087 /nfs/dbraw/zinc/75/20/87/571752087.db2.gz LODAQNNGLQZNDK-QWRGUYRKSA-N 0 0 170.296 2.975 10 0 AFAERN O[C@H]1CC[C@H]2CCCCC=C[C@H]12 38220430 571752194 /nfs/dbraw/zinc/75/21/94/571752194.db2.gz QMESPXZGFXBRDI-VWYCJHECSA-N 0 0 166.264 2.504 10 0 AFAERN C[C@@H](O)CCCc1ccc(F)cc1 70770465 571752254 /nfs/dbraw/zinc/75/22/54/571752254.db2.gz DLDMZPLMRBSKKQ-SECBINFHSA-N 0 0 182.238 2.529 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1CCCO 70770087 571752297 /nfs/dbraw/zinc/75/22/97/571752297.db2.gz GXZZYWUNFNGOLB-GHMZBOCLSA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@H]1CCC[C@H](CCCO)C1 70769975 571752298 /nfs/dbraw/zinc/75/22/98/571752298.db2.gz LODAQNNGLQZNDK-WDEREUQCSA-N 0 0 170.296 2.975 10 0 AFAERN CCOC(=O)/C(=C\F)c1ccccc1 141135610 571752389 /nfs/dbraw/zinc/75/23/89/571752389.db2.gz UCQPNQIFIOMMMT-NTMALXAHSA-N 0 0 194.205 2.560 10 0 AFAERN CC[C@H](O)CCC/C=C1\CCC(=O)C1 13905376 571752393 /nfs/dbraw/zinc/75/23/93/571752393.db2.gz DQDSQLCPBVLGTK-UAWPZABVSA-N 0 0 196.290 2.607 10 0 AFAERN C[C@@H](O)CCCc1cccc(F)c1 70770258 571752452 /nfs/dbraw/zinc/75/24/52/571752452.db2.gz SYXNLGJCLHQRRF-SECBINFHSA-N 0 0 182.238 2.529 10 0 AFAERN C[C@@H](O)CCCCc1cccs1 70770530 571752501 /nfs/dbraw/zinc/75/25/01/571752501.db2.gz RXDVIRNVBBAHFH-SECBINFHSA-N 0 0 184.304 2.842 10 0 AFAERN CC[C@H](C)C(=O)CCCC/C=C\CO 214393244 571752558 /nfs/dbraw/zinc/75/25/58/571752558.db2.gz VTQMBGJSOIVIJT-JYKYSHPRSA-N 0 0 198.306 2.711 10 0 AFAERN CC(=O)c1cc(O)cc(C)c1Cl 214393120 571752607 /nfs/dbraw/zinc/75/26/07/571752607.db2.gz YJTBJVFBOGHNFD-UHFFFAOYSA-N 0 0 184.622 2.557 10 0 AFAERN CCC[C@H](C)C[C@H]1CC[C@H](O)C1 70772824 571752646 /nfs/dbraw/zinc/75/26/46/571752646.db2.gz WTXZXQDTUGQVPX-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CCCc1ccc(CC[C@@H](C)O)cc1 70770188 571752658 /nfs/dbraw/zinc/75/26/58/571752658.db2.gz QEXSDZYGTKSDSO-LLVKDONJSA-N 0 0 192.302 2.953 10 0 AFAERN C[C@H](O)CCCCc1cccs1 70770527 571752673 /nfs/dbraw/zinc/75/26/73/571752673.db2.gz RXDVIRNVBBAHFH-VIFPVBQESA-N 0 0 184.304 2.842 10 0 AFAERN C[C@@H](O)CC[C@H]1CCC[C@@H](C)C1 70770231 571752721 /nfs/dbraw/zinc/75/27/21/571752721.db2.gz TUCGJWMCFMPTCY-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1ccc(CCC[C@@H](C)O)cc1 70770909 571752788 /nfs/dbraw/zinc/75/27/88/571752788.db2.gz POTTZVGYSFGQSM-LLVKDONJSA-N 0 0 192.302 2.953 10 0 AFAERN CC(=O)c1cc(O)c(C)c(Cl)c1 214392872 571752858 /nfs/dbraw/zinc/75/28/58/571752858.db2.gz LOQYTKQVSXGANJ-UHFFFAOYSA-N 0 0 184.622 2.557 10 0 AFAERN CC(C)C[C@H]1CC(=O)[C@@H](C)C1 205065102 571752886 /nfs/dbraw/zinc/75/28/86/571752886.db2.gz XFTQRMDOIVCQDX-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H](O)CCCCc1ccsc1 70770613 571752891 /nfs/dbraw/zinc/75/28/91/571752891.db2.gz CIWWFKMGQIOAIQ-VIFPVBQESA-N 0 0 184.304 2.842 10 0 AFAERN CC[C@@H]1CCC[C@@H](CCCO)C1 70769978 571752909 /nfs/dbraw/zinc/75/29/09/571752909.db2.gz LODAQNNGLQZNDK-MNOVXSKESA-N 0 0 170.296 2.975 10 0 AFAERN CC(=O)c1c(Cl)ccc(C)c1O 214393278 571752943 /nfs/dbraw/zinc/75/29/43/571752943.db2.gz OOQVODQDRNMBCI-UHFFFAOYSA-N 0 0 184.622 2.557 10 0 AFAERN CCc1ccc(CCCCO)s1 70770072 571752945 /nfs/dbraw/zinc/75/29/45/571752945.db2.gz UPWVIZAGZLHMCB-UHFFFAOYSA-N 0 0 184.304 2.626 10 0 AFAERN CC(C)C[C@@H]1CC(=O)[C@H](C)C1 205065047 571752953 /nfs/dbraw/zinc/75/29/53/571752953.db2.gz XFTQRMDOIVCQDX-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cc(C)ccc1N 234136994 571752999 /nfs/dbraw/zinc/75/29/99/571752999.db2.gz QUHZGGZCGKREDG-ONGXEEELSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cc(C)cc(N)c1 234136930 571753099 /nfs/dbraw/zinc/75/30/99/571753099.db2.gz ISZHMAYQOGZYRA-CABZTGNLSA-N 0 0 190.290 2.788 10 0 AFAERN CCCCCC1O[C@@H](C)[C@H](C)O1 38220509 571753127 /nfs/dbraw/zinc/75/31/27/571753127.db2.gz CMOJDAJROWMHLQ-IUCAKERBSA-N 0 0 172.268 2.717 10 0 endogenous,in-man AFAERN Cc1ccc([C@@]2(C)C=C[C@H](O)C2)cc1 138836726 571753229 /nfs/dbraw/zinc/75/32/29/571753229.db2.gz HNFNLMHKSLXNTL-STQMWFEESA-N 0 0 188.270 2.574 10 0 AFAERN C[C@H](O)CCCc1ccccc1F 70770543 571753249 /nfs/dbraw/zinc/75/32/49/571753249.db2.gz CTOHMYGGIFDTPF-VIFPVBQESA-N 0 0 182.238 2.529 10 0 AFAERN C[C@@H](O)CCCCC(C)(C)C 70770525 571753432 /nfs/dbraw/zinc/75/34/32/571753432.db2.gz LBCRKICULOAEHO-SECBINFHSA-N 0 0 158.285 2.974 10 0 AFAERN C[C@@H](O)CCCc1ccccc1F 70770548 571753547 /nfs/dbraw/zinc/75/35/47/571753547.db2.gz CTOHMYGGIFDTPF-SECBINFHSA-N 0 0 182.238 2.529 10 0 AFAERN CC[C@H]1CCCC[C@H]1CCCO 70770099 571753551 /nfs/dbraw/zinc/75/35/51/571753551.db2.gz GXZZYWUNFNGOLB-QWRGUYRKSA-N 0 0 170.296 2.975 10 0 AFAERN C[C@@H](O)CCCCc1ccsc1 70770617 571753558 /nfs/dbraw/zinc/75/35/58/571753558.db2.gz CIWWFKMGQIOAIQ-SECBINFHSA-N 0 0 184.304 2.842 10 0 AFAERN CCCCCC1O[C@H](C)[C@@H](C)O1 38220510 571753561 /nfs/dbraw/zinc/75/35/61/571753561.db2.gz CMOJDAJROWMHLQ-RKDXNWHRSA-N 0 0 172.268 2.717 10 0 endogenous,in-man AFAERN C[C@@H](O)CC[C@@H]1CCC[C@@H](C)C1 70770236 571753589 /nfs/dbraw/zinc/75/35/89/571753589.db2.gz TUCGJWMCFMPTCY-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)CCCCC(C)(C)C 70770523 571753637 /nfs/dbraw/zinc/75/36/37/571753637.db2.gz LBCRKICULOAEHO-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)C[C@@H]1CC[C@H](O)C1 70772818 571753700 /nfs/dbraw/zinc/75/37/00/571753700.db2.gz WTXZXQDTUGQVPX-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)CCCc1ccc(F)cc1 70770463 571753741 /nfs/dbraw/zinc/75/37/41/571753741.db2.gz DLDMZPLMRBSKKQ-VIFPVBQESA-N 0 0 182.238 2.529 10 0 AFAERN CC[C@@H](C)CC/C=C(\C)CO 113234060 571753892 /nfs/dbraw/zinc/75/38/92/571753892.db2.gz MHFQBYOFZQRRKR-YIXGCBLDSA-N 0 0 156.269 2.751 10 0 AFAERN CC[C@H]1CCCC[C@@H]1CCCO 70770090 571753970 /nfs/dbraw/zinc/75/39/70/571753970.db2.gz GXZZYWUNFNGOLB-WDEREUQCSA-N 0 0 170.296 2.975 10 0 AFAERN Cc1ccccc1CCC[C@H](C)O 70770849 571754006 /nfs/dbraw/zinc/75/40/06/571754006.db2.gz PEBJZOQMQHRPEZ-NSHDSACASA-N 0 0 178.275 2.699 10 0 AFAERN CC[C@@H]1CCCC[C@H]1CCCO 70770094 571754115 /nfs/dbraw/zinc/75/41/15/571754115.db2.gz GXZZYWUNFNGOLB-MNOVXSKESA-N 0 0 170.296 2.975 10 0 AFAERN CC(=O)CC/C=C/CCCC[C@@H](C)O 14449165 571754176 /nfs/dbraw/zinc/75/41/76/571754176.db2.gz OBWKBNXEXLTTJV-OGOUPESXSA-N 0 0 198.306 2.853 10 0 AFAERN Cc1cccc(CCC[C@@H](C)O)c1 70770767 571754191 /nfs/dbraw/zinc/75/41/91/571754191.db2.gz RJTGZHLPZFFCQD-LLVKDONJSA-N 0 0 178.275 2.699 10 0 AFAERN CCCc1ccc(CC[C@H](C)O)cc1 70770190 571754194 /nfs/dbraw/zinc/75/41/94/571754194.db2.gz QEXSDZYGTKSDSO-NSHDSACASA-N 0 0 192.302 2.953 10 0 AFAERN Cc1ccccc1CCC[C@@H](C)O 70770848 571754255 /nfs/dbraw/zinc/75/42/55/571754255.db2.gz PEBJZOQMQHRPEZ-LLVKDONJSA-N 0 0 178.275 2.699 10 0 AFAERN CCCCOC(=O)/C=C/C(C)(C)C 38312481 571754280 /nfs/dbraw/zinc/75/42/80/571754280.db2.gz APHYOIIHHAYPAU-BQYQJAHWSA-N 0 0 184.279 2.932 10 0 AFAERN C[C@H](O)CCCc1cccc(F)c1 70770255 571754317 /nfs/dbraw/zinc/75/43/17/571754317.db2.gz SYXNLGJCLHQRRF-VIFPVBQESA-N 0 0 182.238 2.529 10 0 AFAERN CCOCCCC[C@@H](O)C(C)(C)C 70779513 571755066 /nfs/dbraw/zinc/75/50/66/571755066.db2.gz ATRWQOUZWYBKIK-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CCc1ccc(CCC[C@H](C)O)cc1 70770912 571754364 /nfs/dbraw/zinc/75/43/64/571754364.db2.gz POTTZVGYSFGQSM-NSHDSACASA-N 0 0 192.302 2.953 10 0 AFAERN COc1c(C)cc(N)c(C)c1Cl 214435273 571754448 /nfs/dbraw/zinc/75/44/48/571754448.db2.gz LAHLLKKCDBYNOR-UHFFFAOYSA-N 0 0 185.654 2.548 10 0 AFAERN COC(C)(C)c1cc(F)cc(F)c1 205099774 571754456 /nfs/dbraw/zinc/75/44/56/571754456.db2.gz LYRDHCXYIXXPGW-UHFFFAOYSA-N 0 0 186.201 2.846 10 0 AFAERN CC[C@H](C)CC/C=C(\C)CO 113234062 571754511 /nfs/dbraw/zinc/75/45/11/571754511.db2.gz MHFQBYOFZQRRKR-HZAKCSEPSA-N 0 0 156.269 2.751 10 0 AFAERN Cc1ncnc(Nc2ccccc2)c1C 25494522 571754827 /nfs/dbraw/zinc/75/48/27/571754827.db2.gz OBKSYWXNTHJLQI-UHFFFAOYSA-N 0 0 199.257 2.837 10 0 AFAERN CC(C)(C)[C@@H](O)CCc1ccoc1 70780005 571754861 /nfs/dbraw/zinc/75/48/61/571754861.db2.gz DMWTZEQJPATFJJ-JTQLQIEISA-N 0 0 182.263 2.619 10 0 AFAERN C/C=C\OCCCCO/C=C\C 141301378 571754874 /nfs/dbraw/zinc/75/48/74/571754874.db2.gz YFHHXQIZUPLLTO-VHOZIDCHSA-N 0 0 170.252 2.867 10 0 AFAERN CC[C@H](O)CCCCC(C)C 70776926 571754915 /nfs/dbraw/zinc/75/49/15/571754915.db2.gz AHRWBIOTQRWBNW-JTQLQIEISA-N 0 0 158.285 2.974 10 0 AFAERN CCC/C=C/C(=O)OC(C)(C)C 38312333 571754925 /nfs/dbraw/zinc/75/49/25/571754925.db2.gz DZAWMCLRNISWMD-BQYQJAHWSA-N 0 0 170.252 2.684 10 0 AFAERN CC[C@@H](O)CCc1cc(C)ccc1F 70777062 571754979 /nfs/dbraw/zinc/75/49/79/571754979.db2.gz NPKAFIITIGPDRB-LLVKDONJSA-N 0 0 196.265 2.838 10 0 AFAERN CC[C@H](O)CCCc1ccc(F)cc1 70777230 571754985 /nfs/dbraw/zinc/75/49/85/571754985.db2.gz RSSCITULSQLCJR-LBPRGKRZSA-N 0 0 196.265 2.919 10 0 AFAERN CCC[C@@H](C)CC(=O)[C@H](C)OCC 70827801 571758232 /nfs/dbraw/zinc/75/82/32/571758232.db2.gz JSMJOQNGHQYPKN-ZJUUUORDSA-N 0 0 186.295 2.807 10 0 AFAERN CC[C@@H](C)CCC[C@H](O)C1CC1 70779177 571755021 /nfs/dbraw/zinc/75/50/21/571755021.db2.gz PUONXXNHRQWLIV-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1cc(N)ns1 233860783 571758237 /nfs/dbraw/zinc/75/82/37/571758237.db2.gz MCKGHOUSYQTHRW-RNFRBKRXSA-N 0 0 199.323 2.572 10 0 AFAERN COc1c(C)c(N)cc(C)c1Cl 214435189 571755157 /nfs/dbraw/zinc/75/51/57/571755157.db2.gz JQXUMWBTCYSGDJ-UHFFFAOYSA-N 0 0 185.654 2.548 10 0 AFAERN COc1cccc2c1[nH]c1cnccc12 14445273 571755163 /nfs/dbraw/zinc/75/51/63/571755163.db2.gz CIEVLKSHXKXRQR-UHFFFAOYSA-N 0 0 198.225 2.725 10 0 AFAERN CC[C@@H](C)CCC[C@H](O)CC 70777401 571755185 /nfs/dbraw/zinc/75/51/85/571755185.db2.gz UPCLEADWBUUJRX-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@@H](O)CCc1ccc(F)cc1C 70777202 571755222 /nfs/dbraw/zinc/75/52/22/571755222.db2.gz SCRIPCDMDBPNSV-GFCCVEGCSA-N 0 0 196.265 2.838 10 0 AFAERN CC[C@@H](O)CCCc1ccc(F)cc1 70777232 571755245 /nfs/dbraw/zinc/75/52/45/571755245.db2.gz RSSCITULSQLCJR-GFCCVEGCSA-N 0 0 196.265 2.919 10 0 AFAERN CC[C@H](O)CCC[C@H](C)CC 70777407 571755296 /nfs/dbraw/zinc/75/52/96/571755296.db2.gz UPCLEADWBUUJRX-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@H](O)CCc1ccc(F)cc1C 70777197 571755309 /nfs/dbraw/zinc/75/53/09/571755309.db2.gz SCRIPCDMDBPNSV-LBPRGKRZSA-N 0 0 196.265 2.838 10 0 AFAERN O[C@@H](CCC1CC1)c1ccccc1 70780243 571755343 /nfs/dbraw/zinc/75/53/43/571755343.db2.gz VNHZDHXDFDXMDQ-LBPRGKRZSA-N 0 0 176.259 2.910 10 0 AFAERN CC(=O)CCO[C@H](C)c1ccccc1 38301827 571755340 /nfs/dbraw/zinc/75/53/40/571755340.db2.gz IZNRHBLYQYBFJL-LLVKDONJSA-N 0 0 192.258 2.743 10 0 AFAERN CC(=O)CC/C=C/CCCC[C@H](C)O 14449167 571755429 /nfs/dbraw/zinc/75/54/29/571755429.db2.gz OBWKBNXEXLTTJV-PYEVWLCESA-N 0 0 198.306 2.853 10 0 AFAERN CC[C@H](C)CCC[C@H](O)CC 70777404 571755449 /nfs/dbraw/zinc/75/54/49/571755449.db2.gz UPCLEADWBUUJRX-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@@H](O)CCCc1ccccc1F 70777313 571755592 /nfs/dbraw/zinc/75/55/92/571755592.db2.gz QAEDRZKKAGZOHH-LLVKDONJSA-N 0 0 196.265 2.919 10 0 AFAERN CC[C@H](O)CCc1cc(C)ccc1F 70777059 571755716 /nfs/dbraw/zinc/75/57/16/571755716.db2.gz NPKAFIITIGPDRB-NSHDSACASA-N 0 0 196.265 2.838 10 0 AFAERN CC[C@@H](O)CCc1cc(F)ccc1C 70777435 571755866 /nfs/dbraw/zinc/75/58/66/571755866.db2.gz LOZKVAASZYGFAZ-GFCCVEGCSA-N 0 0 196.265 2.838 10 0 AFAERN CCCCCc1nc2cc[nH]cc-2n1 70801588 571755895 /nfs/dbraw/zinc/75/58/95/571755895.db2.gz GGFQYVYAJJCGTL-UHFFFAOYSA-N 0 0 189.262 2.691 10 0 AFAERN CC[C@H](C)CCC[C@@H](O)CC 70777410 571755994 /nfs/dbraw/zinc/75/59/94/571755994.db2.gz UPCLEADWBUUJRX-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@H](C)CCC[C@@H](O)C1CC1 70779188 571756031 /nfs/dbraw/zinc/75/60/31/571756031.db2.gz PUONXXNHRQWLIV-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](O)[C@H](C)c1ccco1 38276397 571756038 /nfs/dbraw/zinc/75/60/38/571756038.db2.gz NEBNSFYDUZSZQJ-IUCAKERBSA-N 0 0 168.236 2.544 10 0 AFAERN CC(C)C[C@@H]1CC(=O)[C@@H](C)C1 205065067 571756087 /nfs/dbraw/zinc/75/60/87/571756087.db2.gz XFTQRMDOIVCQDX-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN ONC(c1ccccc1)c1ccccc1 38352606 571756178 /nfs/dbraw/zinc/75/61/78/571756178.db2.gz DGZHLXZDNCLBRA-UHFFFAOYSA-N 0 0 199.253 2.755 10 0 AFAERN CC(C)=CCCC[C@H](C)CO 38415887 571756229 /nfs/dbraw/zinc/75/62/29/571756229.db2.gz WDMOCGRCBAICQG-JTQLQIEISA-N 0 0 156.269 2.751 10 0 AFAERN CC[C@@]1(O)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 38363319 571756248 /nfs/dbraw/zinc/75/62/48/571756248.db2.gz BYPKOASIGJWCPQ-IYKVGLELSA-N 0 0 180.291 2.584 10 0 AFAERN C/C=C\OCCCCO/C=C/C 141301528 571756285 /nfs/dbraw/zinc/75/62/85/571756285.db2.gz YFHHXQIZUPLLTO-KYPMKJFLSA-N 0 0 170.252 2.867 10 0 AFAERN Cc1ccc(-c2nc3cc[nH]cc-3n2)o1 70801560 571756352 /nfs/dbraw/zinc/75/63/52/571756352.db2.gz ZUACOSPAMVFWJK-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN O[C@H](CCC1CC1)c1ccccc1 70780239 571756398 /nfs/dbraw/zinc/75/63/98/571756398.db2.gz VNHZDHXDFDXMDQ-GFCCVEGCSA-N 0 0 176.259 2.910 10 0 AFAERN CC[C@@H](O)CCc1ccc(F)c(C)c1 70777341 571756400 /nfs/dbraw/zinc/75/64/00/571756400.db2.gz HGQPHLNFCUVGHO-LLVKDONJSA-N 0 0 196.265 2.838 10 0 AFAERN CC(C)CC[C@@H](O)C(C)(C)F 138889167 571756422 /nfs/dbraw/zinc/75/64/22/571756422.db2.gz YTZUHOYRFWCYAX-MRVPVSSYSA-N 0 0 162.248 2.532 10 0 AFAERN CC[C@H](O)[C@@H](C)Cc1ccc(F)cc1 70941803 571756506 /nfs/dbraw/zinc/75/65/06/571756506.db2.gz GWHKEPZJPDKNSP-CABZTGNLSA-N 0 0 196.265 2.775 10 0 AFAERN CCOCCCC[C@H](O)C(C)(C)C 70779506 571756580 /nfs/dbraw/zinc/75/65/80/571756580.db2.gz ATRWQOUZWYBKIK-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN C=CC1=CC[C@@H](C(=O)CC)CC1 138885275 571756654 /nfs/dbraw/zinc/75/66/54/571756654.db2.gz PODSPFLKQLOWPD-SNVBAGLBSA-N 0 0 164.248 2.878 10 0 AFAERN COCCCCC[C@@H](O)C(C)(C)C 70779817 571756675 /nfs/dbraw/zinc/75/66/75/571756675.db2.gz XADKIYZEAHGFMH-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN Cc1ccccc1/C=C/CCCO 214478673 571756694 /nfs/dbraw/zinc/75/66/94/571756694.db2.gz LUKOAOQYXJTWDO-FPYGCLRLSA-N 0 0 176.259 2.781 10 0 AFAERN CC(=O)CC(C)(C)CC(F)F 17412129 571761844 /nfs/dbraw/zinc/76/18/44/571761844.db2.gz PRAQZOXPJVPJGW-UHFFFAOYSA-N 0 0 164.195 2.647 10 0 AFAERN CC[C@@H](C)CCC[C@@H](O)C1CC1 70779184 571756741 /nfs/dbraw/zinc/75/67/41/571756741.db2.gz PUONXXNHRQWLIV-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)CCc1ccc(F)c(C)c1 70777339 571756763 /nfs/dbraw/zinc/75/67/63/571756763.db2.gz HGQPHLNFCUVGHO-NSHDSACASA-N 0 0 196.265 2.838 10 0 AFAERN CCC[C@H](C)CO[C@H](CC)[C@@H](C)O 141508516 571756896 /nfs/dbraw/zinc/75/68/96/571756896.db2.gz LLMHJAZNWCLFEK-HBNTYKKESA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](C)CCC[C@H](O)C1CC1 70779181 571756915 /nfs/dbraw/zinc/75/69/15/571756915.db2.gz PUONXXNHRQWLIV-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)(C)[C@H](O)CCc1ccoc1 70780001 571756927 /nfs/dbraw/zinc/75/69/27/571756927.db2.gz DMWTZEQJPATFJJ-SNVBAGLBSA-N 0 0 182.263 2.619 10 0 AFAERN c1ccc(CCNc2ccc[nH]2)cc1 214475189 571757018 /nfs/dbraw/zinc/75/70/18/571757018.db2.gz BYBPPCHAJULYQP-UHFFFAOYSA-N 0 0 186.258 2.669 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cc(F)ccc1N 234137606 571757034 /nfs/dbraw/zinc/75/70/34/571757034.db2.gz MPFWZRATINZXKX-XVKPBYJWSA-N 0 0 194.253 2.618 10 0 AFAERN CC[C@@H](O)CCCCC(C)C 70776928 571757056 /nfs/dbraw/zinc/75/70/56/571757056.db2.gz AHRWBIOTQRWBNW-SNVBAGLBSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@@H](O)[C@@H](C)Cc1ccc(F)cc1 70941804 571757083 /nfs/dbraw/zinc/75/70/83/571757083.db2.gz GWHKEPZJPDKNSP-JOYOIKCWSA-N 0 0 196.265 2.775 10 0 AFAERN CCC[C@H](C)CO[C@@H](CC)[C@@H](C)O 141508135 571757084 /nfs/dbraw/zinc/75/70/84/571757084.db2.gz LLMHJAZNWCLFEK-AXFHLTTASA-N 0 0 188.311 2.599 10 0 AFAERN Cc1ccoc1-c1nc2cc[nH]cc-2n1 70801618 571757139 /nfs/dbraw/zinc/75/71/39/571757139.db2.gz LMFQKWAJIWQEML-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN CC(C)CON[C@@H]1C[C@H]2CCCC[C@H]21 712421458 571757202 /nfs/dbraw/zinc/75/72/02/571757202.db2.gz RKXLQMKJIHGMJK-IJLUTSLNSA-N 0 0 197.322 2.742 10 0 AFAERN CC[C@@H](O)[C@H](C)Cc1ccc(F)cc1 70941806 571757215 /nfs/dbraw/zinc/75/72/15/571757215.db2.gz GWHKEPZJPDKNSP-BXKDBHETSA-N 0 0 196.265 2.775 10 0 AFAERN Cc1occc1-c1nc2cc[nH]cc-2n1 70801632 571757230 /nfs/dbraw/zinc/75/72/30/571757230.db2.gz NRYQUPVKGGGCPE-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN CCC(CC)N(C)CC(F)(F)F 687798768 571757233 /nfs/dbraw/zinc/75/72/33/571757233.db2.gz NZQYMJKPABFNPC-UHFFFAOYSA-N 0 0 183.217 2.669 10 0 AFAERN COCCCCC[C@H](O)C(C)(C)C 70779821 571757297 /nfs/dbraw/zinc/75/72/97/571757297.db2.gz XADKIYZEAHGFMH-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN Brc1cc2c(o1)CCC2 214467617 571757374 /nfs/dbraw/zinc/75/73/74/571757374.db2.gz WRTIIDCAHDTXSW-UHFFFAOYSA-N 0 0 187.036 2.531 10 0 AFAERN CC[C@H](O)CCc1cc(F)ccc1C 70777432 571757391 /nfs/dbraw/zinc/75/73/91/571757391.db2.gz LOZKVAASZYGFAZ-LBPRGKRZSA-N 0 0 196.265 2.838 10 0 AFAERN CC[C@H](O)[C@H](C)Cc1ccc(F)cc1 70941805 571757449 /nfs/dbraw/zinc/75/74/49/571757449.db2.gz GWHKEPZJPDKNSP-SKDRFNHKSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@H](O)CCCc1ccccc1F 70777310 571757599 /nfs/dbraw/zinc/75/75/99/571757599.db2.gz QAEDRZKKAGZOHH-NSHDSACASA-N 0 0 196.265 2.919 10 0 AFAERN CCc1cnn(-c2cccc(C)c2)c1 214458309 571757606 /nfs/dbraw/zinc/75/76/06/571757606.db2.gz ATRVUFXFGRYDBL-UHFFFAOYSA-N 0 0 186.258 2.743 10 0 AFAERN CCc1ccc(C)c(OC)c1 15205286 571757626 /nfs/dbraw/zinc/75/76/26/571757626.db2.gz WAYNUNMJUFLFJR-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN CC(C)CON[C@@H]1C[C@@H]2CCCC[C@H]21 712421459 571757697 /nfs/dbraw/zinc/75/76/97/571757697.db2.gz RKXLQMKJIHGMJK-QJPTWQEYSA-N 0 0 197.322 2.742 10 0 AFAERN CCC[C@@H](C)CO[C@H](CC)[C@@H](C)O 141508311 571757725 /nfs/dbraw/zinc/75/77/25/571757725.db2.gz LLMHJAZNWCLFEK-GMTAPVOTSA-N 0 0 188.311 2.599 10 0 AFAERN CCc1ccnn1-c1cccc(C)c1 214458391 571757763 /nfs/dbraw/zinc/75/77/63/571757763.db2.gz HJKOJZIYECAURO-UHFFFAOYSA-N 0 0 186.258 2.743 10 0 AFAERN CCc1ccnn1-c1ccc(C)cc1 214458238 571757861 /nfs/dbraw/zinc/75/78/61/571757861.db2.gz SWMXJXQYTCLNDZ-UHFFFAOYSA-N 0 0 186.258 2.743 10 0 AFAERN COc1cccc(C(C)C=O)c1 687798773 571758051 /nfs/dbraw/zinc/75/80/51/571758051.db2.gz LJTAGZAZWCGEEZ-FPLPWBNLSA-N 0 0 164.204 2.614 10 0 AFAERN CC[C@@H](C)Sc1ccc(N)c(N)c1 233864903 571758042 /nfs/dbraw/zinc/75/80/42/571758042.db2.gz WBPUJALQESYDLN-SSDOTTSWSA-N 0 0 196.319 2.742 10 0 AFAERN CC(C)CC[C@H](O)C(C)(C)F 138889085 571758085 /nfs/dbraw/zinc/75/80/85/571758085.db2.gz YTZUHOYRFWCYAX-QMMMGPOBSA-N 0 0 162.248 2.532 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cc(N)cc(F)c1 234137849 571758135 /nfs/dbraw/zinc/75/81/35/571758135.db2.gz DQBHSNXVRWJMII-CPCISQLKSA-N 0 0 194.253 2.618 10 0 AFAERN OC/C=C/C=C\C1=CCCCC1 214468498 571758225 /nfs/dbraw/zinc/75/82/25/571758225.db2.gz GRZSGXCDXKUOTB-FCLYREJYSA-N 0 0 164.248 2.592 10 0 AFAERN CC[C@@H](C)Nc1cccc(C=O)c1 233863600 571758362 /nfs/dbraw/zinc/75/83/62/571758362.db2.gz LMFSJMDWGUSMIU-SECBINFHSA-N 0 0 177.247 2.710 10 0 AFAERN Cc1nnc(/C=C\C2=CCCC2)o1 379357466 571758369 /nfs/dbraw/zinc/75/83/69/571758369.db2.gz RIPVHVHEXLJIGG-SREVYHEPSA-N 0 0 176.219 2.502 10 0 AFAERN CC(C)[C@@H]1C(=O)C2CCC1CC2 205114044 571758400 /nfs/dbraw/zinc/75/84/00/571758400.db2.gz JCIMXPHFZLCWHT-RTBKNWGFSA-N 0 0 166.264 2.648 10 0 AFAERN CCO[C@H](C)C(=O)C1CCCCC1 70827491 571758411 /nfs/dbraw/zinc/75/84/11/571758411.db2.gz DMGDIDCPMGONFA-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN O=Cc1sc2c(c1Cl)CCC2 214467273 571758515 /nfs/dbraw/zinc/75/85/15/571758515.db2.gz KPZWAJULSXWVGH-UHFFFAOYSA-N 0 0 186.663 2.703 10 0 AFAERN CCO[C@@H](C)C(=O)C1CCCCC1 70827487 571758717 /nfs/dbraw/zinc/75/87/17/571758717.db2.gz DMGDIDCPMGONFA-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN O=CC1CCCc2ccccc21 687798792 571758880 /nfs/dbraw/zinc/75/88/80/571758880.db2.gz QFBISJGLPDDYFK-CSKARUKUSA-N 0 0 160.216 2.922 10 0 AFAERN CCC[C@@H](C)CC(=O)[C@@H](C)OCC 70827793 571758892 /nfs/dbraw/zinc/75/88/92/571758892.db2.gz JSMJOQNGHQYPKN-NXEZZACHSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)[C@H]1C(=O)C2CCC1CC2 205114025 571758900 /nfs/dbraw/zinc/75/89/00/571758900.db2.gz JCIMXPHFZLCWHT-UDNWOFFPSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H](CO)[C@@H](C)Sc1ccccc1 14589094 571758943 /nfs/dbraw/zinc/75/89/43/571758943.db2.gz LIIIFURZMXIECR-NXEZZACHSA-N 0 0 196.315 2.796 10 0 AFAERN CC[C@@H](CCO)Sc1ccccc1 14589140 571758945 /nfs/dbraw/zinc/75/89/45/571758945.db2.gz WMUOXEYYYJJRII-JTQLQIEISA-N 0 0 196.315 2.940 10 0 AFAERN FC(F)(F)c1noc2ccccc12 141633551 571759083 /nfs/dbraw/zinc/75/90/83/571759083.db2.gz OOMPYIMJDFAOLS-UHFFFAOYSA-N 0 0 187.120 2.847 10 0 AFAERN CCCC[C@H](O)c1cccc(O)c1 14504295 571759183 /nfs/dbraw/zinc/75/91/83/571759183.db2.gz RUMUPMSZUNLFBX-NSHDSACASA-N 0 0 180.247 2.616 10 0 AFAERN Cc1cccc(/C=C/CCCO)c1 214479249 571759283 /nfs/dbraw/zinc/75/92/83/571759283.db2.gz OOFLSCURRPVWTC-XVNBXDOJSA-N 0 0 176.259 2.781 10 0 AFAERN CCO[C@H](C)C(=O)[C@H]1CCC[C@H](C)C1 70827890 571759287 /nfs/dbraw/zinc/75/92/87/571759287.db2.gz ZUODVVFTNGMBRU-AXFHLTTASA-N 0 0 198.306 2.807 10 0 AFAERN C[C@H](Sc1ccccc1)[C@H](C)CO 14589096 571759398 /nfs/dbraw/zinc/75/93/98/571759398.db2.gz LIIIFURZMXIECR-ZJUUUORDSA-N 0 0 196.315 2.796 10 0 AFAERN Oc1ccc(-c2ncc(Cl)o2)cc1 141606791 571759418 /nfs/dbraw/zinc/75/94/18/571759418.db2.gz CKMKDBPJHPRIOU-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN Cc1nccc2c1[nH]c1c(O)cccc12 14489342 571759424 /nfs/dbraw/zinc/75/94/24/571759424.db2.gz VXYUOAZLTSOXFI-UHFFFAOYSA-N 0 0 198.225 2.730 10 0 AFAERN CCO[C@H](C)C(=O)CCC(C)(C)C 70827619 571759458 /nfs/dbraw/zinc/75/94/58/571759458.db2.gz ZRFZWXBSJDLCAT-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN C[C@@H](CO)[C@H](C)Sc1ccccc1 14589095 571759460 /nfs/dbraw/zinc/75/94/60/571759460.db2.gz LIIIFURZMXIECR-UWVGGRQHSA-N 0 0 196.315 2.796 10 0 AFAERN CCC[C@@H](C)CO[C@@H](CC)[C@@H](C)O 141507926 571759528 /nfs/dbraw/zinc/75/95/28/571759528.db2.gz LLMHJAZNWCLFEK-MXWKQRLJSA-N 0 0 188.311 2.599 10 0 AFAERN C[C@@H](CO)[C@@H](C)Sc1ccccc1 14589093 571759582 /nfs/dbraw/zinc/75/95/82/571759582.db2.gz LIIIFURZMXIECR-VHSXEESVSA-N 0 0 196.315 2.796 10 0 AFAERN CCO[C@H](C)[C@@H](O)CCC(C)(C)C 70829020 571759633 /nfs/dbraw/zinc/75/96/33/571759633.db2.gz MWBOMMWCBBFVGO-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1cc(C)cnn1 233860511 571759693 /nfs/dbraw/zinc/75/96/93/571759693.db2.gz QJEBAYZAOZWZGG-NXEZZACHSA-N 0 0 193.294 2.632 10 0 AFAERN CC[C@H](CCO)Sc1ccccc1 14589141 571759703 /nfs/dbraw/zinc/75/97/03/571759703.db2.gz WMUOXEYYYJJRII-SNVBAGLBSA-N 0 0 196.315 2.940 10 0 AFAERN CCC[C@H](C)CC(=O)[C@@H](C)OCC 70827797 571759843 /nfs/dbraw/zinc/75/98/43/571759843.db2.gz JSMJOQNGHQYPKN-VHSXEESVSA-N 0 0 186.295 2.807 10 0 AFAERN CCCC[C@@H](O)c1cccc(O)c1 14504294 571759942 /nfs/dbraw/zinc/75/99/42/571759942.db2.gz RUMUPMSZUNLFBX-LLVKDONJSA-N 0 0 180.247 2.616 10 0 AFAERN CCO/C(=C/Cl)SCC 214472201 571759948 /nfs/dbraw/zinc/75/99/48/571759948.db2.gz BBLCGJXVLSLUDF-WAYWQWQTSA-N 0 0 166.673 2.814 10 0 AFAERN CCCCCC(=O)[C@H](C)OCC 70827764 571759970 /nfs/dbraw/zinc/75/99/70/571759970.db2.gz VRFHKPYUKXILIB-VIFPVBQESA-N 0 0 172.268 2.561 10 0 AFAERN CCO[C@@H](C)[C@@H](O)CCC(C)(C)C 70829019 571760039 /nfs/dbraw/zinc/76/00/39/571760039.db2.gz MWBOMMWCBBFVGO-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN CCO[C@@H](C)C(=O)c1cccc(C)c1 70828029 571760242 /nfs/dbraw/zinc/76/02/42/571760242.db2.gz CFTNSECEDBYRJR-JTQLQIEISA-N 0 0 192.258 2.603 10 0 AFAERN CCCCC/C=C\[C@H](O)CC 141660720 571760257 /nfs/dbraw/zinc/76/02/57/571760257.db2.gz SAKXXTFUGXDVPG-HSTULFTRSA-N 0 0 156.269 2.894 10 0 AFAERN CCO[C@H](C)C(=O)c1ccccc1C 70828088 571760290 /nfs/dbraw/zinc/76/02/90/571760290.db2.gz CHIBTKRVXIEGDU-SNVBAGLBSA-N 0 0 192.258 2.603 10 0 AFAERN CCCN(CC(F)(F)F)C(C)C 687798811 571760389 /nfs/dbraw/zinc/76/03/89/571760389.db2.gz UZXYFGRUPPWBQT-UHFFFAOYSA-N 0 0 183.217 2.669 10 0 AFAERN CCO[C@H](C)C(=O)c1cccc(C)c1 70828033 571760445 /nfs/dbraw/zinc/76/04/45/571760445.db2.gz CFTNSECEDBYRJR-SNVBAGLBSA-N 0 0 192.258 2.603 10 0 AFAERN CCC[C@H](C)CC(=O)[C@H](C)OCC 70827805 571760460 /nfs/dbraw/zinc/76/04/60/571760460.db2.gz JSMJOQNGHQYPKN-UWVGGRQHSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)C(C)(C)CC[C@@H](C)O 17545882 571760494 /nfs/dbraw/zinc/76/04/94/571760494.db2.gz IGLIMLZVUFCJFM-SECBINFHSA-N 0 0 158.285 2.830 10 0 AFAERN CCCCCC(=O)[C@@H](C)OCC 70827757 571760526 /nfs/dbraw/zinc/76/05/26/571760526.db2.gz VRFHKPYUKXILIB-SECBINFHSA-N 0 0 172.268 2.561 10 0 AFAERN CCO[C@H](C)C(=O)[C@@H]1CCC[C@H](C)C1 70827882 571760577 /nfs/dbraw/zinc/76/05/77/571760577.db2.gz ZUODVVFTNGMBRU-HBNTYKKESA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1cc(C)cnn1 233867128 571760739 /nfs/dbraw/zinc/76/07/39/571760739.db2.gz QJEBAYZAOZWZGG-ZJUUUORDSA-N 0 0 193.294 2.632 10 0 AFAERN CC(=O)CC(F)(F)CC(C)C 17412363 571760760 /nfs/dbraw/zinc/76/07/60/571760760.db2.gz UROCBWXMZLCSCY-UHFFFAOYSA-N 0 0 164.195 2.647 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ncccc1Cl 233866164 571760814 /nfs/dbraw/zinc/76/08/14/571760814.db2.gz QLPKCVKWKYBLNQ-XCBNKYQSSA-N 0 0 199.681 2.815 10 0 AFAERN CCO[C@@H](C)C(=O)c1ccccc1C 70828084 571760815 /nfs/dbraw/zinc/76/08/15/571760815.db2.gz CHIBTKRVXIEGDU-JTQLQIEISA-N 0 0 192.258 2.603 10 0 AFAERN CC(=O)C[C@@H](C)CC(F)(F)F 17408763 571760817 /nfs/dbraw/zinc/76/08/17/571760817.db2.gz BXSBXDFGTMGICZ-RXMQYKEDSA-N 0 0 168.158 2.554 10 0 AFAERN CCO[C@H](C)[C@H](O)CCC(C)(C)C 70829013 571761039 /nfs/dbraw/zinc/76/10/39/571761039.db2.gz MWBOMMWCBBFVGO-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)(C)CC(=O)C(F)(F)F 17403773 571761237 /nfs/dbraw/zinc/76/12/37/571761237.db2.gz MTOWKBREJSZSDI-UHFFFAOYSA-N 0 0 168.158 2.554 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1cc(N)ns1 233867322 571761242 /nfs/dbraw/zinc/76/12/42/571761242.db2.gz MCKGHOUSYQTHRW-RQJHMYQMSA-N 0 0 199.323 2.572 10 0 AFAERN CC[C@@H](C)[C@H](O)c1sc(C)nc1C 233866202 571761255 /nfs/dbraw/zinc/76/12/55/571761255.db2.gz KMJQBHIODPNMQN-MUWHJKNJSA-N 0 0 199.319 2.839 10 0 AFAERN CC(C)C(C)(C)CC[C@H](C)O 17545885 571761308 /nfs/dbraw/zinc/76/13/08/571761308.db2.gz IGLIMLZVUFCJFM-VIFPVBQESA-N 0 0 158.285 2.830 10 0 AFAERN C/C=C\CSc1cccc(CO)c1 220559881 571761412 /nfs/dbraw/zinc/76/14/12/571761412.db2.gz MQGSMDSIHBJRSM-IHWYPQMZSA-N 0 0 194.299 2.847 10 0 AFAERN CC(C)C[C@H](C)Nc1ccc(N)nc1 37264587 571761416 /nfs/dbraw/zinc/76/14/16/571761416.db2.gz NSEQSLQMTXQJDL-VIFPVBQESA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@@H](O)CC(C)(C)C(C)C 17495829 571761545 /nfs/dbraw/zinc/76/15/45/571761545.db2.gz JIDXBUVUYBNRJD-SECBINFHSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)(C)CC(=O)C(C)(C)F 17403751 571761583 /nfs/dbraw/zinc/76/15/83/571761583.db2.gz FRLGGSFRGBFWEF-UHFFFAOYSA-N 0 0 160.232 2.740 10 0 AFAERN CC(C)C(C)(C)C[C@H](C)CO 17495811 571761612 /nfs/dbraw/zinc/76/16/12/571761612.db2.gz ZNGZNIGJPTXABG-VIFPVBQESA-N 0 0 158.285 2.687 10 0 AFAERN CC[C@](C)(CO)CC(C)(C)C 17439897 571761651 /nfs/dbraw/zinc/76/16/51/571761651.db2.gz WVXYYXHYSGCJLU-JTQLQIEISA-N 0 0 158.285 2.831 10 0 AFAERN CC[C@@](C)(CO)CC(C)(C)C 17439896 571761886 /nfs/dbraw/zinc/76/18/86/571761886.db2.gz WVXYYXHYSGCJLU-SNVBAGLBSA-N 0 0 158.285 2.831 10 0 AFAERN CCCC[C@@H](C)c1nn(C)c(N)c1C 301003872 571761888 /nfs/dbraw/zinc/76/18/88/571761888.db2.gz YLZPZNKHOPMZDR-MRVPVSSYSA-N 0 0 195.310 2.604 10 0 AFAERN CC[C@H](O)CC(C)(C)C(C)C 17495831 571761950 /nfs/dbraw/zinc/76/19/50/571761950.db2.gz JIDXBUVUYBNRJD-VIFPVBQESA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)(C)CC(=O)C(C)(F)F 17403762 571762032 /nfs/dbraw/zinc/76/20/32/571762032.db2.gz ZONCUVNJLFUOIS-UHFFFAOYSA-N 0 0 164.195 2.647 10 0 AFAERN Cc1n[nH]c(=S)n1[C@H](C)CC(C)C 37265241 571762218 /nfs/dbraw/zinc/76/22/18/571762218.db2.gz JUFQGPKKOYNYSN-SSDOTTSWSA-N 0 0 199.323 2.856 10 0 AFAERN CC(C)(O)CCCC(C)(F)F 17401620 571762237 /nfs/dbraw/zinc/76/22/37/571762237.db2.gz PAOQGIRKUXJAIV-UHFFFAOYSA-N 0 0 166.211 2.583 10 0 AFAERN CC(C)/C=C\C(C)(C)[C@@H](C)O 17551777 571762245 /nfs/dbraw/zinc/76/22/45/571762245.db2.gz NFIDJEAUUOJJOS-ATJFRQLMSA-N 0 0 156.269 2.606 10 0 AFAERN C/C=C/[C@](C)(O)CCC(C)C 17457129 571762275 /nfs/dbraw/zinc/76/22/75/571762275.db2.gz DQOLZBHQMVWYNJ-STUBTGCMSA-N 0 0 156.269 2.750 10 0 AFAERN CCC(C)(C)CCC(C)(C)O 17438184 571762279 /nfs/dbraw/zinc/76/22/79/571762279.db2.gz UOGLOZSRNUFRBW-UHFFFAOYSA-N 0 0 158.285 2.974 10 0 AFAERN C/C=C/[C@@](C)(O)CCC(C)C 17457122 571762361 /nfs/dbraw/zinc/76/23/61/571762361.db2.gz DQOLZBHQMVWYNJ-BREXMAIKSA-N 0 0 156.269 2.750 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)[C@@H](C)OCC 70829727 571762396 /nfs/dbraw/zinc/76/23/96/571762396.db2.gz ILRLHERTGNVHJQ-GMTAPVOTSA-N 0 0 188.311 2.599 10 0 AFAERN CC(=O)CC(F)(F)C(C)(C)C 17414676 571762472 /nfs/dbraw/zinc/76/24/72/571762472.db2.gz ZQWGOLAPRGPZDQ-UHFFFAOYSA-N 0 0 164.195 2.647 10 0 AFAERN CCC(C)(C)CC(C)(C)CO 17434855 571762630 /nfs/dbraw/zinc/76/26/30/571762630.db2.gz PJCCQFQVGPXPBV-UHFFFAOYSA-N 0 0 158.285 2.831 10 0 AFAERN CCC[C@@H](C)C[C@H](O)[C@@H](C)OCC 70829720 571762799 /nfs/dbraw/zinc/76/27/99/571762799.db2.gz ILRLHERTGNVHJQ-MXWKQRLJSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)C(C)(C)CC(C)(C)O 17403976 571762747 /nfs/dbraw/zinc/76/27/47/571762747.db2.gz AFAGOZQARIRDIQ-UHFFFAOYSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)C(C)(C)C[C@@H](C)CO 17495809 571762751 /nfs/dbraw/zinc/76/27/51/571762751.db2.gz ZNGZNIGJPTXABG-SECBINFHSA-N 0 0 158.285 2.687 10 0 AFAERN CC(=O)C(F)(F)CCC(C)C 17549743 571762794 /nfs/dbraw/zinc/76/27/94/571762794.db2.gz MLUSHBOWBAAFCV-UHFFFAOYSA-N 0 0 164.195 2.647 10 0 AFAERN Cc1ccc(-c2cc(N)ccc2C)cn1 70994153 571764007 /nfs/dbraw/zinc/76/40/07/571764007.db2.gz WBPVYBLNVMRGDC-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(=O)C(F)(F)CC(C)(C)C 17404990 571762815 /nfs/dbraw/zinc/76/28/15/571762815.db2.gz ZFDOLAXQMOOYHK-UHFFFAOYSA-N 0 0 164.195 2.647 10 0 AFAERN C/C=C\[C@@](C)(O)CCC(C)C 17457118 571762836 /nfs/dbraw/zinc/76/28/36/571762836.db2.gz DQOLZBHQMVWYNJ-ONRRBMGISA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)/C=C\C(C)(C)[C@H](C)O 17551781 571762918 /nfs/dbraw/zinc/76/29/18/571762918.db2.gz NFIDJEAUUOJJOS-NMTCXDENSA-N 0 0 156.269 2.606 10 0 AFAERN C/C=C(/[C@H](C)O)C(C)(C)CC 17605560 571765095 /nfs/dbraw/zinc/76/50/95/571765095.db2.gz RKOOCZDIVDRXEQ-HWPCKVLBSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)C[C@@H](C)Nc1ccc(N)nc1 37264586 571763799 /nfs/dbraw/zinc/76/37/99/571763799.db2.gz NSEQSLQMTXQJDL-SECBINFHSA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@@](C)(O)CCCC(F)F 17617902 571763924 /nfs/dbraw/zinc/76/39/24/571763924.db2.gz OOYCGKVDSHEDFX-MRVPVSSYSA-N 0 0 166.211 2.583 10 0 AFAERN CC(C)C[C@H](C)Cn1ccc(C=O)c1 301003678 571764227 /nfs/dbraw/zinc/76/42/27/571764227.db2.gz XNWISJHOBQWNHZ-NSHDSACASA-N 0 0 193.290 2.983 10 0 AFAERN C/C=C\[C@H](O)CC(C)(C)CC 17676427 571764229 /nfs/dbraw/zinc/76/42/29/571764229.db2.gz VVDJKGLKDZTCPW-PGBBXKAQSA-N 0 0 156.269 2.750 10 0 AFAERN CCC[C@H](C)C[C@@H](O)[C@@H](C)OCC 70829729 571764243 /nfs/dbraw/zinc/76/42/43/571764243.db2.gz ILRLHERTGNVHJQ-HBNTYKKESA-N 0 0 188.311 2.599 10 0 AFAERN CCC/C=C\c1nc(C)cnc1C 38664986 571764247 /nfs/dbraw/zinc/76/42/47/571764247.db2.gz UMTDAONBRYDKKC-SREVYHEPSA-N 0 0 176.263 2.907 10 0 AFAERN CCC(C)(C)[C@H](C)C[C@H](C)O 17699336 571764362 /nfs/dbraw/zinc/76/43/62/571764362.db2.gz GJKXBCVSGLIPSS-BDAKNGLRSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(C)(C)[C@@H](C)C[C@@H](C)O 17699330 571764394 /nfs/dbraw/zinc/76/43/94/571764394.db2.gz GJKXBCVSGLIPSS-DTWKUNHWSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(C)(C)/C=C\C[C@H](C)O 17632978 571764414 /nfs/dbraw/zinc/76/44/14/571764414.db2.gz FORCNMIVXJOHOH-XZLDQRQTSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)(F)C(=O)C[C@]1(C)CC1(F)F 689351956 571764542 /nfs/dbraw/zinc/76/45/42/571764542.db2.gz TWLNGVBLUPUATD-MRVPVSSYSA-N 0 0 194.196 2.739 10 0 AFAERN Cc1cccc2c(=O)cc(C3CC3)[nH]c12 71008702 571765180 /nfs/dbraw/zinc/76/51/80/571765180.db2.gz QIXCQMIQJQQYIQ-UHFFFAOYSA-N 0 0 199.253 2.714 10 0 AFAERN CC(C)(F)C(=O)C[C@@]1(C)CC1(F)F 689351958 571764654 /nfs/dbraw/zinc/76/46/54/571764654.db2.gz TWLNGVBLUPUATD-QMMMGPOBSA-N 0 0 194.196 2.739 10 0 AFAERN CC(C)C/C=C\C(C)(C)CO 17632916 571764862 /nfs/dbraw/zinc/76/48/62/571764862.db2.gz ZKICGUCRRFQCOO-ALCCZGGFSA-N 0 0 156.269 2.607 10 0 AFAERN OCc1csc(-c2cccs2)c1 26388332 571764885 /nfs/dbraw/zinc/76/48/85/571764885.db2.gz LSOXYVFRNVHVIW-UHFFFAOYSA-N 0 0 196.296 2.969 10 0 AFAERN CC[C@](C)(O)CCCC(F)F 17617904 571764898 /nfs/dbraw/zinc/76/48/98/571764898.db2.gz OOYCGKVDSHEDFX-QMMMGPOBSA-N 0 0 166.211 2.583 10 0 AFAERN CC[C@@H](C)CC[C@@H](O)C1CC1 71007861 571764954 /nfs/dbraw/zinc/76/49/54/571764954.db2.gz PAVHNWAWJWDCBN-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CCC(F)(F)CCC[C@@H](C)O 17618033 571764992 /nfs/dbraw/zinc/76/49/92/571764992.db2.gz ZMDWELZNVMGXAH-SSDOTTSWSA-N 0 0 166.211 2.583 10 0 AFAERN CCC(C)(C)CCC[C@@H](C)O 17617635 571765022 /nfs/dbraw/zinc/76/50/22/571765022.db2.gz VVXPURGVQYGXPM-SECBINFHSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@H](C)CCC(=O)C1CC1 71002860 571765046 /nfs/dbraw/zinc/76/50/46/571765046.db2.gz NVCULJBNPAPHTM-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(C)(C)C[C@@H](C)CCO 17644580 571765059 /nfs/dbraw/zinc/76/50/59/571765059.db2.gz DGGPDMDYTUCNFR-VIFPVBQESA-N 0 0 158.285 2.831 10 0 AFAERN CCC[C@H](O)CC(C)(C)CC 17644684 571765078 /nfs/dbraw/zinc/76/50/78/571765078.db2.gz XCRJZECNKQTTGS-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN C/C=C/[C@@H](O)CC(C)(C)CC 17676430 571765085 /nfs/dbraw/zinc/76/50/85/571765085.db2.gz VVDJKGLKDZTCPW-VPIOIWJLSA-N 0 0 156.269 2.750 10 0 AFAERN CCCCn1[nH]c(C2CC2)cc1=S 71006946 571765113 /nfs/dbraw/zinc/76/51/13/571765113.db2.gz JXOKAIFGHDWBRY-UHFFFAOYSA-N 0 0 196.319 2.849 10 0 AFAERN CCC[C@H](C)CC[C@@H](O)C1CC1 71007845 571765145 /nfs/dbraw/zinc/76/51/45/571765145.db2.gz HYEZDPKCPYEPAD-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC(=O)C(C)(C)/C=C\C(C)C 17553691 571765336 /nfs/dbraw/zinc/76/53/36/571765336.db2.gz SEWWYJXDPVGGBA-SREVYHEPSA-N 0 0 154.253 2.814 10 0 AFAERN O[C@@H](CCC1CCCC1)C1CC1 71007692 571765396 /nfs/dbraw/zinc/76/53/96/571765396.db2.gz MEDLCZQHULXGHL-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN C/C=C/[C@H](O)CC(C)(C)CC 17676428 571765407 /nfs/dbraw/zinc/76/54/07/571765407.db2.gz VVDJKGLKDZTCPW-IWGCBNPKSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1ccccc1CC[C@H](O)C1CC1 71007602 571765409 /nfs/dbraw/zinc/76/54/09/571765409.db2.gz LQKRWDFQBIWFSL-ZDUSSCGKSA-N 0 0 190.286 2.699 10 0 AFAERN CCC(C)(C)C[C@H](C)CCO 17644582 571765417 /nfs/dbraw/zinc/76/54/17/571765417.db2.gz DGGPDMDYTUCNFR-SECBINFHSA-N 0 0 158.285 2.831 10 0 AFAERN COC(=O)c1ccc(CC(C)C)s1 168920665 571765474 /nfs/dbraw/zinc/76/54/74/571765474.db2.gz PLBORWDDQLCOKJ-UHFFFAOYSA-N 0 0 198.287 2.733 10 0 AFAERN CCC[C@@H](O)CC(C)(C)CC 17644682 571765580 /nfs/dbraw/zinc/76/55/80/571765580.db2.gz XCRJZECNKQTTGS-SECBINFHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)CC[C@H](O)C1CC1 71007838 571765581 /nfs/dbraw/zinc/76/55/81/571765581.db2.gz HYEZDPKCPYEPAD-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)CC[C@@H](O)C1CC1 71007863 571765621 /nfs/dbraw/zinc/76/56/21/571765621.db2.gz PAVHNWAWJWDCBN-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN C/C=C\[C@@H](O)CC(C)(C)CC 17676429 571765669 /nfs/dbraw/zinc/76/56/69/571765669.db2.gz VVDJKGLKDZTCPW-WILPJHFFSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)=C/C=C\C(C)(C)CO 17643361 571765677 /nfs/dbraw/zinc/76/56/77/571765677.db2.gz JJDPAAGYXCRKBK-ALCCZGGFSA-N 0 0 154.253 2.527 10 0 AFAERN CCC(C)(C)[C@@H](C)C[C@H](C)O 17699334 571765780 /nfs/dbraw/zinc/76/57/80/571765780.db2.gz GJKXBCVSGLIPSS-IUCAKERBSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)c1cc(C)no1 38415835 571765829 /nfs/dbraw/zinc/76/58/29/571765829.db2.gz NBHMCZUZGAKZTP-UHFFFAOYSA-N 0 0 153.225 2.887 10 0 AFAERN CCC(C)(C)/C=C\C[C@@H](C)O 17632971 571765839 /nfs/dbraw/zinc/76/58/39/571765839.db2.gz FORCNMIVXJOHOH-JGAIRUGNSA-N 0 0 156.269 2.750 10 0 AFAERN CCC(C)(C)[C@H](C)C[C@@H](C)O 17699332 571765906 /nfs/dbraw/zinc/76/59/06/571765906.db2.gz GJKXBCVSGLIPSS-RKDXNWHRSA-N 0 0 158.285 2.830 10 0 AFAERN CCC[C@@H](C)CC[C@H](O)C1CC1 71007836 571765917 /nfs/dbraw/zinc/76/59/17/571765917.db2.gz HYEZDPKCPYEPAD-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc2[nH]c(C3CC3)cc(=O)c2c1 71008606 571765929 /nfs/dbraw/zinc/76/59/29/571765929.db2.gz WUHAQLAEZQBLPC-UHFFFAOYSA-N 0 0 199.253 2.714 10 0 AFAERN CC[C@@H](C)CCC(=O)C1CC1 71002858 571766182 /nfs/dbraw/zinc/76/61/82/571766182.db2.gz NVCULJBNPAPHTM-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN O[C@H](CCC1CCCC1)C1CC1 71007695 571766220 /nfs/dbraw/zinc/76/62/20/571766220.db2.gz MEDLCZQHULXGHL-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN O=C(CCc1ccsc1)C1CC1 71002845 571766336 /nfs/dbraw/zinc/76/63/36/571766336.db2.gz KPDGHSBJVUMYGA-UHFFFAOYSA-N 0 0 180.272 2.660 10 0 AFAERN CCC[C@@H](C)CC[C@@H](O)C1CC1 71007842 571766404 /nfs/dbraw/zinc/76/64/04/571766404.db2.gz HYEZDPKCPYEPAD-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)CC[C@H](O)C1CC1 71007854 571766506 /nfs/dbraw/zinc/76/65/06/571766506.db2.gz PAVHNWAWJWDCBN-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@H](CCc1ccccc1F)C1CC1 71008038 571766583 /nfs/dbraw/zinc/76/65/83/571766583.db2.gz GHUJSUUQVOOENB-GFCCVEGCSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@H](C)CC[C@H](O)C1CC1 71007857 571766586 /nfs/dbraw/zinc/76/65/86/571766586.db2.gz PAVHNWAWJWDCBN-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@@H](CCc1ccccc1F)C1CC1 71008034 571766639 /nfs/dbraw/zinc/76/66/39/571766639.db2.gz GHUJSUUQVOOENB-LBPRGKRZSA-N 0 0 194.249 2.529 10 0 AFAERN CC(C)CCOCCCC(=O)C1CC1 71002883 571766640 /nfs/dbraw/zinc/76/66/40/571766640.db2.gz NSMFVMJNAMJKQW-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1cccc(CC[C@H](O)C2CC2)c1 71007597 571766642 /nfs/dbraw/zinc/76/66/42/571766642.db2.gz RHBTVXTVZMPANC-ZDUSSCGKSA-N 0 0 190.286 2.699 10 0 AFAERN CCCCOCCCC(=O)C1CC1 71002826 571766645 /nfs/dbraw/zinc/76/66/45/571766645.db2.gz KEJVQAPVCBLALE-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN Cc1ccccc1CC[C@@H](O)C1CC1 71007604 571766671 /nfs/dbraw/zinc/76/66/71/571766671.db2.gz LQKRWDFQBIWFSL-CYBMUJFWSA-N 0 0 190.286 2.699 10 0 AFAERN CC(C)(C)CCC[C@@H](O)C1CC1 71007549 571766770 /nfs/dbraw/zinc/76/67/70/571766770.db2.gz MDLUIYYUBWUOSD-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccc(CC[C@@H](O)C2CC2)c1 71007599 571766722 /nfs/dbraw/zinc/76/67/22/571766722.db2.gz RHBTVXTVZMPANC-CYBMUJFWSA-N 0 0 190.286 2.699 10 0 AFAERN CC(C)OCC[C@@]1(C)CCC(=O)C1 687799192 571767067 /nfs/dbraw/zinc/76/70/67/571767067.db2.gz OHPPWWKOROXXDQ-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1cnn([C@H]2CCC[C@@H](C)C2)c1N 26516517 571767082 /nfs/dbraw/zinc/76/70/82/571767082.db2.gz BFKWUKNXEVAOMJ-SCZZXKLOSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cnn([C@H]2CCC[C@H](C)C2)c1N 26516519 571767289 /nfs/dbraw/zinc/76/72/89/571767289.db2.gz BFKWUKNXEVAOMJ-WPRPVWTQSA-N 0 0 193.294 2.525 10 0 AFAERN C[C@H]1C[C@H]1C(=O)CC(C)(C)C 18671282 571767312 /nfs/dbraw/zinc/76/73/12/571767312.db2.gz HGGJTHKGSZBUGG-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CCCCOCC[C@H](O)c1ccoc1 69946250 571767329 /nfs/dbraw/zinc/76/73/29/571767329.db2.gz KHCVNUPOFCPFRW-NSHDSACASA-N 0 0 198.262 2.520 10 0 AFAERN CCCc1nc([C@@H](C)O)sc1CC 71026482 571767582 /nfs/dbraw/zinc/76/75/82/571767582.db2.gz QFKGQVQBNYEJPI-SSDOTTSWSA-N 0 0 199.319 2.711 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)CC(C)(C)C 18671280 571767707 /nfs/dbraw/zinc/76/77/07/571767707.db2.gz HGGJTHKGSZBUGG-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CCC[C@H](CC)n1cnnc1Cl 71054962 571767912 /nfs/dbraw/zinc/76/79/12/571767912.db2.gz PFLWJBIXEKGHPY-ZETCQYMHSA-N 0 0 187.674 2.683 10 0 AFAERN CCCCOCC[C@@H](O)c1ccoc1 69946251 571767956 /nfs/dbraw/zinc/76/79/56/571767956.db2.gz KHCVNUPOFCPFRW-LLVKDONJSA-N 0 0 198.262 2.520 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccc(C)c(N)c1 234140108 571768096 /nfs/dbraw/zinc/76/80/96/571768096.db2.gz JKYFJHRJWSLMFA-CABZTGNLSA-N 0 0 190.290 2.788 10 0 AFAERN CCC[C@H](C)CC(=O)C[C@H]1CCOC1 160815151 571768156 /nfs/dbraw/zinc/76/81/56/571768156.db2.gz DFECYMPEWAVRCS-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CCCCn1c(Cl)nnc1C1CC1 71052709 571768189 /nfs/dbraw/zinc/76/81/89/571768189.db2.gz ZIRUNEMGJDEHFR-UHFFFAOYSA-N 0 0 199.685 2.609 10 0 AFAERN CC1(C(=O)C[C@@]2(C)CC2(F)F)CC1 689356693 571771741 /nfs/dbraw/zinc/77/17/41/571771741.db2.gz NZVLWUQCXGNNFC-VIFPVBQESA-N 0 0 188.217 2.791 10 0 AFAERN CCCC[C@H](C)n1cnnc1Cl 71054718 571768244 /nfs/dbraw/zinc/76/82/44/571768244.db2.gz QYDXTRNTBXVRSL-ZETCQYMHSA-N 0 0 187.674 2.683 10 0 AFAERN CC(C)OCC[C@]1(C)CCC(=O)C1 687799193 571768381 /nfs/dbraw/zinc/76/83/81/571768381.db2.gz OHPPWWKOROXXDQ-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)CC(C)(C)C 18671281 571768616 /nfs/dbraw/zinc/76/86/16/571768616.db2.gz HGGJTHKGSZBUGG-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)CC(C)(C)C 18671279 571768686 /nfs/dbraw/zinc/76/86/86/571768686.db2.gz HGGJTHKGSZBUGG-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC[C@@H](C)n1cnnc1Cl 71054660 571768963 /nfs/dbraw/zinc/76/89/63/571768963.db2.gz QYDXTRNTBXVRSL-SSDOTTSWSA-N 0 0 187.674 2.683 10 0 AFAERN Cc1cnn([C@@H]2CCC[C@H](C)C2)c1N 26516516 571769441 /nfs/dbraw/zinc/76/94/41/571769441.db2.gz BFKWUKNXEVAOMJ-WCBMZHEXSA-N 0 0 193.294 2.525 10 0 AFAERN CCCCOCCC(=O)c1ccoc1 69946105 571769476 /nfs/dbraw/zinc/76/94/76/571769476.db2.gz XCJUKLPMNSHCEK-UHFFFAOYSA-N 0 0 196.246 2.669 10 0 AFAERN CC[C@@H](CCCO)C(C)(C)C 18680551 571769705 /nfs/dbraw/zinc/76/97/05/571769705.db2.gz VIRMBSNUQKKLJW-VIFPVBQESA-N 0 0 158.285 2.831 10 0 AFAERN Cc1cnn([C@@H]2CCC[C@@H](C)C2)c1N 26516514 571769843 /nfs/dbraw/zinc/76/98/43/571769843.db2.gz BFKWUKNXEVAOMJ-PSASIEDQSA-N 0 0 193.294 2.525 10 0 AFAERN CCC[C@@H](CC)n1cnnc1Cl 71054957 571769966 /nfs/dbraw/zinc/76/99/66/571769966.db2.gz PFLWJBIXEKGHPY-SSDOTTSWSA-N 0 0 187.674 2.683 10 0 AFAERN Cc1ccc(-c2cc(N)ccc2N)cc1 113251940 571770147 /nfs/dbraw/zinc/77/01/47/571770147.db2.gz QFUWDYZUMACFKK-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CCCc1nc([C@H](C)O)sc1CC 71026484 571770151 /nfs/dbraw/zinc/77/01/51/571770151.db2.gz QFKGQVQBNYEJPI-ZETCQYMHSA-N 0 0 199.319 2.711 10 0 AFAERN C/C(=C/c1ccccc1F)[C@H](C)O 379299757 571770337 /nfs/dbraw/zinc/77/03/37/571770337.db2.gz GOQBPPVWRUXHCP-FUOZMLNRSA-N 0 0 180.222 2.610 10 0 AFAERN CO/C=C/c1ccc2ccccc2n1 214487648 571770532 /nfs/dbraw/zinc/77/05/32/571770532.db2.gz JTZZBWRQDBIFDB-CMDGGOBGSA-N 0 0 185.226 2.852 10 0 AFAERN Cc1ccccc1-c1cc(N)ccc1N 113251942 571770743 /nfs/dbraw/zinc/77/07/43/571770743.db2.gz HHCLJWLKKKEEOL-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CC(=O)Cc1cc(C)c2[nH]ccc2c1 214489883 571770744 /nfs/dbraw/zinc/77/07/44/571770744.db2.gz GHLRWMVZJMUGKI-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CC(C)(C)/C=C/C(=O)N1CCCCC1 142129087 571770971 /nfs/dbraw/zinc/77/09/71/571770971.db2.gz HCFODZSCKXQQCK-BQYQJAHWSA-N 0 0 195.306 2.601 10 0 AFAERN CC[C@H](C)Oc1ccc(C)cc1CO 70955904 571771262 /nfs/dbraw/zinc/77/12/62/571771262.db2.gz IWZBFJYBGKXCRC-JTQLQIEISA-N 0 0 194.274 2.665 10 0 AFAERN CCCCCCC(=O)[C@@H](O)C(C)C 214488791 571771323 /nfs/dbraw/zinc/77/13/23/571771323.db2.gz WKFNWAWRKRHNPD-NSHDSACASA-N 0 0 186.295 2.543 10 0 AFAERN C/C=C\CNc1cccc(F)c1F 379300577 571771386 /nfs/dbraw/zinc/77/13/86/571771386.db2.gz OBZITCVYIKTWAU-IHWYPQMZSA-N 0 0 183.201 2.953 10 0 AFAERN C/C(=C/c1ccccc1C)[C@@H](C)O 379300606 571771408 /nfs/dbraw/zinc/77/14/08/571771408.db2.gz OIIAJHSAYPTNCR-HIJJYWJESA-N 0 0 176.259 2.779 10 0 AFAERN CCCc1nc(C(C)=O)sc1CC 71137060 571771590 /nfs/dbraw/zinc/77/15/90/571771590.db2.gz AAPCUIGZDXZKKS-UHFFFAOYSA-N 0 0 197.303 2.861 10 0 AFAERN N#Cc1ccccc1NC/C=C\Cl 379300527 571771661 /nfs/dbraw/zinc/77/16/61/571771661.db2.gz MDGUHTYMZRKEDL-UTCJRWHESA-N 0 0 192.649 2.723 10 0 AFAERN CCCCOCc1c(N)cccc1F 70962152 571772069 /nfs/dbraw/zinc/77/20/69/571772069.db2.gz RLXWOZCTKSJQLQ-UHFFFAOYSA-N 0 0 197.253 2.725 10 0 AFAERN Cc1nc2cc(Cl)cc(C)c2[nH]1 1439027 571772151 /nfs/dbraw/zinc/77/21/51/571772151.db2.gz IQBIVHZMQQBQEP-UHFFFAOYSA-N 0 0 180.638 2.833 10 0 AFAERN CCCCCNc1cnccc1C 70958227 571772199 /nfs/dbraw/zinc/77/21/99/571772199.db2.gz BJRGLCZYURQJCJ-UHFFFAOYSA-N 0 0 178.279 2.992 10 0 AFAERN CC1(C(=O)C[C@]2(C)CC2(F)F)CC1 689356690 571772351 /nfs/dbraw/zinc/77/23/51/571772351.db2.gz NZVLWUQCXGNNFC-SECBINFHSA-N 0 0 188.217 2.791 10 0 AFAERN CC(C)COCc1c(N)cccc1F 70962112 571772488 /nfs/dbraw/zinc/77/24/88/571772488.db2.gz VJRUZYSKCHVVRR-UHFFFAOYSA-N 0 0 197.253 2.581 10 0 AFAERN CSCCCNc1cnccc1C 70958265 571772549 /nfs/dbraw/zinc/77/25/49/571772549.db2.gz NZNPSMCSFBVMRU-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN COC(=O)Nc1ccc(C)c(C)c1C 142401343 571772647 /nfs/dbraw/zinc/77/26/47/571772647.db2.gz AQZVGCBACVUWIH-UHFFFAOYSA-N 0 0 193.246 2.790 10 0 AFAERN CC1(C)[C@@]2(C)CC[C@H](C2)[C@@]1(C)O 1462947 571772649 /nfs/dbraw/zinc/77/26/49/571772649.db2.gz QPNYENSVFYUWIZ-DVVUODLYSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@@H](C)OCc1c(N)cccc1F 70962161 571772663 /nfs/dbraw/zinc/77/26/63/571772663.db2.gz UDQUVFNKVGIHJL-MRVPVSSYSA-N 0 0 197.253 2.723 10 0 AFAERN C/C(=C/c1ccccc1F)[C@@H](C)O 379299758 571772736 /nfs/dbraw/zinc/77/27/36/571772736.db2.gz GOQBPPVWRUXHCP-UFGYOYAJSA-N 0 0 180.222 2.610 10 0 AFAERN C/C(=C/c1ccccc1C)[C@H](C)O 379300608 571772840 /nfs/dbraw/zinc/77/28/40/571772840.db2.gz OIIAJHSAYPTNCR-IEHMKBBKSA-N 0 0 176.259 2.779 10 0 AFAERN CC[C@H](CCCO)C(C)(C)C 18680553 571772852 /nfs/dbraw/zinc/77/28/52/571772852.db2.gz VIRMBSNUQKKLJW-SECBINFHSA-N 0 0 158.285 2.831 10 0 AFAERN Fc1cc(F)cc(-c2cnoc2)c1 1503051 571773598 /nfs/dbraw/zinc/77/35/98/571773598.db2.gz TWMIBDOHAFHJDZ-UHFFFAOYSA-N 0 0 181.141 2.620 10 0 AFAERN CCC(C)(C)C(=O)O[C@H](C)C(F)F 142474046 571773148 /nfs/dbraw/zinc/77/31/48/571773148.db2.gz RZVPFVPXGMQJPT-ZCFIWIBFSA-N 0 0 194.221 2.619 10 0 AFAERN CC[C@H](C)OCc1c(N)cccc1F 70962164 571773502 /nfs/dbraw/zinc/77/35/02/571773502.db2.gz UDQUVFNKVGIHJL-QMMMGPOBSA-N 0 0 197.253 2.723 10 0 AFAERN CCCCS[C@@H]1CCCC1=O 37351867 571773802 /nfs/dbraw/zinc/77/38/02/571773802.db2.gz HDMMBBZMQHPJIY-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN Cc1ccc2c(CO)cccc2c1 116765378 571774037 /nfs/dbraw/zinc/77/40/37/571774037.db2.gz PKWLYEPIVSOVRG-UHFFFAOYSA-N 0 0 172.227 2.641 10 0 AFAERN CC[C@@H](C)Oc1ccc(C)cc1CO 70955902 571774055 /nfs/dbraw/zinc/77/40/55/571774055.db2.gz IWZBFJYBGKXCRC-SNVBAGLBSA-N 0 0 194.274 2.665 10 0 AFAERN c1cc(OC2CCCCC2)ccn1 1506983 571774188 /nfs/dbraw/zinc/77/41/88/571774188.db2.gz BMWCTAFGOXQSBV-UHFFFAOYSA-N 0 0 177.247 2.793 10 0 AFAERN CCc1ccc(N(C)C)cc1C 142736767 571774355 /nfs/dbraw/zinc/77/43/55/571774355.db2.gz LTLYWSKOXNFFQQ-UHFFFAOYSA-N 0 0 163.264 2.623 10 0 AFAERN Cc1ccc2[nH]cc(C)c2c1 1564625 571774569 /nfs/dbraw/zinc/77/45/69/571774569.db2.gz OFAYMWCMRNLYKN-UHFFFAOYSA-N 0 0 145.205 2.785 10 0 AFAERN C/C=C/COc1ccc(C)cc1C=O 70955598 571774576 /nfs/dbraw/zinc/77/45/76/571774576.db2.gz QLJMWJMYVSGUMH-ONEGZZNKSA-N 0 0 190.242 2.762 10 0 AFAERN CC(=O)C[C@H](C)SC(C)(C)C 1557085 571774577 /nfs/dbraw/zinc/77/45/77/571774577.db2.gz LNSBZYQEMVAVAI-QMMMGPOBSA-N 0 0 174.309 2.886 10 0 AFAERN CC(C)=CCC[C@H](CO)C(F)(F)F 38950882 571774610 /nfs/dbraw/zinc/77/46/10/571774610.db2.gz MEKLFOIJXVMZBK-MRVPVSSYSA-N 0 0 196.212 2.904 10 0 AFAERN C=Cc1ccccc1CSCCO 39039217 571774632 /nfs/dbraw/zinc/77/46/32/571774632.db2.gz HIJVATCFQKVRBB-UHFFFAOYSA-N 0 0 194.299 2.555 10 0 AFAERN Cc1ccc(=O)c2ccsc2c1 1566683 571774700 /nfs/dbraw/zinc/77/47/00/571774700.db2.gz IIJTWTQNHRADAI-UHFFFAOYSA-N 0 0 176.240 2.570 10 0 AFAERN CCCC(=O)O[C@H](C)c1nccs1 39039375 571774715 /nfs/dbraw/zinc/77/47/15/571774715.db2.gz DILRGUOYAXWYTR-SSDOTTSWSA-N 0 0 199.275 2.547 10 0 AFAERN Cc1nc(-n2cccc2)sc1C 1519949 571774862 /nfs/dbraw/zinc/77/48/62/571774862.db2.gz XVRGHBQYJUWJLA-UHFFFAOYSA-N 0 0 178.260 2.551 10 0 AFAERN Cc1cc(C)c2nc(C=O)ccc2c1 1526664 571775097 /nfs/dbraw/zinc/77/50/97/571775097.db2.gz GIKAJBTXRSNVJF-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN O=c1[nH]c2ccoc2c2ccccc12 116781036 571775170 /nfs/dbraw/zinc/77/51/70/571775170.db2.gz JGPOVEGQOYXVHK-UHFFFAOYSA-N 0 0 185.182 2.687 10 0 AFAERN CC(C)C[C@@]1(O)CCCC[C@H]1C 37375802 571775263 /nfs/dbraw/zinc/77/52/63/571775263.db2.gz RLPXKBBNEQBNBO-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@]1(O)CCCC[C@H]1C 37375807 571775403 /nfs/dbraw/zinc/77/54/03/571775403.db2.gz RLPXKBBNEQBNBO-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc2ccccn2c1N=O 27093630 571775694 /nfs/dbraw/zinc/77/56/94/571775694.db2.gz BQABKTDSNDYBSN-UHFFFAOYSA-N 0 0 160.176 2.646 10 0 AFAERN CC(C)[C@@](C)(O)C1CCCC1 37380378 571775966 /nfs/dbraw/zinc/77/59/66/571775966.db2.gz LBFHTBGPRWEJBW-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)n1cc(-c2ccncc2)cn1 1502035 571775647 /nfs/dbraw/zinc/77/56/47/571775647.db2.gz FCADIPDWDLZPEX-UHFFFAOYSA-N 0 0 187.246 2.526 10 0 AFAERN CC[C@H](C)[C@H]1C[C@H](C)CCO1 205614767 571775714 /nfs/dbraw/zinc/77/57/14/571775714.db2.gz ADAHKBPTDGLBPM-KXUCPTDWSA-N 0 0 156.269 2.848 10 0 AFAERN CCO[C@H](C(C)=O)c1sccc1C 687800483 571775852 /nfs/dbraw/zinc/77/58/52/571775852.db2.gz YPKPGEOIVZKUBJ-SECBINFHSA-N 0 0 198.287 2.723 10 0 AFAERN C[C@]1(CCc2ccccc2)C[C@H]1CO 38950545 571775986 /nfs/dbraw/zinc/77/59/86/571775986.db2.gz DZDIWKDXKXDZDF-STQMWFEESA-N 0 0 190.286 2.638 10 0 AFAERN CCCC[C@@H](C)c1nncn1CC 301005291 571776293 /nfs/dbraw/zinc/77/62/93/571776293.db2.gz YRKBSWKZUVSVEU-SECBINFHSA-N 0 0 181.283 2.592 10 0 AFAERN CCCCC(=O)C[C@H](O)CC(C)C 142704742 571776408 /nfs/dbraw/zinc/77/64/08/571776408.db2.gz DHALOPGHOCDVLT-LLVKDONJSA-N 0 0 186.295 2.543 10 0 AFAERN CC(=O)c1ccccc1C 100218257 571785657 /nfs/dbraw/zinc/78/56/57/571785657.db2.gz FOQUOQOYOHRCJC-UHFFFAOYSA-N 0 0 134.178 2.524 10 0 AFAERN OCCCCC[C@@H]1C[C@H]1C1CC1 38995866 571776716 /nfs/dbraw/zinc/77/67/16/571776716.db2.gz OEVXHHDKOWUQRT-MNOVXSKESA-N 0 0 168.280 2.585 10 0 AFAERN CCCC/C(C)=C/[C@@H](C)O 116796259 571776740 /nfs/dbraw/zinc/77/67/40/571776740.db2.gz ZVFTYFNAGKZRLJ-FCZSHJHJSA-N 0 0 142.242 2.504 10 0 AFAERN CCC(C)(C)CC[C@@H](C)O 116794760 571776766 /nfs/dbraw/zinc/77/67/66/571776766.db2.gz IAKWKRMYXGMZKB-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN CCCC[C@H](C)c1nncn1CC 301005293 571776929 /nfs/dbraw/zinc/77/69/29/571776929.db2.gz YRKBSWKZUVSVEU-VIFPVBQESA-N 0 0 181.283 2.592 10 0 AFAERN C/C=C\c1cccc(C(C)=O)c1 39070912 571778286 /nfs/dbraw/zinc/77/82/86/571778286.db2.gz AJSWIQAQUQHNJK-HYXAFXHYSA-N 0 0 160.216 2.922 10 0 AFAERN CC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 1586195 571778289 /nfs/dbraw/zinc/77/82/89/571778289.db2.gz LMRURZOIJQPWDX-ZJUUUORDSA-N 0 0 166.264 2.814 10 0 AFAERN CCCC/C(C)=C/[C@H](C)O 116796264 571778290 /nfs/dbraw/zinc/77/82/90/571778290.db2.gz ZVFTYFNAGKZRLJ-FLOXNTQESA-N 0 0 142.242 2.504 10 0 AFAERN CCSc1nc2cccccc-2n1 205610802 571777043 /nfs/dbraw/zinc/77/70/43/571777043.db2.gz YVDDTRAUFIQHNV-UHFFFAOYSA-N 0 0 190.271 2.693 10 0 AFAERN Cc1ccc(C)c2c1CC[C@@H](C)[C@H]2O 1596573 571777083 /nfs/dbraw/zinc/77/70/83/571777083.db2.gz RJLAJQDKXWWUNG-ZWNOBZJWSA-N 0 0 190.286 2.919 10 0 AFAERN CC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 1586193 571777095 /nfs/dbraw/zinc/77/70/95/571777095.db2.gz LMRURZOIJQPWDX-NXEZZACHSA-N 0 0 166.264 2.814 10 0 AFAERN CCN(C)c1ccc(Cl)s1 142773805 571777150 /nfs/dbraw/zinc/77/71/50/571777150.db2.gz HNMCYZMEDOYTGF-UHFFFAOYSA-N 0 0 175.684 2.858 10 0 AFAERN CC[C@@]1(O)CCCc2ccccc21 37376114 571777278 /nfs/dbraw/zinc/77/72/78/571777278.db2.gz VYHILIYITIZZDG-GFCCVEGCSA-N 0 0 176.259 2.621 10 0 AFAERN CCC(C)(C)N(O)C(C)(C)C 395609 571777399 /nfs/dbraw/zinc/77/73/99/571777399.db2.gz RLHHZKAPOROZIF-UHFFFAOYSA-N 0 0 159.273 2.665 10 0 AFAERN Cc1cccc(-c2cc(C)c(N)cn2)c1 301006196 571777560 /nfs/dbraw/zinc/77/75/60/571777560.db2.gz ZCTPRINBKZDZDD-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCC[C@@H](O)[C@H](C)OC(C)(C)C 38973753 571777569 /nfs/dbraw/zinc/77/75/69/571777569.db2.gz TVOHNIZQUZZRSV-VHSXEESVSA-N 0 0 188.311 2.741 10 0 AFAERN CC[C@H](C)[C@@H]1C[C@H](C)CCO1 205614738 571777577 /nfs/dbraw/zinc/77/75/77/571777577.db2.gz ADAHKBPTDGLBPM-UTLUCORTSA-N 0 0 156.269 2.848 10 0 AFAERN CCC(C)(C)Oc1cccc(F)c1N 37420305 571777610 /nfs/dbraw/zinc/77/76/10/571777610.db2.gz ALSLEACRBRXQQZ-UHFFFAOYSA-N 0 0 197.253 2.975 10 0 AFAERN CC(C)(C)c1ccc(F)cc1N 142757466 571777644 /nfs/dbraw/zinc/77/76/44/571777644.db2.gz ZYQNVJXYHPGOMO-UHFFFAOYSA-N 0 0 167.227 2.705 10 0 AFAERN CCc1n[nH]c2cc(Cl)ccc12 169009838 571777703 /nfs/dbraw/zinc/77/77/03/571777703.db2.gz XNXDOUHYLFOULC-UHFFFAOYSA-N 0 0 180.638 2.779 10 0 AFAERN CCO[C@@H](C(C)=O)c1sccc1C 687800484 571777760 /nfs/dbraw/zinc/77/77/60/571777760.db2.gz YPKPGEOIVZKUBJ-VIFPVBQESA-N 0 0 198.287 2.723 10 0 AFAERN c1cc2c3c(cncc3c1)CCC2 1610872 571777778 /nfs/dbraw/zinc/77/77/78/571777778.db2.gz QQQCQOQGEXLUDP-UHFFFAOYSA-N 0 0 169.227 2.724 10 0 AFAERN CCC(C)(C)CC[C@H](C)O 116794764 571777919 /nfs/dbraw/zinc/77/79/19/571777919.db2.gz IAKWKRMYXGMZKB-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN O[C@@H](c1ccccn1)C1CCCCC1 37464637 571781457 /nfs/dbraw/zinc/78/14/57/571781457.db2.gz OWHMESMBIRBJCJ-GFCCVEGCSA-N 0 0 191.274 2.695 10 0 AFAERN CCCCOC(=O)[C@@H]1C=CCCC1 142898716 571778043 /nfs/dbraw/zinc/77/80/43/571778043.db2.gz LZFRGKXVTWZYEB-SNVBAGLBSA-N 0 0 182.263 2.686 10 0 AFAERN CCC(O)(CC)CC(C)C 1622073 571778100 /nfs/dbraw/zinc/77/81/00/571778100.db2.gz RMBUNHOAKTUXTC-UHFFFAOYSA-N 0 0 144.258 2.584 10 0 AFAERN CC(C)(C)COC(=O)C1CCCC1 142832285 571778107 /nfs/dbraw/zinc/77/81/07/571778107.db2.gz XXEQCOIGOQOXSI-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)CC1(O)CCCCC1 37375369 571778120 /nfs/dbraw/zinc/77/81/20/571778120.db2.gz BJROFNGVAGISIW-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN CC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 1586194 571778220 /nfs/dbraw/zinc/77/82/20/571778220.db2.gz LMRURZOIJQPWDX-UWVGGRQHSA-N 0 0 166.264 2.814 10 0 AFAERN CC(C)CCNc1cccc(F)c1N 37419204 571778271 /nfs/dbraw/zinc/77/82/71/571778271.db2.gz HBVJPRXDERDRJQ-UHFFFAOYSA-N 0 0 196.269 2.866 10 0 AFAERN O=Cc1ccc(/C=C\c2ccccc2)[nH]1 142995777 571778371 /nfs/dbraw/zinc/77/83/71/571778371.db2.gz LCFMUZCRNBJGSP-SREVYHEPSA-N 0 0 197.237 2.998 10 0 AFAERN C[C@H]1CCCc2c(O)cccc21 116794977 571778416 /nfs/dbraw/zinc/77/84/16/571778416.db2.gz VYRUHONYPHXAGJ-QMMMGPOBSA-N 0 0 162.232 2.832 10 0 AFAERN C[C@@H]1CCCc2c(O)cccc21 116794974 571778458 /nfs/dbraw/zinc/77/84/58/571778458.db2.gz VYRUHONYPHXAGJ-MRVPVSSYSA-N 0 0 162.232 2.832 10 0 AFAERN Cc1ccc2c(c1O)CCCC2 116795255 571778551 /nfs/dbraw/zinc/77/85/51/571778551.db2.gz WBMBHELKPVWKDY-UHFFFAOYSA-N 0 0 162.232 2.579 10 0 AFAERN CC[C@H]1CCc2c(O)cccc21 116797179 571778643 /nfs/dbraw/zinc/77/86/43/571778643.db2.gz QETYUDWVUIZLDW-QMMMGPOBSA-N 0 0 162.232 2.832 10 0 AFAERN C[C@@H](CO)CC[C@H]1CCC(F)(F)C1 301009173 571778693 /nfs/dbraw/zinc/77/86/93/571778693.db2.gz XHSUNQFOSPRRJM-BDAKNGLRSA-N 0 0 192.249 2.830 10 0 AFAERN CC[C@@H]1CCc2c(O)cccc21 116797178 571778763 /nfs/dbraw/zinc/77/87/63/571778763.db2.gz QETYUDWVUIZLDW-MRVPVSSYSA-N 0 0 162.232 2.832 10 0 AFAERN CC1CCC(OC(=O)C(C)C)CC1 1583986 571778767 /nfs/dbraw/zinc/77/87/67/571778767.db2.gz VGYLSEDWKCYOQQ-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN CC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 1586192 571778772 /nfs/dbraw/zinc/77/87/72/571778772.db2.gz LMRURZOIJQPWDX-VHSXEESVSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1ccc([C@@H](O)C(C)C)cc1F 37465469 571781485 /nfs/dbraw/zinc/78/14/85/571781485.db2.gz LYPUTDFCISDEEZ-NSHDSACASA-N 0 0 182.238 2.824 10 0 AFAERN CC(C)(c1ccccc1)[C@H](N)C(F)F 687721687 571778996 /nfs/dbraw/zinc/77/89/96/571778996.db2.gz QPIJSMQHBOCGGL-SECBINFHSA-N 0 0 199.244 2.557 10 0 AFAERN CC[C@@](C)(O)Cc1ccccc1C 37463583 571779117 /nfs/dbraw/zinc/77/91/17/571779117.db2.gz NCWHQEUHOLCMAQ-GFCCVEGCSA-N 0 0 178.275 2.699 10 0 AFAERN CC(C)C[C@@H]1CCCC[C@]1(C)O 142815701 571779118 /nfs/dbraw/zinc/77/91/18/571779118.db2.gz ASIZVRQSDTZXAN-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(C)c2c1CC[C@@H](C)[C@@H]2O 1596574 571779230 /nfs/dbraw/zinc/77/92/30/571779230.db2.gz RJLAJQDKXWWUNG-MFKMUULPSA-N 0 0 190.286 2.919 10 0 AFAERN CC(C)=CCC(=O)Nc1ccccc1 1643783 571779239 /nfs/dbraw/zinc/77/92/39/571779239.db2.gz IHWRRBODZSEOOX-UHFFFAOYSA-N 0 0 189.258 2.981 10 0 AFAERN O[C@H](c1ccccn1)C1CCCCC1 37464639 571779290 /nfs/dbraw/zinc/77/92/90/571779290.db2.gz OWHMESMBIRBJCJ-LBPRGKRZSA-N 0 0 191.274 2.695 10 0 AFAERN Cc1cnc(Nc2ccccc2)o1 67822995 571779359 /nfs/dbraw/zinc/77/93/59/571779359.db2.gz XDAQEMOXWFTLHY-UHFFFAOYSA-N 0 0 174.203 2.727 10 0 AFAERN COCc1cccc2ccnc(C)c12 1612755 571779502 /nfs/dbraw/zinc/77/95/02/571779502.db2.gz BDYXSKJZXQFDLJ-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN Cc1ccc(C)c2c1CC[C@H](C)[C@@H]2O 1596576 571779533 /nfs/dbraw/zinc/77/95/33/571779533.db2.gz RJLAJQDKXWWUNG-GWCFXTLKSA-N 0 0 190.286 2.919 10 0 AFAERN CC(C)(c1ccccc1)[C@@H](N)C(F)F 687721688 571779587 /nfs/dbraw/zinc/77/95/87/571779587.db2.gz QPIJSMQHBOCGGL-VIFPVBQESA-N 0 0 199.244 2.557 10 0 AFAERN CC=Cc1ccccc1C(C)=O 1659986 571781512 /nfs/dbraw/zinc/78/15/12/571781512.db2.gz PLMSVTIBKTZMRJ-ZZXKWVIFSA-N 0 0 160.216 2.922 10 0 AFAERN CN[C@@H](c1cscc1C)C(F)F 687721966 571779678 /nfs/dbraw/zinc/77/96/78/571779678.db2.gz MSWSWSPDWDEABG-ZETCQYMHSA-N 0 0 191.246 2.582 10 0 AFAERN CC[C@](C)(O)Cc1cccc(F)c1 37463589 571779718 /nfs/dbraw/zinc/77/97/18/571779718.db2.gz MIMVJOJLJRKVHD-NSHDSACASA-N 0 0 182.238 2.529 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccc(N)cc1F 234141245 571779721 /nfs/dbraw/zinc/77/97/21/571779721.db2.gz FVSNYPCEWZPKKV-CPCISQLKSA-N 0 0 194.253 2.618 10 0 AFAERN CCCC[C@H](C)[C@]1(O)[C@H]2CCC[C@H]21 301009367 571779738 /nfs/dbraw/zinc/77/97/38/571779738.db2.gz ZPVMIPPWSPZYTI-YFKTTZPYSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H](CO)CC[C@@H]1CCC(F)(F)C1 301009176 571779765 /nfs/dbraw/zinc/77/97/65/571779765.db2.gz XHSUNQFOSPRRJM-RKDXNWHRSA-N 0 0 192.249 2.830 10 0 AFAERN CC(=O)NC1CCC(C(C)(C)C)CC1 1674026 571779817 /nfs/dbraw/zinc/77/98/17/571779817.db2.gz SCUWGQUNHXZIOG-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@](C)(O)Cc1ccc(C)cc1 37463563 571780010 /nfs/dbraw/zinc/78/00/10/571780010.db2.gz PGWJWAZSANOCJW-GFCCVEGCSA-N 0 0 178.275 2.699 10 0 AFAERN CC[C@H]1C[C@H]1n1c(C)cc(C=O)c1C 234146345 571780263 /nfs/dbraw/zinc/78/02/63/571780263.db2.gz IJNSULQPTVXNCX-CMPLNLGQSA-N 0 0 191.274 2.888 10 0 AFAERN OC/C(F)=C/c1ccc(Cl)cc1 116860652 571780427 /nfs/dbraw/zinc/78/04/27/571780427.db2.gz UOSLHPQABAWDAK-UITAMQMPSA-N 0 0 186.613 2.643 10 0 AFAERN CC[C@@](C)(O)Cc1cccc(F)c1 37463592 571780479 /nfs/dbraw/zinc/78/04/79/571780479.db2.gz MIMVJOJLJRKVHD-LLVKDONJSA-N 0 0 182.238 2.529 10 0 AFAERN CCc1cc(=S)[nH]c(CC(C)C)n1 234144905 571780482 /nfs/dbraw/zinc/78/04/82/571780482.db2.gz ALBJSMYTIZXUQV-UHFFFAOYSA-N 0 0 196.319 2.526 10 0 AFAERN CC(C)OCCC(=O)CC(C)(C)C 687800793 571780620 /nfs/dbraw/zinc/78/06/20/571780620.db2.gz IUSNXIURFBTHGB-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN C[C@H](CO)CC[C@@H]1CCC(F)(F)C1 301009174 571780762 /nfs/dbraw/zinc/78/07/62/571780762.db2.gz XHSUNQFOSPRRJM-DTWKUNHWSA-N 0 0 192.249 2.830 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cccc(N)c1C 234142130 571780776 /nfs/dbraw/zinc/78/07/76/571780776.db2.gz NAEONKBEIOVTTG-CABZTGNLSA-N 0 0 190.290 2.788 10 0 AFAERN CC(=O)[C@H]1C[C@@H]2C=CC[C@@H](C2)C1 1649134 571780899 /nfs/dbraw/zinc/78/08/99/571780899.db2.gz REOSYUVIORPZPL-VWYCJHECSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1c(C)c(C)c2c(c1C)CC[C@H]2O 1765637 571783310 /nfs/dbraw/zinc/78/33/10/571783310.db2.gz NBYLPWUUJFFHPU-GFCCVEGCSA-N 0 0 190.286 2.900 10 0 AFAERN CC1(C)[C@H]2C=CC[C@@H]1C2 1685182 571780991 /nfs/dbraw/zinc/78/09/91/571780991.db2.gz SUEFRHDDZDWKFN-JGVFFNPUSA-N 0 0 122.211 2.609 10 0 AFAERN C/C=C/C=C\NC(=O)OC(C)(C)C 39094428 571781046 /nfs/dbraw/zinc/78/10/46/571781046.db2.gz XUKALTRSOXMVKA-MDAAKZFYSA-N 0 0 183.251 2.601 10 0 AFAERN CCCCOCCC(=O)C1CCC1 687800825 571781047 /nfs/dbraw/zinc/78/10/47/571781047.db2.gz YANYKDNFAJPLRR-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN Cc1ccc(CC2(O)CCCC2)cc1 37463356 571781079 /nfs/dbraw/zinc/78/10/79/571781079.db2.gz MIBQHFBRMXYIPX-UHFFFAOYSA-N 0 0 190.286 2.843 10 0 AFAERN CN[C@H](c1cscc1C)C(F)F 687721965 571781140 /nfs/dbraw/zinc/78/11/40/571781140.db2.gz MSWSWSPDWDEABG-SSDOTTSWSA-N 0 0 191.246 2.582 10 0 AFAERN C[C@@](O)(Cc1ccc(F)cc1)C1CC1 37463697 571781238 /nfs/dbraw/zinc/78/12/38/571781238.db2.gz CUPPHSDDUSRRLU-GFCCVEGCSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cccc(F)c1N 234142068 571781356 /nfs/dbraw/zinc/78/13/56/571781356.db2.gz MADSYPLOHCSCSP-XVKPBYJWSA-N 0 0 194.253 2.618 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1cccc(C)c1N 234141901 571781400 /nfs/dbraw/zinc/78/14/00/571781400.db2.gz KARDQYMBRPKAKC-ONGXEEELSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@](C)(O)Cc1ccccc1C 37463581 571781449 /nfs/dbraw/zinc/78/14/49/571781449.db2.gz NCWHQEUHOLCMAQ-LBPRGKRZSA-N 0 0 178.275 2.699 10 0 AFAERN OC/C=C(/F)c1ccc(Cl)cc1 116860693 571781582 /nfs/dbraw/zinc/78/15/82/571781582.db2.gz LVXHOCZGJJRCOB-WEVVVXLNSA-N 0 0 186.613 2.643 10 0 AFAERN CC1(C)CCC(=O)C(C)(C)C1 116809508 571782049 /nfs/dbraw/zinc/78/20/49/571782049.db2.gz SCJYXDQKNWQQBN-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN C/C(=C\Br)COC(C)C 1683066 571782119 /nfs/dbraw/zinc/78/21/19/571782119.db2.gz JFQBDIJIHIRNHE-QPJJXVBHSA-N 0 0 193.084 2.710 10 0 AFAERN O=C1c2ccccc2[C@H]2CCC[C@H]12 1766164 571783369 /nfs/dbraw/zinc/78/33/69/571783369.db2.gz FXTMTYSWYBRYPJ-KOLCDFICSA-N 0 0 172.227 2.767 10 0 AFAERN CCC(=O)C/C=C\CC1(O)CCCC1 39112555 571782327 /nfs/dbraw/zinc/78/23/27/571782327.db2.gz AHEXEMQURRZWMO-ARJAWSKDSA-N 0 0 196.290 2.607 10 0 AFAERN C=Cc1cn(Cc2ccccc2)cn1 143169802 571782365 /nfs/dbraw/zinc/78/23/65/571782365.db2.gz FVWVRPCBPJOCPV-UHFFFAOYSA-N 0 0 184.242 2.574 10 0 AFAERN CC[C@@H]1NC(=O)C[C@H]1[C@H](C)CC(C)C 301010003 571782382 /nfs/dbraw/zinc/78/23/82/571782382.db2.gz YOQAOQFBDLUIDA-VWYCJHECSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H]1NC(=O)C[C@H]1[C@@H](C)CC(C)C 301010000 571782406 /nfs/dbraw/zinc/78/24/06/571782406.db2.gz YOQAOQFBDLUIDA-DCAQKATOSA-N 0 0 197.322 2.583 10 0 AFAERN CCC/C=C\CC(=O)C(F)(F)F 39128036 571782427 /nfs/dbraw/zinc/78/24/27/571782427.db2.gz DKLPBDAVNHENCW-PLNGDYQASA-N 0 0 180.169 2.864 10 0 AFAERN Cc1ccc(CCF)cc1 1726701 571782478 /nfs/dbraw/zinc/78/24/78/571782478.db2.gz PLFWJOGWUGKZHU-UHFFFAOYSA-N 0 0 138.185 2.507 10 0 AFAERN C/C=C1\CC(COC)(COC)C[C@@H]1C 39112644 571783383 /nfs/dbraw/zinc/78/33/83/571783383.db2.gz IEAFBTVZVSBJSZ-XXNJBDPSSA-N 0 0 198.306 2.642 10 0 AFAERN CC[C@@H]1NC(=O)C[C@@H]1[C@@H](C)CC(C)C 301009999 571782637 /nfs/dbraw/zinc/78/26/37/571782637.db2.gz YOQAOQFBDLUIDA-AXFHLTTASA-N 0 0 197.322 2.583 10 0 AFAERN CSCCC(C)(C)C 1720050 571782681 /nfs/dbraw/zinc/78/26/81/571782681.db2.gz KGKNTQSTLKJVGQ-UHFFFAOYSA-N 0 0 132.272 2.786 10 0 AFAERN CCOCc1cc(C)c(O)c(C)c1 1716986 571782693 /nfs/dbraw/zinc/78/26/93/571782693.db2.gz KAQRKQRTMLHHLL-UHFFFAOYSA-N 0 0 180.247 2.546 10 0 AFAERN C[C@H]1CC[C@@H](Nc2ccccc2)CO1 335655873 571782728 /nfs/dbraw/zinc/78/27/28/571782728.db2.gz LTANFZISBBRKJU-CMPLNLGQSA-N 0 0 191.274 2.666 10 0 AFAERN CCCC/C=C/[C@@H](O)CC 1765502 571782829 /nfs/dbraw/zinc/78/28/29/571782829.db2.gz FXQKOHVMBAZJDX-FLOXNTQESA-N 0 0 142.242 2.504 10 0 AFAERN CC(=O)c1cc(C)cc(C)c1 100220002 571782879 /nfs/dbraw/zinc/78/28/79/571782879.db2.gz YKXAZMMCWSLVRW-UHFFFAOYSA-N 0 0 148.205 2.832 10 0 AFAERN C=C/C=C\OC[C@H]1CCCC[C@H]1CO 39117556 571784445 /nfs/dbraw/zinc/78/44/45/571784445.db2.gz MFNPLMBBLGXKAG-QPZKUJRSSA-N 0 0 196.290 2.501 10 0 AFAERN C/C=C1\CC(COC)(COC)C[C@H]1C 39112645 571782901 /nfs/dbraw/zinc/78/29/01/571782901.db2.gz IEAFBTVZVSBJSZ-QZULDAKNSA-N 0 0 198.306 2.642 10 0 AFAERN COc1ccc2cnccc2c1Cl 140105159 571782935 /nfs/dbraw/zinc/78/29/35/571782935.db2.gz FIERDMLAPYQXPH-UHFFFAOYSA-N 0 0 193.633 2.897 10 0 AFAERN O=C1c2ccccc2[C@@H]2CCC[C@@H]12 1766158 571782993 /nfs/dbraw/zinc/78/29/93/571782993.db2.gz FXTMTYSWYBRYPJ-GXSJLCMTSA-N 0 0 172.227 2.767 10 0 AFAERN CCCC(=O)O[C@H]1CCC[C@@H]1C 39111875 571783022 /nfs/dbraw/zinc/78/30/22/571783022.db2.gz QVOMPQNXNSNAGE-IUCAKERBSA-N 0 0 170.252 2.518 10 0 AFAERN C[C@@]12CCCC[C@H]1CCC(=O)C2 1715024 571783299 /nfs/dbraw/zinc/78/32/99/571783299.db2.gz IDMWZWSMOJZNAC-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN C1CCC(C2CC2)CC1 1765369 571783303 /nfs/dbraw/zinc/78/33/03/571783303.db2.gz WVCCJPYDXBIIIJ-UHFFFAOYSA-N 0 0 124.227 2.977 10 0 AFAERN C[C@]12CCCC[C@H]1CCC(=O)C2 1715023 571783209 /nfs/dbraw/zinc/78/32/09/571783209.db2.gz IDMWZWSMOJZNAC-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@]12CCCCC1=C[C@H](O)CC2 1765169 571783413 /nfs/dbraw/zinc/78/34/13/571783413.db2.gz ZRALQUNYQUFRDO-GHMZBOCLSA-N 0 0 166.264 2.648 10 0 AFAERN CC/C=C\C1CCC(O)CC1 143093163 571783431 /nfs/dbraw/zinc/78/34/31/571783431.db2.gz PVBHPIAZDXEIHI-ARJAWSKDSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H]1CC[C@H](Nc2ccccc2)CO1 335655875 571783464 /nfs/dbraw/zinc/78/34/64/571783464.db2.gz LTANFZISBBRKJU-PWSUYJOCSA-N 0 0 191.274 2.666 10 0 AFAERN CC[C@H]1C[C@@H]1Nc1ccc(N)c(C)c1 234140840 571783496 /nfs/dbraw/zinc/78/34/96/571783496.db2.gz JVHSHJRQTYMPTP-CABZTGNLSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H](NN)c1ccc(Cl)cc1C 233893052 571783524 /nfs/dbraw/zinc/78/35/24/571783524.db2.gz WGYPWDKONXLYBY-SNVBAGLBSA-N 0 0 198.697 2.563 10 0 AFAERN CC[C@]1(C)CCO/C1=C/Cl 140113736 571783553 /nfs/dbraw/zinc/78/35/53/571783553.db2.gz DNPBKGUBUGCUMM-HYDMIIDASA-N 0 0 160.644 2.903 10 0 AFAERN C[C@]12CCCC[C@@H]1CCC(=O)C2 1715025 571783578 /nfs/dbraw/zinc/78/35/78/571783578.db2.gz IDMWZWSMOJZNAC-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN CCc1ccc(C(C)=O)cc1 100219999 571783659 /nfs/dbraw/zinc/78/36/59/571783659.db2.gz LBVCYCMJWSXQHU-UHFFFAOYSA-N 0 0 148.205 2.778 10 0 AFAERN CC(=O)[C@@H]1CCc2c1[nH]c1ccccc21 39112679 571783776 /nfs/dbraw/zinc/78/37/76/571783776.db2.gz ZWYIZHYMDKEMAC-VIFPVBQESA-N 0 0 199.253 2.787 10 0 AFAERN Cc1ccc(N)c(C)c1-n1cccc1 37484003 571783824 /nfs/dbraw/zinc/78/38/24/571783824.db2.gz KDZCUGDTBHKWGZ-UHFFFAOYSA-N 0 0 186.258 2.676 10 0 AFAERN CCSC(=O)Nc1cccc(O)c1 1756468 571783836 /nfs/dbraw/zinc/78/38/36/571783836.db2.gz INSBZUICPCZNTB-UHFFFAOYSA-N 0 0 197.259 2.677 10 0 AFAERN CCCC/C=C/[C@H](O)CC 1765499 571783852 /nfs/dbraw/zinc/78/38/52/571783852.db2.gz FXQKOHVMBAZJDX-FCZSHJHJSA-N 0 0 142.242 2.504 10 0 AFAERN CCCC[C@@]12C[C@@H]1CCCC2=O 1717796 571783908 /nfs/dbraw/zinc/78/39/08/571783908.db2.gz GUFZLOJEFFCOEF-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN CCOC(=O)/C=C/C=C1CCCC1 143160843 571783977 /nfs/dbraw/zinc/78/39/77/571783977.db2.gz LKTINYWJNVANNJ-WEVVVXLNSA-N 0 0 180.247 2.606 10 0 AFAERN c1ccc2cc3c(cc2c1)COC3 140107169 571784065 /nfs/dbraw/zinc/78/40/65/571784065.db2.gz XOAKIGCCKYBOMR-UHFFFAOYSA-N 0 0 170.211 2.870 10 0 AFAERN CCc1cc(C=O)c(CC)s1 140107284 571784081 /nfs/dbraw/zinc/78/40/81/571784081.db2.gz XMSQYRJAKAMFAO-UHFFFAOYSA-N 0 0 168.261 2.685 10 0 AFAERN CCc1ccc(OC)cc1CC 1722874 571784091 /nfs/dbraw/zinc/78/40/91/571784091.db2.gz NMNUEYURXQWXPB-UHFFFAOYSA-N 0 0 164.248 2.820 10 0 AFAERN CCCC[C@]12C[C@H]1CCCC2=O 1717793 571784156 /nfs/dbraw/zinc/78/41/56/571784156.db2.gz GUFZLOJEFFCOEF-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@@H](O)Cc1ccc(C)cc1Cl 233893842 571784197 /nfs/dbraw/zinc/78/41/97/571784197.db2.gz JZCIPWMGZJHNOR-SNVBAGLBSA-N 0 0 198.693 2.962 10 0 AFAERN C[C@@]12CCCCC1=C[C@@H](O)CC2 1765173 571784231 /nfs/dbraw/zinc/78/42/31/571784231.db2.gz ZRALQUNYQUFRDO-QWRGUYRKSA-N 0 0 166.264 2.648 10 0 AFAERN C=C=CCCCC 1729052 571784279 /nfs/dbraw/zinc/78/42/79/571784279.db2.gz OEMWTWLQGRYBGM-UHFFFAOYSA-N 0 0 96.173 2.518 10 0 AFAERN C[C@]12CCCCC1=C[C@@H](O)CC2 1765171 571784431 /nfs/dbraw/zinc/78/44/31/571784431.db2.gz ZRALQUNYQUFRDO-WDEREUQCSA-N 0 0 166.264 2.648 10 0 AFAERN CC12CCC(Cl)(CC1)CC2=O 1756131 571784467 /nfs/dbraw/zinc/78/44/67/571784467.db2.gz IKFKGXNAOAQQIR-UHFFFAOYSA-N 0 0 172.655 2.517 10 0 AFAERN O=C1c2ccccc2[C@@H]2CCC[C@H]12 1766160 571784491 /nfs/dbraw/zinc/78/44/91/571784491.db2.gz FXTMTYSWYBRYPJ-ONGXEEELSA-N 0 0 172.227 2.767 10 0 AFAERN CCc1ccc(C2(O)CC(C)C2)cc1 234159608 571786571 /nfs/dbraw/zinc/78/65/71/571786571.db2.gz MHJMOVPPTIAJBM-UHFFFAOYSA-N 0 0 190.286 2.867 10 0 AFAERN Cc1c(C)c(C)c2c(c1C)CC[C@@H]2O 1765636 571784598 /nfs/dbraw/zinc/78/45/98/571784598.db2.gz NBYLPWUUJFFHPU-LBPRGKRZSA-N 0 0 190.286 2.900 10 0 AFAERN C[C@H]1CC[C@H](Nc2ccccc2)CO1 335655874 571784645 /nfs/dbraw/zinc/78/46/45/571784645.db2.gz LTANFZISBBRKJU-JQWIXIFHSA-N 0 0 191.274 2.666 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)C1CCC1 301013772 571784677 /nfs/dbraw/zinc/78/46/77/571784677.db2.gz ZFYWIPYJPOYPQL-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H]1C[C@@H]1n1c(C)cc(C=O)c1C 234161540 571784862 /nfs/dbraw/zinc/78/48/62/571784862.db2.gz IJNSULQPTVXNCX-JQWIXIFHSA-N 0 0 191.274 2.888 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)C1CCC1 301013774 571784895 /nfs/dbraw/zinc/78/48/95/571784895.db2.gz ZFYWIPYJPOYPQL-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN O=C1c2ccccc2[C@H]2CCC[C@@H]12 1766163 571784930 /nfs/dbraw/zinc/78/49/30/571784930.db2.gz FXTMTYSWYBRYPJ-MWLCHTKSSA-N 0 0 172.227 2.767 10 0 AFAERN CCOC(=O)CC1=CC[C@@H](C)C1(C)C 39112571 571784984 /nfs/dbraw/zinc/78/49/84/571784984.db2.gz IALZHXSAHFSUIU-SECBINFHSA-N 0 0 196.290 2.932 10 0 AFAERN Cc1ncc(C)c2c(O)cccc12 27417734 571785056 /nfs/dbraw/zinc/78/50/56/571785056.db2.gz MNTWLRIHWPKOEL-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)c1cccnc1 301014298 571785103 /nfs/dbraw/zinc/78/51/03/571785103.db2.gz ZHRLTMNBZDHXOY-ZYHUDNBSSA-N 0 0 193.290 2.797 10 0 AFAERN C[C@]1(CCc2ccccc2)C[C@@H]1CO 39148310 571785854 /nfs/dbraw/zinc/78/58/54/571785854.db2.gz DZDIWKDXKXDZDF-OLZOCXBDSA-N 0 0 190.286 2.638 10 0 AFAERN CC(C)C[C@H](C)C[C@@H]1CCCNC1=O 301011643 571785226 /nfs/dbraw/zinc/78/52/26/571785226.db2.gz YXKNNTFDZVPHTD-QWRGUYRKSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)C1CCC1 301013773 571785346 /nfs/dbraw/zinc/78/53/46/571785346.db2.gz ZFYWIPYJPOYPQL-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1c[nH]c(=S)n1[C@H]1C[C@@H]1CC 234166853 571785542 /nfs/dbraw/zinc/78/55/42/571785542.db2.gz XREGKGAIJROTCU-CBAPKCEASA-N 0 0 196.319 2.705 10 0 AFAERN C(=C\c1cccnn1)\c1ccsc1 379387422 571785916 /nfs/dbraw/zinc/78/59/16/571785916.db2.gz HHGSDUDYZGNXAO-ARJAWSKDSA-N 0 0 188.255 2.709 10 0 AFAERN CCC[C@H](CCO)C(C)(C)C 35060875 571785919 /nfs/dbraw/zinc/78/59/19/571785919.db2.gz JNBWOHHOZSSXLY-SECBINFHSA-N 0 0 158.285 2.831 10 0 AFAERN CC(C)(C)Nc1ccc(O)cc1 37594054 571785939 /nfs/dbraw/zinc/78/59/39/571785939.db2.gz GQAOJCJXXMCHMX-UHFFFAOYSA-N 0 0 165.236 2.603 10 0 AFAERN CC[C@@H](O)CCCOC(C)(C)CC 233899709 571785972 /nfs/dbraw/zinc/78/59/72/571785972.db2.gz HSTGGKLAWINRAB-SNVBAGLBSA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)C[C@H](C)C[C@H]1CCCNC1=O 301011644 571786175 /nfs/dbraw/zinc/78/61/75/571786175.db2.gz YXKNNTFDZVPHTD-WDEREUQCSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@H](C)Cn1ccc(=O)cc1 301012179 571786187 /nfs/dbraw/zinc/78/61/87/571786187.db2.gz ZAAFPEKWEBMKBE-NSHDSACASA-N 0 0 193.290 2.531 10 0 AFAERN CCCCCC[C@@H](F)C(C)=O 39125415 571786291 /nfs/dbraw/zinc/78/62/91/571786291.db2.gz GUIKMOFSQXZSBE-SECBINFHSA-N 0 0 160.232 2.884 10 0 AFAERN Cc1coc2c1C(=O)CCC2(C)C 140155635 571786361 /nfs/dbraw/zinc/78/63/61/571786361.db2.gz HRRNTPZRMNMUOL-UHFFFAOYSA-N 0 0 178.231 2.842 10 0 AFAERN CCc1nc(CC(C)C)cc(=S)[nH]1 234166959 571786431 /nfs/dbraw/zinc/78/64/31/571786431.db2.gz ORFZXIXWMVENNH-UHFFFAOYSA-N 0 0 196.319 2.526 10 0 AFAERN CCCc1cncc(Cl)c1 37594126 571786452 /nfs/dbraw/zinc/78/64/52/571786452.db2.gz AIUVMIBSBKZPLR-UHFFFAOYSA-N 0 0 155.628 2.688 10 0 AFAERN CCOC(C)(C)c1ccccc1 1995210 571786458 /nfs/dbraw/zinc/78/64/58/571786458.db2.gz JNPNJMJXGPZCNE-UHFFFAOYSA-N 0 0 164.248 2.958 10 0 AFAERN CCc1occc1C(=O)C(C)C 234164137 571786464 /nfs/dbraw/zinc/78/64/64/571786464.db2.gz ALTCRGOZDOQFKY-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN CC(C)(C)CCCC(=O)CF 39125435 571786624 /nfs/dbraw/zinc/78/66/24/571786624.db2.gz IIMGZNWWKZMGPL-UHFFFAOYSA-N 0 0 160.232 2.741 10 0 AFAERN CC(C)C[C@@H](C)C[C@@H]1CCCNC1=O 301011642 571786774 /nfs/dbraw/zinc/78/67/74/571786774.db2.gz YXKNNTFDZVPHTD-MNOVXSKESA-N 0 0 197.322 2.585 10 0 AFAERN CCCCOC(C)(C)Br 140191181 571786851 /nfs/dbraw/zinc/78/68/51/571786851.db2.gz MMXCPASMLPEMGU-UHFFFAOYSA-N 0 0 195.100 2.934 10 0 AFAERN CCc1cccc(C2(O)CC(C)C2)c1 234169350 571786859 /nfs/dbraw/zinc/78/68/59/571786859.db2.gz IPZYTLREHWXGRV-UHFFFAOYSA-N 0 0 190.286 2.867 10 0 AFAERN CC(C)C[C@H](C)CC(=O)C(F)F 301012181 571787052 /nfs/dbraw/zinc/78/70/52/571787052.db2.gz ZABPARFVZAEDOC-ZETCQYMHSA-N 0 0 178.222 2.893 10 0 AFAERN CC(C)(C)C[C@@H]1CCC[C@H](O)C1 143183026 571787143 /nfs/dbraw/zinc/78/71/43/571787143.db2.gz APTWNSZAYHBFOE-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1C[C@@H](C(C)=O)C1(C)C 1996265 571787145 /nfs/dbraw/zinc/78/71/45/571787145.db2.gz XNOFWVNVNSRMKB-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CCCCCC(C)=O 100216485 571787177 /nfs/dbraw/zinc/78/71/77/571787177.db2.gz BMPQHCWCMWIDHD-VOTSOKGWSA-N 0 0 114.188 2.638 10 0 AFAERN Cc1cccc(N2CC3CC(C3)C2)c1 214501215 571787194 /nfs/dbraw/zinc/78/71/94/571787194.db2.gz DCCXYVLTAZDOTH-UHFFFAOYSA-N 0 0 187.286 2.841 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)C1CCC1 301013771 571787264 /nfs/dbraw/zinc/78/72/64/571787264.db2.gz ZFYWIPYJPOYPQL-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN ONc1ccc2ccccc2c1 1845977 571787266 /nfs/dbraw/zinc/78/72/66/571787266.db2.gz JGXYZXHJZJYHPW-UHFFFAOYSA-N 0 0 159.188 2.641 10 0 AFAERN CCc1occc1C(=O)C1CCC1 234164544 571787335 /nfs/dbraw/zinc/78/73/35/571787335.db2.gz WBMRIKNZXJPPRS-UHFFFAOYSA-N 0 0 178.231 2.825 10 0 AFAERN Cc1ccc(CC(C)C)cc1O 143125648 571787497 /nfs/dbraw/zinc/78/74/97/571787497.db2.gz NLPUTSPZIWYSHU-UHFFFAOYSA-N 0 0 164.248 2.899 10 0 AFAERN Nc1ccc2c3c([nH]c2c1)CCCC3 1998095 571787505 /nfs/dbraw/zinc/78/75/05/571787505.db2.gz RCZBVAYCYKDHCO-UHFFFAOYSA-N 0 0 186.258 2.629 10 0 AFAERN CCc1cc(SC)ccc1OC 37628304 571787642 /nfs/dbraw/zinc/78/76/42/571787642.db2.gz XWEICQIRXZMHPN-UHFFFAOYSA-N 0 0 182.288 2.980 10 0 AFAERN CC[C@@H](O)CC[C@@H]1CCC(F)(F)C1 301016195 571787682 /nfs/dbraw/zinc/78/76/82/571787682.db2.gz YQSWXCOIZLFZTK-RKDXNWHRSA-N 0 0 192.249 2.973 10 0 AFAERN C/C=C\CC(=S)N(CC)CC 39124592 571787755 /nfs/dbraw/zinc/78/77/55/571787755.db2.gz WAUQSXFJSIPDIG-DAXSKMNVSA-N 0 0 171.309 2.622 10 0 AFAERN CCCCOC[C@@H](C)CC 140165490 571787785 /nfs/dbraw/zinc/78/77/85/571787785.db2.gz ZDKMWZZHCGSIRZ-VIFPVBQESA-N 0 0 144.258 2.849 10 0 in-vitro AFAERN CC[C@H](O)CC[C@@H]1CCC(F)(F)C1 301016189 571787863 /nfs/dbraw/zinc/78/78/63/571787863.db2.gz YQSWXCOIZLFZTK-BDAKNGLRSA-N 0 0 192.249 2.973 10 0 AFAERN Cc1ccc(N2CC3CC(C3)C2)cc1 214501134 571787872 /nfs/dbraw/zinc/78/78/72/571787872.db2.gz WBHYYJMAAWNYFC-UHFFFAOYSA-N 0 0 187.286 2.841 10 0 AFAERN CCn1cc(C)c2ccccc21 37625191 571787906 /nfs/dbraw/zinc/78/79/06/571787906.db2.gz AADWECDVCQQENZ-UHFFFAOYSA-N 0 0 159.232 2.970 10 0 AFAERN CC(C)C[C@@H](C)CNn1cccc1 301016343 571787928 /nfs/dbraw/zinc/78/79/28/571787928.db2.gz ZROQOMRRHIDXSB-LLVKDONJSA-N 0 0 180.295 2.714 10 0 AFAERN COSc1ccc(C)cc1 1849780 571787962 /nfs/dbraw/zinc/78/79/62/571787962.db2.gz KXXCAPCJZCDOFK-UHFFFAOYSA-N 0 0 154.234 2.649 10 0 AFAERN CC[C@@H](Nc1cc(C)cnn1)C(C)C 233899328 571787963 /nfs/dbraw/zinc/78/79/63/571787963.db2.gz XBQIONSICJDHCH-SNVBAGLBSA-N 0 0 193.294 2.632 10 0 AFAERN CCCc1c(C)[nH]c(C)c1C 37624116 571787982 /nfs/dbraw/zinc/78/79/82/571787982.db2.gz IOYQNNLLTFCOAJ-UHFFFAOYSA-N 0 0 151.253 2.892 10 0 AFAERN CC[C@@H]1C[C@H](C(C)=O)C1(C)C 1996267 571788016 /nfs/dbraw/zinc/78/80/16/571788016.db2.gz XNOFWVNVNSRMKB-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1c(C)n(C)c2ccccc12 1995084 571788020 /nfs/dbraw/zinc/78/80/20/571788020.db2.gz NRRVOLSTQHJDEG-UHFFFAOYSA-N 0 0 159.232 2.795 10 0 AFAERN CC[C@@H](O)CC[C@H]1CCC(F)(F)C1 301016191 571788093 /nfs/dbraw/zinc/78/80/93/571788093.db2.gz YQSWXCOIZLFZTK-DTWKUNHWSA-N 0 0 192.249 2.973 10 0 AFAERN CCCCOC[C@H](C)CC 140165631 571788142 /nfs/dbraw/zinc/78/81/42/571788142.db2.gz ZDKMWZZHCGSIRZ-SECBINFHSA-N 0 0 144.258 2.849 10 0 in-vitro AFAERN CCC(=O)[C@]1(OC)CCC[C@@H]1CC 687801433 571788270 /nfs/dbraw/zinc/78/82/70/571788270.db2.gz IMIRDJPRKQZWIO-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@H]1CCC2(C1)SCCS2 2017976 571789416 /nfs/dbraw/zinc/78/94/16/571789416.db2.gz CSTSWMJZGAQCGE-SSDOTTSWSA-N 0 0 174.334 2.983 10 0 AFAERN CC[C@@H]1COC(=O)N1C1=CCCCC1 140143241 571788439 /nfs/dbraw/zinc/78/84/39/571788439.db2.gz DUPWUHXSQSJAGB-SECBINFHSA-N 0 0 195.262 2.675 10 0 AFAERN CCc1[nH]c(C)c(CC)c1C 37624101 571788440 /nfs/dbraw/zinc/78/84/40/571788440.db2.gz WHXPOUICMNZIRZ-UHFFFAOYSA-N 0 0 151.253 2.756 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)c1cccnc1 301014291 571788451 /nfs/dbraw/zinc/78/84/51/571788451.db2.gz ZHRLTMNBZDHXOY-CMPLNLGQSA-N 0 0 193.290 2.797 10 0 AFAERN CCC(=O)C(Cl)(Cl)CC 2035962 571788477 /nfs/dbraw/zinc/78/84/77/571788477.db2.gz ZQBGKIGYOVBXJP-UHFFFAOYSA-N 0 0 169.051 2.549 10 0 AFAERN CN(C#N)c1cccc2ccccc12 37624949 571788561 /nfs/dbraw/zinc/78/85/61/571788561.db2.gz BTKHOAUKROJSTQ-UHFFFAOYSA-N 0 0 182.226 2.757 10 0 AFAERN CCC(=O)c1c(CC)[nH]c(C)c1C 37624406 571788631 /nfs/dbraw/zinc/78/86/31/571788631.db2.gz CIKBKTIRTWXFHZ-UHFFFAOYSA-N 0 0 179.263 2.787 10 0 AFAERN CCCc1c(C)c[nH]c1CC 37624121 571788641 /nfs/dbraw/zinc/78/86/41/571788641.db2.gz VIJAILOYNAWLLZ-UHFFFAOYSA-N 0 0 151.253 2.838 10 0 AFAERN CCCc1cc(C)[nH]c1C 37624112 571788681 /nfs/dbraw/zinc/78/86/81/571788681.db2.gz ZKRYBNONABOQAV-UHFFFAOYSA-N 0 0 137.226 2.584 10 0 AFAERN OCCCCC(Cl)(Cl)Cl 37623967 571788688 /nfs/dbraw/zinc/78/86/88/571788688.db2.gz RFBXGJAHBNTASQ-UHFFFAOYSA-N 0 0 191.485 2.519 10 0 AFAERN CCC(=O)[C@]1(OC)CCC[C@H]1CC 687801431 571788760 /nfs/dbraw/zinc/78/87/60/571788760.db2.gz IMIRDJPRKQZWIO-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccc(Nc2ccccc2N)cn1 39213872 571788769 /nfs/dbraw/zinc/78/87/69/571788769.db2.gz UGRDNGOYQOPSJU-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cc1cc(C(C)C)c(C)[nH]1 37624114 571788785 /nfs/dbraw/zinc/78/87/85/571788785.db2.gz IOQCZQBAWQNBHA-UHFFFAOYSA-N 0 0 137.226 2.755 10 0 AFAERN CC(C)C[C@H](C)CNn1cccc1 301016344 571788926 /nfs/dbraw/zinc/78/89/26/571788926.db2.gz ZROQOMRRHIDXSB-NSHDSACASA-N 0 0 180.295 2.714 10 0 AFAERN CCC[C@](C)(O)C[C@H](C)CC 39218387 571788944 /nfs/dbraw/zinc/78/89/44/571788944.db2.gz QJVDAQVYZBSYCB-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@H](O)CC[C@H]1CCC(F)(F)C1 301016193 571788947 /nfs/dbraw/zinc/78/89/47/571788947.db2.gz YQSWXCOIZLFZTK-IUCAKERBSA-N 0 0 192.249 2.973 10 0 AFAERN CCCC(CCC)[C@@H](C)O 2005266 571790204 /nfs/dbraw/zinc/79/02/04/571790204.db2.gz JXZORDPWPPTAMR-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@@H](C)C(=O)[C@@H]1CCSC1 69984048 571790212 /nfs/dbraw/zinc/79/02/12/571790212.db2.gz RKSRAOWCNGTERQ-RKDXNWHRSA-N 0 0 186.320 2.745 10 0 AFAERN CC(C)CO[C@@H]1CC1(Cl)Cl 2019154 571789134 /nfs/dbraw/zinc/78/91/34/571789134.db2.gz SCYFBLJDIAZTIO-ZCFIWIBFSA-N 0 0 183.078 2.605 10 0 AFAERN CCC(=O)[C@@]1(OC)CCC[C@H]1CC 687801432 571789188 /nfs/dbraw/zinc/78/91/88/571789188.db2.gz IMIRDJPRKQZWIO-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)(C)c1ccc2oc(=O)oc2c1 2003019 571790213 /nfs/dbraw/zinc/79/02/13/571790213.db2.gz KLQJKXDFHGURBO-UHFFFAOYSA-N 0 0 192.214 2.684 10 0 AFAERN CCc1c(C)[nH]c2ccc(O)cc12 37625363 571789240 /nfs/dbraw/zinc/78/92/40/571789240.db2.gz RZXREQQGQSDIOZ-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN C=C/C=C/C=C\C[C@@H](O)CCC 143211955 571789243 /nfs/dbraw/zinc/78/92/43/571789243.db2.gz YAWVREQAXOUSRY-XSNLPNCASA-N 0 0 166.264 2.836 10 0 AFAERN C[C@H]1CCC(=O)CC(C)(C)C1 37634138 571790217 /nfs/dbraw/zinc/79/02/17/571790217.db2.gz HNZBTZAZHHJOBM-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1cc(Cl)cc(C)c1O 2004631 571789282 /nfs/dbraw/zinc/78/92/82/571789282.db2.gz UAZSNTRHVDOYOW-UHFFFAOYSA-N 0 0 170.639 2.916 10 0 AFAERN CC[C@H](C)OCO[C@@H](C)CC 2036045 571789324 /nfs/dbraw/zinc/78/93/24/571789324.db2.gz YJBUXLCNFNPNEB-IUCAKERBSA-N 0 0 160.257 2.574 10 0 AFAERN CC(C)CO[C@H]1CC1(Cl)Cl 2019153 571789360 /nfs/dbraw/zinc/78/93/60/571789360.db2.gz SCYFBLJDIAZTIO-LURJTMIESA-N 0 0 183.078 2.605 10 0 AFAERN CC(C)(C)CC(=O)[C@H]1CCSC1 69984036 571789374 /nfs/dbraw/zinc/78/93/74/571789374.db2.gz AJHWDYUGUSIRKP-QMMMGPOBSA-N 0 0 186.320 2.745 10 0 AFAERN CC1=C[C@H](C)C[C@H](C)C1 2039240 571789398 /nfs/dbraw/zinc/78/93/98/571789398.db2.gz PKHOIUJRGGWFEF-CBAPKCEASA-N 0 0 124.227 2.999 10 0 AFAERN CCCCO[C@H](C)CCC 2032503 571789406 /nfs/dbraw/zinc/78/94/06/571789406.db2.gz PSYBYBKGIJCLDM-SECBINFHSA-N 0 0 144.258 2.992 10 0 AFAERN Cc1nc(-c2cncs2)cs1 140149710 571789447 /nfs/dbraw/zinc/78/94/47/571789447.db2.gz KZOJSQDHXQZLTN-UHFFFAOYSA-N 0 0 182.273 2.575 10 0 AFAERN c1ccc2c(c1)[nH]c1ccoc12 37625174 571789515 /nfs/dbraw/zinc/78/95/15/571789515.db2.gz HOOUZIRMRBQJEQ-UHFFFAOYSA-N 0 0 157.172 2.914 10 0 AFAERN CCC[C@@H](C)C(=O)[C@H]1CCSC1 69984053 571789564 /nfs/dbraw/zinc/78/95/64/571789564.db2.gz RKSRAOWCNGTERQ-BDAKNGLRSA-N 0 0 186.320 2.745 10 0 AFAERN CCC(=O)[C@@]1(OC)CCC[C@@H]1CC 687801430 571789589 /nfs/dbraw/zinc/78/95/89/571789589.db2.gz IMIRDJPRKQZWIO-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)c1cccnc1 301014295 571789600 /nfs/dbraw/zinc/78/96/00/571789600.db2.gz ZHRLTMNBZDHXOY-PWSUYJOCSA-N 0 0 193.290 2.797 10 0 AFAERN CCc1[nH]c(C)c(C)c1CC 37624099 571789682 /nfs/dbraw/zinc/78/96/82/571789682.db2.gz PSZNMFYRQSWJJW-UHFFFAOYSA-N 0 0 151.253 2.756 10 0 AFAERN CCc1cc(OC)ccc1SC 37628310 571789709 /nfs/dbraw/zinc/78/97/09/571789709.db2.gz OKYUGTJXDSQBTK-UHFFFAOYSA-N 0 0 182.288 2.980 10 0 AFAERN Cc1cc(-c2csc(C)n2)c[nH]1 27629466 571789710 /nfs/dbraw/zinc/78/97/10/571789710.db2.gz BIZKSGYXSKWWKJ-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN CC(=O)[C@@H]1CC=C(C)C1(C)C 2037775 571789713 /nfs/dbraw/zinc/78/97/13/571789713.db2.gz YXGUBJPWGFKWQA-VIFPVBQESA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)C[C@@H](C)SC(C)(C)C 2031899 571789756 /nfs/dbraw/zinc/78/97/56/571789756.db2.gz LNSBZYQEMVAVAI-MRVPVSSYSA-N 0 0 174.309 2.886 10 0 AFAERN CCC/C=C/Cl 2016187 571789776 /nfs/dbraw/zinc/78/97/76/571789776.db2.gz NKNYZKFBNQUWTM-SNAWJCMRSA-N 0 0 104.580 2.539 10 0 AFAERN CC(C)(C)CC(=O)[C@@H]1CCSC1 69984034 571789792 /nfs/dbraw/zinc/78/97/92/571789792.db2.gz AJHWDYUGUSIRKP-MRVPVSSYSA-N 0 0 186.320 2.745 10 0 AFAERN CCc1c[nH]c(CC)c1CC 37624087 571789816 /nfs/dbraw/zinc/78/98/16/571789816.db2.gz BCJDIVMDBVOWSM-UHFFFAOYSA-N 0 0 151.253 2.702 10 0 AFAERN CO[C@H](C[C@H](C(C)=O)C(C)C)C1CC1 400306245 571789843 /nfs/dbraw/zinc/78/98/43/571789843.db2.gz RPPKDCZRNNDCOK-NWDGAFQWSA-N 0 0 198.306 2.663 10 0 AFAERN CC(=O)CCCCCCCF 2034825 571789869 /nfs/dbraw/zinc/78/98/69/571789869.db2.gz XTJMCCGLJYOBSF-UHFFFAOYSA-N 0 0 160.232 2.886 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)c1cccnc1 301014293 571789911 /nfs/dbraw/zinc/78/99/11/571789911.db2.gz ZHRLTMNBZDHXOY-JQWIXIFHSA-N 0 0 193.290 2.797 10 0 AFAERN C/C=C/[C@@](O)(CC)C(C)(C)C 143261640 571789982 /nfs/dbraw/zinc/78/99/82/571789982.db2.gz AEUASJGKPJCGNK-PCGIRMHASA-N 0 0 156.269 2.750 10 0 AFAERN CC(=O)[C@H]1CC=C(C)C1(C)C 2037776 571789988 /nfs/dbraw/zinc/78/99/88/571789988.db2.gz YXGUBJPWGFKWQA-SECBINFHSA-N 0 0 152.237 2.568 10 0 AFAERN C[C@H]1CC(=O)Cc2cc(Cl)ccc21 140271555 571790032 /nfs/dbraw/zinc/79/00/32/571790032.db2.gz PGDHHCIZOPWTJZ-ZETCQYMHSA-N 0 0 194.661 2.959 10 0 AFAERN CCn1c(C)cc2nc3ccccc3n21 39233458 571790099 /nfs/dbraw/zinc/79/00/99/571790099.db2.gz RFJCGNOPAVDMQM-UHFFFAOYSA-N 0 0 199.257 2.617 10 0 AFAERN CCCCOc1ccc(NC)cc1 2015074 571790195 /nfs/dbraw/zinc/79/01/95/571790195.db2.gz YSYJCSBOFKEZMR-UHFFFAOYSA-N 0 0 179.263 2.907 10 0 AFAERN Cc1coc2c1C(=O)C(C)(C)CC2 140150423 571790267 /nfs/dbraw/zinc/79/02/67/571790267.db2.gz CMRREKNXISOCNA-UHFFFAOYSA-N 0 0 178.231 2.743 10 0 AFAERN CCc1cc(-c2ccc[nH]2)ccc1N 234183782 571790292 /nfs/dbraw/zinc/79/02/92/571790292.db2.gz ZAIKBXRGBKHHRP-UHFFFAOYSA-N 0 0 186.258 2.826 10 0 AFAERN CCOC(=O)C[C@H](F)c1ccccc1 39247458 571790372 /nfs/dbraw/zinc/79/03/72/571790372.db2.gz BCLAZJYJFNWGQF-JTQLQIEISA-N 0 0 196.221 2.650 10 0 AFAERN Cc1cccc(-c2ncccc2N)c1C 71507722 571790389 /nfs/dbraw/zinc/79/03/89/571790389.db2.gz FRVYYPZJGSAGLD-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCNc1c(N)ccc(C)c1C 140152247 571790416 /nfs/dbraw/zinc/79/04/16/571790416.db2.gz DGTAIUQQFCKCMZ-UHFFFAOYSA-N 0 0 178.279 2.708 10 0 AFAERN CCCCSC[C@@H](C)C(C)=O 39248994 571790679 /nfs/dbraw/zinc/79/06/79/571790679.db2.gz ALMIFTPNTBYXPU-MRVPVSSYSA-N 0 0 174.309 2.745 10 0 AFAERN C=C/C=C/C=C\CC[C@H](O)CC 143211756 571790467 /nfs/dbraw/zinc/79/04/67/571790467.db2.gz RVSSXDRQQQEPDY-XPJHWULBSA-N 0 0 166.264 2.836 10 0 AFAERN CC(C)(C)C1SCCS1 2007970 571790548 /nfs/dbraw/zinc/79/05/48/571790548.db2.gz MAHMEFGWYVMBGW-UHFFFAOYSA-N 0 0 162.323 2.839 10 0 AFAERN CCC(C)(C)C(=O)[C@@H]1CCSC1 69983457 571790584 /nfs/dbraw/zinc/79/05/84/571790584.db2.gz FXQAVZMRGLBEPW-MRVPVSSYSA-N 0 0 186.320 2.745 10 0 AFAERN CCCC(CCC)[C@H](C)O 2005267 571790710 /nfs/dbraw/zinc/79/07/10/571790710.db2.gz JXZORDPWPPTAMR-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN CCC1Cc2ccccc2C1 2002503 571790712 /nfs/dbraw/zinc/79/07/12/571790712.db2.gz WJNBFERHVLTYOV-UHFFFAOYSA-N 0 0 146.233 2.811 10 0 AFAERN COCCC(=O)C[C@@H](C)CC(C)C 301015259 571790760 /nfs/dbraw/zinc/79/07/60/571790760.db2.gz ZMSKPZIQDKFZAK-JTQLQIEISA-N 0 0 186.295 2.664 10 0 AFAERN CCC[C@H](C)C(=O)[C@@H]1CCSC1 69984050 571790780 /nfs/dbraw/zinc/79/07/80/571790780.db2.gz RKSRAOWCNGTERQ-DTWKUNHWSA-N 0 0 186.320 2.745 10 0 AFAERN Oc1ccc2ccncc2c1Cl 37633898 571790787 /nfs/dbraw/zinc/79/07/87/571790787.db2.gz XBYNDCJUZDBRGX-UHFFFAOYSA-N 0 0 179.606 2.594 10 0 AFAERN C[C@H]1CCC2(C1)SCCS2 2017975 571790811 /nfs/dbraw/zinc/79/08/11/571790811.db2.gz CSTSWMJZGAQCGE-ZETCQYMHSA-N 0 0 174.334 2.983 10 0 AFAERN C[C@@H]1CC(=O)Cc2cc(Cl)ccc21 140271398 571790876 /nfs/dbraw/zinc/79/08/76/571790876.db2.gz PGDHHCIZOPWTJZ-SSDOTTSWSA-N 0 0 194.661 2.959 10 0 AFAERN CCCCO[C@@H](C)CCC 2032502 571790891 /nfs/dbraw/zinc/79/08/91/571790891.db2.gz PSYBYBKGIJCLDM-VIFPVBQESA-N 0 0 144.258 2.992 10 0 AFAERN CCCCC(=O)c1ccccc1N 39203807 571790902 /nfs/dbraw/zinc/79/09/02/571790902.db2.gz QXADQQOKBGTSRV-UHFFFAOYSA-N 0 0 177.247 2.642 10 0 AFAERN CCC[C@H](C)C(=O)[C@H]1CCSC1 69984055 571791037 /nfs/dbraw/zinc/79/10/37/571791037.db2.gz RKSRAOWCNGTERQ-IUCAKERBSA-N 0 0 186.320 2.745 10 0 AFAERN c1ccc(CNc2ccco2)cc1 37637124 571791041 /nfs/dbraw/zinc/79/10/41/571791041.db2.gz ARYHUCZYDWUSAA-UHFFFAOYSA-N 0 0 173.215 2.892 10 0 AFAERN CC(C)CCO[C@H]1CC1(Cl)Cl 2020793 571791043 /nfs/dbraw/zinc/79/10/43/571791043.db2.gz JKHDKZYWJAARSO-ZETCQYMHSA-N 0 0 197.105 2.995 10 0 AFAERN Cc1ccc(-c2ncccc2N)c(C)c1 71507721 571791714 /nfs/dbraw/zinc/79/17/14/571791714.db2.gz JQYDTAFLZSGOLS-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cc(Cl)cc2cc(C=O)[nH]c12 37632891 571791715 /nfs/dbraw/zinc/79/17/15/571791715.db2.gz TZGWGTPESUAIQH-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN CCCCO/C=C/Cl 37633641 571791261 /nfs/dbraw/zinc/79/12/61/571791261.db2.gz NFFACRBPFHIDRU-GQCTYLIASA-N 0 0 134.606 2.513 10 0 AFAERN CCCO[C@@](C)(CC1CC1)C(C)=O 687801111 571791312 /nfs/dbraw/zinc/79/13/12/571791312.db2.gz IIVFMNIWLGILET-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCc1ccc(-c2ncccc2N)cc1 71507717 571791338 /nfs/dbraw/zinc/79/13/38/571791338.db2.gz FIOLNZQRYGGHGN-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CCC(C)(C)C(=O)[C@H]1CCSC1 69983461 571791364 /nfs/dbraw/zinc/79/13/64/571791364.db2.gz FXQAVZMRGLBEPW-QMMMGPOBSA-N 0 0 186.320 2.745 10 0 AFAERN C[C@H](C1CC1)[C@H](O)C1CCCCC1 140202362 571791384 /nfs/dbraw/zinc/79/13/84/571791384.db2.gz NTQWEMDZIMVWGP-SKDRFNHKSA-N 0 0 182.307 2.974 10 0 AFAERN C1CCc2c([nH]c3c2CCCC3)C1 37637903 571791491 /nfs/dbraw/zinc/79/14/91/571791491.db2.gz BKHWUYCOIGYJIZ-UHFFFAOYSA-N 0 0 175.275 2.772 10 0 AFAERN CCCC[C@@H](O)COc1ccccc1 39208723 571791630 /nfs/dbraw/zinc/79/16/30/571791630.db2.gz GNEGLLQWTFDPJK-LLVKDONJSA-N 0 0 194.274 2.617 10 0 AFAERN Cc1cc(Cl)cc2cc(CO)[nH]c12 37632815 571791776 /nfs/dbraw/zinc/79/17/76/571791776.db2.gz BVAPJEXDWCHORA-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN C[C@H]1CC(=O)CCC(C)(C)C1 37634142 571792054 /nfs/dbraw/zinc/79/20/54/571792054.db2.gz DIXFJWMIUSSKNT-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(Cl)c2[nH]c(CO)cc2c1 37632813 571792235 /nfs/dbraw/zinc/79/22/35/571792235.db2.gz SCWCKYKPJDPMMX-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CCCCC/C(C)=C/CCO 39257015 571792384 /nfs/dbraw/zinc/79/23/84/571792384.db2.gz YCYWLDQPQJYEHO-CSKARUKUSA-N 0 0 156.269 2.895 10 0 AFAERN C/C=C/CCc1cccnc1 37632969 571792489 /nfs/dbraw/zinc/79/24/89/571792489.db2.gz BNPWCYRRMHJXIW-NSCUHMNNSA-N 0 0 147.221 2.590 10 0 AFAERN CCCCC(C(=O)CCC)=C(C)O 37634075 571792585 /nfs/dbraw/zinc/79/25/85/571792585.db2.gz VWYXDYPMXXVYBI-JTQLQIEISA-N 0 0 184.279 2.751 10 0 AFAERN CCCCCCn1c(C)cccc1=O 71505688 571792596 /nfs/dbraw/zinc/79/25/96/571792596.db2.gz QGPBRUHRLQBOQO-UHFFFAOYSA-N 0 0 193.290 2.737 10 0 AFAERN CCCO[C@](C)(CC1CC1)C(C)=O 687801110 571792666 /nfs/dbraw/zinc/79/26/66/571792666.db2.gz IIVFMNIWLGILET-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)Nc1c(C)ccc(Cl)c1C 37631281 571792805 /nfs/dbraw/zinc/79/28/05/571792805.db2.gz GLFIBYFBMLUJQT-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN Cc1nc(Cl)c2ccccc2c1O 37638667 571792830 /nfs/dbraw/zinc/79/28/30/571792830.db2.gz HPQCFLDZJGGYGY-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1ccc(-c2ncccc2N)cc1C 71507720 571792981 /nfs/dbraw/zinc/79/29/81/571792981.db2.gz CQIDETKSVJTKAK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCn1cnnc1C1(C)CCCCC1 234182851 571793044 /nfs/dbraw/zinc/79/30/44/571793044.db2.gz VGJUQIPXNXHAFP-UHFFFAOYSA-N 0 0 193.294 2.520 10 0 AFAERN COCCC(=O)C[C@H](C)CC(C)C 301015261 571793129 /nfs/dbraw/zinc/79/31/29/571793129.db2.gz ZMSKPZIQDKFZAK-SNVBAGLBSA-N 0 0 186.295 2.664 10 0 AFAERN O=C1COC[C@@H]1CCC1CCCCC1 710862000 571793217 /nfs/dbraw/zinc/79/32/17/571793217.db2.gz CACRVPIIQDQKFX-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN CC(C)(C)c1ccc2[nH][nH]c(=O)c2c1 116864553 571793233 /nfs/dbraw/zinc/79/32/33/571793233.db2.gz XJKIXKXWLMZFSU-UHFFFAOYSA-N 0 0 190.246 2.566 10 0 AFAERN CC(C)CN(C)c1cc(N)cc(F)c1 37667943 571796760 /nfs/dbraw/zinc/79/67/60/571796760.db2.gz LKCOIZHGGMCQKV-UHFFFAOYSA-N 0 0 196.269 2.500 10 0 AFAERN O=C1COC[C@H]1CCC1CCCCC1 710861996 571793622 /nfs/dbraw/zinc/79/36/22/571793622.db2.gz CACRVPIIQDQKFX-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN CC[C@@H](C)S[C@H]1CCCC[C@@H]1O 37697105 571796767 /nfs/dbraw/zinc/79/67/67/571796767.db2.gz VTPGYACBVSYOLO-UTLUCORTSA-N 0 0 188.336 2.822 10 0 AFAERN CCc1ccnc2c(O)cccc12 116907315 571793808 /nfs/dbraw/zinc/79/38/08/571793808.db2.gz OAHVCZMUVMVSTN-UHFFFAOYSA-N 0 0 173.215 2.503 10 0 AFAERN CC(C)CS[C@H]1CCCC[C@H]1O 37696943 571793954 /nfs/dbraw/zinc/79/39/54/571793954.db2.gz TWLJQOUBSDWTNN-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN CCC[C@@H](CCO)c1ccccc1 39234358 571794201 /nfs/dbraw/zinc/79/42/01/571794201.db2.gz MJKGALITXAJUIT-NSHDSACASA-N 0 0 178.275 2.953 10 0 AFAERN CC[C@H](CO)C[C@@H]1CCC(F)(F)C1 301017638 571794231 /nfs/dbraw/zinc/79/42/31/571794231.db2.gz ZBFLOUVULDKYRX-IUCAKERBSA-N 0 0 192.249 2.830 10 0 AFAERN CC[C@@H](CO)C[C@@H]1CCC(F)(F)C1 301017636 571794306 /nfs/dbraw/zinc/79/43/06/571794306.db2.gz ZBFLOUVULDKYRX-BDAKNGLRSA-N 0 0 192.249 2.830 10 0 AFAERN CC[C@@H](C)[C@](C)(O)CC(C)C 37745622 571800031 /nfs/dbraw/zinc/80/00/31/571800031.db2.gz RCSCLTAIPNDFGC-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)[C@H](C)Nc1cc(N)cc(F)c1 37666763 571794925 /nfs/dbraw/zinc/79/49/25/571794925.db2.gz AJFVOQXLSWIGFX-QMMMGPOBSA-N 0 0 196.269 2.864 10 0 AFAERN Cc1c[nH]c2c(=O)oc3ccccc3c12 39235065 571794950 /nfs/dbraw/zinc/79/49/50/571794950.db2.gz LTXNKEIDTAFKFJ-UHFFFAOYSA-N 0 0 199.209 2.583 10 0 AFAERN CC[C@@H](C)Cc1ccc(O)cc1O 140287985 571795196 /nfs/dbraw/zinc/79/51/96/571795196.db2.gz MMSMCOPGAWAMKI-MRVPVSSYSA-N 0 0 180.247 2.686 10 0 AFAERN Cc1c(O)cc(C(C)C)cc1N(C)C 140295211 571795267 /nfs/dbraw/zinc/79/52/67/571795267.db2.gz DMGUYBWFTXQOBF-UHFFFAOYSA-N 0 0 193.290 2.890 10 0 AFAERN CC(=O)[C@@H](C)CCC=C(C)C 2197184 571795323 /nfs/dbraw/zinc/79/53/23/571795323.db2.gz SSAUUPMMKRJNMJ-VIFPVBQESA-N 0 0 154.253 2.958 10 0 AFAERN CC(C)CS[C@@H]1CCCC[C@@H]1O 37696940 571795358 /nfs/dbraw/zinc/79/53/58/571795358.db2.gz TWLJQOUBSDWTNN-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@H](N(C)CC(F)(F)F)C(C)(C)C 687801295 571795385 /nfs/dbraw/zinc/79/53/85/571795385.db2.gz LFXPVHXIDLVLAV-ZETCQYMHSA-N 0 0 197.244 2.915 10 0 AFAERN CC(=O)[C@H](C)CCC=C(C)C 2197185 571795395 /nfs/dbraw/zinc/79/53/95/571795395.db2.gz SSAUUPMMKRJNMJ-SECBINFHSA-N 0 0 154.253 2.958 10 0 AFAERN CC1CC(O)(C[C@@H](C)CC(F)F)C1 710865713 571795447 /nfs/dbraw/zinc/79/54/47/571795447.db2.gz DPHZTQUXEVXVAP-JEUQWKINSA-N 0 0 192.249 2.829 10 0 AFAERN Cc1ccc(C)c(-n2cc(C)cn2)c1 37676736 571795578 /nfs/dbraw/zinc/79/55/78/571795578.db2.gz NIXZHCWLBFXANS-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN Cc1ccc2c(c1)C[C@@H](C)CC2=O 116882559 571795861 /nfs/dbraw/zinc/79/58/61/571795861.db2.gz VUXBRWVTUAAEFX-SECBINFHSA-N 0 0 174.243 2.760 10 0 AFAERN CC[C@H](CO)C[C@H]1CCC(F)(F)C1 301017637 571795924 /nfs/dbraw/zinc/79/59/24/571795924.db2.gz ZBFLOUVULDKYRX-DTWKUNHWSA-N 0 0 192.249 2.830 10 0 AFAERN CCCCNc1cc(N)cc(F)c1 37666706 571795940 /nfs/dbraw/zinc/79/59/40/571795940.db2.gz PEHKOJPNOALRQX-UHFFFAOYSA-N 0 0 182.242 2.620 10 0 AFAERN CC(C)CS[C@H]1CCCC[C@@H]1O 37696941 571795963 /nfs/dbraw/zinc/79/59/63/571795963.db2.gz TWLJQOUBSDWTNN-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@H](O)CNc1ccc(Cl)cc1 37688536 571795980 /nfs/dbraw/zinc/79/59/80/571795980.db2.gz JHGWUGQEENZKNE-JTQLQIEISA-N 0 0 199.681 2.523 10 0 AFAERN Cc1ccc2c(c1)C[C@H](C)CC2=O 116882557 571796072 /nfs/dbraw/zinc/79/60/72/571796072.db2.gz VUXBRWVTUAAEFX-VIFPVBQESA-N 0 0 174.243 2.760 10 0 AFAERN CC[C@H](C)Cc1ccc(O)cc1O 140288130 571796154 /nfs/dbraw/zinc/79/61/54/571796154.db2.gz MMSMCOPGAWAMKI-QMMMGPOBSA-N 0 0 180.247 2.686 10 0 AFAERN CCCc1cccc(NC(C)=O)c1 116875715 571796339 /nfs/dbraw/zinc/79/63/39/571796339.db2.gz FNMCYNUGQOZFMM-UHFFFAOYSA-N 0 0 177.247 2.598 10 0 AFAERN CC(C)CCNc1cc(N)cc(F)c1 37666715 571796587 /nfs/dbraw/zinc/79/65/87/571796587.db2.gz GLTQMPLPXZGNAX-UHFFFAOYSA-N 0 0 196.269 2.866 10 0 AFAERN CC1CC(O)(C[C@H](C)CC(F)F)C1 710865715 571796743 /nfs/dbraw/zinc/79/67/43/571796743.db2.gz DPHZTQUXEVXVAP-ZNFPMYQNSA-N 0 0 192.249 2.829 10 0 AFAERN O=C1[C@H]2CC[C@H](C2)C12CCCC2 116885545 571796788 /nfs/dbraw/zinc/79/67/88/571796788.db2.gz ZYECBPXIFZTZEJ-DTWKUNHWSA-N 0 0 164.248 2.546 10 0 AFAERN Oc1ccccc1Oc1ccncc1 37674570 571797025 /nfs/dbraw/zinc/79/70/25/571797025.db2.gz LWGOXQVQMKMUAE-UHFFFAOYSA-N 0 0 187.198 2.580 10 0 AFAERN CC[C@@H](CO)C[C@H]1CCC(F)(F)C1 301017640 571797056 /nfs/dbraw/zinc/79/70/56/571797056.db2.gz ZBFLOUVULDKYRX-RKDXNWHRSA-N 0 0 192.249 2.830 10 0 AFAERN C[C@@H](N(C)CC(F)(F)F)C(C)(C)C 687801294 571797147 /nfs/dbraw/zinc/79/71/47/571797147.db2.gz LFXPVHXIDLVLAV-SSDOTTSWSA-N 0 0 197.244 2.915 10 0 AFAERN CC(C)CS[C@@H]1CCCC[C@H]1O 37696942 571797151 /nfs/dbraw/zinc/79/71/51/571797151.db2.gz TWLJQOUBSDWTNN-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN Nc1sc2c(c1Cl)CCCC2 214509790 571797748 /nfs/dbraw/zinc/79/77/48/571797748.db2.gz FIOOUNAPAITUJM-UHFFFAOYSA-N 0 0 187.695 2.863 10 0 AFAERN CCc1ccccc1NCC(F)F 37755797 571798030 /nfs/dbraw/zinc/79/80/30/571798030.db2.gz VNKBOAMTPVTGLS-UHFFFAOYSA-N 0 0 185.217 2.926 10 0 AFAERN CN[C@@H](CCC(C)(C)C)C(F)F 234450257 571798194 /nfs/dbraw/zinc/79/81/94/571798194.db2.gz XQNQFMAWUJZTNW-ZETCQYMHSA-N 0 0 179.254 2.666 10 0 AFAERN CC[C@H](C)[C@@](C)(O)CC(C)C 37745625 571798477 /nfs/dbraw/zinc/79/84/77/571798477.db2.gz RCSCLTAIPNDFGC-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)C(=O)C[C@@H]1C=CCCC1 116879428 571798513 /nfs/dbraw/zinc/79/85/13/571798513.db2.gz FRYPVPSZBLBALO-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@H](C)[C@](C)(O)CC(C)C 37745623 571798820 /nfs/dbraw/zinc/79/88/20/571798820.db2.gz RCSCLTAIPNDFGC-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CC[P@]1(=O)OC(C)=CC1(C)C 2391369 571799011 /nfs/dbraw/zinc/79/90/11/571799011.db2.gz JSVNEWGMBZPMFU-NSHDSACASA-N 0 0 174.180 2.997 10 0 AFAERN CCC[C@@H]1OCCC2(CCCC2)O1 2450771 571799390 /nfs/dbraw/zinc/79/93/90/571799390.db2.gz JZOYAJJJDYZGDM-SNVBAGLBSA-N 0 0 184.279 2.862 10 0 AFAERN CC(C)/C=C\Br 71624130 571799388 /nfs/dbraw/zinc/79/93/88/571799388.db2.gz OZAGLZYGLSIUTG-ARJAWSKDSA-N 0 0 149.031 2.551 10 0 AFAERN CC[C@@H](C)[C@@H]1C(=O)Nc2ccccc21 206344863 571799504 /nfs/dbraw/zinc/79/95/04/571799504.db2.gz DCRSWHHNGRFMII-KCJUWKMLSA-N 0 0 189.258 2.768 10 0 AFAERN S=c1[nH]ncn1CCC1CCCC1 37741497 571799570 /nfs/dbraw/zinc/79/95/70/571799570.db2.gz NBMPMBBGCZKXNU-UHFFFAOYSA-N 0 0 197.307 2.521 10 0 AFAERN Fc1ncccc1NCC1CCCC1 401389884 571799649 /nfs/dbraw/zinc/79/96/49/571799649.db2.gz BMYDOUDFQOBHLA-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN CCC[C@H]1OCCC2(CCCC2)O1 2450770 571799738 /nfs/dbraw/zinc/79/97/38/571799738.db2.gz JZOYAJJJDYZGDM-JTQLQIEISA-N 0 0 184.279 2.862 10 0 AFAERN CC[C@@H](C)[C@H]1C(=O)Nc2ccccc21 206344826 571800000 /nfs/dbraw/zinc/80/00/00/571800000.db2.gz DCRSWHHNGRFMII-LDYMZIIASA-N 0 0 189.258 2.768 10 0 AFAERN C/C(=C/[Si](C)(C)C(C)(C)C)CO 205193351 571808839 /nfs/dbraw/zinc/80/88/39/571808839.db2.gz MYVANWTUTDGUMP-HJWRWDBZSA-N 0 0 186.371 2.973 10 0 AFAERN Cc1ccc([C@H]2CC[C@H](O)[C@H]2C)cc1 227280738 571800506 /nfs/dbraw/zinc/80/05/06/571800506.db2.gz BIOGFKVECJHEIH-DRZSPHRISA-N 0 0 190.286 2.869 10 0 AFAERN CCC1=CCC[C@@H]1C 2600035 571800748 /nfs/dbraw/zinc/80/07/48/571800748.db2.gz BZNZWJRSMCINQO-ZETCQYMHSA-N 0 0 110.200 2.753 10 0 AFAERN CCCC[C@@H](C)F 2578891 571800808 /nfs/dbraw/zinc/80/08/08/571800808.db2.gz KDSVEERUTJJIEW-ZCFIWIBFSA-N 0 0 104.168 2.535 10 0 AFAERN C[C@](O)(CCC1CC1)CC1CC1 235723296 571800995 /nfs/dbraw/zinc/80/09/95/571800995.db2.gz APZQCOOMGJVYGK-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H](Cc1ccccc1)C(C)=O 34616272 571801178 /nfs/dbraw/zinc/80/11/78/571801178.db2.gz ZOEPLCFBQKQFDO-GFCCVEGCSA-N 0 0 176.259 2.844 10 0 AFAERN C[C@](O)(CCC1CC1)c1ccoc1 235723979 571801237 /nfs/dbraw/zinc/80/12/37/571801237.db2.gz ZXQMIOKAOBSIOF-NSHDSACASA-N 0 0 180.247 2.677 10 0 AFAERN CCOC(=O)/C=C/CC(CC)CC 21988585 571801408 /nfs/dbraw/zinc/80/14/08/571801408.db2.gz FWSLDTMHZIXDDH-VQHVLOKHSA-N 0 0 184.279 2.932 10 0 AFAERN CC[C@@H](C)Nc1cccc2n[nH]cc12 37783894 571801531 /nfs/dbraw/zinc/80/15/31/571801531.db2.gz QBEQKYRZHZIOMC-MRVPVSSYSA-N 0 0 189.262 2.773 10 0 AFAERN CC(=O)[C@H]1CC2(C)CCC1CC2 206336665 571802175 /nfs/dbraw/zinc/80/21/75/571802175.db2.gz IGJJJWASWGMKCP-HSOILSAZSA-N 0 0 166.264 2.792 10 0 AFAERN CCOC(C)(C)C(=O)CC1=CCCC1 401104628 571802181 /nfs/dbraw/zinc/80/21/81/571802181.db2.gz LSCBNOWZSNSCPE-UHFFFAOYSA-N 0 0 196.290 2.871 10 0 AFAERN CC[C@H](C)Nc1cccc2n[nH]cc12 37783895 571802379 /nfs/dbraw/zinc/80/23/79/571802379.db2.gz QBEQKYRZHZIOMC-QMMMGPOBSA-N 0 0 189.262 2.773 10 0 AFAERN CCOC(=O)Oc1cc(C)ccc1C 21994364 571803684 /nfs/dbraw/zinc/80/36/84/571803684.db2.gz DWGYEAXOTVJMEQ-UHFFFAOYSA-N 0 0 194.230 2.839 10 0 AFAERN CCCC(CCC)n1ccc(N)n1 71978670 571803713 /nfs/dbraw/zinc/80/37/13/571803713.db2.gz ZTRDUZMIDXWMNA-UHFFFAOYSA-N 0 0 181.283 2.607 10 0 AFAERN CC[C@@H](C)c1ccncc1 34581652 571803716 /nfs/dbraw/zinc/80/37/16/571803716.db2.gz HGMLMFWWXQNLLV-MRVPVSSYSA-N 0 0 135.210 2.595 10 0 AFAERN C[C@@H]1OC=Cc2ccccc21 20983116 571803456 /nfs/dbraw/zinc/80/34/56/571803456.db2.gz WHGBNFULEZIUEW-QMMMGPOBSA-N 0 0 146.189 2.749 10 0 AFAERN CC1=CC(=C(C)C)C=C1 2583430 571803984 /nfs/dbraw/zinc/80/39/84/571803984.db2.gz HDHYMLWPVAELKP-UHFFFAOYSA-N 0 0 120.195 2.839 10 0 AFAERN c1ccc([C@@H]2OCCCS2)cc1 2578713 571804262 /nfs/dbraw/zinc/80/42/62/571804262.db2.gz VODVZRLXEOFQDT-SNVBAGLBSA-N 0 0 180.272 2.839 10 0 AFAERN CC[C@H](C)CC(=O)[C@@H]1CCOC[C@@H]1C 301025146 571804809 /nfs/dbraw/zinc/80/48/09/571804809.db2.gz PALGDRYMQCKRML-GARJFASQSA-N 0 0 198.306 2.664 10 0 AFAERN CC(=O)[C@@H]1CC2(C)CCC1CC2 206336632 571804837 /nfs/dbraw/zinc/80/48/37/571804837.db2.gz IGJJJWASWGMKCP-YVNMAJEFSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H](CC1OCCO1)c1ccccc1 3164765 571808854 /nfs/dbraw/zinc/80/88/54/571808854.db2.gz ZGLFBEXSTYWJSR-SNVBAGLBSA-N 0 0 192.258 2.553 10 0 AFAERN CC[C@H]([NH3+])c1csc(CC(C)C)n1 74236893 571805466 /nfs/dbraw/zinc/80/54/66/571805466.db2.gz DGKZMWKPIGOBHQ-QMMMGPOBSA-N 0 0 198.335 2.751 10 0 AFAERN CCCCC[C@](C)(O)C(C)(C)OC 301022627 571805649 /nfs/dbraw/zinc/80/56/49/571805649.db2.gz QMDXIWGQXAGJJA-NSHDSACASA-N 0 0 188.311 2.743 10 0 AFAERN Cc1cc(C)cc(-c2ccncc2N)c1 74237602 571806063 /nfs/dbraw/zinc/80/60/63/571806063.db2.gz VXPCMCNKDADZMK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC[C@H](C)CC(=O)[C@H]1CCOC[C@@H]1C 301025144 571806428 /nfs/dbraw/zinc/80/64/28/571806428.db2.gz PALGDRYMQCKRML-DCAQKATOSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@@H]([NH3+])c1csc(CC(C)C)n1 74236894 571806550 /nfs/dbraw/zinc/80/65/50/571806550.db2.gz DGKZMWKPIGOBHQ-MRVPVSSYSA-N 0 0 198.335 2.751 10 0 AFAERN CCCC(=O)[C@@]1(OC)CC[C@H](CC)C1 687722523 571809978 /nfs/dbraw/zinc/80/99/78/571809978.db2.gz OXRVTRAYCSLCJU-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCOCCC(=O)CCCC 687722413 571806880 /nfs/dbraw/zinc/80/68/80/571806880.db2.gz IATDEYWFJDFGCN-UHFFFAOYSA-N 0 0 186.295 2.953 10 0 AFAERN CCCCC[C@@](C)(O)C(C)(C)OC 301022626 571807479 /nfs/dbraw/zinc/80/74/79/571807479.db2.gz QMDXIWGQXAGJJA-LLVKDONJSA-N 0 0 188.311 2.743 10 0 AFAERN Cc1cccc(-c2ccncc2N)c1C 74237607 571807605 /nfs/dbraw/zinc/80/76/05/571807605.db2.gz ZAFSORILTPJPBW-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC=CNc1ccccc1 143435594 571807786 /nfs/dbraw/zinc/80/77/86/571807786.db2.gz CMQVWUDDPJCWLD-WAPJZHGLSA-N 0 0 133.194 2.632 10 0 AFAERN CC[C@H](C)CC(=O)[C@@H]1CCOC[C@H]1C 301025217 571807808 /nfs/dbraw/zinc/80/78/08/571807808.db2.gz PALGDRYMQCKRML-HBNTYKKESA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@](C)(c1ccccc1)[C@@H](C)O 3137146 571807895 /nfs/dbraw/zinc/80/78/95/571807895.db2.gz WWZFAVRTEAYKIM-PWSUYJOCSA-N 0 0 178.275 2.735 10 0 AFAERN CC[C@@](C)(c1ccccc1)[C@H](C)O 3137147 571807971 /nfs/dbraw/zinc/80/79/71/571807971.db2.gz WWZFAVRTEAYKIM-CMPLNLGQSA-N 0 0 178.275 2.735 10 0 AFAERN OCC12CCC3C[C@@H](C[C@@H](C3)C1)C2 3181874 571807978 /nfs/dbraw/zinc/80/79/78/571807978.db2.gz RAQYEUXLRLMEQO-WSVSKBAQSA-N 0 0 180.291 2.585 10 0 AFAERN CC[C@H](C)CC(=O)[C@H]1CCOC[C@H]1C 301025142 571808154 /nfs/dbraw/zinc/80/81/54/571808154.db2.gz PALGDRYMQCKRML-AXFHLTTASA-N 0 0 198.306 2.664 10 0 AFAERN CCCCCC[C@H](C)[C@@H](C)O 3137265 571808273 /nfs/dbraw/zinc/80/82/73/571808273.db2.gz QCBDLZKDRUKOFS-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN Cc1cc2cc(C3(O)CC3)ccc2o1 214517612 571808371 /nfs/dbraw/zinc/80/83/71/571808371.db2.gz PLOVEDFIJJNBPE-UHFFFAOYSA-N 0 0 188.226 2.723 10 0 AFAERN CC[C@@](C)(c1ccccc1)[C@@H](C)O 3137145 571808799 /nfs/dbraw/zinc/80/87/99/571808799.db2.gz WWZFAVRTEAYKIM-ZYHUDNBSSA-N 0 0 178.275 2.735 10 0 AFAERN CC[C@](C)(c1ccccc1)[C@H](C)O 3137148 571809522 /nfs/dbraw/zinc/80/95/22/571809522.db2.gz WWZFAVRTEAYKIM-JQWIXIFHSA-N 0 0 178.275 2.735 10 0 AFAERN CCCC(=O)[C@@]1(OC)CC[C@@H](CC)C1 687722531 571809561 /nfs/dbraw/zinc/80/95/61/571809561.db2.gz OXRVTRAYCSLCJU-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CCc1cc(O)ccc1SC 34765888 571810265 /nfs/dbraw/zinc/81/02/65/571810265.db2.gz DVQAFBRTUVSZHA-UHFFFAOYSA-N 0 0 168.261 2.677 10 0 AFAERN CCCC(=O)[C@]1(OC)CC[C@@H](CC)C1 687722529 571810302 /nfs/dbraw/zinc/81/03/02/571810302.db2.gz OXRVTRAYCSLCJU-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC(=O)NCCCCC(C)C 74600188 571810354 /nfs/dbraw/zinc/81/03/54/571810354.db2.gz WXXQGURQQJNSLO-UHFFFAOYSA-N 0 0 185.311 2.729 10 0 AFAERN CNC(=O)CCCCCC(C)(C)C 113289986 571810663 /nfs/dbraw/zinc/81/06/63/571810663.db2.gz NPGPTUUNZYOKIM-UHFFFAOYSA-N 0 0 185.311 2.729 10 0 AFAERN CO[C@@H](C[C@@H]1CCCCC1=O)C1CC1 400296934 571810711 /nfs/dbraw/zinc/81/07/11/571810711.db2.gz NSURWHOVJKBNEB-JQWIXIFHSA-N 0 0 196.290 2.561 10 0 AFAERN CO[C@H](C[C@H]1CCCCC1=O)C1CC1 400296937 571811010 /nfs/dbraw/zinc/81/10/10/571811010.db2.gz NSURWHOVJKBNEB-ZYHUDNBSSA-N 0 0 196.290 2.561 10 0 AFAERN CCCC(=O)[C@]1(OC)CC[C@H](CC)C1 687722528 571811020 /nfs/dbraw/zinc/81/10/20/571811020.db2.gz OXRVTRAYCSLCJU-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(CC)C(=O)[C@@H]1CCOC[C@@H]1C 301028004 571811107 /nfs/dbraw/zinc/81/11/07/571811107.db2.gz QEQYRIHJTRJGLV-GXSJLCMTSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@]12CCC[C@@H]1CCCCC2=O 3593652 571811591 /nfs/dbraw/zinc/81/15/91/571811591.db2.gz LPDMHSMXAWSDBI-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CO[C@@H](C[C@H]1CCCCC1=O)C1CC1 400296935 571811861 /nfs/dbraw/zinc/81/18/61/571811861.db2.gz NSURWHOVJKBNEB-PWSUYJOCSA-N 0 0 196.290 2.561 10 0 AFAERN CCOC(=O)NCCCCC(C)C 74600212 571812003 /nfs/dbraw/zinc/81/20/03/571812003.db2.gz DCZAGCICJUXOOF-UHFFFAOYSA-N 0 0 187.283 2.559 10 0 AFAERN C[C@]12CCC[C@H]1CCCCC2=O 3593648 571812139 /nfs/dbraw/zinc/81/21/39/571812139.db2.gz LPDMHSMXAWSDBI-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc(-c2cc(F)ccn2)sn1 687722625 571812153 /nfs/dbraw/zinc/81/21/53/571812153.db2.gz ARMSISDTTWCGGJ-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CC(C)[C@H]1CN1Cc1ccccc1 38312369 571812269 /nfs/dbraw/zinc/81/22/69/571812269.db2.gz QVESLNYWSYTZLR-PZORYLMUSA-N 0 0 175.275 2.527 10 0 AFAERN CC(C)CCCCNC(=O)C(C)C 74600189 571812320 /nfs/dbraw/zinc/81/23/20/571812320.db2.gz IAGBMDWQMGGEJI-UHFFFAOYSA-N 0 0 185.311 2.585 10 0 AFAERN CCC(CC)C(=O)[C@H]1CCOC[C@@H]1C 301028010 571812331 /nfs/dbraw/zinc/81/23/31/571812331.db2.gz QEQYRIHJTRJGLV-ONGXEEELSA-N 0 0 198.306 2.664 10 0 AFAERN CCC(CC)C(=O)[C@H]1CCOC[C@H]1C 301028006 571812391 /nfs/dbraw/zinc/81/23/91/571812391.db2.gz QEQYRIHJTRJGLV-KOLCDFICSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@@]12CCC[C@@H]1CCCCC2=O 3593653 571812453 /nfs/dbraw/zinc/81/24/53/571812453.db2.gz LPDMHSMXAWSDBI-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN Nc1ccc(-c2ccc(O)cc2)s1 143402783 571812650 /nfs/dbraw/zinc/81/26/50/571812650.db2.gz VDMZHKYURGYMEE-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN CCC(=S)Nc1ccc(F)cc1 3607546 571812666 /nfs/dbraw/zinc/81/26/66/571812666.db2.gz DBYXMRTYUXTSOH-UHFFFAOYSA-N 0 0 183.251 2.975 10 0 AFAERN CC(C)CCCCNC(=O)C(C)(C)C 74600194 571812737 /nfs/dbraw/zinc/81/27/37/571812737.db2.gz YAYQPSYJBYYKHY-UHFFFAOYSA-N 0 0 199.338 2.975 10 0 AFAERN CCC(CC)C(=O)[C@@H]1CCOC[C@H]1C 301028008 571812878 /nfs/dbraw/zinc/81/28/78/571812878.db2.gz QEQYRIHJTRJGLV-MWLCHTKSSA-N 0 0 198.306 2.664 10 0 AFAERN Cc1ccnc2[nH]c(-c3ccco3)nc12 74327188 571813142 /nfs/dbraw/zinc/81/31/42/571813142.db2.gz DLDXSVFMKPEVIM-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN CC[C@]1(O)C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 38301708 571813186 /nfs/dbraw/zinc/81/31/86/571813186.db2.gz BYPKOASIGJWCPQ-ROHXPCBUSA-N 0 0 180.291 2.584 10 0 AFAERN C[C@@]12CCC[C@H]1CCCCC2=O 3593650 571813620 /nfs/dbraw/zinc/81/36/20/571813620.db2.gz LPDMHSMXAWSDBI-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN Oc1cccc(C2SCCS2)c1 3610205 571813769 /nfs/dbraw/zinc/81/37/69/571813769.db2.gz VVMDOOIVBRONTJ-UHFFFAOYSA-N 0 0 198.312 2.871 10 0 AFAERN CC(C)=CC[C@@H](CO)CC(C)C 39341597 571813805 /nfs/dbraw/zinc/81/38/05/571813805.db2.gz BOGOGINLXWWZDJ-LLVKDONJSA-N 0 0 170.296 2.997 10 0 AFAERN COC(C)(C)C[C@@H](O)C1=CCCCC1 234602405 571813831 /nfs/dbraw/zinc/81/38/31/571813831.db2.gz HHWHLIQOGDWKGI-LLVKDONJSA-N 0 0 198.306 2.663 10 0 AFAERN CCC[C@H](C)C[C@H]1CCC[C@H]1O 251341477 571813846 /nfs/dbraw/zinc/81/38/46/571813846.db2.gz OYTMFTIDSPMNGL-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@H](CCC)CCO 35060871 571813883 /nfs/dbraw/zinc/81/38/83/571813883.db2.gz UYZVDMGEEIRMSK-JTQLQIEISA-N 0 0 158.285 2.975 10 0 in-vitro AFAERN CCC[C@H](C)C[C@@H]1CCC[C@H]1O 251341475 571814042 /nfs/dbraw/zinc/81/40/42/571814042.db2.gz OYTMFTIDSPMNGL-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CCCOCCCOc1ccccc1 60049651 571815196 /nfs/dbraw/zinc/81/51/96/571815196.db2.gz CWCLAALVIZCKBJ-UHFFFAOYSA-N 0 0 194.274 2.882 10 0 AFAERN CCC(=O)[C@@H](C)Cc1csc(C)n1 75124142 571815268 /nfs/dbraw/zinc/81/52/68/571815268.db2.gz GOVRMGWCOKFLGW-ZETCQYMHSA-N 0 0 197.303 2.609 10 0 AFAERN CC[C@@H]1C[C@H]1[C@@H](O)CCCC(F)F 687830249 571815740 /nfs/dbraw/zinc/81/57/40/571815740.db2.gz FJRPRESYYUIWHC-HLTSFMKQSA-N 0 0 192.249 2.829 10 0 AFAERN O=Cc1c(Cl)[nH]c2c(F)cccc12 3672883 571816579 /nfs/dbraw/zinc/81/65/79/571816579.db2.gz OSKACBGQORMQQQ-UHFFFAOYSA-N 0 0 197.596 2.773 10 0 AFAERN CCC(CC)c1noc2c1CCN2 3704162 571817421 /nfs/dbraw/zinc/81/74/21/571817421.db2.gz IFVIZNNNUFBXCQ-UHFFFAOYSA-N 0 0 180.251 2.546 10 0 AFAERN CC[C@@H]1C[C@H]1[C@H](O)CCCC(F)F 687830251 571817427 /nfs/dbraw/zinc/81/74/27/571817427.db2.gz FJRPRESYYUIWHC-IWSPIJDZSA-N 0 0 192.249 2.829 10 0 AFAERN CCCCC[C@@H](C)n1nc(N)cc1C 67799423 571817768 /nfs/dbraw/zinc/81/77/68/571817768.db2.gz SNVZCFTVIBUKPO-SECBINFHSA-N 0 0 195.310 2.915 10 0 AFAERN CC1(C[C@@H](O)CCCC(F)F)CC1 687829181 571817848 /nfs/dbraw/zinc/81/78/48/571817848.db2.gz ADUIJAIGNMJFNZ-QMMMGPOBSA-N 0 0 192.249 2.973 10 0 AFAERN CCCC[C@@H](C)CC(=O)OCC 39377315 571818194 /nfs/dbraw/zinc/81/81/94/571818194.db2.gz OTNDYEHGLRZQIN-SECBINFHSA-N 0 0 172.268 2.766 10 0 AFAERN CC1(C[C@H](O)CCCC(F)F)CC1 687829178 571818340 /nfs/dbraw/zinc/81/83/40/571818340.db2.gz ADUIJAIGNMJFNZ-MRVPVSSYSA-N 0 0 192.249 2.973 10 0 AFAERN CCCCC[C@H](C)n1nc(N)cc1C 67799430 571818345 /nfs/dbraw/zinc/81/83/45/571818345.db2.gz SNVZCFTVIBUKPO-VIFPVBQESA-N 0 0 195.310 2.915 10 0 AFAERN Cc1cccc2c(C=O)c(Cl)[nH]c12 3672877 571818550 /nfs/dbraw/zinc/81/85/50/571818550.db2.gz GOVZWJCHJGFNJR-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN Cc1ccc(CCCCO)c(Cl)c1 235750747 571821635 /nfs/dbraw/zinc/82/16/35/571821635.db2.gz YFSAHVOURPWWLP-UHFFFAOYSA-N 0 0 198.693 2.963 10 0 AFAERN CCC(=O)[C@H](C)Cc1csc(C)n1 75124144 571818579 /nfs/dbraw/zinc/81/85/79/571818579.db2.gz GOVRMGWCOKFLGW-SSDOTTSWSA-N 0 0 197.303 2.609 10 0 AFAERN CC[C@@H]1C[C@@H]1[C@@H](O)CCCC(F)F 687830252 571818589 /nfs/dbraw/zinc/81/85/89/571818589.db2.gz FJRPRESYYUIWHC-VGMNWLOBSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@@H]1C[C@@H]1[C@H](O)CCCC(F)F 687830250 571818630 /nfs/dbraw/zinc/81/86/30/571818630.db2.gz FJRPRESYYUIWHC-HRDYMLBCSA-N 0 0 192.249 2.829 10 0 AFAERN CCCCC[C@](C)(O)c1ccns1 401124878 571819276 /nfs/dbraw/zinc/81/92/76/571819276.db2.gz NIVGOEPCFSRSOI-JTQLQIEISA-N 0 0 199.319 2.931 10 0 AFAERN CC[C@H](C)C[C@](C)(O)C(C)(C)OC 301031992 571823622 /nfs/dbraw/zinc/82/36/22/571823622.db2.gz VGSGHTVIDXZMRH-ONGXEEELSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@@H](C)[C@](C)(O)C(C)(C)OC 301030140 571819510 /nfs/dbraw/zinc/81/95/10/571819510.db2.gz ULSJVDRZWKVQMP-KOLCDFICSA-N 0 0 188.311 2.599 10 0 AFAERN Cc1sc(C2(O)CC2)cc1Cl 214537271 571819747 /nfs/dbraw/zinc/81/97/47/571819747.db2.gz BFRSOWAZYIJQNW-UHFFFAOYSA-N 0 0 188.679 2.691 10 0 AFAERN C[C@H]1C(=O)[C@@H]2CCc3ccccc3[C@H]12 227345086 571819967 /nfs/dbraw/zinc/81/99/67/571819967.db2.gz PSEPUYYGNJLEIV-FXAINCCUSA-N 0 0 186.254 2.551 10 0 AFAERN CSc1ccc(C(=O)CC(C)C)[nH]1 75460407 571820261 /nfs/dbraw/zinc/82/02/61/571820261.db2.gz RGGAICXTOKHZHG-UHFFFAOYSA-N 0 0 197.303 2.965 10 0 AFAERN C[C@H](O)C[C@H]1CCCC[C@@H]1C 143485902 571820360 /nfs/dbraw/zinc/82/03/60/571820360.db2.gz JKTHXQDDLMSISR-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CCCOCc1ccc(CC)c(O)c1 75596857 571820466 /nfs/dbraw/zinc/82/04/66/571820466.db2.gz YVCMDYGBUQEKRT-UHFFFAOYSA-N 0 0 194.274 2.881 10 0 AFAERN CCC[C@H](C)[C@](C)(O)C(C)(C)OC 301030142 571820609 /nfs/dbraw/zinc/82/06/09/571820609.db2.gz ULSJVDRZWKVQMP-ONGXEEELSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](C)[C@@](C)(O)C(C)(C)OC 301030139 571820682 /nfs/dbraw/zinc/82/06/82/571820682.db2.gz ULSJVDRZWKVQMP-GXSJLCMTSA-N 0 0 188.311 2.599 10 0 AFAERN CCCCSc1nnc(C(C)C)[nH]1 75312876 571820749 /nfs/dbraw/zinc/82/07/49/571820749.db2.gz MVEBLZOUPPQRKJ-UHFFFAOYSA-N 0 0 199.323 2.820 10 0 AFAERN Nc1sc(Cl)nc1C1CCC1 214537570 571820886 /nfs/dbraw/zinc/82/08/86/571820886.db2.gz YZOAKWFMHXTNSQ-UHFFFAOYSA-N 0 0 188.683 2.646 10 0 AFAERN CC[P@@]1(=O)OC(C)=CC1(C)C 3957842 571821110 /nfs/dbraw/zinc/82/11/10/571821110.db2.gz JSVNEWGMBZPMFU-LLVKDONJSA-N 0 0 174.180 2.997 10 0 AFAERN CC(=O)Cc1sc(C)cc1Cl 214537489 571821158 /nfs/dbraw/zinc/82/11/58/571821158.db2.gz QYQAIXDZQHIGFJ-UHFFFAOYSA-N 0 0 188.679 2.841 10 0 AFAERN Cc1cc(Cl)c(C2(O)CC2)s1 214537338 571821270 /nfs/dbraw/zinc/82/12/70/571821270.db2.gz SJKSEJUAHBKXSS-UHFFFAOYSA-N 0 0 188.679 2.691 10 0 AFAERN CCC[C@@H](C)[C@@](C)(O)C(C)(C)OC 301030141 571821803 /nfs/dbraw/zinc/82/18/03/571821803.db2.gz ULSJVDRZWKVQMP-MWLCHTKSSA-N 0 0 188.311 2.599 10 0 AFAERN CCCCSc1ccc(C=O)o1 75576666 571822244 /nfs/dbraw/zinc/82/22/44/571822244.db2.gz PKLVVVDBVWQKLQ-UHFFFAOYSA-N 0 0 184.260 2.984 10 0 AFAERN C[C@H](O)C[C@@H]1CCCC[C@H]1C 143486100 571822488 /nfs/dbraw/zinc/82/24/88/571822488.db2.gz JKTHXQDDLMSISR-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H](O)C[C@H]1CCCC[C@H]1C 143486312 571822542 /nfs/dbraw/zinc/82/25/42/571822542.db2.gz JKTHXQDDLMSISR-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H](CC(F)F)C[C@@H](O)CC1CC1 687832308 571822899 /nfs/dbraw/zinc/82/28/99/571822899.db2.gz FRZMECIUOSXZHP-IONNQARKSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@@H](CC(F)F)C[C@H](O)CC1CC1 687832297 571823170 /nfs/dbraw/zinc/82/31/70/571823170.db2.gz FRZMECIUOSXZHP-APPZFPTMSA-N 0 0 192.249 2.829 10 0 AFAERN CCC(=O)[C@@H](C)Cc1cccs1 76607283 571823282 /nfs/dbraw/zinc/82/32/82/571823282.db2.gz MJJHMNKMPLTJBK-QMMMGPOBSA-N 0 0 182.288 2.906 10 0 AFAERN C[C@H](CC(F)F)C[C@H](O)CC1CC1 687832305 571823301 /nfs/dbraw/zinc/82/33/01/571823301.db2.gz FRZMECIUOSXZHP-CBAPKCEASA-N 0 0 192.249 2.829 10 0 AFAERN C[C@@H](CC(F)F)C[C@@H](O)CC1CC1 687832311 571823725 /nfs/dbraw/zinc/82/37/25/571823725.db2.gz FRZMECIUOSXZHP-VXNVDRBHSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)c1ccc(/C=C\CO)cc1 77045727 571824564 /nfs/dbraw/zinc/82/45/64/571824564.db2.gz BEGXKHKITNIPEP-ARJAWSKDSA-N 0 0 176.259 2.816 10 0 AFAERN COCCC[C@@H](O)C1=CCCCCC1 234626880 571824732 /nfs/dbraw/zinc/82/47/32/571824732.db2.gz VPSFUKATTYBSSV-GFCCVEGCSA-N 0 0 198.306 2.664 10 0 AFAERN CCC(=O)[C@H](C)Cc1cccs1 76607288 571824908 /nfs/dbraw/zinc/82/49/08/571824908.db2.gz MJJHMNKMPLTJBK-MRVPVSSYSA-N 0 0 182.288 2.906 10 0 AFAERN CC[C@@H](C)C[C@@](C)(O)C(C)(C)OC 301031991 571825148 /nfs/dbraw/zinc/82/51/48/571825148.db2.gz VGSGHTVIDXZMRH-MWLCHTKSSA-N 0 0 188.311 2.599 10 0 AFAERN C[C@@H](/C=C/C[Si](C)(C)C)CCO 205311618 571825369 /nfs/dbraw/zinc/82/53/69/571825369.db2.gz JJMDHKZKCRGMTQ-PORFMDCZSA-N 0 0 186.371 2.899 10 0 AFAERN C[C@@H](CCO)CSc1ccccc1 39617932 571825433 /nfs/dbraw/zinc/82/54/33/571825433.db2.gz PWKGTJOMTQLGPW-JTQLQIEISA-N 0 0 196.315 2.797 10 0 AFAERN CCC/C=C/c1ccccc1CO 39617003 571825832 /nfs/dbraw/zinc/82/58/32/571825832.db2.gz BLIYFZIYSSEOEX-QPJJXVBHSA-N 0 0 176.259 2.992 10 0 AFAERN C[C@H](/C=C/C[Si](C)(C)C)CCO 205311591 571826225 /nfs/dbraw/zinc/82/62/25/571826225.db2.gz JJMDHKZKCRGMTQ-BRAIEQGRSA-N 0 0 186.371 2.899 10 0 AFAERN CC[C@@H](C)C[C@](C)(O)C(C)(C)OC 301031990 571826279 /nfs/dbraw/zinc/82/62/79/571826279.db2.gz VGSGHTVIDXZMRH-KOLCDFICSA-N 0 0 188.311 2.599 10 0 AFAERN CCCC(=O)[C@](C)(CC1CCC1)OC 687802613 571827227 /nfs/dbraw/zinc/82/72/27/571827227.db2.gz XDYFRVJMYMHETE-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@H](CCO)CSc1ccccc1 39617934 571827243 /nfs/dbraw/zinc/82/72/43/571827243.db2.gz PWKGTJOMTQLGPW-SNVBAGLBSA-N 0 0 196.315 2.797 10 0 AFAERN Cl/C=C\COc1ccccc1 78310955 571827442 /nfs/dbraw/zinc/82/74/42/571827442.db2.gz AYSHEHSQGMNMJY-DAXSKMNVSA-N 0 0 168.623 2.818 10 0 AFAERN CCCC(=O)[C@@](C)(CC1CCC1)OC 687802612 571827449 /nfs/dbraw/zinc/82/74/49/571827449.db2.gz XDYFRVJMYMHETE-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN C/C=C\COc1ccc(C(C)=O)cc1 78500230 571828298 /nfs/dbraw/zinc/82/82/98/571828298.db2.gz REUVZTCTXBQZKJ-ARJAWSKDSA-N 0 0 190.242 2.844 10 0 AFAERN CC[C@H]1CCC[C@@H](OC(C)=O)C1 4692334 571827741 /nfs/dbraw/zinc/82/77/41/571827741.db2.gz XMGRFMQQHWTMMJ-VHSXEESVSA-N 0 0 170.252 2.518 10 0 AFAERN CC(=O)C[C@H]1CCC=C[C@@H]1C 4705649 571827743 /nfs/dbraw/zinc/82/77/43/571827743.db2.gz UNSJHQKNEOTFKH-WCBMZHEXSA-N 0 0 152.237 2.568 10 0 AFAERN COCCC[C@H](O)C1=CCCCCC1 234628126 571828272 /nfs/dbraw/zinc/82/82/72/571828272.db2.gz VPSFUKATTYBSSV-LBPRGKRZSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@]1([C@H](O)CCCC(F)F)C[C@@H]1F 687834034 571828493 /nfs/dbraw/zinc/82/84/93/571828493.db2.gz MQNFFQBNFLBEDM-OOZYFLPDSA-N 0 0 196.212 2.531 10 0 AFAERN CC[C@H](CO)Nc1cccc(Cl)c1 38113892 571828564 /nfs/dbraw/zinc/82/85/64/571828564.db2.gz IYAOWCBYONZCHS-SECBINFHSA-N 0 0 199.681 2.523 10 0 AFAERN CC[C@@H](C)C[C@](C)(CC)CO 77993629 571828664 /nfs/dbraw/zinc/82/86/64/571828664.db2.gz DHPXCZQIGRUZAY-ZJUUUORDSA-N 0 0 158.285 2.831 10 0 AFAERN C[C@H]1CCCC(=O)N1C1CCCCC1 687802899 571828809 /nfs/dbraw/zinc/82/88/09/571828809.db2.gz PJZQXCKVOUIALJ-JTQLQIEISA-N 0 0 195.306 2.720 10 0 AFAERN CC[C@H](C)C[C@@](C)(CC)CO 77993627 571829118 /nfs/dbraw/zinc/82/91/18/571829118.db2.gz DHPXCZQIGRUZAY-VHSXEESVSA-N 0 0 158.285 2.831 10 0 AFAERN CC[C@H](C)C[C@](C)(CC)CO 77993630 571829197 /nfs/dbraw/zinc/82/91/97/571829197.db2.gz DHPXCZQIGRUZAY-UWVGGRQHSA-N 0 0 158.285 2.831 10 0 AFAERN CC(C)[C@H]1C(=O)CCC[C@@H]1C 4692346 571829248 /nfs/dbraw/zinc/82/92/48/571829248.db2.gz VMRPTQYLPHRYQR-WCBMZHEXSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@]1([C@@H](O)CCCC(F)F)C[C@H]1F 687834027 571829285 /nfs/dbraw/zinc/82/92/85/571829285.db2.gz MQNFFQBNFLBEDM-FJXKBIBVSA-N 0 0 196.212 2.531 10 0 AFAERN CCCCC[C@@](C)(O)CCOCC 686225084 571829322 /nfs/dbraw/zinc/82/93/22/571829322.db2.gz VNWXMMOUTMJEJE-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CC(=O)C[C@@H]1CCC=C[C@@H]1C 4705651 571829400 /nfs/dbraw/zinc/82/94/00/571829400.db2.gz UNSJHQKNEOTFKH-WPRPVWTQSA-N 0 0 152.237 2.568 10 0 AFAERN CCCCC[C@](C)(O)CCOCC 686225085 571829463 /nfs/dbraw/zinc/82/94/63/571829463.db2.gz VNWXMMOUTMJEJE-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)[C@H]1CC(=O)C[C@H](C)C1 4692347 571829536 /nfs/dbraw/zinc/82/95/36/571829536.db2.gz MCSPKYAHSDBQAR-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@](C)(CO)Nc1ccccc1C 38112963 571829576 /nfs/dbraw/zinc/82/95/76/571829576.db2.gz NXATXKDQPRJQPD-LBPRGKRZSA-N 0 0 193.290 2.568 10 0 AFAERN CC(C)[C@H]1C(=O)CCC[C@H]1C 4692345 571829798 /nfs/dbraw/zinc/82/97/98/571829798.db2.gz VMRPTQYLPHRYQR-PSASIEDQSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)CCC[C@H](O)C(F)(F)F 39644634 571829863 /nfs/dbraw/zinc/82/98/63/571829863.db2.gz SUUQZZMBEPGSMG-ZETCQYMHSA-N 0 0 184.201 2.736 10 0 AFAERN c1ccc2cc(N3CC3)ccc2c1 35569558 571829872 /nfs/dbraw/zinc/82/98/72/571829872.db2.gz OWTBQDIXEUDSSD-UHFFFAOYSA-N 0 0 169.227 2.660 10 0 AFAERN CC(=O)C[C@@H]1CCC=C[C@H]1C 4705650 571829934 /nfs/dbraw/zinc/82/99/34/571829934.db2.gz UNSJHQKNEOTFKH-SCZZXKLOSA-N 0 0 152.237 2.568 10 0 AFAERN CO/C=C\C1CCCCC1 77905750 571829994 /nfs/dbraw/zinc/82/99/94/571829994.db2.gz KBCFLDLDBXYNPR-FPLPWBNLSA-N 0 0 140.226 2.727 10 0 AFAERN C[C@]1([C@H](O)CCCC(F)F)C[C@H]1F 687834018 571830156 /nfs/dbraw/zinc/83/01/56/571830156.db2.gz MQNFFQBNFLBEDM-BHNWBGBOSA-N 0 0 196.212 2.531 10 0 AFAERN CCC(CC)[C@@H](NC)C(F)(F)F 78678419 571833262 /nfs/dbraw/zinc/83/32/62/571833262.db2.gz UQXPGAVOWBFKHR-SSDOTTSWSA-N 0 0 183.217 2.573 10 0 AFAERN CC[C@@H](O)[C@@H](C)Cc1ccccc1 39651319 571830404 /nfs/dbraw/zinc/83/04/04/571830404.db2.gz NDCBWQCTQSTKJY-CMPLNLGQSA-N 0 0 178.275 2.636 10 0 AFAERN C/C=C\COc1ccccc1C 78222047 571830532 /nfs/dbraw/zinc/83/05/32/571830532.db2.gz YALGDKSHRQTYBL-ARJAWSKDSA-N 0 0 162.232 2.950 10 0 AFAERN CC[C@@H](C)c1coc(C=O)c1 39062181 571830566 /nfs/dbraw/zinc/83/05/66/571830566.db2.gz RLOGANLHEDRMSE-SSDOTTSWSA-N 0 0 152.193 2.606 10 0 AFAERN C[C@]1([C@@H](O)CCCC(F)F)C[C@@H]1F 687834039 571830584 /nfs/dbraw/zinc/83/05/84/571830584.db2.gz MQNFFQBNFLBEDM-ZKWXMUAHSA-N 0 0 196.212 2.531 10 0 AFAERN C[C@@H]1CCCC(=O)N1C1CCCCC1 687802900 571830711 /nfs/dbraw/zinc/83/07/11/571830711.db2.gz PJZQXCKVOUIALJ-SNVBAGLBSA-N 0 0 195.306 2.720 10 0 AFAERN CCCc1ccc(C[C@H](C)CO)cc1 78094016 571830787 /nfs/dbraw/zinc/83/07/87/571830787.db2.gz FDNHSWVODCWQFN-NSHDSACASA-N 0 0 192.302 2.810 10 0 AFAERN CC[C@@H](C)C[C@@](C)(CC)CO 77993626 571830858 /nfs/dbraw/zinc/83/08/58/571830858.db2.gz DHPXCZQIGRUZAY-NXEZZACHSA-N 0 0 158.285 2.831 10 0 AFAERN CC(=O)[C@@H]1C[C@H]2C=CC[C@H](C2)C1 5024025 571830993 /nfs/dbraw/zinc/83/09/93/571830993.db2.gz REOSYUVIORPZPL-HBNTYKKESA-N 0 0 164.248 2.568 10 0 AFAERN CC[C@](C)(CO)Nc1ccccc1C 38112964 571831353 /nfs/dbraw/zinc/83/13/53/571831353.db2.gz NXATXKDQPRJQPD-GFCCVEGCSA-N 0 0 193.290 2.568 10 0 AFAERN CCCCC(=O)[C@@H](F)CCC 39648430 571831545 /nfs/dbraw/zinc/83/15/45/571831545.db2.gz HVFXMDJVVWOWSD-QMMMGPOBSA-N 0 0 160.232 2.884 10 0 AFAERN CC[C@@H](O)[C@H](C)Cc1ccccc1 39651321 571831811 /nfs/dbraw/zinc/83/18/11/571831811.db2.gz NDCBWQCTQSTKJY-ZYHUDNBSSA-N 0 0 178.275 2.636 10 0 AFAERN O=C1[C@@H]2CCC[C@@H]2C12CCCCC2 5133701 571831897 /nfs/dbraw/zinc/83/18/97/571831897.db2.gz QSWCHTAUTHXLIO-ZJUUUORDSA-N 0 0 178.275 2.936 10 0 AFAERN CCCc1ccc(C[C@@H](C)CO)cc1 78094014 571831954 /nfs/dbraw/zinc/83/19/54/571831954.db2.gz FDNHSWVODCWQFN-LLVKDONJSA-N 0 0 192.302 2.810 10 0 AFAERN CC[C@@H](CO)Nc1cccc(Cl)c1 38113891 571832032 /nfs/dbraw/zinc/83/20/32/571832032.db2.gz IYAOWCBYONZCHS-VIFPVBQESA-N 0 0 199.681 2.523 10 0 AFAERN CN1CCC=Cc2ccccc21 5052754 571832088 /nfs/dbraw/zinc/83/20/88/571832088.db2.gz DXFAPFLCTSTRMY-UHFFFAOYSA-N 0 0 159.232 2.540 10 0 AFAERN CC(C)Cc1c[nH]c(CC(C)C)n1 39407237 571832252 /nfs/dbraw/zinc/83/22/52/571832252.db2.gz SUXBUGAJVBFEDD-UHFFFAOYSA-N 0 0 180.295 2.807 10 0 AFAERN C[C@]12CCCC[C@@H]1C[C@H](O)CC2 5082251 571832355 /nfs/dbraw/zinc/83/23/55/571832355.db2.gz ZGVYVWSAAMJYCN-GMTAPVOTSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H](O)[C@H](C)Cc1ccccc1 39651320 571832359 /nfs/dbraw/zinc/83/23/59/571832359.db2.gz NDCBWQCTQSTKJY-PWSUYJOCSA-N 0 0 178.275 2.636 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)C[C@H]2CCCO2)C1 687803045 571832372 /nfs/dbraw/zinc/83/23/72/571832372.db2.gz PTDJQQOGAAPXMT-OUAUKWLOSA-N 0 0 196.290 2.561 10 0 AFAERN O=C1[C@H]2CCC[C@H]2C12CCCCC2 5133696 571832559 /nfs/dbraw/zinc/83/25/59/571832559.db2.gz QSWCHTAUTHXLIO-VHSXEESVSA-N 0 0 178.275 2.936 10 0 AFAERN C[C@@]12CCCC[C@@H]1CCC(=O)C2 5081086 571832916 /nfs/dbraw/zinc/83/29/16/571832916.db2.gz IDMWZWSMOJZNAC-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN C/C=C(/C)C[C@H]1CCCC[C@@H]1O 5132584 571832930 /nfs/dbraw/zinc/83/29/30/571832930.db2.gz DGTPFQBNWBYLJM-ZHFHSAFGSA-N 0 0 168.280 2.894 10 0 AFAERN CCCCC(=O)[C@H](F)CCC 39648428 571833409 /nfs/dbraw/zinc/83/34/09/571833409.db2.gz HVFXMDJVVWOWSD-MRVPVSSYSA-N 0 0 160.232 2.884 10 0 AFAERN C/C=C(\C)C[C@H](O)C=C(C)C 78751859 571832978 /nfs/dbraw/zinc/83/29/78/571832978.db2.gz FSQZGNKIWMVDJF-NAZIUFLLSA-N 0 0 154.253 2.670 10 0 AFAERN O=C1[C@@H]2CCC[C@H]2C12CCCCC2 5133698 571832998 /nfs/dbraw/zinc/83/29/98/571832998.db2.gz QSWCHTAUTHXLIO-NXEZZACHSA-N 0 0 178.275 2.936 10 0 AFAERN C[C@]12CCCC[C@H]1C[C@H](O)CC2 5082253 571833086 /nfs/dbraw/zinc/83/30/86/571833086.db2.gz ZGVYVWSAAMJYCN-HBNTYKKESA-N 0 0 168.280 2.728 10 0 AFAERN O=C1CC23CC=CCC12CC=CC3 5133335 571833603 /nfs/dbraw/zinc/83/36/03/571833603.db2.gz YFGHTPCGOJCKMY-UHFFFAOYSA-N 0 0 174.243 2.632 10 0 AFAERN CCC[C@H](C)[C@@H](NC)C(F)(F)F 78678437 571833831 /nfs/dbraw/zinc/83/38/31/571833831.db2.gz ZZWAOWUKCHUONI-NKWVEPMBSA-N 0 0 183.217 2.573 10 0 AFAERN O=C1[C@H]2CCC[C@@H]2C12CCCCC2 5133700 571833845 /nfs/dbraw/zinc/83/38/45/571833845.db2.gz QSWCHTAUTHXLIO-UWVGGRQHSA-N 0 0 178.275 2.936 10 0 AFAERN CN[C@H](CC(C)(C)C)C(F)(F)F 78678458 571833848 /nfs/dbraw/zinc/83/38/48/571833848.db2.gz UOCUFKPVIIWBHD-ZCFIWIBFSA-N 0 0 183.217 2.573 10 0 AFAERN CCOC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C 78597445 571833854 /nfs/dbraw/zinc/83/38/54/571833854.db2.gz ZRPZFZCZWMSSFS-UTLUCORTSA-N 0 0 199.294 2.557 10 0 AFAERN CC[C@@H](CC1CC1)NC(=O)C(C)(C)C 78586544 571833885 /nfs/dbraw/zinc/83/38/85/571833885.db2.gz UIYZWWPNMHJVED-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN O=C1CCC23CCCC12CCC3 5133495 571833964 /nfs/dbraw/zinc/83/39/64/571833964.db2.gz REDJCHITNLSFNY-UHFFFAOYSA-N 0 0 164.248 2.690 10 0 AFAERN CC[C@H](CC1CC1)NC(=O)C(C)(C)C 78586549 571833967 /nfs/dbraw/zinc/83/39/67/571833967.db2.gz UIYZWWPNMHJVED-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN CN[C@@H](CC(C)(C)C)C(F)(F)F 78678454 571834105 /nfs/dbraw/zinc/83/41/05/571834105.db2.gz UOCUFKPVIIWBHD-LURJTMIESA-N 0 0 183.217 2.573 10 0 AFAERN Cc1ccc(CC(=O)C2CCC2)cc1 38126979 571834160 /nfs/dbraw/zinc/83/41/60/571834160.db2.gz KPCUBZWIHZFVCO-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN CCC[C@@H](C)[C@@H](NC)C(F)(F)F 78678429 571834410 /nfs/dbraw/zinc/83/44/10/571834410.db2.gz ZZWAOWUKCHUONI-RNFRBKRXSA-N 0 0 183.217 2.573 10 0 AFAERN CC(C)CNC(=S)c1ccccc1 5284557 571834475 /nfs/dbraw/zinc/83/44/75/571834475.db2.gz MYQFFWUEIFETMH-UHFFFAOYSA-N 0 0 193.315 2.608 10 0 AFAERN CCCC(=O)Cc1cccs1 38126090 571834508 /nfs/dbraw/zinc/83/45/08/571834508.db2.gz GRBCNJGCVUSKNC-UHFFFAOYSA-N 0 0 168.261 2.660 10 0 AFAERN CCCCC[C@H](NC)C(F)(F)F 78678442 571834738 /nfs/dbraw/zinc/83/47/38/571834738.db2.gz MHOVWZBOQKVLLI-ZETCQYMHSA-N 0 0 183.217 2.717 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)C[C@H]2CCCO2)C1 687803044 571834760 /nfs/dbraw/zinc/83/47/60/571834760.db2.gz PTDJQQOGAAPXMT-GMTAPVOTSA-N 0 0 196.290 2.561 10 0 AFAERN CCC[C@@H]1CCC[C@H](NN(C)C)CC1 213941872 571834796 /nfs/dbraw/zinc/83/47/96/571834796.db2.gz JBVXXCPTMIKQPU-NEPJUHHUSA-N 0 0 198.354 2.802 10 0 AFAERN CCOC(=O)N[C@H]1CC[C@H](C)C[C@@H]1C 78597440 571834814 /nfs/dbraw/zinc/83/48/14/571834814.db2.gz ZRPZFZCZWMSSFS-GUBZILKMSA-N 0 0 199.294 2.557 10 0 AFAERN CCC[C@H](C)C[C@@H](O)C1CCC1 84888113 571835070 /nfs/dbraw/zinc/83/50/70/571835070.db2.gz LIFDVNDKYBNYSS-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC(=O)N[C@H]1CC[C@H](C)C[C@@H]1C 78586436 571835095 /nfs/dbraw/zinc/83/50/95/571835095.db2.gz ZIHSKVIDQZYVSE-DCAQKATOSA-N 0 0 197.322 2.727 10 0 AFAERN c1csc(CO[C@@H]2CCCCO2)c1 38235209 571837541 /nfs/dbraw/zinc/83/75/41/571837541.db2.gz SRLBYEMUZMUHSX-SNVBAGLBSA-N 0 0 198.287 2.791 10 0 AFAERN CCC[C@@H](C)[C@H](NC)C(F)(F)F 78678422 571835146 /nfs/dbraw/zinc/83/51/46/571835146.db2.gz ZZWAOWUKCHUONI-RQJHMYQMSA-N 0 0 183.217 2.573 10 0 AFAERN c1ccc(CSc2cc[nH]n2)cc1 5286337 571835151 /nfs/dbraw/zinc/83/51/51/571835151.db2.gz HMYHRTMNHDFHBS-UHFFFAOYSA-N 0 0 190.271 2.702 10 0 AFAERN COc1ccc(OC)c(CC(C)C)c1 78760949 571835200 /nfs/dbraw/zinc/83/52/00/571835200.db2.gz OBRGZCMAJSEXJM-UHFFFAOYSA-N 0 0 194.274 2.902 10 0 AFAERN CCC(CC)[C@H](NC)C(F)(F)F 78678416 571835210 /nfs/dbraw/zinc/83/52/10/571835210.db2.gz UQXPGAVOWBFKHR-ZETCQYMHSA-N 0 0 183.217 2.573 10 0 AFAERN COC(=O)[C@@H]1CCCC2(CCCC2)C1 143647696 571837813 /nfs/dbraw/zinc/83/78/13/571837813.db2.gz YVEHTBCSDUZUIU-SNVBAGLBSA-N 0 0 196.290 2.910 10 0 AFAERN CCCCC(=O)c1ccc(N)cc1 5138830 571835436 /nfs/dbraw/zinc/83/54/36/571835436.db2.gz ODSCUBSJIFLFPF-UHFFFAOYSA-N 0 0 177.247 2.642 10 0 AFAERN CCCCC[C@@H](NC)C(F)(F)F 78678449 571835456 /nfs/dbraw/zinc/83/54/56/571835456.db2.gz MHOVWZBOQKVLLI-SSDOTTSWSA-N 0 0 183.217 2.717 10 0 AFAERN C/C=C(\C)C[C@@H](O)C=C(C)C 78751872 571835554 /nfs/dbraw/zinc/83/55/54/571835554.db2.gz FSQZGNKIWMVDJF-CYNRKNSPSA-N 0 0 154.253 2.670 10 0 AFAERN CCC[C@H](C)[C@H](NC)C(F)(F)F 78678425 571835563 /nfs/dbraw/zinc/83/55/63/571835563.db2.gz ZZWAOWUKCHUONI-BQBZGAKWSA-N 0 0 183.217 2.573 10 0 AFAERN CCOC(=N)Cc1ccc(F)cc1F 78676075 571835572 /nfs/dbraw/zinc/83/55/72/571835572.db2.gz MYJMLJXLMDRAAP-UHFFFAOYSA-N 0 0 199.200 2.521 10 0 AFAERN O=C1C[C@H]2C[C@@H](C1)CC1(CC1)C2 27988302 571835588 /nfs/dbraw/zinc/83/55/88/571835588.db2.gz DRQMEPIANFVWJS-DTORHVGOSA-N 0 0 164.248 2.546 10 0 AFAERN CCC[C@H]1CCC[C@@H](NN(C)C)CC1 213942055 571835649 /nfs/dbraw/zinc/83/56/49/571835649.db2.gz JBVXXCPTMIKQPU-NWDGAFQWSA-N 0 0 198.354 2.802 10 0 AFAERN CCC[C@@H]1CCC[C@@H](NN(C)C)CC1 213941990 571835661 /nfs/dbraw/zinc/83/56/61/571835661.db2.gz JBVXXCPTMIKQPU-VXGBXAGGSA-N 0 0 198.354 2.802 10 0 AFAERN CC(C)=CC[C@@H]1CCCC[C@H]1O 5158849 571835673 /nfs/dbraw/zinc/83/56/73/571835673.db2.gz BAYFJXSKCKAWPW-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN CCCCCC1=CCC[C@H]1O 38234024 571835961 /nfs/dbraw/zinc/83/59/61/571835961.db2.gz WSTAVRJAAUOVKA-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)=CCC/C=C(/C)CO 5158658 571835970 /nfs/dbraw/zinc/83/59/70/571835970.db2.gz JSMKSZJPQZMEHN-YFHOEESVSA-N 0 0 154.253 2.671 10 0 AFAERN c1ccc([C@@H]2CCSC2)cc1 5171661 571836020 /nfs/dbraw/zinc/83/60/20/571836020.db2.gz MMBMCZZLHYNDRS-SNVBAGLBSA-N 0 0 164.273 2.907 10 0 AFAERN CC[C@@H](C)c1cccnc1 5140003 571836060 /nfs/dbraw/zinc/83/60/60/571836060.db2.gz UEOMUYCGCCSHAP-MRVPVSSYSA-N 0 0 135.210 2.595 10 0 AFAERN CCc1cccc(C)c1C(C)=O 38234115 571836086 /nfs/dbraw/zinc/83/60/86/571836086.db2.gz ATOJZOMGBNOSNW-UHFFFAOYSA-N 0 0 162.232 2.760 10 0 AFAERN Cc1ccc([C@]2(C)CCC2=O)cc1 38220531 571836098 /nfs/dbraw/zinc/83/60/98/571836098.db2.gz NOBCNYXRZAUBSP-LBPRGKRZSA-N 0 0 174.243 2.616 10 0 AFAERN CC[C@H](C)c1cccnc1 5140108 571836104 /nfs/dbraw/zinc/83/61/04/571836104.db2.gz UEOMUYCGCCSHAP-QMMMGPOBSA-N 0 0 135.210 2.595 10 0 AFAERN CC1=CC[C@@H]2[C@@H](O)CCC[C@]2(C)C1 38234542 571836300 /nfs/dbraw/zinc/83/63/00/571836300.db2.gz GQPYDFAEBFXNIM-GRYCIOLGSA-N 0 0 180.291 2.894 10 0 AFAERN c1ccc([C@H]2CCSC2)cc1 5171664 571836309 /nfs/dbraw/zinc/83/63/09/571836309.db2.gz MMBMCZZLHYNDRS-JTQLQIEISA-N 0 0 164.273 2.907 10 0 AFAERN C=C=C(CCCC)[C@H](C)CNC(C)=O 34585784 571836443 /nfs/dbraw/zinc/83/64/43/571836443.db2.gz PVPWXLFOAQCMQS-SNVBAGLBSA-N 0 0 195.306 2.660 10 0 AFAERN CCCCCn1cccc1 5309016 571836478 /nfs/dbraw/zinc/83/64/78/571836478.db2.gz VODBTJROPIJKCF-UHFFFAOYSA-N 0 0 137.226 2.678 10 0 AFAERN CC(C)/C(=C/CO)c1ccccc1 38220566 571836704 /nfs/dbraw/zinc/83/67/04/571836704.db2.gz DODDFEFVZYZASI-WQLSENKSSA-N 0 0 176.259 2.718 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)C1CCC1 84888110 571836709 /nfs/dbraw/zinc/83/67/09/571836709.db2.gz LIFDVNDKYBNYSS-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN COc1ccc(OC)c2sccc12 38235024 571836954 /nfs/dbraw/zinc/83/69/54/571836954.db2.gz NCNWCNXPSWANMM-UHFFFAOYSA-N 0 0 194.255 2.919 10 0 AFAERN CC1=NCCc2ccc(Cl)cc21 38234519 571837078 /nfs/dbraw/zinc/83/70/78/571837078.db2.gz QVKOATNNZYHZPF-UHFFFAOYSA-N 0 0 179.650 2.705 10 0 AFAERN CN(C)c1cccc2ccc(O)cc12 5140660 571837164 /nfs/dbraw/zinc/83/71/64/571837164.db2.gz FVIRBOBSIYMISE-UHFFFAOYSA-N 0 0 187.242 2.611 10 0 AFAERN COCCC(=O)C1CCCCCCC1 686225355 571837212 /nfs/dbraw/zinc/83/72/12/571837212.db2.gz MOZJKOVLVIUABZ-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN c1ccc2c(c1)Cc1ccncc1O2 27977772 571837215 /nfs/dbraw/zinc/83/72/15/571837215.db2.gz IYFHLNFKUVWJHB-UHFFFAOYSA-N 0 0 183.210 2.778 10 0 AFAERN CCC[C@H]1CCC[C@H](NN(C)C)CC1 213941925 571837547 /nfs/dbraw/zinc/83/75/47/571837547.db2.gz JBVXXCPTMIKQPU-RYUDHWBXSA-N 0 0 198.354 2.802 10 0 AFAERN Cc1cc[nH]c2cc3ccccc3c1-2 5331149 571837642 /nfs/dbraw/zinc/83/76/42/571837642.db2.gz CPNMCWQGESOVJT-UHFFFAOYSA-N 0 0 181.238 2.961 10 0 AFAERN CC(C)(C)[C@H]1C(=O)[C@H]1C(C)(C)C 5354326 571837657 /nfs/dbraw/zinc/83/76/57/571837657.db2.gz ALHNARUUWHUXKU-OCAPTIKFSA-N 0 0 168.280 2.894 10 0 AFAERN C1=Cc2cc3ccccc3n2C1 38220310 571837725 /nfs/dbraw/zinc/83/77/25/571837725.db2.gz GOHIXUOTOMMONS-UHFFFAOYSA-N 0 0 155.200 2.668 10 0 AFAERN O=C1CCCC[C@H]2CCC[C@H]1C2 38234184 571837735 /nfs/dbraw/zinc/83/77/35/571837735.db2.gz JXXQBBVRVFWEJQ-UWVGGRQHSA-N 0 0 166.264 2.936 10 0 AFAERN CCCC/C=C/C=C/C1OCCO1 38220665 571837759 /nfs/dbraw/zinc/83/77/59/571837759.db2.gz XMVBBYLYWZZICW-BSWSSELBSA-N 0 0 182.263 2.662 10 0 AFAERN OC/C=C/C12CC3CC(CC(C3)C1)C2 38220864 571837767 /nfs/dbraw/zinc/83/77/67/571837767.db2.gz LPVSMKCSAJSVSB-OWOJBTEDSA-N 0 0 192.302 2.751 10 0 AFAERN CNc1sccc1SC 38234071 571837793 /nfs/dbraw/zinc/83/77/93/571837793.db2.gz GREBSMMZUFNMJF-UHFFFAOYSA-N 0 0 159.279 2.512 10 0 AFAERN c1ccc2c3c(c4c(c2c1)C4)O3 205373415 571838041 /nfs/dbraw/zinc/83/80/41/571838041.db2.gz FXEAVKFTEXPDRN-UHFFFAOYSA-N 0 0 154.168 2.850 10 0 AFAERN O=C1CCCc2cc3ccccc3n21 38220699 571838044 /nfs/dbraw/zinc/83/80/44/571838044.db2.gz JLPLVGUCKRNQLP-UHFFFAOYSA-N 0 0 185.226 2.618 10 0 AFAERN Cc1cccc2c1C(=O)[C@@H](C)CC2 38251311 571839024 /nfs/dbraw/zinc/83/90/24/571839024.db2.gz UYEVYGHROFVIRJ-VIFPVBQESA-N 0 0 174.243 2.760 10 0 AFAERN C[C@@H](CC(F)F)C[C@@H](O)C1(C)CC1 687840375 571839697 /nfs/dbraw/zinc/83/96/97/571839697.db2.gz WWDZYWMHOLESOA-HTQZYQBOSA-N 0 0 192.249 2.829 10 0 AFAERN c1csc(CO[C@H]2CCCCO2)c1 38235211 571838303 /nfs/dbraw/zinc/83/83/03/571838303.db2.gz SRLBYEMUZMUHSX-JTQLQIEISA-N 0 0 198.287 2.791 10 0 AFAERN c1[nH]cc2c1sc1c[nH]cc12 38234112 571838369 /nfs/dbraw/zinc/83/83/69/571838369.db2.gz UCNPPEWCIZGXQR-UHFFFAOYSA-N 0 0 162.217 2.711 10 0 AFAERN CC(C)(C)[C@H]1C(=O)[C@@H]1C(C)(C)C 5354335 571838601 /nfs/dbraw/zinc/83/86/01/571838601.db2.gz ALHNARUUWHUXKU-HTQZYQBOSA-N 0 0 168.280 2.894 10 0 AFAERN CC/C=C/C[C@@H](O)C(C)(C)C 38265495 571838695 /nfs/dbraw/zinc/83/86/95/571838695.db2.gz JQMSKIBJIASWHV-XCODYQFDSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)(C)[C@@H]1C(=O)[C@H]1C(C)(C)C 5354822 571838709 /nfs/dbraw/zinc/83/87/09/571838709.db2.gz ALHNARUUWHUXKU-YUMQZZPRSA-N 0 0 168.280 2.894 10 0 AFAERN CC1=CC[C@@H](/C(C)=C/CO)CC1 38251189 571838712 /nfs/dbraw/zinc/83/87/12/571838712.db2.gz BMSVWDJXCKMWSV-PFEDMVJOSA-N 0 0 166.264 2.671 10 0 AFAERN C=C=C[C@H](O)c1ccc(Cl)cc1 38251423 571838768 /nfs/dbraw/zinc/83/87/68/571838768.db2.gz VRKAQRZHXIGEAQ-JTQLQIEISA-N 0 0 180.634 2.715 10 0 AFAERN C[C@@]12CCCCC1=C[C@H](O)CC2 5369106 571838792 /nfs/dbraw/zinc/83/87/92/571838792.db2.gz ZRALQUNYQUFRDO-MNOVXSKESA-N 0 0 166.264 2.648 10 0 AFAERN CCC(=O)c1oc(CC)cc1C 5341471 571838815 /nfs/dbraw/zinc/83/88/15/571838815.db2.gz MYWGEUJVWNPOPR-UHFFFAOYSA-N 0 0 166.220 2.743 10 0 AFAERN CC[C@@H](O)c1c(C)cc(C)cc1OC 233904305 571841288 /nfs/dbraw/zinc/84/12/88/571841288.db2.gz HCQURSMULJDSHG-SNVBAGLBSA-N 0 0 194.274 2.755 10 0 AFAERN COc1cc(/C=C(/C)F)ccc1O 38301719 571841722 /nfs/dbraw/zinc/84/17/22/571841722.db2.gz QOVSMCISBLBSQD-ALCCZGGFSA-N 0 0 182.194 2.731 10 0 AFAERN C[C@@H]1CCCCCCCC1=O 38251031 571838951 /nfs/dbraw/zinc/83/89/51/571838951.db2.gz DOPVNVIYCBRHHW-SECBINFHSA-N 0 0 154.253 2.936 10 0 AFAERN CC1=CC[C@H](/C(C)=C/CO)CC1 38251187 571838989 /nfs/dbraw/zinc/83/89/89/571838989.db2.gz BMSVWDJXCKMWSV-HUYFXPKMSA-N 0 0 166.264 2.671 10 0 AFAERN CCCC[C@]1(C)CCCC1=O 38251029 571839021 /nfs/dbraw/zinc/83/90/21/571839021.db2.gz BHZMOBULGABXTQ-SNVBAGLBSA-N 0 0 154.253 2.936 10 0 AFAERN O[C@@H](CC=C1CC1)c1ccccc1 38251310 571839110 /nfs/dbraw/zinc/83/91/10/571839110.db2.gz DFTBLAXEFAMVPZ-LBPRGKRZSA-N 0 0 174.243 2.830 10 0 AFAERN Cc1cc(-c2cnco2)ccc1F 143656930 571839151 /nfs/dbraw/zinc/83/91/51/571839151.db2.gz GVMLSZBWTXKRPT-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN O=C1c2ccccc2CC12CCC2 38265870 571839153 /nfs/dbraw/zinc/83/91/53/571839153.db2.gz JALMCDIFOWIFCH-UHFFFAOYSA-N 0 0 172.227 2.596 10 0 AFAERN C=COc1cccc2c1NCCC2 5495146 571839176 /nfs/dbraw/zinc/83/91/76/571839176.db2.gz YJGNERDQLZJQFL-UHFFFAOYSA-N 0 0 175.231 2.567 10 0 AFAERN CC/C=C/C[C@H](O)C(C)(C)C 38265493 571839190 /nfs/dbraw/zinc/83/91/90/571839190.db2.gz JQMSKIBJIASWHV-UCUJLANTSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@@H](O)c1c(C)cc(F)cc1C 233904311 571839264 /nfs/dbraw/zinc/83/92/64/571839264.db2.gz OYUWYRIDPJXHIA-SNVBAGLBSA-N 0 0 182.238 2.886 10 0 AFAERN c1ccc2c(c1)ccc1ocnc12 5518684 571839276 /nfs/dbraw/zinc/83/92/76/571839276.db2.gz WMUIZUWOEIQJEH-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN O[C@H](c1ccco1)[C@H]1C=CCCC1 38258498 571839277 /nfs/dbraw/zinc/83/92/77/571839277.db2.gz HXAXVMCKLJYFDP-ONGXEEELSA-N 0 0 178.231 2.669 10 0 AFAERN C[C@H](CC(F)F)C[C@H](O)C1(C)CC1 687840381 571839296 /nfs/dbraw/zinc/83/92/96/571839296.db2.gz WWDZYWMHOLESOA-YUMQZZPRSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@H](CC(F)F)C[C@@H](O)C1(C)CC1 687840376 571839344 /nfs/dbraw/zinc/83/93/44/571839344.db2.gz WWDZYWMHOLESOA-JGVFFNPUSA-N 0 0 192.249 2.829 10 0 AFAERN C=Cn1cccc1-c1ccc(N)cc1 5495171 571839356 /nfs/dbraw/zinc/83/93/56/571839356.db2.gz KKBKUPCAEDHCSF-UHFFFAOYSA-N 0 0 184.242 2.838 10 0 AFAERN C(=Cc1c[nH]cn1)c1ccccc1 38265795 571839384 /nfs/dbraw/zinc/83/93/84/571839384.db2.gz MFHBPHZCHYSGIG-VOTSOKGWSA-N 0 0 170.215 2.580 10 0 AFAERN COC(=O)C[C@H]1CCC[C@H](C)CC1 143652559 571839391 /nfs/dbraw/zinc/83/93/91/571839391.db2.gz IJWLBWDSHHEIBO-UWVGGRQHSA-N 0 0 184.279 2.766 10 0 AFAERN CCOC1(Nc2ccccc2)CC1 38265996 571839420 /nfs/dbraw/zinc/83/94/20/571839420.db2.gz FVTRRTPUTRTAIN-UHFFFAOYSA-N 0 0 177.247 2.625 10 0 AFAERN C=Cn1ccc2c1CCCCC2 5495169 571839554 /nfs/dbraw/zinc/83/95/54/571839554.db2.gz AMLGVBCJGKQIBX-UHFFFAOYSA-N 0 0 161.248 2.858 10 0 AFAERN O[C@@H]1CCCC[C@H]1C(F)=C(F)F 38266092 571839579 /nfs/dbraw/zinc/83/95/79/571839579.db2.gz RRBAUGFOMWHJSE-PHDIDXHHSA-N 0 0 180.169 2.615 10 0 AFAERN C[C@@H](C[C@@H](C)O)c1cccs1 38265818 571839598 /nfs/dbraw/zinc/83/95/98/571839598.db2.gz JAIXROKSNSNESZ-JGVFFNPUSA-N 0 0 170.277 2.623 10 0 AFAERN O[C@@H](Cc1ccoc1)c1ccccc1 38251547 571839651 /nfs/dbraw/zinc/83/96/51/571839651.db2.gz UYJPZHIFPLLFFO-LBPRGKRZSA-N 0 0 188.226 2.556 10 0 AFAERN COc1ccc2cc(C)cc(N)c2c1 38276441 571839711 /nfs/dbraw/zinc/83/97/11/571839711.db2.gz ADKVYFFOCZXQBU-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN CCCCC(C)(C)/C=C/CO 34588790 571839799 /nfs/dbraw/zinc/83/97/99/571839799.db2.gz WJXMCOWNOGRCCZ-SOFGYWHQSA-N 0 0 156.269 2.751 10 0 AFAERN Cc1c[nH]c(C(=O)OC(C)(C)C)c1C 38271505 571840019 /nfs/dbraw/zinc/84/00/19/571840019.db2.gz VBWWFQOWOGUVOA-UHFFFAOYSA-N 0 0 195.262 2.587 10 0 AFAERN C/C=C/c1ccc2cccnc2c1N 38266233 571840129 /nfs/dbraw/zinc/84/01/29/571840129.db2.gz FPOFTAWFIITNEY-DUXPYHPUSA-N 0 0 184.242 2.850 10 0 AFAERN CC[C@@H](Nc1cc(N)ns1)C(C)C 233902776 571840229 /nfs/dbraw/zinc/84/02/29/571840229.db2.gz NKHPMXFFJOAXMH-SSDOTTSWSA-N 0 0 199.323 2.572 10 0 AFAERN O=C(OC1CCCCC1)c1cc[nH]c1 38251667 571840241 /nfs/dbraw/zinc/84/02/41/571840241.db2.gz MWYMVAPNNIOQOS-UHFFFAOYSA-N 0 0 193.246 2.504 10 0 AFAERN CCCc1ccc([C@@H](F)CO)cc1 257836446 571840329 /nfs/dbraw/zinc/84/03/29/571840329.db2.gz MFJKNFICQDNPMU-NSHDSACASA-N 0 0 182.238 2.642 10 0 AFAERN C=CC(=O)OCC(C)(C)CCCC 5510268 571840340 /nfs/dbraw/zinc/84/03/40/571840340.db2.gz ZDEMXHSNWUJBIV-UHFFFAOYSA-N 0 0 184.279 2.932 10 0 AFAERN CCOC(=O)[C@H](C)c1ccc(C)s1 257923499 571840408 /nfs/dbraw/zinc/84/04/08/571840408.db2.gz YLZPFUYZFXUUHP-MRVPVSSYSA-N 0 0 198.287 2.723 10 0 AFAERN CCCC[C@@]1(C)CCCC1=O 38251030 571840415 /nfs/dbraw/zinc/84/04/15/571840415.db2.gz BHZMOBULGABXTQ-JTQLQIEISA-N 0 0 154.253 2.936 10 0 AFAERN O[C@H](CC=C1CC1)c1ccccc1 38251309 571840436 /nfs/dbraw/zinc/84/04/36/571840436.db2.gz DFTBLAXEFAMVPZ-GFCCVEGCSA-N 0 0 174.243 2.830 10 0 AFAERN Oc1cc2c(c3c1C=CC3)CCCC2 38266309 571840550 /nfs/dbraw/zinc/84/05/50/571840550.db2.gz YHZDFQLQMCFXSY-UHFFFAOYSA-N 0 0 186.254 2.840 10 0 AFAERN C[C@@H](CC(F)F)C[C@H](O)C1(C)CC1 687840378 571840863 /nfs/dbraw/zinc/84/08/63/571840863.db2.gz WWDZYWMHOLESOA-SFYZADRCSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)(C)c1ccc(C=O)c(C=O)c1 38292973 571841107 /nfs/dbraw/zinc/84/11/07/571841107.db2.gz OXQLKZWUBATPIM-UHFFFAOYSA-N 0 0 190.242 2.609 10 0 AFAERN CC(C)[C@@H](O)CCCCC(F)F 687848004 571841144 /nfs/dbraw/zinc/84/11/44/571841144.db2.gz DTXZJCVBZNKRFZ-QMMMGPOBSA-N 0 0 180.238 2.829 10 0 AFAERN c1ccc2nc3cscc3nc2c1 38292905 571841244 /nfs/dbraw/zinc/84/12/44/571841244.db2.gz KKOWKMBHRUCNHB-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN CCc1[nH]c2ccccc2c1C(C)=O 38283312 571841417 /nfs/dbraw/zinc/84/14/17/571841417.db2.gz QIOYPWUEVJBKPE-UHFFFAOYSA-N 0 0 187.242 2.933 10 0 AFAERN CC[C@H]1CC(C)(C)CCC1=O 38282145 571841441 /nfs/dbraw/zinc/84/14/41/571841441.db2.gz JKOKKFRQRVUNGU-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CSc1cc(O)cc2c1CCCC2 38283445 571841466 /nfs/dbraw/zinc/84/14/66/571841466.db2.gz LUJGSDRUTTVQKY-UHFFFAOYSA-N 0 0 194.299 2.993 10 0 AFAERN C[C@@]12CCC[C@]1(C)CC(=O)C2 38282119 571841512 /nfs/dbraw/zinc/84/15/12/571841512.db2.gz UUCUCNSPLILRGL-AOOOYVTPSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@@H]1CC(C)(C)CCC1=O 38282144 571841575 /nfs/dbraw/zinc/84/15/75/571841575.db2.gz JKOKKFRQRVUNGU-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN Oc1ccc(OCCCCF)cc1 143785521 571841614 /nfs/dbraw/zinc/84/16/14/571841614.db2.gz QBPKRCABSIYCPW-UHFFFAOYSA-N 0 0 184.210 2.521 10 0 AFAERN C=Cn1cccc1-c1cccc(N)c1 5495177 571841716 /nfs/dbraw/zinc/84/17/16/571841716.db2.gz AJMIZDXJJCUPIU-UHFFFAOYSA-N 0 0 184.242 2.838 10 0 AFAERN C=C=C[C@H](O)c1ccccc1Cl 38312423 571841796 /nfs/dbraw/zinc/84/17/96/571841796.db2.gz LPMJMYJYGBVKIO-JTQLQIEISA-N 0 0 180.634 2.715 10 0 AFAERN CCCCc1ccc(OC)cc1N 257823998 571841797 /nfs/dbraw/zinc/84/17/97/571841797.db2.gz GOCLJPRARUEVRB-UHFFFAOYSA-N 0 0 179.263 2.620 10 0 AFAERN CC(C)[C@H](O)CCCCC(F)F 687848002 571841929 /nfs/dbraw/zinc/84/19/29/571841929.db2.gz DTXZJCVBZNKRFZ-MRVPVSSYSA-N 0 0 180.238 2.829 10 0 AFAERN CCCCC[C@H]1OCCS1 38301525 571841936 /nfs/dbraw/zinc/84/19/36/571841936.db2.gz DLUNVVQHICFZDQ-QMMMGPOBSA-N 0 0 160.282 2.656 10 0 AFAERN C=C=C[C@@H](O)c1ccccc1Cl 38312424 571841944 /nfs/dbraw/zinc/84/19/44/571841944.db2.gz LPMJMYJYGBVKIO-SNVBAGLBSA-N 0 0 180.634 2.715 10 0 AFAERN C[C@@H]1C=CC[C@@H]2CCCC(=O)[C@@]21C 38292751 571842040 /nfs/dbraw/zinc/84/20/40/571842040.db2.gz ZTBXVZYFSOIBKB-CKYFFXLPSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1SCc2nc3ccccc3n21 5503602 571842108 /nfs/dbraw/zinc/84/21/08/571842108.db2.gz LWMCALUODNGSKW-ZETCQYMHSA-N 0 0 190.271 2.802 10 0 AFAERN CC(C)=C[C@H](CCO)C(C)C 38292534 571842152 /nfs/dbraw/zinc/84/21/52/571842152.db2.gz WCGYNRMOYHOFOG-JTQLQIEISA-N 0 0 156.269 2.607 10 0 AFAERN CSc1ccc(-n2cccn2)cc1 38292985 571842211 /nfs/dbraw/zinc/84/22/11/571842211.db2.gz BMBOBAYGFJUELG-UHFFFAOYSA-N 0 0 190.271 2.594 10 0 AFAERN CCCC/C(F)=C(\Cl)[C@H](C)O 38312427 571842259 /nfs/dbraw/zinc/84/22/59/571842259.db2.gz IZSOFCMQKFUKOA-KRHCVIHDSA-N 0 0 180.650 2.977 10 0 AFAERN CC(C)=C[C@@H](CCO)C(C)C 38292535 571842285 /nfs/dbraw/zinc/84/22/85/571842285.db2.gz WCGYNRMOYHOFOG-SNVBAGLBSA-N 0 0 156.269 2.607 10 0 AFAERN CCCCC[C@@H]1OCCS1 38301524 571842330 /nfs/dbraw/zinc/84/23/30/571842330.db2.gz DLUNVVQHICFZDQ-MRVPVSSYSA-N 0 0 160.282 2.656 10 0 AFAERN CC(=O)CCCC=C(C)C 38301428 571842333 /nfs/dbraw/zinc/84/23/33/571842333.db2.gz GHJLLLILWMDFDE-UHFFFAOYSA-N 0 0 140.226 2.712 10 0 AFAERN C[C@]12CCC=C[C@@H]1CCCC2=O 38282250 571842358 /nfs/dbraw/zinc/84/23/58/571842358.db2.gz JGVDEQTXJHEGJI-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CCCC/C(F)=C(\Cl)[C@@H](C)O 38312426 571842401 /nfs/dbraw/zinc/84/24/01/571842401.db2.gz IZSOFCMQKFUKOA-UCTBAKFRSA-N 0 0 180.650 2.977 10 0 AFAERN CC(C)[C@@H]1CN1Cc1ccccc1 38312368 571842573 /nfs/dbraw/zinc/84/25/73/571842573.db2.gz QVESLNYWSYTZLR-UEWDXFNNSA-N 0 0 175.275 2.527 10 0 AFAERN C=CC1=C(C)[C@H](O)CCC1(C)C 38312290 571842604 /nfs/dbraw/zinc/84/26/04/571842604.db2.gz YHJHVPJJBQAHFZ-SNVBAGLBSA-N 0 0 166.264 2.670 10 0 AFAERN CCOCCCCCCOCC 28278455 571842610 /nfs/dbraw/zinc/84/26/10/571842610.db2.gz WHYZKRWTNKHIMS-UHFFFAOYSA-N 0 0 174.284 2.620 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1cc(N)cc(F)c1 233913291 571842618 /nfs/dbraw/zinc/84/26/18/571842618.db2.gz DQBHSNXVRWJMII-RDDDGLTNSA-N 0 0 194.253 2.618 10 0 AFAERN CC(=O)[C@@H]1CCC[C@H]1C(C)C 38312211 571842633 /nfs/dbraw/zinc/84/26/33/571842633.db2.gz OWQSXKONRHMXMK-UWVGGRQHSA-N 0 0 154.253 2.648 10 0 AFAERN OCC[C@@H]1CCCC[C@@H]1C(F)(F)F 38293070 571842662 /nfs/dbraw/zinc/84/26/62/571842662.db2.gz WYKKVVMUYLNXBS-YUMQZZPRSA-N 0 0 196.212 2.738 10 0 AFAERN OCCC[C@H]1C=CCCCC1 38282141 571842672 /nfs/dbraw/zinc/84/26/72/571842672.db2.gz PUVPWTSWYRZRKR-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN C[C@H](O)C1(CCCC(F)F)CC1 687852107 571842896 /nfs/dbraw/zinc/84/28/96/571842896.db2.gz XJRXTIDYRRSYIN-ZETCQYMHSA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1cc(F)ccc1N 233913161 571842932 /nfs/dbraw/zinc/84/29/32/571842932.db2.gz MPFWZRATINZXKX-GMSGAONNSA-N 0 0 194.253 2.618 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1cccc(C)c1N 233915281 571842971 /nfs/dbraw/zinc/84/29/71/571842971.db2.gz KARDQYMBRPKAKC-MWLCHTKSSA-N 0 0 190.290 2.788 10 0 AFAERN CCC(C)(C)[C@H](O)c1cnc(C)s1 687849129 571843101 /nfs/dbraw/zinc/84/31/01/571843101.db2.gz AHGJEVRNNAGBJN-SECBINFHSA-N 0 0 199.319 2.921 10 0 AFAERN Cc1ccc(-c2nc[nH]c2C)cc1 5646497 571842996 /nfs/dbraw/zinc/84/29/96/571842996.db2.gz NHBLIVRDXPIMJW-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN O[C@H](CCCCC(F)F)C1CC1 687849920 571843010 /nfs/dbraw/zinc/84/30/10/571843010.db2.gz MRCCGPLPICZEHE-MRVPVSSYSA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccc(C)c(N)c1 233914345 571845308 /nfs/dbraw/zinc/84/53/08/571845308.db2.gz JKYFJHRJWSLMFA-BXKDBHETSA-N 0 0 190.290 2.788 10 0 AFAERN C[C@]12CCCC=C1CCC[C@@H]2O 38350336 571843291 /nfs/dbraw/zinc/84/32/91/571843291.db2.gz VEKMLSHPAQDUTQ-QWRGUYRKSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H](O)C1(CCCC(F)F)CC1 687852106 571843348 /nfs/dbraw/zinc/84/33/48/571843348.db2.gz XJRXTIDYRRSYIN-SSDOTTSWSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@]12CCCC=C1CCC[C@H]2O 38350338 571843379 /nfs/dbraw/zinc/84/33/79/571843379.db2.gz VEKMLSHPAQDUTQ-MNOVXSKESA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccc(N)cc1F 233914975 571843393 /nfs/dbraw/zinc/84/33/93/571843393.db2.gz FVSNYPCEWZPKKV-RDDDGLTNSA-N 0 0 194.253 2.618 10 0 AFAERN C[C@@H](O)[C@@H](C)CSc1ccccc1 34589986 571843507 /nfs/dbraw/zinc/84/35/07/571843507.db2.gz GJCOVXIWNBZFDP-VHSXEESVSA-N 0 0 196.315 2.796 10 0 AFAERN CC[C@@H]1CCCC[C@H]1C(=O)C(C)(C)O 233912929 571843508 /nfs/dbraw/zinc/84/35/08/571843508.db2.gz QIJVMPBMUIGHCC-NXEZZACHSA-N 0 0 198.306 2.543 10 0 AFAERN C[C@@H]1CC[C@@H]2[C@H](C1)C(=S)NC2(C)C 38338949 571843557 /nfs/dbraw/zinc/84/35/57/571843557.db2.gz WOSDGSQXGMMLHZ-HRDYMLBCSA-N 0 0 197.347 2.748 10 0 AFAERN CC[C@H]1C[C@H](C(C)=O)C1(C)C 5651515 571843598 /nfs/dbraw/zinc/84/35/98/571843598.db2.gz XNOFWVNVNSRMKB-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1cc(C)ccc1N 233912793 571843599 /nfs/dbraw/zinc/84/35/99/571843599.db2.gz QUHZGGZCGKREDG-MWLCHTKSSA-N 0 0 190.290 2.788 10 0 AFAERN Cc1ccc2c(c1C)[C@@H](O)CCC2 38350436 571843733 /nfs/dbraw/zinc/84/37/33/571843733.db2.gz NWZUZRVYNOCWDR-NSHDSACASA-N 0 0 176.259 2.673 10 0 AFAERN CC[C@H](C)C(=O)CCCC/C=C/CO 200035871 571843801 /nfs/dbraw/zinc/84/38/01/571843801.db2.gz VTQMBGJSOIVIJT-IOCXFXADSA-N 0 0 198.306 2.711 10 0 AFAERN CCC[C@@H]1CCC(=O)c2cccn21 38324989 571843847 /nfs/dbraw/zinc/84/38/47/571843847.db2.gz XAAQQSKDMDSESI-SECBINFHSA-N 0 0 177.247 2.806 10 0 AFAERN CCCC1(C(=O)[C@@H]2CCCOC2)CC1 687803569 571843868 /nfs/dbraw/zinc/84/38/68/571843868.db2.gz GHGGPCBOEZKYCT-SNVBAGLBSA-N 0 0 196.290 2.562 10 0 AFAERN O[C@@H](CCCCC(F)F)C1CC1 687849928 571843871 /nfs/dbraw/zinc/84/38/71/571843871.db2.gz MRCCGPLPICZEHE-QMMMGPOBSA-N 0 0 178.222 2.583 10 0 AFAERN CC1=C[C@H](CC(C)C)OCC1 5767374 571848394 /nfs/dbraw/zinc/84/83/94/571848394.db2.gz DGADRHUEAJVDQN-JTQLQIEISA-N 0 0 154.253 2.768 10 0 AFAERN Fc1cccc(Cc2ccncc2)c1 38312574 571843907 /nfs/dbraw/zinc/84/39/07/571843907.db2.gz ISOCMXNPWANRTM-UHFFFAOYSA-N 0 0 187.217 2.812 10 0 AFAERN CC1(C)C[C@@H]2CC3=C(CCC3)[C@@H]2[C@H]1O 38312699 571843923 /nfs/dbraw/zinc/84/39/23/571843923.db2.gz XOZUNMPTOMRBML-MVWJERBFSA-N 0 0 192.302 2.894 10 0 AFAERN CC[C@H](O)[C@@H](C)CCCC(F)F 687849694 571843971 /nfs/dbraw/zinc/84/39/71/571843971.db2.gz LFWLTSZWCGGSFU-YUMQZZPRSA-N 0 0 180.238 2.829 10 0 AFAERN C[C@H](F)c1ncnc(Cl)c1Cl 38325203 571843985 /nfs/dbraw/zinc/84/39/85/571843985.db2.gz BZAHCTXWHBGSRK-VKHMYHEASA-N 0 0 195.024 2.814 10 0 AFAERN CC[C@@H](O)[C@@H](C)CCCC(F)F 687849691 571843995 /nfs/dbraw/zinc/84/39/95/571843995.db2.gz LFWLTSZWCGGSFU-JGVFFNPUSA-N 0 0 180.238 2.829 10 0 AFAERN CC(=O)c1ccc2cccccc1-2 38338513 571844135 /nfs/dbraw/zinc/84/41/35/571844135.db2.gz ZHXBSSXNKXXLOK-UHFFFAOYSA-N 0 0 170.211 2.994 10 0 AFAERN C[C@@H](CCO)SCCCC(F)F 687854804 571848403 /nfs/dbraw/zinc/84/84/03/571848403.db2.gz HBBBYRRBQXWCHJ-ZETCQYMHSA-N 0 0 198.278 2.536 10 0 AFAERN C[C@H]1CC[C@@H]2[C@H](O)CC(C)(C)C[C@H]12 38434402 571848245 /nfs/dbraw/zinc/84/82/45/571848245.db2.gz YZHLPBZDVXBWCB-UKKRHICBSA-N 0 0 182.307 2.830 10 0 AFAERN C=C(Br)c1cccc(N)c1 38325249 571844315 /nfs/dbraw/zinc/84/43/15/571844315.db2.gz IEYYHOYZJBJTHN-UHFFFAOYSA-N 0 0 198.063 2.634 10 0 AFAERN C[C@@]12CCCC=C1CCC[C@H]2O 38350337 571844372 /nfs/dbraw/zinc/84/43/72/571844372.db2.gz VEKMLSHPAQDUTQ-GHMZBOCLSA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@@H](O)[C@H](C)CCCC(F)F 687849690 571844385 /nfs/dbraw/zinc/84/43/85/571844385.db2.gz LFWLTSZWCGGSFU-HTQZYQBOSA-N 0 0 180.238 2.829 10 0 AFAERN C[C@@H](F)c1ncnc(Cl)c1Cl 38325204 571844536 /nfs/dbraw/zinc/84/45/36/571844536.db2.gz BZAHCTXWHBGSRK-GSVOUGTGSA-N 0 0 195.024 2.814 10 0 AFAERN CCCC1(C(=O)[C@H]2CCCOC2)CC1 687803568 571844580 /nfs/dbraw/zinc/84/45/80/571844580.db2.gz GHGGPCBOEZKYCT-JTQLQIEISA-N 0 0 196.290 2.562 10 0 AFAERN CC[C@H]1CCC[C@@H]1NOCC(C)C 229642565 571848572 /nfs/dbraw/zinc/84/85/72/571848572.db2.gz NGWUYCVDITZFEV-QWRGUYRKSA-N 0 0 185.311 2.742 10 0 AFAERN CCc1ccc(C=O)c(CC)c1 38338429 571844953 /nfs/dbraw/zinc/84/49/53/571844953.db2.gz CPPITSMXAYVPEL-UHFFFAOYSA-N 0 0 162.232 2.624 10 0 AFAERN C[C@@]12CCCC=C1CCC[C@@H]2O 38350335 571845022 /nfs/dbraw/zinc/84/50/22/571845022.db2.gz VEKMLSHPAQDUTQ-WDEREUQCSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccc2c(c1C)[C@H](O)CCC2 38350435 571845032 /nfs/dbraw/zinc/84/50/32/571845032.db2.gz NWZUZRVYNOCWDR-LLVKDONJSA-N 0 0 176.259 2.673 10 0 AFAERN CC[C@H]1C[C@@H](C(C)=O)C1(C)C 5651522 571845053 /nfs/dbraw/zinc/84/50/53/571845053.db2.gz XNOFWVNVNSRMKB-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(C)(C)[C@@H](O)c1cnc(C)s1 687849150 571845074 /nfs/dbraw/zinc/84/50/74/571845074.db2.gz AHGJEVRNNAGBJN-VIFPVBQESA-N 0 0 199.319 2.921 10 0 AFAERN CC(=O)CCNc1ccc(Cl)cc1 38312812 571845244 /nfs/dbraw/zinc/84/52/44/571845244.db2.gz RVJYAGPYRPAWPI-UHFFFAOYSA-N 0 0 197.665 2.731 10 0 AFAERN c1ccc2c(c1)CCc1cc[nH]c1-2 5738787 571845408 /nfs/dbraw/zinc/84/54/08/571845408.db2.gz UQLUVOPXYYUFSB-UHFFFAOYSA-N 0 0 169.227 2.780 10 0 AFAERN CC[C@H](O)[C@H](C)CCCC(F)F 687849692 571845430 /nfs/dbraw/zinc/84/54/30/571845430.db2.gz LFWLTSZWCGGSFU-SFYZADRCSA-N 0 0 180.238 2.829 10 0 AFAERN Cc1c(O)cc2cc(C=O)oc2c1C 38409886 571845912 /nfs/dbraw/zinc/84/59/12/571845912.db2.gz RLJASJVRKZVWJD-UHFFFAOYSA-N 0 0 190.198 2.568 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1cccc(N)c1C 233915379 571845929 /nfs/dbraw/zinc/84/59/29/571845929.db2.gz NAEONKBEIOVTTG-BXKDBHETSA-N 0 0 190.290 2.788 10 0 AFAERN O=C1CC[C@@H]2C[C@H]2c2ccccc21 38434077 571846006 /nfs/dbraw/zinc/84/60/06/571846006.db2.gz STWOICPNKNWVIU-LDYMZIIASA-N 0 0 172.227 2.767 10 0 AFAERN O[C@@H]1CCCC[C@@H]1CCCC(F)F 687852656 571846023 /nfs/dbraw/zinc/84/60/23/571846023.db2.gz ZWULJWSVZQCDRA-RKDXNWHRSA-N 0 0 192.249 2.973 10 0 AFAERN O[C@H]1CCCC[C@H]1CCCC(F)F 687852655 571846063 /nfs/dbraw/zinc/84/60/63/571846063.db2.gz ZWULJWSVZQCDRA-IUCAKERBSA-N 0 0 192.249 2.973 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1cccc(F)c1N 233915353 571846068 /nfs/dbraw/zinc/84/60/68/571846068.db2.gz MADSYPLOHCSCSP-GMSGAONNSA-N 0 0 194.253 2.618 10 0 AFAERN CC[C@H](CCCC(F)F)[C@@H](C)O 687851350 571846073 /nfs/dbraw/zinc/84/60/73/571846073.db2.gz SMFUZJZNBWOPPJ-HTQZYQBOSA-N 0 0 180.238 2.829 10 0 AFAERN CCC(=O)c1ccc(N=O)cc1 5818771 571846079 /nfs/dbraw/zinc/84/60/79/571846079.db2.gz VUHULBJCIYOTTK-UHFFFAOYSA-N 0 0 163.176 2.677 10 0 AFAERN CC[C@@H]1C[C@H]1Nc1ccc(N)c(C)c1 233914723 571846095 /nfs/dbraw/zinc/84/60/95/571846095.db2.gz JVHSHJRQTYMPTP-BXKDBHETSA-N 0 0 190.290 2.788 10 0 AFAERN COc1c(C)ccc(C(C)C)c1C=O 38363497 571846159 /nfs/dbraw/zinc/84/61/59/571846159.db2.gz OTOXUECVJAALOW-UHFFFAOYSA-N 0 0 192.258 2.940 10 0 AFAERN C[C@]12CCC[C@](C)(CC1)C2=O 5750882 571846178 /nfs/dbraw/zinc/84/61/78/571846178.db2.gz MFKQEGZHSFZHAH-AOOOYVTPSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@@H](O)[C@@H](C)SCCCC(F)F 687854878 571846241 /nfs/dbraw/zinc/84/62/41/571846241.db2.gz HNFVXEADAXFHRP-RNFRBKRXSA-N 0 0 198.278 2.534 10 0 AFAERN C[C@H](SCCCC(F)F)[C@@H](C)O 687854879 571846298 /nfs/dbraw/zinc/84/62/98/571846298.db2.gz HNFVXEADAXFHRP-RQJHMYQMSA-N 0 0 198.278 2.534 10 0 AFAERN CC(C)(CO)SCCCC(F)F 687854160 571846406 /nfs/dbraw/zinc/84/64/06/571846406.db2.gz DANKXBJHCGXXTI-UHFFFAOYSA-N 0 0 198.278 2.536 10 0 AFAERN C[C@@]12CCCC[C@H]1C(=O)CC2 38433779 571846437 /nfs/dbraw/zinc/84/64/37/571846437.db2.gz PIYXYHCDERFJBJ-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@H](O)CC/C=C/c1ccccc1 38434133 571846446 /nfs/dbraw/zinc/84/64/46/571846446.db2.gz LRZPIGKETDANGW-RUYJGKKWSA-N 0 0 176.259 2.861 10 0 AFAERN CCCC[C@]12CC(=O)CC[C@H]1C2 38433954 571846449 /nfs/dbraw/zinc/84/64/49/571846449.db2.gz LSDPCNZMJPZERN-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CC1=C(C/C=C/CO)CCCC1 38415978 571846465 /nfs/dbraw/zinc/84/64/65/571846465.db2.gz WZLNUJKDCACAQL-SNAWJCMRSA-N 0 0 166.264 2.816 10 0 AFAERN CC[C@@H]1C[C@H]1[C@H](O)c1cnc(C)s1 687851243 571846561 /nfs/dbraw/zinc/84/65/61/571846561.db2.gz ISFVTVKQEAMHTH-MRTMQBJTSA-N 0 0 197.303 2.531 10 0 AFAERN Cc1ccc2c3c([nH]c2n1)CCCC3 5798952 571846623 /nfs/dbraw/zinc/84/66/23/571846623.db2.gz VPTJWHNFMJEHTC-UHFFFAOYSA-N 0 0 186.258 2.750 10 0 AFAERN C[C@@]12CCCC[C@@H]1C(=O)CC2 38433777 571846627 /nfs/dbraw/zinc/84/66/27/571846627.db2.gz PIYXYHCDERFJBJ-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ncc([C@@H](O)CC2(C)CC2)s1 687854564 571846675 /nfs/dbraw/zinc/84/66/75/571846675.db2.gz UHXXCAOBDVZPOJ-QMMMGPOBSA-N 0 0 197.303 2.675 10 0 AFAERN CC(C)(C)CC[C@H](CCC1CC1)NN 300719083 571846768 /nfs/dbraw/zinc/84/67/68/571846768.db2.gz BCSFTUBQQDVUKW-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN CC[C@@H]1C[C@@H]1[C@H](O)c1cnc(C)s1 687851248 571846796 /nfs/dbraw/zinc/84/67/96/571846796.db2.gz ISFVTVKQEAMHTH-WEDXCCLWSA-N 0 0 197.303 2.531 10 0 AFAERN Cc1ccc(Cc2ccccc2)[nH]1 38416047 571846881 /nfs/dbraw/zinc/84/68/81/571846881.db2.gz ZKNMSQOOVHDOEL-UHFFFAOYSA-N 0 0 171.243 2.914 10 0 AFAERN C[C@H](O)[C@H](C)SCCCC(F)F 687854874 571846926 /nfs/dbraw/zinc/84/69/26/571846926.db2.gz HNFVXEADAXFHRP-BQBZGAKWSA-N 0 0 198.278 2.534 10 0 AFAERN CCC[C@H]1CCC(C)(C)C[C@@H]1O 221075332 571846936 /nfs/dbraw/zinc/84/69/36/571846936.db2.gz XWJGDROIVXISQM-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(CC)[C@](C)(O)CC 5819212 571846954 /nfs/dbraw/zinc/84/69/54/571846954.db2.gz DUGZCTGTSJAPCV-SECBINFHSA-N 0 0 144.258 2.584 10 0 AFAERN C=C(c1cncs1)c1cncs1 38416529 571846974 /nfs/dbraw/zinc/84/69/74/571846974.db2.gz UORUKMVVDWQUFH-UHFFFAOYSA-N 0 0 194.284 2.661 10 0 AFAERN CCC[C@H](O)[C@H]1C=CCCC1 38415858 571847015 /nfs/dbraw/zinc/84/70/15/571847015.db2.gz MATBUYKZUMIADP-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@]12CCCC[C@@H]1C(=O)CC2 38433778 571847110 /nfs/dbraw/zinc/84/71/10/571847110.db2.gz PIYXYHCDERFJBJ-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN CCC(CC)C1OCC(C)(C)CO1 5819061 571847158 /nfs/dbraw/zinc/84/71/58/571847158.db2.gz JMPWPSASOPWBJF-UHFFFAOYSA-N 0 0 186.295 2.822 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ccc(C)c(N)c1 233918492 571847292 /nfs/dbraw/zinc/84/72/92/571847292.db2.gz JKYFJHRJWSLMFA-SKDRFNHKSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H](CCCC(F)F)[C@@H](C)O 687851352 571847510 /nfs/dbraw/zinc/84/75/10/571847510.db2.gz SMFUZJZNBWOPPJ-SFYZADRCSA-N 0 0 180.238 2.829 10 0 AFAERN CC[C@H](CCCC(F)F)[C@H](C)O 687851351 571847541 /nfs/dbraw/zinc/84/75/41/571847541.db2.gz SMFUZJZNBWOPPJ-JGVFFNPUSA-N 0 0 180.238 2.829 10 0 AFAERN C[C@]12CCCC[C@H]1C(=O)CC2 38433780 571847548 /nfs/dbraw/zinc/84/75/48/571847548.db2.gz PIYXYHCDERFJBJ-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cc(C)ccc1N 233917104 571847619 /nfs/dbraw/zinc/84/76/19/571847619.db2.gz QUHZGGZCGKREDG-KOLCDFICSA-N 0 0 190.290 2.788 10 0 AFAERN CC(C)[C@H]1[C@H](O)C[C@@H]2C[C@H]1C2(C)C 38416239 571847677 /nfs/dbraw/zinc/84/76/77/571847677.db2.gz GDPUUYXLPXUCEL-LNFKQOIKSA-N 0 0 182.307 2.686 10 0 AFAERN C[C@H](CCO)SCCCC(F)F 687854803 571847695 /nfs/dbraw/zinc/84/76/95/571847695.db2.gz HBBBYRRBQXWCHJ-SSDOTTSWSA-N 0 0 198.278 2.536 10 0 AFAERN Cc1cc[nH]c1-c1ccccc1 38433842 571847744 /nfs/dbraw/zinc/84/77/44/571847744.db2.gz PXJOITICSNLQRM-UHFFFAOYSA-N 0 0 157.216 2.990 10 0 AFAERN O=C1CC[C@H]2CCCCC[C@@H]12 28545760 571847808 /nfs/dbraw/zinc/84/78/08/571847808.db2.gz KOHZFTUBIQKPNF-RKDXNWHRSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ncc([C@H](O)CC2(C)CC2)s1 687854563 571847926 /nfs/dbraw/zinc/84/79/26/571847926.db2.gz UHXXCAOBDVZPOJ-MRVPVSSYSA-N 0 0 197.303 2.675 10 0 AFAERN C[C@H](O)[C@@H](C)SCCCC(F)F 687854876 571847958 /nfs/dbraw/zinc/84/79/58/571847958.db2.gz HNFVXEADAXFHRP-NKWVEPMBSA-N 0 0 198.278 2.534 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cccc(F)c1N 233919082 571848064 /nfs/dbraw/zinc/84/80/64/571848064.db2.gz MADSYPLOHCSCSP-XCBNKYQSSA-N 0 0 194.253 2.618 10 0 AFAERN Nc1ccc(N)c(-c2ccsc2)c1 38482199 571848065 /nfs/dbraw/zinc/84/80/65/571848065.db2.gz HUGIREQZMZZHCH-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1ccc(N)cc1F 233918881 571848126 /nfs/dbraw/zinc/84/81/26/571848126.db2.gz FVSNYPCEWZPKKV-HQJQHLMTSA-N 0 0 194.253 2.618 10 0 AFAERN c1ccc(NCCn2cccc2)cc1 5800073 571848150 /nfs/dbraw/zinc/84/81/50/571848150.db2.gz VQELYMDFRVWCGB-UHFFFAOYSA-N 0 0 186.258 2.600 10 0 AFAERN C/C(=C\CC1=CCCCC1)CO 38522923 571848237 /nfs/dbraw/zinc/84/82/37/571848237.db2.gz GNVWWZSDJBLAIX-JXMROGBWSA-N 0 0 166.264 2.816 10 0 AFAERN CC(C)CCCCC1OCCO1 5757934 571848239 /nfs/dbraw/zinc/84/82/39/571848239.db2.gz PSXNQFWHCRYRHT-UHFFFAOYSA-N 0 0 172.268 2.576 10 0 AFAERN O=[N+]([O-])/C(=C\C1CC1)c1ccccc1 211613130 571848322 /nfs/dbraw/zinc/84/83/22/571848322.db2.gz JCPLGMZKCWUXEF-FLIBITNWSA-N 0 0 189.214 2.714 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cccc(N)c1C 233919103 571848444 /nfs/dbraw/zinc/84/84/44/571848444.db2.gz NAEONKBEIOVTTG-SKDRFNHKSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H]1C[C@H]1[C@@H](O)c1cnc(C)s1 687851245 571848578 /nfs/dbraw/zinc/84/85/78/571848578.db2.gz ISFVTVKQEAMHTH-NQMVMOMDSA-N 0 0 197.303 2.531 10 0 AFAERN O[C@@H]1CCCC[C@H]1CCCC(F)F 687852654 571848605 /nfs/dbraw/zinc/84/86/05/571848605.db2.gz ZWULJWSVZQCDRA-DTWKUNHWSA-N 0 0 192.249 2.973 10 0 AFAERN CC[C@@H]1C[C@@H]1[C@@H](O)c1cnc(C)s1 687851240 571848655 /nfs/dbraw/zinc/84/86/55/571848655.db2.gz ISFVTVKQEAMHTH-KHQFGBGNSA-N 0 0 197.303 2.531 10 0 AFAERN CC(C)C1=CC[C@]2(C)C(=O)CC[C@H]12 38434191 571848685 /nfs/dbraw/zinc/84/86/85/571848685.db2.gz SSTVCCVOLVPYCA-PWSUYJOCSA-N 0 0 178.275 2.958 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cc(C)cc(N)c1 233917071 571848703 /nfs/dbraw/zinc/84/87/03/571848703.db2.gz ISZHMAYQOGZYRA-SKDRFNHKSA-N 0 0 190.290 2.788 10 0 AFAERN CC(=O)Nc1cc2cccccc-2c1 38523473 571848730 /nfs/dbraw/zinc/84/87/30/571848730.db2.gz MDSSFBYPYSVTIN-UHFFFAOYSA-N 0 0 185.226 2.750 10 0 AFAERN O=C1CC[C@@H]2CCCCC[C@H]12 28545757 571848754 /nfs/dbraw/zinc/84/87/54/571848754.db2.gz KOHZFTUBIQKPNF-IUCAKERBSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@H](O)C(=O)CCC1CCCCC1 300719196 571848757 /nfs/dbraw/zinc/84/87/57/571848757.db2.gz AUCIKNRIPMZNPY-NSHDSACASA-N 0 0 198.306 2.687 10 0 AFAERN CC[C@@H](CCCC(F)F)[C@H](C)O 687851353 571848777 /nfs/dbraw/zinc/84/87/77/571848777.db2.gz SMFUZJZNBWOPPJ-YUMQZZPRSA-N 0 0 180.238 2.829 10 0 AFAERN O[C@H]1CCCC[C@@H]1CCCC(F)F 687852653 571848793 /nfs/dbraw/zinc/84/87/93/571848793.db2.gz ZWULJWSVZQCDRA-BDAKNGLRSA-N 0 0 192.249 2.973 10 0 AFAERN CCCc1cc(N(C)C)c(C)cc1O 38523664 571848736 /nfs/dbraw/zinc/84/87/36/571848736.db2.gz SYHUDUJFRKPKFW-UHFFFAOYSA-N 0 0 193.290 2.719 10 0 AFAERN CC(C)CC[C@]1(C)CCC(=O)O1 5759173 571848862 /nfs/dbraw/zinc/84/88/62/571848862.db2.gz ISDHGLPSHGTVBV-SNVBAGLBSA-N 0 0 170.252 2.518 10 0 AFAERN CC1(C)C(=O)C(C)(C)[C@H]2C=C[C@@H]1C2 38434188 571848959 /nfs/dbraw/zinc/84/89/59/571848959.db2.gz VXZVXJRYWBZJQZ-DTORHVGOSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)CON[C@H](C)C(C)(C)C 687804419 571848967 /nfs/dbraw/zinc/84/89/67/571848967.db2.gz FAMOAVBZYKVYGY-SECBINFHSA-N 0 0 173.300 2.598 10 0 AFAERN Cc1ccc2c(N=O)ccc(O)c2n1 28568628 571849010 /nfs/dbraw/zinc/84/90/10/571849010.db2.gz QSQNAANHYDBULV-UHFFFAOYSA-N 0 0 188.186 2.647 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cc(F)ccc1N 233917421 571849097 /nfs/dbraw/zinc/84/90/97/571849097.db2.gz MPFWZRATINZXKX-XCBNKYQSSA-N 0 0 194.253 2.618 10 0 AFAERN C[C@H]1CC[C@@H]2[C@H](CC1=O)C2(C)C 38522911 571849177 /nfs/dbraw/zinc/84/91/77/571849177.db2.gz HDRHQMPCRJHBSA-YIZRAAEISA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)(C)CC[C@@H](CCC1CC1)NN 300719082 571849265 /nfs/dbraw/zinc/84/92/65/571849265.db2.gz BCSFTUBQQDVUKW-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN CC(C)CON[C@@H](C)C(C)(C)C 687804420 571849293 /nfs/dbraw/zinc/84/92/93/571849293.db2.gz FAMOAVBZYKVYGY-VIFPVBQESA-N 0 0 173.300 2.598 10 0 AFAERN O=C1CC[C@H]2CCCCC[C@H]12 28545758 571849328 /nfs/dbraw/zinc/84/93/28/571849328.db2.gz KOHZFTUBIQKPNF-BDAKNGLRSA-N 0 0 152.237 2.546 10 0 AFAERN C=C(c1ccncc1)c1ccncc1 38523401 571849337 /nfs/dbraw/zinc/84/93/37/571849337.db2.gz DXALJRUZETYLHM-UHFFFAOYSA-N 0 0 182.226 2.538 10 0 AFAERN C[C@@H](O)c1cccc2cccc(O)c12 38523538 571849341 /nfs/dbraw/zinc/84/93/41/571849341.db2.gz QTHVOOQFTYYMAE-MRVPVSSYSA-N 0 0 188.226 2.599 10 0 AFAERN CC[C@@H](O)C(=O)CCC1CCCCC1 300719195 571849373 /nfs/dbraw/zinc/84/93/73/571849373.db2.gz AUCIKNRIPMZNPY-LLVKDONJSA-N 0 0 198.306 2.687 10 0 AFAERN CC(C)(C)Nc1cccnc1Cl 38434477 571849385 /nfs/dbraw/zinc/84/93/85/571849385.db2.gz HTWCUJXRKJJWEX-UHFFFAOYSA-N 0 0 184.670 2.945 10 0 AFAERN O[C@]1(C2CC2)CCCc2ccccc21 38434598 571849523 /nfs/dbraw/zinc/84/95/23/571849523.db2.gz JITJWOMXZFBIHS-ZDUSSCGKSA-N 0 0 188.270 2.621 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cccc(C)c1N 233919032 571849563 /nfs/dbraw/zinc/84/95/63/571849563.db2.gz KARDQYMBRPKAKC-KOLCDFICSA-N 0 0 190.290 2.788 10 0 AFAERN c1coc(-c2cnc3[nH]ccc3c2)c1 38476047 571849576 /nfs/dbraw/zinc/84/95/76/571849576.db2.gz KMNHLLJRYQQXBF-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN C=C(c1cccnc1)c1cccnc1 38523400 571849681 /nfs/dbraw/zinc/84/96/81/571849681.db2.gz UFEYQIZCSXUQKM-UHFFFAOYSA-N 0 0 182.226 2.538 10 0 AFAERN C/C=C\CCc1ccccc1N 144109725 571849821 /nfs/dbraw/zinc/84/98/21/571849821.db2.gz WMWFAZANMLQDHI-IHWYPQMZSA-N 0 0 161.248 2.778 10 0 AFAERN CC(C)CONCCC1CCCC1 300718484 571849849 /nfs/dbraw/zinc/84/98/49/571849849.db2.gz AJCFNDLEZDZUSQ-UHFFFAOYSA-N 0 0 185.311 2.744 10 0 AFAERN C[C@H](O)c1cccc2cccc(O)c12 38523537 571849893 /nfs/dbraw/zinc/84/98/93/571849893.db2.gz QTHVOOQFTYYMAE-QMMMGPOBSA-N 0 0 188.226 2.599 10 0 AFAERN CCCCC[C@@H](CC)CO 5820849 571849927 /nfs/dbraw/zinc/84/99/27/571849927.db2.gz QNJAZNNWHWYOEO-SECBINFHSA-N 0 0 144.258 2.585 10 0 AFAERN CCC(=O)c1nc2ccccc2s1 38482208 571849949 /nfs/dbraw/zinc/84/99/49/571849949.db2.gz SRZUIQKDTSRZNK-UHFFFAOYSA-N 0 0 191.255 2.889 10 0 AFAERN O=C1CC[C@@H]2CCCCC[C@@H]12 28545759 571850155 /nfs/dbraw/zinc/85/01/55/571850155.db2.gz KOHZFTUBIQKPNF-DTWKUNHWSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@@H]1C[C@@H]1Nc1cc(N)cc(F)c1 233917562 571850241 /nfs/dbraw/zinc/85/02/41/571850241.db2.gz DQBHSNXVRWJMII-HQJQHLMTSA-N 0 0 194.253 2.618 10 0 AFAERN CC[C@H](C)c1ccc(O)c(OC)c1 38476044 571850321 /nfs/dbraw/zinc/85/03/21/571850321.db2.gz NZMDLYSPLDSXLQ-QMMMGPOBSA-N 0 0 180.247 2.914 10 0 AFAERN C[C@@H](CC(F)F)CC1([C@@H](C)O)CC1 687855217 571850361 /nfs/dbraw/zinc/85/03/61/571850361.db2.gz FLAFPYMFEXSEOF-JGVFFNPUSA-N 0 0 192.249 2.829 10 0 AFAERN CCCC[C@](C)(O)c1cnc(C)s1 687855340 571850476 /nfs/dbraw/zinc/85/04/76/571850476.db2.gz XJIDSIJLVRBHMW-JTQLQIEISA-N 0 0 199.319 2.849 10 0 AFAERN CC[C@@H](C)c1ccc(O)c(OC)c1 38476043 571850494 /nfs/dbraw/zinc/85/04/94/571850494.db2.gz NZMDLYSPLDSXLQ-MRVPVSSYSA-N 0 0 180.247 2.914 10 0 AFAERN CCCCCCOCCC 5820323 571850521 /nfs/dbraw/zinc/85/05/21/571850521.db2.gz JLQBXJSLMWXEFL-UHFFFAOYSA-N 0 0 144.258 2.993 10 0 AFAERN CC[C@H](CC[C@H](C)O)CC(F)F 687856559 571850535 /nfs/dbraw/zinc/85/05/35/571850535.db2.gz JAZXFEOKJPBQLO-JGVFFNPUSA-N 0 0 180.238 2.829 10 0 AFAERN O=C1CC[C@H]2C[C@@H]2c2ccccc21 38523192 571850543 /nfs/dbraw/zinc/85/05/43/571850543.db2.gz STWOICPNKNWVIU-KWQFWETISA-N 0 0 172.227 2.767 10 0 AFAERN CCCCC[C@H](CC)CO 5820985 571850544 /nfs/dbraw/zinc/85/05/44/571850544.db2.gz QNJAZNNWHWYOEO-VIFPVBQESA-N 0 0 144.258 2.585 10 0 AFAERN C[C@H](CC(F)F)CC1([C@H](C)O)CC1 687855218 571850589 /nfs/dbraw/zinc/85/05/89/571850589.db2.gz FLAFPYMFEXSEOF-SFYZADRCSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@H](O)C1(C[C@@H](C)CC(F)F)CC1 687855219 571850591 /nfs/dbraw/zinc/85/05/91/571850591.db2.gz FLAFPYMFEXSEOF-YUMQZZPRSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@@H](CC[C@@H](C)O)CC(F)F 687856579 571850610 /nfs/dbraw/zinc/85/06/10/571850610.db2.gz JAZXFEOKJPBQLO-SFYZADRCSA-N 0 0 180.238 2.829 10 0 AFAERN CCNC(=O)Sc1ccccc1 5852637 571850619 /nfs/dbraw/zinc/85/06/19/571850619.db2.gz SYAZQKDGCCZTGA-UHFFFAOYSA-N 0 0 181.260 2.508 10 0 AFAERN CC[C@@H]1CCC[C@H](c2nc(O)c[nH]2)C1 233921404 571850662 /nfs/dbraw/zinc/85/06/62/571850662.db2.gz VTDTVORBKSVPOZ-BDAKNGLRSA-N 0 0 194.278 2.799 10 0 AFAERN O[C@@H](CCC1CCCC1)C(F)F 300719251 571850905 /nfs/dbraw/zinc/85/09/05/571850905.db2.gz AWADBBNALIUMHM-QMMMGPOBSA-N 0 0 178.222 2.583 10 0 AFAERN Oc1ccccc1-n1ccc(Cl)c1 38584427 571852231 /nfs/dbraw/zinc/85/22/31/571852231.db2.gz NQZPVKNBHCOYKA-UHFFFAOYSA-N 0 0 193.633 2.836 10 0 AFAERN O=Nc1cc(Cl)nc(Cl)c1 38540138 571852233 /nfs/dbraw/zinc/85/22/33/571852233.db2.gz XDNPBPMCLZFGEH-UHFFFAOYSA-N 0 0 176.990 2.786 10 0 AFAERN CCCC[C@@](C)(O)c1cnc(C)s1 687855342 571851000 /nfs/dbraw/zinc/85/10/00/571851000.db2.gz XJIDSIJLVRBHMW-SNVBAGLBSA-N 0 0 199.319 2.849 10 0 AFAERN CC[C@@H]1CCC[C@@H](c2nc(O)c[nH]2)C1 233923718 571852234 /nfs/dbraw/zinc/85/22/34/571852234.db2.gz VTDTVORBKSVPOZ-RKDXNWHRSA-N 0 0 194.278 2.799 10 0 AFAERN C[C@H](CO)CCCC1CCCC1 300720161 571852240 /nfs/dbraw/zinc/85/22/40/571852240.db2.gz BGDJPKAZJQJQLT-JTQLQIEISA-N 0 0 170.296 2.975 10 0 AFAERN CC/C=C/C(=O)OCCC(C)C 214648374 571851077 /nfs/dbraw/zinc/85/10/77/571851077.db2.gz NBDCVXXLBQZHQM-AATRIKPKSA-N 0 0 170.252 2.542 10 0 AFAERN C/C=C(\[C@H](O)CCC)[Si](C)(C)C 205201952 571851094 /nfs/dbraw/zinc/85/10/94/571851094.db2.gz KJBHMOHFPVDBLH-YIXGCBLDSA-N 0 0 186.371 2.971 10 0 AFAERN C[C@H](CC(F)F)CC1([C@@H](C)O)CC1 687855216 571851153 /nfs/dbraw/zinc/85/11/53/571851153.db2.gz FLAFPYMFEXSEOF-HTQZYQBOSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)OC(=O)OCc1ccccc1 38584446 571851161 /nfs/dbraw/zinc/85/11/61/571851161.db2.gz GHRNHPXOBMGLGZ-UHFFFAOYSA-N 0 0 194.230 2.748 10 0 AFAERN C/C=C(/C)[C@H](O)CC=C(C)C 38643250 571851222 /nfs/dbraw/zinc/85/12/22/571851222.db2.gz DBDAINYAWYUITG-HYHWUIIZSA-N 0 0 154.253 2.670 10 0 AFAERN CCOC(=O)N1C2CCCC1CCC2 34593209 571851326 /nfs/dbraw/zinc/85/13/26/571851326.db2.gz ACFDTHBOKUMWFJ-UHFFFAOYSA-N 0 0 197.278 2.550 10 0 AFAERN CC[C@@H]1C[C@H]1n1c(C)cc(C=O)c1C 233922781 571853969 /nfs/dbraw/zinc/85/39/69/571853969.db2.gz IJNSULQPTVXNCX-ZYHUDNBSSA-N 0 0 191.274 2.888 10 0 AFAERN CC[C@@H]1C[C@@H]1n1c(C)cc(C=O)c1C 233924987 571851456 /nfs/dbraw/zinc/85/14/56/571851456.db2.gz IJNSULQPTVXNCX-PWSUYJOCSA-N 0 0 191.274 2.888 10 0 AFAERN C[C@@H](CO)CCCC1CCCC1 300720163 571851496 /nfs/dbraw/zinc/85/14/96/571851496.db2.gz BGDJPKAZJQJQLT-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@@H](C)OC(=O)NCCC(C)C 144314304 571851527 /nfs/dbraw/zinc/85/15/27/571851527.db2.gz ALKRVIKDZXMWJE-SECBINFHSA-N 0 0 187.283 2.557 10 0 AFAERN C[C@H](O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 38645969 571851532 /nfs/dbraw/zinc/85/15/32/571851532.db2.gz RWNIDCZYUGZZQU-USZNOCQGSA-N 0 0 182.307 2.974 10 0 AFAERN CCCC[C@@H](C)C(=O)CC 5821674 571851562 /nfs/dbraw/zinc/85/15/62/571851562.db2.gz NXWYGZOSQBYIAH-MRVPVSSYSA-N 0 0 142.242 2.792 10 0 AFAERN COC(C)(C)C[C@H](O)C1=CCCCC1 234647623 571851572 /nfs/dbraw/zinc/85/15/72/571851572.db2.gz HHWHLIQOGDWKGI-NSHDSACASA-N 0 0 198.306 2.663 10 0 AFAERN CCC(=O)O[C@@H]1CC[C@H]2CCC[C@@H]21 38646128 571851702 /nfs/dbraw/zinc/85/17/02/571851702.db2.gz BTWFKGTZSZVEEX-KXUCPTDWSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)OC(=O)C1CC(=O)CS1 725575989 571853279 /nfs/dbraw/zinc/85/32/79/571853279.db2.gz FLVFTSMIYSOUPX-UHFFFAOYSA-N 0 0 187.240 2.547 10 0 AFAERN CCCC[C@@H](CO)CCC 5822183 571851784 /nfs/dbraw/zinc/85/17/84/571851784.db2.gz JSUXZEJWGVYJJG-VIFPVBQESA-N 0 0 144.258 2.585 10 0 AFAERN CC[C@@H](CC[C@H](C)O)CC(F)F 687856582 571851800 /nfs/dbraw/zinc/85/18/00/571851800.db2.gz JAZXFEOKJPBQLO-YUMQZZPRSA-N 0 0 180.238 2.829 10 0 AFAERN CC(C)c1cccc2cc(=O)[nH]c-2c1 38583879 571851805 /nfs/dbraw/zinc/85/18/05/571851805.db2.gz KOYJWWKPGUZIAF-UHFFFAOYSA-N 0 0 187.242 2.603 10 0 AFAERN C=CC(=O)OC[C@H](C)CCCCC 5820831 571851870 /nfs/dbraw/zinc/85/18/70/571851870.db2.gz IJGPXKDCRJMTQS-SNVBAGLBSA-N 0 0 184.279 2.932 10 0 AFAERN CC(C)C(=O)O[C@@H]1CC[C@H]2CCC[C@@H]21 38646144 571851967 /nfs/dbraw/zinc/85/19/67/571851967.db2.gz GSLWKPBSLJVOJM-OUAUKWLOSA-N 0 0 196.290 2.764 10 0 AFAERN CCCC[P@](C)(=O)OCC 38582869 571851990 /nfs/dbraw/zinc/85/19/90/571851990.db2.gz CZDHEZPYSIYJEE-SNVBAGLBSA-N 0 0 164.185 2.731 10 0 AFAERN CCCC[C@H](CO)CCC 5821866 571851995 /nfs/dbraw/zinc/85/19/95/571851995.db2.gz JSUXZEJWGVYJJG-SECBINFHSA-N 0 0 144.258 2.585 10 0 AFAERN CCC(=O)O[C@H]1CCC=CCCC1 38647629 571852063 /nfs/dbraw/zinc/85/20/63/571852063.db2.gz GYPGHUSMHOALCO-JTQLQIEISA-N 0 0 182.263 2.829 10 0 AFAERN CCCC[C@H](C)C(=O)CC 5821995 571852043 /nfs/dbraw/zinc/85/20/43/571852043.db2.gz NXWYGZOSQBYIAH-QMMMGPOBSA-N 0 0 142.242 2.792 10 0 AFAERN CC(C)C(=O)O[C@@H]1CC[C@@H]2CCC[C@@H]21 38646152 571852258 /nfs/dbraw/zinc/85/22/58/571852258.db2.gz GSLWKPBSLJVOJM-GARJFASQSA-N 0 0 196.290 2.764 10 0 AFAERN CCC(=O)O[C@@H]1CC[C@@H]2CCC[C@@H]21 38646135 571852274 /nfs/dbraw/zinc/85/22/74/571852274.db2.gz BTWFKGTZSZVEEX-LPEHRKFASA-N 0 0 182.263 2.518 10 0 AFAERN CC1(C)CC(O)(CCCC(F)F)C1 687861033 571852529 /nfs/dbraw/zinc/85/25/29/571852529.db2.gz GGPLMQNOSKVPLV-UHFFFAOYSA-N 0 0 192.249 2.973 10 0 AFAERN C1=Cc2ccc3cccnc3c2NC1 5933836 571852625 /nfs/dbraw/zinc/85/26/25/571852625.db2.gz HIJDMCUGEMQNNA-UHFFFAOYSA-N 0 0 182.226 2.674 10 0 AFAERN CC1CCC([C@H](C)CCO)CC1 38632651 571852758 /nfs/dbraw/zinc/85/27/58/571852758.db2.gz KSOWZKVMSYHUKI-HSOILSAZSA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@H](CC[C@@H](C)O)CC(F)F 687856558 571852762 /nfs/dbraw/zinc/85/27/62/571852762.db2.gz JAZXFEOKJPBQLO-HTQZYQBOSA-N 0 0 180.238 2.829 10 0 AFAERN CCC(=O)O[C@@H]1CCC=CCCC1 38647632 571852767 /nfs/dbraw/zinc/85/27/67/571852767.db2.gz GYPGHUSMHOALCO-SNVBAGLBSA-N 0 0 182.263 2.829 10 0 AFAERN CCCC(=O)CC(C)(C)Cl 38582832 571852857 /nfs/dbraw/zinc/85/28/57/571852857.db2.gz PEIMCUMUVTWAEP-UHFFFAOYSA-N 0 0 162.660 2.763 10 0 AFAERN C[C@H](CC(F)F)C[C@@H](C)[C@@H](C)O 687860784 571852864 /nfs/dbraw/zinc/85/28/64/571852864.db2.gz WDYABZKBMMJNSV-XLPZGREQSA-N 0 0 180.238 2.685 10 0 AFAERN C[C@H](CC(F)F)C[C@@H]1CCC[C@H]1O 687860694 571852874 /nfs/dbraw/zinc/85/28/74/571852874.db2.gz VCJKHQXASRVELP-XHNCKOQMSA-N 0 0 192.249 2.829 10 0 AFAERN C/C=C(\[C@@H](O)CCC)[Si](C)(C)C 205201924 571852884 /nfs/dbraw/zinc/85/28/84/571852884.db2.gz KJBHMOHFPVDBLH-HZAKCSEPSA-N 0 0 186.371 2.971 10 0 AFAERN C[C@H](CC(F)F)C[C@H]1CCC[C@@H]1O 687860695 571852893 /nfs/dbraw/zinc/85/28/93/571852893.db2.gz VCJKHQXASRVELP-YIZRAAEISA-N 0 0 192.249 2.829 10 0 AFAERN CC1CCC([C@@H](C)CCO)CC1 38632649 571852912 /nfs/dbraw/zinc/85/29/12/571852912.db2.gz KSOWZKVMSYHUKI-YVNMAJEFSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@H](CC(F)F)C[C@H](C)[C@@H](C)O 687860780 571852930 /nfs/dbraw/zinc/85/29/30/571852930.db2.gz WDYABZKBMMJNSV-BIIVOSGPSA-N 0 0 180.238 2.685 10 0 AFAERN CCCC[P@@](C)(=O)OCC 38582872 571852971 /nfs/dbraw/zinc/85/29/71/571852971.db2.gz CZDHEZPYSIYJEE-JTQLQIEISA-N 0 0 164.185 2.731 10 0 AFAERN CC/C=C\C(=O)OCCC(C)C 214648322 571853153 /nfs/dbraw/zinc/85/31/53/571853153.db2.gz NBDCVXXLBQZHQM-WAYWQWQTSA-N 0 0 170.252 2.542 10 0 AFAERN OCC=C1[C@H]2CCC[C@@H]1[C@H]1CC[C@@H]2C1 38584275 571853176 /nfs/dbraw/zinc/85/31/76/571853176.db2.gz FCAWHROLTOTOKG-IWDIQUIJSA-N 0 0 192.302 2.751 10 0 AFAERN C/C=C(/C)[C@@H](O)CC=C(C)C 38643254 571853323 /nfs/dbraw/zinc/85/33/23/571853323.db2.gz DBDAINYAWYUITG-BSKOKIOFSA-N 0 0 154.253 2.670 10 0 AFAERN c1ccc2c(c1)[nH]c1cnsc12 38583264 571853405 /nfs/dbraw/zinc/85/34/05/571853405.db2.gz WVFAYMCRLNNBQS-UHFFFAOYSA-N 0 0 174.228 2.778 10 0 AFAERN C[C@@H]1CC(C)(C)c2ncccc21 205389031 571853407 /nfs/dbraw/zinc/85/34/07/571853407.db2.gz DXRJDQQWSKZCRH-MRVPVSSYSA-N 0 0 161.248 2.866 10 0 AFAERN C1=CC2=CC=C[C@@]23C=CC3=C1 205384660 571853427 /nfs/dbraw/zinc/85/34/27/571853427.db2.gz VSDLHTGAQLJQDK-LLVKDONJSA-N 0 0 140.185 2.535 10 0 AFAERN CCc1c[nH]c(=S)n1[C@@H]1C[C@H]1CC 233925133 571853490 /nfs/dbraw/zinc/85/34/90/571853490.db2.gz XREGKGAIJROTCU-VXNVDRBHSA-N 0 0 196.319 2.705 10 0 AFAERN CCc1c[nH]c(=S)n1[C@H]1C[C@H]1CC 233926595 571853543 /nfs/dbraw/zinc/85/35/43/571853543.db2.gz XREGKGAIJROTCU-APPZFPTMSA-N 0 0 196.319 2.705 10 0 AFAERN CC(C)[C@@H](O)c1cnc(C2CC2)s1 687861553 571853594 /nfs/dbraw/zinc/85/35/94/571853594.db2.gz HWRIPIMETNZLRQ-SECBINFHSA-N 0 0 197.303 2.710 10 0 AFAERN CC(C)c1cc2[nH]ccc2cc1O 38760617 571853889 /nfs/dbraw/zinc/85/38/89/571853889.db2.gz RXIIQJWEYYRTJS-UHFFFAOYSA-N 0 0 175.231 2.997 10 0 AFAERN CCc1c(O)ccc(OC)c1CC 38671886 571853919 /nfs/dbraw/zinc/85/39/19/571853919.db2.gz FMZCZZFWURQPAQ-UHFFFAOYSA-N 0 0 180.247 2.526 10 0 AFAERN CC(C)[C@@H]1CC[C@@H](C)[C@@H](CC(N)=O)C1 38672601 571853934 /nfs/dbraw/zinc/85/39/34/571853934.db2.gz VAEZVCSMJAXCQH-GMTAPVOTSA-N 0 0 197.322 2.570 10 0 AFAERN C/C=C(\C)c1nc(C(C)C)no1 379312338 571854025 /nfs/dbraw/zinc/85/40/25/571854025.db2.gz YXEWAOWTYISMQM-FNORWQNLSA-N 0 0 166.224 2.616 10 0 AFAERN C[C@H](CC(F)F)C[C@H](C)[C@H](C)O 687860781 571854044 /nfs/dbraw/zinc/85/40/44/571854044.db2.gz WDYABZKBMMJNSV-FXQIFTODSA-N 0 0 180.238 2.685 10 0 AFAERN C/C=C\[C@H](O)c1ccccc1C 379313685 571854051 /nfs/dbraw/zinc/85/40/51/571854051.db2.gz JHBYDFHINRLCSG-UUSYTGMJSA-N 0 0 162.232 2.605 10 0 AFAERN Cc1ccc([C@H]2SCCN2C)cc1 5968784 571855444 /nfs/dbraw/zinc/85/54/44/571855444.db2.gz XZTGNJGVJXSECN-LLVKDONJSA-N 0 0 193.315 2.672 10 0 AFAERN CC[C@@H]1C[C@@]1(O)[C@@H](C)c1ccccc1 233930633 571854199 /nfs/dbraw/zinc/85/41/99/571854199.db2.gz UINNIZSIBQDFIA-CYZMBNFOSA-N 0 0 190.286 2.951 10 0 AFAERN CCC[C@H](O)c1cnc(C2CC2)s1 687861543 571854372 /nfs/dbraw/zinc/85/43/72/571854372.db2.gz 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0 0 170.296 2.830 10 0 AFAERN C=Cc1cocc1C=C 196116756 571858116 /nfs/dbraw/zinc/85/81/16/571858116.db2.gz XANKKJZVYHLLIM-UHFFFAOYSA-N 0 0 120.151 2.566 10 0 AFAERN CC(C)=CC[C@H](C)[C@H](C)CO 6020454 571858180 /nfs/dbraw/zinc/85/81/80/571858180.db2.gz NEFLTGMRGQSVHM-VHSXEESVSA-N 0 0 156.269 2.607 10 0 AFAERN CC1(C)C=Nc2ccccc2N1 38810107 571858212 /nfs/dbraw/zinc/85/82/12/571858212.db2.gz VIWPSECTMUVDCC-UHFFFAOYSA-N 0 0 160.220 2.593 10 0 AFAERN O[C@H](Cc1ccccc1)c1ccco1 38811856 571858655 /nfs/dbraw/zinc/85/86/55/571858655.db2.gz PPQDAVYKMNUKCV-LLVKDONJSA-N 0 0 188.226 2.556 10 0 AFAERN Oc1ccc(-c2cccs2)c(O)c1 38846623 571858236 /nfs/dbraw/zinc/85/82/36/571858236.db2.gz ZYHIEAFCFOWKHE-UHFFFAOYSA-N 0 0 192.239 2.826 10 0 AFAERN C[C@@H]1CCC[C@]2(CCCC2=O)C1 38854102 571858318 /nfs/dbraw/zinc/85/83/18/571858318.db2.gz WQAJGLJDLUYISN-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc(C(C)C)cc(C)c1CO 196104917 571858328 /nfs/dbraw/zinc/85/83/28/571858328.db2.gz CSRFNEOWONSYED-UHFFFAOYSA-N 0 0 178.275 2.919 10 0 AFAERN CCc1ccc(C)c(NC(C)=O)c1 38842353 571858353 /nfs/dbraw/zinc/85/83/53/571858353.db2.gz QTDFZJPRESUVKM-UHFFFAOYSA-N 0 0 177.247 2.516 10 0 AFAERN Cc1cc2c([nH]1)CCCCC2 38864640 571859233 /nfs/dbraw/zinc/85/92/33/571859233.db2.gz CFELEVHLHJXOQT-UHFFFAOYSA-N 0 0 149.237 2.592 10 0 AFAERN O[C@H](CC1CC1)C12CCC(CC1)C2 711008282 571858489 /nfs/dbraw/zinc/85/84/89/571858489.db2.gz JLOXOSALBKILGU-MOENNCHZSA-N 0 0 180.291 2.728 10 0 AFAERN CC1=CC[C@H]([C@H](C)[C@@H](C)O)C1(C)C 38810428 571858597 /nfs/dbraw/zinc/85/85/97/571858597.db2.gz MDZJDCKLEDMFQI-GMTAPVOTSA-N 0 0 182.307 2.996 10 0 AFAERN CCCCCC1=CCC(=O)C1 196108629 571858645 /nfs/dbraw/zinc/85/86/45/571858645.db2.gz PFAPRFLLCQPLLA-UHFFFAOYSA-N 0 0 152.237 2.856 10 0 AFAERN CC(C)[C@@H](O)C(=O)CCC1CCCC1 300727674 571858697 /nfs/dbraw/zinc/85/86/97/571858697.db2.gz DQSOGBWXCTYPSH-GFCCVEGCSA-N 0 0 198.306 2.543 10 0 AFAERN O=C1N=C2CCCCCC2CS1 196101657 571858764 /nfs/dbraw/zinc/85/87/64/571858764.db2.gz OMRSDFQCSAYGOV-UHFFFAOYSA-N 0 0 183.276 2.661 10 0 AFAERN C[Si](C)(C)C[C@H]1CCCC[C@@H]1O 196119202 571858832 /nfs/dbraw/zinc/85/88/32/571858832.db2.gz MSRRHJSJDZKNRZ-ZJUUUORDSA-N 0 0 186.371 2.876 10 0 AFAERN ONc1ccc(Cl)c(Cl)c1 6092078 571858833 /nfs/dbraw/zinc/85/88/33/571858833.db2.gz AKSIQQBEDAZPLD-UHFFFAOYSA-N 0 0 178.018 2.795 10 0 AFAERN O=C(CCC1CCCC1)c1ncc[nH]1 300727186 571858947 /nfs/dbraw/zinc/85/89/47/571858947.db2.gz DMFFXWTTWUBQAX-UHFFFAOYSA-N 0 0 192.262 2.563 10 0 AFAERN CC1=CC(C)=N[C@H](c2ccccc2)N1 196104966 571859067 /nfs/dbraw/zinc/85/90/67/571859067.db2.gz ICXKQIPBQFMNBU-GFCCVEGCSA-N 0 0 186.258 2.653 10 0 AFAERN COC1=C2CCCC[C@]2(C)CC[C@H]1O 38866442 571859100 /nfs/dbraw/zinc/85/91/00/571859100.db2.gz YWPJXTRUGDPLCM-ZYHUDNBSSA-N 0 0 196.290 2.622 10 0 AFAERN Cc1cccc(C)c1CC[C@@H](C)O 38881783 571859191 /nfs/dbraw/zinc/85/91/91/571859191.db2.gz QKUJIJFWIPPRHV-LLVKDONJSA-N 0 0 178.275 2.617 10 0 AFAERN CC1(C)CC(=O)[C@H]2C[C@@H]1C2(C)C 196102184 571859239 /nfs/dbraw/zinc/85/92/39/571859239.db2.gz COBKZXSVCCODQR-APPZFPTMSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1C(=O)CCCc2ccccc21 196102274 571859316 /nfs/dbraw/zinc/85/93/16/571859316.db2.gz OOAGJTOGWRVDTG-VIFPVBQESA-N 0 0 174.243 2.696 10 0 AFAERN C=Cc1cnc(C)c(C=C)c1 38886806 571859369 /nfs/dbraw/zinc/85/93/69/571859369.db2.gz CJKNWVDRPUYRDM-UHFFFAOYSA-N 0 0 145.205 2.676 10 0 AFAERN CC(C)[C@H](O)C(=O)CCC1CCCC1 300727676 571859404 /nfs/dbraw/zinc/85/94/04/571859404.db2.gz DQSOGBWXCTYPSH-LBPRGKRZSA-N 0 0 198.306 2.543 10 0 AFAERN CC1CCC2(CCCC2=O)CC1 38854112 571859487 /nfs/dbraw/zinc/85/94/87/571859487.db2.gz AJXUTHNIRHGFKU-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN Oc1ccc(CC2CCCC2)c(O)c1 138941637 571859516 /nfs/dbraw/zinc/85/95/16/571859516.db2.gz IRHMNNXALKHJAK-UHFFFAOYSA-N 0 0 192.258 2.831 10 0 AFAERN CCC[C@H](O)[C@@H]1CCC[C@@H]1CC 229674927 571859639 /nfs/dbraw/zinc/85/96/39/571859639.db2.gz CBCFZPAFTTTWQB-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@H](Nc2[nH]cc[nH+]2)[C@@H]1C 235380645 571859656 /nfs/dbraw/zinc/85/96/56/571859656.db2.gz OVOWGESOZAGKDC-BBBLOLIVSA-N 0 0 193.294 2.646 10 0 AFAERN CCCC/C=C(/C)CCO 38881484 571859664 /nfs/dbraw/zinc/85/96/64/571859664.db2.gz PJQKGOHDVPQQAA-TWGQIWQCSA-N 0 0 142.242 2.505 10 0 AFAERN CCc1occc1[C@@H]([NH3+])C1=CCCC1 234246374 571861284 /nfs/dbraw/zinc/86/12/84/571861284.db2.gz RCRDFHPVVCZJKV-LBPRGKRZSA-N 0 0 191.274 2.952 10 0 AFAERN CC1(C)CC(=O)[C@@H]2C[C@H]1C2(C)C 196102193 571859802 /nfs/dbraw/zinc/85/98/02/571859802.db2.gz COBKZXSVCCODQR-IONNQARKSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H]1CCC[C@@]2(CCCC2=O)C1 38854110 571859840 /nfs/dbraw/zinc/85/98/40/571859840.db2.gz WQAJGLJDLUYISN-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)c1[nH]c(=O)cc2ccccc12 38875443 571859899 /nfs/dbraw/zinc/85/98/99/571859899.db2.gz YADKYOJGMQFPBX-UHFFFAOYSA-N 0 0 187.242 2.652 10 0 AFAERN C[C@@H]1CC(=O)C[C@@H](C)[Si]1(C)C 196105149 571859921 /nfs/dbraw/zinc/85/99/21/571859921.db2.gz PRBBDXVEVUYWLR-HTQZYQBOSA-N 0 0 170.328 2.838 10 0 AFAERN C[C@H]1CC(=O)C[C@H](C)[Si]1(C)C 196105136 571859948 /nfs/dbraw/zinc/85/99/48/571859948.db2.gz PRBBDXVEVUYWLR-YUMQZZPRSA-N 0 0 170.328 2.838 10 0 AFAERN CCc1cccc(N(C#N)CC)c1 38865392 571859951 /nfs/dbraw/zinc/85/99/51/571859951.db2.gz XEXSFWLJKHJADP-UHFFFAOYSA-N 0 0 174.247 2.556 10 0 AFAERN O[C@H](CCCC(F)F)CCC1CC1 687865763 571860005 /nfs/dbraw/zinc/86/00/05/571860005.db2.gz WRPNARRZBMKRHL-SECBINFHSA-N 0 0 192.249 2.973 10 0 AFAERN CCC/C=C/C=C\CCCO 111353088 571860046 /nfs/dbraw/zinc/86/00/46/571860046.db2.gz FJHNCSRGAAVOQK-DEQVHDEQSA-N 0 0 154.253 2.671 10 0 AFAERN CC(C)(C)c1ccc([S-])c(N)c1 38865635 571860121 /nfs/dbraw/zinc/86/01/21/571860121.db2.gz BPOOHQXPCUSWKE-UHFFFAOYSA-N 0 0 181.304 2.855 10 0 AFAERN C=Cc1cc2c(cc1Cl)OCO2 38880921 571860145 /nfs/dbraw/zinc/86/01/45/571860145.db2.gz DDKJYXSIIILMHR-UHFFFAOYSA-N 0 0 182.606 2.712 10 0 AFAERN c1ccc(CCC2=NCCS2)cc1 38866142 571860156 /nfs/dbraw/zinc/86/01/56/571860156.db2.gz VNEKKXBKPCMMJX-UHFFFAOYSA-N 0 0 191.299 2.765 10 0 AFAERN C[C@@H]1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2CC1=O 138923707 571860173 /nfs/dbraw/zinc/86/01/73/571860173.db2.gz VWFXPROOUAWFEE-NZHYYXIDSA-N 0 0 178.275 2.648 10 0 AFAERN C/C=C\CSCCC 113714981 571860174 /nfs/dbraw/zinc/86/01/74/571860174.db2.gz OLRUOANTFLACSQ-HYXAFXHYSA-N 0 0 130.256 2.706 10 0 AFAERN c1ccc(N[C@H]2CCCCO2)cc1 38881625 571860185 /nfs/dbraw/zinc/86/01/85/571860185.db2.gz FDOLMZBMSGLFHU-LLVKDONJSA-N 0 0 177.247 2.625 10 0 AFAERN C[C@@H]1CCC[C@@]2(CCCC2=O)C1 38854108 571860208 /nfs/dbraw/zinc/86/02/08/571860208.db2.gz WQAJGLJDLUYISN-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN c1ccc2c(c1)CCCS2 6117223 571860210 /nfs/dbraw/zinc/86/02/10/571860210.db2.gz WPWNEKFMGCWNPR-UHFFFAOYSA-N 0 0 150.246 2.725 10 0 AFAERN COC1=C2CCCC[C@@]2(C)CC[C@@H]1O 38866444 571860247 /nfs/dbraw/zinc/86/02/47/571860247.db2.gz YWPJXTRUGDPLCM-JQWIXIFHSA-N 0 0 196.290 2.622 10 0 AFAERN CCCc1ccc(C)c(O)c1C 138941652 571860324 /nfs/dbraw/zinc/86/03/24/571860324.db2.gz HJPICRYOHOZPSA-UHFFFAOYSA-N 0 0 164.248 2.962 10 0 AFAERN CC(=O)CCCc1c(F)cccc1F 84932295 571860382 /nfs/dbraw/zinc/86/03/82/571860382.db2.gz KCEBJNOXJDMBCN-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN COC1=C2CCCC[C@@]2(C)CC[C@H]1O 38866439 571860383 /nfs/dbraw/zinc/86/03/83/571860383.db2.gz YWPJXTRUGDPLCM-PWSUYJOCSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)(C)OC(=O)C12CCC(CC1)C2 113326522 571861308 /nfs/dbraw/zinc/86/13/08/571861308.db2.gz NCIYFWDRASDPST-UHFFFAOYSA-N 0 0 196.290 2.908 10 0 AFAERN c1cc2ccc3ccc(c1)n23 6094923 571860451 /nfs/dbraw/zinc/86/04/51/571860451.db2.gz DTPOQEUUHFQKSS-UHFFFAOYSA-N 0 0 141.173 2.530 10 0 AFAERN Cc1cc(C)c(C)c(=O)c(C)c1C 138936483 571860510 /nfs/dbraw/zinc/86/05/10/571860510.db2.gz FXWFZCJDYQKZIZ-UHFFFAOYSA-N 0 0 176.259 2.589 10 0 AFAERN Cc1cccc(C)c1CC[C@H](C)O 38881784 571860527 /nfs/dbraw/zinc/86/05/27/571860527.db2.gz QKUJIJFWIPPRHV-NSHDSACASA-N 0 0 178.275 2.617 10 0 AFAERN c1cc(N2CCCCC2)cs1 38881728 571860540 /nfs/dbraw/zinc/86/05/40/571860540.db2.gz JRILRCKBPAHBQO-UHFFFAOYSA-N 0 0 167.277 2.738 10 0 AFAERN CCc1ccc(Cl)s1 38887676 571860598 /nfs/dbraw/zinc/86/05/98/571860598.db2.gz SPBAVQRXIPHAMH-UHFFFAOYSA-N 0 0 146.642 2.964 10 0 AFAERN C=COCC(CC)CC 38880296 571860620 /nfs/dbraw/zinc/86/06/20/571860620.db2.gz WDGNEDMGRQQNNI-UHFFFAOYSA-N 0 0 128.215 2.583 10 0 AFAERN O=C1Nc2cccc3cc(F)cc1c23 196113277 571860661 /nfs/dbraw/zinc/86/06/61/571860661.db2.gz JOFSATRGXISPEI-UHFFFAOYSA-N 0 0 187.173 2.545 10 0 AFAERN Cc1cc(O)c2c(C)coc2c1 196113072 571860762 /nfs/dbraw/zinc/86/07/62/571860762.db2.gz AZBSWJRPXCNZDQ-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN C[C@H]1[C@@H](O)c2ccccc2C1(C)C 38859352 571860785 /nfs/dbraw/zinc/86/07/85/571860785.db2.gz HMIYBTYCNDAZJO-GZMMTYOYSA-N 0 0 176.259 2.647 10 0 AFAERN O[C@@H](CCCC(F)F)CCC1CC1 687865764 571860948 /nfs/dbraw/zinc/86/09/48/571860948.db2.gz WRPNARRZBMKRHL-VIFPVBQESA-N 0 0 192.249 2.973 10 0 AFAERN c1ccc(N[C@@H]2CCCCO2)cc1 38881624 571860994 /nfs/dbraw/zinc/86/09/94/571860994.db2.gz FDOLMZBMSGLFHU-NSHDSACASA-N 0 0 177.247 2.625 10 0 AFAERN CCc1c(C)[nH]c2c(N)cccc12 138899510 571861173 /nfs/dbraw/zinc/86/11/73/571861173.db2.gz AKSRBVBAIYFYLR-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN COC1=C2CCCC[C@]2(C)CC[C@@H]1O 38866447 571861376 /nfs/dbraw/zinc/86/13/76/571861376.db2.gz YWPJXTRUGDPLCM-CMPLNLGQSA-N 0 0 196.290 2.622 10 0 AFAERN CCc1c(C)[nH]c2cc(N)ccc12 138899370 571861394 /nfs/dbraw/zinc/86/13/94/571861394.db2.gz BXEBVNVYHDWTBN-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN CC(C)(C)CCC[C@H](NN)C1(C)CC1 300728199 571861416 /nfs/dbraw/zinc/86/14/16/571861416.db2.gz GZCLUQDYZWUVDC-JTQLQIEISA-N 0 0 198.354 2.835 10 0 AFAERN CC1=CC[C@H]2C(=O)CC[C@@]2(C)C1 38865041 571861453 /nfs/dbraw/zinc/86/14/53/571861453.db2.gz BKULKIXTQDHURW-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN O=C1Cc2ccc(F)c3cccc1c23 6094278 571861728 /nfs/dbraw/zinc/86/17/28/571861728.db2.gz SDBKSQFTHDLBQS-UHFFFAOYSA-N 0 0 186.185 2.718 10 0 AFAERN OCC1CC(c2ccc(Cl)cc2)C1 138965768 571861818 /nfs/dbraw/zinc/86/18/18/571861818.db2.gz HTPXJNMZYJHGLD-UHFFFAOYSA-N 0 0 196.677 2.826 10 0 AFAERN CC(=O)O[C@@]1(C)C=C[C@H]2C[C@@H]1C2(C)C 196114389 571861934 /nfs/dbraw/zinc/86/19/34/571861934.db2.gz LOEQWAGKFSLDQD-UMNHJUIQSA-N 0 0 194.274 2.540 10 0 AFAERN c1ccc(Sc2c[nH]cn2)cc1 6188344 571863342 /nfs/dbraw/zinc/86/33/42/571863342.db2.gz GURZJXWRPWAUKA-UHFFFAOYSA-N 0 0 176.244 2.561 10 0 AFAERN FCc1c(F)cccc1Cl 144829261 571867987 /nfs/dbraw/zinc/86/79/87/571867987.db2.gz OENCHNTYINEICC-UHFFFAOYSA-N 0 0 162.566 2.949 10 0 AFAERN CCCC[C@H]1CC(=O)C1(C)C 38892347 571862103 /nfs/dbraw/zinc/86/21/03/571862103.db2.gz BLGUFOZGIPVOPZ-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H]1CCCCCCCC1=O 38915997 571862152 /nfs/dbraw/zinc/86/21/52/571862152.db2.gz DOPVNVIYCBRHHW-VIFPVBQESA-N 0 0 154.253 2.936 10 0 AFAERN CC[C@@H]1CNc2cc(F)c(C)cc2N1 233935033 571862200 /nfs/dbraw/zinc/86/22/00/571862200.db2.gz GWGBAFMNXNFASD-MRVPVSSYSA-N 0 0 194.253 2.750 10 0 AFAERN OC[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 138956794 571862895 /nfs/dbraw/zinc/86/28/95/571862895.db2.gz NJYDWVMPEMDCDY-MWLCHTKSSA-N 0 0 194.249 2.702 10 0 AFAERN OCC1(CCC2CCCC2)CC1 300728407 571862314 /nfs/dbraw/zinc/86/23/14/571862314.db2.gz DWGRORZLSHACQL-UHFFFAOYSA-N 0 0 168.280 2.729 10 0 AFAERN OC[C@@H]1CCC/C1=C\c1ccccc1 38973749 571865292 /nfs/dbraw/zinc/86/52/92/571865292.db2.gz LDQPDGZIOYHYLR-SRXBQZRASA-N 0 0 188.270 2.862 10 0 AFAERN CC(C)(C)CCC[C@@H](NN)C1(C)CC1 300728200 571862563 /nfs/dbraw/zinc/86/25/63/571862563.db2.gz GZCLUQDYZWUVDC-SNVBAGLBSA-N 0 0 198.354 2.835 10 0 AFAERN CC1(C)Cc2cccc(N)c2S1 138995951 571862618 /nfs/dbraw/zinc/86/26/18/571862618.db2.gz JEHWPPMJLXGESM-UHFFFAOYSA-N 0 0 179.288 2.696 10 0 AFAERN CSc1cccc([C@H]2C[C@H]2CO)c1 138961891 571862659 /nfs/dbraw/zinc/86/26/59/571862659.db2.gz OHBHMRMQBVGSIX-GXSJLCMTSA-N 0 0 194.299 2.504 10 0 AFAERN CCSc1oc(C)cc1C=O 6223893 571862807 /nfs/dbraw/zinc/86/28/07/571862807.db2.gz ZKCJDYRXHYKOEC-UHFFFAOYSA-N 0 0 170.233 2.513 10 0 AFAERN Cc1[nH]c(=S)n(C(C)C)c1C 38916193 571862825 /nfs/dbraw/zinc/86/28/25/571862825.db2.gz PHICCJFWFHCXHZ-UHFFFAOYSA-N 0 0 170.281 2.743 10 0 AFAERN CCCC[C@@H]1CC(=O)C1(C)C 38892346 571862833 /nfs/dbraw/zinc/86/28/33/571862833.db2.gz BLGUFOZGIPVOPZ-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CC1(C)C(=O)C(C)(C)C1(C)C 38892351 571862856 /nfs/dbraw/zinc/86/28/56/571862856.db2.gz AABZZQLKMMNZTD-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN CCNc1ccsc1CC 38949014 571862865 /nfs/dbraw/zinc/86/28/65/571862865.db2.gz FZDVAWTYRANYDF-UHFFFAOYSA-N 0 0 155.266 2.742 10 0 AFAERN CC(=O)Oc1ccc2occ(C)c2c1 6319344 571862868 /nfs/dbraw/zinc/86/28/68/571862868.db2.gz XRPUCPQOHMWMBZ-UHFFFAOYSA-N 0 0 190.198 2.667 10 0 AFAERN Cc1nc(C)c(-c2ccccc2)o1 38891901 571862897 /nfs/dbraw/zinc/86/28/97/571862897.db2.gz LGRBPONYKYJGGL-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CC1=CC[C@@H](C(C)(C)C)C[C@@H]1O 138951392 571863005 /nfs/dbraw/zinc/86/30/05/571863005.db2.gz LWFWFVBSGRFTBP-ZJUUUORDSA-N 0 0 168.280 2.750 10 0 AFAERN CCCSc1ccc(NC)c(N)c1 139008944 571863040 /nfs/dbraw/zinc/86/30/40/571863040.db2.gz DGRHALWGUIYHKP-UHFFFAOYSA-N 0 0 196.319 2.813 10 0 AFAERN CC(C)=C1CC[C@@H](C)C[C@@H]1OCCO 38916822 571863060 /nfs/dbraw/zinc/86/30/60/571863060.db2.gz CRZBODXJIGEPTH-PWSUYJOCSA-N 0 0 198.306 2.520 10 0 AFAERN C/C=C/[C@@H]1C(=O)[C@H]2CCCC[C@H]21 38892352 571863250 /nfs/dbraw/zinc/86/32/50/571863250.db2.gz HJTLJJCPBAGYBX-NBNLDHBYSA-N 0 0 164.248 2.568 10 0 AFAERN OC[C@H]1CC[C@H](c2ccc(F)cc2)C1 138956701 571863297 /nfs/dbraw/zinc/86/32/97/571863297.db2.gz NJYDWVMPEMDCDY-ONGXEEELSA-N 0 0 194.249 2.702 10 0 AFAERN CC(C)OCCCC(=O)[C@H](C)C1CC1 689383019 571863315 /nfs/dbraw/zinc/86/33/15/571863315.db2.gz QDACFBYVERIQAY-SNVBAGLBSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)=C1CC[C@@H](C)C[C@H]1OCCO 38916821 571863330 /nfs/dbraw/zinc/86/33/30/571863330.db2.gz CRZBODXJIGEPTH-ZYHUDNBSSA-N 0 0 198.306 2.520 10 0 AFAERN Oc1ccc(C2=CCCCO2)cc1 38916274 571863379 /nfs/dbraw/zinc/86/33/79/571863379.db2.gz XGSXTFONYDBIMC-UHFFFAOYSA-N 0 0 176.215 2.544 10 0 AFAERN Cc1cc(-c2ccccc2)oc(=O)c1 38890823 571863405 /nfs/dbraw/zinc/86/34/05/571863405.db2.gz AFUWPRQLOLYFDT-UHFFFAOYSA-N 0 0 186.210 2.615 10 0 biogenic AFAERN OC[C@@H]1CC[C@H](c2ccc(F)cc2)C1 138956912 571863516 /nfs/dbraw/zinc/86/35/16/571863516.db2.gz NJYDWVMPEMDCDY-KOLCDFICSA-N 0 0 194.249 2.702 10 0 AFAERN OC[C@H]1CC[C@@H](c2ccc(F)cc2)C1 138956573 571863648 /nfs/dbraw/zinc/86/36/48/571863648.db2.gz NJYDWVMPEMDCDY-GXSJLCMTSA-N 0 0 194.249 2.702 10 0 AFAERN C=C(c1ccoc1)c1ccoc1 38916050 571863687 /nfs/dbraw/zinc/86/36/87/571863687.db2.gz DCCZJDHJBZQVGK-UHFFFAOYSA-N 0 0 160.172 2.934 10 0 AFAERN CCCC(=O)C[C@@H](C)CC 38888188 571863775 /nfs/dbraw/zinc/86/37/75/571863775.db2.gz DFFXAIUEWPSFQR-QMMMGPOBSA-N 0 0 142.242 2.792 10 0 AFAERN CC1=CC[C@H]2[C@@H](C)CCCC(=O)[C@H]12 38916334 571863789 /nfs/dbraw/zinc/86/37/89/571863789.db2.gz AJFZZTLMUCIHPK-PTOFAABTSA-N 0 0 178.275 2.958 10 0 AFAERN O=C(C1CCCC1)[C@H]1C=CCC1 139036542 571863803 /nfs/dbraw/zinc/86/38/03/571863803.db2.gz XNFQGAXRAFKCGP-VIFPVBQESA-N 0 0 164.248 2.712 10 0 AFAERN CCC(=O)CC(CC)CC 38892022 571863858 /nfs/dbraw/zinc/86/38/58/571863858.db2.gz DMRZSXNCIFGKME-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN Cc1ccc2c(c1)CCCCC2=O 38995977 571867418 /nfs/dbraw/zinc/86/74/18/571867418.db2.gz RWIJOFXNZSJNEA-UHFFFAOYSA-N 0 0 174.243 2.904 10 0 AFAERN CC(=O)CCCNc1ccccc1C 144761189 571863923 /nfs/dbraw/zinc/86/39/23/571863923.db2.gz KMKRTKQDWAHMEJ-UHFFFAOYSA-N 0 0 191.274 2.776 10 0 AFAERN CN1C(=S)Cc2c(Cl)cccc21 38916797 571864078 /nfs/dbraw/zinc/86/40/78/571864078.db2.gz KSHCAHVNPZLMCO-UHFFFAOYSA-N 0 0 197.690 2.660 10 0 AFAERN c1ccc2c(c1)oc1ccncc12 6277075 571864052 /nfs/dbraw/zinc/86/40/52/571864052.db2.gz USQJUMKNJWUXHW-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN Cc1ccnc(CCC(C)C)c1 38916098 571864194 /nfs/dbraw/zinc/86/41/94/571864194.db2.gz MMXHXLXTTSLCAH-UHFFFAOYSA-N 0 0 163.264 2.979 10 0 AFAERN CCCC(=O)C[C@H](C)CC 38888189 571864201 /nfs/dbraw/zinc/86/42/01/571864201.db2.gz DFFXAIUEWPSFQR-MRVPVSSYSA-N 0 0 142.242 2.792 10 0 AFAERN CC(C)c1nc2c(s1)CCCN2 38916413 571864276 /nfs/dbraw/zinc/86/42/76/571864276.db2.gz YDSIXLLUHQGZHT-UHFFFAOYSA-N 0 0 182.292 2.625 10 0 AFAERN CCOC(=O)/C=C/C=C(\C)CC1CC1 300732048 571864285 /nfs/dbraw/zinc/86/42/85/571864285.db2.gz FYBHGKLKHIBJEY-GQYICFGZSA-N 0 0 194.274 2.852 10 0 AFAERN C[C@@H]1C[C@@H]1c1cccc(F)c1 138967656 571864546 /nfs/dbraw/zinc/86/45/46/571864546.db2.gz KIIUSXCNDPVVKO-XCBNKYQSSA-N 0 0 150.196 2.949 10 0 AFAERN CSc1cccc([C@@H]2C[C@H]2CO)c1 138961784 571864504 /nfs/dbraw/zinc/86/45/04/571864504.db2.gz OHBHMRMQBVGSIX-ONGXEEELSA-N 0 0 194.299 2.504 10 0 AFAERN OC[C@H]1CCC/C1=C\c1ccccc1 38973748 571864670 /nfs/dbraw/zinc/86/46/70/571864670.db2.gz LDQPDGZIOYHYLR-CNELAYHGSA-N 0 0 188.270 2.862 10 0 AFAERN CCOc1ccc2oc(C=O)cc2c1 39018030 571869950 /nfs/dbraw/zinc/86/99/50/571869950.db2.gz SAJABRLNCLMVRF-UHFFFAOYSA-N 0 0 190.198 2.644 10 0 AFAERN O[C@@H](C=C1CCC1)c1ccc(F)cc1 38950649 571864688 /nfs/dbraw/zinc/86/46/88/571864688.db2.gz JZCNVIOMVZLLRJ-LBPRGKRZSA-N 0 0 192.233 2.969 10 0 AFAERN ClC1=Cc2ccccc21 138983457 571864761 /nfs/dbraw/zinc/86/47/61/571864761.db2.gz YRRGWBQRMGZRJE-UHFFFAOYSA-N 0 0 136.581 2.737 10 0 AFAERN CC[C@@H](C)CCC(C)(C)O 138984683 571864789 /nfs/dbraw/zinc/86/47/89/571864789.db2.gz LVIFBEPHIBJBEU-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN CCNc1cssc1=S 38949835 571864866 /nfs/dbraw/zinc/86/48/66/571864866.db2.gz ALJPHNVOSJMKPT-UHFFFAOYSA-N 0 0 177.319 2.971 10 0 AFAERN c1cc(NC2CCCCC2)ns1 138962174 571864888 /nfs/dbraw/zinc/86/48/88/571864888.db2.gz HTSQRVCFLFKDMG-UHFFFAOYSA-N 0 0 182.292 2.888 10 0 AFAERN CSc1ccc(NC(C)=O)c(F)c1 138993792 571864912 /nfs/dbraw/zinc/86/49/12/571864912.db2.gz WRHQIFPHQODBRG-UHFFFAOYSA-N 0 0 199.250 2.506 10 0 AFAERN O[C@H](C=C1CCC1)c1ccc(F)cc1 38950647 571864917 /nfs/dbraw/zinc/86/49/17/571864917.db2.gz JZCNVIOMVZLLRJ-GFCCVEGCSA-N 0 0 192.233 2.969 10 0 AFAERN O=C(C1CCCC1)[C@@H]1C=CCC1 139036643 571864958 /nfs/dbraw/zinc/86/49/58/571864958.db2.gz XNFQGAXRAFKCGP-SECBINFHSA-N 0 0 164.248 2.712 10 0 AFAERN COc1ccn2cc(C3CC3)cc2c1 38950328 571864959 /nfs/dbraw/zinc/86/49/59/571864959.db2.gz OGGUYHOFSNIKHM-UHFFFAOYSA-N 0 0 187.242 2.825 10 0 AFAERN c1cc2cc3c(cc2s1)CCN3 38949763 571864966 /nfs/dbraw/zinc/86/49/66/571864966.db2.gz FBIKHBGTGCBJLL-UHFFFAOYSA-N 0 0 175.256 2.869 10 0 AFAERN CC(C)=Cc1ccccc1CO 38973117 571864989 /nfs/dbraw/zinc/86/49/89/571864989.db2.gz NWXIDNDUFILVNV-UHFFFAOYSA-N 0 0 162.232 2.602 10 0 AFAERN Oc1ccc2snc(Cl)c2c1 38950234 571865084 /nfs/dbraw/zinc/86/50/84/571865084.db2.gz LABLWXMWGRTMMS-UHFFFAOYSA-N 0 0 185.635 2.655 10 0 AFAERN CSc1cccc([C@@H]2C[C@@H]2CO)c1 138961562 571865125 /nfs/dbraw/zinc/86/51/25/571865125.db2.gz OHBHMRMQBVGSIX-KOLCDFICSA-N 0 0 194.299 2.504 10 0 AFAERN CC[C@H](C)CCC(C)(C)O 138984806 571865205 /nfs/dbraw/zinc/86/52/05/571865205.db2.gz LVIFBEPHIBJBEU-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN CSCCCc1sccc1N 38950360 571865396 /nfs/dbraw/zinc/86/53/96/571865396.db2.gz AHCALVJSBDKRBT-UHFFFAOYSA-N 0 0 187.333 2.626 10 0 AFAERN CC(C)[C@@H](O)n1ccc2ccccc21 138994760 571865536 /nfs/dbraw/zinc/86/55/36/571865536.db2.gz ZWJCOAQNLLOFTP-GFCCVEGCSA-N 0 0 189.258 2.788 10 0 AFAERN C[C@@H]1CC=CC(C)(C)CC1=O 206659113 571865542 /nfs/dbraw/zinc/86/55/42/571865542.db2.gz SUYHURBXNJBHSV-MRVPVSSYSA-N 0 0 152.237 2.568 10 0 AFAERN CCc1cc2c(s1)SCCN2 38973658 571865601 /nfs/dbraw/zinc/86/56/01/571865601.db2.gz CFEDGOLBQHICMS-UHFFFAOYSA-N 0 0 185.317 2.828 10 0 AFAERN Oc1c(Cl)cccc1-n1cccc1 38973918 571865620 /nfs/dbraw/zinc/86/56/20/571865620.db2.gz WPJGIMSUOZGZSQ-UHFFFAOYSA-N 0 0 193.633 2.836 10 0 AFAERN CCNc1cnc(C)c2ccccc12 38973697 571865652 /nfs/dbraw/zinc/86/56/52/571865652.db2.gz LXHQHPWILLZQTE-UHFFFAOYSA-N 0 0 186.258 2.975 10 0 AFAERN OC/C=C/C=C/c1ccc(F)cc1F 38973998 571866022 /nfs/dbraw/zinc/86/60/22/571866022.db2.gz RTQNDQSPWJIWOL-ZPUQHVIOSA-N 0 0 196.196 2.527 10 0 AFAERN O[C@H]1CCCC[C@@H]1C(Cl)=C(F)F 38974036 571866198 /nfs/dbraw/zinc/86/61/98/571866198.db2.gz CCJSXCAGWBRHLY-WDSKDSINSA-N 0 0 196.624 2.884 10 0 AFAERN Cn1cccc1-c1cccs1 205406753 571867645 /nfs/dbraw/zinc/86/76/45/571867645.db2.gz KBGNBSMIAXIERJ-UHFFFAOYSA-N 0 0 163.245 2.754 10 0 AFAERN CC1(C)OC(=O)Nc2cc(F)ccc21 139073481 571866609 /nfs/dbraw/zinc/86/66/09/571866609.db2.gz OHWLXXHTZWZHPO-UHFFFAOYSA-N 0 0 195.193 2.623 10 0 AFAERN CC[C@]1(C)CCc2ccc(N)cc2N1 38950550 571866795 /nfs/dbraw/zinc/86/67/95/571866795.db2.gz DULNNICELSWROI-GFCCVEGCSA-N 0 0 190.290 2.796 10 0 AFAERN C[C@H]1Nc2cccc3c2[C@H]1CCC3=O 196134052 571866808 /nfs/dbraw/zinc/86/68/08/571866808.db2.gz ZUWGWMWGLWKIAK-SFYZADRCSA-N 0 0 187.242 2.561 10 0 AFAERN CC1(CC(=O)C[C@H]2CCCOC2)CC1 689383877 571866820 /nfs/dbraw/zinc/86/68/20/571866820.db2.gz RZZBUMULPHXRQH-SNVBAGLBSA-N 0 0 196.290 2.562 10 0 AFAERN CC[C@]1(C)OC(=O)C2=C1CCCC2 29462862 571866947 /nfs/dbraw/zinc/86/69/47/571866947.db2.gz HPFIEQPMNVZWTJ-NSHDSACASA-N 0 0 180.247 2.583 10 0 AFAERN CCc1ccc(CCCCCO)cc1 36156766 571872123 /nfs/dbraw/zinc/87/21/23/571872123.db2.gz JYKJZMZOWUTUOT-UHFFFAOYSA-N 0 0 192.302 2.954 10 0 AFAERN C/C=C(/C)[C@@H](O)c1ccccc1 39017405 571867395 /nfs/dbraw/zinc/86/73/95/571867395.db2.gz ZMDNCBARPVPSFM-IMAIQDNJSA-N 0 0 162.232 2.686 10 0 AFAERN CC1(CC(=O)C[C@@H]2CCCOC2)CC1 689383874 571867449 /nfs/dbraw/zinc/86/74/49/571867449.db2.gz RZZBUMULPHXRQH-JTQLQIEISA-N 0 0 196.290 2.562 10 0 AFAERN COCC[C@](C)(O)C1=CCCCCC1 234667269 571867588 /nfs/dbraw/zinc/86/75/88/571867588.db2.gz LDRURQVXHOOGOS-LBPRGKRZSA-N 0 0 198.306 2.664 10 0 AFAERN COCC[C@@](C)(O)C1=CCCCCC1 234668427 571867597 /nfs/dbraw/zinc/86/75/97/571867597.db2.gz LDRURQVXHOOGOS-GFCCVEGCSA-N 0 0 198.306 2.664 10 0 AFAERN CC(C)C[C@@H](C)CC1(CO)CC1 300738951 571867735 /nfs/dbraw/zinc/86/77/35/571867735.db2.gz AOIPOIUQCYMGJM-SNVBAGLBSA-N 0 0 170.296 2.831 10 0 AFAERN COC(=O)c1cc(CC(C)C)cs1 144851874 571867832 /nfs/dbraw/zinc/86/78/32/571867832.db2.gz OZQNHQQYQSBJLJ-UHFFFAOYSA-N 0 0 198.287 2.733 10 0 AFAERN CCC[C@@H](O)C(=O)CCC1CCCC1 300736441 571868028 /nfs/dbraw/zinc/86/80/28/571868028.db2.gz HHZKUBKWBFUQFV-LLVKDONJSA-N 0 0 198.306 2.687 10 0 AFAERN CCCCCC=C1CC(O)C1 139026531 571868125 /nfs/dbraw/zinc/86/81/25/571868125.db2.gz FHVVDQZKINLXIY-UHFFFAOYSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)C[C@H](C)CC1(CO)CC1 300738950 571868198 /nfs/dbraw/zinc/86/81/98/571868198.db2.gz AOIPOIUQCYMGJM-JTQLQIEISA-N 0 0 170.296 2.831 10 0 AFAERN Cc1cc(C)c2c(N)c(F)sc2n1 38996626 571868230 /nfs/dbraw/zinc/86/82/30/571868230.db2.gz WPXCFQDYAYIXDF-UHFFFAOYSA-N 0 0 196.250 2.634 10 0 AFAERN CC(C)C[C@H](C)C[C@H](NN)[C@H]1C[C@H]1C 300739028 571868411 /nfs/dbraw/zinc/86/84/11/571868411.db2.gz APIKJTMKIDNXHU-USZNOCQGSA-N 0 0 198.354 2.547 10 0 AFAERN C[C@H]1Nc2cccc3c2[C@@H]1CCC3=O 196134068 571868437 /nfs/dbraw/zinc/86/84/37/571868437.db2.gz ZUWGWMWGLWKIAK-HTQZYQBOSA-N 0 0 187.242 2.561 10 0 AFAERN COc1cc(O)c(Cl)c(C)c1C 38996284 571868438 /nfs/dbraw/zinc/86/84/38/571868438.db2.gz UVIDUSPQVHRDLU-UHFFFAOYSA-N 0 0 186.638 2.671 10 0 AFAERN CC(C)C[C@@H](C)Cn1ccc(CO)c1 300738487 571868441 /nfs/dbraw/zinc/86/84/41/571868441.db2.gz AMWNZHHKQGVGAG-LLVKDONJSA-N 0 0 195.306 2.663 10 0 AFAERN Cc1c[nH]nc1-c1cccc(F)c1 6413314 571868465 /nfs/dbraw/zinc/86/84/65/571868465.db2.gz NEUULOHZWUVYTL-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN CN[C@H](CCC1CCCC1)C(F)F 300735924 571868569 /nfs/dbraw/zinc/86/85/69/571868569.db2.gz HELUEZMFGRUHBU-SECBINFHSA-N 0 0 191.265 2.810 10 0 AFAERN CC[C@]1(C)CC(=O)C[C@@H](C)C1 39017287 571868675 /nfs/dbraw/zinc/86/86/75/571868675.db2.gz WGEVVRZYLBWSRB-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)C[C@H](C)C[C@H](NN)[C@H]1C[C@@H]1C 300739024 571868812 /nfs/dbraw/zinc/86/88/12/571868812.db2.gz APIKJTMKIDNXHU-BJDJZHNGSA-N 0 0 198.354 2.547 10 0 AFAERN CC[C@@]1(C)OC(=O)C2=C1CCCC2 29462859 571868827 /nfs/dbraw/zinc/86/88/27/571868827.db2.gz HPFIEQPMNVZWTJ-LLVKDONJSA-N 0 0 180.247 2.583 10 0 AFAERN C[C@@H]1CC[C@H]2C(=O)CCC[C@@H]2C1 38995805 571868910 /nfs/dbraw/zinc/86/89/10/571868910.db2.gz JKNWRXVMVHOPQA-OPRDCNLKSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CC[C@H]2[C@@H]1C(=O)CC2(C)C 196126164 571872163 /nfs/dbraw/zinc/87/21/63/571872163.db2.gz DPIJOIKBXRGPTR-OYNCUSHFSA-N 0 0 166.264 2.648 10 0 AFAERN c1cnc2ccc3c[nH]cc3c2c1 38995847 571869005 /nfs/dbraw/zinc/86/90/05/571869005.db2.gz HSKPBIQYUOYRRK-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN CCC(CC)C(=O)[C@H](C)CSC 300741885 571869040 /nfs/dbraw/zinc/86/90/40/571869040.db2.gz AXSTUNHPPBMJBZ-MRVPVSSYSA-N 0 0 188.336 2.991 10 0 AFAERN CCOC(=O)/C=C/C=C(\C)C1(C)CC1 300733435 571869053 /nfs/dbraw/zinc/86/90/53/571869053.db2.gz GLBXYIYVYMYLQY-YLNKAEQOSA-N 0 0 194.274 2.852 10 0 AFAERN C[C@@H]1Nc2cccc3c2[C@@H]1CCC3=O 196134073 571869087 /nfs/dbraw/zinc/86/90/87/571869087.db2.gz ZUWGWMWGLWKIAK-JGVFFNPUSA-N 0 0 187.242 2.561 10 0 AFAERN C[C@@H]1Nc2cccc3c2[C@H]1CCC3=O 196134061 571869095 /nfs/dbraw/zinc/86/90/95/571869095.db2.gz ZUWGWMWGLWKIAK-YUMQZZPRSA-N 0 0 187.242 2.561 10 0 AFAERN CCC[C@H](O)C(=O)CCC1CCCC1 300736444 571869135 /nfs/dbraw/zinc/86/91/35/571869135.db2.gz HHZKUBKWBFUQFV-NSHDSACASA-N 0 0 198.306 2.687 10 0 AFAERN CC(C)C[C@H](C)C[C@H](NN)[C@@H]1C[C@@H]1C 300739030 571869150 /nfs/dbraw/zinc/86/91/50/571869150.db2.gz APIKJTMKIDNXHU-YFKTTZPYSA-N 0 0 198.354 2.547 10 0 AFAERN C/C=C(/C)[C@H](O)c1ccccc1 39017404 571869274 /nfs/dbraw/zinc/86/92/74/571869274.db2.gz ZMDNCBARPVPSFM-QSADENFPSA-N 0 0 162.232 2.686 10 0 AFAERN CC(C)C[C@H](C)Cn1ccc(CO)c1 300738488 571869368 /nfs/dbraw/zinc/86/93/68/571869368.db2.gz AMWNZHHKQGVGAG-NSHDSACASA-N 0 0 195.306 2.663 10 0 AFAERN COC(=O)C1(CC2CC2)CCCC1 144866663 571869408 /nfs/dbraw/zinc/86/94/08/571869408.db2.gz LGDAQJVVCQHQKG-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC(C)C[C@H](C)C[C@H](NN)[C@@H]1C[C@H]1C 300739026 571869418 /nfs/dbraw/zinc/86/94/18/571869418.db2.gz APIKJTMKIDNXHU-QCNOEVLYSA-N 0 0 198.354 2.547 10 0 AFAERN CN[C@@H](CCC1CCCC1)C(F)F 300735926 571869438 /nfs/dbraw/zinc/86/94/38/571869438.db2.gz HELUEZMFGRUHBU-VIFPVBQESA-N 0 0 191.265 2.810 10 0 AFAERN COC(C)(C)C(=O)CCC1CCCC1 300735916 571869468 /nfs/dbraw/zinc/86/94/68/571869468.db2.gz HEDPHYVMCHTSAS-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CCC[C@@H]1C(=O)C[C@H]1CCC 196120496 571869720 /nfs/dbraw/zinc/86/97/20/571869720.db2.gz IEIQFCUVZMBVRL-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1CC(=O)C[C@H]1C(C)(C)C 39038249 571869812 /nfs/dbraw/zinc/86/98/12/571869812.db2.gz FGFMSCLQPBQOHZ-VXNVDRBHSA-N 0 0 154.253 2.648 10 0 AFAERN O[C@@H]1CCC=C1Sc1ccccc1 139090430 571869922 /nfs/dbraw/zinc/86/99/22/571869922.db2.gz CGUAZFPVCLUVCC-SNVBAGLBSA-N 0 0 192.283 2.817 10 0 AFAERN CC/C=C1\C[C@]1(CO)c1ccccc1 214580362 571870004 /nfs/dbraw/zinc/87/00/04/571870004.db2.gz RCMSMJQSLRYXTI-UWUHSAQLSA-N 0 0 188.270 2.657 10 0 AFAERN C[C@@]12CCC=C[C@@H]1CCCC2=O 39038387 571870011 /nfs/dbraw/zinc/87/00/11/571870011.db2.gz JGVDEQTXJHEGJI-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CCC[C@@H]1CC(=O)[C@@H]1CCC 196120479 571870013 /nfs/dbraw/zinc/87/00/13/571870013.db2.gz IEIQFCUVZMBVRL-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC(=O)[C@H]1CCO[C@H](C(C)C)C1 211709030 571870045 /nfs/dbraw/zinc/87/00/45/571870045.db2.gz DNNKDGHLWAYNBV-JQWIXIFHSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1nc(C(F)(F)F)sc1C 144915883 571870051 /nfs/dbraw/zinc/87/00/51/571870051.db2.gz HINNIASFXSKPMP-UHFFFAOYSA-N 0 0 181.182 2.779 10 0 AFAERN C(=C/n1ccnc1)\c1ccccc1 6514341 571870066 /nfs/dbraw/zinc/87/00/66/571870066.db2.gz NSAWYJIGEZYSEY-SOFGYWHQSA-N 0 0 170.215 2.511 10 0 AFAERN CCCc1c[nH]c(C)c1CC 39038193 571870146 /nfs/dbraw/zinc/87/01/46/571870146.db2.gz HTKFBGDNLVODAR-UHFFFAOYSA-N 0 0 151.253 2.838 10 0 AFAERN CC(=O)[C@H](C)C1=CCCCC1 196123627 571870161 /nfs/dbraw/zinc/87/01/61/571870161.db2.gz UJEBVXUCHXWHJG-QMMMGPOBSA-N 0 0 152.237 2.712 10 0 AFAERN OC[C@H]1CCC/C1=C\c1cccs1 39018187 571870225 /nfs/dbraw/zinc/87/02/25/571870225.db2.gz HWXZYKBLCNUJTC-TTZKWOQHSA-N 0 0 194.299 2.924 10 0 AFAERN O=C1C[C@]23CCCCC2=C[C@H]1CC3 39017654 571870228 /nfs/dbraw/zinc/87/02/28/571870228.db2.gz KUGZIURLGIVNEA-BXKDBHETSA-N 0 0 176.259 2.856 10 0 AFAERN Cc1ccccc1-c1cc[nH]c1 196135171 571872194 /nfs/dbraw/zinc/87/21/94/571872194.db2.gz VRFRGOPYEOBNSV-UHFFFAOYSA-N 0 0 157.216 2.990 10 0 AFAERN CCCC(=O)[C@@H]1CCO[C@H](C(C)C)C1 211708954 571870263 /nfs/dbraw/zinc/87/02/63/571870263.db2.gz DNNKDGHLWAYNBV-PWSUYJOCSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)(C)[C@H]1CC=CCCC1=O 196136205 571870274 /nfs/dbraw/zinc/87/02/74/571870274.db2.gz DNYDCSHKTWWUKS-VIFPVBQESA-N 0 0 166.264 2.958 10 0 AFAERN O[C@@H](C(Cl)=C(F)F)c1ccco1 39039228 571870279 /nfs/dbraw/zinc/87/02/79/571870279.db2.gz KCVYCVGZTQJTRK-ZCFIWIBFSA-N 0 0 194.564 2.660 10 0 AFAERN O[C@H]1CCC=C1Sc1ccccc1 139090333 571870282 /nfs/dbraw/zinc/87/02/82/571870282.db2.gz CGUAZFPVCLUVCC-JTQLQIEISA-N 0 0 192.283 2.817 10 0 AFAERN CC(=O)[C@@H](C)C1=CCCCC1 196123619 571871328 /nfs/dbraw/zinc/87/13/28/571871328.db2.gz UJEBVXUCHXWHJG-MRVPVSSYSA-N 0 0 152.237 2.712 10 0 AFAERN CCC[C@H]1CC(=O)[C@@H]1CCC 196120488 571870508 /nfs/dbraw/zinc/87/05/08/571870508.db2.gz IEIQFCUVZMBVRL-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CNc1cnc(C)c2ccccc12 39017593 571870579 /nfs/dbraw/zinc/87/05/79/571870579.db2.gz RXRRTPQKEFZHCB-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN Cc1cccc2c(O)c(C=O)ccc12 196139302 571870622 /nfs/dbraw/zinc/87/06/22/571870622.db2.gz AOVPCSSAFKMMSJ-UHFFFAOYSA-N 0 0 186.210 2.666 10 0 AFAERN Clc1cncc(OCC2CC2)c1 39038845 571870671 /nfs/dbraw/zinc/87/06/71/571870671.db2.gz MLDJUNXUERMGJB-UHFFFAOYSA-N 0 0 183.638 2.524 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](O)CCC1CCCC1 300739562 571870673 /nfs/dbraw/zinc/87/06/73/571870673.db2.gz IBFONILIPXNRDT-USWWRNFRSA-N 0 0 182.307 2.974 10 0 AFAERN OCCCC1=Cc2ccccc2CC1 196138265 571870695 /nfs/dbraw/zinc/87/06/95/571870695.db2.gz MJQMDCBZOKJCLF-UHFFFAOYSA-N 0 0 188.270 2.789 10 0 AFAERN COCC[C@@H](O)C1=CCCCCCC1 234663783 571870744 /nfs/dbraw/zinc/87/07/44/571870744.db2.gz OPMPHZPYFJYGON-GFCCVEGCSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)CCC1CCCC1 300739564 571870754 /nfs/dbraw/zinc/87/07/54/571870754.db2.gz IBFONILIPXNRDT-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)(C)[C@@H]1CC=CCCC1=O 196136196 571870769 /nfs/dbraw/zinc/87/07/69/571870769.db2.gz DNYDCSHKTWWUKS-SECBINFHSA-N 0 0 166.264 2.958 10 0 AFAERN CCC[C@H]1CC(=O)[C@H]1CCC 196120503 571870849 /nfs/dbraw/zinc/87/08/49/571870849.db2.gz IEIQFCUVZMBVRL-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1c(C(C)(C)O)[nH]c2ccccc12 39039046 571870853 /nfs/dbraw/zinc/87/08/53/571870853.db2.gz XWEWPQFZOSUXHX-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN O=C1CCCCC[C@H]2C=CC[C@H]12 196140160 571870861 /nfs/dbraw/zinc/87/08/61/571870861.db2.gz HMMWSHMJBLZDQV-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN O=C1CCCCC[C@@H]2C=CC[C@H]12 196140154 571870887 /nfs/dbraw/zinc/87/08/87/571870887.db2.gz HMMWSHMJBLZDQV-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@H](C)/C=C\c1ccccc1 39017619 571870927 /nfs/dbraw/zinc/87/09/27/571870927.db2.gz HLTHIPNMEIQQQQ-HSTULFTRSA-N 0 0 174.243 2.925 10 0 AFAERN OC[C@@H]1CCC/C1=C\c1cccs1 39018188 571870934 /nfs/dbraw/zinc/87/09/34/571870934.db2.gz HWXZYKBLCNUJTC-PCYYEKQGSA-N 0 0 194.299 2.924 10 0 AFAERN O=C1CCCCC[C@H]2C=CC[C@@H]12 196140175 571870949 /nfs/dbraw/zinc/87/09/49/571870949.db2.gz HMMWSHMJBLZDQV-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN CCc1cc2cc(OC)ccn2c1 39038620 571871019 /nfs/dbraw/zinc/87/10/19/571871019.db2.gz ZFHQCKIEOHHLCA-UHFFFAOYSA-N 0 0 175.231 2.510 10 0 AFAERN CC1(C)CCc2cc(F)cc(O)c2O1 39018232 571871059 /nfs/dbraw/zinc/87/10/59/571871059.db2.gz CWSDHVWDNZZBFE-UHFFFAOYSA-N 0 0 196.221 2.635 10 0 AFAERN O=C1CCCC[C@H]1[C@H]1C=CCC1 196140184 571871091 /nfs/dbraw/zinc/87/10/91/571871091.db2.gz PHOADYBSYARIQH-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN COc1coc(-c2[nH]ccc2Cl)c1 39039326 571871140 /nfs/dbraw/zinc/87/11/40/571871140.db2.gz WZHJREBVOOMDDA-UHFFFAOYSA-N 0 0 197.621 2.937 10 0 AFAERN O[C@H](C(Cl)=C(F)F)c1ccco1 39039227 571871197 /nfs/dbraw/zinc/87/11/97/571871197.db2.gz KCVYCVGZTQJTRK-LURJTMIESA-N 0 0 194.564 2.660 10 0 AFAERN CCCC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 211709100 571871208 /nfs/dbraw/zinc/87/12/08/571871208.db2.gz DNNKDGHLWAYNBV-ZYHUDNBSSA-N 0 0 198.306 2.807 10 0 AFAERN O=C1CCCC[C@@H]1[C@H]1C=CCC1 196140188 571871701 /nfs/dbraw/zinc/87/17/01/571871701.db2.gz PHOADYBSYARIQH-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1CC[C@@H]2[C@@H]1C(=O)CC2(C)C 196126144 571871361 /nfs/dbraw/zinc/87/13/61/571871361.db2.gz DPIJOIKBXRGPTR-NQMVMOMDSA-N 0 0 166.264 2.648 10 0 AFAERN O=Cc1c2cccccc-2nc1Cl 196120864 571871611 /nfs/dbraw/zinc/87/16/11/571871611.db2.gz FYIGCSDCDCVGIZ-UHFFFAOYSA-N 0 0 191.617 2.652 10 0 AFAERN CCc1cc2cc(N)ccc2n1CC 39018000 571871748 /nfs/dbraw/zinc/87/17/48/571871748.db2.gz WSSIELZBJFNCEA-UHFFFAOYSA-N 0 0 188.274 2.806 10 0 AFAERN Cc1cc2c(o1)C(C)(C)CCC2=O 39038693 571871818 /nfs/dbraw/zinc/87/18/18/571871818.db2.gz RPZIBBNZAKSCFV-UHFFFAOYSA-N 0 0 178.231 2.842 10 0 AFAERN CNc1c(C)ccn2c(C)ccc12 196121312 571871921 /nfs/dbraw/zinc/87/19/21/571871921.db2.gz RGQXZHAIVZZMRU-UHFFFAOYSA-N 0 0 174.247 2.598 10 0 AFAERN CCCc1cc(O)ccc1C 196124148 571872002 /nfs/dbraw/zinc/87/20/02/571872002.db2.gz XWAQSOUOCXYWQJ-UHFFFAOYSA-N 0 0 150.221 2.653 10 0 AFAERN CCCc1ccc(CCCCO)cc1 36156799 571872071 /nfs/dbraw/zinc/87/20/71/571872071.db2.gz STSVECUUYQSJSP-UHFFFAOYSA-N 0 0 192.302 2.954 10 0 AFAERN Cc1coc2cc3c(cc12)CCN3 39017604 571872081 /nfs/dbraw/zinc/87/20/81/571872081.db2.gz QUWKXXXBBSCTIF-UHFFFAOYSA-N 0 0 173.215 2.709 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](O)CCC1CCCC1 300739560 571872209 /nfs/dbraw/zinc/87/22/09/571872209.db2.gz IBFONILIPXNRDT-JLLWLGSASA-N 0 0 182.307 2.974 10 0 AFAERN O=C1CCCCC[C@@H]2C=CC[C@@H]12 196140168 571872347 /nfs/dbraw/zinc/87/23/47/571872347.db2.gz HMMWSHMJBLZDQV-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN Oc1cncc(NC2CCCCC2)c1 139090190 571872359 /nfs/dbraw/zinc/87/23/59/571872359.db2.gz DBMMTFRKLQQPRQ-UHFFFAOYSA-N 0 0 192.262 2.532 10 0 AFAERN CC[C@@H](F)C(=O)c1ccccc1 39054825 571872456 /nfs/dbraw/zinc/87/24/56/571872456.db2.gz MBNBAODMHRPUKN-SECBINFHSA-N 0 0 166.195 2.617 10 0 AFAERN Cc1ccc(C(=O)C2(F)CC2)cc1 39054913 571872485 /nfs/dbraw/zinc/87/24/85/571872485.db2.gz LJJUJVAGGCUCHV-UHFFFAOYSA-N 0 0 178.206 2.680 10 0 AFAERN COCCCC(=O)C1(C)CCCCC1 234663918 571872596 /nfs/dbraw/zinc/87/25/96/571872596.db2.gz YKPCPHQTQLJEPD-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CC(C)CCC(=O)[C@H]1CCOC[C@@H]1C 301048823 571872599 /nfs/dbraw/zinc/87/25/99/571872599.db2.gz ZHJKPWHVLBWQKY-QWRGUYRKSA-N 0 0 198.306 2.664 10 0 AFAERN CCc1cc(C=O)cc(Cl)c1OC 111927181 571873865 /nfs/dbraw/zinc/87/38/65/571873865.db2.gz WTVVWSZIQNDRDN-UHFFFAOYSA-N 0 0 198.649 2.724 10 0 AFAERN CSC[C@@H](C)C(=O)[C@@H](C)C1CC1 300749238 571872814 /nfs/dbraw/zinc/87/28/14/571872814.db2.gz FPGKJKNLAMXOQJ-SFYZADRCSA-N 0 0 186.320 2.601 10 0 AFAERN CC[C@@H](OC)C(=O)CCC1CCCC1 300749385 571872853 /nfs/dbraw/zinc/87/28/53/571872853.db2.gz KMBGTDLJDABPDC-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)[C@H]1CCC[C@@H](C)C1=O 196132336 571872886 /nfs/dbraw/zinc/87/28/86/571872886.db2.gz DOUYYSQZVFGGLN-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN CSC[C@@H](O)CCCC(C)(C)C 300741371 571872967 /nfs/dbraw/zinc/87/29/67/571872967.db2.gz ARCVNZAEAXMASV-VIFPVBQESA-N 0 0 190.352 2.927 10 0 AFAERN CCCC[C@@](C)(O)c1nccs1 111871182 571872978 /nfs/dbraw/zinc/87/29/78/571872978.db2.gz HOJGCYJMSGRTDE-SECBINFHSA-N 0 0 185.292 2.541 10 0 AFAERN CC[C@H](F)C(=O)c1ccccc1 39054824 571873006 /nfs/dbraw/zinc/87/30/06/571873006.db2.gz MBNBAODMHRPUKN-VIFPVBQESA-N 0 0 166.195 2.617 10 0 AFAERN Cc1ccc(C2(O)CCCCC2)o1 111870985 571873008 /nfs/dbraw/zinc/87/30/08/571873008.db2.gz GWKIYJQUWUGMHL-UHFFFAOYSA-N 0 0 180.247 2.740 10 0 AFAERN CC(C)CCC(=O)[C@H]1CCOC[C@H]1C 301048822 571873011 /nfs/dbraw/zinc/87/30/11/571873011.db2.gz ZHJKPWHVLBWQKY-MNOVXSKESA-N 0 0 198.306 2.664 10 0 AFAERN CCCC(=O)[C@H]1CCO[C@@H](C(C)C)C1 211709182 571873048 /nfs/dbraw/zinc/87/30/48/571873048.db2.gz DNNKDGHLWAYNBV-CMPLNLGQSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(C)(CC)NC(=O)C=C(C)C 300742644 571873240 /nfs/dbraw/zinc/87/32/40/571873240.db2.gz CVFXJPPVUVPXAS-UHFFFAOYSA-N 0 0 183.295 2.648 10 0 AFAERN CC(C)[C@@H]1CCC[C@H](C)C1=O 196132350 571873280 /nfs/dbraw/zinc/87/32/80/571873280.db2.gz DOUYYSQZVFGGLN-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](C)C(=O)c1ccnn1C(C)C 300749584 571873409 /nfs/dbraw/zinc/87/34/09/571873409.db2.gz JYXYQORJYDJMHB-VIFPVBQESA-N 0 0 194.278 2.693 10 0 AFAERN CSC[C@H](C)C(=O)[C@@H](C)C1CC1 300749239 571873495 /nfs/dbraw/zinc/87/34/95/571873495.db2.gz FPGKJKNLAMXOQJ-YUMQZZPRSA-N 0 0 186.320 2.601 10 0 AFAERN CC(C)CCC(=O)[C@@H]1CCOC[C@@H]1C 301048824 571873587 /nfs/dbraw/zinc/87/35/87/571873587.db2.gz ZHJKPWHVLBWQKY-WDEREUQCSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@H](OC)C(=O)CCC1CCCC1 300749386 571873634 /nfs/dbraw/zinc/87/36/34/571873634.db2.gz KMBGTDLJDABPDC-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)CCC(=O)[C@@H]1CCOC[C@H]1C 301048821 571874062 /nfs/dbraw/zinc/87/40/62/571874062.db2.gz ZHJKPWHVLBWQKY-GHMZBOCLSA-N 0 0 198.306 2.664 10 0 AFAERN CCC(F)(F)C(=O)c1ccccc1 39054962 571874263 /nfs/dbraw/zinc/87/42/63/571874263.db2.gz NVPFWBRYRHCQHD-UHFFFAOYSA-N 0 0 184.185 2.915 10 0 AFAERN CCOC(=O)/C=C/C=C1/CCC[C@H]1C 300749030 571874295 /nfs/dbraw/zinc/87/42/95/571874295.db2.gz KJJIGEWZKONMSM-OOGHPESVSA-N 0 0 194.274 2.852 10 0 AFAERN COc1c(C)cc(C=O)c(C)c1Cl 111927450 571874465 /nfs/dbraw/zinc/87/44/65/571874465.db2.gz AZUQNQIDALQPCR-UHFFFAOYSA-N 0 0 198.649 2.778 10 0 AFAERN CCCC[C@](C)(O)c1nccs1 111871180 571874485 /nfs/dbraw/zinc/87/44/85/571874485.db2.gz HOJGCYJMSGRTDE-VIFPVBQESA-N 0 0 185.292 2.541 10 0 AFAERN CSC[C@H](C)C(=O)[C@H](C)C1CC1 300749237 571874533 /nfs/dbraw/zinc/87/45/33/571874533.db2.gz FPGKJKNLAMXOQJ-JGVFFNPUSA-N 0 0 186.320 2.601 10 0 AFAERN CSC[C@@H](C)C(=O)[C@H](C)C1CC1 300749236 571874549 /nfs/dbraw/zinc/87/45/49/571874549.db2.gz FPGKJKNLAMXOQJ-HTQZYQBOSA-N 0 0 186.320 2.601 10 0 AFAERN CC(C)=CCC(=O)c1cccnc1 196131807 571874559 /nfs/dbraw/zinc/87/45/59/571874559.db2.gz NBKKIRJBOZZCTP-UHFFFAOYSA-N 0 0 175.231 2.621 10 0 AFAERN COCC(=O)CCCC1CCCC1 300750286 571875957 /nfs/dbraw/zinc/87/59/57/571875957.db2.gz KWWZTDYXEHZBRN-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CC[C@H](C)Oc1ccc(C=O)c(F)c1 404126264 571874951 /nfs/dbraw/zinc/87/49/51/571874951.db2.gz PZGPQUVIICKWHB-QMMMGPOBSA-N 0 0 196.221 2.816 10 0 AFAERN CC(C)[C@H]1CCC[C@H](C)C1=O 196132342 571874957 /nfs/dbraw/zinc/87/49/57/571874957.db2.gz DOUYYSQZVFGGLN-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)Cc1cc(C)c(C)c(C)c1 6662077 571875100 /nfs/dbraw/zinc/87/51/00/571875100.db2.gz GCIBBBOBJIHQFT-UHFFFAOYSA-N 0 0 176.259 2.743 10 0 AFAERN CC(C)[C@@H]1CCC[C@@H](C)C1=O 196132348 571875109 /nfs/dbraw/zinc/87/51/09/571875109.db2.gz DOUYYSQZVFGGLN-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CNc1ccccc1CSC 196130911 571875206 /nfs/dbraw/zinc/87/52/06/571875206.db2.gz BXDKSZHHBAFPOF-UHFFFAOYSA-N 0 0 167.277 2.591 10 0 AFAERN CC(C)(CO)CCC1CCCC1 300745669 571875681 /nfs/dbraw/zinc/87/56/81/571875681.db2.gz JJUMXPUVPWGSGR-UHFFFAOYSA-N 0 0 170.296 2.975 10 0 AFAERN FC(F)(F)COc1cccs1 144925385 571875347 /nfs/dbraw/zinc/87/53/47/571875347.db2.gz GVKPFMBZBBQFTP-UHFFFAOYSA-N 0 0 182.166 2.689 10 0 AFAERN COC[C@@H](C)Oc1cccc(C)c1C 234678662 571875412 /nfs/dbraw/zinc/87/54/12/571875412.db2.gz SUDJBDOUWNAYBP-SNVBAGLBSA-N 0 0 194.274 2.717 10 0 AFAERN CC[C@@H]1CCCC[C@@H](O)CC1 39059793 571875557 /nfs/dbraw/zinc/87/55/57/571875557.db2.gz RWTSMTHEAHXRCJ-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CSC[C@@H](C)C(=O)CC1CCC1 300746640 571875528 /nfs/dbraw/zinc/87/55/28/571875528.db2.gz CZMYMOGUKQFBAY-MRVPVSSYSA-N 0 0 186.320 2.745 10 0 AFAERN CCCC[C@H]1CC[C@@](C)(O)C1 39059760 571875654 /nfs/dbraw/zinc/87/56/54/571875654.db2.gz BOMLYGFHWNNXID-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@H](CC1CC1)NC(=O)C=C(C)C 300744492 571875708 /nfs/dbraw/zinc/87/57/08/571875708.db2.gz LIKAUVKULXLCLF-NSHDSACASA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)(C)CCCC1(CO)CC1 300747334 571875923 /nfs/dbraw/zinc/87/59/23/571875923.db2.gz DIVNKPUMOOHQHB-UHFFFAOYSA-N 0 0 170.296 2.975 10 0 AFAERN CC(C)(C)CCC[C@@H](NN)C1CCC1 300745621 571875928 /nfs/dbraw/zinc/87/59/28/571875928.db2.gz OXUPOJQVDZBXKP-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN CC1=C(C(C)C)C[C@@H](O)CC1 39059525 571875995 /nfs/dbraw/zinc/87/59/95/571875995.db2.gz DGYIQKCRGZWREA-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H]1/C=C/CCCC[C@@H]1O 39059518 571876198 /nfs/dbraw/zinc/87/61/98/571876198.db2.gz ZTPRQXJPENDDLG-MLXLLJIISA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)=C[C@@H](CCC(C)(C)C)NN 300745548 571876230 /nfs/dbraw/zinc/87/62/30/571876230.db2.gz OVXLRKHTQMETFT-SNVBAGLBSA-N 0 0 184.327 2.611 10 0 AFAERN CC(=O)[C@H](C)OC[C@@H]1CCC[C@H](C)C1 300745817 571876236 /nfs/dbraw/zinc/87/62/36/571876236.db2.gz IWXIXTCTBHNOEQ-ZMLRMANQSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H]1CCCCCC[C@@H]1O 39059791 571876301 /nfs/dbraw/zinc/87/63/01/571876301.db2.gz CSLRKQMZQQVEJJ-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC/C=C(\CC)C(OC)OC 2564077 571876367 /nfs/dbraw/zinc/87/63/67/571876367.db2.gz XSMTYWJVGSBFGS-CMDGGOBGSA-N 0 0 172.268 2.742 10 0 AFAERN CCCC[C@@H]1CC[C@@](C)(O)C1 39059758 571876388 /nfs/dbraw/zinc/87/63/88/571876388.db2.gz BOMLYGFHWNNXID-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CC(=O)[C@H](C)OC[C@H]1CCC[C@@H](C)C1 300745815 571876444 /nfs/dbraw/zinc/87/64/44/571876444.db2.gz IWXIXTCTBHNOEQ-USWWRNFRSA-N 0 0 198.306 2.807 10 0 AFAERN C=Cc1ccc2c(ccn2C(C)=O)c1 6810545 571876476 /nfs/dbraw/zinc/87/64/76/571876476.db2.gz PQKWNQXYGRFYBJ-UHFFFAOYSA-N 0 0 185.226 2.944 10 0 AFAERN CC[C@@H](NC(=O)C=C(C)C)C(C)C 300746817 571876518 /nfs/dbraw/zinc/87/65/18/571876518.db2.gz XFKVZULLARHUFB-SNVBAGLBSA-N 0 0 183.295 2.503 10 0 AFAERN CCC1=C(CC)CC(=O)CC1 39059416 571876720 /nfs/dbraw/zinc/87/67/20/571876720.db2.gz GQPIZFQGBVEOMZ-UHFFFAOYSA-N 0 0 152.237 2.856 10 0 AFAERN CC(=O)[C@H](C)OC[C@H]1CCC[C@H](C)C1 300745813 571876751 /nfs/dbraw/zinc/87/67/51/571876751.db2.gz IWXIXTCTBHNOEQ-DLOVCJGASA-N 0 0 198.306 2.807 10 0 AFAERN COCCCCCn1c(C)ccc1C 234678769 571876773 /nfs/dbraw/zinc/87/67/73/571876773.db2.gz JSSCECKSPSBPAA-UHFFFAOYSA-N 0 0 195.306 2.922 10 0 AFAERN CCC(CC)[C@H](C)NC(=O)C=C(C)C 300743211 571876822 /nfs/dbraw/zinc/87/68/22/571876822.db2.gz GFFCFFMUNRRKPL-JTQLQIEISA-N 0 0 197.322 2.894 10 0 AFAERN C/C=C/CCNC(=O)CCC(C)(C)C 300746804 571876860 /nfs/dbraw/zinc/87/68/60/571876860.db2.gz WHHQSZCMQLDCQY-AATRIKPKSA-N 0 0 197.322 2.895 10 0 AFAERN CCCC[C@@H]1CC[C@](C)(O)C1 39059762 571877026 /nfs/dbraw/zinc/87/70/26/571877026.db2.gz BOMLYGFHWNNXID-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN COc1ccc2c(n1)[nH]c1ccccc12 214584421 571877180 /nfs/dbraw/zinc/87/71/80/571877180.db2.gz WGBCOANBJDVIJA-UHFFFAOYSA-N 0 0 198.225 2.725 10 0 AFAERN CCCCN(C)C(=O)N/C=C(\C)CC 218851974 571877234 /nfs/dbraw/zinc/87/72/34/571877234.db2.gz VKVSXZBSKBYJTO-MDZDMXLPSA-N 0 0 198.310 2.742 10 0 AFAERN CC[C@H](CC1CC1)NC(=O)C=C(C)C 300744490 571877278 /nfs/dbraw/zinc/87/72/78/571877278.db2.gz LIKAUVKULXLCLF-LLVKDONJSA-N 0 0 195.306 2.648 10 0 AFAERN CCCC[C@H]1CC[C@](C)(O)C1 39059763 571877393 /nfs/dbraw/zinc/87/73/93/571877393.db2.gz BOMLYGFHWNNXID-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN C/C=C1\C[C@]1(CO)c1ccccc1C 214590926 571877469 /nfs/dbraw/zinc/87/74/69/571877469.db2.gz SKAQKHJLOUFNJW-LXRBDXNZSA-N 0 0 188.270 2.575 10 0 AFAERN CC(C)(C)CCC[C@H](NN)C1CCC1 300745622 571877495 /nfs/dbraw/zinc/87/74/95/571877495.db2.gz OXUPOJQVDZBXKP-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN COc1ccc2c(C)c(O)ccc2c1 39074855 571881111 /nfs/dbraw/zinc/88/11/11/571881111.db2.gz YGBZCQBQTDNRGR-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN COC[C@@H](C)[C@@H](O)C1=CCCCCC1 234685554 571881114 /nfs/dbraw/zinc/88/11/14/571881114.db2.gz DCYNYWOFZIQPFH-ZYHUDNBSSA-N 0 0 198.306 2.520 10 0 AFAERN CCC(=O)c1ccc(C(=O)CC)cc1 2567518 571877672 /nfs/dbraw/zinc/87/76/72/571877672.db2.gz RJJQKFVSENWLLE-UHFFFAOYSA-N 0 0 190.242 2.872 10 0 AFAERN CC(C)=C[C@H](CCC(C)(C)C)NN 300745546 571877735 /nfs/dbraw/zinc/87/77/35/571877735.db2.gz OVXLRKHTQMETFT-JTQLQIEISA-N 0 0 184.327 2.611 10 0 AFAERN CCCC/C=C\CC(C)=O 39069068 571877762 /nfs/dbraw/zinc/87/77/62/571877762.db2.gz FOBAEHIPCFVYAR-SREVYHEPSA-N 0 0 140.226 2.712 10 0 AFAERN CCC(CC)[C@@H](C)NC(=O)C=C(C)C 300743212 571877766 /nfs/dbraw/zinc/87/77/66/571877766.db2.gz GFFCFFMUNRRKPL-SNVBAGLBSA-N 0 0 197.322 2.894 10 0 AFAERN CCc1cc(C(C)=O)ccc1C 39071340 571877872 /nfs/dbraw/zinc/87/78/72/571877872.db2.gz GWJBQRIAMABLAA-UHFFFAOYSA-N 0 0 162.232 2.760 10 0 AFAERN CC(C)[C@@H](CCCC(C)(C)C)NN 300742942 571878044 /nfs/dbraw/zinc/87/80/44/571878044.db2.gz NYPRHRLOBKYQHV-SNVBAGLBSA-N 0 0 186.343 2.691 10 0 AFAERN CCC[C@H](O)C[C@H](C)CC(F)F 687874808 571881137 /nfs/dbraw/zinc/88/11/37/571881137.db2.gz BPMMEYXVAWNFOO-YUMQZZPRSA-N 0 0 180.238 2.829 10 0 AFAERN OCc1coc2ccc(Cl)cc12 6829257 571878112 /nfs/dbraw/zinc/87/81/12/571878112.db2.gz SUSFDNODTSHTOM-UHFFFAOYSA-N 0 0 182.606 2.579 10 0 AFAERN CC(C)(C)CCC[C@@H](CC1CC1)NN 300754834 571881143 /nfs/dbraw/zinc/88/11/43/571881143.db2.gz TWHXFEKSFCCAGK-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN CSC[C@@H](C)[C@@H](O)C1CCCC1 300751744 571878314 /nfs/dbraw/zinc/87/83/14/571878314.db2.gz HHNBLAGVJQFCCB-PSASIEDQSA-N 0 0 188.336 2.537 10 0 AFAERN CCCC(=O)CCCc1ccco1 41201239 571878460 /nfs/dbraw/zinc/87/84/60/571878460.db2.gz DOHCQDMLQPWGTP-UHFFFAOYSA-N 0 0 180.247 2.972 10 0 AFAERN Cc1ccc(C(C)C)c(OC(N)=O)c1 6922582 571878516 /nfs/dbraw/zinc/87/85/16/571878516.db2.gz RWGZAWZBYACPMV-UHFFFAOYSA-N 0 0 193.246 2.576 10 0 AFAERN CSC[C@H](C)[C@H](O)C1CCCC1 300751747 571878583 /nfs/dbraw/zinc/87/85/83/571878583.db2.gz HHNBLAGVJQFCCB-WPRPVWTQSA-N 0 0 188.336 2.537 10 0 AFAERN CCc1ccc(C)c(C(C)=O)c1 39071335 571878585 /nfs/dbraw/zinc/87/85/85/571878585.db2.gz TWJILFBDZKFYPT-UHFFFAOYSA-N 0 0 162.232 2.760 10 0 AFAERN CC[C@@H](C)/C=C\CC(C)=O 39068996 571878660 /nfs/dbraw/zinc/87/86/60/571878660.db2.gz CKYMNRBISSRKLV-RPSMYOMKSA-N 0 0 140.226 2.568 10 0 AFAERN CCC(=O)CCCCc1ccco1 41201233 571878840 /nfs/dbraw/zinc/87/88/40/571878840.db2.gz QCDPHPVTNNHOLP-UHFFFAOYSA-N 0 0 180.247 2.972 10 0 AFAERN CC1=CC(C)(C)CC(=O)[C@H]1C 39074180 571878868 /nfs/dbraw/zinc/87/88/68/571878868.db2.gz IUHOAZPLWKKODH-QMMMGPOBSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@H]1CCC(C)=C[C@H]1C 39069878 571878894 /nfs/dbraw/zinc/87/88/94/571878894.db2.gz LXWLBFXNZBZRMK-SCZZXKLOSA-N 0 0 152.237 2.568 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ccnn1C(C)C 300751413 571878921 /nfs/dbraw/zinc/87/89/21/571878921.db2.gz KNOWXSOTTIGORD-GXSJLCMTSA-N 0 0 196.294 2.544 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ccnn1C(C)C 300751414 571878988 /nfs/dbraw/zinc/87/89/88/571878988.db2.gz KNOWXSOTTIGORD-KOLCDFICSA-N 0 0 196.294 2.544 10 0 AFAERN CC(=O)[C@@H]1C[C@@]2(C)C=C[C@@H]1CC2 39071663 571879242 /nfs/dbraw/zinc/87/92/42/571879242.db2.gz ZPUCCDOQISFGGG-VWYCJHECSA-N 0 0 164.248 2.568 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](CCCC(C)(C)C)NN 300750807 571879293 /nfs/dbraw/zinc/87/92/93/571879293.db2.gz RDVLHMPSYFKDOL-VWYCJHECSA-N 0 0 198.354 2.691 10 0 AFAERN CCn1cccc2cccc1-2 39079473 571881588 /nfs/dbraw/zinc/88/15/88/571881588.db2.gz JLEPQQNPJPOPTM-UHFFFAOYSA-N 0 0 145.205 2.613 10 0 AFAERN CSC[C@H](C)[C@@H](O)C1CCCC1 300751746 571879325 /nfs/dbraw/zinc/87/93/25/571879325.db2.gz HHNBLAGVJQFCCB-WCBMZHEXSA-N 0 0 188.336 2.537 10 0 AFAERN CO[C@H](C)C(=O)CCC1CCCCC1 300752018 571879347 /nfs/dbraw/zinc/87/93/47/571879347.db2.gz LJXSGVZBINXPSQ-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN CCC[C@H](C)CO[C@H](C)[C@H](O)CC 300018840 571879505 /nfs/dbraw/zinc/87/95/05/571879505.db2.gz XIADBUPFVSARKQ-HBNTYKKESA-N 0 0 188.311 2.599 10 0 AFAERN CCc1ccc(C(C)=O)cc1F 39071878 571879525 /nfs/dbraw/zinc/87/95/25/571879525.db2.gz QWMCJRIHOYBIPR-UHFFFAOYSA-N 0 0 166.195 2.591 10 0 AFAERN CCC[C@H](C)CO[C@@H](C)[C@H](O)CC 300018835 571879550 /nfs/dbraw/zinc/87/95/50/571879550.db2.gz XIADBUPFVSARKQ-GARJFASQSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ccnn1C(C)C 300751415 571879608 /nfs/dbraw/zinc/87/96/08/571879608.db2.gz KNOWXSOTTIGORD-MWLCHTKSSA-N 0 0 196.294 2.544 10 0 AFAERN CCC[C@H](C)CO[C@@H](C)C[C@H](C)O 300018553 571879768 /nfs/dbraw/zinc/87/97/68/571879768.db2.gz WNBNGVWMWMTWNL-DCAQKATOSA-N 0 0 188.311 2.599 10 0 AFAERN CCC(=O)CCCCc1cccnc1 41205242 571879882 /nfs/dbraw/zinc/87/98/82/571879882.db2.gz WNOSGLOUZXRWNU-UHFFFAOYSA-N 0 0 191.274 2.774 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](CCCC(C)(C)C)NN 300750801 571879908 /nfs/dbraw/zinc/87/99/08/571879908.db2.gz RDVLHMPSYFKDOL-GMTAPVOTSA-N 0 0 198.354 2.691 10 0 AFAERN CCc1c(C(C)=O)oc(C)c1C 39072062 571879947 /nfs/dbraw/zinc/87/99/47/571879947.db2.gz LXHFELWHOHQOIZ-UHFFFAOYSA-N 0 0 166.220 2.661 10 0 AFAERN CC(=O)O[C@@H]1CCC(C)(C)C=C1C 39074716 571881617 /nfs/dbraw/zinc/88/16/17/571881617.db2.gz DAYZBIJFCIIFJX-SNVBAGLBSA-N 0 0 182.263 2.684 10 0 AFAERN CSC[C@@H](C)[C@H](O)C1CCCC1 300751745 571880032 /nfs/dbraw/zinc/88/00/32/571880032.db2.gz HHNBLAGVJQFCCB-SCZZXKLOSA-N 0 0 188.336 2.537 10 0 AFAERN CCC[C@H](O)C[C@@H](C)CC(F)F 687874807 571881619 /nfs/dbraw/zinc/88/16/19/571881619.db2.gz BPMMEYXVAWNFOO-SFYZADRCSA-N 0 0 180.238 2.829 10 0 AFAERN CO[C@@H](C)C(=O)CCC1CCCCC1 300752017 571880202 /nfs/dbraw/zinc/88/02/02/571880202.db2.gz LJXSGVZBINXPSQ-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](CCCC(C)(C)C)NN 300750806 571880231 /nfs/dbraw/zinc/88/02/31/571880231.db2.gz RDVLHMPSYFKDOL-OUAUKWLOSA-N 0 0 198.354 2.691 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](CCCC(C)(C)C)NN 300750804 571880236 /nfs/dbraw/zinc/88/02/36/571880236.db2.gz RDVLHMPSYFKDOL-MXWKQRLJSA-N 0 0 198.354 2.691 10 0 AFAERN COc1ccc(C)c2occc12 39074293 571880256 /nfs/dbraw/zinc/88/02/56/571880256.db2.gz XCBICAXYZPPPSA-UHFFFAOYSA-N 0 0 162.188 2.750 10 0 AFAERN OCC1=CCCC[C@H]1c1ccccc1 39074877 571880263 /nfs/dbraw/zinc/88/02/63/571880263.db2.gz LCIKLKIQRLIQRB-ZDUSSCGKSA-N 0 0 188.270 2.873 10 0 AFAERN Cc1cccc(O[C@H]2CCCO2)c1 216600475 571880333 /nfs/dbraw/zinc/88/03/33/571880333.db2.gz NTAVMBFSWSKKIR-NSHDSACASA-N 0 0 178.231 2.510 10 0 AFAERN Cc1cccc(O[C@@H]2CCCO2)c1 216600434 571880346 /nfs/dbraw/zinc/88/03/46/571880346.db2.gz NTAVMBFSWSKKIR-LLVKDONJSA-N 0 0 178.231 2.510 10 0 AFAERN OCC1=CCCC[C@@H]1c1ccccc1 39074878 571880366 /nfs/dbraw/zinc/88/03/66/571880366.db2.gz LCIKLKIQRLIQRB-CYBMUJFWSA-N 0 0 188.270 2.873 10 0 AFAERN CCCCCn1nc(C)c(C=O)c1C 30769336 571880392 /nfs/dbraw/zinc/88/03/92/571880392.db2.gz XZWGPKXLWDFKKT-UHFFFAOYSA-N 0 0 194.278 2.503 10 0 AFAERN CC1=CC[C@H]([C@]2(C)CC[C@H](O)O2)CC1 205637428 571880501 /nfs/dbraw/zinc/88/05/01/571880501.db2.gz SNDVMLDLXAKQKU-TUAOUCFPSA-N 0 0 196.290 2.620 10 0 AFAERN C[C@@H]1CCc2ccc(O)cc2C1 39074298 571880688 /nfs/dbraw/zinc/88/06/88/571880688.db2.gz OUCNFOFAWLQHKH-MRVPVSSYSA-N 0 0 162.232 2.517 10 0 AFAERN CCOC(=O)/C=C/C=C(/CC)C1CC1 300754969 571880796 /nfs/dbraw/zinc/88/07/96/571880796.db2.gz MELDSNFSRDTAIF-ZUVZAJTGSA-N 0 0 194.274 2.852 10 0 AFAERN Cc1cc(O)c(Cl)c(C)c1C 39074481 571880837 /nfs/dbraw/zinc/88/08/37/571880837.db2.gz KKAZFJAEIQBKMW-UHFFFAOYSA-N 0 0 170.639 2.971 10 0 AFAERN OC/C=C/C=C/c1ccc(Cl)cc1 39075091 571880909 /nfs/dbraw/zinc/88/09/09/571880909.db2.gz KKLSREAUUOGBME-ZPUQHVIOSA-N 0 0 194.661 2.902 10 0 AFAERN Cc1oc2ccccc2c(=O)c1Cl 39075090 571881212 /nfs/dbraw/zinc/88/12/12/571881212.db2.gz OEKOZJOYVUFXEC-UHFFFAOYSA-N 0 0 194.617 2.755 10 0 AFAERN Cc1cccc(C(=O)CC(C)C)c1N 39074954 571881221 /nfs/dbraw/zinc/88/12/21/571881221.db2.gz UEJAIGJSXCWVII-UHFFFAOYSA-N 0 0 191.274 2.806 10 0 AFAERN Cc1ccc2c(C)ccn2c1 39079486 571881231 /nfs/dbraw/zinc/88/12/31/571881231.db2.gz ODWQFFGUNGAGLV-UHFFFAOYSA-N 0 0 145.205 2.556 10 0 AFAERN C[C@H]1CCc2ccc(O)cc2C1 39074299 571881238 /nfs/dbraw/zinc/88/12/38/571881238.db2.gz OUCNFOFAWLQHKH-QMMMGPOBSA-N 0 0 162.232 2.517 10 0 AFAERN OCC1(CCCC(F)F)CCCC1 687874794 571881697 /nfs/dbraw/zinc/88/16/97/571881697.db2.gz BHHOTOWBLLABSB-UHFFFAOYSA-N 0 0 192.249 2.975 10 0 AFAERN CC/C=C\CC1=C(C)CC[C@H]1O 34596507 571881709 /nfs/dbraw/zinc/88/17/09/571881709.db2.gz KLSDANJCLNFXNK-DOGVGXBMSA-N 0 0 166.264 2.814 10 0 AFAERN CC[C@H](O)C(=O)[C@H]1CCCC[C@H]1CC 300040667 571881740 /nfs/dbraw/zinc/88/17/40/571881740.db2.gz SSBGQCBIKJKADB-VWYCJHECSA-N 0 0 198.306 2.543 10 0 AFAERN CCCCC(=O)c1ccnn1C(C)C 300754959 571881793 /nfs/dbraw/zinc/88/17/93/571881793.db2.gz LUIIZVXZEBCJCR-UHFFFAOYSA-N 0 0 194.278 2.837 10 0 AFAERN C1=Cn2cc3ccsc3c21 39079787 571882019 /nfs/dbraw/zinc/88/20/19/571882019.db2.gz QGPHHVFPBLLXCY-UHFFFAOYSA-N 0 0 147.202 2.644 10 0 AFAERN CC/C=C\CC1=C(C)CC[C@@H]1O 34596506 571882158 /nfs/dbraw/zinc/88/21/58/571882158.db2.gz KLSDANJCLNFXNK-WYGGZMRJSA-N 0 0 166.264 2.814 10 0 AFAERN COc1cccn2cc(C3CC3)cc12 39074837 571882211 /nfs/dbraw/zinc/88/22/11/571882211.db2.gz AZONVNQHCQMGHP-UHFFFAOYSA-N 0 0 187.242 2.825 10 0 AFAERN CCC[C@@H](O)C[C@@H](C)CC(F)F 687874804 571882634 /nfs/dbraw/zinc/88/26/34/571882634.db2.gz BPMMEYXVAWNFOO-HTQZYQBOSA-N 0 0 180.238 2.829 10 0 AFAERN CCC[C@H](O)C(=O)[C@@H]1CCC[C@H](C)C1 300037735 571882598 /nfs/dbraw/zinc/88/25/98/571882598.db2.gz HPNJQJHZPBBOLS-AXFHLTTASA-N 0 0 198.306 2.543 10 0 AFAERN O=C1CCCC[C@H](C[C@@H]2CCCO2)C1 70740454 571883092 /nfs/dbraw/zinc/88/30/92/571883092.db2.gz UKAHFHHIPHXDBK-JQWIXIFHSA-N 0 0 196.290 2.705 10 0 AFAERN CCC[C@H](O)C(=O)[C@H]1CCC[C@H](C)C1 300037737 571883097 /nfs/dbraw/zinc/88/30/97/571883097.db2.gz HPNJQJHZPBBOLS-DCAQKATOSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)CCOCC[C@H]1CCC(=O)C1 70738419 571882865 /nfs/dbraw/zinc/88/28/65/571882865.db2.gz RXKGQSCZTCSDSC-LLVKDONJSA-N 0 0 198.306 2.808 10 0 AFAERN O=C1CCCC[C@@H](C[C@@H]2CCCO2)C1 70740451 571882978 /nfs/dbraw/zinc/88/29/78/571882978.db2.gz UKAHFHHIPHXDBK-PWSUYJOCSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)(C)CCC[C@H](CC1CC1)NN 300754832 571883036 /nfs/dbraw/zinc/88/30/36/571883036.db2.gz TWHXFEKSFCCAGK-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN CCC[C@@H](O)C[C@H](C)CC(F)F 687874806 571883139 /nfs/dbraw/zinc/88/31/39/571883139.db2.gz BPMMEYXVAWNFOO-JGVFFNPUSA-N 0 0 180.238 2.829 10 0 AFAERN CC[C@@H]1CC[C@@H](c2nc(O)c(C)[nH]2)C1 233946515 571883379 /nfs/dbraw/zinc/88/33/79/571883379.db2.gz JWEGKGJCQIRWQE-RKDXNWHRSA-N 0 0 194.278 2.717 10 0 AFAERN CC(C)OCC[C@H]1CCCC(=O)C1 70737964 571883627 /nfs/dbraw/zinc/88/36/27/571883627.db2.gz GPKKNXQIJUCGDQ-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)CCOCC[C@@H]1CCC(=O)C1 70738418 571883755 /nfs/dbraw/zinc/88/37/55/571883755.db2.gz RXKGQSCZTCSDSC-NSHDSACASA-N 0 0 198.306 2.808 10 0 AFAERN O=C1CCCC[C@@H](C[C@H]2CCCO2)C1 70740456 571883839 /nfs/dbraw/zinc/88/38/39/571883839.db2.gz UKAHFHHIPHXDBK-ZYHUDNBSSA-N 0 0 196.290 2.705 10 0 AFAERN CCCC[C@@H](C)Nc1cc(N)ns1 300029164 571883940 /nfs/dbraw/zinc/88/39/40/571883940.db2.gz HVPKEZMWFHROAQ-SSDOTTSWSA-N 0 0 199.323 2.716 10 0 AFAERN CC(C)OCCCCC(=O)C1CC1 70739789 571884093 /nfs/dbraw/zinc/88/40/93/571884093.db2.gz PDACDLSUNRTSMI-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC[C@H](O)c1ncccc1Cl 300040494 571884142 /nfs/dbraw/zinc/88/41/42/571884142.db2.gz SKCGZQROIDCSGM-VIFPVBQESA-N 0 0 199.681 2.959 10 0 AFAERN Cc1c(F)c(F)c(F)c2c1O2 39088867 571884143 /nfs/dbraw/zinc/88/41/43/571884143.db2.gz DSZQGINBAXMGHM-UHFFFAOYSA-N 0 0 160.094 2.518 10 0 AFAERN CCC(=O)CCCCOC(C)C 70739109 571884233 /nfs/dbraw/zinc/88/42/33/571884233.db2.gz CDQMTNKLTHCKHF-UHFFFAOYSA-N 0 0 172.268 2.561 10 0 AFAERN CCCCOCC[C@H]1CCCC(=O)C1 70737825 571884260 /nfs/dbraw/zinc/88/42/60/571884260.db2.gz HLVSOMQDXAUIIV-LLVKDONJSA-N 0 0 198.306 2.953 10 0 AFAERN CCCCOCCCCC(=O)C1CC1 70739926 571884452 /nfs/dbraw/zinc/88/44/52/571884452.db2.gz JBIUFWFJWFTMEC-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CC[C@H]1CCCC[C@H]1OC(C)=O 39089738 571884590 /nfs/dbraw/zinc/88/45/90/571884590.db2.gz FTTKPCQDOGXTPC-VHSXEESVSA-N 0 0 170.252 2.518 10 0 AFAERN COC[C@H](C)CCC(=O)C(C)(C)C 70740103 571884855 /nfs/dbraw/zinc/88/48/55/571884855.db2.gz BKSFAENSUZVHIW-SECBINFHSA-N 0 0 186.295 2.664 10 0 AFAERN CCCCOCC[C@@H]1CCC(=O)C1 70738589 571884960 /nfs/dbraw/zinc/88/49/60/571884960.db2.gz CCSIFIJHZQVQIB-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN CCCCOCC[C@@H]1CCCC(=O)C1 70737822 571884965 /nfs/dbraw/zinc/88/49/65/571884965.db2.gz HLVSOMQDXAUIIV-NSHDSACASA-N 0 0 198.306 2.953 10 0 AFAERN COC[C@@H](C)CCC(=O)C(C)(C)C 70740102 571885040 /nfs/dbraw/zinc/88/50/40/571885040.db2.gz BKSFAENSUZVHIW-VIFPVBQESA-N 0 0 186.295 2.664 10 0 AFAERN COC[C@H](C)C(=O)CC1=CCCCC1 686226148 571885087 /nfs/dbraw/zinc/88/50/87/571885087.db2.gz IUVDKXFTLSIRTL-JTQLQIEISA-N 0 0 196.290 2.729 10 0 AFAERN O[C@@H](CCCC(F)F)C1CCC1 687875330 571885224 /nfs/dbraw/zinc/88/52/24/571885224.db2.gz DJGQJXOVEOSLKA-QMMMGPOBSA-N 0 0 178.222 2.583 10 0 AFAERN CC(C)OCCCCC(=O)C(C)C 70739565 571885344 /nfs/dbraw/zinc/88/53/44/571885344.db2.gz VCIZUGDEDUMOBA-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN c1ccn(NCCC2CCCC2)c1 300756378 571885422 /nfs/dbraw/zinc/88/54/22/571885422.db2.gz MRTNYKJRNYIAGS-UHFFFAOYSA-N 0 0 178.279 2.612 10 0 AFAERN OCCSCCC1CCCCC1 300756257 571885472 /nfs/dbraw/zinc/88/54/72/571885472.db2.gz MQLLTDCYRDYSIV-UHFFFAOYSA-N 0 0 188.336 2.682 10 0 AFAERN COC[C@H](C)C(=O)CCC(C)(C)C 686226126 571886595 /nfs/dbraw/zinc/88/65/95/571886595.db2.gz BOACYWATCWZDJU-VIFPVBQESA-N 0 0 186.295 2.664 10 0 AFAERN CSC[C@H](C)[C@H](O)CCC(C)C 300756350 571886598 /nfs/dbraw/zinc/88/65/98/571886598.db2.gz JXORPJQJFYPZDR-VHSXEESVSA-N 0 0 190.352 2.783 10 0 AFAERN COC[C@@H](C)C(=O)CC1=CCCCC1 686226149 571885786 /nfs/dbraw/zinc/88/57/86/571885786.db2.gz IUVDKXFTLSIRTL-SNVBAGLBSA-N 0 0 196.290 2.729 10 0 AFAERN CSC[C@@H](C)C(=O)[C@H](C)C(C)C 300758294 571885805 /nfs/dbraw/zinc/88/58/05/571885805.db2.gz LCHGRULLPMPQNK-RKDXNWHRSA-N 0 0 188.336 2.847 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1OC(C)=O 39089736 571885813 /nfs/dbraw/zinc/88/58/13/571885813.db2.gz FTTKPCQDOGXTPC-ZJUUUORDSA-N 0 0 170.252 2.518 10 0 AFAERN O=C1CCCC[C@H](C[C@H]2CCCO2)C1 70740458 571885856 /nfs/dbraw/zinc/88/58/56/571885856.db2.gz UKAHFHHIPHXDBK-CMPLNLGQSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)OCC[C@H]1CCCCC(=O)C1 70740249 571885889 /nfs/dbraw/zinc/88/58/89/571885889.db2.gz OXYWFRPHYWEPCU-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CSC[C@@H](C)[C@H](O)CCC(C)C 300756345 571885993 /nfs/dbraw/zinc/88/59/93/571885993.db2.gz JXORPJQJFYPZDR-NXEZZACHSA-N 0 0 190.352 2.783 10 0 AFAERN CC(C)OCC[C@@H]1CCCCC(=O)C1 70740246 571886032 /nfs/dbraw/zinc/88/60/32/571886032.db2.gz OXYWFRPHYWEPCU-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN CSC[C@H](C)C(=O)[C@H](C)C(C)C 300758288 571886044 /nfs/dbraw/zinc/88/60/44/571886044.db2.gz LCHGRULLPMPQNK-DTWKUNHWSA-N 0 0 188.336 2.847 10 0 AFAERN COC[C@@H](C)C(=O)CCC(C)(C)C 686226125 571886131 /nfs/dbraw/zinc/88/61/31/571886131.db2.gz BOACYWATCWZDJU-SECBINFHSA-N 0 0 186.295 2.664 10 0 AFAERN COC[C@H](C)C(=O)C1CCCCCC1 686226255 571886137 /nfs/dbraw/zinc/88/61/37/571886137.db2.gz ROXMLBAUNPNWIU-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN O[C@@H](CCCC(F)F)c1ccco1 687875738 571886139 /nfs/dbraw/zinc/88/61/39/571886139.db2.gz GAAPNVQXTAHAHF-ZETCQYMHSA-N 0 0 190.189 2.748 10 0 AFAERN CC(C)[C@@]1(C)OC[C@H](C)S1 39103749 571887059 /nfs/dbraw/zinc/88/70/59/571887059.db2.gz DSOFCEYCLIYWLF-YUMQZZPRSA-N 0 0 160.282 2.511 10 0 AFAERN CC(C)[C@H]1CC(C)(C)CC1=O 39103256 571886402 /nfs/dbraw/zinc/88/64/02/571886402.db2.gz VGAKELRUPBNCST-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN CSC[C@@H](C)[C@@H](O)CCC(C)C 300756353 571886451 /nfs/dbraw/zinc/88/64/51/571886451.db2.gz JXORPJQJFYPZDR-ZJUUUORDSA-N 0 0 190.352 2.783 10 0 AFAERN COC[C@@H](C)C(=O)C1CCCCCC1 686226256 571886466 /nfs/dbraw/zinc/88/64/66/571886466.db2.gz ROXMLBAUNPNWIU-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN CSC[C@@H](C)C(=O)[C@@H](C)C(C)C 300758286 571886667 /nfs/dbraw/zinc/88/66/67/571886667.db2.gz LCHGRULLPMPQNK-BDAKNGLRSA-N 0 0 188.336 2.847 10 0 AFAERN CCOc1c(OC)ccc2c1CC=C2 39090353 571886724 /nfs/dbraw/zinc/88/67/24/571886724.db2.gz HCCXRRXTUIHYGR-UHFFFAOYSA-N 0 0 190.242 2.663 10 0 AFAERN CC(C)[C@@]1(C)OC[C@@H](C)S1 39103748 571886765 /nfs/dbraw/zinc/88/67/65/571886765.db2.gz DSOFCEYCLIYWLF-SFYZADRCSA-N 0 0 160.282 2.511 10 0 AFAERN CC(C)n1ncc2ccccc21 39103721 571886884 /nfs/dbraw/zinc/88/68/84/571886884.db2.gz ZLJNDKIJSSGTIQ-UHFFFAOYSA-N 0 0 160.220 2.617 10 0 AFAERN CSC[C@H](C)C(=O)[C@@H](C)C(C)C 300758291 571886912 /nfs/dbraw/zinc/88/69/12/571886912.db2.gz LCHGRULLPMPQNK-IUCAKERBSA-N 0 0 188.336 2.847 10 0 AFAERN CC/C=C\CCNC(=O)OC(C)(C)C 39091266 571887158 /nfs/dbraw/zinc/88/71/58/571887158.db2.gz QXQIZVKTUCXDIB-SREVYHEPSA-N 0 0 199.294 2.867 10 0 AFAERN CC(C)[C@H]1CCC(=O)C1(C)C 39103250 571887568 /nfs/dbraw/zinc/88/75/68/571887568.db2.gz OAVKVOHNMAHPFW-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN CSC[C@H](C)[C@@H](O)CCC(C)C 300756347 571887607 /nfs/dbraw/zinc/88/76/07/571887607.db2.gz JXORPJQJFYPZDR-UWVGGRQHSA-N 0 0 190.352 2.783 10 0 AFAERN Cc1ccc(C(C)C)c(CO)c1 39103966 571887624 /nfs/dbraw/zinc/88/76/24/571887624.db2.gz QEJAXGNUBHRPPQ-UHFFFAOYSA-N 0 0 164.248 2.611 10 0 AFAERN CC(C)[C@@H]1SC[C@@H](C)S1 39103807 571887671 /nfs/dbraw/zinc/88/76/71/571887671.db2.gz FFEFMICFXSDLAM-RNFRBKRXSA-N 0 0 162.323 2.837 10 0 AFAERN O[C@H](CCCC(F)F)c1ccco1 687875723 571887770 /nfs/dbraw/zinc/88/77/70/571887770.db2.gz GAAPNVQXTAHAHF-SSDOTTSWSA-N 0 0 190.189 2.748 10 0 AFAERN CC(C)C1(C(C)C)CCCO1 39103435 571887919 /nfs/dbraw/zinc/88/79/19/571887919.db2.gz MHCJHRZIHCKYBF-UHFFFAOYSA-N 0 0 156.269 2.848 10 0 AFAERN O[C@H](CCCC(F)F)C1CCC1 687875325 571887941 /nfs/dbraw/zinc/88/79/41/571887941.db2.gz DJGQJXOVEOSLKA-MRVPVSSYSA-N 0 0 178.222 2.583 10 0 AFAERN CCOc1cc2c(cc1OC)C=CC2 39090350 571887949 /nfs/dbraw/zinc/88/79/49/571887949.db2.gz YENMQZOICUHYRU-UHFFFAOYSA-N 0 0 190.242 2.663 10 0 AFAERN CCc1cc(C)cn1C(C)C 39103081 571887951 /nfs/dbraw/zinc/88/79/51/571887951.db2.gz OAUJNYPLSURXIV-UHFFFAOYSA-N 0 0 151.253 2.940 10 0 AFAERN CC(C)[C@H]1SC[C@H](C)S1 39103806 571887962 /nfs/dbraw/zinc/88/79/62/571887962.db2.gz FFEFMICFXSDLAM-BQBZGAKWSA-N 0 0 162.323 2.837 10 0 AFAERN CC(C)[C@@]12CC[C@@](C)(CO1)C2 39103292 571888033 /nfs/dbraw/zinc/88/80/33/571888033.db2.gz GUNQMDRPDFBMSV-ZJUUUORDSA-N 0 0 154.253 2.602 10 0 AFAERN CC(C)c1ccc2c(c1)C(=O)C2 39103701 571888079 /nfs/dbraw/zinc/88/80/79/571888079.db2.gz LLRRKALXKHEMRS-UHFFFAOYSA-N 0 0 160.216 2.549 10 0 AFAERN CC(C)[C@@H]1CC[C@@](C)(F)C(=O)C1 39104587 571888865 /nfs/dbraw/zinc/88/88/65/571888865.db2.gz NGBYMFOAIMGBPC-PSASIEDQSA-N 0 0 172.243 2.740 10 0 AFAERN Cc1cc(C)n(C(C)C)c1C 39103069 571888167 /nfs/dbraw/zinc/88/81/67/571888167.db2.gz MEDLXGLEQXOFKX-UHFFFAOYSA-N 0 0 151.253 2.994 10 0 AFAERN CC(C)[C@H]1SC[C@@H](C)S1 39103805 571888339 /nfs/dbraw/zinc/88/83/39/571888339.db2.gz FFEFMICFXSDLAM-RQJHMYQMSA-N 0 0 162.323 2.837 10 0 AFAERN CC(C)[C@@H]1CC(C)(C)CC1=O 39103255 571888359 /nfs/dbraw/zinc/88/83/59/571888359.db2.gz VGAKELRUPBNCST-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](C)C[C@H](O)[C@@H](C)CSC 300760183 571888375 /nfs/dbraw/zinc/88/83/75/571888375.db2.gz LYJYZOUGCYXEMK-GUBZILKMSA-N 0 0 190.352 2.783 10 0 AFAERN CCC[C@@](C)(O)CCCC(F)F 687875857 571888400 /nfs/dbraw/zinc/88/84/00/571888400.db2.gz GOIYWOLCYGXODU-SECBINFHSA-N 0 0 180.238 2.973 10 0 AFAERN CC1=C(C(C)C)[C@H](O)CCC1 39103282 571888508 /nfs/dbraw/zinc/88/85/08/571888508.db2.gz GSSZVQVJTPIWHV-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cccc(S[C@H](C)[C@H](C)O)c1 87139953 571888524 /nfs/dbraw/zinc/88/85/24/571888524.db2.gz JTQUEOFNQWBLHM-VHSXEESVSA-N 0 0 196.315 2.856 10 0 AFAERN CC(C)[C@@]1(C)O[C@@H](C)CS1 39103755 571888528 /nfs/dbraw/zinc/88/85/28/571888528.db2.gz ZJRIRHNYIJKQAS-YUMQZZPRSA-N 0 0 160.282 2.511 10 0 AFAERN CCOCCC[C@@](O)(CC)C(C)C 689386234 571888529 /nfs/dbraw/zinc/88/85/29/571888529.db2.gz VHCYPFZZHZRNTL-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CCCC[C@H](C=C(C)C)CO 34599098 571888591 /nfs/dbraw/zinc/88/85/91/571888591.db2.gz FJVICVGSGQWOEE-SNVBAGLBSA-N 0 0 156.269 2.751 10 0 AFAERN C[C@H]1CC[C@@]1(O)CCCC(F)F 687875852 571888610 /nfs/dbraw/zinc/88/86/10/571888610.db2.gz GMWJAZLAOXTWFU-CBAPKCEASA-N 0 0 178.222 2.583 10 0 AFAERN CSCC[C@@H](O)CCCC(F)F 687876817 571888728 /nfs/dbraw/zinc/88/87/28/571888728.db2.gz JQPICKYJGHGOKW-ZETCQYMHSA-N 0 0 198.278 2.536 10 0 AFAERN CC(C)[C@@]12CCC(=O)[C@@H](C)[C@@H]1C2 39104099 571888746 /nfs/dbraw/zinc/88/87/46/571888746.db2.gz FYSICFIXDQVBNH-QXEWZRGKSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@]12CCC[C@@H]1CCCC2=O 196383436 571888775 /nfs/dbraw/zinc/88/87/75/571888775.db2.gz LEYGJAXNBDFGBW-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)[C@H]1C[C@@]12CCCC(=O)C2 39104061 571888776 /nfs/dbraw/zinc/88/87/76/571888776.db2.gz QHSNMZVGDVIZTB-MNOVXSKESA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)[C@@]1(C)OC[C@@H](C)CS1 39104765 571888820 /nfs/dbraw/zinc/88/88/20/571888820.db2.gz OZMQFKCKEVZXEF-BDAKNGLRSA-N 0 0 174.309 2.758 10 0 AFAERN CCCCc1cc(C(C)C)n[nH]1 39104073 571888963 /nfs/dbraw/zinc/88/89/63/571888963.db2.gz USRQPDZROQQCJA-UHFFFAOYSA-N 0 0 166.268 2.876 10 0 AFAERN CC1=CCC=C[C@]1(CO)C(C)C 39104106 571889082 /nfs/dbraw/zinc/88/90/82/571889082.db2.gz ZJEIWQNXXWGAHB-NSHDSACASA-N 0 0 166.264 2.527 10 0 AFAERN CCC[C@@H](O)CCCCOC(C)C 70775050 571889085 /nfs/dbraw/zinc/88/90/85/571889085.db2.gz UCULJUZXCMKDKO-LLVKDONJSA-N 0 0 188.311 2.743 10 0 AFAERN C[C@H]1C[C@H](O)C[C@H]([Si](C)(C)C)C1 196381588 571889092 /nfs/dbraw/zinc/88/90/92/571889092.db2.gz KNINSNQLXDTJBA-LPEHRKFASA-N 0 0 186.371 2.876 10 0 AFAERN C[C@@H]1CCCC(=O)[C@@]12C=CC=CC2 39111338 571889145 /nfs/dbraw/zinc/88/91/45/571889145.db2.gz SVYSAEATJRXDOP-ZYHUDNBSSA-N 0 0 176.259 2.878 10 0 AFAERN CC(C)[C@]1(O)C=Cc2ccccc21 39104789 571889157 /nfs/dbraw/zinc/88/91/57/571889157.db2.gz VMLDJOMJDZDTNM-GFCCVEGCSA-N 0 0 174.243 2.557 10 0 AFAERN CC1=C[C@H](C)CC[C@@]1(O)C(C)C 39104289 571889304 /nfs/dbraw/zinc/88/93/04/571889304.db2.gz ZEBCAPFZRROLHD-MWLCHTKSSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)C1=N[C@](C)(C(C)C)N=C1 39104103 571889308 /nfs/dbraw/zinc/88/93/08/571889308.db2.gz XYLOJUZFMFOBSI-SNVBAGLBSA-N 0 0 166.268 2.540 10 0 AFAERN CC(C)[C@@H]1C[C@]12CCCC(=O)C2 39104062 571889318 /nfs/dbraw/zinc/88/93/18/571889318.db2.gz QHSNMZVGDVIZTB-WDEREUQCSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)[C@@]12CCC[C@H]1C(=O)CC2 39104078 571889336 /nfs/dbraw/zinc/88/93/36/571889336.db2.gz JKPCDRLQLIIDCL-ONGXEEELSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@]12CCC[C@@]1(C)C(=O)CC2 39111550 571889379 /nfs/dbraw/zinc/88/93/79/571889379.db2.gz DQYHNEACAJIDLH-ZJUUUORDSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@@]12CCC[C@H]1CCCC2=O 196383460 571889424 /nfs/dbraw/zinc/88/94/24/571889424.db2.gz LEYGJAXNBDFGBW-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)[C@H]1CC[C@]2(C)C(=O)C[C@H]12 39104102 571889463 /nfs/dbraw/zinc/88/94/63/571889463.db2.gz CDSYVWBECPYHGS-KKZNHRDASA-N 0 0 166.264 2.648 10 0 AFAERN CCOCCC[C@](O)(CC)C(C)C 689386233 571889466 /nfs/dbraw/zinc/88/94/66/571889466.db2.gz VHCYPFZZHZRNTL-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN C[Si](C)(C)c1cc2ccccc2o1 196384654 571889487 /nfs/dbraw/zinc/88/94/87/571889487.db2.gz VZKDHLDVXMUSSK-UHFFFAOYSA-N 0 0 190.318 2.978 10 0 AFAERN CC/C=C\C[C@H]1CCC[C@H]1O 39111635 571889509 /nfs/dbraw/zinc/88/95/09/571889509.db2.gz PYRHHFKPVGLZRG-RWCMCFKCSA-N 0 0 154.253 2.504 10 0 AFAERN CC1=CC[C@H](C(C)C)C[C@]1(C)O 39104284 571889593 /nfs/dbraw/zinc/88/95/93/571889593.db2.gz ZLHWNKPHHBHGDH-QWRGUYRKSA-N 0 0 168.280 2.750 10 0 AFAERN CCC[C@](C)(O)CCCC(F)F 687875862 571889561 /nfs/dbraw/zinc/88/95/61/571889561.db2.gz GOIYWOLCYGXODU-VIFPVBQESA-N 0 0 180.238 2.973 10 0 AFAERN CSc1ccc(N(C)C)s1 196386470 571889577 /nfs/dbraw/zinc/88/95/77/571889577.db2.gz YOBSPVWKKNYJHR-UHFFFAOYSA-N 0 0 173.306 2.536 10 0 AFAERN CSC1(C(C)=O)CCCCC1 196388231 571889676 /nfs/dbraw/zinc/88/96/76/571889676.db2.gz FMSXYEJMPAXHSZ-UHFFFAOYSA-N 0 0 172.293 2.641 10 0 AFAERN Cc1cccc(S[C@@H](C)[C@H](C)O)c1 87139949 571889683 /nfs/dbraw/zinc/88/96/83/571889683.db2.gz JTQUEOFNQWBLHM-UWVGGRQHSA-N 0 0 196.315 2.856 10 0 AFAERN CC1=C(C)CN(C(C)C)SC1 39104531 571889693 /nfs/dbraw/zinc/88/96/93/571889693.db2.gz VXYQPQHCPVZTAY-UHFFFAOYSA-N 0 0 171.309 2.695 10 0 AFAERN CC[C@H](C)C[C@@H](O)[C@H](C)CSC 300760185 571889709 /nfs/dbraw/zinc/88/97/09/571889709.db2.gz LYJYZOUGCYXEMK-IVZWLZJFSA-N 0 0 190.352 2.783 10 0 AFAERN CC1=CC(C)(C)N=C(C(C)C)O1 39104220 571889751 /nfs/dbraw/zinc/88/97/51/571889751.db2.gz ZIRXRLWGAPXESI-UHFFFAOYSA-N 0 0 167.252 2.754 10 0 AFAERN CSCC[C@H](O)CCCC(F)F 687876814 571889853 /nfs/dbraw/zinc/88/98/53/571889853.db2.gz JQPICKYJGHGOKW-SSDOTTSWSA-N 0 0 198.278 2.536 10 0 AFAERN CC1=C(CO)C[C@@H](C(C)C)CC1 196381806 571889898 /nfs/dbraw/zinc/88/98/98/571889898.db2.gz IEQFTEHMKRYEOE-JTQLQIEISA-N 0 0 168.280 2.751 10 0 AFAERN C[C@H]1CC[C@]1(O)CCCC(F)F 687875854 571890625 /nfs/dbraw/zinc/89/06/25/571890625.db2.gz GMWJAZLAOXTWFU-IONNQARKSA-N 0 0 178.222 2.583 10 0 AFAERN CC1(C)C=CC=CC(C)(C)C1O 196383431 571890038 /nfs/dbraw/zinc/89/00/38/571890038.db2.gz LXBNCELVSRMLNK-UHFFFAOYSA-N 0 0 166.264 2.526 10 0 AFAERN CC(C)c1cccc2c1C(=O)CC2 39104732 571890044 /nfs/dbraw/zinc/89/00/44/571890044.db2.gz OLJLAXHVBJLHAV-UHFFFAOYSA-N 0 0 174.243 2.939 10 0 AFAERN C[C@H]1CCCC(=O)[C@@]12C=CC=CC2 39111339 571890053 /nfs/dbraw/zinc/89/00/53/571890053.db2.gz SVYSAEATJRXDOP-CMPLNLGQSA-N 0 0 176.259 2.878 10 0 AFAERN C[C@H]1CCCC(=O)[C@]12C=CC=CC2 39111337 571890085 /nfs/dbraw/zinc/89/00/85/571890085.db2.gz SVYSAEATJRXDOP-JQWIXIFHSA-N 0 0 176.259 2.878 10 0 AFAERN CCCC[C@@H](C)Nc1cc(C)cnn1 300050879 571890110 /nfs/dbraw/zinc/89/01/10/571890110.db2.gz QKDYJEDGAZNVGJ-SNVBAGLBSA-N 0 0 193.294 2.776 10 0 AFAERN CC(C)Cc1cc(C(C)C)n[nH]1 39104072 571890140 /nfs/dbraw/zinc/89/01/40/571890140.db2.gz KQFFKCSYKUXZQW-UHFFFAOYSA-N 0 0 166.268 2.732 10 0 AFAERN CC[C@H](C)C[C@H](O)[C@H](C)CSC 300760180 571890640 /nfs/dbraw/zinc/89/06/40/571890640.db2.gz LYJYZOUGCYXEMK-AEJSXWLSSA-N 0 0 190.352 2.783 10 0 AFAERN CC(C)[C@@H]1COC(C)(C)CS1 39104750 571890389 /nfs/dbraw/zinc/89/03/89/571890389.db2.gz VVICMTJZNDYITD-QMMMGPOBSA-N 0 0 174.309 2.553 10 0 AFAERN CC(C)[C@H]1C[C@]12CCCC(=O)C2 39104063 571890434 /nfs/dbraw/zinc/89/04/34/571890434.db2.gz QHSNMZVGDVIZTB-GHMZBOCLSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)[C@]12CCC[C@H]1C(=O)CC2 39104079 571890462 /nfs/dbraw/zinc/89/04/62/571890462.db2.gz JKPCDRLQLIIDCL-GXSJLCMTSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)[C@]12CCC[C@@H]1C(=O)CC2 39104077 571890501 /nfs/dbraw/zinc/89/05/01/571890501.db2.gz JKPCDRLQLIIDCL-MWLCHTKSSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@]12CCC[C@H]1CCCC2=O 196383471 571890478 /nfs/dbraw/zinc/89/04/78/571890478.db2.gz LEYGJAXNBDFGBW-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN CC1=CC(=C(C)C)CC/C1=N\O 39104027 571890345 /nfs/dbraw/zinc/89/03/45/571890345.db2.gz BYNMXPBDIXCKGT-ZHACJKMWSA-N 0 0 165.236 2.893 10 0 AFAERN COC[C@@H](C)[C@H](O)C1=CCCCCC1 234690362 571890533 /nfs/dbraw/zinc/89/05/33/571890533.db2.gz DCYNYWOFZIQPFH-PWSUYJOCSA-N 0 0 198.306 2.520 10 0 AFAERN CC(C)[C@@]1(O)C=Cc2ccccc21 39104790 571890534 /nfs/dbraw/zinc/89/05/34/571890534.db2.gz VMLDJOMJDZDTNM-LBPRGKRZSA-N 0 0 174.243 2.557 10 0 AFAERN CC(=O)CC/C=C\[Si](C)(C)C 212369149 571890535 /nfs/dbraw/zinc/89/05/35/571890535.db2.gz ADQYCLDSOXRMLK-VURMDHGXSA-N 0 0 170.328 2.789 10 0 AFAERN C[C@@H]1CC[C@]1(O)CCCC(F)F 687875855 571890558 /nfs/dbraw/zinc/89/05/58/571890558.db2.gz GMWJAZLAOXTWFU-VXNVDRBHSA-N 0 0 178.222 2.583 10 0 AFAERN CC1=CCC=C[C@@]1(CO)C(C)C 39104105 571890560 /nfs/dbraw/zinc/89/05/60/571890560.db2.gz ZJEIWQNXXWGAHB-LLVKDONJSA-N 0 0 166.264 2.527 10 0 AFAERN C[C@]12CCC[C@@H]1CCCC2=O 196383449 571890570 /nfs/dbraw/zinc/89/05/70/571890570.db2.gz LEYGJAXNBDFGBW-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@H](C)C[C@@H](O)[C@@H](C)CSC 300760188 571890573 /nfs/dbraw/zinc/89/05/73/571890573.db2.gz LYJYZOUGCYXEMK-LPEHRKFASA-N 0 0 190.352 2.783 10 0 AFAERN CC(C)[C@@]12CCC[C@@H]1C(=O)CC2 39104076 571890577 /nfs/dbraw/zinc/89/05/77/571890577.db2.gz JKPCDRLQLIIDCL-KOLCDFICSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)N1c2ccccc2C[C@@H]1C 39104880 571890581 /nfs/dbraw/zinc/89/05/81/571890581.db2.gz TZOCRWHEFLRIJB-JTQLQIEISA-N 0 0 175.275 2.846 10 0 AFAERN CC(C)[C@@]1(C)OC[C@H](C)CS1 39104764 571890611 /nfs/dbraw/zinc/89/06/11/571890611.db2.gz OZMQFKCKEVZXEF-IUCAKERBSA-N 0 0 174.309 2.758 10 0 AFAERN CC(C)C1=Nc2ccccc2OC1 39104852 571890659 /nfs/dbraw/zinc/89/06/59/571890659.db2.gz VSNQGYZURPRQMM-UHFFFAOYSA-N 0 0 175.231 2.808 10 0 AFAERN C[C@@H]1CCCC(=O)[C@]12C=CC=CC2 39111336 571890663 /nfs/dbraw/zinc/89/06/63/571890663.db2.gz SVYSAEATJRXDOP-PWSUYJOCSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1cccc(S[C@H](C)[C@@H](C)O)c1 87139946 571890674 /nfs/dbraw/zinc/89/06/74/571890674.db2.gz JTQUEOFNQWBLHM-NXEZZACHSA-N 0 0 196.315 2.856 10 0 AFAERN CC1=C(CO)C[C@H](C(C)C)CC1 196381791 571890696 /nfs/dbraw/zinc/89/06/96/571890696.db2.gz IEQFTEHMKRYEOE-SNVBAGLBSA-N 0 0 168.280 2.751 10 0 AFAERN c1cc2cc3c(cc2[nH]1)SCC3 39111428 571890737 /nfs/dbraw/zinc/89/07/37/571890737.db2.gz SKYBJFUITZLEBD-UHFFFAOYSA-N 0 0 175.256 2.816 10 0 AFAERN CCC[C@H](O)CCCCOC(C)C 70775046 571890867 /nfs/dbraw/zinc/89/08/67/571890867.db2.gz UCULJUZXCMKDKO-NSHDSACASA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)[C@@H]1C[C@@]12CCCC(=O)C2 39104060 571890907 /nfs/dbraw/zinc/89/09/07/571890907.db2.gz QHSNMZVGDVIZTB-QWRGUYRKSA-N 0 0 166.264 2.792 10 0 AFAERN Cn1c2ccccc2c2cc[nH]c21 196390599 571890926 /nfs/dbraw/zinc/89/09/26/571890926.db2.gz AVTQJBHPLOTNGX-UHFFFAOYSA-N 0 0 170.215 2.660 10 0 AFAERN CC(C)c1csc(=S)n1C 39104707 571890968 /nfs/dbraw/zinc/89/09/68/571890968.db2.gz SEUKCIYJJVMHRV-UHFFFAOYSA-N 0 0 173.306 2.939 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)C(=O)C21CC1 196389980 571891030 /nfs/dbraw/zinc/89/10/30/571891030.db2.gz SJEWCYVAPCTGKQ-LDYMZIIASA-N 0 0 178.275 2.792 10 0 AFAERN C[C@@H]1CC[C@@]1(O)CCCC(F)F 687875850 571891040 /nfs/dbraw/zinc/89/10/40/571891040.db2.gz GMWJAZLAOXTWFU-APPZFPTMSA-N 0 0 178.222 2.583 10 0 AFAERN CC1=CC[C@H](C(C)C)C[C@@]1(C)O 39104283 571891049 /nfs/dbraw/zinc/89/10/49/571891049.db2.gz ZLHWNKPHHBHGDH-WDEREUQCSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)=CC(=O)NCCC1=CCCC1 300759702 571891064 /nfs/dbraw/zinc/89/10/64/571891064.db2.gz IKPKVZDYVOUQQX-UHFFFAOYSA-N 0 0 193.290 2.569 10 0 AFAERN CC(C)(C)[C@H](O)CCCC(F)F 687876999 571891085 /nfs/dbraw/zinc/89/10/85/571891085.db2.gz LHIWCJMUYWOUQJ-SSDOTTSWSA-N 0 0 180.238 2.829 10 0 AFAERN CC/C=C\c1c(C)noc1C 39112836 571891312 /nfs/dbraw/zinc/89/13/12/571891312.db2.gz FUHLLRNVIQPUCY-WAYWQWQTSA-N 0 0 151.209 2.715 10 0 AFAERN CCCCCC(C)=O 100282895 571891424 /nfs/dbraw/zinc/89/14/24/571891424.db2.gz BMPQHCWCMWIDHD-SREVYHEPSA-N 0 0 114.188 2.638 10 0 AFAERN CC1=Nc2c(O)cccc2C1(C)C 39116271 571891447 /nfs/dbraw/zinc/89/14/47/571891447.db2.gz DAADCNFMPQKNLI-UHFFFAOYSA-N 0 0 175.231 2.776 10 0 AFAERN CCc1onc(C2CCC2)c1C 39113223 571891500 /nfs/dbraw/zinc/89/15/00/571891500.db2.gz CLWSKLKLDMNYJL-UHFFFAOYSA-N 0 0 165.236 2.813 10 0 AFAERN CCC(=O)c1cccc(C)c1OC 39116748 571891511 /nfs/dbraw/zinc/89/15/11/571891511.db2.gz LXYPQUNFLLASIF-UHFFFAOYSA-N 0 0 178.231 2.596 10 0 AFAERN Cc1cc(-c2cccs2)on1 39113211 571891516 /nfs/dbraw/zinc/89/15/16/571891516.db2.gz ZVNKKAJCEFLZPE-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN Cc1cc2c(o1)[C@H](C)CCC2=O 39116188 571891572 /nfs/dbraw/zinc/89/15/72/571891572.db2.gz JBSFEIKBWBTLRI-ZCFIWIBFSA-N 0 0 164.204 2.668 10 0 AFAERN CCC[C@@H](CO)CCCC(F)F 687877262 571891727 /nfs/dbraw/zinc/89/17/27/571891727.db2.gz LQQFNITVKCDHRP-MRVPVSSYSA-N 0 0 180.238 2.830 10 0 AFAERN CCCCN(CC)c1ccc(C=O)o1 31973668 571891732 /nfs/dbraw/zinc/89/17/32/571891732.db2.gz FZXZQBOZNRSCAJ-UHFFFAOYSA-N 0 0 195.262 2.719 10 0 AFAERN CC1=Cc2nc3ccccc3nc2C1 39114333 571891760 /nfs/dbraw/zinc/89/17/60/571891760.db2.gz CSGBEOXYGSTDRS-UHFFFAOYSA-N 0 0 182.226 2.589 10 0 AFAERN c1ccc2nc3c(nc2c1)C1CC3C1 39114349 571891813 /nfs/dbraw/zinc/89/18/13/571891813.db2.gz NNPGWGQAGZUAPL-UHFFFAOYSA-N 0 0 182.226 2.604 10 0 AFAERN CC[C@@H]1CCNc2cc(N)ccc21 39116669 571891831 /nfs/dbraw/zinc/89/18/31/571891831.db2.gz ZXVOEKDIKOZSJE-MRVPVSSYSA-N 0 0 176.263 2.578 10 0 AFAERN COCc1c(C)c(C)c(O)c(C)c1C 196392649 571891858 /nfs/dbraw/zinc/89/18/58/571891858.db2.gz QJAOBNXKFRGDBD-UHFFFAOYSA-N 0 0 194.274 2.772 10 0 AFAERN Cc1cc(N(C)C)cc(C)c1N=O 139146710 571892057 /nfs/dbraw/zinc/89/20/57/571892057.db2.gz IFRFIERVIZOCPS-UHFFFAOYSA-N 0 0 178.235 2.767 10 0 AFAERN Fc1cccc(SC(F)F)n1 39116792 571892074 /nfs/dbraw/zinc/89/20/74/571892074.db2.gz HSUDJOINHBJKOJ-UHFFFAOYSA-N 0 0 179.166 2.535 10 0 AFAERN CC(C)(C)[C@@H](O)CCCC(F)F 687877156 571892145 /nfs/dbraw/zinc/89/21/45/571892145.db2.gz LHIWCJMUYWOUQJ-ZETCQYMHSA-N 0 0 180.238 2.829 10 0 AFAERN CC(C)[C@H](CO)CCCC(F)F 687877166 571892227 /nfs/dbraw/zinc/89/22/27/571892227.db2.gz LJEZZHGUPXIHHC-QMMMGPOBSA-N 0 0 180.238 2.686 10 0 AFAERN CCC(=O)CC[Si](C)(C)C 196394182 571892229 /nfs/dbraw/zinc/89/22/29/571892229.db2.gz PFJJOCOENQIHCN-UHFFFAOYSA-N 0 0 158.317 2.694 10 0 AFAERN C[C@H]1CC(C)(C)Nc2cc(N)ccc21 39117205 571896280 /nfs/dbraw/zinc/89/62/80/571896280.db2.gz WGOKUZDQNGNKLX-QMMMGPOBSA-N 0 0 190.290 2.967 10 0 AFAERN CC(C)(C)[C@H]1CCCC=C1CO 39116348 571892670 /nfs/dbraw/zinc/89/26/70/571892670.db2.gz TWLJAGBCSZQAIW-JTQLQIEISA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)c1noc(C(C)C)c1N 39113290 571892724 /nfs/dbraw/zinc/89/27/24/571892724.db2.gz HPEHRWPQJJSKAA-UHFFFAOYSA-N 0 0 168.240 2.504 10 0 AFAERN CCC(=O)[C@H](C)C[Si](C)(C)C 196394204 571892732 /nfs/dbraw/zinc/89/27/32/571892732.db2.gz DIYWVJAZFDLKNK-MRVPVSSYSA-N 0 0 172.344 2.940 10 0 AFAERN C[C@H](CC(F)F)C[C@](C)(O)C1CC1 687878447 571896208 /nfs/dbraw/zinc/89/62/08/571896208.db2.gz QEEVUHVNHJIDHN-XCBNKYQSSA-N 0 0 192.249 2.829 10 0 AFAERN CCCc1c(C)cccc1NC 139146549 571892907 /nfs/dbraw/zinc/89/29/07/571892907.db2.gz CHPMZHNGVXTVFX-UHFFFAOYSA-N 0 0 163.264 2.989 10 0 AFAERN Cc1cccc(-c2ccno2)c1 39113040 571892997 /nfs/dbraw/zinc/89/29/97/571892997.db2.gz NSVPDKKWSHIUQN-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Clc1ccc(-c2cc[nH]c2)cn1 39116786 571893012 /nfs/dbraw/zinc/89/30/12/571893012.db2.gz FMIXSYNMYFUHSO-UHFFFAOYSA-N 0 0 178.622 2.730 10 0 AFAERN CCC(=O)[C@@H](C)C[Si](C)(C)C 196394194 571893044 /nfs/dbraw/zinc/89/30/44/571893044.db2.gz DIYWVJAZFDLKNK-QMMMGPOBSA-N 0 0 172.344 2.940 10 0 AFAERN CC[C@H](C)CCc1cnoc1 39112905 571893089 /nfs/dbraw/zinc/89/30/89/571893089.db2.gz KWFMVEFHQOAXIO-QMMMGPOBSA-N 0 0 153.225 2.653 10 0 AFAERN Fc1cccc(-n2cccc2)c1F 39116794 571893117 /nfs/dbraw/zinc/89/31/17/571893117.db2.gz BVZJJASLXCRPHD-UHFFFAOYSA-N 0 0 179.169 2.756 10 0 AFAERN CC[C@H](C)CCc1ccno1 39112904 571893137 /nfs/dbraw/zinc/89/31/37/571893137.db2.gz VRWSDZNBZBPUTE-QMMMGPOBSA-N 0 0 153.225 2.653 10 0 AFAERN CC[C@@](C)(O)C[C@@H](C)CC(F)F 687877939 571893153 /nfs/dbraw/zinc/89/31/53/571893153.db2.gz OEAFWKIHMIKHDC-IONNQARKSA-N 0 0 180.238 2.829 10 0 AFAERN CC/C=C/C[C@H]1C(=O)CC[C@@H]1C 39116255 571893245 /nfs/dbraw/zinc/89/32/45/571893245.db2.gz QQLJHNUFLMPPGC-OCIBVNFRSA-N 0 0 166.264 2.958 10 0 AFAERN CC1(C)Cc2ccsc2C=N1 39116217 571893302 /nfs/dbraw/zinc/89/33/02/571893302.db2.gz CJDXRYSYRBGJMS-UHFFFAOYSA-N 0 0 165.261 2.502 10 0 AFAERN CC(C)[C@@H](CO)CCCC(F)F 687877165 571893343 /nfs/dbraw/zinc/89/33/43/571893343.db2.gz LJEZZHGUPXIHHC-MRVPVSSYSA-N 0 0 180.238 2.686 10 0 AFAERN CC(C)(C)[C@@H]1CCCC=C1CO 39116346 571893536 /nfs/dbraw/zinc/89/35/36/571893536.db2.gz TWLJAGBCSZQAIW-SNVBAGLBSA-N 0 0 168.280 2.751 10 0 AFAERN CCC[C@H](CO)CCCC(F)F 687877277 571893522 /nfs/dbraw/zinc/89/35/22/571893522.db2.gz LQQFNITVKCDHRP-QMMMGPOBSA-N 0 0 180.238 2.830 10 0 AFAERN CC[C@H]1CCNc2cc(N)ccc21 39116671 571893627 /nfs/dbraw/zinc/89/36/27/571893627.db2.gz ZXVOEKDIKOZSJE-QMMMGPOBSA-N 0 0 176.263 2.578 10 0 AFAERN Cc1nc2ccsc2n2cccc12 39115347 571893641 /nfs/dbraw/zinc/89/36/41/571893641.db2.gz SKRKFIJKLIRGCI-UHFFFAOYSA-N 0 0 188.255 2.857 10 0 AFAERN Cc1cc2c(o1)[C@@H](C)CCC2=O 39116190 571893700 /nfs/dbraw/zinc/89/37/00/571893700.db2.gz JBSFEIKBWBTLRI-LURJTMIESA-N 0 0 164.204 2.668 10 0 AFAERN COC[C@@H](C)C[C@@H](O)C1=CCCCC1 234690690 571893722 /nfs/dbraw/zinc/89/37/22/571893722.db2.gz NNPPIPPCFRXHCG-CMPLNLGQSA-N 0 0 198.306 2.520 10 0 AFAERN CC[C@](C)(O)C[C@@H](C)CC(F)F 687877937 571893725 /nfs/dbraw/zinc/89/37/25/571893725.db2.gz OEAFWKIHMIKHDC-CBAPKCEASA-N 0 0 180.238 2.829 10 0 AFAERN CC[C@@](C)(O)C[C@H](C)CC(F)F 687877943 571893884 /nfs/dbraw/zinc/89/38/84/571893884.db2.gz OEAFWKIHMIKHDC-VXNVDRBHSA-N 0 0 180.238 2.829 10 0 AFAERN CC(=O)Nc1ccc2cccc-2cc1 39116955 571894128 /nfs/dbraw/zinc/89/41/28/571894128.db2.gz TUQBSDLSNBDKAS-UHFFFAOYSA-N 0 0 185.226 2.750 10 0 AFAERN C[C@@H]1CC(C)(C)Nc2cc(N)ccc21 39117204 571894313 /nfs/dbraw/zinc/89/43/13/571894313.db2.gz WGOKUZDQNGNKLX-MRVPVSSYSA-N 0 0 190.290 2.967 10 0 AFAERN CC[C@H]1OCC[C@@H](c2ccccc2)O1 39120283 571894332 /nfs/dbraw/zinc/89/43/32/571894332.db2.gz BWMHXTRXHSOMIB-RYUDHWBXSA-N 0 0 192.258 2.901 10 0 AFAERN COCC1(CC(=O)CCC2CC2)CC1 401244340 571894364 /nfs/dbraw/zinc/89/43/64/571894364.db2.gz CQQYTOINQKPBJJ-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN COC[C@@H](C)C[C@H](O)C1=CCCCC1 234694442 571894407 /nfs/dbraw/zinc/89/44/07/571894407.db2.gz NNPPIPPCFRXHCG-JQWIXIFHSA-N 0 0 198.306 2.520 10 0 AFAERN Cc1nc(-c2ccsc2)[nH]c1C 39133191 571899493 /nfs/dbraw/zinc/89/94/93/571899493.db2.gz UCTUROQMKONXRO-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN C/C=C/C=C/[C@@H]1CCCC[C@H]1CO 39116839 571894545 /nfs/dbraw/zinc/89/45/45/571894545.db2.gz CFFOWUSCZCJTFY-WBHAHZTNSA-N 0 0 180.291 2.917 10 0 AFAERN CCCCC[C@@H]1C[C@@H]1OC(C)=O 39089686 571894565 /nfs/dbraw/zinc/89/45/65/571894565.db2.gz WJWZCPNJTIUQLP-ZJUUUORDSA-N 0 0 170.252 2.518 10 0 AFAERN Cc1cccc(C2=NC(C)(C)CO2)c1 39117160 571894582 /nfs/dbraw/zinc/89/45/82/571894582.db2.gz FIBJUBYRVGDJIB-UHFFFAOYSA-N 0 0 189.258 2.550 10 0 AFAERN CC[C@@H]1OCC[C@@H](c2ccccc2)O1 39120281 571894622 /nfs/dbraw/zinc/89/46/22/571894622.db2.gz BWMHXTRXHSOMIB-NWDGAFQWSA-N 0 0 192.258 2.901 10 0 AFAERN CO[C@H](C)CC(=O)CCC1CCCC1 300765010 571899510 /nfs/dbraw/zinc/89/95/10/571899510.db2.gz ONNWCAGSCZJZCX-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN O=C1CCCC[C@H]1C=C(F)F 196395744 571894711 /nfs/dbraw/zinc/89/47/11/571894711.db2.gz ZZMFPQGLKIBGEB-LURJTMIESA-N 0 0 160.163 2.526 10 0 AFAERN CC[C@](C)(O)C[C@H](C)CC(F)F 687877934 571894748 /nfs/dbraw/zinc/89/47/48/571894748.db2.gz OEAFWKIHMIKHDC-APPZFPTMSA-N 0 0 180.238 2.829 10 0 AFAERN COC[C@H](C)[C@@H](O)C1=CCCCCC1 234694402 571894780 /nfs/dbraw/zinc/89/47/80/571894780.db2.gz DCYNYWOFZIQPFH-CMPLNLGQSA-N 0 0 198.306 2.520 10 0 AFAERN CC=C1COC(c2ccccc2)OC1 39120246 571894806 /nfs/dbraw/zinc/89/48/06/571894806.db2.gz XHEZEYHZNPBFBX-UHFFFAOYSA-N 0 0 190.242 2.678 10 0 AFAERN CC(C)(C)CCC[C@H]([NH3+])C(F)F 300761190 571894822 /nfs/dbraw/zinc/89/48/22/571894822.db2.gz MKELWDSFYRMVAM-ZETCQYMHSA-N 0 0 179.254 2.795 10 0 AFAERN COCCC(=O)CCC1CCCCC1 300760914 571895218 /nfs/dbraw/zinc/89/52/18/571895218.db2.gz NQJAALGZXUQYIT-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN C[C@H](CC(F)F)CC1(O)CCCC1 687878401 571895312 /nfs/dbraw/zinc/89/53/12/571895312.db2.gz PIPALBYKRDMFQE-MRVPVSSYSA-N 0 0 192.249 2.973 10 0 AFAERN C=Cc1ccc2c(c1)COC(C)(C)O2 39119998 571895669 /nfs/dbraw/zinc/89/56/69/571895669.db2.gz LIUOAPFUDMYYMC-UHFFFAOYSA-N 0 0 190.242 2.975 10 0 AFAERN Cc1cnc2ccsc2c1 39123468 571895708 /nfs/dbraw/zinc/89/57/08/571895708.db2.gz PQEMTYSNJINCQF-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN COc1cccc(COC(C)C)c1 39090015 571895742 /nfs/dbraw/zinc/89/57/42/571895742.db2.gz DUXXMMBVXTVISE-UHFFFAOYSA-N 0 0 180.247 2.620 10 0 AFAERN C[C@@H](CC(F)F)CC1(O)CCCC1 687878402 571895743 /nfs/dbraw/zinc/89/57/43/571895743.db2.gz PIPALBYKRDMFQE-QMMMGPOBSA-N 0 0 192.249 2.973 10 0 AFAERN Cc1[nH]c(Br)c(C)c1C 196397203 571895756 /nfs/dbraw/zinc/89/57/56/571895756.db2.gz HSBYUUWERFAKDO-UHFFFAOYSA-N 0 0 188.068 2.702 10 0 AFAERN CCCCCCC(=S)N(C)C 39124695 571895764 /nfs/dbraw/zinc/89/57/64/571895764.db2.gz USGNAPYYFGUDAY-UHFFFAOYSA-N 0 0 173.325 2.846 10 0 AFAERN COc1cccc2c(C)nccc12 196396588 571895859 /nfs/dbraw/zinc/89/58/59/571895859.db2.gz AEMWYMNWYXZDHH-UHFFFAOYSA-N 0 0 173.215 2.552 10 0 AFAERN CCCc1cccc(OCOC)c1 39090088 571895896 /nfs/dbraw/zinc/89/58/96/571895896.db2.gz YHASSLCYQJSLKH-UHFFFAOYSA-N 0 0 180.247 2.622 10 0 AFAERN CC[C@H]1OCC[C@H](c2ccccc2)O1 39120279 571895990 /nfs/dbraw/zinc/89/59/90/571895990.db2.gz BWMHXTRXHSOMIB-NEPJUHHUSA-N 0 0 192.258 2.901 10 0 AFAERN CCCC[C@@H](O)CCCC(F)F 687878539 571895994 /nfs/dbraw/zinc/89/59/94/571895994.db2.gz QQTHSTDNXWFLLP-MRVPVSSYSA-N 0 0 180.238 2.973 10 0 AFAERN O=C1CCCC[C@@H]1C=C(F)F 196395751 571895997 /nfs/dbraw/zinc/89/59/97/571895997.db2.gz ZZMFPQGLKIBGEB-ZCFIWIBFSA-N 0 0 160.163 2.526 10 0 AFAERN CC(C)(C)CCC[C@@H]([NH3+])C(F)F 300761188 571896000 /nfs/dbraw/zinc/89/60/00/571896000.db2.gz MKELWDSFYRMVAM-SSDOTTSWSA-N 0 0 179.254 2.795 10 0 AFAERN Cc1cc([C@H](O)CCC2CC2)ccn1 300062465 571896115 /nfs/dbraw/zinc/89/61/15/571896115.db2.gz WHNMJPNMFYVAIR-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CC(C)(C)c1ccc(Cl)[nH]1 196397222 571896144 /nfs/dbraw/zinc/89/61/44/571896144.db2.gz HXIKIYMMTAGYOA-UHFFFAOYSA-N 0 0 157.644 2.966 10 0 AFAERN CCC[C@@H](C)[C@H](NN)C1=CCCCC1 300063132 571896217 /nfs/dbraw/zinc/89/62/17/571896217.db2.gz RFYLYJZMHSVZAL-PWSUYJOCSA-N 0 0 196.338 2.755 10 0 AFAERN C[C@H]1Oc2ccccc2C(C)(C)O1 39120092 571896230 /nfs/dbraw/zinc/89/62/30/571896230.db2.gz NYCOMYBQSMLEIP-QMMMGPOBSA-N 0 0 178.231 2.677 10 0 AFAERN CCCCC(=S)N1CCCC1 39124585 571896451 /nfs/dbraw/zinc/89/64/51/571896451.db2.gz CPJZMTOJTCOTLE-UHFFFAOYSA-N 0 0 171.309 2.600 10 0 AFAERN CC[C@H](C[C@@H]1CC[C@H](C)O1)C(C)=O 300070479 571896507 /nfs/dbraw/zinc/89/65/07/571896507.db2.gz HUCUHJBPEUVWPG-GDPRMGEGSA-N 0 0 184.279 2.559 10 0 AFAERN CC1(Oc2ccccc2)CSC1 39090073 571896583 /nfs/dbraw/zinc/89/65/83/571896583.db2.gz WBYOQEXWUUZITB-UHFFFAOYSA-N 0 0 180.272 2.571 10 0 AFAERN CC(C)CCOc1cccc(O)c1 32007449 571896619 /nfs/dbraw/zinc/89/66/19/571896619.db2.gz DHZHKXHJUIRCCF-UHFFFAOYSA-N 0 0 180.247 2.817 10 0 AFAERN COC1(CC(=O)C2CCCC2)CCC1 234697088 571896637 /nfs/dbraw/zinc/89/66/37/571896637.db2.gz XTFQHWVHRXYQIT-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN O[C@@]1(CCCC(F)F)C=CCCC1 687879092 571896650 /nfs/dbraw/zinc/89/66/50/571896650.db2.gz RRJFRCDTKCFYMJ-JTQLQIEISA-N 0 0 190.233 2.893 10 0 AFAERN COCC[C@H](O)C1=CCCCCCC1 234697863 571896656 /nfs/dbraw/zinc/89/66/56/571896656.db2.gz OPMPHZPYFJYGON-LBPRGKRZSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@@H](CC(F)F)C[C@](C)(O)C1CC1 687878450 571896769 /nfs/dbraw/zinc/89/67/69/571896769.db2.gz QEEVUHVNHJIDHN-XVKPBYJWSA-N 0 0 192.249 2.829 10 0 AFAERN CCCC(=O)O[C@@H]1CCC[C@@H]1C 39111874 571897038 /nfs/dbraw/zinc/89/70/38/571897038.db2.gz QVOMPQNXNSNAGE-DTWKUNHWSA-N 0 0 170.252 2.518 10 0 AFAERN c1cc2cc3ncoc3cc2o1 39128759 571897063 /nfs/dbraw/zinc/89/70/63/571897063.db2.gz LRTUEBNHHAPJBS-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN c1nc2cc3cocc3cc2o1 39128745 571897070 /nfs/dbraw/zinc/89/70/70/571897070.db2.gz OAOZEGIAHWTUOM-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN CC(C)C[C@@H](O)CCCC(F)F 687878704 571897074 /nfs/dbraw/zinc/89/70/74/571897074.db2.gz RGSZGGFRPIDSIK-QMMMGPOBSA-N 0 0 180.238 2.829 10 0 AFAERN O[C@]1(CCCC(F)F)C=CCCC1 687879093 571897079 /nfs/dbraw/zinc/89/70/79/571897079.db2.gz RRJFRCDTKCFYMJ-SNVBAGLBSA-N 0 0 190.233 2.893 10 0 AFAERN CC[C@@]1(F)Cc2ccccc2C1=O 39128270 571897140 /nfs/dbraw/zinc/89/71/40/571897140.db2.gz RBLUBDKHUUKZMC-LLVKDONJSA-N 0 0 178.206 2.544 10 0 AFAERN c1cc2c(ccc3ncoc32)o1 39128748 571897173 /nfs/dbraw/zinc/89/71/73/571897173.db2.gz ZZYJNUAUZDNLRL-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN CCCCC(=O)C(C)(C)Cl 39128140 571897203 /nfs/dbraw/zinc/89/72/03/571897203.db2.gz SPXQAXQEMGHMFW-UHFFFAOYSA-N 0 0 162.660 2.763 10 0 AFAERN CC[C@]1(F)Cc2ccccc2C1=O 39128267 571897321 /nfs/dbraw/zinc/89/73/21/571897321.db2.gz RBLUBDKHUUKZMC-NSHDSACASA-N 0 0 178.206 2.544 10 0 AFAERN CCC[C@H]1C[C@@](C)(Cl)CCO1 196399730 571897350 /nfs/dbraw/zinc/89/73/50/571897350.db2.gz QTUOWQSIXDQCDP-IUCAKERBSA-N 0 0 176.687 2.963 10 0 AFAERN COC1(CC(=O)CC2CCC2)CCC1 234697459 571897352 /nfs/dbraw/zinc/89/73/52/571897352.db2.gz NKKXPJIKFUSCIZ-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)[C@@H]1C[C@@](C)(Cl)CCO1 196399791 571897421 /nfs/dbraw/zinc/89/74/21/571897421.db2.gz JXPIKZZNCXMZTL-IUCAKERBSA-N 0 0 176.687 2.819 10 0 AFAERN CC[C@@](C)(O)C(=O)C1CCC(C)CC1 233957585 571897499 /nfs/dbraw/zinc/89/74/99/571897499.db2.gz BMVHKVMTQPVPPX-RTYFJBAXSA-N 0 0 198.306 2.543 10 0 AFAERN CCC[C@@H]1C[C@](C)(Cl)CCO1 196399735 571897564 /nfs/dbraw/zinc/89/75/64/571897564.db2.gz QTUOWQSIXDQCDP-RKDXNWHRSA-N 0 0 176.687 2.963 10 0 AFAERN CCC[C@H]1C[C@](C)(Cl)CCO1 196399743 571897584 /nfs/dbraw/zinc/89/75/84/571897584.db2.gz QTUOWQSIXDQCDP-DTWKUNHWSA-N 0 0 176.687 2.963 10 0 AFAERN CC(C)[C@@H]1CN1c1ccccc1 39103779 571897684 /nfs/dbraw/zinc/89/76/84/571897684.db2.gz VFOHDFQPEPEWKE-PXYINDEMSA-N 0 0 161.248 2.531 10 0 AFAERN CCC(=O)CCOc1cccc(C)c1 32008558 571897734 /nfs/dbraw/zinc/89/77/34/571897734.db2.gz HBJUFARFGNZCJK-UHFFFAOYSA-N 0 0 192.258 2.743 10 0 AFAERN C[C@H](CC(F)F)C[C@@](C)(O)C1CC1 687878444 571897857 /nfs/dbraw/zinc/89/78/57/571897857.db2.gz QEEVUHVNHJIDHN-GMSGAONNSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)CCC(=O)c1ccc(N)cc1 32008475 571897870 /nfs/dbraw/zinc/89/78/70/571897870.db2.gz VMFWOQAJMXRKIA-UHFFFAOYSA-N 0 0 191.274 2.888 10 0 AFAERN CC(C)[C@@H]1OCc2ccccc21 39103816 571897925 /nfs/dbraw/zinc/89/79/25/571897925.db2.gz PTMMUIIYWDXDHI-NSHDSACASA-N 0 0 162.232 2.914 10 0 AFAERN CC(C)C[C@H](O)CCCC(F)F 687878699 571897972 /nfs/dbraw/zinc/89/79/72/571897972.db2.gz RGSZGGFRPIDSIK-MRVPVSSYSA-N 0 0 180.238 2.829 10 0 AFAERN CC[C@]1(Cl)CC(C)(C)CC1=O 39128064 571897973 /nfs/dbraw/zinc/89/79/73/571897973.db2.gz UCZQGVZELIAPGQ-VIFPVBQESA-N 0 0 174.671 2.763 10 0 AFAERN CCC[C@@H]1C[C@@](C)(Cl)CCO1 196399723 571898022 /nfs/dbraw/zinc/89/80/22/571898022.db2.gz QTUOWQSIXDQCDP-BDAKNGLRSA-N 0 0 176.687 2.963 10 0 AFAERN CCCC[C@H](O)c1ccnc(C)c1 300062491 571898049 /nfs/dbraw/zinc/89/80/49/571898049.db2.gz WPLABVWCAOVRES-NSHDSACASA-N 0 0 179.263 2.614 10 0 AFAERN c1cc2cc3ocnc3cc2o1 39128762 571898079 /nfs/dbraw/zinc/89/80/79/571898079.db2.gz JOQBMYSWQKYBBH-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN CC(C)[C@H]1C[C@@](C)(Cl)CCO1 196399801 571898148 /nfs/dbraw/zinc/89/81/48/571898148.db2.gz JXPIKZZNCXMZTL-BDAKNGLRSA-N 0 0 176.687 2.819 10 0 AFAERN CN(C(=O)OC(C)(C)C)c1ccco1 39126694 571898164 /nfs/dbraw/zinc/89/81/64/571898164.db2.gz WUUTYYPNWJAIRK-UHFFFAOYSA-N 0 0 197.234 2.651 10 0 AFAERN CC(C)[C@H]1C[C@](C)(Cl)CCO1 196399816 571898244 /nfs/dbraw/zinc/89/82/44/571898244.db2.gz JXPIKZZNCXMZTL-RKDXNWHRSA-N 0 0 176.687 2.819 10 0 AFAERN CCCC(=O)O[C@H]1CCC[C@H]1C 39111877 571898277 /nfs/dbraw/zinc/89/82/77/571898277.db2.gz QVOMPQNXNSNAGE-BDAKNGLRSA-N 0 0 170.252 2.518 10 0 AFAERN C[C@@H](CC(F)F)C[C@@](C)(O)C1CC1 687878446 571898279 /nfs/dbraw/zinc/89/82/79/571898279.db2.gz QEEVUHVNHJIDHN-OIBJUYFYSA-N 0 0 192.249 2.829 10 0 AFAERN CCCCOc1cc(N)ccc1C 32007317 571898302 /nfs/dbraw/zinc/89/83/02/571898302.db2.gz AAEVMKKTMHTITR-UHFFFAOYSA-N 0 0 179.263 2.756 10 0 AFAERN COC1(CC(=O)CCC2CC2)CCC1 234697736 571898351 /nfs/dbraw/zinc/89/83/51/571898351.db2.gz LHCGZNDXUHLWFY-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN CCCC[C@H](O)CCCC(F)F 687878541 571898382 /nfs/dbraw/zinc/89/83/82/571898382.db2.gz QQTHSTDNXWFLLP-QMMMGPOBSA-N 0 0 180.238 2.973 10 0 AFAERN CC[C@@](C)(O)C(=O)C1CCCCCC1 233957606 571898728 /nfs/dbraw/zinc/89/87/28/571898728.db2.gz FTVAJDIAOSXHDP-GFCCVEGCSA-N 0 0 198.306 2.687 10 0 AFAERN Br/C=C1\C=C[C@H]2[C@H]3[C@@H](C1)[C@@H]23 687727323 571898763 /nfs/dbraw/zinc/89/87/63/571898763.db2.gz UPXRZDMKZIUXLH-OOTXMXLLSA-N 0 0 197.075 2.717 10 0 AFAERN CC[C@@]1(Cl)CC(C)(C)CC1=O 39128067 571898795 /nfs/dbraw/zinc/89/87/95/571898795.db2.gz UCZQGVZELIAPGQ-SECBINFHSA-N 0 0 174.671 2.763 10 0 AFAERN CCCCC(=O)c1ccc(N)c(C)c1 32008479 571898816 /nfs/dbraw/zinc/89/88/16/571898816.db2.gz XIHQDOUNAPQZCD-UHFFFAOYSA-N 0 0 191.274 2.950 10 0 AFAERN CC(C)CC(=O)[C@H](F)C(C)C 39125475 571898846 /nfs/dbraw/zinc/89/88/46/571898846.db2.gz ALBJFLPXPCHZHE-SECBINFHSA-N 0 0 160.232 2.596 10 0 AFAERN OC1(CCCC(F)F)CCCC1 687879112 571898869 /nfs/dbraw/zinc/89/88/69/571898869.db2.gz RYPTUISDRNUDJP-UHFFFAOYSA-N 0 0 178.222 2.727 10 0 AFAERN c1cc2ccc3ncoc3c2o1 39128758 571898885 /nfs/dbraw/zinc/89/88/85/571898885.db2.gz UATAEFFLDHCSJF-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN CCCC(=O)O[C@@H]1CCC[C@H]1C 39111876 571898897 /nfs/dbraw/zinc/89/88/97/571898897.db2.gz QVOMPQNXNSNAGE-RKDXNWHRSA-N 0 0 170.252 2.518 10 0 AFAERN CC(C)[C@H]1OCc2ccccc21 39103815 571898899 /nfs/dbraw/zinc/89/88/99/571898899.db2.gz PTMMUIIYWDXDHI-LLVKDONJSA-N 0 0 162.232 2.914 10 0 AFAERN C[C@H]1C=C[C@H](Cc2c[nH]cn2)CC1 39133268 571898969 /nfs/dbraw/zinc/89/89/69/571898969.db2.gz OQWXUUQQPRNKMB-UWVGGRQHSA-N 0 0 176.263 2.555 10 0 AFAERN CC(C)(C)[Si](C)(C)/C=C/CCO 217652585 571899056 /nfs/dbraw/zinc/89/90/56/571899056.db2.gz FEVGFGFBWKJWTB-VQHVLOKHSA-N 0 0 186.371 2.973 10 0 AFAERN CC1=C[C@@H](Cc2c[nH]cn2)CCC1 39133282 571899068 /nfs/dbraw/zinc/89/90/68/571899068.db2.gz BAQHMGKQTJNVFK-JTQLQIEISA-N 0 0 176.263 2.699 10 0 AFAERN CCCCSc1nc(C)c[nH]1 39133327 571899129 /nfs/dbraw/zinc/89/91/29/571899129.db2.gz SKDHMCBXHRSVFI-UHFFFAOYSA-N 0 0 170.281 2.610 10 0 AFAERN C[C@@H]1CCC[C@]1(O)CCCC(F)F 687880082 571899136 /nfs/dbraw/zinc/89/91/36/571899136.db2.gz WLPDFWGGFUPMSV-SCZZXKLOSA-N 0 0 192.249 2.973 10 0 AFAERN CCCN(c1ccnc(F)c1)C(C)C 227640212 571899139 /nfs/dbraw/zinc/89/91/39/571899139.db2.gz BBHIFKPTEHLPTR-UHFFFAOYSA-N 0 0 196.269 2.846 10 0 AFAERN C[C@@H]1C=C[C@H](Cc2c[nH]cn2)CC1 39133269 571899150 /nfs/dbraw/zinc/89/91/50/571899150.db2.gz OQWXUUQQPRNKMB-ZJUUUORDSA-N 0 0 176.263 2.555 10 0 AFAERN c1nc([C@@H]2CCC3=C2CCC3)c[nH]1 39132980 571899190 /nfs/dbraw/zinc/89/91/90/571899190.db2.gz GMOJQIPXFOCGMR-SNVBAGLBSA-N 0 0 174.247 2.768 10 0 AFAERN CC(C)(C)CCC[C@H](O)C(F)F 300764602 571899231 /nfs/dbraw/zinc/89/92/31/571899231.db2.gz OAHXDFQXJRUTFJ-ZETCQYMHSA-N 0 0 180.238 2.829 10 0 AFAERN c1ccc2c(c1)ccc1nocc12 39133572 571899247 /nfs/dbraw/zinc/89/92/47/571899247.db2.gz QJOFPHDURCNXSG-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN CC[C@](C)(CO)CCCC(F)F 687879241 571899595 /nfs/dbraw/zinc/89/95/95/571899595.db2.gz TYRZFGQRWOZOQV-VIFPVBQESA-N 0 0 180.238 2.830 10 0 AFAERN C[C@H]1CCC[C@]1(O)CCCC(F)F 687880084 571899653 /nfs/dbraw/zinc/89/96/53/571899653.db2.gz WLPDFWGGFUPMSV-WPRPVWTQSA-N 0 0 192.249 2.973 10 0 AFAERN CCOC(=O)/C=C/C=C1/CC[C@H](C)C1 300765031 571899664 /nfs/dbraw/zinc/89/96/64/571899664.db2.gz ONONUAIYOOMDDY-ATYLNVJASA-N 0 0 194.274 2.852 10 0 AFAERN C[C@H](c1ccccc1)c1ncc[nH]1 39132550 571899701 /nfs/dbraw/zinc/89/97/01/571899701.db2.gz UVGQZKHVWWVSGS-SECBINFHSA-N 0 0 172.231 2.562 10 0 AFAERN Cc1ccc(-c2nc(C)c(C)[nH]2)o1 39133192 571899713 /nfs/dbraw/zinc/89/97/13/571899713.db2.gz JXQHZBZOPICJPZ-UHFFFAOYSA-N 0 0 176.219 2.595 10 0 AFAERN CO[C@@H]1C[C@H]1C(=O)C[C@@H](C)C(C)(C)C 711128655 571899859 /nfs/dbraw/zinc/89/98/59/571899859.db2.gz LVRNBUCEXZMABH-WCABBAIRSA-N 0 0 198.306 2.663 10 0 AFAERN C[C@H](CC(F)F)C[C@@]1(O)CC[C@@H]1C 687879589 571899878 /nfs/dbraw/zinc/89/98/78/571899878.db2.gz UZWUEJXNSSDZOC-WEDXCCLWSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@H]1C=C[C@@H](Cc2c[nH]cn2)CC1 39133266 571899882 /nfs/dbraw/zinc/89/98/82/571899882.db2.gz OQWXUUQQPRNKMB-VHSXEESVSA-N 0 0 176.263 2.555 10 0 AFAERN C=Cc1ccc(-c2c[nH]cn2)cc1 39132663 571900008 /nfs/dbraw/zinc/90/00/08/571900008.db2.gz VJLJIRPIFNTYDO-UHFFFAOYSA-N 0 0 170.215 2.720 10 0 AFAERN C[C@@](O)(Cc1ccsc1)CC1CC1 229750779 571900292 /nfs/dbraw/zinc/90/02/92/571900292.db2.gz OTAFFUJABSROEO-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CC(C)N1[C@H](C)[C@H]1c1ccccc1 39104856 571900384 /nfs/dbraw/zinc/90/03/84/571900384.db2.gz NAVCMYOUFSTBGP-FVBASEICSA-N 0 0 175.275 2.840 10 0 AFAERN CO[C@@H](C)CC(=O)CCC1CCCC1 300765007 571900403 /nfs/dbraw/zinc/90/04/03/571900403.db2.gz ONNWCAGSCZJZCX-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)N1[C@@H](c2ccccc2)[C@H]1C 39104857 571900427 /nfs/dbraw/zinc/90/04/27/571900427.db2.gz NAVCMYOUFSTBGP-HLVWMGJTSA-N 0 0 175.275 2.840 10 0 AFAERN CC1=CC=C(C(C)C)C[C@H]1CO 39104143 571900466 /nfs/dbraw/zinc/90/04/66/571900466.db2.gz LLAXQEAWQLIVBX-NSHDSACASA-N 0 0 166.264 2.527 10 0 AFAERN C[C@@H]1C=C[C@@H](Cc2c[nH]cn2)CC1 39133267 571900467 /nfs/dbraw/zinc/90/04/67/571900467.db2.gz OQWXUUQQPRNKMB-NXEZZACHSA-N 0 0 176.263 2.555 10 0 AFAERN CC(C)[C@@]1(C)N[C@H]1c1ccccc1 39104855 571900548 /nfs/dbraw/zinc/90/05/48/571900548.db2.gz HPMFXAKGFRIUSS-NWDGAFQWSA-N 0 0 175.275 2.746 10 0 AFAERN CC(C)N1[C@@H](C)[C@H]1c1ccccc1 39104803 571900702 /nfs/dbraw/zinc/90/07/02/571900702.db2.gz NAVCMYOUFSTBGP-QDYONFDCSA-N 0 0 175.275 2.840 10 0 AFAERN c1ccc2cc3nocc3cc2c1 39133594 571900785 /nfs/dbraw/zinc/90/07/85/571900785.db2.gz JZOKDVGUQNAZJT-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN CCOC(=O)/C=C/C=C1/CC[C@@H](C)C1 300765035 571900860 /nfs/dbraw/zinc/90/08/60/571900860.db2.gz ONONUAIYOOMDDY-IKFSGYEKSA-N 0 0 194.274 2.852 10 0 AFAERN c1nc([C@H]2CCC3=C2CCC3)c[nH]1 39132981 571900886 /nfs/dbraw/zinc/90/08/86/571900886.db2.gz GMOJQIPXFOCGMR-JTQLQIEISA-N 0 0 174.247 2.768 10 0 AFAERN CC[C@@](C)(CO)CCCC(F)F 687879238 571900899 /nfs/dbraw/zinc/90/08/99/571900899.db2.gz TYRZFGQRWOZOQV-SECBINFHSA-N 0 0 180.238 2.830 10 0 AFAERN CC1=CC=C(C(C)C)C[C@@H]1CO 39104142 571900978 /nfs/dbraw/zinc/90/09/78/571900978.db2.gz LLAXQEAWQLIVBX-LLVKDONJSA-N 0 0 166.264 2.527 10 0 AFAERN CC1=CC[C@@H](Cc2c[nH]cn2)CC1 39133276 571900949 /nfs/dbraw/zinc/90/09/49/571900949.db2.gz CGSFVXKRNLQAPH-SNVBAGLBSA-N 0 0 176.263 2.699 10 0 AFAERN C/C=C/N(/C=C/C)C(=O)C(C)(C)C 100295036 571900958 /nfs/dbraw/zinc/90/09/58/571900958.db2.gz YUZUEIDUJDDDDB-CDJQDVQCSA-N 0 0 181.279 2.928 10 0 AFAERN Cc1nc(-c2cccs2)[nH]c1C 39133208 571901053 /nfs/dbraw/zinc/90/10/53/571901053.db2.gz OJPKRTZBYYLQFD-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN CC(C)N1[C@@H](C)[C@@H]1c1ccccc1 39104802 571901060 /nfs/dbraw/zinc/90/10/60/571901060.db2.gz NAVCMYOUFSTBGP-LQNXFFKNSA-N 0 0 175.275 2.840 10 0 AFAERN COC[C@H](C)C[C@H](O)C1=CCCCC1 234699172 571901091 /nfs/dbraw/zinc/90/10/91/571901091.db2.gz NNPPIPPCFRXHCG-PWSUYJOCSA-N 0 0 198.306 2.520 10 0 AFAERN CC(C)(C)CCC[C@@H](O)C(F)F 300764599 571901106 /nfs/dbraw/zinc/90/11/06/571901106.db2.gz OAHXDFQXJRUTFJ-SSDOTTSWSA-N 0 0 180.238 2.829 10 0 AFAERN CC(C)(C)[Si](C)(C)/C=C\CCO 217652496 571901126 /nfs/dbraw/zinc/90/11/26/571901126.db2.gz FEVGFGFBWKJWTB-CLFYSBASSA-N 0 0 186.371 2.973 10 0 AFAERN C[C@@H]1CC[C@H]2CCCC(=O)[C@H]2C1 39147659 571903085 /nfs/dbraw/zinc/90/30/85/571903085.db2.gz OOAYWWTWXHFVSR-BBBLOLIVSA-N 0 0 166.264 2.792 10 0 AFAERN COCc1ccccc1C(C)C 39103928 571901332 /nfs/dbraw/zinc/90/13/32/571901332.db2.gz GKGYXGUEZIFXHG-UHFFFAOYSA-N 0 0 164.248 2.956 10 0 AFAERN CC1=CC[C@H](Cc2c[nH]cn2)CC1 39133275 571901367 /nfs/dbraw/zinc/90/13/67/571901367.db2.gz CGSFVXKRNLQAPH-JTQLQIEISA-N 0 0 176.263 2.699 10 0 AFAERN Nc1ccc(NNc2ccccc2)cc1 34619107 571901397 /nfs/dbraw/zinc/90/13/97/571901397.db2.gz MQVGTKRLZUSWSQ-UHFFFAOYSA-N 0 0 199.257 2.708 10 0 AFAERN C[C@H](CC(F)F)C[C@@]1(O)CC[C@H]1C 687879583 571901403 /nfs/dbraw/zinc/90/14/03/571901403.db2.gz UZWUEJXNSSDZOC-MRTMQBJTSA-N 0 0 192.249 2.829 10 0 AFAERN CC1=C[C@H](Cc2c[nH]cn2)CCC1 39133281 571901607 /nfs/dbraw/zinc/90/16/07/571901607.db2.gz BAQHMGKQTJNVFK-SNVBAGLBSA-N 0 0 176.263 2.699 10 0 AFAERN C[C@H](CC(F)F)C[C@]1(O)CC[C@H]1C 687879586 571901825 /nfs/dbraw/zinc/90/18/25/571901825.db2.gz UZWUEJXNSSDZOC-NQMVMOMDSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@H](CC(F)F)C[C@]1(O)CC[C@@H]1C 687879581 571901870 /nfs/dbraw/zinc/90/18/70/571901870.db2.gz UZWUEJXNSSDZOC-KHQFGBGNSA-N 0 0 192.249 2.829 10 0 AFAERN Cc1cc2c(o1)CCC(C)(C)C2=O 39147927 571903404 /nfs/dbraw/zinc/90/34/04/571903404.db2.gz MAIUUZUUDRJTSG-UHFFFAOYSA-N 0 0 178.231 2.743 10 0 AFAERN Oc1ccccc1/C=C/c1cccnc1 32302792 571901916 /nfs/dbraw/zinc/90/19/16/571901916.db2.gz TXGIFQUEFUQVSO-BQYQJAHWSA-N 0 0 197.237 2.958 10 0 AFAERN C[C@H]1CCC[C@@]1(O)CCCC(F)F 687880083 571901925 /nfs/dbraw/zinc/90/19/25/571901925.db2.gz WLPDFWGGFUPMSV-WCBMZHEXSA-N 0 0 192.249 2.973 10 0 AFAERN CCC[C@@H](C)C(=O)[C@H](C)CSC 300769356 571902016 /nfs/dbraw/zinc/90/20/16/571902016.db2.gz PSMZMGDQJNYOOL-RKDXNWHRSA-N 0 0 188.336 2.991 10 0 AFAERN C[C@@H]1CCC[C@@]1(O)CCCC(F)F 687880081 571902183 /nfs/dbraw/zinc/90/21/83/571902183.db2.gz WLPDFWGGFUPMSV-PSASIEDQSA-N 0 0 192.249 2.973 10 0 AFAERN CC(C)(CO)CC1=CCCC1 39147524 571902191 /nfs/dbraw/zinc/90/21/91/571902191.db2.gz CZEKYUXJTGXAMF-UHFFFAOYSA-N 0 0 154.253 2.505 10 0 AFAERN Cc1cc2ccnc(Cl)c2o1 39147684 571902460 /nfs/dbraw/zinc/90/24/60/571902460.db2.gz FVOFDOSMLVABSW-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN CC1=CC(C)(C)CC(=O)C1(C)C 39147657 571902467 /nfs/dbraw/zinc/90/24/67/571902467.db2.gz NVPCNGVNZOJPOB-UHFFFAOYSA-N 0 0 166.264 2.958 10 0 AFAERN C[C@@](O)(CCC1CC1)CC1CC1 235426325 571902483 /nfs/dbraw/zinc/90/24/83/571902483.db2.gz APZQCOOMGJVYGK-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CCN[C@H]([C@@H]1CC1(C)C)C(F)(F)F 686227923 571902489 /nfs/dbraw/zinc/90/24/89/571902489.db2.gz VONLKQNLTXNAQD-NKWVEPMBSA-N 0 0 195.228 2.573 10 0 AFAERN N[C@@H](CC1=CCCCC1)C(F)(F)F 686227886 571902493 /nfs/dbraw/zinc/90/24/93/571902493.db2.gz UZVDVFXZXHHKLZ-QMMMGPOBSA-N 0 0 193.212 2.767 10 0 AFAERN CCCCC[C@H](O)[C@H](C)CSC 300766627 571902556 /nfs/dbraw/zinc/90/25/56/571902556.db2.gz OVKKKEWTDQZCMH-ZJUUUORDSA-N 0 0 190.352 2.927 10 0 AFAERN CC1([C@@H](CCC2CCCC2)NN)CC1 300764206 571902608 /nfs/dbraw/zinc/90/26/08/571902608.db2.gz OIZBBWPERNKKAQ-LLVKDONJSA-N 0 0 196.338 2.589 10 0 AFAERN C=C=C1C[C@@H](c2ccccc2)C[C@@H]1O 39148150 571902975 /nfs/dbraw/zinc/90/29/75/571902975.db2.gz XVNIAYOTNQEZQH-OLZOCXBDSA-N 0 0 186.254 2.636 10 0 AFAERN C=C=C1C[C@H](c2ccccc2)C[C@@H]1O 39148149 571902999 /nfs/dbraw/zinc/90/29/99/571902999.db2.gz XVNIAYOTNQEZQH-STQMWFEESA-N 0 0 186.254 2.636 10 0 AFAERN CNc1cc(Cl)ccc1C(C)=O 39148064 571903023 /nfs/dbraw/zinc/90/30/23/571903023.db2.gz NHXDHTRMBVOCRF-UHFFFAOYSA-N 0 0 183.638 2.584 10 0 AFAERN Cc1ncc(O)c2c(C)cccc12 39147839 571903028 /nfs/dbraw/zinc/90/30/28/571903028.db2.gz IGHPTFVGGYABEZ-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN C[C@@](O)(CCC1CC1)c1ccoc1 235428054 571903073 /nfs/dbraw/zinc/90/30/73/571903073.db2.gz ZXQMIOKAOBSIOF-LLVKDONJSA-N 0 0 180.247 2.677 10 0 AFAERN CCN[C@@H]([C@H]1CC1(C)C)C(F)(F)F 686227930 571903548 /nfs/dbraw/zinc/90/35/48/571903548.db2.gz VONLKQNLTXNAQD-RQJHMYQMSA-N 0 0 195.228 2.573 10 0 AFAERN N[C@H](CC1=CCCCC1)C(F)(F)F 686227875 571903334 /nfs/dbraw/zinc/90/33/34/571903334.db2.gz UZVDVFXZXHHKLZ-MRVPVSSYSA-N 0 0 193.212 2.767 10 0 AFAERN C=C=C1C[C@@H](c2ccccc2)C[C@H]1O 39148152 571903645 /nfs/dbraw/zinc/90/36/45/571903645.db2.gz XVNIAYOTNQEZQH-CHWSQXEVSA-N 0 0 186.254 2.636 10 0 AFAERN C=C=C1C[C@H](c2ccccc2)C[C@H]1O 39148151 571903967 /nfs/dbraw/zinc/90/39/67/571903967.db2.gz XVNIAYOTNQEZQH-QWHCGFSZSA-N 0 0 186.254 2.636 10 0 AFAERN C[C@@H](Nc1cccnc1F)C1(C)CC1 401438524 571903825 /nfs/dbraw/zinc/90/38/25/571903825.db2.gz SBAWOVQPYBBUBW-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN C[C@H](Nc1cccnc1F)C1(C)CC1 401438525 571903842 /nfs/dbraw/zinc/90/38/42/571903842.db2.gz SBAWOVQPYBBUBW-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN CCC[C@@H]1CCN(C(=O)C=C(C)C)C1 300766348 571903890 /nfs/dbraw/zinc/90/38/90/571903890.db2.gz SZENTGYTBQYOHL-LLVKDONJSA-N 0 0 195.306 2.601 10 0 AFAERN CCCCC[C@@H](O)[C@H](C)CSC 300766621 571904114 /nfs/dbraw/zinc/90/41/14/571904114.db2.gz OVKKKEWTDQZCMH-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1nc2sccc2n2cccc12 39115339 571904279 /nfs/dbraw/zinc/90/42/79/571904279.db2.gz OXAXQPPMFFOYEB-UHFFFAOYSA-N 0 0 188.255 2.857 10 0 AFAERN O[C@@H]1CCCC/C1=C\c1ccoc1 39147929 571904305 /nfs/dbraw/zinc/90/43/05/571904305.db2.gz ISXIBVFLMIVGGU-PFEDMVJOSA-N 0 0 178.231 2.598 10 0 AFAERN CCCCC[C@H](O)[C@@H](C)CSC 300766623 571904361 /nfs/dbraw/zinc/90/43/61/571904361.db2.gz OVKKKEWTDQZCMH-UWVGGRQHSA-N 0 0 190.352 2.927 10 0 AFAERN CCN[C@@H]([C@@H]1CC1(C)C)C(F)(F)F 686227922 571904457 /nfs/dbraw/zinc/90/44/57/571904457.db2.gz VONLKQNLTXNAQD-BQBZGAKWSA-N 0 0 195.228 2.573 10 0 AFAERN CCC[C@H](C)C(=O)[C@H](C)CSC 300769354 571904553 /nfs/dbraw/zinc/90/45/53/571904553.db2.gz PSMZMGDQJNYOOL-DTWKUNHWSA-N 0 0 188.336 2.991 10 0 AFAERN C[C@]12CC[C@]3(C)CC(C1)C(=O)CC23 39168513 571904602 /nfs/dbraw/zinc/90/46/02/571904602.db2.gz RGBGEJAERVKESQ-JZOPBLKISA-N 0 0 178.275 2.792 10 0 AFAERN C1CCC2(CC1)N=C1CCCC[C@@H]1N2 39148388 571904717 /nfs/dbraw/zinc/90/47/17/571904717.db2.gz WXIXHKGIKHLJMI-JTQLQIEISA-N 0 0 192.306 2.634 10 0 AFAERN CCN[C@H]([C@H]1CC1(C)C)C(F)(F)F 686227928 571904719 /nfs/dbraw/zinc/90/47/19/571904719.db2.gz VONLKQNLTXNAQD-RNFRBKRXSA-N 0 0 195.228 2.573 10 0 AFAERN C1CCC2(CC1)N=C1CCCC[C@H]1N2 39148387 571904747 /nfs/dbraw/zinc/90/47/47/571904747.db2.gz WXIXHKGIKHLJMI-SNVBAGLBSA-N 0 0 192.306 2.634 10 0 AFAERN C[C@@H](O)c1cc2ccoc2c(Cl)n1 39169021 571904783 /nfs/dbraw/zinc/90/47/83/571904783.db2.gz INZYSWIUDSCSEN-RXMQYKEDSA-N 0 0 197.621 2.535 10 0 AFAERN CC(C)(C)[C@H](O)c1cc(Cl)ccn1 39149122 571904800 /nfs/dbraw/zinc/90/48/00/571904800.db2.gz NOWOXPDULKCFSL-SECBINFHSA-N 0 0 199.681 2.815 10 0 AFAERN C[C@H](O)c1cc2ccoc2c(Cl)n1 39169020 571904859 /nfs/dbraw/zinc/90/48/59/571904859.db2.gz INZYSWIUDSCSEN-YFKPBYRVSA-N 0 0 197.621 2.535 10 0 AFAERN CCc1occc1[C@@H](O)C=C(C)C 234265273 571904867 /nfs/dbraw/zinc/90/48/67/571904867.db2.gz BTZWCUZWAMUXGG-JTQLQIEISA-N 0 0 180.247 2.842 10 0 AFAERN CNc1cccnc1C1=CCCC1 39168452 571904874 /nfs/dbraw/zinc/90/48/74/571904874.db2.gz DAMANYRZLSXPLD-UHFFFAOYSA-N 0 0 174.247 2.691 10 0 AFAERN CCC(=O)CCCCC1CCOCC1 300768174 571904890 /nfs/dbraw/zinc/90/48/90/571904890.db2.gz PCNWAUXDCRPPHB-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CCCCOCCCC[C@@H](O)CC 70777266 571904965 /nfs/dbraw/zinc/90/49/65/571904965.db2.gz PCZIZPHPWDADMM-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)Cc1sccc1N 39184698 571904995 /nfs/dbraw/zinc/90/49/95/571904995.db2.gz GPMRWPKLJHSGKE-UHFFFAOYSA-N 0 0 155.266 2.529 10 0 AFAERN CC(C)=Cc1cccc(N)c1 39168098 571905249 /nfs/dbraw/zinc/90/52/49/571905249.db2.gz MJUDRIFRJLXJEX-UHFFFAOYSA-N 0 0 147.221 2.692 10 0 AFAERN CC(C)(C)[C@@H]1CC=C(CO)CC1 39168338 571905005 /nfs/dbraw/zinc/90/50/05/571905005.db2.gz KSNYFRVFJRLSDL-SNVBAGLBSA-N 0 0 168.280 2.751 10 0 AFAERN CCCc1ccnc2ccoc12 39184765 571905066 /nfs/dbraw/zinc/90/50/66/571905066.db2.gz MXOFOXZVEBWZPS-UHFFFAOYSA-N 0 0 161.204 2.780 10 0 AFAERN CC(C)(C)[C@H]1CC=C(CO)CC1 39168337 571905122 /nfs/dbraw/zinc/90/51/22/571905122.db2.gz KSNYFRVFJRLSDL-JTQLQIEISA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)C1=C[C@H]2CC(=O)C[C@@H](C1)C2 39168512 571905201 /nfs/dbraw/zinc/90/52/01/571905201.db2.gz TYLNVTUONKXGDU-VHSXEESVSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)(C)C1=N[C@](C)(C(C)(C)C)NC1 39149038 571905202 /nfs/dbraw/zinc/90/52/02/571905202.db2.gz IUQHFCMTIWFLON-GFCCVEGCSA-N 0 0 196.338 2.839 10 0 AFAERN Cc1cc2cc(Cl)ncc2o1 39168301 571905209 /nfs/dbraw/zinc/90/52/09/571905209.db2.gz FBMIYEVHMJUDNU-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN CCCCOCCCC[C@H](O)CC 70777264 571905311 /nfs/dbraw/zinc/90/53/11/571905311.db2.gz PCZIZPHPWDADMM-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)(C)/C(=C/c1ccccn1)CO 39148343 571905336 /nfs/dbraw/zinc/90/53/36/571905336.db2.gz RDMMFSPYUKMKHE-CSKARUKUSA-N 0 0 191.274 2.503 10 0 AFAERN CC1(C)C[C@]23CCC[C@]2(C3)C1=O 39168240 571905358 /nfs/dbraw/zinc/90/53/58/571905358.db2.gz IZDPLRFAVCGAMD-QWRGUYRKSA-N 0 0 164.248 2.546 10 0 AFAERN CC(C)(C)[C@@H](O)c1cc(Cl)ccn1 39149123 571905403 /nfs/dbraw/zinc/90/54/03/571905403.db2.gz NOWOXPDULKCFSL-VIFPVBQESA-N 0 0 199.681 2.815 10 0 AFAERN CSC[C@H](O)CCC1CCCC1 300768198 571905409 /nfs/dbraw/zinc/90/54/09/571905409.db2.gz PCZLTJUHOWZJAL-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CCCCC(=O)Sc1ccccn1 39116758 571905500 /nfs/dbraw/zinc/90/55/00/571905500.db2.gz JYQQICZIOHBMTB-UHFFFAOYSA-N 0 0 195.287 2.891 10 0 AFAERN CCc1cc(N)ccc1C(F)(F)F 39148249 571905503 /nfs/dbraw/zinc/90/55/03/571905503.db2.gz CHEMBKKMNDBCHB-UHFFFAOYSA-N 0 0 189.180 2.850 10 0 AFAERN Cc1c(O)cc(F)c(Cl)c1C 39168456 571905539 /nfs/dbraw/zinc/90/55/39/571905539.db2.gz NNHSRUJKOPPISF-UHFFFAOYSA-N 0 0 174.602 2.802 10 0 AFAERN CCc1occc1[C@@H](O)C(C)C 234265051 571905594 /nfs/dbraw/zinc/90/55/94/571905594.db2.gz DDNNFTDNAXWNGD-JTQLQIEISA-N 0 0 168.236 2.531 10 0 AFAERN CSC[C@@H](O)CCC1CCCC1 300768196 571905672 /nfs/dbraw/zinc/90/56/72/571905672.db2.gz PCZLTJUHOWZJAL-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN COc1ccc2ccc(O)c(C)c2c1 39168755 571905694 /nfs/dbraw/zinc/90/56/94/571905694.db2.gz GDQJXRSDAVXHDB-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN C[C@@H]1CCCCCCC(=O)C1 39184689 571905814 /nfs/dbraw/zinc/90/58/14/571905814.db2.gz LRUZNXBAPLMACN-SECBINFHSA-N 0 0 154.253 2.936 10 0 AFAERN Cc1cc(C(=O)OC(C)(C)C)c(C)o1 39168976 571905825 /nfs/dbraw/zinc/90/58/25/571905825.db2.gz AFMKWNNCNCZPFS-UHFFFAOYSA-N 0 0 196.246 2.852 10 0 AFAERN CC1(C)COC(c2cccs2)OC1 145367418 571905928 /nfs/dbraw/zinc/90/59/28/571905928.db2.gz OQVHWZIBIMPSEK-UHFFFAOYSA-N 0 0 198.287 2.820 10 0 AFAERN COc1c(C)c(C)c(Cl)c(N)c1C 39149121 571905955 /nfs/dbraw/zinc/90/59/55/571905955.db2.gz UIFMCMRPROCBOE-UHFFFAOYSA-N 0 0 199.681 2.856 10 0 AFAERN CCc1occc1[C@@H](O)C1CCC1 234265184 571905973 /nfs/dbraw/zinc/90/59/73/571905973.db2.gz KFOHSJMCDXOTIS-NSHDSACASA-N 0 0 180.247 2.676 10 0 AFAERN CC1(C)C[C@@]23CCC[C@@]2(C3)C1=O 39168239 571905975 /nfs/dbraw/zinc/90/59/75/571905975.db2.gz IZDPLRFAVCGAMD-GHMZBOCLSA-N 0 0 164.248 2.546 10 0 AFAERN OCCc1ccc(C2CCCC2)cc1 39156941 571905982 /nfs/dbraw/zinc/90/59/82/571905982.db2.gz BRYVLQIWIWFVBU-UHFFFAOYSA-N 0 0 190.286 2.879 10 0 AFAERN C[C@]12CC[C@]3(C)CC(C1)[C@@H](O)CC23 39168557 571906011 /nfs/dbraw/zinc/90/60/11/571906011.db2.gz BECFSWXZNRDTSQ-PGTPCPKXSA-N 0 0 180.291 2.584 10 0 AFAERN CC(C)OCCCC[C@H](O)C(C)C 70777995 571906014 /nfs/dbraw/zinc/90/60/14/571906014.db2.gz OFVOAXRQQAVYDD-NSHDSACASA-N 0 0 188.311 2.599 10 0 AFAERN O=Nc1cccc(Cl)c1 39194536 571907537 /nfs/dbraw/zinc/90/75/37/571907537.db2.gz ZNTJGNOQDHOIIX-UHFFFAOYSA-N 0 0 141.557 2.738 10 0 AFAERN C=Cc1cc(OC)c(C)cc1OC 39168502 571906060 /nfs/dbraw/zinc/90/60/60/571906060.db2.gz GLCGFGDZALNOIX-UHFFFAOYSA-N 0 0 178.231 2.655 10 0 AFAERN CC(C)(C)C1=N[C@@](C)(C(C)(C)C)NC1 39149037 571906115 /nfs/dbraw/zinc/90/61/15/571906115.db2.gz IUQHFCMTIWFLON-LBPRGKRZSA-N 0 0 196.338 2.839 10 0 AFAERN C/C=C/CNc1cccc(COC)c1 234717359 571906178 /nfs/dbraw/zinc/90/61/78/571906178.db2.gz MCFWCKAWTPFJLW-ONEGZZNKSA-N 0 0 191.274 2.821 10 0 AFAERN O=C(CCC1CCCC1)[C@@H]1CCCO1 300766888 571906183 /nfs/dbraw/zinc/90/61/83/571906183.db2.gz OWLBOEBDFXWZLQ-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN CCC[C@H](CCCC(C)(C)C)NN 300767998 571906193 /nfs/dbraw/zinc/90/61/93/571906193.db2.gz YVDVCMXOPHSHOS-SNVBAGLBSA-N 0 0 186.343 2.835 10 0 AFAERN CCc1occc1[C@@H](O)CC1CC1 234265329 571906248 /nfs/dbraw/zinc/90/62/48/571906248.db2.gz MHOUTIFCAYETIT-JTQLQIEISA-N 0 0 180.247 2.676 10 0 AFAERN CN[C@@](C)(CC1CCC1)C(F)(F)F 229755120 571906478 /nfs/dbraw/zinc/90/64/78/571906478.db2.gz YJLUPJWNSZRLRH-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN OCCCC[C@H]1CCC(F)(F)C1 300768073 571906544 /nfs/dbraw/zinc/90/65/44/571906544.db2.gz PHHRUPYEOJWEOH-QMMMGPOBSA-N 0 0 178.222 2.584 10 0 AFAERN c1cnc2cc3c(cc2c1)CCC3 39191590 571906633 /nfs/dbraw/zinc/90/66/33/571906633.db2.gz ZZZPCMFPLCPJPY-UHFFFAOYSA-N 0 0 169.227 2.724 10 0 AFAERN C[C@@]12CCCC[C@H]1CCC[C@H]2O 39189922 571906688 /nfs/dbraw/zinc/90/66/88/571906688.db2.gz WKKUHJSDEQKKLV-HBNTYKKESA-N 0 0 168.280 2.728 10 0 AFAERN Cc1c[nH]c(C=O)c1-c1ccccc1 39185228 571906703 /nfs/dbraw/zinc/90/67/03/571906703.db2.gz ZWMMRMCNEHFGNN-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN CC1(C)Cc2nc3ccccc3n2C1 39185262 571906706 /nfs/dbraw/zinc/90/67/06/571906706.db2.gz LXLNBCGVGMKSCM-UHFFFAOYSA-N 0 0 186.258 2.619 10 0 AFAERN C[C@@H](O)/C=C\c1ccccc1Cl 379324680 571906712 /nfs/dbraw/zinc/90/67/12/571906712.db2.gz GAIQTSQMEVWQPU-NFXKFNAJSA-N 0 0 182.650 2.734 10 0 AFAERN C[C@]12CCCC[C@@H]1CCC[C@H]2O 39189923 571906736 /nfs/dbraw/zinc/90/67/36/571906736.db2.gz WKKUHJSDEQKKLV-MXWKQRLJSA-N 0 0 168.280 2.728 10 0 AFAERN O=C(CCC1CCCC1)[C@H]1CCCO1 300766886 571906813 /nfs/dbraw/zinc/90/68/13/571906813.db2.gz OWLBOEBDFXWZLQ-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN CSc1nc(C)nc2sccc12 39192711 571906875 /nfs/dbraw/zinc/90/68/75/571906875.db2.gz LJDGVGPHUTYCNJ-UHFFFAOYSA-N 0 0 196.300 2.722 10 0 AFAERN C/C=C/Cc1cc(OC)ccc1NC 39202236 571906887 /nfs/dbraw/zinc/90/68/87/571906887.db2.gz DVLDRFWGDQBORV-SNAWJCMRSA-N 0 0 191.274 2.856 10 0 AFAERN CC[C@@H](C)[C@@H](O)[C@H](C)/C=C\Cl 687728813 571906947 /nfs/dbraw/zinc/90/69/47/571906947.db2.gz OMRMXZYEYSSGQJ-HDTNIOJHSA-N 0 0 176.687 2.782 10 0 AFAERN CCC/C(C)=C/C=C/C(=O)OCC 300767509 571906958 /nfs/dbraw/zinc/90/69/58/571906958.db2.gz OYRHBWIJSZJMQC-OAMUUVBCSA-N 0 0 182.263 2.852 10 0 AFAERN CCc1cccc2c1OCC2(C)C 39185020 571907057 /nfs/dbraw/zinc/90/70/57/571907057.db2.gz FIPWFGABHHRBSI-UHFFFAOYSA-N 0 0 176.259 2.919 10 0 AFAERN O[C@@H](CCCC(F)F)c1ccoc1 687880915 571907503 /nfs/dbraw/zinc/90/75/03/571907503.db2.gz ZYDIQWVTDMLTTC-QMMMGPOBSA-N 0 0 190.189 2.748 10 0 AFAERN OCCCC[C@@H]1CCC(F)(F)C1 300768071 571907133 /nfs/dbraw/zinc/90/71/33/571907133.db2.gz PHHRUPYEOJWEOH-MRVPVSSYSA-N 0 0 178.222 2.584 10 0 AFAERN CC(=O)Cc1cccc(Cl)c1C 39185170 571907139 /nfs/dbraw/zinc/90/71/39/571907139.db2.gz JNDYRSCZWBBGJU-UHFFFAOYSA-N 0 0 182.650 2.780 10 0 AFAERN COc1cc2sc(C=O)cc2s1 39185686 571907144 /nfs/dbraw/zinc/90/71/44/571907144.db2.gz FNVWEXSLMPFXIP-UHFFFAOYSA-N 0 0 198.268 2.784 10 0 AFAERN O[C@H]1CCC[C@@H]1/C=C/c1ccccc1 39185356 571907156 /nfs/dbraw/zinc/90/71/56/571907156.db2.gz DANWABJNNYYHEU-GBYBRZQVSA-N 0 0 188.270 2.861 10 0 AFAERN CCc1ccc(CC)c(C)n1 39190256 571907289 /nfs/dbraw/zinc/90/72/89/571907289.db2.gz GQJMQWNWLLOXOY-UHFFFAOYSA-N 0 0 149.237 2.515 10 0 AFAERN CC(=O)/C=C\C1(C)CCCC1 394662987 571907308 /nfs/dbraw/zinc/90/73/08/571907308.db2.gz ARIWRNYVEROZIK-YVMONPNESA-N 0 0 152.237 2.712 10 0 AFAERN CC1(/C=C\CO)CCCCC1 394660146 571907348 /nfs/dbraw/zinc/90/73/48/571907348.db2.gz KIMBQUDWWWWYIM-YVMONPNESA-N 0 0 154.253 2.505 10 0 AFAERN Clc1ccc2csnc2c1 39192157 571907358 /nfs/dbraw/zinc/90/73/58/571907358.db2.gz SAWKXFSUAGGQML-UHFFFAOYSA-N 0 0 169.636 2.950 10 0 AFAERN C/C=C/Cc1c(NC)cccc1OC 39202238 571907383 /nfs/dbraw/zinc/90/73/83/571907383.db2.gz IFUDHSDYMZCRLF-SNAWJCMRSA-N 0 0 191.274 2.856 10 0 AFAERN O[C@H](CCCC(F)F)c1ccoc1 687880913 571907405 /nfs/dbraw/zinc/90/74/05/571907405.db2.gz ZYDIQWVTDMLTTC-MRVPVSSYSA-N 0 0 190.189 2.748 10 0 AFAERN CC(C)[C@H](O)C[C@@H](C)CC(F)F 687880866 571907420 /nfs/dbraw/zinc/90/74/20/571907420.db2.gz ZPIHBSZYCCFZSS-HTQZYQBOSA-N 0 0 180.238 2.685 10 0 AFAERN C[C@@H](O)/C=C1\CCCCC1(C)C 379324692 571907439 /nfs/dbraw/zinc/90/74/39/571907439.db2.gz GSSCXFKCDHPPMZ-NCXKZPMSSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)[C@@H](O)C[C@H](C)CC(F)F 687880872 571907527 /nfs/dbraw/zinc/90/75/27/571907527.db2.gz ZPIHBSZYCCFZSS-YUMQZZPRSA-N 0 0 180.238 2.685 10 0 AFAERN O=C(c1ccc(O)cc1)C1CCCC1 39189365 571907555 /nfs/dbraw/zinc/90/75/55/571907555.db2.gz VGULCIARSYSASL-UHFFFAOYSA-N 0 0 190.242 2.765 10 0 AFAERN Clc1cccc2csnc12 39192158 571907606 /nfs/dbraw/zinc/90/76/06/571907606.db2.gz LRBJKDVLTGKZGH-UHFFFAOYSA-N 0 0 169.636 2.950 10 0 AFAERN C[C@@H](CC(F)F)C[C@H](O)C1CCC1 687880898 571907695 /nfs/dbraw/zinc/90/76/95/571907695.db2.gz ZUEHZRWXBGXSLX-APPZFPTMSA-N 0 0 192.249 2.829 10 0 AFAERN c1coc(-c2cn3ccsc3n2)c1 39189737 571907735 /nfs/dbraw/zinc/90/77/35/571907735.db2.gz JSHRRJGTDBHPHY-UHFFFAOYSA-N 0 0 190.227 2.656 10 0 AFAERN C[C@@H]1c2ccccc2N(C)[C@@H]1C 39202246 571907775 /nfs/dbraw/zinc/90/77/75/571907775.db2.gz GHIPBJHEPWWMAE-DTWKUNHWSA-N 0 0 161.248 2.628 10 0 AFAERN Cl/C=C/Oc1ccccc1 39202832 571907831 /nfs/dbraw/zinc/90/78/31/571907831.db2.gz MXGLXCNJJYLFKV-VOTSOKGWSA-N 0 0 154.596 2.775 10 0 AFAERN CCc1ccc2c(n1)CCCC2 39200042 571907854 /nfs/dbraw/zinc/90/78/54/571907854.db2.gz OCOSFCPHXTYCKT-UHFFFAOYSA-N 0 0 161.248 2.523 10 0 AFAERN O[C@@H]1[C@H]2CC[C@@H]1C[C@@H]2c1ccccc1 39185348 571907905 /nfs/dbraw/zinc/90/79/05/571907905.db2.gz QJNLXTBIQCURMI-XQHKEYJVSA-N 0 0 188.270 2.561 10 0 AFAERN CCCCOC(=O)N1CCC[C@@H](C)C1 145397441 571907933 /nfs/dbraw/zinc/90/79/33/571907933.db2.gz WVZVAYABUSPSBM-SNVBAGLBSA-N 0 0 199.294 2.655 10 0 AFAERN C[C@H](O)/C=C1\CCCCC1(C)C 379324693 571907936 /nfs/dbraw/zinc/90/79/36/571907936.db2.gz GSSCXFKCDHPPMZ-WKMLFNHBSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1cnc2c(c1)CCC(C)(C)C2 39200040 571907940 /nfs/dbraw/zinc/90/79/40/571907940.db2.gz FJRNTKHTMQXFJJ-UHFFFAOYSA-N 0 0 175.275 2.905 10 0 AFAERN C[C@H](CC(F)F)C[C@@H](O)C1CCC1 687880900 571907942 /nfs/dbraw/zinc/90/79/42/571907942.db2.gz ZUEHZRWXBGXSLX-IONNQARKSA-N 0 0 192.249 2.829 10 0 AFAERN CCCC(=S)O[C@H](C)CC 145386054 571907943 /nfs/dbraw/zinc/90/79/43/571907943.db2.gz QZWCRPOYYSNWFE-SSDOTTSWSA-N 0 0 160.282 2.929 10 0 AFAERN C[C@H](CC(F)F)C[C@H](O)C1CCC1 687880899 571907954 /nfs/dbraw/zinc/90/79/54/571907954.db2.gz ZUEHZRWXBGXSLX-CBAPKCEASA-N 0 0 192.249 2.829 10 0 AFAERN C/C=C/Cc1ccccc1NC 39202234 571907976 /nfs/dbraw/zinc/90/79/76/571907976.db2.gz MBEQWCPPTQAEBD-ONEGZZNKSA-N 0 0 161.248 2.847 10 0 AFAERN CC(C)[C@@H](O)C[C@@H](C)CC(F)F 687880870 571908038 /nfs/dbraw/zinc/90/80/38/571908038.db2.gz ZPIHBSZYCCFZSS-SFYZADRCSA-N 0 0 180.238 2.685 10 0 AFAERN C/C(=C/c1ccc(Cl)o1)[C@@H](C)O 379317170 571908061 /nfs/dbraw/zinc/90/80/61/571908061.db2.gz DPQHXJBDBYOJOD-KXTMECRCSA-N 0 0 186.638 2.717 10 0 AFAERN C/C(=C/C1(C)CCCCC1)CO 394654199 571908063 /nfs/dbraw/zinc/90/80/63/571908063.db2.gz HLBDDTWOGVMFQK-NTMALXAHSA-N 0 0 168.280 2.895 10 0 AFAERN CC(C)[C@H](O)C[C@H](C)CC(F)F 687880869 571908078 /nfs/dbraw/zinc/90/80/78/571908078.db2.gz ZPIHBSZYCCFZSS-JGVFFNPUSA-N 0 0 180.238 2.685 10 0 AFAERN COC(=O)c1ccc(C(C)C)cc1C 39185461 571908148 /nfs/dbraw/zinc/90/81/48/571908148.db2.gz CWHHLXBYXPIZJV-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN Cc1cccc2csnc12 39192170 571908163 /nfs/dbraw/zinc/90/81/63/571908163.db2.gz HHIVSSMUNLNAMG-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN C[C@H](O)/C=C\c1ccccc1Cl 379324681 571908229 /nfs/dbraw/zinc/90/82/29/571908229.db2.gz GAIQTSQMEVWQPU-UAPHAKCISA-N 0 0 182.650 2.734 10 0 AFAERN C[C@@H](O)/C=C1\CCCC(C)(C)C1 379324800 571908233 /nfs/dbraw/zinc/90/82/33/571908233.db2.gz PMDVITGYIKDELG-YIXGCBLDSA-N 0 0 168.280 2.894 10 0 AFAERN CCc1cc(OC)c(C)cc1OC 39185096 571908238 /nfs/dbraw/zinc/90/82/38/571908238.db2.gz HSVPDICKUKRMOV-UHFFFAOYSA-N 0 0 180.247 2.575 10 0 AFAERN CCCNn1ccc2ccccc21 39184980 571908257 /nfs/dbraw/zinc/90/82/57/571908257.db2.gz ZKXLBNMUYTUYPY-UHFFFAOYSA-N 0 0 174.247 2.595 10 0 AFAERN O=C1C2CCCCC1CCCC2 39184845 571908304 /nfs/dbraw/zinc/90/83/04/571908304.db2.gz UFAVESUNJIHTQE-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@H](O)/C=C1\CCCC(C)(C)C1 379324799 571908378 /nfs/dbraw/zinc/90/83/78/571908378.db2.gz PMDVITGYIKDELG-HZAKCSEPSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@H]1c2ccccc2N(C)[C@@H]1C 39202247 571908405 /nfs/dbraw/zinc/90/84/05/571908405.db2.gz GHIPBJHEPWWMAE-RKDXNWHRSA-N 0 0 161.248 2.628 10 0 AFAERN CCc1cc2ccccn2c1C(C)=O 39191599 571908408 /nfs/dbraw/zinc/90/84/08/571908408.db2.gz CSJGMRMDXGDSCD-UHFFFAOYSA-N 0 0 187.242 2.704 10 0 AFAERN C/C(=C/c1ccc(Cl)o1)[C@H](C)O 379317171 571908467 /nfs/dbraw/zinc/90/84/67/571908467.db2.gz DPQHXJBDBYOJOD-RBSILHGTSA-N 0 0 186.638 2.717 10 0 AFAERN Oc1ccccc1C1(O)CCCCC1 39202199 571908477 /nfs/dbraw/zinc/90/84/77/571908477.db2.gz GTUIOIQPAWIFIZ-UHFFFAOYSA-N 0 0 192.258 2.544 10 0 AFAERN Cc1cc2occc2c(Cl)n1 39189142 571908528 /nfs/dbraw/zinc/90/85/28/571908528.db2.gz XMXQLSCBPQZGAD-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN CC(C)c1nncc2ccccc12 39213888 571908827 /nfs/dbraw/zinc/90/88/27/571908827.db2.gz RZKXHLCTCHVMRN-UHFFFAOYSA-N 0 0 172.231 2.753 10 0 AFAERN COCCCSCC=C1CCC1 393337718 571909034 /nfs/dbraw/zinc/90/90/34/571909034.db2.gz MCEBUHXRPURGJW-UHFFFAOYSA-N 0 0 186.320 2.866 10 0 AFAERN O=C1Nc2ccc(F)c3cccc1c23 39213404 571908891 /nfs/dbraw/zinc/90/88/91/571908891.db2.gz IHKLKPMGTVOZEN-UHFFFAOYSA-N 0 0 187.173 2.545 10 0 AFAERN Cc1coc(NCc2ccccc2)n1 39203419 571908998 /nfs/dbraw/zinc/90/89/98/571908998.db2.gz WOTMSDKLZTYSOW-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN c1ccc2c(c1)Cc1cnccc1O2 39207650 571909022 /nfs/dbraw/zinc/90/90/22/571909022.db2.gz DEOGEGDPZGZIAG-UHFFFAOYSA-N 0 0 183.210 2.778 10 0 AFAERN CC(C)c1cc(=O)c2ccccc2o1 39215631 571909062 /nfs/dbraw/zinc/90/90/62/571909062.db2.gz GUWJMEVRUQNFRO-UHFFFAOYSA-N 0 0 188.226 2.916 10 0 AFAERN C[C@@H](CC(F)F)C[C@@H](O)C1CCC1 687880903 571909101 /nfs/dbraw/zinc/90/91/01/571909101.db2.gz ZUEHZRWXBGXSLX-VXNVDRBHSA-N 0 0 192.249 2.829 10 0 AFAERN Cc1nc(C)c(Cl)c(C)c1C 39206512 571909356 /nfs/dbraw/zinc/90/93/56/571909356.db2.gz GTNGJGRIIUCGDX-UHFFFAOYSA-N 0 0 169.655 2.969 10 0 AFAERN C[C@@H](O)C(C)(C)Sc1ccccc1 39214624 571909449 /nfs/dbraw/zinc/90/94/49/571909449.db2.gz VQVPWHYVJVJWCU-SECBINFHSA-N 0 0 196.315 2.938 10 0 AFAERN c1ccc2c(c1)Cc1ncccc1O2 39216042 571909546 /nfs/dbraw/zinc/90/95/46/571909546.db2.gz FULCMGRANBCDAK-UHFFFAOYSA-N 0 0 183.210 2.778 10 0 AFAERN CC(=O)[C@@H](C)CSC(C)(C)C 39212903 571909603 /nfs/dbraw/zinc/90/96/03/571909603.db2.gz LSGOFYMRNYZELO-ZETCQYMHSA-N 0 0 174.309 2.743 10 0 AFAERN O=C1CCCC[C@H](C2=CCCCC2)N1 39212667 571909877 /nfs/dbraw/zinc/90/98/77/571909877.db2.gz QGCZLSRHEVMNKO-LLVKDONJSA-N 0 0 193.290 2.546 10 0 AFAERN Cc1cc(C)c2cc(C)c(C)nc2n1 39214802 571910061 /nfs/dbraw/zinc/91/00/61/571910061.db2.gz KVIMVPMJLUKCBQ-UHFFFAOYSA-N 0 0 186.258 2.863 10 0 AFAERN CCSC[C@H](O)[C@H](C)CC(C)C 393337902 571910103 /nfs/dbraw/zinc/91/01/03/571910103.db2.gz ZFVBXFSXVYOOPI-ZJUUUORDSA-N 0 0 190.352 2.783 10 0 AFAERN Cc1ccc(Cc2cccnc2)cc1 39208551 571910107 /nfs/dbraw/zinc/91/01/07/571910107.db2.gz RPMRPZHQGUTBGC-UHFFFAOYSA-N 0 0 183.254 2.981 10 0 AFAERN CCSC[C@@H](O)[C@@H](C)CC(C)C 393337901 571910371 /nfs/dbraw/zinc/91/03/71/571910371.db2.gz ZFVBXFSXVYOOPI-VHSXEESVSA-N 0 0 190.352 2.783 10 0 AFAERN O=C1CCCC[C@H](C2CCCCC2)N1 39212551 571910435 /nfs/dbraw/zinc/91/04/35/571910435.db2.gz YBAVVLPLYQELCW-LLVKDONJSA-N 0 0 195.306 2.626 10 0 AFAERN O[C@H]1CCCCCc2ccccc21 39207204 571910488 /nfs/dbraw/zinc/91/04/88/571910488.db2.gz QXCINMTYMAIYDC-LBPRGKRZSA-N 0 0 176.259 2.837 10 0 AFAERN c1ccc2nc3cc[nH]c3cc2c1 39204415 571910530 /nfs/dbraw/zinc/91/05/30/571910530.db2.gz OLHWHAROUPDCBX-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN O[C@@H]1CCCCCc2ccccc21 39207205 571910559 /nfs/dbraw/zinc/91/05/59/571910559.db2.gz QXCINMTYMAIYDC-GFCCVEGCSA-N 0 0 176.259 2.837 10 0 AFAERN C[C@]1(c2ccccc2)CCCC[C@H]1O 39210021 571910561 /nfs/dbraw/zinc/91/05/61/571910561.db2.gz PCDLHNRNEXVNQR-CHWSQXEVSA-N 0 0 190.286 2.879 10 0 AFAERN Cc1cc2ncc(N)c(C)c2cc1C 39216722 571910606 /nfs/dbraw/zinc/91/06/06/571910606.db2.gz QBYVIZBFRRVTEE-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN C=C/C=C/c1ccccc1OC 39207262 571910631 /nfs/dbraw/zinc/91/06/31/571910631.db2.gz LSESHKUFQCFLHB-QPJJXVBHSA-N 0 0 160.216 2.894 10 0 AFAERN CCNc1cc(C)cc(C)c1C(C)=O 39208709 571910664 /nfs/dbraw/zinc/91/06/64/571910664.db2.gz GTKWWCIBMRWIDG-UHFFFAOYSA-N 0 0 191.274 2.938 10 0 AFAERN CC(=S)NCc1ccccc1Cl 39216341 571910742 /nfs/dbraw/zinc/91/07/42/571910742.db2.gz NUAFDZSSWQVOQS-UHFFFAOYSA-N 0 0 199.706 2.777 10 0 AFAERN CC(=O)[C@H](C)CSC(C)(C)C 39212904 571910851 /nfs/dbraw/zinc/91/08/51/571910851.db2.gz LSGOFYMRNYZELO-SSDOTTSWSA-N 0 0 174.309 2.743 10 0 AFAERN Cc1cc(C)c(N)c(C)c1C 39205644 571910926 /nfs/dbraw/zinc/91/09/26/571910926.db2.gz UBOTYGMUHKGENS-UHFFFAOYSA-N 0 0 149.237 2.502 10 0 AFAERN Cc1cc(O)c(C(C)C)c(O)c1 39205643 571910987 /nfs/dbraw/zinc/91/09/87/571910987.db2.gz TUWRZVAMHVWRER-UHFFFAOYSA-N 0 0 166.220 2.530 10 0 AFAERN Cc1cccc2c1CCCCC2=O 39207191 571911002 /nfs/dbraw/zinc/91/10/02/571911002.db2.gz PQZMZOVUHSLVPL-UHFFFAOYSA-N 0 0 174.243 2.904 10 0 AFAERN C[C@H](O)C(C)(C)Sc1ccccc1 39214622 571911036 /nfs/dbraw/zinc/91/10/36/571911036.db2.gz VQVPWHYVJVJWCU-VIFPVBQESA-N 0 0 196.315 2.938 10 0 AFAERN CCC(CC)[C@H]1[C@H](CO)C1(C)C 300771649 571911066 /nfs/dbraw/zinc/91/10/66/571911066.db2.gz QOCWWHRQUZVMSO-UWVGGRQHSA-N 0 0 170.296 2.687 10 0 AFAERN C[C@@H]1Nc2ccccc2-n2cccc21 39203895 571911089 /nfs/dbraw/zinc/91/10/89/571911089.db2.gz DUFOAWNYZOREGP-VIFPVBQESA-N 0 0 184.242 2.964 10 0 AFAERN CC[C@@H](C)NC(=S)c1ccccc1 39213475 571911110 /nfs/dbraw/zinc/91/11/10/571911110.db2.gz JFNLOTVTYBLUHY-SECBINFHSA-N 0 0 193.315 2.750 10 0 AFAERN CCCC(=O)N[C@@H]1CCC12CCCC2 336114843 571911193 /nfs/dbraw/zinc/91/11/93/571911193.db2.gz FSGGRFLKXHYTOS-SNVBAGLBSA-N 0 0 195.306 2.626 10 0 AFAERN CCSC[C@H](O)[C@@H](C)CC(C)C 393337900 571911599 /nfs/dbraw/zinc/91/15/99/571911599.db2.gz ZFVBXFSXVYOOPI-UWVGGRQHSA-N 0 0 190.352 2.783 10 0 AFAERN CCC(CC)[C@@H]1[C@@H](CO)C1(C)C 300771647 571911958 /nfs/dbraw/zinc/91/19/58/571911958.db2.gz QOCWWHRQUZVMSO-NXEZZACHSA-N 0 0 170.296 2.687 10 0 AFAERN CNc1ccsc1Br 687729125 571911659 /nfs/dbraw/zinc/91/16/59/571911659.db2.gz POTFMLIWDMANBK-UHFFFAOYSA-N 0 0 192.081 2.552 10 0 AFAERN CCc1cc(N)c2ccccc2c1 39238235 571911668 /nfs/dbraw/zinc/91/16/68/571911668.db2.gz TXAFIFUFUSORAE-UHFFFAOYSA-N 0 0 171.243 2.984 10 0 AFAERN O=C1CCCCCC[C@@H]2C[C@H]12 39234120 571911964 /nfs/dbraw/zinc/91/19/64/571911964.db2.gz UBKCCNQDDGWBJW-BDAKNGLRSA-N 0 0 152.237 2.546 10 0 AFAERN Clc1ccc(-c2nncs2)cc1 39235306 571911713 /nfs/dbraw/zinc/91/17/13/571911713.db2.gz PTLPJRUVDJGPEI-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Cc1cc(C)c(Cl)c(C)c1O 39224992 571911865 /nfs/dbraw/zinc/91/18/65/571911865.db2.gz XSGVIHHYJMXQPR-UHFFFAOYSA-N 0 0 170.639 2.971 10 0 AFAERN CCC(CC)[C@H]1[C@@H](CO)C1(C)C 300771652 571911876 /nfs/dbraw/zinc/91/18/76/571911876.db2.gz QOCWWHRQUZVMSO-ZJUUUORDSA-N 0 0 170.296 2.687 10 0 AFAERN CC(C)=CC(=O)NCCC1CCCC1 300770829 571912081 /nfs/dbraw/zinc/91/20/81/571912081.db2.gz QGDUYPNRXOQLIM-UHFFFAOYSA-N 0 0 195.306 2.649 10 0 AFAERN CCn1cccc1-c1ccccc1O 78458833 571912163 /nfs/dbraw/zinc/91/21/63/571912163.db2.gz DJVCVSMFZDBBSL-UHFFFAOYSA-N 0 0 187.242 2.881 10 0 AFAERN COc1ccc2c(c1OC)CCC=C2 39224890 571912202 /nfs/dbraw/zinc/91/22/02/571912202.db2.gz YSJXGMVNGYOWCO-UHFFFAOYSA-N 0 0 190.242 2.663 10 0 AFAERN CCSC[C@@H](O)[C@H](C)CC(C)C 393337899 571912203 /nfs/dbraw/zinc/91/22/03/571912203.db2.gz ZFVBXFSXVYOOPI-NXEZZACHSA-N 0 0 190.352 2.783 10 0 AFAERN CCCCNc1ccccc1O 39220593 571912236 /nfs/dbraw/zinc/91/22/36/571912236.db2.gz WTFYGNVWNFVUIK-UHFFFAOYSA-N 0 0 165.236 2.604 10 0 AFAERN CCC(CC)[C@@H]1[C@H](CO)C1(C)C 300771650 571912311 /nfs/dbraw/zinc/91/23/11/571912311.db2.gz QOCWWHRQUZVMSO-VHSXEESVSA-N 0 0 170.296 2.687 10 0 AFAERN O[C@@H]1CCc2csc3cccc1c23 39233995 571912444 /nfs/dbraw/zinc/91/24/44/571912444.db2.gz NBOXPWIFKANPGT-SECBINFHSA-N 0 0 190.267 2.881 10 0 AFAERN Cc1cc(C)c(Cl)c(C)c1N 39224991 571912618 /nfs/dbraw/zinc/91/26/18/571912618.db2.gz LNYPMVHBRZGZLK-UHFFFAOYSA-N 0 0 169.655 2.847 10 0 AFAERN c1cc2nccc3cc[nH]c(c1)c32 39238522 571912675 /nfs/dbraw/zinc/91/26/75/571912675.db2.gz NNBVOZVOESRNTA-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN O=C1CCCCCC[C@H]2C[C@H]12 39234121 571912710 /nfs/dbraw/zinc/91/27/10/571912710.db2.gz UBKCCNQDDGWBJW-IUCAKERBSA-N 0 0 152.237 2.546 10 0 AFAERN CC(=O)n1ccc2cccc(C)c21 39220723 571912748 /nfs/dbraw/zinc/91/27/48/571912748.db2.gz WSKDVYAZECJTDR-UHFFFAOYSA-N 0 0 173.215 2.610 10 0 AFAERN Cc1noc(-c2ccccc2)c1C 39233533 571912883 /nfs/dbraw/zinc/91/28/83/571912883.db2.gz HFKPINBMICMXLY-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CO/C=C/c1ccccc1Cl 39237144 571912969 /nfs/dbraw/zinc/91/29/69/571912969.db2.gz OZZCUMCTQJCVAE-VOTSOKGWSA-N 0 0 168.623 2.957 10 0 AFAERN O=Cc1coc(Cc2ccccc2)c1 39222826 571913006 /nfs/dbraw/zinc/91/30/06/571913006.db2.gz PNCNNQQGLLMNII-UHFFFAOYSA-N 0 0 186.210 2.683 10 0 AFAERN O[C@H]1CCc2csc3cccc1c23 39233994 571913019 /nfs/dbraw/zinc/91/30/19/571913019.db2.gz NBOXPWIFKANPGT-VIFPVBQESA-N 0 0 190.267 2.881 10 0 AFAERN CCCC(=O)N[C@H]1CCC12CCCC2 336114842 571913035 /nfs/dbraw/zinc/91/30/35/571913035.db2.gz FSGGRFLKXHYTOS-JTQLQIEISA-N 0 0 195.306 2.626 10 0 AFAERN CC(C)(C)C1(CO)CCCC1 39224624 571913036 /nfs/dbraw/zinc/91/30/36/571913036.db2.gz OPGMZBQAJHOUTC-UHFFFAOYSA-N 0 0 156.269 2.585 10 0 AFAERN c1ccc2nc3[nH]ccc3cc2c1 39238282 571913044 /nfs/dbraw/zinc/91/30/44/571913044.db2.gz ADLWWJBNXIDHEL-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN CC(C)CCC(=O)c1cscn1 36438258 571913078 /nfs/dbraw/zinc/91/30/78/571913078.db2.gz FEBKUMNGHNFEDT-UHFFFAOYSA-N 0 0 183.276 2.762 10 0 AFAERN COc1ccc2c(c1)CCCCC2 39224036 571913158 /nfs/dbraw/zinc/91/31/58/571913158.db2.gz ODPIRBWGLXFJLM-UHFFFAOYSA-N 0 0 176.259 2.964 10 0 AFAERN Fc1cc(Br)cs1 39234699 571913169 /nfs/dbraw/zinc/91/31/69/571913169.db2.gz KMVFGVFFNSPCDV-UHFFFAOYSA-N 0 0 181.029 2.650 10 0 AFAERN CSC[C@H](C)C(=O)C1CCCC1 300771665 571913346 /nfs/dbraw/zinc/91/33/46/571913346.db2.gz QOROMOUOWGWZCY-QMMMGPOBSA-N 0 0 186.320 2.745 10 0 AFAERN C=Cc1cc(C)ccc1NC(C)=O 39233514 571913400 /nfs/dbraw/zinc/91/34/00/571913400.db2.gz XQYZMXGNODKTQM-UHFFFAOYSA-N 0 0 175.231 2.596 10 0 AFAERN C=C=C(C)C[C@@H](O)c1ccccc1 39239275 571913952 /nfs/dbraw/zinc/91/39/52/571913952.db2.gz RGSJXFMVUVKUAS-GFCCVEGCSA-N 0 0 174.243 2.841 10 0 AFAERN CC(C)[C@@H](O)[C@@H](C)CC1CCC1 229764081 571913583 /nfs/dbraw/zinc/91/35/83/571913583.db2.gz VJBLUKAIUQJIIO-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN CCCSCNCc1ccccc1 39219014 571913610 /nfs/dbraw/zinc/91/36/10/571913610.db2.gz QWNJVFJLYRYENQ-UHFFFAOYSA-N 0 0 195.331 2.877 10 0 AFAERN C=C/C=C/CCCC(=O)CC 145376313 571913716 /nfs/dbraw/zinc/91/37/16/571913716.db2.gz LJKWXLAQGMZPPV-AATRIKPKSA-N 0 0 152.237 2.878 10 0 AFAERN OCC(CCc1ccccc1)=C(F)F 36420394 571913886 /nfs/dbraw/zinc/91/38/86/571913886.db2.gz AYEXIJYDODYGAT-UHFFFAOYSA-N 0 0 198.212 2.762 10 0 AFAERN C1=C(c2cccs2)CS1 39242820 571913910 /nfs/dbraw/zinc/91/39/10/571913910.db2.gz HGDVRFYQKLHAMT-UHFFFAOYSA-N 0 0 154.259 2.836 10 0 AFAERN CCCC(=O)[C@@H]1CC=CCC1 39247285 571913915 /nfs/dbraw/zinc/91/39/15/571913915.db2.gz ZFHVFULTISLDTQ-SECBINFHSA-N 0 0 152.237 2.712 10 0 AFAERN CCC[C@H]1CCC[C@@H](C)C1=O 39239049 571913935 /nfs/dbraw/zinc/91/39/35/571913935.db2.gz POVFFMRSKCPZDY-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN O[C@H](C1=CC=CC1)c1ccccc1 39249175 571914001 /nfs/dbraw/zinc/91/40/01/571914001.db2.gz RAHFWHWOEUYQPH-LBPRGKRZSA-N 0 0 172.227 2.606 10 0 AFAERN C=C=C(C)C[C@H](O)c1ccccc1 39239274 571914006 /nfs/dbraw/zinc/91/40/06/571914006.db2.gz RGSJXFMVUVKUAS-LBPRGKRZSA-N 0 0 174.243 2.841 10 0 AFAERN CCc1c(C=O)[nH]c2ccccc12 39238579 571914117 /nfs/dbraw/zinc/91/41/17/571914117.db2.gz IJVJFFWEENEMQA-UHFFFAOYSA-N 0 0 173.215 2.543 10 0 AFAERN Cc1cc(C(C)C)cc(C)n1 39241388 571914138 /nfs/dbraw/zinc/91/41/38/571914138.db2.gz WJRTYOVMKNMFNV-UHFFFAOYSA-N 0 0 149.237 2.822 10 0 AFAERN CSC[C@@H](C)C(=O)C1CCCC1 300771663 571914208 /nfs/dbraw/zinc/91/42/08/571914208.db2.gz QOROMOUOWGWZCY-MRVPVSSYSA-N 0 0 186.320 2.745 10 0 AFAERN CCCCC[C@H]1CCC1=O 39250306 571914398 /nfs/dbraw/zinc/91/43/98/571914398.db2.gz NVQFGBQTFRMMLL-QMMMGPOBSA-N 0 0 140.226 2.546 10 0 AFAERN CCCC[C@H]1CCCCO1 39239399 571914545 /nfs/dbraw/zinc/91/45/45/571914545.db2.gz UDRQSYOGRUGDNA-VIFPVBQESA-N 0 0 142.242 2.746 10 0 AFAERN Cc1ccc(C(=O)C(C)(C)C)c(O)c1 39241822 571914569 /nfs/dbraw/zinc/91/45/69/571914569.db2.gz YFHOVLKMEXCORO-UHFFFAOYSA-N 0 0 192.258 2.929 10 0 AFAERN CCC(=O)c1ccc(C)c(C)c1O 39241824 571914632 /nfs/dbraw/zinc/91/46/32/571914632.db2.gz AYVQBQYLDJWIMG-UHFFFAOYSA-N 0 0 178.231 2.602 10 0 AFAERN c1cc2cc3cc[nH]c3cc2[nH]1 39249135 571914645 /nfs/dbraw/zinc/91/46/45/571914645.db2.gz BRVRBWQXOMAOMF-UHFFFAOYSA-N 0 0 156.188 2.649 10 0 AFAERN CNc1ccc2[nH]c(C)cc2c1 39244055 571914649 /nfs/dbraw/zinc/91/46/49/571914649.db2.gz WOWCGXVJVYSKMN-UHFFFAOYSA-N 0 0 160.220 2.518 10 0 AFAERN CCc1ccc(OC)cc1C 39244434 571914697 /nfs/dbraw/zinc/91/46/97/571914697.db2.gz RVZTXPNWMVCLCT-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN CCCCC[C@@H]1CCC1=O 39250305 571914780 /nfs/dbraw/zinc/91/47/80/571914780.db2.gz NVQFGBQTFRMMLL-MRVPVSSYSA-N 0 0 140.226 2.546 10 0 AFAERN CCCC(=O)[C@H]1CC=CCC1 39247284 571914798 /nfs/dbraw/zinc/91/47/98/571914798.db2.gz ZFHVFULTISLDTQ-VIFPVBQESA-N 0 0 152.237 2.712 10 0 AFAERN c1ccc(COc2cc[nH]c2)cc1 39242258 571914818 /nfs/dbraw/zinc/91/48/18/571914818.db2.gz QIKSNOSDJNOUAE-UHFFFAOYSA-N 0 0 173.215 2.594 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@@H](C)CSC 300772287 571914868 /nfs/dbraw/zinc/91/48/68/571914868.db2.gz QRDREWUMDSUIJQ-GUBZILKMSA-N 0 0 190.352 2.783 10 0 AFAERN CNc1ccc2c(c1)cc(C)n2C 39244056 571914930 /nfs/dbraw/zinc/91/49/30/571914930.db2.gz GIONUBSSVADJNF-UHFFFAOYSA-N 0 0 174.247 2.528 10 0 AFAERN CCCC[C@@H]1CCCCO1 39239398 571914946 /nfs/dbraw/zinc/91/49/46/571914946.db2.gz UDRQSYOGRUGDNA-SECBINFHSA-N 0 0 142.242 2.746 10 0 AFAERN CC(C)(CO)Sc1ccccc1 39248911 571914950 /nfs/dbraw/zinc/91/49/50/571914950.db2.gz YUNCOVFGMWIWSU-UHFFFAOYSA-N 0 0 182.288 2.550 10 0 AFAERN CCC[C@@H]1CCC[C@@H](C)C1=O 39239048 571915033 /nfs/dbraw/zinc/91/50/33/571915033.db2.gz POVFFMRSKCPZDY-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN Cn1cc(NCCCC(C)(C)C)cn1 300775273 571915097 /nfs/dbraw/zinc/91/50/97/571915097.db2.gz ALEQFAWVHNGONF-UHFFFAOYSA-N 0 0 195.310 2.658 10 0 AFAERN CC1=CC(C)(C)CC(=O)C12CC2 39244918 571915261 /nfs/dbraw/zinc/91/52/61/571915261.db2.gz JGWRMRIZEPHPRT-UHFFFAOYSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)(C)Cc1ccccc1O 39247124 571915268 /nfs/dbraw/zinc/91/52/68/571915268.db2.gz BHTUQORBCROFCY-UHFFFAOYSA-N 0 0 164.248 2.981 10 0 AFAERN O[C@@H](C1=CC=CC1)c1ccccc1 39249176 571915307 /nfs/dbraw/zinc/91/53/07/571915307.db2.gz RAHFWHWOEUYQPH-GFCCVEGCSA-N 0 0 172.227 2.606 10 0 AFAERN CC1(C)Sc2ccccc2C1=O 39249848 571915332 /nfs/dbraw/zinc/91/53/32/571915332.db2.gz HKZGURNFWMSPPP-UHFFFAOYSA-N 0 0 178.256 2.754 10 0 AFAERN CC12CC3CC(C1)CC(C)(C3)C2=O 39246951 571915507 /nfs/dbraw/zinc/91/55/07/571915507.db2.gz JRWXFGRXOSVICS-UHFFFAOYSA-N 0 0 178.275 2.792 10 0 AFAERN CC(=O)Nc1ccc(Cl)c(C)c1C 39249694 571915557 /nfs/dbraw/zinc/91/55/57/571915557.db2.gz OCVBDPPSQOWSMV-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN CCC[C@H]1CCC[C@H](C)C1=O 39239047 571915634 /nfs/dbraw/zinc/91/56/34/571915634.db2.gz POVFFMRSKCPZDY-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@H](C)CSC 300772286 571915659 /nfs/dbraw/zinc/91/56/59/571915659.db2.gz QRDREWUMDSUIJQ-AEJSXWLSSA-N 0 0 190.352 2.783 10 0 AFAERN O=C1CCCC[C@H]2CC=CC[C@@H]12 39240248 571915660 /nfs/dbraw/zinc/91/56/60/571915660.db2.gz RCNVHRKQMLKECR-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CCC[C@@H]1CCC[C@H](C)C1=O 39239046 571915669 /nfs/dbraw/zinc/91/56/69/571915669.db2.gz POVFFMRSKCPZDY-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@]12CCC[C@@H]1CC(=O)CC2 39318754 571922968 /nfs/dbraw/zinc/92/29/68/571922968.db2.gz XWHKDYLCHRLRKM-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cc2cnccc2s1 39248205 571915797 /nfs/dbraw/zinc/91/57/97/571915797.db2.gz DXYSAZAAAYYUFM-UHFFFAOYSA-N 0 0 149.218 2.605 10 0 AFAERN c1cc([C@@H]2C[C@H]3CC[C@@H]2C3)ccn1 39242471 571915821 /nfs/dbraw/zinc/91/58/21/571915821.db2.gz XDIBGZAJUQUQAZ-WCQGTBRESA-N 0 0 173.259 2.985 10 0 AFAERN CCC[C@@]1(CC)[C@@H](CO)C1(C)C 300773632 571915858 /nfs/dbraw/zinc/91/58/58/571915858.db2.gz RKIINEYMMRSZME-ONGXEEELSA-N 0 0 170.296 2.831 10 0 AFAERN CCCC(=O)CC1(F)CCC1 39239151 571915874 /nfs/dbraw/zinc/91/58/74/571915874.db2.gz CZFFQGZIBTVBGE-UHFFFAOYSA-N 0 0 158.216 2.638 10 0 AFAERN C/C(=C\C=C1CCCCC1)CO 145429287 571915892 /nfs/dbraw/zinc/91/58/92/571915892.db2.gz GGDHKASSIRBMFO-JXMROGBWSA-N 0 0 166.264 2.816 10 0 AFAERN c1cc([C@H]2C[C@H]3CC[C@@H]2C3)ccn1 39242472 571915907 /nfs/dbraw/zinc/91/59/07/571915907.db2.gz XDIBGZAJUQUQAZ-MVWJERBFSA-N 0 0 173.259 2.985 10 0 AFAERN CCSCCC(C)(C)C[C@@H](C)O 131369717 571915921 /nfs/dbraw/zinc/91/59/21/571915921.db2.gz WXMOWLAAJATAQN-SECBINFHSA-N 0 0 190.352 2.927 10 0 AFAERN CCSCC[C@H]1CCC(=O)[C@@H]1C 131235228 571916022 /nfs/dbraw/zinc/91/60/22/571916022.db2.gz XYYXTOYAXNHGGP-RKDXNWHRSA-N 0 0 186.320 2.745 10 0 AFAERN S=CNc1ccc(Cl)cc1 39252265 571916166 /nfs/dbraw/zinc/91/61/66/571916166.db2.gz LXNCVESUIUIQBH-UHFFFAOYSA-N 0 0 171.652 2.709 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@H](C)CSC 300772288 571916217 /nfs/dbraw/zinc/91/62/17/571916217.db2.gz QRDREWUMDSUIJQ-IVZWLZJFSA-N 0 0 190.352 2.783 10 0 AFAERN [NH3+][C@H](CCC1CCCCC1)C(F)F 300773114 571916650 /nfs/dbraw/zinc/91/66/50/571916650.db2.gz PZIOZKVLGPWNJU-SECBINFHSA-N 0 0 191.265 2.939 10 0 AFAERN CCSCCC(C)(C)C[C@H](C)O 131369921 571916600 /nfs/dbraw/zinc/91/66/00/571916600.db2.gz WXMOWLAAJATAQN-VIFPVBQESA-N 0 0 190.352 2.927 10 0 AFAERN O=C1CCc2oc3ccccc3c21 39250783 571916530 /nfs/dbraw/zinc/91/65/30/571916530.db2.gz IFHCUCCSPFQBSL-UHFFFAOYSA-N 0 0 172.183 2.562 10 0 AFAERN C1=[NH+]Cc2cc3ccccc3cc21 139309540 571916560 /nfs/dbraw/zinc/91/65/60/571916560.db2.gz ADNXAZLNOSGKSE-UHFFFAOYSA-N 0 0 167.211 2.772 10 0 AFAERN [NH3+][C@@H](CCC1CCCCC1)C(F)F 300773116 571916765 /nfs/dbraw/zinc/91/67/65/571916765.db2.gz PZIOZKVLGPWNJU-VIFPVBQESA-N 0 0 191.265 2.939 10 0 AFAERN Nc1snc2c(Cl)cccc12 39256176 571916774 /nfs/dbraw/zinc/91/67/74/571916774.db2.gz IIKSHTITBLCSQO-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN CC1(C)[C@H]2CCC[C@@H]1CC(=O)C2 39259331 571916822 /nfs/dbraw/zinc/91/68/22/571916822.db2.gz ZWQHKJVKFNGDTO-DTORHVGOSA-N 0 0 166.264 2.792 10 0 AFAERN CSCCC(C)(C)C[C@@H](C)O 131368668 571916950 /nfs/dbraw/zinc/91/69/50/571916950.db2.gz RWJLOXWYCXXWKH-MRVPVSSYSA-N 0 0 176.325 2.537 10 0 AFAERN CC1(C)CCCCCCC1=O 39259019 571916966 /nfs/dbraw/zinc/91/69/66/571916966.db2.gz MNKAMLMLSBHWMW-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN O[C@H](C=C(F)F)c1ccccc1 39259303 571917034 /nfs/dbraw/zinc/91/70/34/571917034.db2.gz HMTMZKHPZZYQLJ-MRVPVSSYSA-N 0 0 170.158 2.500 10 0 AFAERN CCSCC[C@H](C)CC(C)=O 131228907 571917221 /nfs/dbraw/zinc/91/72/21/571917221.db2.gz GODBGLZZCMOZQU-QMMMGPOBSA-N 0 0 174.309 2.745 10 0 AFAERN COC1=NCC[C@@H](C(C)(C)C)CC1 39253258 571917255 /nfs/dbraw/zinc/91/72/55/571917255.db2.gz DYYIRFDKXHVKJI-VIFPVBQESA-N 0 0 183.295 2.878 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@@H](C)CSC 300772289 571917288 /nfs/dbraw/zinc/91/72/88/571917288.db2.gz QRDREWUMDSUIJQ-LPEHRKFASA-N 0 0 190.352 2.783 10 0 AFAERN CC(C)[C@]1(C)CCCCC1=O 39261023 571917388 /nfs/dbraw/zinc/91/73/88/571917388.db2.gz XVSHBGZATWUKDY-JTQLQIEISA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)(C)CCc1nc(C2CC2)n[nH]1 300775272 571917525 /nfs/dbraw/zinc/91/75/25/571917525.db2.gz ALCUBTRNHYXOOZ-UHFFFAOYSA-N 0 0 193.294 2.661 10 0 AFAERN Cc1cnccc1C(C)C 39262017 571917657 /nfs/dbraw/zinc/91/76/57/571917657.db2.gz UKBISELCYWEMGD-UHFFFAOYSA-N 0 0 135.210 2.513 10 0 AFAERN CC/C(Cl)=C/Cl 139342498 571917640 /nfs/dbraw/zinc/91/76/40/571917640.db2.gz ZZCLHOQBSJBENC-ARJAWSKDSA-N 0 0 124.998 2.715 10 0 AFAERN COc1ccc(CC(C)(F)F)cc1 145468245 571917802 /nfs/dbraw/zinc/91/78/02/571917802.db2.gz UKYGZCLCQFAYQM-UHFFFAOYSA-N 0 0 186.201 2.893 10 0 AFAERN C=COc1cccc(CC)c1 39260292 571917862 /nfs/dbraw/zinc/91/78/62/571917862.db2.gz NLEUAPTZVXBHHX-UHFFFAOYSA-N 0 0 148.205 2.771 10 0 AFAERN CC(=O)O[C@@H]1C(C)=CCCC1(C)C 139325148 571917884 /nfs/dbraw/zinc/91/78/84/571917884.db2.gz FGEGSSNSILCGDD-SNVBAGLBSA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)[C@@]1(C)CCCCC1=O 39261024 571917895 /nfs/dbraw/zinc/91/78/95/571917895.db2.gz XVSHBGZATWUKDY-SNVBAGLBSA-N 0 0 154.253 2.792 10 0 AFAERN COC(=O)C/C=C/CC(C)(C)C 687679332 571917932 /nfs/dbraw/zinc/91/79/32/571917932.db2.gz JHGUKHCSRMZVAQ-AATRIKPKSA-N 0 0 170.252 2.542 10 0 AFAERN c1scc2c1CCCC2 39254400 571917985 /nfs/dbraw/zinc/91/79/85/571917985.db2.gz VGZXFRBGPCUTHC-UHFFFAOYSA-N 0 0 138.235 2.627 10 0 AFAERN CNc1cc(C)cc(C)c1C(C)=O 39253736 571918001 /nfs/dbraw/zinc/91/80/01/571918001.db2.gz WNVPUGKSHXRMEU-UHFFFAOYSA-N 0 0 177.247 2.548 10 0 AFAERN O[C@@H](C=C(F)F)c1ccccc1 39259304 571918040 /nfs/dbraw/zinc/91/80/40/571918040.db2.gz HMTMZKHPZZYQLJ-QMMMGPOBSA-N 0 0 170.158 2.500 10 0 AFAERN Cn1c2ccccc2c2cccnc21 39251726 571918042 /nfs/dbraw/zinc/91/80/42/571918042.db2.gz NVSXQUCPVQBLSB-UHFFFAOYSA-N 0 0 182.226 2.727 10 0 AFAERN O=C1CCC[C@H]2[C@H]3C=C[C@H](CC3)[C@@H]12 39254040 571918106 /nfs/dbraw/zinc/91/81/06/571918106.db2.gz JYNUEKHIJHFMJO-MIZYBKAJSA-N 0 0 176.259 2.568 10 0 AFAERN CC(=O)c1cc(F)cc2scnc12 139359200 571918128 /nfs/dbraw/zinc/91/81/28/571918128.db2.gz LEGXWXXFQFKZIH-UHFFFAOYSA-N 0 0 195.218 2.638 10 0 AFAERN Oc1ccc(-c2ccsc2)c(O)c1 139362908 571918170 /nfs/dbraw/zinc/91/81/70/571918170.db2.gz SKRSOJNYCFGNIH-UHFFFAOYSA-N 0 0 192.239 2.826 10 0 AFAERN CC1(C)C[C@@]2(C)CC[C@@H]1CC2=O 39267762 571918412 /nfs/dbraw/zinc/91/84/12/571918412.db2.gz UIMZSCFCPHOKAN-LDYMZIIASA-N 0 0 166.264 2.792 10 0 AFAERN CCCCCc1cc(C)no1 39278280 571918430 /nfs/dbraw/zinc/91/84/30/571918430.db2.gz ROPFJXUTDQBVMF-UHFFFAOYSA-N 0 0 153.225 2.716 10 0 AFAERN C[C@H]1CC=Nc2ccccc2N1 39276554 571919272 /nfs/dbraw/zinc/91/92/72/571919272.db2.gz WBIKBGJJWGWIPW-QMMMGPOBSA-N 0 0 160.220 2.593 10 0 AFAERN CC[C@@H]1C[C@@]1(O)CCC(C)(C)C 300776937 571919274 /nfs/dbraw/zinc/91/92/74/571919274.db2.gz SRZMFEJIYHTBDW-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)C[C@]2(C)CC[C@H]1CC2=O 39267763 571918616 /nfs/dbraw/zinc/91/86/16/571918616.db2.gz UIMZSCFCPHOKAN-KWQFWETISA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](C)[C@H](C)CCOC(C)=O 145507777 571918730 /nfs/dbraw/zinc/91/87/30/571918730.db2.gz NCOFDUNMKGIVBQ-DTWKUNHWSA-N 0 0 172.268 2.622 10 0 AFAERN COC[C@@](C)(O)CCCC(C)(C)C 300774473 571918693 /nfs/dbraw/zinc/91/86/93/571918693.db2.gz AGJWGAZAHPOOPP-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@H](C)[C@@H](C)CCOC(C)=O 145507157 571918772 /nfs/dbraw/zinc/91/87/72/571918772.db2.gz NCOFDUNMKGIVBQ-BDAKNGLRSA-N 0 0 172.268 2.622 10 0 AFAERN CCC(CC)[C@H](O)[C@H](C)CSC 300774156 571918794 /nfs/dbraw/zinc/91/87/94/571918794.db2.gz RMGZREKVMNFXQD-PSASIEDQSA-N 0 0 190.352 2.783 10 0 AFAERN CC1(C)C[C@@]2(C)C=C[C@@H]1CC2=O 39267757 571918876 /nfs/dbraw/zinc/91/88/76/571918876.db2.gz HZEJPSXARAFGLY-LDYMZIIASA-N 0 0 164.248 2.568 10 0 AFAERN CC[C@@H](C)[C@H](C)CCOC(C)=O 145507598 571918898 /nfs/dbraw/zinc/91/88/98/571918898.db2.gz NCOFDUNMKGIVBQ-RKDXNWHRSA-N 0 0 172.268 2.622 10 0 AFAERN CCC(CC)[C@@H](O)[C@H](C)CSC 300774157 571918920 /nfs/dbraw/zinc/91/89/20/571918920.db2.gz RMGZREKVMNFXQD-SCZZXKLOSA-N 0 0 190.352 2.783 10 0 AFAERN Oc1ccc2c(c1)[C@H]1CCCC[C@H]1O2 39270608 571918927 /nfs/dbraw/zinc/91/89/27/571918927.db2.gz VCSOGWQASREPPB-MWLCHTKSSA-N 0 0 190.242 2.811 10 0 AFAERN CC(=O)[C@@H](C)CNc1ccc(C)cc1 39275431 571918986 /nfs/dbraw/zinc/91/89/86/571918986.db2.gz PXANWHZMYBXLDA-JTQLQIEISA-N 0 0 191.274 2.632 10 0 AFAERN CCCCSc1ccc[nH]1 39263636 571919078 /nfs/dbraw/zinc/91/90/78/571919078.db2.gz SPAGBMPUXGPEOP-UHFFFAOYSA-N 0 0 155.266 2.907 10 0 AFAERN CC(C)[C@H](C)[C@H](O)c1ccc(F)nc1 686121463 571919874 /nfs/dbraw/zinc/91/98/74/571919874.db2.gz AQIIKYAWMRFGSI-KWQFWETISA-N 0 0 197.253 2.546 10 0 AFAERN CCCC[C@H](O)[C@H](OC)C(C)(C)C 133407519 571919443 /nfs/dbraw/zinc/91/94/43/571919443.db2.gz MUGMKIAZDMOZDV-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN CC(=O)c1c(C)cc(C)nc1Cl 39271135 571919454 /nfs/dbraw/zinc/91/94/54/571919454.db2.gz LKSHWZXDSMMPTD-UHFFFAOYSA-N 0 0 183.638 2.554 10 0 AFAERN CC[C@H]1C[C@@]1(O)CCC(C)(C)C 300776940 571919494 /nfs/dbraw/zinc/91/94/94/571919494.db2.gz SRZMFEJIYHTBDW-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN Oc1ccc2c(c1)[C@@H]1CCCC[C@H]1O2 39270607 571919505 /nfs/dbraw/zinc/91/95/05/571919505.db2.gz VCSOGWQASREPPB-GXSJLCMTSA-N 0 0 190.242 2.811 10 0 AFAERN CC[C@@H]1C[C@]1(O)CCC(C)(C)C 300776938 571919561 /nfs/dbraw/zinc/91/95/61/571919561.db2.gz SRZMFEJIYHTBDW-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN O=Nc1ccnc2ccccc12 39271098 571919594 /nfs/dbraw/zinc/91/95/94/571919594.db2.gz BUGAJGLHGPPGFG-UHFFFAOYSA-N 0 0 158.160 2.633 10 0 AFAERN CC1(C)C[C@]2(C)C=C[C@H]1CC2=O 39267758 571919665 /nfs/dbraw/zinc/91/96/65/571919665.db2.gz HZEJPSXARAFGLY-KWQFWETISA-N 0 0 164.248 2.568 10 0 AFAERN COCC(C)(C)CC(=O)CC(C)C 712673669 571919701 /nfs/dbraw/zinc/91/97/01/571919701.db2.gz NXICNPRNIAXZNM-UHFFFAOYSA-N 0 0 186.295 2.664 10 0 AFAERN CONC[C@H](c1ccccc1)C(C)C 234738513 571919748 /nfs/dbraw/zinc/91/97/48/571919748.db2.gz TVVCITCVJFJGOS-LBPRGKRZSA-N 0 0 193.290 2.577 10 0 AFAERN Cc1cc(C)n(-c2cccc(F)c2)n1 9880477 571919809 /nfs/dbraw/zinc/91/98/09/571919809.db2.gz YLYJECXBKBNSKM-UHFFFAOYSA-N 0 0 190.221 2.628 10 0 AFAERN Oc1ccc2c(c1)[C@H]1CCCC[C@@H]1O2 39270606 571919825 /nfs/dbraw/zinc/91/98/25/571919825.db2.gz VCSOGWQASREPPB-KOLCDFICSA-N 0 0 190.242 2.811 10 0 AFAERN CC1=CC[C@@H](C)[C@H](CO)C1(C)C 139379715 571919826 /nfs/dbraw/zinc/91/98/26/571919826.db2.gz AHHHKBHTBWQWAG-SCZZXKLOSA-N 0 0 168.280 2.607 10 0 AFAERN C[C@@H]1CC=Nc2ccccc2N1 39276552 571919832 /nfs/dbraw/zinc/91/98/32/571919832.db2.gz WBIKBGJJWGWIPW-MRVPVSSYSA-N 0 0 160.220 2.593 10 0 AFAERN CC(=O)CCCCCC1CCOCC1 300774361 571919841 /nfs/dbraw/zinc/91/98/41/571919841.db2.gz QGARPZVOPILSMR-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN Cc1c(O)cc2c(c1C)CCCC2 39270342 571919795 /nfs/dbraw/zinc/91/97/95/571919795.db2.gz QWAGZWICHJREOG-UHFFFAOYSA-N 0 0 176.259 2.888 10 0 AFAERN CCC(CC)[C@@H](O)[C@@H](C)CSC 300774159 571919940 /nfs/dbraw/zinc/91/99/40/571919940.db2.gz RMGZREKVMNFXQD-WPRPVWTQSA-N 0 0 190.352 2.783 10 0 AFAERN CCCN(C(C)=O)C1CCCCC1 145510683 571919984 /nfs/dbraw/zinc/91/99/84/571919984.db2.gz UMBUMZZZBGWDHJ-UHFFFAOYSA-N 0 0 183.295 2.578 10 0 AFAERN CCOCc1c[nH]c2ccccc12 39270205 571920012 /nfs/dbraw/zinc/92/00/12/571920012.db2.gz YUDKWAXTBZDJTG-UHFFFAOYSA-N 0 0 175.231 2.704 10 0 AFAERN CN1CCCc2cc(Cl)ccc21 39270045 571920204 /nfs/dbraw/zinc/92/02/04/571920204.db2.gz VSXDMVVHWNGHCH-UHFFFAOYSA-N 0 0 181.666 2.722 10 0 AFAERN COc1ccc(SC2CC2)cc1 39269341 571920212 /nfs/dbraw/zinc/92/02/12/571920212.db2.gz UHYWUNFIAXWGDE-UHFFFAOYSA-N 0 0 180.272 2.950 10 0 AFAERN CCC(CC)[C@H](O)[C@@H](C)CSC 300774158 571920231 /nfs/dbraw/zinc/92/02/31/571920231.db2.gz RMGZREKVMNFXQD-WCBMZHEXSA-N 0 0 190.352 2.783 10 0 AFAERN CC1=C[C@@]2(C)C(=O)CC[C@@]2(C)C1 39268233 571920328 /nfs/dbraw/zinc/92/03/28/571920328.db2.gz WDTSAXQUFZCEHE-QWRGUYRKSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=C[C@]2(C)CCC(=O)[C@]2(C)C1 39268232 571920372 /nfs/dbraw/zinc/92/03/72/571920372.db2.gz FHXPSMGUFGEYOB-QWRGUYRKSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1C=C[C@H]2CCCC(=O)[C@@]12C 39274427 571920383 /nfs/dbraw/zinc/92/03/83/571920383.db2.gz YDOZFVYLYRACQV-KKZNHRDASA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)[C@H](C)CNc1ccc(C)cc1 39275429 571920393 /nfs/dbraw/zinc/92/03/93/571920393.db2.gz PXANWHZMYBXLDA-SNVBAGLBSA-N 0 0 191.274 2.632 10 0 AFAERN Oc1ccc2c(c1)[C@@H]1CCCC[C@@H]1O2 39270605 571920408 /nfs/dbraw/zinc/92/04/08/571920408.db2.gz VCSOGWQASREPPB-ONGXEEELSA-N 0 0 190.242 2.811 10 0 AFAERN C[C@]1(C2=CCCCC2)CCC1=O 39264292 571920479 /nfs/dbraw/zinc/92/04/79/571920479.db2.gz PPQURGOXWFYBQR-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CC1=CC[C@@H](C)[C@@H](CO)C1(C)C 139379510 571920484 /nfs/dbraw/zinc/92/04/84/571920484.db2.gz AHHHKBHTBWQWAG-PSASIEDQSA-N 0 0 168.280 2.607 10 0 AFAERN CONC[C@@H](c1ccccc1)C(C)C 234739504 571920529 /nfs/dbraw/zinc/92/05/29/571920529.db2.gz TVVCITCVJFJGOS-GFCCVEGCSA-N 0 0 193.290 2.577 10 0 AFAERN COC[C@](C)(O)CCCC(C)(C)C 300774471 571920590 /nfs/dbraw/zinc/92/05/90/571920590.db2.gz AGJWGAZAHPOOPP-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN Cc1sc2ccccc2c(=O)c1C 39270412 571920601 /nfs/dbraw/zinc/92/06/01/571920601.db2.gz MBMJRWSFDYUTRL-UHFFFAOYSA-N 0 0 190.267 2.878 10 0 AFAERN CCCC[C@H]1C=C[C@H](O)CCC1 139448041 571920603 /nfs/dbraw/zinc/92/06/03/571920603.db2.gz PYRVMRCWTAQZMD-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H]1C[C@]1(O)CCC(C)(C)C 300776934 571920619 /nfs/dbraw/zinc/92/06/19/571920619.db2.gz SRZMFEJIYHTBDW-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@@H](C)[C@@H](O)c1ccc(F)nc1 686121465 571920628 /nfs/dbraw/zinc/92/06/28/571920628.db2.gz AQIIKYAWMRFGSI-LDYMZIIASA-N 0 0 197.253 2.546 10 0 AFAERN CCc1ccc(C)cc1OC 39275645 571920649 /nfs/dbraw/zinc/92/06/49/571920649.db2.gz YXGLDKRLPDQGHP-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN C[C@@]1(C2=CCCCC2)CCC1=O 39264294 571920668 /nfs/dbraw/zinc/92/06/68/571920668.db2.gz PPQURGOXWFYBQR-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN Cc1cc(-c2ccncc2)cc(C)c1N 47216558 571920728 /nfs/dbraw/zinc/92/07/28/571920728.db2.gz PAVIDBFRDCUIDI-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(C)[C@@H](C)[C@H](O)c1ccc(F)nc1 686121462 571920867 /nfs/dbraw/zinc/92/08/67/571920867.db2.gz AQIIKYAWMRFGSI-KCJUWKMLSA-N 0 0 197.253 2.546 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)c1ccc(F)nc1 686121457 571920869 /nfs/dbraw/zinc/92/08/69/571920869.db2.gz AQIIKYAWMRFGSI-GZMMTYOYSA-N 0 0 197.253 2.546 10 0 AFAERN Cc1cc(-c2cccnc2)cc(C)c1N 47216557 571920909 /nfs/dbraw/zinc/92/09/09/571920909.db2.gz IDCISHNCQLSGOM-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(C)(C)[C@H]1Cc2ccccc2[C@H]1O 39342153 571920990 /nfs/dbraw/zinc/92/09/90/571920990.db2.gz GCOHHCNPKNRMGR-NWDGAFQWSA-N 0 0 190.286 2.938 10 0 AFAERN Nc1cccc2c(Cl)ccc(N)c12 139412076 571920994 /nfs/dbraw/zinc/92/09/94/571920994.db2.gz SPNGSTZMSRYXMH-UHFFFAOYSA-N 0 0 192.649 2.658 10 0 AFAERN CC1=CC[C@H](C)[C@@H](CO)C1(C)C 139379611 571920999 /nfs/dbraw/zinc/92/09/99/571920999.db2.gz AHHHKBHTBWQWAG-WCBMZHEXSA-N 0 0 168.280 2.607 10 0 AFAERN CC(C)(C)[C@@H]1Cc2ccccc2[C@@H]1O 39342150 571921092 /nfs/dbraw/zinc/92/10/92/571921092.db2.gz GCOHHCNPKNRMGR-NEPJUHHUSA-N 0 0 190.286 2.938 10 0 AFAERN O=C1CCCC[C@H]2CCCC[C@@H]12 39311699 571921107 /nfs/dbraw/zinc/92/11/07/571921107.db2.gz VXKGUFHXCQYSLH-NXEZZACHSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CCCC[C@@H]1[C@@H]1C=CCC1 196140337 571921264 /nfs/dbraw/zinc/92/12/64/571921264.db2.gz PHOADYBSYARIQH-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H](Cc1cnc(N)s1)C(C)(C)C 711205650 571921177 /nfs/dbraw/zinc/92/11/77/571921177.db2.gz XRMFCQSVNVYHBX-ZETCQYMHSA-N 0 0 198.335 2.950 10 0 AFAERN CSCc1cccs1 39320566 571921247 /nfs/dbraw/zinc/92/12/47/571921247.db2.gz SXBFKTWZWIHXOY-UHFFFAOYSA-N 0 0 144.264 2.611 10 0 AFAERN CC1=CC[C@@H](C(C)(C)C)C[C@H]1O 39338652 571921555 /nfs/dbraw/zinc/92/15/55/571921555.db2.gz LWFWFVBSGRFTBP-NXEZZACHSA-N 0 0 168.280 2.750 10 0 AFAERN CCC(=O)c1cc(O)ccc1Cl 139490483 571921588 /nfs/dbraw/zinc/92/15/88/571921588.db2.gz GUHXDPHFIQTKQD-UHFFFAOYSA-N 0 0 184.622 2.638 10 0 AFAERN C[C@@H]1CCCCCC(=O)C1 39332439 571921600 /nfs/dbraw/zinc/92/16/00/571921600.db2.gz HNEQUAAFVQKBFI-MRVPVSSYSA-N 0 0 140.226 2.546 10 0 AFAERN CC/C(=C\CO)c1cccc(F)c1 687679911 571921630 /nfs/dbraw/zinc/92/16/30/571921630.db2.gz OIUBGCWATMBBLJ-RMKNXTFCSA-N 0 0 180.222 2.611 10 0 AFAERN CC/C(=C\CO)c1cccc(C)c1 687679616 571921681 /nfs/dbraw/zinc/92/16/81/571921681.db2.gz JOAHOAFEBNUPBC-YRNVUSSQSA-N 0 0 176.259 2.781 10 0 AFAERN CC[C@H](C)C(=O)[C@H](C)CSC 300778513 571921750 /nfs/dbraw/zinc/92/17/50/571921750.db2.gz UBUMJWJMMFCYFB-JGVFFNPUSA-N 0 0 174.309 2.601 10 0 AFAERN CSc1cc(C)c(O)cc1C 39331896 571921826 /nfs/dbraw/zinc/92/18/26/571921826.db2.gz BSYMCBXJESUTTH-UHFFFAOYSA-N 0 0 168.261 2.731 10 0 AFAERN C[C@H]1CC[C@H](C(C)(C)C)C1=O 196140774 571921835 /nfs/dbraw/zinc/92/18/35/571921835.db2.gz BRKPCAMRUIQAAM-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=S)Nc1ccc(F)cc1F 139488577 571921836 /nfs/dbraw/zinc/92/18/36/571921836.db2.gz DRYGNXKVPPUFEN-UHFFFAOYSA-N 0 0 187.214 2.724 10 0 AFAERN O[C@H]1CCCC[C@H]1C(F)=C(F)F 196142381 571921850 /nfs/dbraw/zinc/92/18/50/571921850.db2.gz RRBAUGFOMWHJSE-RITPCOANSA-N 0 0 180.169 2.615 10 0 AFAERN O=C1CCCC[C@H]1[C@@H]1C=CCC1 196140328 571921855 /nfs/dbraw/zinc/92/18/55/571921855.db2.gz PHOADYBSYARIQH-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)(C)[C@H]1Cc2ccccc2[C@@H]1O 39342151 571921873 /nfs/dbraw/zinc/92/18/73/571921873.db2.gz GCOHHCNPKNRMGR-RYUDHWBXSA-N 0 0 190.286 2.938 10 0 AFAERN CC(C)[C@H]1Cc2ccccc2[C@@H]1O 39342147 571921897 /nfs/dbraw/zinc/92/18/97/571921897.db2.gz GYGNBPUVFBQPFV-NEPJUHHUSA-N 0 0 176.259 2.548 10 0 AFAERN CC[C@@](C)(O)C(=O)CCC1CCCC1 300777909 571921912 /nfs/dbraw/zinc/92/19/12/571921912.db2.gz QZDFWCYZYYMDPB-GFCCVEGCSA-N 0 0 198.306 2.687 10 0 AFAERN CC[C@@H](C)C(=O)[C@H](C)CSC 300778512 571921916 /nfs/dbraw/zinc/92/19/16/571921916.db2.gz UBUMJWJMMFCYFB-HTQZYQBOSA-N 0 0 174.309 2.601 10 0 AFAERN CC(C)(Cl)C(=O)Nc1ccccc1 39332028 571921949 /nfs/dbraw/zinc/92/19/49/571921949.db2.gz SSKJCBZZMXROCX-UHFFFAOYSA-N 0 0 197.665 2.643 10 0 AFAERN CC(C)(C)[C@@H]1Cc2ccccc2[C@H]1O 39342152 571921977 /nfs/dbraw/zinc/92/19/77/571921977.db2.gz GCOHHCNPKNRMGR-VXGBXAGGSA-N 0 0 190.286 2.938 10 0 AFAERN CC/C(=C\CO)c1ccccc1C 687679581 571922066 /nfs/dbraw/zinc/92/20/66/571922066.db2.gz CQHNULDJQAQACU-DHZHZOJOSA-N 0 0 176.259 2.781 10 0 AFAERN CC/C(=C\CO)c1ccc(F)cc1 687679925 571922087 /nfs/dbraw/zinc/92/20/87/571922087.db2.gz UVJHLOCVRJJESO-VQHVLOKHSA-N 0 0 180.222 2.611 10 0 AFAERN C[C@]12CCC[C@H]1CC(=O)CC2 39318753 571922138 /nfs/dbraw/zinc/92/21/38/571922138.db2.gz XWHKDYLCHRLRKM-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@](C)(O)C(=O)CCC1CCCC1 300777910 571922168 /nfs/dbraw/zinc/92/21/68/571922168.db2.gz QZDFWCYZYYMDPB-LBPRGKRZSA-N 0 0 198.306 2.687 10 0 AFAERN CC(C)[C@H]1Cc2ccccc2[C@H]1O 39342149 571922184 /nfs/dbraw/zinc/92/21/84/571922184.db2.gz GYGNBPUVFBQPFV-VXGBXAGGSA-N 0 0 176.259 2.548 10 0 AFAERN Fc1ccc2c(c1)CSCCCN2 39316517 571922257 /nfs/dbraw/zinc/92/22/57/571922257.db2.gz OJLZCHGFHNTFIH-UHFFFAOYSA-N 0 0 197.278 2.875 10 0 AFAERN c1ccc2c(c1)CSCCCN2 39316514 571922301 /nfs/dbraw/zinc/92/23/01/571922301.db2.gz AUBWKKFBFXBQTL-UHFFFAOYSA-N 0 0 179.288 2.735 10 0 AFAERN Cc1csc2cccc(O)c12 39329947 571922341 /nfs/dbraw/zinc/92/23/41/571922341.db2.gz JBGDUBFDRQXGGK-UHFFFAOYSA-N 0 0 164.229 2.915 10 0 AFAERN CC[C@H](C)C(=O)[C@@H](C)CSC 300778517 571922377 /nfs/dbraw/zinc/92/23/77/571922377.db2.gz UBUMJWJMMFCYFB-YUMQZZPRSA-N 0 0 174.309 2.601 10 0 AFAERN O[C@]1(Cc2ccccc2)C=CCCC1 39343589 571922424 /nfs/dbraw/zinc/92/24/24/571922424.db2.gz HEGARSMRBBZIPD-CYBMUJFWSA-N 0 0 188.270 2.700 10 0 AFAERN C[C@H]1CCCCCC(=O)C1 39332440 571922430 /nfs/dbraw/zinc/92/24/30/571922430.db2.gz HNEQUAAFVQKBFI-QMMMGPOBSA-N 0 0 140.226 2.546 10 0 AFAERN O=C1C[C@H]2CCCCCC[C@@H]2C1 196142835 571922532 /nfs/dbraw/zinc/92/25/32/571922532.db2.gz DBJJQRZXGDTDPB-NXEZZACHSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)[C@@H]1Cc2ccccc2[C@H]1O 39342148 571922490 /nfs/dbraw/zinc/92/24/90/571922490.db2.gz GYGNBPUVFBQPFV-NWDGAFQWSA-N 0 0 176.259 2.548 10 0 AFAERN Cc1ccc(S/C=C/CO)cc1 39341583 571922493 /nfs/dbraw/zinc/92/24/93/571922493.db2.gz AFKURVPVYZVCOI-KRXBUXKQSA-N 0 0 180.272 2.593 10 0 AFAERN OCc1csc(Cl)c1Cl 39321234 571922665 /nfs/dbraw/zinc/92/26/65/571922665.db2.gz WXQJEJRAWAQJAY-UHFFFAOYSA-N 0 0 183.059 2.547 10 0 AFAERN OCC/C=C/C[C@@H]1CCCCS1 687680648 571922714 /nfs/dbraw/zinc/92/27/14/571922714.db2.gz QEMVZFVQARJPER-TXXBHVLJSA-N 0 0 186.320 2.601 10 0 AFAERN OCC/C=C/C[C@H]1CCCCS1 687680649 571922961 /nfs/dbraw/zinc/92/29/61/571922961.db2.gz QEMVZFVQARJPER-YOLVWIGZSA-N 0 0 186.320 2.601 10 0 AFAERN Cc1ccc(-c2coc(C)n2)cc1 39320803 571922831 /nfs/dbraw/zinc/92/28/31/571922831.db2.gz HNNKWCVIEVPQNE-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CC(C)(C)n1cc(NC2CCC2)cn1 134708336 571922839 /nfs/dbraw/zinc/92/28/39/571922839.db2.gz FQBGJAIPRMRPDE-UHFFFAOYSA-N 0 0 193.294 2.603 10 0 AFAERN O[C@@]1(Cc2ccccc2)C=CCCC1 39343590 571922972 /nfs/dbraw/zinc/92/29/72/571922972.db2.gz HEGARSMRBBZIPD-ZDUSSCGKSA-N 0 0 188.270 2.700 10 0 AFAERN CCOC(=O)/C(F)=C\C1CCCC1 687680623 571922946 /nfs/dbraw/zinc/92/29/46/571922946.db2.gz BXFOAPPDCMRQCL-VQHVLOKHSA-N 0 0 186.226 2.593 10 0 AFAERN O=C1C[C@@H]2CCCCCC[C@@H]2C1 196142824 571923257 /nfs/dbraw/zinc/92/32/57/571923257.db2.gz DBJJQRZXGDTDPB-AOOOYVTPSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@H]1C[C@@H]1C(=O)c1scnc1C 711215155 571923149 /nfs/dbraw/zinc/92/31/49/571923149.db2.gz FEPWBYUCSIZLRP-YUMQZZPRSA-N 0 0 195.287 2.680 10 0 AFAERN CC[C@H]1C[C@H]1C(=O)c1scnc1C 711215139 571923232 /nfs/dbraw/zinc/92/32/32/571923232.db2.gz FEPWBYUCSIZLRP-JGVFFNPUSA-N 0 0 195.287 2.680 10 0 AFAERN CCC(=O)N(C)c1ccc(Cl)cc1 39384313 571923344 /nfs/dbraw/zinc/92/33/44/571923344.db2.gz VFXKRIJSUBDLST-UHFFFAOYSA-N 0 0 197.665 2.713 10 0 AFAERN CC[C@@H]1C[C@@H]1C(=O)c1scnc1C 711215144 571923360 /nfs/dbraw/zinc/92/33/60/571923360.db2.gz FEPWBYUCSIZLRP-SFYZADRCSA-N 0 0 195.287 2.680 10 0 AFAERN C[C@@H]1CC[C@H](C(C)(C)C)C1=O 196140769 571923398 /nfs/dbraw/zinc/92/33/98/571923398.db2.gz BRKPCAMRUIQAAM-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CC1=CC[C@]2(CCCC2=O)CC1 39383341 571923519 /nfs/dbraw/zinc/92/35/19/571923519.db2.gz IXIBURNIESWKBH-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN O=C1C[C@@H]2CCCCCC[C@H]2C1 196142831 571923561 /nfs/dbraw/zinc/92/35/61/571923561.db2.gz DBJJQRZXGDTDPB-UWVGGRQHSA-N 0 0 166.264 2.936 10 0 AFAERN CO[C@@H](C)C(=O)CCC1CCCC1 300780200 571923611 /nfs/dbraw/zinc/92/36/11/571923611.db2.gz RKSVMBGVUKHNLX-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN C[C@H]1CN(C)c2c(Cl)cccc2N1 39383154 571923676 /nfs/dbraw/zinc/92/36/76/571923676.db2.gz FXZNHSPUKPDRHU-ZETCQYMHSA-N 0 0 196.681 2.590 10 0 AFAERN CCOC(=O)C/C=C/CC(C)(C)C 687680429 571923705 /nfs/dbraw/zinc/92/37/05/571923705.db2.gz DHTITIRTEPEBDP-VOTSOKGWSA-N 0 0 184.279 2.932 10 0 AFAERN C[C@H]1CCCC(C)(C)C(=O)C1 39366486 571923706 /nfs/dbraw/zinc/92/37/06/571923706.db2.gz FRKBGJCJGLELLI-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)[C@@]1(Cl)CCCCC1=O 39348544 571923712 /nfs/dbraw/zinc/92/37/12/571923712.db2.gz ZQHCGZHCWZBKGZ-VIFPVBQESA-N 0 0 174.671 2.763 10 0 AFAERN C[C@H]1CC[C@@H](C(C)(C)C)C1=O 196140787 571923781 /nfs/dbraw/zinc/92/37/81/571923781.db2.gz BRKPCAMRUIQAAM-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H]1CCC2=CCCC[C@@H]2[C@@H]1O 39348897 571923825 /nfs/dbraw/zinc/92/38/25/571923825.db2.gz CPBJUFXBPUXXHZ-DVVUODLYSA-N 0 0 166.264 2.504 10 0 AFAERN Oc1ccccc1NCc1ccco1 39348822 571923888 /nfs/dbraw/zinc/92/38/88/571923888.db2.gz CMGJYZAAQADKRD-UHFFFAOYSA-N 0 0 189.214 2.597 10 0 AFAERN C[C@@H]1CN(C)c2c(Cl)cccc2N1 39383153 571924055 /nfs/dbraw/zinc/92/40/55/571924055.db2.gz FXZNHSPUKPDRHU-SSDOTTSWSA-N 0 0 196.681 2.590 10 0 AFAERN CCO[C@@H]1CCCc2occc21 39365864 571924062 /nfs/dbraw/zinc/92/40/62/571924062.db2.gz WPBMQJRWOHGRJW-SECBINFHSA-N 0 0 166.220 2.694 10 0 AFAERN CC[C@@H]1CCc2ccc(O)cc21 39383428 571924110 /nfs/dbraw/zinc/92/41/10/571924110.db2.gz DGQCDUXODFHJFV-MRVPVSSYSA-N 0 0 162.232 2.832 10 0 AFAERN C=C=CSc1ncc(Cl)cn1 39349062 571924111 /nfs/dbraw/zinc/92/41/11/571924111.db2.gz RYTQLCXEYNEWRH-UHFFFAOYSA-N 0 0 184.651 2.521 10 0 AFAERN Cc1ccc(C2(C)OCCO2)c(C)c1 39366982 571924151 /nfs/dbraw/zinc/92/41/51/571924151.db2.gz AZUUWCFOBVLQPO-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN Cc1cc2ccccc2c(CO)c1C 39347439 571924169 /nfs/dbraw/zinc/92/41/69/571924169.db2.gz QZJKLMPHOMZLTJ-UHFFFAOYSA-N 0 0 186.254 2.949 10 0 AFAERN CC(C)[C@]1(Cl)CCCCC1=O 39348543 571924184 /nfs/dbraw/zinc/92/41/84/571924184.db2.gz ZQHCGZHCWZBKGZ-SECBINFHSA-N 0 0 174.671 2.763 10 0 AFAERN Cc1cn(C)c2c(C)cccc12 39375207 571924255 /nfs/dbraw/zinc/92/42/55/571924255.db2.gz WQSRUDBAHXVEAB-UHFFFAOYSA-N 0 0 159.232 2.795 10 0 AFAERN C[C@@]1(O)CC2C[C@H]3CC1C[C@@H](C2)C3 196147753 571924280 /nfs/dbraw/zinc/92/42/80/571924280.db2.gz CJPFYDOQSAWSJL-FESBJMALSA-N 0 0 180.291 2.584 10 0 AFAERN C[C@@H]1CC(NOCC2CC2)C[C@@H](C)C1 711210416 571924355 /nfs/dbraw/zinc/92/43/55/571924355.db2.gz XTGZQFZRAUIZKV-UWVGGRQHSA-N 0 0 197.322 2.742 10 0 AFAERN CC1(C)[C@@H]2CC[C@@]1(C)CC(=O)C2 39374896 571924632 /nfs/dbraw/zinc/92/46/32/571924632.db2.gz JKSPITNBBVCWQP-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](CO)CCC1CCCC1 300783764 571924646 /nfs/dbraw/zinc/92/46/46/571924646.db2.gz RXPJVZSKLRFILP-JTQLQIEISA-N 0 0 170.296 2.975 10 0 AFAERN CCC[C@H](O)COCC(CC)CC 300784261 571924687 /nfs/dbraw/zinc/92/46/87/571924687.db2.gz AHMGRPIHQFKCDA-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CCCC[C@@H](O)[C@@H](C)CSC 300779982 571924785 /nfs/dbraw/zinc/92/47/85/571924785.db2.gz UNPFCONJVHARKC-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)(C)CCCNCC(F)F 300782142 571924848 /nfs/dbraw/zinc/92/48/48/571924848.db2.gz VGYNNCSQILUGIW-UHFFFAOYSA-N 0 0 179.254 2.667 10 0 AFAERN C[C@@H]1CCCC(C)(C)C(=O)C1 39366485 571924858 /nfs/dbraw/zinc/92/48/58/571924858.db2.gz FRKBGJCJGLELLI-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CSC[C@H](C)C(=O)CCC1CC1 300783918 571924899 /nfs/dbraw/zinc/92/48/99/571924899.db2.gz VVYUBYXENWMFFK-QMMMGPOBSA-N 0 0 186.320 2.745 10 0 AFAERN CC/C(=C\CO)c1ccccc1F 687679932 571925057 /nfs/dbraw/zinc/92/50/57/571925057.db2.gz WCFILSWZXXJMQO-VQHVLOKHSA-N 0 0 180.222 2.611 10 0 AFAERN CSC[C@@H](C)[C@H](O)CCC1CC1 300784031 571925068 /nfs/dbraw/zinc/92/50/68/571925068.db2.gz VYRXKFLEEXAPKS-PSASIEDQSA-N 0 0 188.336 2.537 10 0 AFAERN Cc1nsc2sccc12 39348661 571925093 /nfs/dbraw/zinc/92/50/93/571925093.db2.gz UQDFJGQAZJTPDJ-UHFFFAOYSA-N 0 0 155.247 2.666 10 0 AFAERN COC(=O)C/C=C/C1CCCCC1 687680053 571925149 /nfs/dbraw/zinc/92/51/49/571925149.db2.gz MUQSYNFVJAEGFG-VMPITWQZSA-N 0 0 182.263 2.686 10 0 AFAERN CCCC(O)(C(C)C)C(C)C 39381720 571925217 /nfs/dbraw/zinc/92/52/17/571925217.db2.gz GGOIYPAZTVTJBE-UHFFFAOYSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H]1CCc2ccc(O)cc21 39383429 571925312 /nfs/dbraw/zinc/92/53/12/571925312.db2.gz DGQCDUXODFHJFV-QMMMGPOBSA-N 0 0 162.232 2.832 10 0 AFAERN CC1(C)Oc2ccc(Cl)cc2C1=O 39376117 571925336 /nfs/dbraw/zinc/92/53/36/571925336.db2.gz YULGYUXEAKRUNW-UHFFFAOYSA-N 0 0 196.633 2.694 10 0 AFAERN CCO[C@H]1CCCc2occc21 39365865 571925438 /nfs/dbraw/zinc/92/54/38/571925438.db2.gz WPBMQJRWOHGRJW-VIFPVBQESA-N 0 0 166.220 2.694 10 0 AFAERN C[Si](C)(C)Cc1cccc(CO)c1 196143395 571925447 /nfs/dbraw/zinc/92/54/47/571925447.db2.gz ORRFQDARTKAQTO-UHFFFAOYSA-N 0 0 194.350 2.599 10 0 AFAERN CC(C)Nc1cccc2c1CCC2 39351217 571925459 /nfs/dbraw/zinc/92/54/59/571925459.db2.gz GQVLHKGGCCFAPD-UHFFFAOYSA-N 0 0 175.275 2.996 10 0 AFAERN C[C@]1(O)CC2C[C@H]3CC1C[C@@H](C2)C3 196147747 571925461 /nfs/dbraw/zinc/92/54/61/571925461.db2.gz CJPFYDOQSAWSJL-GSRULGPHSA-N 0 0 180.291 2.584 10 0 AFAERN OCc1cccc(C2=CCCC2)c1 196146409 571925497 /nfs/dbraw/zinc/92/54/97/571925497.db2.gz ZOKDKWMOOALWLH-UHFFFAOYSA-N 0 0 174.243 2.746 10 0 AFAERN CC(=O)C(C)(C)C=C(C)C 39348721 571925526 /nfs/dbraw/zinc/92/55/26/571925526.db2.gz QIBKFSMCEDOQEO-UHFFFAOYSA-N 0 0 140.226 2.568 10 0 AFAERN C[C@@H]1C(=O)C[C@H]2CC(C)(C)C[C@@H]12 39350711 571925537 /nfs/dbraw/zinc/92/55/37/571925537.db2.gz FPOHTJGEBIEARV-CIUDSAMLSA-N 0 0 166.264 2.648 10 0 AFAERN O[C@H](CCC1CCCCC1)C(F)F 300790249 571925620 /nfs/dbraw/zinc/92/56/20/571925620.db2.gz TUCKOAQTAHPIRU-SECBINFHSA-N 0 0 192.249 2.973 10 0 AFAERN CO[C@@H](C)CC[C@@H](O)C1=CCCCC1 234743415 571925651 /nfs/dbraw/zinc/92/56/51/571925651.db2.gz MWLIKXZUFLAURT-CMPLNLGQSA-N 0 0 198.306 2.663 10 0 AFAERN CSC[C@H](C)[C@H](O)CCC1CC1 300784037 571926647 /nfs/dbraw/zinc/92/66/47/571926647.db2.gz VYRXKFLEEXAPKS-WCBMZHEXSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@@H](C)CC(=O)[C@@H](C)CSC 300779970 571925677 /nfs/dbraw/zinc/92/56/77/571925677.db2.gz UNFZWCJCPGMRKC-BDAKNGLRSA-N 0 0 188.336 2.991 10 0 AFAERN OC/C(=C/c1ccc(F)cc1)C1CC1 687681361 571925799 /nfs/dbraw/zinc/92/57/99/571925799.db2.gz FVLWQCDMGNVSOU-XFFZJAGNSA-N 0 0 192.233 2.611 10 0 AFAERN C[C@@H](O)[C@H](C)CCC1CCCC1 300781741 571925813 /nfs/dbraw/zinc/92/58/13/571925813.db2.gz RQURWIHQAAMEIT-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN C[Si](C)(C)Cc1cccc(C=O)c1 196143403 571925964 /nfs/dbraw/zinc/92/59/64/571925964.db2.gz SDAHDYIJMCQVRA-UHFFFAOYSA-N 0 0 192.334 2.919 10 0 AFAERN O[C@@H](CCC1CCCCC1)C(F)F 300790253 571925976 /nfs/dbraw/zinc/92/59/76/571925976.db2.gz TUCKOAQTAHPIRU-VIFPVBQESA-N 0 0 192.249 2.973 10 0 AFAERN Fc1ccccc1O[C@H]1CCCCO1 59638465 571926057 /nfs/dbraw/zinc/92/60/57/571926057.db2.gz QLFQCXYLBNOQMJ-NSHDSACASA-N 0 0 196.221 2.731 10 0 AFAERN OC/C(=C/c1cccc(F)c1)C1CC1 687681337 571926104 /nfs/dbraw/zinc/92/61/04/571926104.db2.gz DUTUNEQKIYHGFJ-WDZFZDKYSA-N 0 0 192.233 2.611 10 0 AFAERN CS[C@H]1CCc2ccccc2C1=O 39402320 571926109 /nfs/dbraw/zinc/92/61/09/571926109.db2.gz MVQOUBCUVHZRPD-JTQLQIEISA-N 0 0 192.283 2.547 10 0 AFAERN CC[C@@H](C)CC(=O)[C@H](C)CSC 300779975 571926126 /nfs/dbraw/zinc/92/61/26/571926126.db2.gz UNFZWCJCPGMRKC-RKDXNWHRSA-N 0 0 188.336 2.991 10 0 AFAERN CCCC[C@@H](O)[C@H](C)CSC 300779986 571926145 /nfs/dbraw/zinc/92/61/45/571926145.db2.gz UNPFCONJVHARKC-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN OCC/C=C/c1ccc(Cl)s1 687680908 571926155 /nfs/dbraw/zinc/92/61/55/571926155.db2.gz CLSXIMRSSWCBGR-HNQUOIGGSA-N 0 0 188.679 2.797 10 0 AFAERN Clc1ccc([C@H]2CCO2)cc1 39401011 571926163 /nfs/dbraw/zinc/92/61/63/571926163.db2.gz IWIJMPCGMRXYON-SECBINFHSA-N 0 0 168.623 2.801 10 0 AFAERN CSC[C@H](C)C(=O)[C@H]1CC1(C)C 300780017 571926664 /nfs/dbraw/zinc/92/66/64/571926664.db2.gz UOQCHMBYQCZCLS-JGVFFNPUSA-N 0 0 186.320 2.601 10 0 AFAERN Cc1ccccc1/C(=C/CO)C1CC1 687680775 571926255 /nfs/dbraw/zinc/92/62/55/571926255.db2.gz OQGNVUGOWIHQEL-MDWZMJQESA-N 0 0 188.270 2.781 10 0 AFAERN COCC(C)(C)C[C@@]1(O)C=CCCC1 712678246 571926389 /nfs/dbraw/zinc/92/63/89/571926389.db2.gz JYHAPDNNBGHESZ-GFCCVEGCSA-N 0 0 198.306 2.520 10 0 AFAERN CSC[C@@H](C)C(=O)CCC1CC1 300783914 571926394 /nfs/dbraw/zinc/92/63/94/571926394.db2.gz VVYUBYXENWMFFK-MRVPVSSYSA-N 0 0 186.320 2.745 10 0 AFAERN CCCC[C@H](O)[C@@H](C)CSC 300779984 571926398 /nfs/dbraw/zinc/92/63/98/571926398.db2.gz UNPFCONJVHARKC-IUCAKERBSA-N 0 0 176.325 2.537 10 0 AFAERN CSC[C@@H](C)[C@@H](O)CCC1CC1 300784033 571926417 /nfs/dbraw/zinc/92/64/17/571926417.db2.gz VYRXKFLEEXAPKS-SCZZXKLOSA-N 0 0 188.336 2.537 10 0 AFAERN C/C=C/C[C@H](O)CCCC 39393840 571926461 /nfs/dbraw/zinc/92/64/61/571926461.db2.gz YNAPJTXCVLTFDB-SGRBOOSSSA-N 0 0 142.242 2.504 10 0 AFAERN C[C@@H](O)/C=C/Sc1ccccc1 39401053 571926467 /nfs/dbraw/zinc/92/64/67/571926467.db2.gz YDPGZDLAFKEWDT-FCZSHJHJSA-N 0 0 180.272 2.673 10 0 AFAERN C[C@H](O)[C@@H](C)CCC1CCCC1 300781744 571926474 /nfs/dbraw/zinc/92/64/74/571926474.db2.gz RQURWIHQAAMEIT-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN CSC[C@H](C)C(=O)[C@@H]1CC1(C)C 300780023 571926526 /nfs/dbraw/zinc/92/65/26/571926526.db2.gz UOQCHMBYQCZCLS-YUMQZZPRSA-N 0 0 186.320 2.601 10 0 AFAERN CCC[C@@H](O)COCC(CC)CC 300784259 571926534 /nfs/dbraw/zinc/92/65/34/571926534.db2.gz AHMGRPIHQFKCDA-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CSC[C@H](C)[C@@H](O)CCC1CC1 300784040 571926724 /nfs/dbraw/zinc/92/67/24/571926724.db2.gz VYRXKFLEEXAPKS-WPRPVWTQSA-N 0 0 188.336 2.537 10 0 AFAERN S=C(S)c1cccc(Cl)c1 39398755 571926804 /nfs/dbraw/zinc/92/68/04/571926804.db2.gz IEWSAKJQUJUZNZ-UHFFFAOYSA-N 0 0 188.704 2.945 10 0 AFAERN CSC[C@@H](C)C(=O)[C@H]1CC1(C)C 300780014 571926836 /nfs/dbraw/zinc/92/68/36/571926836.db2.gz UOQCHMBYQCZCLS-HTQZYQBOSA-N 0 0 186.320 2.601 10 0 AFAERN COCC(C)(C)C[C@]1(O)C=CCCC1 712678249 571926864 /nfs/dbraw/zinc/92/68/64/571926864.db2.gz JYHAPDNNBGHESZ-LBPRGKRZSA-N 0 0 198.306 2.520 10 0 AFAERN CC1=CC[C@@H]2CCC(=O)[C@]2(C)C1 39408068 571926872 /nfs/dbraw/zinc/92/68/72/571926872.db2.gz AVIDYQHZISIYKV-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN OC/C(=C/c1ccccc1F)C1CC1 687681342 571926876 /nfs/dbraw/zinc/92/68/76/571926876.db2.gz YUPROPLTVJLNIZ-XFFZJAGNSA-N 0 0 192.233 2.611 10 0 AFAERN CC(=O)C(C)(C)C1CCCC1 39402177 571926948 /nfs/dbraw/zinc/92/69/48/571926948.db2.gz FONSFQCOROURAN-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)(C)CC[C@@H](O)C1=CCCCO1 300782216 571926974 /nfs/dbraw/zinc/92/69/74/571926974.db2.gz BJJUUSKBULNTQQ-SNVBAGLBSA-N 0 0 198.306 2.868 10 0 AFAERN C[C@@H]1CC(C)(C)CC(=O)C12CC2 39385508 571927411 /nfs/dbraw/zinc/92/74/11/571927411.db2.gz LAMXUPIICOGZCN-MRVPVSSYSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](C)CC(=O)[C@@H](C)CSC 300779974 571926987 /nfs/dbraw/zinc/92/69/87/571926987.db2.gz UNFZWCJCPGMRKC-IUCAKERBSA-N 0 0 188.336 2.991 10 0 AFAERN OC/C=C(/c1ccccc1F)C1CC1 687681340 571927014 /nfs/dbraw/zinc/92/70/14/571927014.db2.gz KFMHMDIHSGULDO-JXMROGBWSA-N 0 0 192.233 2.611 10 0 AFAERN CC(C)(C)CC[C@H](O)C1=CCCCO1 300782213 571927026 /nfs/dbraw/zinc/92/70/26/571927026.db2.gz BJJUUSKBULNTQQ-JTQLQIEISA-N 0 0 198.306 2.868 10 0 AFAERN CC(C)(C)C(=O)C[C@@H]1C=CCC1 39401585 571927048 /nfs/dbraw/zinc/92/70/48/571927048.db2.gz MJXAWZVOCYXNGY-SECBINFHSA-N 0 0 166.264 2.958 10 0 AFAERN CC1=C(CCCO)CCCC1 196146252 571927054 /nfs/dbraw/zinc/92/70/54/571927054.db2.gz SRXUCYBFHDAUPW-UHFFFAOYSA-N 0 0 154.253 2.649 10 0 AFAERN CS[C@@H]1CCc2ccccc2C1=O 39402319 571927094 /nfs/dbraw/zinc/92/70/94/571927094.db2.gz MVQOUBCUVHZRPD-SNVBAGLBSA-N 0 0 192.283 2.547 10 0 AFAERN C[C@@H](Cc1c[nH]cn1)c1ccccc1 39386827 571927416 /nfs/dbraw/zinc/92/74/16/571927416.db2.gz RIXSQSPZGHVLRC-JTQLQIEISA-N 0 0 186.258 2.756 10 0 AFAERN c1cc2c3c(c[nH]c3c1)CCC2 39401093 571927429 /nfs/dbraw/zinc/92/74/29/571927429.db2.gz GESDFCMCXNVUOI-UHFFFAOYSA-N 0 0 157.216 2.657 10 0 AFAERN COCC(C)(C)Cn1cc(C)cc1C 712682942 571927444 /nfs/dbraw/zinc/92/74/44/571927444.db2.gz BSJAIQNAUWRIQP-UHFFFAOYSA-N 0 0 195.306 2.778 10 0 AFAERN Fc1ccccc1O[C@@H]1CCCCO1 59638464 571927519 /nfs/dbraw/zinc/92/75/19/571927519.db2.gz QLFQCXYLBNOQMJ-LLVKDONJSA-N 0 0 196.221 2.731 10 0 AFAERN CC1(C)CCC2(CC2)C(=O)C1 39399866 571927554 /nfs/dbraw/zinc/92/75/54/571927554.db2.gz IOOZPVSPOXYNOU-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Fc1ccc(O[C@@H]2CCCCO2)cc1 59638482 571927565 /nfs/dbraw/zinc/92/75/65/571927565.db2.gz BCXGGYREBLFCEL-LLVKDONJSA-N 0 0 196.221 2.731 10 0 AFAERN C[C@H](O)/C=C/Sc1ccccc1 39401052 571927577 /nfs/dbraw/zinc/92/75/77/571927577.db2.gz YDPGZDLAFKEWDT-FLOXNTQESA-N 0 0 180.272 2.673 10 0 AFAERN C[C@H]1CC(C)(C)CC(=O)C12CC2 39385509 571927598 /nfs/dbraw/zinc/92/75/98/571927598.db2.gz LAMXUPIICOGZCN-QMMMGPOBSA-N 0 0 166.264 2.792 10 0 AFAERN OC/C=C(/c1cccc(F)c1)C1CC1 687681338 571927677 /nfs/dbraw/zinc/92/76/77/571927677.db2.gz JAVSXRWRGGLBNC-WUXMJOGZSA-N 0 0 192.233 2.611 10 0 AFAERN C[C@H](Cc1c[nH]cn1)c1ccccc1 39386828 571927697 /nfs/dbraw/zinc/92/76/97/571927697.db2.gz RIXSQSPZGHVLRC-SNVBAGLBSA-N 0 0 186.258 2.756 10 0 AFAERN Fc1ccc(O[C@H]2CCCCO2)cc1 59638483 571927714 /nfs/dbraw/zinc/92/77/14/571927714.db2.gz BCXGGYREBLFCEL-NSHDSACASA-N 0 0 196.221 2.731 10 0 AFAERN COC(=O)/C(C)=C/c1cccc(C)c1 687681043 571927718 /nfs/dbraw/zinc/92/77/18/571927718.db2.gz NTAYUTIMSNOCRT-CSKARUKUSA-N 0 0 190.242 2.571 10 0 AFAERN CCCC[C@H](O)[C@@H]1CCC(F)(F)C1 300794054 571927735 /nfs/dbraw/zinc/92/77/35/571927735.db2.gz AAOSNYQEVAYPIB-BDAKNGLRSA-N 0 0 192.249 2.973 10 0 AFAERN c1cc2cnc3sccc3n2c1 39396651 571927765 /nfs/dbraw/zinc/92/77/65/571927765.db2.gz FHIGHEZQZRKYKO-UHFFFAOYSA-N 0 0 174.228 2.549 10 0 AFAERN OC/C=C(/c1ccc(F)cc1)C1CC1 687681341 571927926 /nfs/dbraw/zinc/92/79/26/571927926.db2.gz PRXKIBNNCSEGLU-KPKJPENVSA-N 0 0 192.233 2.611 10 0 AFAERN C/C=C/C[C@@H](O)CCCC 39393838 571927976 /nfs/dbraw/zinc/92/79/76/571927976.db2.gz YNAPJTXCVLTFDB-HYYFJVDXSA-N 0 0 142.242 2.504 10 0 AFAERN CCOCc1cccc2[nH]ccc12 39406751 571928004 /nfs/dbraw/zinc/92/80/04/571928004.db2.gz SFLATSAUCILSFJ-UHFFFAOYSA-N 0 0 175.231 2.704 10 0 AFAERN CO/C=C/c1cc2ccccc2cn1 39427290 571928436 /nfs/dbraw/zinc/92/84/36/571928436.db2.gz HPRDDARZLNDWIN-VOTSOKGWSA-N 0 0 185.226 2.852 10 0 AFAERN Cc1ccn(-c2ccccc2)c1 39397946 571928036 /nfs/dbraw/zinc/92/80/36/571928036.db2.gz UAHOVFOZEICOPL-UHFFFAOYSA-N 0 0 157.216 2.786 10 0 AFAERN CC(C)(C)C(=O)C[C@H]1C=CCC1 39401584 571928047 /nfs/dbraw/zinc/92/80/47/571928047.db2.gz MJXAWZVOCYXNGY-VIFPVBQESA-N 0 0 166.264 2.958 10 0 AFAERN Clc1ccc([C@@H]2CCO2)cc1 39401010 571928096 /nfs/dbraw/zinc/92/80/96/571928096.db2.gz IWIJMPCGMRXYON-VIFPVBQESA-N 0 0 168.623 2.801 10 0 AFAERN CC(C)(O)C(=O)CCC1CCCCC1 300794837 571928132 /nfs/dbraw/zinc/92/81/32/571928132.db2.gz UMYCVLYHBCHCHP-UHFFFAOYSA-N 0 0 198.306 2.687 10 0 AFAERN CC(=O)C[C@H](C)c1ccnn1C(C)C 300790555 571928325 /nfs/dbraw/zinc/92/83/25/571928325.db2.gz UJLCBKADGSDBIU-VIFPVBQESA-N 0 0 194.278 2.547 10 0 AFAERN CCC[C@H](C)C[C@H](CC1(C)CC1)NN 401327076 571930334 /nfs/dbraw/zinc/93/03/34/571930334.db2.gz CTPLIHKQZZHJQA-WDEREUQCSA-N 0 0 198.354 2.835 10 0 AFAERN OCC/C=C/Cc1cccc(Cl)c1 687681995 571928471 /nfs/dbraw/zinc/92/84/71/571928471.db2.gz JSRAKPPZODBLOS-OWOJBTEDSA-N 0 0 196.677 2.821 10 0 AFAERN COC(=O)/C=C\C=C/C1CCCCC1 687681563 571928482 /nfs/dbraw/zinc/92/84/82/571928482.db2.gz CGKZIPYMKRLSTA-OZDSWYPASA-N 0 0 194.274 2.852 10 0 AFAERN Cc1ccc(C)c([C@@H](O)C(C)C)c1O 39420220 571928519 /nfs/dbraw/zinc/92/85/19/571928519.db2.gz ZUMVKJBKBHNCGH-NSHDSACASA-N 0 0 194.274 2.698 10 0 AFAERN CCC(C)(C)CC[C@H]1C(=O)CO[C@H]1C 711258017 571932232 /nfs/dbraw/zinc/93/22/32/571932232.db2.gz WSVDXSQWXSRQGV-VHSXEESVSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)CC(=O)c1ccnn1C(C)C 300793525 571928657 /nfs/dbraw/zinc/92/86/57/571928657.db2.gz VATYQUNDSSXHBG-UHFFFAOYSA-N 0 0 194.278 2.693 10 0 AFAERN O=Cc1cccc(C/C=C/F)c1 39433337 571928700 /nfs/dbraw/zinc/92/87/00/571928700.db2.gz QBQAEJGKFJZPHZ-QHHAFSJGSA-N 0 0 164.179 2.525 10 0 AFAERN C[C@@H]1CCC(=O)Nc2ccccc21 39414457 571928811 /nfs/dbraw/zinc/92/88/11/571928811.db2.gz QKPXZBCOUCASTL-MRVPVSSYSA-N 0 0 175.231 2.522 10 0 AFAERN CCCC[C@@H](O)c1ccnn1C(C)C 300784442 571928813 /nfs/dbraw/zinc/92/88/13/571928813.db2.gz SMSHFNRQPLDDNE-LLVKDONJSA-N 0 0 196.294 2.688 10 0 AFAERN CCOC(=O)C/C=C/c1ccc(C)o1 687681568 571928814 /nfs/dbraw/zinc/92/88/14/571928814.db2.gz OERFPDUTKHSBML-SNAWJCMRSA-N 0 0 194.230 2.554 10 0 AFAERN COC(=O)C/C=C/c1ccc(C)s1 687682002 571933387 /nfs/dbraw/zinc/93/33/87/571933387.db2.gz BWVFAVTVTNUVGL-ONEGZZNKSA-N 0 0 196.271 2.633 10 0 AFAERN CCCC[C@@H](O)[C@@H]1CCC(F)(F)C1 300794067 571928915 /nfs/dbraw/zinc/92/89/15/571928915.db2.gz AAOSNYQEVAYPIB-RKDXNWHRSA-N 0 0 192.249 2.973 10 0 AFAERN CC(C)/C(=C\CO)c1cccc(F)c1 687681577 571929036 /nfs/dbraw/zinc/92/90/36/571929036.db2.gz COKNMJLAQCXWBA-WUXMJOGZSA-N 0 0 194.249 2.857 10 0 AFAERN CCOC(=O)/C=C/C=C(\C)C(C)C 300793255 571929046 /nfs/dbraw/zinc/92/90/46/571929046.db2.gz UHIBVQOCAZHONK-NBANWCDVSA-N 0 0 182.263 2.708 10 0 AFAERN Cc1ccc2nc3ccccc3n2c1 39414386 571929055 /nfs/dbraw/zinc/92/90/55/571929055.db2.gz VOWKCNZFBZCZSC-UHFFFAOYSA-N 0 0 182.226 2.796 10 0 AFAERN CCC1(C(C)=O)CCCCC1 39417428 571929347 /nfs/dbraw/zinc/92/93/47/571929347.db2.gz FXLQCOIQXUITLP-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN COCCC(C)(C)Cn1cccc1 234747904 571929357 /nfs/dbraw/zinc/92/93/57/571929357.db2.gz WAIBCUJVBCRXBB-UHFFFAOYSA-N 0 0 181.279 2.551 10 0 AFAERN CC(=O)C[C@@H](C)c1ccnn1C(C)C 300790549 571929366 /nfs/dbraw/zinc/92/93/66/571929366.db2.gz UJLCBKADGSDBIU-SECBINFHSA-N 0 0 194.278 2.547 10 0 AFAERN CC1(C)CC(=O)c2ccccc2C1 39433794 571929396 /nfs/dbraw/zinc/92/93/96/571929396.db2.gz FSOABSKPUNBUIA-UHFFFAOYSA-N 0 0 174.243 2.842 10 0 AFAERN CCOC(OCC)C1CCCCC1 139076906 571935792 /nfs/dbraw/zinc/93/57/92/571935792.db2.gz AQWRIVDSJKJUER-UHFFFAOYSA-N 0 0 186.295 2.966 10 0 AFAERN CCCC[C@H](O)c1ccnn1C(C)C 300784443 571929554 /nfs/dbraw/zinc/92/95/54/571929554.db2.gz SMSHFNRQPLDDNE-NSHDSACASA-N 0 0 196.294 2.688 10 0 AFAERN CCC1(c2cc(N)no2)CCCCC1 39428832 571929622 /nfs/dbraw/zinc/92/96/22/571929622.db2.gz YLXJXFRWCWNXAR-UHFFFAOYSA-N 0 0 194.278 2.869 10 0 AFAERN CCC[C@@H]1CCCC[C@@]1(C)O 39427409 571929707 /nfs/dbraw/zinc/92/97/07/571929707.db2.gz OAGFNMCHPTVJIZ-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)(C)/C=C/[C@@H](O)C(C)(C)C 39439527 571929715 /nfs/dbraw/zinc/92/97/15/571929715.db2.gz TWLMAJWLUBGUKS-FCZSHJHJSA-N 0 0 170.296 2.996 10 0 AFAERN ClC=Cc1c[nH]c2ncccc12 39473496 571929772 /nfs/dbraw/zinc/92/97/72/571929772.db2.gz CBBURKCLEUPBCY-ONEGZZNKSA-N 0 0 178.622 2.772 10 0 AFAERN CC(C)(C)/C=C/[C@H](O)C(C)(C)C 39439526 571929782 /nfs/dbraw/zinc/92/97/82/571929782.db2.gz TWLMAJWLUBGUKS-FLOXNTQESA-N 0 0 170.296 2.996 10 0 AFAERN Cc1cnccc1-c1ccncc1C 39416026 571929807 /nfs/dbraw/zinc/92/98/07/571929807.db2.gz JNMUQURIAOKWTB-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CCNc1cc(-c2ccccc2)on1 39431970 571929828 /nfs/dbraw/zinc/92/98/28/571929828.db2.gz HWJWNGGOPXHVDX-UHFFFAOYSA-N 0 0 188.230 2.773 10 0 AFAERN CC(C)/C(=C\CO)c1ccc(F)cc1 687681582 571929882 /nfs/dbraw/zinc/92/98/82/571929882.db2.gz QGKXWBKNNNKOMV-KPKJPENVSA-N 0 0 194.249 2.857 10 0 AFAERN CO[C@@H](C)CC[C@H](O)C1=CCCCC1 234747276 571930460 /nfs/dbraw/zinc/93/04/60/571930460.db2.gz MWLIKXZUFLAURT-JQWIXIFHSA-N 0 0 198.306 2.663 10 0 AFAERN C1CCN(NCCC2CCCC2)CC1 300793135 571930114 /nfs/dbraw/zinc/93/01/14/571930114.db2.gz UFFWRVOQFLMYDT-UHFFFAOYSA-N 0 0 196.338 2.557 10 0 AFAERN O=Cc1sc(C=O)c2ccccc12 196160077 571930248 /nfs/dbraw/zinc/93/02/48/571930248.db2.gz TWDMIVYVFKDHMU-UHFFFAOYSA-N 0 0 190.223 2.526 10 0 AFAERN CSCc1ccc(O)c(Cl)c1 39435387 571930284 /nfs/dbraw/zinc/93/02/84/571930284.db2.gz SFSHWTVKYMFBIG-UHFFFAOYSA-N 0 0 188.679 2.909 10 0 AFAERN CC(C)/C(=C\CO)c1ccccc1F 687681575 571930395 /nfs/dbraw/zinc/93/03/95/571930395.db2.gz BIKAHLFYTDHSFP-JXMROGBWSA-N 0 0 194.249 2.857 10 0 AFAERN CCc1cccc(CC)c1OC 39472286 571930401 /nfs/dbraw/zinc/93/04/01/571930401.db2.gz FWWSNTZTRRWPDM-UHFFFAOYSA-N 0 0 164.248 2.820 10 0 AFAERN COC(=O)/C=C/C=C/C1CCCCC1 687681562 571930408 /nfs/dbraw/zinc/93/04/08/571930408.db2.gz CGKZIPYMKRLSTA-NXZHAISVSA-N 0 0 194.274 2.852 10 0 AFAERN CCCCc1c(O)cc(C)cc1O 39414365 571930565 /nfs/dbraw/zinc/93/05/65/571930565.db2.gz ZQAGMWKKYVHQKG-UHFFFAOYSA-N 0 0 180.247 2.749 10 0 AFAERN CC1=C[C@@]2(C)CC(=O)C[C@@]2(C)C1 196158620 571930606 /nfs/dbraw/zinc/93/06/06/571930606.db2.gz LXIRKVOKDAKIPS-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@]12CCCC[C@]1(C)CCC2=O 196158751 571930787 /nfs/dbraw/zinc/93/07/87/571930787.db2.gz JZWYUSFMMFIXEA-GHMZBOCLSA-N 0 0 166.264 2.936 10 0 AFAERN CC1=C[C@@]2(C)CC(=O)C[C@]2(C)C1 196158607 571930624 /nfs/dbraw/zinc/93/06/24/571930624.db2.gz LXIRKVOKDAKIPS-QWRGUYRKSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1ncccc1-c1ccc(N)cc1 39473367 571930626 /nfs/dbraw/zinc/93/06/26/571930626.db2.gz MABPVERTPUSLAZ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN COC(=O)/C=C\c1ccc(C(C)C)o1 687681576 571930668 /nfs/dbraw/zinc/93/06/68/571930668.db2.gz HUDAWSFHZMKABT-ALCCZGGFSA-N 0 0 194.230 2.589 10 0 AFAERN CC1=C[C@@]2(C)CCC(=O)[C@@]2(C)C1 196158534 571930689 /nfs/dbraw/zinc/93/06/89/571930689.db2.gz FHXPSMGUFGEYOB-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN c1ccc(CCc2ccc[nH]2)cc1 39426317 571930821 /nfs/dbraw/zinc/93/08/21/571930821.db2.gz MRGVUWNMTRFDSW-UHFFFAOYSA-N 0 0 171.243 2.800 10 0 AFAERN CC1=C[C@]2(C)CCC(=O)[C@@]2(C)C1 196158529 571930862 /nfs/dbraw/zinc/93/08/62/571930862.db2.gz FHXPSMGUFGEYOB-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=C[C@]2(C)CC(=O)C[C@]2(C)C1 196158597 571930879 /nfs/dbraw/zinc/93/08/79/571930879.db2.gz LXIRKVOKDAKIPS-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@]12CCCC[C@]1(C)C(=O)CC2 196158748 571930891 /nfs/dbraw/zinc/93/08/91/571930891.db2.gz JZWYUSFMMFIXEA-WDEREUQCSA-N 0 0 166.264 2.936 10 0 AFAERN CC1=C[C@]2(C)C(=O)CC[C@@]2(C)C1 196158551 571930961 /nfs/dbraw/zinc/93/09/61/571930961.db2.gz WDTSAXQUFZCEHE-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=C[C@]2(C)C(=O)CC[C@]2(C)C1 196158542 571930996 /nfs/dbraw/zinc/93/09/96/571930996.db2.gz WDTSAXQUFZCEHE-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=C[C@@]2(C)CCC(=O)[C@]2(C)C1 196158523 571931065 /nfs/dbraw/zinc/93/10/65/571931065.db2.gz FHXPSMGUFGEYOB-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN CC1=C[C@@]2(C)C(=O)CC[C@]2(C)C1 196158546 571931088 /nfs/dbraw/zinc/93/10/88/571931088.db2.gz WDTSAXQUFZCEHE-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN O=Cc1ccc(C/C=C/Cl)cc1 39433334 571931142 /nfs/dbraw/zinc/93/11/42/571931142.db2.gz OLESJBNSIDNEHK-LREOWRDNSA-N 0 0 180.634 2.794 10 0 AFAERN CC1=C[C@]2(C)CC(=O)C[C@@]2(C)C1 196158614 571931143 /nfs/dbraw/zinc/93/11/43/571931143.db2.gz LXIRKVOKDAKIPS-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN CCc1occc1[C@@H](O)c1ccco1 234273192 571931470 /nfs/dbraw/zinc/93/14/70/571931470.db2.gz VKASGDBFWPNRKR-LLVKDONJSA-N 0 0 192.214 2.517 10 0 AFAERN C[C@H](O)c1cccn1CC(C)(C)C 713132990 571931488 /nfs/dbraw/zinc/93/14/88/571931488.db2.gz VVXAYSJWVBQNEM-VIFPVBQESA-N 0 0 181.279 2.588 10 0 AFAERN C[C@@H](O)c1cccn1CC(C)(C)C 713132981 571931530 /nfs/dbraw/zinc/93/15/30/571931530.db2.gz VVXAYSJWVBQNEM-SECBINFHSA-N 0 0 181.279 2.588 10 0 AFAERN CC1(C)CC(=O)CC(C)(C)P1 39593591 571931555 /nfs/dbraw/zinc/93/15/55/571931555.db2.gz ZJDNAQRUUYRJLW-UHFFFAOYSA-N 0 0 172.208 2.585 10 0 AFAERN CCC(C)(C)CC(=O)[C@H](C)[NH2+]C1CC1 713132603 571931735 /nfs/dbraw/zinc/93/17/35/571931735.db2.gz OVJQAEXLARNJBO-VIFPVBQESA-N 0 0 197.322 2.522 10 0 AFAERN O=Cc1ccn(CCC2CCCC2)c1 300797957 571931772 /nfs/dbraw/zinc/93/17/72/571931772.db2.gz UYGCUYUPHAQEKC-UHFFFAOYSA-N 0 0 191.274 2.881 10 0 AFAERN C[C@@H](Cn1ccc(=O)cc1)C(C)(C)C 711249649 571931942 /nfs/dbraw/zinc/93/19/42/571931942.db2.gz PQYMWRLJBJBZRU-JTQLQIEISA-N 0 0 193.290 2.531 10 0 AFAERN Cc1ccc(C)n1CCOCC1CC1 235777890 571932420 /nfs/dbraw/zinc/93/24/20/571932420.db2.gz HXEIIWSFJNMZHY-UHFFFAOYSA-N 0 0 193.290 2.532 10 0 AFAERN C[C@@H]1C(=O)CCC[C@H]1C(=O)C(C)(C)C 148266333 571932136 /nfs/dbraw/zinc/93/21/36/571932136.db2.gz SLSGYCILEUOYDP-DTWKUNHWSA-N 0 0 196.290 2.607 10 0 AFAERN CC1=CCC(C)(C)CC(=O)[C@H]1C 39617115 571932424 /nfs/dbraw/zinc/93/24/24/571932424.db2.gz RDJNUAZSPNGTAM-VIFPVBQESA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)N(C(=O)C(C)(C)C)C(C)C 3075300 571932272 /nfs/dbraw/zinc/93/22/72/571932272.db2.gz WBDSPWDNJYQQDT-UHFFFAOYSA-N 0 0 185.311 2.678 10 0 AFAERN CCC(=O)COC[C@@H]1CCC[C@H](C)C1 300797673 571932820 /nfs/dbraw/zinc/93/28/20/571932820.db2.gz VTQIQRGAXDQYHU-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H](O)CC/C=C\[Si](C)(C)C 216732065 571932857 /nfs/dbraw/zinc/93/28/57/571932857.db2.gz SEXUBFBLEYQZEF-UJICNMFASA-N 0 0 186.371 2.971 10 0 AFAERN C/C(=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)[C@H](C)O 687731311 571932860 /nfs/dbraw/zinc/93/28/60/571932860.db2.gz LUAIZEQJXRXHQC-AYPJEQGMSA-N 0 0 178.275 2.526 10 0 AFAERN CCC(C)(C)CC[C@@H]1C(=O)CO[C@H]1C 711258015 571932908 /nfs/dbraw/zinc/93/29/08/571932908.db2.gz WSVDXSQWXSRQGV-UWVGGRQHSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ncc([C@](C)(O)CC(C)C)s1 687898979 571933234 /nfs/dbraw/zinc/93/32/34/571933234.db2.gz AMOLFBHGEJUCFD-SNVBAGLBSA-N 0 0 199.319 2.705 10 0 AFAERN C1=CCOc2ccccc2CC1 687809002 571933283 /nfs/dbraw/zinc/93/32/83/571933283.db2.gz QPIPAAAXDCKEAA-UHFFFAOYSA-N 0 0 160.216 2.568 10 0 AFAERN O=C1CCCCCc2ccccc2N1 39613492 571933316 /nfs/dbraw/zinc/93/33/16/571933316.db2.gz NBPVBMINVXYINT-UHFFFAOYSA-N 0 0 189.258 2.742 10 0 AFAERN CCO[C@H](C)C(=O)CCC1CCCC1 300798661 571933620 /nfs/dbraw/zinc/93/36/20/571933620.db2.gz VCFLLQJSKWXULP-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN C/C(=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)[C@@H](C)O 687731312 571933635 /nfs/dbraw/zinc/93/36/35/571933635.db2.gz LUAIZEQJXRXHQC-SBXSGNEBSA-N 0 0 178.275 2.526 10 0 AFAERN Cc1c([C@@H](C)O)[nH]c2ccccc12 39603842 571933683 /nfs/dbraw/zinc/93/36/83/571933683.db2.gz FEHAUJXQLWRRRH-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN CSC[C@H](C)C(=O)CC(C)(C)C 300790025 571933691 /nfs/dbraw/zinc/93/36/91/571933691.db2.gz XRCVUGMSKAVGTO-QMMMGPOBSA-N 0 0 188.336 2.991 10 0 AFAERN CC(C)(C)[C@H](CO)c1ccccc1 39477269 571933774 /nfs/dbraw/zinc/93/37/74/571933774.db2.gz VPFKKHDJALWDDY-LLVKDONJSA-N 0 0 178.275 2.809 10 0 AFAERN C/C=C/CNc1ccccc1COC 234751417 571933812 /nfs/dbraw/zinc/93/38/12/571933812.db2.gz CVOSFAYPDSPUAZ-ONEGZZNKSA-N 0 0 191.274 2.821 10 0 AFAERN C[C@H](Cn1ccc(=O)cc1)C(C)(C)C 711249656 571933825 /nfs/dbraw/zinc/93/38/25/571933825.db2.gz PQYMWRLJBJBZRU-SNVBAGLBSA-N 0 0 193.290 2.531 10 0 AFAERN CCC(C)(C)CC[C@@H]1C(=O)CO[C@@H]1C 711258019 571933836 /nfs/dbraw/zinc/93/38/36/571933836.db2.gz WSVDXSQWXSRQGV-ZJUUUORDSA-N 0 0 198.306 2.807 10 0 AFAERN CSC[C@@H](C)C(=O)CC(C)(C)C 300790023 571933879 /nfs/dbraw/zinc/93/38/79/571933879.db2.gz XRCVUGMSKAVGTO-MRVPVSSYSA-N 0 0 188.336 2.991 10 0 AFAERN Cc1c([C@H](C)O)[nH]c2ccccc12 39603844 571934025 /nfs/dbraw/zinc/93/40/25/571934025.db2.gz FEHAUJXQLWRRRH-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN Cc1ncc([C@@](C)(O)CC(C)C)s1 687898978 571934027 /nfs/dbraw/zinc/93/40/27/571934027.db2.gz AMOLFBHGEJUCFD-JTQLQIEISA-N 0 0 199.319 2.705 10 0 AFAERN CC(C)(C)[C@@H](CO)c1ccccc1 39477267 571934035 /nfs/dbraw/zinc/93/40/35/571934035.db2.gz VPFKKHDJALWDDY-NSHDSACASA-N 0 0 178.275 2.809 10 0 AFAERN CCO[C@@H](C)C(=O)CCC1CCCC1 300798660 571934156 /nfs/dbraw/zinc/93/41/56/571934156.db2.gz VCFLLQJSKWXULP-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN OC/C=C/SC1CCCCC1 39603579 571934226 /nfs/dbraw/zinc/93/42/26/571934226.db2.gz PUXFOHZRQOLDNS-XBXARRHUSA-N 0 0 172.293 2.558 10 0 AFAERN Clc1ncccc1-c1ccccn1 39477156 571934410 /nfs/dbraw/zinc/93/44/10/571934410.db2.gz NDHPSUWETNBNEZ-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN CCc1cccc(CSC)c1N 39616742 571934488 /nfs/dbraw/zinc/93/44/88/571934488.db2.gz IGQFBMLTVZRQSQ-UHFFFAOYSA-N 0 0 181.304 2.694 10 0 AFAERN CCc1occc1[C@@H](O)c1ccoc1 234273296 571934579 /nfs/dbraw/zinc/93/45/79/571934579.db2.gz SPTJBVBQKYMJQH-NSHDSACASA-N 0 0 192.214 2.517 10 0 AFAERN OCC/C=C/Cc1ccc(Cl)cc1 687681997 571934597 /nfs/dbraw/zinc/93/45/97/571934597.db2.gz OBZABWBLDRXCSK-OWOJBTEDSA-N 0 0 196.677 2.821 10 0 AFAERN CCC(=O)COC[C@H]1CCC[C@H](C)C1 300797672 571934688 /nfs/dbraw/zinc/93/46/88/571934688.db2.gz VTQIQRGAXDQYHU-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CCC(C)(C)CC[C@H]1C(=O)CO[C@@H]1C 711258012 571934824 /nfs/dbraw/zinc/93/48/24/571934824.db2.gz WSVDXSQWXSRQGV-NXEZZACHSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@H]1CC[C@@]2(C)CCCC(=O)[C@H]12 39650776 571934859 /nfs/dbraw/zinc/93/48/59/571934859.db2.gz HBHZKSWLDKIWAT-INTQDDNPSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cnccc1-c1cccc(N)c1 39642885 571934880 /nfs/dbraw/zinc/93/48/80/571934880.db2.gz RBQLZXGSNYUPSO-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Oc1ccc(CCC(F)(F)F)cc1 39643190 571934928 /nfs/dbraw/zinc/93/49/28/571934928.db2.gz JSBATMDYLPVVSP-UHFFFAOYSA-N 0 0 190.164 2.887 10 0 AFAERN CC1=C[C@H]2[C@@H](C[C@@H]1[C@@H](C)O)C2(C)C 39647896 571935014 /nfs/dbraw/zinc/93/50/14/571935014.db2.gz BOLINPLOSJXBAC-VPOLOUISSA-N 0 0 180.291 2.606 10 0 AFAERN C[C@@]12CCCC(=O)[C@H]1CCC2 39650773 571935118 /nfs/dbraw/zinc/93/51/18/571935118.db2.gz FFUDPYOCQXOTSL-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN c1ccc2c[pH]cc2c1 79407937 571935223 /nfs/dbraw/zinc/93/52/23/571935223.db2.gz AJMWCFROLSOPQL-UHFFFAOYSA-N 0 0 134.118 2.871 10 0 AFAERN CC1=C[C@@H]2[C@H](C[C@@H]1[C@@H](C)O)C2(C)C 39647895 571935254 /nfs/dbraw/zinc/93/52/54/571935254.db2.gz BOLINPLOSJXBAC-YTWAJWBKSA-N 0 0 180.291 2.606 10 0 AFAERN Cc1cccc2c1cc(C)n2C 39643740 571935496 /nfs/dbraw/zinc/93/54/96/571935496.db2.gz XMFSCQBZYVHVAC-UHFFFAOYSA-N 0 0 159.232 2.795 10 0 AFAERN CCOCCC(=O)CCC1CCCC1 300801088 571935652 /nfs/dbraw/zinc/93/56/52/571935652.db2.gz VKBLOUIRYOVWEL-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CCCc1cccc(Cl)c1O 39647381 571935719 /nfs/dbraw/zinc/93/57/19/571935719.db2.gz XRGVNSZUYDRHJA-UHFFFAOYSA-N 0 0 170.639 2.998 10 0 AFAERN CCc1cnc(Cn2cccc2)s1 234276506 571935749 /nfs/dbraw/zinc/93/57/49/571935749.db2.gz ZAMHMFAYZGTKBA-UHFFFAOYSA-N 0 0 192.287 2.555 10 0 AFAERN Cc1csc2c(F)cc(N)cc12 39629023 571935753 /nfs/dbraw/zinc/93/57/53/571935753.db2.gz JBKPFFJNNXMKHV-UHFFFAOYSA-N 0 0 181.235 2.931 10 0 AFAERN C/C=C/CCCCC(C)=O 39650798 571935825 /nfs/dbraw/zinc/93/58/25/571935825.db2.gz BVFKXQAHOOYKPK-ONEGZZNKSA-N 0 0 140.226 2.712 10 0 AFAERN C[C@@H]1CCC(=O)c2ccccc2C1 39650970 571936216 /nfs/dbraw/zinc/93/62/16/571936216.db2.gz XAKWFWPAOYGYDK-SECBINFHSA-N 0 0 174.243 2.842 10 0 AFAERN Cc1c2c(nc3ccccc13)CCCO2 39120830 571939909 /nfs/dbraw/zinc/93/99/09/571939909.db2.gz KAHFPFGQHAXISA-UHFFFAOYSA-N 0 0 199.253 2.868 10 0 AFAERN Cc1ccc2c(O)ccc(O)c2c1 39629620 571936410 /nfs/dbraw/zinc/93/64/10/571936410.db2.gz DGOFJFWCOHWYQR-UHFFFAOYSA-N 0 0 174.199 2.559 10 0 AFAERN C[C@H]1CCC(=O)c2ccccc2C1 39650971 571936483 /nfs/dbraw/zinc/93/64/83/571936483.db2.gz XAKWFWPAOYGYDK-VIFPVBQESA-N 0 0 174.243 2.842 10 0 AFAERN C[C@@]12CCCC(=O)[C@@H]1CCC2 39650774 571936504 /nfs/dbraw/zinc/93/65/04/571936504.db2.gz FFUDPYOCQXOTSL-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN CCCC/C=C/C[C@@H](C)O 39641574 571936527 /nfs/dbraw/zinc/93/65/27/571936527.db2.gz KZFRLUUJSFZTAC-XCODYQFDSA-N 0 0 142.242 2.504 10 0 AFAERN C[C@](O)(c1ccccc1)c1ccco1 39644581 571936534 /nfs/dbraw/zinc/93/65/34/571936534.db2.gz KLVTUDPCLVZPGY-LBPRGKRZSA-N 0 0 188.226 2.535 10 0 AFAERN CCCC/C=C/C[C@H](C)O 39641576 571936664 /nfs/dbraw/zinc/93/66/64/571936664.db2.gz KZFRLUUJSFZTAC-UCUJLANTSA-N 0 0 142.242 2.504 10 0 AFAERN C[C@@](O)(c1ccccc1)c1ccco1 39644580 571936781 /nfs/dbraw/zinc/93/67/81/571936781.db2.gz KLVTUDPCLVZPGY-GFCCVEGCSA-N 0 0 188.226 2.535 10 0 AFAERN C[C@]12CCCC(=O)[C@H]1CCC2 39650772 571936812 /nfs/dbraw/zinc/93/68/12/571936812.db2.gz FFUDPYOCQXOTSL-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN Oc1ccccc1CCC(F)(F)F 39643189 571936832 /nfs/dbraw/zinc/93/68/32/571936832.db2.gz QRGBBXPDHHLGAQ-UHFFFAOYSA-N 0 0 190.164 2.887 10 0 AFAERN C[C@@H]1CC[C@@]2(C)CCCC(=O)[C@@H]12 39650775 571936859 /nfs/dbraw/zinc/93/68/59/571936859.db2.gz HBHZKSWLDKIWAT-FBIMIBRVSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc(C)c2ccn(C)c2c1 39643741 571937155 /nfs/dbraw/zinc/93/71/55/571937155.db2.gz DJMWHGHSHOEXCI-UHFFFAOYSA-N 0 0 159.232 2.795 10 0 AFAERN Cc1ccc(-c2cccc(N)c2)cn1 39642890 571937270 /nfs/dbraw/zinc/93/72/70/571937270.db2.gz OXFYXBFIGCNQNE-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN OCCC1CCCCCCC1 39643786 571937342 /nfs/dbraw/zinc/93/73/42/571937342.db2.gz RKASTVFCFAUCIG-UHFFFAOYSA-N 0 0 156.269 2.729 10 0 AFAERN CSC[C@@H](C)C(=O)[C@@H]1[C@H]2CCC[C@H]21 300802227 571937373 /nfs/dbraw/zinc/93/73/73/571937373.db2.gz DBGQHRFZRYTJBA-IMSYWVGJSA-N 0 0 198.331 2.601 10 0 AFAERN C[C@H]1CCN(c2ccccc2)C1 34621832 571937617 /nfs/dbraw/zinc/93/76/17/571937617.db2.gz FYFLGWKKTLJHKW-JTQLQIEISA-N 0 0 161.248 2.533 10 0 AFAERN O=Nc1ccc(Cl)cc1O 687809996 571937769 /nfs/dbraw/zinc/93/77/69/571937769.db2.gz RKDJSNBUOJJALB-UHFFFAOYSA-N 0 0 156.548 2.882 10 0 AFAERN CCc1occc1[C@H](O)C(C)C 234293604 571937834 /nfs/dbraw/zinc/93/78/34/571937834.db2.gz DDNNFTDNAXWNGD-SNVBAGLBSA-N 0 0 168.236 2.531 10 0 AFAERN CSC[C@H](C)C(=O)[C@@H]1[C@H]2CCC[C@H]21 300802224 571938046 /nfs/dbraw/zinc/93/80/46/571938046.db2.gz DBGQHRFZRYTJBA-AXTSPUMRSA-N 0 0 198.331 2.601 10 0 AFAERN C[C@@H]1CCC[C@]1(O)CC(C)(C)C 713134198 571938085 /nfs/dbraw/zinc/93/80/85/571938085.db2.gz FKVJRSMSANHKSK-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN C=Cc1ccc2ccc([C@@H](C)O)cc2n1 221218466 571938127 /nfs/dbraw/zinc/93/81/27/571938127.db2.gz SFVJWYRCBXLAHJ-SECBINFHSA-N 0 0 199.253 2.931 10 0 AFAERN ONc1cc(Cl)cc(Cl)c1 139096369 571938144 /nfs/dbraw/zinc/93/81/44/571938144.db2.gz LBFDAACXWGTMIX-UHFFFAOYSA-N 0 0 178.018 2.795 10 0 AFAERN C[C@H]1CCC[C@@]1(O)CC(C)(C)C 713134197 571938227 /nfs/dbraw/zinc/93/82/27/571938227.db2.gz FKVJRSMSANHKSK-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C\[C@H](C)[C@H](O)c1ccccc1 34622058 571938257 /nfs/dbraw/zinc/93/82/57/571938257.db2.gz STFSCXLAERQKEO-NLHADFPOSA-N 0 0 176.259 2.932 10 0 AFAERN CC(C)CCSc1cccc(=O)[nH]1 39117112 571938325 /nfs/dbraw/zinc/93/83/25/571938325.db2.gz DMQYAYIAHJQHQH-UHFFFAOYSA-N 0 0 197.303 2.925 10 0 AFAERN CC(C)OCCCC(=O)c1ccoc1 689427622 571938350 /nfs/dbraw/zinc/93/83/50/571938350.db2.gz GIFGKNHUVDOVEZ-UHFFFAOYSA-N 0 0 196.246 2.668 10 0 AFAERN CCN(C(=O)OCC(C)C)C(C)C 39126035 571938526 /nfs/dbraw/zinc/93/85/26/571938526.db2.gz UTSHQTVODCXNBT-UHFFFAOYSA-N 0 0 187.283 2.509 10 0 AFAERN CCCC(=O)c1cc(C)c(C)cc1O 207410681 571938533 /nfs/dbraw/zinc/93/85/33/571938533.db2.gz HBAFHVUFCYDAIU-UHFFFAOYSA-N 0 0 192.258 2.992 10 0 AFAERN C=C=C(C)[C@H](O)CCCCC 214636537 571938560 /nfs/dbraw/zinc/93/85/60/571938560.db2.gz RZARQLXTMGNMIT-SNVBAGLBSA-N 0 0 154.253 2.659 10 0 AFAERN C[C@@H]1CCC[C@@]1(O)CC(C)(C)C 713134200 571938994 /nfs/dbraw/zinc/93/89/94/571938994.db2.gz FKVJRSMSANHKSK-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1occc1[C@H](O)C1CCC1 234293690 571939093 /nfs/dbraw/zinc/93/90/93/571939093.db2.gz KFOHSJMCDXOTIS-LLVKDONJSA-N 0 0 180.247 2.676 10 0 AFAERN C[C@@H]1CCN(c2ccccc2)C1 34621831 571939198 /nfs/dbraw/zinc/93/91/98/571939198.db2.gz FYFLGWKKTLJHKW-SNVBAGLBSA-N 0 0 161.248 2.533 10 0 AFAERN Cc1ccc2ccc(C)c(O)c2c1O 39119086 571939395 /nfs/dbraw/zinc/93/93/95/571939395.db2.gz JEDCLPLCNCYUMA-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN CC(C)CCCCc1ncc[nH]1 113836214 571939401 /nfs/dbraw/zinc/93/94/01/571939401.db2.gz RMLMKERALPCDOR-UHFFFAOYSA-N 0 0 166.268 2.779 10 0 AFAERN CCc1occc1[C@H](O)c1ccoc1 234299423 571939482 /nfs/dbraw/zinc/93/94/82/571939482.db2.gz SPTJBVBQKYMJQH-LLVKDONJSA-N 0 0 192.214 2.517 10 0 AFAERN CCc1occc1[C@H](O)C=C(C)C 234293750 571939837 /nfs/dbraw/zinc/93/98/37/571939837.db2.gz BTZWCUZWAMUXGG-SNVBAGLBSA-N 0 0 180.247 2.842 10 0 AFAERN CC(C)C(C)(C)Cc1cccnc1N 713138954 571939855 /nfs/dbraw/zinc/93/98/55/571939855.db2.gz HOYGWGHYIXOMHR-UHFFFAOYSA-N 0 0 192.306 2.889 10 0 AFAERN CC(C)OCCCC(=O)c1ccco1 689428308 571940141 /nfs/dbraw/zinc/94/01/41/571940141.db2.gz IEJIZRGOYAXUSF-UHFFFAOYSA-N 0 0 196.246 2.668 10 0 AFAERN CCCC(=O)C(O)(CCC)CCC 200045465 571940286 /nfs/dbraw/zinc/94/02/86/571940286.db2.gz CAZNGNZEWSEPIA-UHFFFAOYSA-N 0 0 186.295 2.687 10 0 AFAERN CCc1occc1[C@H](O)c1ccco1 234299327 571940322 /nfs/dbraw/zinc/94/03/22/571940322.db2.gz VKASGDBFWPNRKR-NSHDSACASA-N 0 0 192.214 2.517 10 0 AFAERN CCCC[C@H](CC)COC1(C)C[NH2+]C1 214655186 571940343 /nfs/dbraw/zinc/94/03/43/571940343.db2.gz PQCCYQGNXZEQMP-NSHDSACASA-N 0 0 199.338 2.581 10 0 AFAERN C[C@H]1CCC[C@]1(O)CC(C)(C)C 713134202 571940540 /nfs/dbraw/zinc/94/05/40/571940540.db2.gz FKVJRSMSANHKSK-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCCC(C)(C)NC(=O)OC 39126373 571940588 /nfs/dbraw/zinc/94/05/88/571940588.db2.gz AFVYRKACDTYVIF-UHFFFAOYSA-N 0 0 187.283 2.701 10 0 AFAERN CC[C@@H](CC(F)F)CC1(CO)CC1 687900784 571941171 /nfs/dbraw/zinc/94/11/71/571941171.db2.gz MIJKVNHUCZUXQY-QMMMGPOBSA-N 0 0 192.249 2.830 10 0 AFAERN CCC1([C@H](O)c2ccc(C)nc2)CC1 687684445 571940704 /nfs/dbraw/zinc/94/07/04/571940704.db2.gz YUKURESALRVARU-LLVKDONJSA-N 0 0 191.274 2.614 10 0 AFAERN CCC(C)(C)Sc1ccc(N)cn1 39123089 571940759 /nfs/dbraw/zinc/94/07/59/571940759.db2.gz RALADYUKBPOYDF-UHFFFAOYSA-N 0 0 196.319 2.945 10 0 AFAERN CCCC[C@@H](CC)COC1(C)C[NH2+]C1 214655131 571940821 /nfs/dbraw/zinc/94/08/21/571940821.db2.gz PQCCYQGNXZEQMP-LLVKDONJSA-N 0 0 199.338 2.581 10 0 AFAERN CC[C@H](CC(F)F)CC1(CO)CC1 687900782 571941182 /nfs/dbraw/zinc/94/11/82/571941182.db2.gz MIJKVNHUCZUXQY-MRVPVSSYSA-N 0 0 192.249 2.830 10 0 AFAERN CC(C)(C)CC(F)(F)F 113839636 571940906 /nfs/dbraw/zinc/94/09/06/571940906.db2.gz GQOKUXSBHMWWGX-UHFFFAOYSA-N 0 0 140.148 2.985 10 0 AFAERN CCCOCC[C@@H](O)CC(C)(C)C 713136702 571941016 /nfs/dbraw/zinc/94/10/16/571941016.db2.gz NMAJVPXPYSOTPS-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CCCOCC[C@H](O)CC(C)(C)C 713136697 571941029 /nfs/dbraw/zinc/94/10/29/571941029.db2.gz NMAJVPXPYSOTPS-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN CCCCOCCCCC(=O)CC 70739267 571941127 /nfs/dbraw/zinc/94/11/27/571941127.db2.gz ZSVPJGHRFOUZPK-UHFFFAOYSA-N 0 0 186.295 2.953 10 0 AFAERN CCOc1cccc2oc(CC)nc12 520865942 571941204 /nfs/dbraw/zinc/94/12/04/571941204.db2.gz PDQFMDHBRSUSSB-UHFFFAOYSA-N 0 0 191.230 2.789 10 0 AFAERN COC[C@@H](C)[C@@H](O)CC1=CCCCC1 687684469 571941210 /nfs/dbraw/zinc/94/12/10/571941210.db2.gz JAUUHZIARTXDOA-PWSUYJOCSA-N 0 0 198.306 2.520 10 0 AFAERN COC(=O)N(C(C)(C)C)C(C)(C)C 39126264 571941275 /nfs/dbraw/zinc/94/12/75/571941275.db2.gz KNYZBSWEEBAXIM-UHFFFAOYSA-N 0 0 187.283 2.652 10 0 AFAERN CC(C)(C)c1ccc(OC#N)cc1 139275508 571941420 /nfs/dbraw/zinc/94/14/20/571941420.db2.gz RTFKTGCPZFNXDW-UHFFFAOYSA-N 0 0 175.231 2.844 10 0 AFAERN COC[C@H](C)[C@H](O)CC1=CCCCC1 687684467 571941465 /nfs/dbraw/zinc/94/14/65/571941465.db2.gz JAUUHZIARTXDOA-CMPLNLGQSA-N 0 0 198.306 2.520 10 0 AFAERN CC(C)(C)CCCc1c[nH]cn1 39132551 571941495 /nfs/dbraw/zinc/94/14/95/571941495.db2.gz HUTHIFYAEWJBFN-UHFFFAOYSA-N 0 0 166.268 2.779 10 0 AFAERN COC[C@@H](C)[C@H](O)CC1=CCCCC1 687684470 571942241 /nfs/dbraw/zinc/94/22/41/571942241.db2.gz JAUUHZIARTXDOA-ZYHUDNBSSA-N 0 0 198.306 2.520 10 0 AFAERN CCCC[C@H]1CCCCN1C(C)=O 39125868 571941799 /nfs/dbraw/zinc/94/17/99/571941799.db2.gz NRULTSPWIKOLCZ-NSHDSACASA-N 0 0 183.295 2.578 10 0 AFAERN CSCCC[C@H](O)CC(C)(C)C 713146019 571941803 /nfs/dbraw/zinc/94/18/03/571941803.db2.gz PJZQSFUPCSYQJU-VIFPVBQESA-N 0 0 190.352 2.927 10 0 AFAERN CCC1([C@@H](O)c2ccc(C)nc2)CC1 687684447 571942514 /nfs/dbraw/zinc/94/25/14/571942514.db2.gz YUKURESALRVARU-NSHDSACASA-N 0 0 191.274 2.614 10 0 AFAERN CCC(C)(C)CS[C@H](C)CCO 713145250 571941883 /nfs/dbraw/zinc/94/18/83/571941883.db2.gz HEVKVGUSOMQCLK-SECBINFHSA-N 0 0 190.352 2.927 10 0 AFAERN CO[C@@H](C)C(=O)CCCC(C)(C)C 300807752 571941983 /nfs/dbraw/zinc/94/19/83/571941983.db2.gz FLICFHJIPNITCP-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN CCC(C)(C)CS[C@@H](C)[C@H](C)O 713144910 571942018 /nfs/dbraw/zinc/94/20/18/571942018.db2.gz DHBIXMXSKGFXIZ-IUCAKERBSA-N 0 0 190.352 2.925 10 0 AFAERN CSCCC[C@@H](O)CC(C)(C)C 713146016 571942169 /nfs/dbraw/zinc/94/21/69/571942169.db2.gz PJZQSFUPCSYQJU-SECBINFHSA-N 0 0 190.352 2.927 10 0 AFAERN COC[C@H](C)[C@@H](O)CC1=CCCCC1 687684468 571942116 /nfs/dbraw/zinc/94/21/16/571942116.db2.gz JAUUHZIARTXDOA-JQWIXIFHSA-N 0 0 198.306 2.520 10 0 AFAERN Cc1c[nH]c2cc(Cl)ncc12 520851888 571942370 /nfs/dbraw/zinc/94/23/70/571942370.db2.gz YZWUMIJNINKDSI-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN CCC(C)(C)CS[C@@H](C)CCO 713145251 571942633 /nfs/dbraw/zinc/94/26/33/571942633.db2.gz HEVKVGUSOMQCLK-VIFPVBQESA-N 0 0 190.352 2.927 10 0 AFAERN C/C=C\CCCC(=O)CC 79036117 571942693 /nfs/dbraw/zinc/94/26/93/571942693.db2.gz XLFAXORWNLPOEK-HYXAFXHYSA-N 0 0 140.226 2.712 10 0 AFAERN CC(C)(C)C[C@H](NN)C1CC(C)(C)C1 713145219 571942823 /nfs/dbraw/zinc/94/28/23/571942823.db2.gz GNUWBOISMTUCSX-JTQLQIEISA-N 0 0 198.354 2.691 10 0 AFAERN CCC(C)(C)CS[C@@H](C)[C@@H](C)O 713144904 571942781 /nfs/dbraw/zinc/94/27/81/571942781.db2.gz DHBIXMXSKGFXIZ-BDAKNGLRSA-N 0 0 190.352 2.925 10 0 AFAERN C[C@H](O)[C@H](C)c1cnc(C2CC2)s1 687926298 571942797 /nfs/dbraw/zinc/94/27/97/571942797.db2.gz VGPYIWJVKYBSJM-BQBZGAKWSA-N 0 0 197.303 2.505 10 0 AFAERN CC(C)(C)C[C@@H](O)[C@H]1CCSC1 713145206 571943186 /nfs/dbraw/zinc/94/31/86/571943186.db2.gz GJLWNRFTBDAJDR-DTWKUNHWSA-N 0 0 188.336 2.537 10 0 AFAERN CCC(C)(C)CS[C@H](C)[C@H](C)O 713144906 571942940 /nfs/dbraw/zinc/94/29/40/571942940.db2.gz DHBIXMXSKGFXIZ-DTWKUNHWSA-N 0 0 190.352 2.925 10 0 AFAERN C[C@@H](O)[C@@H](C)c1cnc(C2CC2)s1 687926306 571942944 /nfs/dbraw/zinc/94/29/44/571942944.db2.gz VGPYIWJVKYBSJM-RNFRBKRXSA-N 0 0 197.303 2.505 10 0 AFAERN CC(C)(C)C[C@H](O)[C@H]1CCSC1 713145209 571943189 /nfs/dbraw/zinc/94/31/89/571943189.db2.gz GJLWNRFTBDAJDR-IUCAKERBSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)(C)C[C@@H](NN)C1CC(C)(C)C1 713145221 571943212 /nfs/dbraw/zinc/94/32/12/571943212.db2.gz GNUWBOISMTUCSX-SNVBAGLBSA-N 0 0 198.354 2.691 10 0 AFAERN CCOCC[C@H](O)CC1=CCCCC1 687685211 571943241 /nfs/dbraw/zinc/94/32/41/571943241.db2.gz OGHIHPLVVWFDNT-LBPRGKRZSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@H](c1cnc(C2CC2)s1)[C@@H](C)O 687926304 571943420 /nfs/dbraw/zinc/94/34/20/571943420.db2.gz VGPYIWJVKYBSJM-NKWVEPMBSA-N 0 0 197.303 2.505 10 0 AFAERN CO[C@H](C)C(=O)CCCC(C)(C)C 300807749 571944277 /nfs/dbraw/zinc/94/42/77/571944277.db2.gz FLICFHJIPNITCP-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)C(C)(C)CS[C@H](C)CO 713145871 571943560 /nfs/dbraw/zinc/94/35/60/571943560.db2.gz NWXQJFKGMLSRJA-SECBINFHSA-N 0 0 190.352 2.783 10 0 AFAERN CCC(C)(C)CS[C@H](C)[C@@H](C)O 713144912 571943618 /nfs/dbraw/zinc/94/36/18/571943618.db2.gz DHBIXMXSKGFXIZ-RKDXNWHRSA-N 0 0 190.352 2.925 10 0 AFAERN CC(C)(C)C[C@H](O)[C@@H]1CCSC1 713145205 571943647 /nfs/dbraw/zinc/94/36/47/571943647.db2.gz GJLWNRFTBDAJDR-BDAKNGLRSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@H](O)[C@@H](C)c1cnc(C2CC2)s1 687926308 571943858 /nfs/dbraw/zinc/94/38/58/571943858.db2.gz VGPYIWJVKYBSJM-RQJHMYQMSA-N 0 0 197.303 2.505 10 0 AFAERN CCOC(=O)N1CCC[C@@H](CC)CC1 79053978 571943867 /nfs/dbraw/zinc/94/38/67/571943867.db2.gz HTNUJORUPWBOPK-SNVBAGLBSA-N 0 0 199.294 2.655 10 0 AFAERN CCCC[C@@H]1CCCCN1C(C)=O 39125867 571943868 /nfs/dbraw/zinc/94/38/68/571943868.db2.gz NRULTSPWIKOLCZ-LLVKDONJSA-N 0 0 183.295 2.578 10 0 AFAERN CCC[C@](O)(CC)c1cnc(C)s1 687903226 571943946 /nfs/dbraw/zinc/94/39/46/571943946.db2.gz MOVXCPOCEAGCNP-SNVBAGLBSA-N 0 0 199.319 2.849 10 0 AFAERN CCOCC[C@@H](O)CC1=CCCCC1 687685210 571944113 /nfs/dbraw/zinc/94/41/13/571944113.db2.gz OGHIHPLVVWFDNT-GFCCVEGCSA-N 0 0 198.306 2.664 10 0 AFAERN CC(C)(C)C[C@@H](O)[C@@H]1CCSC1 713145212 571944119 /nfs/dbraw/zinc/94/41/19/571944119.db2.gz GJLWNRFTBDAJDR-RKDXNWHRSA-N 0 0 188.336 2.537 10 0 AFAERN CCC[C@@](O)(CC)c1cnc(C)s1 687903225 571944189 /nfs/dbraw/zinc/94/41/89/571944189.db2.gz MOVXCPOCEAGCNP-JTQLQIEISA-N 0 0 199.319 2.849 10 0 AFAERN O=Cc1cnccc1C1CCCCC1 75579309 571944217 /nfs/dbraw/zinc/94/42/17/571944217.db2.gz YQONBRVTCKPEGK-UHFFFAOYSA-N 0 0 189.258 2.942 10 0 AFAERN O=C1CCC(CCC2CC2)CC1 687685826 571944336 /nfs/dbraw/zinc/94/43/36/571944336.db2.gz QJARTTAZFDHGII-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CCC[C@@](C)(Cl)N=O 196410326 571944483 /nfs/dbraw/zinc/94/44/83/571944483.db2.gz JLVJSEFSQRWIBA-YFKPBYRVSA-N 0 0 135.594 2.508 10 0 AFAERN CC[C@@](O)(c1cnc(C)s1)C(C)C 687906130 571944499 /nfs/dbraw/zinc/94/44/99/571944499.db2.gz XXEHONLPRGQURL-JTQLQIEISA-N 0 0 199.319 2.705 10 0 AFAERN CNc1cccc2c1CCC2(C)C 196409123 571944594 /nfs/dbraw/zinc/94/45/94/571944594.db2.gz VUHRBYJUFWZNEG-UHFFFAOYSA-N 0 0 175.275 2.952 10 0 AFAERN COc1ccc2c(c1)CCC[C@@H](C)N2 196413577 571944630 /nfs/dbraw/zinc/94/46/30/571944630.db2.gz NHMHNTYDXBZGSZ-SECBINFHSA-N 0 0 191.274 2.832 10 0 AFAERN Cc1ncc([C@@H](O)CC(C)(C)C)s1 687906209 571944673 /nfs/dbraw/zinc/94/46/73/571944673.db2.gz YTFFVRUZYVKEIS-QMMMGPOBSA-N 0 0 199.319 2.921 10 0 AFAERN CCCC(=O)c1cnc(C)cc1C 196401870 571944819 /nfs/dbraw/zinc/94/48/19/571944819.db2.gz YPNWCWIPEKFPOL-UHFFFAOYSA-N 0 0 177.247 2.681 10 0 AFAERN CCSC[C@@H](O)CCCC(F)F 687906419 571944853 /nfs/dbraw/zinc/94/48/53/571944853.db2.gz NAGIRULFEKWOID-ZETCQYMHSA-N 0 0 198.278 2.536 10 0 AFAERN C[C@@H]1CCCc2ncsc21 39134762 571944862 /nfs/dbraw/zinc/94/48/62/571944862.db2.gz AGHTUFAETQMGJD-ZCFIWIBFSA-N 0 0 153.250 2.583 10 0 AFAERN C[C@H]1CCCc2ncsc21 39134763 571945040 /nfs/dbraw/zinc/94/50/40/571945040.db2.gz AGHTUFAETQMGJD-LURJTMIESA-N 0 0 153.250 2.583 10 0 AFAERN Cc1cc(C)c(OCCCF)cc1N 235789768 571945111 /nfs/dbraw/zinc/94/51/11/571945111.db2.gz KVNXRUQGNRBSSD-UHFFFAOYSA-N 0 0 197.253 2.624 10 0 AFAERN O=C1CC=C(CCC2CC2)CC1 687685712 571945181 /nfs/dbraw/zinc/94/51/81/571945181.db2.gz IPXWDVLZQRIHLR-UHFFFAOYSA-N 0 0 164.248 2.856 10 0 AFAERN CCOCc1cc2cc(O)ccc2o1 140514390 571949791 /nfs/dbraw/zinc/94/97/91/571949791.db2.gz HVSROOQQMOOVIR-UHFFFAOYSA-N 0 0 192.214 2.675 10 0 AFAERN CC(C)C1=CC[C@@H](C)C(=O)C1 31357316 571945326 /nfs/dbraw/zinc/94/53/26/571945326.db2.gz RIGRXRHXNMJXHD-MRVPVSSYSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)OCCCC1CCCCC1 31361592 571945468 /nfs/dbraw/zinc/94/54/68/571945468.db2.gz BEIGMLFXAHJFME-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN OCC/C=C\CC1CCCCC1 214719767 571945620 /nfs/dbraw/zinc/94/56/20/571945620.db2.gz YRSQRKMLTSTANH-DJWKRKHSSA-N 0 0 168.280 2.895 10 0 AFAERN CC[C@](O)(c1cnc(C)s1)C(C)C 687906132 571945683 /nfs/dbraw/zinc/94/56/83/571945683.db2.gz XXEHONLPRGQURL-SNVBAGLBSA-N 0 0 199.319 2.705 10 0 AFAERN CCCCCN(C)C(=O)C=C(C)C 300808603 571945713 /nfs/dbraw/zinc/94/57/13/571945713.db2.gz KNTCPCMKLAUOIF-UHFFFAOYSA-N 0 0 183.295 2.601 10 0 AFAERN CCC[C@](C)(Cl)N=O 196410316 571945773 /nfs/dbraw/zinc/94/57/73/571945773.db2.gz JLVJSEFSQRWIBA-RXMQYKEDSA-N 0 0 135.594 2.508 10 0 AFAERN O[C@@H](CCCC(F)F)CC1CC1 687908513 571945829 /nfs/dbraw/zinc/94/58/29/571945829.db2.gz WKICKLMCRUCRIK-QMMMGPOBSA-N 0 0 178.222 2.583 10 0 AFAERN C/C=C\COc1ccc(C)cc1 79238559 571945834 /nfs/dbraw/zinc/94/58/34/571945834.db2.gz XBTGUUPOEOZDBQ-ARJAWSKDSA-N 0 0 162.232 2.950 10 0 AFAERN CC(C)c1ncnn1[C@H]1CC[C@@H](C)C1 335301059 571945844 /nfs/dbraw/zinc/94/58/44/571945844.db2.gz RLZXOAAFFCJRJG-ZJUUUORDSA-N 0 0 193.294 2.763 10 0 AFAERN CC(C)c1ncnn1[C@@H]1CC[C@H](C)C1 335301058 571945893 /nfs/dbraw/zinc/94/58/93/571945893.db2.gz RLZXOAAFFCJRJG-VHSXEESVSA-N 0 0 193.294 2.763 10 0 AFAERN CCN(C)c1c(Cl)cccc1C=O 233974809 571945920 /nfs/dbraw/zinc/94/59/20/571945920.db2.gz ALCHUWKILKYGLX-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN CC(=O)N[C@H](C)/C=C\C1CCCCC1 221277877 571946006 /nfs/dbraw/zinc/94/60/06/571946006.db2.gz XGGZYCNDRPXREL-HSTULFTRSA-N 0 0 195.306 2.648 10 0 AFAERN C=C(SC)C(=O)Nc1ccccc1 196416897 571946055 /nfs/dbraw/zinc/94/60/55/571946055.db2.gz OESQDKQNXNLKDL-UHFFFAOYSA-N 0 0 193.271 2.502 10 0 AFAERN COc1cc(CC(C)C)ccc1C=O 113865314 571946079 /nfs/dbraw/zinc/94/60/79/571946079.db2.gz AYGDMPHVZXYOSH-UHFFFAOYSA-N 0 0 192.258 2.706 10 0 AFAERN COc1ccc2c(c1)CCC[C@H](C)N2 196413587 571946516 /nfs/dbraw/zinc/94/65/16/571946516.db2.gz NHMHNTYDXBZGSZ-VIFPVBQESA-N 0 0 191.274 2.832 10 0 AFAERN O[C@H](CCCC(F)F)CC1CC1 687908512 571946278 /nfs/dbraw/zinc/94/62/78/571946278.db2.gz WKICKLMCRUCRIK-MRVPVSSYSA-N 0 0 178.222 2.583 10 0 AFAERN CC(C)C1=CC[C@H](C)C(=O)C1 31357313 571946352 /nfs/dbraw/zinc/94/63/52/571946352.db2.gz RIGRXRHXNMJXHD-QMMMGPOBSA-N 0 0 152.237 2.568 10 0 AFAERN C=Cc1ccc(NC(=O)OC)cc1 196404137 571946526 /nfs/dbraw/zinc/94/65/26/571946526.db2.gz DVGSGKWIQDLZQV-UHFFFAOYSA-N 0 0 177.203 2.508 10 0 AFAERN CC/C(C)=C\CCC(C)=O 31332682 571946425 /nfs/dbraw/zinc/94/64/25/571946425.db2.gz SAXWRVSDVXCTEL-VURMDHGXSA-N 0 0 140.226 2.712 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@@H](C(C)(C)C)C1 31352040 571946419 /nfs/dbraw/zinc/94/64/19/571946419.db2.gz OOPHUQPRWUXYDI-UTLUCORTSA-N 0 0 170.296 2.830 10 0 AFAERN CCCC(=O)C[Si](C)(C)C 196419481 571946771 /nfs/dbraw/zinc/94/67/71/571946771.db2.gz LMCGTCLWHOEMQM-UHFFFAOYSA-N 0 0 158.317 2.694 10 0 AFAERN Cc1cc(-c2ccncc2)ccc1N 40231663 571946796 /nfs/dbraw/zinc/94/67/96/571946796.db2.gz UEXVFKQHJOQBHG-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC(C)C(=O)C[Si](C)(C)C 196419468 571946819 /nfs/dbraw/zinc/94/68/19/571946819.db2.gz HYWNMHSRJYAFIV-UHFFFAOYSA-N 0 0 158.317 2.550 10 0 AFAERN CC/C=C/C[C@@H]1CC[C@@H](O)C1 140508283 571947070 /nfs/dbraw/zinc/94/70/70/571947070.db2.gz GEESULJPQCCIPY-HIHHVFROSA-N 0 0 154.253 2.504 10 0 AFAERN C(=C/c1ccco1)\c1cc[nH]c1 140510164 571947142 /nfs/dbraw/zinc/94/71/42/571947142.db2.gz MEAQEXBEURHFTE-ONEGZZNKSA-N 0 0 159.188 2.778 10 0 AFAERN CCSC[C@H](O)CCCC(F)F 687906418 571947180 /nfs/dbraw/zinc/94/71/80/571947180.db2.gz NAGIRULFEKWOID-SSDOTTSWSA-N 0 0 198.278 2.536 10 0 AFAERN NOCCCCc1ccc(Cl)cc1 34425883 571951109 /nfs/dbraw/zinc/95/11/09/571951109.db2.gz FCTGISMHNQFVCL-UHFFFAOYSA-N 0 0 199.681 2.553 10 0 AFAERN Cc1ncc([C@H](O)CC(C)(C)C)s1 687906207 571947356 /nfs/dbraw/zinc/94/73/56/571947356.db2.gz YTFFVRUZYVKEIS-MRVPVSSYSA-N 0 0 199.319 2.921 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)c1ccc(F)cc1F 40249034 571947381 /nfs/dbraw/zinc/94/73/81/571947381.db2.gz JTQQYQCUUGNFQJ-OUAIYISWSA-N 0 0 198.212 2.654 10 0 AFAERN CCc1ccc([C@H](O)[C@H]2C[C@@H]2C)cc1 40254889 571947416 /nfs/dbraw/zinc/94/74/16/571947416.db2.gz CURXDXJLFUZXKH-XDTLVQLUSA-N 0 0 190.286 2.938 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)c1ccc(F)cc1F 40249036 571947485 /nfs/dbraw/zinc/94/74/85/571947485.db2.gz JTQQYQCUUGNFQJ-KNBVPPQFSA-N 0 0 198.212 2.654 10 0 AFAERN Cc1ccc([C@H](O)C2CCC2)s1 40242262 571947525 /nfs/dbraw/zinc/94/75/25/571947525.db2.gz FBKHBSTZZOWKER-SNVBAGLBSA-N 0 0 182.288 2.890 10 0 AFAERN C[C@@H]1CC[C@@H](O)[C@@H](C(C)(C)C)C1 31352035 571947552 /nfs/dbraw/zinc/94/75/52/571947552.db2.gz OOPHUQPRWUXYDI-KXUCPTDWSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)c1ccc(F)cc1 40243725 571947698 /nfs/dbraw/zinc/94/76/98/571947698.db2.gz ASLKWEFVMXRPHY-PPKCKEKNSA-N 0 0 180.222 2.515 10 0 AFAERN Cc1ccoc1[C@H](O)c1ccccc1 40244076 571947958 /nfs/dbraw/zinc/94/79/58/571947958.db2.gz MKOCFIUNCBIDHZ-LLVKDONJSA-N 0 0 188.226 2.670 10 0 AFAERN Cc1ccccc1[C@@H]1CCCC(=O)O1 140504523 571947992 /nfs/dbraw/zinc/94/79/92/571947992.db2.gz VIRZXYHGTWZIIU-NSHDSACASA-N 0 0 190.242 2.763 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)c1cc(F)ccc1F 40246420 571948254 /nfs/dbraw/zinc/94/82/54/571948254.db2.gz DPXKIYPELWGUBV-ZYAQMDEOSA-N 0 0 198.212 2.654 10 0 AFAERN Cc1ccc([C@H](O)[C@H]2C[C@@H]2C)cc1 40244351 571948277 /nfs/dbraw/zinc/94/82/77/571948277.db2.gz QYPZNROKBKXRNC-DLOVCJGASA-N 0 0 176.259 2.684 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1cccs1 40247537 571948321 /nfs/dbraw/zinc/94/83/21/571948321.db2.gz VOTMXAHLYNBURI-VXNVDRBHSA-N 0 0 170.277 2.828 10 0 AFAERN CCc1ccc([C@H](O)[C@@H]2C[C@@H]2C)cc1 40254885 571948327 /nfs/dbraw/zinc/94/83/27/571948327.db2.gz CURXDXJLFUZXKH-BIMULSAOSA-N 0 0 190.286 2.938 10 0 AFAERN Cc1ccc([C@H](O)[C@@H]2C[C@@H]2C)cc1 40244349 571948331 /nfs/dbraw/zinc/94/83/31/571948331.db2.gz QYPZNROKBKXRNC-WCQGTBRESA-N 0 0 176.259 2.684 10 0 AFAERN Cc1ccc([C@H](O)[C@@H]2C[C@@H]2C)cc1C 40241802 571948395 /nfs/dbraw/zinc/94/83/95/571948395.db2.gz XRXMIPQGXURBSO-UHTWSYAYSA-N 0 0 190.286 2.993 10 0 AFAERN Cc1cc([C@@H](O)C2CC2)c(C)s1 40257163 571948453 /nfs/dbraw/zinc/94/84/53/571948453.db2.gz WBHAUGLQUSFQCS-JTQLQIEISA-N 0 0 182.288 2.808 10 0 AFAERN CC[C@H](C)[C@@H](O)c1cccs1 40247538 571948534 /nfs/dbraw/zinc/94/85/34/571948534.db2.gz VOTMXAHLYNBURI-IONNQARKSA-N 0 0 170.277 2.828 10 0 AFAERN CCc1ccc([C@@H](O)C(C)C)s1 40242627 571948517 /nfs/dbraw/zinc/94/85/17/571948517.db2.gz DGRKTHHBPHAFRI-JTQLQIEISA-N 0 0 184.304 3.000 10 0 AFAERN COC[C@H](O)CCCCC(C)(C)C 300809617 571948568 /nfs/dbraw/zinc/94/85/68/571948568.db2.gz FROKJUIDXABRPZ-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN C(=C/c1ccc[nH]1)\c1ccc[nH]1 140509953 571948608 /nfs/dbraw/zinc/94/86/08/571948608.db2.gz RGBYSSAQRIVWCX-AATRIKPKSA-N 0 0 158.204 2.513 10 0 AFAERN CC[C@@H](C)C(=O)c1ccnc(C)c1 233976491 571948622 /nfs/dbraw/zinc/94/86/22/571948622.db2.gz PKQGZVQUUHVPGQ-MRVPVSSYSA-N 0 0 177.247 2.619 10 0 AFAERN CCC[C@@H](C)C[C@]1(O)CCCC(=O)C1 712726307 571948627 /nfs/dbraw/zinc/94/86/27/571948627.db2.gz HXKYVGWVSVCJQH-ZYHUDNBSSA-N 0 0 198.306 2.687 10 0 AFAERN Cc1ccc([C@H](O)[C@@H]2C[C@@H]2C)c(C)c1 40245892 571948704 /nfs/dbraw/zinc/94/87/04/571948704.db2.gz ZGRHAMXHVLCLCB-UHTWSYAYSA-N 0 0 190.286 2.993 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)c1cc(F)ccc1F 40246422 571948753 /nfs/dbraw/zinc/94/87/53/571948753.db2.gz DPXKIYPELWGUBV-HLEGCSNESA-N 0 0 198.212 2.654 10 0 AFAERN COC[C@@H](O)CCCCC(C)(C)C 300809615 571948884 /nfs/dbraw/zinc/94/88/84/571948884.db2.gz FROKJUIDXABRPZ-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)c1ccc(F)cc1 40243727 571948860 /nfs/dbraw/zinc/94/88/60/571948860.db2.gz ASLKWEFVMXRPHY-AVPPRXQKSA-N 0 0 180.222 2.515 10 0 AFAERN CC(C)CCC[C@]1(O)CCCC(=O)C1 712726340 571948866 /nfs/dbraw/zinc/94/88/66/571948866.db2.gz IGPQDRHUORECNC-LBPRGKRZSA-N 0 0 198.306 2.687 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)c1ccc(F)c(F)c1 40254553 571948925 /nfs/dbraw/zinc/94/89/25/571948925.db2.gz HFRGTCOEZLKTOE-CDOJRTKCSA-N 0 0 198.212 2.654 10 0 AFAERN Cc1ccccc1[C@H]1CCCC(=O)O1 140504704 571949016 /nfs/dbraw/zinc/94/90/16/571949016.db2.gz VIRZXYHGTWZIIU-LLVKDONJSA-N 0 0 190.242 2.763 10 0 AFAERN CC/C=C/C[C@H]1CC[C@@H](O)C1 140508437 571949022 /nfs/dbraw/zinc/94/90/22/571949022.db2.gz GEESULJPQCCIPY-FCVPOFOPSA-N 0 0 154.253 2.504 10 0 AFAERN CCC(=O)OC1CCC(C)CC1 31362755 571949027 /nfs/dbraw/zinc/94/90/27/571949027.db2.gz QBHBYEFAABUFPR-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN C[C@@]12CCCC[C@@H]1CCC[C@@H]2O 196411771 571949154 /nfs/dbraw/zinc/94/91/54/571949154.db2.gz WKKUHJSDEQKKLV-OUAUKWLOSA-N 0 0 168.280 2.728 10 0 AFAERN CC(=O)/C=C1\CSCC(C)(C)C1 379330036 571949225 /nfs/dbraw/zinc/94/92/25/571949225.db2.gz SXVRORFGJVSDJC-WTKPLQERSA-N 0 0 184.304 2.665 10 0 AFAERN Cc1ccc([C@H](O)[C@H]2C[C@@H]2C)s1 40242254 571949197 /nfs/dbraw/zinc/94/91/97/571949197.db2.gz YAOPVJRYVNWGBU-KADJCCMJSA-N 0 0 182.288 2.746 10 0 AFAERN CC[C@H](O)c1c(F)cc(F)cc1F 40246910 571949372 /nfs/dbraw/zinc/94/93/72/571949372.db2.gz CHRHZJPSOQHYSZ-QMMMGPOBSA-N 0 0 190.164 2.547 10 0 AFAERN OCCCCCC1CCCC1 79274754 571949429 /nfs/dbraw/zinc/94/94/29/571949429.db2.gz BAGZWIMZZSKVNW-UHFFFAOYSA-N 0 0 156.269 2.729 10 0 AFAERN C/C=C\CC[C@H]1[C@@H]2C(=O)CC[C@]12C 687752018 571949449 /nfs/dbraw/zinc/94/94/49/571949449.db2.gz UFCGTLOQCKMYRD-WCOVAXCCSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)c1ccc(F)c(F)c1 40254557 571949632 /nfs/dbraw/zinc/94/96/32/571949632.db2.gz HFRGTCOEZLKTOE-AZTOOPQRSA-N 0 0 198.212 2.654 10 0 AFAERN CCCC/C=C\[C@H]1C[C@H]1C(C)=O 687752019 571949756 /nfs/dbraw/zinc/94/97/56/571949756.db2.gz UWUUMAITUPWOHZ-TWHAFNCTSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@H](C)[C@H](O)c1cccs1 40247536 571949866 /nfs/dbraw/zinc/94/98/66/571949866.db2.gz VOTMXAHLYNBURI-CBAPKCEASA-N 0 0 170.277 2.828 10 0 AFAERN CC[C@@H]1CNc2cc(OC)ccc2C1 11633245 571950064 /nfs/dbraw/zinc/95/00/64/571950064.db2.gz KLLQPBZXOZLDLU-VIFPVBQESA-N 0 0 191.274 2.689 10 0 AFAERN CC[C@@H](C)[C@H](O)c1cccs1 40247535 571950102 /nfs/dbraw/zinc/95/01/02/571950102.db2.gz VOTMXAHLYNBURI-APPZFPTMSA-N 0 0 170.277 2.828 10 0 AFAERN CSC[C@@H](C)C(=O)c1occc1C 300812442 571950218 /nfs/dbraw/zinc/95/02/18/571950218.db2.gz CEGIYDSTCOWIOR-MRVPVSSYSA-N 0 0 198.287 2.770 10 0 AFAERN O=C1CC=CC[C@H]1c1ccccc1 139511278 571950354 /nfs/dbraw/zinc/95/03/54/571950354.db2.gz UIEAQBJUZSTJSI-NSHDSACASA-N 0 0 172.227 2.689 10 0 AFAERN C/C(=C\CO)CC[C@@H]1CC1(C)C 139507194 571950463 /nfs/dbraw/zinc/95/04/63/571950463.db2.gz JJTMZFWMMOCJGJ-OLKPEBQYSA-N 0 0 168.280 2.751 10 0 AFAERN CC(=O)NC12CCCCC1CCCC2 139545039 571950474 /nfs/dbraw/zinc/95/04/74/571950474.db2.gz MEURNHJOBJSSTA-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CSC[C@H](C)C(=O)c1occc1C 300812444 571950702 /nfs/dbraw/zinc/95/07/02/571950702.db2.gz CEGIYDSTCOWIOR-QMMMGPOBSA-N 0 0 198.287 2.770 10 0 AFAERN COc1c(C)cc(C)c(C)c1OC 34420361 571950756 /nfs/dbraw/zinc/95/07/56/571950756.db2.gz HLEBAYYMSSOZHH-UHFFFAOYSA-N 0 0 180.247 2.629 10 0 AFAERN CC[C@H]1CNc2cc(C)ccc2C1 11633232 571950908 /nfs/dbraw/zinc/95/09/08/571950908.db2.gz NHRBIUZKWPJQOZ-SNVBAGLBSA-N 0 0 175.275 2.989 10 0 AFAERN O=Cc1ccc(C2CCCC2)cc1O 139542464 571951220 /nfs/dbraw/zinc/95/12/20/571951220.db2.gz XIDIZTMBENJWES-UHFFFAOYSA-N 0 0 190.242 2.862 10 0 AFAERN CCCC(O)(CCC)[C@H](C)COC 687687283 571951232 /nfs/dbraw/zinc/95/12/32/571951232.db2.gz FIZWFXIDOPFSBB-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CCOc1cccc2c1NC[C@H](C)C2 11633219 571951305 /nfs/dbraw/zinc/95/13/05/571951305.db2.gz OTZLXSDIQXCWIE-SECBINFHSA-N 0 0 191.274 2.689 10 0 AFAERN CCOc1ccc2c(c1)C[C@H](C)CN2 11633187 571951446 /nfs/dbraw/zinc/95/14/46/571951446.db2.gz RMGRBCCKVCWGCA-VIFPVBQESA-N 0 0 191.274 2.689 10 0 AFAERN C[C@H](c1nccn1C)C(C)(C)C 39082238 571951465 /nfs/dbraw/zinc/95/14/65/571951465.db2.gz BHJGFACCMRGLCD-MRVPVSSYSA-N 0 0 166.268 2.570 10 0 AFAERN CCOc1cccc2c1NC[C@@H](C)C2 11633220 571951478 /nfs/dbraw/zinc/95/14/78/571951478.db2.gz OTZLXSDIQXCWIE-VIFPVBQESA-N 0 0 191.274 2.689 10 0 AFAERN Cc1c(N)cccc1-c1nccs1 11632217 571951803 /nfs/dbraw/zinc/95/18/03/571951803.db2.gz XLVVIHCANIATBH-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCCC(O)(CCC)[C@@H](C)COC 687687281 571952035 /nfs/dbraw/zinc/95/20/35/571952035.db2.gz FIZWFXIDOPFSBB-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN O=C1CC=CC[C@@H]1c1ccccc1 139511437 571952171 /nfs/dbraw/zinc/95/21/71/571952171.db2.gz UIEAQBJUZSTJSI-LLVKDONJSA-N 0 0 172.227 2.689 10 0 AFAERN Cc1ccc(-c2nccs2)cc1N 11632237 571952177 /nfs/dbraw/zinc/95/21/77/571952177.db2.gz FUIJRVPRJXBWCA-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(C)c1cccc([C@@H](C)CO)c1 139544358 571952427 /nfs/dbraw/zinc/95/24/27/571952427.db2.gz FNDLKNHPVKYEIG-JTQLQIEISA-N 0 0 178.275 2.906 10 0 AFAERN COc1c(C(C)C)ccc(C)c1O 140576783 571952431 /nfs/dbraw/zinc/95/24/31/571952431.db2.gz PVEFRHUZPGCJIK-UHFFFAOYSA-N 0 0 180.247 2.833 10 0 AFAERN C/C=C\[C@H]1C[C@]12CCCCC2=O 687752020 571952514 /nfs/dbraw/zinc/95/25/14/571952514.db2.gz ZZQVGTVRGWYMER-AHPYIWDOSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)c1cccc([C@H](C)CO)c1 139544475 571952537 /nfs/dbraw/zinc/95/25/37/571952537.db2.gz FNDLKNHPVKYEIG-SNVBAGLBSA-N 0 0 178.275 2.906 10 0 AFAERN CCOc1ccc2c(c1)C[C@@H](C)CN2 11633188 571952546 /nfs/dbraw/zinc/95/25/46/571952546.db2.gz RMGRBCCKVCWGCA-SECBINFHSA-N 0 0 191.274 2.689 10 0 AFAERN CC[C@@H]1CN(C)c2ccccc21 39081541 571952556 /nfs/dbraw/zinc/95/25/56/571952556.db2.gz HFVFAXGTMHTUQQ-SECBINFHSA-N 0 0 161.248 2.630 10 0 AFAERN CC(C)(C)ONCCC1CCCC1 300813052 571952814 /nfs/dbraw/zinc/95/28/14/571952814.db2.gz XTOPNKSXQCVKLA-UHFFFAOYSA-N 0 0 185.311 2.886 10 0 AFAERN Cc1cc(-c2nccs2)ccc1N 11632257 571952696 /nfs/dbraw/zinc/95/26/96/571952696.db2.gz NUTGVWWBYZSBHT-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(C)n1ccc2cccnc21 39081387 571952866 /nfs/dbraw/zinc/95/28/66/571952866.db2.gz HAPJKEFMMQDHSN-UHFFFAOYSA-N 0 0 160.220 2.617 10 0 AFAERN CC[C@H]1CNc2cc(OC)ccc2C1 11633246 571952870 /nfs/dbraw/zinc/95/28/70/571952870.db2.gz KLLQPBZXOZLDLU-SECBINFHSA-N 0 0 191.274 2.689 10 0 AFAERN CC[C@@H]1CNc2cc(C)ccc2C1 11633231 571952876 /nfs/dbraw/zinc/95/28/76/571952876.db2.gz NHRBIUZKWPJQOZ-JTQLQIEISA-N 0 0 175.275 2.989 10 0 AFAERN Cc1cccc2cc(C)n(C)c12 39081287 571952918 /nfs/dbraw/zinc/95/29/18/571952918.db2.gz DRXVXXORAJHRPQ-UHFFFAOYSA-N 0 0 159.232 2.795 10 0 AFAERN CC[C@@H]1[C@@H](COC)[C@H]2CC[C@@H]1C2 40442401 571953075 /nfs/dbraw/zinc/95/30/75/571953075.db2.gz QZXZEFZFGWQVNV-RCWTZXSCSA-N 0 0 168.280 2.705 10 0 AFAERN CCN(C)c1ccc(C=O)c(Cl)c1 233979774 571953538 /nfs/dbraw/zinc/95/35/38/571953538.db2.gz CVQVXPDLZPYIJO-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN C[C@H]1CCCC(C)(C)[C@H]1[C@@H](C)O 140599421 571953589 /nfs/dbraw/zinc/95/35/89/571953589.db2.gz RTMGICAYINNBAA-IVZWLZJFSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H]1[C@@H](COC)[C@H]2CC[C@@H]1C2 40442400 571953798 /nfs/dbraw/zinc/95/37/98/571953798.db2.gz QZXZEFZFGWQVNV-YTWAJWBKSA-N 0 0 168.280 2.705 10 0 AFAERN CCCC1(c2ccccc2)OCCO1 34451378 571954237 /nfs/dbraw/zinc/95/42/37/571954237.db2.gz XGGBUDFRBFGFOD-UHFFFAOYSA-N 0 0 192.258 2.686 10 0 AFAERN C[C@@H](c1nccn1C)C(C)(C)C 39082236 571954373 /nfs/dbraw/zinc/95/43/73/571954373.db2.gz BHJGFACCMRGLCD-QMMMGPOBSA-N 0 0 166.268 2.570 10 0 AFAERN CCOC(=O)/C=C/C[C@H](C)CC 139694563 571954455 /nfs/dbraw/zinc/95/44/55/571954455.db2.gz IVILHIDILKFOIB-BNICOGTQSA-N 0 0 170.252 2.542 10 0 AFAERN CCC(=O)[C@@H](C)C1C=CC=CC=C1 139603673 571954580 /nfs/dbraw/zinc/95/45/80/571954580.db2.gz ULAQFUSMSGFZNC-JTQLQIEISA-N 0 0 176.259 2.900 10 0 AFAERN CCc1cc2cc[nH]c2c(CC)c1N 139681772 571954725 /nfs/dbraw/zinc/95/47/25/571954725.db2.gz GYNMXTRZHOYVQS-UHFFFAOYSA-N 0 0 188.274 2.875 10 0 AFAERN CCc1cccc(C(C)=O)c1F 140615324 571954807 /nfs/dbraw/zinc/95/48/07/571954807.db2.gz PDLYYGCBLZWWLQ-UHFFFAOYSA-N 0 0 166.195 2.591 10 0 AFAERN C/C(=C\[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] 394820267 571954909 /nfs/dbraw/zinc/95/49/09/571954909.db2.gz FORHVEKJPBMZDZ-RXFWIBKSSA-N 0 0 183.251 2.993 10 0 AFAERN CC(C)(C)C[C@H](O)c1ccc(N)cc1 713154192 571955047 /nfs/dbraw/zinc/95/50/47/571955047.db2.gz JZLWOQVKCXRAGL-NSHDSACASA-N 0 0 193.290 2.738 10 0 AFAERN C[C@H]1Cc2c[nH]nc2-c2ccccc21 40506004 571955157 /nfs/dbraw/zinc/95/51/57/571955157.db2.gz OELQENAWLAHLMK-QMMMGPOBSA-N 0 0 184.242 2.736 10 0 AFAERN C/C(=C\[C@@H]1CCCC[C@@H]1C)[N+](=O)[O-] 394820265 571955261 /nfs/dbraw/zinc/95/52/61/571955261.db2.gz FORHVEKJPBMZDZ-CFHQGVHJSA-N 0 0 183.251 2.993 10 0 AFAERN CCC(=O)[C@H](C)C1C=CC=CC=C1 139603786 571955271 /nfs/dbraw/zinc/95/52/71/571955271.db2.gz ULAQFUSMSGFZNC-SNVBAGLBSA-N 0 0 176.259 2.900 10 0 AFAERN CC1=CCc2cccc(C)c21 139604511 571955276 /nfs/dbraw/zinc/95/52/76/571955276.db2.gz FNGROCHVLIICND-UHFFFAOYSA-N 0 0 144.217 2.954 10 0 AFAERN CO[C@H](C)CC[C@@H](O)C1=CCCCC1 234778581 571955304 /nfs/dbraw/zinc/95/53/04/571955304.db2.gz MWLIKXZUFLAURT-ZYHUDNBSSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1ccc([C@@H](O)CC(C)(C)C)nc1 713154004 571955366 /nfs/dbraw/zinc/95/53/66/571955366.db2.gz MPOGVLIELGZODD-NSHDSACASA-N 0 0 193.290 2.860 10 0 AFAERN C=Cc1cc(CC)nc(CC)c1 139650141 571955481 /nfs/dbraw/zinc/95/54/81/571955481.db2.gz ZVBVBFGGZJJWHR-UHFFFAOYSA-N 0 0 161.248 2.849 10 0 AFAERN CO[C@H](C)CC[C@H](O)C1=CCCCC1 234782541 571955553 /nfs/dbraw/zinc/95/55/53/571955553.db2.gz MWLIKXZUFLAURT-PWSUYJOCSA-N 0 0 198.306 2.663 10 0 AFAERN CC1=C2CC[C@@H](C)C[C@@H]2OCC1 38645830 571956693 /nfs/dbraw/zinc/95/66/93/571956693.db2.gz GXAYAOBBVDEENR-KCJUWKMLSA-N 0 0 166.264 2.912 10 0 AFAERN CSc1cc(Br)co1 139688823 571955633 /nfs/dbraw/zinc/95/56/33/571955633.db2.gz PTGNEPACMDNRGA-UHFFFAOYSA-N 0 0 193.065 2.764 10 0 AFAERN CCc1[nH]c([C@@H]2CC[C@H](C)C2)nc1O 234314588 571955877 /nfs/dbraw/zinc/95/58/77/571955877.db2.gz NFDKIWZOWCTZPC-JGVFFNPUSA-N 0 0 194.278 2.581 10 0 AFAERN CC(C)(C)C[C@H](O)c1cccc(N)c1 713154150 571955898 /nfs/dbraw/zinc/95/58/98/571955898.db2.gz JANZBQHMZBGARU-NSHDSACASA-N 0 0 193.290 2.738 10 0 AFAERN Cc1cc(C2=CCC(=O)CC2)sn1 687688154 571955909 /nfs/dbraw/zinc/95/59/09/571955909.db2.gz ZFCTZNJEJAZXFN-UHFFFAOYSA-N 0 0 193.271 2.588 10 0 AFAERN CC(C)C(=O)SCc1ccco1 38648336 571956124 /nfs/dbraw/zinc/95/61/24/571956124.db2.gz PWPUWIDPJVNGQU-UHFFFAOYSA-N 0 0 184.260 2.695 10 0 AFAERN CC1=C2CC[C@H](C)C[C@H]2OCC1 38645827 571956174 /nfs/dbraw/zinc/95/61/74/571956174.db2.gz GXAYAOBBVDEENR-GZMMTYOYSA-N 0 0 166.264 2.912 10 0 AFAERN O=C(CCc1ccco1)c1ccco1 68572709 571956413 /nfs/dbraw/zinc/95/64/13/571956413.db2.gz RKFZHFZJFPIQPG-UHFFFAOYSA-N 0 0 190.198 2.688 10 0 AFAERN CCCCc1ccc(Cl)oc1=O 40466958 571956415 /nfs/dbraw/zinc/95/64/15/571956415.db2.gz TZCZVRJKOZKWJX-UHFFFAOYSA-N 0 0 186.638 2.636 10 0 AFAERN C/C=C\c1ccc(NC2COC2)cc1 308502177 571956420 /nfs/dbraw/zinc/95/64/20/571956420.db2.gz HEWOIQYGVUVKHW-IHWYPQMZSA-N 0 0 189.258 2.530 10 0 AFAERN C[C@@H]1CNc2ccc(Cl)cc2C1 11987312 571956481 /nfs/dbraw/zinc/95/64/81/571956481.db2.gz XQTLSBRROGQSAT-ZETCQYMHSA-N 0 0 181.666 2.944 10 0 AFAERN CC[C@@H]1CSC(=S)S1 38634440 571956550 /nfs/dbraw/zinc/95/65/50/571956550.db2.gz NFPWEXAVSWIDJE-SCSAIBSYSA-N 0 0 164.320 2.530 10 0 AFAERN CC(C)(C)C[C@@H](O)c1cccc(N)c1 713154149 571956650 /nfs/dbraw/zinc/95/66/50/571956650.db2.gz JANZBQHMZBGARU-LLVKDONJSA-N 0 0 193.290 2.738 10 0 AFAERN CCc1[nH]c([C@@H]2CC[C@@H](C)C2)nc1O 234314582 571957864 /nfs/dbraw/zinc/95/78/64/571957864.db2.gz NFDKIWZOWCTZPC-HTQZYQBOSA-N 0 0 194.278 2.581 10 0 AFAERN CCc1[nH]c(C2CCCCC2)nc1O 234313293 571956985 /nfs/dbraw/zinc/95/69/85/571956985.db2.gz DIJRLBHWSDUZAW-UHFFFAOYSA-N 0 0 194.278 2.725 10 0 AFAERN Cc1ccc([C@H](O)CC(C)(C)C)nc1 713153997 571957111 /nfs/dbraw/zinc/95/71/11/571957111.db2.gz MPOGVLIELGZODD-LLVKDONJSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@H]1CSC(=S)S1 38634443 571957179 /nfs/dbraw/zinc/95/71/79/571957179.db2.gz NFPWEXAVSWIDJE-BYPYZUCNSA-N 0 0 164.320 2.530 10 0 AFAERN CC1=C2CC[C@H](C)C[C@@H]2OCC1 38645833 571957200 /nfs/dbraw/zinc/95/72/00/571957200.db2.gz GXAYAOBBVDEENR-KWQFWETISA-N 0 0 166.264 2.912 10 0 AFAERN CCc1[nH]c([C@H]2CC[C@H](C)C2)nc1O 234315105 571957219 /nfs/dbraw/zinc/95/72/19/571957219.db2.gz NFDKIWZOWCTZPC-YUMQZZPRSA-N 0 0 194.278 2.581 10 0 AFAERN Cc1ccc2nc(Cl)ccc2c1N 140632054 571957245 /nfs/dbraw/zinc/95/72/45/571957245.db2.gz BGJJATVILAZLHC-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CC(C)(C)CCc1nc(C=O)cs1 300816349 571957481 /nfs/dbraw/zinc/95/74/81/571957481.db2.gz GMYQSSTTXSJSGV-UHFFFAOYSA-N 0 0 197.303 2.934 10 0 AFAERN CC1=C2CC[C@@H](C)C[C@H]2OCC1 38645823 571957610 /nfs/dbraw/zinc/95/76/10/571957610.db2.gz GXAYAOBBVDEENR-LDYMZIIASA-N 0 0 166.264 2.912 10 0 AFAERN CC(C)(C)C[C@@H](O)c1ccc(N)cc1 713154191 571957611 /nfs/dbraw/zinc/95/76/11/571957611.db2.gz JZLWOQVKCXRAGL-LLVKDONJSA-N 0 0 193.290 2.738 10 0 AFAERN CCCCC[C@@H](C)NN1CCCCC1 213947829 571957854 /nfs/dbraw/zinc/95/78/54/571957854.db2.gz BFDCVMOMKBANQR-GFCCVEGCSA-N 0 0 198.354 2.946 10 0 AFAERN CC(=O)CCOC[C@H]1CCC[C@H](C)C1 300817430 571959778 /nfs/dbraw/zinc/95/97/78/571959778.db2.gz ZOCYHZRSDKQPIO-JQWIXIFHSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@H](CO)CSc1ccccc1 214592180 571959779 /nfs/dbraw/zinc/95/97/79/571959779.db2.gz HFCRUPQNUDDISM-SNVBAGLBSA-N 0 0 196.315 2.797 10 0 AFAERN Cc1c(/C(Cl)=C/Cl)cnn1C 206323432 571958084 /nfs/dbraw/zinc/95/80/84/571958084.db2.gz MDUPEMRLHCIUKM-CLTKARDFSA-N 0 0 191.061 2.505 10 0 AFAERN CC(=O)CCOC[C@@H]1CCC[C@@H](C)C1 300817434 571960449 /nfs/dbraw/zinc/96/04/49/571960449.db2.gz ZOCYHZRSDKQPIO-ZYHUDNBSSA-N 0 0 198.306 2.808 10 0 AFAERN C[C@H](O)C1(CCc2cccs2)CC1 235529152 571958153 /nfs/dbraw/zinc/95/81/53/571958153.db2.gz YPEQEVKKQYHCBN-VIFPVBQESA-N 0 0 196.315 2.842 10 0 AFAERN C1CC1[C@H]1CC[C@@H]1C1CC1 140692523 571958180 /nfs/dbraw/zinc/95/81/80/571958180.db2.gz CPMWTGPYRSJISN-NXEZZACHSA-N 0 0 136.238 2.833 10 0 AFAERN CC/C=C\[C@@H](C)SC(=O)NCC 393338525 571959929 /nfs/dbraw/zinc/95/99/29/571959929.db2.gz OYNHWLZYUARKFF-NFXKFNAJSA-N 0 0 187.308 2.804 10 0 AFAERN CC(C)=Cc1ccc(N)cc1F 140686747 571958207 /nfs/dbraw/zinc/95/82/07/571958207.db2.gz VPQPZNUPWPWCCX-UHFFFAOYSA-N 0 0 165.211 2.831 10 0 AFAERN C[C@@H]1CNc2cc(Cl)ccc2C1 11987306 571958299 /nfs/dbraw/zinc/95/82/99/571958299.db2.gz XUINSAVFJNWWBE-ZETCQYMHSA-N 0 0 181.666 2.944 10 0 AFAERN C/C=C/[C@H](CCO)C(C)(C)C 140653031 571958492 /nfs/dbraw/zinc/95/84/92/571958492.db2.gz KUZVVQYNKAUVBS-VUHVRTRXSA-N 0 0 156.269 2.607 10 0 AFAERN CC[C@@H](C)Cc1ccccc1CO 113914721 571958648 /nfs/dbraw/zinc/95/86/48/571958648.db2.gz ULTLKBBHKCAOGF-SNVBAGLBSA-N 0 0 178.275 2.768 10 0 AFAERN CC(=O)CCOC[C@H]1CCC[C@@H](C)C1 300817432 571958841 /nfs/dbraw/zinc/95/88/41/571958841.db2.gz ZOCYHZRSDKQPIO-PWSUYJOCSA-N 0 0 198.306 2.808 10 0 AFAERN C1CC1[C@@H]1CC[C@H]1C1CC1 140692689 571958889 /nfs/dbraw/zinc/95/88/89/571958889.db2.gz CPMWTGPYRSJISN-UWVGGRQHSA-N 0 0 136.238 2.833 10 0 AFAERN CC[C@H](C)Cc1ccccc1CO 113914722 571958988 /nfs/dbraw/zinc/95/89/88/571958988.db2.gz ULTLKBBHKCAOGF-JTQLQIEISA-N 0 0 178.275 2.768 10 0 AFAERN C1CC1[C@@H]1CC[C@@H]1C1CC1 140692346 571958961 /nfs/dbraw/zinc/95/89/61/571958961.db2.gz CPMWTGPYRSJISN-AOOOYVTPSA-N 0 0 136.238 2.833 10 0 AFAERN C[C@H]1CNc2cc(Cl)ccc2C1 11987309 571959118 /nfs/dbraw/zinc/95/91/18/571959118.db2.gz XUINSAVFJNWWBE-SSDOTTSWSA-N 0 0 181.666 2.944 10 0 AFAERN Cc1nn(C)cc1/C(Cl)=C/Cl 206323466 571959132 /nfs/dbraw/zinc/95/91/32/571959132.db2.gz OZYINAMGZVGODH-CLTKARDFSA-N 0 0 191.061 2.505 10 0 AFAERN CCOc1ccc2c(c1)NCCCC2 31889034 571959164 /nfs/dbraw/zinc/95/91/64/571959164.db2.gz PSEGKXNMZRUMCI-UHFFFAOYSA-N 0 0 191.274 2.834 10 0 AFAERN C[C@H]1CNc2c(Cl)cccc2C1 11987304 571959289 /nfs/dbraw/zinc/95/92/89/571959289.db2.gz QZOYXVHWFPLYMG-SSDOTTSWSA-N 0 0 181.666 2.944 10 0 AFAERN CC(C)[C@@H]1OC(=O)C[C@H]2CCCC[C@@H]12 38636378 571959400 /nfs/dbraw/zinc/95/94/00/571959400.db2.gz VODJLKMFVDDWEY-FOGDFJRCSA-N 0 0 196.290 2.764 10 0 AFAERN CC(=O)CCOC[C@@H]1CCC[C@H](C)C1 300817428 571959434 /nfs/dbraw/zinc/95/94/34/571959434.db2.gz ZOCYHZRSDKQPIO-CMPLNLGQSA-N 0 0 198.306 2.808 10 0 AFAERN C[C@H](O)C1(CCc2ccccc2)CC1 235529097 571959503 /nfs/dbraw/zinc/95/95/03/571959503.db2.gz ZRVBOQUZLSXFGW-NSHDSACASA-N 0 0 190.286 2.780 10 0 AFAERN CC/C=C\[C@H](C)SC(=O)NCC 393338526 571959670 /nfs/dbraw/zinc/95/96/70/571959670.db2.gz OYNHWLZYUARKFF-UAPHAKCISA-N 0 0 187.308 2.804 10 0 AFAERN CC(=O)c1cc(C)c2c(c1)C[C@H](C)O2 214599141 571959688 /nfs/dbraw/zinc/95/96/88/571959688.db2.gz DTJFULCLTKKHOY-QMMMGPOBSA-N 0 0 190.242 2.521 10 0 AFAERN Cc1cc2c(cc1C)[C@@H](O)CCC2 31889058 571959828 /nfs/dbraw/zinc/95/98/28/571959828.db2.gz XRHFLGNWSKXMIC-LBPRGKRZSA-N 0 0 176.259 2.673 10 0 AFAERN CC1=CSC2=N[C@H]3CCCC[C@@H]3N12 40738306 571960011 /nfs/dbraw/zinc/96/00/11/571960011.db2.gz ATXOJRLXDAUSHR-IUCAKERBSA-N 0 0 194.303 2.577 10 0 AFAERN Cc1cc2c(cc1C)[C@H](O)CCC2 31889055 571960063 /nfs/dbraw/zinc/96/00/63/571960063.db2.gz XRHFLGNWSKXMIC-GFCCVEGCSA-N 0 0 176.259 2.673 10 0 AFAERN CCOCCCCC(=O)C(C)(C)C 80384801 571960080 /nfs/dbraw/zinc/96/00/80/571960080.db2.gz NMWSTYLIDBSCCB-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC(C)[C@@H]1OC(=O)C[C@H]2CCCC[C@H]12 38636383 571960397 /nfs/dbraw/zinc/96/03/97/571960397.db2.gz VODJLKMFVDDWEY-SCVCMEIPSA-N 0 0 196.290 2.764 10 0 AFAERN CC(=O)c1cc(C)c2c(c1)C[C@@H](C)O2 214599090 571960414 /nfs/dbraw/zinc/96/04/14/571960414.db2.gz DTJFULCLTKKHOY-MRVPVSSYSA-N 0 0 190.242 2.521 10 0 AFAERN CC(C)OCCC1=C[C@@H](O)CCCC1 687689271 571960424 /nfs/dbraw/zinc/96/04/24/571960424.db2.gz WALFOSAMUIUVHX-LBPRGKRZSA-N 0 0 198.306 2.663 10 0 AFAERN COC(C)(C)CCC1=CCC(=O)CC1 687688533 571960788 /nfs/dbraw/zinc/96/07/88/571960788.db2.gz UTMFUWOVGMQUKV-UHFFFAOYSA-N 0 0 196.290 2.871 10 0 AFAERN CC(C)OCCC1=C[C@H](O)CCCC1 687689270 571961192 /nfs/dbraw/zinc/96/11/92/571961192.db2.gz WALFOSAMUIUVHX-GFCCVEGCSA-N 0 0 198.306 2.663 10 0 AFAERN C/C(=C\[C@@H]1CCCC[C@@H]1C)CO 394832511 571961076 /nfs/dbraw/zinc/96/10/76/571961076.db2.gz OYBIQZZVPRHQHI-AHVQJPNGSA-N 0 0 168.280 2.751 10 0 AFAERN C/C(=C\[C@@H]1CCCC[C@H]1C)CO 394832515 571961127 /nfs/dbraw/zinc/96/11/27/571961127.db2.gz OYBIQZZVPRHQHI-HDNGXNTCSA-N 0 0 168.280 2.751 10 0 AFAERN CCCc1ccnc(CCC)c1 113936212 571961170 /nfs/dbraw/zinc/96/11/70/571961170.db2.gz SJWONNKNVPCWLA-UHFFFAOYSA-N 0 0 163.264 2.987 10 0 AFAERN CCC(C)(C)Oc1cccc(F)n1 40711351 571961659 /nfs/dbraw/zinc/96/16/59/571961659.db2.gz NQZCVGVJLDGHOH-UHFFFAOYSA-N 0 0 183.226 2.788 10 0 AFAERN CC(C)C[C@@H](O)c1ccc(F)cc1 32007583 571961707 /nfs/dbraw/zinc/96/17/07/571961707.db2.gz WHXXWRLNVHZPOJ-LLVKDONJSA-N 0 0 182.238 2.905 10 0 AFAERN CN(c1cccc(F)n1)C1CCCC1 40712010 571961893 /nfs/dbraw/zinc/96/18/93/571961893.db2.gz URYCQTMKWLIKNL-UHFFFAOYSA-N 0 0 194.253 2.600 10 0 AFAERN Cc1ccc([C@H](O)C2CC2)cc1C 32006898 571961951 /nfs/dbraw/zinc/96/19/51/571961951.db2.gz NSHXDLNNWOMQPK-GFCCVEGCSA-N 0 0 176.259 2.747 10 0 AFAERN CCc1ccc([C@H](O)C2CC2)cc1 32006894 571962000 /nfs/dbraw/zinc/96/20/00/571962000.db2.gz QAJOIUSWRDELCI-LBPRGKRZSA-N 0 0 176.259 2.692 10 0 AFAERN Cc1ccnn1C[C@H](C)CC(C)C 300821062 571962023 /nfs/dbraw/zinc/96/20/23/571962023.db2.gz BAJCCLXPTDXNTA-SNVBAGLBSA-N 0 0 180.295 2.874 10 0 AFAERN CC(C)[C@@H](O)Cc1cccc(Cl)c1 32009728 571962059 /nfs/dbraw/zinc/96/20/59/571962059.db2.gz CJZAHSMEPMGKNN-NSHDSACASA-N 0 0 198.693 2.899 10 0 AFAERN O[C@@H](Cc1ccccc1Cl)C1CC1 32009443 571962150 /nfs/dbraw/zinc/96/21/50/571962150.db2.gz WWRDKCZSXLEEIY-NSHDSACASA-N 0 0 196.677 2.653 10 0 AFAERN CCCC(=O)C1(OCC)CC(C)C1 687690329 571962161 /nfs/dbraw/zinc/96/21/61/571962161.db2.gz FIGFOTQYEXEHNM-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN O[C@H](c1cccs1)C1CCCC1 32007624 571962233 /nfs/dbraw/zinc/96/22/33/571962233.db2.gz MNIYDSONTTXVAY-JTQLQIEISA-N 0 0 182.288 2.972 10 0 AFAERN O[C@@H](c1cccs1)C1CCCC1 32007625 571962272 /nfs/dbraw/zinc/96/22/72/571962272.db2.gz MNIYDSONTTXVAY-SNVBAGLBSA-N 0 0 182.288 2.972 10 0 AFAERN CCC(CC)C[C@@H](O)C(F)(F)F 80387790 571962285 /nfs/dbraw/zinc/96/22/85/571962285.db2.gz NADPOJFRLDKLBR-SSDOTTSWSA-N 0 0 184.201 2.736 10 0 AFAERN CCC(CC)COCCC[C@H](C)O 300821431 571962293 /nfs/dbraw/zinc/96/22/93/571962293.db2.gz FTFKASAJIKIBAF-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN CC1=CSC2=N[C@H]3CCCC[C@H]3N12 40738310 571962355 /nfs/dbraw/zinc/96/23/55/571962355.db2.gz ATXOJRLXDAUSHR-DTWKUNHWSA-N 0 0 194.303 2.577 10 0 AFAERN CCO[C@]1(C(C)=O)CCCC[C@@H]1CC 687690630 571962373 /nfs/dbraw/zinc/96/23/73/571962373.db2.gz POYCWJPFDXRYLA-RYUDHWBXSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC(=O)[C@]1(OC)CCC1(C)C 687690269 571962382 /nfs/dbraw/zinc/96/23/82/571962382.db2.gz BNWWUNPMMQBGGH-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN O[C@@H](Cc1ccccc1)C1CCCC1 32008317 571962138 /nfs/dbraw/zinc/96/21/38/571962138.db2.gz KROXLQPZNPLLFC-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN CCC(=O)[C@@H](OC)C1CCC(C)CC1 687690611 571962415 /nfs/dbraw/zinc/96/24/15/571962415.db2.gz NRGXSSZUOKHIKS-CBINBANVSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ccc([C@@H](O)C2CC2)cc1C 32006896 571962461 /nfs/dbraw/zinc/96/24/61/571962461.db2.gz NSHXDLNNWOMQPK-LBPRGKRZSA-N 0 0 176.259 2.747 10 0 AFAERN O[C@@H](Cc1ccc(Cl)cc1)C1CC1 32009450 571962471 /nfs/dbraw/zinc/96/24/71/571962471.db2.gz FIXHJYQZRMODGI-NSHDSACASA-N 0 0 196.677 2.653 10 0 AFAERN Cc1ccc(OCC(C)C)cc1N 32007323 571962550 /nfs/dbraw/zinc/96/25/50/571962550.db2.gz DYFSLSAGDBABMZ-UHFFFAOYSA-N 0 0 179.263 2.612 10 0 AFAERN CC(C)[C@H](O)Cc1cccc(Cl)c1 32009729 571962700 /nfs/dbraw/zinc/96/27/00/571962700.db2.gz CJZAHSMEPMGKNN-LLVKDONJSA-N 0 0 198.693 2.899 10 0 AFAERN Cc1ccnn1C[C@@H](C)CC(C)C 300821060 571962804 /nfs/dbraw/zinc/96/28/04/571962804.db2.gz BAJCCLXPTDXNTA-JTQLQIEISA-N 0 0 180.295 2.874 10 0 AFAERN CCC(=O)[C@]1(OC)CCC(C)(C)C1 687690404 571962809 /nfs/dbraw/zinc/96/28/09/571962809.db2.gz GAQDUPGFKLSWCU-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCCO[C@@]1(C(C)=O)CCC(C)(C)C1 687690360 571962820 /nfs/dbraw/zinc/96/28/20/571962820.db2.gz CQPJDXKSIINYSW-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)[C@@]1(OC)CCCC[C@H]1CC 687690398 571962828 /nfs/dbraw/zinc/96/28/28/571962828.db2.gz FPYXAYIOVRKGFZ-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)[C@H](OC)[C@H]1CCC[C@H](C)C1 687690634 571962862 /nfs/dbraw/zinc/96/28/62/571962862.db2.gz PPVRZOBPDQUENP-JBLDHEPKSA-N 0 0 198.306 2.807 10 0 AFAERN CO[C@]1(C(C)=O)CCC[C@H](C(C)C)C1 687690314 571962944 /nfs/dbraw/zinc/96/29/44/571962944.db2.gz DUABPCZBUMCWHT-NWDGAFQWSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(CC)COCCC[C@@H](C)O 300821434 571962953 /nfs/dbraw/zinc/96/29/53/571962953.db2.gz FTFKASAJIKIBAF-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN COC[C@@](O)(C1=CCCCC1)C(C)C 234796107 571963002 /nfs/dbraw/zinc/96/30/02/571963002.db2.gz XMTZIQNWKZEHFU-LBPRGKRZSA-N 0 0 198.306 2.520 10 0 AFAERN CCC(=O)[C@H](OC)C1CCC(C)CC1 687690612 571963030 /nfs/dbraw/zinc/96/30/30/571963030.db2.gz NRGXSSZUOKHIKS-RTYFJBAXSA-N 0 0 198.306 2.807 10 0 AFAERN CCCO[C@@]1(C(C)=O)CC[C@@H](CC)C1 687690368 571963036 /nfs/dbraw/zinc/96/30/36/571963036.db2.gz DVDPTVOOMDGXPQ-NEPJUHHUSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H]1CCC[C@@](OC)(C(C)=O)C1 687690338 571963065 /nfs/dbraw/zinc/96/30/65/571963065.db2.gz BXLFGQZVMLSDBJ-QWRGUYRKSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)[C@](C)(OC)C1CCCC1 687690431 571963211 /nfs/dbraw/zinc/96/32/11/571963211.db2.gz IUPZGHBCIUKBKQ-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)[C@]1(OC)CCCC1(C)C 687690340 571963145 /nfs/dbraw/zinc/96/31/45/571963145.db2.gz CKCVKFUPTKGCPT-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccc(N)cc1OCC(C)C 32007322 571963157 /nfs/dbraw/zinc/96/31/57/571963157.db2.gz SXSMUFFHJISIML-UHFFFAOYSA-N 0 0 179.263 2.612 10 0 AFAERN Cc1cc([C@H](O)C(C)C)ccc1F 32007580 571963193 /nfs/dbraw/zinc/96/31/93/571963193.db2.gz CUABKIHVLLBGTK-LLVKDONJSA-N 0 0 182.238 2.824 10 0 AFAERN O[C@H](Cc1ccccc1)C1CCCC1 32008318 571963207 /nfs/dbraw/zinc/96/32/07/571963207.db2.gz KROXLQPZNPLLFC-CYBMUJFWSA-N 0 0 190.286 2.780 10 0 AFAERN CCC(=O)[C@H](OC)[C@@H]1CCC[C@H](C)C1 687690633 571963395 /nfs/dbraw/zinc/96/33/95/571963395.db2.gz PPVRZOBPDQUENP-HOSYDEDBSA-N 0 0 198.306 2.807 10 0 AFAERN CCO[C@]1(C(C)=O)CCCC[C@H]1CC 687690628 571963288 /nfs/dbraw/zinc/96/32/88/571963288.db2.gz POYCWJPFDXRYLA-NEPJUHHUSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)[C@]1(OC)C[C@H](C)CC[C@H]1C 687690605 571963397 /nfs/dbraw/zinc/96/33/97/571963397.db2.gz NDTCVKORVNZBJZ-FOGDFJRCSA-N 0 0 198.306 2.807 10 0 AFAERN CCCO[C@@]1(C(=O)CCC)CC[C@H]1C 687690685 571963402 /nfs/dbraw/zinc/96/34/02/571963402.db2.gz MROLRMNTYJKTFY-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H]1CCC[C@@](OC)(C(C)=O)C1 687690337 571963436 /nfs/dbraw/zinc/96/34/36/571963436.db2.gz BXLFGQZVMLSDBJ-MNOVXSKESA-N 0 0 184.279 2.561 10 0 AFAERN CCCOC1(C(=O)CCC)CC(C)C1 687690463 571963454 /nfs/dbraw/zinc/96/34/54/571963454.db2.gz HBIUTQBFORYTFP-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@]1(C(C)=O)CC(C)(C)C[C@@H]1C 687690697 571963457 /nfs/dbraw/zinc/96/34/57/571963457.db2.gz MZMZTGGUWARDMK-JOYOIKCWSA-N 0 0 198.306 2.807 10 0 AFAERN CCCC(=O)[C@@]1(OC)CCC1(C)C 687690270 571963499 /nfs/dbraw/zinc/96/34/99/571963499.db2.gz BNWWUNPMMQBGGH-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCCO[C@]1(C(=O)CCC)CC[C@H]1C 687690686 571963526 /nfs/dbraw/zinc/96/35/26/571963526.db2.gz MROLRMNTYJKTFY-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CCC[C@H](C)C[C@@H](CC)CO 80406169 571963619 /nfs/dbraw/zinc/96/36/19/571963619.db2.gz PRYOYNLJFRMWRM-VHSXEESVSA-N 0 0 158.285 2.831 10 0 AFAERN CO[C@@]1(C(C)=O)CCC[C@H](C(C)C)C1 687690315 571963623 /nfs/dbraw/zinc/96/36/23/571963623.db2.gz DUABPCZBUMCWHT-RYUDHWBXSA-N 0 0 198.306 2.807 10 0 AFAERN CCCO[C@]1(C(C)=O)CCC(C)(C)C1 687690358 571963652 /nfs/dbraw/zinc/96/36/52/571963652.db2.gz CQPJDXKSIINYSW-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@H](C(C)=O)C1CCCCCCC1 687690275 571963754 /nfs/dbraw/zinc/96/37/54/571963754.db2.gz BYAKANLPOJJCST-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)[C@H](OC)[C@H]1CCC[C@@H](C)C1 687690635 571963780 /nfs/dbraw/zinc/96/37/80/571963780.db2.gz PPVRZOBPDQUENP-JFGNBEQYSA-N 0 0 198.306 2.807 10 0 AFAERN CCO[C@@]1(C(C)=O)CCCC[C@@H]1CC 687690629 571963878 /nfs/dbraw/zinc/96/38/78/571963878.db2.gz POYCWJPFDXRYLA-NWDGAFQWSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)[C@]1(OC)CCCC[C@H]1CC 687690397 571963882 /nfs/dbraw/zinc/96/38/82/571963882.db2.gz FPYXAYIOVRKGFZ-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCCO[P@@](C)(=O)OC 32135761 571963885 /nfs/dbraw/zinc/96/38/85/571963885.db2.gz BFVHKYLTFOSXEI-NSHDSACASA-N 0 0 180.184 2.663 10 0 AFAERN CO[C@@]1(C(C)=O)CCC[C@@H](C(C)C)C1 687690311 571963891 /nfs/dbraw/zinc/96/38/91/571963891.db2.gz DUABPCZBUMCWHT-NEPJUHHUSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@@]1(OC)CCCC[C@@H]1CC 687690395 571963838 /nfs/dbraw/zinc/96/38/38/571963838.db2.gz FPYXAYIOVRKGFZ-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@@H](C(C)=O)C1CCCCCCC1 687690276 571963842 /nfs/dbraw/zinc/96/38/42/571963842.db2.gz BYAKANLPOJJCST-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)[C@@]1(OC)CCC(C)(C)C1 687690403 571963845 /nfs/dbraw/zinc/96/38/45/571963845.db2.gz GAQDUPGFKLSWCU-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCCO[C@]1(C(C)=O)CC[C@@H](CC)C1 687690374 571963940 /nfs/dbraw/zinc/96/39/40/571963940.db2.gz DVDPTVOOMDGXPQ-VXGBXAGGSA-N 0 0 198.306 2.951 10 0 AFAERN CCCO[C@@]1(C(C)=O)CC[C@H](CC)C1 687690372 571963943 /nfs/dbraw/zinc/96/39/43/571963943.db2.gz DVDPTVOOMDGXPQ-RYUDHWBXSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)[C@@]1(C)CCC=C(C)C1 32134820 571965657 /nfs/dbraw/zinc/96/56/57/571965657.db2.gz NGMHFVSDLMVOLY-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN O[C@H](CC1=CCCCC1)C(F)F 687690122 571963991 /nfs/dbraw/zinc/96/39/91/571963991.db2.gz KVFBDOPRSOSJAQ-MRVPVSSYSA-N 0 0 176.206 2.503 10 0 AFAERN CCCOC1(C(C)=O)CC(C(C)C)C1 687690569 571963997 /nfs/dbraw/zinc/96/39/97/571963997.db2.gz KIYMWMGBYJZTKP-UHFFFAOYSA-N 0 0 198.306 2.807 10 0 AFAERN OCCCCc1ccsc1Cl 687881521 571964001 /nfs/dbraw/zinc/96/40/01/571964001.db2.gz PVFXFGWGOSEYPX-UHFFFAOYSA-N 0 0 190.695 2.717 10 0 AFAERN C[C@@]12CCCC[C@H]1CCCC2=O 32135776 571964005 /nfs/dbraw/zinc/96/40/05/571964005.db2.gz DEOBYOFNFVUIGX-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN CCC(=O)[C@]1(OC)C[C@@H](C)CC[C@H]1C 687690608 571964008 /nfs/dbraw/zinc/96/40/08/571964008.db2.gz NDTCVKORVNZBJZ-UMNHJUIQSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)[C@]1(C)CCC(C)=C1C 32134818 571964023 /nfs/dbraw/zinc/96/40/23/571964023.db2.gz GADXMBFTJVBEIN-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN O[C@@H](CC1=CCCCC1)C(F)F 687690123 571964129 /nfs/dbraw/zinc/96/41/29/571964129.db2.gz KVFBDOPRSOSJAQ-QMMMGPOBSA-N 0 0 176.206 2.503 10 0 AFAERN CCO[C@@]1(C(C)=O)CC(C)(C)C[C@@H]1C 687690696 571964135 /nfs/dbraw/zinc/96/41/35/571964135.db2.gz MZMZTGGUWARDMK-CABZTGNLSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H]1CCC[C@](OC)(C(C)=O)C1 687690339 571964188 /nfs/dbraw/zinc/96/41/88/571964188.db2.gz BXLFGQZVMLSDBJ-WDEREUQCSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)[C@@]1(OC)CCCC1(C)C 687690341 571964196 /nfs/dbraw/zinc/96/41/96/571964196.db2.gz CKCVKFUPTKGCPT-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CO[C@]1(C(C)=O)CCC[C@@H](C(C)C)C1 687690317 571964310 /nfs/dbraw/zinc/96/43/10/571964310.db2.gz DUABPCZBUMCWHT-VXGBXAGGSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)C(C)(C)CNc1ccccc1 32132760 571964364 /nfs/dbraw/zinc/96/43/64/571964364.db2.gz ATSCISBTHNXTJZ-UHFFFAOYSA-N 0 0 191.274 2.714 10 0 AFAERN CC(C)c1cc(N)n(C2CCCC2)n1 40927962 571964392 /nfs/dbraw/zinc/96/43/92/571964392.db2.gz ZOBSITIMESMTQT-UHFFFAOYSA-N 0 0 193.294 2.704 10 0 AFAERN CCCO[C@@]1(C(=O)CCC)CC[C@@H]1C 687690684 571964439 /nfs/dbraw/zinc/96/44/39/571964439.db2.gz MROLRMNTYJKTFY-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@@]1(C(=O)CC)CCC(C)(C)C1 687690641 571964441 /nfs/dbraw/zinc/96/44/41/571964441.db2.gz QQQPLQDCYZAMJI-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCOC1(C(=O)CC)CC(C(C)C)C1 687690619 571964451 /nfs/dbraw/zinc/96/44/51/571964451.db2.gz PBOMRWWZFQIQHI-UHFFFAOYSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@H](OC)[C@@H]1CCC[C@@H](C)C1 687690632 571964457 /nfs/dbraw/zinc/96/44/57/571964457.db2.gz PPVRZOBPDQUENP-CKYFFXLPSA-N 0 0 198.306 2.807 10 0 AFAERN CCO[C@]1(C(=O)CC)CCC(C)(C)C1 687690640 571964460 /nfs/dbraw/zinc/96/44/60/571964460.db2.gz QQQPLQDCYZAMJI-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)[C@]1(OC)CCCC[C@@H]1CC 687690396 571964463 /nfs/dbraw/zinc/96/44/63/571964463.db2.gz FPYXAYIOVRKGFZ-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CCc1ccc([C@@H](OC)C(C)=O)s1 687691321 571964884 /nfs/dbraw/zinc/96/48/84/571964884.db2.gz OLVFGHKOWVARBJ-JTQLQIEISA-N 0 0 198.287 2.587 10 0 AFAERN CC[C@@H]1CCC[C@](OC)(C(C)=O)C1 687690336 571964498 /nfs/dbraw/zinc/96/44/98/571964498.db2.gz BXLFGQZVMLSDBJ-GHMZBOCLSA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@@]1(C(C)=O)CCCC[C@H]1CC 687690631 571964423 /nfs/dbraw/zinc/96/44/23/571964423.db2.gz POYCWJPFDXRYLA-VXGBXAGGSA-N 0 0 198.306 2.951 10 0 AFAERN CCCO[C@]1(C(C)=O)CC[C@H](CC)C1 687690370 571964426 /nfs/dbraw/zinc/96/44/26/571964426.db2.gz DVDPTVOOMDGXPQ-NWDGAFQWSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@@]1(C(C)=O)CC(C)(C)C[C@H]1C 687690698 571964427 /nfs/dbraw/zinc/96/44/27/571964427.db2.gz MZMZTGGUWARDMK-SKDRFNHKSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@@](C)(OC)C1CCCC1 687690432 571964518 /nfs/dbraw/zinc/96/45/18/571964518.db2.gz IUPZGHBCIUKBKQ-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CC1(C)CC=C[C@@]2(C)C(=O)CC[C@H]12 32133996 571964532 /nfs/dbraw/zinc/96/45/32/571964532.db2.gz LZXJVOSHOBCSAN-BXKDBHETSA-N 0 0 178.275 2.958 10 0 AFAERN CCC(=O)[C@]1(OC)C[C@@H](C)CC[C@@H]1C 687690606 571964533 /nfs/dbraw/zinc/96/45/33/571964533.db2.gz NDTCVKORVNZBJZ-NHCYSSNCSA-N 0 0 198.306 2.807 10 0 AFAERN CC1(C)CC=C[C@@]2(C)C(=O)CC[C@@H]12 32134000 571964559 /nfs/dbraw/zinc/96/45/59/571964559.db2.gz LZXJVOSHOBCSAN-JOYOIKCWSA-N 0 0 178.275 2.958 10 0 AFAERN CCC(=O)[C@]1(OC)CCC[C@H](CC)C1 687690796 571964986 /nfs/dbraw/zinc/96/49/86/571964986.db2.gz RCXJTUPREBVECV-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@]12CCCC[C@@H]1CCCC2=O 32135775 571964593 /nfs/dbraw/zinc/96/45/93/571964593.db2.gz DEOBYOFNFVUIGX-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)CCCC[C@@H](O)C1CC1 80478376 571964605 /nfs/dbraw/zinc/96/46/05/571964605.db2.gz PPWSCFRUWRTMLG-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)CC=C[C@]2(C)C(=O)CC[C@@H]12 32133998 571964606 /nfs/dbraw/zinc/96/46/06/571964606.db2.gz LZXJVOSHOBCSAN-CABZTGNLSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)CCCC[C@H](O)C1CC1 80478375 571964698 /nfs/dbraw/zinc/96/46/98/571964698.db2.gz PPWSCFRUWRTMLG-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(=O)[C@@]1(C)CCC(C)=C1C 32134817 571964717 /nfs/dbraw/zinc/96/47/17/571964717.db2.gz GADXMBFTJVBEIN-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN CC1(C)CC=C[C@]2(C)C(=O)CC[C@H]12 32133995 571964754 /nfs/dbraw/zinc/96/47/54/571964754.db2.gz LZXJVOSHOBCSAN-SKDRFNHKSA-N 0 0 178.275 2.958 10 0 AFAERN CC(=O)[C@]1(C)CCC=C(C)C1 32134819 571964783 /nfs/dbraw/zinc/96/47/83/571964783.db2.gz NGMHFVSDLMVOLY-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CCO[C@@](C)(C(=O)CC)C1(C)CC1 687691026 571964976 /nfs/dbraw/zinc/96/49/76/571964976.db2.gz RMFVHCQTJGULAO-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1ccn(CC)n1 300822842 571964844 /nfs/dbraw/zinc/96/48/44/571964844.db2.gz AXVIANASOBLLNG-NXEZZACHSA-N 0 0 195.310 2.750 10 0 AFAERN Cc1ccccc1OCOCC1CC1 235802237 571964849 /nfs/dbraw/zinc/96/48/49/571964849.db2.gz UKURZIQPFIIASZ-UHFFFAOYSA-N 0 0 192.258 2.758 10 0 AFAERN CCCO[C@@](CC)(C(C)=O)C1CC1 687690969 571964863 /nfs/dbraw/zinc/96/48/63/571964863.db2.gz QFMMSCBKCZKZRR-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCCO[C@@]1(C(=O)CC)CC[C@H]1C 687691185 571964907 /nfs/dbraw/zinc/96/49/07/571964907.db2.gz VVMNPJZOWSXKHK-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN c1cnnc(C2CCCCC2)c1 113464782 571964913 /nfs/dbraw/zinc/96/49/13/571964913.db2.gz PLKROHNMZPCGLD-UHFFFAOYSA-N 0 0 162.236 2.524 10 0 AFAERN CCO[C@@]1(C(C)=O)CCC[C@H](CC)C1 687691007 571964914 /nfs/dbraw/zinc/96/49/14/571964914.db2.gz ZPCYVIVGUORQBP-RYUDHWBXSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@]12CCCCC(=O)[C@@H]1CCC2 32134809 571964982 /nfs/dbraw/zinc/96/49/82/571964982.db2.gz NXZBFZHTKMMBPY-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@]12CCCCC(=O)[C@H]1CCC2 32134811 571964942 /nfs/dbraw/zinc/96/49/42/571964942.db2.gz NXZBFZHTKMMBPY-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@@H]1CCC[C@](OC)(C(C)=O)CC1 687690987 571964945 /nfs/dbraw/zinc/96/49/45/571964945.db2.gz YKEBGYWWOCNRRR-VXGBXAGGSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@@]1(C(C)=O)CCCCC1(C)C 687690957 571964947 /nfs/dbraw/zinc/96/49/47/571964947.db2.gz XITZSUVXBDCOCD-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@@]1(C(=O)CC)CC[C@H](CC)C1 687690914 571964967 /nfs/dbraw/zinc/96/49/67/571964967.db2.gz WCVUNTMSQIMJKC-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H](O)CCCc1cccc(F)c1 80477978 571965054 /nfs/dbraw/zinc/96/50/54/571965054.db2.gz BNIPCVLDCUFZHB-GFCCVEGCSA-N 0 0 196.265 2.919 10 0 AFAERN C[C@@]12CC[C@H]3C(=O)C[C@@H]1[C@@]3(C)CC2 32134679 571965066 /nfs/dbraw/zinc/96/50/66/571965066.db2.gz XKLVEBRFZOMFFO-VGDYDELISA-N 0 0 178.275 2.792 10 0 AFAERN CC[C@H]1CCC[C@](OC)(C(C)=O)CC1 687690984 571965092 /nfs/dbraw/zinc/96/50/92/571965092.db2.gz YKEBGYWWOCNRRR-NWDGAFQWSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](C)C[C@@]1(O)CCS[C@@H]1C 233987287 571973475 /nfs/dbraw/zinc/97/34/75/571973475.db2.gz HQIPITJKHDTKTB-AEJSXWLSSA-N 0 0 188.336 2.679 10 0 AFAERN O=C(CC1CCCCC1)c1c[nH]cn1 32135352 571965130 /nfs/dbraw/zinc/96/51/30/571965130.db2.gz YZNJOCLCSVNTSW-UHFFFAOYSA-N 0 0 192.262 2.563 10 0 AFAERN CCCC(=O)[C@@]1(OC)CCC(C)(C)C1 687690893 571965171 /nfs/dbraw/zinc/96/51/71/571965171.db2.gz VDTGOMAKNVQYEG-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](O)CCCc1cccc(F)c1 80477973 571965233 /nfs/dbraw/zinc/96/52/33/571965233.db2.gz BNIPCVLDCUFZHB-LBPRGKRZSA-N 0 0 196.265 2.919 10 0 AFAERN CC[C@@H](C)c1nc(O)c(C(C)C)[nH]1 233981746 571965246 /nfs/dbraw/zinc/96/52/46/571965246.db2.gz MYZKSRVDBBGAKD-SSDOTTSWSA-N 0 0 182.267 2.752 10 0 AFAERN c1coc(Cc2nc3ccccc3[nH]2)c1 39277886 571965268 /nfs/dbraw/zinc/96/52/68/571965268.db2.gz DGEZZWLUYFXYSZ-UHFFFAOYSA-N 0 0 198.225 2.747 10 0 AFAERN CCO[C@]1(C(C)=O)CCC[C@H](CC)C1 687691004 571965283 /nfs/dbraw/zinc/96/52/83/571965283.db2.gz ZPCYVIVGUORQBP-NWDGAFQWSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@H](C(C)=O)[C@@H](C)C1CCCCC1 687690902 571965319 /nfs/dbraw/zinc/96/53/19/571965319.db2.gz PKLGQWVBYQCEHD-CABZTGNLSA-N 0 0 198.306 2.807 10 0 AFAERN CCCO[C@](CC)(C(=O)CC)C1CC1 687691171 571965321 /nfs/dbraw/zinc/96/53/21/571965321.db2.gz UHUYSACDBCRZOC-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@](CCC(C)C)(C(C)=O)C1CC1 687690976 571965355 /nfs/dbraw/zinc/96/53/55/571965355.db2.gz YJYZVFUFLADSRZ-GFCCVEGCSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@@]12CCCC[C@@H]1CCCC2=O 32135774 571965365 /nfs/dbraw/zinc/96/53/65/571965365.db2.gz DEOBYOFNFVUIGX-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN CCCC(=O)[C@@](CC)(OC)C1CC1 687691247 571965366 /nfs/dbraw/zinc/96/53/66/571965366.db2.gz YQTGOXLMMBQLTG-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H]1CCC[C@@](OC)(C(C)=O)CC1 687690982 571965368 /nfs/dbraw/zinc/96/53/68/571965368.db2.gz YKEBGYWWOCNRRR-NEPJUHHUSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@]1(C(C)=O)CC[C@@H](CC)C1 687690925 571965384 /nfs/dbraw/zinc/96/53/84/571965384.db2.gz WOTOIHLQHFNGMC-GHMZBOCLSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1ccn(CC)n1 300822848 571965398 /nfs/dbraw/zinc/96/53/98/571965398.db2.gz AXVIANASOBLLNG-ZJUUUORDSA-N 0 0 195.310 2.750 10 0 AFAERN CCCCCCNc1cc(C)n(C)n1 300824804 571965417 /nfs/dbraw/zinc/96/54/17/571965417.db2.gz BGGQJIQJUCJGDD-UHFFFAOYSA-N 0 0 195.310 2.721 10 0 AFAERN CCC(=O)[C@@]1(OC)CCC[C@H](CC)C1 687690794 571965436 /nfs/dbraw/zinc/96/54/36/571965436.db2.gz RCXJTUPREBVECV-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CCC[C@@H](C)C[C@@H](CC)CO 80406163 571965438 /nfs/dbraw/zinc/96/54/38/571965438.db2.gz PRYOYNLJFRMWRM-NXEZZACHSA-N 0 0 158.285 2.831 10 0 AFAERN Cc1ccccc1-c1ccc(N)c(C)n1 235803335 571965452 /nfs/dbraw/zinc/96/54/52/571965452.db2.gz XCDRABVYCFOPLL-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCO[C@H](C(C)=O)[C@H](C)C(C)(C)C 687691167 571965493 /nfs/dbraw/zinc/96/54/93/571965493.db2.gz JRNOSVHGZAEYDY-WPRPVWTQSA-N 0 0 186.295 2.663 10 0 AFAERN CCO[C@H](C(C)=O)[C@@H](C)C(C)(C)C 687691165 571965574 /nfs/dbraw/zinc/96/55/74/571965574.db2.gz JRNOSVHGZAEYDY-SCZZXKLOSA-N 0 0 186.295 2.663 10 0 AFAERN O=Cc1cnn(C2CCCCCC2)c1 40928428 571965794 /nfs/dbraw/zinc/96/57/94/571965794.db2.gz KLUGSECARFKEAC-UHFFFAOYSA-N 0 0 192.262 2.591 10 0 AFAERN C[C@]12CCCC[C@H]1CCCC2=O 32135777 571965798 /nfs/dbraw/zinc/96/57/98/571965798.db2.gz DEOBYOFNFVUIGX-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CCC[C@H](C)C[C@H](CC)CO 80406176 571965916 /nfs/dbraw/zinc/96/59/16/571965916.db2.gz PRYOYNLJFRMWRM-UWVGGRQHSA-N 0 0 158.285 2.831 10 0 AFAERN CC(C)n1cc(C=O)c(C(C)(C)C)n1 40926179 571965930 /nfs/dbraw/zinc/96/59/30/571965930.db2.gz BSNYTBDUXZUVSG-UHFFFAOYSA-N 0 0 194.278 2.574 10 0 AFAERN CCC[C@@](CC)(OC)C(=O)CC 687691362 571965944 /nfs/dbraw/zinc/96/59/44/571965944.db2.gz QGQKNTSOSAEMAH-SNVBAGLBSA-N 0 0 172.268 2.561 10 0 AFAERN CC1(C)Cc2cc(F)ccc2N1 39088201 571966711 /nfs/dbraw/zinc/96/67/11/571966711.db2.gz DJEBQSLSHBSJGM-UHFFFAOYSA-N 0 0 165.211 2.572 10 0 AFAERN CCCO[C@@](C)(C(C)=O)C1CCCC1 687690924 571965978 /nfs/dbraw/zinc/96/59/78/571965978.db2.gz WLRNXERRZJKXGT-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@@]1(C(C)=O)CC[C@H](CC)C1 687690927 571965995 /nfs/dbraw/zinc/96/59/95/571965995.db2.gz WOTOIHLQHFNGMC-QWRGUYRKSA-N 0 0 184.279 2.561 10 0 AFAERN CSc1cocc1Br 32302101 571976136 /nfs/dbraw/zinc/97/61/36/571976136.db2.gz UQSGIVQTZOUMHN-UHFFFAOYSA-N 0 0 193.065 2.764 10 0 AFAERN CCO[C@@]1(C(=O)CC)CC[C@@H](CC)C1 687690915 571966018 /nfs/dbraw/zinc/96/60/18/571966018.db2.gz WCVUNTMSQIMJKC-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@](C)(C(=O)CC)C1(C)CC1 687691024 571966022 /nfs/dbraw/zinc/96/60/22/571966022.db2.gz RMFVHCQTJGULAO-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@]12CCCCC(=O)[C@@H]1CCC2 32134808 571966054 /nfs/dbraw/zinc/96/60/54/571966054.db2.gz NXZBFZHTKMMBPY-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CCCC(=O)[C@@H](OCC)C1CCC1 687690837 571966070 /nfs/dbraw/zinc/96/60/70/571966070.db2.gz RUSVVPVBNPNRFL-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCCO[C@@]1(C(=O)CC)CC[C@@H]1C 687691187 571966095 /nfs/dbraw/zinc/96/60/95/571966095.db2.gz VVMNPJZOWSXKHK-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CCCO[C@](CC)(C(C)=O)C1CC1 687690968 571966104 /nfs/dbraw/zinc/96/61/04/571966104.db2.gz QFMMSCBKCZKZRR-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC(=O)[C@@]1(OC)CCCC1(C)C 687690792 571966107 /nfs/dbraw/zinc/96/61/07/571966107.db2.gz QZIHCIFPSUQNOH-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@]1(C(C)=O)CCCCC1(C)C 687690959 571966112 /nfs/dbraw/zinc/96/61/12/571966112.db2.gz XITZSUVXBDCOCD-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC[C@H](C)NC(=O)C=C(C)C 300827146 571966160 /nfs/dbraw/zinc/96/61/60/571966160.db2.gz NWIRQJXVFSFQJW-JTQLQIEISA-N 0 0 183.295 2.648 10 0 AFAERN CCC(=O)[C@@H](OC)c1sccc1C 687691679 571966168 /nfs/dbraw/zinc/96/61/68/571966168.db2.gz JUNHHFSKINEVSH-SECBINFHSA-N 0 0 198.287 2.723 10 0 AFAERN CCCC(=O)[C@]1(OCC)CC[C@H]2C[C@H]21 687691213 571966208 /nfs/dbraw/zinc/96/62/08/571966208.db2.gz WTWHUHPSLXDGET-UMNHJUIQSA-N 0 0 196.290 2.561 10 0 AFAERN CO[C@@H](C(C)=O)[C@H](C)C1CCCCC1 687690900 571966224 /nfs/dbraw/zinc/96/62/24/571966224.db2.gz PKLGQWVBYQCEHD-BXKDBHETSA-N 0 0 198.306 2.807 10 0 AFAERN CO[C@@](CCC(C)C)(C(C)=O)C1CC1 687690980 571966247 /nfs/dbraw/zinc/96/62/47/571966247.db2.gz YJYZVFUFLADSRZ-LBPRGKRZSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@H](OC)c1sccc1C 687691680 571966251 /nfs/dbraw/zinc/96/62/51/571966251.db2.gz JUNHHFSKINEVSH-VIFPVBQESA-N 0 0 198.287 2.723 10 0 AFAERN CCO[C@]1(C(C)=O)CCC[C@@H](CC)C1 687691009 571966281 /nfs/dbraw/zinc/96/62/81/571966281.db2.gz ZPCYVIVGUORQBP-VXGBXAGGSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@H](C(C)=O)C(C(C)C)C(C)C 687691465 571966297 /nfs/dbraw/zinc/96/62/97/571966297.db2.gz VHTCOQPZEUMPQQ-LLVKDONJSA-N 0 0 186.295 2.519 10 0 AFAERN CCO[C@@H](C(C)=O)[C@H](C)C(C)(C)C 687691166 571966851 /nfs/dbraw/zinc/96/68/51/571966851.db2.gz JRNOSVHGZAEYDY-WCBMZHEXSA-N 0 0 186.295 2.663 10 0 AFAERN CO[C@@H](C(C)=O)C1CCC(C)(C)CC1 687690883 571966303 /nfs/dbraw/zinc/96/63/03/571966303.db2.gz UPJROHUNIZXEHK-NSHDSACASA-N 0 0 198.306 2.807 10 0 AFAERN CCO[C@]1(C(=O)CC)CC[C@H](CC)C1 687690911 571966313 /nfs/dbraw/zinc/96/63/13/571966313.db2.gz WCVUNTMSQIMJKC-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CC1=N[C@](C)(c2ccccc2)CCO1 32137620 571966360 /nfs/dbraw/zinc/96/63/60/571966360.db2.gz WYOTVQDEMVRUNJ-LBPRGKRZSA-N 0 0 189.258 2.741 10 0 AFAERN CCCC(=O)[C@]1(OC)CCC(C)(C)C1 687690895 571966365 /nfs/dbraw/zinc/96/63/65/571966365.db2.gz VDTGOMAKNVQYEG-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@H](C(C)=O)C1CCC(C)(C)CC1 687690880 571966373 /nfs/dbraw/zinc/96/63/73/571966373.db2.gz UPJROHUNIZXEHK-LLVKDONJSA-N 0 0 198.306 2.807 10 0 AFAERN CCO[C@]1(C(=O)CC)CC[C@@H](CC)C1 687690917 571966393 /nfs/dbraw/zinc/96/63/93/571966393.db2.gz WCVUNTMSQIMJKC-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@@H](C(C)=O)C(C(C)C)C(C)C 687691466 571966419 /nfs/dbraw/zinc/96/64/19/571966419.db2.gz VHTCOQPZEUMPQQ-NSHDSACASA-N 0 0 186.295 2.519 10 0 AFAERN CCCC(=O)[C@H](OCC)C1CCC1 687690834 571966431 /nfs/dbraw/zinc/96/64/31/571966431.db2.gz RUSVVPVBNPNRFL-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@H](C(C)=O)[C@H](C)CC(C)C 687691091 571966434 /nfs/dbraw/zinc/96/64/34/571966434.db2.gz AXTFVEOGJWADEY-KOLCDFICSA-N 0 0 186.295 2.663 10 0 AFAERN CC[C@H]1CCC[C@@](OC)(C(C)=O)CC1 687690986 571966443 /nfs/dbraw/zinc/96/64/43/571966443.db2.gz YKEBGYWWOCNRRR-RYUDHWBXSA-N 0 0 198.306 2.951 10 0 AFAERN CCC[C@](CC)(OCC)C(=O)CC 687691356 571966447 /nfs/dbraw/zinc/96/64/47/571966447.db2.gz PVKLLSJYAPDQLI-NSHDSACASA-N 0 0 186.295 2.951 10 0 AFAERN CO[C@]1(C(C)=O)CCC[C@H](C)CC1 687690930 571966450 /nfs/dbraw/zinc/96/64/50/571966450.db2.gz WPWMIRJDZYLRBR-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC(=O)[C@]1(OC)CCCC1(C)C 687690786 571966458 /nfs/dbraw/zinc/96/64/58/571966458.db2.gz QZIHCIFPSUQNOH-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCc1cc2cccc(OC)c2[nH]1 39089928 571966459 /nfs/dbraw/zinc/96/64/59/571966459.db2.gz ZIWLGBFLJVCQPP-UHFFFAOYSA-N 0 0 175.231 2.739 10 0 AFAERN CO[C@H](C(C)=O)[C@H](C)C1CCCCC1 687690905 571966470 /nfs/dbraw/zinc/96/64/70/571966470.db2.gz PKLGQWVBYQCEHD-SKDRFNHKSA-N 0 0 198.306 2.807 10 0 AFAERN CCCC(=O)[C@@](CC)(CCC)OC 687691477 571966484 /nfs/dbraw/zinc/96/64/84/571966484.db2.gz VVKJNCKPLILVKF-LLVKDONJSA-N 0 0 186.295 2.951 10 0 AFAERN CCCC(=O)[C@@](C)(OC)C1(C)CC1 687690497 571966502 /nfs/dbraw/zinc/96/65/02/571966502.db2.gz JSSGWIGRVZJVDQ-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC(=O)[C@](C)(OC)C1(C)CC1 687690498 571966519 /nfs/dbraw/zinc/96/65/19/571966519.db2.gz JSSGWIGRVZJVDQ-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@@H](C)C(=O)CC1CCCC1 80742458 571968097 /nfs/dbraw/zinc/96/80/97/571968097.db2.gz WWPRIEZYDBVYLS-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@]1(C(C)=O)CC[C@H](CC)C1 687690928 571966552 /nfs/dbraw/zinc/96/65/52/571966552.db2.gz WOTOIHLQHFNGMC-WDEREUQCSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@]12CCCC[C@@H]1C(=O)CCC2 32148771 571966562 /nfs/dbraw/zinc/96/65/62/571966562.db2.gz RQHJLERDPUPXFD-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN CCC[C@](CC)(OC)C(=O)CC 687691360 571966576 /nfs/dbraw/zinc/96/65/76/571966576.db2.gz QGQKNTSOSAEMAH-JTQLQIEISA-N 0 0 172.268 2.561 10 0 AFAERN CCCCCC[C@H](O)[C@@H](C)OCC 80742574 571966824 /nfs/dbraw/zinc/96/68/24/571966824.db2.gz OZPSNFPXVIKTNE-MNOVXSKESA-N 0 0 188.311 2.743 10 0 AFAERN CCO[C@@H](C(C)=O)[C@@H](C)CC(C)C 687691090 571966596 /nfs/dbraw/zinc/96/65/96/571966596.db2.gz AXTFVEOGJWADEY-GXSJLCMTSA-N 0 0 186.295 2.663 10 0 AFAERN CCO[C@@H](C(C)=O)[C@H](C)CC(C)C 687691092 571966611 /nfs/dbraw/zinc/96/66/11/571966611.db2.gz AXTFVEOGJWADEY-MWLCHTKSSA-N 0 0 186.295 2.663 10 0 AFAERN CCCC(=O)[C@](CC)(OC)C1CC1 687691246 571966632 /nfs/dbraw/zinc/96/66/32/571966632.db2.gz YQTGOXLMMBQLTG-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@]12CCCC[C@H]1C(=O)CCC2 32148776 571966829 /nfs/dbraw/zinc/96/68/29/571966829.db2.gz RQHJLERDPUPXFD-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CCCC(=O)[C@](CC)(CCC)OC 687691478 571966669 /nfs/dbraw/zinc/96/66/69/571966669.db2.gz VVKJNCKPLILVKF-NSHDSACASA-N 0 0 186.295 2.951 10 0 AFAERN CCO[C@H](C(C)=O)[C@@H](C)CC(C)C 687691093 571966716 /nfs/dbraw/zinc/96/67/16/571966716.db2.gz AXTFVEOGJWADEY-ONGXEEELSA-N 0 0 186.295 2.663 10 0 AFAERN CCC(=O)[C@@]1(OC)CCC[C@@H](CC)C1 687690798 571966719 /nfs/dbraw/zinc/96/67/19/571966719.db2.gz RCXJTUPREBVECV-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@@]1(C(C)=O)CCC[C@@H](CC)C1 687691002 571966742 /nfs/dbraw/zinc/96/67/42/571966742.db2.gz ZPCYVIVGUORQBP-NEPJUHHUSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@@]1(C(C)=O)CCC[C@@H](C)CC1 687690931 571966762 /nfs/dbraw/zinc/96/67/62/571966762.db2.gz WPWMIRJDZYLRBR-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@@]1(C(C)=O)CC[C@@H](CC)C1 687690926 571966774 /nfs/dbraw/zinc/96/67/74/571966774.db2.gz WOTOIHLQHFNGMC-MNOVXSKESA-N 0 0 184.279 2.561 10 0 AFAERN CCc1ccc([C@H](OC)C(C)=O)s1 687691322 571966787 /nfs/dbraw/zinc/96/67/87/571966787.db2.gz OLVFGHKOWVARBJ-SNVBAGLBSA-N 0 0 198.287 2.587 10 0 AFAERN ClN(Cl)C1CCCCC1 32151909 571966811 /nfs/dbraw/zinc/96/68/11/571966811.db2.gz CFLUYJQBWLZVDH-UHFFFAOYSA-N 0 0 168.067 2.929 10 0 AFAERN CO[C@@H](C(C)=O)[C@@H](C)C1CCCCC1 687690903 571966812 /nfs/dbraw/zinc/96/68/12/571966812.db2.gz PKLGQWVBYQCEHD-JOYOIKCWSA-N 0 0 198.306 2.807 10 0 AFAERN CC1=N[C@@](C)(c2ccccc2)CCO1 32137619 571966907 /nfs/dbraw/zinc/96/69/07/571966907.db2.gz WYOTVQDEMVRUNJ-GFCCVEGCSA-N 0 0 189.258 2.741 10 0 AFAERN CCC(=O)[C@]1(OC)CCC[C@@H](CC)C1 687690797 571966928 /nfs/dbraw/zinc/96/69/28/571966928.db2.gz RCXJTUPREBVECV-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@@]1(C(C)=O)CCC[C@H](C)CC1 687690933 571966969 /nfs/dbraw/zinc/96/69/69/571966969.db2.gz WPWMIRJDZYLRBR-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CCC[C@@](CC)(OCC)C(=O)CC 687691355 571966999 /nfs/dbraw/zinc/96/69/99/571966999.db2.gz PVKLLSJYAPDQLI-LLVKDONJSA-N 0 0 186.295 2.951 10 0 AFAERN CC(C)c1ccsc1 32152183 571967039 /nfs/dbraw/zinc/96/70/39/571967039.db2.gz LJPDBPCGTFTUDE-UHFFFAOYSA-N 0 0 126.224 2.872 10 0 AFAERN CCCO[C@@](CC)(C(=O)CC)C1CC1 687691170 571967040 /nfs/dbraw/zinc/96/70/40/571967040.db2.gz UHUYSACDBCRZOC-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@]1(C(C)=O)CCC[C@@H](C)CC1 687690932 571967047 /nfs/dbraw/zinc/96/70/47/571967047.db2.gz WPWMIRJDZYLRBR-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CCCO[C@]1(C(=O)CC)CC[C@@H]1C 687691184 571967067 /nfs/dbraw/zinc/96/70/67/571967067.db2.gz VVMNPJZOWSXKHK-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CC1=CC=CC(C)(C)[C@@]12CCC2=O 32142033 571967153 /nfs/dbraw/zinc/96/71/53/571967153.db2.gz NTZRGEMBVJWMIR-LBPRGKRZSA-N 0 0 176.259 2.878 10 0 AFAERN CCCCCC[C@@H](O)[C@@H](C)OCC 80742576 571967223 /nfs/dbraw/zinc/96/72/23/571967223.db2.gz OZPSNFPXVIKTNE-GHMZBOCLSA-N 0 0 188.311 2.743 10 0 AFAERN CC[C@H](C)CC1([C@@H](C)O)CC1 233985106 571967224 /nfs/dbraw/zinc/96/72/24/571967224.db2.gz XUUZVLLHVWCRDN-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN CCc1[nH]c(C)c(C)c1C 32146841 571967227 /nfs/dbraw/zinc/96/72/27/571967227.db2.gz COLWCZJTSIGRQI-UHFFFAOYSA-N 0 0 137.226 2.502 10 0 AFAERN CC1(c2cccs2)CC1 32149064 571967268 /nfs/dbraw/zinc/96/72/68/571967268.db2.gz JZLBUDMNNZRCKH-UHFFFAOYSA-N 0 0 138.235 2.800 10 0 AFAERN CC[C@H](C)CC1([C@H](C)O)CC1 233985166 571967383 /nfs/dbraw/zinc/96/73/83/571967383.db2.gz XUUZVLLHVWCRDN-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)CC1(C(C)=O)CC1 233984727 571967082 /nfs/dbraw/zinc/96/70/82/571967082.db2.gz FYLSUNRKBOTIEE-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC(=O)[C@]1(OCC)CC[C@@H]2C[C@@H]21 687691212 571967090 /nfs/dbraw/zinc/96/70/90/571967090.db2.gz WTWHUHPSLXDGET-SCVCMEIPSA-N 0 0 196.290 2.561 10 0 AFAERN CCO[C@@H](C(C)=O)[C@@H](C)C(C)(C)C 687691164 571967094 /nfs/dbraw/zinc/96/70/94/571967094.db2.gz JRNOSVHGZAEYDY-PSASIEDQSA-N 0 0 186.295 2.663 10 0 AFAERN CCCC[C@@H](C)NC(=O)C=C(C)C 300827148 571967099 /nfs/dbraw/zinc/96/70/99/571967099.db2.gz NWIRQJXVFSFQJW-SNVBAGLBSA-N 0 0 183.295 2.648 10 0 AFAERN OC[C@@H]1C[C@H]1c1ccc2ccccc2c1 80685872 571967491 /nfs/dbraw/zinc/96/74/91/571967491.db2.gz TVAUWQFIRXTPGI-KBPBESRZSA-N 0 0 198.265 2.936 10 0 AFAERN C[C@@H]1[C@H](O)CC[C@@H]2CCCC[C@]21C 32136040 571967529 /nfs/dbraw/zinc/96/75/29/571967529.db2.gz XPPNYQFQTMRNMO-KXNHARMFSA-N 0 0 182.307 2.974 10 0 AFAERN CCO[C@]1(C(C)=O)CCCC(C)(C)C1 687692499 571967570 /nfs/dbraw/zinc/96/75/70/571967570.db2.gz LXISDCANYMACFM-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@]12CCCC[C@H]1C(=O)CCC2 32148781 571967582 /nfs/dbraw/zinc/96/75/82/571967582.db2.gz RQHJLERDPUPXFD-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN CC1=C(C)[C@@]2(C)CC(=O)C[C@]12C 32145117 571967607 /nfs/dbraw/zinc/96/76/07/571967607.db2.gz GJJOFIVOZHFZIX-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN OC[C@H]1C[C@@H]1c1ccc2ccccc2c1 80685870 571967637 /nfs/dbraw/zinc/96/76/37/571967637.db2.gz TVAUWQFIRXTPGI-ZIAGYGMSSA-N 0 0 198.265 2.936 10 0 AFAERN O=C1CC[C@]23CCCCC[C@]12C3 32146444 571967557 /nfs/dbraw/zinc/96/75/57/571967557.db2.gz WTMXXBBMNDLFNZ-QWRGUYRKSA-N 0 0 164.248 2.690 10 0 AFAERN CCC(=O)[C@@H](CC1CCCCC1)OC 687692705 571967568 /nfs/dbraw/zinc/96/75/68/571967568.db2.gz OGZQFPJSAFZOCC-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCCC[C@H](O)[C@H](C)OCC 80742579 571967653 /nfs/dbraw/zinc/96/76/53/571967653.db2.gz OZPSNFPXVIKTNE-QWRGUYRKSA-N 0 0 188.311 2.743 10 0 AFAERN CC1(C)[C@H]2C=C[C@]3(C)C(=O)CC[C@@]213 32141766 571967706 /nfs/dbraw/zinc/96/77/06/571967706.db2.gz KWFCZMCFCFEYOP-GGZOMVNGSA-N 0 0 176.259 2.568 10 0 AFAERN CC1=C(C)[C@]2(C)CC(=O)C[C@]12C 32145110 571967726 /nfs/dbraw/zinc/96/77/26/571967726.db2.gz GJJOFIVOZHFZIX-PHIMTYICSA-N 0 0 164.248 2.712 10 0 AFAERN CCC(=O)[C@]1(OC)CC[C@@H](C)C[C@@H]1C 687692753 571967744 /nfs/dbraw/zinc/96/77/44/571967744.db2.gz RZMIJIXLMPJOGD-SCVCMEIPSA-N 0 0 198.306 2.807 10 0 AFAERN CCC[C@@](OCC)(C(=O)CC)C1CC1 687693039 571967746 /nfs/dbraw/zinc/96/77/46/571967746.db2.gz IFVTWCIEBGWPAH-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCC[C@H]1CC[C@@H](CC)C1=O 32136171 571967752 /nfs/dbraw/zinc/96/77/52/571967752.db2.gz KEFKTZLIAJYSDB-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN O=C1CC[C@@]23CCCCC[C@@]12C3 32146440 571967765 /nfs/dbraw/zinc/96/77/65/571967765.db2.gz WTMXXBBMNDLFNZ-GHMZBOCLSA-N 0 0 164.248 2.690 10 0 AFAERN CCC[C@H]1CC[C@H](CC)C1=O 32136173 571967783 /nfs/dbraw/zinc/96/77/83/571967783.db2.gz KEFKTZLIAJYSDB-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CO[C@@]1(C(C)=O)CCCC12CCCC2 687692986 571967805 /nfs/dbraw/zinc/96/78/05/571967805.db2.gz WQUNLINHVGUIEE-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN CCC[C@@H]1CC[C@H](CC)C1=O 32136172 571967818 /nfs/dbraw/zinc/96/78/18/571967818.db2.gz KEFKTZLIAJYSDB-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CC1=C(C)[C@]2(C)CC(=O)C[C@@]12C 32145114 571967821 /nfs/dbraw/zinc/96/78/21/571967821.db2.gz GJJOFIVOZHFZIX-QWRGUYRKSA-N 0 0 164.248 2.712 10 0 AFAERN CCCC(=O)[C@@](C)(OC)[C@H](C)CC 687692368 571967868 /nfs/dbraw/zinc/96/78/68/571967868.db2.gz MTCPXHZAXCGZPD-KOLCDFICSA-N 0 0 186.295 2.807 10 0 AFAERN CC1=CC=CC(C)(C)[C@]12CCC2=O 32142036 571967912 /nfs/dbraw/zinc/96/79/12/571967912.db2.gz NTZRGEMBVJWMIR-GFCCVEGCSA-N 0 0 176.259 2.878 10 0 AFAERN CCO[C@H](C)C(=O)CC1CCCC1 80742461 571967925 /nfs/dbraw/zinc/96/79/25/571967925.db2.gz WWPRIEZYDBVYLS-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC(=O)[C@](C)(OC)[C@@H](C)CC 687692367 571967936 /nfs/dbraw/zinc/96/79/36/571967936.db2.gz MTCPXHZAXCGZPD-GXSJLCMTSA-N 0 0 186.295 2.807 10 0 AFAERN c1ccc2c(c1)NCC1CC2C1 32137547 571967941 /nfs/dbraw/zinc/96/79/41/571967941.db2.gz CHGFVFJOZXPPDI-UHFFFAOYSA-N 0 0 159.232 2.606 10 0 AFAERN C[C@@]12CCCC[C@@H]1C(=O)CCC2 32148768 571967990 /nfs/dbraw/zinc/96/79/90/571967990.db2.gz RQHJLERDPUPXFD-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN CC1(C)c2cccnc2-c2ncccc21 59717155 571968329 /nfs/dbraw/zinc/96/83/29/571968329.db2.gz RQNCACWEFNGDAG-UHFFFAOYSA-N 0 0 196.253 2.783 10 0 AFAERN CCCCCC(C)(C)CO 32139613 571968007 /nfs/dbraw/zinc/96/80/07/571968007.db2.gz WENIXZFPXMQPQQ-UHFFFAOYSA-N 0 0 144.258 2.585 10 0 AFAERN CCC(=O)[C@]1(OC)CC[C@@H](C)[C@@H](C)C1 687692429 571968025 /nfs/dbraw/zinc/96/80/25/571968025.db2.gz BYHFXIIUYDXZRM-SCVCMEIPSA-N 0 0 198.306 2.807 10 0 AFAERN CCO[C@]1(C(C)=O)CC[C@@H](C)[C@H](C)C1 687692421 571968067 /nfs/dbraw/zinc/96/80/67/571968067.db2.gz BJQLFLBUPHDNFM-CKYFFXLPSA-N 0 0 198.306 2.807 10 0 AFAERN CCC[C@@H]1CC[C@@H](CC)C1=O 32136170 571968077 /nfs/dbraw/zinc/96/80/77/571968077.db2.gz KEFKTZLIAJYSDB-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN OC[C@H]1C[C@H]1c1ccc2ccccc2c1 80685869 571968087 /nfs/dbraw/zinc/96/80/87/571968087.db2.gz TVAUWQFIRXTPGI-KGLIPLIRSA-N 0 0 198.265 2.936 10 0 AFAERN CCC(=O)[C@]1(OC)CC[C@H](C)C[C@H]1C 687692754 571968118 /nfs/dbraw/zinc/96/81/18/571968118.db2.gz RZMIJIXLMPJOGD-UMNHJUIQSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@]1(OC)CC[C@@H](C)C[C@H]1C 687692751 571968123 /nfs/dbraw/zinc/96/81/23/571968123.db2.gz RZMIJIXLMPJOGD-FOGDFJRCSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@]1(OC)CCC[C@H](C)[C@H]1C 687692436 571968222 /nfs/dbraw/zinc/96/82/22/571968222.db2.gz FGXGPEHLNBSLKG-UMNHJUIQSA-N 0 0 198.306 2.807 10 0 AFAERN CCO[C@@]1(C(C)=O)CCCC(C)(C)C1 687692500 571968142 /nfs/dbraw/zinc/96/81/42/571968142.db2.gz LXISDCANYMACFM-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN COC(C(C)=O)(C1CCC1)C1CCC1 687693003 571968248 /nfs/dbraw/zinc/96/82/48/571968248.db2.gz ZVRHCGILVNGWKQ-UHFFFAOYSA-N 0 0 196.290 2.561 10 0 AFAERN CCC[C@](OCC)(C(=O)CC)C1CC1 687693038 571968274 /nfs/dbraw/zinc/96/82/74/571968274.db2.gz IFVTWCIEBGWPAH-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@]1(C(=O)CC)CCC[C@@H]2C[C@@H]21 687692924 571968289 /nfs/dbraw/zinc/96/82/89/571968289.db2.gz ANVWIJUJYMEBHV-JFGNBEQYSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@]12CCCO[C@@H]1Nc1ccccc12 32168395 571968348 /nfs/dbraw/zinc/96/83/48/571968348.db2.gz KCOSCYSNLYDUEW-NWDGAFQWSA-N 0 0 189.258 2.506 10 0 AFAERN CCCC(=O)[C@](C)(OC)[C@H](C)CC 687692369 571968305 /nfs/dbraw/zinc/96/83/05/571968305.db2.gz MTCPXHZAXCGZPD-MWLCHTKSSA-N 0 0 186.295 2.807 10 0 AFAERN Cc1ccc(C)c(CC[C@@H](C)O)c1C 32155247 571968314 /nfs/dbraw/zinc/96/83/14/571968314.db2.gz IMXWSBUOJQZJJZ-LLVKDONJSA-N 0 0 192.302 2.925 10 0 AFAERN CCC(=O)[C@]1(OC)CC[C@H](C)[C@@H](C)C1 687692428 571968637 /nfs/dbraw/zinc/96/86/37/571968637.db2.gz BYHFXIIUYDXZRM-NHCYSSNCSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@]1(OC)CCC[C@@H](C)[C@H]1C 687692433 571968390 /nfs/dbraw/zinc/96/83/90/571968390.db2.gz FGXGPEHLNBSLKG-FOGDFJRCSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@]1(OC)CC[C@@H](C)[C@H](C)C1 687692427 571968419 /nfs/dbraw/zinc/96/84/19/571968419.db2.gz BYHFXIIUYDXZRM-FOGDFJRCSA-N 0 0 198.306 2.807 10 0 AFAERN CO[C@H](CC1CCCCC1)C(C)=O 687692801 571968459 /nfs/dbraw/zinc/96/84/59/571968459.db2.gz YGNFZIZRTPCTKW-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)Oc1c(C)cc(C)cc1C 32174137 571968481 /nfs/dbraw/zinc/96/84/81/571968481.db2.gz KCLWUNIWBXUMQO-UHFFFAOYSA-N 0 0 178.231 2.537 10 0 AFAERN CCc1ccccc1[C@@H](OC)C(C)=O 687693029 571968520 /nfs/dbraw/zinc/96/85/20/571968520.db2.gz HJKLFTGVIJVDGV-LBPRGKRZSA-N 0 0 192.258 2.526 10 0 AFAERN CCC(=O)[C@H](CC1CCCCC1)OC 687692706 571968529 /nfs/dbraw/zinc/96/85/29/571968529.db2.gz OGZQFPJSAFZOCC-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@@H]1CCC[C@H](C(C)(C)O)C1 32154731 571968535 /nfs/dbraw/zinc/96/85/35/571968535.db2.gz PCSHFBZGUQNFPA-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccnc(C(C)C)c1 32167310 571968602 /nfs/dbraw/zinc/96/86/02/571968602.db2.gz IQTHCDAGRCAFJT-UHFFFAOYSA-N 0 0 135.210 2.513 10 0 AFAERN CC1=C([C@H](C)O)C(C)(C)CC=C1 32169935 571968611 /nfs/dbraw/zinc/96/86/11/571968611.db2.gz BKHYAIKSJWYOPF-VIFPVBQESA-N 0 0 166.264 2.670 10 0 AFAERN CCC(=O)[C@]1(OC)CC[C@H](C)C[C@@H]1C 687692752 571968649 /nfs/dbraw/zinc/96/86/49/571968649.db2.gz RZMIJIXLMPJOGD-NHCYSSNCSA-N 0 0 198.306 2.807 10 0 AFAERN CCCO[C@]1(C(=O)CC)CCC1(C)C 687692337 571968667 /nfs/dbraw/zinc/96/86/67/571968667.db2.gz AHCXHMZBHLPSGS-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCCO[C@]1(C(C)=O)CCC[C@H]2C[C@H]21 687693245 571968681 /nfs/dbraw/zinc/96/86/81/571968681.db2.gz ZLRBUUSWTDZZOG-TUAOUCFPSA-N 0 0 196.290 2.561 10 0 AFAERN CCCO[C@]1(C(C)=O)CCC[C@@H]2C[C@@H]21 687693247 571968745 /nfs/dbraw/zinc/96/87/45/571968745.db2.gz ZLRBUUSWTDZZOG-WOPDTQHZSA-N 0 0 196.290 2.561 10 0 AFAERN CNc1cc(C)ccc1N1CCCC1 219321529 571968772 /nfs/dbraw/zinc/96/87/72/571968772.db2.gz XSOLUMRLTIVHSN-UHFFFAOYSA-N 0 0 190.290 2.637 10 0 AFAERN CCC(C)(C)SC 32163108 571968789 /nfs/dbraw/zinc/96/87/89/571968789.db2.gz SJOHDSPLOVBXOF-UHFFFAOYSA-N 0 0 118.245 2.538 10 0 AFAERN CC(C)[C@@H]1CC(=O)[C@H](C)[C@@H]1C 32164587 571968793 /nfs/dbraw/zinc/96/87/93/571968793.db2.gz GYOSSKZVOVKLGG-YIZRAAEISA-N 0 0 154.253 2.504 10 0 AFAERN CCCO[C@@]1(C(=O)CC)CCC1(C)C 687692336 571968809 /nfs/dbraw/zinc/96/88/09/571968809.db2.gz AHCXHMZBHLPSGS-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@@]12CCCO[C@H]1Nc1ccccc12 32168398 571968833 /nfs/dbraw/zinc/96/88/33/571968833.db2.gz KCOSCYSNLYDUEW-NEPJUHHUSA-N 0 0 189.258 2.506 10 0 AFAERN C[C@@H]1CCC[C@@H](C(C)(C)O)C1 32154721 571968845 /nfs/dbraw/zinc/96/88/45/571968845.db2.gz PCSHFBZGUQNFPA-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN CCO[C@]1(C(C)=O)CC[C@@H](C)[C@@H](C)C1 687692424 571968914 /nfs/dbraw/zinc/96/89/14/571968914.db2.gz BJQLFLBUPHDNFM-JFGNBEQYSA-N 0 0 198.306 2.807 10 0 AFAERN CCCOC(C(C)=O)(C1CC1)C1CC1 687693040 571969034 /nfs/dbraw/zinc/96/90/34/571969034.db2.gz IGQVKIGQXODKQJ-UHFFFAOYSA-N 0 0 196.290 2.561 10 0 AFAERN CC(=O)COc1cc(C)c(C)cc1C 219348770 571969045 /nfs/dbraw/zinc/96/90/45/571969045.db2.gz FOXACRREOUPNBH-UHFFFAOYSA-N 0 0 192.258 2.580 10 0 AFAERN CCO[C@H](CC1CCCCC1)C(C)=O 687692676 571969121 /nfs/dbraw/zinc/96/91/21/571969121.db2.gz LPVMTFHBZLVTFY-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCc1cc(C)ccc1OC 32172961 571969147 /nfs/dbraw/zinc/96/91/47/571969147.db2.gz NJTCSGOITDNDFY-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN CC1(C)SCCCS1 32154841 571969167 /nfs/dbraw/zinc/96/91/67/571969167.db2.gz YRFVUSVRBICMRJ-UHFFFAOYSA-N 0 0 148.296 2.593 10 0 AFAERN C[C@H]1CCC[C@H](C(C)(C)O)C1 32154735 571969231 /nfs/dbraw/zinc/96/92/31/571969231.db2.gz PCSHFBZGUQNFPA-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC(=O)[C@@](C)(OC)[C@@H](C)CC 687692370 571970113 /nfs/dbraw/zinc/97/01/13/571970113.db2.gz MTCPXHZAXCGZPD-ONGXEEELSA-N 0 0 186.295 2.807 10 0 AFAERN C=Cc1ccccc1C(=O)CC 32168031 571969291 /nfs/dbraw/zinc/96/92/91/571969291.db2.gz WHHWFVIPLLAZAH-UHFFFAOYSA-N 0 0 160.216 2.922 10 0 AFAERN CCc1cc(C)cs1 32166371 571970139 /nfs/dbraw/zinc/97/01/39/571970139.db2.gz NZOYEHPXDWJOCD-UHFFFAOYSA-N 0 0 126.224 2.619 10 0 AFAERN CC[C@H](C)c1ccc[nH]1 32165477 571969321 /nfs/dbraw/zinc/96/93/21/571969321.db2.gz GMFNJYOYYNBWNB-ZETCQYMHSA-N 0 0 123.199 2.528 10 0 AFAERN CCCC(=O)C(OC)(C1CC1)C1CC1 687692963 571969374 /nfs/dbraw/zinc/96/93/74/571969374.db2.gz DJJPGKMSDMQNLW-UHFFFAOYSA-N 0 0 196.290 2.561 10 0 AFAERN CCC(=O)[C@]1(OC)CCC[C@@H](C)[C@@H]1C 687692435 571969379 /nfs/dbraw/zinc/96/93/79/571969379.db2.gz FGXGPEHLNBSLKG-SCVCMEIPSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@]1(OC)CC[C@H](C)[C@H](C)C1 687692430 571969385 /nfs/dbraw/zinc/96/93/85/571969385.db2.gz BYHFXIIUYDXZRM-UMNHJUIQSA-N 0 0 198.306 2.807 10 0 AFAERN CCO[C@]1(C(C)=O)CC[C@H](C)[C@H](C)C1 687692422 571969437 /nfs/dbraw/zinc/96/94/37/571969437.db2.gz BJQLFLBUPHDNFM-HOSYDEDBSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@@]12CCCO[C@@H]1Nc1ccccc12 32168392 571969447 /nfs/dbraw/zinc/96/94/47/571969447.db2.gz KCOSCYSNLYDUEW-RYUDHWBXSA-N 0 0 189.258 2.506 10 0 AFAERN CCCCCC[C@@H](O)[C@H](C)OCC 80742583 571969455 /nfs/dbraw/zinc/96/94/55/571969455.db2.gz OZPSNFPXVIKTNE-WDEREUQCSA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)[C@@H]1CC(=O)[C@@H](C)[C@@H]1C 32164584 571969457 /nfs/dbraw/zinc/96/94/57/571969457.db2.gz GYOSSKZVOVKLGG-CIUDSAMLSA-N 0 0 154.253 2.504 10 0 AFAERN CO[C@]1(C(C)=O)CCCC12CCCC2 687692987 571969463 /nfs/dbraw/zinc/96/94/63/571969463.db2.gz WQUNLINHVGUIEE-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN CCc1ccccc1[C@H](OC)C(C)=O 687693028 571969644 /nfs/dbraw/zinc/96/96/44/571969644.db2.gz HJKLFTGVIJVDGV-GFCCVEGCSA-N 0 0 192.258 2.526 10 0 AFAERN CC(=O)n1c(C)cc2ccccc21 32162289 571969656 /nfs/dbraw/zinc/96/96/56/571969656.db2.gz MQKDFUDWMKTCNQ-UHFFFAOYSA-N 0 0 173.215 2.610 10 0 AFAERN CCC(=O)[C@]1(OC)CCC[C@H](C)[C@@H]1C 687692434 571969688 /nfs/dbraw/zinc/96/96/88/571969688.db2.gz FGXGPEHLNBSLKG-NHCYSSNCSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@](C)(OC)C1CCCCC1 687692811 571969696 /nfs/dbraw/zinc/96/96/96/571969696.db2.gz ZGYRRKNHPWDKHK-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H]1CC[C@@H](NOC(C)(C)C)C1 134486681 571969752 /nfs/dbraw/zinc/96/97/52/571969752.db2.gz JZEWPGCLPUGWNB-VHSXEESVSA-N 0 0 185.311 2.885 10 0 AFAERN CCO[C@]1(C(C)=O)CC[C@H](C)[C@@H](C)C1 687692423 571969786 /nfs/dbraw/zinc/96/97/86/571969786.db2.gz BJQLFLBUPHDNFM-JBLDHEPKSA-N 0 0 198.306 2.807 10 0 AFAERN CNc1ccccc1C(=O)C(C)(C)C 32171308 571969821 /nfs/dbraw/zinc/96/98/21/571969821.db2.gz ATMFAZAINVTBSK-UHFFFAOYSA-N 0 0 191.274 2.957 10 0 AFAERN CCc1oc(C(C)C)nc1C 32176538 571969875 /nfs/dbraw/zinc/96/98/75/571969875.db2.gz IEYWMNYHQSDLRX-UHFFFAOYSA-N 0 0 153.225 2.669 10 0 endogenous,in-man AFAERN C[C@H]1CCC[C@@H](C(C)(C)O)C1 32154726 571969881 /nfs/dbraw/zinc/96/98/81/571969881.db2.gz PCSHFBZGUQNFPA-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](C)SC(C)C 32163005 571969903 /nfs/dbraw/zinc/96/99/03/571969903.db2.gz QFJOWMMNNIEXPT-SSDOTTSWSA-N 0 0 132.272 2.927 10 0 AFAERN C[C@]12CCCO[C@H]1Nc1ccccc12 32168401 571969928 /nfs/dbraw/zinc/96/99/28/571969928.db2.gz KCOSCYSNLYDUEW-VXGBXAGGSA-N 0 0 189.258 2.506 10 0 AFAERN C=CC(=C)c1ccccc1O 32168266 571969947 /nfs/dbraw/zinc/96/99/47/571969947.db2.gz JHZUBRQPCNWPIC-UHFFFAOYSA-N 0 0 146.189 2.591 10 0 AFAERN CC1=C([C@@H](C)O)C(C)(C)CC=C1 32169934 571969953 /nfs/dbraw/zinc/96/99/53/571969953.db2.gz BKHYAIKSJWYOPF-SECBINFHSA-N 0 0 166.264 2.670 10 0 AFAERN CCC(=O)[C@@](C)(OC)C1CCCCC1 687692812 571969968 /nfs/dbraw/zinc/96/99/68/571969968.db2.gz ZGYRRKNHPWDKHK-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@@H](CC1CCCCC1)C(C)=O 687692802 571970100 /nfs/dbraw/zinc/97/01/00/571970100.db2.gz YGNFZIZRTPCTKW-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@@H](CC1CCCCC1)C(C)=O 687692677 571970013 /nfs/dbraw/zinc/97/00/13/571970013.db2.gz LPVMTFHBZLVTFY-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@]1(C(=O)CC)CCC[C@H]2C[C@H]21 687692922 571970102 /nfs/dbraw/zinc/97/01/02/571970102.db2.gz ANVWIJUJYMEBHV-HOSYDEDBSA-N 0 0 196.290 2.561 10 0 AFAERN CCc1cc(=S)[nH]c([C@H](C)CC)n1 233981988 571970029 /nfs/dbraw/zinc/97/00/29/571970029.db2.gz SLNWQTBKKCORBG-SSDOTTSWSA-N 0 0 196.319 2.841 10 0 AFAERN CC[C@H](C)SC(C)C 32163006 571970044 /nfs/dbraw/zinc/97/00/44/571970044.db2.gz QFJOWMMNNIEXPT-ZETCQYMHSA-N 0 0 132.272 2.927 10 0 AFAERN CC(C)(C)CC(C)(C)N1CCOC1=O 32156012 571970077 /nfs/dbraw/zinc/97/00/77/571970077.db2.gz DCEMOAJTQHHLAJ-UHFFFAOYSA-N 0 0 199.294 2.653 10 0 AFAERN CC(C)Cc1nc(C2CCCC2)n[nH]1 41058434 571970210 /nfs/dbraw/zinc/97/02/10/571970210.db2.gz DSCZPVJNVOPEKP-UHFFFAOYSA-N 0 0 193.294 2.661 10 0 AFAERN CC(C)Oc1ccc2cc[nH]c2c1 32162283 571970211 /nfs/dbraw/zinc/97/02/11/571970211.db2.gz VYUAYKJMJXXCLP-UHFFFAOYSA-N 0 0 175.231 2.955 10 0 AFAERN CCc1cc(C)cc(OC)c1 32162416 571970262 /nfs/dbraw/zinc/97/02/62/571970262.db2.gz SMOHZTWJKGTUIA-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN CC[C@@H](C)c1ccc[nH]1 32165475 571970265 /nfs/dbraw/zinc/97/02/65/571970265.db2.gz GMFNJYOYYNBWNB-SSDOTTSWSA-N 0 0 123.199 2.528 10 0 AFAERN CCC[C@@H](C)CNc1ccn(CC)n1 300828715 571970686 /nfs/dbraw/zinc/97/06/86/571970686.db2.gz BZHRTVZCFYJOJE-SNVBAGLBSA-N 0 0 195.310 2.751 10 0 AFAERN COc1oc2ccccc2c1C(C)=O 32220178 571970633 /nfs/dbraw/zinc/97/06/33/571970633.db2.gz MJSHPRKETUOAMJ-UHFFFAOYSA-N 0 0 190.198 2.644 10 0 AFAERN O=C1CCCC[C@@]12CC=CCC2 32203480 571970653 /nfs/dbraw/zinc/97/06/53/571970653.db2.gz RHEGYQBXXRFEHU-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN CCCCC[C@H](CC)OC 32219548 571970955 /nfs/dbraw/zinc/97/09/55/571970955.db2.gz FRFFONQXEGIMOW-VIFPVBQESA-N 0 0 144.258 2.992 10 0 AFAERN C[C@@H]1Cc2cc(Cl)ccc2O1 32207793 571971410 /nfs/dbraw/zinc/97/14/10/571971410.db2.gz SZRUVKXCHRHYSO-ZCFIWIBFSA-N 0 0 168.623 2.663 10 0 AFAERN CSc1cnc2ccccc2c1 32220280 571971544 /nfs/dbraw/zinc/97/15/44/571971544.db2.gz GYORPPNTMWUJCH-UHFFFAOYSA-N 0 0 175.256 2.957 10 0 AFAERN C[C@H]1Cc2cc(Cl)ccc2O1 32207794 571971684 /nfs/dbraw/zinc/97/16/84/571971684.db2.gz SZRUVKXCHRHYSO-LURJTMIESA-N 0 0 168.623 2.663 10 0 AFAERN CCc1c(C)nnc2ccccc12 32210934 571971732 /nfs/dbraw/zinc/97/17/32/571971732.db2.gz RZEWSEYBPSODHO-UHFFFAOYSA-N 0 0 172.231 2.501 10 0 AFAERN CC(=O)[C@@H](C=C(C)C)C(C)C 32217389 571971771 /nfs/dbraw/zinc/97/17/71/571971771.db2.gz XBCNBZYUESJHDP-JTQLQIEISA-N 0 0 154.253 2.814 10 0 AFAERN C[C@@H]1C[C@@H](O)c2cc(Cl)ccc21 32207188 571971800 /nfs/dbraw/zinc/97/18/00/571971800.db2.gz PQRLNUQNILHITK-LHLIQPBNSA-N 0 0 182.650 2.881 10 0 AFAERN O[C@@H]1C[C@H]2CC[C@@H]1[C@@H]2C1CCCCC1 32214396 571972018 /nfs/dbraw/zinc/97/20/18/571972018.db2.gz WTBCIFIGZISWHY-YVECIDJPSA-N 0 0 194.318 2.974 10 0 AFAERN CC(=O)[C@H](C=C(C)C)C(C)C 32217386 571971934 /nfs/dbraw/zinc/97/19/34/571971934.db2.gz XBCNBZYUESJHDP-SNVBAGLBSA-N 0 0 154.253 2.814 10 0 AFAERN CCCCC[C@@H](CC)OC 32219547 571971976 /nfs/dbraw/zinc/97/19/76/571971976.db2.gz FRFFONQXEGIMOW-SECBINFHSA-N 0 0 144.258 2.992 10 0 AFAERN c1ccc2c(c1)Cc1cnccc1-2 32206877 571972275 /nfs/dbraw/zinc/97/22/75/571972275.db2.gz JWAOIQJBPAHCST-UHFFFAOYSA-N 0 0 167.211 2.653 10 0 AFAERN CC(=O)c1cc(O)c(C)c(C)c1C 32203002 571972286 /nfs/dbraw/zinc/97/22/86/571972286.db2.gz MZAKYHOEXBCUPJ-UHFFFAOYSA-N 0 0 178.231 2.520 10 0 AFAERN O[C@H]1C[C@H]2CC[C@@H]1[C@@H]2C1CCCCC1 32214399 571972348 /nfs/dbraw/zinc/97/23/48/571972348.db2.gz WTBCIFIGZISWHY-MROQNXINSA-N 0 0 194.318 2.974 10 0 AFAERN C[C@H]1C[C@@H](O)c2cc(Cl)ccc21 32207191 571972391 /nfs/dbraw/zinc/97/23/91/571972391.db2.gz PQRLNUQNILHITK-QUBYGPBYSA-N 0 0 182.650 2.881 10 0 AFAERN O=C(O[C@@H]1C=CCC1)c1ccccc1 32213583 571972414 /nfs/dbraw/zinc/97/24/14/571972414.db2.gz BTLKCQKGDWHFJF-LLVKDONJSA-N 0 0 188.226 2.562 10 0 AFAERN O=C1CCCC[C@]12CC=CCC2 32203476 571972474 /nfs/dbraw/zinc/97/24/74/571972474.db2.gz RHEGYQBXXRFEHU-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CC(=O)OC12CCC(C)(CC1)CC2 32218431 571972544 /nfs/dbraw/zinc/97/25/44/571972544.db2.gz XYJNTAUKYSUAKI-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN C=C=C(C)[C@@H](O)CCCCC 214636480 571973026 /nfs/dbraw/zinc/97/30/26/571973026.db2.gz RZARQLXTMGNMIT-JTQLQIEISA-N 0 0 154.253 2.659 10 0 AFAERN Cc1nnsc1Nc1ccccc1 32224606 571973363 /nfs/dbraw/zinc/97/33/63/571973363.db2.gz RMNIUFWRXNVZHN-UHFFFAOYSA-N 0 0 191.259 2.590 10 0 AFAERN Cc1ccc(C(=O)c2ccccc2)[nH]1 32222686 571973434 /nfs/dbraw/zinc/97/34/34/571973434.db2.gz XZOCLVJWDPCBMP-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN C[C@H]1CCCC[C@]12CCC2=O 32225725 571973440 /nfs/dbraw/zinc/97/34/40/571973440.db2.gz CZWVWMYESMGDLX-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)=CC(=O)Oc1ccccc1 32227210 571973619 /nfs/dbraw/zinc/97/36/19/571973619.db2.gz FFACJJSUQMXDRE-UHFFFAOYSA-N 0 0 176.215 2.558 10 0 AFAERN CC(=O)N[C@H]1C[C@H](C(C)C)CC=C1C 32227885 571973626 /nfs/dbraw/zinc/97/36/26/571973626.db2.gz IYKRBUAHMLXGDT-NEPJUHHUSA-N 0 0 195.306 2.503 10 0 AFAERN C[C@@H]1CC2=CCCC[C@H]2[C@@H](O)C1 139733286 571973696 /nfs/dbraw/zinc/97/36/96/571973696.db2.gz YGGXUUFDUTZHDJ-IEBDPFPHSA-N 0 0 166.264 2.504 10 0 AFAERN c1cnc2c3c(ccc2c1)CCC3 196425554 571973741 /nfs/dbraw/zinc/97/37/41/571973741.db2.gz BPBNEQSOGSUPPS-UHFFFAOYSA-N 0 0 169.227 2.724 10 0 AFAERN c1cnc2ccc3ncsc3c2c1 32222897 571973742 /nfs/dbraw/zinc/97/37/42/571973742.db2.gz RIUVLOXDBAJYGF-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN CCc1cnc(C2CC2)c(Cl)n1 139806888 571973743 /nfs/dbraw/zinc/97/37/43/571973743.db2.gz XSXQQMCBFZBNGU-UHFFFAOYSA-N 0 0 182.654 2.570 10 0 AFAERN CCCC[C@H](O)C=C(C)C 32229583 571973757 /nfs/dbraw/zinc/97/37/57/571973757.db2.gz PNLIZTGZMGUPNP-VIFPVBQESA-N 0 0 142.242 2.504 10 0 AFAERN Cc1ccnc2[nH]c3c(c12)CCCC3 32222882 571973768 /nfs/dbraw/zinc/97/37/68/571973768.db2.gz QSSAYXAIOLWEES-UHFFFAOYSA-N 0 0 186.258 2.750 10 0 AFAERN C[C@@H]1C=CC[C@@H]2CCCC(=O)[C@H]21 139797069 571973769 /nfs/dbraw/zinc/97/37/69/571973769.db2.gz BTCZYJPSPRMTAM-KKZNHRDASA-N 0 0 164.248 2.568 10 0 AFAERN C[C@@]12CCCC[C@H]1CCC2=O 32225560 571973895 /nfs/dbraw/zinc/97/38/95/571973895.db2.gz WYKZJZRPDWKUBM-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN CC1(C)CC(=O)[C@H]2CC=CC[C@@H]2C1 139797331 571973924 /nfs/dbraw/zinc/97/39/24/571973924.db2.gz JTOJSNJDDDPAEU-ZJUUUORDSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H](CO)CC[C@H]1CC=CC1(C)C 139805214 571973932 /nfs/dbraw/zinc/97/39/32/571973932.db2.gz RRZOFBYSKRZZQP-GHMZBOCLSA-N 0 0 182.307 2.997 10 0 AFAERN CC(=O)N[C@H]1C[C@@H](C(C)C)CC=C1C 32227887 571973969 /nfs/dbraw/zinc/97/39/69/571973969.db2.gz IYKRBUAHMLXGDT-RYUDHWBXSA-N 0 0 195.306 2.503 10 0 AFAERN CC1(C)CCC(=O)[C@H]2CC=CC[C@@H]21 139797476 571973974 /nfs/dbraw/zinc/97/39/74/571973974.db2.gz UPGBJPVFMMVILS-UWVGGRQHSA-N 0 0 178.275 2.958 10 0 AFAERN Fc1ccc2c(c1)[nH]c1ncccc12 139802740 571973994 /nfs/dbraw/zinc/97/39/94/571973994.db2.gz FTPRIKZWVZNSQJ-UHFFFAOYSA-N 0 0 186.189 2.855 10 0 AFAERN CC(C)=CC[C@H](O)C=C(C)C 32229627 571974007 /nfs/dbraw/zinc/97/40/07/571974007.db2.gz UJWFFQNWDJNWLH-JTQLQIEISA-N 0 0 154.253 2.670 10 0 AFAERN OCC12CCCCC1CCCC2 32226229 571974025 /nfs/dbraw/zinc/97/40/25/571974025.db2.gz ZVYRRWLYOCFIMM-UHFFFAOYSA-N 0 0 168.280 2.729 10 0 AFAERN O=C1CCCC[C@H]2CC=CC[C@H]12 139796388 571974029 /nfs/dbraw/zinc/97/40/29/571974029.db2.gz RCNVHRKQMLKECR-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)N[C@@H]1C[C@@H](C(C)C)CC=C1C 32227890 571974105 /nfs/dbraw/zinc/97/41/05/571974105.db2.gz IYKRBUAHMLXGDT-NWDGAFQWSA-N 0 0 195.306 2.503 10 0 AFAERN C[C@H]1CCCC[C@@]12CCC2=O 32225723 571974149 /nfs/dbraw/zinc/97/41/49/571974149.db2.gz CZWVWMYESMGDLX-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@]12CCCC=C1C[C@@H](O)CC2 32225248 571974299 /nfs/dbraw/zinc/97/42/99/571974299.db2.gz JQCCPUMIRXBPCY-WDEREUQCSA-N 0 0 166.264 2.648 10 0 AFAERN O=C1CCCCC[C@H]2CCC[C@H]12 32228986 571974367 /nfs/dbraw/zinc/97/43/67/571974367.db2.gz MXOFZTWJSWAANZ-UWVGGRQHSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)=CC[C@@H](O)C=C(C)C 32229625 571974370 /nfs/dbraw/zinc/97/43/70/571974370.db2.gz UJWFFQNWDJNWLH-SNVBAGLBSA-N 0 0 154.253 2.670 10 0 AFAERN COCCC1CCCCC1 32226792 571974383 /nfs/dbraw/zinc/97/43/83/571974383.db2.gz SCKZEHIXKJLFOB-UHFFFAOYSA-N 0 0 142.242 2.603 10 0 AFAERN C[C@@]12CCCC=C1C[C@H](O)CC2 32225249 571974396 /nfs/dbraw/zinc/97/43/96/571974396.db2.gz JQCCPUMIRXBPCY-MNOVXSKESA-N 0 0 166.264 2.648 10 0 AFAERN c1cnc2ccc3scnc3c2c1 32222896 571974444 /nfs/dbraw/zinc/97/44/44/571974444.db2.gz LINNRIABMSURHW-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN CC(C)c1c(-c2ccccc2)c1=O 196425779 571974494 /nfs/dbraw/zinc/97/44/94/571974494.db2.gz SYILSFZGLKKVDY-UHFFFAOYSA-N 0 0 172.227 2.713 10 0 AFAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1CO 32227036 571974533 /nfs/dbraw/zinc/97/45/33/571974533.db2.gz AEFLYRHUYOYCLW-HBNTYKKESA-N 0 0 170.296 2.687 10 0 AFAERN C[C@@H]1C=CC[C@@H]2CCCCC(=O)[C@H]21 139796666 571974577 /nfs/dbraw/zinc/97/45/77/571974577.db2.gz UVZZREJISXPDGL-SCVCMEIPSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1cccc2c(CO)csc12 32220922 571974646 /nfs/dbraw/zinc/97/46/46/571974646.db2.gz YZQAKNZPTADCOC-UHFFFAOYSA-N 0 0 178.256 2.702 10 0 AFAERN c1ccc2nc3c(cc2c1)CCS3 32223099 571974667 /nfs/dbraw/zinc/97/46/67/571974667.db2.gz MYPOATFIWOHCTI-UHFFFAOYSA-N 0 0 187.267 2.883 10 0 AFAERN Cc1cc(Cc2ccccc2)c[nH]1 139726361 571974766 /nfs/dbraw/zinc/97/47/66/571974766.db2.gz AQRINXPMWIWYGD-UHFFFAOYSA-N 0 0 171.243 2.914 10 0 AFAERN CCOC(=O)c1scc(C)c1C 139798237 571974873 /nfs/dbraw/zinc/97/48/73/571974873.db2.gz FNNQFFTUIROINJ-UHFFFAOYSA-N 0 0 184.260 2.542 10 0 AFAERN CC/C(=C/[C@@H](C)O)c1ccccc1 139706711 571975607 /nfs/dbraw/zinc/97/56/07/571975607.db2.gz LVIRWCVKHSUQFO-QLWWJYNRSA-N 0 0 176.259 2.861 10 0 AFAERN O=C1CCCC[C@H]2CCCC[C@H]12 139796787 571975007 /nfs/dbraw/zinc/97/50/07/571975007.db2.gz VXKGUFHXCQYSLH-ZJUUUORDSA-N 0 0 166.264 2.936 10 0 AFAERN COc1cc(C)cc(C)c1Cl 196420873 571975063 /nfs/dbraw/zinc/97/50/63/571975063.db2.gz TWHIRKSORZTROP-UHFFFAOYSA-N 0 0 170.639 2.965 10 0 AFAERN Clc1nc2cccc-2c(Cl)[n-]1 139751648 571975120 /nfs/dbraw/zinc/97/51/20/571975120.db2.gz XCZZAOXPVSPOND-UHFFFAOYSA-N 0 0 187.029 2.821 10 0 AFAERN C[C@H]1C=CC[C@@H]2CCCC(=O)[C@]12C 139798560 571975182 /nfs/dbraw/zinc/97/51/82/571975182.db2.gz ZTBXVZYFSOIBKB-HOSYDEDBSA-N 0 0 178.275 2.958 10 0 AFAERN C=C/C=C\CC[C@@H](O)c1ccco1 212364289 571975290 /nfs/dbraw/zinc/97/52/90/571975290.db2.gz CRDZEAXMRSDDMK-UMBAGQNISA-N 0 0 178.231 2.835 10 0 AFAERN COC(=O)CCC=C1CCCCC1 113952595 571975318 /nfs/dbraw/zinc/97/53/18/571975318.db2.gz GFLVKSZVELCUJG-UHFFFAOYSA-N 0 0 182.263 2.830 10 0 AFAERN CCc1cc2cc(Cl)ncc2[nH]1 139775128 571975322 /nfs/dbraw/zinc/97/53/22/571975322.db2.gz CELURNGIPOKCRH-UHFFFAOYSA-N 0 0 180.638 2.779 10 0 AFAERN Cc1cc(N)cc2cc(Cl)cnc12 139806724 571975386 /nfs/dbraw/zinc/97/53/86/571975386.db2.gz DPNZWGIFCOBTPB-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN c1c2c(cc3c1CCCN3)CCC2 196425569 571975411 /nfs/dbraw/zinc/97/54/11/571975411.db2.gz CJKQZPLQDJIUGD-UHFFFAOYSA-N 0 0 173.259 2.533 10 0 AFAERN C[C@H]1CC(=O)[C@H]2CC=CC[C@@H]2C1 139797170 571975531 /nfs/dbraw/zinc/97/55/31/571975531.db2.gz OOPLQVRBYMJKDA-BBBLOLIVSA-N 0 0 164.248 2.568 10 0 AFAERN CC1=CCCC(=O)C12CCCC2 32302687 571975629 /nfs/dbraw/zinc/97/56/29/571975629.db2.gz HIBBBMZEOZTLSY-UHFFFAOYSA-N 0 0 164.248 2.856 10 0 AFAERN CC(=O)[C@@H]1CCC[C@H]1c1ccco1 139765775 571975724 /nfs/dbraw/zinc/97/57/24/571975724.db2.gz ITEXLRFAHJPHTL-VHSXEESVSA-N 0 0 178.231 2.752 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1sc(C)nc1C 233989756 571975768 /nfs/dbraw/zinc/97/57/68/571975768.db2.gz KMJQBHIODPNMQN-HZGVNTEJSA-N 0 0 199.319 2.839 10 0 AFAERN CC(=O)[C@@H]1CCC[C@@H]1c1ccco1 139765640 571975820 /nfs/dbraw/zinc/97/58/20/571975820.db2.gz ITEXLRFAHJPHTL-UWVGGRQHSA-N 0 0 178.231 2.752 10 0 AFAERN COc1cc(O)c2ccccc2c1C 196424685 571975878 /nfs/dbraw/zinc/97/58/78/571975878.db2.gz MFMGSVNPXIQXSY-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CCOc1nccc2ccccc12 32299966 571975895 /nfs/dbraw/zinc/97/58/95/571975895.db2.gz INMIORMLNSPICM-UHFFFAOYSA-N 0 0 173.215 2.634 10 0 AFAERN CCCCc1ccc(C)[nH]1 32303016 571975959 /nfs/dbraw/zinc/97/59/59/571975959.db2.gz FDNCQTBPVHLXRV-UHFFFAOYSA-N 0 0 137.226 2.666 10 0 AFAERN CC1=CC[C@@]2(CCCC2=O)CC1 32302679 571976649 /nfs/dbraw/zinc/97/66/49/571976649.db2.gz IXIBURNIESWKBH-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN CC/C(=C/[C@H](C)O)c1ccccc1 139706858 571976356 /nfs/dbraw/zinc/97/63/56/571976356.db2.gz LVIRWCVKHSUQFO-RGAIUGGKSA-N 0 0 176.259 2.861 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ncccc1Cl 233989686 571976497 /nfs/dbraw/zinc/97/64/97/571976497.db2.gz QLPKCVKWKYBLNQ-GMSGAONNSA-N 0 0 199.681 2.815 10 0 AFAERN CCC(CC)(CC)C(C)=O 139776068 571976619 /nfs/dbraw/zinc/97/66/19/571976619.db2.gz SNBWUWQHPDWGKN-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN Cc1csc2ccccc2c1=O 32299626 571976688 /nfs/dbraw/zinc/97/66/88/571976688.db2.gz KZUPEYJKSRBLHY-UHFFFAOYSA-N 0 0 176.240 2.570 10 0 AFAERN C1=C[C@H]2C[C@@H]1c1cscc12 32298297 571976707 /nfs/dbraw/zinc/97/67/07/571976707.db2.gz YCOCQRZXKFXTJC-KNVOCYPGSA-N 0 0 148.230 2.889 10 0 AFAERN C=Cc1ccc2cccc(O)c2n1 13214484 571977018 /nfs/dbraw/zinc/97/70/18/571977018.db2.gz ISADTBCMEJCTPZ-UHFFFAOYSA-N 0 0 171.199 2.583 10 0 AFAERN Cc1ccc(OC(F)F)c(C)c1 41168502 571977130 /nfs/dbraw/zinc/97/71/30/571977130.db2.gz UIGNSICHXTXJJS-UHFFFAOYSA-N 0 0 172.174 2.905 10 0 AFAERN C[C@H]1C[C@@H](C)C(=O)C(C)(C)C1 32302671 571977133 /nfs/dbraw/zinc/97/71/33/571977133.db2.gz OHQYKAGPVCTGGR-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cc(Br)c(C)o1 32297387 571977307 /nfs/dbraw/zinc/97/73/07/571977307.db2.gz IRVMQYYRGICZTR-UHFFFAOYSA-N 0 0 175.025 2.659 10 0 AFAERN CC[C@@H](CCO)c1cccs1 41168333 571977335 /nfs/dbraw/zinc/97/73/35/571977335.db2.gz MVIICRTTYCQKHQ-QMMMGPOBSA-N 0 0 170.277 2.624 10 0 AFAERN Cc1ccc2c(Cl)cc(C)nc2n1 38363513 571977620 /nfs/dbraw/zinc/97/76/20/571977620.db2.gz LFUQUCOYQGAFFE-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN Cc1ccnc2cc(N(C)C)ccc12 13213244 571977693 /nfs/dbraw/zinc/97/76/93/571977693.db2.gz UHXOQWLMBQKZGS-UHFFFAOYSA-N 0 0 186.258 2.609 10 0 AFAERN COc1ccc(CC(C)C)c(C=O)c1 234848191 571977755 /nfs/dbraw/zinc/97/77/55/571977755.db2.gz APMHLAZCTJTWIQ-UHFFFAOYSA-N 0 0 192.258 2.706 10 0 AFAERN CC(C)[C@@H](C)Cn1cccc1C=O 81108784 571977787 /nfs/dbraw/zinc/97/77/87/571977787.db2.gz BOWILVVGIDKMRO-JTQLQIEISA-N 0 0 179.263 2.593 10 0 AFAERN Cc1cccc(C2(C)CC2)c1O 139895899 571977803 /nfs/dbraw/zinc/97/78/03/571977803.db2.gz RDILYZLJWUDTGC-UHFFFAOYSA-N 0 0 162.232 2.752 10 0 AFAERN c1ccc2c(c1)Cc1ccncc1-2 13234822 571977807 /nfs/dbraw/zinc/97/78/07/571977807.db2.gz QXVYBAAJUSTEBJ-UHFFFAOYSA-N 0 0 167.211 2.653 10 0 AFAERN CC(C)C[C@H](C)CC(=O)c1ncc[nH]1 300834836 571978454 /nfs/dbraw/zinc/97/84/54/571978454.db2.gz CMKOLHDXPKRBBX-VIFPVBQESA-N 0 0 194.278 2.665 10 0 AFAERN Cc1ccc(-c2ccco2)[nH]1 41167070 571978489 /nfs/dbraw/zinc/97/84/89/571978489.db2.gz VNSARPSGCSOWAN-UHFFFAOYSA-N 0 0 147.177 2.583 10 0 AFAERN CCc1ccccc1OC(F)F 41168495 571978589 /nfs/dbraw/zinc/97/85/89/571978589.db2.gz QDHDTODFDSVHFQ-UHFFFAOYSA-N 0 0 172.174 2.850 10 0 AFAERN CC[C@H](C)[C@@H](C)Nc1cc(N)ns1 233995051 571978687 /nfs/dbraw/zinc/97/86/87/571978687.db2.gz MCKGHOUSYQTHRW-NKWVEPMBSA-N 0 0 199.323 2.572 10 0 AFAERN CCOCC(=O)CCCC(C)(C)C 300832479 571978811 /nfs/dbraw/zinc/97/88/11/571978811.db2.gz ILKBQIPQGCPZCA-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC[C@H](O)C(=O)CCCC(C)(C)C 300834922 571978854 /nfs/dbraw/zinc/97/88/54/571978854.db2.gz IYEPZLHDBZBGSC-VIFPVBQESA-N 0 0 186.295 2.543 10 0 AFAERN CCC(CC)CO[C@H](C)CC(C)=O 300832117 571978947 /nfs/dbraw/zinc/97/89/47/571978947.db2.gz HVERLBFIBAEDKY-SNVBAGLBSA-N 0 0 186.295 2.807 10 0 AFAERN Cc1ccc(-c2c[nH]cn2)cc1C 41168545 571979085 /nfs/dbraw/zinc/97/90/85/571979085.db2.gz PIFYLAPQHVLYJQ-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CC(C)[C@H](C)Cn1cccc1C=O 81108787 571979124 /nfs/dbraw/zinc/97/91/24/571979124.db2.gz BOWILVVGIDKMRO-SNVBAGLBSA-N 0 0 179.263 2.593 10 0 AFAERN C/C(=C/[C@H](C)CC(C)C)[C@H](C)O 300834751 571979339 /nfs/dbraw/zinc/97/93/39/571979339.db2.gz CLMOWHZZOBRQDV-UEQOSDTHSA-N 0 0 170.296 2.996 10 0 AFAERN CCOCC(=O)C[C@H](C)CC(C)C 300837155 571979261 /nfs/dbraw/zinc/97/92/61/571979261.db2.gz CRYKCXDSAUMJTO-SNVBAGLBSA-N 0 0 186.295 2.664 10 0 AFAERN Cc1ccc(C)c(-c2c[nH]cn2)c1 41168547 571979274 /nfs/dbraw/zinc/97/92/74/571979274.db2.gz DAMSOVJHMKOISV-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN COCC[C@@H](O)CCCC(C)(C)C 300833968 571979497 /nfs/dbraw/zinc/97/94/97/571979497.db2.gz IRAFTGPVHKODAT-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)C[C@@H](C)CC(=O)c1ncc[nH]1 300834834 571979689 /nfs/dbraw/zinc/97/96/89/571979689.db2.gz CMKOLHDXPKRBBX-SECBINFHSA-N 0 0 194.278 2.665 10 0 AFAERN CCC(CC)CO[C@H]1CCCC(=O)C1 300831092 571979725 /nfs/dbraw/zinc/97/97/25/571979725.db2.gz HPSNMKPOWCUETG-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCONCC1CCCCCCC1 300831071 571979801 /nfs/dbraw/zinc/97/98/01/571979801.db2.gz HONUTKSXDDCDDH-UHFFFAOYSA-N 0 0 185.311 2.888 10 0 AFAERN CSC[C@@H](C)C(=O)c1coc(C)c1 300837314 571980043 /nfs/dbraw/zinc/98/00/43/571980043.db2.gz IELXIYCZSBDHQV-SSDOTTSWSA-N 0 0 198.287 2.770 10 0 AFAERN Cc1cc(-c2cn(C)cn2)ccc1F 41204963 571980080 /nfs/dbraw/zinc/98/00/80/571980080.db2.gz VBJSDEJSQMERTE-UHFFFAOYSA-N 0 0 190.221 2.535 10 0 AFAERN CC[C@@H](CO)c1ccc(F)c(C)c1 41202090 571980089 /nfs/dbraw/zinc/98/00/89/571980089.db2.gz DRVPOYBOOCCHJH-VIFPVBQESA-N 0 0 182.238 2.620 10 0 AFAERN Cc1cccc([C@H](C)CCO)c1C 41200601 571980223 /nfs/dbraw/zinc/98/02/23/571980223.db2.gz YMYLAEJTKIEFRC-SNVBAGLBSA-N 0 0 178.275 2.789 10 0 AFAERN Cc1cc(-c2c[nH]cn2)ccc1F 41199470 571980368 /nfs/dbraw/zinc/98/03/68/571980368.db2.gz PIQXDJOKPRJKBN-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN CCC1(CS[C@H](C)CO)CCC1 393338599 571980403 /nfs/dbraw/zinc/98/04/03/571980403.db2.gz QAPWUOCLQSMMEZ-SECBINFHSA-N 0 0 188.336 2.681 10 0 AFAERN C[C@H]1C[C@H](CCO)c2ccccc21 41199629 571980470 /nfs/dbraw/zinc/98/04/70/571980470.db2.gz ZKZXJXNBIYSYLG-UWVGGRQHSA-N 0 0 176.259 2.660 10 0 AFAERN CN[C@H](CCCC(C)C)C(F)F 234480140 571980478 /nfs/dbraw/zinc/98/04/78/571980478.db2.gz DVJGKTRXOSPZBD-MRVPVSSYSA-N 0 0 179.254 2.666 10 0 AFAERN Cc1cccc2c1NC(=O)[C@H]2C(C)C 41204762 571980545 /nfs/dbraw/zinc/98/05/45/571980545.db2.gz AZSBXMJDGYWBGC-JTQLQIEISA-N 0 0 189.258 2.687 10 0 AFAERN Cc1cccc(C(=O)C(C)C)c1O 41200366 571980651 /nfs/dbraw/zinc/98/06/51/571980651.db2.gz NHFQQIGFLXMBRH-UHFFFAOYSA-N 0 0 178.231 2.539 10 0 AFAERN C/C(=C/c1c(F)cccc1F)[N+](=O)[O-] 209267571 571980655 /nfs/dbraw/zinc/98/06/55/571980655.db2.gz PAQCZMIUXGKASO-WAYWQWQTSA-N 0 0 199.156 2.602 10 0 AFAERN Cc1cccc([C@H](O)C(C)C)c1C 41200586 571981020 /nfs/dbraw/zinc/98/10/20/571981020.db2.gz DDSMWSKKCBZCQI-GFCCVEGCSA-N 0 0 178.275 2.993 10 0 AFAERN CC[C@@H](C)CC1(C(C)=O)CC1 233997528 571980735 /nfs/dbraw/zinc/98/07/35/571980735.db2.gz FYLSUNRKBOTIEE-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CCOc1c(C)cccc1C(C)=O 41200363 571980776 /nfs/dbraw/zinc/98/07/76/571980776.db2.gz UOUOUQAZGNPBHL-UHFFFAOYSA-N 0 0 178.231 2.596 10 0 AFAERN CC[C@H](CO)c1cc(C)ccc1C 41200532 571980779 /nfs/dbraw/zinc/98/07/79/571980779.db2.gz BCKNZUXOCCCYCV-LLVKDONJSA-N 0 0 178.275 2.789 10 0 AFAERN CSCCCNc1ccccc1 20085403 571980825 /nfs/dbraw/zinc/98/08/25/571980825.db2.gz NWGTXNYNUSBKME-UHFFFAOYSA-N 0 0 181.304 2.852 10 0 AFAERN Cc1ccc([C@H](CO)C(C)C)cc1 41200491 571980896 /nfs/dbraw/zinc/98/08/96/571980896.db2.gz OSGSAOMHOXBNNX-GFCCVEGCSA-N 0 0 178.275 2.727 10 0 AFAERN CC[C@H](C)[C@@H](C)Nc1cc(C)cnn1 233994339 571980905 /nfs/dbraw/zinc/98/09/05/571980905.db2.gz QJEBAYZAOZWZGG-VHSXEESVSA-N 0 0 193.294 2.632 10 0 AFAERN COc1cc(C)c(Cl)c(OC)c1 13386353 571980951 /nfs/dbraw/zinc/98/09/51/571980951.db2.gz IVVNVLHNBKSQEU-UHFFFAOYSA-N 0 0 186.638 2.666 10 0 AFAERN CCCC[C@@H]1OC(=O)[C@H]2C=CCC[C@@H]12 13404319 571981002 /nfs/dbraw/zinc/98/10/02/571981002.db2.gz UXDIXFDKSPCUIX-VWYCJHECSA-N 0 0 194.274 2.684 10 0 AFAERN CC(C)[C@@H](CO)c1ccc(F)cc1 41202078 571981301 /nfs/dbraw/zinc/98/13/01/571981301.db2.gz BMSKWVGAENPHDP-LLVKDONJSA-N 0 0 182.238 2.558 10 0 AFAERN CCCCNC(=O)SCCC 81133600 571981317 /nfs/dbraw/zinc/98/13/17/571981317.db2.gz IOISYHVZMRGNKP-UHFFFAOYSA-N 0 0 175.297 2.639 10 0 AFAERN C[C@H](CCO)c1cccc(Cl)c1 41202939 571981355 /nfs/dbraw/zinc/98/13/55/571981355.db2.gz ZRVPJKJDQPOMOE-MRVPVSSYSA-N 0 0 184.666 2.826 10 0 AFAERN OCC[C@H]1CCc2c(Cl)cccc21 41207447 571982541 /nfs/dbraw/zinc/98/25/41/571982541.db2.gz KZOGVPQYHXEUAC-MRVPVSSYSA-N 0 0 196.677 2.752 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)Cc1ccoc1 300837906 571981462 /nfs/dbraw/zinc/98/14/62/571981462.db2.gz CVLGTBKWIAAAAA-ZYHUDNBSSA-N 0 0 196.290 2.865 10 0 AFAERN CC[C@H](C)Sc1ccc(N)c(N)c1 233999383 571981475 /nfs/dbraw/zinc/98/14/75/571981475.db2.gz WBPUJALQESYDLN-ZETCQYMHSA-N 0 0 196.319 2.742 10 0 AFAERN O=C(Nc1ccccc1)[C@H]1C=CCC1 13429769 571981481 /nfs/dbraw/zinc/98/14/81/571981481.db2.gz HFLMWLKMBBHUBB-JTQLQIEISA-N 0 0 187.242 2.591 10 0 AFAERN Cc1cc([C@@H](C)CCO)ccc1F 41202098 571981422 /nfs/dbraw/zinc/98/14/22/571981422.db2.gz FGDZXCCFYNEFRQ-QMMMGPOBSA-N 0 0 182.238 2.620 10 0 AFAERN CC[C@H](C)[C@@H](O)c1sc(C)nc1C 233995666 571981563 /nfs/dbraw/zinc/98/15/63/571981563.db2.gz KMJQBHIODPNMQN-IMTBSYHQSA-N 0 0 199.319 2.839 10 0 AFAERN Cc1cccc([C@@H](O)C(C)C)c1C 41200589 571981624 /nfs/dbraw/zinc/98/16/24/571981624.db2.gz DDSMWSKKCBZCQI-LBPRGKRZSA-N 0 0 178.275 2.993 10 0 AFAERN CCCn1cnnc1CCC(C)(C)C 300841602 571982497 /nfs/dbraw/zinc/98/24/97/571982497.db2.gz JVBWYDQOGOPJIK-UHFFFAOYSA-N 0 0 195.310 2.667 10 0 AFAERN C[C@@H]1C[C@@H](CCO)c2ccccc21 41199632 571981672 /nfs/dbraw/zinc/98/16/72/571981672.db2.gz ZKZXJXNBIYSYLG-NXEZZACHSA-N 0 0 176.259 2.660 10 0 AFAERN Cc1cc(C)c(OC(C)C)c(N)c1 41201053 571981675 /nfs/dbraw/zinc/98/16/75/571981675.db2.gz OVOJCXHLVZTDFR-UHFFFAOYSA-N 0 0 179.263 2.673 10 0 AFAERN Cc1ccc(C)c([C@H](C)CCO)c1 41200538 571981714 /nfs/dbraw/zinc/98/17/14/571981714.db2.gz PPLPSFNIBWCFLG-LLVKDONJSA-N 0 0 178.275 2.789 10 0 AFAERN O=C(Nc1ccccc1)[C@@H]1C=CCC1 13429771 571981727 /nfs/dbraw/zinc/98/17/27/571981727.db2.gz HFLMWLKMBBHUBB-SNVBAGLBSA-N 0 0 187.242 2.591 10 0 AFAERN CC(C)(C)CCC[C@@H](O)c1ncc[nH]1 300842738 571981742 /nfs/dbraw/zinc/98/17/42/571981742.db2.gz KAGCHEQEZCOOKN-SECBINFHSA-N 0 0 196.294 2.660 10 0 AFAERN Cc1cc2c(cc1O)[C@@H](C)CCC2=O 13460866 571981754 /nfs/dbraw/zinc/98/17/54/571981754.db2.gz BYOIVWRPJQKGMQ-ZETCQYMHSA-N 0 0 190.242 2.781 10 0 AFAERN CCNC(=S)c1ccc(Cl)cc1 206756504 571981765 /nfs/dbraw/zinc/98/17/65/571981765.db2.gz CZUHGLIBZVWVBG-UHFFFAOYSA-N 0 0 199.706 2.625 10 0 AFAERN Cc1oc2ccccc2c1C(C)(C)O 34528328 571981796 /nfs/dbraw/zinc/98/17/96/571981796.db2.gz VKLFCWPAIBDRKM-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN Cc1ccc(C)c([C@@H](C)CCO)c1 41200535 571981797 /nfs/dbraw/zinc/98/17/97/571981797.db2.gz PPLPSFNIBWCFLG-NSHDSACASA-N 0 0 178.275 2.789 10 0 AFAERN Cc1ccc2c(c1)C[C@H](C(C)C)N2 41199335 571981800 /nfs/dbraw/zinc/98/18/00/571981800.db2.gz MNQITVVZKLQCIW-GFCCVEGCSA-N 0 0 175.275 2.988 10 0 AFAERN CC[C@H](C)Nc1cccc(C=O)c1 233997157 571981879 /nfs/dbraw/zinc/98/18/79/571981879.db2.gz LMFSJMDWGUSMIU-VIFPVBQESA-N 0 0 177.247 2.710 10 0 AFAERN CC(C)(C)CCC[C@H](O)c1ncc[nH]1 300842740 571981970 /nfs/dbraw/zinc/98/19/70/571981970.db2.gz KAGCHEQEZCOOKN-VIFPVBQESA-N 0 0 196.294 2.660 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)Cc1ccoc1 300837904 571981976 /nfs/dbraw/zinc/98/19/76/571981976.db2.gz CVLGTBKWIAAAAA-JQWIXIFHSA-N 0 0 196.290 2.865 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)Cc1ccoc1 300837905 571982058 /nfs/dbraw/zinc/98/20/58/571982058.db2.gz CVLGTBKWIAAAAA-PWSUYJOCSA-N 0 0 196.290 2.865 10 0 AFAERN CC[C@H](C)[C@H](O)c1ncccc1Cl 233996168 571982142 /nfs/dbraw/zinc/98/21/42/571982142.db2.gz QLPKCVKWKYBLNQ-XVKPBYJWSA-N 0 0 199.681 2.815 10 0 AFAERN Cc1ccc(C[C@@H](C)[C@@H](C)O)c(C)c1 41206018 571982166 /nfs/dbraw/zinc/98/21/66/571982166.db2.gz PXJIQFNNTRNCMA-ZYHUDNBSSA-N 0 0 192.302 2.863 10 0 AFAERN Cc1ccc2c(c1)[C@H](CCO)CCC2 41205100 571982548 /nfs/dbraw/zinc/98/25/48/571982548.db2.gz RDOUFTSLSRERNK-LBPRGKRZSA-N 0 0 190.286 2.797 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ncccc1Cl 233995596 571982229 /nfs/dbraw/zinc/98/22/29/571982229.db2.gz QLPKCVKWKYBLNQ-OIBJUYFYSA-N 0 0 199.681 2.815 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)Cc1ccoc1 300837903 571981979 /nfs/dbraw/zinc/98/19/79/571981979.db2.gz CVLGTBKWIAAAAA-CMPLNLGQSA-N 0 0 196.290 2.865 10 0 AFAERN CC(C)(C)CCCn1ccnc1C=O 300840782 571982344 /nfs/dbraw/zinc/98/23/44/571982344.db2.gz JREYCYUGFGBEHE-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN Cc1ccc2c(c1)[C@@H](CCO)CCC2 41205101 571982398 /nfs/dbraw/zinc/98/23/98/571982398.db2.gz RDOUFTSLSRERNK-GFCCVEGCSA-N 0 0 190.286 2.797 10 0 AFAERN Cc1ccc([C@H](CO)C2CC2)c(C)c1 41205077 571982441 /nfs/dbraw/zinc/98/24/41/571982441.db2.gz UDULYCDLFUJARX-CYBMUJFWSA-N 0 0 190.286 2.789 10 0 AFAERN CC(C)(CCO)Sc1ccccc1 113481791 571982479 /nfs/dbraw/zinc/98/24/79/571982479.db2.gz AXOOLCGRQKUPRJ-UHFFFAOYSA-N 0 0 196.315 2.940 10 0 AFAERN Cc1cc(O)c2c(c1)C(=O)CC[C@@H]2C 13460862 571982673 /nfs/dbraw/zinc/98/26/73/571982673.db2.gz QYCRDWFMLDUZAG-QMMMGPOBSA-N 0 0 190.242 2.781 10 0 AFAERN Cc1cc(N)c(OCC(C)C)cc1C 41206517 571982704 /nfs/dbraw/zinc/98/27/04/571982704.db2.gz YXSMCKZBOSTXPP-UHFFFAOYSA-N 0 0 193.290 2.920 10 0 AFAERN Cc1cc(=S)sc(=S)[nH]1 196433011 571982769 /nfs/dbraw/zinc/98/27/69/571982769.db2.gz GKNSHUWZFMCZBH-UHFFFAOYSA-N 0 0 175.303 2.844 10 0 AFAERN CCCC[C@@H]1OC(=O)[C@H]2C=CCC[C@H]12 13404327 571982820 /nfs/dbraw/zinc/98/28/20/571982820.db2.gz UXDIXFDKSPCUIX-DCAQKATOSA-N 0 0 194.274 2.684 10 0 AFAERN C[C@H]1C[C@H](CCO)c2cc(F)ccc21 41206677 571982823 /nfs/dbraw/zinc/98/28/23/571982823.db2.gz JWRRPZYVYJBGQS-IUCAKERBSA-N 0 0 194.249 2.799 10 0 AFAERN Cc1ccc(C[C@H](C)[C@@H](C)O)c(C)c1 41206019 571982839 /nfs/dbraw/zinc/98/28/39/571982839.db2.gz PXJIQFNNTRNCMA-CMPLNLGQSA-N 0 0 192.302 2.863 10 0 AFAERN C[C@H]1C[C@@H](CCO)c2cc(F)ccc21 41206679 571982861 /nfs/dbraw/zinc/98/28/61/571982861.db2.gz JWRRPZYVYJBGQS-DTWKUNHWSA-N 0 0 194.249 2.799 10 0 AFAERN Cc1ccc(C)c([C@H](CO)C2CC2)c1 41205073 571982870 /nfs/dbraw/zinc/98/28/70/571982870.db2.gz BALBAWPDDFNPBH-CYBMUJFWSA-N 0 0 190.286 2.789 10 0 AFAERN Cc1ccc2c(c1)[C@@H](CCO)C[C@H]2C 41205105 571982881 /nfs/dbraw/zinc/98/28/81/571982881.db2.gz SONOQLWZHYUMHZ-MNOVXSKESA-N 0 0 190.286 2.968 10 0 AFAERN CCc1ccc2c(c1)[C@@H](CCO)CC2 41205099 571982907 /nfs/dbraw/zinc/98/29/07/571982907.db2.gz WHTVNOVZSSYTPG-GFCCVEGCSA-N 0 0 190.286 2.661 10 0 AFAERN CC[C@@H](CO)c1ccc(Cl)s1 41205130 571982916 /nfs/dbraw/zinc/98/29/16/571982916.db2.gz ZTWWWHPOUCNOJI-LURJTMIESA-N 0 0 190.695 2.887 10 0 AFAERN C[C@H](CCO)c1ccc(Cl)s1 41205133 571982933 /nfs/dbraw/zinc/98/29/33/571982933.db2.gz KSGMXLWBDCFCEL-ZCFIWIBFSA-N 0 0 190.695 2.887 10 0 AFAERN Cc1ccc(C[C@H](C)[C@H](C)O)c(C)c1 41206021 571982955 /nfs/dbraw/zinc/98/29/55/571982955.db2.gz PXJIQFNNTRNCMA-JQWIXIFHSA-N 0 0 192.302 2.863 10 0 AFAERN CC1=C(CCO)C(C)(C)CCC1 13415864 571982964 /nfs/dbraw/zinc/98/29/64/571982964.db2.gz JGJFZOVBBGQGOM-UHFFFAOYSA-N 0 0 168.280 2.895 10 0 AFAERN Cc1cccc([C@@H](C)O)c1OC(C)C 41206817 571982999 /nfs/dbraw/zinc/98/29/99/571982999.db2.gz QPFWUNKEKSJHTP-SNVBAGLBSA-N 0 0 194.274 2.836 10 0 AFAERN CCCCC1=CCCCO1 13380483 571983003 /nfs/dbraw/zinc/98/30/03/571983003.db2.gz JYYFQSTVSLWYGT-UHFFFAOYSA-N 0 0 140.226 2.871 10 0 AFAERN CC/C=C/c1ccc(O)cc1 13380410 571983033 /nfs/dbraw/zinc/98/30/33/571983033.db2.gz AWNHCKLJXWHSSM-ONEGZZNKSA-N 0 0 148.205 2.815 10 0 AFAERN Cc1cc([C@@H](CO)C(C)C)ccc1F 41207362 571983044 /nfs/dbraw/zinc/98/30/44/571983044.db2.gz GWMDBQVBICACEP-NSHDSACASA-N 0 0 196.265 2.866 10 0 AFAERN CC[C@H](CO)c1ccc2c(c1)CCC2 41205081 571983046 /nfs/dbraw/zinc/98/30/46/571983046.db2.gz CUWPTWQJJFROMT-SNVBAGLBSA-N 0 0 190.286 2.661 10 0 AFAERN CC(C)[C@H](C(N)=S)c1ccccc1 41206526 571983104 /nfs/dbraw/zinc/98/31/04/571983104.db2.gz NIDZKCPNRBHDJE-JTQLQIEISA-N 0 0 193.315 2.712 10 0 AFAERN CC1(C)C[C@H](CCO)c2ccccc21 41205106 571983187 /nfs/dbraw/zinc/98/31/87/571983187.db2.gz HOKFDAIZORGMFL-JTQLQIEISA-N 0 0 190.286 2.834 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)c1ccco1 300844072 571983201 /nfs/dbraw/zinc/98/32/01/571983201.db2.gz DOGMIPYMDHUPMK-GXSJLCMTSA-N 0 0 182.263 2.995 10 0 AFAERN CN(Cc1ccccc1)C(F)(F)F 32601226 571983234 /nfs/dbraw/zinc/98/32/34/571983234.db2.gz PFBCIMQMXZOABD-UHFFFAOYSA-N 0 0 189.180 2.638 10 0 AFAERN Cc1ccc([C@H](CO)C2CC2)cc1C 41205071 571983235 /nfs/dbraw/zinc/98/32/35/571983235.db2.gz BDYQXLAVKHXUQT-CYBMUJFWSA-N 0 0 190.286 2.789 10 0 AFAERN OCC[C@H]1CCc2ccc(Cl)cc21 41207446 571983239 /nfs/dbraw/zinc/98/32/39/571983239.db2.gz AUYCCULTKKXFTK-SECBINFHSA-N 0 0 196.677 2.752 10 0 AFAERN Cc1ccc2c(c1)[C@@H](CCO)C[C@@H]2C 41205103 571983297 /nfs/dbraw/zinc/98/32/97/571983297.db2.gz SONOQLWZHYUMHZ-QWRGUYRKSA-N 0 0 190.286 2.968 10 0 AFAERN CC(C=O)c1ccccc1 113969294 571983384 /nfs/dbraw/zinc/98/33/84/571983384.db2.gz MKHXOKALQIHXPI-FPLPWBNLSA-N 0 0 134.178 2.605 10 0 AFAERN CC(C)c1cc(C(F)(F)F)nn1C 41205807 571983389 /nfs/dbraw/zinc/98/33/89/571983389.db2.gz LVKYZEWYLLVMNN-UHFFFAOYSA-N 0 0 192.184 2.562 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)c1ccco1 300844075 571983417 /nfs/dbraw/zinc/98/34/17/571983417.db2.gz DOGMIPYMDHUPMK-MWLCHTKSSA-N 0 0 182.263 2.995 10 0 AFAERN C[C@H](CO)c1ccc2c(c1)CCCC2 41205075 571983469 /nfs/dbraw/zinc/98/34/69/571983469.db2.gz UENYDWBFWZFNPJ-SNVBAGLBSA-N 0 0 190.286 2.661 10 0 AFAERN Cc1cc2cc(O)ccc2nc1Cl 41206558 571983491 /nfs/dbraw/zinc/98/34/91/571983491.db2.gz CCPZLBITMHGQAQ-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1ccc([C@@H](CO)C2CC2)c(C)c1 41205076 571983494 /nfs/dbraw/zinc/98/34/94/571983494.db2.gz UDULYCDLFUJARX-ZDUSSCGKSA-N 0 0 190.286 2.789 10 0 AFAERN Cc1ccc(C[C@@H](C)[C@H](C)O)c(C)c1 41206020 571983497 /nfs/dbraw/zinc/98/34/97/571983497.db2.gz PXJIQFNNTRNCMA-PWSUYJOCSA-N 0 0 192.302 2.863 10 0 AFAERN CC(C)OCCCC(=O)C1CCC1 689398834 571983508 /nfs/dbraw/zinc/98/35/08/571983508.db2.gz CXIRRGYURDREGJ-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccc2c(c1)[C@H](CCO)C[C@H]2C 41205104 571983521 /nfs/dbraw/zinc/98/35/21/571983521.db2.gz SONOQLWZHYUMHZ-GHMZBOCLSA-N 0 0 190.286 2.968 10 0 AFAERN CC(C)C(=O)c1cccc(Cl)c1O 41209583 571983568 /nfs/dbraw/zinc/98/35/68/571983568.db2.gz QQEJQJHPWVQODW-UHFFFAOYSA-N 0 0 198.649 2.884 10 0 AFAERN Cc1cc(C)c(C(=O)C(C)C)c(O)c1 41205948 571983580 /nfs/dbraw/zinc/98/35/80/571983580.db2.gz MVYFNIIOOVYSHJ-UHFFFAOYSA-N 0 0 192.258 2.848 10 0 AFAERN CC[C@H]1CC(=O)c2cccc(OC)c21 41205025 571983590 /nfs/dbraw/zinc/98/35/90/571983590.db2.gz XQOSPLKOZSCYFJ-QMMMGPOBSA-N 0 0 190.242 2.775 10 0 AFAERN Cc1ccc(C(C)(C)C)cc1CCO 41206068 571983911 /nfs/dbraw/zinc/98/39/11/571983911.db2.gz AMKBXKZBDNCGHW-UHFFFAOYSA-N 0 0 192.302 2.827 10 0 AFAERN Cc1ccc([C@@H](CO)C2CC2)cc1C 41205070 571983621 /nfs/dbraw/zinc/98/36/21/571983621.db2.gz BDYQXLAVKHXUQT-ZDUSSCGKSA-N 0 0 190.286 2.789 10 0 AFAERN CCCC[C@H](O)[C@@H]1CCC[C@H]1C 300209064 571983635 /nfs/dbraw/zinc/98/36/35/571983635.db2.gz FDJOCQVAPZOIFL-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc([C@H](CO)C2CC2)ccc1F 41206669 571983661 /nfs/dbraw/zinc/98/36/61/571983661.db2.gz BJNFSFLGTIOENJ-LLVKDONJSA-N 0 0 194.249 2.620 10 0 AFAERN Cc1c[nH]c(=S)sc1=S 196433106 571983679 /nfs/dbraw/zinc/98/36/79/571983679.db2.gz LOJQYPFUYDNYSY-UHFFFAOYSA-N 0 0 175.303 2.844 10 0 AFAERN CSC[C@@H](C)[C@H](O)c1ccccc1 300844851 571983686 /nfs/dbraw/zinc/98/36/86/571983686.db2.gz JDJZBOFZGSCMKK-KOLCDFICSA-N 0 0 196.315 2.719 10 0 AFAERN CCc1ccc2c(c1)[C@H](CCO)CC2 41205098 571983836 /nfs/dbraw/zinc/98/38/36/571983836.db2.gz WHTVNOVZSSYTPG-LBPRGKRZSA-N 0 0 190.286 2.661 10 0 AFAERN CC(C)[C@@H](C(N)=S)c1ccccc1 41206527 571983840 /nfs/dbraw/zinc/98/38/40/571983840.db2.gz NIDZKCPNRBHDJE-SNVBAGLBSA-N 0 0 193.315 2.712 10 0 AFAERN CC[C@H](CO)c1ccc(Cl)s1 41205131 571983865 /nfs/dbraw/zinc/98/38/65/571983865.db2.gz ZTWWWHPOUCNOJI-ZCFIWIBFSA-N 0 0 190.695 2.887 10 0 AFAERN CCCCNc1cncc(Cl)c1 196431191 571983869 /nfs/dbraw/zinc/98/38/69/571983869.db2.gz JXPQTGSIQDLIDF-UHFFFAOYSA-N 0 0 184.670 2.947 10 0 AFAERN CCc1c(N)n[nH]c1CCC(C)(C)C 300842524 571983905 /nfs/dbraw/zinc/98/39/05/571983905.db2.gz JXVVRZDDCVWSGE-UHFFFAOYSA-N 0 0 195.310 2.533 10 0 AFAERN CSC[C@H](C)[C@H](O)c1ccccc1 300844855 571983908 /nfs/dbraw/zinc/98/39/08/571983908.db2.gz JDJZBOFZGSCMKK-ONGXEEELSA-N 0 0 196.315 2.719 10 0 AFAERN OCC[C@@H]1CCc2ccc(Cl)cc21 41207445 571983917 /nfs/dbraw/zinc/98/39/17/571983917.db2.gz AUYCCULTKKXFTK-VIFPVBQESA-N 0 0 196.677 2.752 10 0 AFAERN Cc1cc([C@@H](CO)C2CC2)ccc1F 41206668 571983972 /nfs/dbraw/zinc/98/39/72/571983972.db2.gz BJNFSFLGTIOENJ-NSHDSACASA-N 0 0 194.249 2.620 10 0 AFAERN Cc1cccc([C@H](C)O)c1OC(C)C 41206818 571983991 /nfs/dbraw/zinc/98/39/91/571983991.db2.gz QPFWUNKEKSJHTP-JTQLQIEISA-N 0 0 194.274 2.836 10 0 AFAERN CC1(C)C[C@@H](CCO)c2ccccc21 41205107 571983996 /nfs/dbraw/zinc/98/39/96/571983996.db2.gz HOKFDAIZORGMFL-SNVBAGLBSA-N 0 0 190.286 2.834 10 0 AFAERN Cc1ccc(C)c([C@@H](CO)C2CC2)c1 41205072 571984005 /nfs/dbraw/zinc/98/40/05/571984005.db2.gz BALBAWPDDFNPBH-ZDUSSCGKSA-N 0 0 190.286 2.789 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)c1ccco1 300844076 571984064 /nfs/dbraw/zinc/98/40/64/571984064.db2.gz DOGMIPYMDHUPMK-ONGXEEELSA-N 0 0 182.263 2.995 10 0 AFAERN CC(C)Cc1ccc(C(N)=S)cc1 41206535 571984093 /nfs/dbraw/zinc/98/40/93/571984093.db2.gz CRTLHXMULLJQMY-UHFFFAOYSA-N 0 0 193.315 2.519 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](NN)C1(C)CC1 300843289 571984321 /nfs/dbraw/zinc/98/43/21/571984321.db2.gz DKYJDTPIHHRUQX-WDEREUQCSA-N 0 0 198.354 2.691 10 0 AFAERN CC(C)C[C@H](C)C[C@H](NN)C1(C)CC1 300843287 571984417 /nfs/dbraw/zinc/98/44/17/571984417.db2.gz DKYJDTPIHHRUQX-QWRGUYRKSA-N 0 0 198.354 2.691 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)c1ccco1 300844073 571984426 /nfs/dbraw/zinc/98/44/26/571984426.db2.gz DOGMIPYMDHUPMK-KOLCDFICSA-N 0 0 182.263 2.995 10 0 AFAERN Oc1ccc(/C=C\Br)cc1 13523586 571984465 /nfs/dbraw/zinc/98/44/65/571984465.db2.gz BEBYUMZXLGWXSW-WAYWQWQTSA-N 0 0 199.047 2.758 10 0 AFAERN CC(C)C[C@@H](C)C[C@@H](NN)C1(C)CC1 300843283 571984544 /nfs/dbraw/zinc/98/45/44/571984544.db2.gz DKYJDTPIHHRUQX-GHMZBOCLSA-N 0 0 198.354 2.691 10 0 AFAERN CCC(=O)N(C)c1ccc(CC)cc1 81559634 571984658 /nfs/dbraw/zinc/98/46/58/571984658.db2.gz TVYRRPOOOCCQFR-UHFFFAOYSA-N 0 0 191.274 2.622 10 0 AFAERN CSC[C@H](C)[C@@H](O)c1ccccc1 300844849 571984689 /nfs/dbraw/zinc/98/46/89/571984689.db2.gz JDJZBOFZGSCMKK-GXSJLCMTSA-N 0 0 196.315 2.719 10 0 AFAERN CCCC[C@@H](C)NC(=O)C(C)(C)C 81561197 571984766 /nfs/dbraw/zinc/98/47/66/571984766.db2.gz RFSSAUSNGSZBOY-SECBINFHSA-N 0 0 185.311 2.727 10 0 AFAERN CCCC[C@H](O)[C@H]1CCC[C@H]1C 300209065 571984896 /nfs/dbraw/zinc/98/48/96/571984896.db2.gz FDJOCQVAPZOIFL-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC(=O)N1CCC(CCC)CC1 81561204 571985071 /nfs/dbraw/zinc/98/50/71/571985071.db2.gz ZJIUJMFRZBHHKW-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CCc1cc(O)c2ccccc2c1O 13510318 571985156 /nfs/dbraw/zinc/98/51/56/571985156.db2.gz LYIJEYBEBVILKC-UHFFFAOYSA-N 0 0 188.226 2.813 10 0 AFAERN C/C=C\[C@](C)(O)C1CCCCC1 220007361 571985171 /nfs/dbraw/zinc/98/51/71/571985171.db2.gz IMXOTTYTILNNSU-QSADENFPSA-N 0 0 168.280 2.894 10 0 AFAERN CCOC(=O)N[C@H](C)C1CCCCC1 81560039 571985301 /nfs/dbraw/zinc/98/53/01/571985301.db2.gz ATYWDHWOJOEGNI-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN CCCC[C@@H](C)Nc1ccn(CC)n1 300849209 571985378 /nfs/dbraw/zinc/98/53/78/571985378.db2.gz GVHZKXRIPDXKDU-SNVBAGLBSA-N 0 0 195.310 2.894 10 0 AFAERN CCOC(=O)N(C)c1ccccc1C 81560137 571985379 /nfs/dbraw/zinc/98/53/79/571985379.db2.gz NCHMHGCOOLRNKL-UHFFFAOYSA-N 0 0 193.246 2.588 10 0 AFAERN CCCC[C@H](C)Nc1ccn(CC)n1 300849206 571985624 /nfs/dbraw/zinc/98/56/24/571985624.db2.gz GVHZKXRIPDXKDU-JTQLQIEISA-N 0 0 195.310 2.894 10 0 AFAERN CC(C)(C)C[C@H](O)[C@@]1(C)C[C@@H]1F 713173538 571985629 /nfs/dbraw/zinc/98/56/29/571985629.db2.gz ZLZLCPNELPYMRK-NRPADANISA-N 0 0 174.259 2.532 10 0 AFAERN CCCC1CCN(C(=O)C(C)C)CC1 81561211 571985840 /nfs/dbraw/zinc/98/58/40/571985840.db2.gz MEHXRFMJVMNYFW-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCCCCN(C)C(=O)C(C)(C)C 81561009 571985925 /nfs/dbraw/zinc/98/59/25/571985925.db2.gz BQMNXRYMBOFMET-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN CC[C@@H](C)N(CC)C(=O)C(C)(C)C 81560944 571986053 /nfs/dbraw/zinc/98/60/53/571986053.db2.gz OWPNLVNUOGDCJT-SECBINFHSA-N 0 0 185.311 2.680 10 0 AFAERN CCCSC/C=C/Cl 41364212 571986067 /nfs/dbraw/zinc/98/60/67/571986067.db2.gz ADOADJVANMIKML-ONEGZZNKSA-N 0 0 150.674 2.882 10 0 AFAERN CC(C)n1ccc2c1CCCC2 39103888 571986421 /nfs/dbraw/zinc/98/64/21/571986421.db2.gz ANBCWUXKCQDISE-UHFFFAOYSA-N 0 0 163.264 2.948 10 0 AFAERN CCCC1CCN(C(=O)OCC)CC1 81559962 571986141 /nfs/dbraw/zinc/98/61/41/571986141.db2.gz MGASPGBUZVHQRD-UHFFFAOYSA-N 0 0 199.294 2.655 10 0 AFAERN CCOC(=O)/C=C\c1sccc1C 211622710 571986244 /nfs/dbraw/zinc/98/62/44/571986244.db2.gz YXIUKGXIXIVQPR-PLNGDYQASA-N 0 0 196.271 2.633 10 0 AFAERN CC(C)OCCCC(=O)CC1CCC1 689432205 571986275 /nfs/dbraw/zinc/98/62/75/571986275.db2.gz WAYCDMOSZXOBAL-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)NCCC1CCC(C)CC1 81559583 571986923 /nfs/dbraw/zinc/98/69/23/571986923.db2.gz XJHKCODOONBWNQ-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CC(=O)[C@H](C)C1C=CC=CC=C1 196162963 571986811 /nfs/dbraw/zinc/98/68/11/571986811.db2.gz LHKADTSTROLHHQ-VIFPVBQESA-N 0 0 162.232 2.510 10 0 AFAERN Cc1cc2c(c(C)c1N)CC(C)(C)O2 13652065 571986615 /nfs/dbraw/zinc/98/66/15/571986615.db2.gz GJBAQQAKMPJFBU-UHFFFAOYSA-N 0 0 191.274 2.599 10 0 AFAERN CCc1ccc(C)n1C(C)C 39103071 571986694 /nfs/dbraw/zinc/98/66/94/571986694.db2.gz BDKZNXQRDOMGCP-UHFFFAOYSA-N 0 0 151.253 2.940 10 0 AFAERN CC[C@@]1(C)C(=O)Nc2c(C)cccc21 234001562 571986751 /nfs/dbraw/zinc/98/67/51/571986751.db2.gz DLSVBGUXQNGMTJ-GFCCVEGCSA-N 0 0 189.258 2.615 10 0 AFAERN CC(C)n1cc2ccccc2n1 39103747 571986890 /nfs/dbraw/zinc/98/68/90/571986890.db2.gz WWKQLKZHPMHBSM-UHFFFAOYSA-N 0 0 160.220 2.617 10 0 AFAERN CCC/C=C\CCCCO 114039748 571986897 /nfs/dbraw/zinc/98/68/97/571986897.db2.gz LBVOGNUOCJQDFJ-PLNGDYQASA-N 0 0 142.242 2.505 10 0 AFAERN CSC1=CC(C)(C)C[C@H](C)[C@@H]1O 196164801 571987496 /nfs/dbraw/zinc/98/74/96/571987496.db2.gz KYZLZHUBUNVVBR-CBAPKCEASA-N 0 0 186.320 2.660 10 0 AFAERN CC(=O)[C@@H](C)C1C=CC=CC=C1 196162956 571987036 /nfs/dbraw/zinc/98/70/36/571987036.db2.gz LHKADTSTROLHHQ-SECBINFHSA-N 0 0 162.232 2.510 10 0 AFAERN CCCC/C=C/CCCO 13547552 571987042 /nfs/dbraw/zinc/98/70/42/571987042.db2.gz KANHUDSFOMPVGY-AATRIKPKSA-N 0 0 142.242 2.505 10 0 AFAERN CSC1=CC(C)(C)C[C@@H](C)[C@@H]1O 196164796 571987086 /nfs/dbraw/zinc/98/70/86/571987086.db2.gz KYZLZHUBUNVVBR-APPZFPTMSA-N 0 0 186.320 2.660 10 0 AFAERN CC[C@H](C)C1(O)CC(C(C)C)C1 234002161 571987171 /nfs/dbraw/zinc/98/71/71/571987171.db2.gz UMQIFKAAIYFBRA-WHXUTIOJSA-N 0 0 170.296 2.830 10 0 AFAERN COc1cc(F)cc(Cl)c1F 206845440 571987221 /nfs/dbraw/zinc/98/72/21/571987221.db2.gz AKYPFXSFFIYNJV-UHFFFAOYSA-N 0 0 178.565 2.627 10 0 AFAERN CCCC[C@H](C)[C@@H](O)C(C)C 300851615 571987268 /nfs/dbraw/zinc/98/72/68/571987268.db2.gz BENYXLSYMZZUQN-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN C/C(=C(/C)[N+](=O)[O-])c1ccccc1 13546059 571987491 /nfs/dbraw/zinc/98/74/91/571987491.db2.gz SMLHUHINFZJSHO-CMDGGOBGSA-N 0 0 177.203 2.714 10 0 AFAERN C[C@H](O)c1nsc(Cl)c1Cl 206841581 571987478 /nfs/dbraw/zinc/98/74/78/571987478.db2.gz GRSKWRJBZPAOTE-REOHCLBHSA-N 0 0 198.074 2.503 10 0 AFAERN CC[C@H](C)C[C@]1(O)CCS[C@@H]1C 234003433 571987644 /nfs/dbraw/zinc/98/76/44/571987644.db2.gz HQIPITJKHDTKTB-IVZWLZJFSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)c1nc2cc(F)cc(N)c2o1 41568821 571987663 /nfs/dbraw/zinc/98/76/63/571987663.db2.gz INSKHRQRLUQIGV-UHFFFAOYSA-N 0 0 194.209 2.673 10 0 AFAERN CCC1(CC)CCC(OC)=NC1 713178566 571988484 /nfs/dbraw/zinc/98/84/84/571988484.db2.gz AHIMWKOXDQDUFY-UHFFFAOYSA-N 0 0 169.268 2.632 10 0 AFAERN CC(C)c1ccc2ocnc2c1 41568755 571987681 /nfs/dbraw/zinc/98/76/81/571987681.db2.gz KDBNTZILRWFICA-UHFFFAOYSA-N 0 0 161.204 2.951 10 0 AFAERN CCC(=O)CC1C=CC=CC=C1 196162945 571987883 /nfs/dbraw/zinc/98/78/83/571987883.db2.gz CTPITZOMAHNCBE-UHFFFAOYSA-N 0 0 162.232 2.654 10 0 AFAERN Cc1nc2cc(C(C)C)cc(N)c2o1 41568801 571987901 /nfs/dbraw/zinc/98/79/01/571987901.db2.gz PWTCADLYFMGMAA-UHFFFAOYSA-N 0 0 190.246 2.842 10 0 AFAERN CCCC[C@@H](C)[C@H](O)C(C)C 300851612 571987965 /nfs/dbraw/zinc/98/79/65/571987965.db2.gz BENYXLSYMZZUQN-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CCc1cc(=S)[nH]c([C@@H](C)CC)n1 234004856 571987969 /nfs/dbraw/zinc/98/79/69/571987969.db2.gz SLNWQTBKKCORBG-ZETCQYMHSA-N 0 0 196.319 2.841 10 0 AFAERN Cc1nc2cc3c(cc2[nH]1)CCCC3 41579988 571987977 /nfs/dbraw/zinc/98/79/77/571987977.db2.gz UWSYQYCXJAYMNU-UHFFFAOYSA-N 0 0 186.258 2.750 10 0 AFAERN CC(C)c1cc(N)c2ocnc2c1 41568781 571988119 /nfs/dbraw/zinc/98/81/19/571988119.db2.gz BQCPVZNDWHODRX-UHFFFAOYSA-N 0 0 176.219 2.533 10 0 AFAERN COC[C@H](C)Oc1cccc(C)c1C 234890584 571988149 /nfs/dbraw/zinc/98/81/49/571988149.db2.gz SUDJBDOUWNAYBP-JTQLQIEISA-N 0 0 194.274 2.717 10 0 AFAERN Cc1c(Cl)c(C)c2ncoc2c1N 41568825 571988219 /nfs/dbraw/zinc/98/82/19/571988219.db2.gz MGHIYSHPOIVZFX-UHFFFAOYSA-N 0 0 196.637 2.680 10 0 AFAERN CC[C@H](C)c1nc(O)c(C(C)C)[nH]1 234004701 571988224 /nfs/dbraw/zinc/98/82/24/571988224.db2.gz MYZKSRVDBBGAKD-ZETCQYMHSA-N 0 0 182.267 2.752 10 0 AFAERN c1cc2c(cc1[C@@H]1CCS1)OCO2 219445329 571988293 /nfs/dbraw/zinc/98/82/93/571988293.db2.gz ZJTUQSFBPVYRHD-JTQLQIEISA-N 0 0 194.255 2.593 10 0 AFAERN CCc1cc(N)c2oc(CC)nc2c1 41568803 571988455 /nfs/dbraw/zinc/98/84/55/571988455.db2.gz SJXTZEQJUZTWIU-UHFFFAOYSA-N 0 0 190.246 2.535 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)COC(C)C 300857519 571988634 /nfs/dbraw/zinc/98/86/34/571988634.db2.gz CAURQPABQJWMRS-MNOVXSKESA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)C[C@@H](C)c1ncc(CO)s1 300854719 571988745 /nfs/dbraw/zinc/98/87/45/571988745.db2.gz FUJQJTDUFSBXEM-MRVPVSSYSA-N 0 0 199.319 2.785 10 0 AFAERN COc1ccc(/C=C/Cl)cc1OC 13545977 571988771 /nfs/dbraw/zinc/98/87/71/571988771.db2.gz APKQEHWSFRREIE-AATRIKPKSA-N 0 0 198.649 2.913 10 0 AFAERN CC(=O)Sc1csc(C)c1 196173261 571988860 /nfs/dbraw/zinc/98/88/60/571988860.db2.gz KDOCZPWATOLKTR-UHFFFAOYSA-N 0 0 172.274 2.695 10 0 AFAERN O=C1CC[C@H]2CCCC[C@@H]1C2 206892047 571988876 /nfs/dbraw/zinc/98/88/76/571988876.db2.gz UDJJGBHNIUAFFD-RKDXNWHRSA-N 0 0 152.237 2.546 10 0 AFAERN CCCC[C@H](C)[C@@H](O)COC(C)C 300857523 571989026 /nfs/dbraw/zinc/98/90/26/571989026.db2.gz CAURQPABQJWMRS-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN Nc1cc[nH]c1-c1cccc2[nH]ccc12 74239896 571989089 /nfs/dbraw/zinc/98/90/89/571989089.db2.gz BFIXSSKSJLQJHB-UHFFFAOYSA-N 0 0 197.241 2.745 10 0 AFAERN CC(C)C[C@H](C)C[C@H](NN)C1CCC1 300857199 571989112 /nfs/dbraw/zinc/98/91/12/571989112.db2.gz GAJNMJFLJRAJCB-JQWIXIFHSA-N 0 0 198.354 2.691 10 0 AFAERN CC(C)C[C@H](C)c1ncc(CO)s1 300854720 571989270 /nfs/dbraw/zinc/98/92/70/571989270.db2.gz FUJQJTDUFSBXEM-QMMMGPOBSA-N 0 0 199.319 2.785 10 0 AFAERN CC[C@]1(C)CCC(=O)C[C@H]1C 139949753 571989288 /nfs/dbraw/zinc/98/92/88/571989288.db2.gz QTLPQJJMLOKWME-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@]1(C)CCC(=O)C[C@H]1C 139949895 571989319 /nfs/dbraw/zinc/98/93/19/571989319.db2.gz QTLPQJJMLOKWME-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(Cl)ccc1C(O)=S 139906893 571989506 /nfs/dbraw/zinc/98/95/06/571989506.db2.gz PSCUNGMFFMRVBU-UHFFFAOYSA-N 0 0 186.663 2.882 10 0 AFAERN Cc1ccncc1-c1cccc(N)c1C 114028901 571989624 /nfs/dbraw/zinc/98/96/24/571989624.db2.gz JIGDILHEWDVIFA-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](NN)C1CCC1 300857200 571989721 /nfs/dbraw/zinc/98/97/21/571989721.db2.gz GAJNMJFLJRAJCB-PWSUYJOCSA-N 0 0 198.354 2.691 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](NN)C1CCC1 300857198 571989764 /nfs/dbraw/zinc/98/97/64/571989764.db2.gz GAJNMJFLJRAJCB-CMPLNLGQSA-N 0 0 198.354 2.691 10 0 AFAERN Fc1ccc2ccn3c2c1CCC3 139936050 571989981 /nfs/dbraw/zinc/98/99/81/571989981.db2.gz OPUCTZJOZSPODH-UHFFFAOYSA-N 0 0 175.206 2.727 10 0 AFAERN CC(=O)C1(C)[C@@H](C)CC[C@@H]1C 206883029 571990088 /nfs/dbraw/zinc/99/00/88/571990088.db2.gz IUGGCYGUIRMRRC-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN Fc1cc2c3c(ccn3CCC2)c1 139936302 571990277 /nfs/dbraw/zinc/99/02/77/571990277.db2.gz XUGFQMBJMCYJHT-UHFFFAOYSA-N 0 0 175.206 2.727 10 0 AFAERN CSC[C@@H](C)C(=O)c1ccoc1C 300856810 571990210 /nfs/dbraw/zinc/99/02/10/571990210.db2.gz IIXWCNGVOFLHEA-SSDOTTSWSA-N 0 0 198.287 2.770 10 0 AFAERN C[C@@H](O)CC[C@H]1CCCCCCC1=O 139942349 571990419 /nfs/dbraw/zinc/99/04/19/571990419.db2.gz QNNHUUXRJMLXSP-GHMZBOCLSA-N 0 0 198.306 2.687 10 0 AFAERN CCCC[C@H](C)[C@H](O)COC(C)C 300857528 571990527 /nfs/dbraw/zinc/99/05/27/571990527.db2.gz CAURQPABQJWMRS-WDEREUQCSA-N 0 0 188.311 2.599 10 0 AFAERN CCOc1oc(C(C)C)nc1C 39104334 571990588 /nfs/dbraw/zinc/99/05/88/571990588.db2.gz JGYPHHZHYQSVOT-UHFFFAOYSA-N 0 0 169.224 2.505 10 0 AFAERN CCc1cccc2sc(NC)nc12 41651257 571990598 /nfs/dbraw/zinc/99/05/98/571990598.db2.gz NZCYNERTOWARJK-UHFFFAOYSA-N 0 0 192.287 2.900 10 0 AFAERN CSC[C@H](C)C(=O)c1ccoc1C 300856814 571990655 /nfs/dbraw/zinc/99/06/55/571990655.db2.gz IIXWCNGVOFLHEA-ZETCQYMHSA-N 0 0 198.287 2.770 10 0 AFAERN C[C@H](O)CC[C@@H]1CCCCCCC1=O 139941947 571990702 /nfs/dbraw/zinc/99/07/02/571990702.db2.gz QNNHUUXRJMLXSP-QWRGUYRKSA-N 0 0 198.306 2.687 10 0 AFAERN CCc1c(OC)cn2ccccc12 196170826 571990724 /nfs/dbraw/zinc/99/07/24/571990724.db2.gz VNOVIJMJUZMEBG-UHFFFAOYSA-N 0 0 175.231 2.510 10 0 AFAERN CC(C)C1(C(C)C)CCSC1=O 13821496 571990909 /nfs/dbraw/zinc/99/09/09/571990909.db2.gz BESKKAHVSLKRGI-UHFFFAOYSA-N 0 0 186.320 2.948 10 0 AFAERN C[C@H](O)c1cc(Cl)cc2ncoc12 41652816 571990866 /nfs/dbraw/zinc/99/08/66/571990866.db2.gz UBPPSPJXZUCJNS-YFKPBYRVSA-N 0 0 197.621 2.535 10 0 AFAERN CC(C)c1n[nH]cc1C(C)(C)C 39104075 571990959 /nfs/dbraw/zinc/99/09/59/571990959.db2.gz MWXQPJGHPQKRPY-UHFFFAOYSA-N 0 0 166.268 2.831 10 0 AFAERN CC[C@@]1(C)CCC(=O)C[C@@H]1C 139949612 571991142 /nfs/dbraw/zinc/99/11/42/571991142.db2.gz QTLPQJJMLOKWME-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)[C@]1(c2ccccc2)N[C@@H]1C 39104867 571991184 /nfs/dbraw/zinc/99/11/84/571991184.db2.gz UZNJPZORKDIHBN-PWSUYJOCSA-N 0 0 175.275 2.530 10 0 AFAERN Cc1cc2c(n1C(C)C)CCCC2=O 41705314 571991440 /nfs/dbraw/zinc/99/14/40/571991440.db2.gz HPYKBHFMQFUBOR-UHFFFAOYSA-N 0 0 191.274 2.896 10 0 AFAERN CC(C)Nc1nnc(C(C)(C)C)s1 41651067 571991470 /nfs/dbraw/zinc/99/14/70/571991470.db2.gz YSUNIAXCKOOIIF-UHFFFAOYSA-N 0 0 199.323 2.656 10 0 AFAERN CCCCCCn1cc(C)cn1 113507674 571991508 /nfs/dbraw/zinc/99/15/08/571991508.db2.gz AIRMBZHFKYLCDL-UHFFFAOYSA-N 0 0 166.268 2.772 10 0 AFAERN Cc1ccc2c(N)c(Cl)cnc2c1 41702178 571991653 /nfs/dbraw/zinc/99/16/53/571991653.db2.gz DCUAQOVXSWGMTP-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Nc1cccc2[nH]c(-c3cc[nH]c3)cc12 74239888 571991707 /nfs/dbraw/zinc/99/17/07/571991707.db2.gz XWSCZFNNTVRSGF-UHFFFAOYSA-N 0 0 197.241 2.745 10 0 AFAERN C[C@H](O)CC[C@H]1CCCCCCC1=O 139942209 571991749 /nfs/dbraw/zinc/99/17/49/571991749.db2.gz QNNHUUXRJMLXSP-WDEREUQCSA-N 0 0 198.306 2.687 10 0 AFAERN CC(C)n1cc(O)c2ccccc21 39104831 571991807 /nfs/dbraw/zinc/99/18/07/571991807.db2.gz RCMQBRNTNSWTTL-UHFFFAOYSA-N 0 0 175.231 2.928 10 0 AFAERN CC(C)Cn1ccc2c1CCCC2=O 41705109 571991958 /nfs/dbraw/zinc/99/19/58/571991958.db2.gz NXCDGQAMZJDULB-UHFFFAOYSA-N 0 0 191.274 2.663 10 0 AFAERN CCC(=O)c1cccc2c1CCCN2 77946870 571992032 /nfs/dbraw/zinc/99/20/32/571992032.db2.gz VOGOJDMZXCAZHO-UHFFFAOYSA-N 0 0 189.258 2.637 10 0 AFAERN CCCC[C@H]1C[C@@H]1C 140007507 571992355 /nfs/dbraw/zinc/99/23/55/571992355.db2.gz IWTBNPKBPXCCIV-YUMQZZPRSA-N 0 0 112.216 2.833 10 0 AFAERN C=CC(=C)c1ccc(OC)cc1 140005003 571992392 /nfs/dbraw/zinc/99/23/92/571992392.db2.gz RNDNGVSEFYFYRM-UHFFFAOYSA-N 0 0 160.216 2.894 10 0 AFAERN C/C1=C/CCCC(=O)CCC1 140001101 571992441 /nfs/dbraw/zinc/99/24/41/571992441.db2.gz USIUIHFRXOLFEF-UITAMQMPSA-N 0 0 152.237 2.856 10 0 AFAERN Cc1noc(C)c1CCC(C)C 39113267 571992497 /nfs/dbraw/zinc/99/24/97/571992497.db2.gz DCERTATUPWSDGS-UHFFFAOYSA-N 0 0 167.252 2.880 10 0 AFAERN CC(C)C(=O)[C@H]1C[C@@H]1C(C)C 139978569 571992562 /nfs/dbraw/zinc/99/25/62/571992562.db2.gz JURZFSITXRAWOS-BDAKNGLRSA-N 0 0 154.253 2.504 10 0 AFAERN CCn1ccc(N[C@@H](C)CC2CC2)n1 300864883 571992615 /nfs/dbraw/zinc/99/26/15/571992615.db2.gz JQLPFAFNVLZUKT-VIFPVBQESA-N 0 0 193.294 2.504 10 0 AFAERN Cc1ccsc1[C@@H](C)c1c[nH]cn1 13862247 571992697 /nfs/dbraw/zinc/99/26/97/571992697.db2.gz AOISAOGWBMJBPG-QMMMGPOBSA-N 0 0 192.287 2.931 10 0 AFAERN OC[C@@H]1CCC=C[C@H]1c1ccccc1 140001742 571992727 /nfs/dbraw/zinc/99/27/27/571992727.db2.gz IFDFGGNLZLFPEX-STQMWFEESA-N 0 0 188.270 2.729 10 0 AFAERN C[C@H](O)c1cc(Cl)c2ocnc2c1 41652592 571992758 /nfs/dbraw/zinc/99/27/58/571992758.db2.gz UOHKUVFBIAMKOC-YFKPBYRVSA-N 0 0 197.621 2.535 10 0 AFAERN CCc1ccc2nc(NC)sc2c1 41651272 571992824 /nfs/dbraw/zinc/99/28/24/571992824.db2.gz AWAHIKCDPJMAGN-UHFFFAOYSA-N 0 0 192.287 2.900 10 0 AFAERN Cc1cccc2c(N)c(Cl)cnc12 41702184 571992829 /nfs/dbraw/zinc/99/28/29/571992829.db2.gz NYMQFGUACONKPP-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCCC[C@@H](C)[C@@H](NN)c1ccoc1 300863245 571992851 /nfs/dbraw/zinc/99/28/51/571992851.db2.gz CSVHYUFLMBBHCF-MWLCHTKSSA-N 0 0 196.294 2.610 10 0 AFAERN CC(C)C1=CC=C[C@@]2(C(C)C)N=C12 39104808 571992852 /nfs/dbraw/zinc/99/28/52/571992852.db2.gz ARZMIHXTRFGFGP-LBPRGKRZSA-N 0 0 175.275 2.988 10 0 AFAERN OC[C@H]1CCC=C[C@H]1c1ccccc1 140001447 571993280 /nfs/dbraw/zinc/99/32/80/571993280.db2.gz IFDFGGNLZLFPEX-OLZOCXBDSA-N 0 0 188.270 2.729 10 0 AFAERN C[C@H](O)c1cccn1-c1ccccc1 13886408 571993060 /nfs/dbraw/zinc/99/30/60/571993060.db2.gz VDJCGQVXCYVCLH-JTQLQIEISA-N 0 0 187.242 2.531 10 0 AFAERN CC(C)C/C(=C/c1ccoc1)[N+](=O)[O-] 213965819 571993078 /nfs/dbraw/zinc/99/30/78/571993078.db2.gz PRNWFIXPYGMPML-POHAHGRESA-N 0 0 195.218 2.943 10 0 AFAERN CC(C)(C)COC1CCC(=O)CC1 713179006 571993092 /nfs/dbraw/zinc/99/30/92/571993092.db2.gz FCFGTLLYFPQBFL-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC[C@@H](C)c1n[nH]c(CC)n1 300864024 571993134 /nfs/dbraw/zinc/99/31/34/571993134.db2.gz CVTAEQLWZZNTPA-MRVPVSSYSA-N 0 0 181.283 2.661 10 0 AFAERN CCCC[C@@H](C)[C@H](NN)c1ccoc1 300863244 571993173 /nfs/dbraw/zinc/99/31/73/571993173.db2.gz CSVHYUFLMBBHCF-KOLCDFICSA-N 0 0 196.294 2.610 10 0 AFAERN CCCC[C@H](C)c1n[nH]c(CC)n1 300864025 571993180 /nfs/dbraw/zinc/99/31/80/571993180.db2.gz CVTAEQLWZZNTPA-QMMMGPOBSA-N 0 0 181.283 2.661 10 0 AFAERN CCC(CC)CO[C@@H](C)C[C@H](C)O 300867007 571993419 /nfs/dbraw/zinc/99/34/19/571993419.db2.gz OYILLRVCZXKLJJ-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN CCc1cc(CC)c2c(c1)NCC2 39111432 571994732 /nfs/dbraw/zinc/99/47/32/571994732.db2.gz BIYSNXIKYVLOJI-UHFFFAOYSA-N 0 0 175.275 2.779 10 0 AFAERN CC[C@@H]1CCC[C@@H](CC)C1=O 139959103 571993460 /nfs/dbraw/zinc/99/34/60/571993460.db2.gz CATGMLRVPMQRJQ-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CCN(CC)C(=O)C(C(C)C)C(C)C 113519598 571993561 /nfs/dbraw/zinc/99/35/61/571993561.db2.gz XLNKODMVSKLVDZ-UHFFFAOYSA-N 0 0 199.338 2.783 10 0 AFAERN Cc1ccc2c(c1)NC[C@H](C)CC2 219471702 571993568 /nfs/dbraw/zinc/99/35/68/571993568.db2.gz YBRYXLDSCQSMFQ-SNVBAGLBSA-N 0 0 175.275 2.989 10 0 AFAERN CCn1ccc(N[C@H](C)CC2CC2)n1 300864876 571993570 /nfs/dbraw/zinc/99/35/70/571993570.db2.gz JQLPFAFNVLZUKT-SECBINFHSA-N 0 0 193.294 2.504 10 0 AFAERN C[C@H](O)C1(CCC(C)(C)C)CC1 235567817 571993642 /nfs/dbraw/zinc/99/36/42/571993642.db2.gz FTWSHLIBWSFHQL-VIFPVBQESA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)C1(CCCC(F)(F)F)CC1 235567891 571993650 /nfs/dbraw/zinc/99/36/50/571993650.db2.gz FQQACBSDIQFZGJ-ZETCQYMHSA-N 0 0 196.212 2.880 10 0 AFAERN CCc1cccc2c1NC(=O)[C@@H]2CC 140039235 571993729 /nfs/dbraw/zinc/99/37/29/571993729.db2.gz CHQAKFMCUDRPNP-SECBINFHSA-N 0 0 189.258 2.695 10 0 AFAERN CCCC[C@H](C)[C@H](NN)c1ccoc1 300863246 571993735 /nfs/dbraw/zinc/99/37/35/571993735.db2.gz CSVHYUFLMBBHCF-ONGXEEELSA-N 0 0 196.294 2.610 10 0 AFAERN CCC(CC)CO[C@@H](C)C[C@@H](C)O 300867013 571993739 /nfs/dbraw/zinc/99/37/39/571993739.db2.gz OYILLRVCZXKLJJ-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN CCCc1cccc2c1CC[C@H]2O 140063441 571993811 /nfs/dbraw/zinc/99/38/11/571993811.db2.gz LSTLGSNITTXFSM-GFCCVEGCSA-N 0 0 176.259 2.619 10 0 AFAERN CCc1cccc2c1NC(=O)[C@H]2CC 140039337 571993816 /nfs/dbraw/zinc/99/38/16/571993816.db2.gz CHQAKFMCUDRPNP-VIFPVBQESA-N 0 0 189.258 2.695 10 0 AFAERN OC[C@H]1CCC=C[C@@H]1c1ccccc1 140001595 571993845 /nfs/dbraw/zinc/99/38/45/571993845.db2.gz IFDFGGNLZLFPEX-CHWSQXEVSA-N 0 0 188.270 2.729 10 0 AFAERN C=C=C1c2ccccc2CCC[C@@H]1O 139978239 571993901 /nfs/dbraw/zinc/99/39/01/571993901.db2.gz LXKFGGSEDSOWGV-ZDUSSCGKSA-N 0 0 186.254 2.552 10 0 AFAERN CCC(CC)CO[C@H](C)C[C@@H](C)O 300867004 571993954 /nfs/dbraw/zinc/99/39/54/571993954.db2.gz OYILLRVCZXKLJJ-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN Cc1cscc1[C@@H](C)c1c[nH]cn1 13862262 571994067 /nfs/dbraw/zinc/99/40/67/571994067.db2.gz DKEYDQKPJKGGJB-MRVPVSSYSA-N 0 0 192.287 2.931 10 0 AFAERN CCC(CC)COc1ccc(C=O)o1 300862317 571994072 /nfs/dbraw/zinc/99/40/72/571994072.db2.gz NUTCMTIDJPRQFH-UHFFFAOYSA-N 0 0 196.246 2.907 10 0 AFAERN CC(C)C[C@H](C)Cc1cccnc1N 300867681 571994488 /nfs/dbraw/zinc/99/44/88/571994488.db2.gz HFNDQXVQMRPSSC-JTQLQIEISA-N 0 0 192.306 2.889 10 0 AFAERN CC(C)C[C@@H](C)Cc1cccnc1N 300867682 571994539 /nfs/dbraw/zinc/99/45/39/571994539.db2.gz HFNDQXVQMRPSSC-SNVBAGLBSA-N 0 0 192.306 2.889 10 0 AFAERN CC(C)Cn1ccc2c1CCC[C@H]2O 41712508 571994710 /nfs/dbraw/zinc/99/47/10/571994710.db2.gz VYRWMAUOMPBMNM-GFCCVEGCSA-N 0 0 193.290 2.514 10 0 AFAERN CC(C)c1ncnc2[nH]c(Cl)cc12 219523958 571994816 /nfs/dbraw/zinc/99/48/16/571994816.db2.gz XQNCBWYBKMYJQX-UHFFFAOYSA-N 0 0 195.653 2.735 10 0 AFAERN CC(C)=C[C@@H](O)[C@H](C)CC(C)C 300867704 571995011 /nfs/dbraw/zinc/99/50/11/571995011.db2.gz HGMFWUHUHBDITM-GHMZBOCLSA-N 0 0 170.296 2.996 10 0 AFAERN CCC[C@@H](CC)Nc1ccn(CC)n1 300868664 571994916 /nfs/dbraw/zinc/99/49/16/571994916.db2.gz KIKPENQXJWVVTD-SNVBAGLBSA-N 0 0 195.310 2.894 10 0 AFAERN CCCC[C@@H](C)[C@H](O)c1cc[nH]c1 300866388 571995061 /nfs/dbraw/zinc/99/50/61/571995061.db2.gz DCUCRFDXWNUPFF-KOLCDFICSA-N 0 0 181.279 2.874 10 0 AFAERN CC1(c2ccccc2Cl)OCCO1 34597099 571995071 /nfs/dbraw/zinc/99/50/71/571995071.db2.gz VFAUBSDSOYYZKZ-UHFFFAOYSA-N 0 0 198.649 2.560 10 0 AFAERN CCCC[C@H](C)C(=O)CSC 300872963 571995173 /nfs/dbraw/zinc/99/51/73/571995173.db2.gz FAWWXRXLJNANSM-QMMMGPOBSA-N 0 0 174.309 2.745 10 0 AFAERN CC(C)(C)CCCC(=O)c1ncc[nH]1 300866433 571995236 /nfs/dbraw/zinc/99/52/36/571995236.db2.gz MQEQPPOOJIQBMT-UHFFFAOYSA-N 0 0 194.278 2.809 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)CC1CC1 300869764 571995507 /nfs/dbraw/zinc/99/55/07/571995507.db2.gz PJXQSWLAUPPSNY-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN CSC[C@@H](C)C(=O)c1ccc(C)o1 300868807 571995607 /nfs/dbraw/zinc/99/56/07/571995607.db2.gz JRIWLKUJJLPQSP-SSDOTTSWSA-N 0 0 198.287 2.770 10 0 AFAERN CCOCc1cccc2c1CCCN2 233768333 571995734 /nfs/dbraw/zinc/99/57/34/571995734.db2.gz QXKQXZZHRVPYFC-UHFFFAOYSA-N 0 0 191.274 2.581 10 0 AFAERN CCCC[C@@H](C)C(=O)CSC 300872961 571995741 /nfs/dbraw/zinc/99/57/41/571995741.db2.gz FAWWXRXLJNANSM-MRVPVSSYSA-N 0 0 174.309 2.745 10 0 AFAERN CSC[C@H](C)C(=O)c1ccc(C)o1 300868809 571995742 /nfs/dbraw/zinc/99/57/42/571995742.db2.gz JRIWLKUJJLPQSP-ZETCQYMHSA-N 0 0 198.287 2.770 10 0 AFAERN Cc1csc(-c2ccno2)c1 39113196 571995794 /nfs/dbraw/zinc/99/57/94/571995794.db2.gz SLBBFMFKDAZJKY-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN CC(C)=C[C@H](O)[C@@H](C)CC(C)C 300867707 571995810 /nfs/dbraw/zinc/99/58/10/571995810.db2.gz HGMFWUHUHBDITM-QWRGUYRKSA-N 0 0 170.296 2.996 10 0 AFAERN O=Cc1occ2c1O[C@@H]1CCCC[C@@H]21 74270575 571995952 /nfs/dbraw/zinc/99/59/52/571995952.db2.gz BHVZQDMACPLPRS-IONNQARKSA-N 0 0 192.214 2.511 10 0 AFAERN CCC[C@H](CC)Nc1ccn(CC)n1 300868662 571995962 /nfs/dbraw/zinc/99/59/62/571995962.db2.gz KIKPENQXJWVVTD-JTQLQIEISA-N 0 0 195.310 2.894 10 0 AFAERN CCC(C)(C)C[C@H]1CCC[C@H]1O 713182057 571996296 /nfs/dbraw/zinc/99/62/96/571996296.db2.gz IPNVWBGDCIDQET-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@H](C)[C@@H](O)c1cc[nH]c1 300866384 571996384 /nfs/dbraw/zinc/99/63/84/571996384.db2.gz DCUCRFDXWNUPFF-GXSJLCMTSA-N 0 0 181.279 2.874 10 0 AFAERN CC1=CCC[C@@H](Cc2c[nH]cn2)C1 39133206 571996392 /nfs/dbraw/zinc/99/63/92/571996392.db2.gz VLRCBLQEGQVHLH-SNVBAGLBSA-N 0 0 176.263 2.699 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)CC1CC1 300869768 571996545 /nfs/dbraw/zinc/99/65/45/571996545.db2.gz PJXQSWLAUPPSNY-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN CCO[C@]12CCC[C@H]1C2(Cl)Cl 39112463 571996912 /nfs/dbraw/zinc/99/69/12/571996912.db2.gz RWEMKQOYDZEILV-RNFRBKRXSA-N 0 0 195.089 2.749 10 0 AFAERN CCCCC(=O)c1csnc1OC 712861325 571996929 /nfs/dbraw/zinc/99/69/29/571996929.db2.gz ALXLCFRRUAVMEO-UHFFFAOYSA-N 0 0 199.275 2.525 10 0 AFAERN CC(C)c1c(N)sc2ocnc12 74300545 571997106 /nfs/dbraw/zinc/99/71/06/571997106.db2.gz FEBDHZWMHYNXHG-UHFFFAOYSA-N 0 0 182.248 2.595 10 0 AFAERN CC(C)c1noc(-c2ccco2)c1N 74270285 571997137 /nfs/dbraw/zinc/99/71/37/571997137.db2.gz MVHAWOVMCOGZMR-UHFFFAOYSA-N 0 0 192.218 2.640 10 0 AFAERN CCO[C@@]12CCC[C@@H]1C2(Cl)Cl 39112462 571997468 /nfs/dbraw/zinc/99/74/68/571997468.db2.gz RWEMKQOYDZEILV-BQBZGAKWSA-N 0 0 195.089 2.749 10 0 AFAERN CCC(C)(C)C[C@@H]1CCC[C@@H]1O 713182060 571997385 /nfs/dbraw/zinc/99/73/85/571997385.db2.gz IPNVWBGDCIDQET-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(C)(C)Cn1ccc(C=O)c1 713181921 571997422 /nfs/dbraw/zinc/99/74/22/571997422.db2.gz HCUJLUGIESDGMT-UHFFFAOYSA-N 0 0 179.263 2.737 10 0 AFAERN C[C@@H](c1ccccc1)c1c[nH]cn1 39132870 571997440 /nfs/dbraw/zinc/99/74/40/571997440.db2.gz FDKDATUVJLVLHB-VIFPVBQESA-N 0 0 172.231 2.562 10 0 AFAERN CC(C)C[C@@H](C)CNc1cnns1 300870279 571997480 /nfs/dbraw/zinc/99/74/80/571997480.db2.gz HMOWMKRZBFZHAX-MRVPVSSYSA-N 0 0 199.323 2.632 10 0 AFAERN CC1=CCC[C@H](Cc2c[nH]cn2)C1 39133205 571997464 /nfs/dbraw/zinc/99/74/64/571997464.db2.gz VLRCBLQEGQVHLH-JTQLQIEISA-N 0 0 176.263 2.699 10 0 AFAERN COCCCNc1cccc(C)c1F 300870641 571997866 /nfs/dbraw/zinc/99/78/66/571997866.db2.gz POQMYHGDALOJLM-UHFFFAOYSA-N 0 0 197.253 2.583 10 0 AFAERN Cc1cn2c(C)c(C)cc2c(C)n1 39114533 571997902 /nfs/dbraw/zinc/99/79/02/571997902.db2.gz AMDXCONXKQRFKV-UHFFFAOYSA-N 0 0 174.247 2.568 10 0 AFAERN CC(C)C[C@H](C)CNc1nncs1 300877940 571997919 /nfs/dbraw/zinc/99/79/19/571997919.db2.gz ILIBDHIUEVBVLB-QMMMGPOBSA-N 0 0 199.323 2.632 10 0 AFAERN Cc1cc(-c2ccccc2N)ccn1 206772436 571997926 /nfs/dbraw/zinc/99/79/26/571997926.db2.gz ZDHMYXUWUKFHKZ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)C(F)(F)F 300871120 571998057 /nfs/dbraw/zinc/99/80/57/571998057.db2.gz HOCPACPQIGBVIL-RQJHMYQMSA-N 0 0 184.201 2.592 10 0 AFAERN CC(C)[C@H]1OCc2ccccc2O1 39120045 571998093 /nfs/dbraw/zinc/99/80/93/571998093.db2.gz ASJUERIXVDVGDZ-NSHDSACASA-N 0 0 178.231 2.578 10 0 AFAERN CCCCN1CCCCC1=S 39124625 571998120 /nfs/dbraw/zinc/99/81/20/571998120.db2.gz XFFXSMHSIUWVHG-UHFFFAOYSA-N 0 0 171.309 2.600 10 0 AFAERN CCOC1CC(n2c(C)ccc2C)C1 233773794 571998198 /nfs/dbraw/zinc/99/81/98/571998198.db2.gz KNVINDQBTAMPBJ-UHFFFAOYSA-N 0 0 193.290 2.845 10 0 AFAERN CC(C)C[C@@H](C)CC1(O)CCC1 300877915 571998409 /nfs/dbraw/zinc/99/84/09/571998409.db2.gz ILHLMLNILVTUQL-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](O)C1CC1 300870235 571998412 /nfs/dbraw/zinc/99/84/12/571998412.db2.gz HLUHIJUSRDBHQY-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C[C@@]1(C)[C@@H](O)CC(C)(C)C 713183473 571998450 /nfs/dbraw/zinc/99/84/50/571998450.db2.gz OZMCBPPFAFGXMV-WCABBAIRSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cc2onc(C)c2cc1C 39218526 571998529 /nfs/dbraw/zinc/99/85/29/571998529.db2.gz SDBCKBMXHBYHHZ-UHFFFAOYSA-N 0 0 161.204 2.753 10 0 AFAERN C[C@@H]1C[C@]1(C)[C@H](O)CC(C)(C)C 713183472 571998609 /nfs/dbraw/zinc/99/86/09/571998609.db2.gz OZMCBPPFAFGXMV-KKZNHRDASA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C[C@@]1(C)[C@H](O)CC(C)(C)C 713183470 571998613 /nfs/dbraw/zinc/99/86/13/571998613.db2.gz OZMCBPPFAFGXMV-FXPVBKGRSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](C)Oc1cc(C)c(F)cc1N 234018086 571998623 /nfs/dbraw/zinc/99/86/23/571998623.db2.gz BARFFFALCKAIJQ-QMMMGPOBSA-N 0 0 197.253 2.894 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)C(F)(F)F 300871119 571998645 /nfs/dbraw/zinc/99/86/45/571998645.db2.gz HOCPACPQIGBVIL-RNFRBKRXSA-N 0 0 184.201 2.592 10 0 AFAERN CC1(C)CCCC(C)(C)O1 39251259 571998711 /nfs/dbraw/zinc/99/87/11/571998711.db2.gz XNOGONRNEMKHIO-UHFFFAOYSA-N 0 0 142.242 2.744 10 0 AFAERN CCC(CC)CO[C@H](C)[C@H](O)CC 300873776 571998718 /nfs/dbraw/zinc/99/87/18/571998718.db2.gz QFVLEWBEOGWRNH-MWLCHTKSSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)C[C@@H](C)CNc1nncs1 300877936 571998809 /nfs/dbraw/zinc/99/88/09/571998809.db2.gz ILIBDHIUEVBVLB-MRVPVSSYSA-N 0 0 199.323 2.632 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](O)C1CC1 300870237 571998949 /nfs/dbraw/zinc/99/89/49/571998949.db2.gz HLUHIJUSRDBHQY-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CCC(CC)CO[C@H](C)[C@@H](O)CC 300873775 571999013 /nfs/dbraw/zinc/99/90/13/571999013.db2.gz QFVLEWBEOGWRNH-KOLCDFICSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](OC)C(=O)c1ccccc1 124485961 571999060 /nfs/dbraw/zinc/99/90/60/571999060.db2.gz DEJBTLYLRUISIU-NSHDSACASA-N 0 0 192.258 2.684 10 0 AFAERN CC(C)C[C@H](C)CC1(O)CCC1 300877911 571999080 /nfs/dbraw/zinc/99/90/80/571999080.db2.gz ILHLMLNILVTUQL-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN CCC(F)(F)[C@@H](O)CC(C)(C)C 713182921 571999136 /nfs/dbraw/zinc/99/91/36/571999136.db2.gz NPQYILDZPYUCOB-ZETCQYMHSA-N 0 0 180.238 2.829 10 0 AFAERN COC(=O)N(C)c1ccc(Cl)cc1 33605059 571999221 /nfs/dbraw/zinc/99/92/21/571999221.db2.gz JEIIZSXVMZQRSN-UHFFFAOYSA-N 0 0 199.637 2.543 10 0 AFAERN CC1(C)Oc2ccccc2S1 39198704 571999249 /nfs/dbraw/zinc/99/92/49/571999249.db2.gz KREIDUINHPOIDI-UHFFFAOYSA-N 0 0 166.245 2.907 10 0 AFAERN Cc1cnc2c(c1C)CCCC2 39200046 572000494 /nfs/dbraw/zinc/00/04/94/572000494.db2.gz XMRATDSBBLBUDC-UHFFFAOYSA-N 0 0 161.248 2.577 10 0 AFAERN CC(C)C(C)(C)CNOCC1CCC1 713181861 571999416 /nfs/dbraw/zinc/99/94/16/571999416.db2.gz JXDJPWFBVAYJIS-UHFFFAOYSA-N 0 0 199.338 2.990 10 0 AFAERN C/C(=C/Cc1ccccc1)[C@H](C)O 213965980 571999425 /nfs/dbraw/zinc/99/94/25/571999425.db2.gz MUDFTHYDIDIECT-IEHMKBBKSA-N 0 0 176.259 2.556 10 0 AFAERN CCO[P@H](=O)Cc1ccccc1 114096780 571999469 /nfs/dbraw/zinc/99/94/69/571999469.db2.gz XKPLUCXVCCINCP-UHFFFAOYSA-N 0 0 184.175 2.698 10 0 AFAERN CCOc1cc(C)ccc1NC1CC1 233772107 571999440 /nfs/dbraw/zinc/99/94/40/571999440.db2.gz GFCRMKVTMJXBQU-UHFFFAOYSA-N 0 0 191.274 2.968 10 0 AFAERN c1ccc(C[C@@H]2OCCCS2)cc1 39220387 571999608 /nfs/dbraw/zinc/99/96/08/571999608.db2.gz TVPODSJLODEURZ-LLVKDONJSA-N 0 0 194.299 2.709 10 0 AFAERN CNC1(C(F)(F)F)CC(C(C)C)C1 234349011 571999704 /nfs/dbraw/zinc/99/97/04/571999704.db2.gz CYOHKMAYCOAAAT-UHFFFAOYSA-N 0 0 195.228 2.573 10 0 AFAERN c1cc(-c2cc(C3CC3)on2)ccn1 39213777 571999820 /nfs/dbraw/zinc/99/98/20/571999820.db2.gz KEABLCLNXMRIAR-UHFFFAOYSA-N 0 0 186.214 2.614 10 0 AFAERN CC(C)(C)CC[C@@H](O)c1cc[nH]c1 300875796 571999855 /nfs/dbraw/zinc/99/98/55/571999855.db2.gz NUQAQAGUFCRUIJ-SNVBAGLBSA-N 0 0 181.279 2.874 10 0 AFAERN CC(C)(C)CC[C@H](O)c1cc[nH]c1 300875795 571999975 /nfs/dbraw/zinc/99/99/75/571999975.db2.gz NUQAQAGUFCRUIJ-JTQLQIEISA-N 0 0 181.279 2.874 10 0 AFAERN CCC/C=C\c1ccc[nH]1 167879240 572000010 /nfs/dbraw/zinc/00/00/10/572000010.db2.gz IMGLRFNWBUPBMG-XQRVVYSFSA-N 0 0 135.210 2.828 10 0 AFAERN c1ccc(C[C@H]2OCCCS2)cc1 39220388 572000162 /nfs/dbraw/zinc/00/01/62/572000162.db2.gz TVPODSJLODEURZ-NSHDSACASA-N 0 0 194.299 2.709 10 0 AFAERN CCC(F)(F)[C@H](O)CC(C)(C)C 713182920 572000443 /nfs/dbraw/zinc/00/04/43/572000443.db2.gz NPQYILDZPYUCOB-SSDOTTSWSA-N 0 0 180.238 2.829 10 0 AFAERN C[C@@H]1C[C@]1(C)[C@@H](O)CC(C)(C)C 713183474 572000503 /nfs/dbraw/zinc/00/05/03/572000503.db2.gz OZMCBPPFAFGXMV-YWVKMMECSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)C[C@H](C)CNc1cncnc1 300879512 572000819 /nfs/dbraw/zinc/00/08/19/572000819.db2.gz IRJDAZVKJAYBCP-JTQLQIEISA-N 0 0 193.294 2.571 10 0 AFAERN C[C@H]1CCC[C@@H](C)N1NCCC1CC1 214808947 572001150 /nfs/dbraw/zinc/00/11/50/572001150.db2.gz KGPGBKJMYFHQFJ-PHIMTYICSA-N 0 0 196.338 2.554 10 0 AFAERN C[C@H]1CCC[C@H](C)N1NCCC1CC1 214808994 572001527 /nfs/dbraw/zinc/00/15/27/572001527.db2.gz KGPGBKJMYFHQFJ-QWRGUYRKSA-N 0 0 196.338 2.554 10 0 AFAERN Oc1ccc(OCC2CCCC2)cc1 42011473 572001946 /nfs/dbraw/zinc/00/19/46/572001946.db2.gz KYZZAMJFFXSECJ-UHFFFAOYSA-N 0 0 192.258 2.961 10 0 AFAERN CCCC[C@@H](C)[C@@H](CC1CCC1)NN 300879012 572002295 /nfs/dbraw/zinc/00/22/95/572002295.db2.gz FUWPRMPPNZAFAD-ZYHUDNBSSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1cc(C)c2cc(C=O)n(C)c2c1 76632411 572002403 /nfs/dbraw/zinc/00/24/03/572002403.db2.gz WTXRVGDJQUBTIO-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CCC(=O)C(C)Br 687819006 572002490 /nfs/dbraw/zinc/00/24/90/572002490.db2.gz DYUXKMUUNHHKCQ-PLNGDYQASA-N 0 0 165.030 2.581 10 0 AFAERN CC1(C)CCCSC1 33950806 572002748 /nfs/dbraw/zinc/00/27/48/572002748.db2.gz VTTAITZGCXLKBP-UHFFFAOYSA-N 0 0 130.256 2.540 10 0 AFAERN C[C@@H]1CCC[C@@H](C)N1NCCC1CC1 214809043 572003057 /nfs/dbraw/zinc/00/30/57/572003057.db2.gz KGPGBKJMYFHQFJ-GHMZBOCLSA-N 0 0 196.338 2.554 10 0 AFAERN CNc1[nH+]ccn1[C@H]1CCCC[C@H]1C 234504968 572003523 /nfs/dbraw/zinc/00/35/23/572003523.db2.gz VKGQMEZTDHJPJM-ZJUUUORDSA-N 0 0 193.294 2.676 10 0 AFAERN CN(C)Cc1ccc(F)cc1Cl 14218117 572003333 /nfs/dbraw/zinc/00/33/33/572003333.db2.gz TZKKUIHXPPCHNK-UHFFFAOYSA-N 0 0 187.645 2.541 10 0 AFAERN CCCC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C 78586448 572003463 /nfs/dbraw/zinc/00/34/63/572003463.db2.gz ZIHSKVIDQZYVSE-VWYCJHECSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1ccco1 34621919 572003739 /nfs/dbraw/zinc/00/37/39/572003739.db2.gz LBAQYYXNDYMXRC-BDAKNGLRSA-N 0 0 168.236 2.749 10 0 AFAERN CCCCOCCC(=O)[C@H]1CC1(C)C 687697442 572003729 /nfs/dbraw/zinc/00/37/29/572003729.db2.gz SEPGVQCTDKZSJV-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN CCCC[C@@H](CC)COCCCO 34561604 572004007 /nfs/dbraw/zinc/00/40/07/572004007.db2.gz MLPPTWJNWIQADV-LLVKDONJSA-N 0 0 188.311 2.602 10 0 AFAERN CCOc1ccc2c(c1)c(C)cn2C 14490365 572004680 /nfs/dbraw/zinc/00/46/80/572004680.db2.gz HLIVYYZYIQTTRG-UHFFFAOYSA-N 0 0 189.258 2.885 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)c1ccoc1 300880172 572004704 /nfs/dbraw/zinc/00/47/04/572004704.db2.gz ITIFLYSKULVMCR-GXSJLCMTSA-N 0 0 182.263 2.995 10 0 AFAERN CC(C)ONCc1ccccc1Cl 393451501 572004756 /nfs/dbraw/zinc/00/47/56/572004756.db2.gz UDJDIYJYVXJBDA-UHFFFAOYSA-N 0 0 199.681 2.770 10 0 AFAERN CC(C)CC[C@H](C)Nc1ccncn1 68945175 572004800 /nfs/dbraw/zinc/00/48/00/572004800.db2.gz WLJNFJWCHALSRL-JTQLQIEISA-N 0 0 193.294 2.713 10 0 AFAERN CCCCC[C@H](O)c1cccnc1 34327954 572004802 /nfs/dbraw/zinc/00/48/02/572004802.db2.gz MTZIXSKNQYLHMS-NSHDSACASA-N 0 0 179.263 2.695 10 0 AFAERN CCC(CC)Nc1ccnn1CC 114149968 572004829 /nfs/dbraw/zinc/00/48/29/572004829.db2.gz ZMFMYMNLMCMAGB-UHFFFAOYSA-N 0 0 181.283 2.504 10 0 AFAERN O=C(COC1CCCCCC1)C1CC1 68902499 572004916 /nfs/dbraw/zinc/00/49/16/572004916.db2.gz VSYYFXJDXPVMRB-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@H]1CCCC[C@H]1OCC(=O)C1CC1 68901403 572004931 /nfs/dbraw/zinc/00/49/31/572004931.db2.gz BQADONJPRCJBNX-JOYOIKCWSA-N 0 0 196.290 2.561 10 0 AFAERN CCCOP(=O)(OC)OCCC 114125271 572004933 /nfs/dbraw/zinc/00/49/33/572004933.db2.gz KCJPXMHUFVFEGM-UHFFFAOYSA-N 0 0 196.183 2.594 10 0 AFAERN CCCC[C@H](O)COc1ccccc1 34278785 572004967 /nfs/dbraw/zinc/00/49/67/572004967.db2.gz GNEGLLQWTFDPJK-NSHDSACASA-N 0 0 194.274 2.617 10 0 AFAERN C[C@H]1CCC[C@H](OCC(=O)C2CC2)C1 68902063 572005093 /nfs/dbraw/zinc/00/50/93/572005093.db2.gz FYUBOJJMJOFWFH-ONGXEEELSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1ccco1 34621922 572005144 /nfs/dbraw/zinc/00/51/44/572005144.db2.gz LBAQYYXNDYMXRC-DTWKUNHWSA-N 0 0 168.236 2.749 10 0 AFAERN Cc1ccc(SO)cc1 34343312 572005247 /nfs/dbraw/zinc/00/52/47/572005247.db2.gz CWYKVHKSRMEAKA-UHFFFAOYSA-N 0 0 140.207 2.560 10 0 AFAERN C1CCC2(CC1)CCCCO2 34612394 572005314 /nfs/dbraw/zinc/00/53/14/572005314.db2.gz HXODBIRGIPGNQF-UHFFFAOYSA-N 0 0 154.253 2.890 10 0 AFAERN CCC(=O)[C@@H](C)c1ccc(C)cc1O 14491215 572005398 /nfs/dbraw/zinc/00/53/98/572005398.db2.gz XKKGHYTULRMGQQ-VIFPVBQESA-N 0 0 192.258 2.783 10 0 endogenous,in-man AFAERN C[C@@H]1CCCC[C@@H]1OCC(=O)C1CC1 68901387 572005408 /nfs/dbraw/zinc/00/54/08/572005408.db2.gz BQADONJPRCJBNX-SKDRFNHKSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1CCCC[C@H]1OCC(=O)C1CC1 68901399 572005430 /nfs/dbraw/zinc/00/54/30/572005430.db2.gz BQADONJPRCJBNX-BXKDBHETSA-N 0 0 196.290 2.561 10 0 AFAERN CCCCOCCC(=O)CC1CC1 687697376 572005490 /nfs/dbraw/zinc/00/54/90/572005490.db2.gz GZJWQJDFEJZESZ-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN Cc1ccnc2c(C)cc(O)cc12 14448324 572005709 /nfs/dbraw/zinc/00/57/09/572005709.db2.gz OJTRAADRYJYHPV-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN C[C@@H]1CCC[C@H](OCC(=O)C2CC2)C1 68902060 572005691 /nfs/dbraw/zinc/00/56/91/572005691.db2.gz FYUBOJJMJOFWFH-KOLCDFICSA-N 0 0 196.290 2.561 10 0 AFAERN CC(C)CC[C@@H](C)n1cn[nH]c1=S 68945234 572005737 /nfs/dbraw/zinc/00/57/37/572005737.db2.gz GVSXYKSQEWJTAZ-MRVPVSSYSA-N 0 0 199.323 2.938 10 0 AFAERN CC[C@H](C)C[C@H](O)c1ccco1 34621920 572005772 /nfs/dbraw/zinc/00/57/72/572005772.db2.gz LBAQYYXNDYMXRC-IUCAKERBSA-N 0 0 168.236 2.749 10 0 AFAERN CC(C)CC[C@H](C)n1cn[nH]c1=S 68945236 572005828 /nfs/dbraw/zinc/00/58/28/572005828.db2.gz GVSXYKSQEWJTAZ-QMMMGPOBSA-N 0 0 199.323 2.938 10 0 AFAERN CCCCOCCC(=O)[C@@H]1CC1(C)C 687697441 572005835 /nfs/dbraw/zinc/00/58/35/572005835.db2.gz SEPGVQCTDKZSJV-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN C[C@@H]1CCC[C@@H](OCC(=O)C2CC2)C1 68902068 572006270 /nfs/dbraw/zinc/00/62/70/572006270.db2.gz FYUBOJJMJOFWFH-MWLCHTKSSA-N 0 0 196.290 2.561 10 0 AFAERN O=c1cc(C2CCCC2)cc(Cl)[nH]1 219635524 572006295 /nfs/dbraw/zinc/00/62/95/572006295.db2.gz NCVBOSSZZDEFRV-UHFFFAOYSA-N 0 0 197.665 2.686 10 0 AFAERN CCOc1ccc([C@@H](O)C(C)C)cc1 34746460 572006439 /nfs/dbraw/zinc/00/64/39/572006439.db2.gz KFWKTDYBWXQAON-LBPRGKRZSA-N 0 0 194.274 2.775 10 0 AFAERN CCCCC[C@@H](O)c1ccccn1 34758724 572006783 /nfs/dbraw/zinc/00/67/83/572006783.db2.gz XRCQCYTVACPMTI-LLVKDONJSA-N 0 0 179.263 2.695 10 0 AFAERN O[C@H]1CCC[C@@H]1CCC(F)(F)Cl 402060230 572010970 /nfs/dbraw/zinc/01/09/70/572010970.db2.gz DNTPFNIDJUYJID-RQJHMYQMSA-N 0 0 198.640 2.759 10 0 AFAERN Cc1cccc(-c2ccon2)c1C 713189344 572006880 /nfs/dbraw/zinc/00/68/80/572006880.db2.gz HYVVYPMNDMVYIQ-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN O=C(CSCC1CCCC1)C1CC1 68906800 572007060 /nfs/dbraw/zinc/00/70/60/572007060.db2.gz FIEPSNFDMMJHNX-UHFFFAOYSA-N 0 0 198.331 2.889 10 0 AFAERN O=C(CSC1CCCC1)C1CC1 68906796 572007105 /nfs/dbraw/zinc/00/71/05/572007105.db2.gz GBRHDUOMDDBPNN-UHFFFAOYSA-N 0 0 184.304 2.641 10 0 AFAERN CCC[C@H](C)Oc1ncc(N)cc1C 230429048 572007309 /nfs/dbraw/zinc/00/73/09/572007309.db2.gz CQXKGHGPZJXJNI-VIFPVBQESA-N 0 0 194.278 2.540 10 0 AFAERN CC(C)C(C)(C)Cn1ccc(C=O)c1 713189699 572007393 /nfs/dbraw/zinc/00/73/93/572007393.db2.gz UVRRSIRQLZMFDL-UHFFFAOYSA-N 0 0 193.290 2.983 10 0 AFAERN CCOCCC(=O)CC1=CCCCC1 687697892 572007808 /nfs/dbraw/zinc/00/78/08/572007808.db2.gz RIJUJOASRWGHOS-UHFFFAOYSA-N 0 0 196.290 2.873 10 0 AFAERN CCC1(C(=O)c2ccc(C)nc2)CC1 687698091 572007957 /nfs/dbraw/zinc/00/79/57/572007957.db2.gz XUFFOIGOTMWJPB-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN O=C(COCC1CCCCC1)C1CC1 68905311 572008098 /nfs/dbraw/zinc/00/80/98/572008098.db2.gz KWOXEEPKJCBZIP-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN CCOc1ccc([C@H](O)C(C)C)cc1 34746459 572008314 /nfs/dbraw/zinc/00/83/14/572008314.db2.gz KFWKTDYBWXQAON-GFCCVEGCSA-N 0 0 194.274 2.775 10 0 AFAERN C[C@@H]1C[C@H](C(C)(C)Cl)C=C[C@@H]1O 207084732 572008345 /nfs/dbraw/zinc/00/83/45/572008345.db2.gz VRAPXTCUJQJINC-HLTSFMKQSA-N 0 0 188.698 2.577 10 0 AFAERN CC(C)(C)SCC(=O)c1ccco1 34981017 572008369 /nfs/dbraw/zinc/00/83/69/572008369.db2.gz FGOHMHLJNOSCJN-UHFFFAOYSA-N 0 0 198.287 2.994 10 0 AFAERN CC(C)(C)SCC(=O)c1ccc[nH]1 34981002 572008406 /nfs/dbraw/zinc/00/84/06/572008406.db2.gz CUCXNRWOKXHBHV-UHFFFAOYSA-N 0 0 197.303 2.729 10 0 AFAERN CSC(=O)c1c[nH]c2ccccc12 14517066 572008447 /nfs/dbraw/zinc/00/84/47/572008447.db2.gz KWYHUCFTWFYEMR-UHFFFAOYSA-N 0 0 191.255 2.671 10 0 AFAERN O=C(CSc1cccs1)C1CC1 68906078 572008748 /nfs/dbraw/zinc/00/87/48/572008748.db2.gz IXXWWIWFRCQDFE-UHFFFAOYSA-N 0 0 198.312 2.819 10 0 AFAERN CCC[C@H](C)Oc1ccccc1C[NH3+] 230427794 572008986 /nfs/dbraw/zinc/00/89/86/572008986.db2.gz PTLDGYKUUKAROT-JTQLQIEISA-N 0 0 193.290 2.713 10 0 AFAERN CCCC[C@H](C)C(=O)C1CCOCC1 300882122 572009019 /nfs/dbraw/zinc/00/90/19/572009019.db2.gz GGZJAGHUFOEHEK-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN CCCC[C@H](C)[C@H](CC1CCC1)NN 300878455 572009246 /nfs/dbraw/zinc/00/92/46/572009246.db2.gz FUWPRMPPNZAFAD-JQWIXIFHSA-N 0 0 198.354 2.835 10 0 AFAERN CCCC[C@H](C)C(=O)C1CC1 300881491 572009381 /nfs/dbraw/zinc/00/93/81/572009381.db2.gz GEWZAVHZVVRYON-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCCC1CCC(C(N)=O)CC1 114200038 572009389 /nfs/dbraw/zinc/00/93/89/572009389.db2.gz KFDGFDAXZKRBJW-UHFFFAOYSA-N 0 0 197.322 2.858 10 0 AFAERN CCc1cc2sc(C=O)cc2n1C 75121124 572009442 /nfs/dbraw/zinc/00/94/42/572009442.db2.gz RCRIYCMUIZQUMR-UHFFFAOYSA-N 0 0 193.271 2.615 10 0 AFAERN CCCCOc1cccc(O)c1C 34962294 572009995 /nfs/dbraw/zinc/00/99/95/572009995.db2.gz BGMQGWHUXQVYIL-UHFFFAOYSA-N 0 0 180.247 2.880 10 0 AFAERN CC/C=C/CCC[C@H](C)O 14614426 572009498 /nfs/dbraw/zinc/00/94/98/572009498.db2.gz QDFDXJMZVKJYKY-MOVJSRMASA-N 0 0 142.242 2.504 10 0 AFAERN CCC(CC)[C@@H](O)c1ccoc1 68979125 572009505 /nfs/dbraw/zinc/00/95/05/572009505.db2.gz BFWJZFXPDKYFDK-SNVBAGLBSA-N 0 0 168.236 2.749 10 0 AFAERN CCCCC[C@H](O)c1ccoc1 68979360 572009538 /nfs/dbraw/zinc/00/95/38/572009538.db2.gz VVLZGAZKBQMPHQ-JTQLQIEISA-N 0 0 168.236 2.893 10 0 AFAERN CC(C)(C)C[C@@H](O)c1ccco1 68979371 572009655 /nfs/dbraw/zinc/00/96/55/572009655.db2.gz RGGFNGWNSJVEPU-MRVPVSSYSA-N 0 0 168.236 2.749 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1ccoc1 68979338 572009682 /nfs/dbraw/zinc/00/96/82/572009682.db2.gz AOUZRUWQULXSKO-SCZZXKLOSA-N 0 0 168.236 2.749 10 0 AFAERN CC(C)CCOc1ccc(O)cc1 34962354 572009698 /nfs/dbraw/zinc/00/96/98/572009698.db2.gz VJLDTDYNROMFED-UHFFFAOYSA-N 0 0 180.247 2.817 10 0 AFAERN CC/C=C\CCCC(C)=O 14614429 572009743 /nfs/dbraw/zinc/00/97/43/572009743.db2.gz TVHAWOPAFXXIQM-PLNGDYQASA-N 0 0 140.226 2.712 10 0 AFAERN CCC(CC)[C@H](O)c1ccoc1 68979124 572009827 /nfs/dbraw/zinc/00/98/27/572009827.db2.gz BFWJZFXPDKYFDK-JTQLQIEISA-N 0 0 168.236 2.749 10 0 AFAERN CC(C)/C=C1/OC(=O)C2=CC=CC[C@@H]21 14593122 572010069 /nfs/dbraw/zinc/01/00/69/572010069.db2.gz IVZVUDRUEPCTTL-FKVCUQLRSA-N 0 0 190.242 2.586 10 0 endogenous,in-man AFAERN COc1cc(C)cc2cccc(O)c12 14592431 572010082 /nfs/dbraw/zinc/01/00/82/572010082.db2.gz UFYDOGCUGUEJMH-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1ccco1 68979355 572010117 /nfs/dbraw/zinc/01/01/17/572010117.db2.gz LBTMWDCLPQSVCI-WCBMZHEXSA-N 0 0 168.236 2.749 10 0 AFAERN CC(C)=C1CC[C@@H](C)[C@@H](O)C1 14588977 572010124 /nfs/dbraw/zinc/01/01/24/572010124.db2.gz AXPQBWLDZSZKLB-SCZZXKLOSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@@H]1CNc2cscc2N1C 75123320 572010153 /nfs/dbraw/zinc/01/01/53/572010153.db2.gz DBVVYUVMOPCCQM-VIFPVBQESA-N 0 0 196.319 2.634 10 0 AFAERN CCCC[C@@H](C)c1[nH]nc(N)c1C 300881361 572010155 /nfs/dbraw/zinc/01/01/55/572010155.db2.gz GEJJXAYBENONDI-SSDOTTSWSA-N 0 0 181.283 2.594 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1ccco1 68979353 572010191 /nfs/dbraw/zinc/01/01/91/572010191.db2.gz LBTMWDCLPQSVCI-PSASIEDQSA-N 0 0 168.236 2.749 10 0 AFAERN CCC(CC)[C@@H](O)c1ccco1 68979131 572010222 /nfs/dbraw/zinc/01/02/22/572010222.db2.gz BAAKKJQDPYNNBH-SNVBAGLBSA-N 0 0 168.236 2.749 10 0 AFAERN CO[C@H](C)[C@H](O)CCCC(C)(C)C 300881638 572010387 /nfs/dbraw/zinc/01/03/87/572010387.db2.gz OOUXJIBTGYURHI-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CCCC[C@@H](C)[C@H](CC1CCC1)NN 300878459 572010404 /nfs/dbraw/zinc/01/04/04/572010404.db2.gz FUWPRMPPNZAFAD-PWSUYJOCSA-N 0 0 198.354 2.835 10 0 AFAERN CO[C@@H](C)[C@H](O)CCCC(C)(C)C 300881640 572010438 /nfs/dbraw/zinc/01/04/38/572010438.db2.gz OOUXJIBTGYURHI-VHSXEESVSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)/C=C1/OC(=O)C2=CC=CC[C@H]21 14593123 572010478 /nfs/dbraw/zinc/01/04/78/572010478.db2.gz IVZVUDRUEPCTTL-MXFUOJGSSA-N 0 0 190.242 2.586 10 0 endogenous,in-man AFAERN CCC[C@@H](C)[C@H](O)c1ccco1 68979349 572010479 /nfs/dbraw/zinc/01/04/79/572010479.db2.gz LBTMWDCLPQSVCI-SCZZXKLOSA-N 0 0 168.236 2.749 10 0 AFAERN O[C@@H]1CCC[C@H]1CCC(F)(F)Cl 402060226 572010480 /nfs/dbraw/zinc/01/04/80/572010480.db2.gz DNTPFNIDJUYJID-NKWVEPMBSA-N 0 0 198.640 2.759 10 0 AFAERN CCOc1cccc2cccc(O)c12 14612246 572010556 /nfs/dbraw/zinc/01/05/56/572010556.db2.gz MFNICBBFAUQCRG-UHFFFAOYSA-N 0 0 188.226 2.944 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1ccoc1 68979342 572010646 /nfs/dbraw/zinc/01/06/46/572010646.db2.gz AOUZRUWQULXSKO-PSASIEDQSA-N 0 0 168.236 2.749 10 0 AFAERN CCCC[C@H](C)c1[nH]nc(N)c1C 300881364 572010653 /nfs/dbraw/zinc/01/06/53/572010653.db2.gz GEJJXAYBENONDI-ZETCQYMHSA-N 0 0 181.283 2.594 10 0 AFAERN CCOC(=O)[C@H](c1ccco1)C(C)C 68978544 572010718 /nfs/dbraw/zinc/01/07/18/572010718.db2.gz LHTMYNPXYFZMKV-JTQLQIEISA-N 0 0 196.246 2.582 10 0 AFAERN CC(C)(C)C[C@H](O)c1ccco1 68979369 572010814 /nfs/dbraw/zinc/01/08/14/572010814.db2.gz RGGFNGWNSJVEPU-QMMMGPOBSA-N 0 0 168.236 2.749 10 0 AFAERN CCC(CC)[C@H](O)c1ccco1 68979128 572010857 /nfs/dbraw/zinc/01/08/57/572010857.db2.gz BAAKKJQDPYNNBH-JTQLQIEISA-N 0 0 168.236 2.749 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1ccoc1 68979346 572010871 /nfs/dbraw/zinc/01/08/71/572010871.db2.gz AOUZRUWQULXSKO-WCBMZHEXSA-N 0 0 168.236 2.749 10 0 AFAERN CCOC(=O)[C@@H](c1ccco1)C(C)C 68978542 572010900 /nfs/dbraw/zinc/01/09/00/572010900.db2.gz LHTMYNPXYFZMKV-SNVBAGLBSA-N 0 0 196.246 2.582 10 0 AFAERN CC/C=C/CCC[C@@H](C)O 14614425 572010916 /nfs/dbraw/zinc/01/09/16/572010916.db2.gz QDFDXJMZVKJYKY-XNPJLODASA-N 0 0 142.242 2.504 10 0 AFAERN CCOC(=O)[C@H](c1ccoc1)C(C)C 68978519 572010933 /nfs/dbraw/zinc/01/09/33/572010933.db2.gz BHNAGKMOFGAVSH-JTQLQIEISA-N 0 0 196.246 2.582 10 0 AFAERN CCOC(=O)[C@@H](c1ccoc1)C(C)C 68978517 572011015 /nfs/dbraw/zinc/01/10/15/572011015.db2.gz BHNAGKMOFGAVSH-SNVBAGLBSA-N 0 0 196.246 2.582 10 0 AFAERN CC(C)=C1CC[C@H](C)[C@H](O)C1 14588980 572011031 /nfs/dbraw/zinc/01/10/31/572011031.db2.gz AXPQBWLDZSZKLB-WCBMZHEXSA-N 0 0 154.253 2.504 10 0 AFAERN c1ccc2c(-c3ncc[nH]3)nccc2c1 68959089 572011034 /nfs/dbraw/zinc/01/10/34/572011034.db2.gz KVKBSQGRHHMWRC-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CCC[C@H](C)[C@H](O)c1ccoc1 68979340 572011055 /nfs/dbraw/zinc/01/10/55/572011055.db2.gz AOUZRUWQULXSKO-WPRPVWTQSA-N 0 0 168.236 2.749 10 0 AFAERN CC(C)=C1CC[C@@H](C)[C@H](O)C1 14588979 572011062 /nfs/dbraw/zinc/01/10/62/572011062.db2.gz AXPQBWLDZSZKLB-PSASIEDQSA-N 0 0 154.253 2.504 10 0 AFAERN CCCC[C@@H](C)C(=O)C1CC1 300881488 572011122 /nfs/dbraw/zinc/01/11/22/572011122.db2.gz GEWZAVHZVVRYON-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC[C@H](C)[C@@H](CC1CCC1)NN 300878452 572011165 /nfs/dbraw/zinc/01/11/65/572011165.db2.gz FUWPRMPPNZAFAD-CMPLNLGQSA-N 0 0 198.354 2.835 10 0 AFAERN CCC[C@H](C)[C@H](O)c1ccco1 68979352 572011371 /nfs/dbraw/zinc/01/13/71/572011371.db2.gz LBTMWDCLPQSVCI-WPRPVWTQSA-N 0 0 168.236 2.749 10 0 AFAERN O[C@@H]1CCC[C@@H]1CCC(F)(F)Cl 402060229 572011405 /nfs/dbraw/zinc/01/14/05/572011405.db2.gz DNTPFNIDJUYJID-RNFRBKRXSA-N 0 0 198.640 2.759 10 0 AFAERN CCC(C)(C)C[C@@H](O)C1(C)CC1 713190690 572011426 /nfs/dbraw/zinc/01/14/26/572011426.db2.gz ZAORGFZATGFQSR-SECBINFHSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(C)(C)C[C@H](O)C1(C)CC1 713190691 572011478 /nfs/dbraw/zinc/01/14/78/572011478.db2.gz ZAORGFZATGFQSR-VIFPVBQESA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)=C1CC[C@H](C)[C@@H](O)C1 14588978 572011614 /nfs/dbraw/zinc/01/16/14/572011614.db2.gz AXPQBWLDZSZKLB-WPRPVWTQSA-N 0 0 154.253 2.504 10 0 AFAERN CCCC[C@H](CC)n1nc(C)cc1N 68987984 572011637 /nfs/dbraw/zinc/01/16/37/572011637.db2.gz CIEDROQATROXST-JTQLQIEISA-N 0 0 195.310 2.915 10 0 AFAERN O[C@H]1CCC[C@H]1CCC(F)(F)Cl 402060224 572011698 /nfs/dbraw/zinc/01/16/98/572011698.db2.gz DNTPFNIDJUYJID-BQBZGAKWSA-N 0 0 198.640 2.759 10 0 AFAERN CCC(CC)n1nccc1C 42355232 572012088 /nfs/dbraw/zinc/01/20/88/572012088.db2.gz HHMHKDQRJWTKNG-UHFFFAOYSA-N 0 0 152.241 2.553 10 0 AFAERN CCCC[C@H](CC)Nc1cn[nH]c1 68986212 572012069 /nfs/dbraw/zinc/01/20/69/572012069.db2.gz MQEHHFSUKWJCBY-VIFPVBQESA-N 0 0 181.283 2.790 10 0 AFAERN CCCC[C@](N)(CC)C(F)(F)F 68989621 572012336 /nfs/dbraw/zinc/01/23/36/572012336.db2.gz LXMWSKBXMHEDQN-SSDOTTSWSA-N 0 0 183.217 2.846 10 0 AFAERN CCCC[C@@H](CC)n1ncc(C)c1N 68987975 572013421 /nfs/dbraw/zinc/01/34/21/572013421.db2.gz BKZCJZSYHGYUFN-SNVBAGLBSA-N 0 0 195.310 2.915 10 0 AFAERN CCCC[C@H](C)c1cc(N)on1 300883380 572013428 /nfs/dbraw/zinc/01/34/28/572013428.db2.gz GKUHOHIZKWNQOU-ZETCQYMHSA-N 0 0 168.240 2.551 10 0 AFAERN Cc1ccnn1C1CCCCC1 42355226 572013479 /nfs/dbraw/zinc/01/34/79/572013479.db2.gz DHDGQWZCLGPROW-UHFFFAOYSA-N 0 0 164.252 2.697 10 0 AFAERN C[C@H](Nc1ccccn1)c1ccncc1 35122261 572013531 /nfs/dbraw/zinc/01/35/31/572013531.db2.gz UGAACOUVQGNFLE-JTQLQIEISA-N 0 0 199.257 2.650 10 0 AFAERN C[C@@H]1CCC[C@@H]1[C@H](O)CCC1CC1 300232496 572013552 /nfs/dbraw/zinc/01/35/52/572013552.db2.gz HFWBGMZMKIPHBS-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1CCCc2cccc(N)c21 78630373 572013801 /nfs/dbraw/zinc/01/38/01/572013801.db2.gz QZEOKAHJQQNXJE-MRVPVSSYSA-N 0 0 161.248 2.709 10 0 AFAERN CCCC[C@@H](CC)n1nc(C)cc1N 68987982 572013829 /nfs/dbraw/zinc/01/38/29/572013829.db2.gz CIEDROQATROXST-SNVBAGLBSA-N 0 0 195.310 2.915 10 0 AFAERN CCCC[C@](O)(CC)C(F)(F)F 68989383 572013833 /nfs/dbraw/zinc/01/38/33/572013833.db2.gz LULJKHJIJIEWTM-SSDOTTSWSA-N 0 0 184.201 2.880 10 0 AFAERN CCCC[C@@H](CC)Nc1cn[nH]c1 68986211 572013893 /nfs/dbraw/zinc/01/38/93/572013893.db2.gz MQEHHFSUKWJCBY-SECBINFHSA-N 0 0 181.283 2.790 10 0 AFAERN CCCC[C@H](CC)n1ncc(C)c1N 68987979 572014012 /nfs/dbraw/zinc/01/40/12/572014012.db2.gz BKZCJZSYHGYUFN-JTQLQIEISA-N 0 0 195.310 2.915 10 0 AFAERN CCCC[C@H](CC)n1nccc1N 68987972 572014035 /nfs/dbraw/zinc/01/40/35/572014035.db2.gz KFPOXJFOFZPNBF-VIFPVBQESA-N 0 0 181.283 2.607 10 0 AFAERN CCCc1n[nH]c(CCC(C)(C)C)n1 300883994 572014700 /nfs/dbraw/zinc/01/47/00/572014700.db2.gz OWIUGYQTFPHPQH-UHFFFAOYSA-N 0 0 195.310 2.736 10 0 AFAERN CC[C@H](C)SCC(=O)c1ccc[nH]1 35182602 572014952 /nfs/dbraw/zinc/01/49/52/572014952.db2.gz UXWXFAXFSRFEAZ-QMMMGPOBSA-N 0 0 197.303 2.729 10 0 AFAERN CC[C@H](C)C[C@H](NN)[C@H]1CCC[C@H]1C 300236258 572014757 /nfs/dbraw/zinc/01/47/57/572014757.db2.gz ULLFAKWHIHVNQK-USZNOCQGSA-N 0 0 198.354 2.691 10 0 AFAERN CCCC[C@H](C)C(=O)COCCC 300885824 572015091 /nfs/dbraw/zinc/01/50/91/572015091.db2.gz GTFNOXRSIJVHGN-JTQLQIEISA-N 0 0 186.295 2.808 10 0 AFAERN CCc1cccc(O[C@H](C)C(C)=O)c1 35181657 572015752 /nfs/dbraw/zinc/01/57/52/572015752.db2.gz RWOMCNGQHJVEFQ-SNVBAGLBSA-N 0 0 192.258 2.605 10 0 AFAERN CCc1ccc(O[C@@H](C)C(C)=O)cc1 35182904 572015522 /nfs/dbraw/zinc/01/55/22/572015522.db2.gz DXAUQNMASZNPAD-JTQLQIEISA-N 0 0 192.258 2.605 10 0 AFAERN CCc1ccc(O[C@H](C)C(C)=O)cc1 35182905 572015640 /nfs/dbraw/zinc/01/56/40/572015640.db2.gz DXAUQNMASZNPAD-SNVBAGLBSA-N 0 0 192.258 2.605 10 0 AFAERN CC[C@H](C)C[C@H](NN)[C@H]1CCC[C@@H]1C 300236256 572015691 /nfs/dbraw/zinc/01/56/91/572015691.db2.gz ULLFAKWHIHVNQK-BJDJZHNGSA-N 0 0 198.354 2.691 10 0 AFAERN CCCOC(=O)C1(C)CCCC1 82025197 572015757 /nfs/dbraw/zinc/01/57/57/572015757.db2.gz FLYNAMRKQZVGDR-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN Cc1cnc(-c2cccc(C)c2N)o1 42413494 572015995 /nfs/dbraw/zinc/01/59/95/572015995.db2.gz LIZGRZUSDKPNLH-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC[C@@H](C)SCC(=O)c1ccco1 35182671 572016005 /nfs/dbraw/zinc/01/60/05/572016005.db2.gz STSHOOXYPNSZTL-MRVPVSSYSA-N 0 0 198.287 2.994 10 0 AFAERN CC(C)CCCCC[C@H](C)O 82151921 572016160 /nfs/dbraw/zinc/01/61/60/572016160.db2.gz ZVZKLBCGIYWGOU-JTQLQIEISA-N 0 0 158.285 2.974 10 0 AFAERN CCCCCCNN1CCCCC1 82104079 572016191 /nfs/dbraw/zinc/01/61/91/572016191.db2.gz SFWYYDNLGQKSHF-UHFFFAOYSA-N 0 0 184.327 2.557 10 0 AFAERN CCCCCc1ccc(NC=O)cc1 82054951 572016234 /nfs/dbraw/zinc/01/62/34/572016234.db2.gz QEPYDKCAIWNRQK-UHFFFAOYSA-N 0 0 191.274 2.988 10 0 AFAERN CC[C@H](C)[C@H](NN)[C@H]1CCCC1(C)C 300236274 572016257 /nfs/dbraw/zinc/01/62/57/572016257.db2.gz UPBOVPLFIBIWCI-AXFHLTTASA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@H](C)SCC(=O)c1ccco1 35182672 572016265 /nfs/dbraw/zinc/01/62/65/572016265.db2.gz STSHOOXYPNSZTL-QMMMGPOBSA-N 0 0 198.287 2.994 10 0 AFAERN O[C@H](CC(F)(F)F)C1CCCCC1 42413156 572016337 /nfs/dbraw/zinc/01/63/37/572016337.db2.gz SQYYREGIJAYUSV-MRVPVSSYSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@H](C)C[C@H](NN)[C@@H]1CCC[C@H]1C 300236257 572016726 /nfs/dbraw/zinc/01/67/26/572016726.db2.gz ULLFAKWHIHVNQK-QCNOEVLYSA-N 0 0 198.354 2.691 10 0 AFAERN CCCC[C@@H](C)C(=O)COCCC 300885825 572016850 /nfs/dbraw/zinc/01/68/50/572016850.db2.gz GTFNOXRSIJVHGN-SNVBAGLBSA-N 0 0 186.295 2.808 10 0 AFAERN O[C@@H](c1cncc2ccccc12)C1CC1 68949102 572017025 /nfs/dbraw/zinc/01/70/25/572017025.db2.gz BRVFBQQBSVNFJR-CYBMUJFWSA-N 0 0 199.253 2.678 10 0 AFAERN O[C@H](c1cncc2ccccc12)C1CC1 68949104 572017087 /nfs/dbraw/zinc/01/70/87/572017087.db2.gz BRVFBQQBSVNFJR-ZDUSSCGKSA-N 0 0 199.253 2.678 10 0 AFAERN CCOC(=O)N(C)c1ccc(C)cc1 82367224 572018086 /nfs/dbraw/zinc/01/80/86/572018086.db2.gz ZPJIARFYUJLZKK-UHFFFAOYSA-N 0 0 193.246 2.588 10 0 AFAERN COCCC(=O)C(C(C)C)C(C)C 687699262 572017984 /nfs/dbraw/zinc/01/79/84/572017984.db2.gz NNCBNGLBZFEPMY-UHFFFAOYSA-N 0 0 186.295 2.520 10 0 AFAERN C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)C(F)F 300239488 572018010 /nfs/dbraw/zinc/01/80/10/572018010.db2.gz AFRWRSKSUKQIED-IWSPIJDZSA-N 0 0 191.265 2.666 10 0 AFAERN CCOC(=O)N1CCC(C)(CC)CC1 82367214 572018233 /nfs/dbraw/zinc/01/82/33/572018233.db2.gz IXZGWHBDJLCJQL-UHFFFAOYSA-N 0 0 199.294 2.655 10 0 AFAERN C[C@H]1CC(=O)CC(C)(C)[C@@H]1C 14764671 572018279 /nfs/dbraw/zinc/01/82/79/572018279.db2.gz RIAQBNSPOHNARJ-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)c1ccc[nH]1 300886544 572018280 /nfs/dbraw/zinc/01/82/80/572018280.db2.gz GVYUVPYSADPWQT-MWLCHTKSSA-N 0 0 181.279 2.874 10 0 AFAERN CNc1cccc(Cc2cccnc2)c1 234516375 572018284 /nfs/dbraw/zinc/01/82/84/572018284.db2.gz OTKAOEHMAKFCQU-UHFFFAOYSA-N 0 0 198.269 2.714 10 0 AFAERN CCCC[C@H](C)[C@H](O)c1ccc[nH]1 300886547 572018302 /nfs/dbraw/zinc/01/83/02/572018302.db2.gz GVYUVPYSADPWQT-ONGXEEELSA-N 0 0 181.279 2.874 10 0 AFAERN C[C@H]1CC(=O)CC(C)(C)[C@H]1C 14764675 572018686 /nfs/dbraw/zinc/01/86/86/572018686.db2.gz RIAQBNSPOHNARJ-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1occc1C(=O)CCOC(C)C 687698952 572018969 /nfs/dbraw/zinc/01/89/69/572018969.db2.gz ZNFZFJRUVUHCIW-UHFFFAOYSA-N 0 0 196.246 2.586 10 0 AFAERN CC[C@@H](C)SCCCC(C)=O 35229258 572019016 /nfs/dbraw/zinc/01/90/16/572019016.db2.gz WWUITKOBYKXAQO-SECBINFHSA-N 0 0 174.309 2.887 10 0 AFAERN CCCCC[C@H](NN)[C@H]1CCC[C@H]1C 300233755 572019071 /nfs/dbraw/zinc/01/90/71/572019071.db2.gz LSAFSEWAZRZXON-WOPDTQHZSA-N 0 0 198.354 2.835 10 0 AFAERN CCC(C)(C)N(C)c1ccc(C=O)o1 68999551 572019080 /nfs/dbraw/zinc/01/90/80/572019080.db2.gz HLCGUMZVEYXHPN-UHFFFAOYSA-N 0 0 195.262 2.717 10 0 AFAERN CCC(CC)[C@H](NN)[C@H]1CCC[C@H]1C 300237598 572019346 /nfs/dbraw/zinc/01/93/46/572019346.db2.gz ZEXHTJLZZHPKPJ-USWWRNFRSA-N 0 0 198.354 2.691 10 0 AFAERN O=C(CC1=CCCCC1)C(F)F 687699001 572019587 /nfs/dbraw/zinc/01/95/87/572019587.db2.gz GXASVUYJGPKCJX-UHFFFAOYSA-N 0 0 174.190 2.711 10 0 AFAERN CCCC[C@H](C)[C@@H](O)c1ccc[nH]1 300886539 572019608 /nfs/dbraw/zinc/01/96/08/572019608.db2.gz GVYUVPYSADPWQT-GXSJLCMTSA-N 0 0 181.279 2.874 10 0 AFAERN Cc1cccc(C(=O)C(F)F)c1F 687699110 572019721 /nfs/dbraw/zinc/01/97/21/572019721.db2.gz DJVKXARMRPMENK-UHFFFAOYSA-N 0 0 188.148 2.582 10 0 AFAERN CCCCC[C@H](NN)[C@@H]1CCC[C@H]1C 300233754 572019751 /nfs/dbraw/zinc/01/97/51/572019751.db2.gz LSAFSEWAZRZXON-UTUOFQBUSA-N 0 0 198.354 2.835 10 0 AFAERN CCCCOc1cccc(N)c1C 35282949 572019815 /nfs/dbraw/zinc/01/98/15/572019815.db2.gz VWYVOVXGAIZTOP-UHFFFAOYSA-N 0 0 179.263 2.756 10 0 AFAERN C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1C)C(F)F 300239485 572019857 /nfs/dbraw/zinc/01/98/57/572019857.db2.gz AFRWRSKSUKQIED-HLTSFMKQSA-N 0 0 191.265 2.666 10 0 AFAERN Cc1ccoc1C(=O)CCOC(C)C 687698905 572019875 /nfs/dbraw/zinc/01/98/75/572019875.db2.gz AKMHLJXNIVKUAV-UHFFFAOYSA-N 0 0 196.246 2.586 10 0 AFAERN CCCC[C@@H](C)[C@H](O)c1ccc[nH]1 300886542 572020062 /nfs/dbraw/zinc/02/00/62/572020062.db2.gz GVYUVPYSADPWQT-KOLCDFICSA-N 0 0 181.279 2.874 10 0 AFAERN CC(C)C1(C(=O)N(C)C)CCCCC1 33506982 572020078 /nfs/dbraw/zinc/02/00/78/572020078.db2.gz JXBUDYOESYSPGK-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC1=CCC(C)(C)[C@@H](O)CC1 14822338 572020294 /nfs/dbraw/zinc/02/02/94/572020294.db2.gz VKAFINVFYIQQEY-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN CCCC[C@H](C)[C@@H](CC(C)C)NN 300889906 572022023 /nfs/dbraw/zinc/02/20/23/572022023.db2.gz HJXGAGVBVCDNFE-WDEREUQCSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1cc2sc(C)c(C)n2c1C=O 75395366 572022046 /nfs/dbraw/zinc/02/20/46/572022046.db2.gz ZEZUJJAEZOXEIR-UHFFFAOYSA-N 0 0 193.271 2.739 10 0 AFAERN CCCCOCc1cc(F)ccc1N 35308887 572022158 /nfs/dbraw/zinc/02/21/58/572022158.db2.gz ORJQCMLIRWAXSO-UHFFFAOYSA-N 0 0 197.253 2.725 10 0 AFAERN Cc1cc(C(=O)[C@H]2CCSC2)co1 687699236 572022197 /nfs/dbraw/zinc/02/21/97/572022197.db2.gz DQXWEWJVNPVWRK-QMMMGPOBSA-N 0 0 196.271 2.524 10 0 AFAERN CCCCNc1cccc(OCC)n1 82458148 572022810 /nfs/dbraw/zinc/02/28/10/572022810.db2.gz NMKOVPDWXYMPAM-UHFFFAOYSA-N 0 0 194.278 2.692 10 0 AFAERN CCC[C@@H](C)Nc1cccc(OC)n1 82458138 572022818 /nfs/dbraw/zinc/02/28/18/572022818.db2.gz GGIBECFRJLTUPG-SECBINFHSA-N 0 0 194.278 2.691 10 0 AFAERN CCc1cc2sc(C(C)=O)cc2[nH]1 75395225 572022912 /nfs/dbraw/zinc/02/29/12/572022912.db2.gz NBBVYPXEANYDJU-UHFFFAOYSA-N 0 0 193.271 2.994 10 0 AFAERN Cc1cccc(-c2ccncc2C=O)c1 82385212 572022996 /nfs/dbraw/zinc/02/29/96/572022996.db2.gz VIZUZMVNSNEJJO-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCOc1cccc(N[C@H](C)CC)n1 82458119 572023062 /nfs/dbraw/zinc/02/30/62/572023062.db2.gz JKOOYTUBVULNKE-SECBINFHSA-N 0 0 194.278 2.691 10 0 AFAERN CCC[C@@H](C)n1cccc1C=O 35431287 572023355 /nfs/dbraw/zinc/02/33/55/572023355.db2.gz ASQHVNJHHSQFLT-SECBINFHSA-N 0 0 165.236 2.662 10 0 AFAERN CCO[C@@](C)(C(C)=O)C1CCCCC1 687774521 572023269 /nfs/dbraw/zinc/02/32/69/572023269.db2.gz MLKNRDWMKAHHQF-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)C[C@H](C)n1cccc1C=O 35431223 572023618 /nfs/dbraw/zinc/02/36/18/572023618.db2.gz IVVKSAJLGNZBQD-JTQLQIEISA-N 0 0 179.263 2.908 10 0 AFAERN CCOc1cccc(N[C@@H](C)CC)n1 82458120 572023651 /nfs/dbraw/zinc/02/36/51/572023651.db2.gz JKOOYTUBVULNKE-VIFPVBQESA-N 0 0 194.278 2.691 10 0 AFAERN CC(C)(C)CCc1nncn1C1CC1 300889193 572023903 /nfs/dbraw/zinc/02/39/03/572023903.db2.gz PLBDZWNYFAHJEN-UHFFFAOYSA-N 0 0 193.294 2.592 10 0 AFAERN CCCCCNc1cccc(OC)n1 82458149 572024063 /nfs/dbraw/zinc/02/40/63/572024063.db2.gz DCKBMJLFPDLLNH-UHFFFAOYSA-N 0 0 194.278 2.692 10 0 AFAERN O=Cc1ccc(NC2CCCCC2)[nH]1 75492186 572024388 /nfs/dbraw/zinc/02/43/88/572024388.db2.gz UAAGATSEBNRADN-UHFFFAOYSA-N 0 0 192.262 2.572 10 0 AFAERN C[NH2+][C@H](CC(C)C)c1cccc(C)n1 82458945 572024636 /nfs/dbraw/zinc/02/46/36/572024636.db2.gz JJPHXCKAEBFQSN-GFCCVEGCSA-N 0 0 192.306 2.697 10 0 AFAERN CCCC(=O)[C@@]1(OCC)CCC1(C)C 687775569 572024637 /nfs/dbraw/zinc/02/46/37/572024637.db2.gz JMMWBYLBHYTMFC-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCC[C@H](C)Nc1cccc(OC)n1 82458139 572024664 /nfs/dbraw/zinc/02/46/64/572024664.db2.gz GGIBECFRJLTUPG-VIFPVBQESA-N 0 0 194.278 2.691 10 0 AFAERN CCC(=O)[C@@]1(OC)CCC[C@@H](C)CC1 687775203 572024680 /nfs/dbraw/zinc/02/46/80/572024680.db2.gz XUCZAVLCUCHFJN-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](N)C(F)(F)F 300892656 572024688 /nfs/dbraw/zinc/02/46/88/572024688.db2.gz KAUJTFILNDTWIU-JGVFFNPUSA-N 0 0 197.244 2.948 10 0 AFAERN CSc1c(C=O)c[nH]c1CC(C)C 75483946 572024763 /nfs/dbraw/zinc/02/47/63/572024763.db2.gz DSXWXFAGKHHZKH-UHFFFAOYSA-N 0 0 197.303 2.748 10 0 AFAERN C[C@@H](CC(C)(C)C)[C@@H](C)CO 33608500 572024788 /nfs/dbraw/zinc/02/47/88/572024788.db2.gz BCTJQQUHPWYVBQ-IUCAKERBSA-N 0 0 158.285 2.687 10 0 AFAERN CCn1nccc1C(=O)CCC(C)C 69024201 572024828 /nfs/dbraw/zinc/02/48/28/572024828.db2.gz GLSPCTZFPAQPBX-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN C[C@H](CO)[C@@H](C)CC(C)(C)C 33608501 572024864 /nfs/dbraw/zinc/02/48/64/572024864.db2.gz BCTJQQUHPWYVBQ-DTWKUNHWSA-N 0 0 158.285 2.687 10 0 AFAERN CCCn1nccc1C(=O)[C@@H](C)CC 69024378 572024899 /nfs/dbraw/zinc/02/48/99/572024899.db2.gz CFWSDVQLYHDZON-VIFPVBQESA-N 0 0 194.278 2.522 10 0 AFAERN CC(C)C[C@@H](C)C[C@@H](N)C(F)(F)F 300892654 572024920 /nfs/dbraw/zinc/02/49/20/572024920.db2.gz KAUJTFILNDTWIU-HTQZYQBOSA-N 0 0 197.244 2.948 10 0 AFAERN O[C@H](C[C@@H]1CC=CCC1)C1CC1 402147726 572024946 /nfs/dbraw/zinc/02/49/46/572024946.db2.gz MUXCTVCTHINFHF-MWLCHTKSSA-N 0 0 166.264 2.504 10 0 AFAERN CC(C)C[C@H](C)C[C@H](O)C(F)(F)F 300893611 572024974 /nfs/dbraw/zinc/02/49/74/572024974.db2.gz KDYDFKQOYSLMES-YUMQZZPRSA-N 0 0 198.228 2.982 10 0 AFAERN Cc1cc2c(cc1O)C(C)(C)CC2 33605273 572025028 /nfs/dbraw/zinc/02/50/28/572025028.db2.gz WAOVQCLZCDCKAM-UHFFFAOYSA-N 0 0 176.259 2.924 10 0 AFAERN Cc1cc(O)cc2c1CCC2(C)C 33605276 572025139 /nfs/dbraw/zinc/02/51/39/572025139.db2.gz QCHYMSYGCBJIQS-UHFFFAOYSA-N 0 0 176.259 2.924 10 0 AFAERN CO[C@@]1(C(C)=O)CCC(C)(C)C[C@H]1C 687775094 572025165 /nfs/dbraw/zinc/02/51/65/572025165.db2.gz MWPGLAQARCPLHK-SKDRFNHKSA-N 0 0 198.306 2.807 10 0 AFAERN CO[C@]1(C(C)=O)CCCCC1(C)C 687775150 572025171 /nfs/dbraw/zinc/02/51/71/572025171.db2.gz RHPMQGYPIMSWLJ-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCCn1nccc1C(=O)C(C)(C)C 69024132 572025319 /nfs/dbraw/zinc/02/53/19/572025319.db2.gz IDMBUVWKTWCBTB-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN Cc1ccc(-c2ccncc2N)c(C)c1 82384369 572025218 /nfs/dbraw/zinc/02/52/18/572025218.db2.gz ZOSGQHJTOJUMEM-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN c1ccc([C@H]2CCCS2)nc1 33606664 572025231 /nfs/dbraw/zinc/02/52/31/572025231.db2.gz MCXIBJPBLIURRN-SECBINFHSA-N 0 0 165.261 2.650 10 0 AFAERN CCCC[C@H](O)c1ccnn1CCC 69023588 572025236 /nfs/dbraw/zinc/02/52/36/572025236.db2.gz XXQFTRJWKJKLBM-NSHDSACASA-N 0 0 196.294 2.517 10 0 AFAERN Cc1c(O)ccc2c1C(C)(C)CC2 33605274 572025316 /nfs/dbraw/zinc/02/53/16/572025316.db2.gz JZJZRJRTZPKWJD-UHFFFAOYSA-N 0 0 176.259 2.924 10 0 AFAERN CCc1cc(NCCOC)ccc1C 300892120 572025354 /nfs/dbraw/zinc/02/53/54/572025354.db2.gz OQJKCRHUFASIOX-UHFFFAOYSA-N 0 0 193.290 2.616 10 0 AFAERN CCCO[C@](C)(C(C)=O)[C@H](C)CC 687775595 572026111 /nfs/dbraw/zinc/02/61/11/572026111.db2.gz RFIYGPCKSNSIAH-KOLCDFICSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](O)C(F)(F)F 300893609 572025370 /nfs/dbraw/zinc/02/53/70/572025370.db2.gz KDYDFKQOYSLMES-SFYZADRCSA-N 0 0 198.228 2.982 10 0 AFAERN CCO[C@]1(C(C)=O)C[C@@H](C)CC[C@H]1C 687775161 572026115 /nfs/dbraw/zinc/02/61/15/572026115.db2.gz SIXCRLCFBCKKMT-HOSYDEDBSA-N 0 0 198.306 2.807 10 0 AFAERN CCOC(=O)c1cc(CC)c(C)s1 82390097 572025517 /nfs/dbraw/zinc/02/55/17/572025517.db2.gz JPUDYJGKLMWTES-UHFFFAOYSA-N 0 0 198.287 2.796 10 0 AFAERN C[C@H](CO)[C@H](C)CC(C)(C)C 33608505 572025532 /nfs/dbraw/zinc/02/55/32/572025532.db2.gz BCTJQQUHPWYVBQ-RKDXNWHRSA-N 0 0 158.285 2.687 10 0 AFAERN CCCC(=O)[C@]1(OCC)CCC1(C)C 687775568 572025595 /nfs/dbraw/zinc/02/55/95/572025595.db2.gz JMMWBYLBHYTMFC-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCO[C@]1(C(C)=O)C[C@H](C)CC[C@H]1C 687775159 572025599 /nfs/dbraw/zinc/02/55/99/572025599.db2.gz SIXCRLCFBCKKMT-CKYFFXLPSA-N 0 0 198.306 2.807 10 0 AFAERN CCc1nsc2scc(N)c12 75519931 572025676 /nfs/dbraw/zinc/02/56/76/572025676.db2.gz SRKSCIROOCQGMW-UHFFFAOYSA-N 0 0 184.289 2.502 10 0 AFAERN CCn1nccc1C(=O)CC(C)(C)C 69024392 572025681 /nfs/dbraw/zinc/02/56/81/572025681.db2.gz CAKJIKZKDOFOSZ-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CO[C@@]1(C(C)=O)CCCCC1(C)C 687775149 572025684 /nfs/dbraw/zinc/02/56/84/572025684.db2.gz RHPMQGYPIMSWLJ-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCC[C@H](O)c1ccnn1CC 69023699 572025699 /nfs/dbraw/zinc/02/56/99/572025699.db2.gz FUAACLTXHXMMCJ-NSHDSACASA-N 0 0 196.294 2.517 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](O)C(F)(F)F 300893606 572025741 /nfs/dbraw/zinc/02/57/41/572025741.db2.gz KDYDFKQOYSLMES-JGVFFNPUSA-N 0 0 198.228 2.982 10 0 AFAERN CCCn1nccc1C(=O)CC(C)C 69024034 572025750 /nfs/dbraw/zinc/02/57/50/572025750.db2.gz AKXRCCJALLKXAW-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CCC(=O)[C@@]1(OC)CCC[C@H](C)CC1 687775200 572025758 /nfs/dbraw/zinc/02/57/58/572025758.db2.gz XUCZAVLCUCHFJN-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CCCO[C@@](C)(C(C)=O)[C@H](C)CC 687775596 572025768 /nfs/dbraw/zinc/02/57/68/572025768.db2.gz RFIYGPCKSNSIAH-MWLCHTKSSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](N)C(F)(F)F 300892658 572025775 /nfs/dbraw/zinc/02/57/75/572025775.db2.gz KAUJTFILNDTWIU-SFYZADRCSA-N 0 0 197.244 2.948 10 0 AFAERN CCCO[C@](C)(C(C)=O)[C@@H](C)CC 687775597 572025776 /nfs/dbraw/zinc/02/57/76/572025776.db2.gz RFIYGPCKSNSIAH-ONGXEEELSA-N 0 0 186.295 2.807 10 0 AFAERN CCCO[C@@](C)(C(C)=O)[C@@H](C)CC 687775594 572025787 /nfs/dbraw/zinc/02/57/87/572025787.db2.gz RFIYGPCKSNSIAH-GXSJLCMTSA-N 0 0 186.295 2.807 10 0 AFAERN c1coc(CNc2cccs2)c1 75490970 572025846 /nfs/dbraw/zinc/02/58/46/572025846.db2.gz ABYGCMVKIGJPSP-UHFFFAOYSA-N 0 0 179.244 2.953 10 0 AFAERN CCCn1nccc1C(=O)[C@H](C)CC 69024383 572025851 /nfs/dbraw/zinc/02/58/51/572025851.db2.gz CFWSDVQLYHDZON-SECBINFHSA-N 0 0 194.278 2.522 10 0 AFAERN CO[C@@]1(C(C)=O)CCCC(C)(C)CC1 687775193 572025868 /nfs/dbraw/zinc/02/58/68/572025868.db2.gz XDCWGIALJPDPHJ-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CO[C@@]1(C(C)=O)CCC(C)(C)C[C@@H]1C 687775086 572025907 /nfs/dbraw/zinc/02/59/07/572025907.db2.gz MWPGLAQARCPLHK-CABZTGNLSA-N 0 0 198.306 2.807 10 0 AFAERN CO[C@]1(C(C)=O)CCC(C)(C)C[C@H]1C 687775084 572025929 /nfs/dbraw/zinc/02/59/29/572025929.db2.gz MWPGLAQARCPLHK-BXKDBHETSA-N 0 0 198.306 2.807 10 0 AFAERN CCC[C@H](C)n1cccc1C=O 35431289 572025991 /nfs/dbraw/zinc/02/59/91/572025991.db2.gz ASQHVNJHHSQFLT-VIFPVBQESA-N 0 0 165.236 2.662 10 0 AFAERN CCCC[C@@H](O)c1ccnn1CCC 69023590 572026038 /nfs/dbraw/zinc/02/60/38/572026038.db2.gz XXQFTRJWKJKLBM-LLVKDONJSA-N 0 0 196.294 2.517 10 0 AFAERN CCO[C@H](C(C)=O)C1CCC(C)CC1 687775205 572026046 /nfs/dbraw/zinc/02/60/46/572026046.db2.gz YUWYJIZBWMROSM-QEWOUOOISA-N 0 0 198.306 2.807 10 0 AFAERN S=c1[nH]cc(Cc2ccccc2)[nH]1 33610663 572026132 /nfs/dbraw/zinc/02/61/32/572026132.db2.gz RTDFNIFOTIEEMU-UHFFFAOYSA-N 0 0 190.271 2.663 10 0 AFAERN CCC(=O)[C@]1(OC)CCC[C@@H](C)CC1 687775202 572026255 /nfs/dbraw/zinc/02/62/55/572026255.db2.gz XUCZAVLCUCHFJN-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)C[C@@H](C)C[C@@H](O)C(F)(F)F 300893603 572026277 /nfs/dbraw/zinc/02/62/77/572026277.db2.gz KDYDFKQOYSLMES-HTQZYQBOSA-N 0 0 198.228 2.982 10 0 AFAERN CCO[C@@H](C(C)=O)C1CCC(C)CC1 687775204 572026294 /nfs/dbraw/zinc/02/62/94/572026294.db2.gz YUWYJIZBWMROSM-NHNAUAITSA-N 0 0 198.306 2.807 10 0 AFAERN CO[C@]1(C(C)=O)CCC(C)(C)C[C@@H]1C 687775090 572026307 /nfs/dbraw/zinc/02/63/07/572026307.db2.gz MWPGLAQARCPLHK-JOYOIKCWSA-N 0 0 198.306 2.807 10 0 AFAERN CO[C@]1(C(C)=O)CCCC(C)(C)CC1 687775192 572026377 /nfs/dbraw/zinc/02/63/77/572026377.db2.gz XDCWGIALJPDPHJ-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCCCc1cnc(NC)nc1 82442138 572026522 /nfs/dbraw/zinc/02/65/22/572026522.db2.gz QMQROGXYZWFCTF-UHFFFAOYSA-N 0 0 193.294 2.641 10 0 AFAERN CC(C)CCCC(=O)C1CC1 82430855 572026575 /nfs/dbraw/zinc/02/65/75/572026575.db2.gz FIJLFXNXRZOFIZ-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)[C@H](C)Cc1ccsc1 82442523 572026801 /nfs/dbraw/zinc/02/68/01/572026801.db2.gz DXRUAFZMUONNGI-MRVPVSSYSA-N 0 0 182.288 2.906 10 0 AFAERN Cc1c(C)n(C)c2cccc(O)c12 33641790 572027805 /nfs/dbraw/zinc/02/78/05/572027805.db2.gz JFHDKIKXJSRNTQ-UHFFFAOYSA-N 0 0 175.231 2.501 10 0 AFAERN CCCOc1ccccc1[C@H](O)CC 35625915 572027182 /nfs/dbraw/zinc/02/71/82/572027182.db2.gz NOZLODGPRLAGMI-LLVKDONJSA-N 0 0 194.274 2.919 10 0 AFAERN O=C(CCc1cccs1)C1CC1 82430867 572027277 /nfs/dbraw/zinc/02/72/77/572027277.db2.gz LBPURURGWDSNQM-UHFFFAOYSA-N 0 0 180.272 2.660 10 0 AFAERN CCCCOCC[C@H](C)C(=O)CC 82442401 572027394 /nfs/dbraw/zinc/02/73/94/572027394.db2.gz IOSVATCZQZPQBZ-JTQLQIEISA-N 0 0 186.295 2.808 10 0 AFAERN CC(C)CCC[C@H](O)C1CC1 82431252 572027419 /nfs/dbraw/zinc/02/74/19/572027419.db2.gz YQLROYGZCUQATA-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)CCC[C@@H](O)C1CC1 82431254 572027511 /nfs/dbraw/zinc/02/75/11/572027511.db2.gz YQLROYGZCUQATA-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN Nc1scc(C=O)c1C1CCCC1 75526233 572027784 /nfs/dbraw/zinc/02/77/84/572027784.db2.gz CKAIVAKRXJDGGS-UHFFFAOYSA-N 0 0 195.287 2.800 10 0 AFAERN CCc1c(N)ccc2ccccc12 33639623 572027971 /nfs/dbraw/zinc/02/79/71/572027971.db2.gz WNIRCKLZJKRSHE-UHFFFAOYSA-N 0 0 171.243 2.984 10 0 AFAERN CCCCOCC[C@@H](C)C(=O)CC 82442400 572028017 /nfs/dbraw/zinc/02/80/17/572028017.db2.gz IOSVATCZQZPQBZ-SNVBAGLBSA-N 0 0 186.295 2.808 10 0 AFAERN CCCCn1[nH]c(=O)c2ccccc21 33641743 572028041 /nfs/dbraw/zinc/02/80/41/572028041.db2.gz BXHOZCPNWNNOLA-UHFFFAOYSA-N 0 0 190.246 2.542 10 0 AFAERN CCC(=O)[C@@H](C)Cc1cccc(F)c1 82442492 572028062 /nfs/dbraw/zinc/02/80/62/572028062.db2.gz URNQJSJFXOTPOW-VIFPVBQESA-N 0 0 194.249 2.983 10 0 AFAERN CCCCC(=O)c1cccc(C)n1 82451267 572028531 /nfs/dbraw/zinc/02/85/31/572028531.db2.gz GQGVGPGMZKQYSX-UHFFFAOYSA-N 0 0 177.247 2.763 10 0 AFAERN CCCCCc1cnc(NC)nc1C 82445124 572028543 /nfs/dbraw/zinc/02/85/43/572028543.db2.gz XGRJXMNZJSIUOA-UHFFFAOYSA-N 0 0 193.294 2.559 10 0 AFAERN CC[C@@H](O)[C@H](C)Cc1cccs1 82448210 572028567 /nfs/dbraw/zinc/02/85/67/572028567.db2.gz UZQZROYBVOSHGI-PSASIEDQSA-N 0 0 184.304 2.698 10 0 AFAERN CCC(CC)Nc1ccn(CC)n1 300890479 572029268 /nfs/dbraw/zinc/02/92/68/572029268.db2.gz OLNRUUXPOXXNFC-UHFFFAOYSA-N 0 0 181.283 2.504 10 0 AFAERN CCc1cc(N)c(N(CC)CC)s1 75548609 572028666 /nfs/dbraw/zinc/02/86/66/572028666.db2.gz YIHRSXAEEMGODN-UHFFFAOYSA-N 0 0 198.335 2.739 10 0 AFAERN CC[C@H](O)[C@H](C)Cc1cccs1 82448208 572028716 /nfs/dbraw/zinc/02/87/16/572028716.db2.gz UZQZROYBVOSHGI-SCZZXKLOSA-N 0 0 184.304 2.698 10 0 AFAERN C[C@H]1CN(C)c2cscc2S1 75593091 572029278 /nfs/dbraw/zinc/02/92/78/572029278.db2.gz IINNFZZEXUJCQX-LURJTMIESA-N 0 0 185.317 2.679 10 0 AFAERN CC[C@H](O)[C@H](C)Cc1ccsc1 82448048 572028833 /nfs/dbraw/zinc/02/88/33/572028833.db2.gz ZIAUVSWOSJVODZ-SCZZXKLOSA-N 0 0 184.304 2.698 10 0 AFAERN CC(C)[C@@H]1CNc2sccc2N1 75592866 572029286 /nfs/dbraw/zinc/02/92/86/572029286.db2.gz MERKAEHFBNNXSH-QMMMGPOBSA-N 0 0 182.292 2.610 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1cccc(C)n1 82451376 572028890 /nfs/dbraw/zinc/02/88/90/572028890.db2.gz AUWVQPONQJLTAF-JOYOIKCWSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@@H](O)[C@@H](C)Cc1cccs1 82448207 572028896 /nfs/dbraw/zinc/02/88/96/572028896.db2.gz UZQZROYBVOSHGI-WCBMZHEXSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@@H](O)[C@H](C)CCC(C)C 82447994 572029288 /nfs/dbraw/zinc/02/92/88/572029288.db2.gz BLXFNKYQWNXNTE-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CCOC(C(=O)CC)(C1CC1)C1CC1 687775525 572028946 /nfs/dbraw/zinc/02/89/46/572028946.db2.gz VWXPCYQCRLWSQZ-UHFFFAOYSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@@H](O)[C@@H](C)CCC(C)C 82447989 572029016 /nfs/dbraw/zinc/02/90/16/572029016.db2.gz BLXFNKYQWNXNTE-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CCCCC(=O)CCCOC(C)C 689401506 572029057 /nfs/dbraw/zinc/02/90/57/572029057.db2.gz IDXOQLYCTCGXLN-UHFFFAOYSA-N 0 0 186.295 2.951 10 0 AFAERN CCCCOCC[C@@H](C)[C@@H](O)CC 82447839 572029200 /nfs/dbraw/zinc/02/92/00/572029200.db2.gz WYGDQJXVXDFENG-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@H](O)[C@H](C)CC1CCCC1 82448089 572029242 /nfs/dbraw/zinc/02/92/42/572029242.db2.gz SPORPUHUASOSOT-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](O)[C@H](C)Cc1cccc(F)c1 82447955 572029713 /nfs/dbraw/zinc/02/97/13/572029713.db2.gz NJJWHOQDYXOIOH-BXKDBHETSA-N 0 0 196.265 2.775 10 0 AFAERN Cc1cccc([C@@H](O)CCC(C)C)n1 82451356 572029450 /nfs/dbraw/zinc/02/94/50/572029450.db2.gz APVCHLMGWPPQQR-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@H](C)Oc1cccc([C@@H](C)O)c1 35627730 572029454 /nfs/dbraw/zinc/02/94/54/572029454.db2.gz SNLXFXSFUBVVAB-VHSXEESVSA-N 0 0 194.274 2.917 10 0 AFAERN C/C=C/COc1cccc([C@H](C)O)c1 35627896 572029510 /nfs/dbraw/zinc/02/95/10/572029510.db2.gz XFRWTZFQDFHOMJ-FSIBCCDJSA-N 0 0 192.258 2.695 10 0 AFAERN CC[C@H](C)C[C@@H](C)[C@H](O)CC 82448282 572029512 /nfs/dbraw/zinc/02/95/12/572029512.db2.gz ZFQWGULPKOVVCS-IVZWLZJFSA-N 0 0 158.285 2.830 10 0 AFAERN CCCCC[C@H](C)[C@H](O)CC 82448425 572029515 /nfs/dbraw/zinc/02/95/15/572029515.db2.gz JASVUPDAWJZXSA-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1cccc(C)n1 82451370 572029537 /nfs/dbraw/zinc/02/95/37/572029537.db2.gz AUWVQPONQJLTAF-SKDRFNHKSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@@H](C)Oc1cccc([C@H](C)O)c1 35627731 572029580 /nfs/dbraw/zinc/02/95/80/572029580.db2.gz SNLXFXSFUBVVAB-ZJUUUORDSA-N 0 0 194.274 2.917 10 0 AFAERN CC[C@H](C)C[C@H](C)[C@H](O)CC 82448285 572029669 /nfs/dbraw/zinc/02/96/69/572029669.db2.gz ZFQWGULPKOVVCS-LPEHRKFASA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)C[NH2+][C@H](C)c1ccco1 35738683 572029686 /nfs/dbraw/zinc/02/96/86/572029686.db2.gz WKOKRXIJNWQFIH-VHSXEESVSA-N 0 0 181.279 2.976 10 0 AFAERN CC[C@@H](O)[C@@H](C)Cc1cccc(C)c1 82447967 572029744 /nfs/dbraw/zinc/02/97/44/572029744.db2.gz DVFITQJJEGIJCK-WCQYABFASA-N 0 0 192.302 2.945 10 0 AFAERN C/C=C/COc1ccccc1[C@H](C)O 35627185 572030621 /nfs/dbraw/zinc/03/06/21/572030621.db2.gz MXSZNTMHPVZEMA-FSIBCCDJSA-N 0 0 192.258 2.695 10 0 AFAERN C/C=C/COc1cccc([C@@H](C)O)c1 35627895 572029751 /nfs/dbraw/zinc/02/97/51/572029751.db2.gz XFRWTZFQDFHOMJ-HMDXOVGESA-N 0 0 192.258 2.695 10 0 AFAERN CC[C@H](O)[C@@H](C)Cc1ccccc1C 82447972 572029867 /nfs/dbraw/zinc/02/98/67/572029867.db2.gz JAEVWLNKEAFOKW-AAEUAGOBSA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@H](O)[C@H](C)Cc1ccccc1F 82448442 572029932 /nfs/dbraw/zinc/02/99/32/572029932.db2.gz NHFKJULGPZYMNW-SKDRFNHKSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@H](O)[C@H](C)CC1CCCC1 82448087 572029944 /nfs/dbraw/zinc/02/99/44/572029944.db2.gz SPORPUHUASOSOT-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCC[C@H](C)[C@@H](O)CC 82448428 572030611 /nfs/dbraw/zinc/03/06/11/572030611.db2.gz JASVUPDAWJZXSA-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@H](O)[C@H](C)Cc1cccc(F)c1 82447954 572030013 /nfs/dbraw/zinc/03/00/13/572030013.db2.gz NJJWHOQDYXOIOH-SKDRFNHKSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@H](C)C[NH2+][C@@H](C)c1ccco1 35738681 572030058 /nfs/dbraw/zinc/03/00/58/572030058.db2.gz WKOKRXIJNWQFIH-UWVGGRQHSA-N 0 0 181.279 2.976 10 0 AFAERN CCC[C@](OCC)(C(C)=O)C1CC1 687775754 572030099 /nfs/dbraw/zinc/03/00/99/572030099.db2.gz NLGUVFNLGVQMBU-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](O)[C@H](C)Cc1ccccc1F 82448443 572030105 /nfs/dbraw/zinc/03/01/05/572030105.db2.gz NHFKJULGPZYMNW-BXKDBHETSA-N 0 0 196.265 2.775 10 0 AFAERN CCOc1ccc(C)cc1[C@H](C)[NH2+]C 35629495 572030132 /nfs/dbraw/zinc/03/01/32/572030132.db2.gz FPNRCYNKLUMZDO-JTQLQIEISA-N 0 0 193.290 2.674 10 0 AFAERN CCCCC[C@@H](C)[C@H](O)CC 82448423 572030625 /nfs/dbraw/zinc/03/06/25/572030625.db2.gz JASVUPDAWJZXSA-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN CCCCOCC[C@H](C)[C@@H](O)CC 82447841 572030325 /nfs/dbraw/zinc/03/03/25/572030325.db2.gz WYGDQJXVXDFENG-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CCC[C@@](OCC)(C(C)=O)C1CC1 687775753 572030328 /nfs/dbraw/zinc/03/03/28/572030328.db2.gz NLGUVFNLGVQMBU-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](O)[C@@H](C)Cc1ccc(C)cc1 82447958 572030574 /nfs/dbraw/zinc/03/05/74/572030574.db2.gz CYBXKHBGMDBUMZ-WCQYABFASA-N 0 0 192.302 2.945 10 0 AFAERN CCCC[C@@H](O)c1cccc(C)n1 82451353 572030372 /nfs/dbraw/zinc/03/03/72/572030372.db2.gz AJCYWKQDFBQJFR-LLVKDONJSA-N 0 0 179.263 2.614 10 0 AFAERN CC[C@@H](O)[C@H](C)Cc1cccc(C)c1 82447970 572030389 /nfs/dbraw/zinc/03/03/89/572030389.db2.gz DVFITQJJEGIJCK-DGCLKSJQSA-N 0 0 192.302 2.945 10 0 AFAERN CCCCOCC[C@@H](C)[C@H](O)CC 82447836 572030400 /nfs/dbraw/zinc/03/04/00/572030400.db2.gz WYGDQJXVXDFENG-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@H](O)[C@@H](C)Cc1cccs1 82448205 572030582 /nfs/dbraw/zinc/03/05/82/572030582.db2.gz UZQZROYBVOSHGI-WPRPVWTQSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@@H](C)Oc1cccc([C@@H](C)O)c1 35627729 572030515 /nfs/dbraw/zinc/03/05/15/572030515.db2.gz SNLXFXSFUBVVAB-NXEZZACHSA-N 0 0 194.274 2.917 10 0 AFAERN CC[C@H](O)[C@@H](C)Cc1ccsc1 82448045 572030522 /nfs/dbraw/zinc/03/05/22/572030522.db2.gz ZIAUVSWOSJVODZ-WPRPVWTQSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@H](O)[C@@H](C)Cc1ccc(C)cc1 82447957 572030542 /nfs/dbraw/zinc/03/05/42/572030542.db2.gz CYBXKHBGMDBUMZ-AAEUAGOBSA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@H](C)C[C@H](O)c1cccc(C)n1 82451372 572030544 /nfs/dbraw/zinc/03/05/44/572030544.db2.gz AUWVQPONQJLTAF-CABZTGNLSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@@H](O)[C@@H](C)Cc1cccc(F)c1 82447952 572030648 /nfs/dbraw/zinc/03/06/48/572030648.db2.gz NJJWHOQDYXOIOH-JOYOIKCWSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@@H](C)C[NH2+][C@@H](C)c1ccco1 35738680 572030672 /nfs/dbraw/zinc/03/06/72/572030672.db2.gz WKOKRXIJNWQFIH-ZJUUUORDSA-N 0 0 181.279 2.976 10 0 AFAERN CCCN(C)c1ccccc1[C@@H](C)O 35650543 572030693 /nfs/dbraw/zinc/03/06/93/572030693.db2.gz KXAYJDFLYSPIJS-SNVBAGLBSA-N 0 0 193.290 2.586 10 0 AFAERN CC[C@@H](O)[C@@H](C)Cc1ccsc1 82448046 572030712 /nfs/dbraw/zinc/03/07/12/572030712.db2.gz ZIAUVSWOSJVODZ-WCBMZHEXSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@@H](O)[C@H](C)Cc1ccccc1C 82447976 572030755 /nfs/dbraw/zinc/03/07/55/572030755.db2.gz JAEVWLNKEAFOKW-DGCLKSJQSA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@@H](O)[C@@H](C)Cc1ccccc1C 82447973 572030758 /nfs/dbraw/zinc/03/07/58/572030758.db2.gz JAEVWLNKEAFOKW-WCQYABFASA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@@H](O)[C@@H](C)Cc1ccccc1F 82448439 572030764 /nfs/dbraw/zinc/03/07/64/572030764.db2.gz NHFKJULGPZYMNW-JOYOIKCWSA-N 0 0 196.265 2.775 10 0 AFAERN CC[C@H](O)[C@@H](C)Cc1cccc(C)c1 82447965 572030779 /nfs/dbraw/zinc/03/07/79/572030779.db2.gz DVFITQJJEGIJCK-AAEUAGOBSA-N 0 0 192.302 2.945 10 0 AFAERN CCCO[C@]1(C(=O)CC)C[C@H](C)[C@@H]1C 687776468 572030848 /nfs/dbraw/zinc/03/08/48/572030848.db2.gz FQJMEPCIEFNXAU-JBLDHEPKSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](O)[C@H](C)Cc1ccccc1C 82447974 572030863 /nfs/dbraw/zinc/03/08/63/572030863.db2.gz JAEVWLNKEAFOKW-YPMHNXCESA-N 0 0 192.302 2.945 10 0 AFAERN CC[C@H](C/C=C/Cl)[C@H](C)O 234028175 572030897 /nfs/dbraw/zinc/03/08/97/572030897.db2.gz XCMFPAXTXXSTES-VJYOWIMYSA-N 0 0 162.660 2.536 10 0 AFAERN CC[C@H](C/C=C/Cl)[C@@H](C)O 234028162 572030934 /nfs/dbraw/zinc/03/09/34/572030934.db2.gz XCMFPAXTXXSTES-CTDODENGSA-N 0 0 162.660 2.536 10 0 AFAERN CCCC[C@H](O)c1cccc(C)n1 82451352 572030967 /nfs/dbraw/zinc/03/09/67/572030967.db2.gz AJCYWKQDFBQJFR-NSHDSACASA-N 0 0 179.263 2.614 10 0 AFAERN CCCCOCC[C@H](C)[C@H](O)CC 82447837 572030969 /nfs/dbraw/zinc/03/09/69/572030969.db2.gz WYGDQJXVXDFENG-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCCC(=O)[C@]1(OCC)CC[C@H]1C 687776512 572030971 /nfs/dbraw/zinc/03/09/71/572030971.db2.gz RRXGERRTXFVYRA-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CCCN(C)c1ccc([C@@H](C)O)cc1 35631668 572031006 /nfs/dbraw/zinc/03/10/06/572031006.db2.gz ZZCKIZQXDGHGBD-SNVBAGLBSA-N 0 0 193.290 2.586 10 0 AFAERN CCCO[C@]1(C(=O)CC)C[C@@H](C)[C@@H]1C 687776469 572031018 /nfs/dbraw/zinc/03/10/18/572031018.db2.gz FQJMEPCIEFNXAU-JFGNBEQYSA-N 0 0 198.306 2.807 10 0 AFAERN CCCO[C@]1(C(=O)CC)C[C@@H](C)[C@H]1C 687776466 572031075 /nfs/dbraw/zinc/03/10/75/572031075.db2.gz FQJMEPCIEFNXAU-CKYFFXLPSA-N 0 0 198.306 2.807 10 0 AFAERN C=Cc1nc(CCC(C)(C)C)no1 300897379 572031086 /nfs/dbraw/zinc/03/10/86/572031086.db2.gz QJBOCZVRHYTCGN-UHFFFAOYSA-N 0 0 180.251 2.691 10 0 AFAERN CC(C)C[S@@](=O)C1CCCCC1 526870320 572031114 /nfs/dbraw/zinc/03/11/14/572031114.db2.gz JFHKBNIXJAMXDQ-GFCCVEGCSA-N 0 0 188.336 2.724 10 0 AFAERN CCCC(=O)[C@@]1(OCC)CC[C@@H]1C 687776511 572031119 /nfs/dbraw/zinc/03/11/19/572031119.db2.gz RRXGERRTXFVYRA-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)OCCC1=C[C@@H](O)C[C@H](C)C1 687776446 572031133 /nfs/dbraw/zinc/03/11/33/572031133.db2.gz AJHCKFNKXZGMTI-PWSUYJOCSA-N 0 0 198.306 2.519 10 0 AFAERN Cc1ccc(CSO)cc1 526850183 572031217 /nfs/dbraw/zinc/03/12/17/572031217.db2.gz DYGYNFPORVMNRB-UHFFFAOYSA-N 0 0 153.226 2.574 10 0 AFAERN C[C@H](O)c1ccccc1OCC1CC1 35650599 572031230 /nfs/dbraw/zinc/03/12/30/572031230.db2.gz NJMGPAZOXVMDNA-VIFPVBQESA-N 0 0 192.258 2.529 10 0 AFAERN OSCc1ccc(Cl)cc1 526851950 572031252 /nfs/dbraw/zinc/03/12/52/572031252.db2.gz YXYJCAAIYSZKSD-UHFFFAOYSA-N 0 0 173.644 2.919 10 0 AFAERN CC[C@@H](C)C[NH2+][C@H](C)c1ccco1 35738682 572031342 /nfs/dbraw/zinc/03/13/42/572031342.db2.gz WKOKRXIJNWQFIH-NXEZZACHSA-N 0 0 181.279 2.976 10 0 AFAERN CCCN(C)c1ccc([C@H](C)O)cc1 35631669 572031566 /nfs/dbraw/zinc/03/15/66/572031566.db2.gz ZZCKIZQXDGHGBD-JTQLQIEISA-N 0 0 193.290 2.586 10 0 AFAERN CC1(C)Sc2sccc2NC1=O 75592222 572031570 /nfs/dbraw/zinc/03/15/70/572031570.db2.gz REKYQOPPTGXNMQ-UHFFFAOYSA-N 0 0 199.300 2.571 10 0 AFAERN CC[C@H](C)Oc1cccc([C@H](C)O)c1 35627732 572031594 /nfs/dbraw/zinc/03/15/94/572031594.db2.gz SNLXFXSFUBVVAB-UWVGGRQHSA-N 0 0 194.274 2.917 10 0 AFAERN Nc1c(-c2ccc[nH]2)cn2ccccc12 75600775 572031625 /nfs/dbraw/zinc/03/16/25/572031625.db2.gz HXHVQVOFLMNIOT-UHFFFAOYSA-N 0 0 197.241 2.517 10 0 AFAERN CCCCOCc1cccc(N)c1C 35649502 572031658 /nfs/dbraw/zinc/03/16/58/572031658.db2.gz AMNOPTIQEQQJEP-UHFFFAOYSA-N 0 0 193.290 2.894 10 0 AFAERN CCOc1ccc(C)cc1[C@@H](C)[NH2+]C 35629494 572031710 /nfs/dbraw/zinc/03/17/10/572031710.db2.gz FPNRCYNKLUMZDO-SNVBAGLBSA-N 0 0 193.290 2.674 10 0 AFAERN CC(C)OCCC1=C[C@@H](O)C[C@@H](C)C1 687776445 572031722 /nfs/dbraw/zinc/03/17/22/572031722.db2.gz AJHCKFNKXZGMTI-JQWIXIFHSA-N 0 0 198.306 2.519 10 0 AFAERN C/C=C/COc1ccccc1[C@@H](C)O 35627184 572031776 /nfs/dbraw/zinc/03/17/76/572031776.db2.gz MXSZNTMHPVZEMA-HMDXOVGESA-N 0 0 192.258 2.695 10 0 AFAERN CCCC(=O)[C@@]1(OCC)CC[C@H]1C 687776513 572031889 /nfs/dbraw/zinc/03/18/89/572031889.db2.gz RRXGERRTXFVYRA-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCC[S@@](=O)C(C)C 526869160 572031956 /nfs/dbraw/zinc/03/19/56/572031956.db2.gz IPGMJWURGRJGNZ-LLVKDONJSA-N 0 0 176.325 2.724 10 0 AFAERN CCCC(=O)[C@]1(OCC)CC[C@@H]1C 687776514 572031975 /nfs/dbraw/zinc/03/19/75/572031975.db2.gz RRXGERRTXFVYRA-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CCCO[C@@](C)(C(=O)CC)C1(C)CC1 687776508 572032033 /nfs/dbraw/zinc/03/20/33/572032033.db2.gz PTZRTUCGXMNATG-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCC[S@](=O)CC(C)C 526870047 572032022 /nfs/dbraw/zinc/03/20/22/572032022.db2.gz DHALKKDTQVCPRN-NSHDSACASA-N 0 0 176.325 2.581 10 0 AFAERN CCCCCC[S@](=O)C(C)C 526869161 572032139 /nfs/dbraw/zinc/03/21/39/572032139.db2.gz IPGMJWURGRJGNZ-NSHDSACASA-N 0 0 176.325 2.724 10 0 AFAERN CCCO[C@](C)(C(=O)CC)C1(C)CC1 687776507 572032217 /nfs/dbraw/zinc/03/22/17/572032217.db2.gz PTZRTUCGXMNATG-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)OCCC1=C[C@H](O)C[C@H](C)C1 687776447 572032225 /nfs/dbraw/zinc/03/22/25/572032225.db2.gz AJHCKFNKXZGMTI-ZYHUDNBSSA-N 0 0 198.306 2.519 10 0 AFAERN OSCc1ccccc1Cl 526851636 572032249 /nfs/dbraw/zinc/03/22/49/572032249.db2.gz QSMKBYJZZSAOIB-UHFFFAOYSA-N 0 0 173.644 2.919 10 0 AFAERN CCCO[C@]1(C(=O)CC)C[C@H](C)[C@H]1C 687776467 572032266 /nfs/dbraw/zinc/03/22/66/572032266.db2.gz FQJMEPCIEFNXAU-HOSYDEDBSA-N 0 0 198.306 2.807 10 0 AFAERN c1ccc2c(c1)CC[C@@H]2Nc1cn[nH]c1 35763908 572032366 /nfs/dbraw/zinc/03/23/66/572032366.db2.gz PLPWKMNUBOUIND-LBPRGKRZSA-N 0 0 199.257 2.509 10 0 AFAERN CC(C)OCCC1=C[C@H](O)C[C@@H](C)C1 687776444 572032419 /nfs/dbraw/zinc/03/24/19/572032419.db2.gz AJHCKFNKXZGMTI-CMPLNLGQSA-N 0 0 198.306 2.519 10 0 AFAERN CCC[S@](=O)Cc1ccc(C)cc1 526851472 572032451 /nfs/dbraw/zinc/03/24/51/572032451.db2.gz YYDRLFIAKDPOLD-ZDUSSCGKSA-N 0 0 196.315 2.654 10 0 AFAERN CC(C)C[S@](=O)C1CCCCC1 526870321 572032467 /nfs/dbraw/zinc/03/24/67/572032467.db2.gz JFHKBNIXJAMXDQ-LBPRGKRZSA-N 0 0 188.336 2.724 10 0 AFAERN CCCCCC[S@@](=O)CC(C)C 526871772 572032480 /nfs/dbraw/zinc/03/24/80/572032480.db2.gz TZRZBGAQINVJAW-GFCCVEGCSA-N 0 0 190.352 2.971 10 0 AFAERN CCCCCC[S@](=O)CC(C)C 526871776 572032504 /nfs/dbraw/zinc/03/25/04/572032504.db2.gz TZRZBGAQINVJAW-LBPRGKRZSA-N 0 0 190.352 2.971 10 0 AFAERN CC(=O)CCC(=O)[C@@H](C)CC(C)C 300899848 572032894 /nfs/dbraw/zinc/03/28/94/572032894.db2.gz KUFXHXGPIOSDCE-VIFPVBQESA-N 0 0 184.279 2.607 10 0 AFAERN S=C(S)c1ccc(Cl)cc1 33732999 572032963 /nfs/dbraw/zinc/03/29/63/572032963.db2.gz ZYXBMZWOPXQKMJ-UHFFFAOYSA-N 0 0 188.704 2.945 10 0 AFAERN CCCC(CCC)Nc1cn[nH]c1 35763748 572033317 /nfs/dbraw/zinc/03/33/17/572033317.db2.gz CIRFMHSSGVAXNE-UHFFFAOYSA-N 0 0 181.283 2.790 10 0 AFAERN CSCCC[C@H](O)CCC1CC1 235026195 572033307 /nfs/dbraw/zinc/03/33/07/572033307.db2.gz NVDPUGVWIKYOSR-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN c1ccc2c(c1)CC[C@H]2Nc1cn[nH]c1 35763909 572033439 /nfs/dbraw/zinc/03/34/39/572033439.db2.gz PLPWKMNUBOUIND-GFCCVEGCSA-N 0 0 199.257 2.509 10 0 AFAERN CCCCC[C@H](C)Nc1cn[nH]c1 35763646 572033472 /nfs/dbraw/zinc/03/34/72/572033472.db2.gz PXFHMTMXYTWBPS-VIFPVBQESA-N 0 0 181.283 2.790 10 0 AFAERN Cc1ccccc1C[S@@](=O)C(C)C 526856712 572033652 /nfs/dbraw/zinc/03/36/52/572033652.db2.gz XDPVWGQSSYJAAC-CYBMUJFWSA-N 0 0 196.315 2.652 10 0 AFAERN CCC(=O)[C@@]1(OC)CC(C)(C)C[C@H]1C 687776236 572033680 /nfs/dbraw/zinc/03/36/80/572033680.db2.gz ACAYFMKRLZIJLK-BXKDBHETSA-N 0 0 198.306 2.807 10 0 AFAERN C/C=C/CCNC(=O)[C@H](C)CCCC 300897962 572033737 /nfs/dbraw/zinc/03/37/37/572033737.db2.gz INBJWXWAFLTOKN-DUMNWFOQSA-N 0 0 197.322 2.895 10 0 AFAERN Cc1ccccc1CSO 526859300 572033754 /nfs/dbraw/zinc/03/37/54/572033754.db2.gz YWBZIMUQCHYBPN-UHFFFAOYSA-N 0 0 153.226 2.574 10 0 AFAERN CCCC[C@H](C)[C@@H](NN)C(C)(C)C 300898015 572033822 /nfs/dbraw/zinc/03/38/22/572033822.db2.gz INMBOLBQALDRLR-VHSXEESVSA-N 0 0 186.343 2.691 10 0 AFAERN CO[C@@](C)(CCC(C)(C)C)C(C)=O 687776330 572033874 /nfs/dbraw/zinc/03/38/74/572033874.db2.gz QJBQYLXOTWZWAE-NSHDSACASA-N 0 0 186.295 2.807 10 0 AFAERN CCC[S@@](=O)Cc1ccccc1C 526855768 572033986 /nfs/dbraw/zinc/03/39/86/572033986.db2.gz KJVAKSIAZGSCFE-CYBMUJFWSA-N 0 0 196.315 2.654 10 0 AFAERN CO[C@](C)(CCC(C)(C)C)C(C)=O 687776328 572034025 /nfs/dbraw/zinc/03/40/25/572034025.db2.gz QJBQYLXOTWZWAE-LLVKDONJSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)CC[C@H](C)Nc1cn[nH]c1 35763745 572034146 /nfs/dbraw/zinc/03/41/46/572034146.db2.gz RIGHBCPLRDKMBX-VIFPVBQESA-N 0 0 181.283 2.646 10 0 AFAERN CC(C)C[C@H](C)CNOC(C)(C)C 300899026 572034161 /nfs/dbraw/zinc/03/41/61/572034161.db2.gz KRKQYZBNQZKOGS-JTQLQIEISA-N 0 0 187.327 2.988 10 0 AFAERN C/C=C/CCNC(=O)[C@@H](C)CCCC 300897964 572034213 /nfs/dbraw/zinc/03/42/13/572034213.db2.gz INBJWXWAFLTOKN-MALLOTDXSA-N 0 0 197.322 2.895 10 0 AFAERN CC(=O)CCC(=O)[C@H](C)CC(C)C 300899846 572034305 /nfs/dbraw/zinc/03/43/05/572034305.db2.gz KUFXHXGPIOSDCE-SECBINFHSA-N 0 0 184.279 2.607 10 0 AFAERN Cc1ccccc1C[S@](=O)C(C)C 526856768 572034958 /nfs/dbraw/zinc/03/49/58/572034958.db2.gz XDPVWGQSSYJAAC-ZDUSSCGKSA-N 0 0 196.315 2.652 10 0 AFAERN O[C@@H](C[C@@H]1CC=CCC1)C1CCC1 402159379 572034433 /nfs/dbraw/zinc/03/44/33/572034433.db2.gz RDMNRNHQUOBWOQ-PWSUYJOCSA-N 0 0 180.291 2.894 10 0 AFAERN CCN1Cc2cccc3[nH]cc(c23)C1 33756400 572034528 /nfs/dbraw/zinc/03/45/28/572034528.db2.gz AQETXVKRXPEFAT-UHFFFAOYSA-N 0 0 186.258 2.503 10 0 AFAERN CC(C)C[C@@H](C)CNOC(C)(C)C 300899028 572034574 /nfs/dbraw/zinc/03/45/74/572034574.db2.gz KRKQYZBNQZKOGS-SNVBAGLBSA-N 0 0 187.327 2.988 10 0 AFAERN CCC[S@](=O)Cc1ccccc1C 526855769 572034607 /nfs/dbraw/zinc/03/46/07/572034607.db2.gz KJVAKSIAZGSCFE-ZDUSSCGKSA-N 0 0 196.315 2.654 10 0 AFAERN CCC(=O)[C@]1(OC)CC(C)(C)C[C@@H]1C 687776237 572034692 /nfs/dbraw/zinc/03/46/92/572034692.db2.gz ACAYFMKRLZIJLK-CABZTGNLSA-N 0 0 198.306 2.807 10 0 AFAERN CCCC[C@@H](C)[C@@H](NN)C(C)(C)C 300898011 572034736 /nfs/dbraw/zinc/03/47/36/572034736.db2.gz INMBOLBQALDRLR-NXEZZACHSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1ccc(OCCCSO)cc1 526882466 572034836 /nfs/dbraw/zinc/03/48/36/572034836.db2.gz UEXCMXUZHUWDIQ-UHFFFAOYSA-N 0 0 197.279 2.843 10 0 AFAERN CCC(=O)[C@@]1(OC)CC(C)(C)C[C@@H]1C 687776238 572034885 /nfs/dbraw/zinc/03/48/85/572034885.db2.gz ACAYFMKRLZIJLK-JOYOIKCWSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)C[C@@H](C)CC(=O)CC[NH+](C)C 300900689 572035374 /nfs/dbraw/zinc/03/53/74/572035374.db2.gz KWDAKAPXXPNJJL-LLVKDONJSA-N 0 0 199.338 2.580 10 0 AFAERN CC(=O)[C@@H](C)c1c[nH]c2ccccc12 220976821 572035380 /nfs/dbraw/zinc/03/53/80/572035380.db2.gz GXZVRWQNMIQPMH-MRVPVSSYSA-N 0 0 187.242 2.860 10 0 AFAERN CC(=O)[C@H](C)c1c[nH]c2ccccc12 220976885 572035421 /nfs/dbraw/zinc/03/54/21/572035421.db2.gz GXZVRWQNMIQPMH-QMMMGPOBSA-N 0 0 187.242 2.860 10 0 AFAERN CC(C)CC[C@@H](C)Nc1cn[nH]c1 35763744 572035622 /nfs/dbraw/zinc/03/56/22/572035622.db2.gz RIGHBCPLRDKMBX-SECBINFHSA-N 0 0 181.283 2.646 10 0 AFAERN CC(C)C[C@H](C)CC(=O)CC[NH+](C)C 300900690 572035655 /nfs/dbraw/zinc/03/56/55/572035655.db2.gz KWDAKAPXXPNJJL-NSHDSACASA-N 0 0 199.338 2.580 10 0 AFAERN CCCCC[C@@H](C)Nc1cn[nH]c1 35763645 572035690 /nfs/dbraw/zinc/03/56/90/572035690.db2.gz PXFHMTMXYTWBPS-SECBINFHSA-N 0 0 181.283 2.790 10 0 AFAERN CCCOc1cc(C)ccc1[C@@H](C)O 82502520 572035851 /nfs/dbraw/zinc/03/58/51/572035851.db2.gz WBOAGUWSFLUPAB-SNVBAGLBSA-N 0 0 194.274 2.837 10 0 AFAERN O=C1CC[C@@]23CCCC[C@]2(C1)C3 33822854 572035922 /nfs/dbraw/zinc/03/59/22/572035922.db2.gz BHYJADJAXGOHEW-MNOVXSKESA-N 0 0 164.248 2.690 10 0 AFAERN CC/C=C(/C)C(=O)OC1CCCC1 114275124 572035962 /nfs/dbraw/zinc/03/59/62/572035962.db2.gz FMSHYQKKWVEPJB-TWGQIWQCSA-N 0 0 182.263 2.829 10 0 AFAERN Cc1nc2ccccc2c(N)c1Cl 68135790 572036141 /nfs/dbraw/zinc/03/61/41/572036141.db2.gz OUVSXVLHXWUHPS-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCCOc1cc(C)ccc1[C@H](C)O 82502521 572036161 /nfs/dbraw/zinc/03/61/61/572036161.db2.gz WBOAGUWSFLUPAB-JTQLQIEISA-N 0 0 194.274 2.837 10 0 AFAERN O=C1CC[C@]23CCCC[C@@]2(C1)C3 33822853 572036187 /nfs/dbraw/zinc/03/61/87/572036187.db2.gz BHYJADJAXGOHEW-WDEREUQCSA-N 0 0 164.248 2.690 10 0 AFAERN CCCC[C@H](C)[C@@H](O)c1cccnc1 300901876 572036362 /nfs/dbraw/zinc/03/63/62/572036362.db2.gz JAGDUQCGKCIMGG-CMPLNLGQSA-N 0 0 193.290 2.941 10 0 AFAERN CC/C=C(/C)CCCCO 33839936 572036378 /nfs/dbraw/zinc/03/63/78/572036378.db2.gz SAGBALOKGFKCER-TWGQIWQCSA-N 0 0 142.242 2.505 10 0 AFAERN Cc1nc2ccccc2n2cccc12 33835881 572036803 /nfs/dbraw/zinc/03/68/03/572036803.db2.gz ZJOMPHXQPXYRIO-UHFFFAOYSA-N 0 0 182.226 2.796 10 0 AFAERN CCCCS[C@H]1CCCC[C@@H]1O 35784385 572036837 /nfs/dbraw/zinc/03/68/37/572036837.db2.gz CNPZRROKTDCHCN-UWVGGRQHSA-N 0 0 188.336 2.823 10 0 AFAERN CC/C=C\C[C@H]1C(=O)CC[C@H]1C 33842453 572036947 /nfs/dbraw/zinc/03/69/47/572036947.db2.gz QQLJHNUFLMPPGC-BYIQDMNASA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)C1=N[C@@](C)(C(C)C)N=C1 33835935 572037041 /nfs/dbraw/zinc/03/70/41/572037041.db2.gz XYLOJUZFMFOBSI-JTQLQIEISA-N 0 0 166.268 2.540 10 0 AFAERN CCCC[C@@H](C)[C@H](O)c1cccnc1 300901880 572037099 /nfs/dbraw/zinc/03/70/99/572037099.db2.gz JAGDUQCGKCIMGG-PWSUYJOCSA-N 0 0 193.290 2.941 10 0 AFAERN CC(C)=C(/C=C/CO)C(C)C 33839452 572037137 /nfs/dbraw/zinc/03/71/37/572037137.db2.gz SLRJHBOXLVZQBI-AATRIKPKSA-N 0 0 154.253 2.527 10 0 AFAERN Cc1cccc(Cn2cccc2)c1 33835540 572037185 /nfs/dbraw/zinc/03/71/85/572037185.db2.gz YKFFRHIEJYBHEJ-UHFFFAOYSA-N 0 0 171.243 2.845 10 0 AFAERN CCCCC/C=C\[C@@H](C)O 33842262 572037246 /nfs/dbraw/zinc/03/72/46/572037246.db2.gz YNVSGIMVJYMXHH-UFGYOYAJSA-N 0 0 142.242 2.504 10 0 AFAERN C/C=C(\C)C[C@H](C)C(=O)CC 15120826 572037359 /nfs/dbraw/zinc/03/73/59/572037359.db2.gz BKSCONCLLLPWGA-QRJSTWQJSA-N 0 0 154.253 2.958 10 0 AFAERN CCCCC/C=C/[C@H](C)O 33842229 572037425 /nfs/dbraw/zinc/03/74/25/572037425.db2.gz YNVSGIMVJYMXHH-FLOXNTQESA-N 0 0 142.242 2.504 10 0 AFAERN Cc1cccc2c(N)n(C(C)C)nc12 219697851 572037476 /nfs/dbraw/zinc/03/74/76/572037476.db2.gz VAGXCYACLORBTA-UHFFFAOYSA-N 0 0 189.262 2.508 10 0 AFAERN CCCCC/C=C/[C@@H](C)O 33842228 572037510 /nfs/dbraw/zinc/03/75/10/572037510.db2.gz YNVSGIMVJYMXHH-FCZSHJHJSA-N 0 0 142.242 2.504 10 0 AFAERN CC[C@@H](Nc1nccs1)C(C)C 42591166 572037604 /nfs/dbraw/zinc/03/76/04/572037604.db2.gz HMKXZOGWTWMDNL-MRVPVSSYSA-N 0 0 184.308 2.990 10 0 AFAERN CSC1=CCCCC1 33836315 572037649 /nfs/dbraw/zinc/03/76/49/572037649.db2.gz HNJZXUIBVXBJFK-UHFFFAOYSA-N 0 0 128.240 2.807 10 0 AFAERN CC1=CCc2c(C)cc(C=O)cc21 15120007 572037775 /nfs/dbraw/zinc/03/77/75/572037775.db2.gz VBNXDDUHORPWSM-UHFFFAOYSA-N 0 0 172.227 2.767 10 0 AFAERN CCC/C=C/[C@@H](O)C(C)(C)C 33841114 572037777 /nfs/dbraw/zinc/03/77/77/572037777.db2.gz JDLUVPHVGCJDIH-FCZSHJHJSA-N 0 0 156.269 2.750 10 0 AFAERN CC1(C)CCc2c(O)cccc21 33827821 572037903 /nfs/dbraw/zinc/03/79/03/572037903.db2.gz FCCRASGUAOTJHA-UHFFFAOYSA-N 0 0 162.232 2.616 10 0 AFAERN CSCC[C@H](O)C1=CCCCC1 235035402 572038013 /nfs/dbraw/zinc/03/80/13/572038013.db2.gz NMZXYQPZVODGKJ-JTQLQIEISA-N 0 0 186.320 2.601 10 0 AFAERN c1ccc2c(NC3COC3)cccc2c1 82487810 572038027 /nfs/dbraw/zinc/03/80/27/572038027.db2.gz BDJKGTRLKCAXSG-UHFFFAOYSA-N 0 0 199.253 2.651 10 0 AFAERN CCCC[C@@H](C)c1nncn1CCC 300907541 572038575 /nfs/dbraw/zinc/03/85/75/572038575.db2.gz JRBZXXSKDZJZJV-SNVBAGLBSA-N 0 0 195.310 2.982 10 0 AFAERN C/C=C(\C)C[C@@H](C)C(=O)CC 15120827 572038579 /nfs/dbraw/zinc/03/85/79/572038579.db2.gz BKSCONCLLLPWGA-WHXYTISESA-N 0 0 154.253 2.958 10 0 AFAERN Cc1c2cccc(N)c2nn1C(C)C 219701534 572038716 /nfs/dbraw/zinc/03/87/16/572038716.db2.gz PFJVIKGPSNUHCO-UHFFFAOYSA-N 0 0 189.262 2.508 10 0 AFAERN Cc1cccc2nn(C(C)C)c(N)c12 219696975 572038744 /nfs/dbraw/zinc/03/87/44/572038744.db2.gz NJSJVPMPYZWINP-UHFFFAOYSA-N 0 0 189.262 2.508 10 0 AFAERN CCCC[C@H](C)c1nncn1CCC 300907540 572038892 /nfs/dbraw/zinc/03/88/92/572038892.db2.gz JRBZXXSKDZJZJV-JTQLQIEISA-N 0 0 195.310 2.982 10 0 AFAERN CCCCC[C@@H]1CCC(=S)N1 33843455 572038962 /nfs/dbraw/zinc/03/89/62/572038962.db2.gz UTPCDDDLUOIUPW-MRVPVSSYSA-N 0 0 171.309 2.646 10 0 AFAERN CC[C@H](Nc1cc(N)ns1)C(C)C 234033636 572039015 /nfs/dbraw/zinc/03/90/15/572039015.db2.gz NKHPMXFFJOAXMH-ZETCQYMHSA-N 0 0 199.323 2.572 10 0 AFAERN CC1=CSC2=N[C@@H]3CCCC[C@@H]3N12 33852888 572039040 /nfs/dbraw/zinc/03/90/40/572039040.db2.gz ATXOJRLXDAUSHR-BDAKNGLRSA-N 0 0 194.303 2.577 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)C1=COCCC1 300902615 572039165 /nfs/dbraw/zinc/03/91/65/572039165.db2.gz LBKKYZQZMJPBML-ZYHUDNBSSA-N 0 0 198.306 2.724 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](CC1CC1)NN 300906825 572039295 /nfs/dbraw/zinc/03/92/95/572039295.db2.gz LLZYNUGSFRRLCU-JQWIXIFHSA-N 0 0 198.354 2.691 10 0 AFAERN CC1=CSC2=N[C@@H]3CCCC[C@H]3N12 33852887 572039539 /nfs/dbraw/zinc/03/95/39/572039539.db2.gz ATXOJRLXDAUSHR-RKDXNWHRSA-N 0 0 194.303 2.577 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)C1=COCCC1 300902606 572039773 /nfs/dbraw/zinc/03/97/73/572039773.db2.gz LBKKYZQZMJPBML-CMPLNLGQSA-N 0 0 198.306 2.724 10 0 AFAERN CCCCC[C@H]1CCC(=S)N1 33843456 572039662 /nfs/dbraw/zinc/03/96/62/572039662.db2.gz UTPCDDDLUOIUPW-QMMMGPOBSA-N 0 0 171.309 2.646 10 0 AFAERN CC[C@@H](C(C)C)n1cn[nH]c1=S 42591590 572039729 /nfs/dbraw/zinc/03/97/29/572039729.db2.gz GUKURRDUUMRYJS-ZETCQYMHSA-N 0 0 185.296 2.548 10 0 AFAERN O[C@@H]1CCC/C1=C\c1ccccc1 33846269 572040008 /nfs/dbraw/zinc/04/00/08/572040008.db2.gz OTWFRIUNWJAZES-LMMOQWNQSA-N 0 0 174.243 2.615 10 0 AFAERN CC[C@H](C(C)C)n1c(C)n[nH]c1=S 42591598 572040058 /nfs/dbraw/zinc/04/00/58/572040058.db2.gz XQXONOMEKNKXEI-MRVPVSSYSA-N 0 0 199.323 2.856 10 0 AFAERN CC1=CCCC(C)(C)[C@@H]1/C=C/CO 33844671 572040229 /nfs/dbraw/zinc/04/02/29/572040229.db2.gz XFXXEQAYHOHEQN-OKPNEXGHSA-N 0 0 180.291 2.917 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](CC1CC1)NN 300906832 572040359 /nfs/dbraw/zinc/04/03/59/572040359.db2.gz LLZYNUGSFRRLCU-ZYHUDNBSSA-N 0 0 198.354 2.691 10 0 AFAERN CC(C)C[C@@H](C)C[C@@H](CC1CC1)NN 300906828 572040610 /nfs/dbraw/zinc/04/06/10/572040610.db2.gz LLZYNUGSFRRLCU-PWSUYJOCSA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@@H](C(C)C)n1c(C)n[nH]c1=S 42591595 572040632 /nfs/dbraw/zinc/04/06/32/572040632.db2.gz XQXONOMEKNKXEI-QMMMGPOBSA-N 0 0 199.323 2.856 10 0 AFAERN CC(C)C[C@H](C)C[C@H](CC1CC1)NN 300906821 572040683 /nfs/dbraw/zinc/04/06/83/572040683.db2.gz LLZYNUGSFRRLCU-CMPLNLGQSA-N 0 0 198.354 2.691 10 0 AFAERN CC1=CCCC(C)(C)[C@H]1/C=C/CO 33844672 572040733 /nfs/dbraw/zinc/04/07/33/572040733.db2.gz XFXXEQAYHOHEQN-ZRQQLDRUSA-N 0 0 180.291 2.917 10 0 AFAERN CC(C)(C)NC(=S)c1ccccc1 33843546 572040810 /nfs/dbraw/zinc/04/08/10/572040810.db2.gz DQTADMZQJTXGTQ-UHFFFAOYSA-N 0 0 193.315 2.750 10 0 AFAERN CC(C)(C)CCCn1cccc1CO 300904168 572040822 /nfs/dbraw/zinc/04/08/22/572040822.db2.gz RENUDCWDFRMPOJ-UHFFFAOYSA-N 0 0 195.306 2.807 10 0 AFAERN CCOC(CCSCC)OCC 82486712 572040899 /nfs/dbraw/zinc/04/08/99/572040899.db2.gz FKQZNNJHVDPBJU-UHFFFAOYSA-N 0 0 192.324 2.529 10 0 AFAERN CCCc1c[nH]c2ncccc12 33844910 572041005 /nfs/dbraw/zinc/04/10/05/572041005.db2.gz YWXDVTRSPRHHFR-UHFFFAOYSA-N 0 0 160.220 2.515 10 0 AFAERN CC[C@H](C(C)C)n1cn[nH]c1=S 42591592 572041027 /nfs/dbraw/zinc/04/10/27/572041027.db2.gz GUKURRDUUMRYJS-SSDOTTSWSA-N 0 0 185.296 2.548 10 0 AFAERN CSCC[C@@H](O)C1=CCCCC1 235043316 572041699 /nfs/dbraw/zinc/04/16/99/572041699.db2.gz NMZXYQPZVODGKJ-SNVBAGLBSA-N 0 0 186.320 2.601 10 0 AFAERN C[C@@H]1CCC[C@]2(C)CC[C@@H](O)C[C@@H]12 15274275 572041787 /nfs/dbraw/zinc/04/17/87/572041787.db2.gz MIVRQKTZEMHECK-WISYIIOYSA-N 0 0 182.307 2.974 10 0 AFAERN [NH3+][C@H](CCCC(F)F)c1ccco1 687884303 572041816 /nfs/dbraw/zinc/04/18/16/572041816.db2.gz QCLAGMVCEAPKLJ-SSDOTTSWSA-N 0 0 189.205 2.715 10 0 AFAERN CC(C)CCSC[C@@H](O)C(C)C 300911421 572041966 /nfs/dbraw/zinc/04/19/66/572041966.db2.gz RVEXRRUEWSTPIU-SNVBAGLBSA-N 0 0 190.352 2.783 10 0 AFAERN CC(C)C[C@@H](C)Cc1cnc(N)s1 300913685 572041990 /nfs/dbraw/zinc/04/19/90/572041990.db2.gz MDKOLHQPNAQQKE-MRVPVSSYSA-N 0 0 198.335 2.950 10 0 AFAERN CCC(CC)CO[C@@H]1CC(=O)C1(C)C 300909577 572042062 /nfs/dbraw/zinc/04/20/62/572042062.db2.gz XPEXDGPUEINIRO-LLVKDONJSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)CCSC[C@H](O)C(C)C 300911419 572042206 /nfs/dbraw/zinc/04/22/06/572042206.db2.gz RVEXRRUEWSTPIU-JTQLQIEISA-N 0 0 190.352 2.783 10 0 AFAERN CCC(CC)CO[C@H]1CCC(=O)C1 300911754 572042326 /nfs/dbraw/zinc/04/23/26/572042326.db2.gz XXJCIEQTUWXOPK-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCC(CC)CO[C@H]1CC(=O)C1(C)C 300909579 572042459 /nfs/dbraw/zinc/04/24/59/572042459.db2.gz XPEXDGPUEINIRO-NSHDSACASA-N 0 0 198.306 2.807 10 0 AFAERN c1ccn(C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 82528075 572042498 /nfs/dbraw/zinc/04/24/98/572042498.db2.gz VQHNOWWHNYNLJY-TUAOUCFPSA-N 0 0 175.275 2.924 10 0 AFAERN c1ccn(C[C@H]2C[C@H]3CC[C@@H]2C3)c1 82528076 572042993 /nfs/dbraw/zinc/04/29/93/572042993.db2.gz VQHNOWWHNYNLJY-QJPTWQEYSA-N 0 0 175.275 2.924 10 0 AFAERN Cc1cc(C)c(CCCCO)c(C)c1 36156820 572043146 /nfs/dbraw/zinc/04/31/46/572043146.db2.gz UTFHURNXJFKAQC-UHFFFAOYSA-N 0 0 192.302 2.927 10 0 AFAERN CC[C@@H](Nc1ccn(CC)n1)C1CC1 300913223 572043192 /nfs/dbraw/zinc/04/31/92/572043192.db2.gz SBNMIHYOHJUVQT-SNVBAGLBSA-N 0 0 193.294 2.504 10 0 AFAERN CC(C)(C)c1ncc2ccccc2n1 113568195 572043589 /nfs/dbraw/zinc/04/35/89/572043589.db2.gz DACJPBZSRPHVNN-UHFFFAOYSA-N 0 0 186.258 2.927 10 0 AFAERN CCOc1ccc([C@H](O)C2CC2)cc1 36156762 572043952 /nfs/dbraw/zinc/04/39/52/572043952.db2.gz UUNIVDXKHIYPGS-GFCCVEGCSA-N 0 0 192.258 2.529 10 0 AFAERN CCC(=O)[C@@H](C)OCC(CC)CC 300914930 572043971 /nfs/dbraw/zinc/04/39/71/572043971.db2.gz YNOGHRYYWHOJOU-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN CCCC[C@H](C)[C@H](NN)[C@H](C)CC 300916057 572043977 /nfs/dbraw/zinc/04/39/77/572043977.db2.gz KOEMEGQJWPRVTL-OUAUKWLOSA-N 0 0 186.343 2.691 10 0 AFAERN CSCCC[C@@H](O)CCC1CC1 235054777 572044003 /nfs/dbraw/zinc/04/40/03/572044003.db2.gz NVDPUGVWIKYOSR-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN Cc1coc(C(C)C)c1 33951215 572044706 /nfs/dbraw/zinc/04/47/06/572044706.db2.gz XXHLMTXBXFBYGM-UHFFFAOYSA-N 0 0 124.183 2.711 10 0 AFAERN CC/C(C)=C\C=C\C(C)(C)O 33953274 572044392 /nfs/dbraw/zinc/04/43/92/572044392.db2.gz BOGURUDKGWMRHN-FFELTBSMSA-N 0 0 154.253 2.670 10 0 AFAERN O=C(C[C@H]1CC=CCC1)C(F)F 402193429 572045053 /nfs/dbraw/zinc/04/50/53/572045053.db2.gz IHSSXFCPWBKHPZ-ZETCQYMHSA-N 0 0 174.190 2.567 10 0 AFAERN CCCOc1cc(SC)ccc1N 82523904 572044479 /nfs/dbraw/zinc/04/44/79/572044479.db2.gz WDAYAENLCLTVNY-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN Cc1cc(C(=O)CCC2CC2)ccn1 235839340 572044607 /nfs/dbraw/zinc/04/46/07/572044607.db2.gz WKJKLAQKVUHMPE-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN Cc1cc2n(n1)[C@H](C(C)(C)C)CCN2 235841417 572044614 /nfs/dbraw/zinc/04/46/14/572044614.db2.gz QDUPSQSOASOWHX-VIFPVBQESA-N 0 0 193.294 2.594 10 0 AFAERN CCOc1cc(SCC)ccc1N 82523869 572044667 /nfs/dbraw/zinc/04/46/67/572044667.db2.gz CPBZVBITZYHZEU-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN C[C@H](c1ccccc1[S-])[NH+](C)C 33943363 572044750 /nfs/dbraw/zinc/04/47/50/572044750.db2.gz VJMIMNPPYKERKN-MRVPVSSYSA-N 0 0 181.304 2.598 10 0 AFAERN CCCC[C@H](C)[C@H](NN)[C@@H](C)CC 300916055 572045141 /nfs/dbraw/zinc/04/51/41/572045141.db2.gz KOEMEGQJWPRVTL-GARJFASQSA-N 0 0 186.343 2.691 10 0 AFAERN COCc1ccc(NCCCF)cc1 300916094 572045292 /nfs/dbraw/zinc/04/52/92/572045292.db2.gz SSPPHZHDXFGGES-UHFFFAOYSA-N 0 0 197.253 2.605 10 0 AFAERN F/C=C(\F)c1ccccc1 114308210 572045352 /nfs/dbraw/zinc/04/53/52/572045352.db2.gz MRYRJRWSHBRIDR-VURMDHGXSA-N 0 0 140.132 2.924 10 0 AFAERN Nc1ccc(-c2ccccc2C=O)cc1 114303192 572045462 /nfs/dbraw/zinc/04/54/62/572045462.db2.gz XPUKMQCELHVPLR-UHFFFAOYSA-N 0 0 197.237 2.748 10 0 AFAERN CCCC[C@H](C)[C@@H](NN)[C@@H](C)CC 300916053 572045523 /nfs/dbraw/zinc/04/55/23/572045523.db2.gz KOEMEGQJWPRVTL-DCAQKATOSA-N 0 0 186.343 2.691 10 0 AFAERN CCCC[C@H](C)[C@@H](NN)[C@H](C)CC 300916060 572045535 /nfs/dbraw/zinc/04/55/35/572045535.db2.gz KOEMEGQJWPRVTL-VWYCJHECSA-N 0 0 186.343 2.691 10 0 AFAERN COc1ccc(C)c(NCCCF)c1 300917893 572045564 /nfs/dbraw/zinc/04/55/64/572045564.db2.gz SZUSCGRAYPNTPU-UHFFFAOYSA-N 0 0 197.253 2.775 10 0 AFAERN C/C=C1/C[C@@H]2C[C@H]1[C@H]1CCCO[C@H]21 33955092 572045956 /nfs/dbraw/zinc/04/59/56/572045956.db2.gz UBALJTRHSDXCPY-HDFAKOGWSA-N 0 0 178.275 2.768 10 0 AFAERN C[C@@H](c1ccccc1[S-])[NH+](C)C 33943362 572046047 /nfs/dbraw/zinc/04/60/47/572046047.db2.gz VJMIMNPPYKERKN-QMMMGPOBSA-N 0 0 181.304 2.598 10 0 AFAERN CCC(=O)[C@H](C)OCC(CC)CC 300914931 572046050 /nfs/dbraw/zinc/04/60/50/572046050.db2.gz YNOGHRYYWHOJOU-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN CC(=O)CCCOc1ccc(F)cc1 37330196 572046186 /nfs/dbraw/zinc/04/61/86/572046186.db2.gz OGPUWSANXBJYCQ-UHFFFAOYSA-N 0 0 196.221 2.574 10 0 AFAERN CCN[C@H](c1occc1C)C(F)F 687703850 572046211 /nfs/dbraw/zinc/04/62/11/572046211.db2.gz OHPSCBSTSQDXCX-SSDOTTSWSA-N 0 0 189.205 2.504 10 0 AFAERN Cc1cc2n(n1)[C@@H](C(C)(C)C)CCN2 235841513 572046257 /nfs/dbraw/zinc/04/62/57/572046257.db2.gz QDUPSQSOASOWHX-SECBINFHSA-N 0 0 193.294 2.594 10 0 AFAERN CC(=O)CCCOc1ccccc1F 37330127 572046462 /nfs/dbraw/zinc/04/64/62/572046462.db2.gz OJVYURYBMVOQEY-UHFFFAOYSA-N 0 0 196.221 2.574 10 0 AFAERN CC(=O)CCCO[C@H]1CCC[C@H](C)C1 37330693 572046466 /nfs/dbraw/zinc/04/64/66/572046466.db2.gz LLWYNDLGZQRXJL-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1ccc2cc(C=O)ccc2c1 33986213 572046480 /nfs/dbraw/zinc/04/64/80/572046480.db2.gz WWIKFXPBGKBXLZ-UHFFFAOYSA-N 0 0 170.211 2.961 10 0 AFAERN CCCC[C@@H](C)c1[nH]nc(N)c1CC 300916910 572046536 /nfs/dbraw/zinc/04/65/36/572046536.db2.gz KQVAMWVEPPCLBX-MRVPVSSYSA-N 0 0 195.310 2.848 10 0 AFAERN CC(C)(C)[C@H](O)/C=C/c1ccccn1 33956787 572046665 /nfs/dbraw/zinc/04/66/65/572046665.db2.gz QDPUNAXSQSRDFV-WSKFYRRCSA-N 0 0 191.274 2.502 10 0 AFAERN CCC[C@H](C)Nc1ccn(CC)n1 300919593 572046731 /nfs/dbraw/zinc/04/67/31/572046731.db2.gz UCENHOMLONCCBR-VIFPVBQESA-N 0 0 181.283 2.504 10 0 AFAERN Cc1c(N)ccc(OC(C)C)c1C 71456671 572046780 /nfs/dbraw/zinc/04/67/80/572046780.db2.gz OBXUETIJSLJQLB-UHFFFAOYSA-N 0 0 179.263 2.673 10 0 AFAERN CCN[C@@H](c1occc1C)C(F)F 687703851 572046866 /nfs/dbraw/zinc/04/68/66/572046866.db2.gz OHPSCBSTSQDXCX-ZETCQYMHSA-N 0 0 189.205 2.504 10 0 AFAERN Oc1ccc([C@H]2CC=CCC2)c(O)c1 33992303 572046953 /nfs/dbraw/zinc/04/69/53/572046953.db2.gz WDPJTEAZTWWUPR-VIFPVBQESA-N 0 0 190.242 2.922 10 0 AFAERN Oc1ccc([C@@H]2CC=CCC2)c(O)c1 33992304 572046998 /nfs/dbraw/zinc/04/69/98/572046998.db2.gz WDPJTEAZTWWUPR-SECBINFHSA-N 0 0 190.242 2.922 10 0 AFAERN c1nc(CC2CCCCC2)c[nH]1 33961467 572047081 /nfs/dbraw/zinc/04/70/81/572047081.db2.gz RWBFCYZFACUBIZ-UHFFFAOYSA-N 0 0 164.252 2.533 10 0 AFAERN CSCCC[C@@H](O)CC1CCC1 402211840 572047338 /nfs/dbraw/zinc/04/73/38/572047338.db2.gz KASJRJOFZIAWKS-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CCCC[C@H](C)c1[nH]nc(N)c1CC 300916912 572047223 /nfs/dbraw/zinc/04/72/23/572047223.db2.gz KQVAMWVEPPCLBX-QMMMGPOBSA-N 0 0 195.310 2.848 10 0 AFAERN CCCc1[nH]c2ccccc2c1CO 33966227 572047506 /nfs/dbraw/zinc/04/75/06/572047506.db2.gz LXGIKKDAIHJCQO-UHFFFAOYSA-N 0 0 189.258 2.613 10 0 AFAERN CC(=O)CCCO[C@H]1CCCC[C@@H]1C 37329504 572047547 /nfs/dbraw/zinc/04/75/47/572047547.db2.gz WXWDLODVUGNTLI-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)(C)[C@H](O)/C=C/c1ccncc1 33956789 572047559 /nfs/dbraw/zinc/04/75/59/572047559.db2.gz LXYRDPILXHVBIP-SGUJLRQBSA-N 0 0 191.274 2.502 10 0 AFAERN Cc1c2cc(O)ccc2nn1C(C)C 219729082 572047640 /nfs/dbraw/zinc/04/76/40/572047640.db2.gz FLAWMIBVFFJLBV-UHFFFAOYSA-N 0 0 190.246 2.631 10 0 AFAERN CC(=O)CCCOc1cccc(F)c1 37330228 572047833 /nfs/dbraw/zinc/04/78/33/572047833.db2.gz YITCEYHZZAZSJZ-UHFFFAOYSA-N 0 0 196.221 2.574 10 0 AFAERN CCCOc1ccc(O)c(C)c1C 71456579 572047723 /nfs/dbraw/zinc/04/77/23/572047723.db2.gz SFUWKSGIIWTABY-UHFFFAOYSA-N 0 0 180.247 2.798 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](O)c1ncc[nH]1 300919056 572047987 /nfs/dbraw/zinc/04/79/87/572047987.db2.gz MSDKDOWRRDYELO-ZJUUUORDSA-N 0 0 196.294 2.515 10 0 AFAERN CCCOc1ccc(NC)cc1OC 71455588 572048262 /nfs/dbraw/zinc/04/82/62/572048262.db2.gz WFUQBEGNNJGUMI-UHFFFAOYSA-N 0 0 195.262 2.526 10 0 AFAERN CC(C)(C)[C@@H](O)/C=C/c1ccncc1 33956790 572048050 /nfs/dbraw/zinc/04/80/50/572048050.db2.gz LXYRDPILXHVBIP-ZWNMCFTASA-N 0 0 191.274 2.502 10 0 AFAERN Cc1cc(N)cnc1Nc1ccccc1 36226508 572048107 /nfs/dbraw/zinc/04/81/07/572048107.db2.gz VEZCAIBCZQZMPZ-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CC(=O)[C@@H](C)OCC1CCCCCC1 300916926 572048160 /nfs/dbraw/zinc/04/81/60/572048160.db2.gz KRENGLGZALWPAW-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1cc([C@H]2CCO[C@H](C)C2)ccn1 15782012 572048556 /nfs/dbraw/zinc/04/85/56/572048556.db2.gz JGQQEDOFILLSTK-PWSUYJOCSA-N 0 0 191.274 2.673 10 0 AFAERN C[C@@H](CC(F)F)CC1(CO)CCC1 687887783 572048619 /nfs/dbraw/zinc/04/86/19/572048619.db2.gz BMJDQWVUGZWPBA-QMMMGPOBSA-N 0 0 192.249 2.830 10 0 AFAERN CC(C)C[C@H](C)C[C@H](O)c1ncc[nH]1 300919053 572048703 /nfs/dbraw/zinc/04/87/03/572048703.db2.gz MSDKDOWRRDYELO-UWVGGRQHSA-N 0 0 196.294 2.515 10 0 AFAERN CCCOc1ccc(OC)c(NC)c1 71455432 572048743 /nfs/dbraw/zinc/04/87/43/572048743.db2.gz DRRKEIJYIWVLGR-UHFFFAOYSA-N 0 0 195.262 2.526 10 0 AFAERN CC1(c2ccncc2)CCSCC1 15782023 572048788 /nfs/dbraw/zinc/04/87/88/572048788.db2.gz KSKSPAMLCBEDRK-UHFFFAOYSA-N 0 0 193.315 2.866 10 0 AFAERN CCCOc1ccc(O)c(NCC)c1 71455153 572048804 /nfs/dbraw/zinc/04/88/04/572048804.db2.gz GTVOOWOSXYGUIQ-UHFFFAOYSA-N 0 0 195.262 2.613 10 0 AFAERN CC[C@H](CC(F)F)CC(C)(C)O 687887791 572048811 /nfs/dbraw/zinc/04/88/11/572048811.db2.gz BULFEMUEZNMOFG-SSDOTTSWSA-N 0 0 180.238 2.829 10 0 AFAERN CC(C)(C)[C@@H](O)/C=C/c1ccccn1 33956788 572048822 /nfs/dbraw/zinc/04/88/22/572048822.db2.gz QDPUNAXSQSRDFV-AEZGRPFRSA-N 0 0 191.274 2.502 10 0 AFAERN CC[C@H](C)[C@@H](O)CC1CCCC1 82561539 572050000 /nfs/dbraw/zinc/05/00/00/572050000.db2.gz RQUSFGHZHOBDKX-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H](C)Nc1ccn(CC)n1 300919590 572048830 /nfs/dbraw/zinc/04/88/30/572048830.db2.gz UCENHOMLONCCBR-SECBINFHSA-N 0 0 181.283 2.504 10 0 AFAERN Cc1ccc(N)c(Nc2ccccc2)n1 36243065 572048861 /nfs/dbraw/zinc/04/88/61/572048861.db2.gz MTHFOXUPFQTKJZ-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN C[C@H](CC(F)F)CC1(CO)CCC1 687887781 572048889 /nfs/dbraw/zinc/04/88/89/572048889.db2.gz BMJDQWVUGZWPBA-MRVPVSSYSA-N 0 0 192.249 2.830 10 0 AFAERN CC[C@@H](CC(F)F)CC(C)(C)O 687887792 572050004 /nfs/dbraw/zinc/05/00/04/572050004.db2.gz BULFEMUEZNMOFG-ZETCQYMHSA-N 0 0 180.238 2.829 10 0 AFAERN CCNc1cc(OCC)ccc1OC 71455376 572049042 /nfs/dbraw/zinc/04/90/42/572049042.db2.gz VZARFOFBBKHPBK-UHFFFAOYSA-N 0 0 195.262 2.526 10 0 AFAERN Cc1nc(Nc2ccccc2)ccc1N 36251726 572049104 /nfs/dbraw/zinc/04/91/04/572049104.db2.gz WTJAQJRLBRXTHW-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cc1cc([C@@H]2CCO[C@H](C)C2)ccn1 15782017 572049917 /nfs/dbraw/zinc/04/99/17/572049917.db2.gz JGQQEDOFILLSTK-ZYHUDNBSSA-N 0 0 191.274 2.673 10 0 AFAERN C1=C[C@H](Oc2ccccc2)CC1 34068955 572049144 /nfs/dbraw/zinc/04/91/44/572049144.db2.gz CFMGBUCHMHFADY-NSHDSACASA-N 0 0 160.216 2.784 10 0 AFAERN Nc1ccccc1Sn1cccc1 34061128 572049330 /nfs/dbraw/zinc/04/93/30/572049330.db2.gz RXQOHEBEHZLSRQ-UHFFFAOYSA-N 0 0 190.271 2.626 10 0 AFAERN CC(C)(C)CCC[C@H]1COCCC1=O 300920798 572049415 /nfs/dbraw/zinc/04/94/15/572049415.db2.gz TXBXWBGKUKGLIZ-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN CCCn1cc(C(=O)[C@@H](C)CC)cn1 82561282 572049481 /nfs/dbraw/zinc/04/94/81/572049481.db2.gz BDSURWFBJCKHQX-VIFPVBQESA-N 0 0 194.278 2.522 10 0 AFAERN Cc1cc([C@@H]2CCO[C@@H](C)C2)ccn1 15782019 572049520 /nfs/dbraw/zinc/04/95/20/572049520.db2.gz JGQQEDOFILLSTK-CMPLNLGQSA-N 0 0 191.274 2.673 10 0 AFAERN Cc1cc([C@H]2CCO[C@@H](C)C2)ccn1 15782015 572049536 /nfs/dbraw/zinc/04/95/36/572049536.db2.gz JGQQEDOFILLSTK-JQWIXIFHSA-N 0 0 191.274 2.673 10 0 AFAERN CC[C@@H](C)[C@@H](O)CCC(C)C 82561590 572049570 /nfs/dbraw/zinc/04/95/70/572049570.db2.gz FQMJENMZWSSTJC-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN CCN[C@H](c1ccoc1C)C(F)F 687703998 572049758 /nfs/dbraw/zinc/04/97/58/572049758.db2.gz YVKOCNPEDUGWFB-MRVPVSSYSA-N 0 0 189.205 2.504 10 0 AFAERN CC(C)(C)Cc1ccccc1CO 34060854 572049789 /nfs/dbraw/zinc/04/97/89/572049789.db2.gz QUUCKZPDGRBXNY-UHFFFAOYSA-N 0 0 178.275 2.768 10 0 AFAERN CC[C@H](C)C[C@H](O)[C@@H](C)CC 82561509 572049829 /nfs/dbraw/zinc/04/98/29/572049829.db2.gz XFUFFAQPWAGSDK-GUBZILKMSA-N 0 0 158.285 2.830 10 0 AFAERN C/C=C1/CCC(=O)[C@@]1(C)CCC(C)=O 206604990 572049853 /nfs/dbraw/zinc/04/98/53/572049853.db2.gz UTZLYMFPBUJAOG-JOTVYFQTSA-N 0 0 194.274 2.671 10 0 AFAERN Cc1cc(Nc2ccccc2)ncc1N 36251425 572049936 /nfs/dbraw/zinc/04/99/36/572049936.db2.gz WKSWWZJTRLQHOU-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CC[C@H](C)[C@@H](O)C[C@H](C)CC 82561508 572049942 /nfs/dbraw/zinc/04/99/42/572049942.db2.gz XFUFFAQPWAGSDK-UTLUCORTSA-N 0 0 158.285 2.830 10 0 AFAERN CC1=CCCC[C@@H]1Cc1c[nH]cn1 34027412 572050055 /nfs/dbraw/zinc/05/00/55/572050055.db2.gz GJWZDGWSJBERCY-SNVBAGLBSA-N 0 0 176.263 2.699 10 0 AFAERN CC[C@@H](C)[C@H](O)CCC(C)C 82561588 572050078 /nfs/dbraw/zinc/05/00/78/572050078.db2.gz FQMJENMZWSSTJC-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CCCOc1cc(C)c(O)c(C)c1 71456976 572050095 /nfs/dbraw/zinc/05/00/95/572050095.db2.gz IWKRQSGXRQBREF-UHFFFAOYSA-N 0 0 180.247 2.798 10 0 AFAERN CCCn1cc(C(=O)[C@H](C)CC)cn1 82561283 572050118 /nfs/dbraw/zinc/05/01/18/572050118.db2.gz BDSURWFBJCKHQX-SECBINFHSA-N 0 0 194.278 2.522 10 0 AFAERN CC1(C)C[C@H](O)[C@@H]2CC[C@]2(C)C1 34064927 572050140 /nfs/dbraw/zinc/05/01/40/572050140.db2.gz QBYGJIFLSINRLO-ATZCPNFKSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@H](C)[C@@H](O)CCC(C)C 82561591 572050172 /nfs/dbraw/zinc/05/01/72/572050172.db2.gz FQMJENMZWSSTJC-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN COc1ccc2c(c1)CCC(C)(C)N2 34070912 572050185 /nfs/dbraw/zinc/05/01/85/572050185.db2.gz KBZWOMHBZUSJAI-UHFFFAOYSA-N 0 0 191.274 2.832 10 0 AFAERN O=C(c1ccccc1)C1C2CC1C2 34060742 572050216 /nfs/dbraw/zinc/05/02/16/572050216.db2.gz OHDWQDXWIBNVEZ-UHFFFAOYSA-N 0 0 172.227 2.525 10 0 AFAERN COc1c(C)cc(Cl)c(C)c1O 71457084 572050385 /nfs/dbraw/zinc/05/03/85/572050385.db2.gz BNTJONNPOXUNDW-UHFFFAOYSA-N 0 0 186.638 2.671 10 0 AFAERN CC[C@@H](C)[C@H](O)CC1CCCC1 82561536 572050487 /nfs/dbraw/zinc/05/04/87/572050487.db2.gz RQUSFGHZHOBDKX-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCN[C@@H](c1ccoc1C)C(F)F 687703999 572050502 /nfs/dbraw/zinc/05/05/02/572050502.db2.gz YVKOCNPEDUGWFB-QMMMGPOBSA-N 0 0 189.205 2.504 10 0 AFAERN CC[C@H](C)[C@@H](O)c1cccc(OC)c1 82561491 572050514 /nfs/dbraw/zinc/05/05/14/572050514.db2.gz SQTJESXAEDJKCV-JOYOIKCWSA-N 0 0 194.274 2.775 10 0 AFAERN CC[C@@H](C)[C@H](O)c1cccc(OC)c1 82561488 572050516 /nfs/dbraw/zinc/05/05/16/572050516.db2.gz SQTJESXAEDJKCV-SKDRFNHKSA-N 0 0 194.274 2.775 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ccccc1OC 82561735 572050575 /nfs/dbraw/zinc/05/05/75/572050575.db2.gz XHWSBYZPMKMDDJ-JOYOIKCWSA-N 0 0 194.274 2.775 10 0 AFAERN CC1(C)C[C@H](O)[C@H]2CC[C@]2(C)C1 34064929 572050611 /nfs/dbraw/zinc/05/06/11/572050611.db2.gz QBYGJIFLSINRLO-WCABBAIRSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@H](C)[C@H](O)c1ccccc1OC 82561733 572050728 /nfs/dbraw/zinc/05/07/28/572050728.db2.gz XHWSBYZPMKMDDJ-CABZTGNLSA-N 0 0 194.274 2.775 10 0 AFAERN c1ccc2c(c1)CNc1ncccc1C2 238048262 572050755 /nfs/dbraw/zinc/05/07/55/572050755.db2.gz XJCBEGMUKLDPGG-UHFFFAOYSA-N 0 0 196.253 2.598 10 0 AFAERN CC(C)(C)CCC[C@@H]1COCCC1=O 300920800 572050757 /nfs/dbraw/zinc/05/07/57/572050757.db2.gz TXBXWBGKUKGLIZ-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ccccc1OC 82561734 572050765 /nfs/dbraw/zinc/05/07/65/572050765.db2.gz XHWSBYZPMKMDDJ-BXKDBHETSA-N 0 0 194.274 2.775 10 0 AFAERN CC[C@H](C)[C@H](O)CC1CCCC1 82561537 572050838 /nfs/dbraw/zinc/05/08/38/572050838.db2.gz RQUSFGHZHOBDKX-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)[C@@H](O)CC1CCCC1 82561538 572050874 /nfs/dbraw/zinc/05/08/74/572050874.db2.gz RQUSFGHZHOBDKX-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC1=CCCC[C@H]1Cc1c[nH]cn1 34027413 572050888 /nfs/dbraw/zinc/05/08/88/572050888.db2.gz GJWZDGWSJBERCY-JTQLQIEISA-N 0 0 176.263 2.699 10 0 AFAERN CC[C@H](C)[C@H](O)CCC(C)C 82561589 572050930 /nfs/dbraw/zinc/05/09/30/572050930.db2.gz FQMJENMZWSSTJC-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)C[C@@H](O)[C@@H](C)CC 82561511 572050948 /nfs/dbraw/zinc/05/09/48/572050948.db2.gz XFUFFAQPWAGSDK-LPEHRKFASA-N 0 0 158.285 2.830 10 0 AFAERN CCCc1ccc2[nH]cc(CO)c2c1 34049789 572050949 /nfs/dbraw/zinc/05/09/49/572050949.db2.gz OUKMWQUBWXGYBK-UHFFFAOYSA-N 0 0 189.258 2.613 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1cccc(OC)c1 82561490 572050950 /nfs/dbraw/zinc/05/09/50/572050950.db2.gz SQTJESXAEDJKCV-BXKDBHETSA-N 0 0 194.274 2.775 10 0 AFAERN CC[C@H](C)[C@H](O)C[C@H](C)CC 82561510 572050975 /nfs/dbraw/zinc/05/09/75/572050975.db2.gz XFUFFAQPWAGSDK-KXUCPTDWSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)[C@H](O)c1cccc(OC)c1 82561489 572051022 /nfs/dbraw/zinc/05/10/22/572051022.db2.gz SQTJESXAEDJKCV-CABZTGNLSA-N 0 0 194.274 2.775 10 0 AFAERN CSc1cc2ccccc2n1C 34060836 572051040 /nfs/dbraw/zinc/05/10/40/572051040.db2.gz IGYVCLGSKYBGTL-UHFFFAOYSA-N 0 0 177.272 2.900 10 0 AFAERN Oc1cccc(Cl)c1-n1cccc1 34061227 572051252 /nfs/dbraw/zinc/05/12/52/572051252.db2.gz HDYAHDZLJKEYSF-UHFFFAOYSA-N 0 0 193.633 2.836 10 0 AFAERN CCOc1ccc([C@H](O)CC)c(C)c1 71453398 572051616 /nfs/dbraw/zinc/05/16/16/572051616.db2.gz VUMZIDPXSRUXAD-GFCCVEGCSA-N 0 0 194.274 2.837 10 0 AFAERN CC(C)CCC(=O)c1ccc[nH]1 82564083 572051625 /nfs/dbraw/zinc/05/16/25/572051625.db2.gz TYAAUNHGTYEZLI-UHFFFAOYSA-N 0 0 165.236 2.634 10 0 AFAERN COc1ccc([C@@H]2CCO2)cc1Cl 219737458 572051648 /nfs/dbraw/zinc/05/16/48/572051648.db2.gz HHJHFARJDZSSEO-VIFPVBQESA-N 0 0 198.649 2.810 10 0 AFAERN CCCCC[C@@H](O)c1ccc[nH]1 82564392 572051852 /nfs/dbraw/zinc/05/18/52/572051852.db2.gz IXVMLPSIWLPPQG-SNVBAGLBSA-N 0 0 167.252 2.628 10 0 AFAERN CC[NH2+][C@@H](c1cc(C)c(C)o1)C1CC1 300921137 572051854 /nfs/dbraw/zinc/05/18/54/572051854.db2.gz UJPQNRNUNJXGSL-GFCCVEGCSA-N 0 0 193.290 2.957 10 0 AFAERN CC(=O)Cc1oc2ccccc2c1C 71452990 572051873 /nfs/dbraw/zinc/05/18/73/572051873.db2.gz VRGCVPTYCKKOJH-UHFFFAOYSA-N 0 0 188.226 2.873 10 0 AFAERN Cc1cc2c(c(C)c1O)CC(C)(C)O2 34076272 572051874 /nfs/dbraw/zinc/05/18/74/572051874.db2.gz DKVBGDUFUFFHOF-UHFFFAOYSA-N 0 0 192.258 2.723 10 0 AFAERN CCC1(CC)Oc2ccccc2O1 34079588 572051959 /nfs/dbraw/zinc/05/19/59/572051959.db2.gz GCCXFDGUUHJHIL-UHFFFAOYSA-N 0 0 178.231 2.974 10 0 AFAERN CCN(C(=O)OC(C)(C)C)C1(C)CC1 34076475 572051991 /nfs/dbraw/zinc/05/19/91/572051991.db2.gz CMTSCPKOADWVDP-UHFFFAOYSA-N 0 0 199.294 2.796 10 0 AFAERN CCC(CC)C(=O)c1ccc[nH]1 82564091 572052022 /nfs/dbraw/zinc/05/20/22/572052022.db2.gz RCPWUPRQHRIDMZ-UHFFFAOYSA-N 0 0 165.236 2.634 10 0 AFAERN CCCc1cc(C)cc(C)n1 34087161 572052097 /nfs/dbraw/zinc/05/20/97/572052097.db2.gz WDRRCGKOCHBEIS-UHFFFAOYSA-N 0 0 149.237 2.651 10 0 AFAERN O=C1CC[C@H]2C[C@H]2c2ccccc21 34075815 572052158 /nfs/dbraw/zinc/05/21/58/572052158.db2.gz STWOICPNKNWVIU-GZMMTYOYSA-N 0 0 172.227 2.767 10 0 AFAERN CCC(=O)CCC=C(C)C 34087475 572052214 /nfs/dbraw/zinc/05/22/14/572052214.db2.gz HEFCEAOQAPBGKX-UHFFFAOYSA-N 0 0 140.226 2.712 10 0 AFAERN O=C(c1cc[nH]c1)[C@@H]1C[C@H]2CC[C@@H]1C2 82564258 572052237 /nfs/dbraw/zinc/05/22/37/572052237.db2.gz FNRWSAOFNZLBIY-IQJOONFLSA-N 0 0 189.258 2.634 10 0 AFAERN CC(=O)CCCC1=CCCC1 34079857 572052259 /nfs/dbraw/zinc/05/22/59/572052259.db2.gz KBSPSKDTOFIEFA-UHFFFAOYSA-N 0 0 152.237 2.856 10 0 AFAERN Cc1c(C[C@@H](C)O)oc2ccccc12 71453013 572052417 /nfs/dbraw/zinc/05/24/17/572052417.db2.gz FXDCCZWPBHWIQQ-MRVPVSSYSA-N 0 0 190.242 2.665 10 0 AFAERN C/C=C(/OC)[C@@H](O)c1sccc1C 34085801 572052568 /nfs/dbraw/zinc/05/25/68/572052568.db2.gz XOUUHTRRJOEUNV-VGANXODHSA-N 0 0 198.287 2.640 10 0 AFAERN CCC[C@H](C)C(=O)c1ccc[nH]1 82564147 572052462 /nfs/dbraw/zinc/05/24/62/572052462.db2.gz FRFMVNGMCBZFBR-QMMMGPOBSA-N 0 0 165.236 2.634 10 0 AFAERN CC[NH2+][C@H](c1cc(C)c(C)o1)C1CC1 300921139 572052573 /nfs/dbraw/zinc/05/25/73/572052573.db2.gz UJPQNRNUNJXGSL-LBPRGKRZSA-N 0 0 193.290 2.957 10 0 AFAERN Cc1cc(OCC(C)C)ccc1O 71453495 572052711 /nfs/dbraw/zinc/05/27/11/572052711.db2.gz CJUPOELAHJQTEC-UHFFFAOYSA-N 0 0 180.247 2.735 10 0 AFAERN CNC(=O)C1=CC[C@@H](C(C)(C)C)CC1 34079574 572052725 /nfs/dbraw/zinc/05/27/25/572052725.db2.gz JPNVKGBEZLZVGX-SNVBAGLBSA-N 0 0 195.306 2.505 10 0 AFAERN CSCCOC1CCCCC1 206619986 572052743 /nfs/dbraw/zinc/05/27/43/572052743.db2.gz AMRATMSHDGHNOX-UHFFFAOYSA-N 0 0 174.309 2.699 10 0 AFAERN O=C(c1ccc[nH]1)[C@H]1C[C@H]2CC[C@@H]1C2 82564140 572052758 /nfs/dbraw/zinc/05/27/58/572052758.db2.gz LXRCDTQWMPVMBS-AEJSXWLSSA-N 0 0 189.258 2.634 10 0 AFAERN CC1=C(C)CC(O)(C(C)C)C1 34075578 572052769 /nfs/dbraw/zinc/05/27/69/572052769.db2.gz FVQHSNSGVSECFM-UHFFFAOYSA-N 0 0 154.253 2.504 10 0 AFAERN C/C=C(/OC)[C@H](O)c1sccc1C 34085799 572052865 /nfs/dbraw/zinc/05/28/65/572052865.db2.gz XOUUHTRRJOEUNV-SGDMMICCSA-N 0 0 198.287 2.640 10 0 AFAERN CC(=O)c1ccc2c(c1)NCCCC2 34076189 572052954 /nfs/dbraw/zinc/05/29/54/572052954.db2.gz AMAFLUXNBOSXGY-UHFFFAOYSA-N 0 0 189.258 2.637 10 0 AFAERN C[C@@H]1C(=O)O[C@@]1(C)C1CCCCC1 34076050 572053086 /nfs/dbraw/zinc/05/30/86/572053086.db2.gz GLAKRRNZCZGMOZ-LDYMZIIASA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)CCC(=O)c1cc[nH]c1 82564217 572053247 /nfs/dbraw/zinc/05/32/47/572053247.db2.gz AEUFVNQRGNFQJS-UHFFFAOYSA-N 0 0 165.236 2.634 10 0 AFAERN CCc1cc(Cl)c2onc(C)c2n1 34076404 572053262 /nfs/dbraw/zinc/05/32/62/572053262.db2.gz CAYSNGVIYCONAV-UHFFFAOYSA-N 0 0 196.637 2.747 10 0 AFAERN CCOc1ccc([C@@H](O)CC)c(C)c1 71453397 572053440 /nfs/dbraw/zinc/05/34/40/572053440.db2.gz VUMZIDPXSRUXAD-LBPRGKRZSA-N 0 0 194.274 2.837 10 0 AFAERN C[C@@H](O)C1(C[C@@H]2CC=CCC2)CC1 402206474 572053471 /nfs/dbraw/zinc/05/34/71/572053471.db2.gz KVSQIJOSSLIXSN-GHMZBOCLSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@H](C)c1noc(NCC(C)C)n1 82562833 572053608 /nfs/dbraw/zinc/05/36/08/572053608.db2.gz FDQUTEOAZIZVHT-QMMMGPOBSA-N 0 0 197.282 2.651 10 0 AFAERN CC(=O)CCC=C1CCCC1 34079858 572053626 /nfs/dbraw/zinc/05/36/26/572053626.db2.gz PQJPDBXYUUFDRK-UHFFFAOYSA-N 0 0 152.237 2.856 10 0 AFAERN CCOc1ccc(NC)c(OCC)c1 71452119 572053685 /nfs/dbraw/zinc/05/36/85/572053685.db2.gz BVKZZCJJWWBVCB-UHFFFAOYSA-N 0 0 195.262 2.526 10 0 AFAERN Cc1c(C[C@H](C)O)oc2ccccc12 71453014 572053734 /nfs/dbraw/zinc/05/37/34/572053734.db2.gz FXDCCZWPBHWIQQ-QMMMGPOBSA-N 0 0 190.242 2.665 10 0 AFAERN CCCCC[C@@H](O)c1cc[nH]c1 82564684 572053744 /nfs/dbraw/zinc/05/37/44/572053744.db2.gz WIVNAXQLUOWQIK-SNVBAGLBSA-N 0 0 167.252 2.628 10 0 AFAERN CCC[C@@H](C)C(=O)c1cc[nH]c1 82564263 572053767 /nfs/dbraw/zinc/05/37/67/572053767.db2.gz XNHLZYIJPVGQJG-MRVPVSSYSA-N 0 0 165.236 2.634 10 0 AFAERN CC1=CC(C)(C)C(=O)C(C)(C)C1 34088822 572053804 /nfs/dbraw/zinc/05/38/04/572053804.db2.gz BNMCDVQCTYJLBZ-UHFFFAOYSA-N 0 0 166.264 2.958 10 0 AFAERN CCC[C@@H](C)C(=O)c1ccc[nH]1 82564146 572053827 /nfs/dbraw/zinc/05/38/27/572053827.db2.gz FRFMVNGMCBZFBR-MRVPVSSYSA-N 0 0 165.236 2.634 10 0 AFAERN CNC(=O)C1=CC[C@H](C(C)(C)C)CC1 34079573 572053829 /nfs/dbraw/zinc/05/38/29/572053829.db2.gz JPNVKGBEZLZVGX-JTQLQIEISA-N 0 0 195.306 2.505 10 0 AFAERN [S-]c1ccccc1Cn1cccc1 34079332 572053850 /nfs/dbraw/zinc/05/38/50/572053850.db2.gz DQHKARVJROACJS-UHFFFAOYSA-N 0 0 189.283 2.825 10 0 AFAERN C=C(c1ccco1)c1ccco1 34075628 572053865 /nfs/dbraw/zinc/05/38/65/572053865.db2.gz KVRYHBOHWIZIMG-UHFFFAOYSA-N 0 0 160.172 2.934 10 0 AFAERN CCCCC[C@H](O)c1ccc[nH]1 82564391 572053933 /nfs/dbraw/zinc/05/39/33/572053933.db2.gz IXVMLPSIWLPPQG-JTQLQIEISA-N 0 0 167.252 2.628 10 0 AFAERN O=C(c1ccc[nH]1)[C@@H]1C[C@H]2CC[C@@H]1C2 82564139 572053957 /nfs/dbraw/zinc/05/39/57/572053957.db2.gz LXRCDTQWMPVMBS-IVZWLZJFSA-N 0 0 189.258 2.634 10 0 AFAERN CC[C@@H](C)c1noc(NCC(C)C)n1 82562832 572053968 /nfs/dbraw/zinc/05/39/68/572053968.db2.gz FDQUTEOAZIZVHT-MRVPVSSYSA-N 0 0 197.282 2.651 10 0 AFAERN Cc1ccc(C(=O)[C@H]2CC2(C)C)cn1 235843368 572053970 /nfs/dbraw/zinc/05/39/70/572053970.db2.gz CPVROPXXXLNMGE-SNVBAGLBSA-N 0 0 189.258 2.619 10 0 AFAERN O=C(c1cc[nH]c1)[C@H]1C[C@H]2CC[C@@H]1C2 82564259 572054060 /nfs/dbraw/zinc/05/40/60/572054060.db2.gz FNRWSAOFNZLBIY-NGZCFLSTSA-N 0 0 189.258 2.634 10 0 AFAERN Cc1ccnc2[nH]c(-c3ccoc3)nc12 82563746 572054191 /nfs/dbraw/zinc/05/41/91/572054191.db2.gz SUJVLVIADKWRSX-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN CCCCC[C@H](O)c1cc[nH]c1 82564683 572054211 /nfs/dbraw/zinc/05/42/11/572054211.db2.gz WIVNAXQLUOWQIK-JTQLQIEISA-N 0 0 167.252 2.628 10 0 AFAERN CCC[C@H](C)C(=O)c1cc[nH]c1 82564264 572054317 /nfs/dbraw/zinc/05/43/17/572054317.db2.gz XNHLZYIJPVGQJG-QMMMGPOBSA-N 0 0 165.236 2.634 10 0 AFAERN COc1ccc2c(c1)C[C@H](C)CCN2 219757313 572054530 /nfs/dbraw/zinc/05/45/30/572054530.db2.gz JLJFNFOZDBSRNG-SECBINFHSA-N 0 0 191.274 2.689 10 0 AFAERN COc1c(F)ccc2c1CC[C@@H](C)N2 34092601 572054574 /nfs/dbraw/zinc/05/45/74/572054574.db2.gz YVKFHAFFIMPXLI-SSDOTTSWSA-N 0 0 195.237 2.581 10 0 AFAERN CC(C)=C1C=C[C@H]2[C@@H]1C(=O)C2(C)C 196447595 572054587 /nfs/dbraw/zinc/05/45/87/572054587.db2.gz FDHLOXYZRZDXFU-VHSXEESVSA-N 0 0 176.259 2.734 10 0 AFAERN CC(C)=C1C=C[C@@H]2[C@@H]1C(=O)C2(C)C 196447589 572054799 /nfs/dbraw/zinc/05/47/99/572054799.db2.gz FDHLOXYZRZDXFU-NXEZZACHSA-N 0 0 176.259 2.734 10 0 AFAERN O=Cc1ccc2cccc-2cc1 34109180 572054892 /nfs/dbraw/zinc/05/48/92/572054892.db2.gz FNAUNNJXVNJAGT-UHFFFAOYSA-N 0 0 156.184 2.604 10 0 AFAERN COc1c(F)ccc2c1CC[C@H](C)N2 34092602 572054896 /nfs/dbraw/zinc/05/48/96/572054896.db2.gz YVKFHAFFIMPXLI-ZETCQYMHSA-N 0 0 195.237 2.581 10 0 AFAERN COc1ccc2c(c1)NC[C@H](C)CC2 219757973 572054918 /nfs/dbraw/zinc/05/49/18/572054918.db2.gz GGZOSYDPTHNFNI-SECBINFHSA-N 0 0 191.274 2.689 10 0 AFAERN Cc1cc(N)c2c(c1Cl)C[C@@H](C)O2 34110488 572055508 /nfs/dbraw/zinc/05/55/08/572055508.db2.gz UOVYYQCOQMGNES-ZCFIWIBFSA-N 0 0 197.665 2.554 10 0 AFAERN Cc1ccc(C)c(OC(C)C)c1N 71457273 572055855 /nfs/dbraw/zinc/05/58/55/572055855.db2.gz FEQRBNYDWYTXGB-UHFFFAOYSA-N 0 0 179.263 2.673 10 0 AFAERN O=Cc1ccccc2cccc1-2 34109178 572055997 /nfs/dbraw/zinc/05/59/97/572055997.db2.gz CTGDIWHSILYUNQ-UHFFFAOYSA-N 0 0 156.184 2.604 10 0 AFAERN CCc1cccc(C)c1OC 34104215 572056257 /nfs/dbraw/zinc/05/62/57/572056257.db2.gz OBFOSDNIIYYRFX-UHFFFAOYSA-N 0 0 150.221 2.566 10 0 AFAERN C[C@H]1C(=O)CCC12CCCC2 196452429 572056275 /nfs/dbraw/zinc/05/62/75/572056275.db2.gz POFJDIFMLFSWBM-QMMMGPOBSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ccc(C)c(OC(C)C)c1C[NH3+] 71457277 572056511 /nfs/dbraw/zinc/05/65/11/572056511.db2.gz AYNPHEIZPVRMOY-UHFFFAOYSA-N 0 0 193.290 2.549 10 0 AFAERN Cc1ccsc1[C@@H](O)C(C)C 42730780 572056516 /nfs/dbraw/zinc/05/65/16/572056516.db2.gz KRMYAUBDPFFRFJ-QMMMGPOBSA-N 0 0 170.277 2.746 10 0 AFAERN CC(C)=C1C=C[C@@H]2[C@H]1C(=O)C2(C)C 196447601 572056566 /nfs/dbraw/zinc/05/65/66/572056566.db2.gz FDHLOXYZRZDXFU-ZJUUUORDSA-N 0 0 176.259 2.734 10 0 AFAERN CC1(C)C=Cc2ccc(C=O)cc2O1 34115874 572056782 /nfs/dbraw/zinc/05/67/82/572056782.db2.gz WXVVDNMMRLMWGR-UHFFFAOYSA-N 0 0 188.226 2.683 10 0 AFAERN Cc1ccc([C@H]2CCCS2)nc1 34133323 572056792 /nfs/dbraw/zinc/05/67/92/572056792.db2.gz JXPSQSQUIUGVJC-SNVBAGLBSA-N 0 0 179.288 2.958 10 0 AFAERN Cc1ccsc1[C@H](O)C(C)C 42730777 572056796 /nfs/dbraw/zinc/05/67/96/572056796.db2.gz KRMYAUBDPFFRFJ-MRVPVSSYSA-N 0 0 170.277 2.746 10 0 AFAERN Cc1ccc(C)c(OC(C)C)c1O 71457275 572056803 /nfs/dbraw/zinc/05/68/03/572056803.db2.gz TUPAIHIRLKMXGB-UHFFFAOYSA-N 0 0 180.247 2.796 10 0 AFAERN O=C1CCC[C@H]1[C@H]1C=CC=CCC1 34139927 572056823 /nfs/dbraw/zinc/05/68/23/572056823.db2.gz QEZYGXJWWDAHHB-QWRGUYRKSA-N 0 0 176.259 2.878 10 0 AFAERN COCC(=O)C1(CC(C)C)CCCC1 229179880 572056904 /nfs/dbraw/zinc/05/69/04/572056904.db2.gz GQJSORFQIUWTAJ-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1ccc([C@@H]2CCCS2)nc1 34133322 572056905 /nfs/dbraw/zinc/05/69/05/572056905.db2.gz JXPSQSQUIUGVJC-JTQLQIEISA-N 0 0 179.288 2.958 10 0 AFAERN Cc1ccnc([C@@H]2CCCS2)c1 34133320 572056994 /nfs/dbraw/zinc/05/69/94/572056994.db2.gz NBJFGVBISUHCOW-JTQLQIEISA-N 0 0 179.288 2.958 10 0 AFAERN Cc1c(F)ccc2c1CC[C@@H](C)N2 34120540 572056997 /nfs/dbraw/zinc/05/69/97/572056997.db2.gz YTUDFSPYEQESOK-SSDOTTSWSA-N 0 0 179.238 2.881 10 0 AFAERN O=C1CCC[C@@H]1[C@@H]1C=CC=CCC1 34139928 572057021 /nfs/dbraw/zinc/05/70/21/572057021.db2.gz QEZYGXJWWDAHHB-GHMZBOCLSA-N 0 0 176.259 2.878 10 0 AFAERN O=C1CCC[C@H]1[C@@H]1C=CC=CCC1 34139929 572057134 /nfs/dbraw/zinc/05/71/34/572057134.db2.gz QEZYGXJWWDAHHB-MNOVXSKESA-N 0 0 176.259 2.878 10 0 AFAERN O=C1CCC[C@@H]1[C@H]1C=CC=CCC1 34139926 572057141 /nfs/dbraw/zinc/05/71/41/572057141.db2.gz QEZYGXJWWDAHHB-WDEREUQCSA-N 0 0 176.259 2.878 10 0 AFAERN C[C@@H]1C(=O)CCC12CCCC2 196452418 572057154 /nfs/dbraw/zinc/05/71/54/572057154.db2.gz POFJDIFMLFSWBM-MRVPVSSYSA-N 0 0 152.237 2.546 10 0 AFAERN Cln1ccc2ccccc21 34128292 572057216 /nfs/dbraw/zinc/05/72/16/572057216.db2.gz QZOPRMWFYVGPAI-UHFFFAOYSA-N 0 0 151.596 2.643 10 0 in-vitro AFAERN C=Cc1ccc2c(ccn2C)c1 34139959 572057237 /nfs/dbraw/zinc/05/72/37/572057237.db2.gz GPHGDOPLVTVWBU-UHFFFAOYSA-N 0 0 157.216 2.821 10 0 AFAERN C[C@H]1C(=O)CCC12CCCCC2 196452456 572057254 /nfs/dbraw/zinc/05/72/54/572057254.db2.gz SAXLSNUMYXRMFO-VIFPVBQESA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CCC[C@H]1C1C=CCCC=C1 34139920 572057302 /nfs/dbraw/zinc/05/73/02/572057302.db2.gz GFTQSNBRVNDQLY-NSHDSACASA-N 0 0 176.259 2.878 10 0 AFAERN CC1CCC(C=O)CC1 100420301 572057470 /nfs/dbraw/zinc/05/74/70/572057470.db2.gz IBQDLFQOTUPMRE-UHFFFAOYSA-N 0 0 126.199 2.638 10 0 AFAERN OC[C@H]1CC=CC[C@@H]1c1ccccc1 34127907 572057762 /nfs/dbraw/zinc/05/77/62/572057762.db2.gz GSRCPJPSWRUYOS-CHWSQXEVSA-N 0 0 188.270 2.729 10 0 AFAERN CNc1c(C)c(C)cc(C)c1C 71463256 572057802 /nfs/dbraw/zinc/05/78/02/572057802.db2.gz LKVIHPVVRLKOOI-UHFFFAOYSA-N 0 0 163.264 2.962 10 0 AFAERN CCNc1cc(CC)ccc1OC 71464029 572057806 /nfs/dbraw/zinc/05/78/06/572057806.db2.gz SYZYAABAIRZYAD-UHFFFAOYSA-N 0 0 179.263 2.689 10 0 AFAERN CC/C=C(\C)[C@@H](O)CCC 34122675 572057809 /nfs/dbraw/zinc/05/78/09/572057809.db2.gz RYIWDHRUNBWJCQ-ORZBULNSSA-N 0 0 142.242 2.504 10 0 AFAERN Cc1ccnc([C@H]2CCCS2)c1 34133321 572057887 /nfs/dbraw/zinc/05/78/87/572057887.db2.gz NBJFGVBISUHCOW-SNVBAGLBSA-N 0 0 179.288 2.958 10 0 AFAERN OC[C@H]1CC=CC[C@H]1c1ccccc1 34127905 572057968 /nfs/dbraw/zinc/05/79/68/572057968.db2.gz GSRCPJPSWRUYOS-OLZOCXBDSA-N 0 0 188.270 2.729 10 0 AFAERN Cc1ccc(C)c(C(=O)C2CC2)c1O 71462813 572058002 /nfs/dbraw/zinc/05/80/02/572058002.db2.gz BHLRKEQFLNNETR-UHFFFAOYSA-N 0 0 190.242 2.602 10 0 AFAERN CCCOc1ccc(N)c(CC)c1 71463393 572058085 /nfs/dbraw/zinc/05/80/85/572058085.db2.gz JOIFAJADWHOFGD-UHFFFAOYSA-N 0 0 179.263 2.620 10 0 AFAERN CC(C)=CCOc1ccccc1N 34115660 572058087 /nfs/dbraw/zinc/05/80/87/572058087.db2.gz GPSKTAHMCNUJPC-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN Cc1cc(F)c(Cl)nc1Cl 34120890 572058149 /nfs/dbraw/zinc/05/81/49/572058149.db2.gz MLLNKLGZTFCNLX-UHFFFAOYSA-N 0 0 180.009 2.836 10 0 AFAERN Cc1cccc([C@H]2CCCS2)n1 34133326 572058139 /nfs/dbraw/zinc/05/81/39/572058139.db2.gz OQGOBPLAUUHRTM-SNVBAGLBSA-N 0 0 179.288 2.958 10 0 AFAERN Cc1cccc([C@@H]2CCCS2)n1 34133325 572058227 /nfs/dbraw/zinc/05/82/27/572058227.db2.gz OQGOBPLAUUHRTM-JTQLQIEISA-N 0 0 179.288 2.958 10 0 AFAERN CC[C@H](C)c1cccc(C(C)=O)n1 34115661 572058302 /nfs/dbraw/zinc/05/83/02/572058302.db2.gz BSNFMBOEZDSJRY-QMMMGPOBSA-N 0 0 177.247 2.798 10 0 AFAERN CCNc1cc(C)cc(C)c1OC 71463597 572058382 /nfs/dbraw/zinc/05/83/82/572058382.db2.gz NYDOFUHLOPBMFD-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN Cc1cc(C)cc(CC(C)(C)CO)c1 34156592 572058811 /nfs/dbraw/zinc/05/88/11/572058811.db2.gz FPEWDZKCGAMRRF-UHFFFAOYSA-N 0 0 192.302 2.864 10 0 AFAERN C=CC(=O)N(CC)c1ccccc1C 36334155 572058697 /nfs/dbraw/zinc/05/86/97/572058697.db2.gz AWFUETBRCYYLFJ-UHFFFAOYSA-N 0 0 189.258 2.534 10 0 AFAERN CCCC(=O)c1ccc(O)cc1CC 71463498 572058813 /nfs/dbraw/zinc/05/88/13/572058813.db2.gz USNDBAJDPXFYKP-UHFFFAOYSA-N 0 0 192.258 2.937 10 0 AFAERN CCc1ccc(OC)c([C@@H](O)CC)c1 71464041 572058703 /nfs/dbraw/zinc/05/87/03/572058703.db2.gz DKUGOBVEXDKATI-NSHDSACASA-N 0 0 194.274 2.701 10 0 AFAERN CCOc1ccc(CC)cc1NC 71463985 572058911 /nfs/dbraw/zinc/05/89/11/572058911.db2.gz NUVQHIWVZIUTGV-UHFFFAOYSA-N 0 0 179.263 2.689 10 0 AFAERN CC(=O)C(C)(C)C(C)(C)Cl 34151881 572058921 /nfs/dbraw/zinc/05/89/21/572058921.db2.gz JFHYIMAICPYGQC-UHFFFAOYSA-N 0 0 162.660 2.619 10 0 AFAERN CCOc1ccc(NC)c(CC)c1 71463347 572058950 /nfs/dbraw/zinc/05/89/50/572058950.db2.gz GIRIVJCMAOMPDJ-UHFFFAOYSA-N 0 0 179.263 2.689 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@H](C)CC2 34172388 572058952 /nfs/dbraw/zinc/05/89/52/572058952.db2.gz YVTLSNHLTSTAHQ-SECBINFHSA-N 0 0 174.243 2.760 10 0 AFAERN CC1C[C@H](C)C([C@@H](C)O)[C@@H](C)C1 34140314 572058982 /nfs/dbraw/zinc/05/89/82/572058982.db2.gz QQQNAFHSOVBGIV-PETCMJGMSA-N 0 0 170.296 2.686 10 0 AFAERN C/C=C/C=C\[C@@H](O)CCCC 78064000 572059026 /nfs/dbraw/zinc/05/90/26/572059026.db2.gz UTBYGUXRTIARHU-JURUCKPQSA-N 0 0 154.253 2.670 10 0 AFAERN CCCOC1CCCCC1 34165539 572059075 /nfs/dbraw/zinc/05/90/75/572059075.db2.gz MAHQPELWLUTHNP-UHFFFAOYSA-N 0 0 142.242 2.746 10 0 AFAERN CC(=O)[C@@]1(Cl)CCC=C(C)C1 34153380 572059082 /nfs/dbraw/zinc/05/90/82/572059082.db2.gz VDPSIAPAVJHOSO-SECBINFHSA-N 0 0 172.655 2.683 10 0 AFAERN CCOc1ccc(F)cc1[C@H](O)CC 71464775 572059087 /nfs/dbraw/zinc/05/90/87/572059087.db2.gz LFLGCIRYNCJMGK-SNVBAGLBSA-N 0 0 198.237 2.668 10 0 AFAERN CCOc1ccc(F)cc1[C@@H](O)CC 71464774 572059117 /nfs/dbraw/zinc/05/91/17/572059117.db2.gz LFLGCIRYNCJMGK-JTQLQIEISA-N 0 0 198.237 2.668 10 0 AFAERN CC(=O)[C@]1(Cl)CCC=C(C)C1 34153381 572059297 /nfs/dbraw/zinc/05/92/97/572059297.db2.gz VDPSIAPAVJHOSO-VIFPVBQESA-N 0 0 172.655 2.683 10 0 AFAERN O=C1CCCCC[C@H]1CCOC1CC1 711657980 572059367 /nfs/dbraw/zinc/05/93/67/572059367.db2.gz JLVQINOBUWAWCS-JTQLQIEISA-N 0 0 196.290 2.705 10 0 AFAERN CCCC(OC(C)C)OC(C)C 149780531 572059373 /nfs/dbraw/zinc/05/93/73/572059373.db2.gz QOJSNHMWGGZTDQ-UHFFFAOYSA-N 0 0 174.284 2.963 10 0 AFAERN Cc1cccc(CC(C)(C)[C@@H](C)O)c1 34156589 572059424 /nfs/dbraw/zinc/05/94/24/572059424.db2.gz DNYMVYUEVAHJJY-LLVKDONJSA-N 0 0 192.302 2.945 10 0 AFAERN CCNc1ccc(OC)cc1CC 71463293 572059482 /nfs/dbraw/zinc/05/94/82/572059482.db2.gz TZLHWZWWWXRIDA-UHFFFAOYSA-N 0 0 179.263 2.689 10 0 AFAERN CC(C)[C@H](O)/C=C/C(C)(C)C 34172730 572059496 /nfs/dbraw/zinc/05/94/96/572059496.db2.gz YADHARZUYPKVCM-XCODYQFDSA-N 0 0 156.269 2.606 10 0 AFAERN CCOc1c(C)cc(C)cc1NC 71463624 572059546 /nfs/dbraw/zinc/05/95/46/572059546.db2.gz RLUZCEVDHJDOHY-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CCCOc1ccc(O)c(CC)c1 71463395 572059565 /nfs/dbraw/zinc/05/95/65/572059565.db2.gz WNNMDHWULNOOSX-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN CCOc1ccc(CC)cc1[C@H](C)O 71463996 572059731 /nfs/dbraw/zinc/05/97/31/572059731.db2.gz HTLCKDCZKWHQJL-VIFPVBQESA-N 0 0 194.274 2.701 10 0 AFAERN CCOc1c(C)cc(C)cc1[C@H](C)O 71463635 572059949 /nfs/dbraw/zinc/05/99/49/572059949.db2.gz YFGRHTTYKYOWEO-JTQLQIEISA-N 0 0 194.274 2.755 10 0 AFAERN CC(C)[C@@H](O)/C=C/C(C)(C)C 34172731 572059948 /nfs/dbraw/zinc/05/99/48/572059948.db2.gz YADHARZUYPKVCM-UCUJLANTSA-N 0 0 156.269 2.606 10 0 AFAERN CCCOc1ccc(F)cc1NC 71464858 572059952 /nfs/dbraw/zinc/05/99/52/572059952.db2.gz ZYEDLEXACBQWQO-UHFFFAOYSA-N 0 0 183.226 2.656 10 0 AFAERN Cc1cc(C)c(Cl)c(O)c1C 34173618 572059967 /nfs/dbraw/zinc/05/99/67/572059967.db2.gz DCOBUDWWTMUTKM-UHFFFAOYSA-N 0 0 170.639 2.971 10 0 AFAERN CC1=Nc2ccc(O)cc2C1(C)C 34173475 572059998 /nfs/dbraw/zinc/05/99/98/572059998.db2.gz JNXWKNHPQJCSHO-UHFFFAOYSA-N 0 0 175.231 2.776 10 0 AFAERN CCOc1c(C)cc(C)cc1[C@@H](C)O 71463634 572060066 /nfs/dbraw/zinc/06/00/66/572060066.db2.gz YFGRHTTYKYOWEO-SNVBAGLBSA-N 0 0 194.274 2.755 10 0 AFAERN CCOc1ccc(NC)c(Cl)c1 71463791 572060070 /nfs/dbraw/zinc/06/00/70/572060070.db2.gz ZAHWQKWLRIFCST-UHFFFAOYSA-N 0 0 185.654 2.780 10 0 AFAERN Cc1cc2[nH]c(=S)[nH]c2cc1F 34144147 572060102 /nfs/dbraw/zinc/06/01/02/572060102.db2.gz ZISYPNQQIIJWLS-UHFFFAOYSA-N 0 0 182.223 2.673 10 0 AFAERN Cc1cc(C)c(OC(C)C)c(O)c1 71463670 572060257 /nfs/dbraw/zinc/06/02/57/572060257.db2.gz HOPVMLLANMBBEH-UHFFFAOYSA-N 0 0 180.247 2.796 10 0 AFAERN Cc1cc(C)n2cccc2c1 34171701 572060271 /nfs/dbraw/zinc/06/02/71/572060271.db2.gz MFJFABNCHMQWQY-UHFFFAOYSA-N 0 0 145.205 2.556 10 0 AFAERN CCOc1ccc([C@H](C)O)c(CC)c1 71463358 572060382 /nfs/dbraw/zinc/06/03/82/572060382.db2.gz URNOYFRCTYHIRO-VIFPVBQESA-N 0 0 194.274 2.701 10 0 AFAERN CCc1ccc(OC)c([C@H](O)CC)c1 71464040 572060462 /nfs/dbraw/zinc/06/04/62/572060462.db2.gz DKUGOBVEXDKATI-LLVKDONJSA-N 0 0 194.274 2.701 10 0 AFAERN c1ccc2c3c(ncc2c1)CCCN3 34163049 572060502 /nfs/dbraw/zinc/06/05/02/572060502.db2.gz QYUGWEHQNNCGPC-UHFFFAOYSA-N 0 0 184.242 2.593 10 0 AFAERN Cc1cc(C(C)(C)C)cc(C)n1 34157234 572060557 /nfs/dbraw/zinc/06/05/57/572060557.db2.gz GMSGGXMEFRQWFP-UHFFFAOYSA-N 0 0 163.264 2.996 10 0 AFAERN O=C(Nc1ccccc1)n1cccc1 34160753 572060562 /nfs/dbraw/zinc/06/05/62/572060562.db2.gz JACHCGZBVKADQE-UHFFFAOYSA-N 0 0 186.214 2.568 10 0 AFAERN CC1(C)CCCC(C)(C)N1F 34153812 572060637 /nfs/dbraw/zinc/06/06/37/572060637.db2.gz IAGAXCKIHGRIDK-UHFFFAOYSA-N 0 0 159.248 2.914 10 0 AFAERN Oc1cccc2c1CCCCC2 34172908 572060687 /nfs/dbraw/zinc/06/06/87/572060687.db2.gz SNXQMPMXKRXMPZ-UHFFFAOYSA-N 0 0 162.232 2.661 10 0 AFAERN CC(C)=C(C)CC[C@@H](C)O 34172259 572060720 /nfs/dbraw/zinc/06/07/20/572060720.db2.gz CGNMKTBNAPKVSZ-SECBINFHSA-N 0 0 142.242 2.504 10 0 AFAERN O=C1CCCCCC[C@@H]2C[C@@H]12 196445910 572060742 /nfs/dbraw/zinc/06/07/42/572060742.db2.gz UBKCCNQDDGWBJW-RKDXNWHRSA-N 0 0 152.237 2.546 10 0 AFAERN CCn1ccc2cc(C)ccc21 34144196 572060827 /nfs/dbraw/zinc/06/08/27/572060827.db2.gz IDJMXLZWPCJZKS-UHFFFAOYSA-N 0 0 159.232 2.970 10 0 AFAERN CC1(C)CCCCC(C)(C)C1O 34154266 572060838 /nfs/dbraw/zinc/06/08/38/572060838.db2.gz JOXAXZIMNNFUTC-UHFFFAOYSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C(=O)CCc1cccs1 36683804 572060916 /nfs/dbraw/zinc/06/09/16/572060916.db2.gz YCAXWNFJDUGLIJ-UHFFFAOYSA-N 0 0 182.288 2.906 10 0 AFAERN CC1=CC[C@H]([C@@H](C)CO)C1(C)C 34179566 572061002 /nfs/dbraw/zinc/06/10/02/572061002.db2.gz UKKMUBJAFXZAES-WCBMZHEXSA-N 0 0 168.280 2.607 10 0 AFAERN O[C@@H]1CCCSc2ccsc21 34186175 572061045 /nfs/dbraw/zinc/06/10/45/572061045.db2.gz VTNQEYHVSKKMBO-ZCFIWIBFSA-N 0 0 186.301 2.667 10 0 AFAERN C[C@H]1Cc2[nH]c3ccccc3c2C1 34189073 572061074 /nfs/dbraw/zinc/06/10/74/572061074.db2.gz UBRADRZWUORROV-MRVPVSSYSA-N 0 0 171.243 2.903 10 0 AFAERN O=C1CCC[C@H]1C1=CC=CC12CC2 34195113 572061220 /nfs/dbraw/zinc/06/12/20/572061220.db2.gz OEKNSOOKCHUFOY-VIFPVBQESA-N 0 0 174.243 2.632 10 0 AFAERN CCOC(=O)C[C@@H](CC)CC(F)F 687889800 572061323 /nfs/dbraw/zinc/06/13/23/572061323.db2.gz KNYYVHAMYQGJOV-ZETCQYMHSA-N 0 0 194.221 2.621 10 0 AFAERN CC(C)c1ccc2c(c1)OCO2 34191989 572061373 /nfs/dbraw/zinc/06/13/73/572061373.db2.gz JHUBNQSPUZXGKI-UHFFFAOYSA-N 0 0 164.204 2.539 10 0 AFAERN CCCC/C=C\C/C=C/CO 34179388 572061413 /nfs/dbraw/zinc/06/14/13/572061413.db2.gz LPONWYRUAQJVOG-UEPDSTOUSA-N 0 0 154.253 2.671 10 0 AFAERN Cc1ccc(-n2ccc(C=O)c2)cc1 34179902 572061435 /nfs/dbraw/zinc/06/14/35/572061435.db2.gz WUOVFHPNARHASP-UHFFFAOYSA-N 0 0 185.226 2.598 10 0 AFAERN C/C=C\Cc1cccs1 78215308 572061485 /nfs/dbraw/zinc/06/14/85/572061485.db2.gz GCUVMJBZPTWRAM-IHWYPQMZSA-N 0 0 138.235 2.867 10 0 AFAERN CCCC(=O)C(C)(C)CC 34184407 572061503 /nfs/dbraw/zinc/06/15/03/572061503.db2.gz VEFXQYXMCYHSHC-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN O=C1CCC[C@@H]1C1=CC=CC12CC2 34195112 572061611 /nfs/dbraw/zinc/06/16/11/572061611.db2.gz OEKNSOOKCHUFOY-SECBINFHSA-N 0 0 174.243 2.632 10 0 AFAERN C[C@@H]1Cc2[nH]c3ccccc3c2C1 34189075 572061627 /nfs/dbraw/zinc/06/16/27/572061627.db2.gz UBRADRZWUORROV-QMMMGPOBSA-N 0 0 171.243 2.903 10 0 AFAERN O[C@H]1CCCSc2ccsc21 34186173 572061641 /nfs/dbraw/zinc/06/16/41/572061641.db2.gz VTNQEYHVSKKMBO-LURJTMIESA-N 0 0 186.301 2.667 10 0 AFAERN CCCOCc1c(N)cccc1Cl 82582709 572061783 /nfs/dbraw/zinc/06/17/83/572061783.db2.gz FYWLMJBBKNFPTK-UHFFFAOYSA-N 0 0 199.681 2.849 10 0 AFAERN CC1=CC[C@@H]([C@@H](C)CO)C1(C)C 34179567 572061826 /nfs/dbraw/zinc/06/18/26/572061826.db2.gz UKKMUBJAFXZAES-WPRPVWTQSA-N 0 0 168.280 2.607 10 0 AFAERN C[C@@H]1Cc2[nH]c3ccccc3c2C1=O 34189077 572061948 /nfs/dbraw/zinc/06/19/48/572061948.db2.gz BOMHTWWDOMYHKQ-SSDOTTSWSA-N 0 0 185.226 2.543 10 0 AFAERN CC[C@H]1CCCC(C)(C)C1=O 34175519 572061999 /nfs/dbraw/zinc/06/19/99/572061999.db2.gz YPDGMVLYPRVSTR-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCCNc1c(C)n[nH]c1C 36734458 572062001 /nfs/dbraw/zinc/06/20/01/572062001.db2.gz NALXVYVOCVMASU-UHFFFAOYSA-N 0 0 181.283 2.629 10 0 AFAERN O=C1CCCCCC[C@H]2C[C@@H]12 196445898 572062158 /nfs/dbraw/zinc/06/21/58/572062158.db2.gz UBKCCNQDDGWBJW-DTWKUNHWSA-N 0 0 152.237 2.546 10 0 AFAERN CCC(CC)CNc1c(C)n[nH]c1C 36736135 572062408 /nfs/dbraw/zinc/06/24/08/572062408.db2.gz VIPWZAIXTHGBHP-UHFFFAOYSA-N 0 0 195.310 2.875 10 0 AFAERN CN(C)c1cc2ccccc2s1 34189410 572062274 /nfs/dbraw/zinc/06/22/74/572062274.db2.gz BILBUHPLSXXBHF-UHFFFAOYSA-N 0 0 177.272 2.967 10 0 AFAERN CC1(C)CCC(C)(C)[C@@](C)(O)C1 145694286 572062277 /nfs/dbraw/zinc/06/22/77/572062277.db2.gz KDMPBKZBYXBOCH-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)n1cnc(C(C)(C)C)c1 34179539 572062329 /nfs/dbraw/zinc/06/23/29/572062329.db2.gz HHMQTVVHKVDCNX-UHFFFAOYSA-N 0 0 166.268 2.762 10 0 AFAERN Cn1ccc2c3c(ccc21)NCCC3 34179932 572062344 /nfs/dbraw/zinc/06/23/44/572062344.db2.gz HCXJLIBCKKJAEQ-UHFFFAOYSA-N 0 0 186.258 2.536 10 0 AFAERN CC1=CC[C@@H]([C@H](C)CO)C1(C)C 34179569 572062503 /nfs/dbraw/zinc/06/25/03/572062503.db2.gz UKKMUBJAFXZAES-SCZZXKLOSA-N 0 0 168.280 2.607 10 0 AFAERN CCCCN(C)c1cccc(N)c1 36720281 572062788 /nfs/dbraw/zinc/06/27/88/572062788.db2.gz XDSAUEQVAMDLSQ-UHFFFAOYSA-N 0 0 178.279 2.505 10 0 AFAERN C[C@H](O)CCCC(C)(C)C 34183506 572062820 /nfs/dbraw/zinc/06/28/20/572062820.db2.gz UFAFXLWYHVXDTN-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN C[C@@H](CCCCO)Nc1ccccc1 78197939 572062837 /nfs/dbraw/zinc/06/28/37/572062837.db2.gz GWONHAJSRHSIJX-NSHDSACASA-N 0 0 193.290 2.650 10 0 AFAERN CCCCN(CC)c1cccc(N)c1 36720283 572063054 /nfs/dbraw/zinc/06/30/54/572063054.db2.gz DQCAORXFIQSUSN-UHFFFAOYSA-N 0 0 192.306 2.895 10 0 AFAERN CC1=CC[C@H]([C@H](C)CO)C1(C)C 34179568 572063060 /nfs/dbraw/zinc/06/30/60/572063060.db2.gz UKKMUBJAFXZAES-PSASIEDQSA-N 0 0 168.280 2.607 10 0 AFAERN Cc1cccc(C)c1-c1cccc(N)n1 78220361 572063061 /nfs/dbraw/zinc/06/30/61/572063061.db2.gz LFYWZUXBBUOVJV-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCOC(=O)C[C@H](CC)CC(F)F 687889775 572063118 /nfs/dbraw/zinc/06/31/18/572063118.db2.gz KNYYVHAMYQGJOV-SSDOTTSWSA-N 0 0 194.221 2.621 10 0 AFAERN CC1=C(CCO)c2cc(F)ccc2C1 34191705 572063123 /nfs/dbraw/zinc/06/31/23/572063123.db2.gz LIZGAXKNFHWGNX-UHFFFAOYSA-N 0 0 192.233 2.538 10 0 AFAERN C[C@H](CC(C)(C)O)Nc1ccccc1 34216640 572064420 /nfs/dbraw/zinc/06/44/20/572064420.db2.gz PIWFXKLKCCUKFS-SNVBAGLBSA-N 0 0 193.290 2.648 10 0 AFAERN CC[C@@H]1CCCC(C)(C)C1=O 34175518 572063170 /nfs/dbraw/zinc/06/31/70/572063170.db2.gz YPDGMVLYPRVSTR-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H](CCCCO)Nc1ccccc1 78197941 572063459 /nfs/dbraw/zinc/06/34/59/572063459.db2.gz GWONHAJSRHSIJX-LLVKDONJSA-N 0 0 193.290 2.650 10 0 AFAERN CCCN(CCC)c1cccc(N)c1 36720267 572063495 /nfs/dbraw/zinc/06/34/95/572063495.db2.gz VHAZOFFFCNMHSY-UHFFFAOYSA-N 0 0 192.306 2.895 10 0 AFAERN Cc1cccc(O)c1[C@@H]1CCCCO1 34213893 572063636 /nfs/dbraw/zinc/06/36/36/572063636.db2.gz NDJRCOVBNJHWHE-NSHDSACASA-N 0 0 192.258 2.942 10 0 AFAERN Cc1ccc([C@@H]2CCCCO2)c(O)c1 34213895 572063682 /nfs/dbraw/zinc/06/36/82/572063682.db2.gz JDHJCYORWRHMPV-LBPRGKRZSA-N 0 0 192.258 2.942 10 0 AFAERN CCC[C@@H](C)CNc1c(C)n[nH]c1C 36734518 572063721 /nfs/dbraw/zinc/06/37/21/572063721.db2.gz BREFESJDOOWJFO-MRVPVSSYSA-N 0 0 195.310 2.875 10 0 AFAERN C[C@@]1(c2ccccc2O)CCCCO1 34213908 572063761 /nfs/dbraw/zinc/06/37/61/572063761.db2.gz ICVUVTVQKYZDSX-LBPRGKRZSA-N 0 0 192.258 2.808 10 0 AFAERN C=C=CC(C)(C)[C@@H]1CCC(=O)C1 34236076 572063888 /nfs/dbraw/zinc/06/38/88/572063888.db2.gz PHXKIIVLYFOIOS-SECBINFHSA-N 0 0 164.248 2.723 10 0 AFAERN C[C@@H](CCc1cccs1)[C@@H](C)O 82603146 572063938 /nfs/dbraw/zinc/06/39/38/572063938.db2.gz KATBVONXCYXBBB-DTWKUNHWSA-N 0 0 184.304 2.698 10 0 AFAERN O=Cc1cscc1-c1ccccn1 34216528 572063952 /nfs/dbraw/zinc/06/39/52/572063952.db2.gz ZOTNSYXGMKSNFG-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN c1cc2c3c(c1)ccn3CCCC2 34235898 572064012 /nfs/dbraw/zinc/06/40/12/572064012.db2.gz DUKVUMSZZMFYOE-UHFFFAOYSA-N 0 0 171.243 2.978 10 0 AFAERN Cc1ccc(O)c([C@@]2(C)CCCO2)c1 34213916 572064046 /nfs/dbraw/zinc/06/40/46/572064046.db2.gz JNCQVPIRPRPNFS-GFCCVEGCSA-N 0 0 192.258 2.726 10 0 AFAERN CC(C)C1=C(Cl)CCC[C@@H]1O 34216383 572064088 /nfs/dbraw/zinc/06/40/88/572064088.db2.gz SFDLADIGWABOLQ-QMMMGPOBSA-N 0 0 174.671 2.680 10 0 AFAERN CCCC[C@H](C)[C@H](O)COCCC 300924114 572064114 /nfs/dbraw/zinc/06/41/14/572064114.db2.gz LPFXHERCHMJBDT-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)=C[C@@H](O)Cc1ccccc1 34224158 572064122 /nfs/dbraw/zinc/06/41/22/572064122.db2.gz XLWZVNCHAJDCOS-GFCCVEGCSA-N 0 0 176.259 2.556 10 0 AFAERN C[C@@]1(c2ccc(O)cc2)CCCCO1 34213910 572064164 /nfs/dbraw/zinc/06/41/64/572064164.db2.gz BHLJUFSQPKGADL-LBPRGKRZSA-N 0 0 192.258 2.808 10 0 AFAERN CCc1cc(CC)c(N)c(CC)c1N 34224883 572064273 /nfs/dbraw/zinc/06/42/73/572064273.db2.gz JGYUBHGXADMAQU-UHFFFAOYSA-N 0 0 192.306 2.538 10 0 AFAERN Cc1cc(C)c2c(O)cccc2n1 34236040 572064429 /nfs/dbraw/zinc/06/44/29/572064429.db2.gz RMVQKKBJFNRYSM-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN O=Cc1ccsc1-c1ccccn1 34216529 572064395 /nfs/dbraw/zinc/06/43/95/572064395.db2.gz HOJDISLGTCDCCH-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN Cc1cc([C@H]2C=CCC2)c(N)cc1N 34222378 572064373 /nfs/dbraw/zinc/06/43/73/572064373.db2.gz WHCYMMPFGLGWHD-VIFPVBQESA-N 0 0 188.274 2.593 10 0 AFAERN C[C@H](O)[C@@H](C)CCc1cccs1 82603150 572064447 /nfs/dbraw/zinc/06/44/47/572064447.db2.gz KATBVONXCYXBBB-IUCAKERBSA-N 0 0 184.304 2.698 10 0 AFAERN CCCOC[C@@H](O)C[C@H]1CC=CCC1 402242379 572064627 /nfs/dbraw/zinc/06/46/27/572064627.db2.gz NUZVGQOTQKKARS-RYUDHWBXSA-N 0 0 198.306 2.520 10 0 AFAERN CCCC1=C(Cl)CCC[C@@H]1O 34216381 572064631 /nfs/dbraw/zinc/06/46/31/572064631.db2.gz BGCIUKQGDOKFHG-VIFPVBQESA-N 0 0 174.671 2.824 10 0 AFAERN C[C@]1(c2ccc(O)cc2)CCCCO1 34213909 572064588 /nfs/dbraw/zinc/06/45/88/572064588.db2.gz BHLJUFSQPKGADL-GFCCVEGCSA-N 0 0 192.258 2.808 10 0 AFAERN CC(C)C1=C(Cl)CCC[C@H]1O 34216384 572064714 /nfs/dbraw/zinc/06/47/14/572064714.db2.gz SFDLADIGWABOLQ-MRVPVSSYSA-N 0 0 174.671 2.680 10 0 AFAERN C/C=C/C=C/[C@H](O)c1ccccc1 34204409 572064760 /nfs/dbraw/zinc/06/47/60/572064760.db2.gz HYNZQUQCMFSCNI-LDCXESKLSA-N 0 0 174.243 2.852 10 0 AFAERN CC(=O)[C@@H](C)CCc1cccs1 82602452 572064799 /nfs/dbraw/zinc/06/47/99/572064799.db2.gz RPQGUYXDQRCWNZ-QMMMGPOBSA-N 0 0 182.288 2.906 10 0 AFAERN Cc1cccc([C@@H]2CCCCO2)c1O 34213891 572064805 /nfs/dbraw/zinc/06/48/05/572064805.db2.gz ZVVMRLFETZELTQ-NSHDSACASA-N 0 0 192.258 2.942 10 0 AFAERN CC[C@@H](O)CCCc1cccs1 82603142 572064815 /nfs/dbraw/zinc/06/48/15/572064815.db2.gz UTUOSEMTVXZMAC-SECBINFHSA-N 0 0 184.304 2.842 10 0 AFAERN CCCC[C@H](C)[C@@H](O)COCCC 300924113 572064846 /nfs/dbraw/zinc/06/48/46/572064846.db2.gz LPFXHERCHMJBDT-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN C[C@@H]1CC[C@]23CC=C[C@@]2(C)C(=O)C[C@H]13 34235754 572064907 /nfs/dbraw/zinc/06/49/07/572064907.db2.gz GSMMVUKPKDFIOA-AAXDQBDMSA-N 0 0 190.286 2.958 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)COCCC 300924112 572064872 /nfs/dbraw/zinc/06/48/72/572064872.db2.gz LPFXHERCHMJBDT-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN CCCCC(C)(C)CCO 34204044 572064926 /nfs/dbraw/zinc/06/49/26/572064926.db2.gz YUDJKGHFZIXDME-UHFFFAOYSA-N 0 0 144.258 2.585 10 0 AFAERN CCCOC[C@H](O)C[C@@H]1CC=CCC1 402242382 572064950 /nfs/dbraw/zinc/06/49/50/572064950.db2.gz NUZVGQOTQKKARS-VXGBXAGGSA-N 0 0 198.306 2.520 10 0 AFAERN C/C=C/C=C/[C@@H](O)c1ccccc1 34204410 572064975 /nfs/dbraw/zinc/06/49/75/572064975.db2.gz HYNZQUQCMFSCNI-DDJSTSGFSA-N 0 0 174.243 2.852 10 0 AFAERN CC(=O)[C@@H]1CC=CC(C)(C)C1 34235539 572064991 /nfs/dbraw/zinc/06/49/91/572064991.db2.gz RNAZVWFJNPQKBZ-SECBINFHSA-N 0 0 152.237 2.568 10 0 AFAERN CCC(CC)N(C)c1ccccc1N 36788890 572065000 /nfs/dbraw/zinc/06/50/00/572065000.db2.gz JSLHKSVZLVEIGP-UHFFFAOYSA-N 0 0 192.306 2.894 10 0 AFAERN CC(C)=C[C@@H](C)NC(=O)OC(C)(C)C 34216816 572065023 /nfs/dbraw/zinc/06/50/23/572065023.db2.gz YLHOUQYHGGRZBH-SECBINFHSA-N 0 0 199.294 2.866 10 0 AFAERN Cc1cc([C@@H]2C=CCC2)c(N)cc1N 34222379 572065036 /nfs/dbraw/zinc/06/50/36/572065036.db2.gz WHCYMMPFGLGWHD-SECBINFHSA-N 0 0 188.274 2.593 10 0 AFAERN CCCC1=C(Cl)CCC[C@H]1O 34216382 572065060 /nfs/dbraw/zinc/06/50/60/572065060.db2.gz BGCIUKQGDOKFHG-SECBINFHSA-N 0 0 174.671 2.824 10 0 AFAERN Cc1ccc(O)c([C@H]2CCCCO2)c1 34213886 572065062 /nfs/dbraw/zinc/06/50/62/572065062.db2.gz IPMNGAIHRIWVOU-GFCCVEGCSA-N 0 0 192.258 2.942 10 0 AFAERN C[C@]1(c2ccccc2O)CCCCO1 34213907 572065100 /nfs/dbraw/zinc/06/51/00/572065100.db2.gz ICVUVTVQKYZDSX-GFCCVEGCSA-N 0 0 192.258 2.808 10 0 AFAERN C=C=CC(C)(C)[C@H]1CCC(=O)C1 34236077 572065131 /nfs/dbraw/zinc/06/51/31/572065131.db2.gz PHXKIIVLYFOIOS-VIFPVBQESA-N 0 0 164.248 2.723 10 0 AFAERN O[C@H](CCCc1cccs1)C1CC1 82603191 572065137 /nfs/dbraw/zinc/06/51/37/572065137.db2.gz DGAASKNUBYBIFU-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN Cc1cccc(O)c1[C@H]1CCCCO1 34213894 572065200 /nfs/dbraw/zinc/06/52/00/572065200.db2.gz NDJRCOVBNJHWHE-LLVKDONJSA-N 0 0 192.258 2.942 10 0 AFAERN CCc1cc(C)cc2cccn12 34227038 572065218 /nfs/dbraw/zinc/06/52/18/572065218.db2.gz UETOTNSXZPCMNX-UHFFFAOYSA-N 0 0 159.232 2.810 10 0 AFAERN CC1(C)C=Cc2c(C=O)cccc2O1 34216504 572065228 /nfs/dbraw/zinc/06/52/28/572065228.db2.gz MYQCSWUVYHRERP-UHFFFAOYSA-N 0 0 188.226 2.683 10 0 AFAERN COc1cccc(SC)c1C 196460138 572065679 /nfs/dbraw/zinc/06/56/79/572065679.db2.gz UGYFXKFLVDIHBZ-UHFFFAOYSA-N 0 0 168.261 2.726 10 0 AFAERN CC(=O)[C@H](C)CCc1cccs1 82602453 572065262 /nfs/dbraw/zinc/06/52/62/572065262.db2.gz RPQGUYXDQRCWNZ-MRVPVSSYSA-N 0 0 182.288 2.906 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)[C@](C)(O)C2 34211717 572065278 /nfs/dbraw/zinc/06/52/78/572065278.db2.gz LFYXNXGVLGKVCJ-INTQDDNPSA-N 0 0 168.280 2.584 10 0 in-vitro AFAERN CCCC[C@@H](C)[C@H](O)COCCC 300924109 572065284 /nfs/dbraw/zinc/06/52/84/572065284.db2.gz LPFXHERCHMJBDT-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN O[C@@H](CCCc1cccs1)C1CC1 82603189 572065288 /nfs/dbraw/zinc/06/52/88/572065288.db2.gz DGAASKNUBYBIFU-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CC(=O)[C@H]1CC=CC(C)(C)C1 34235540 572065320 /nfs/dbraw/zinc/06/53/20/572065320.db2.gz RNAZVWFJNPQKBZ-VIFPVBQESA-N 0 0 152.237 2.568 10 0 AFAERN CC[C@H](O)CCCc1cccs1 82603141 572065324 /nfs/dbraw/zinc/06/53/24/572065324.db2.gz UTUOSEMTVXZMAC-VIFPVBQESA-N 0 0 184.304 2.842 10 0 AFAERN C[C@H](O)[C@H](C)CCc1cccs1 82603152 572065334 /nfs/dbraw/zinc/06/53/34/572065334.db2.gz KATBVONXCYXBBB-BDAKNGLRSA-N 0 0 184.304 2.698 10 0 AFAERN Cc1ccc(O)c([C@@H]2CCCCO2)c1 34213885 572065341 /nfs/dbraw/zinc/06/53/41/572065341.db2.gz IPMNGAIHRIWVOU-LBPRGKRZSA-N 0 0 192.258 2.942 10 0 AFAERN Cc1ccc2snc(C)c2c1 34236296 572065357 /nfs/dbraw/zinc/06/53/57/572065357.db2.gz MSIJMMGTNBZWQC-UHFFFAOYSA-N 0 0 163.245 2.913 10 0 AFAERN CCC(CC)N(C)c1cccc(N)c1 36788870 572065420 /nfs/dbraw/zinc/06/54/20/572065420.db2.gz QZDSEEDNXHJXID-UHFFFAOYSA-N 0 0 192.306 2.894 10 0 AFAERN CC(=O)C[C@H]1CC=C(C)C1(C)C 34200206 572065421 /nfs/dbraw/zinc/06/54/21/572065421.db2.gz ZHYZKSGGSGBHSL-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN C[C@@H](O)[C@H](C)CCc1cccs1 82603148 572065436 /nfs/dbraw/zinc/06/54/36/572065436.db2.gz KATBVONXCYXBBB-RKDXNWHRSA-N 0 0 184.304 2.698 10 0 AFAERN C[C@@H](CC(C)(C)O)Nc1ccccc1 34216639 572065490 /nfs/dbraw/zinc/06/54/90/572065490.db2.gz PIWFXKLKCCUKFS-JTQLQIEISA-N 0 0 193.290 2.648 10 0 AFAERN CC(C)=C[C@H](O)Cc1ccccc1 34224157 572065498 /nfs/dbraw/zinc/06/54/98/572065498.db2.gz XLWZVNCHAJDCOS-LBPRGKRZSA-N 0 0 176.259 2.556 10 0 AFAERN Oc1ccccc1[C@H]1CCCCO1 34213882 572065510 /nfs/dbraw/zinc/06/55/10/572065510.db2.gz QTVJJZSEFNGOES-LLVKDONJSA-N 0 0 178.231 2.634 10 0 AFAERN CC(=O)C[C@@H]1CC=C(C)C1(C)C 34200207 572065517 /nfs/dbraw/zinc/06/55/17/572065517.db2.gz ZHYZKSGGSGBHSL-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN Cc1ccc([C@H]2CCCCO2)c(O)c1 34213896 572065536 /nfs/dbraw/zinc/06/55/36/572065536.db2.gz JDHJCYORWRHMPV-GFCCVEGCSA-N 0 0 192.258 2.942 10 0 AFAERN FCc1ccc2ccccc2n1 34211594 572065589 /nfs/dbraw/zinc/06/55/89/572065589.db2.gz CNULTLGKVRJBDK-UHFFFAOYSA-N 0 0 161.179 2.704 10 0 AFAERN O=C1C[C@]23CC=CC[C@]2(CCC3)C1 34227046 572065606 /nfs/dbraw/zinc/06/56/06/572065606.db2.gz LLGNDDKADLUVFP-TXEJJXNPSA-N 0 0 176.259 2.856 10 0 AFAERN Cc1ccc(O)c([C@]2(C)CCCO2)c1 34213915 572065632 /nfs/dbraw/zinc/06/56/32/572065632.db2.gz JNCQVPIRPRPNFS-LBPRGKRZSA-N 0 0 192.258 2.726 10 0 AFAERN Cc1cc(O)c(C(C)(C)C)cc1O 34259529 572065733 /nfs/dbraw/zinc/06/57/33/572065733.db2.gz MPKIZIGHGVKHDY-UHFFFAOYSA-N 0 0 180.247 2.704 10 0 AFAERN CC(C)[C@@H]1C(=O)C[C@H](C)C1(C)C 34250970 572065781 /nfs/dbraw/zinc/06/57/81/572065781.db2.gz UTULSHMCEREFCR-WCBMZHEXSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@H](O)c1cccc(OCC2CC2)c1 36765476 572065824 /nfs/dbraw/zinc/06/58/24/572065824.db2.gz UEQFAJIDUKWVOO-VIFPVBQESA-N 0 0 192.258 2.529 10 0 AFAERN O[C@@H]1C=Cc2cccc3cccc1c23 34256437 572066018 /nfs/dbraw/zinc/06/60/18/572066018.db2.gz IOERWOVETSVRFV-GFCCVEGCSA-N 0 0 182.222 2.900 10 0 AFAERN CC(C)[C@H]1C(=O)C[C@H](C)C1(C)C 34250968 572066039 /nfs/dbraw/zinc/06/60/39/572066039.db2.gz UTULSHMCEREFCR-WPRPVWTQSA-N 0 0 168.280 2.894 10 0 AFAERN COc1cc2ccsc2c(C)n1 34257254 572066137 /nfs/dbraw/zinc/06/61/37/572066137.db2.gz YXFRIELYWAODJA-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CC(C)[C@@]1(C)CCCC(=O)C1 34241541 572066291 /nfs/dbraw/zinc/06/62/91/572066291.db2.gz WIPQHMZQGYADEK-JTQLQIEISA-N 0 0 154.253 2.792 10 0 AFAERN COc1cc2sccc2c(C)n1 34257258 572066307 /nfs/dbraw/zinc/06/63/07/572066307.db2.gz DKXNBDOHFJHPKB-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CC[C@H](O)CC[C@H](C)CC 34239196 572066360 /nfs/dbraw/zinc/06/63/60/572066360.db2.gz MFYHIHFYDULUQP-BDAKNGLRSA-N 0 0 144.258 2.584 10 0 AFAERN O[C@H]1C=Cc2cccc3cccc1c23 34256436 572066438 /nfs/dbraw/zinc/06/64/38/572066438.db2.gz IOERWOVETSVRFV-LBPRGKRZSA-N 0 0 182.222 2.900 10 0 AFAERN CSc1coc2ccccc2c1=O 34236339 572066447 /nfs/dbraw/zinc/06/64/47/572066447.db2.gz XRNJOCVFWYLKBQ-UHFFFAOYSA-N 0 0 192.239 2.515 10 0 AFAERN CC(C)(CO)C1=CCCCC1 34256805 572066576 /nfs/dbraw/zinc/06/65/76/572066576.db2.gz KDKALIXKMRWQLR-UHFFFAOYSA-N 0 0 154.253 2.505 10 0 AFAERN CC(C)=C1CCC(=O)[C@H](C)C1 34265096 572066865 /nfs/dbraw/zinc/06/68/65/572066865.db2.gz ONTUAJUXNXZFGD-MRVPVSSYSA-N 0 0 152.237 2.712 10 0 AFAERN CCc1[nH]c(CC)c(C)c1C 34256938 572066879 /nfs/dbraw/zinc/06/68/79/572066879.db2.gz JXXLHBMYVFIMRF-UHFFFAOYSA-N 0 0 151.253 2.756 10 0 AFAERN COc1cc(Cl)c(OC)cc1C 34259590 572067279 /nfs/dbraw/zinc/06/72/79/572067279.db2.gz APXQVCDHYADBRR-UHFFFAOYSA-N 0 0 186.638 2.666 10 0 AFAERN CC(C)(C)CCCn1ccc(CO)c1 300925107 572066929 /nfs/dbraw/zinc/06/69/29/572066929.db2.gz UJNIGMRDUFUSQV-UHFFFAOYSA-N 0 0 195.306 2.807 10 0 AFAERN CC(C)[C@@H]1C(=O)C[C@@H](C)C1(C)C 34250969 572066934 /nfs/dbraw/zinc/06/69/34/572066934.db2.gz UTULSHMCEREFCR-PSASIEDQSA-N 0 0 168.280 2.894 10 0 AFAERN CCCC(C)(C)CC(C)=O 34247473 572067033 /nfs/dbraw/zinc/06/70/33/572067033.db2.gz DBJPSQMMWIWBCT-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN Cc1ccc2c(C)c(C)cc(N)c2n1 34258791 572067187 /nfs/dbraw/zinc/06/71/87/572067187.db2.gz JLRHVOUXEPMNBN-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN CCc1cc(F)cc(CC)c1N 34263661 572067200 /nfs/dbraw/zinc/06/72/00/572067200.db2.gz DRBMGXNHHFVYAZ-UHFFFAOYSA-N 0 0 167.227 2.533 10 0 AFAERN CCCSc1cccnc1F 34267358 572067387 /nfs/dbraw/zinc/06/73/87/572067387.db2.gz WMQPHJOUMGDOCT-UHFFFAOYSA-N 0 0 171.240 2.723 10 0 AFAERN Cc1cc(O)cc(C(C)(C)C)c1O 34259528 572067477 /nfs/dbraw/zinc/06/74/77/572067477.db2.gz LMIQZMJKGJNJLY-UHFFFAOYSA-N 0 0 180.247 2.704 10 0 AFAERN C=CC[C@@H]1C(=O)C[C@H](C)C[C@H]1C 34266105 572067493 /nfs/dbraw/zinc/06/74/93/572067493.db2.gz QEXRBVNLYJUCLQ-BBBLOLIVSA-N 0 0 166.264 2.814 10 0 AFAERN C[C@@H](O)c1cccc(OCC2CC2)c1 36765477 572067580 /nfs/dbraw/zinc/06/75/80/572067580.db2.gz UEQFAJIDUKWVOO-SECBINFHSA-N 0 0 192.258 2.529 10 0 AFAERN CC(C)=C1CCC(=O)[C@@H](C)C1 34265097 572067586 /nfs/dbraw/zinc/06/75/86/572067586.db2.gz ONTUAJUXNXZFGD-QMMMGPOBSA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)[C@H]1C(=O)C[C@@H](C)C1(C)C 34250966 572067667 /nfs/dbraw/zinc/06/76/67/572067667.db2.gz UTULSHMCEREFCR-SCZZXKLOSA-N 0 0 168.280 2.894 10 0 AFAERN C=CP(=O)(C=C)c1ccccc1 34252865 572067627 /nfs/dbraw/zinc/06/76/27/572067627.db2.gz QJPDCMIFPPRCFH-UHFFFAOYSA-N 0 0 178.171 2.962 10 0 AFAERN CCC(=O)c1c(O)ccc(C)c1C 34260349 572067964 /nfs/dbraw/zinc/06/79/64/572067964.db2.gz KJLFABHNTMVJIC-UHFFFAOYSA-N 0 0 178.231 2.602 10 0 AFAERN CC[C@H](C)CC[C@H](O)CC 34239195 572067993 /nfs/dbraw/zinc/06/79/93/572067993.db2.gz MFYHIHFYDULUQP-DTWKUNHWSA-N 0 0 144.258 2.584 10 0 AFAERN CCC(=O)c1c(C)cc(C)cc1OC 34254288 572068078 /nfs/dbraw/zinc/06/80/78/572068078.db2.gz YWKYZNZCLDDNGU-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CC(C)[C@]1(C)CCCC(=O)C1 34241540 572068122 /nfs/dbraw/zinc/06/81/22/572068122.db2.gz WIPQHMZQGYADEK-SNVBAGLBSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCOc1ccnc(Cl)c1 82605487 572068125 /nfs/dbraw/zinc/06/81/25/572068125.db2.gz KDOQORSXCOKTKH-UHFFFAOYSA-N 0 0 185.654 2.914 10 0 AFAERN CC[C@H](C)CC[C@@H](O)CC 34239197 572068163 /nfs/dbraw/zinc/06/81/63/572068163.db2.gz MFYHIHFYDULUQP-IUCAKERBSA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@@H](C)N(C)c1ccccc1N 36790120 572068394 /nfs/dbraw/zinc/06/83/94/572068394.db2.gz ZMAUCENTUQKKDP-SNVBAGLBSA-N 0 0 192.306 2.894 10 0 AFAERN Cc1cc(C=O)c(-c2ccccc2)[nH]1 34278238 572068649 /nfs/dbraw/zinc/06/86/49/572068649.db2.gz UXSMQWRJMMIXQC-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN CC1=CCC[C@@H](O)C12CCCC2 196460005 572068684 /nfs/dbraw/zinc/06/86/84/572068684.db2.gz QQYXLKAKJRZRJV-SNVBAGLBSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1[nH]c(-c2ccccc2)cc1C=O 34278239 572068815 /nfs/dbraw/zinc/06/88/15/572068815.db2.gz VGEWWWNURYXPPQ-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN Cc1ccc(C)n1C[C@@H]1CCCCO1 42824350 572068854 /nfs/dbraw/zinc/06/88/54/572068854.db2.gz HQSMYRFZUAYQHY-LBPRGKRZSA-N 0 0 193.290 2.674 10 0 AFAERN COc1cc2c(cc1O)CC[C@H](C)C2 34268699 572068857 /nfs/dbraw/zinc/06/88/57/572068857.db2.gz TVKPIDQKPZNCRY-QMMMGPOBSA-N 0 0 192.258 2.526 10 0 AFAERN CCc1cccc(-c2ccccn2)n1 38853616 572068900 /nfs/dbraw/zinc/06/89/00/572068900.db2.gz VORDUGBUEZWJHK-UHFFFAOYSA-N 0 0 184.242 2.706 10 0 AFAERN CC(=O)c1sc(=S)oc1C 34278412 572068956 /nfs/dbraw/zinc/06/89/56/572068956.db2.gz VHNUPDOCBPPOCE-UHFFFAOYSA-N 0 0 174.246 2.582 10 0 AFAERN Cc1cc(C(=O)c2ccccc2)c[nH]1 34278240 572069155 /nfs/dbraw/zinc/06/91/55/572069155.db2.gz YNXFYDRDAZOZKQ-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN Nc1ccc(N)c(-c2cccs2)c1 34278761 572069549 /nfs/dbraw/zinc/06/95/49/572069549.db2.gz GCNUGWIBKQDYGG-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CCC[C@H](C)N(C)c1ccccc1N 36790121 572069674 /nfs/dbraw/zinc/06/96/74/572069674.db2.gz ZMAUCENTUQKKDP-JTQLQIEISA-N 0 0 192.306 2.894 10 0 AFAERN CCC[C@@H](C)N(C)c1cccc(N)c1 36790078 572069707 /nfs/dbraw/zinc/06/97/07/572069707.db2.gz MLHZQASMTASSGH-SNVBAGLBSA-N 0 0 192.306 2.894 10 0 AFAERN CCC[C@H](C)N(C)c1cccc(N)c1 36790079 572069714 /nfs/dbraw/zinc/06/97/14/572069714.db2.gz MLHZQASMTASSGH-JTQLQIEISA-N 0 0 192.306 2.894 10 0 AFAERN Cc1cc(C)c2cccn2c1 34288482 572069963 /nfs/dbraw/zinc/06/99/63/572069963.db2.gz CIIBGUCWDJPKPT-UHFFFAOYSA-N 0 0 145.205 2.556 10 0 AFAERN CC[C@@](C)(O)C1=CCCCC1 34268649 572069970 /nfs/dbraw/zinc/06/99/70/572069970.db2.gz IDPSEGMKUXUVJZ-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cc(C)c(C=O)c(C)c1C 34273006 572070080 /nfs/dbraw/zinc/07/00/80/572070080.db2.gz DTOFEMYKPRSKBB-UHFFFAOYSA-N 0 0 162.232 2.733 10 0 AFAERN CCc1cc(C)cc(NC)c1 34273136 572070182 /nfs/dbraw/zinc/07/01/82/572070182.db2.gz ULVTWSLTRFTRDO-UHFFFAOYSA-N 0 0 149.237 2.599 10 0 AFAERN C[C@H]1CC(F)(F)[C@@]1(F)Cl 78582734 572070548 /nfs/dbraw/zinc/07/05/48/572070548.db2.gz CPOGVCWIUNLLNP-WVZVXSGGSA-N 0 0 158.550 2.566 10 0 AFAERN Cc1cnc(Cl)c2ccoc12 34284902 572070632 /nfs/dbraw/zinc/07/06/32/572070632.db2.gz HXVNEGULNLMFAU-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN Cc1cc2cccccc-2c1CCO 34317019 572071289 /nfs/dbraw/zinc/07/12/89/572071289.db2.gz NYXMBVOOAPKNEB-UHFFFAOYSA-N 0 0 186.254 2.635 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1SCCO 82657970 572071066 /nfs/dbraw/zinc/07/10/66/572071066.db2.gz NAYQNAMCDLXFNB-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN C[C@H]1CCCC(C)(C)[C@@H]1CCO 34319629 572071163 /nfs/dbraw/zinc/07/11/63/572071163.db2.gz YJLWPLYASZAXJL-VHSXEESVSA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@H]1CCCC[C@H]1SCCO 82657973 572072330 /nfs/dbraw/zinc/07/23/30/572072330.db2.gz NAYQNAMCDLXFNB-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN C=COC[C@H](C)CCC 34301073 572072251 /nfs/dbraw/zinc/07/22/51/572072251.db2.gz RPKNYWBXKSZOPY-MRVPVSSYSA-N 0 0 128.215 2.583 10 0 AFAERN CC(=O)[C@H](CC[C@@H]1CCOC1)C(C)C 400909376 572072320 /nfs/dbraw/zinc/07/23/20/572072320.db2.gz AWGGYBQXWMJUCL-VXGBXAGGSA-N 0 0 198.306 2.664 10 0 AFAERN CCc1cc(SC)ccc1N 34317534 572072404 /nfs/dbraw/zinc/07/24/04/572072404.db2.gz RMHQFXJCMWNYQW-UHFFFAOYSA-N 0 0 167.277 2.553 10 0 AFAERN Cc1ccc2c(c1)C(=O)C(C)(C)C2 34327630 572072518 /nfs/dbraw/zinc/07/25/18/572072518.db2.gz STDPPKPGKZRLBR-UHFFFAOYSA-N 0 0 174.243 2.760 10 0 AFAERN CC[C@@H]1CCCC[C@H]1SCCO 82657972 572072540 /nfs/dbraw/zinc/07/25/40/572072540.db2.gz NAYQNAMCDLXFNB-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@H]1CCCC[C@@H]1SCCO 82657971 572072607 /nfs/dbraw/zinc/07/26/07/572072607.db2.gz NAYQNAMCDLXFNB-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN OCCCc1cc2cccccc-2c1 34317020 572072663 /nfs/dbraw/zinc/07/26/63/572072663.db2.gz YLRGSPJZACJCDI-UHFFFAOYSA-N 0 0 186.254 2.716 10 0 AFAERN CCc1cccc(SC)c1N 34317533 572072796 /nfs/dbraw/zinc/07/27/96/572072796.db2.gz VWSVLLYWJHHJTR-UHFFFAOYSA-N 0 0 167.277 2.553 10 0 AFAERN Cc1c(N)ccc(C2=CCCC2)c1N 34305423 572072900 /nfs/dbraw/zinc/07/29/00/572072900.db2.gz GRWTWBBQCOJGOF-UHFFFAOYSA-N 0 0 188.274 2.727 10 0 AFAERN CCCc1cccc(Cl)n1 34320130 572073034 /nfs/dbraw/zinc/07/30/34/572073034.db2.gz FJAHQCQZDLYUFR-UHFFFAOYSA-N 0 0 155.628 2.688 10 0 AFAERN CC1(C)C=Cc2ccccc2C1=O 34327631 572073154 /nfs/dbraw/zinc/07/31/54/572073154.db2.gz MVWSDWVTRYPWLS-UHFFFAOYSA-N 0 0 172.227 2.922 10 0 AFAERN CCCSc1ccc(CO)c(C)c1 82616576 572073324 /nfs/dbraw/zinc/07/33/24/572073324.db2.gz WUMIUKFIWPZFJA-UHFFFAOYSA-N 0 0 196.315 2.989 10 0 AFAERN C[C@@H]1CCCC(C)(C)[C@@H]1CCO 34319628 572073341 /nfs/dbraw/zinc/07/33/41/572073341.db2.gz YJLWPLYASZAXJL-NXEZZACHSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)c1cc2c([nH]1)CCCC2=O 34326960 572073289 /nfs/dbraw/zinc/07/32/89/572073289.db2.gz RECVGZFHGKKJNH-UHFFFAOYSA-N 0 0 177.247 2.657 10 0 AFAERN CC(C)CCOc1ccccc1O 36896821 572073455 /nfs/dbraw/zinc/07/34/55/572073455.db2.gz GJHKNOGYPNYGPE-UHFFFAOYSA-N 0 0 180.247 2.817 10 0 AFAERN CCOCCn1ccc2ccccc21 82615132 572073477 /nfs/dbraw/zinc/07/34/77/572073477.db2.gz GZQAFFREADUPDA-UHFFFAOYSA-N 0 0 189.258 2.678 10 0 AFAERN CCN(CC)C(=O)C[C@H](C)C(C)(C)C 82618879 572073504 /nfs/dbraw/zinc/07/35/04/572073504.db2.gz WLDNJIWVBIBVGM-JTQLQIEISA-N 0 0 199.338 2.927 10 0 AFAERN CC[C@H]1CCCC[C@@H]1C(=O)CCOC 82658242 572073616 /nfs/dbraw/zinc/07/36/16/572073616.db2.gz FGKLBUWHOLOFKU-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)C(=O)CCc1ccsc1 36867145 572073603 /nfs/dbraw/zinc/07/36/03/572073603.db2.gz QOABFHQWLRICFO-UHFFFAOYSA-N 0 0 182.288 2.906 10 0 AFAERN CCC[C@@H](C)Cn1ccnc1CC 82615388 572073636 /nfs/dbraw/zinc/07/36/36/572073636.db2.gz CTTARAHFVBOZHK-SNVBAGLBSA-N 0 0 180.295 2.882 10 0 AFAERN COCCCn1ccc2ccccc21 82615133 572073733 /nfs/dbraw/zinc/07/37/33/572073733.db2.gz RXXYIFPKWFLABO-UHFFFAOYSA-N 0 0 189.258 2.678 10 0 AFAERN CC[C@@H]1CCCC[C@H]1C(=O)CCOC 82658243 572073739 /nfs/dbraw/zinc/07/37/39/572073739.db2.gz FGKLBUWHOLOFKU-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CCCSc1ccc(CO)cc1C 82616592 572073772 /nfs/dbraw/zinc/07/37/72/572073772.db2.gz FPNFYLAKVLCLKW-UHFFFAOYSA-N 0 0 196.315 2.989 10 0 AFAERN CC(C)NC(=O)C[C@@H](C)C(C)(C)C 82618900 572073809 /nfs/dbraw/zinc/07/38/09/572073809.db2.gz FODWAUCDGIQQRO-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)CC[C@@](C)(N)C(F)(F)F 82670675 572082586 /nfs/dbraw/zinc/08/25/86/572082586.db2.gz XCCPAORYBKGXFZ-SSDOTTSWSA-N 0 0 183.217 2.702 10 0 AFAERN CC(C)CSc1ccc(C=O)o1 82612549 572073966 /nfs/dbraw/zinc/07/39/66/572073966.db2.gz UBPWTKQLNOHMIO-UHFFFAOYSA-N 0 0 184.260 2.840 10 0 AFAERN CC[C@@H](C)NC(=O)C[C@H](C)C(C)(C)C 82618876 572073980 /nfs/dbraw/zinc/07/39/80/572073980.db2.gz QKNFOMXNSXFMNS-VHSXEESVSA-N 0 0 199.338 2.973 10 0 AFAERN CC[C@H](O)c1ccsc1SC 34348510 572074003 /nfs/dbraw/zinc/07/40/03/572074003.db2.gz JNXUDUVMDZINSP-ZETCQYMHSA-N 0 0 188.317 2.913 10 0 AFAERN CC(C)CNC(=O)C[C@@H](C)C(C)(C)C 82618882 572074005 /nfs/dbraw/zinc/07/40/05/572074005.db2.gz SPRSRQMNFLMBSH-SNVBAGLBSA-N 0 0 199.338 2.831 10 0 AFAERN CC[C@H]1CCCC[C@H]1C(=O)CCOC 82658244 572074079 /nfs/dbraw/zinc/07/40/79/572074079.db2.gz FGKLBUWHOLOFKU-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@H](C)NC(=O)C[C@@H](C)C(C)(C)C 82618875 572074120 /nfs/dbraw/zinc/07/41/20/572074120.db2.gz QKNFOMXNSXFMNS-ZJUUUORDSA-N 0 0 199.338 2.973 10 0 AFAERN COc1cccc(CC=C(C)C)c1O 34332756 572074128 /nfs/dbraw/zinc/07/41/28/572074128.db2.gz AQQFSJRYEOQNKZ-UHFFFAOYSA-N 0 0 192.258 2.910 10 0 in-vitro AFAERN CCC[C@@H](C)Cn1ccnc1C 82615301 572074142 /nfs/dbraw/zinc/07/41/42/572074142.db2.gz IOTKKTTZSZTOOQ-SECBINFHSA-N 0 0 166.268 2.628 10 0 AFAERN CCCc1cc(C)cc(O)c1 34342570 572074197 /nfs/dbraw/zinc/07/41/97/572074197.db2.gz JJSCDVBOAHVDOC-UHFFFAOYSA-N 0 0 150.221 2.653 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1C(=O)CCOC 82658241 572074342 /nfs/dbraw/zinc/07/43/42/572074342.db2.gz FGKLBUWHOLOFKU-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@H]1CCCC[C@@H]1[C@H](O)CC 82658314 572074408 /nfs/dbraw/zinc/07/44/08/572074408.db2.gz XMIWUFFDIJVRMC-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)Sc1ccc(C=O)o1 82612258 572074414 /nfs/dbraw/zinc/07/44/14/572074414.db2.gz BCBIMRURYJSVHN-ZETCQYMHSA-N 0 0 184.260 2.983 10 0 AFAERN CC[C@@H](O)c1ccsc1SC 34348511 572074440 /nfs/dbraw/zinc/07/44/40/572074440.db2.gz JNXUDUVMDZINSP-SSDOTTSWSA-N 0 0 188.317 2.913 10 0 AFAERN CC[C@H](C)NC(=O)C[C@H](C)C(C)(C)C 82618877 572074455 /nfs/dbraw/zinc/07/44/55/572074455.db2.gz QKNFOMXNSXFMNS-UWVGGRQHSA-N 0 0 199.338 2.973 10 0 AFAERN C[C@@H](CC(=O)NC(C)(C)C)C(C)(C)C 82618880 572074539 /nfs/dbraw/zinc/07/45/39/572074539.db2.gz ZWHILBFBSVPCSY-VIFPVBQESA-N 0 0 199.338 2.973 10 0 AFAERN CC[C@H]1CCCC[C@H]1[C@H](O)CC 82658316 572074545 /nfs/dbraw/zinc/07/45/45/572074545.db2.gz XMIWUFFDIJVRMC-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)CNC(=O)C[C@H](C)C(C)(C)C 82618883 572074546 /nfs/dbraw/zinc/07/45/46/572074546.db2.gz SPRSRQMNFLMBSH-JTQLQIEISA-N 0 0 199.338 2.831 10 0 AFAERN Cc1cc2ccccc2cc1CO 34348136 572074567 /nfs/dbraw/zinc/07/45/67/572074567.db2.gz DOZSTMNNHWFGOU-UHFFFAOYSA-N 0 0 172.227 2.641 10 0 AFAERN CCC[C@H](C)Cn1nc(C)cc1C 82615122 572074713 /nfs/dbraw/zinc/07/47/13/572074713.db2.gz JHLGBBOXSJLFBG-VIFPVBQESA-N 0 0 180.295 2.936 10 0 AFAERN C[C@H](CC(=O)NC(C)(C)C)C(C)(C)C 82618881 572074721 /nfs/dbraw/zinc/07/47/21/572074721.db2.gz ZWHILBFBSVPCSY-SECBINFHSA-N 0 0 199.338 2.973 10 0 AFAERN COc1ccc2[nH]c(C)cc2c1C 34348616 572074788 /nfs/dbraw/zinc/07/47/88/572074788.db2.gz GRXIPOZSDQNWRO-UHFFFAOYSA-N 0 0 175.231 2.793 10 0 AFAERN CCCCCOc1ccccc1O 36896858 572074882 /nfs/dbraw/zinc/07/48/82/572074882.db2.gz MDURQPNBPHBIFN-UHFFFAOYSA-N 0 0 180.247 2.961 10 0 AFAERN CC1(CNCC(F)(F)F)CCCC1 82625379 572074968 /nfs/dbraw/zinc/07/49/68/572074968.db2.gz KTLQSYGOSVQPRE-UHFFFAOYSA-N 0 0 195.228 2.719 10 0 AFAERN CCCCc1cnc2ccccc2n1 34333556 572075048 /nfs/dbraw/zinc/07/50/48/572075048.db2.gz LGSNSNSAHWWKHJ-UHFFFAOYSA-N 0 0 186.258 2.972 10 0 AFAERN CC1(C)Cc2cccc(O)c2C1 34338009 572075057 /nfs/dbraw/zinc/07/50/57/572075057.db2.gz FBIQIDDZVGYWKZ-UHFFFAOYSA-N 0 0 162.232 2.517 10 0 AFAERN CCC[C@H](C)Cn1ccnc1CC 82615389 572075288 /nfs/dbraw/zinc/07/52/88/572075288.db2.gz CTTARAHFVBOZHK-JTQLQIEISA-N 0 0 180.295 2.882 10 0 AFAERN CCC[C@@H](C)Cn1nc(C)cc1C 82615121 572075299 /nfs/dbraw/zinc/07/52/99/572075299.db2.gz JHLGBBOXSJLFBG-SECBINFHSA-N 0 0 180.295 2.936 10 0 AFAERN CCC[C@H](C)Cn1ccnc1C 82615302 572075351 /nfs/dbraw/zinc/07/53/51/572075351.db2.gz IOTKKTTZSZTOOQ-VIFPVBQESA-N 0 0 166.268 2.628 10 0 AFAERN CC[C@H]1CCCC[C@H]1[C@@H](C)O 82658319 572075465 /nfs/dbraw/zinc/07/54/65/572075465.db2.gz YNNUURMRHKRDQD-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN COc1ccc(C(C)(C)C)c(O)c1 34346800 572075515 /nfs/dbraw/zinc/07/55/15/572075515.db2.gz LQODCQQZFSLTLO-UHFFFAOYSA-N 0 0 180.247 2.698 10 0 AFAERN CC(C)NC(=O)C[C@H](C)C(C)(C)C 82618901 572075516 /nfs/dbraw/zinc/07/55/16/572075516.db2.gz FODWAUCDGIQQRO-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN CCC(=O)CCc1cccc(F)c1F 36888958 572075556 /nfs/dbraw/zinc/07/55/56/572075556.db2.gz JXFHDDGFVYNZFW-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN CC[C@@H](C)Sc1ccc(C=O)o1 82612256 572075573 /nfs/dbraw/zinc/07/55/73/572075573.db2.gz BCBIMRURYJSVHN-SSDOTTSWSA-N 0 0 184.260 2.983 10 0 AFAERN CCC1(c2cc(N)n[nH]2)CCCCC1 34346433 572075775 /nfs/dbraw/zinc/07/57/75/572075775.db2.gz LTCBMBLNQMYGAN-UHFFFAOYSA-N 0 0 193.294 2.604 10 0 AFAERN CC1=C[C@@H](c2ccccc2)CC(=O)O1 34374903 572076014 /nfs/dbraw/zinc/07/60/14/572076014.db2.gz RRHPHQNMCWPZOX-LLVKDONJSA-N 0 0 188.226 2.621 10 0 AFAERN Cc1ccoc1[C@@H](O)CC(C)C 34386044 572076039 /nfs/dbraw/zinc/07/60/39/572076039.db2.gz GSYKVOYITISQGK-VIFPVBQESA-N 0 0 168.236 2.668 10 0 AFAERN CCC(CC)[C@@H](C)Nc1ncccn1 82633397 572076186 /nfs/dbraw/zinc/07/61/86/572076186.db2.gz IOJMSONSQHMARK-SECBINFHSA-N 0 0 193.294 2.713 10 0 AFAERN CCOc1nccc2c(C)cccc12 34380854 572076190 /nfs/dbraw/zinc/07/61/90/572076190.db2.gz BESMHYCVDNTRPV-UHFFFAOYSA-N 0 0 187.242 2.942 10 0 AFAERN CCc1ccc(/C=C(/C)[N+](=O)[O-])cc1 42905418 572076203 /nfs/dbraw/zinc/07/62/03/572076203.db2.gz GBKYDVCAHWYXBF-HJWRWDBZSA-N 0 0 191.230 2.887 10 0 AFAERN O[C@@H](CC(C1CC1)C1CC1)C1CC1 400907657 572076247 /nfs/dbraw/zinc/07/62/47/572076247.db2.gz OHFHQPOEHOBEHV-LBPRGKRZSA-N 0 0 180.291 2.584 10 0 AFAERN CC/C(=C\c1ccsc1)[N+](=O)[O-] 42905960 572076561 /nfs/dbraw/zinc/07/65/61/572076561.db2.gz JKMBEVQTRPLCTE-VMPITWQZSA-N 0 0 183.232 2.776 10 0 AFAERN CC1(C)CCC(C)(C)C(=O)C1 34370557 572076309 /nfs/dbraw/zinc/07/63/09/572076309.db2.gz RVCYFEYJEAXCIZ-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN O[C@H](CC(C1CC1)C1CC1)C1CC1 400907655 572076337 /nfs/dbraw/zinc/07/63/37/572076337.db2.gz OHFHQPOEHOBEHV-GFCCVEGCSA-N 0 0 180.291 2.584 10 0 AFAERN CC1=C[C@H](c2ccccc2)CC(=O)O1 34374901 572076364 /nfs/dbraw/zinc/07/63/64/572076364.db2.gz RRHPHQNMCWPZOX-NSHDSACASA-N 0 0 188.226 2.621 10 0 AFAERN CCC(CC)[C@H](C)Nc1ncccn1 82633400 572076384 /nfs/dbraw/zinc/07/63/84/572076384.db2.gz IOJMSONSQHMARK-VIFPVBQESA-N 0 0 193.294 2.713 10 0 AFAERN C[C@H]1CC(=O)c2ccc(Cl)cc2O1 34363193 572076472 /nfs/dbraw/zinc/07/64/72/572076472.db2.gz KITBAWUAFIUTFX-LURJTMIESA-N 0 0 196.633 2.694 10 0 AFAERN CCC(CC)[C@@H](C)Nc1cccnn1 82633377 572076503 /nfs/dbraw/zinc/07/65/03/572076503.db2.gz DVYLDFURLFKOOZ-SECBINFHSA-N 0 0 193.294 2.713 10 0 AFAERN Cc1cnc(Cl)c2cccc(O)c12 34402144 572076585 /nfs/dbraw/zinc/07/65/85/572076585.db2.gz NYZDRNHKKSZSDK-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CCC(CC)[C@@H](C)NCC(F)(F)F 82632061 572076646 /nfs/dbraw/zinc/07/66/46/572076646.db2.gz UYJNZFVOVHGMIY-SSDOTTSWSA-N 0 0 197.244 2.963 10 0 AFAERN C[C@@H]1CC(=O)c2ccc(Cl)cc2O1 34363192 572076703 /nfs/dbraw/zinc/07/67/03/572076703.db2.gz KITBAWUAFIUTFX-ZCFIWIBFSA-N 0 0 196.633 2.694 10 0 AFAERN CCC(CC)[C@H](C)NCC(F)(F)F 82632063 572076675 /nfs/dbraw/zinc/07/66/75/572076675.db2.gz UYJNZFVOVHGMIY-ZETCQYMHSA-N 0 0 197.244 2.963 10 0 AFAERN CC(=O)[C@@H](CC[C@H]1CCOC1)C(C)C 400909374 572076749 /nfs/dbraw/zinc/07/67/49/572076749.db2.gz AWGGYBQXWMJUCL-RYUDHWBXSA-N 0 0 198.306 2.664 10 0 AFAERN CCC(CC)[C@@H](C)n1cn[nH]c1=S 82633768 572076787 /nfs/dbraw/zinc/07/67/87/572076787.db2.gz FYMAETFLLUMFIG-SSDOTTSWSA-N 0 0 199.323 2.938 10 0 AFAERN OC/C=C/c1cc2ccccc2s1 34381468 572076814 /nfs/dbraw/zinc/07/68/14/572076814.db2.gz HIJPHOYMAJFVBQ-HWKANZROSA-N 0 0 190.267 2.907 10 0 AFAERN CCC(CC)[C@H](C)Nc1ccncn1 82633478 572076820 /nfs/dbraw/zinc/07/68/20/572076820.db2.gz OCQMXIQFOYXQLO-VIFPVBQESA-N 0 0 193.294 2.713 10 0 AFAERN CCC(CC)[C@H](C)Nc1cnccn1 82633445 572076839 /nfs/dbraw/zinc/07/68/39/572076839.db2.gz INCRYTLOUUXLJT-VIFPVBQESA-N 0 0 193.294 2.713 10 0 AFAERN Nc1ccc([C@@H]2C=CCC2)cc1 34403921 572076873 /nfs/dbraw/zinc/07/68/73/572076873.db2.gz OAAGCVYOCCCPFM-SECBINFHSA-N 0 0 159.232 2.702 10 0 AFAERN CC1(C)C=C[C@@]2(C)CC[C@@H]1C2=O 34361097 572076880 /nfs/dbraw/zinc/07/68/80/572076880.db2.gz FGOIARKULGBLSL-LDYMZIIASA-N 0 0 164.248 2.568 10 0 AFAERN CCc1ccc(N)c(CC)c1CC 34365127 572076893 /nfs/dbraw/zinc/07/68/93/572076893.db2.gz UDKALKQPQOUJFX-UHFFFAOYSA-N 0 0 177.291 2.956 10 0 AFAERN CC(C)[C@@H]1CC[C@H](C(C)C)C1=O 34365163 572076910 /nfs/dbraw/zinc/07/69/10/572076910.db2.gz XCBQIDBGSMUAQJ-AOOOYVTPSA-N 0 0 168.280 2.894 10 0 AFAERN CCCOCc1ccc(Cl)nc1 37025385 572076935 /nfs/dbraw/zinc/07/69/35/572076935.db2.gz CGVJGALGNAVLRU-UHFFFAOYSA-N 0 0 185.654 2.662 10 0 AFAERN CC(=O)[C@H](CC[C@H]1CCOC1)C(C)C 400909373 572076939 /nfs/dbraw/zinc/07/69/39/572076939.db2.gz AWGGYBQXWMJUCL-NWDGAFQWSA-N 0 0 198.306 2.664 10 0 AFAERN CC(c1ccccn1)c1ccccn1 34361443 572076968 /nfs/dbraw/zinc/07/69/68/572076968.db2.gz CHWJBMPGMPUBCD-UHFFFAOYSA-N 0 0 184.242 2.628 10 0 AFAERN OC/C=C/c1ccc2sccc2c1 34381473 572077015 /nfs/dbraw/zinc/07/70/15/572077015.db2.gz PSISKDFTJHRQNM-OWOJBTEDSA-N 0 0 190.267 2.907 10 0 AFAERN CCOc1cccc2c1C(=O)CCC2 34370488 572078070 /nfs/dbraw/zinc/07/80/70/572078070.db2.gz GQZKGIWCGNHZKD-UHFFFAOYSA-N 0 0 190.242 2.604 10 0 AFAERN CCc1cc(C)c(O)c(CC)c1 34370650 572077158 /nfs/dbraw/zinc/07/71/58/572077158.db2.gz VUDWBUZLGAXSDX-UHFFFAOYSA-N 0 0 164.248 2.825 10 0 AFAERN CCCCNc1cccnc1OCC 37026543 572077180 /nfs/dbraw/zinc/07/71/80/572077180.db2.gz HGEZTBHXWXQKDI-UHFFFAOYSA-N 0 0 194.278 2.692 10 0 AFAERN c1ccn(CCOC2CCCCC2)c1 82627792 572077269 /nfs/dbraw/zinc/07/72/69/572077269.db2.gz VYKHQZRYAAPSGR-UHFFFAOYSA-N 0 0 193.290 2.837 10 0 AFAERN Cc1cc(/C=C/[N+](=O)[O-])c(C)s1 42905410 572077273 /nfs/dbraw/zinc/07/72/73/572077273.db2.gz YPGHMUQHKDWDKU-ONEGZZNKSA-N 0 0 183.232 2.612 10 0 AFAERN COc1cc(O)cc(C(C)(C)C)c1 34383535 572077288 /nfs/dbraw/zinc/07/72/88/572077288.db2.gz QUCNNHLFZPLLIJ-UHFFFAOYSA-N 0 0 180.247 2.698 10 0 AFAERN CCC(CC)[C@H](C)n1cn[nH]c1=S 82633770 572077304 /nfs/dbraw/zinc/07/73/04/572077304.db2.gz FYMAETFLLUMFIG-ZETCQYMHSA-N 0 0 199.323 2.938 10 0 AFAERN CCCCC[C@@](C)(CC)CO 34355673 572077322 /nfs/dbraw/zinc/07/73/22/572077322.db2.gz JILNFHMXFBDGGA-SNVBAGLBSA-N 0 0 158.285 2.975 10 0 AFAERN CCC(CC)[C@H](C)Nc1cccnn1 82633380 572077344 /nfs/dbraw/zinc/07/73/44/572077344.db2.gz DVYLDFURLFKOOZ-VIFPVBQESA-N 0 0 193.294 2.713 10 0 AFAERN CCCn1ccc2ccc(CO)cc21 34404618 572077414 /nfs/dbraw/zinc/07/74/14/572077414.db2.gz PWQWVDMURPNFPS-UHFFFAOYSA-N 0 0 189.258 2.544 10 0 AFAERN CCCOc1cccc(Cl)c1C=O 37025617 572077426 /nfs/dbraw/zinc/07/74/26/572077426.db2.gz CRSLUTUEVHUXST-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CCC(CC)[C@@H](C)Nc1cnccn1 82633443 572077458 /nfs/dbraw/zinc/07/74/58/572077458.db2.gz INCRYTLOUUXLJT-SECBINFHSA-N 0 0 193.294 2.713 10 0 AFAERN CC(C)C(=O)CCc1ccccc1F 36988274 572077512 /nfs/dbraw/zinc/07/75/12/572077512.db2.gz DDONUSYDBKERKK-UHFFFAOYSA-N 0 0 194.249 2.983 10 0 AFAERN Cc1cc2c(cc1O)CCC(C)(C)O2 34364844 572077582 /nfs/dbraw/zinc/07/75/82/572077582.db2.gz DUGFMMSCINLOLG-UHFFFAOYSA-N 0 0 192.258 2.804 10 0 AFAERN O=Cc1oc2cccc3occc1c32 34386334 572077622 /nfs/dbraw/zinc/07/76/22/572077622.db2.gz HFDBBZICVQBXPC-UHFFFAOYSA-N 0 0 186.166 2.992 10 0 AFAERN CCCCSC[C@@H](O)C(C)C 300926882 572077662 /nfs/dbraw/zinc/07/76/62/572077662.db2.gz VGJIFJSDBQCCRF-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CCC(CC)[C@@H](C)Nc1ccncn1 82633477 572077753 /nfs/dbraw/zinc/07/77/53/572077753.db2.gz OCQMXIQFOYXQLO-SECBINFHSA-N 0 0 193.294 2.713 10 0 AFAERN CC1=C[C@H]2C(=O)[C@@H](CC1)C2(C)C 34361098 572077931 /nfs/dbraw/zinc/07/79/31/572077931.db2.gz JRHRPMAMKLPFDD-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN Nc1ccc([C@H]2C=CCC2)cc1 34403919 572078064 /nfs/dbraw/zinc/07/80/64/572078064.db2.gz OAAGCVYOCCCPFM-VIFPVBQESA-N 0 0 159.232 2.702 10 0 AFAERN CC(C)[C@@H]1CC[C@@H](C(C)C)C1=O 34365165 572078020 /nfs/dbraw/zinc/07/80/20/572078020.db2.gz XCBQIDBGSMUAQJ-UWVGGRQHSA-N 0 0 168.280 2.894 10 0 AFAERN CCCOc1cccc(F)c1C(C)=O 37025593 572078030 /nfs/dbraw/zinc/07/80/30/572078030.db2.gz DKJZWQLSMFGVTQ-UHFFFAOYSA-N 0 0 196.221 2.817 10 0 AFAERN CCCCSC[C@H](O)C(C)C 300926883 572078047 /nfs/dbraw/zinc/07/80/47/572078047.db2.gz VGJIFJSDBQCCRF-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)[C@H]1CC[C@H](C(C)C)C1=O 34365164 572078052 /nfs/dbraw/zinc/07/80/52/572078052.db2.gz XCBQIDBGSMUAQJ-NXEZZACHSA-N 0 0 168.280 2.894 10 0 AFAERN CCc1n[nH]c(C[C@@H](C)C(C)(C)C)n1 82636472 572078116 /nfs/dbraw/zinc/07/81/16/572078116.db2.gz GJKGARXZYNPBSF-MRVPVSSYSA-N 0 0 195.310 2.592 10 0 AFAERN O=C1C2(CCC2)CCC12CCC2 34410948 572078276 /nfs/dbraw/zinc/07/82/76/572078276.db2.gz LISHCDSTFUZNFA-UHFFFAOYSA-N 0 0 164.248 2.690 10 0 AFAERN CC[C@@H]1CCc2ccc(O)cc2C1 34413736 572078266 /nfs/dbraw/zinc/07/82/66/572078266.db2.gz SHLPJPBKMQYEGS-SECBINFHSA-N 0 0 176.259 2.907 10 0 AFAERN Cc1ccccc1-c1cccc(N)n1 38069004 572078267 /nfs/dbraw/zinc/07/82/67/572078267.db2.gz VDCGEVBSHNKRFX-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1c(C=O)ssc1=S 34410460 572079230 /nfs/dbraw/zinc/07/92/30/572079230.db2.gz SNLNWIPPWOFAEJ-UHFFFAOYSA-N 0 0 176.287 2.660 10 0 AFAERN CC1=CCC[C@H](O)C12CCCC2 34408190 572078534 /nfs/dbraw/zinc/07/85/34/572078534.db2.gz QQYXLKAKJRZRJV-JTQLQIEISA-N 0 0 166.264 2.648 10 0 AFAERN C/C=C/C(=O)N[C@@H](C)C(CC)CC 82644290 572078648 /nfs/dbraw/zinc/07/86/48/572078648.db2.gz FLFGQWBEWYQRKX-QRJSTWQJSA-N 0 0 183.295 2.503 10 0 AFAERN CCC(CC)[C@@H](C)NC(=O)C(C)(C)C 82644291 572078653 /nfs/dbraw/zinc/07/86/53/572078653.db2.gz QXGHIOSSPIUBHZ-SECBINFHSA-N 0 0 199.338 2.973 10 0 AFAERN CCO[C@@H](C)n1cnc2ccccc21 34406620 572078714 /nfs/dbraw/zinc/07/87/14/572078714.db2.gz XPDPVEFLPLLXDJ-VIFPVBQESA-N 0 0 190.246 2.591 10 0 AFAERN O[C@@H]1CC[C@H](c2cccc(Cl)c2)O1 34408589 572078723 /nfs/dbraw/zinc/07/87/23/572078723.db2.gz TUTNWSWLMMACFL-ZJUUUORDSA-N 0 0 198.649 2.510 10 0 AFAERN CCOc1ncccc1N[C@H](C)CC 37026318 572078736 /nfs/dbraw/zinc/07/87/36/572078736.db2.gz TYCSKCMSEYWFJR-SECBINFHSA-N 0 0 194.278 2.691 10 0 AFAERN C[C@@H]1CCC2=CCC=C[C@@]2(C)C1=O 34413746 572078763 /nfs/dbraw/zinc/07/87/63/572078763.db2.gz SCZUFZDZKXTGPM-BXKDBHETSA-N 0 0 176.259 2.878 10 0 AFAERN C[C@@H]1CCC2=CCC=C[C@]2(C)C1=O 34413742 572079165 /nfs/dbraw/zinc/07/91/65/572079165.db2.gz SCZUFZDZKXTGPM-SKDRFNHKSA-N 0 0 176.259 2.878 10 0 AFAERN CC(C)=CCCC(=O)C(C)C 34410231 572078809 /nfs/dbraw/zinc/07/88/09/572078809.db2.gz URKUNDHVYFJMNL-UHFFFAOYSA-N 0 0 154.253 2.958 10 0 AFAERN CCOc1ncccc1N[C@@H](C)CC 37026319 572078819 /nfs/dbraw/zinc/07/88/19/572078819.db2.gz TYCSKCMSEYWFJR-VIFPVBQESA-N 0 0 194.278 2.691 10 0 AFAERN CCOC(=O)N[C@@H](C)C(CC)CC 82644300 572078830 /nfs/dbraw/zinc/07/88/30/572078830.db2.gz IQWHRSFWMZWLLC-QMMMGPOBSA-N 0 0 187.283 2.557 10 0 AFAERN CCc1n[nH]c(C[C@H](C)C(C)(C)C)n1 82636474 572078880 /nfs/dbraw/zinc/07/88/80/572078880.db2.gz GJKGARXZYNPBSF-QMMMGPOBSA-N 0 0 195.310 2.592 10 0 AFAERN CCc1ccc(CCC(C)=O)s1 36988225 572078916 /nfs/dbraw/zinc/07/89/16/572078916.db2.gz XWOSWAPCLBMPHW-UHFFFAOYSA-N 0 0 182.288 2.832 10 0 AFAERN C[C@@H]1CC[C@]2(CCCC(=O)C2)C1 34411366 572079118 /nfs/dbraw/zinc/07/91/18/572079118.db2.gz WQOFBWCAVMVJFK-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN c1csc(CCc2ccncc2)c1 34412464 572079207 /nfs/dbraw/zinc/07/92/07/572079207.db2.gz RXBFTGZREYHBAZ-UHFFFAOYSA-N 0 0 189.283 2.928 10 0 AFAERN C[C@H]1CC[C@@]2(CCCC(=O)C2)C1 34411369 572079277 /nfs/dbraw/zinc/07/92/77/572079277.db2.gz WQOFBWCAVMVJFK-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN c1cc(Cc2ccsc2)ccn1 34412461 572079292 /nfs/dbraw/zinc/07/92/92/572079292.db2.gz VCEFYLOVHFSAMG-UHFFFAOYSA-N 0 0 175.256 2.734 10 0 AFAERN Oc1ccc(O)c2c1C1CCC2CC1 34410337 572079338 /nfs/dbraw/zinc/07/93/38/572079338.db2.gz BXSBMFAVVSOYKU-UHFFFAOYSA-N 0 0 190.242 2.853 10 0 AFAERN CC1(C)CCc2cc(F)ccc2C1=O 34412542 572079359 /nfs/dbraw/zinc/07/93/59/572079359.db2.gz HRGXUPOVBZNHEM-UHFFFAOYSA-N 0 0 192.233 2.981 10 0 AFAERN FC(F)c1nc2ccccc2o1 34413422 572079458 /nfs/dbraw/zinc/07/94/58/572079458.db2.gz UDIPXWGWAFYJOU-UHFFFAOYSA-N 0 0 169.130 2.765 10 0 AFAERN Cc1cccc(C(=O)c2ccoc2)c1 34414229 572079502 /nfs/dbraw/zinc/07/95/02/572079502.db2.gz QKCGQGQWEUNSLJ-UHFFFAOYSA-N 0 0 186.210 2.819 10 0 AFAERN C[C@H]1CC[C@]2(CCCC(=O)C2)C1 34411367 572079635 /nfs/dbraw/zinc/07/96/35/572079635.db2.gz WQOFBWCAVMVJFK-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN C=C(C)c1cccc(Cl)n1 34427146 572080411 /nfs/dbraw/zinc/08/04/11/572080411.db2.gz UHSBUMQTKDTCLG-UHFFFAOYSA-N 0 0 153.612 2.768 10 0 AFAERN Clc1cc[nH]c1-c1ccco1 34413329 572079681 /nfs/dbraw/zinc/07/96/81/572079681.db2.gz JSVNEZIIJXOLKI-UHFFFAOYSA-N 0 0 167.595 2.928 10 0 AFAERN C[C@@H]1CCC[C@@H]2CCCC(=O)[C@@H]12 34413292 572079731 /nfs/dbraw/zinc/07/97/31/572079731.db2.gz ADCLXQLITSCSRK-KKZNHRDASA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CCC2=CCC=C[C@@]2(C)C1=O 34413748 572079789 /nfs/dbraw/zinc/07/97/89/572079789.db2.gz SCZUFZDZKXTGPM-JOYOIKCWSA-N 0 0 176.259 2.878 10 0 AFAERN CC[C@H]1CCc2ccc(O)cc2C1 34413738 572079834 /nfs/dbraw/zinc/07/98/34/572079834.db2.gz SHLPJPBKMQYEGS-VIFPVBQESA-N 0 0 176.259 2.907 10 0 AFAERN C[C@H]1CCC2=CCC=C[C@]2(C)C1=O 34413744 572079838 /nfs/dbraw/zinc/07/98/38/572079838.db2.gz SCZUFZDZKXTGPM-CABZTGNLSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1ccnc([C@@H](O)CCC(C)C)c1 82643603 572079866 /nfs/dbraw/zinc/07/98/66/572079866.db2.gz VUHDWAJBRCYQQX-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN O[C@@H]1CC[C@@H](c2cccc(Cl)c2)O1 34408588 572079901 /nfs/dbraw/zinc/07/99/01/572079901.db2.gz TUTNWSWLMMACFL-UWVGGRQHSA-N 0 0 198.649 2.510 10 0 AFAERN CC(C)C(=O)CCc1cccc(F)c1 36988265 572079922 /nfs/dbraw/zinc/07/99/22/572079922.db2.gz LCDLJHVSVXNCHL-UHFFFAOYSA-N 0 0 194.249 2.983 10 0 AFAERN O[C@H]1CC[C@@H](c2cccc(Cl)c2)O1 34408586 572079935 /nfs/dbraw/zinc/07/99/35/572079935.db2.gz TUTNWSWLMMACFL-VHSXEESVSA-N 0 0 198.649 2.510 10 0 AFAERN C/C=C/C(=O)N[C@H](C)C(CC)CC 82644289 572080015 /nfs/dbraw/zinc/08/00/15/572080015.db2.gz FLFGQWBEWYQRKX-WHXYTISESA-N 0 0 183.295 2.503 10 0 AFAERN CCC(CC)[C@@H](C)NC(=O)C(C)C 82644299 572080070 /nfs/dbraw/zinc/08/00/70/572080070.db2.gz LYRVJIHFHYNORG-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN c1csc([C@H]2CCCCO2)c1 34413395 572080088 /nfs/dbraw/zinc/08/00/88/572080088.db2.gz LKXPORDVPQOZGZ-MRVPVSSYSA-N 0 0 168.261 2.990 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1cc(C)ccn1 82643576 572080177 /nfs/dbraw/zinc/08/01/77/572080177.db2.gz IQYYUGWXCBGBNE-SKDRFNHKSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1cc(C)ccn1 82643579 572080430 /nfs/dbraw/zinc/08/04/30/572080430.db2.gz IQYYUGWXCBGBNE-JOYOIKCWSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@H](C)C[C@H](O)c1cc(C)ccn1 82643577 572080249 /nfs/dbraw/zinc/08/02/49/572080249.db2.gz IQYYUGWXCBGBNE-CABZTGNLSA-N 0 0 193.290 2.860 10 0 AFAERN CCCC[C@H](O)c1cc(C)ccn1 82643565 572080356 /nfs/dbraw/zinc/08/03/56/572080356.db2.gz FEHHFTWHKIVAJJ-NSHDSACASA-N 0 0 179.263 2.614 10 0 AFAERN CCC(CC)[C@H](C)NC(=O)C(C)(C)C 82644292 572080380 /nfs/dbraw/zinc/08/03/80/572080380.db2.gz QXGHIOSSPIUBHZ-VIFPVBQESA-N 0 0 199.338 2.973 10 0 AFAERN Cc1ccc2cc(O)c(C)c(O)c2c1 34423966 572080536 /nfs/dbraw/zinc/08/05/36/572080536.db2.gz AFCUSINNHADUQU-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN Oc1ccc(-c2c[nH]c(=S)o2)cc1 34440815 572080621 /nfs/dbraw/zinc/08/06/21/572080621.db2.gz ZIPSDFGIPZFVLX-UHFFFAOYSA-N 0 0 193.227 2.710 10 0 AFAERN CC(C)C(C)(C)CNc1ccn(C)n1 713209648 572080716 /nfs/dbraw/zinc/08/07/16/572080716.db2.gz WMUBPEPWAYOJIX-UHFFFAOYSA-N 0 0 195.310 2.514 10 0 AFAERN CC12CCC(CC1)C(C)(C)C2=O 34426267 572080736 /nfs/dbraw/zinc/08/07/36/572080736.db2.gz SMWQXDIDJQZSOE-UHFFFAOYSA-N 0 0 166.264 2.792 10 0 AFAERN CCCCC(=O)c1cc(C)ccn1 82643471 572080903 /nfs/dbraw/zinc/08/09/03/572080903.db2.gz SNOJYEDMDGKUJB-UHFFFAOYSA-N 0 0 177.247 2.763 10 0 AFAERN C[C@]12CCCC[C@@H]1C[C@@H](O)CC2 16929095 572080944 /nfs/dbraw/zinc/08/09/44/572080944.db2.gz ZGVYVWSAAMJYCN-OUAUKWLOSA-N 0 0 168.280 2.728 10 0 AFAERN CC1=CC[C@H]2CC(=O)[C@@H]1C2(C)C 34426375 572081008 /nfs/dbraw/zinc/08/10/08/572081008.db2.gz GQJWHWVNEJBEPZ-WCBMZHEXSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccnc([C@H](O)CCC(C)C)c1 82643602 572081030 /nfs/dbraw/zinc/08/10/30/572081030.db2.gz VUHDWAJBRCYQQX-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN C/C=C\COc1ccccc1F 214889522 572081122 /nfs/dbraw/zinc/08/11/22/572081122.db2.gz SZIXQBZSRXQYBC-IHWYPQMZSA-N 0 0 166.195 2.781 10 0 AFAERN COCCCC[C@](C)(O)CC(C)C 686325522 572081182 /nfs/dbraw/zinc/08/11/82/572081182.db2.gz FEAVGVMWSZHIOX-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CCc1cc(Cl)c(C)cc1O 34426887 572081273 /nfs/dbraw/zinc/08/12/73/572081273.db2.gz ZSTDEWVWZHPUCW-UHFFFAOYSA-N 0 0 170.639 2.916 10 0 AFAERN C/C=C/c1ccccc1[C@H](C)O 34448699 572081285 /nfs/dbraw/zinc/08/12/85/572081285.db2.gz FPKYFLPQKZRWFV-SWTNXBIASA-N 0 0 162.232 2.773 10 0 AFAERN Cc1occ(-c2ccccc2)c1CO 34440121 572081290 /nfs/dbraw/zinc/08/12/90/572081290.db2.gz XJTICYIXEFOKLI-UHFFFAOYSA-N 0 0 188.226 2.747 10 0 AFAERN CC(=O)c1cccc2c(C)nsc12 34447800 572081291 /nfs/dbraw/zinc/08/12/91/572081291.db2.gz PJTMQIKJOUQPAT-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN CCC[C@@H](C)Nc1cccc(CO)c1 37048534 572081344 /nfs/dbraw/zinc/08/13/44/572081344.db2.gz FWKONLZDUOJTOA-SNVBAGLBSA-N 0 0 193.290 2.779 10 0 AFAERN CCCN(CC)c1cccc(N)c1 37094489 572081368 /nfs/dbraw/zinc/08/13/68/572081368.db2.gz KFRVANRNMYPZDR-UHFFFAOYSA-N 0 0 178.279 2.505 10 0 AFAERN CCC(CC)[C@@H](O)c1cccnc1 82676666 572081386 /nfs/dbraw/zinc/08/13/86/572081386.db2.gz QPHAKVFOMUSPQG-LLVKDONJSA-N 0 0 179.263 2.551 10 0 AFAERN O=C(c1ccccc1)C1CC=CC1 34449152 572082276 /nfs/dbraw/zinc/08/22/76/572082276.db2.gz TUPDFFDKTKKEDW-UHFFFAOYSA-N 0 0 172.227 2.836 10 0 AFAERN CCCN(CC)c1ccc(C)cc1N 37094486 572081439 /nfs/dbraw/zinc/08/14/39/572081439.db2.gz DNXQSPGZZGYEBW-UHFFFAOYSA-N 0 0 192.306 2.814 10 0 AFAERN O=Cc1ncccc1-c1ccccc1 34449654 572081456 /nfs/dbraw/zinc/08/14/56/572081456.db2.gz SQLOVHBDMDXZPP-UHFFFAOYSA-N 0 0 183.210 2.561 10 0 AFAERN Nc1cc(C2CCCC2)ccc1O 34439948 572081469 /nfs/dbraw/zinc/08/14/69/572081469.db2.gz GDYGUFJIJFXXQE-UHFFFAOYSA-N 0 0 177.247 2.632 10 0 AFAERN CCCCCNc1cccnc1OC 37070300 572081624 /nfs/dbraw/zinc/08/16/24/572081624.db2.gz IQBVRHYYHYRUFU-UHFFFAOYSA-N 0 0 194.278 2.692 10 0 AFAERN CCC(CC)[C@@H](O)c1cncc(F)c1 82676856 572081636 /nfs/dbraw/zinc/08/16/36/572081636.db2.gz NNPQCOAHZQWQAT-LLVKDONJSA-N 0 0 197.253 2.690 10 0 AFAERN O=Cc1cocc1-c1ccccc1 34440117 572081641 /nfs/dbraw/zinc/08/16/41/572081641.db2.gz WNBISMIPMQKVEN-UHFFFAOYSA-N 0 0 172.183 2.759 10 0 AFAERN CCCC[C@@H](O)CC(C)(C)C 82673713 572081769 /nfs/dbraw/zinc/08/17/69/572081769.db2.gz IVLDCRDTRQCTIY-SECBINFHSA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)C(=O)OC(C)(C)C 82671142 572081838 /nfs/dbraw/zinc/08/18/38/572081838.db2.gz NNHSWENJPPLKPW-QMMMGPOBSA-N 0 0 172.268 2.764 10 0 AFAERN CSCC[C@H](O)c1cccc(C)c1 82679251 572081851 /nfs/dbraw/zinc/08/18/51/572081851.db2.gz AVNZUJJOWFSHJP-NSHDSACASA-N 0 0 196.315 2.782 10 0 AFAERN O=C1CC[C@H]2CCOc3cccc1c32 34449941 572081893 /nfs/dbraw/zinc/08/18/93/572081893.db2.gz UKCFWZILJAUPFL-QMMMGPOBSA-N 0 0 188.226 2.529 10 0 AFAERN Cc1c(O)cc2ccccc2c1O 34423964 572081933 /nfs/dbraw/zinc/08/19/33/572081933.db2.gz NUIISRXJDDGJAW-UHFFFAOYSA-N 0 0 174.199 2.559 10 0 AFAERN CCC(CC)[C@@H](O)CC(C)C 82676729 572081945 /nfs/dbraw/zinc/08/19/45/572081945.db2.gz INYVEGHMUSVVJO-JTQLQIEISA-N 0 0 158.285 2.830 10 0 AFAERN C[C@@]1(F)CCc2ccccc2C1=O 34427819 572081958 /nfs/dbraw/zinc/08/19/58/572081958.db2.gz KUHPHKLCWLRLRS-LLVKDONJSA-N 0 0 178.206 2.544 10 0 AFAERN O=C1CC[C@@H]2CCOc3cccc1c32 34449943 572081959 /nfs/dbraw/zinc/08/19/59/572081959.db2.gz UKCFWZILJAUPFL-MRVPVSSYSA-N 0 0 188.226 2.529 10 0 AFAERN CC(C)CC[C@](C)(N)C(F)(F)F 82670673 572081960 /nfs/dbraw/zinc/08/19/60/572081960.db2.gz XCCPAORYBKGXFZ-ZETCQYMHSA-N 0 0 183.217 2.702 10 0 AFAERN CC(C)(C)CC(=O)CC1CCOCC1 82673575 572081998 /nfs/dbraw/zinc/08/19/98/572081998.db2.gz NQYMPQJAUMSSHQ-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCC(CC)[C@H](O)C1CCCC1 82676667 572082011 /nfs/dbraw/zinc/08/20/11/572082011.db2.gz RLIVSLICMYONOZ-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN Clc1nsc2c1CCCC2 34449205 572082012 /nfs/dbraw/zinc/08/20/12/572082012.db2.gz NUQCLMVCYRVHNL-UHFFFAOYSA-N 0 0 173.668 2.675 10 0 AFAERN CCCC[C@H](O)CC(C)(C)C 82673711 572082033 /nfs/dbraw/zinc/08/20/33/572082033.db2.gz IVLDCRDTRQCTIY-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@@H](O)C[C@@H](C)c1ccccc1 82678504 572082119 /nfs/dbraw/zinc/08/21/19/572082119.db2.gz UPLTZUMBJJYLIW-ZYHUDNBSSA-N 0 0 178.275 2.951 10 0 AFAERN CCCC[C@@H](O)c1ccc(C)nc1 82679223 572083157 /nfs/dbraw/zinc/08/31/57/572083157.db2.gz BCSXLVZKVGWIHL-LLVKDONJSA-N 0 0 179.263 2.614 10 0 AFAERN Cc1cc2c([nH]1)c1ccccc1n2C 34449714 572082166 /nfs/dbraw/zinc/08/21/66/572082166.db2.gz WSBFIUCHKUCFGP-UHFFFAOYSA-N 0 0 184.242 2.968 10 0 AFAERN C[C@H]1CCC[C@@H](C)C1(N)C(F)(F)F 82670641 572082195 /nfs/dbraw/zinc/08/21/95/572082195.db2.gz GHQYALIVTMMCDZ-DHBOJHSNSA-N 0 0 195.228 2.702 10 0 AFAERN CCC(CC)C(=O)OC(C)(C)C 82671026 572082210 /nfs/dbraw/zinc/08/22/10/572082210.db2.gz KMVTVHXTXWKBSQ-UHFFFAOYSA-N 0 0 172.268 2.764 10 0 AFAERN O[C@H](C1=CCCCC1)c1ccco1 34449394 572082246 /nfs/dbraw/zinc/08/22/46/572082246.db2.gz OIBLJWQDJJVMTH-LLVKDONJSA-N 0 0 178.231 2.813 10 0 AFAERN CC[C@@H](O)c1ccc([C@@H]2C[C@@H]2C)o1 82677050 572082286 /nfs/dbraw/zinc/08/22/86/572082286.db2.gz SHYJNJZJOZOYQT-DJLDLDEBSA-N 0 0 180.247 2.846 10 0 AFAERN CSCC[C@@H](O)c1ccc(C)cc1 82679362 572082352 /nfs/dbraw/zinc/08/23/52/572082352.db2.gz LEMPWSOATIDHIZ-LLVKDONJSA-N 0 0 196.315 2.782 10 0 AFAERN O=Cc1cc2c(o1)CCC=C2Cl 34449637 572082355 /nfs/dbraw/zinc/08/23/55/572082355.db2.gz GPUUUZCBJJGNOO-UHFFFAOYSA-N 0 0 182.606 2.618 10 0 AFAERN O=C1CCC2(C1)C[C@@H]1CCC[C@H]1C2 34449405 572082394 /nfs/dbraw/zinc/08/23/94/572082394.db2.gz FGWWTURXTLSSDY-UWVGGRQHSA-N 0 0 178.275 2.936 10 0 AFAERN C/C=C/c1ccccc1[C@@H](C)O 34448715 572082416 /nfs/dbraw/zinc/08/24/16/572082416.db2.gz FPKYFLPQKZRWFV-BSPAPZMXSA-N 0 0 162.232 2.773 10 0 AFAERN CCCCCC[C@H](N)C(F)(F)F 82670858 572082474 /nfs/dbraw/zinc/08/24/74/572082474.db2.gz ABFFFMOFSKFMBE-ZETCQYMHSA-N 0 0 183.217 2.846 10 0 AFAERN COCCCC[C@@](C)(O)CC(C)C 686325521 572082548 /nfs/dbraw/zinc/08/25/48/572082548.db2.gz FEAVGVMWSZHIOX-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CSCC[C@@H](O)c1cccc(C)c1 82679249 572083345 /nfs/dbraw/zinc/08/33/45/572083345.db2.gz AVNZUJJOWFSHJP-LLVKDONJSA-N 0 0 196.315 2.782 10 0 AFAERN CSCC[C@H](O)c1ccc(C)cc1 82679364 572082590 /nfs/dbraw/zinc/08/25/90/572082590.db2.gz LEMPWSOATIDHIZ-NSHDSACASA-N 0 0 196.315 2.782 10 0 AFAERN CCCC(N)(CCC)C(F)(F)F 82670607 572082630 /nfs/dbraw/zinc/08/26/30/572082630.db2.gz JZALEBKSVCFKQV-UHFFFAOYSA-N 0 0 183.217 2.846 10 0 AFAERN CCCC[C@H](O)c1ccc(C)nc1 82679221 572082658 /nfs/dbraw/zinc/08/26/58/572082658.db2.gz BCSXLVZKVGWIHL-NSHDSACASA-N 0 0 179.263 2.614 10 0 AFAERN CC(C)(C)OC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 82671127 572082670 /nfs/dbraw/zinc/08/26/70/572082670.db2.gz PDRJTQBVOXDUDH-AEJSXWLSSA-N 0 0 196.290 2.764 10 0 AFAERN CSCC[C@H](O)C1CCCCC1 82679387 572082675 /nfs/dbraw/zinc/08/26/75/572082675.db2.gz HTROHSWVMUYHMF-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CCCCCOc1ccc(N)cc1F 37064786 572082680 /nfs/dbraw/zinc/08/26/80/572082680.db2.gz NNVMQMPFXMSLDX-UHFFFAOYSA-N 0 0 197.253 2.977 10 0 AFAERN CC[C@H](O)C[C@H](C)c1ccccc1 82678505 572082696 /nfs/dbraw/zinc/08/26/96/572082696.db2.gz UPLTZUMBJJYLIW-JQWIXIFHSA-N 0 0 178.275 2.951 10 0 AFAERN C[C@H](CCO)Nc1ccc(Cl)cc1 34463688 572082741 /nfs/dbraw/zinc/08/27/41/572082741.db2.gz QBVRRNQJMBFTHK-MRVPVSSYSA-N 0 0 199.681 2.523 10 0 AFAERN CCn1cc(C(=O)CC(C)(C)C)cn1 82673582 572082764 /nfs/dbraw/zinc/08/27/64/572082764.db2.gz HBTIKXQZPMJPAJ-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN C[C@@]12CCCC[C@@H]1C[C@@H](O)CC2 16929091 572083354 /nfs/dbraw/zinc/08/33/54/572083354.db2.gz ZGVYVWSAAMJYCN-VWYCJHECSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H](O)C[C@@H](C)c1ccccc1 82678502 572082784 /nfs/dbraw/zinc/08/27/84/572082784.db2.gz UPLTZUMBJJYLIW-PWSUYJOCSA-N 0 0 178.275 2.951 10 0 AFAERN CCc1ccc([C@H](O)CC(C)C)o1 82677583 572082850 /nfs/dbraw/zinc/08/28/50/572082850.db2.gz HQKLDSFHJMCRFM-SNVBAGLBSA-N 0 0 182.263 2.922 10 0 AFAERN CCCC[C@@H](O)c1cnn(CCC)c1 82679149 572082982 /nfs/dbraw/zinc/08/29/82/572082982.db2.gz NBWYZFXATHSMHS-LLVKDONJSA-N 0 0 196.294 2.517 10 0 AFAERN C[C@]12CCCC[C@H]1C[C@@H](O)CC2 16929101 572083001 /nfs/dbraw/zinc/08/30/01/572083001.db2.gz ZGVYVWSAAMJYCN-GARJFASQSA-N 0 0 168.280 2.728 10 0 AFAERN CCCC[C@@H](C)c1cnc([C@@H](C)N)o1 300931233 572083011 /nfs/dbraw/zinc/08/30/11/572083011.db2.gz MMGUNOZAAZSOOA-RKDXNWHRSA-N 0 0 196.294 2.988 10 0 AFAERN CCCCCC[C@@H](N)C(F)(F)F 82670860 572083129 /nfs/dbraw/zinc/08/31/29/572083129.db2.gz ABFFFMOFSKFMBE-SSDOTTSWSA-N 0 0 183.217 2.846 10 0 AFAERN CCC[C@@H]1C(=O)[C@H]2CCC=C[C@@H]12 34469676 572083138 /nfs/dbraw/zinc/08/31/38/572083138.db2.gz XDOGXIKQRIJVHZ-GUBZILKMSA-N 0 0 164.248 2.568 10 0 AFAERN CSCC[C@@H](O)C1CCCCC1 82679390 572083166 /nfs/dbraw/zinc/08/31/66/572083166.db2.gz HTROHSWVMUYHMF-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CCc1ccc([C@@H](O)CC(C)C)o1 82677584 572083169 /nfs/dbraw/zinc/08/31/69/572083169.db2.gz HQKLDSFHJMCRFM-JTQLQIEISA-N 0 0 182.263 2.922 10 0 AFAERN CC[C@@H](O)C[C@H](C)c1ccccc1 82678507 572083184 /nfs/dbraw/zinc/08/31/84/572083184.db2.gz UPLTZUMBJJYLIW-CMPLNLGQSA-N 0 0 178.275 2.951 10 0 AFAERN CCC[C@H](C)Nc1cccc(CO)c1 37048535 572083334 /nfs/dbraw/zinc/08/33/34/572083334.db2.gz FWKONLZDUOJTOA-JTQLQIEISA-N 0 0 193.290 2.779 10 0 AFAERN CCC(CC)[C@H](O)c1ccc(C)nc1 82676844 572083271 /nfs/dbraw/zinc/08/32/71/572083271.db2.gz UGOIFXCFBDVQDV-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@@H](O)c1ccc([C@H]2C[C@@H]2C)o1 82677052 572083286 /nfs/dbraw/zinc/08/32/86/572083286.db2.gz SHYJNJZJOZOYQT-XHNCKOQMSA-N 0 0 180.247 2.846 10 0 AFAERN CCCOc1cccc([C@H](O)CC)c1 82675523 572083289 /nfs/dbraw/zinc/08/32/89/572083289.db2.gz KBZRAAPXWCSZPM-GFCCVEGCSA-N 0 0 194.274 2.919 10 0 AFAERN COc1c(O)c(C)cc2ccccc12 34464231 572083551 /nfs/dbraw/zinc/08/35/51/572083551.db2.gz KCTNGGOWZSCMMO-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CCCC[C@H](C)c1cnc([C@@H](C)N)o1 300931231 572083585 /nfs/dbraw/zinc/08/35/85/572083585.db2.gz MMGUNOZAAZSOOA-DTWKUNHWSA-N 0 0 196.294 2.988 10 0 AFAERN Oc1ccccc1O[C@@H]1C=CCCC1 34455215 572083625 /nfs/dbraw/zinc/08/36/25/572083625.db2.gz YSAXVMUTILSSOG-SNVBAGLBSA-N 0 0 190.242 2.880 10 0 AFAERN CCCC[C@H](C)c1cnc([C@H](C)N)o1 300931232 572083944 /nfs/dbraw/zinc/08/39/44/572083944.db2.gz MMGUNOZAAZSOOA-IUCAKERBSA-N 0 0 196.294 2.988 10 0 AFAERN CC[C@@H](CC(C)=O)C(C)C 34464499 572083947 /nfs/dbraw/zinc/08/39/47/572083947.db2.gz JMCJUXDMFZSMLG-VIFPVBQESA-N 0 0 142.242 2.648 10 0 AFAERN CCC(CC)[C@H](O)c1cccnc1 82676665 572083648 /nfs/dbraw/zinc/08/36/48/572083648.db2.gz QPHAKVFOMUSPQG-NSHDSACASA-N 0 0 179.263 2.551 10 0 AFAERN CCCOc1cccc([C@@H](O)CC)c1 82675525 572083732 /nfs/dbraw/zinc/08/37/32/572083732.db2.gz KBZRAAPXWCSZPM-LBPRGKRZSA-N 0 0 194.274 2.919 10 0 AFAERN CCCN(CC)c1ccccc1N 37094504 572083939 /nfs/dbraw/zinc/08/39/39/572083939.db2.gz RIJCNAWUPHKUHU-UHFFFAOYSA-N 0 0 178.279 2.505 10 0 AFAERN CCC(CC)[C@@H](O)c1ccc(C)nc1 82676847 572083774 /nfs/dbraw/zinc/08/37/74/572083774.db2.gz UGOIFXCFBDVQDV-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CCC[C@@H](O)C(Cl)(Cl)Cl 34455229 572083821 /nfs/dbraw/zinc/08/38/21/572083821.db2.gz SVAKATAIERQRAG-SCSAIBSYSA-N 0 0 191.485 2.518 10 0 AFAERN C[C@@H](CCO)Nc1ccc(Cl)cc1 34463687 572083840 /nfs/dbraw/zinc/08/38/40/572083840.db2.gz QBVRRNQJMBFTHK-QMMMGPOBSA-N 0 0 199.681 2.523 10 0 AFAERN CCC(CC)[C@](C)(O)C(C)(C)OC 300932069 572083843 /nfs/dbraw/zinc/08/38/43/572083843.db2.gz FQJFQDCDINSEBM-NSHDSACASA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 82671124 572083852 /nfs/dbraw/zinc/08/38/52/572083852.db2.gz PDRJTQBVOXDUDH-IVZWLZJFSA-N 0 0 196.290 2.764 10 0 AFAERN CCCN(CC)c1ccc(N)cc1F 37094490 572083853 /nfs/dbraw/zinc/08/38/53/572083853.db2.gz SNPFRIUMYWGOSX-UHFFFAOYSA-N 0 0 196.269 2.644 10 0 AFAERN CCC(CC)[C@@H](O)C1CCCC1 82676669 572083881 /nfs/dbraw/zinc/08/38/81/572083881.db2.gz RLIVSLICMYONOZ-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)(C)OC(=O)CCc1ccco1 82671091 572083892 /nfs/dbraw/zinc/08/38/92/572083892.db2.gz HLNZHGQSEKFPOL-UHFFFAOYSA-N 0 0 196.246 2.554 10 0 AFAERN CC(C)=C=CC[C@H](C)CCO 34454875 572083911 /nfs/dbraw/zinc/08/39/11/572083911.db2.gz WFOLCVFEODGICN-JTQLQIEISA-N 0 0 154.253 2.516 10 0 AFAERN Oc1ccccc1O[C@H]1C=CCCC1 34455214 572084011 /nfs/dbraw/zinc/08/40/11/572084011.db2.gz YSAXVMUTILSSOG-JTQLQIEISA-N 0 0 190.242 2.880 10 0 AFAERN O[C@@H]1C=C[C@@H](Cc2ccccc2)CC1 34454600 572084058 /nfs/dbraw/zinc/08/40/58/572084058.db2.gz CSTJWPJIJRVQCH-CHWSQXEVSA-N 0 0 188.270 2.556 10 0 AFAERN O=Cc1ccc2cccc3c2c1CC3 34454658 572084116 /nfs/dbraw/zinc/08/41/16/572084116.db2.gz VEALXHWSYJYDKI-UHFFFAOYSA-N 0 0 182.222 2.751 10 0 AFAERN CCCC[C@@H](C)c1cnc([C@H](C)N)o1 300931230 572084128 /nfs/dbraw/zinc/08/41/28/572084128.db2.gz MMGUNOZAAZSOOA-BDAKNGLRSA-N 0 0 196.294 2.988 10 0 AFAERN CC[C@H](CC(C)=O)C(C)C 34464500 572084170 /nfs/dbraw/zinc/08/41/70/572084170.db2.gz JMCJUXDMFZSMLG-SECBINFHSA-N 0 0 142.242 2.648 10 0 AFAERN O[C@@H]1C=C[C@H](Cc2ccccc2)CC1 34454599 572084212 /nfs/dbraw/zinc/08/42/12/572084212.db2.gz CSTJWPJIJRVQCH-QWHCGFSZSA-N 0 0 188.270 2.556 10 0 AFAERN CCC[C@@H]1C(=O)[C@H]2CCC=C[C@H]12 34469680 572084217 /nfs/dbraw/zinc/08/42/17/572084217.db2.gz XDOGXIKQRIJVHZ-UTLUCORTSA-N 0 0 164.248 2.568 10 0 AFAERN CCC[C@H](O)C(Cl)(Cl)Cl 34455228 572084228 /nfs/dbraw/zinc/08/42/28/572084228.db2.gz SVAKATAIERQRAG-BYPYZUCNSA-N 0 0 191.485 2.518 10 0 AFAERN Cc1ccc(-c2cnc(N)c(C)c2)cc1 82730028 572084305 /nfs/dbraw/zinc/08/43/05/572084305.db2.gz UNRKYJDZARFVDP-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCOC[C@@H](O)CCCC(C)(C)C 300931867 572084327 /nfs/dbraw/zinc/08/43/27/572084327.db2.gz VCYVGVVRDNINBN-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN CSCC[C@H](O)c1ccccc1C 82679642 572084330 /nfs/dbraw/zinc/08/43/30/572084330.db2.gz ZYXAIDPHJFMFNO-NSHDSACASA-N 0 0 196.315 2.782 10 0 AFAERN CCCCC[C@@H](O)c1cncc(F)c1 82679977 572084339 /nfs/dbraw/zinc/08/43/39/572084339.db2.gz MQMQSNZTDKSMPE-LLVKDONJSA-N 0 0 197.253 2.834 10 0 AFAERN CCC[C@H](O)[C@@H](C)c1ccccc1 82679687 572084334 /nfs/dbraw/zinc/08/43/34/572084334.db2.gz AEXSIHXBJLXGNW-JQWIXIFHSA-N 0 0 178.275 2.951 10 0 AFAERN CCCCC[C@@H](O)c1cnn(CC)c1 82679943 572084384 /nfs/dbraw/zinc/08/43/84/572084384.db2.gz CIJQDWHCSQDEDC-LLVKDONJSA-N 0 0 196.294 2.517 10 0 AFAERN C=C=C[C@@H](O)c1ccc(Cl)cc1 34455080 572084400 /nfs/dbraw/zinc/08/44/00/572084400.db2.gz VRKAQRZHXIGEAQ-SNVBAGLBSA-N 0 0 180.634 2.715 10 0 AFAERN O[C@H]1C=C[C@@H](Cc2ccccc2)CC1 34454602 572084683 /nfs/dbraw/zinc/08/46/83/572084683.db2.gz CSTJWPJIJRVQCH-OLZOCXBDSA-N 0 0 188.270 2.556 10 0 AFAERN CCC[C@@H](C)[C@@H](O)CC(C)C 82679832 572084443 /nfs/dbraw/zinc/08/44/43/572084443.db2.gz VIHAZZPWGKHJQE-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN CCC[C@H]1C(=O)[C@H]2CCC=C[C@H]21 34469674 572084564 /nfs/dbraw/zinc/08/45/64/572084564.db2.gz XDOGXIKQRIJVHZ-AEJSXWLSSA-N 0 0 164.248 2.568 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1ccc(C)nc1 82679916 572084620 /nfs/dbraw/zinc/08/46/20/572084620.db2.gz ANCLUNINMZNHBK-BXKDBHETSA-N 0 0 193.290 2.860 10 0 AFAERN CCC[C@@H](O)[C@@H](C)c1ccccc1 82679688 572084635 /nfs/dbraw/zinc/08/46/35/572084635.db2.gz AEXSIHXBJLXGNW-CMPLNLGQSA-N 0 0 178.275 2.951 10 0 AFAERN O[C@H]1C=C[C@H](Cc2ccccc2)CC1 34454601 572084657 /nfs/dbraw/zinc/08/46/57/572084657.db2.gz CSTJWPJIJRVQCH-STQMWFEESA-N 0 0 188.270 2.556 10 0 AFAERN CCNc1ccc(OC)c(OCC)c1 37091867 572084665 /nfs/dbraw/zinc/08/46/65/572084665.db2.gz LDIHVIVJSFFUIX-UHFFFAOYSA-N 0 0 195.262 2.526 10 0 AFAERN CSCC[C@@H](O)c1ccccc1C 82679640 572084717 /nfs/dbraw/zinc/08/47/17/572084717.db2.gz ZYXAIDPHJFMFNO-LLVKDONJSA-N 0 0 196.315 2.782 10 0 AFAERN CCc1c(C)cc(O)c(C)c1C 34475193 572084718 /nfs/dbraw/zinc/08/47/18/572084718.db2.gz VRAZJHVXQYQUGF-UHFFFAOYSA-N 0 0 164.248 2.880 10 0 AFAERN CCC[C@H](C)[C@@H](O)CC(C)C 82679833 572084841 /nfs/dbraw/zinc/08/48/41/572084841.db2.gz VIHAZZPWGKHJQE-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN Cc1c(O)cc(Cl)c(F)c1C 34479414 572084878 /nfs/dbraw/zinc/08/48/78/572084878.db2.gz GCHNQPQZJQICTQ-UHFFFAOYSA-N 0 0 174.602 2.802 10 0 AFAERN Cc1ccc(-c2ccc(N)nc2C)cc1 82730140 572085223 /nfs/dbraw/zinc/08/52/23/572085223.db2.gz BBIVPOCEQDESSD-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1cncc(F)c1 82679922 572084928 /nfs/dbraw/zinc/08/49/28/572084928.db2.gz TUBWBVCLEROETP-KCJUWKMLSA-N 0 0 197.253 2.690 10 0 AFAERN CCC[C@H](C)[C@H](O)c1ccc(C)nc1 82679915 572084935 /nfs/dbraw/zinc/08/49/35/572084935.db2.gz ANCLUNINMZNHBK-CABZTGNLSA-N 0 0 193.290 2.860 10 0 AFAERN Cc1cc(C)c(N)c(C(=O)C(C)C)c1 34480285 572085012 /nfs/dbraw/zinc/08/50/12/572085012.db2.gz PFSHJTOPOGXWOZ-UHFFFAOYSA-N 0 0 191.274 2.724 10 0 AFAERN CSC1(/C=C/[C@@H](C)O)CCCC1 34484593 572085029 /nfs/dbraw/zinc/08/50/29/572085029.db2.gz PZHIMANPHQZUOF-WHXYTISESA-N 0 0 186.320 2.599 10 0 AFAERN CCCCC[C@H](O)c1cnn(CC)c1 82679942 572085050 /nfs/dbraw/zinc/08/50/50/572085050.db2.gz CIJQDWHCSQDEDC-NSHDSACASA-N 0 0 196.294 2.517 10 0 AFAERN COc1ccc2snc(Cl)c2c1 34492164 572085183 /nfs/dbraw/zinc/08/51/83/572085183.db2.gz KOUSFIWAYYFDKE-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN O=C1CC=CC[C@H]2CCCC[C@H]12 34492079 572085201 /nfs/dbraw/zinc/08/52/01/572085201.db2.gz REJOICHTFDFINF-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=CCCC[C@@H]1C(=O)C(F)(F)F 34493960 572085212 /nfs/dbraw/zinc/08/52/12/572085212.db2.gz NUHINZKFHHJURI-ZETCQYMHSA-N 0 0 192.180 2.864 10 0 AFAERN Cc1cccc(-c2cnc(N)c(C)c2)c1 82730030 572085487 /nfs/dbraw/zinc/08/54/87/572085487.db2.gz VVKFYMCTBBXVNI-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC1C=CN(C(=O)OC(C)(C)C)C=C1 34480911 572085505 /nfs/dbraw/zinc/08/55/05/572085505.db2.gz LNSPXGNPLQWTSB-UHFFFAOYSA-N 0 0 195.262 2.901 10 0 AFAERN C=Cc1cc(C(F)(F)F)ccc1N 34484602 572085554 /nfs/dbraw/zinc/08/55/54/572085554.db2.gz LAPUIEFSFRSCHV-UHFFFAOYSA-N 0 0 187.164 2.931 10 0 AFAERN CCCCC[C@H](O)c1cncc(F)c1 82679976 572085569 /nfs/dbraw/zinc/08/55/69/572085569.db2.gz MQMQSNZTDKSMPE-NSHDSACASA-N 0 0 197.253 2.834 10 0 AFAERN Cc1ccc2c(C)[nH]c(=S)nc2c1 34484658 572085570 /nfs/dbraw/zinc/08/55/70/572085570.db2.gz ISMSUZUNFBPADF-UHFFFAOYSA-N 0 0 190.271 2.909 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1cccnc1 82679768 572085580 /nfs/dbraw/zinc/08/55/80/572085580.db2.gz KIKXYCWBUFEOKX-MWLCHTKSSA-N 0 0 179.263 2.551 10 0 AFAERN CCC[C@H](C)[C@H](O)c1cccnc1 82679767 572085600 /nfs/dbraw/zinc/08/56/00/572085600.db2.gz KIKXYCWBUFEOKX-ONGXEEELSA-N 0 0 179.263 2.551 10 0 AFAERN Cc1ccccc1-c1cnc(N)c(C)c1 82730029 572085653 /nfs/dbraw/zinc/08/56/53/572085653.db2.gz PPTJIIHOMTYKGA-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC(=O)COCC1CCCCCC1 300932386 572085700 /nfs/dbraw/zinc/08/57/00/572085700.db2.gz MSKYZSUDHBTIFN-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CCC[C@H](C)[C@H](O)c1cncc(F)c1 82679923 572086097 /nfs/dbraw/zinc/08/60/97/572086097.db2.gz TUBWBVCLEROETP-KWQFWETISA-N 0 0 197.253 2.690 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1cccnc1 82679769 572085915 /nfs/dbraw/zinc/08/59/15/572085915.db2.gz KIKXYCWBUFEOKX-GXSJLCMTSA-N 0 0 179.263 2.551 10 0 AFAERN CCC[C@H](C)[C@@H](O)C1CCCC1 82679773 572085994 /nfs/dbraw/zinc/08/59/94/572085994.db2.gz MHNVIPVMQDJLQN-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(-c2cnc(N)cc2C)cc1 82730390 572086201 /nfs/dbraw/zinc/08/62/01/572086201.db2.gz KJDIEXGBJSUSPJ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CNc1ccsc1CC(C)C 34479240 572086216 /nfs/dbraw/zinc/08/62/16/572086216.db2.gz PZULTSSXKXAQCC-UHFFFAOYSA-N 0 0 169.293 2.988 10 0 AFAERN CCC[C@@H](C)[C@H](O)CC(C)C 82679830 572086333 /nfs/dbraw/zinc/08/63/33/572086333.db2.gz VIHAZZPWGKHJQE-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CSc1ccc(Cl)c(NC#N)c1 34480771 572086338 /nfs/dbraw/zinc/08/63/38/572086338.db2.gz QYCDDHANJRMISS-UHFFFAOYSA-N 0 0 198.678 2.955 10 0 AFAERN CCC[C@@H](C)[C@H](O)C1CCCC1 82679770 572086343 /nfs/dbraw/zinc/08/63/43/572086343.db2.gz MHNVIPVMQDJLQN-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](C)[C@H](O)C1CCCC1 82679771 572086346 /nfs/dbraw/zinc/08/63/46/572086346.db2.gz MHNVIPVMQDJLQN-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1cncc(F)c1 82679924 572086515 /nfs/dbraw/zinc/08/65/15/572086515.db2.gz TUBWBVCLEROETP-LDYMZIIASA-N 0 0 197.253 2.690 10 0 AFAERN Cc1ccccc1-c1cnc(N)cc1C 82730391 572086816 /nfs/dbraw/zinc/08/68/16/572086816.db2.gz CVXAAINTXLTNHZ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1cccnc1 82679766 572086842 /nfs/dbraw/zinc/08/68/42/572086842.db2.gz KIKXYCWBUFEOKX-KOLCDFICSA-N 0 0 179.263 2.551 10 0 AFAERN Cc1ccccc1-c1ccc(N)nc1C 82730141 572086845 /nfs/dbraw/zinc/08/68/45/572086845.db2.gz SNVQKPFBSOOYRR-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1cncc(F)c1 82679925 572086851 /nfs/dbraw/zinc/08/68/51/572086851.db2.gz TUBWBVCLEROETP-GZMMTYOYSA-N 0 0 197.253 2.690 10 0 AFAERN C=Cn1cc(C=O)c2ccccc21 34484427 572086852 /nfs/dbraw/zinc/08/68/52/572086852.db2.gz VBFDMTYACDXAEZ-UHFFFAOYSA-N 0 0 171.199 2.554 10 0 AFAERN O[C@H](c1ccc(F)cc1)c1ccco1 16945729 572086913 /nfs/dbraw/zinc/08/69/13/572086913.db2.gz UFIYNDNCOPGYJV-LLVKDONJSA-N 0 0 192.189 2.500 10 0 AFAERN CCO[C@H]1C[C@@H](C)Nc2ccccc21 34484673 572086924 /nfs/dbraw/zinc/08/69/24/572086924.db2.gz STTSTBKEXQBPCI-SKDRFNHKSA-N 0 0 191.274 2.968 10 0 AFAERN Cc1cc2c(cc1F)CC[C@H](C)N2 34477899 572086926 /nfs/dbraw/zinc/08/69/26/572086926.db2.gz NIYMCJUKMCWHGU-QMMMGPOBSA-N 0 0 179.238 2.881 10 0 AFAERN c1cc2c(c[nH+]1)NC1(CCCCC1)N2 34496773 572086933 /nfs/dbraw/zinc/08/69/33/572086933.db2.gz CSNJNVNDOUVWTJ-UHFFFAOYSA-N 0 0 189.262 2.579 10 0 AFAERN COc1c(C)cccc1OC(C)C 34479653 572086940 /nfs/dbraw/zinc/08/69/40/572086940.db2.gz IPCNCSPRVQKCAY-UHFFFAOYSA-N 0 0 180.247 2.791 10 0 AFAERN CC(C)C(=O)[C@@H](C)Oc1ccccc1 79427708 572086977 /nfs/dbraw/zinc/08/69/77/572086977.db2.gz LRCHTDYARONCCY-SNVBAGLBSA-N 0 0 192.258 2.679 10 0 AFAERN CCN(c1ccc(C=O)cc1)C(C)C 37082467 572086984 /nfs/dbraw/zinc/08/69/84/572086984.db2.gz XYSQAIOUWRAMLD-UHFFFAOYSA-N 0 0 191.274 2.734 10 0 AFAERN O=Cc1c[nH]c2ccc(C3CC3)cc12 16947863 572086988 /nfs/dbraw/zinc/08/69/88/572086988.db2.gz FRLOTWQOEJQZKU-UHFFFAOYSA-N 0 0 185.226 2.858 10 0 AFAERN O[C@@H](c1ccc(F)cc1)c1ccco1 16945726 572087961 /nfs/dbraw/zinc/08/79/61/572087961.db2.gz UFIYNDNCOPGYJV-NSHDSACASA-N 0 0 192.189 2.500 10 0 AFAERN CCCCOCc1ccccc1N 37093161 572088010 /nfs/dbraw/zinc/08/80/10/572088010.db2.gz FHTOQEPPFDDILL-UHFFFAOYSA-N 0 0 179.263 2.586 10 0 AFAERN CCCC(=O)c1cccc(C)c1N 34512673 572088382 /nfs/dbraw/zinc/08/83/82/572088382.db2.gz HYWAJOAQUNKZCO-UHFFFAOYSA-N 0 0 177.247 2.560 10 0 AFAERN ON1CCCC[C@H]1c1ccccc1 34514963 572088495 /nfs/dbraw/zinc/08/84/95/572088495.db2.gz PQUCQDKGRWFIMP-NSHDSACASA-N 0 0 177.247 2.603 10 0 AFAERN Cc1ccc(-c2ccc[nH]2)o1 34514011 572088563 /nfs/dbraw/zinc/08/85/63/572088563.db2.gz MLYBTSDXOJEORJ-UHFFFAOYSA-N 0 0 147.177 2.583 10 0 AFAERN ON1CCCC[C@@H]1c1ccccc1 34514964 572088813 /nfs/dbraw/zinc/08/88/13/572088813.db2.gz PQUCQDKGRWFIMP-LLVKDONJSA-N 0 0 177.247 2.603 10 0 AFAERN CCNc1ccc(N=O)cc1 34512974 572089145 /nfs/dbraw/zinc/08/91/45/572089145.db2.gz CRJATHPWFPDCQZ-UHFFFAOYSA-N 0 0 150.181 2.516 10 0 AFAERN O=C(Nc1ccco1)c1ccccc1 34500534 572089245 /nfs/dbraw/zinc/08/92/45/572089245.db2.gz RSUHHOZYIKHEBJ-UHFFFAOYSA-N 0 0 187.198 2.532 10 0 AFAERN CCCCO/C=C/Br 34515223 572089333 /nfs/dbraw/zinc/08/93/33/572089333.db2.gz NAXWONAKFDZBHI-GQCTYLIASA-N 0 0 179.057 2.669 10 0 AFAERN Cc1cc(C)c2c(c1)SCCC2=O 34536516 572090443 /nfs/dbraw/zinc/09/04/43/572090443.db2.gz KILHIIOXAAEAOB-UHFFFAOYSA-N 0 0 192.283 2.982 10 0 AFAERN C[C@H]1CCCC(C)(C)C[C@@H]1O 34528987 572089792 /nfs/dbraw/zinc/08/97/92/572089792.db2.gz WSSPSWTYKLPHNJ-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@H](C)C[C@@H]1COCCC1=O 300934450 572089811 /nfs/dbraw/zinc/08/98/11/572089811.db2.gz OAQDEFZAPKTSIX-WDEREUQCSA-N 0 0 198.306 2.664 10 0 AFAERN C/C=C/[C@H](O)c1ccc(C)cc1 34540215 572089918 /nfs/dbraw/zinc/08/99/18/572089918.db2.gz AJYJVEBSQXHHIC-UFFNRZRYSA-N 0 0 162.232 2.605 10 0 AFAERN C[C@H]1CC[C@@H](C(C)(C)F)[C@@H](O)C1 34540517 572089932 /nfs/dbraw/zinc/08/99/32/572089932.db2.gz YDDLCAYFOJOZFN-YIZRAAEISA-N 0 0 174.259 2.532 10 0 AFAERN CCC(CC)NOCc1ccccc1 34540147 572089978 /nfs/dbraw/zinc/08/99/78/572089978.db2.gz KVQQACCDQYFLDI-UHFFFAOYSA-N 0 0 193.290 2.896 10 0 AFAERN CCCN(c1cccc(N)c1)C(C)C 37095627 572090012 /nfs/dbraw/zinc/09/00/12/572090012.db2.gz XACNSVLVBNRFQK-UHFFFAOYSA-N 0 0 192.306 2.894 10 0 AFAERN CC(C)C[C@@H](C)C[C@H]1COCCC1=O 300934446 572090036 /nfs/dbraw/zinc/09/00/36/572090036.db2.gz OAQDEFZAPKTSIX-MNOVXSKESA-N 0 0 198.306 2.664 10 0 AFAERN O[C@H]1CC=C(c2ccccc2)CC1 34534103 572090063 /nfs/dbraw/zinc/09/00/63/572090063.db2.gz QGGGVZPWZJHKDM-LBPRGKRZSA-N 0 0 174.243 2.615 10 0 AFAERN O[C@@H](C=C(F)F)c1cccs1 34540561 572090202 /nfs/dbraw/zinc/09/02/02/572090202.db2.gz BGMQNSQIUVIQLM-YFKPBYRVSA-N 0 0 176.187 2.562 10 0 AFAERN C[C@@H]1CCCC(C)(C)C[C@H]1O 34528988 572090212 /nfs/dbraw/zinc/09/02/12/572090212.db2.gz WSSPSWTYKLPHNJ-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@]1(C2=CCCC2)CCCC1=O 34527978 572090360 /nfs/dbraw/zinc/09/03/60/572090360.db2.gz LEQKNJGMQZQMSR-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CSC(=O)Nc1ccc(C)cc1 34519140 572090385 /nfs/dbraw/zinc/09/03/85/572090385.db2.gz AJEXMXBENVVQRF-UHFFFAOYSA-N 0 0 181.260 2.890 10 0 AFAERN C/C=C\[C@H](C)N(C)C(=O)OC(C)(C)C 34530030 572090391 /nfs/dbraw/zinc/09/03/91/572090391.db2.gz XAUPUULBNBOEDU-FUOZMLNRSA-N 0 0 199.294 2.818 10 0 AFAERN C/C(=C/Br)COC(C)C 16970515 572090396 /nfs/dbraw/zinc/09/03/96/572090396.db2.gz JFQBDIJIHIRNHE-DAXSKMNVSA-N 0 0 193.084 2.710 10 0 AFAERN CCCN(c1ccccc1N)C(C)C 37095642 572090464 /nfs/dbraw/zinc/09/04/64/572090464.db2.gz WZEREJNMORQAMB-UHFFFAOYSA-N 0 0 192.306 2.894 10 0 AFAERN Cc1[nH]c2c(C)c(N)ccc2c1C 34540099 572090518 /nfs/dbraw/zinc/09/05/18/572090518.db2.gz XNSWRDUVROVTII-UHFFFAOYSA-N 0 0 174.247 2.675 10 0 AFAERN C[C@@H]1CCCC(C)(C)C[C@@H]1O 34528986 572090530 /nfs/dbraw/zinc/09/05/30/572090530.db2.gz WSSPSWTYKLPHNJ-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc2[nH]c(C)c(C)c2c1O 34538901 572090691 /nfs/dbraw/zinc/09/06/91/572090691.db2.gz LNIFHUQKAAYHIA-UHFFFAOYSA-N 0 0 175.231 2.799 10 0 AFAERN O[C@@H]1CC=C(c2ccccc2)CC1 34534104 572090706 /nfs/dbraw/zinc/09/07/06/572090706.db2.gz QGGGVZPWZJHKDM-GFCCVEGCSA-N 0 0 174.243 2.615 10 0 AFAERN Cc1oc2c(C)ccc(N)c2c1C 34538900 572090751 /nfs/dbraw/zinc/09/07/51/572090751.db2.gz NLKXWSDHZRYKER-UHFFFAOYSA-N 0 0 175.231 2.940 10 0 AFAERN OC1CC(=Cc2ccc(Cl)cc2)C1 34534638 572090756 /nfs/dbraw/zinc/09/07/56/572090756.db2.gz RDEHDVFOMCUWOJ-UHFFFAOYSA-N 0 0 194.661 2.878 10 0 AFAERN C[C@@]1(C2=CCCC2)CCCC1=O 34527979 572090775 /nfs/dbraw/zinc/09/07/75/572090775.db2.gz LEQKNJGMQZQMSR-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN CC(C)C[C@H](C)C[C@H]1COCCC1=O 300934448 572090782 /nfs/dbraw/zinc/09/07/82/572090782.db2.gz OAQDEFZAPKTSIX-QWRGUYRKSA-N 0 0 198.306 2.664 10 0 AFAERN CC(C)C[C@H](C)Cn1cccc1C=O 300934527 572090824 /nfs/dbraw/zinc/09/08/24/572090824.db2.gz OBXMJYFODMZPIM-NSHDSACASA-N 0 0 193.290 2.983 10 0 AFAERN C/C=C/CCC[C@@H](O)CC 34529469 572090870 /nfs/dbraw/zinc/09/08/70/572090870.db2.gz NXTZXNYLFFQTQH-SGRBOOSSSA-N 0 0 142.242 2.504 10 0 AFAERN C1=Nc2cccc3cccc1c23 118836529 572090882 /nfs/dbraw/zinc/09/08/82/572090882.db2.gz UTCMYCAFVUUNBK-UHFFFAOYSA-N 0 0 153.184 2.904 10 0 AFAERN CCC1=C[C@H]2CC(=O)C[C@@H](C1)C2 34540278 572090913 /nfs/dbraw/zinc/09/09/13/572090913.db2.gz JPKQZQSFQDHAIC-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@H]1CCCC[C@@H]1C(=O)C(C)(C)O 234042358 572090916 /nfs/dbraw/zinc/09/09/16/572090916.db2.gz QIJVMPBMUIGHCC-UWVGGRQHSA-N 0 0 198.306 2.543 10 0 AFAERN COC(=O)c1cccc2cccc-2c1 34539026 572090935 /nfs/dbraw/zinc/09/09/35/572090935.db2.gz LJDMYRNJYQKQFD-UHFFFAOYSA-N 0 0 186.210 2.578 10 0 AFAERN CCC(CC)N(C)C(=O)C(C)(C)C 82738123 572090997 /nfs/dbraw/zinc/09/09/97/572090997.db2.gz GNYJZVTUZMLCMA-UHFFFAOYSA-N 0 0 185.311 2.680 10 0 AFAERN C/C=C/[C@@H](O)c1ccc(C)cc1 34540217 572091162 /nfs/dbraw/zinc/09/11/62/572091162.db2.gz AJYJVEBSQXHHIC-PGLGOXFNSA-N 0 0 162.232 2.605 10 0 AFAERN CC(C)C[C@@H](C)Cn1cccc1C=O 300934526 572091180 /nfs/dbraw/zinc/09/11/80/572091180.db2.gz OBXMJYFODMZPIM-LLVKDONJSA-N 0 0 193.290 2.983 10 0 AFAERN C[C@H]1CCCC(C)(C)C[C@H]1O 34528989 572091185 /nfs/dbraw/zinc/09/11/85/572091185.db2.gz WSSPSWTYKLPHNJ-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc2sc(F)cc2n1 34525891 572091232 /nfs/dbraw/zinc/09/12/32/572091232.db2.gz ONSOQFZCAPRAAI-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN O[C@H](C=C(F)F)c1cccs1 34540559 572091264 /nfs/dbraw/zinc/09/12/64/572091264.db2.gz BGMQNSQIUVIQLM-RXMQYKEDSA-N 0 0 176.187 2.562 10 0 AFAERN C/C=C/CCC[C@H](O)CC 34529470 572091339 /nfs/dbraw/zinc/09/13/39/572091339.db2.gz NXTZXNYLFFQTQH-HYYFJVDXSA-N 0 0 142.242 2.504 10 0 AFAERN CCCN(CC)c1ccccc1C=O 37095241 572091405 /nfs/dbraw/zinc/09/14/05/572091405.db2.gz LZSYSMCOWGMSBK-UHFFFAOYSA-N 0 0 191.274 2.735 10 0 AFAERN CC1=C[C@@H]2[C@H](CC(=O)C1)C2(C)C 34540258 572091470 /nfs/dbraw/zinc/09/14/70/572091470.db2.gz JJAWAYGOBVURGY-ZJUUUORDSA-N 0 0 164.248 2.568 10 0 AFAERN CCC[C@@H]1CC(C)(C)CC1=O 34540057 572091499 /nfs/dbraw/zinc/09/14/99/572091499.db2.gz ZRQYJKIUBFDTOB-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CCCc1c[nH]c2ccc(O)cc12 34540120 572091555 /nfs/dbraw/zinc/09/15/55/572091555.db2.gz DLFDSJMYPRRFJP-UHFFFAOYSA-N 0 0 175.231 2.826 10 0 AFAERN CCCN(c1ccccc1N)C1CC1 37096835 572091561 /nfs/dbraw/zinc/09/15/61/572091561.db2.gz CHULJJMCZFECIR-UHFFFAOYSA-N 0 0 190.290 2.648 10 0 AFAERN c1ccc2nc3c(cc2c1)CCCN3 34539391 572091581 /nfs/dbraw/zinc/09/15/81/572091581.db2.gz YWWYHQIWJBIFJQ-UHFFFAOYSA-N 0 0 184.242 2.593 10 0 AFAERN CCC[C@H]1CC(C)(C)CC1=O 34540059 572091594 /nfs/dbraw/zinc/09/15/94/572091594.db2.gz ZRQYJKIUBFDTOB-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC[C@H](C)[C@@H](O)C1=CCCCO1 300933097 572092281 /nfs/dbraw/zinc/09/22/81/572092281.db2.gz MUIGAGKXYDHRBZ-CMPLNLGQSA-N 0 0 198.306 2.868 10 0 AFAERN CCCCN(C(=O)C(C)(C)C)C1CC1 82738125 572091968 /nfs/dbraw/zinc/09/19/68/572091968.db2.gz GZGQNZQWBUSJKS-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN Cc1cccc([C@@H]2CCCCO2)c1N 34561125 572092023 /nfs/dbraw/zinc/09/20/23/572092023.db2.gz YEAJKCKIIFPYEE-NSHDSACASA-N 0 0 191.274 2.819 10 0 AFAERN CC(C)CN(C(=O)C(C)(C)C)C(C)C 82738124 572092077 /nfs/dbraw/zinc/09/20/77/572092077.db2.gz ZOXZUOXBCLNFEB-UHFFFAOYSA-N 0 0 199.338 2.926 10 0 AFAERN CCOc1c(C)cc(N)c(C)c1C 34559335 572092169 /nfs/dbraw/zinc/09/21/69/572092169.db2.gz HPPRISCEXAFGRI-UHFFFAOYSA-N 0 0 179.263 2.593 10 0 AFAERN CCNC(=O)S[C@@H]1C=CCCC1 34540901 572092173 /nfs/dbraw/zinc/09/21/73/572092173.db2.gz SJJZWOZCNAIYBF-MRVPVSSYSA-N 0 0 185.292 2.558 10 0 AFAERN C[C@H]1CCc2sccc2C1=O 34551857 572092219 /nfs/dbraw/zinc/09/22/19/572092219.db2.gz VMIZWBVAJZOOAR-LURJTMIESA-N 0 0 166.245 2.513 10 0 AFAERN CCC(C)(C)CC1=C[C@H](O)CC1 713212000 572092239 /nfs/dbraw/zinc/09/22/39/572092239.db2.gz SYQXGZOPHKREPC-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN CCCC[C@@H](C)[C@@H](NN)C1CCCC1 300934760 572092374 /nfs/dbraw/zinc/09/23/74/572092374.db2.gz NARPFCCYVSVFSQ-ZYHUDNBSSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1cc(N)c(C)c2c(C)ccnc12 34542349 572092383 /nfs/dbraw/zinc/09/23/83/572092383.db2.gz UZRWHSTXRRGYGZ-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN CCCN(C)c1ccccc1C(C)=O 37098536 572092391 /nfs/dbraw/zinc/09/23/91/572092391.db2.gz KMMYYRBNPAWNPM-UHFFFAOYSA-N 0 0 191.274 2.735 10 0 AFAERN CC(C)CN(C)c1ccc(C=O)cc1 37108790 572092580 /nfs/dbraw/zinc/09/25/80/572092580.db2.gz JIWXRUOKLKXBSD-UHFFFAOYSA-N 0 0 191.274 2.591 10 0 AFAERN Cc1cc2c(c(Cl)c1O)CCCO2 34546092 572092664 /nfs/dbraw/zinc/09/26/64/572092664.db2.gz YHEHFGATBYYHMT-UHFFFAOYSA-N 0 0 198.649 2.679 10 0 AFAERN Oc1c(Cl)ccc2c1CCC2 34549491 572092780 /nfs/dbraw/zinc/09/27/80/572092780.db2.gz DZIXCCOAPHFUNJ-UHFFFAOYSA-N 0 0 168.623 2.534 10 0 AFAERN OC/C=C/C=C1CCCCCC1 34545735 572092855 /nfs/dbraw/zinc/09/28/55/572092855.db2.gz PTXSFOOBHTZRDN-AATRIKPKSA-N 0 0 166.264 2.816 10 0 AFAERN CCC[C@@H](CC)CC(C)=O 34557487 572092952 /nfs/dbraw/zinc/09/29/52/572092952.db2.gz IFLGPEXGQSRERI-SECBINFHSA-N 0 0 142.242 2.792 10 0 AFAERN CCc1cc(N)cc2c1OCC2(C)C 34559514 572092953 /nfs/dbraw/zinc/09/29/53/572092953.db2.gz AACIMPHPMVSLPD-UHFFFAOYSA-N 0 0 191.274 2.501 10 0 AFAERN Cc1cccc([C@H]2CCCCO2)c1N 34561127 572092959 /nfs/dbraw/zinc/09/29/59/572092959.db2.gz YEAJKCKIIFPYEE-LLVKDONJSA-N 0 0 191.274 2.819 10 0 AFAERN CC(C)NC(=O)S[C@H]1C=CCCC1 34541448 572092981 /nfs/dbraw/zinc/09/29/81/572092981.db2.gz RPNIZCVEUGCSEJ-VIFPVBQESA-N 0 0 199.319 2.946 10 0 AFAERN OC[C@H]1CCC[C@@H]1c1ccccc1 34540603 572093042 /nfs/dbraw/zinc/09/30/42/572093042.db2.gz CIGNCMVFJXCCMW-VXGBXAGGSA-N 0 0 176.259 2.563 10 0 AFAERN C[C@@H]1CCc2sccc2C1=O 34551856 572093050 /nfs/dbraw/zinc/09/30/50/572093050.db2.gz VMIZWBVAJZOOAR-ZCFIWIBFSA-N 0 0 166.245 2.513 10 0 AFAERN CC(C)CN(C)c1ccccc1C=O 37108788 572093134 /nfs/dbraw/zinc/09/31/34/572093134.db2.gz GGNUIBIRTSTULE-UHFFFAOYSA-N 0 0 191.274 2.591 10 0 AFAERN C/C(CO)=C(/C)c1ccc(C)cc1 34540588 572093194 /nfs/dbraw/zinc/09/31/94/572093194.db2.gz FUNSDMHTKMPIAH-ZHACJKMWSA-N 0 0 176.259 2.781 10 0 AFAERN CCCC[C@H](C)[C@H](O)C1=CCCCO1 300933099 572093232 /nfs/dbraw/zinc/09/32/32/572093232.db2.gz MUIGAGKXYDHRBZ-JQWIXIFHSA-N 0 0 198.306 2.868 10 0 AFAERN O=C1Nc2ccccc2[C@@H]2CCC[C@@H]12 34552895 572093319 /nfs/dbraw/zinc/09/33/19/572093319.db2.gz PJUXSUUXPAZJRA-WCBMZHEXSA-N 0 0 187.242 2.522 10 0 AFAERN O=C1Nc2ccccc2[C@H]2CCC[C@@H]12 34552896 572093365 /nfs/dbraw/zinc/09/33/65/572093365.db2.gz PJUXSUUXPAZJRA-PSASIEDQSA-N 0 0 187.242 2.522 10 0 AFAERN CC(C)Oc1ccsc1 34561188 572093424 /nfs/dbraw/zinc/09/34/24/572093424.db2.gz VPTGBLKZYFOQJV-UHFFFAOYSA-N 0 0 142.223 2.535 10 0 AFAERN CC(C)NC(=O)S[C@@H]1C=CCCC1 34541446 572093445 /nfs/dbraw/zinc/09/34/45/572093445.db2.gz RPNIZCVEUGCSEJ-SECBINFHSA-N 0 0 199.319 2.946 10 0 AFAERN CC(C)[C@H](O)C=C1CCCCC1 34558324 572093525 /nfs/dbraw/zinc/09/35/25/572093525.db2.gz IQFZXTRWSPLQMH-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN CCCC[C@@H](C)[C@H](O)C1=CCCCO1 300933101 572093537 /nfs/dbraw/zinc/09/35/37/572093537.db2.gz MUIGAGKXYDHRBZ-PWSUYJOCSA-N 0 0 198.306 2.868 10 0 AFAERN CCC[C@H](CC)CC(C)=O 34557488 572093686 /nfs/dbraw/zinc/09/36/86/572093686.db2.gz IFLGPEXGQSRERI-VIFPVBQESA-N 0 0 142.242 2.792 10 0 AFAERN CCCC[C@@H](C)[C@H](NN)C1CCCC1 300934758 572093706 /nfs/dbraw/zinc/09/37/06/572093706.db2.gz NARPFCCYVSVFSQ-PWSUYJOCSA-N 0 0 198.354 2.835 10 0 AFAERN CCCC[C@H](C)[C@H](NN)C1CCCC1 300934756 572093738 /nfs/dbraw/zinc/09/37/38/572093738.db2.gz NARPFCCYVSVFSQ-JQWIXIFHSA-N 0 0 198.354 2.835 10 0 AFAERN O=C1Nc2ccccc2[C@@H]2CCC[C@H]12 34552893 572093840 /nfs/dbraw/zinc/09/38/40/572093840.db2.gz PJUXSUUXPAZJRA-WPRPVWTQSA-N 0 0 187.242 2.522 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)C1=CCCCO1 300933102 572093879 /nfs/dbraw/zinc/09/38/79/572093879.db2.gz MUIGAGKXYDHRBZ-ZYHUDNBSSA-N 0 0 198.306 2.868 10 0 AFAERN O=Cc1cc(F)c2sccc2c1 34551405 572094145 /nfs/dbraw/zinc/09/41/45/572094145.db2.gz LJWASYCDECNDAX-UHFFFAOYSA-N 0 0 180.203 2.853 10 0 AFAERN CCCC[C@H](C)[C@@H](NN)C1CCCC1 300934754 572094211 /nfs/dbraw/zinc/09/42/11/572094211.db2.gz NARPFCCYVSVFSQ-CMPLNLGQSA-N 0 0 198.354 2.835 10 0 AFAERN O=Cc1ccc2sccc2c1F 34551403 572094216 /nfs/dbraw/zinc/09/42/16/572094216.db2.gz JENUHQDFCAHBSS-UHFFFAOYSA-N 0 0 180.203 2.853 10 0 AFAERN O=C1Nc2ccccc2[C@H]2CCC[C@H]12 34552894 572094225 /nfs/dbraw/zinc/09/42/25/572094225.db2.gz PJUXSUUXPAZJRA-SCZZXKLOSA-N 0 0 187.242 2.522 10 0 AFAERN C=CC1=C[C@H]2CCC(=O)C[C@H]2CC1 34567635 572094924 /nfs/dbraw/zinc/09/49/24/572094924.db2.gz SYTVHJAURQCPCY-GHMZBOCLSA-N 0 0 176.259 2.878 10 0 AFAERN CCCC/C=C\C(C)(C)O 17059287 572094795 /nfs/dbraw/zinc/09/47/95/572094795.db2.gz ACFQKNIZLQUKQA-FPLPWBNLSA-N 0 0 142.242 2.504 10 0 AFAERN Cc1cc(C)c2c(c1N)OC(C)(C)C2 34568259 572095172 /nfs/dbraw/zinc/09/51/72/572095172.db2.gz BPUYIBZSFQGKIR-UHFFFAOYSA-N 0 0 191.274 2.599 10 0 AFAERN Cc1cccc(Nc2ccccn2)n1 34581404 572095220 /nfs/dbraw/zinc/09/52/20/572095220.db2.gz ZGIHPZDQDJRCHC-UHFFFAOYSA-N 0 0 185.230 2.529 10 0 AFAERN CCCCCOc1ccc(F)cc1N 37113877 572095784 /nfs/dbraw/zinc/09/57/84/572095784.db2.gz QQMOFFZUGGLVEY-UHFFFAOYSA-N 0 0 197.253 2.977 10 0 AFAERN CCNC(=O)Sc1ccc(C)cc1 34565992 572095678 /nfs/dbraw/zinc/09/56/78/572095678.db2.gz TWRDNVVTAINQHG-UHFFFAOYSA-N 0 0 195.287 2.817 10 0 AFAERN CC[C@@H](C)N(C)c1ccc(C=O)cc1 37110482 572095944 /nfs/dbraw/zinc/09/59/44/572095944.db2.gz ABLYKZALSUVYAS-SNVBAGLBSA-N 0 0 191.274 2.734 10 0 AFAERN C[C@@H]1CCC2=C[C@@]3(C)CC[C@]21C[C@@H]3O 34568305 572096032 /nfs/dbraw/zinc/09/60/32/572096032.db2.gz SRIPIUZJIIPDSY-GWNIPJSYSA-N 0 0 192.302 2.894 10 0 AFAERN CCCc1c(C)c(OC)cc(C)c1O 34568382 572096051 /nfs/dbraw/zinc/09/60/51/572096051.db2.gz DITNXXWMPICTLK-UHFFFAOYSA-N 0 0 194.274 2.970 10 0 AFAERN Nc1cccc([C@H]2C=CCC2)c1 34574001 572096054 /nfs/dbraw/zinc/09/60/54/572096054.db2.gz VMFZKWPVTDKSMS-VIFPVBQESA-N 0 0 159.232 2.702 10 0 AFAERN O=Cc1ccc2scc(F)c2c1 34568342 572096085 /nfs/dbraw/zinc/09/60/85/572096085.db2.gz FMLYGDLFLXHAMI-UHFFFAOYSA-N 0 0 180.203 2.853 10 0 AFAERN Cc1cccnc1Nc1ccccn1 34581403 572096091 /nfs/dbraw/zinc/09/60/91/572096091.db2.gz LTJLQUHYAMONJM-UHFFFAOYSA-N 0 0 185.230 2.529 10 0 AFAERN Nc1cccc([C@@H]2C=CCC2)c1 34574002 572096147 /nfs/dbraw/zinc/09/61/47/572096147.db2.gz VMFZKWPVTDKSMS-SECBINFHSA-N 0 0 159.232 2.702 10 0 AFAERN COc1ccccc1-c1cncs1 34578988 572096174 /nfs/dbraw/zinc/09/61/74/572096174.db2.gz OSEBJRMTGZSFLA-UHFFFAOYSA-N 0 0 191.255 2.819 10 0 AFAERN O=Nc1ccccc1Cl 34581481 572096341 /nfs/dbraw/zinc/09/63/41/572096341.db2.gz AYGXDXVGROLVJK-UHFFFAOYSA-N 0 0 141.557 2.738 10 0 AFAERN ONC1CCC(c2ccccc2)CC1 34581021 572096466 /nfs/dbraw/zinc/09/64/66/572096466.db2.gz DKEWVPYZJXOAAJ-UHFFFAOYSA-N 0 0 191.274 2.692 10 0 AFAERN CCOC(=O)SCc1ccco1 34579674 572096489 /nfs/dbraw/zinc/09/64/89/572096489.db2.gz RPDATXKSJBDCAP-UHFFFAOYSA-N 0 0 186.232 2.669 10 0 AFAERN C=CC1=CCC[C@]2(C)C(=O)CC[C@@H]12 34567620 572096554 /nfs/dbraw/zinc/09/65/54/572096554.db2.gz AXVGRCLQFCQNMT-JQWIXIFHSA-N 0 0 176.259 2.878 10 0 AFAERN CC[C@@H](C)N(C)c1ccccc1C=O 37110480 572096562 /nfs/dbraw/zinc/09/65/62/572096562.db2.gz QVXFGDHKBABCEM-SNVBAGLBSA-N 0 0 191.274 2.734 10 0 AFAERN CC[C@H](C)N(C)c1ccc(C=O)cc1 37110483 572096840 /nfs/dbraw/zinc/09/68/40/572096840.db2.gz ABLYKZALSUVYAS-JTQLQIEISA-N 0 0 191.274 2.734 10 0 AFAERN O[C@@H](/C(F)=C/F)c1ccccc1 34589092 572097419 /nfs/dbraw/zinc/09/74/19/572097419.db2.gz KDEGPUFJFPQBHR-JGAIRUGNSA-N 0 0 170.158 2.500 10 0 AFAERN CS[C@H]1O[C@H](C)c2ccc(O)cc21 34585806 572097086 /nfs/dbraw/zinc/09/70/86/572097086.db2.gz YCZFESHKLOSTPH-LHLIQPBNSA-N 0 0 196.271 2.845 10 0 AFAERN CCCCCOCc1ccccc1N 37113897 572097158 /nfs/dbraw/zinc/09/71/58/572097158.db2.gz FVLQFMHZOATVRU-UHFFFAOYSA-N 0 0 193.290 2.976 10 0 AFAERN C=C/C(=C\Cl)P(=O)(OC)OC 34588417 572097189 /nfs/dbraw/zinc/09/71/89/572097189.db2.gz JLMZFJGMIBABJQ-AATRIKPKSA-N 0 0 196.570 2.739 10 0 AFAERN CC(C)c1n[nH]c(CCC(C)(C)C)n1 300933777 572097216 /nfs/dbraw/zinc/09/72/16/572097216.db2.gz VGFUHGLBFGDXIX-UHFFFAOYSA-N 0 0 195.310 2.907 10 0 AFAERN CC1=C2CCCC(=O)[C@H](CC1)C2 34596467 572097241 /nfs/dbraw/zinc/09/72/41/572097241.db2.gz BBAJYNRQLHFTNN-SNVBAGLBSA-N 0 0 164.248 2.856 10 0 AFAERN C[C@@H]1C=CC[C@@H]2CCC(=O)[C@@]21C 34592691 572097390 /nfs/dbraw/zinc/09/73/90/572097390.db2.gz QGNOYIJVEAKDRY-FXPVBKGRSA-N 0 0 164.248 2.568 10 0 AFAERN C[C@@H]1C=CC[C@@H]2CCCC(=O)[C@@H]21 34592692 572097392 /nfs/dbraw/zinc/09/73/92/572097392.db2.gz BTCZYJPSPRMTAM-FXPVBKGRSA-N 0 0 164.248 2.568 10 0 AFAERN CCOc1cc(N)c(Cl)cc1C 34589622 572097507 /nfs/dbraw/zinc/09/75/07/572097507.db2.gz GQYNMKMWAULXGL-UHFFFAOYSA-N 0 0 185.654 2.629 10 0 AFAERN O=Cc1ccc2c(c1)CCCCC2 34588116 572097533 /nfs/dbraw/zinc/09/75/33/572097533.db2.gz IFKAEIULFCTFOW-UHFFFAOYSA-N 0 0 174.243 2.768 10 0 AFAERN Cc1c(NC2CC2)ccc(F)c1F 34589507 572097608 /nfs/dbraw/zinc/09/76/08/572097608.db2.gz MWMYACDHKUILKK-UHFFFAOYSA-N 0 0 183.201 2.848 10 0 AFAERN CCCc1cc(Cl)ccc1O 34595070 572097653 /nfs/dbraw/zinc/09/76/53/572097653.db2.gz GLXDMSOEJKXENG-UHFFFAOYSA-N 0 0 170.639 2.998 10 0 AFAERN O[C@H](/C(F)=C/F)c1ccccc1 34589090 572097709 /nfs/dbraw/zinc/09/77/09/572097709.db2.gz KDEGPUFJFPQBHR-XZLDQRQTSA-N 0 0 170.158 2.500 10 0 AFAERN CS[C@H]1O[C@@H](C)c2ccc(O)cc21 34585807 572097755 /nfs/dbraw/zinc/09/77/55/572097755.db2.gz YCZFESHKLOSTPH-QUBYGPBYSA-N 0 0 196.271 2.845 10 0 AFAERN C[C@H]1CC(=O)[C@H]2CCCC[C@@H]2C1 34592705 572098009 /nfs/dbraw/zinc/09/80/09/572098009.db2.gz IYEXDKYMJMJFCK-BBBLOLIVSA-N 0 0 166.264 2.792 10 0 AFAERN CS[C@@H]1O[C@@H](C)c2ccc(O)cc21 34585805 572098119 /nfs/dbraw/zinc/09/81/19/572098119.db2.gz YCZFESHKLOSTPH-WKEGUHRASA-N 0 0 196.271 2.845 10 0 AFAERN CC1=CC[C@@]2(C)C(=O)CC[C@H]2C1 34592586 572098405 /nfs/dbraw/zinc/09/84/05/572098405.db2.gz DXBIENAOXIVQHV-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=CC[C@]2(C)C(=O)CC[C@H]2C1 34592587 572098283 /nfs/dbraw/zinc/09/82/83/572098283.db2.gz DXBIENAOXIVQHV-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1CCC[C@@H]2CCC(=O)[C@]12C 34592703 572098286 /nfs/dbraw/zinc/09/82/86/572098286.db2.gz GKNHFLXONDYJLO-FXPVBKGRSA-N 0 0 166.264 2.792 10 0 AFAERN CS[C@@H]1O[C@H](C)c2ccc(O)cc21 34585804 572098299 /nfs/dbraw/zinc/09/82/99/572098299.db2.gz YCZFESHKLOSTPH-LDWIPMOCSA-N 0 0 196.271 2.845 10 0 AFAERN CC1(C(F)F)Nc2ccccc2N1 34596799 572098314 /nfs/dbraw/zinc/09/83/14/572098314.db2.gz XUMHSRFDTAGUBO-UHFFFAOYSA-N 0 0 184.189 2.505 10 0 AFAERN C[C@@]12CCC[C@@H]1C(=O)C2(Cl)Cl 34589858 572098317 /nfs/dbraw/zinc/09/83/17/572098317.db2.gz WUMRRUJDPOMLRZ-IYSWYEEDSA-N 0 0 193.073 2.549 10 0 AFAERN CC1=CC[C@@]2(C)C(=O)CC[C@@H]2C1 34592584 572098339 /nfs/dbraw/zinc/09/83/39/572098339.db2.gz DXBIENAOXIVQHV-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@H]1CC(=O)[C@@H]2CC=CC[C@@H]2C1 34592699 572098341 /nfs/dbraw/zinc/09/83/41/572098341.db2.gz OOPLQVRBYMJKDA-OPRDCNLKSA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)CC=CCC(C)(C)C1=O 34589002 572098559 /nfs/dbraw/zinc/09/85/59/572098559.db2.gz GRVFDWMKOHJXIW-UHFFFAOYSA-N 0 0 166.264 2.958 10 0 AFAERN CC1=C2CCCC(=O)[C@@H](CC1)C2 34596468 572098643 /nfs/dbraw/zinc/09/86/43/572098643.db2.gz BBAJYNRQLHFTNN-JTQLQIEISA-N 0 0 164.248 2.856 10 0 AFAERN CC[C@H](CO)Nc1ccccc1Cl 34585875 572098670 /nfs/dbraw/zinc/09/86/70/572098670.db2.gz YMRTZVBJHVCALN-MRVPVSSYSA-N 0 0 199.681 2.523 10 0 AFAERN c1ccc(-c2ccc3c(c2)CCN3)nc1 34585801 572098837 /nfs/dbraw/zinc/09/88/37/572098837.db2.gz IBMYDXLUAVHJBK-UHFFFAOYSA-N 0 0 196.253 2.717 10 0 AFAERN CC[C@@H](CO)Nc1ccccc1Cl 34585874 572098974 /nfs/dbraw/zinc/09/89/74/572098974.db2.gz YMRTZVBJHVCALN-QMMMGPOBSA-N 0 0 199.681 2.523 10 0 AFAERN CCOc1cscc1OCC 34596604 572098991 /nfs/dbraw/zinc/09/89/91/572098991.db2.gz MFRXQRCKOQUENC-UHFFFAOYSA-N 0 0 172.249 2.546 10 0 AFAERN CC1=CC[C@]2(C)C(=O)CC[C@@H]2C1 34592585 572098997 /nfs/dbraw/zinc/09/89/97/572098997.db2.gz DXBIENAOXIVQHV-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN COc1c(C)cccc1[C@@H](O)C(C)C 34613994 572099391 /nfs/dbraw/zinc/09/93/91/572099391.db2.gz DBMQYRXBQRNSEL-NSHDSACASA-N 0 0 194.274 2.693 10 0 AFAERN C/C=C/C=C/[C@@H](O)[C@H](C)CC 34610140 572099514 /nfs/dbraw/zinc/09/95/14/572099514.db2.gz TUWPWZZXPAPDIJ-MOGMPWSKSA-N 0 0 154.253 2.526 10 0 AFAERN C[C@]12C=CCC=C1CCCC2=O 34617878 572099592 /nfs/dbraw/zinc/09/95/92/572099592.db2.gz ILSOVCYEPGDMSF-NSHDSACASA-N 0 0 162.232 2.632 10 0 AFAERN CSC[C@@H](O)C[C@H](C)CC(C)C 300936482 572099609 /nfs/dbraw/zinc/09/96/09/572099609.db2.gz OGZZQHXFGJJPLT-ZJUUUORDSA-N 0 0 190.352 2.783 10 0 AFAERN COc1c(C)cccc1[C@H](O)C(C)C 34613991 572099763 /nfs/dbraw/zinc/09/97/63/572099763.db2.gz DBMQYRXBQRNSEL-LLVKDONJSA-N 0 0 194.274 2.693 10 0 AFAERN C[C@H]1CC[C@H](CO)c2ccccc21 34599336 572099824 /nfs/dbraw/zinc/09/98/24/572099824.db2.gz KLIHOGZZQDZYMB-VHSXEESVSA-N 0 0 176.259 2.660 10 0 AFAERN CSC[C@@H](O)C[C@@H](C)CC(C)C 300936476 572099925 /nfs/dbraw/zinc/09/99/25/572099925.db2.gz OGZZQHXFGJJPLT-UWVGGRQHSA-N 0 0 190.352 2.783 10 0 AFAERN CC[C@@H]1C(=O)CCc2ccccc21 34616594 572099959 /nfs/dbraw/zinc/09/99/59/572099959.db2.gz RHHATTYTIYFAKF-JTQLQIEISA-N 0 0 174.243 2.696 10 0 AFAERN Cc1ccc(OCCC2CC2)cc1N 300936377 572099985 /nfs/dbraw/zinc/09/99/85/572099985.db2.gz WYRHXBVFQZBZBB-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CSC[C@H](O)C[C@@H](C)CC(C)C 300936479 572100091 /nfs/dbraw/zinc/10/00/91/572100091.db2.gz OGZZQHXFGJJPLT-VHSXEESVSA-N 0 0 190.352 2.783 10 0 AFAERN C[C@@H]1CC(=O)c2c(F)cccc21 34604239 572100098 /nfs/dbraw/zinc/10/00/98/572100098.db2.gz QTVKGOCZBZBHGD-ZCFIWIBFSA-N 0 0 164.179 2.516 10 0 AFAERN OC[C@H](c1ccc(Cl)cc1)C1CC1 34611043 572100111 /nfs/dbraw/zinc/10/01/11/572100111.db2.gz MOMXRNROEBIAED-NSHDSACASA-N 0 0 196.677 2.826 10 0 AFAERN CCCCCc1cc[nH]c1 34602103 572100114 /nfs/dbraw/zinc/10/01/14/572100114.db2.gz VLUDZDXZIJCOAL-UHFFFAOYSA-N 0 0 137.226 2.747 10 0 AFAERN c1ccc2c(c1)sc1nc[nH]c12 34614695 572100143 /nfs/dbraw/zinc/10/01/43/572100143.db2.gz ZRYFMOXBGGZOLV-UHFFFAOYSA-N 0 0 174.228 2.778 10 0 AFAERN C[C@@]12C=CCC=C1CCCC2=O 34617876 572100433 /nfs/dbraw/zinc/10/04/33/572100433.db2.gz ILSOVCYEPGDMSF-LLVKDONJSA-N 0 0 162.232 2.632 10 0 AFAERN OC[C@@H](c1ccc(Cl)cc1)C1CC1 34611044 572100382 /nfs/dbraw/zinc/10/03/82/572100382.db2.gz MOMXRNROEBIAED-LLVKDONJSA-N 0 0 196.677 2.826 10 0 AFAERN Cc1cccc2c1C(=O)CC2(C)C 34616628 572101235 /nfs/dbraw/zinc/10/12/35/572101235.db2.gz FYCRPBXTLKDQRJ-UHFFFAOYSA-N 0 0 174.243 2.859 10 0 AFAERN C[C@H]1CC(=O)c2c(F)cccc21 34604241 572101245 /nfs/dbraw/zinc/10/12/45/572101245.db2.gz QTVKGOCZBZBHGD-LURJTMIESA-N 0 0 164.179 2.516 10 0 AFAERN C/C=C/C=C/[C@H](O)[C@H](C)CC 34610142 572100824 /nfs/dbraw/zinc/10/08/24/572100824.db2.gz TUWPWZZXPAPDIJ-JQAUVACESA-N 0 0 154.253 2.526 10 0 AFAERN CSC[C@H](O)C[C@H](C)CC(C)C 300936472 572100837 /nfs/dbraw/zinc/10/08/37/572100837.db2.gz OGZZQHXFGJJPLT-NXEZZACHSA-N 0 0 190.352 2.783 10 0 AFAERN O[C@H](C=C1CCCCC1)C(F)(F)F 34599641 572100891 /nfs/dbraw/zinc/10/08/91/572100891.db2.gz WLPIJKOLYUJDGP-MRVPVSSYSA-N 0 0 194.196 2.800 10 0 AFAERN Cc1ncccc1-c1ccccc1O 34604407 572100935 /nfs/dbraw/zinc/10/09/35/572100935.db2.gz SZXVECLIHJBXOJ-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN c1ccc([C@@H]2CCS2)cc1 34599034 572100957 /nfs/dbraw/zinc/10/09/57/572100957.db2.gz AGFRDTYHBGSATR-VIFPVBQESA-N 0 0 150.246 2.865 10 0 AFAERN CSCCCNc1ccc(O)cc1 37131732 572100994 /nfs/dbraw/zinc/10/09/94/572100994.db2.gz YOIRMRZVPDQUIU-UHFFFAOYSA-N 0 0 197.303 2.557 10 0 AFAERN C/C=C/C=C/[C@H](O)[C@@H](C)CC 34610143 572101091 /nfs/dbraw/zinc/10/10/91/572101091.db2.gz TUWPWZZXPAPDIJ-FAIFNMGHSA-N 0 0 154.253 2.526 10 0 AFAERN C[C@H]1CC[C@@H](CO)c2ccccc21 34599338 572101093 /nfs/dbraw/zinc/10/10/93/572101093.db2.gz KLIHOGZZQDZYMB-UWVGGRQHSA-N 0 0 176.259 2.660 10 0 AFAERN OC/C=C/C=C\c1ccccc1Cl 79831646 572101192 /nfs/dbraw/zinc/10/11/92/572101192.db2.gz IGAQIXATRSPPRL-KQBQUPHGSA-N 0 0 194.661 2.902 10 0 AFAERN CCCCNc1ccc(OC)c(O)c1 37134875 572101379 /nfs/dbraw/zinc/10/13/79/572101379.db2.gz QSCOCOZJGWIUBD-UHFFFAOYSA-N 0 0 195.262 2.613 10 0 AFAERN CC[C@H]1C(=O)CCc2ccccc21 34616593 572101436 /nfs/dbraw/zinc/10/14/36/572101436.db2.gz RHHATTYTIYFAKF-SNVBAGLBSA-N 0 0 174.243 2.696 10 0 AFAERN C=Cc1c(N)nc2ccccc2c1F 34599516 572101485 /nfs/dbraw/zinc/10/14/85/572101485.db2.gz OANQOBGQRQLHOV-UHFFFAOYSA-N 0 0 188.205 2.599 10 0 AFAERN Cc1c(N)ccc([C@@H]2C=CCC2)c1N 34624108 572101636 /nfs/dbraw/zinc/10/16/36/572101636.db2.gz CLEWUZLONUAGNO-SECBINFHSA-N 0 0 188.274 2.593 10 0 AFAERN CCC[C@@H]1CCCC(=O)CC1 34628179 572101647 /nfs/dbraw/zinc/10/16/47/572101647.db2.gz AOJRGCSPIHVWAN-SECBINFHSA-N 0 0 154.253 2.936 10 0 AFAERN CC(=O)c1c(C)c(C)c(C)c(C)c1O 34625946 572102861 /nfs/dbraw/zinc/10/28/61/572102861.db2.gz YOYSZVCGOWYAPD-UHFFFAOYSA-N 0 0 192.258 2.828 10 0 AFAERN CO/C=C/C=C/C=C/Br 34618735 572101664 /nfs/dbraw/zinc/10/16/64/572101664.db2.gz LXTBFDGUUYWMBS-NYYLHBDNSA-N 0 0 189.052 2.611 10 0 AFAERN Cc1c(N)ccc([C@H]2C=CCC2)c1N 34624106 572101717 /nfs/dbraw/zinc/10/17/17/572101717.db2.gz CLEWUZLONUAGNO-VIFPVBQESA-N 0 0 188.274 2.593 10 0 AFAERN c1ccc2c(c1)C[C@H]1CCC[C@@H]1N2 34622021 572101729 /nfs/dbraw/zinc/10/17/29/572101729.db2.gz FZUWGNDDOVXVGZ-PWSUYJOCSA-N 0 0 173.259 2.823 10 0 AFAERN CC[C@H](O)Cc1ccc(C)cc1Cl 234046576 572101850 /nfs/dbraw/zinc/10/18/50/572101850.db2.gz JZCIPWMGZJHNOR-JTQLQIEISA-N 0 0 198.693 2.962 10 0 AFAERN CCC[C@H]1CCCC(=O)CC1 34628180 572101856 /nfs/dbraw/zinc/10/18/56/572101856.db2.gz AOJRGCSPIHVWAN-VIFPVBQESA-N 0 0 154.253 2.936 10 0 AFAERN C[C@@H](CO)CCCc1ccsc1 82764654 572101887 /nfs/dbraw/zinc/10/18/87/572101887.db2.gz ZFEXMLPJMQKJIJ-SECBINFHSA-N 0 0 184.304 2.699 10 0 AFAERN CCc1ccc(CC[C@@H](C)CO)s1 82764772 572101994 /nfs/dbraw/zinc/10/19/94/572101994.db2.gz CRGGEEQVLYVOAF-SECBINFHSA-N 0 0 198.331 2.872 10 0 AFAERN C[C@H](CO)CCCC(C)(C)C 82764559 572102002 /nfs/dbraw/zinc/10/20/02/572102002.db2.gz VIBBWOCOOGRGQP-VIFPVBQESA-N 0 0 158.285 2.831 10 0 AFAERN O=C1CC2(C1)C[C@H]2c1ccccc1 34622008 572102004 /nfs/dbraw/zinc/10/20/04/572102004.db2.gz SGNZHVWXSNJDGC-NSHDSACASA-N 0 0 172.227 2.523 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)C1CC1 300935663 572102021 /nfs/dbraw/zinc/10/20/21/572102021.db2.gz NCNWVNXCAYQSAA-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC[C@H](C)[C@H](O)C1CC1 300935668 572102066 /nfs/dbraw/zinc/10/20/66/572102066.db2.gz NCNWVNXCAYQSAA-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H](C)CC[C@@H](C)CO 82764595 572102089 /nfs/dbraw/zinc/10/20/89/572102089.db2.gz YLWOLZYKTXDABB-NXEZZACHSA-N 0 0 158.285 2.831 10 0 AFAERN CCCC[C@@H](C)[C@H](O)C1CC1 300935665 572102153 /nfs/dbraw/zinc/10/21/53/572102153.db2.gz NCNWVNXCAYQSAA-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CNC(=O)SC1=C[C@@H](C)CCC1 34622225 572102905 /nfs/dbraw/zinc/10/29/05/572102905.db2.gz OODWXELGEUYUPN-ZETCQYMHSA-N 0 0 185.292 2.763 10 0 AFAERN C[C@H](CO)CCCc1ccsc1 82764653 572102166 /nfs/dbraw/zinc/10/21/66/572102166.db2.gz ZFEXMLPJMQKJIJ-VIFPVBQESA-N 0 0 184.304 2.699 10 0 AFAERN CC1(C)C=CCC(C)(C)C1=O 34621719 572102188 /nfs/dbraw/zinc/10/21/88/572102188.db2.gz UBQJVGIEBOCAJD-UHFFFAOYSA-N 0 0 152.237 2.568 10 0 AFAERN CC[C@H](C)C(=O)c1ccc(O)cc1 34623925 572102250 /nfs/dbraw/zinc/10/22/50/572102250.db2.gz AKODBKLQNAMOLV-QMMMGPOBSA-N 0 0 178.231 2.621 10 0 AFAERN C[C@@H](CO)CCCC(C)(C)C 82764560 572102273 /nfs/dbraw/zinc/10/22/73/572102273.db2.gz VIBBWOCOOGRGQP-SECBINFHSA-N 0 0 158.285 2.831 10 0 AFAERN O[C@H]1C=Cc2cc3ccccc3cc21 34618495 572102302 /nfs/dbraw/zinc/10/23/02/572102302.db2.gz QSVWELSOFUJNSW-ZDUSSCGKSA-N 0 0 182.222 2.900 10 0 AFAERN O=Nc1cccc2cc[nH]c12 34621682 572102319 /nfs/dbraw/zinc/10/23/19/572102319.db2.gz ZYBOCTUPFMMIKI-UHFFFAOYSA-N 0 0 146.149 2.566 10 0 AFAERN CCc1ccc(CC[C@H](C)CO)cc1 82764739 572102332 /nfs/dbraw/zinc/10/23/32/572102332.db2.gz DJJYGFOLHDJOAC-NSHDSACASA-N 0 0 192.302 2.810 10 0 AFAERN C[C@@H](CO)C[C@H]1CCC[C@@H](C)C1 82764746 572102365 /nfs/dbraw/zinc/10/23/65/572102365.db2.gz SPEXRACZSGHLPK-MXWKQRLJSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@H](CO)CCc1ccc(Cl)cc1 82764585 572102376 /nfs/dbraw/zinc/10/23/76/572102376.db2.gz NVVHDVJCQWRXEZ-VIFPVBQESA-N 0 0 198.693 2.901 10 0 AFAERN CNC(=O)SC1=C[C@H](C)CCC1 34622224 572102400 /nfs/dbraw/zinc/10/24/00/572102400.db2.gz OODWXELGEUYUPN-SSDOTTSWSA-N 0 0 185.292 2.763 10 0 AFAERN CCOC[C@@H]1CCNc2ccccc21 233790973 572102401 /nfs/dbraw/zinc/10/24/01/572102401.db2.gz XFKTVHZQUNNWMK-JTQLQIEISA-N 0 0 191.274 2.622 10 0 AFAERN C=C=C(CC)[C@@H](O)c1ccccc1 34622034 572102412 /nfs/dbraw/zinc/10/24/12/572102412.db2.gz PCYGAILSJDPMNN-GFCCVEGCSA-N 0 0 174.243 2.841 10 0 AFAERN CCCC[C@@]12CCC(=O)[C@]1(C)C2 34621894 572102441 /nfs/dbraw/zinc/10/24/41/572102441.db2.gz XQTGNICQUZFSGG-QWRGUYRKSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@H](CO)CCc1cccc(Cl)c1 82764525 572102457 /nfs/dbraw/zinc/10/24/57/572102457.db2.gz JAMXNNRVGZENRI-VIFPVBQESA-N 0 0 198.693 2.901 10 0 AFAERN C[C@@H](CO)CCc1ccc(Cl)cc1 82764586 572102512 /nfs/dbraw/zinc/10/25/12/572102512.db2.gz NVVHDVJCQWRXEZ-SECBINFHSA-N 0 0 198.693 2.901 10 0 AFAERN CCCC[C@H](C)[C@@H](O)C1CC1 300935666 572102532 /nfs/dbraw/zinc/10/25/32/572102532.db2.gz NCNWVNXCAYQSAA-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)CCCC(=O)[C@H]1CCOC1 300936906 572102544 /nfs/dbraw/zinc/10/25/44/572102544.db2.gz VTNUNMKXWRTXGV-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN Cc1cnc(NCC(C)C)nc1Cl 34622537 572102568 /nfs/dbraw/zinc/10/25/68/572102568.db2.gz GATXAMQSZIMFTA-UHFFFAOYSA-N 0 0 199.685 2.506 10 0 AFAERN Cc1cc(C)cc(CC[C@@H](C)CO)c1 82764792 572102876 /nfs/dbraw/zinc/10/28/76/572102876.db2.gz QZSIHCCVUGAJNB-SNVBAGLBSA-N 0 0 192.302 2.864 10 0 AFAERN Cc1ccc2c(c1)NC(=O)CCCC2 34622310 572102878 /nfs/dbraw/zinc/10/28/78/572102878.db2.gz NQFFDYXLGBZSNU-UHFFFAOYSA-N 0 0 189.258 2.660 10 0 AFAERN CCNc1ccccc1COCC 37160495 572102605 /nfs/dbraw/zinc/10/26/05/572102605.db2.gz OFMLMHWHIZHXNQ-UHFFFAOYSA-N 0 0 179.263 2.655 10 0 AFAERN CCC[C@H](C)CC[C@H](C)CO 82764598 572102613 /nfs/dbraw/zinc/10/26/13/572102613.db2.gz YLWOLZYKTXDABB-UWVGGRQHSA-N 0 0 158.285 2.831 10 0 AFAERN C[C@@H](CO)CCc1cccc(Cl)c1 82764526 572102623 /nfs/dbraw/zinc/10/26/23/572102623.db2.gz JAMXNNRVGZENRI-SECBINFHSA-N 0 0 198.693 2.901 10 0 AFAERN Cc1ccc(C)c(CC[C@H](C)CO)c1 82764628 572102625 /nfs/dbraw/zinc/10/26/25/572102625.db2.gz RNYONGDEEFWEHV-NSHDSACASA-N 0 0 192.302 2.864 10 0 AFAERN CCC[C@@H](C)CC[C@H](C)CO 82764597 572102634 /nfs/dbraw/zinc/10/26/34/572102634.db2.gz YLWOLZYKTXDABB-ZJUUUORDSA-N 0 0 158.285 2.831 10 0 AFAERN O=C1CC2(C1)C[C@@H]2c1ccccc1 34622009 572102658 /nfs/dbraw/zinc/10/26/58/572102658.db2.gz SGNZHVWXSNJDGC-LLVKDONJSA-N 0 0 172.227 2.523 10 0 AFAERN CC[C@@H](C)C(=O)c1ccc(O)cc1 34623923 572102749 /nfs/dbraw/zinc/10/27/49/572102749.db2.gz AKODBKLQNAMOLV-MRVPVSSYSA-N 0 0 178.231 2.621 10 0 AFAERN CC(C)C[C@H](C)[C@H](N)C(F)(F)F 300935380 572102769 /nfs/dbraw/zinc/10/27/69/572102769.db2.gz ODBTXWYPFBINLY-BQBZGAKWSA-N 0 0 183.217 2.558 10 0 AFAERN CCc1ccc(CC[C@H](C)CO)s1 82764773 572102808 /nfs/dbraw/zinc/10/28/08/572102808.db2.gz CRGGEEQVLYVOAF-VIFPVBQESA-N 0 0 198.331 2.872 10 0 AFAERN C[C@H](CO)CCc1ccccc1Cl 82764639 572102820 /nfs/dbraw/zinc/10/28/20/572102820.db2.gz KAHSBBXPCIWTJC-VIFPVBQESA-N 0 0 198.693 2.901 10 0 AFAERN C=C=C(CC)[C@H](O)c1ccccc1 34622033 572102835 /nfs/dbraw/zinc/10/28/35/572102835.db2.gz PCYGAILSJDPMNN-LBPRGKRZSA-N 0 0 174.243 2.841 10 0 AFAERN C[C@@H](CO)CCCc1cccs1 82764556 572102845 /nfs/dbraw/zinc/10/28/45/572102845.db2.gz CQTTUYJDMSMHQC-SECBINFHSA-N 0 0 184.304 2.699 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](N)C(F)(F)F 300935382 572102849 /nfs/dbraw/zinc/10/28/49/572102849.db2.gz ODBTXWYPFBINLY-RNFRBKRXSA-N 0 0 183.217 2.558 10 0 AFAERN Cc1ccc(CC[C@H](C)CO)cc1 82764636 572102921 /nfs/dbraw/zinc/10/29/21/572102921.db2.gz GOQWEJCVOGJGRX-NSHDSACASA-N 0 0 178.275 2.556 10 0 AFAERN Cc1ccccc1CC[C@H](C)CO 82764753 572103008 /nfs/dbraw/zinc/10/30/08/572103008.db2.gz ZCGCYLGVPDRCKY-JTQLQIEISA-N 0 0 178.275 2.556 10 0 AFAERN c1cc2cc3c(nc2s1)CCC3 34628808 572103030 /nfs/dbraw/zinc/10/30/30/572103030.db2.gz TVPVUZXQJBIESU-UHFFFAOYSA-N 0 0 175.256 2.785 10 0 AFAERN CCc1ccc(CC[C@@H](C)CO)cc1 82764738 572103033 /nfs/dbraw/zinc/10/30/33/572103033.db2.gz DJJYGFOLHDJOAC-LLVKDONJSA-N 0 0 192.302 2.810 10 0 AFAERN Cc1ccc(C)c(CC[C@@H](C)CO)c1 82764627 572103244 /nfs/dbraw/zinc/10/32/44/572103244.db2.gz RNYONGDEEFWEHV-LLVKDONJSA-N 0 0 192.302 2.864 10 0 AFAERN OC/C=C/CC1CCCCC1 34621754 572103073 /nfs/dbraw/zinc/10/30/73/572103073.db2.gz IXFHCABRYGXWSU-SNAWJCMRSA-N 0 0 154.253 2.505 10 0 AFAERN Cc1cccc(CC[C@H](C)CO)c1 82764532 572103249 /nfs/dbraw/zinc/10/32/49/572103249.db2.gz CMCXXJZXSVFCOB-NSHDSACASA-N 0 0 178.275 2.556 10 0 AFAERN CC[C@@H](C)CN(C)c1ccccc1N 37172832 572103166 /nfs/dbraw/zinc/10/31/66/572103166.db2.gz DGSQXXINQBZFCF-SNVBAGLBSA-N 0 0 192.306 2.751 10 0 AFAERN Cc1ccc(CC[C@@H](C)CO)cc1C 82764565 572103200 /nfs/dbraw/zinc/10/32/00/572103200.db2.gz ARUOXPIBPWRTAX-SNVBAGLBSA-N 0 0 192.302 2.864 10 0 AFAERN CSC(=C[C@@H](O)C(C)C)SC 34618859 572103219 /nfs/dbraw/zinc/10/32/19/572103219.db2.gz MSTBQSRQFDTWGT-SSDOTTSWSA-N 0 0 192.349 2.571 10 0 AFAERN CC(C)C[C@H](C)[C@@H](N)C(F)(F)F 300935381 572103612 /nfs/dbraw/zinc/10/36/12/572103612.db2.gz ODBTXWYPFBINLY-NKWVEPMBSA-N 0 0 183.217 2.558 10 0 AFAERN C[C@@H](CO)CCc1ccccc1Cl 82764640 572103493 /nfs/dbraw/zinc/10/34/93/572103493.db2.gz KAHSBBXPCIWTJC-SECBINFHSA-N 0 0 198.693 2.901 10 0 AFAERN COCC(=O)CC[C@H](C)CC(C)C 300935414 572103494 /nfs/dbraw/zinc/10/34/94/572103494.db2.gz OEBQWFZMAMNIGE-JTQLQIEISA-N 0 0 186.295 2.664 10 0 AFAERN Cc1ccc(CC[C@H](C)CO)cc1C 82764566 572103503 /nfs/dbraw/zinc/10/35/03/572103503.db2.gz ARUOXPIBPWRTAX-JTQLQIEISA-N 0 0 192.302 2.864 10 0 AFAERN O=C1CCC[C@H](c2ccc(O)cc2)C1 34622330 572103518 /nfs/dbraw/zinc/10/35/18/572103518.db2.gz XAORBISQKNRUML-JTQLQIEISA-N 0 0 190.242 2.619 10 0 AFAERN C[C@@H](CO)C[C@@H]1CCC[C@@H](C)C1 82764748 572103519 /nfs/dbraw/zinc/10/35/19/572103519.db2.gz SPEXRACZSGHLPK-GMTAPVOTSA-N 0 0 170.296 2.831 10 0 AFAERN CSC(=C[C@H](O)C(C)C)SC 34618861 572103544 /nfs/dbraw/zinc/10/35/44/572103544.db2.gz MSTBQSRQFDTWGT-ZETCQYMHSA-N 0 0 192.349 2.571 10 0 AFAERN CCC[C@H](C)CC[C@@H](C)CO 82764596 572103552 /nfs/dbraw/zinc/10/35/52/572103552.db2.gz YLWOLZYKTXDABB-VHSXEESVSA-N 0 0 158.285 2.831 10 0 AFAERN O=C1CCC[C@@H](c2ccc(O)cc2)C1 34622329 572103574 /nfs/dbraw/zinc/10/35/74/572103574.db2.gz XAORBISQKNRUML-SNVBAGLBSA-N 0 0 190.242 2.619 10 0 AFAERN C[C@H](CO)CCCc1cccs1 82764555 572103810 /nfs/dbraw/zinc/10/38/10/572103810.db2.gz CQTTUYJDMSMHQC-VIFPVBQESA-N 0 0 184.304 2.699 10 0 AFAERN O[C@@H]1C=Cc2cc3ccccc3cc21 34618497 572103877 /nfs/dbraw/zinc/10/38/77/572103877.db2.gz QSVWELSOFUJNSW-CYBMUJFWSA-N 0 0 182.222 2.900 10 0 AFAERN Clc1ccn(Cc2ccccc2)n1 34627747 572103880 /nfs/dbraw/zinc/10/38/80/572103880.db2.gz WYDZIHBVMUKSPK-UHFFFAOYSA-N 0 0 192.649 2.585 10 0 AFAERN CC[C@H](C)CN(C)c1ccccc1N 37172833 572103908 /nfs/dbraw/zinc/10/39/08/572103908.db2.gz DGSQXXINQBZFCF-JTQLQIEISA-N 0 0 192.306 2.751 10 0 AFAERN Cc1ccc(CC[C@@H](C)CO)cc1 82764635 572103833 /nfs/dbraw/zinc/10/38/33/572103833.db2.gz GOQWEJCVOGJGRX-LLVKDONJSA-N 0 0 178.275 2.556 10 0 AFAERN COc1ccc(-c2cccn2C)cc1 34628649 572103915 /nfs/dbraw/zinc/10/39/15/572103915.db2.gz PXBQWUKXYCCXER-UHFFFAOYSA-N 0 0 187.242 2.701 10 0 AFAERN CC(C)C[C@@H](C)[C@H](N)C(F)(F)F 300935383 572103924 /nfs/dbraw/zinc/10/39/24/572103924.db2.gz ODBTXWYPFBINLY-RQJHMYQMSA-N 0 0 183.217 2.558 10 0 AFAERN CC[C@@H](C)CN(C)c1cccc(N)c1 37172804 572103989 /nfs/dbraw/zinc/10/39/89/572103989.db2.gz XPZDMCRWFSGSDG-SNVBAGLBSA-N 0 0 192.306 2.751 10 0 AFAERN C[C@@H]1C[C@@H](O)c2cccc(Cl)c2N1 71481129 572104068 /nfs/dbraw/zinc/10/40/68/572104068.db2.gz ZCAXRYUECSPEIO-HZGVNTEJSA-N 0 0 197.665 2.578 10 0 AFAERN CCCc1c(O)cccc1Cl 34741789 572104156 /nfs/dbraw/zinc/10/41/56/572104156.db2.gz BBRQWWFIBYHQTA-UHFFFAOYSA-N 0 0 170.639 2.998 10 0 AFAERN CC(C)(C)CCCC(=O)[C@@H]1CCOC1 300937841 572104174 /nfs/dbraw/zinc/10/41/74/572104174.db2.gz VTNUNMKXWRTXGV-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccoc1Cl 234049195 572104185 /nfs/dbraw/zinc/10/41/85/572104185.db2.gz BUVMQISDRRMCMK-IMTBSYHQSA-N 0 0 186.638 2.551 10 0 AFAERN CC[C@H]1C[C@]1(O)c1c(C)cccc1C 234048413 572104228 /nfs/dbraw/zinc/10/42/28/572104228.db2.gz NPKIXIGTBQLXFG-WCQYABFASA-N 0 0 190.286 2.921 10 0 AFAERN C[C@@H]1CC(C)(C)c2ccc(O)cc2O1 34731189 572104921 /nfs/dbraw/zinc/10/49/21/572104921.db2.gz VEUOLSHJPKQQOX-MRVPVSSYSA-N 0 0 192.258 2.841 10 0 AFAERN CC[C@@](C)(OC)[C@H](O)CC(C)(C)C 713217478 572104237 /nfs/dbraw/zinc/10/42/37/572104237.db2.gz LAJMDNOVQODDPB-MWLCHTKSSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@](C)(OC)[C@H](O)CC(C)(C)C 713217477 572104240 /nfs/dbraw/zinc/10/42/40/572104240.db2.gz LAJMDNOVQODDPB-KOLCDFICSA-N 0 0 188.311 2.599 10 0 AFAERN CO[C@H]1c2cc(F)ccc2NC[C@H]1C 71480555 572104922 /nfs/dbraw/zinc/10/49/22/572104922.db2.gz KGXGLUBJGXKQPR-RDDDGLTNSA-N 0 0 195.237 2.575 10 0 AFAERN CO[C@H]1C[C@H](C)Nc2c(F)cccc21 71481124 572104306 /nfs/dbraw/zinc/10/43/06/572104306.db2.gz GFPGEQRIVXPEII-XVKPBYJWSA-N 0 0 195.237 2.717 10 0 AFAERN C[C@@H]1C[C@@H]1[C@](C)(O)CC(C)(C)C 713217466 572104330 /nfs/dbraw/zinc/10/43/30/572104330.db2.gz KPJLRHTYMYPDNO-WCABBAIRSA-N 0 0 170.296 2.830 10 0 AFAERN CO[C@@H]1C[C@H](C)Nc2c(C)cccc21 71481094 572104338 /nfs/dbraw/zinc/10/43/38/572104338.db2.gz HGAHYOGEKAQXPB-GXSJLCMTSA-N 0 0 191.274 2.887 10 0 AFAERN CO[C@H]1c2cccc(F)c2NC[C@@H]1C 71480332 572104343 /nfs/dbraw/zinc/10/43/43/572104343.db2.gz PDQIKCLQABSTKN-WRWORJQWSA-N 0 0 195.237 2.575 10 0 AFAERN CC(C)(C)C[C@@](C)(CO)C1CC1 713217510 572104361 /nfs/dbraw/zinc/10/43/61/572104361.db2.gz LMFPUVYLEHEIDK-NSHDSACASA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)CCSc1ccc(N)nc1 37192510 572104380 /nfs/dbraw/zinc/10/43/80/572104380.db2.gz JSLQOWLGMYINMX-UHFFFAOYSA-N 0 0 196.319 2.802 10 0 AFAERN CC(C)C[C@@H](O)CC(C)(C)C 17407558 572104929 /nfs/dbraw/zinc/10/49/29/572104929.db2.gz ITTQYDBLGDGLMB-SECBINFHSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)=C[C@@](C)(O)C(C)(C)C 17414933 572104436 /nfs/dbraw/zinc/10/44/36/572104436.db2.gz ASKQYBBWJLSUKM-SNVBAGLBSA-N 0 0 156.269 2.750 10 0 AFAERN CO[C@@H]1c2cc(C)ccc2NC[C@@H]1C 71480526 572104454 /nfs/dbraw/zinc/10/44/54/572104454.db2.gz GJYNTBAJNPIPPI-CABZTGNLSA-N 0 0 191.274 2.744 10 0 AFAERN CC(=O)C/C(C)=C/C(C)(C)C 17411274 572104462 /nfs/dbraw/zinc/10/44/62/572104462.db2.gz ANFMPOPJMRMVEA-BQYQJAHWSA-N 0 0 154.253 2.958 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccoc1Cl 234049358 572104516 /nfs/dbraw/zinc/10/45/16/572104516.db2.gz BUVMQISDRRMCMK-RCOVLWMOSA-N 0 0 186.638 2.551 10 0 AFAERN Cc1cc2c(cc1C)[C@@H](O)C[C@H](C)N2 71481678 572104569 /nfs/dbraw/zinc/10/45/69/572104569.db2.gz ALWNEZHCCFHCDO-CABZTGNLSA-N 0 0 191.274 2.541 10 0 AFAERN CC(C)=C[C@@H](O)CC(C)(C)C 17409879 572104592 /nfs/dbraw/zinc/10/45/92/572104592.db2.gz IMUQODRJRCBBLD-SECBINFHSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1cc2c(cc1C)[C@@H](O)C[C@@H](C)N2 71481677 572104659 /nfs/dbraw/zinc/10/46/59/572104659.db2.gz ALWNEZHCCFHCDO-SKDRFNHKSA-N 0 0 191.274 2.541 10 0 AFAERN CO[C@H]1C[C@@H](C)Nc2c(F)cccc21 71481123 572104746 /nfs/dbraw/zinc/10/47/46/572104746.db2.gz GFPGEQRIVXPEII-XCBNKYQSSA-N 0 0 195.237 2.717 10 0 AFAERN CCCCCSc1ncccc1N 37190894 572104843 /nfs/dbraw/zinc/10/48/43/572104843.db2.gz JPGHLTJKKWZHKY-UHFFFAOYSA-N 0 0 196.319 2.946 10 0 AFAERN CC(C)C[C@](C)(O)C(C)(C)C 17413677 572104785 /nfs/dbraw/zinc/10/47/85/572104785.db2.gz JPHPZXVLZOPSJN-JTQLQIEISA-N 0 0 158.285 2.830 10 0 AFAERN CO[C@@H]1c2cccc(C)c2NC[C@H]1C 71480300 572104802 /nfs/dbraw/zinc/10/48/02/572104802.db2.gz VEMKAZJMEDXISC-SKDRFNHKSA-N 0 0 191.274 2.744 10 0 AFAERN C[C@H](O)C[C@@H](C)CC(C)(C)C 17407517 572104828 /nfs/dbraw/zinc/10/48/28/572104828.db2.gz FHQUDZUTAZYJRH-BDAKNGLRSA-N 0 0 158.285 2.830 10 0 AFAERN CO[C@@H]1c2ccc(C)cc2NC[C@H]1C 71480428 572104835 /nfs/dbraw/zinc/10/48/35/572104835.db2.gz BZWRIHFERZITJZ-SKDRFNHKSA-N 0 0 191.274 2.744 10 0 AFAERN CCCc1ccc(Cl)cc1O 34741790 572104847 /nfs/dbraw/zinc/10/48/47/572104847.db2.gz LHNIWOPTIYFVDY-UHFFFAOYSA-N 0 0 170.639 2.998 10 0 AFAERN CC(C)CCSc1ncccc1N 37190897 572104862 /nfs/dbraw/zinc/10/48/62/572104862.db2.gz CCDVMSCPDOKJKP-UHFFFAOYSA-N 0 0 196.319 2.802 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@H](C)C[C@@H]2O 71481645 572104908 /nfs/dbraw/zinc/10/49/08/572104908.db2.gz ZQCXYMFKMTUHIU-KOLCDFICSA-N 0 0 191.274 2.541 10 0 AFAERN CCCCCSc1ccc(N)nc1 37192507 572105322 /nfs/dbraw/zinc/10/53/22/572105322.db2.gz OADOMUOPELGYJJ-UHFFFAOYSA-N 0 0 196.319 2.946 10 0 AFAERN CO[C@@H]1c2cc(F)ccc2NC[C@H]1C 71480557 572105029 /nfs/dbraw/zinc/10/50/29/572105029.db2.gz KGXGLUBJGXKQPR-HQJQHLMTSA-N 0 0 195.237 2.575 10 0 AFAERN CC(C)CC(C)(C)C[C@H](C)O 17411684 572105046 /nfs/dbraw/zinc/10/50/46/572105046.db2.gz NZIMDUMYNYVSPO-VIFPVBQESA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)C[C@@](C)(O)C(C)(C)C 17413675 572105100 /nfs/dbraw/zinc/10/51/00/572105100.db2.gz JPHPZXVLZOPSJN-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)=C[C@](C)(O)CC(C)C 17412780 572105188 /nfs/dbraw/zinc/10/51/88/572105188.db2.gz HOMYCSGLOGENFE-JTQLQIEISA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)=C[C@](C)(O)C(C)(C)C 17414934 572105195 /nfs/dbraw/zinc/10/51/95/572105195.db2.gz ASKQYBBWJLSUKM-JTQLQIEISA-N 0 0 156.269 2.750 10 0 AFAERN CO[C@@H]1c2cccc(F)c2NC[C@H]1C 71480333 572105199 /nfs/dbraw/zinc/10/51/99/572105199.db2.gz PDQIKCLQABSTKN-HQJQHLMTSA-N 0 0 195.237 2.575 10 0 AFAERN CO[C@H]1c2cc(C)ccc2NC[C@@H]1C 71480525 572105265 /nfs/dbraw/zinc/10/52/65/572105265.db2.gz GJYNTBAJNPIPPI-JOYOIKCWSA-N 0 0 191.274 2.744 10 0 AFAERN CO[C@@H]1C[C@H](C)Nc2ccccc21 71481062 572105271 /nfs/dbraw/zinc/10/52/71/572105271.db2.gz CCXAHMULNABIRB-GZMMTYOYSA-N 0 0 177.247 2.578 10 0 AFAERN CCc1c(C)[nH]c(C)c1CC 34723683 572105903 /nfs/dbraw/zinc/10/59/03/572105903.db2.gz HBEAJORQBYUSHK-UHFFFAOYSA-N 0 0 151.253 2.756 10 0 AFAERN CCCCSc1ccc(N)nc1 37192508 572105307 /nfs/dbraw/zinc/10/53/07/572105307.db2.gz MNKZRJCKRUBKAW-UHFFFAOYSA-N 0 0 182.292 2.556 10 0 AFAERN CO[C@H]1c2cc(F)ccc2NC[C@@H]1C 71480556 572105329 /nfs/dbraw/zinc/10/53/29/572105329.db2.gz KGXGLUBJGXKQPR-WRWORJQWSA-N 0 0 195.237 2.575 10 0 AFAERN Cc1cc2c(cc1C)[C@H](O)C[C@@H](C)N2 71481679 572105332 /nfs/dbraw/zinc/10/53/32/572105332.db2.gz ALWNEZHCCFHCDO-BXKDBHETSA-N 0 0 191.274 2.541 10 0 AFAERN C[C@H](C[C@@H](C)O)CC(C)(C)C 17407515 572105369 /nfs/dbraw/zinc/10/53/69/572105369.db2.gz FHQUDZUTAZYJRH-RKDXNWHRSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)C[C@H](O)CC(C)(C)C 17407560 572105393 /nfs/dbraw/zinc/10/53/93/572105393.db2.gz ITTQYDBLGDGLMB-VIFPVBQESA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)CC(C)(C)C[C@@H](C)O 17411682 572105411 /nfs/dbraw/zinc/10/54/11/572105411.db2.gz NZIMDUMYNYVSPO-SECBINFHSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)(C)C[C@](C)(CO)C1CC1 713217508 572105448 /nfs/dbraw/zinc/10/54/48/572105448.db2.gz LMFPUVYLEHEIDK-LLVKDONJSA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1c(C)cccc1C 234048646 572105450 /nfs/dbraw/zinc/10/54/50/572105450.db2.gz NPKIXIGTBQLXFG-AAEUAGOBSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@](C)(OC)[C@@H](O)CC(C)(C)C 713217479 572105453 /nfs/dbraw/zinc/10/54/53/572105453.db2.gz LAJMDNOVQODDPB-ONGXEEELSA-N 0 0 188.311 2.599 10 0 AFAERN CO[C@H]1C[C@H](C)Nc2ccccc21 71481060 572105466 /nfs/dbraw/zinc/10/54/66/572105466.db2.gz CCXAHMULNABIRB-KWQFWETISA-N 0 0 177.247 2.578 10 0 AFAERN CC(C)=C[C@@](C)(O)CC(C)C 17412781 572105478 /nfs/dbraw/zinc/10/54/78/572105478.db2.gz HOMYCSGLOGENFE-SNVBAGLBSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@@H](C)C[C@H]2O 71481648 572105480 /nfs/dbraw/zinc/10/54/80/572105480.db2.gz ZQCXYMFKMTUHIU-GXSJLCMTSA-N 0 0 191.274 2.541 10 0 AFAERN Fc1ncc(Cl)c(F)c1Cl 34734184 572105482 /nfs/dbraw/zinc/10/54/82/572105482.db2.gz MSGCMOGAEFPFDE-UHFFFAOYSA-N 0 0 183.972 2.667 10 0 AFAERN C[C@H](O)CC(C)(C)C(C)(C)C 17413421 572105496 /nfs/dbraw/zinc/10/54/96/572105496.db2.gz MPOBLDOHOWLLHG-QMMMGPOBSA-N 0 0 158.285 2.830 10 0 AFAERN C[C@@H]1C[C@H](O)c2cccc(Cl)c2N1 71481127 572105510 /nfs/dbraw/zinc/10/55/10/572105510.db2.gz ZCAXRYUECSPEIO-MUWHJKNJSA-N 0 0 197.665 2.578 10 0 AFAERN CO[C@H]1C[C@@H](C)Nc2ccccc21 71481059 572105526 /nfs/dbraw/zinc/10/55/26/572105526.db2.gz CCXAHMULNABIRB-KCJUWKMLSA-N 0 0 177.247 2.578 10 0 AFAERN C[C@@H]1C[C@H]1[C@](C)(O)CC(C)(C)C 713217464 572105528 /nfs/dbraw/zinc/10/55/28/572105528.db2.gz KPJLRHTYMYPDNO-FXPVBKGRSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1cccc(N)c1SC 34729689 572105542 /nfs/dbraw/zinc/10/55/42/572105542.db2.gz KYGKEGKCMRCLQC-UHFFFAOYSA-N 0 0 167.277 2.553 10 0 AFAERN CC(C)=C[C@H](O)CC(C)(C)C 17409881 572105557 /nfs/dbraw/zinc/10/55/57/572105557.db2.gz IMUQODRJRCBBLD-VIFPVBQESA-N 0 0 156.269 2.750 10 0 AFAERN CO[C@@H]1C[C@H](C)Nc2c(F)cccc21 71481126 572105566 /nfs/dbraw/zinc/10/55/66/572105566.db2.gz GFPGEQRIVXPEII-OIBJUYFYSA-N 0 0 195.237 2.717 10 0 AFAERN CO[C@@H]1c2cccc(F)c2NC[C@@H]1C 71480334 572105573 /nfs/dbraw/zinc/10/55/73/572105573.db2.gz PDQIKCLQABSTKN-CPCISQLKSA-N 0 0 195.237 2.575 10 0 AFAERN CO[C@@H]1c2cccc(C)c2NC[C@@H]1C 71480299 572105590 /nfs/dbraw/zinc/10/55/90/572105590.db2.gz VEMKAZJMEDXISC-CABZTGNLSA-N 0 0 191.274 2.744 10 0 AFAERN C[C@H]1C[C@@H](O)c2cccc(Cl)c2N1 71481130 572105655 /nfs/dbraw/zinc/10/56/55/572105655.db2.gz ZCAXRYUECSPEIO-IMTBSYHQSA-N 0 0 197.665 2.578 10 0 AFAERN CO[C@@H]1c2ccc(C)cc2NC[C@@H]1C 71480427 572105600 /nfs/dbraw/zinc/10/56/00/572105600.db2.gz BZWRIHFERZITJZ-CABZTGNLSA-N 0 0 191.274 2.744 10 0 AFAERN CO[C@H]1c2ccc(C)cc2NC[C@@H]1C 71480429 572105631 /nfs/dbraw/zinc/10/56/31/572105631.db2.gz BZWRIHFERZITJZ-JOYOIKCWSA-N 0 0 191.274 2.744 10 0 AFAERN CC[C@@](C)(OC)[C@@H](O)CC(C)(C)C 713217476 572105672 /nfs/dbraw/zinc/10/56/72/572105672.db2.gz LAJMDNOVQODDPB-GXSJLCMTSA-N 0 0 188.311 2.599 10 0 AFAERN CO[C@H]1c2cccc(C)c2NC[C@H]1C 71480302 572105778 /nfs/dbraw/zinc/10/57/78/572105778.db2.gz VEMKAZJMEDXISC-BXKDBHETSA-N 0 0 191.274 2.744 10 0 AFAERN C[C@H]1C[C@H](O)c2cccc(Cl)c2N1 71481128 572105816 /nfs/dbraw/zinc/10/58/16/572105816.db2.gz ZCAXRYUECSPEIO-RCOVLWMOSA-N 0 0 197.665 2.578 10 0 AFAERN CO[C@@H]1C[C@@H](C)Nc2c(C)cccc21 71481093 572105825 /nfs/dbraw/zinc/10/58/25/572105825.db2.gz HGAHYOGEKAQXPB-MWLCHTKSSA-N 0 0 191.274 2.887 10 0 AFAERN CO[C@H]1c2ccc(C)cc2NC[C@H]1C 71480430 572105871 /nfs/dbraw/zinc/10/58/71/572105871.db2.gz BZWRIHFERZITJZ-BXKDBHETSA-N 0 0 191.274 2.744 10 0 AFAERN CO[C@H]1C[C@@H](C)Nc2c(C)cccc21 71481091 572105885 /nfs/dbraw/zinc/10/58/85/572105885.db2.gz HGAHYOGEKAQXPB-KOLCDFICSA-N 0 0 191.274 2.887 10 0 AFAERN CC(C)[C@H](O)C(C)(C)C(C)C 17475814 572105913 /nfs/dbraw/zinc/10/59/13/572105913.db2.gz VVRHXTVKOHXZJX-VIFPVBQESA-N 0 0 158.285 2.686 10 0 AFAERN C=C(Cl)c1c(C)c(C=O)n(C)c1C 34722901 572105916 /nfs/dbraw/zinc/10/59/16/572105916.db2.gz JNROIONQRBZPAK-UHFFFAOYSA-N 0 0 197.665 2.664 10 0 AFAERN C[C@@H]1C[C@H]1[C@@](C)(O)CC(C)(C)C 713217465 572105933 /nfs/dbraw/zinc/10/59/33/572105933.db2.gz KPJLRHTYMYPDNO-KKZNHRDASA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@H](C)C[C@H]2O 71481647 572105942 /nfs/dbraw/zinc/10/59/42/572105942.db2.gz ZQCXYMFKMTUHIU-MWLCHTKSSA-N 0 0 191.274 2.541 10 0 AFAERN CO[C@@H]1C[C@@H](C)Nc2ccccc21 71481061 572105962 /nfs/dbraw/zinc/10/59/62/572105962.db2.gz CCXAHMULNABIRB-LDYMZIIASA-N 0 0 177.247 2.578 10 0 AFAERN CCCC[C@@H](C)C(=O)[C@@H]1CCCOC1 300938047 572105977 /nfs/dbraw/zinc/10/59/77/572105977.db2.gz NMECNTXJWSAOFP-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CO[C@H]1c2cccc(C)c2NC[C@@H]1C 71480301 572105979 /nfs/dbraw/zinc/10/59/79/572105979.db2.gz VEMKAZJMEDXISC-JOYOIKCWSA-N 0 0 191.274 2.744 10 0 AFAERN C[C@H]1CC(C)(C)c2ccc(O)cc2O1 34731192 572106027 /nfs/dbraw/zinc/10/60/27/572106027.db2.gz VEUOLSHJPKQQOX-QMMMGPOBSA-N 0 0 192.258 2.841 10 0 AFAERN CO[C@H]1C[C@H](C)Nc2c(C)cccc21 71481092 572106091 /nfs/dbraw/zinc/10/60/91/572106091.db2.gz HGAHYOGEKAQXPB-ONGXEEELSA-N 0 0 191.274 2.887 10 0 AFAERN CO[C@H]1c2cccc(F)c2NC[C@H]1C 71480331 572106112 /nfs/dbraw/zinc/10/61/12/572106112.db2.gz PDQIKCLQABSTKN-RDDDGLTNSA-N 0 0 195.237 2.575 10 0 AFAERN CO[C@@H]1c2cc(F)ccc2NC[C@@H]1C 71480558 572106165 /nfs/dbraw/zinc/10/61/65/572106165.db2.gz KGXGLUBJGXKQPR-CPCISQLKSA-N 0 0 195.237 2.575 10 0 AFAERN CO[C@@H]1C[C@@H](C)Nc2c(F)cccc21 71481125 572106231 /nfs/dbraw/zinc/10/62/31/572106231.db2.gz GFPGEQRIVXPEII-GMSGAONNSA-N 0 0 195.237 2.717 10 0 AFAERN CO[C@H]1c2cc(C)ccc2NC[C@H]1C 71480523 572106300 /nfs/dbraw/zinc/10/63/00/572106300.db2.gz GJYNTBAJNPIPPI-BXKDBHETSA-N 0 0 191.274 2.744 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@](C)(O)CC(C)(C)C 713217467 572106308 /nfs/dbraw/zinc/10/63/08/572106308.db2.gz KPJLRHTYMYPDNO-YWVKMMECSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cc2c(cc1C)[C@H](O)C[C@H](C)N2 71481680 572106323 /nfs/dbraw/zinc/10/63/23/572106323.db2.gz ALWNEZHCCFHCDO-JOYOIKCWSA-N 0 0 191.274 2.541 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@@H](C)C[C@@H]2O 71481646 572106362 /nfs/dbraw/zinc/10/63/62/572106362.db2.gz ZQCXYMFKMTUHIU-ONGXEEELSA-N 0 0 191.274 2.541 10 0 AFAERN CO[C@@H]1c2cc(C)ccc2NC[C@H]1C 71480524 572106365 /nfs/dbraw/zinc/10/63/65/572106365.db2.gz GJYNTBAJNPIPPI-SKDRFNHKSA-N 0 0 191.274 2.744 10 0 AFAERN CC(C)[C@@H](O)C(C)(C)C(C)C 17475810 572106538 /nfs/dbraw/zinc/10/65/38/572106538.db2.gz VVRHXTVKOHXZJX-SECBINFHSA-N 0 0 158.285 2.686 10 0 AFAERN CC(C)C(=O)C(C)(C)C(C)C 17489617 572106721 /nfs/dbraw/zinc/10/67/21/572106721.db2.gz DOFCYFVKLLTURA-UHFFFAOYSA-N 0 0 156.269 2.894 10 0 AFAERN COc1cccc2c1N[C@H](C)[C@@H]2C 71484503 572106816 /nfs/dbraw/zinc/10/68/16/572106816.db2.gz XYNQCTNKNPPGTG-JGVFFNPUSA-N 0 0 177.247 2.613 10 0 AFAERN COc1ccc2c(c1)N[C@@H](C)[C@@H]2C 71484454 572106940 /nfs/dbraw/zinc/10/69/40/572106940.db2.gz ZNACWNQDVDVHDP-YUMQZZPRSA-N 0 0 177.247 2.613 10 0 AFAERN CCc1ccccc1CNCC(F)F 82774669 572106978 /nfs/dbraw/zinc/10/69/78/572106978.db2.gz BWIXKZVTHSNDOY-UHFFFAOYSA-N 0 0 199.244 2.604 10 0 AFAERN CC(=O)C(C)(C)/C=C/C(C)C 17553693 572107182 /nfs/dbraw/zinc/10/71/82/572107182.db2.gz SEWWYJXDPVGGBA-VOTSOKGWSA-N 0 0 154.253 2.814 10 0 AFAERN OC[C@H]1CCCC=C1c1ccccc1 34743639 572107370 /nfs/dbraw/zinc/10/73/70/572107370.db2.gz WAWVQNZMEUHMJL-GFCCVEGCSA-N 0 0 188.270 2.862 10 0 AFAERN Nc1ccc(O)c(-c2cccs2)c1 34763401 572107571 /nfs/dbraw/zinc/10/75/71/572107571.db2.gz UHPYSQWCGLSXEE-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN COc1ccc2c(c1)[C@@H](C)[C@H](C)N2 71484423 572107718 /nfs/dbraw/zinc/10/77/18/572107718.db2.gz NFVOUDOZYBZNOX-YUMQZZPRSA-N 0 0 177.247 2.613 10 0 AFAERN COc1cccc2c1[C@@H](C)[C@@H](C)N2 71484458 572107761 /nfs/dbraw/zinc/10/77/61/572107761.db2.gz SBRGEHXXHNSBQI-JGVFFNPUSA-N 0 0 177.247 2.613 10 0 AFAERN CCc1cc2c(OC)cccn2c1 34763291 572108079 /nfs/dbraw/zinc/10/80/79/572108079.db2.gz OKJFUEZJGAUGTD-UHFFFAOYSA-N 0 0 175.231 2.510 10 0 AFAERN C/C=C\C(C)(C)CC 80357408 572108084 /nfs/dbraw/zinc/10/80/84/572108084.db2.gz OQEVAISXHCRQGF-ALCCZGGFSA-N 0 0 112.216 2.999 10 0 AFAERN CC[C@H](NN)c1ccc(Cl)cc1C 234052820 572108399 /nfs/dbraw/zinc/10/83/99/572108399.db2.gz WGYPWDKONXLYBY-JTQLQIEISA-N 0 0 198.697 2.563 10 0 AFAERN CC(=O)C1(CCc2ccccc2)CC1 71482972 572108478 /nfs/dbraw/zinc/10/84/78/572108478.db2.gz WGCKEQGKOYKACT-UHFFFAOYSA-N 0 0 188.270 2.988 10 0 AFAERN Cc1ccc2c(c1)[C@H](C)[C@H](C)N2 71484369 572108708 /nfs/dbraw/zinc/10/87/08/572108708.db2.gz URZVLAFRPLGILF-BDAKNGLRSA-N 0 0 161.248 2.913 10 0 AFAERN COc1cccc2c1N[C@H](C)[C@H]2C 71484505 572108755 /nfs/dbraw/zinc/10/87/55/572108755.db2.gz XYNQCTNKNPPGTG-HTQZYQBOSA-N 0 0 177.247 2.613 10 0 AFAERN O=c1cc(C(F)F)c2ccccc2o1 34773869 572108777 /nfs/dbraw/zinc/10/87/77/572108777.db2.gz XTLWAUDKBLSVBV-UHFFFAOYSA-N 0 0 196.152 2.731 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)[C@@H](C)C=C[C@H]1C 34768986 572108787 /nfs/dbraw/zinc/10/87/87/572108787.db2.gz OOTFUOPBLAOKRN-FIRGSJFUSA-N 0 0 166.264 2.670 10 0 AFAERN CC(C)c1cccc2cc[nH]c(=O)c12 34752543 572108812 /nfs/dbraw/zinc/10/88/12/572108812.db2.gz HGUHMEHHVZPRFY-UHFFFAOYSA-N 0 0 187.242 2.652 10 0 AFAERN Cc1ccc2c(c1)[C@H](C)[C@@H](C)N2 71484372 572108857 /nfs/dbraw/zinc/10/88/57/572108857.db2.gz URZVLAFRPLGILF-RKDXNWHRSA-N 0 0 161.248 2.913 10 0 AFAERN O=CNc1ccc(F)c2ccccc12 34751184 572108873 /nfs/dbraw/zinc/10/88/73/572108873.db2.gz ATVFOMSBZOJFSK-UHFFFAOYSA-N 0 0 189.189 2.547 10 0 AFAERN c1ccc2c(c1)CC[C@@H]1CCCN21 34771043 572108897 /nfs/dbraw/zinc/10/88/97/572108897.db2.gz KUHKFJPHPOPHDT-NSHDSACASA-N 0 0 173.259 2.602 10 0 AFAERN CC(C)CCC(C)(C)[C@H](C)O 17545939 572109036 /nfs/dbraw/zinc/10/90/36/572109036.db2.gz GEDHAHWKPCYCAA-VIFPVBQESA-N 0 0 158.285 2.830 10 0 AFAERN CNc1ccc2c(NC)cccc2c1 34770556 572109048 /nfs/dbraw/zinc/10/90/48/572109048.db2.gz NRNFWCZKGAWFHO-UHFFFAOYSA-N 0 0 186.258 2.923 10 0 AFAERN CC(=O)C(C)(C)CC=C(C)C 17558481 572109130 /nfs/dbraw/zinc/10/91/30/572109130.db2.gz DRYPMWXQRMUMMI-UHFFFAOYSA-N 0 0 154.253 2.958 10 0 AFAERN COc1cccc2c1N[C@@H](C)[C@H]2C 71484509 572109201 /nfs/dbraw/zinc/10/92/01/572109201.db2.gz XYNQCTNKNPPGTG-SFYZADRCSA-N 0 0 177.247 2.613 10 0 AFAERN CNc1cccc2cc(OC)ccc12 34770554 572109236 /nfs/dbraw/zinc/10/92/36/572109236.db2.gz JFQYSUIAIZPZGB-UHFFFAOYSA-N 0 0 187.242 2.890 10 0 AFAERN CC(C)CCC(C)(C)[C@@H](C)O 17545936 572109296 /nfs/dbraw/zinc/10/92/96/572109296.db2.gz GEDHAHWKPCYCAA-SECBINFHSA-N 0 0 158.285 2.830 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C)[C@H](C)N2 71484371 572109353 /nfs/dbraw/zinc/10/93/53/572109353.db2.gz URZVLAFRPLGILF-IUCAKERBSA-N 0 0 161.248 2.913 10 0 AFAERN CCc1c(C)cn2ccccc12 34763295 572109386 /nfs/dbraw/zinc/10/93/86/572109386.db2.gz PHRGKZJMCKAINC-UHFFFAOYSA-N 0 0 159.232 2.810 10 0 AFAERN Nc1ccc(O)c(-c2ccsc2)c1 34763403 572109447 /nfs/dbraw/zinc/10/94/47/572109447.db2.gz GMKMUQWGODPEDC-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN Nc1ccc(O)cc1-c1ccsc1 34763407 572109465 /nfs/dbraw/zinc/10/94/65/572109465.db2.gz ITYZZGPLUKMXKZ-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN CC[C@@H](C)[N@H+](CC)CC(=O)C(C)(C)C 37336681 572111077 /nfs/dbraw/zinc/11/10/77/572111077.db2.gz WIBUOJKDWCKKBI-SNVBAGLBSA-N 0 0 199.338 2.722 10 0 AFAERN CC(C)/C=C/C(C)(C)[C@H](C)O 17551783 572109691 /nfs/dbraw/zinc/10/96/91/572109691.db2.gz NFIDJEAUUOJJOS-UCUJLANTSA-N 0 0 156.269 2.606 10 0 AFAERN CNc1cccc2ccc(OC)cc12 34770555 572109750 /nfs/dbraw/zinc/10/97/50/572109750.db2.gz POZXFKQAAJDVFN-UHFFFAOYSA-N 0 0 187.242 2.890 10 0 AFAERN CS[C@H]1CCCC[C@@H]1F 34773118 572109774 /nfs/dbraw/zinc/10/97/74/572109774.db2.gz PCLYWTBYNXWRCT-BQBZGAKWSA-N 0 0 148.246 2.630 10 0 AFAERN OC[C@@H]1CCCC=C1c1ccccc1 34743640 572109897 /nfs/dbraw/zinc/10/98/97/572109897.db2.gz WAWVQNZMEUHMJL-LBPRGKRZSA-N 0 0 188.270 2.862 10 0 AFAERN CC(C)CC[C@](C)(O)C(C)C 17546257 572109919 /nfs/dbraw/zinc/10/99/19/572109919.db2.gz BAZNZYUOJWCTIQ-JTQLQIEISA-N 0 0 158.285 2.830 10 0 AFAERN COc1ccc2c(c1)N[C@@H](C)[C@H]2C 71484456 572109937 /nfs/dbraw/zinc/10/99/37/572109937.db2.gz ZNACWNQDVDVHDP-SFYZADRCSA-N 0 0 177.247 2.613 10 0 AFAERN COc1cccc2c1N[C@@H](C)[C@@H]2C 71484507 572110002 /nfs/dbraw/zinc/11/00/02/572110002.db2.gz XYNQCTNKNPPGTG-YUMQZZPRSA-N 0 0 177.247 2.613 10 0 AFAERN CC(C)/C=C/C(C)(C)[C@@H](C)O 17551779 572110076 /nfs/dbraw/zinc/11/00/76/572110076.db2.gz NFIDJEAUUOJJOS-XCODYQFDSA-N 0 0 156.269 2.606 10 0 AFAERN CC(C)=CCC(C)(C)[C@@H](C)O 17558073 572110112 /nfs/dbraw/zinc/11/01/12/572110112.db2.gz KHXXCYVYHXAMQW-SECBINFHSA-N 0 0 156.269 2.750 10 0 AFAERN CCC(C)(C)[C@@H](CO)C(C)C 17558847 572110131 /nfs/dbraw/zinc/11/01/31/572110131.db2.gz DQMAJHOLNYJQPK-VIFPVBQESA-N 0 0 158.285 2.687 10 0 AFAERN CC(C)CC[C@@](C)(O)C(C)C 17546255 572110138 /nfs/dbraw/zinc/11/01/38/572110138.db2.gz BAZNZYUOJWCTIQ-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)=CCC(C)(C)[C@H](C)O 17558075 572110142 /nfs/dbraw/zinc/11/01/42/572110142.db2.gz KHXXCYVYHXAMQW-VIFPVBQESA-N 0 0 156.269 2.750 10 0 AFAERN CCC(CC)C1N=NC(=N)C[C@@H]1CC 82786823 572110202 /nfs/dbraw/zinc/11/02/02/572110202.db2.gz CLIJJEQUDTXXHD-VIFPVBQESA-N 0 0 195.310 2.566 10 0 AFAERN CCCC[C@@H](C)[C@H](NN)c1ccco1 300939832 572111087 /nfs/dbraw/zinc/11/10/87/572111087.db2.gz NQIVQULUDXSKTA-KOLCDFICSA-N 0 0 196.294 2.610 10 0 AFAERN CCCC[N@H+](CC)[C@@H]1CCCCC1=O 37331568 572110280 /nfs/dbraw/zinc/11/02/80/572110280.db2.gz JRWXMEFNGBRBHW-LLVKDONJSA-N 0 0 197.322 2.620 10 0 AFAERN CCCC[C@H](C)c1onc(N)c1C 300939872 572110356 /nfs/dbraw/zinc/11/03/56/572110356.db2.gz NQMGNBFNNFUTRK-ZETCQYMHSA-N 0 0 182.267 2.859 10 0 AFAERN C/C=C(\[C@@H](C)O)C(C)(C)CC 17605559 572110582 /nfs/dbraw/zinc/11/05/82/572110582.db2.gz RKOOCZDIVDRXEQ-GTUWVTDSSA-N 0 0 156.269 2.750 10 0 AFAERN CCCC[N@H+](CC)[C@H]1CCCCC1=O 37331570 572110593 /nfs/dbraw/zinc/11/05/93/572110593.db2.gz JRWXMEFNGBRBHW-NSHDSACASA-N 0 0 197.322 2.620 10 0 AFAERN CCC(CC)C1N=NC(=N)C[C@H]1CC 82786821 572110625 /nfs/dbraw/zinc/11/06/25/572110625.db2.gz CLIJJEQUDTXXHD-SECBINFHSA-N 0 0 195.310 2.566 10 0 AFAERN Cc1ccc2c(c1)-c1n[nH]c(C)c1CN2 71485336 572110759 /nfs/dbraw/zinc/11/07/59/572110759.db2.gz BOESZAXKXDBJQV-UHFFFAOYSA-N 0 0 199.257 2.619 10 0 AFAERN CCC(C)(C)/C=C/C[C@H](C)O 17632981 572111130 /nfs/dbraw/zinc/11/11/30/572111130.db2.gz FORCNMIVXJOHOH-ORZBULNSSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)C/C=C/C(C)(C)CO 17632919 572111343 /nfs/dbraw/zinc/11/13/43/572111343.db2.gz ZKICGUCRRFQCOO-FNORWQNLSA-N 0 0 156.269 2.607 10 0 AFAERN CC1=CCCC(C)(C)[C@@H]1CCO 34876378 572111849 /nfs/dbraw/zinc/11/18/49/572111849.db2.gz NJUGWDZDBIUHMX-SNVBAGLBSA-N 0 0 168.280 2.751 10 0 AFAERN CCCC[C@@H](C)[C@@H](NN)c1ccco1 300939836 572111828 /nfs/dbraw/zinc/11/18/28/572111828.db2.gz NQIVQULUDXSKTA-MWLCHTKSSA-N 0 0 196.294 2.610 10 0 AFAERN CCCSCCCCC(C)=O 37331138 572111832 /nfs/dbraw/zinc/11/18/32/572111832.db2.gz VUQSWNDNDNSICP-UHFFFAOYSA-N 0 0 174.309 2.889 10 0 AFAERN CCCC[C@@H](C)[C@H](C=C(C)C)NN 300939709 572111853 /nfs/dbraw/zinc/11/18/53/572111853.db2.gz NPTSRECTSWVTDY-MNOVXSKESA-N 0 0 184.327 2.611 10 0 AFAERN CC[C@@H](C)C[N@H+](C)CC(=O)C(C)(C)C 37337193 572111888 /nfs/dbraw/zinc/11/18/88/572111888.db2.gz SLUMETQLPBCJRN-SNVBAGLBSA-N 0 0 199.338 2.580 10 0 AFAERN CCCC[C@H](C)[C@@H](NN)c1ccco1 300939828 572111902 /nfs/dbraw/zinc/11/19/02/572111902.db2.gz NQIVQULUDXSKTA-GXSJLCMTSA-N 0 0 196.294 2.610 10 0 AFAERN CC(C)=C/C=C/C(C)(C)CO 17643363 572112111 /nfs/dbraw/zinc/11/21/11/572112111.db2.gz JJDPAAGYXCRKBK-FNORWQNLSA-N 0 0 154.253 2.527 10 0 AFAERN CCCC[C@H](C)[C@H](NN)c1ccco1 300939839 572112120 /nfs/dbraw/zinc/11/21/20/572112120.db2.gz NQIVQULUDXSKTA-ONGXEEELSA-N 0 0 196.294 2.610 10 0 AFAERN CCCCC[N@H+](C)[C@@H]1CCCCC1=O 37336792 572112212 /nfs/dbraw/zinc/11/22/12/572112212.db2.gz AAJGFLUOGRXXIM-LLVKDONJSA-N 0 0 197.322 2.620 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](O)C(F)F 300940114 572112235 /nfs/dbraw/zinc/11/22/35/572112235.db2.gz OQNULQNTJNOEOS-SFYZADRCSA-N 0 0 180.238 2.685 10 0 AFAERN CCC(C)(C)C(CO)=C(C)C 17613770 572112396 /nfs/dbraw/zinc/11/23/96/572112396.db2.gz CVWPSBNVFSMPDJ-UHFFFAOYSA-N 0 0 156.269 2.751 10 0 AFAERN CC[C@H](C)C[N@H+](C)CC(=O)C(C)(C)C 37337195 572112437 /nfs/dbraw/zinc/11/24/37/572112437.db2.gz SLUMETQLPBCJRN-JTQLQIEISA-N 0 0 199.338 2.580 10 0 AFAERN CC(=O)C[C@@H](C)OCC1CCCCC1 82793687 572112978 /nfs/dbraw/zinc/11/29/78/572112978.db2.gz OINXHWQKNHRWCK-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)C[C@@H](C)Oc1ccccc1C 82793096 572112981 /nfs/dbraw/zinc/11/29/81/572112981.db2.gz AZGBEOYOMACBKM-LLVKDONJSA-N 0 0 192.258 2.741 10 0 AFAERN CCCCC[N@H+](C)[C@H]1CCCCC1=O 37336794 572112552 /nfs/dbraw/zinc/11/25/52/572112552.db2.gz AAJGFLUOGRXXIM-NSHDSACASA-N 0 0 197.322 2.620 10 0 AFAERN C=C(C)/C=C/CC(C)(C)C=O 17629282 572112579 /nfs/dbraw/zinc/11/25/79/572112579.db2.gz UCINKWCIWGDJPA-AATRIKPKSA-N 0 0 152.237 2.734 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)Cc1ccco1 300939189 572112581 /nfs/dbraw/zinc/11/25/81/572112581.db2.gz OOQNXSXWSOANSR-PWSUYJOCSA-N 0 0 196.290 2.865 10 0 AFAERN CCCCC[N@H+](C)CC(=O)C(C)(C)C 37336896 572112629 /nfs/dbraw/zinc/11/26/29/572112629.db2.gz FJCBZNACWLLCJG-UHFFFAOYSA-N 0 0 199.338 2.724 10 0 AFAERN CC[N@@H+](CC(=O)C(C)(C)C)CC(C)C 37336384 572112775 /nfs/dbraw/zinc/11/27/75/572112775.db2.gz KHNZNABGULULNP-UHFFFAOYSA-N 0 0 199.338 2.580 10 0 AFAERN CCC(C)(C)/C=C/C[C@@H](C)O 17632974 572112851 /nfs/dbraw/zinc/11/28/51/572112851.db2.gz FORCNMIVXJOHOH-BNICOGTQSA-N 0 0 156.269 2.750 10 0 AFAERN CC(=O)C[C@H](C)Oc1ccccc1C 82793094 572113042 /nfs/dbraw/zinc/11/30/42/572113042.db2.gz AZGBEOYOMACBKM-NSHDSACASA-N 0 0 192.258 2.741 10 0 AFAERN CC(=O)C[C@H](C)O[C@@H]1CCC[C@@H](C)C1 82793178 572113046 /nfs/dbraw/zinc/11/30/46/572113046.db2.gz FWXUGFPSXOHMIQ-ADEWGFFLSA-N 0 0 198.306 2.949 10 0 AFAERN CC(=O)C[C@@H](C)SCC(C)C 82793864 572113051 /nfs/dbraw/zinc/11/30/51/572113051.db2.gz URDXNAQARDCUMJ-SECBINFHSA-N 0 0 174.309 2.743 10 0 AFAERN CC(=O)C[C@H](C)Oc1ccc(F)cc1 82793097 572113063 /nfs/dbraw/zinc/11/30/63/572113063.db2.gz VGJDNMJQBDFHOP-VIFPVBQESA-N 0 0 196.221 2.572 10 0 AFAERN CCC(C)(C)O[C@H](C)CC(C)=O 82793168 572113072 /nfs/dbraw/zinc/11/30/72/572113072.db2.gz KTHWWTOQTNUGQZ-SECBINFHSA-N 0 0 172.268 2.559 10 0 AFAERN CC[C@H](C)[N@H+](CC)CC(=O)C(C)(C)C 37336683 572113288 /nfs/dbraw/zinc/11/32/88/572113288.db2.gz WIBUOJKDWCKKBI-JTQLQIEISA-N 0 0 199.338 2.722 10 0 AFAERN CCCN(CC)c1nc(C)cs1 393339260 572113311 /nfs/dbraw/zinc/11/33/11/572113311.db2.gz SLGGURHIMMFBBK-UHFFFAOYSA-N 0 0 184.308 2.688 10 0 AFAERN CCCC[C@H](CC)COCC(C)=O 37349122 572116645 /nfs/dbraw/zinc/11/66/45/572116645.db2.gz FOTAKQAJSYLYPE-NSHDSACASA-N 0 0 186.295 2.808 10 0 AFAERN C[C@H]1C[C@H]1c1nc2ccc(N)cc2o1 34940029 572113617 /nfs/dbraw/zinc/11/36/17/572113617.db2.gz CXSSSICQHNILDM-POYBYMJQSA-N 0 0 188.230 2.533 10 0 AFAERN CC(=O)C[C@H](C)Oc1cccc(F)c1 82793109 572113729 /nfs/dbraw/zinc/11/37/29/572113729.db2.gz RRTDZRZIFKURBL-VIFPVBQESA-N 0 0 196.221 2.572 10 0 AFAERN CCOc1cc2ccccc2cc1O 34938379 572113760 /nfs/dbraw/zinc/11/37/60/572113760.db2.gz DTYZCYXQXGBZSS-UHFFFAOYSA-N 0 0 188.226 2.944 10 0 AFAERN CC(=O)C[C@H](C)O[C@H]1CCC[C@@H](C)C1 82793174 572113852 /nfs/dbraw/zinc/11/38/52/572113852.db2.gz FWXUGFPSXOHMIQ-USWWRNFRSA-N 0 0 198.306 2.949 10 0 AFAERN CCCCCO[C@H](C)CC(C)=O 82793195 572113862 /nfs/dbraw/zinc/11/38/62/572113862.db2.gz FKSGLOSCDSICDK-SNVBAGLBSA-N 0 0 172.268 2.561 10 0 AFAERN CCOCCCC(=O)c1cccs1 37329930 572113886 /nfs/dbraw/zinc/11/38/86/572113886.db2.gz IVOXXOPTDATMKU-UHFFFAOYSA-N 0 0 198.287 2.748 10 0 AFAERN CC(=O)CCCCOC(C)(C)C 37330461 572113919 /nfs/dbraw/zinc/11/39/19/572113919.db2.gz FWCXHGBKTZKEFB-UHFFFAOYSA-N 0 0 172.268 2.561 10 0 AFAERN CC(=O)C[C@@H](C)OCCCC(C)C 82793164 572113922 /nfs/dbraw/zinc/11/39/22/572113922.db2.gz MGJMCWFDZBHIHI-LLVKDONJSA-N 0 0 186.295 2.807 10 0 AFAERN C[C@@H]1C[C@@H]1c1nc2ccc(N)cc2o1 34940026 572113959 /nfs/dbraw/zinc/11/39/59/572113959.db2.gz CXSSSICQHNILDM-SVRRBLITSA-N 0 0 188.230 2.533 10 0 AFAERN CC[C@@H](C)S[C@H](C)CC(C)=O 82793989 572113974 /nfs/dbraw/zinc/11/39/74/572113974.db2.gz URQLVRAWFSIUAV-RKDXNWHRSA-N 0 0 174.309 2.886 10 0 AFAERN Cc1nc2ccccc2n1CC1CC1 43255810 572113984 /nfs/dbraw/zinc/11/39/84/572113984.db2.gz GLCPGTROUQPLHL-UHFFFAOYSA-N 0 0 186.258 2.755 10 0 AFAERN CCCCCCO[C@H](C)CC(C)=O 82793172 572114014 /nfs/dbraw/zinc/11/40/14/572114014.db2.gz OXMJTMUIMQOCGD-LLVKDONJSA-N 0 0 186.295 2.951 10 0 AFAERN CCC(C)(C)[C@H](O)CC(C)C 17699517 572114020 /nfs/dbraw/zinc/11/40/20/572114020.db2.gz LTDMOZOPTDNTLG-SECBINFHSA-N 0 0 158.285 2.830 10 0 AFAERN CC(=O)CCCOCCCC(C)C 37330540 572114065 /nfs/dbraw/zinc/11/40/65/572114065.db2.gz OGIYSVSEVGEGQD-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC(=O)CCCO[C@H](C)CC(C)C 37329741 572114098 /nfs/dbraw/zinc/11/40/98/572114098.db2.gz LHFMRTOSNFFBDN-LLVKDONJSA-N 0 0 186.295 2.807 10 0 AFAERN CC(=O)C[C@H](C)O[C@@H]1CCC[C@H](C)C1 82793180 572114144 /nfs/dbraw/zinc/11/41/44/572114144.db2.gz FWXUGFPSXOHMIQ-ZMLRMANQSA-N 0 0 198.306 2.949 10 0 AFAERN CCC(C)(C)OCC(=O)C(C)(C)C 37349663 572114152 /nfs/dbraw/zinc/11/41/52/572114152.db2.gz FKUIEXHSTMJXPM-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN CC(=O)C[C@H](C)OCCCC(C)C 82793162 572114278 /nfs/dbraw/zinc/11/42/78/572114278.db2.gz MGJMCWFDZBHIHI-NSHDSACASA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)(C)OCC(=O)c1ccccc1 37348811 572114299 /nfs/dbraw/zinc/11/42/99/572114299.db2.gz HIHJTZAALRMLGA-UHFFFAOYSA-N 0 0 192.258 2.684 10 0 AFAERN CCCCCO[C@@H](C)CC(C)=O 82793194 572114376 /nfs/dbraw/zinc/11/43/76/572114376.db2.gz FKSGLOSCDSICDK-JTQLQIEISA-N 0 0 172.268 2.561 10 0 AFAERN CC(=O)C[C@H](C)O[C@H]1CCC[C@H](C)C1 82793176 572114401 /nfs/dbraw/zinc/11/44/01/572114401.db2.gz FWXUGFPSXOHMIQ-DLOVCJGASA-N 0 0 198.306 2.949 10 0 AFAERN CCCOCC(=O)c1ccccc1C 37351066 572114737 /nfs/dbraw/zinc/11/47/37/572114737.db2.gz DBOVIAIPVZQOBT-UHFFFAOYSA-N 0 0 192.258 2.604 10 0 AFAERN CC(=O)C[C@@H](C)Oc1ccc(F)cc1 82793099 572114441 /nfs/dbraw/zinc/11/44/41/572114441.db2.gz VGJDNMJQBDFHOP-SECBINFHSA-N 0 0 196.221 2.572 10 0 AFAERN CC(=O)C[C@H](C)n1ccnc1C(C)C 82792844 572114483 /nfs/dbraw/zinc/11/44/83/572114483.db2.gz VJSMQGVAWICMAX-VIFPVBQESA-N 0 0 194.278 2.547 10 0 AFAERN CC(=O)C[C@@H](C)n1ccnc1C(C)C 82792847 572114493 /nfs/dbraw/zinc/11/44/93/572114493.db2.gz VJSMQGVAWICMAX-SECBINFHSA-N 0 0 194.278 2.547 10 0 AFAERN CC(=O)C[C@@H](C)Oc1cccc(C)c1 82793093 572114510 /nfs/dbraw/zinc/11/45/10/572114510.db2.gz AVGZHFDLFYLPLT-LLVKDONJSA-N 0 0 192.258 2.741 10 0 AFAERN CC(=O)C[C@H](C)SCC(C)C 82793862 572114512 /nfs/dbraw/zinc/11/45/12/572114512.db2.gz URDXNAQARDCUMJ-VIFPVBQESA-N 0 0 174.309 2.743 10 0 AFAERN CC[C@H](C)S[C@H](C)CC(C)=O 82793991 572114602 /nfs/dbraw/zinc/11/46/02/572114602.db2.gz URQLVRAWFSIUAV-DTWKUNHWSA-N 0 0 174.309 2.886 10 0 AFAERN CC(=O)C[C@H](C)Oc1cccc(C)c1 82793092 572114618 /nfs/dbraw/zinc/11/46/18/572114618.db2.gz AVGZHFDLFYLPLT-NSHDSACASA-N 0 0 192.258 2.741 10 0 AFAERN CCC(C)(C)OCC(=O)c1ccco1 37349551 572114641 /nfs/dbraw/zinc/11/46/41/572114641.db2.gz RRPUQKOUMYWMAD-UHFFFAOYSA-N 0 0 196.246 2.668 10 0 AFAERN CC(=O)C[C@H](C)Sc1ccccn1 82794151 572114651 /nfs/dbraw/zinc/11/46/51/572114651.db2.gz GAPMVENWHNYDAS-VIFPVBQESA-N 0 0 195.287 2.541 10 0 AFAERN Cc1ccccc1C(=O)COC(C)C 37344570 572114659 /nfs/dbraw/zinc/11/46/59/572114659.db2.gz AWTDFSGNUJQQPC-UHFFFAOYSA-N 0 0 192.258 2.603 10 0 AFAERN Cc1cccc(C(=O)COC(C)C)c1 37344578 572114667 /nfs/dbraw/zinc/11/46/67/572114667.db2.gz LMHCTMYOFRIDRZ-UHFFFAOYSA-N 0 0 192.258 2.603 10 0 AFAERN CC(=O)C[C@@H](C)Sc1ccccn1 82794153 572114672 /nfs/dbraw/zinc/11/46/72/572114672.db2.gz GAPMVENWHNYDAS-SECBINFHSA-N 0 0 195.287 2.541 10 0 AFAERN CCCCCCO[C@@H](C)CC(C)=O 82793170 572114797 /nfs/dbraw/zinc/11/47/97/572114797.db2.gz OXMJTMUIMQOCGD-NSHDSACASA-N 0 0 186.295 2.951 10 0 AFAERN CCC(C)(C)O[C@@H](C)CC(C)=O 82793166 572114800 /nfs/dbraw/zinc/11/48/00/572114800.db2.gz KTHWWTOQTNUGQZ-VIFPVBQESA-N 0 0 172.268 2.559 10 0 AFAERN CC(=O)CCCO[C@@H](C)CC(C)C 37329743 572114879 /nfs/dbraw/zinc/11/48/79/572114879.db2.gz LHFMRTOSNFFBDN-NSHDSACASA-N 0 0 186.295 2.807 10 0 AFAERN CCC(C)(C)OCCCCC(C)=O 37330562 572114916 /nfs/dbraw/zinc/11/49/16/572114916.db2.gz YEODIMFKFLKVCB-UHFFFAOYSA-N 0 0 186.295 2.951 10 0 AFAERN CC[C@@H](O)C(C)(CC)CC 80629702 572114969 /nfs/dbraw/zinc/11/49/69/572114969.db2.gz BSJRVRAHCFVDLW-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN CC[C@H]1CCCC[C@@H]1OCC(C)=O 37342422 572115048 /nfs/dbraw/zinc/11/50/48/572115048.db2.gz ZAAKXXLJJQGRFA-QWRGUYRKSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCS[C@@H](C)CC(C)=O 82793857 572115183 /nfs/dbraw/zinc/11/51/83/572115183.db2.gz CTXGGXGHEZVGMA-VIFPVBQESA-N 0 0 174.309 2.887 10 0 AFAERN CC(=O)C[C@@H](C)Oc1ccccc1F 82793077 572115230 /nfs/dbraw/zinc/11/52/30/572115230.db2.gz LPTAKSGHDFOFDI-SECBINFHSA-N 0 0 196.221 2.572 10 0 AFAERN Cc1ccc(C(=O)COC(C)C)cc1 37344623 572115232 /nfs/dbraw/zinc/11/52/32/572115232.db2.gz VHKUVXPRKFDNMZ-UHFFFAOYSA-N 0 0 192.258 2.603 10 0 AFAERN CCC(C)(C)[C@@H](O)CC(C)C 17699515 572115256 /nfs/dbraw/zinc/11/52/56/572115256.db2.gz LTDMOZOPTDNTLG-VIFPVBQESA-N 0 0 158.285 2.830 10 0 AFAERN CCCCCOCC(=O)c1ccco1 37351467 572115296 /nfs/dbraw/zinc/11/52/96/572115296.db2.gz KBRRMRQNEMTJRL-UHFFFAOYSA-N 0 0 196.246 2.669 10 0 AFAERN CC(=O)C[C@H](C)Oc1ccccc1F 82793075 572115298 /nfs/dbraw/zinc/11/52/98/572115298.db2.gz LPTAKSGHDFOFDI-VIFPVBQESA-N 0 0 196.221 2.572 10 0 AFAERN CCCCCOCC(=O)C(C)(C)C 37351571 572115300 /nfs/dbraw/zinc/11/53/00/572115300.db2.gz NCSMPSOMOPTDCR-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCCO[C@@H](C)C(=O)c1ccccc1 37351187 572115335 /nfs/dbraw/zinc/11/53/35/572115335.db2.gz JLEYYYBNVCSAHO-JTQLQIEISA-N 0 0 192.258 2.684 10 0 AFAERN CC[C@H](C)S[C@@H](C)CC(C)=O 82793987 572115376 /nfs/dbraw/zinc/11/53/76/572115376.db2.gz URQLVRAWFSIUAV-IUCAKERBSA-N 0 0 174.309 2.886 10 0 AFAERN CC(C)COCC(=O)c1cccs1 37344405 572115378 /nfs/dbraw/zinc/11/53/78/572115378.db2.gz PRCZKWSUHJUFMH-UHFFFAOYSA-N 0 0 198.287 2.603 10 0 AFAERN CC[C@@H](C)S[C@@H](C)CC(C)=O 82793986 572115419 /nfs/dbraw/zinc/11/54/19/572115419.db2.gz URQLVRAWFSIUAV-BDAKNGLRSA-N 0 0 174.309 2.886 10 0 AFAERN CCC[C@H](C)[C@@H](C)[C@H](O)CC 300345531 572125434 /nfs/dbraw/zinc/12/54/34/572125434.db2.gz GOZUCFBQMUZOIE-IVZWLZJFSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1OCC(C)=O 37342421 572115535 /nfs/dbraw/zinc/11/55/35/572115535.db2.gz ZAAKXXLJJQGRFA-MNOVXSKESA-N 0 0 184.279 2.561 10 0 AFAERN CCC(C)(C)OCCCC(C)=O 37330564 572115613 /nfs/dbraw/zinc/11/56/13/572115613.db2.gz YDWIUZBQQIEALJ-UHFFFAOYSA-N 0 0 172.268 2.561 10 0 AFAERN Cc1ccc(C(=O)COC(C)C)s1 37344604 572115661 /nfs/dbraw/zinc/11/56/61/572115661.db2.gz ANODKVNDOGKVBZ-UHFFFAOYSA-N 0 0 198.287 2.664 10 0 AFAERN CC(=O)CCCO[C@@H]1CCC[C@@H](C)C1 37330695 572115710 /nfs/dbraw/zinc/11/57/10/572115710.db2.gz LLWYNDLGZQRXJL-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H]1CCCC[C@H]1OCC(C)=O 37342424 572115686 /nfs/dbraw/zinc/11/56/86/572115686.db2.gz ZAAKXXLJJQGRFA-WDEREUQCSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)CCCO[C@H]1CCCC[C@H]1C 37329502 572115703 /nfs/dbraw/zinc/11/57/03/572115703.db2.gz WXWDLODVUGNTLI-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CCC/C=C\Br 80674047 572115774 /nfs/dbraw/zinc/11/57/74/572115774.db2.gz WSXIDSNEEOYBFA-PLNGDYQASA-N 0 0 149.031 2.695 10 0 AFAERN CCCCCCO[C@@H](C)C(C)=O 37349846 572116132 /nfs/dbraw/zinc/11/61/32/572116132.db2.gz HVYZVOCTXBYLAN-JTQLQIEISA-N 0 0 172.268 2.561 10 0 AFAERN CC(C)CCOCC(=O)c1ccco1 37343953 572115842 /nfs/dbraw/zinc/11/58/42/572115842.db2.gz MSHDBVMUKVWYHE-UHFFFAOYSA-N 0 0 196.246 2.525 10 0 AFAERN CCCOCC(=O)c1cccc(C)c1 37351074 572115850 /nfs/dbraw/zinc/11/58/50/572115850.db2.gz RENQYIGLAABFNW-UHFFFAOYSA-N 0 0 192.258 2.604 10 0 AFAERN CC(=O)CCCCOCCC(C)C 37329534 572115901 /nfs/dbraw/zinc/11/59/01/572115901.db2.gz DKCQJCCECQHGHC-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCCCNc1ccc2cn[nH]c2c1 35023058 572116225 /nfs/dbraw/zinc/11/62/25/572116225.db2.gz HKYDDBOOWVZKIU-UHFFFAOYSA-N 0 0 189.262 2.775 10 0 AFAERN CCCCCCO[C@H](C)C(C)=O 37349848 572115968 /nfs/dbraw/zinc/11/59/68/572115968.db2.gz HVYZVOCTXBYLAN-SNVBAGLBSA-N 0 0 172.268 2.561 10 0 AFAERN CC[C@@H]1CCCC[C@H]1OCC(C)=O 37342423 572116064 /nfs/dbraw/zinc/11/60/64/572116064.db2.gz ZAAKXXLJJQGRFA-GHMZBOCLSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCOCC(=O)c1cccs1 37351278 572116072 /nfs/dbraw/zinc/11/60/72/572116072.db2.gz IKIIDZZBPASCPV-UHFFFAOYSA-N 0 0 198.287 2.748 10 0 AFAERN CC(=O)CCCOC1CCCCC1 37329860 572116088 /nfs/dbraw/zinc/11/60/88/572116088.db2.gz WXEZGGOJRMTPLR-UHFFFAOYSA-N 0 0 184.279 2.705 10 0 AFAERN CC(=O)CCCO[C@H]1CCC[C@@H](C)C1 37330691 572116108 /nfs/dbraw/zinc/11/61/08/572116108.db2.gz LLWYNDLGZQRXJL-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)Oc1c[nH]c(C(F)(F)F)c1 35035114 572116141 /nfs/dbraw/zinc/11/61/41/572116141.db2.gz RYGIHFUWCQYLCF-UHFFFAOYSA-N 0 0 193.168 2.821 10 0 AFAERN CCCCOCCCCC(C)=O 37330814 572116235 /nfs/dbraw/zinc/11/62/35/572116235.db2.gz RTWZSHJGCKNNGN-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN CC(C)CCOCC(=O)C(C)(C)C 37344064 572116267 /nfs/dbraw/zinc/11/62/67/572116267.db2.gz KPCADQARDLTURH-UHFFFAOYSA-N 0 0 186.295 2.664 10 0 AFAERN CCCO[C@H](C)C(=O)c1ccccc1 37351189 572116283 /nfs/dbraw/zinc/11/62/83/572116283.db2.gz JLEYYYBNVCSAHO-SNVBAGLBSA-N 0 0 192.258 2.684 10 0 AFAERN CC(=O)CCCO[C@@H]1CCC[C@H](C)C1 37330697 572116305 /nfs/dbraw/zinc/11/63/05/572116305.db2.gz LLWYNDLGZQRXJL-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)COCC(=O)c1ccccc1 37344451 572116347 /nfs/dbraw/zinc/11/63/47/572116347.db2.gz MOZVZRYSSAGVGS-UHFFFAOYSA-N 0 0 192.258 2.542 10 0 AFAERN Cc1ccc(O)c(OCC(C)C)c1 35051308 572116364 /nfs/dbraw/zinc/11/63/64/572116364.db2.gz CFOMYMWWOLTCGS-UHFFFAOYSA-N 0 0 180.247 2.735 10 0 AFAERN CCCCCOCCCCC(C)=O 37330836 572116496 /nfs/dbraw/zinc/11/64/96/572116496.db2.gz ADSKZQVVNCDAFE-UHFFFAOYSA-N 0 0 186.295 2.953 10 0 AFAERN CCCCSCCCC(C)=O 37330882 572116572 /nfs/dbraw/zinc/11/65/72/572116572.db2.gz ROXLQBOWJJQHKA-UHFFFAOYSA-N 0 0 174.309 2.889 10 0 AFAERN CCCCCCOCCCC(C)=O 37330589 572116661 /nfs/dbraw/zinc/11/66/61/572116661.db2.gz SCFHNSRUGFTOSU-UHFFFAOYSA-N 0 0 186.295 2.953 10 0 AFAERN CCCC[C@@H](CC)COCC(C)=O 37349120 572116665 /nfs/dbraw/zinc/11/66/65/572116665.db2.gz FOTAKQAJSYLYPE-LLVKDONJSA-N 0 0 186.295 2.808 10 0 AFAERN CCCOCC(=O)c1ccc(C)cc1 37351127 572116825 /nfs/dbraw/zinc/11/68/25/572116825.db2.gz IFKHBWDVJNVZGE-UHFFFAOYSA-N 0 0 192.258 2.604 10 0 AFAERN CC(C)(C)OCC(=O)c1cccs1 37348767 572116832 /nfs/dbraw/zinc/11/68/32/572116832.db2.gz MNPJCXJASOKSIM-UHFFFAOYSA-N 0 0 198.287 2.746 10 0 AFAERN CC(=O)CCCOC1CCC(C)CC1 37329574 572116835 /nfs/dbraw/zinc/11/68/35/572116835.db2.gz YRGIHYUPQRXKPC-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)CCCO[C@@H]1CCCC[C@@H]1C 37329508 572116845 /nfs/dbraw/zinc/11/68/45/572116845.db2.gz WXWDLODVUGNTLI-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)CCCCOC1CCCC1 37329880 572116938 /nfs/dbraw/zinc/11/69/38/572116938.db2.gz OGOBGRHBWGVVMP-UHFFFAOYSA-N 0 0 184.279 2.705 10 0 AFAERN Cc1ccc(OCC(C)C)c(O)c1 35051309 572117155 /nfs/dbraw/zinc/11/71/55/572117155.db2.gz HSQFTJXOLOSDQG-UHFFFAOYSA-N 0 0 180.247 2.735 10 0 AFAERN CCO[C@H](C)C(=O)c1ccc(C)cc1 37346873 572117331 /nfs/dbraw/zinc/11/73/31/572117331.db2.gz LRQZDZGRCNRJSH-SNVBAGLBSA-N 0 0 192.258 2.603 10 0 AFAERN CC=Cc1ccccc1NC(=O)OC 35035162 572117334 /nfs/dbraw/zinc/11/73/34/572117334.db2.gz YAAOWNWTIYQSPJ-ZZXKWVIFSA-N 0 0 191.230 2.898 10 0 AFAERN CCOCC(=O)c1ccc(C)cc1C 37346831 572117371 /nfs/dbraw/zinc/11/73/71/572117371.db2.gz JNIPJSRWNVPGGQ-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN CCOCC(=O)c1ccc(CC)s1 37346768 572117380 /nfs/dbraw/zinc/11/73/80/572117380.db2.gz NYVLLSZZZUKJAE-UHFFFAOYSA-N 0 0 198.287 2.530 10 0 AFAERN CCO[C@H](CC)C(=O)c1ccccc1 37346827 572117383 /nfs/dbraw/zinc/11/73/83/572117383.db2.gz YXQLVIQVKUAZPE-LLVKDONJSA-N 0 0 192.258 2.684 10 0 AFAERN CCOCC(=O)c1ccccc1Cl 37346903 572117387 /nfs/dbraw/zinc/11/73/87/572117387.db2.gz JUZDAFVAVSALEV-UHFFFAOYSA-N 0 0 198.649 2.559 10 0 AFAERN CCC[C@@](O)(C=C(C)C)CC 17807371 572117439 /nfs/dbraw/zinc/11/74/39/572117439.db2.gz QCUFISBOSUDTAJ-SNVBAGLBSA-N 0 0 156.269 2.894 10 0 AFAERN CC(C)ONC[C@@H]1CCC[C@@H](C)C1 393340230 572119430 /nfs/dbraw/zinc/11/94/30/572119430.db2.gz WOJUYHNGZXTMAB-GHMZBOCLSA-N 0 0 185.311 2.742 10 0 AFAERN CCO[C@@H](CC)C(=O)c1ccccc1 37346825 572117468 /nfs/dbraw/zinc/11/74/68/572117468.db2.gz YXQLVIQVKUAZPE-NSHDSACASA-N 0 0 192.258 2.684 10 0 AFAERN CCOCC(=O)c1ccc(Cl)cc1 37346814 572117557 /nfs/dbraw/zinc/11/75/57/572117557.db2.gz TVMNFMZHLMNCPF-UHFFFAOYSA-N 0 0 198.649 2.559 10 0 AFAERN CC(C)(C)C(=O)COC1CCCC1 37346380 572117614 /nfs/dbraw/zinc/11/76/14/572117614.db2.gz VSYHDZSTASUWOM-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CCC[C@](O)(C=C(C)C)CC 17807367 572117747 /nfs/dbraw/zinc/11/77/47/572117747.db2.gz QCUFISBOSUDTAJ-JTQLQIEISA-N 0 0 156.269 2.894 10 0 AFAERN CCOCC(=O)c1ccc(C)c(C)c1 37346806 572117764 /nfs/dbraw/zinc/11/77/64/572117764.db2.gz UXCNEFAGTCFSIV-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN CCOCC(=O)c1cc(C)sc1C 37346772 572117842 /nfs/dbraw/zinc/11/78/42/572117842.db2.gz LUPOSZDNRKSBQA-UHFFFAOYSA-N 0 0 198.287 2.584 10 0 AFAERN CCOCC(=O)c1cccc(Cl)c1 37346790 572117874 /nfs/dbraw/zinc/11/78/74/572117874.db2.gz HIKPZEQOWQIXCX-UHFFFAOYSA-N 0 0 198.649 2.559 10 0 AFAERN CCO[C@@H](C)C(=O)c1ccc(C)cc1 37346871 572117886 /nfs/dbraw/zinc/11/78/86/572117886.db2.gz LRQZDZGRCNRJSH-JTQLQIEISA-N 0 0 192.258 2.603 10 0 AFAERN CC(C)(C)C(=O)COC1CCCCC1 37346252 572117889 /nfs/dbraw/zinc/11/78/89/572117889.db2.gz WFUVQCCRKVHLIY-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CCOCC(=O)c1cc(C)ccc1C 37346742 572117893 /nfs/dbraw/zinc/11/78/93/572117893.db2.gz BDTGGOWBVRLRRM-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN COC(C)(C)[C@@H](O)C[C@@H]1CC=CCC1 402295982 572118165 /nfs/dbraw/zinc/11/81/65/572118165.db2.gz ZJUIJELJHLIVON-MNOVXSKESA-N 0 0 198.306 2.519 10 0 AFAERN Cc1cc2cc(O)ccc2nc1C 35066602 572118168 /nfs/dbraw/zinc/11/81/68/572118168.db2.gz XKGAZQXBNKFBFS-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN COC(C)(C)[C@H](O)C[C@@H]1CC=CCC1 402295981 572118260 /nfs/dbraw/zinc/11/82/60/572118260.db2.gz ZJUIJELJHLIVON-GHMZBOCLSA-N 0 0 198.306 2.519 10 0 AFAERN CCC[C@H]1CCC[C@@H](C(F)(F)F)N1 35029303 572118727 /nfs/dbraw/zinc/11/87/27/572118727.db2.gz OGWMRNNPKOELFI-YUMQZZPRSA-N 0 0 195.228 2.860 10 0 AFAERN CC[C@H](F)CS[C@H]1CCCOC1 393340393 572120749 /nfs/dbraw/zinc/12/07/49/572120749.db2.gz ZGRCZXATNAZKOF-IUCAKERBSA-N 0 0 192.299 2.647 10 0 AFAERN CNc1ccccc1C1CC1 17938970 572120754 /nfs/dbraw/zinc/12/07/54/572120754.db2.gz NRVVRMYGEFKYEJ-UHFFFAOYSA-N 0 0 147.221 2.606 10 0 AFAERN CCCCN(C)c1cccc(F)c1N 37419074 572119244 /nfs/dbraw/zinc/11/92/44/572119244.db2.gz NHGOKRYYGZZZAS-UHFFFAOYSA-N 0 0 196.269 2.644 10 0 AFAERN CCCN(CC)c1cccc(F)c1N 37419555 572119492 /nfs/dbraw/zinc/11/94/92/572119492.db2.gz YIPXSZJRNSUINI-UHFFFAOYSA-N 0 0 196.269 2.644 10 0 AFAERN CO[C@H]1C[C@H](C)Nc2ccc(F)cc21 71481336 572119598 /nfs/dbraw/zinc/11/95/98/572119598.db2.gz BBJKVTRZJRBGFH-CPCISQLKSA-N 0 0 195.237 2.717 10 0 AFAERN CC/C(C)=C\C[C@H](C)CCO 80907510 572119649 /nfs/dbraw/zinc/11/96/49/572119649.db2.gz OLWIYOMJFNQBOM-BSKOKIOFSA-N 0 0 156.269 2.751 10 0 AFAERN CC(=O)C[C@@H](C)C(=O)C1CCCCC1 82804766 572119750 /nfs/dbraw/zinc/11/97/50/572119750.db2.gz APVGKZUTJFZVMC-SECBINFHSA-N 0 0 196.290 2.751 10 0 AFAERN CCCNC(=O)C[C@H](C)C(C)(C)C 69626691 572119788 /nfs/dbraw/zinc/11/97/88/572119788.db2.gz KCRHNIQYTNQAPU-VIFPVBQESA-N 0 0 185.311 2.585 10 0 AFAERN Cc1ccc(OCOCC2CC2)cc1 235872782 572119844 /nfs/dbraw/zinc/11/98/44/572119844.db2.gz NEYPKOKSDCOMQF-UHFFFAOYSA-N 0 0 192.258 2.758 10 0 AFAERN CO[C@@H]1C[C@H](C)Nc2ccc(F)cc21 71481338 572119881 /nfs/dbraw/zinc/11/98/81/572119881.db2.gz BBJKVTRZJRBGFH-WRWORJQWSA-N 0 0 195.237 2.717 10 0 AFAERN CC(C)ONC[C@H]1CCC[C@H](C)C1 393340233 572119996 /nfs/dbraw/zinc/11/99/96/572119996.db2.gz WOJUYHNGZXTMAB-QWRGUYRKSA-N 0 0 185.311 2.742 10 0 AFAERN CC(C)(C)N1CCCC(F)(F)C1 114380986 572120016 /nfs/dbraw/zinc/12/00/16/572120016.db2.gz FYEFDPOBMUXUCN-UHFFFAOYSA-N 0 0 177.238 2.516 10 0 AFAERN C=Cc1ccncc1C1CC1 17940000 572120061 /nfs/dbraw/zinc/12/00/61/572120061.db2.gz MSAXOUFIBDAUMO-UHFFFAOYSA-N 0 0 145.205 2.602 10 0 AFAERN CO[C@H]1C[C@@H](C)Nc2cc(C)ccc21 71481219 572120114 /nfs/dbraw/zinc/12/01/14/572120114.db2.gz TWHJVOJUFBMPQP-SKDRFNHKSA-N 0 0 191.274 2.887 10 0 AFAERN CC[C@@H](F)CS[C@H]1CCCOC1 393340391 572120198 /nfs/dbraw/zinc/12/01/98/572120198.db2.gz ZGRCZXATNAZKOF-BDAKNGLRSA-N 0 0 192.299 2.647 10 0 AFAERN CO[C@@H]1C[C@@H](C)Nc2cc(C)ccc21 71481221 572120208 /nfs/dbraw/zinc/12/02/08/572120208.db2.gz TWHJVOJUFBMPQP-BXKDBHETSA-N 0 0 191.274 2.887 10 0 AFAERN CC[C@H](C)CS[C@H]1CCC[C@H]1O 300337742 572120224 /nfs/dbraw/zinc/12/02/24/572120224.db2.gz OPAURGUXKNQUFW-AEJSXWLSSA-N 0 0 188.336 2.679 10 0 AFAERN CC(=O)[C@]1(C)CCCC[C@@H]1C 196189567 572120298 /nfs/dbraw/zinc/12/02/98/572120298.db2.gz HYKXDAINNKOBKZ-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN CSC1=NC=COc2ccccc21 196191377 572120300 /nfs/dbraw/zinc/12/03/00/572120300.db2.gz HRFHGSDVYZOELC-UHFFFAOYSA-N 0 0 191.255 2.660 10 0 AFAERN Cc1cc2cscc2ccc1=O 196198214 572120426 /nfs/dbraw/zinc/12/04/26/572120426.db2.gz WUJSSJMQWXOHDL-UHFFFAOYSA-N 0 0 176.240 2.570 10 0 AFAERN Cc1cc(-c2ccccc2F)n(C)n1 114378919 572120486 /nfs/dbraw/zinc/12/04/86/572120486.db2.gz FMMNYHZCBVJMDE-UHFFFAOYSA-N 0 0 190.221 2.535 10 0 AFAERN CC[C@H](F)CS[C@@H]1CCCOC1 393340392 572120506 /nfs/dbraw/zinc/12/05/06/572120506.db2.gz ZGRCZXATNAZKOF-DTWKUNHWSA-N 0 0 192.299 2.647 10 0 AFAERN CC(=O)[C@@]1(C)CCCC[C@H]1C 196189576 572120675 /nfs/dbraw/zinc/12/06/75/572120675.db2.gz HYKXDAINNKOBKZ-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN C=Cc1ncccc1C1CC1 17940010 572121057 /nfs/dbraw/zinc/12/10/57/572121057.db2.gz LGGSJRIRYQIOPR-UHFFFAOYSA-N 0 0 145.205 2.602 10 0 AFAERN C[C@@H]1C[C@@H](O)c2ccc(Cl)cc2N1 71481225 572121075 /nfs/dbraw/zinc/12/10/75/572121075.db2.gz ZQXLVENZXTXNIX-LHLIQPBNSA-N 0 0 197.665 2.578 10 0 AFAERN CC[C@@H](F)CS[C@@H]1CCCOC1 393340394 572121100 /nfs/dbraw/zinc/12/11/00/572121100.db2.gz ZGRCZXATNAZKOF-RKDXNWHRSA-N 0 0 192.299 2.647 10 0 AFAERN CC(=O)C[C@H](C)C(=O)C1CCCCC1 82804765 572121119 /nfs/dbraw/zinc/12/11/19/572121119.db2.gz APVGKZUTJFZVMC-VIFPVBQESA-N 0 0 196.290 2.751 10 0 AFAERN CC(C)ONC[C@@H]1CCC[C@H](C)C1 393340234 572121140 /nfs/dbraw/zinc/12/11/40/572121140.db2.gz WOJUYHNGZXTMAB-WDEREUQCSA-N 0 0 185.311 2.742 10 0 AFAERN CO[C@H]1C[C@H](C)Nc2cc(C)ccc21 71481220 572121176 /nfs/dbraw/zinc/12/11/76/572121176.db2.gz TWHJVOJUFBMPQP-CABZTGNLSA-N 0 0 191.274 2.887 10 0 AFAERN CC/C(C)=C\C[C@@H](C)CCO 80907499 572121246 /nfs/dbraw/zinc/12/12/46/572121246.db2.gz OLWIYOMJFNQBOM-HYHWUIIZSA-N 0 0 156.269 2.751 10 0 AFAERN CC(=O)[C@@]1(C)CCCC[C@@H]1C 196189581 572121293 /nfs/dbraw/zinc/12/12/93/572121293.db2.gz HYKXDAINNKOBKZ-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)ONC[C@H]1CCC[C@@H](C)C1 393340232 572121329 /nfs/dbraw/zinc/12/13/29/572121329.db2.gz WOJUYHNGZXTMAB-MNOVXSKESA-N 0 0 185.311 2.742 10 0 AFAERN C[C@@H]1C[C@H](O)c2ccc(Cl)cc2N1 71481223 572121617 /nfs/dbraw/zinc/12/16/17/572121617.db2.gz ZQXLVENZXTXNIX-LDWIPMOCSA-N 0 0 197.665 2.578 10 0 AFAERN CC1(C)C(CCO)=C1[Si](C)(C)C 196197992 572121700 /nfs/dbraw/zinc/12/17/00/572121700.db2.gz JEPDCZXFEVRDDM-UHFFFAOYSA-N 0 0 184.355 2.583 10 0 AFAERN CO[C@@H]1C[C@H](C)Nc2cc(C)ccc21 71481222 572121762 /nfs/dbraw/zinc/12/17/62/572121762.db2.gz TWHJVOJUFBMPQP-JOYOIKCWSA-N 0 0 191.274 2.887 10 0 AFAERN CO[C@H]1C[C@@H](C)Nc2ccc(F)cc21 71481335 572121810 /nfs/dbraw/zinc/12/18/10/572121810.db2.gz BBJKVTRZJRBGFH-HQJQHLMTSA-N 0 0 195.237 2.717 10 0 AFAERN C[C@H]1C[C@H](O)c2ccc(Cl)cc2N1 71481224 572122089 /nfs/dbraw/zinc/12/20/89/572122089.db2.gz ZQXLVENZXTXNIX-WKEGUHRASA-N 0 0 197.665 2.578 10 0 AFAERN CCC(CC)n1cccc1 35120221 572122131 /nfs/dbraw/zinc/12/21/31/572122131.db2.gz WSCBZTZPKZITDT-UHFFFAOYSA-N 0 0 137.226 2.849 10 0 AFAERN CC(C)C[C@H](C)C[C@@H](NN)C(C)C 300949894 572122168 /nfs/dbraw/zinc/12/21/68/572122168.db2.gz PPDSDPMTDMAFEQ-WDEREUQCSA-N 0 0 186.343 2.547 10 0 AFAERN CCC[C@H](C)C[C@H](NN)[C@H]1CC1(C)C 300333395 572122238 /nfs/dbraw/zinc/12/22/38/572122238.db2.gz LWCBFWORNDULPR-AXFHLTTASA-N 0 0 198.354 2.691 10 0 AFAERN Cc1cccc(C[C@@H](C)C[C@H](C)O)c1 82811455 572125444 /nfs/dbraw/zinc/12/54/44/572125444.db2.gz IHXFMQGPZQLKFI-RYUDHWBXSA-N 0 0 192.302 2.945 10 0 AFAERN CC(C)(C)CC[C@H](O)c1ccc[nH]1 300949114 572122384 /nfs/dbraw/zinc/12/23/84/572122384.db2.gz WZAUNMVMQMPHCN-JTQLQIEISA-N 0 0 181.279 2.874 10 0 AFAERN CCCCCc1noc(N)c1CC 37413284 572122291 /nfs/dbraw/zinc/12/22/91/572122291.db2.gz HQNVMUMVCCYRPL-UHFFFAOYSA-N 0 0 182.267 2.552 10 0 AFAERN CC[C@H](C)C[C@@H](O)[C@H]1CC1(C)C 300333196 572122419 /nfs/dbraw/zinc/12/24/19/572122419.db2.gz HQXMQFLCWCZTRP-IVZWLZJFSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)CCC[C@H](NN)[C@@H]1CC1(C)C 300332916 572122526 /nfs/dbraw/zinc/12/25/26/572122526.db2.gz BXBHUOLDGXSBSM-QWRGUYRKSA-N 0 0 198.354 2.691 10 0 AFAERN C[C@H](O)C[C@H](C)Cc1cccc(F)c1 82811466 572125455 /nfs/dbraw/zinc/12/54/55/572125455.db2.gz FOEQNUMGYKOQLV-UWVGGRQHSA-N 0 0 196.265 2.775 10 0 AFAERN c1ccn(-c2ccc3c(c2)CCC3)c1 35120148 572122687 /nfs/dbraw/zinc/12/26/87/572122687.db2.gz HYVJYYHEEMOGJM-UHFFFAOYSA-N 0 0 183.254 2.966 10 0 AFAERN CC(=O)C[C@@H](C)Cc1ccc(F)cc1 82807091 572122694 /nfs/dbraw/zinc/12/26/94/572122694.db2.gz KXVDHVGSSUEXSP-SECBINFHSA-N 0 0 194.249 2.983 10 0 AFAERN CC(C)(C)CC[C@@H](O)c1ccc[nH]1 300949117 572122811 /nfs/dbraw/zinc/12/28/11/572122811.db2.gz WZAUNMVMQMPHCN-SNVBAGLBSA-N 0 0 181.279 2.874 10 0 AFAERN OCCc1cccc(C2CCCC2)c1 214610762 572122822 /nfs/dbraw/zinc/12/28/22/572122822.db2.gz NKMVUTLHILIGLR-UHFFFAOYSA-N 0 0 190.286 2.879 10 0 AFAERN CCCC(=O)c1ccc(OC)cc1F 37409273 572122859 /nfs/dbraw/zinc/12/28/59/572122859.db2.gz UHTWPTLDNIMDIG-UHFFFAOYSA-N 0 0 196.221 2.817 10 0 AFAERN CCC(CC)C(=O)[C@H](C)CC(C)=O 82805465 572122886 /nfs/dbraw/zinc/12/28/86/572122886.db2.gz MYODIDPJJARQBR-MRVPVSSYSA-N 0 0 184.279 2.607 10 0 AFAERN CC(=O)C[C@H](C)Cc1cccc(F)c1 82807182 572123010 /nfs/dbraw/zinc/12/30/10/572123010.db2.gz FAEFUMUPMYYPMP-VIFPVBQESA-N 0 0 194.249 2.983 10 0 AFAERN CC(=O)C[C@@H](C)Cc1ccccc1F 82807209 572123015 /nfs/dbraw/zinc/12/30/15/572123015.db2.gz ONJWPBMUKUFOOI-SECBINFHSA-N 0 0 194.249 2.983 10 0 AFAERN CC(=O)C[C@H](C)Cc1ccc(F)cc1 82807092 572123039 /nfs/dbraw/zinc/12/30/39/572123039.db2.gz KXVDHVGSSUEXSP-VIFPVBQESA-N 0 0 194.249 2.983 10 0 AFAERN CC(C)CCOc1cccc(F)c1N 37420135 572123198 /nfs/dbraw/zinc/12/31/98/572123198.db2.gz RDYPUKZJZHBHMX-UHFFFAOYSA-N 0 0 197.253 2.833 10 0 AFAERN CC(C)C[C@H](C)C[C@H](NN)C(C)C 300949893 572123247 /nfs/dbraw/zinc/12/32/47/572123247.db2.gz PPDSDPMTDMAFEQ-QWRGUYRKSA-N 0 0 186.343 2.547 10 0 AFAERN CCC[C@H](C)[C@@H](NN)[C@H](C)CCC 300343001 572123259 /nfs/dbraw/zinc/12/32/59/572123259.db2.gz JKYWMNIIUBZDIO-URLYPYJESA-N 0 0 186.343 2.691 10 0 AFAERN CC(=O)C[C@H](C)Cc1cccs1 82807105 572123274 /nfs/dbraw/zinc/12/32/74/572123274.db2.gz QZELXTSFCWLFFC-QMMMGPOBSA-N 0 0 182.288 2.906 10 0 AFAERN CCCCCOc1cccc(F)c1N 37420405 572123306 /nfs/dbraw/zinc/12/33/06/572123306.db2.gz LXJKMNFIJPAPBZ-UHFFFAOYSA-N 0 0 197.253 2.977 10 0 AFAERN CCC(CC)C(=O)[C@@H](C)CC(C)=O 82805464 572123555 /nfs/dbraw/zinc/12/35/55/572123555.db2.gz MYODIDPJJARQBR-QMMMGPOBSA-N 0 0 184.279 2.607 10 0 AFAERN CC(=O)C[C@H](C)Cc1ccccc1F 82807210 572123634 /nfs/dbraw/zinc/12/36/34/572123634.db2.gz ONJWPBMUKUFOOI-VIFPVBQESA-N 0 0 194.249 2.983 10 0 AFAERN Cc1ccc(C)n1C1CCC(O)CC1 35120223 572123635 /nfs/dbraw/zinc/12/36/35/572123635.db2.gz VABNYZRZQKEDLP-UHFFFAOYSA-N 0 0 193.290 2.581 10 0 AFAERN CCC[C@@H](C)[C@H](NN)c1coc(C)c1 300342438 572123577 /nfs/dbraw/zinc/12/35/77/572123577.db2.gz CBPKUYFLACMLNW-KCJUWKMLSA-N 0 0 196.294 2.529 10 0 AFAERN COc1cccc([C@@H](C)CC(C)=O)c1 82807369 572123581 /nfs/dbraw/zinc/12/35/81/572123581.db2.gz NTXHYXUOJPGOHB-VIFPVBQESA-N 0 0 192.258 2.778 10 0 AFAERN CCCCOc1cccc(F)c1N 37420402 572123687 /nfs/dbraw/zinc/12/36/87/572123687.db2.gz JODDWQLCJVJRLU-UHFFFAOYSA-N 0 0 183.226 2.587 10 0 AFAERN CCC[C@@H](C)[C@H](NN)C(C)(C)CC 300342668 572123807 /nfs/dbraw/zinc/12/38/07/572123807.db2.gz DOPFLDUIMIEARK-ZJUUUORDSA-N 0 0 186.343 2.691 10 0 AFAERN COc1ccccc1[C@H](C)CC(C)=O 82806898 572123896 /nfs/dbraw/zinc/12/38/96/572123896.db2.gz KVBUUOYHXUDXGO-SECBINFHSA-N 0 0 192.258 2.778 10 0 AFAERN COc1ccc([C@H](C)C[C@H](C)O)cc1 82812229 572125879 /nfs/dbraw/zinc/12/58/79/572125879.db2.gz QTZZSTJHNBEKJC-ZJUUUORDSA-N 0 0 194.274 2.570 10 0 AFAERN CCC[C@H](C)C[C@@H](NN)[C@H]1CC1(C)C 300333396 572124001 /nfs/dbraw/zinc/12/40/01/572124001.db2.gz LWCBFWORNDULPR-HBNTYKKESA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@H](C)C[C@H](O)[C@H]1CC1(C)C 300333195 572124247 /nfs/dbraw/zinc/12/42/47/572124247.db2.gz HQXMQFLCWCZTRP-AEJSXWLSSA-N 0 0 170.296 2.830 10 0 AFAERN COc1ccccc1[C@@H](C)CC(C)=O 82806896 572124263 /nfs/dbraw/zinc/12/42/63/572124263.db2.gz KVBUUOYHXUDXGO-VIFPVBQESA-N 0 0 192.258 2.778 10 0 AFAERN CC(C)C[C@@H](C)C[C@@H](NN)C(C)C 300949891 572124303 /nfs/dbraw/zinc/12/43/03/572124303.db2.gz PPDSDPMTDMAFEQ-GHMZBOCLSA-N 0 0 186.343 2.547 10 0 AFAERN CC(C)CCC[C@H](NN)[C@H]1CC1(C)C 300332915 572124334 /nfs/dbraw/zinc/12/43/34/572124334.db2.gz BXBHUOLDGXSBSM-MNOVXSKESA-N 0 0 198.354 2.691 10 0 AFAERN Cc1cccc(O[C@H](C)C[C@H](C)O)c1 82815454 572124847 /nfs/dbraw/zinc/12/48/47/572124847.db2.gz AVONFXUXUDADOH-WDEREUQCSA-N 0 0 194.274 2.533 10 0 AFAERN CC(C)C[C@@H](C)C[C@H](NN)C(C)C 300949892 572124438 /nfs/dbraw/zinc/12/44/38/572124438.db2.gz PPDSDPMTDMAFEQ-MNOVXSKESA-N 0 0 186.343 2.547 10 0 AFAERN CCC[C@@H](C)[C@H](NN)C1(C)CCCC1 300344518 572124586 /nfs/dbraw/zinc/12/45/86/572124586.db2.gz RKXYHDBLUDNGOH-MNOVXSKESA-N 0 0 198.354 2.835 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@H]1CC1(C)C 300343377 572124700 /nfs/dbraw/zinc/12/47/00/572124700.db2.gz ALFUKHBMPHPYGX-AEJSXWLSSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@H](C)[C@@H](O)CC[C@H](C)OC 300345945 572124716 /nfs/dbraw/zinc/12/47/16/572124716.db2.gz HJBYWXYYACVWFW-DCAQKATOSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](C)[C@H](NN)[C@H]1CCC[C@H]1C 300343573 572124742 /nfs/dbraw/zinc/12/47/42/572124742.db2.gz MOKJOVNMEOKKIE-RHYQMDGZSA-N 0 0 198.354 2.691 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@H]1CC1(C)C 300343379 572124791 /nfs/dbraw/zinc/12/47/91/572124791.db2.gz ALFUKHBMPHPYGX-IVZWLZJFSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H](O)C[C@@H](C)Cc1cccs1 82811164 572124869 /nfs/dbraw/zinc/12/48/69/572124869.db2.gz AHTKFLRTVXIORG-RKDXNWHRSA-N 0 0 184.304 2.698 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@H](CCC)OC 300346894 572124816 /nfs/dbraw/zinc/12/48/16/572124816.db2.gz KHSARBGKSUFFGY-DCAQKATOSA-N 0 0 188.311 2.599 10 0 AFAERN Cc1ccc(C[C@@H](C)C[C@@H](C)O)cc1 82811674 572124837 /nfs/dbraw/zinc/12/48/37/572124837.db2.gz CYHVIXSVJDXOFF-NWDGAFQWSA-N 0 0 192.302 2.945 10 0 AFAERN Clc1cncc(-c2ccc[nH]2)c1 196183286 572124878 /nfs/dbraw/zinc/12/48/78/572124878.db2.gz AIQOEWCFLDAGNZ-UHFFFAOYSA-N 0 0 178.622 2.730 10 0 AFAERN CCC[C@H](C)[C@H](NN)[C@H](C)C(C)C 300345154 572124923 /nfs/dbraw/zinc/12/49/23/572124923.db2.gz UYGRGDVTWKIYFU-AXFHLTTASA-N 0 0 186.343 2.547 10 0 AFAERN C[C@@H](O)C[C@H](C)Cc1cccc(F)c1 82811462 572124924 /nfs/dbraw/zinc/12/49/24/572124924.db2.gz FOEQNUMGYKOQLV-VHSXEESVSA-N 0 0 196.265 2.775 10 0 AFAERN CCC[C@H](C)[C@H](O)CC[C@H](C)OC 300345946 572124927 /nfs/dbraw/zinc/12/49/27/572124927.db2.gz HJBYWXYYACVWFW-GARJFASQSA-N 0 0 188.311 2.599 10 0 AFAERN COc1ccccc1[C@@H](C)C[C@@H](C)O 82811511 572124936 /nfs/dbraw/zinc/12/49/36/572124936.db2.gz UJBQJIRXKOCHTC-VHSXEESVSA-N 0 0 194.274 2.570 10 0 AFAERN CCC[C@H](C)[C@H](NN)[C@H]1CC[C@@H](C)C1 300346215 572124941 /nfs/dbraw/zinc/12/49/41/572124941.db2.gz HTSYFCJNNAIXSD-RHYQMDGZSA-N 0 0 198.354 2.691 10 0 AFAERN CCC[C@H](C)[C@H](NN)[C@H]1CCC[C@@H]1C 300343571 572124971 /nfs/dbraw/zinc/12/49/71/572124971.db2.gz MOKJOVNMEOKKIE-BJDJZHNGSA-N 0 0 198.354 2.691 10 0 AFAERN CCCCC[C@@H](C)C[C@H](C)O 82811136 572124984 /nfs/dbraw/zinc/12/49/84/572124984.db2.gz GENRWSDYODERST-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN C[C@H](O)C[C@@H](C)Cc1cccs1 82811168 572124992 /nfs/dbraw/zinc/12/49/92/572124992.db2.gz AHTKFLRTVXIORG-BDAKNGLRSA-N 0 0 184.304 2.698 10 0 AFAERN C[C@H](O)C[C@@H](C)Cc1ccc(F)cc1 82811447 572125082 /nfs/dbraw/zinc/12/50/82/572125082.db2.gz QXCXFGZAVRBTSZ-ZJUUUORDSA-N 0 0 196.265 2.775 10 0 AFAERN COc1ccc([C@@H](C)C[C@H](C)O)cc1 82812226 572125111 /nfs/dbraw/zinc/12/51/11/572125111.db2.gz QTZZSTJHNBEKJC-UWVGGRQHSA-N 0 0 194.274 2.570 10 0 AFAERN C[C@H](O)C[C@@H](C)Cc1cccc(F)c1 82811464 572125127 /nfs/dbraw/zinc/12/51/27/572125127.db2.gz FOEQNUMGYKOQLV-ZJUUUORDSA-N 0 0 196.265 2.775 10 0 AFAERN C[C@H](O)C[C@H](C)CC1CCCC1 82811847 572125132 /nfs/dbraw/zinc/12/51/32/572125132.db2.gz CZWWYZYZVWHPHF-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)C[C@H](C)Cc1ccc(F)cc1 82811449 572125168 /nfs/dbraw/zinc/12/51/68/572125168.db2.gz QXCXFGZAVRBTSZ-UWVGGRQHSA-N 0 0 196.265 2.775 10 0 AFAERN Cc1ccc(C[C@H](C)C[C@@H](C)O)cc1 82811676 572125180 /nfs/dbraw/zinc/12/51/80/572125180.db2.gz CYHVIXSVJDXOFF-VXGBXAGGSA-N 0 0 192.302 2.945 10 0 AFAERN CCC[C@H](C)[C@H](NN)[C@@H]1CC[C@H](C)C1 300346216 572125246 /nfs/dbraw/zinc/12/52/46/572125246.db2.gz HTSYFCJNNAIXSD-YFKTTZPYSA-N 0 0 198.354 2.691 10 0 AFAERN CCC[C@H](C)[C@H](C)[C@H](O)CC 300345533 572125283 /nfs/dbraw/zinc/12/52/83/572125283.db2.gz GOZUCFBQMUZOIE-LPEHRKFASA-N 0 0 158.285 2.830 10 0 AFAERN C[C@H](O)C[C@@H](C)Cc1ccccc1F 82811320 572125309 /nfs/dbraw/zinc/12/53/09/572125309.db2.gz GLYDCNXYSJLFAX-ZJUUUORDSA-N 0 0 196.265 2.775 10 0 AFAERN C[C@H](O)C[C@H](C)Cc1cccs1 82811170 572125328 /nfs/dbraw/zinc/12/53/28/572125328.db2.gz AHTKFLRTVXIORG-IUCAKERBSA-N 0 0 184.304 2.698 10 0 AFAERN CCC[C@@H](C)[C@H](NN)c1ccc(C)o1 300345393 572125339 /nfs/dbraw/zinc/12/53/39/572125339.db2.gz VNBZSOZOMSIRTQ-KCJUWKMLSA-N 0 0 196.294 2.529 10 0 AFAERN CC(C)CC[C@H](C)C[C@H](C)O 82811481 572125365 /nfs/dbraw/zinc/12/53/65/572125365.db2.gz RDHDOXWUSHJJTI-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN C[C@H](O)C[C@@H](C)CC1CCCC1 82811846 572125377 /nfs/dbraw/zinc/12/53/77/572125377.db2.gz CZWWYZYZVWHPHF-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H](Cc1ccccc1F)C[C@@H](C)O 82811315 572125522 /nfs/dbraw/zinc/12/55/22/572125522.db2.gz GLYDCNXYSJLFAX-NXEZZACHSA-N 0 0 196.265 2.775 10 0 AFAERN CCCCC[C@H](C)C[C@H](C)O 82811138 572125550 /nfs/dbraw/zinc/12/55/50/572125550.db2.gz GENRWSDYODERST-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN C[C@H](Cc1cccs1)C[C@@H](C)O 82811166 572125584 /nfs/dbraw/zinc/12/55/84/572125584.db2.gz AHTKFLRTVXIORG-DTWKUNHWSA-N 0 0 184.304 2.698 10 0 AFAERN Cc1ccccc1O[C@H](C)C[C@@H](C)O 82815456 572125592 /nfs/dbraw/zinc/12/55/92/572125592.db2.gz PQMSZWGZOJRLQB-GHMZBOCLSA-N 0 0 194.274 2.533 10 0 AFAERN Cc1ccc(C[C@@H](C)C[C@H](C)O)cc1 82811679 572125712 /nfs/dbraw/zinc/12/57/12/572125712.db2.gz CYHVIXSVJDXOFF-RYUDHWBXSA-N 0 0 192.302 2.945 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@H](CC)OCC 300343746 572125722 /nfs/dbraw/zinc/12/57/22/572125722.db2.gz BHSXKUYGNOGWGL-GARJFASQSA-N 0 0 188.311 2.599 10 0 AFAERN C[C@@H](O)C[C@H](C)CC1CCCC1 82811844 572125747 /nfs/dbraw/zinc/12/57/47/572125747.db2.gz CZWWYZYZVWHPHF-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H](C)[C@H](NN)c1ccoc1C 300346922 572125767 /nfs/dbraw/zinc/12/57/67/572125767.db2.gz KKRDVZLXGQSPPD-KCJUWKMLSA-N 0 0 196.294 2.529 10 0 AFAERN Cc1ccc(C[C@H](C)C[C@H](C)O)cc1 82811680 572125836 /nfs/dbraw/zinc/12/58/36/572125836.db2.gz CYHVIXSVJDXOFF-NEPJUHHUSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1ccccc1O[C@@H](C)C[C@@H](C)O 82815455 572125867 /nfs/dbraw/zinc/12/58/67/572125867.db2.gz PQMSZWGZOJRLQB-MNOVXSKESA-N 0 0 194.274 2.533 10 0 AFAERN CCC[C@@H](C)[C@@](O)(CC)C1CC1 300344530 572125895 /nfs/dbraw/zinc/12/58/95/572125895.db2.gz DFAQMOQMTXUYRM-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN COc1cccc([C@H](C)C[C@H](C)O)c1 82812087 572125903 /nfs/dbraw/zinc/12/59/03/572125903.db2.gz ALKQPRNHLTYRMB-ZJUUUORDSA-N 0 0 194.274 2.570 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@](C)(CC)OC 300343281 572125926 /nfs/dbraw/zinc/12/59/26/572125926.db2.gz ABRWPIJHNGBIQA-AXFHLTTASA-N 0 0 188.311 2.599 10 0 AFAERN C[C@@H](O)C[C@H](C)Cc1ccc(F)cc1 82811445 572125978 /nfs/dbraw/zinc/12/59/78/572125978.db2.gz QXCXFGZAVRBTSZ-VHSXEESVSA-N 0 0 196.265 2.775 10 0 AFAERN COc1cccc([C@@H](C)C[C@@H](C)O)c1 82812081 572125987 /nfs/dbraw/zinc/12/59/87/572125987.db2.gz ALKQPRNHLTYRMB-VHSXEESVSA-N 0 0 194.274 2.570 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@H](CCC)OC 300346895 572126026 /nfs/dbraw/zinc/12/60/26/572126026.db2.gz KHSARBGKSUFFGY-GARJFASQSA-N 0 0 188.311 2.599 10 0 AFAERN Cc1ccccc1C[C@H](C)C[C@@H](C)O 82812092 572126040 /nfs/dbraw/zinc/12/60/40/572126040.db2.gz JLCPZMPPMXPWLM-ZYHUDNBSSA-N 0 0 192.302 2.945 10 0 AFAERN COc1cccc([C@H](C)C[C@@H](C)O)c1 82812084 572126042 /nfs/dbraw/zinc/12/60/42/572126042.db2.gz ALKQPRNHLTYRMB-NXEZZACHSA-N 0 0 194.274 2.570 10 0 AFAERN COc1ccccc1[C@@H](C)C[C@H](C)O 82811514 572126084 /nfs/dbraw/zinc/12/60/84/572126084.db2.gz UJBQJIRXKOCHTC-UWVGGRQHSA-N 0 0 194.274 2.570 10 0 AFAERN Cc1cccc(C[C@H](C)C[C@@H](C)O)c1 82811453 572126119 /nfs/dbraw/zinc/12/61/19/572126119.db2.gz IHXFMQGPZQLKFI-VXGBXAGGSA-N 0 0 192.302 2.945 10 0 AFAERN CCC[C@@H](C)[C@H](CC(C)(C)C)NN 300346695 572126149 /nfs/dbraw/zinc/12/61/49/572126149.db2.gz JNOCINMABBFEMV-ZJUUUORDSA-N 0 0 186.343 2.691 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@](C)(CC)OC 300343283 572126166 /nfs/dbraw/zinc/12/61/66/572126166.db2.gz ABRWPIJHNGBIQA-DCAQKATOSA-N 0 0 188.311 2.599 10 0 AFAERN C[C@@H](Cc1cccc(F)c1)C[C@@H](C)O 82811460 572126261 /nfs/dbraw/zinc/12/62/61/572126261.db2.gz FOEQNUMGYKOQLV-NXEZZACHSA-N 0 0 196.265 2.775 10 0 AFAERN CCC[C@H](C)[C@@H](NN)[C@H](C)C(C)C 300345155 572126267 /nfs/dbraw/zinc/12/62/67/572126267.db2.gz UYGRGDVTWKIYFU-HBNTYKKESA-N 0 0 186.343 2.547 10 0 AFAERN COc1ccccc1[C@H](C)C[C@H](C)O 82811516 572126285 /nfs/dbraw/zinc/12/62/85/572126285.db2.gz UJBQJIRXKOCHTC-ZJUUUORDSA-N 0 0 194.274 2.570 10 0 AFAERN CCC[C@@H](C)[C@@](C)(O)CC1CC1 300345046 572126287 /nfs/dbraw/zinc/12/62/87/572126287.db2.gz FMCOXFTXBMPEIM-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H](Cc1ccc(F)cc1)C[C@@H](C)O 82811443 572126290 /nfs/dbraw/zinc/12/62/90/572126290.db2.gz QXCXFGZAVRBTSZ-NXEZZACHSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)CC[C@H](C)C[C@@H](C)O 82811477 572126295 /nfs/dbraw/zinc/12/62/95/572126295.db2.gz RDHDOXWUSHJJTI-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN Cc1cccc(O[C@@H](C)C[C@@H](C)O)c1 82815451 572126332 /nfs/dbraw/zinc/12/63/32/572126332.db2.gz AVONFXUXUDADOH-MNOVXSKESA-N 0 0 194.274 2.533 10 0 AFAERN CCC[C@H](C)[C@H](NN)[C@H]1CC[C@H](C)C1 300346214 572126335 /nfs/dbraw/zinc/12/63/35/572126335.db2.gz HTSYFCJNNAIXSD-BJDJZHNGSA-N 0 0 198.354 2.691 10 0 AFAERN Cc1cccc(O[C@H](C)C[C@@H](C)O)c1 82815452 572126397 /nfs/dbraw/zinc/12/63/97/572126397.db2.gz AVONFXUXUDADOH-GHMZBOCLSA-N 0 0 194.274 2.533 10 0 AFAERN C[C@@H](CC1CCCC1)C[C@@H](C)O 82811842 572126404 /nfs/dbraw/zinc/12/64/04/572126404.db2.gz CZWWYZYZVWHPHF-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)C[C@@H](C)Cc1ccsc1 82811718 572126435 /nfs/dbraw/zinc/12/64/35/572126435.db2.gz URVNLMHSMBXTFN-BDAKNGLRSA-N 0 0 184.304 2.698 10 0 AFAERN C[C@H](O)C[C@@H](C)Cc1ccccc1 82811359 572126445 /nfs/dbraw/zinc/12/64/45/572126445.db2.gz JJZJTXBPOSULJW-MNOVXSKESA-N 0 0 178.275 2.636 10 0 AFAERN COc1ccccc1[C@H](C)C[C@@H](C)O 82811513 572126470 /nfs/dbraw/zinc/12/64/70/572126470.db2.gz UJBQJIRXKOCHTC-NXEZZACHSA-N 0 0 194.274 2.570 10 0 AFAERN C[C@@H](O)C[C@H](C)Cc1ccsc1 82811716 572126473 /nfs/dbraw/zinc/12/64/73/572126473.db2.gz URVNLMHSMBXTFN-DTWKUNHWSA-N 0 0 184.304 2.698 10 0 AFAERN Cc1cccc(C[C@H](C)C[C@H](C)O)c1 82811457 572126519 /nfs/dbraw/zinc/12/65/19/572126519.db2.gz IHXFMQGPZQLKFI-NEPJUHHUSA-N 0 0 192.302 2.945 10 0 AFAERN C[C@]12CCCC1=CCCCC2=O 196184846 572126545 /nfs/dbraw/zinc/12/65/45/572126545.db2.gz TYUSRSISOMHJRM-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN COc1ccc([C@@H](C)C[C@@H](C)O)cc1 82812223 572126575 /nfs/dbraw/zinc/12/65/75/572126575.db2.gz QTZZSTJHNBEKJC-VHSXEESVSA-N 0 0 194.274 2.570 10 0 AFAERN C[C@@H](O)C[C@H](C)Cc1ccccc1F 82811317 572126598 /nfs/dbraw/zinc/12/65/98/572126598.db2.gz GLYDCNXYSJLFAX-VHSXEESVSA-N 0 0 196.265 2.775 10 0 AFAERN Cc1ccccc1C[C@H](C)C[C@H](C)O 82812096 572126691 /nfs/dbraw/zinc/12/66/91/572126691.db2.gz JLCPZMPPMXPWLM-PWSUYJOCSA-N 0 0 192.302 2.945 10 0 AFAERN C[C@@]12CCCC1=CCCCC2=O 196184840 572126706 /nfs/dbraw/zinc/12/67/06/572126706.db2.gz TYUSRSISOMHJRM-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CC(C)CC[C@@H](C)C[C@H](C)O 82811479 572126736 /nfs/dbraw/zinc/12/67/36/572126736.db2.gz RDHDOXWUSHJJTI-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN Cc1ccccc1C[C@@H](C)C[C@H](C)O 82812094 572126800 /nfs/dbraw/zinc/12/68/00/572126800.db2.gz JLCPZMPPMXPWLM-JQWIXIFHSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1ccccc1C[C@@H](C)C[C@@H](C)O 82812089 572126817 /nfs/dbraw/zinc/12/68/17/572126817.db2.gz JLCPZMPPMXPWLM-CMPLNLGQSA-N 0 0 192.302 2.945 10 0 AFAERN Cc1cccc(O[C@@H](C)C[C@H](C)O)c1 82815453 572126838 /nfs/dbraw/zinc/12/68/38/572126838.db2.gz AVONFXUXUDADOH-QWRGUYRKSA-N 0 0 194.274 2.533 10 0 AFAERN CCCCC[C@@H](C)C[C@@H](C)O 82811132 572126851 /nfs/dbraw/zinc/12/68/51/572126851.db2.gz GENRWSDYODERST-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN C[C@H](O)C[C@H](C)Cc1ccccc1 82811361 572126872 /nfs/dbraw/zinc/12/68/72/572126872.db2.gz JJZJTXBPOSULJW-QWRGUYRKSA-N 0 0 178.275 2.636 10 0 AFAERN COc1ccc([C@H](C)C[C@@H](C)O)cc1 82812224 572126879 /nfs/dbraw/zinc/12/68/79/572126879.db2.gz QTZZSTJHNBEKJC-NXEZZACHSA-N 0 0 194.274 2.570 10 0 AFAERN C[C@H](O)C[C@H](C)Cc1ccsc1 82811720 572126903 /nfs/dbraw/zinc/12/69/03/572126903.db2.gz URVNLMHSMBXTFN-IUCAKERBSA-N 0 0 184.304 2.698 10 0 AFAERN C[C@H](O)C[C@H](C)Cc1ccccc1F 82811322 572126906 /nfs/dbraw/zinc/12/69/06/572126906.db2.gz GLYDCNXYSJLFAX-UWVGGRQHSA-N 0 0 196.265 2.775 10 0 AFAERN CCCCC[C@H](C)C[C@@H](C)O 82811134 572126930 /nfs/dbraw/zinc/12/69/30/572126930.db2.gz GENRWSDYODERST-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN C[C@@H](O)C[C@H](C)Cc1ccccc1 82811357 572126955 /nfs/dbraw/zinc/12/69/55/572126955.db2.gz JJZJTXBPOSULJW-WDEREUQCSA-N 0 0 178.275 2.636 10 0 AFAERN Cc1cccc(C[C@@H](C)C[C@@H](C)O)c1 82811451 572126960 /nfs/dbraw/zinc/12/69/60/572126960.db2.gz IHXFMQGPZQLKFI-NWDGAFQWSA-N 0 0 192.302 2.945 10 0 AFAERN COc1cccc([C@@H](C)C[C@H](C)O)c1 82812086 572127045 /nfs/dbraw/zinc/12/70/45/572127045.db2.gz ALKQPRNHLTYRMB-UWVGGRQHSA-N 0 0 194.274 2.570 10 0 AFAERN Cc1ccc(O[C@H](C)C[C@@H](C)O)cc1 82815491 572127270 /nfs/dbraw/zinc/12/72/70/572127270.db2.gz PMXUMPQXUVODEY-GHMZBOCLSA-N 0 0 194.274 2.533 10 0 AFAERN CCC[C@@H](C)[C@@](C)(CC)CO 300347602 572127298 /nfs/dbraw/zinc/12/72/98/572127298.db2.gz LNLJFNOALFSTLW-ZJUUUORDSA-N 0 0 158.285 2.831 10 0 AFAERN Cc1cccc2[nH]c(-c3ccon3)nc12 82821725 572127385 /nfs/dbraw/zinc/12/73/85/572127385.db2.gz YIQYFEXMNLVZFI-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN CCOC(=O)C(F)=C1CCCCC1 196185186 572127406 /nfs/dbraw/zinc/12/74/06/572127406.db2.gz VDXJZTLYXSLPTP-UHFFFAOYSA-N 0 0 186.226 2.737 10 0 AFAERN CCCCC(C)(C)C[C@@H](C)O 82817064 572127473 /nfs/dbraw/zinc/12/74/73/572127473.db2.gz RHCRTWIEBUSEFM-SECBINFHSA-N 0 0 158.285 2.974 10 0 AFAERN Cc1ccccc1O[C@@H](C)C[C@H](C)O 82815457 572127508 /nfs/dbraw/zinc/12/75/08/572127508.db2.gz PQMSZWGZOJRLQB-QWRGUYRKSA-N 0 0 194.274 2.533 10 0 AFAERN CCCC[C@H](O)c1cnc(C)s1 300347437 572127650 /nfs/dbraw/zinc/12/76/50/572127650.db2.gz HARTUEOUEHQANA-QMMMGPOBSA-N 0 0 185.292 2.675 10 0 AFAERN CCC[C@@H](C)[C@H](O)CSC(C)C 300348343 572127689 /nfs/dbraw/zinc/12/76/89/572127689.db2.gz NWFKGWVCSIUSAO-NXEZZACHSA-N 0 0 190.352 2.925 10 0 AFAERN Cc1ccc(O[C@@H](C)C[C@H](C)O)cc1 82815492 572127697 /nfs/dbraw/zinc/12/76/97/572127697.db2.gz PMXUMPQXUVODEY-QWRGUYRKSA-N 0 0 194.274 2.533 10 0 AFAERN CCC[C@H](C)[C@@H](C)C[C@H](C)O 300347654 572127699 /nfs/dbraw/zinc/12/76/99/572127699.db2.gz LYLBCFVLKQRKKC-GUBZILKMSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)CCCO[C@@H](C)C[C@H](C)O 82815544 572127987 /nfs/dbraw/zinc/12/79/87/572127987.db2.gz CJBDBLHLJAKABN-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN Cc1ccc(O[C@H](C)C[C@H](C)O)cc1 82815493 572128096 /nfs/dbraw/zinc/12/80/96/572128096.db2.gz PMXUMPQXUVODEY-WDEREUQCSA-N 0 0 194.274 2.533 10 0 AFAERN CCCCC(C)(C)C[C@H](C)O 82817065 572128272 /nfs/dbraw/zinc/12/82/72/572128272.db2.gz RHCRTWIEBUSEFM-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN CCC[C@H](C)[C@@]1(CO)C[C@@H]2C[C@@H]2C1 300348624 572128296 /nfs/dbraw/zinc/12/82/96/572128296.db2.gz OPSSUGQTIUCAEC-YFKTTZPYSA-N 0 0 182.307 2.831 10 0 AFAERN CCC[C@H](C)C(=O)[C@H]1CC[C@H](C)O1 300348007 572128595 /nfs/dbraw/zinc/12/85/95/572128595.db2.gz MXRFRKLGOGCCRM-LPEHRKFASA-N 0 0 184.279 2.559 10 0 AFAERN CC(C)CCCO[C@@H](C)C[C@@H](C)O 82815542 572128337 /nfs/dbraw/zinc/12/83/37/572128337.db2.gz CJBDBLHLJAKABN-MNOVXSKESA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](C)CS[C@H](C)[C@H](C)O 300341132 572128421 /nfs/dbraw/zinc/12/84/21/572128421.db2.gz SFWWHCJAZQGXDT-LPEHRKFASA-N 0 0 190.352 2.925 10 0 AFAERN CC(C)CCCO[C@H](C)C[C@@H](C)O 82815543 572128498 /nfs/dbraw/zinc/12/84/98/572128498.db2.gz CJBDBLHLJAKABN-GHMZBOCLSA-N 0 0 188.311 2.599 10 0 AFAERN Cc1ccccc1O[C@H](C)C[C@H](C)O 82815458 572128536 /nfs/dbraw/zinc/12/85/36/572128536.db2.gz PQMSZWGZOJRLQB-WDEREUQCSA-N 0 0 194.274 2.533 10 0 AFAERN CCC[C@@H](C)[C@H](O)CCSCC 300347955 572128537 /nfs/dbraw/zinc/12/85/37/572128537.db2.gz MLOMHPQGEYAFGD-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN CCC[C@H](C)[C@H](C)C[C@H](C)O 300347652 572128645 /nfs/dbraw/zinc/12/86/45/572128645.db2.gz LYLBCFVLKQRKKC-AEJSXWLSSA-N 0 0 158.285 2.830 10 0 AFAERN CC(=O)CC(C)(C)CC1CCOCC1 82816205 572128699 /nfs/dbraw/zinc/12/86/99/572128699.db2.gz PHQASTOPQYFTJA-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1ccc(O[C@@H](C)C[C@@H](C)O)cc1 82815490 572128733 /nfs/dbraw/zinc/12/87/33/572128733.db2.gz PMXUMPQXUVODEY-MNOVXSKESA-N 0 0 194.274 2.533 10 0 AFAERN CCC[C@@H](C)[C@H](O)COC(C)(C)C 300348779 572128805 /nfs/dbraw/zinc/12/88/05/572128805.db2.gz PAKAZULRLCLJGN-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](C)CS[C@@H](C)[C@H](C)O 300341131 572128808 /nfs/dbraw/zinc/12/88/08/572128808.db2.gz SFWWHCJAZQGXDT-GUBZILKMSA-N 0 0 190.352 2.925 10 0 AFAERN CCC[C@@H](C)[C@H](O)CCCSC 300348282 572129134 /nfs/dbraw/zinc/12/91/34/572129134.db2.gz NLUDJUWDNXWBRT-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN CCC[C@@H](C)[C@H](O)CC(F)(F)F 300348593 572129257 /nfs/dbraw/zinc/12/92/57/572129257.db2.gz OLJLNPVIZRYQIA-RNFRBKRXSA-N 0 0 184.201 2.736 10 0 AFAERN CCC[C@@H](C[C@H](C)CC(C)C)NN 300950925 572129645 /nfs/dbraw/zinc/12/96/45/572129645.db2.gz PRWGMYMTTPIZFU-MNOVXSKESA-N 0 0 186.343 2.691 10 0 AFAERN C[C@@H]1CC(C(C)(C)O)C[C@H](C)C1 82832990 572129580 /nfs/dbraw/zinc/12/95/80/572129580.db2.gz FBHUFRVYXCXHLB-ULKQDVFKSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](O)C1C[C@@H](C)C[C@@H](C)C1 82833114 572129833 /nfs/dbraw/zinc/12/98/33/572129833.db2.gz WMVLHYDPQOZPBH-IXMYILBSSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@@H](C[C@@H](C)CC(C)C)NN 300950926 572129840 /nfs/dbraw/zinc/12/98/40/572129840.db2.gz PRWGMYMTTPIZFU-QWRGUYRKSA-N 0 0 186.343 2.691 10 0 AFAERN COC(=N)CCc1ccc(C)cc1 71497278 572129980 /nfs/dbraw/zinc/12/99/80/572129980.db2.gz DBFCLBMVKKCWCW-UHFFFAOYSA-N 0 0 177.247 2.551 10 0 AFAERN CCC[C@H](C[C@@H](C)CC(C)C)NN 300950928 572129983 /nfs/dbraw/zinc/12/99/83/572129983.db2.gz PRWGMYMTTPIZFU-WDEREUQCSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1cccc(C[C@@H](O)CC(C)C)c1 37465313 572130026 /nfs/dbraw/zinc/13/00/26/572130026.db2.gz AHEOLUPTRDVCMK-ZDUSSCGKSA-N 0 0 192.302 2.945 10 0 AFAERN CC(C)C[C@@H](O)Cc1ccccc1F 37465305 572130095 /nfs/dbraw/zinc/13/00/95/572130095.db2.gz AJMROBCNTOFLJJ-LLVKDONJSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)C[C@H](O)Cc1ccccc1F 37465303 572131440 /nfs/dbraw/zinc/13/14/40/572131440.db2.gz AJMROBCNTOFLJJ-NSHDSACASA-N 0 0 196.265 2.775 10 0 AFAERN COCCC(=O)C1C[C@H](C)C[C@@H](C)C1 82833285 572130258 /nfs/dbraw/zinc/13/02/58/572130258.db2.gz KTCIMOPMFSKVHS-NXEZZACHSA-N 0 0 198.306 2.664 10 0 AFAERN CC(C)C[C@@H](O)Cc1ccc(F)cc1 37465051 572130266 /nfs/dbraw/zinc/13/02/66/572130266.db2.gz MTDZCUCHIVBUKF-GFCCVEGCSA-N 0 0 196.265 2.775 10 0 AFAERN CCC1(O)C[C@@H](C)C[C@@H](C)C1 82831611 572130295 /nfs/dbraw/zinc/13/02/95/572130295.db2.gz WDZNTFQBUQGVTR-ULKQDVFKSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](O)C1C[C@@H](C)C[C@@H](C)C1 82833115 572130405 /nfs/dbraw/zinc/13/04/05/572130405.db2.gz WMVLHYDPQOZPBH-KJLIAQIISA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@](O)(CCc1ccccc1)C1CC1 37463885 572130406 /nfs/dbraw/zinc/13/04/06/572130406.db2.gz ZIGQDEZCSLZMCC-CYBMUJFWSA-N 0 0 190.286 2.780 10 0 AFAERN C[C@@H]1CC(SCCO)C[C@H](C)C1 82832968 572131452 /nfs/dbraw/zinc/13/14/52/572131452.db2.gz KMDCIZQWZQZXDG-ULKQDVFKSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@@H]1CC(Nc2cn[nH]c2)C[C@H](C)C1 82829768 572130465 /nfs/dbraw/zinc/13/04/65/572130465.db2.gz FBYLZWPHIYDWOQ-ULKQDVFKSA-N 0 0 193.294 2.646 10 0 AFAERN CC(C)C[C@H](O)Cc1ccc(F)cc1 37465049 572130527 /nfs/dbraw/zinc/13/05/27/572130527.db2.gz MTDZCUCHIVBUKF-LBPRGKRZSA-N 0 0 196.265 2.775 10 0 AFAERN C[C@H](CC1CC1)n1cccc1C=O 69669592 572130566 /nfs/dbraw/zinc/13/05/66/572130566.db2.gz UEZALUDJYNFNIO-SECBINFHSA-N 0 0 177.247 2.662 10 0 AFAERN C[C@@H](CC1CC1)n1cccc1C=O 69669589 572131458 /nfs/dbraw/zinc/13/14/58/572131458.db2.gz UEZALUDJYNFNIO-VIFPVBQESA-N 0 0 177.247 2.662 10 0 AFAERN CCC(O)(CC)Cc1cccc(F)c1 37463612 572130640 /nfs/dbraw/zinc/13/06/40/572130640.db2.gz NKGZHBLKMQAHSL-UHFFFAOYSA-N 0 0 196.265 2.919 10 0 AFAERN CCCC(=O)NC1C[C@@H](C)C[C@@H](C)C1 82821913 572130658 /nfs/dbraw/zinc/13/06/58/572130658.db2.gz SBWAJEMKQYRCKB-ZACCUICWSA-N 0 0 197.322 2.727 10 0 AFAERN COCCC(=O)C1C[C@@H](C)C[C@@H](C)C1 82833283 572130852 /nfs/dbraw/zinc/13/08/52/572130852.db2.gz KTCIMOPMFSKVHS-ZACCUICWSA-N 0 0 198.306 2.664 10 0 AFAERN COC(=N)CCc1ccccc1C 71497225 572130881 /nfs/dbraw/zinc/13/08/81/572130881.db2.gz BTOJVXKZXHAXMT-UHFFFAOYSA-N 0 0 177.247 2.551 10 0 AFAERN C[C@H]1C[C@@H](C)CC(O)(c2ccco2)C1 82831693 572130901 /nfs/dbraw/zinc/13/09/01/572130901.db2.gz YRXDRHZKCQZJOB-DHHPTOIESA-N 0 0 194.274 2.923 10 0 AFAERN CC(C)C[C@H](O)Cc1cccc(F)c1 37465327 572130915 /nfs/dbraw/zinc/13/09/15/572130915.db2.gz RZYPBXIFDQKVDT-LBPRGKRZSA-N 0 0 196.265 2.775 10 0 AFAERN C[C@](O)(CCc1ccccc1)C1CC1 37463887 572130939 /nfs/dbraw/zinc/13/09/39/572130939.db2.gz ZIGQDEZCSLZMCC-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN CC(C)C1(O)C[C@@H](C)C[C@@H](C)C1 82831599 572131037 /nfs/dbraw/zinc/13/10/37/572131037.db2.gz RRSKNKAUVRYJJH-ZACCUICWSA-N 0 0 170.296 2.830 10 0 AFAERN CCC(O)(CC)Cc1ccccc1F 37463604 572131038 /nfs/dbraw/zinc/13/10/38/572131038.db2.gz ZSPHQUXKIJMSAP-UHFFFAOYSA-N 0 0 196.265 2.919 10 0 AFAERN CC[C@@H](CC1CC1)NCC(F)(F)F 69672676 572131043 /nfs/dbraw/zinc/13/10/43/572131043.db2.gz TVQKIGPDNOJNLZ-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN C[C@H]1C[C@@H](C)CC(O)(C(F)(F)F)C1 82831979 572131059 /nfs/dbraw/zinc/13/10/59/572131059.db2.gz OGRIYPKUWFZDPQ-DHBOJHSNSA-N 0 0 196.212 2.736 10 0 AFAERN CC(C)C(=O)NC1C[C@@H](C)C[C@@H](C)C1 82828909 572131068 /nfs/dbraw/zinc/13/10/68/572131068.db2.gz DFGHPFGOZINBLE-ZACCUICWSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@H]1C[C@@H](C)CC(O)(c2ccoc2)C1 82831553 572131148 /nfs/dbraw/zinc/13/11/48/572131148.db2.gz WDXBVNZQOWMNID-DHHPTOIESA-N 0 0 194.274 2.923 10 0 AFAERN COC(=N)CCc1cccc(C)c1 71497255 572131000 /nfs/dbraw/zinc/13/10/00/572131000.db2.gz VFVVXTHYCGKFMF-UHFFFAOYSA-N 0 0 177.247 2.551 10 0 AFAERN CC(C)C[C@@H](O)Cc1cccc(F)c1 37465329 572131205 /nfs/dbraw/zinc/13/12/05/572131205.db2.gz RZYPBXIFDQKVDT-GFCCVEGCSA-N 0 0 196.265 2.775 10 0 AFAERN Cc1ccc(C[C@@H](O)CC(C)C)cc1 37465297 572131209 /nfs/dbraw/zinc/13/12/09/572131209.db2.gz MTEULVCSLUFUKR-ZDUSSCGKSA-N 0 0 192.302 2.945 10 0 AFAERN C[C@H]1C[C@@H](C)CC(N)(C(F)(F)F)C1 82832253 572131263 /nfs/dbraw/zinc/13/12/63/572131263.db2.gz YEQJCFWLOOASKJ-DHBOJHSNSA-N 0 0 195.228 2.702 10 0 AFAERN CCCC[C@@](C)(O)c1cncc(F)c1 300353896 572131252 /nfs/dbraw/zinc/13/12/52/572131252.db2.gz ZMFFCANCQSSXJT-LLVKDONJSA-N 0 0 197.253 2.618 10 0 AFAERN C[C@H]1C[C@@H](C)CC2(CC(=O)CCO2)C1 82832317 572131413 /nfs/dbraw/zinc/13/14/13/572131413.db2.gz BTNOIOAETIEJDO-DHHPTOIESA-N 0 0 196.290 2.561 10 0 AFAERN Cc1ccc(C[C@H](O)CC(C)C)cc1 37465295 572131319 /nfs/dbraw/zinc/13/13/19/572131319.db2.gz MTEULVCSLUFUKR-CYBMUJFWSA-N 0 0 192.302 2.945 10 0 AFAERN CCOc1cccc([C@@H](O)C(C)C)c1 37464396 572131328 /nfs/dbraw/zinc/13/13/28/572131328.db2.gz OLFJJXWZBKCYLX-LBPRGKRZSA-N 0 0 194.274 2.775 10 0 AFAERN CCC[C@H](O)CCOc1ccccc1 37464373 572131350 /nfs/dbraw/zinc/13/13/50/572131350.db2.gz JNXJDXPDPIGACZ-NSHDSACASA-N 0 0 194.274 2.617 10 0 AFAERN CCOC(=O)NC1C[C@@H](C)C[C@@H](C)C1 82828949 572131387 /nfs/dbraw/zinc/13/13/87/572131387.db2.gz LFMUCBCIHSRXBE-ULKQDVFKSA-N 0 0 199.294 2.557 10 0 AFAERN CCC(O)(CC)Cc1ccc(F)cc1 37463610 572131526 /nfs/dbraw/zinc/13/15/26/572131526.db2.gz ADEQIBFHWPEMGP-UHFFFAOYSA-N 0 0 196.265 2.919 10 0 AFAERN Cc1cccc(C[C@H](O)CC(C)C)c1 37465311 572131583 /nfs/dbraw/zinc/13/15/83/572131583.db2.gz AHEOLUPTRDVCMK-CYBMUJFWSA-N 0 0 192.302 2.945 10 0 AFAERN CCC[C@@H](O)CCOc1ccccc1 37464375 572131560 /nfs/dbraw/zinc/13/15/60/572131560.db2.gz JNXJDXPDPIGACZ-LLVKDONJSA-N 0 0 194.274 2.617 10 0 AFAERN CCCC1(O)C[C@@H](C)C[C@@H](C)C1 82831672 572131633 /nfs/dbraw/zinc/13/16/33/572131633.db2.gz UBUXGQMNCPCUAY-ZACCUICWSA-N 0 0 170.296 2.974 10 0 AFAERN COCCC(=O)C1C[C@@H](C)C[C@H](C)C1 82833284 572131709 /nfs/dbraw/zinc/13/17/09/572131709.db2.gz KTCIMOPMFSKVHS-UWVGGRQHSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@H](CC1CC1)NCC(F)(F)F 69672679 572131748 /nfs/dbraw/zinc/13/17/48/572131748.db2.gz TVQKIGPDNOJNLZ-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN Cc1ccccc1C[C@@H](O)CC(C)C 37465317 572131896 /nfs/dbraw/zinc/13/18/96/572131896.db2.gz XRQSLAIPCALHPV-ZDUSSCGKSA-N 0 0 192.302 2.945 10 0 AFAERN CCC[C@@H](C)[C@@](C)(O)c1cccnc1 300353507 572131953 /nfs/dbraw/zinc/13/19/53/572131953.db2.gz XFYMSSGQUWJVKM-ZYHUDNBSSA-N 0 0 193.290 2.725 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@@]1(C)C[C@@H]1F 713219554 572132304 /nfs/dbraw/zinc/13/23/04/572132304.db2.gz VYQMIZAXSLVQJI-QXEWZRGKSA-N 0 0 188.286 2.922 10 0 AFAERN CCOc1cccc([C@H](O)C(C)C)c1 37464394 572131995 /nfs/dbraw/zinc/13/19/95/572131995.db2.gz OLFJJXWZBKCYLX-GFCCVEGCSA-N 0 0 194.274 2.775 10 0 AFAERN CC[C@@H](CC1CC1)n1cn[nH]c1=S 69667789 572132043 /nfs/dbraw/zinc/13/20/43/572132043.db2.gz WVZWYXKVKDIBFL-QMMMGPOBSA-N 0 0 197.307 2.692 10 0 AFAERN C[C@H]1CC[C@](O)(c2ccco2)C[C@@H]1C 82838847 572132058 /nfs/dbraw/zinc/13/20/58/572132058.db2.gz HPHVICRBLSODNN-JBLDHEPKSA-N 0 0 194.274 2.923 10 0 AFAERN CC[C@H](CC1CC1)n1cn[nH]c1=S 69667792 572132391 /nfs/dbraw/zinc/13/23/91/572132391.db2.gz WVZWYXKVKDIBFL-MRVPVSSYSA-N 0 0 197.307 2.692 10 0 AFAERN C[C@H]1CC[C@@](O)(c2ccco2)C[C@@H]1C 82838851 572132247 /nfs/dbraw/zinc/13/22/47/572132247.db2.gz HPHVICRBLSODNN-NHCYSSNCSA-N 0 0 194.274 2.923 10 0 AFAERN CC(=O)CCOC1C[C@@H](C)C[C@@H](C)C1 82834502 572132323 /nfs/dbraw/zinc/13/23/23/572132323.db2.gz HGZSWXDTAVBLSO-DHHPTOIESA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](CC1CC1)n1cnnc1Cl 69670366 572132472 /nfs/dbraw/zinc/13/24/72/572132472.db2.gz KNCXYSGYCJNTPQ-MRVPVSSYSA-N 0 0 199.685 2.683 10 0 AFAERN C[C@H]1CC[C@H](Nc2cn[nH]c2)C[C@@H]1C 82836356 572132650 /nfs/dbraw/zinc/13/26/50/572132650.db2.gz OTKMMZUNVDXQAX-GUBZILKMSA-N 0 0 193.294 2.646 10 0 AFAERN CC(C)[C@@]1(O)CC[C@H](C)[C@@H](C)C1 82838704 572132654 /nfs/dbraw/zinc/13/26/54/572132654.db2.gz JYFYISWAVZZGNP-GARJFASQSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H](CC1CC1)n1cnnc1Cl 69670363 572132798 /nfs/dbraw/zinc/13/27/98/572132798.db2.gz KNCXYSGYCJNTPQ-QMMMGPOBSA-N 0 0 199.685 2.683 10 0 AFAERN CC(C)[C@]1(O)CC[C@H](C)[C@@H](C)C1 82838720 572132804 /nfs/dbraw/zinc/13/28/04/572132804.db2.gz JYFYISWAVZZGNP-DCAQKATOSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@@H](C)[C@H](O)C(C)(C)OCC 300349811 572132952 /nfs/dbraw/zinc/13/29/52/572132952.db2.gz RYEOVRRNCIOZOZ-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN C[C@H]1CC[C@@H](Nc2cn[nH]c2)C[C@@H]1C 82836360 572133145 /nfs/dbraw/zinc/13/31/45/572133145.db2.gz OTKMMZUNVDXQAX-LPEHRKFASA-N 0 0 193.294 2.646 10 0 AFAERN CC(=O)CCOC1C[C@H](C)C[C@@H](C)C1 82834504 572133296 /nfs/dbraw/zinc/13/32/96/572133296.db2.gz HGZSWXDTAVBLSO-NXEZZACHSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)COC1C[C@@H](C)C[C@H](C)C1 82834527 572133319 /nfs/dbraw/zinc/13/33/19/572133319.db2.gz RHTFSQQKOJWZJF-UWVGGRQHSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@]1(C)C[C@H]1F 713219556 572133411 /nfs/dbraw/zinc/13/34/11/572133411.db2.gz VYQMIZAXSLVQJI-WCABBAIRSA-N 0 0 188.286 2.922 10 0 AFAERN C[C@H]1CC[C@@](O)(c2ccoc2)C[C@@H]1C 82838606 572133504 /nfs/dbraw/zinc/13/35/04/572133504.db2.gz CYTSVWGEPXMAFZ-NHCYSSNCSA-N 0 0 194.274 2.923 10 0 AFAERN CCC(=O)COC1C[C@H](C)C[C@@H](C)C1 82834528 572133599 /nfs/dbraw/zinc/13/35/99/572133599.db2.gz RHTFSQQKOJWZJF-NXEZZACHSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@@H]1CC(n2ccnc2)C[C@H](C)C1 82833883 572133700 /nfs/dbraw/zinc/13/37/00/572133700.db2.gz NITHGEAWJLYTPZ-ZACCUICWSA-N 0 0 178.279 2.880 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@]1(C)C[C@@H]1F 713219553 572133713 /nfs/dbraw/zinc/13/37/13/572133713.db2.gz VYQMIZAXSLVQJI-ATZCPNFKSA-N 0 0 188.286 2.922 10 0 AFAERN CC(=O)CCOC1C[C@@H](C)C[C@H](C)C1 82834503 572133768 /nfs/dbraw/zinc/13/37/68/572133768.db2.gz HGZSWXDTAVBLSO-UWVGGRQHSA-N 0 0 198.306 2.807 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@@H]1[C@H]2CCC[C@H]21 300350291 572133782 /nfs/dbraw/zinc/13/37/82/572133782.db2.gz UUMGNBLKDRHDNK-PREPNJAASA-N 0 0 182.307 2.830 10 0 AFAERN C[C@@H]1CC(n2cccn2)C[C@H](C)C1 82833877 572134562 /nfs/dbraw/zinc/13/45/62/572134562.db2.gz RBGAICDLLMSHBX-ZACCUICWSA-N 0 0 178.279 2.880 10 0 AFAERN C[C@H]1CC[C@](O)(c2ccoc2)C[C@@H]1C 82838602 572134285 /nfs/dbraw/zinc/13/42/85/572134285.db2.gz CYTSVWGEPXMAFZ-JBLDHEPKSA-N 0 0 194.274 2.923 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@@]1(C)C[C@H]1F 713219558 572134359 /nfs/dbraw/zinc/13/43/59/572134359.db2.gz VYQMIZAXSLVQJI-YWVKMMECSA-N 0 0 188.286 2.922 10 0 AFAERN CCC(=O)COC1C[C@@H](C)C[C@@H](C)C1 82834526 572134405 /nfs/dbraw/zinc/13/44/05/572134405.db2.gz RHTFSQQKOJWZJF-DHHPTOIESA-N 0 0 198.306 2.807 10 0 AFAERN CCC[C@@H](C)[C@H](O)CC(C)(C)OC 300350121 572134823 /nfs/dbraw/zinc/13/48/23/572134823.db2.gz TYUWVPJMONZTCW-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)[C@@H](C)[C@@H](O)Cc1ccsc1 69691401 572134976 /nfs/dbraw/zinc/13/49/76/572134976.db2.gz LWIUFLBDBVYTRK-KOLCDFICSA-N 0 0 198.331 2.944 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@@H]1[C@H]2CCC[C@H]21 300350290 572135005 /nfs/dbraw/zinc/13/50/05/572135005.db2.gz UUMGNBLKDRHDNK-HGCLJGPKSA-N 0 0 182.307 2.830 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)Cc1ccccc1 69691563 572135031 /nfs/dbraw/zinc/13/50/31/572135031.db2.gz RFBPGEQEIQTUPH-AAEUAGOBSA-N 0 0 192.302 2.882 10 0 AFAERN C[C@H]1CC[C@](O)(C(F)(F)F)C[C@@H]1C 82839155 572135316 /nfs/dbraw/zinc/13/53/16/572135316.db2.gz UNOXKSALOJTZPC-BIIVOSGPSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H]1CC[C@@](O)(C(F)(F)F)C[C@@H]1C 82839159 572135337 /nfs/dbraw/zinc/13/53/37/572135337.db2.gz UNOXKSALOJTZPC-FXQIFTODSA-N 0 0 196.212 2.736 10 0 AFAERN CC(C)[C@@H](C)[C@@H](O)Cc1ccccc1 69691560 572135364 /nfs/dbraw/zinc/13/53/64/572135364.db2.gz RFBPGEQEIQTUPH-YPMHNXCESA-N 0 0 192.302 2.882 10 0 AFAERN CC(C)[C@H](C)[C@H](O)Cc1ccsc1 69691398 572135382 /nfs/dbraw/zinc/13/53/82/572135382.db2.gz LWIUFLBDBVYTRK-GXSJLCMTSA-N 0 0 198.331 2.944 10 0 AFAERN CC(C)[C@@H](C)[C@H](O)Cc1ccsc1 69691396 572135581 /nfs/dbraw/zinc/13/55/81/572135581.db2.gz LWIUFLBDBVYTRK-MWLCHTKSSA-N 0 0 198.331 2.944 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@H]1CCCS1 300350562 572135735 /nfs/dbraw/zinc/13/57/35/572135735.db2.gz WQKSVIQLDKLOLV-IVZWLZJFSA-N 0 0 188.336 2.679 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@H]1CCSC1 300350581 572137579 /nfs/dbraw/zinc/13/75/79/572137579.db2.gz WTGYIUOQAIFVBG-LPEHRKFASA-N 0 0 188.336 2.537 10 0 AFAERN CCCC[C@H](O)c1cnn(C(C)C)c1 300351375 572136112 /nfs/dbraw/zinc/13/61/12/572136112.db2.gz YCEKWSCVPBUZNA-NSHDSACASA-N 0 0 196.294 2.688 10 0 AFAERN CC(C)[C@@H](C)[C@H](O)Cc1cccs1 69691439 572136191 /nfs/dbraw/zinc/13/61/91/572136191.db2.gz LFSAEMXVMPCXIR-MWLCHTKSSA-N 0 0 198.331 2.944 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@H](C)C1CC1 300350754 572136267 /nfs/dbraw/zinc/13/62/67/572136267.db2.gz XUINFZLHCIYJAX-IQJOONFLSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@H](C)[C@H](CC)[C@H](C)O 300351027 572136282 /nfs/dbraw/zinc/13/62/82/572136282.db2.gz ZSAOMPQXXGJUMV-GUBZILKMSA-N 0 0 158.285 2.830 10 0 AFAERN CCC[C@H](C)[C@@H](O)[C@H]1C[C@@H]2C[C@@H]2C1 300350512 572136349 /nfs/dbraw/zinc/13/63/49/572136349.db2.gz WGPLDBCQJLAOMU-HHHUOAJASA-N 0 0 182.307 2.830 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@H]1CCSC1 300350580 572136385 /nfs/dbraw/zinc/13/63/85/572136385.db2.gz WTGYIUOQAIFVBG-GUBZILKMSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)Cc1cccs1 69691449 572136415 /nfs/dbraw/zinc/13/64/15/572136415.db2.gz LFSAEMXVMPCXIR-ONGXEEELSA-N 0 0 198.331 2.944 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@H]1CCCS1 300350561 572136582 /nfs/dbraw/zinc/13/65/82/572136582.db2.gz WQKSVIQLDKLOLV-AEJSXWLSSA-N 0 0 188.336 2.679 10 0 AFAERN CCC[C@@H](C)[C@H](O)CSCC 300350863 572136597 /nfs/dbraw/zinc/13/65/97/572136597.db2.gz YMZUNAYBHWWJLR-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)[C@@H](C)[C@@H](O)Cc1cccs1 69691446 572136641 /nfs/dbraw/zinc/13/66/41/572136641.db2.gz LFSAEMXVMPCXIR-KOLCDFICSA-N 0 0 198.331 2.944 10 0 AFAERN CCC[C@@H](C)[C@H](NN)c1occc1C 300350504 572136842 /nfs/dbraw/zinc/13/68/42/572136842.db2.gz WEBDBGYCVWUADG-SCZZXKLOSA-N 0 0 196.294 2.529 10 0 AFAERN CCOCCNc1cccc(C)c1F 300953589 572136904 /nfs/dbraw/zinc/13/69/04/572136904.db2.gz MEPVUWPXKRMZDB-UHFFFAOYSA-N 0 0 197.253 2.583 10 0 AFAERN CC(C)[C@H](C)[C@@H](O)Cc1ccsc1 69691403 572137175 /nfs/dbraw/zinc/13/71/75/572137175.db2.gz LWIUFLBDBVYTRK-ONGXEEELSA-N 0 0 198.331 2.944 10 0 AFAERN CC(C)[C@@H](C)[C@H](O)Cc1ccccc1 69691554 572137185 /nfs/dbraw/zinc/13/71/85/572137185.db2.gz RFBPGEQEIQTUPH-DGCLKSJQSA-N 0 0 192.302 2.882 10 0 AFAERN CC(C)[C@H](C)[C@H](O)Cc1ccccc1 69691559 572137367 /nfs/dbraw/zinc/13/73/67/572137367.db2.gz RFBPGEQEIQTUPH-WCQYABFASA-N 0 0 192.302 2.882 10 0 AFAERN CC(C)[C@H](C)[C@H](O)Cc1cccs1 69691441 572137662 /nfs/dbraw/zinc/13/76/62/572137662.db2.gz LFSAEMXVMPCXIR-GXSJLCMTSA-N 0 0 198.331 2.944 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@H](C)C1CC1 300350755 572137671 /nfs/dbraw/zinc/13/76/71/572137671.db2.gz XUINFZLHCIYJAX-NGZCFLSTSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@@H](C)[C@H](O)CCCOCC 300350711 572138014 /nfs/dbraw/zinc/13/80/14/572138014.db2.gz XOAMMEIHTUZTMC-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@H]1C[C@@H]2C[C@@H]2C1 300350513 572138034 /nfs/dbraw/zinc/13/80/34/572138034.db2.gz WGPLDBCQJLAOMU-SVNGYHJRSA-N 0 0 182.307 2.830 10 0 AFAERN CC[C@H]1CCC[C@H](C(=O)C(C)(C)O)C1 234063034 572140621 /nfs/dbraw/zinc/14/06/21/572140621.db2.gz PWTOGWNNMNQIOZ-UWVGGRQHSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](C)CC(=O)[C@@H]1CCO[C@H]1CC 300373395 572141436 /nfs/dbraw/zinc/14/14/36/572141436.db2.gz GTQBLDDICLAMHV-NHCYSSNCSA-N 0 0 198.306 2.807 10 0 AFAERN c1ccc2c(c1)CC[NH2+][C@H]2c1ccoc1 69758211 572142427 /nfs/dbraw/zinc/14/24/27/572142427.db2.gz JPAXWAVQOCMTDS-ZDUSSCGKSA-N 0 0 199.253 2.515 10 0 AFAERN CC[C@H](C)CC(=O)[C@H]1CCO[C@H]1CC 300373396 572142277 /nfs/dbraw/zinc/14/22/77/572142277.db2.gz GTQBLDDICLAMHV-UMNHJUIQSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H]1OCC[C@H]1C(=O)CCC1CC1 300375441 572142884 /nfs/dbraw/zinc/14/28/84/572142884.db2.gz ITTCCDXVQXBGCZ-JQWIXIFHSA-N 0 0 196.290 2.561 10 0 AFAERN CCCC[C@H](NN)c1ccoc1CC 300373845 572142908 /nfs/dbraw/zinc/14/29/08/572142908.db2.gz HISMSQOKYYDIPR-JTQLQIEISA-N 0 0 196.294 2.537 10 0 AFAERN CC[C@H](O)[C@@H]1CC(C)(C)C[C@@H]1C 234060932 572143391 /nfs/dbraw/zinc/14/33/91/572143391.db2.gz YAFTVTQZIRGECD-AEJSXWLSSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](O)CCCc1ccsc1 69766517 572144301 /nfs/dbraw/zinc/14/43/01/572144301.db2.gz KGLXXEVOFLQQOE-JTQLQIEISA-N 0 0 184.304 2.842 10 0 AFAERN C[C@H](O)[C@@H](C)CCc1ccsc1 69766540 572144005 /nfs/dbraw/zinc/14/40/05/572144005.db2.gz KPDWNXJQEYENGI-IUCAKERBSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@@H](O)CCCc1ccsc1 69766520 572144018 /nfs/dbraw/zinc/14/40/18/572144018.db2.gz KGLXXEVOFLQQOE-SNVBAGLBSA-N 0 0 184.304 2.842 10 0 AFAERN CC(=O)[C@@H](C)CCc1ccsc1 69765153 572144159 /nfs/dbraw/zinc/14/41/59/572144159.db2.gz RXDVJNZJMSXNRO-QMMMGPOBSA-N 0 0 182.288 2.906 10 0 AFAERN C[C@@H](O)[C@H](C)CCc1ccsc1 69766537 572144202 /nfs/dbraw/zinc/14/42/02/572144202.db2.gz KPDWNXJQEYENGI-RKDXNWHRSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@@H]1OCC[C@H]1C(=O)CC1CCC1 300376388 572144233 /nfs/dbraw/zinc/14/42/33/572144233.db2.gz JQFFRVLJVYXASW-JQWIXIFHSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H](CCc1ccsc1)[C@@H](C)O 69766535 572144284 /nfs/dbraw/zinc/14/42/84/572144284.db2.gz KPDWNXJQEYENGI-DTWKUNHWSA-N 0 0 184.304 2.698 10 0 AFAERN CC(=O)[C@H](C)CCc1ccsc1 69765155 572144291 /nfs/dbraw/zinc/14/42/91/572144291.db2.gz RXDVJNZJMSXNRO-MRVPVSSYSA-N 0 0 182.288 2.906 10 0 AFAERN O[C@@H](CCCc1ccsc1)C1CC1 69766586 572144320 /nfs/dbraw/zinc/14/43/20/572144320.db2.gz VVPXLVOBPMAVRQ-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CCCC[C@H](C)c1cnc(CNC)o1 300957103 572146278 /nfs/dbraw/zinc/14/62/78/572146278.db2.gz PUXYHDFLRWXWTB-VIFPVBQESA-N 0 0 196.294 2.688 10 0 AFAERN Cc1cccc(OC2CCCC2)c1N 35283630 572146409 /nfs/dbraw/zinc/14/64/09/572146409.db2.gz RMNICDYQOBIPMF-UHFFFAOYSA-N 0 0 191.274 2.899 10 0 AFAERN CCCC[C@@H](C)c1cnc(CNC)o1 300957099 572146673 /nfs/dbraw/zinc/14/66/73/572146673.db2.gz PUXYHDFLRWXWTB-SECBINFHSA-N 0 0 196.294 2.688 10 0 AFAERN CCC(=O)CO[C@@H]1CC[C@@H](C)[C@H](C)C1 82841031 572149205 /nfs/dbraw/zinc/14/92/05/572149205.db2.gz GKCFYHAGOSYECQ-CKYFFXLPSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cccc(-c2cccnc2N)c1C 69841521 572147934 /nfs/dbraw/zinc/14/79/34/572147934.db2.gz UQVDOAKDZXAKJK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(=O)CCO[C@@H]1CC[C@@H](C)[C@@H](C)C1 82840955 572149230 /nfs/dbraw/zinc/14/92/30/572149230.db2.gz XVNAPMMBKPSNGR-JFGNBEQYSA-N 0 0 198.306 2.807 10 0 AFAERN CCC[C@H](C)Cc1cccnc1N 69841452 572148496 /nfs/dbraw/zinc/14/84/96/572148496.db2.gz JRLJGORQSAKBNU-VIFPVBQESA-N 0 0 178.279 2.643 10 0 AFAERN CN(C)c1cccc2c(O)cccc12 35288100 572148513 /nfs/dbraw/zinc/14/85/13/572148513.db2.gz VCQYBGKTUNHQPD-UHFFFAOYSA-N 0 0 187.242 2.611 10 0 AFAERN CCC[C@@H](C)Cc1cccnc1N 69841450 572148654 /nfs/dbraw/zinc/14/86/54/572148654.db2.gz JRLJGORQSAKBNU-SECBINFHSA-N 0 0 178.279 2.643 10 0 AFAERN Cc1cc(C)cc(-c2cccnc2N)c1 69841356 572148669 /nfs/dbraw/zinc/14/86/69/572148669.db2.gz KBWUOECKEKOQIS-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN COCCCC[C@](C)(O)C(C)(C)C 686326620 572148671 /nfs/dbraw/zinc/14/86/71/572148671.db2.gz RCGQXRKDWDEGLI-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN Cc1ccc(-c2cccnc2N)c(C)c1 69841455 572148983 /nfs/dbraw/zinc/14/89/83/572148983.db2.gz WCCCVBSVLIAOLT-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(=O)CCO[C@H]1CC[C@@H](C)[C@@H](C)C1 82840952 572149186 /nfs/dbraw/zinc/14/91/86/572149186.db2.gz XVNAPMMBKPSNGR-SCVCMEIPSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)[C@H](C)O[C@H]1CC[C@@H](C)[C@@H](C)C1 82841019 572149143 /nfs/dbraw/zinc/14/91/43/572149143.db2.gz APLKEOBEXVJKIZ-QCZKYFFMSA-N 0 0 198.306 2.805 10 0 AFAERN CCc1ccc(-c2cccnc2N)cc1 69841389 572149400 /nfs/dbraw/zinc/14/94/00/572149400.db2.gz AOHYLDHTXPDTAP-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN COCCCC[C@@](C)(O)C(C)(C)C 686326619 572149590 /nfs/dbraw/zinc/14/95/90/572149590.db2.gz RCGQXRKDWDEGLI-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CCC(=O)CO[C@@H]1CC[C@H](C)[C@H](C)C1 82841026 572149914 /nfs/dbraw/zinc/14/99/14/572149914.db2.gz GKCFYHAGOSYECQ-HOSYDEDBSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ccc(-c2cccnc2N)cc1C 69841477 572149888 /nfs/dbraw/zinc/14/98/88/572149888.db2.gz PNYIOAIULPMEQU-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C[C@H]1CC[C@]2(CC(=O)CCO2)C[C@@H]1C 82839443 572149971 /nfs/dbraw/zinc/14/99/71/572149971.db2.gz MVDUYQAZLDJMAQ-JBLDHEPKSA-N 0 0 196.290 2.561 10 0 AFAERN CCCC[C@@](C)(O)CCCCOC 686326802 572150807 /nfs/dbraw/zinc/15/08/07/572150807.db2.gz OLZFHKPQBIQZAM-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN C[C@H]1CC[C@@]2(CC(=O)CCO2)C[C@@H]1C 82839446 572150992 /nfs/dbraw/zinc/15/09/92/572150992.db2.gz MVDUYQAZLDJMAQ-NHCYSSNCSA-N 0 0 196.290 2.561 10 0 AFAERN CC(=O)CCO[C@@H]1CC[C@H](C)[C@@H](C)C1 82840958 572151155 /nfs/dbraw/zinc/15/11/55/572151155.db2.gz XVNAPMMBKPSNGR-JBLDHEPKSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](C)C[C@]1(CC)CC(=O)CCO1 69853062 572151273 /nfs/dbraw/zinc/15/12/73/572151273.db2.gz SMBXFSLZIZPYNR-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H](C)C[C@]1(CC)CC(=O)CCO1 69853060 572151364 /nfs/dbraw/zinc/15/13/64/572151364.db2.gz SMBXFSLZIZPYNR-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC[C@@]1(CC)CC(=O)CCO1 69853298 572151367 /nfs/dbraw/zinc/15/13/67/572151367.db2.gz TUPQLHOXIDKAFM-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CC[C@@H](C)C[C@@]1(CC)CC(=O)CCO1 69853066 572151687 /nfs/dbraw/zinc/15/16/87/572151687.db2.gz SMBXFSLZIZPYNR-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1cccc(O)c1C1CC1 18340829 572151794 /nfs/dbraw/zinc/15/17/94/572151794.db2.gz VOTBOJTZXSPBTK-UHFFFAOYSA-N 0 0 148.205 2.578 10 0 AFAERN CCCC[C@](C)(O)CCCCOC 686326803 572151816 /nfs/dbraw/zinc/15/18/16/572151816.db2.gz OLZFHKPQBIQZAM-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCCC[C@]1(CC)CC(=O)CCO1 69853297 572152255 /nfs/dbraw/zinc/15/22/55/572152255.db2.gz TUPQLHOXIDKAFM-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN CCCC1(CCC)CC(=O)CCO1 69853283 572152304 /nfs/dbraw/zinc/15/23/04/572152304.db2.gz OAOXLVVWDLVUCO-UHFFFAOYSA-N 0 0 184.279 2.705 10 0 AFAERN CCCOCC(=O)C1CCC(C)CC1 82849234 572152373 /nfs/dbraw/zinc/15/23/73/572152373.db2.gz YZTWYBZOALWUOV-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN C[C@H]1CC[C@H](n2ccnc2)C[C@@H]1C 82844865 572152449 /nfs/dbraw/zinc/15/24/49/572152449.db2.gz PCQMJCZZHHJVOB-DCAQKATOSA-N 0 0 178.279 2.880 10 0 AFAERN CCCCCC[C@H]1CC(=O)CCO1 69850999 572152540 /nfs/dbraw/zinc/15/25/40/572152540.db2.gz HJCLRUJCAGCWQN-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)C(=O)N[C@H]1CC[C@H](C)[C@@H](C)C1 82848168 572152667 /nfs/dbraw/zinc/15/26/67/572152667.db2.gz BTKLZUGZRSHRNS-DCAQKATOSA-N 0 0 197.322 2.583 10 0 AFAERN CCOC(=O)N[C@@H]1CCC[C@@H](CC)C1 82848213 572152690 /nfs/dbraw/zinc/15/26/90/572152690.db2.gz RSUZICCOQHBTTP-NXEZZACHSA-N 0 0 199.294 2.701 10 0 AFAERN C[C@H]1CC[C@H]([NH2+]CC(F)F)C[C@@H]1C 82846316 572152716 /nfs/dbraw/zinc/15/27/16/572152716.db2.gz RFRUVPLZSBIFOM-CIUDSAMLSA-N 0 0 191.265 2.666 10 0 AFAERN CC[C@H]1CCC[C@@H](c2nc(O)c[nH]2)C1 234064904 572152835 /nfs/dbraw/zinc/15/28/35/572152835.db2.gz VTDTVORBKSVPOZ-DTWKUNHWSA-N 0 0 194.278 2.799 10 0 AFAERN C[C@H]1CC[C@H](SCCO)C[C@@H]1C 82842398 572152851 /nfs/dbraw/zinc/15/28/51/572152851.db2.gz UZWCQKAQVBQTRH-GUBZILKMSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@H]1CC[C@@H](CCCO)C[C@@H]1C 82845481 572152916 /nfs/dbraw/zinc/15/29/16/572152916.db2.gz VHEVMUXEXIABJG-GARJFASQSA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@H](C)C[C@@]1(CC)CC(=O)CCO1 69853069 572153022 /nfs/dbraw/zinc/15/30/22/572153022.db2.gz SMBXFSLZIZPYNR-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCCC[C@@H]1CC(=O)CCO1 69850998 572153046 /nfs/dbraw/zinc/15/30/46/572153046.db2.gz HJCLRUJCAGCWQN-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN C[C@H]1CC[C@@H](n2cccn2)C[C@@H]1C 82844858 572153050 /nfs/dbraw/zinc/15/30/50/572153050.db2.gz QEZYVRSUBCNBEE-GARJFASQSA-N 0 0 178.279 2.880 10 0 AFAERN CCOC(=O)N[C@@H]1CCC[C@H](CC)C1 82848214 572153061 /nfs/dbraw/zinc/15/30/61/572153061.db2.gz RSUZICCOQHBTTP-VHSXEESVSA-N 0 0 199.294 2.701 10 0 AFAERN COCCC(=O)[C@H]1CC[C@H](C)[C@@H](C)C1 82843243 572153088 /nfs/dbraw/zinc/15/30/88/572153088.db2.gz GMIGFMJXTMNZDE-DCAQKATOSA-N 0 0 198.306 2.664 10 0 AFAERN COCCC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 82843245 572153091 /nfs/dbraw/zinc/15/30/91/572153091.db2.gz GMIGFMJXTMNZDE-OUAUKWLOSA-N 0 0 198.306 2.664 10 0 AFAERN CC(=O)[C@H]1CC[C@H](C)[C@@H](C)C1 82843169 572153099 /nfs/dbraw/zinc/15/30/99/572153099.db2.gz SCAOCHRMIQUIAJ-NRPADANISA-N 0 0 154.253 2.648 10 0 AFAERN CCOC(=O)N[C@H]1CCC[C@H](CC)C1 82848212 572153103 /nfs/dbraw/zinc/15/31/03/572153103.db2.gz RSUZICCOQHBTTP-UWVGGRQHSA-N 0 0 199.294 2.701 10 0 AFAERN CCC[C@H](C)C(=O)[C@H]1CCO[C@H]1CC 300387082 572153121 /nfs/dbraw/zinc/15/31/21/572153121.db2.gz SAABBGCQIUCCKS-DCAQKATOSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@@](O)(c1cccs1)C(F)(F)F 43368132 572153184 /nfs/dbraw/zinc/15/31/84/572153184.db2.gz OKLANYIINUBJKL-ZCFIWIBFSA-N 0 0 196.193 2.518 10 0 AFAERN CCC[C@H](C)C(=O)[C@@H]1CCO[C@H]1CC 300387081 572153185 /nfs/dbraw/zinc/15/31/85/572153185.db2.gz SAABBGCQIUCCKS-AXFHLTTASA-N 0 0 198.306 2.807 10 0 AFAERN C[C@H]1CC[C@@H](C(C)(C)O)C[C@@H]1C 82842481 572153201 /nfs/dbraw/zinc/15/32/01/572153201.db2.gz CKKAAGQLTISGDO-LPEHRKFASA-N 0 0 170.296 2.830 10 0 AFAERN CCC1CCC(C(=O)CCOC)CC1 82849228 572153235 /nfs/dbraw/zinc/15/32/35/572153235.db2.gz RXFSTUULQIVWIH-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCC1CCC(SCCO)CC1 82848765 572153321 /nfs/dbraw/zinc/15/33/21/572153321.db2.gz AXXBPVRPCBBZOI-UHFFFAOYSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)C(=O)N[C@H]1CC[C@@H](C)[C@@H](C)C1 82848167 572153323 /nfs/dbraw/zinc/15/33/23/572153323.db2.gz BTKLZUGZRSHRNS-VWYCJHECSA-N 0 0 197.322 2.583 10 0 AFAERN COCCC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 82843248 572153353 /nfs/dbraw/zinc/15/33/53/572153353.db2.gz GMIGFMJXTMNZDE-GARJFASQSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@H]1CC[C@H](n2cccn2)C[C@@H]1C 82844855 572153372 /nfs/dbraw/zinc/15/33/72/572153372.db2.gz QEZYVRSUBCNBEE-DCAQKATOSA-N 0 0 178.279 2.880 10 0 AFAERN C[C@H]1CC[C@@H](n2ccnc2)C[C@@H]1C 82844868 572153485 /nfs/dbraw/zinc/15/34/85/572153485.db2.gz PCQMJCZZHHJVOB-GARJFASQSA-N 0 0 178.279 2.880 10 0 AFAERN CCO[C@H](C)C(=O)C1CCC(C)CC1 82849266 572153597 /nfs/dbraw/zinc/15/35/97/572153597.db2.gz TZZRPOGDRWBWCG-HSOILSAZSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@](O)(c1cccs1)C(F)(F)F 43368133 572153668 /nfs/dbraw/zinc/15/36/68/572153668.db2.gz OKLANYIINUBJKL-LURJTMIESA-N 0 0 196.193 2.518 10 0 AFAERN C[C@H]1CC[C@@H](SCCO)C[C@@H]1C 82842401 572153743 /nfs/dbraw/zinc/15/37/43/572153743.db2.gz UZWCQKAQVBQTRH-LPEHRKFASA-N 0 0 188.336 2.537 10 0 AFAERN CCO[C@@H](C)C(=O)C1CCC(C)CC1 82849265 572153793 /nfs/dbraw/zinc/15/37/93/572153793.db2.gz TZZRPOGDRWBWCG-YVNMAJEFSA-N 0 0 198.306 2.807 10 0 AFAERN CCC1CCC(CCCO)CC1 82856798 572153803 /nfs/dbraw/zinc/15/38/03/572153803.db2.gz MDYIOZPHXCHXFU-UHFFFAOYSA-N 0 0 170.296 2.975 10 0 AFAERN C[C@H]1CC[C@H](C(C)(C)O)C[C@@H]1C 82842477 572153996 /nfs/dbraw/zinc/15/39/96/572153996.db2.gz CKKAAGQLTISGDO-GUBZILKMSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1ccc2n1C[C@@H](C)CC2 35304977 572154048 /nfs/dbraw/zinc/15/40/48/572154048.db2.gz NUOZFCWVVVMBGK-VIFPVBQESA-N 0 0 163.264 2.633 10 0 AFAERN CCCCCC[C@@H](O)[C@@H](C)COC 69903989 572154287 /nfs/dbraw/zinc/15/42/87/572154287.db2.gz KERUSSXPHGMAHH-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCCC[C@@H](O)[C@H](C)COC 69903991 572154305 /nfs/dbraw/zinc/15/43/05/572154305.db2.gz KERUSSXPHGMAHH-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCCC[C@H](O)[C@H](C)COC 69903990 572154390 /nfs/dbraw/zinc/15/43/90/572154390.db2.gz KERUSSXPHGMAHH-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN CCOC(=O)c1ccc(C)c(C)c1C 34770492 572154508 /nfs/dbraw/zinc/15/45/08/572154508.db2.gz HPCWXQCSZRDRCR-UHFFFAOYSA-N 0 0 192.258 2.789 10 0 AFAERN CCc1ccc2n1C[C@H](C)CC2 35304975 572154548 /nfs/dbraw/zinc/15/45/48/572154548.db2.gz NUOZFCWVVVMBGK-SECBINFHSA-N 0 0 163.264 2.633 10 0 AFAERN C[C@H]1CC[C@@H](C)[C@H](Nc2cn[nH]c2)C1 82858427 572154789 /nfs/dbraw/zinc/15/47/89/572154789.db2.gz DBKQCAGKEUMVAU-IQJOONFLSA-N 0 0 193.294 2.646 10 0 AFAERN C[C@H]1CCC[C@H](Nc2cn[nH]c2)[C@@H]1C 82858417 572155105 /nfs/dbraw/zinc/15/51/05/572155105.db2.gz YKWVCCBGCNKHDZ-NGZCFLSTSA-N 0 0 193.294 2.646 10 0 AFAERN S=c1[nH]cc(C[C@@H]2CC=CCC2)[nH]1 35308280 572155317 /nfs/dbraw/zinc/15/53/17/572155317.db2.gz WJOIBIXOWVEEJS-MRVPVSSYSA-N 0 0 194.303 2.971 10 0 AFAERN C[C@H]1CC[C@H](C)[C@H](Nc2cn[nH]c2)C1 82858425 572155448 /nfs/dbraw/zinc/15/54/48/572155448.db2.gz DBKQCAGKEUMVAU-ATZCPNFKSA-N 0 0 193.294 2.646 10 0 AFAERN CC[C@@H](C)[C@](C)(O)CCCCOC 686326894 572155612 /nfs/dbraw/zinc/15/56/12/572155612.db2.gz SPSGVXPZTDDMLJ-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN S=c1[nH]cc(C[C@H]2CC=CCC2)[nH]1 35308278 572155716 /nfs/dbraw/zinc/15/57/16/572155716.db2.gz WJOIBIXOWVEEJS-QMMMGPOBSA-N 0 0 194.303 2.971 10 0 AFAERN CCCCCC[C@H](O)[C@@H](C)COC 69903988 572155804 /nfs/dbraw/zinc/15/58/04/572155804.db2.gz KERUSSXPHGMAHH-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN C[C@H]1CC[C@H](C)[C@]2(CC(=O)CCO2)C1 82862305 572157397 /nfs/dbraw/zinc/15/73/97/572157397.db2.gz PDGRDLYYIBNXKP-JBLDHEPKSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)CCCCOC 686326895 572156959 /nfs/dbraw/zinc/15/69/59/572156959.db2.gz SPSGVXPZTDDMLJ-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN COC(=N)Cc1ccc(C(C)C)cc1 71505842 572157389 /nfs/dbraw/zinc/15/73/89/572157389.db2.gz CJABLIAVQIIJTM-UHFFFAOYSA-N 0 0 191.274 2.976 10 0 AFAERN C[C@H]1CCC[C@@](O)(c2ccoc2)[C@@H]1C 82861045 572157579 /nfs/dbraw/zinc/15/75/79/572157579.db2.gz CMMDMMNUJJTMGW-UMNHJUIQSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@H]1CCC[C@@](O)(C(F)(F)F)[C@@H]1C 82861919 572157667 /nfs/dbraw/zinc/15/76/67/572157667.db2.gz FUYCOQNPALUCPD-RNJXMRFFSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@H]1CC[C@H](C)[C@](O)(c2ccco2)C1 82861559 572157679 /nfs/dbraw/zinc/15/76/79/572157679.db2.gz LPLRTUKOFZUNGY-NHCYSSNCSA-N 0 0 194.274 2.923 10 0 AFAERN CCCCOC(=O)/C=C/C(C)C 114407646 572157716 /nfs/dbraw/zinc/15/77/16/572157716.db2.gz BEKMMRVHEWAYIX-VOTSOKGWSA-N 0 0 170.252 2.542 10 0 AFAERN CCCCOCc1ccc(N)cc1F 82864913 572157734 /nfs/dbraw/zinc/15/77/34/572157734.db2.gz JGJZBXMLNUUGQT-UHFFFAOYSA-N 0 0 197.253 2.725 10 0 AFAERN Cc1ccc(/C=C/CCON)cc1C 71505871 572157745 /nfs/dbraw/zinc/15/77/45/572157745.db2.gz FPFCDVARKPBUSG-HWKANZROSA-N 0 0 191.274 2.597 10 0 AFAERN CCC[C@@]1(O)CC[C@@H](C)C[C@@H]1C 82861357 572157854 /nfs/dbraw/zinc/15/78/54/572157854.db2.gz VKXPQZYOPZRMLO-OUAUKWLOSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1CC[C@H](C)[C@](O)(c2ccoc2)C1 82861427 572157919 /nfs/dbraw/zinc/15/79/19/572157919.db2.gz VGWKNSBMHIOXHJ-NHCYSSNCSA-N 0 0 194.274 2.923 10 0 AFAERN CCc1ccc(O[C@@H](C)COC)cc1 82865279 572158009 /nfs/dbraw/zinc/15/80/09/572158009.db2.gz XATYFVOYEVXKBW-JTQLQIEISA-N 0 0 194.274 2.663 10 0 AFAERN CCC[C@@]1(O)C[C@H](C)CC[C@@H]1C 82861547 572158017 /nfs/dbraw/zinc/15/80/17/572158017.db2.gz QVXVCGVVNUEOPH-OUAUKWLOSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@]1(O)CCC[C@@H](C)[C@@H]1C 82861165 572158163 /nfs/dbraw/zinc/15/81/63/572158163.db2.gz CMPBLYQDKFLFME-OUAUKWLOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@]1(O)C[C@H](C)CC[C@@H]1C 82861503 572158270 /nfs/dbraw/zinc/15/82/70/572158270.db2.gz URZIPQTWVITLNN-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1CCC[C@@](N)(C(F)(F)F)[C@@H]1C 82862231 572158293 /nfs/dbraw/zinc/15/82/93/572158293.db2.gz UQEQWPGFCGOIES-RNJXMRFFSA-N 0 0 195.228 2.702 10 0 AFAERN CC[C@H](C)[C@](C)(O)CCCCOC 686326898 572158694 /nfs/dbraw/zinc/15/86/94/572158694.db2.gz SPSGVXPZTDDMLJ-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCc1ccc(/C=C/CCON)cc1 71505870 572158329 /nfs/dbraw/zinc/15/83/29/572158329.db2.gz CXNSBMHTFVREPY-HWKANZROSA-N 0 0 191.274 2.543 10 0 AFAERN CC[C@@H](C)OCc1ccc(F)cc1N 82864663 572158335 /nfs/dbraw/zinc/15/83/35/572158335.db2.gz MRWIJHARKZBCCC-MRVPVSSYSA-N 0 0 197.253 2.723 10 0 AFAERN CC[C@@]1(O)CCC[C@H](C)[C@@H]1C 82861119 572158392 /nfs/dbraw/zinc/15/83/92/572158392.db2.gz JMEQNSZOBPJETH-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1CCC[C@](O)(c2ccco2)[C@@H]1C 82861175 572158412 /nfs/dbraw/zinc/15/84/12/572158412.db2.gz GQHQQLQSZNVIEI-HOSYDEDBSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@H]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 82861911 572158454 /nfs/dbraw/zinc/15/84/54/572158454.db2.gz BVZUCYNHZFIXMR-RNJXMRFFSA-N 0 0 196.212 2.736 10 0 AFAERN CCC[C@@]1(O)CCC[C@H](C)[C@@H]1C 82861163 572158470 /nfs/dbraw/zinc/15/84/70/572158470.db2.gz CMPBLYQDKFLFME-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1nc(-c2coc3ccccc23)n[nH]1 69910569 572158513 /nfs/dbraw/zinc/15/85/13/572158513.db2.gz BKPZFEQEWMNCBL-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN C[C@H]1CCC[C@@]2(CC(=O)CCO2)[C@@H]1C 82862315 572158515 /nfs/dbraw/zinc/15/85/15/572158515.db2.gz NBDVQVFJWAVWMW-HOSYDEDBSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1CCC[C@](O)(C(F)(F)F)[C@@H]1C 82861917 572158528 /nfs/dbraw/zinc/15/85/28/572158528.db2.gz FUYCOQNPALUCPD-XLPZGREQSA-N 0 0 196.212 2.736 10 0 AFAERN CCC[C@@]1(O)C[C@@H](C)CC[C@@H]1C 82861549 572158553 /nfs/dbraw/zinc/15/85/53/572158553.db2.gz QVXVCGVVNUEOPH-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)OCc1ccc(N)cc1F 82864924 572158612 /nfs/dbraw/zinc/15/86/12/572158612.db2.gz DUXTWVJESHVVPE-QMMMGPOBSA-N 0 0 197.253 2.723 10 0 AFAERN CCc1ccc(O[C@H](C)COC)cc1 82865280 572158690 /nfs/dbraw/zinc/15/86/90/572158690.db2.gz XATYFVOYEVXKBW-SNVBAGLBSA-N 0 0 194.274 2.663 10 0 AFAERN C[C@H]1CCC[C@]2(CC(=O)CCO2)[C@@H]1C 82862313 572158707 /nfs/dbraw/zinc/15/87/07/572158707.db2.gz NBDVQVFJWAVWMW-UMNHJUIQSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@@]1(O)C[C@@H](C)CC[C@@H]1C 82861505 572158738 /nfs/dbraw/zinc/15/87/38/572158738.db2.gz URZIPQTWVITLNN-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CCc1ccc(CCC(=N)OC)cc1 71505818 572158746 /nfs/dbraw/zinc/15/87/46/572158746.db2.gz KGECBKZMKJECLK-UHFFFAOYSA-N 0 0 191.274 2.805 10 0 AFAERN CC[C@@H](C)OCc1ccc(N)cc1F 82864923 572158751 /nfs/dbraw/zinc/15/87/51/572158751.db2.gz DUXTWVJESHVVPE-MRVPVSSYSA-N 0 0 197.253 2.723 10 0 AFAERN CC[C@@]1(O)CC[C@@H](C)C[C@@H]1C 82861313 572158797 /nfs/dbraw/zinc/15/87/97/572158797.db2.gz XSGFJIFCZVFPJV-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1CC[C@@H](C)[C@]2(CC(=O)CCO2)C1 82862307 572158946 /nfs/dbraw/zinc/15/89/46/572158946.db2.gz PDGRDLYYIBNXKP-HOSYDEDBSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1CCC[C@](O)(c2ccoc2)[C@@H]1C 82861043 572158998 /nfs/dbraw/zinc/15/89/98/572158998.db2.gz CMMDMMNUJJTMGW-HOSYDEDBSA-N 0 0 194.274 2.923 10 0 AFAERN CC(C)COCc1ccc(F)cc1N 82864648 572159068 /nfs/dbraw/zinc/15/90/68/572159068.db2.gz YUIYMJZDSWXOSJ-UHFFFAOYSA-N 0 0 197.253 2.581 10 0 AFAERN CC[C@@]1(O)CCC[C@@H](C)[C@@H]1C 82861121 572159074 /nfs/dbraw/zinc/15/90/74/572159074.db2.gz JMEQNSZOBPJETH-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)OCc1ccc(F)cc1N 82864664 572159103 /nfs/dbraw/zinc/15/91/03/572159103.db2.gz MRWIJHARKZBCCC-QMMMGPOBSA-N 0 0 197.253 2.723 10 0 AFAERN Cc1ccc(-c2c(C)ccnc2N)cc1 69942707 572160445 /nfs/dbraw/zinc/16/04/45/572160445.db2.gz YOAKUYAWONCVKS-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(/C=C/CCON)c(C)c1 71505889 572159132 /nfs/dbraw/zinc/15/91/32/572159132.db2.gz DKGFVLSZSRLCJA-HWKANZROSA-N 0 0 191.274 2.597 10 0 AFAERN CC(C)COCc1ccc(N)cc1F 82864899 572159185 /nfs/dbraw/zinc/15/91/85/572159185.db2.gz ICCVTVKGEMWMNR-UHFFFAOYSA-N 0 0 197.253 2.581 10 0 AFAERN C[C@H]1CC[C@@H](C)[C@](O)(c2ccco2)C1 82861561 572159220 /nfs/dbraw/zinc/15/92/20/572159220.db2.gz LPLRTUKOFZUNGY-UMNHJUIQSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@H]1CC[C@H](C)[C@](N)(C(F)(F)F)C1 82862225 572159245 /nfs/dbraw/zinc/15/92/45/572159245.db2.gz KIZSUQBGINOKLR-FXQIFTODSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@H]1CC[C@@H](C)[C@](N)(C(F)(F)F)C1 82862227 572159286 /nfs/dbraw/zinc/15/92/86/572159286.db2.gz KIZSUQBGINOKLR-RNJXMRFFSA-N 0 0 195.228 2.702 10 0 AFAERN CCCCOCc1ccc(F)cc1N 82864661 572159290 /nfs/dbraw/zinc/15/92/90/572159290.db2.gz FEZLPEIGLXMDKZ-UHFFFAOYSA-N 0 0 197.253 2.725 10 0 AFAERN CC[C@H](C)[C@@](C)(O)CCCCOC 686326897 572159352 /nfs/dbraw/zinc/15/93/52/572159352.db2.gz SPSGVXPZTDDMLJ-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN Cc1ccc(Cc2ccnc(N)c2)cc1 69942581 572159365 /nfs/dbraw/zinc/15/93/65/572159365.db2.gz UIBWEVFTLBHDLP-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CCc1ccccc1O[C@@H](C)COC 82865317 572160143 /nfs/dbraw/zinc/16/01/43/572160143.db2.gz UWQVKAIIPWUGON-JTQLQIEISA-N 0 0 194.274 2.663 10 0 AFAERN CCC[C@@H]1C[C@@H]1n1cccc1C=O 300390968 572160276 /nfs/dbraw/zinc/16/02/76/572160276.db2.gz UZNNCMQUGUQESM-KOLCDFICSA-N 0 0 177.247 2.662 10 0 AFAERN CCc1ccccc1OCCCOC 82865311 572160727 /nfs/dbraw/zinc/16/07/27/572160727.db2.gz XOYQVWIAQJNCLF-UHFFFAOYSA-N 0 0 194.274 2.664 10 0 AFAERN CCc1ccccc1OCC(F)F 82865327 572160794 /nfs/dbraw/zinc/16/07/94/572160794.db2.gz XKPSXSBBSVHPPH-UHFFFAOYSA-N 0 0 186.201 2.893 10 0 AFAERN COC[C@H](C)Oc1ccc(C)cc1C 82865355 572161302 /nfs/dbraw/zinc/16/13/02/572161302.db2.gz ZFIAEVXNZWYYTA-NSHDSACASA-N 0 0 194.274 2.717 10 0 AFAERN CCc1cccc(O[C@H](C)COC)c1 82865298 572161363 /nfs/dbraw/zinc/16/13/63/572161363.db2.gz CFHMQYOJVYMAMQ-SNVBAGLBSA-N 0 0 194.274 2.663 10 0 AFAERN Cc1ccccc1Cc1ccnc(N)c1 69942575 572161365 /nfs/dbraw/zinc/16/13/65/572161365.db2.gz CQBKTDVFIYLZFI-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Cc1cccc(Cc2ccnc(N)c2)c1 69942510 572161420 /nfs/dbraw/zinc/16/14/20/572161420.db2.gz UMNLVAFFELXZPM-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Nc1cc(O)ccc1-c1ccccc1 35330180 572161558 /nfs/dbraw/zinc/16/15/58/572161558.db2.gz UTZCAFLHEIHVBP-UHFFFAOYSA-N 0 0 185.226 2.641 10 0 AFAERN COC[C@@H](C)Oc1ccc(C)cc1C 82865356 572161877 /nfs/dbraw/zinc/16/18/77/572161877.db2.gz ZFIAEVXNZWYYTA-LLVKDONJSA-N 0 0 194.274 2.717 10 0 AFAERN CCCC[C@H](C)Nc1nncs1 69966628 572161975 /nfs/dbraw/zinc/16/19/75/572161975.db2.gz OKXAADZGPFYDDG-ZETCQYMHSA-N 0 0 185.296 2.529 10 0 AFAERN Oc1cccc(OCCCCF)c1 82006509 572161994 /nfs/dbraw/zinc/16/19/94/572161994.db2.gz VEVSKHFFAMAOOH-UHFFFAOYSA-N 0 0 184.210 2.521 10 0 AFAERN Cc1cnc(N)c(-c2ccccc2C)c1 69943225 572162580 /nfs/dbraw/zinc/16/25/80/572162580.db2.gz QHCYSYPKZINYSR-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC[C@@H]1OCC[C@H]1C(=O)CCC(C)C 300392472 572162117 /nfs/dbraw/zinc/16/21/17/572162117.db2.gz YWJYRGBIJLGTMD-JQWIXIFHSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](C)C[C@H](O)c1ccoc1 69946224 572162134 /nfs/dbraw/zinc/16/21/34/572162134.db2.gz HQJOHTXQTGPMPF-WPRPVWTQSA-N 0 0 168.236 2.749 10 0 AFAERN CC(C)CC[C@H](C)Nc1nncs1 69967006 572162160 /nfs/dbraw/zinc/16/21/60/572162160.db2.gz BVZXUVUVYAYNJP-QMMMGPOBSA-N 0 0 199.323 2.775 10 0 AFAERN CCC[C@H](CC)Nc1nncs1 69966606 572162248 /nfs/dbraw/zinc/16/22/48/572162248.db2.gz AGLAKTGFSBNAIN-ZETCQYMHSA-N 0 0 185.296 2.529 10 0 AFAERN CC[C@@H](C)CCc1cccnc1N 69944229 572162309 /nfs/dbraw/zinc/16/23/09/572162309.db2.gz ZKJFZKDZLLCNIC-SECBINFHSA-N 0 0 178.279 2.643 10 0 AFAERN CCCc1nccn1[C@@H](C)CC 69964007 572162370 /nfs/dbraw/zinc/16/23/70/572162370.db2.gz SCTKHXDBRMFGHZ-VIFPVBQESA-N 0 0 166.268 2.807 10 0 AFAERN CCC(CC)[C@@H](C)Nc1nncs1 69966982 572162610 /nfs/dbraw/zinc/16/26/10/572162610.db2.gz CLHKMGUXHFNCBD-SSDOTTSWSA-N 0 0 199.323 2.775 10 0 AFAERN CC[C@H](CC1CC1)Nc1nncs1 69967040 572162712 /nfs/dbraw/zinc/16/27/12/572162712.db2.gz PVUDQCGRVOHWHC-MRVPVSSYSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1cccc(C(=O)c2ccn(C)c2)c1 71507871 572162735 /nfs/dbraw/zinc/16/27/35/572162735.db2.gz ARKQMBHHHRCYRA-UHFFFAOYSA-N 0 0 199.253 2.565 10 0 AFAERN CC[C@H](C)CCc1cccnc1N 69944230 572162758 /nfs/dbraw/zinc/16/27/58/572162758.db2.gz ZKJFZKDZLLCNIC-VIFPVBQESA-N 0 0 178.279 2.643 10 0 AFAERN CC[C@@H](C)CC(=O)c1ccoc1 69946141 572163210 /nfs/dbraw/zinc/16/32/10/572163210.db2.gz GXGHYECJRAIZJG-MRVPVSSYSA-N 0 0 166.220 2.899 10 0 AFAERN CC(C)CC[C@@H](C)Nc1nncs1 69967003 572163485 /nfs/dbraw/zinc/16/34/85/572163485.db2.gz BVZXUVUVYAYNJP-MRVPVSSYSA-N 0 0 199.323 2.775 10 0 AFAERN CC[C@H](C)CC(=O)c1ccoc1 69946142 572163719 /nfs/dbraw/zinc/16/37/19/572163719.db2.gz GXGHYECJRAIZJG-QMMMGPOBSA-N 0 0 166.220 2.899 10 0 AFAERN FCc1ccccc1Cl 81915259 572164067 /nfs/dbraw/zinc/16/40/67/572164067.db2.gz ITCNFMBEYSJBQH-UHFFFAOYSA-N 0 0 144.576 2.810 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1ccoc1 69946226 572163984 /nfs/dbraw/zinc/16/39/84/572163984.db2.gz HQJOHTXQTGPMPF-PSASIEDQSA-N 0 0 168.236 2.749 10 0 AFAERN O=C(CCc1ccccc1)c1cc[nH]c1 71507873 572164062 /nfs/dbraw/zinc/16/40/62/572164062.db2.gz HNSNUULJZAWWMH-UHFFFAOYSA-N 0 0 199.253 2.830 10 0 AFAERN CCCCC[C@H](C)Nc1nncs1 69966244 572164333 /nfs/dbraw/zinc/16/43/33/572164333.db2.gz AXHHGUIBNYYUEG-QMMMGPOBSA-N 0 0 199.323 2.919 10 0 AFAERN Cc1ccc(-c2cc(C)cnc2N)cc1 69943230 572164386 /nfs/dbraw/zinc/16/43/86/572164386.db2.gz UCEXAOKNNQFZBI-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC(CC)[C@H](C)Nc1nncs1 69966983 572164530 /nfs/dbraw/zinc/16/45/30/572164530.db2.gz CLHKMGUXHFNCBD-ZETCQYMHSA-N 0 0 199.323 2.775 10 0 AFAERN CCCCC[C@@H](C)Nc1nncs1 69966241 572164554 /nfs/dbraw/zinc/16/45/54/572164554.db2.gz AXHHGUIBNYYUEG-MRVPVSSYSA-N 0 0 199.323 2.919 10 0 AFAERN CCCc1nccn1[C@H](C)CC 69964011 572164559 /nfs/dbraw/zinc/16/45/59/572164559.db2.gz SCTKHXDBRMFGHZ-SECBINFHSA-N 0 0 166.268 2.807 10 0 AFAERN CC[C@@H](CC1CC1)Nc1nncs1 69967034 572164616 /nfs/dbraw/zinc/16/46/16/572164616.db2.gz PVUDQCGRVOHWHC-QMMMGPOBSA-N 0 0 197.307 2.529 10 0 AFAERN CCCSC[C@H](O)c1ccccc1 37507095 572165306 /nfs/dbraw/zinc/16/53/06/572165306.db2.gz MIJWLAXZZYFPQU-NSHDSACASA-N 0 0 196.315 2.863 10 0 AFAERN CSCCC(=O)c1ccc(C)o1 69984143 572165508 /nfs/dbraw/zinc/16/55/08/572165508.db2.gz YPFVMXKAVSAYQB-UHFFFAOYSA-N 0 0 184.260 2.524 10 0 AFAERN CCCC[C@H](C)[C@@H](CCCC)NN 300959248 572165570 /nfs/dbraw/zinc/16/55/70/572165570.db2.gz QELJEBJKVOCGNJ-WDEREUQCSA-N 0 0 186.343 2.835 10 0 AFAERN CCCCCCn1cn[nH]c1=S 70020217 572166143 /nfs/dbraw/zinc/16/61/43/572166143.db2.gz VTYCPYUNPZWSFE-UHFFFAOYSA-N 0 0 185.296 2.521 10 0 AFAERN CCCSC[C@@H](O)c1ccccc1 37507096 572165789 /nfs/dbraw/zinc/16/57/89/572165789.db2.gz MIJWLAXZZYFPQU-LLVKDONJSA-N 0 0 196.315 2.863 10 0 AFAERN CCC(C)(C)C(=O)CCSC 69984083 572165790 /nfs/dbraw/zinc/16/57/90/572165790.db2.gz CFGPIDNXWNGUQT-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CCC/C=C(/CO)C(C)(C)C 18696066 572165795 /nfs/dbraw/zinc/16/57/95/572165795.db2.gz SDHFVQKHMOBTAN-CLFYSBASSA-N 0 0 156.269 2.751 10 0 AFAERN CC(C)SC[C@@H](O)c1ccccc1 37507098 572165802 /nfs/dbraw/zinc/16/58/02/572165802.db2.gz MNGNCJBSDYEAEJ-LLVKDONJSA-N 0 0 196.315 2.862 10 0 AFAERN Cc1ccc(C(=O)c2ccoc2)cc1 35368986 572165853 /nfs/dbraw/zinc/16/58/53/572165853.db2.gz QCDYXRKPVMFWNO-UHFFFAOYSA-N 0 0 186.210 2.819 10 0 AFAERN CCCC[C@@H](C)[C@@H](CCCC)NN 300959245 572165874 /nfs/dbraw/zinc/16/58/74/572165874.db2.gz QELJEBJKVOCGNJ-GHMZBOCLSA-N 0 0 186.343 2.835 10 0 AFAERN CSCC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 69984655 572166001 /nfs/dbraw/zinc/16/60/01/572166001.db2.gz IDNPEGANWPBDSU-AEJSXWLSSA-N 0 0 198.331 2.745 10 0 AFAERN C/C=C/C[C@H](CO)C(C)(C)C 18687962 572166071 /nfs/dbraw/zinc/16/60/71/572166071.db2.gz WSJYHCZKXMZHAX-VUHVRTRXSA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)CCC(=O)[C@@H]1CCSC1 69983935 572166085 /nfs/dbraw/zinc/16/60/85/572166085.db2.gz YHTODSQATOKQAY-SECBINFHSA-N 0 0 186.320 2.745 10 0 AFAERN CCCCCC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 69975509 572166193 /nfs/dbraw/zinc/16/61/93/572166193.db2.gz UMMGOPDWNAEILW-FOGDFJRCSA-N 0 0 196.290 2.703 10 0 AFAERN CSCCC(=O)CC(C)(C)C 69984432 572166223 /nfs/dbraw/zinc/16/62/23/572166223.db2.gz BAGHMTFSPALODR-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CCC[C@H](C)C(=O)[C@H]1CCCS1 69985264 572166627 /nfs/dbraw/zinc/16/66/27/572166627.db2.gz HEWRSUZYJNRNMQ-DTWKUNHWSA-N 0 0 186.320 2.887 10 0 AFAERN CCCCCCn1c(C)n[nH]c1=S 70020220 572166661 /nfs/dbraw/zinc/16/66/61/572166661.db2.gz MYPVOHLKRZHTDY-UHFFFAOYSA-N 0 0 199.323 2.829 10 0 AFAERN CSCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 69984354 572166685 /nfs/dbraw/zinc/16/66/85/572166685.db2.gz NPEVTPNHBIMFMJ-IVZWLZJFSA-N 0 0 198.331 2.745 10 0 AFAERN CCC(CC)C(=O)[C@@H]1CCCS1 69985041 572166793 /nfs/dbraw/zinc/16/67/93/572166793.db2.gz CXOBLGAJQWVJJA-VIFPVBQESA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)CCC(=O)[C@@H]1CCCS1 69985119 572166863 /nfs/dbraw/zinc/16/68/63/572166863.db2.gz UMPMRNMUVTYDBY-JTQLQIEISA-N 0 0 186.320 2.887 10 0 AFAERN CSCC(=O)CCC1CCCC1 69984681 572166877 /nfs/dbraw/zinc/16/68/77/572166877.db2.gz FDDOSHJQLSMRSM-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CSCC(=O)C[C@H](C)C(C)(C)C 69984517 572166923 /nfs/dbraw/zinc/16/69/23/572166923.db2.gz AHLWLLWGONKGHL-QMMMGPOBSA-N 0 0 188.336 2.991 10 0 AFAERN CCC(CC)C(=O)CCSC 69984306 572166950 /nfs/dbraw/zinc/16/69/50/572166950.db2.gz ISSSDGVXPWVNEC-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CCC[C@@H](C)C(=O)CCSC 69984438 572166957 /nfs/dbraw/zinc/16/69/57/572166957.db2.gz XAKUAYPRCNITMH-MRVPVSSYSA-N 0 0 174.309 2.745 10 0 AFAERN CCC(CC)C(=O)[C@H]1CCSC1 69983857 572166962 /nfs/dbraw/zinc/16/69/62/572166962.db2.gz IWQATGYGIGDPGD-VIFPVBQESA-N 0 0 186.320 2.745 10 0 AFAERN C[C@H](O)CC(C)(C)C1CCC1 18676889 572166996 /nfs/dbraw/zinc/16/69/96/572166996.db2.gz QXRPBJIAFXJCFM-QMMMGPOBSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)CCC(=O)[C@H]1CCCS1 69985122 572167011 /nfs/dbraw/zinc/16/70/11/572167011.db2.gz UMPMRNMUVTYDBY-SNVBAGLBSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)CCC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 69975422 572167035 /nfs/dbraw/zinc/16/70/35/572167035.db2.gz TXWQRGZHWDFQKZ-SCVCMEIPSA-N 0 0 196.290 2.559 10 0 AFAERN CSCCC(=O)CC1CCCC1 69984367 572167076 /nfs/dbraw/zinc/16/70/76/572167076.db2.gz YNTYPHGLWYBQIR-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN C/C=C/C[C@@H](CO)C(C)(C)C 18687960 572167128 /nfs/dbraw/zinc/16/71/28/572167128.db2.gz WSJYHCZKXMZHAX-CYNONHLPSA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)=C[C@@](C)(O)C1CCC1 18678510 572167153 /nfs/dbraw/zinc/16/71/53/572167153.db2.gz MAABUPODYVLHSW-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN CSCCC(=O)C1CCCCC1 69984207 572167200 /nfs/dbraw/zinc/16/72/00/572167200.db2.gz IRJKZYMCWKRRPF-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CCC(CC)C(=O)[C@H]1CCCS1 69985042 572167205 /nfs/dbraw/zinc/16/72/05/572167205.db2.gz CXOBLGAJQWVJJA-SECBINFHSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)CCC(=O)[C@H]1CCSC1 69983937 572167229 /nfs/dbraw/zinc/16/72/29/572167229.db2.gz YHTODSQATOKQAY-VIFPVBQESA-N 0 0 186.320 2.745 10 0 AFAERN CCCCCCNc1nncs1 70020132 572167306 /nfs/dbraw/zinc/16/73/06/572167306.db2.gz SATDYHLGDJQTPB-UHFFFAOYSA-N 0 0 185.296 2.530 10 0 AFAERN CCC[C@@H](C)C(=O)[C@@H]1CCCS1 69985257 572167379 /nfs/dbraw/zinc/16/73/79/572167379.db2.gz HEWRSUZYJNRNMQ-BDAKNGLRSA-N 0 0 186.320 2.887 10 0 AFAERN CCCCCCn1cnnc1Cl 70020451 572167393 /nfs/dbraw/zinc/16/73/93/572167393.db2.gz RUJSTIJVELOUOU-UHFFFAOYSA-N 0 0 187.674 2.512 10 0 AFAERN CSCCC(=O)c1cc(C)oc1C 69984158 572167385 /nfs/dbraw/zinc/16/73/85/572167385.db2.gz JSWWXCDZGXNGSO-UHFFFAOYSA-N 0 0 198.287 2.832 10 0 AFAERN CSCCC(=O)c1ccoc1C 69984170 572167413 /nfs/dbraw/zinc/16/74/13/572167413.db2.gz LYXBMNMBAPNSIN-UHFFFAOYSA-N 0 0 184.260 2.524 10 0 AFAERN CSCCC(=O)c1occc1C 69984104 572167479 /nfs/dbraw/zinc/16/74/79/572167479.db2.gz RWXRLHXHYJMHKN-UHFFFAOYSA-N 0 0 184.260 2.524 10 0 AFAERN C[C@H](O)/C=C/C=C\C(C)(C)C 82100538 572167514 /nfs/dbraw/zinc/16/75/14/572167514.db2.gz XXMGWFJXZGIYDK-XLFPHCRLSA-N 0 0 154.253 2.526 10 0 AFAERN CC(C)SC[C@H](O)c1ccccc1 37507097 572167532 /nfs/dbraw/zinc/16/75/32/572167532.db2.gz MNGNCJBSDYEAEJ-NSHDSACASA-N 0 0 196.315 2.862 10 0 AFAERN CSCC(=O)C[C@@H](C)C(C)(C)C 69984520 572167688 /nfs/dbraw/zinc/16/76/88/572167688.db2.gz AHLWLLWGONKGHL-MRVPVSSYSA-N 0 0 188.336 2.991 10 0 AFAERN CSCCC(=O)CCC(C)C 69984372 572167700 /nfs/dbraw/zinc/16/77/00/572167700.db2.gz LKUFEJKRYYYMAB-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CC(C)c1ccc(N(C)C#N)cc1 37625893 572167704 /nfs/dbraw/zinc/16/77/04/572167704.db2.gz UNNFVNIEBGQHDT-UHFFFAOYSA-N 0 0 174.247 2.727 10 0 AFAERN C(=C\c1cnccn1)\c1ccccc1 82076623 572167712 /nfs/dbraw/zinc/16/77/12/572167712.db2.gz UCDVGYTWCYDSRU-SREVYHEPSA-N 0 0 182.226 2.647 10 0 AFAERN CCCCCC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 69975504 572167713 /nfs/dbraw/zinc/16/77/13/572167713.db2.gz UMMGOPDWNAEILW-SCVCMEIPSA-N 0 0 196.290 2.703 10 0 AFAERN CSCCC(=O)[C@H](C)C(C)C 69984285 572167748 /nfs/dbraw/zinc/16/77/48/572167748.db2.gz YPUXQQTVLLIIEK-MRVPVSSYSA-N 0 0 174.309 2.601 10 0 AFAERN CSCCC(=O)CCc1ccco1 69984150 572167795 /nfs/dbraw/zinc/16/77/95/572167795.db2.gz IFLFHLJZDNDXCY-UHFFFAOYSA-N 0 0 198.287 2.534 10 0 AFAERN O[C@H]1CCC[C@H]1CCCCCF 393346078 572168122 /nfs/dbraw/zinc/16/81/22/572168122.db2.gz CYRQRSBNYHIEEF-ZJUUUORDSA-N 0 0 174.259 2.677 10 0 AFAERN CCC[C@H](C)C(=O)c1ccc(N)cc1 70041783 572168322 /nfs/dbraw/zinc/16/83/22/572168322.db2.gz BOCXOMNHEMLSNV-VIFPVBQESA-N 0 0 191.274 2.888 10 0 AFAERN CCCCS[C@H]1CCC(=O)[C@H]1C 83000402 572168502 /nfs/dbraw/zinc/16/85/02/572168502.db2.gz OHUVZAMWQOQTEI-SCZZXKLOSA-N 0 0 186.320 2.887 10 0 AFAERN CCCCC(=O)c1ccc(N)c(F)c1 70041955 572168587 /nfs/dbraw/zinc/16/85/87/572168587.db2.gz JLKKLMOSXVOWHV-UHFFFAOYSA-N 0 0 195.237 2.781 10 0 AFAERN CC[C@H]1CCCC[C@H]1C(=O)C(C)(C)O 234068455 572168642 /nfs/dbraw/zinc/16/86/42/572168642.db2.gz QIJVMPBMUIGHCC-VHSXEESVSA-N 0 0 198.306 2.543 10 0 AFAERN C/C=C\[C@H](O)/C(=C\C)[Si](C)(C)C 393345936 572168701 /nfs/dbraw/zinc/16/87/01/572168701.db2.gz BGKVOUWENULNJJ-GMYKSLDYSA-N 0 0 184.355 2.747 10 0 AFAERN CSC[C@H](C)C(=O)CCCCF 393345826 572168745 /nfs/dbraw/zinc/16/87/45/572168745.db2.gz AMSWKVFUSGGJJG-QMMMGPOBSA-N 0 0 192.299 2.694 10 0 AFAERN O[C@@H](CCc1ccccc1)CC1CC1 82999819 572168866 /nfs/dbraw/zinc/16/88/66/572168866.db2.gz PMAHDABXSQTZTB-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN O[C@@H]1CCC[C@H]1CCCCCF 393346075 572168933 /nfs/dbraw/zinc/16/89/33/572168933.db2.gz CYRQRSBNYHIEEF-NXEZZACHSA-N 0 0 174.259 2.677 10 0 AFAERN COc1cccc([C@H](O)CC2CC2)c1 82999764 572169014 /nfs/dbraw/zinc/16/90/14/572169014.db2.gz XNVLCVNFRMMIQK-GFCCVEGCSA-N 0 0 192.258 2.529 10 0 AFAERN CC(C)CC[C@@H](O)CC1CC1 82999830 572169043 /nfs/dbraw/zinc/16/90/43/572169043.db2.gz YAKYLXVCELOANN-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CCCCS[C@@H]1CCC(=O)[C@@H]1C 83000399 572169050 /nfs/dbraw/zinc/16/90/50/572169050.db2.gz OHUVZAMWQOQTEI-WCBMZHEXSA-N 0 0 186.320 2.887 10 0 AFAERN CCCCC(=O)c1ccc(N)cc1C 70042307 572169071 /nfs/dbraw/zinc/16/90/71/572169071.db2.gz NZCOHSXCNDAYPA-UHFFFAOYSA-N 0 0 191.274 2.950 10 0 AFAERN CC(C)CONCCCC(C)(C)C 300959839 572169206 /nfs/dbraw/zinc/16/92/06/572169206.db2.gz YJLPQUNAWHDHFQ-UHFFFAOYSA-N 0 0 187.327 2.990 10 0 AFAERN O[C@H](CCc1ccccc1)CC1CC1 82999820 572169291 /nfs/dbraw/zinc/16/92/91/572169291.db2.gz PMAHDABXSQTZTB-CYBMUJFWSA-N 0 0 190.286 2.780 10 0 AFAERN CSC[C@@H](C)C(=O)CCCCF 393345825 572169299 /nfs/dbraw/zinc/16/92/99/572169299.db2.gz AMSWKVFUSGGJJG-MRVPVSSYSA-N 0 0 192.299 2.694 10 0 AFAERN CC(C)CC[C@H](O)CC1CC1 82999829 572169316 /nfs/dbraw/zinc/16/93/16/572169316.db2.gz YAKYLXVCELOANN-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN COc1cccc(C(=O)CC2CC2)c1 82999641 572169335 /nfs/dbraw/zinc/16/93/35/572169335.db2.gz FPZKVHVFDBLJBW-UHFFFAOYSA-N 0 0 190.242 2.678 10 0 AFAERN COc1cccc([C@@H](O)CC2CC2)c1 82999765 572169449 /nfs/dbraw/zinc/16/94/49/572169449.db2.gz XNVLCVNFRMMIQK-LBPRGKRZSA-N 0 0 192.258 2.529 10 0 AFAERN C/C=C(/[C@@H](O)/C=C/C)[Si](C)(C)C 393345938 572169547 /nfs/dbraw/zinc/16/95/47/572169547.db2.gz BGKVOUWENULNJJ-VMQFHCAPSA-N 0 0 184.355 2.747 10 0 AFAERN CC[C@@H](C)S[C@@H]1CCC(=O)[C@@H]1C 83000466 572169639 /nfs/dbraw/zinc/16/96/39/572169639.db2.gz SGSHUZPSFHISAE-KHQFGBGNSA-N 0 0 186.320 2.886 10 0 AFAERN CC[C@@H](N)c1nc2ccc(C)cc2o1 35411549 572169816 /nfs/dbraw/zinc/16/98/16/572169816.db2.gz RSRJEAQVOJRTQM-MRVPVSSYSA-N 0 0 190.246 2.546 10 0 AFAERN C/C=C\[C@H](O)/C(=C/C)[Si](C)(C)C 393345933 572169976 /nfs/dbraw/zinc/16/99/76/572169976.db2.gz BGKVOUWENULNJJ-GIDFQHMDSA-N 0 0 184.355 2.747 10 0 AFAERN COc1ccccc1[C@@H](O)CC1CC1 82999761 572169940 /nfs/dbraw/zinc/16/99/40/572169940.db2.gz VUNROTAQYLVJMY-NSHDSACASA-N 0 0 192.258 2.529 10 0 AFAERN COc1ccccc1[C@H](O)CC1CC1 82999760 572169968 /nfs/dbraw/zinc/16/99/68/572169968.db2.gz VUNROTAQYLVJMY-LLVKDONJSA-N 0 0 192.258 2.529 10 0 AFAERN CC[C@@H](C)S[C@H]1CCC(=O)[C@@H]1C 83000468 572170403 /nfs/dbraw/zinc/17/04/03/572170403.db2.gz SGSHUZPSFHISAE-WEDXCCLWSA-N 0 0 186.320 2.886 10 0 AFAERN CCC[C@@H](C)C(=O)c1ccc(N)cc1 70041781 572170553 /nfs/dbraw/zinc/17/05/53/572170553.db2.gz BOCXOMNHEMLSNV-SECBINFHSA-N 0 0 191.274 2.888 10 0 AFAERN CCCCS[C@H]1CCC(=O)[C@@H]1C 83000400 572170697 /nfs/dbraw/zinc/17/06/97/572170697.db2.gz OHUVZAMWQOQTEI-WPRPVWTQSA-N 0 0 186.320 2.887 10 0 AFAERN CC[C@H](N)c1nc2ccc(C)cc2o1 35411548 572170748 /nfs/dbraw/zinc/17/07/48/572170748.db2.gz RSRJEAQVOJRTQM-QMMMGPOBSA-N 0 0 190.246 2.546 10 0 AFAERN CCCCN(C)c1cc(N)cc(F)c1 37666579 572171621 /nfs/dbraw/zinc/17/16/21/572171621.db2.gz IOELJTCCPYMKFA-UHFFFAOYSA-N 0 0 196.269 2.644 10 0 AFAERN C1=C(OC2CC2)CCCC1 18858377 572172069 /nfs/dbraw/zinc/17/20/69/572172069.db2.gz BUVHVGOIELCYCF-UHFFFAOYSA-N 0 0 138.210 2.623 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)C1=CCCCO1 300960771 572174151 /nfs/dbraw/zinc/17/41/51/572174151.db2.gz QWYMTNRRFJWUEC-ZYHUDNBSSA-N 0 0 198.306 2.724 10 0 AFAERN CCCCSc1nccc(C)c1N 70063272 572174224 /nfs/dbraw/zinc/17/42/24/572174224.db2.gz WXOUNLPUJVNOQI-UHFFFAOYSA-N 0 0 196.319 2.864 10 0 AFAERN CC[C@H]([NH2+]C)c1cc(F)ccc1F 35468618 572174353 /nfs/dbraw/zinc/17/43/53/572174353.db2.gz LIDAKBHXVMDKKN-JTQLQIEISA-N 0 0 185.217 2.635 10 0 AFAERN CCCCCOc1nccc(C)c1N 70063218 572174637 /nfs/dbraw/zinc/17/46/37/572174637.db2.gz MPQYSTJGXHZIKL-UHFFFAOYSA-N 0 0 194.278 2.541 10 0 AFAERN CC[C@@H]([NH2+]C)c1cc(F)ccc1F 35468619 572174750 /nfs/dbraw/zinc/17/47/50/572174750.db2.gz LIDAKBHXVMDKKN-SNVBAGLBSA-N 0 0 185.217 2.635 10 0 AFAERN CCC[C@@H](C)C(=O)[C@H](C)CC(C)=O 394138952 572174872 /nfs/dbraw/zinc/17/48/72/572174872.db2.gz IUYDXQPUIHJARH-RKDXNWHRSA-N 0 0 184.279 2.607 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)C1=CCCCO1 300960765 572174955 /nfs/dbraw/zinc/17/49/55/572174955.db2.gz QWYMTNRRFJWUEC-CMPLNLGQSA-N 0 0 198.306 2.724 10 0 AFAERN CCC[C@H](C)C(=O)[C@@H](C)CC(C)=O 394138948 572174993 /nfs/dbraw/zinc/17/49/93/572174993.db2.gz IUYDXQPUIHJARH-IUCAKERBSA-N 0 0 184.279 2.607 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)C1=CCCCO1 300960769 572175010 /nfs/dbraw/zinc/17/50/10/572175010.db2.gz QWYMTNRRFJWUEC-PWSUYJOCSA-N 0 0 198.306 2.724 10 0 AFAERN CC(=O)CCCCSC(C)C 37687574 572175313 /nfs/dbraw/zinc/17/53/13/572175313.db2.gz SKMZDINSSXUGRN-UHFFFAOYSA-N 0 0 174.309 2.887 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)C1=CCCCO1 300960767 572175390 /nfs/dbraw/zinc/17/53/90/572175390.db2.gz QWYMTNRRFJWUEC-JQWIXIFHSA-N 0 0 198.306 2.724 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1ccccc1N 82924958 572175743 /nfs/dbraw/zinc/17/57/43/572175743.db2.gz RESANYVAMATVKM-JOYOIKCWSA-N 0 0 193.290 2.738 10 0 AFAERN CC(C)SCC(=O)c1ccco1 37687602 572175772 /nfs/dbraw/zinc/17/57/72/572175772.db2.gz IQULHPUFOADCRU-UHFFFAOYSA-N 0 0 184.260 2.604 10 0 AFAERN CCc1ccc(OCC2CC2)c(N)c1 70063323 572175781 /nfs/dbraw/zinc/17/57/81/572175781.db2.gz PLRWOHYGVCSSIB-UHFFFAOYSA-N 0 0 191.274 2.620 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1ccccc1N 82924957 572176037 /nfs/dbraw/zinc/17/60/37/572176037.db2.gz RESANYVAMATVKM-BXKDBHETSA-N 0 0 193.290 2.738 10 0 AFAERN CCCCC[C@@H](O)c1ccccc1N 82924924 572176229 /nfs/dbraw/zinc/17/62/29/572176229.db2.gz MIQZHGXCUOGSNI-GFCCVEGCSA-N 0 0 193.290 2.883 10 0 AFAERN CC[C@@H](C)CC(=O)c1ccccc1N 82924893 572176286 /nfs/dbraw/zinc/17/62/86/572176286.db2.gz MLFZNZZEGUCVFY-SECBINFHSA-N 0 0 191.274 2.888 10 0 AFAERN C/C(=C/CCCO)[Si](C)(C)C 205060913 572176333 /nfs/dbraw/zinc/17/63/33/572176333.db2.gz PTCQFLLHHKRXGB-CLFYSBASSA-N 0 0 172.344 2.583 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1ccccc1N 82924955 572176472 /nfs/dbraw/zinc/17/64/72/572176472.db2.gz RESANYVAMATVKM-SKDRFNHKSA-N 0 0 193.290 2.738 10 0 AFAERN CCCCC[C@H](O)c1ccccc1N 82924923 572176686 /nfs/dbraw/zinc/17/66/86/572176686.db2.gz MIQZHGXCUOGSNI-LBPRGKRZSA-N 0 0 193.290 2.883 10 0 AFAERN CC(C)CC[C@H](O)c1ccccc1N 82924925 572176762 /nfs/dbraw/zinc/17/67/62/572176762.db2.gz ZNBBAHHNBHHEDP-LBPRGKRZSA-N 0 0 193.290 2.738 10 0 AFAERN OC1(CCn2cccc2)CCCCC1 404238439 572177321 /nfs/dbraw/zinc/17/73/21/572177321.db2.gz VFNDFBRWQLKVFY-UHFFFAOYSA-N 0 0 193.290 2.573 10 0 AFAERN CC[C@H](C)CC(=O)c1ccccc1N 82924894 572177575 /nfs/dbraw/zinc/17/75/75/572177575.db2.gz MLFZNZZEGUCVFY-VIFPVBQESA-N 0 0 191.274 2.888 10 0 AFAERN CN[C@@H](c1cccs1)C(F)(F)F 35487886 572177757 /nfs/dbraw/zinc/17/77/57/572177757.db2.gz JOPZBBOBXGMPSW-LURJTMIESA-N 0 0 195.209 2.571 10 0 AFAERN Cc1cccc(C(C)(C)[C@@H](C)O)c1 84334272 572177789 /nfs/dbraw/zinc/17/77/89/572177789.db2.gz RUJUKTCKHFOWKB-SNVBAGLBSA-N 0 0 178.275 2.653 10 0 AFAERN CC[C@H](C)C[C@H](O)c1ccccc1N 82924956 572177825 /nfs/dbraw/zinc/17/78/25/572177825.db2.gz RESANYVAMATVKM-CABZTGNLSA-N 0 0 193.290 2.738 10 0 AFAERN CC(C)CC[C@@H](O)c1ccccc1N 82924926 572177910 /nfs/dbraw/zinc/17/79/10/572177910.db2.gz ZNBBAHHNBHHEDP-GFCCVEGCSA-N 0 0 193.290 2.738 10 0 AFAERN CC(=O)C1(c2cc(C)cc(C)c2)CC1 84348394 572177987 /nfs/dbraw/zinc/17/79/87/572177987.db2.gz KIXNQSBSLXSDCL-UHFFFAOYSA-N 0 0 188.270 2.924 10 0 AFAERN CC(C)CCC(=O)c1ccccc1N 82924863 572178162 /nfs/dbraw/zinc/17/81/62/572178162.db2.gz GIUVVHKBQOEWRG-UHFFFAOYSA-N 0 0 191.274 2.888 10 0 AFAERN Cc1cccc(C(C)(C)[C@H](C)O)c1 84334275 572178753 /nfs/dbraw/zinc/17/87/53/572178753.db2.gz RUJUKTCKHFOWKB-JTQLQIEISA-N 0 0 178.275 2.653 10 0 AFAERN CCCCS[C@H]1CCCC[C@H]1O 37697331 572179165 /nfs/dbraw/zinc/17/91/65/572179165.db2.gz CNPZRROKTDCHCN-ZJUUUORDSA-N 0 0 188.336 2.823 10 0 AFAERN CC1C(=S)Nc2ccccc21 206477938 572179219 /nfs/dbraw/zinc/17/92/19/572179219.db2.gz XOYIEISLCXIHPS-UHFFFAOYSA-N 0 0 163.245 2.765 10 0 AFAERN CCC(=O)[C@@H](C)Oc1ccccc1F 82948445 572180788 /nfs/dbraw/zinc/18/07/88/572180788.db2.gz COOAONYGNOPORC-MRVPVSSYSA-N 0 0 196.221 2.572 10 0 AFAERN CCC(=O)[C@H](C)O[C@@H](C)CC(C)C 82948363 572179353 /nfs/dbraw/zinc/17/93/53/572179353.db2.gz XCLAUIOULAOWIL-UWVGGRQHSA-N 0 0 186.295 2.805 10 0 AFAERN CCC(=O)[C@@H](C)O[C@@H]1CCCC[C@@H]1C 82948326 572179409 /nfs/dbraw/zinc/17/94/09/572179409.db2.gz DVMNMUOARISEIL-HOSYDEDBSA-N 0 0 198.306 2.949 10 0 AFAERN CCCCS[C@@H]1CCCC[C@H]1O 37697330 572179439 /nfs/dbraw/zinc/17/94/39/572179439.db2.gz CNPZRROKTDCHCN-NXEZZACHSA-N 0 0 188.336 2.823 10 0 AFAERN CCC(O)(CC)Cc1cc(C)co1 84337033 572179497 /nfs/dbraw/zinc/17/94/97/572179497.db2.gz HKYXUPMABODRHP-UHFFFAOYSA-N 0 0 182.263 2.682 10 0 AFAERN CCC(=O)[C@@H](C)Oc1cccc(C)c1 82948461 572180796 /nfs/dbraw/zinc/18/07/96/572180796.db2.gz JJIXENQKSVFUET-SNVBAGLBSA-N 0 0 192.258 2.741 10 0 AFAERN CCC(=O)[C@@H](C)Oc1ccc(F)cc1 82948468 572179699 /nfs/dbraw/zinc/17/96/99/572179699.db2.gz IHONMMUWXUNVEF-MRVPVSSYSA-N 0 0 196.221 2.572 10 0 AFAERN CC[C@H](O)[C@H]1CC(C)(C)C[C@@H]1C 234074200 572180815 /nfs/dbraw/zinc/18/08/15/572180815.db2.gz YAFTVTQZIRGECD-GUBZILKMSA-N 0 0 170.296 2.830 10 0 AFAERN CCC(=O)[C@@H](C)OC(C)(C)CC 82948529 572179812 /nfs/dbraw/zinc/17/98/12/572179812.db2.gz GUPYLTHXCWNSOW-MRVPVSSYSA-N 0 0 172.268 2.559 10 0 AFAERN CCC(=O)[C@@H](C)Oc1cccc(F)c1 82948478 572180024 /nfs/dbraw/zinc/18/00/24/572180024.db2.gz KQVDQYVOQUKNRN-MRVPVSSYSA-N 0 0 196.221 2.572 10 0 AFAERN CCC(=O)[C@H](C)OC1CCCCC1 82948393 572180136 /nfs/dbraw/zinc/18/01/36/572180136.db2.gz DQJJZYKVEQRDEF-VIFPVBQESA-N 0 0 184.279 2.703 10 0 AFAERN CCCCS[C@@H]1CCCC[C@@H]1O 37697329 572180169 /nfs/dbraw/zinc/18/01/69/572180169.db2.gz CNPZRROKTDCHCN-VHSXEESVSA-N 0 0 188.336 2.823 10 0 AFAERN CCC(=O)[C@H](C)OCCCC(C)C 82948527 572180318 /nfs/dbraw/zinc/18/03/18/572180318.db2.gz KRIPSVJYQBBTBV-JTQLQIEISA-N 0 0 186.295 2.807 10 0 AFAERN COCC(=O)CCCCC(C)(C)C 300963967 572180326 /nfs/dbraw/zinc/18/03/26/572180326.db2.gz YVVVUONZNFTIII-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCC(=O)[C@H](C)O[C@H]1CCCC[C@@H]1C 82948332 572180336 /nfs/dbraw/zinc/18/03/36/572180336.db2.gz DVMNMUOARISEIL-NHCYSSNCSA-N 0 0 198.306 2.949 10 0 AFAERN CCC(=O)[C@H](C)O[C@@H]1CCCC[C@@H]1C 82948328 572180346 /nfs/dbraw/zinc/18/03/46/572180346.db2.gz DVMNMUOARISEIL-JBLDHEPKSA-N 0 0 198.306 2.949 10 0 AFAERN CC(C)N(C)c1ccccc1[C@@H](C)O 35650468 572180378 /nfs/dbraw/zinc/18/03/78/572180378.db2.gz KTXNVOYZQCJVDL-SNVBAGLBSA-N 0 0 193.290 2.585 10 0 AFAERN CC(C)N(C)c1ccc([C@@H](C)O)cc1 35631307 572180389 /nfs/dbraw/zinc/18/03/89/572180389.db2.gz CQNXRXWCYJUONQ-SNVBAGLBSA-N 0 0 193.290 2.585 10 0 AFAERN OCCCCNc1ccc(Cl)cc1 43445366 572180401 /nfs/dbraw/zinc/18/04/01/572180401.db2.gz WGBMDPJWWCLWFF-UHFFFAOYSA-N 0 0 199.681 2.524 10 0 AFAERN CCC(=O)[C@H](C)O[C@H]1CCC[C@H](C)C1 82948542 572180450 /nfs/dbraw/zinc/18/04/50/572180450.db2.gz FWVHTRXSAYSSRH-DCAQKATOSA-N 0 0 198.306 2.949 10 0 AFAERN CCC(=O)[C@@H](C)Oc1ccccc1C 82948465 572180458 /nfs/dbraw/zinc/18/04/58/572180458.db2.gz WTUXGVHQWLNARD-SNVBAGLBSA-N 0 0 192.258 2.741 10 0 AFAERN C/C(=C\[C@@H](C)O)c1ccc(C)s1 379338664 572180636 /nfs/dbraw/zinc/18/06/36/572180636.db2.gz MRCBMLIWAOZSRC-HYDMIIDASA-N 0 0 182.288 2.841 10 0 AFAERN CC[C@@H](C)Oc1ccccc1[C@H](C)O 35626983 572180860 /nfs/dbraw/zinc/18/08/60/572180860.db2.gz IICSSDVKKKKBTM-ZJUUUORDSA-N 0 0 194.274 2.917 10 0 AFAERN NC(=O)CCCCC1CCCCC1 112933036 572180923 /nfs/dbraw/zinc/18/09/23/572180923.db2.gz SVMOVHNVMVMHNE-UHFFFAOYSA-N 0 0 183.295 2.612 10 0 AFAERN CCCCCCO[C@@H](C)C(=O)CC 82948532 572181320 /nfs/dbraw/zinc/18/13/20/572181320.db2.gz JHQANJFHENFTSI-JTQLQIEISA-N 0 0 186.295 2.951 10 0 AFAERN CCC(=O)[C@H](C)O[C@H](C)CC(C)C 82948367 572181029 /nfs/dbraw/zinc/18/10/29/572181029.db2.gz XCLAUIOULAOWIL-ZJUUUORDSA-N 0 0 186.295 2.805 10 0 AFAERN CC[C@@H](C)Oc1ccc([C@H](C)O)cc1 35626281 572181045 /nfs/dbraw/zinc/18/10/45/572181045.db2.gz XOJABSKPIMPQGS-ZJUUUORDSA-N 0 0 194.274 2.917 10 0 AFAERN CCC(=O)[C@@H](C)O[C@H](C)CC(C)C 82948365 572181327 /nfs/dbraw/zinc/18/13/27/572181327.db2.gz XCLAUIOULAOWIL-NXEZZACHSA-N 0 0 186.295 2.805 10 0 AFAERN CC[C@H](C)Oc1ccccc1[C@@H](C)O 35626981 572181115 /nfs/dbraw/zinc/18/11/15/572181115.db2.gz IICSSDVKKKKBTM-VHSXEESVSA-N 0 0 194.274 2.917 10 0 AFAERN CCC(=O)[C@H](C)Oc1ccc(F)cc1 82948470 572181124 /nfs/dbraw/zinc/18/11/24/572181124.db2.gz IHONMMUWXUNVEF-QMMMGPOBSA-N 0 0 196.221 2.572 10 0 AFAERN CC[C@H](O)c1c(C)cc(C)cc1OC 234075194 572181138 /nfs/dbraw/zinc/18/11/38/572181138.db2.gz HCQURSMULJDSHG-JTQLQIEISA-N 0 0 194.274 2.755 10 0 AFAERN CCCCCO[C@H](C)C(=O)CC 82948574 572181195 /nfs/dbraw/zinc/18/11/95/572181195.db2.gz ZRFVFGHRBDRXIV-SECBINFHSA-N 0 0 172.268 2.561 10 0 AFAERN CC[C@H](C)Oc1ccccc1[C@H](C)O 35626985 572181236 /nfs/dbraw/zinc/18/12/36/572181236.db2.gz IICSSDVKKKKBTM-UWVGGRQHSA-N 0 0 194.274 2.917 10 0 AFAERN CC[C@@H](C)Oc1ccc([C@@H](C)O)cc1 35626279 572181589 /nfs/dbraw/zinc/18/15/89/572181589.db2.gz XOJABSKPIMPQGS-NXEZZACHSA-N 0 0 194.274 2.917 10 0 AFAERN CCCCCCO[C@H](C)C(=O)CC 82948534 572181522 /nfs/dbraw/zinc/18/15/22/572181522.db2.gz JHQANJFHENFTSI-SNVBAGLBSA-N 0 0 186.295 2.951 10 0 AFAERN CC[C@@H](C)Oc1ccccc1[C@@H](C)O 35626979 572181720 /nfs/dbraw/zinc/18/17/20/572181720.db2.gz IICSSDVKKKKBTM-NXEZZACHSA-N 0 0 194.274 2.917 10 0 AFAERN CC[C@H](C)Oc1ccc([C@@H](C)O)cc1 35626280 572181727 /nfs/dbraw/zinc/18/17/27/572181727.db2.gz XOJABSKPIMPQGS-VHSXEESVSA-N 0 0 194.274 2.917 10 0 AFAERN CC[C@H](C)Oc1ccc([C@H](C)O)cc1 35626282 572181762 /nfs/dbraw/zinc/18/17/62/572181762.db2.gz XOJABSKPIMPQGS-UWVGGRQHSA-N 0 0 194.274 2.917 10 0 AFAERN CCc1cccc2[nH]cc(C=O)c12 35635691 572181872 /nfs/dbraw/zinc/18/18/72/572181872.db2.gz DORZZVLKQLKUSC-UHFFFAOYSA-N 0 0 173.215 2.543 10 0 AFAERN CCC(=O)[C@@H](C)OC1CCCCC1 82948391 572181876 /nfs/dbraw/zinc/18/18/76/572181876.db2.gz DQJJZYKVEQRDEF-SECBINFHSA-N 0 0 184.279 2.703 10 0 AFAERN CC[C@H]1CCCC[C@H]1OCCC(C)=O 70162198 572184196 /nfs/dbraw/zinc/18/41/96/572184196.db2.gz IOSOYJMOENYURX-NWDGAFQWSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)[C@H](C)Oc1ccccc1C 82948467 572181976 /nfs/dbraw/zinc/18/19/76/572181976.db2.gz WTUXGVHQWLNARD-JTQLQIEISA-N 0 0 192.258 2.741 10 0 AFAERN CCC(=O)[C@@H](C)O[C@H]1CCCC[C@@H]1C 82948330 572182079 /nfs/dbraw/zinc/18/20/79/572182079.db2.gz DVMNMUOARISEIL-UMNHJUIQSA-N 0 0 198.306 2.949 10 0 AFAERN OCCCCNc1ccccc1Cl 43445372 572182108 /nfs/dbraw/zinc/18/21/08/572182108.db2.gz JNHGVAHZKHDPQZ-UHFFFAOYSA-N 0 0 199.681 2.524 10 0 AFAERN CCC(=O)[C@H](C)Oc1cccc(F)c1 82948479 572182111 /nfs/dbraw/zinc/18/21/11/572182111.db2.gz KQVDQYVOQUKNRN-QMMMGPOBSA-N 0 0 196.221 2.572 10 0 AFAERN CCC(=O)[C@@H](C)OCCCC(C)C 82948525 572182177 /nfs/dbraw/zinc/18/21/77/572182177.db2.gz KRIPSVJYQBBTBV-SNVBAGLBSA-N 0 0 186.295 2.807 10 0 AFAERN CCC(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1 82948538 572182252 /nfs/dbraw/zinc/18/22/52/572182252.db2.gz FWVHTRXSAYSSRH-GARJFASQSA-N 0 0 198.306 2.949 10 0 AFAERN CCC(=O)[C@H](C)Oc1cccc(C)c1 82948463 572182276 /nfs/dbraw/zinc/18/22/76/572182276.db2.gz JJIXENQKSVFUET-JTQLQIEISA-N 0 0 192.258 2.741 10 0 AFAERN CC(=O)CCO[C@H]1CCCC[C@H]1C 70162203 572183750 /nfs/dbraw/zinc/18/37/50/572183750.db2.gz IUYFYSIWOVKBDN-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)[C@H](C)n1ccnc1C(C)C 82947875 572182334 /nfs/dbraw/zinc/18/23/34/572182334.db2.gz KTDJMSYNYGFBSX-VIFPVBQESA-N 0 0 194.278 2.547 10 0 AFAERN Cc1cc([C@@H](O)CCC2CC2)ccn1 235879229 572182401 /nfs/dbraw/zinc/18/24/01/572182401.db2.gz WHNMJPNMFYVAIR-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN CCC(=O)[C@@H](C)O[C@@H](C)CC(C)C 82948362 572182892 /nfs/dbraw/zinc/18/28/92/572182892.db2.gz XCLAUIOULAOWIL-VHSXEESVSA-N 0 0 186.295 2.805 10 0 AFAERN Cc1ccc(N[C@H](C)C2CC2)c(N)c1 35733427 572182932 /nfs/dbraw/zinc/18/29/32/572182932.db2.gz DJASUGIHEOUFSM-SECBINFHSA-N 0 0 190.290 2.788 10 0 AFAERN CCCCS[C@H](C)C(=O)CC 82948548 572183014 /nfs/dbraw/zinc/18/30/14/572183014.db2.gz PGPLEAKEDCOQBZ-MRVPVSSYSA-N 0 0 174.309 2.887 10 0 AFAERN CCC(=O)[C@@H](C)OC1CCC(C)CC1 82948341 572183034 /nfs/dbraw/zinc/18/30/34/572183034.db2.gz ATHBBSHAWVCORD-HSOILSAZSA-N 0 0 198.306 2.949 10 0 AFAERN CCC(=O)[C@H](C)OC1CCC(C)CC1 82948342 572183065 /nfs/dbraw/zinc/18/30/65/572183065.db2.gz ATHBBSHAWVCORD-YVNMAJEFSA-N 0 0 198.306 2.949 10 0 AFAERN C[C@H](Nc1cc[nH+]cc1)c1ccco1 35739510 572183084 /nfs/dbraw/zinc/18/30/84/572183084.db2.gz SNRKIANPEQVRSO-VIFPVBQESA-N 0 0 188.230 2.848 10 0 AFAERN C[C@@H]1CCC[C@@H](C)C1Nc1cn[nH]c1 35764029 572183089 /nfs/dbraw/zinc/18/30/89/572183089.db2.gz RXAWYRHWJNJSLG-RKDXNWHRSA-N 0 0 193.294 2.646 10 0 AFAERN CC(=O)CCO[C@@H]1CCCC[C@H]1C 70162205 572183138 /nfs/dbraw/zinc/18/31/38/572183138.db2.gz IUYFYSIWOVKBDN-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1OCCC(C)=O 70162195 572183190 /nfs/dbraw/zinc/18/31/90/572183190.db2.gz IOSOYJMOENYURX-NEPJUHHUSA-N 0 0 198.306 2.951 10 0 AFAERN Nc1cccc(-c2cccc(C=O)c2)c1 1258850 572183419 /nfs/dbraw/zinc/18/34/19/572183419.db2.gz BDYABIUWIATLLR-UHFFFAOYSA-N 0 0 197.237 2.748 10 0 AFAERN COC(=O)/C=C1\CC[C@H](C)C[C@H]1C 379339840 572184117 /nfs/dbraw/zinc/18/41/17/572184117.db2.gz OOZXUXFHMCBMTA-UUFMJPOISA-N 0 0 182.263 2.542 10 0 AFAERN CC(=O)CCOC1CCC(C)CC1 70162207 572183547 /nfs/dbraw/zinc/18/35/47/572183547.db2.gz XROHCOPUWKANGU-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)CCO[C@@H]1CCCC[C@@H]1C 70162206 572184921 /nfs/dbraw/zinc/18/49/21/572184921.db2.gz IUYFYSIWOVKBDN-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H]1CCCC[C@@H]1OCCC(C)=O 70162196 572183598 /nfs/dbraw/zinc/18/35/98/572183598.db2.gz IOSOYJMOENYURX-RYUDHWBXSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)CCOC1CCCCCC1 70162226 572183905 /nfs/dbraw/zinc/18/39/05/572183905.db2.gz NUCQISYIUYQECQ-UHFFFAOYSA-N 0 0 184.279 2.705 10 0 AFAERN COC(=O)/C=C1\CC[C@H](C)C[C@@H]1C 379339839 572184113 /nfs/dbraw/zinc/18/41/13/572184113.db2.gz OOZXUXFHMCBMTA-FANYHQJGSA-N 0 0 182.263 2.542 10 0 AFAERN CCC(=O)[C@H](C)OCc1cccs1 82954190 572184160 /nfs/dbraw/zinc/18/41/60/572184160.db2.gz UXMSAHQDZYSXMV-QMMMGPOBSA-N 0 0 198.287 2.632 10 0 AFAERN C[C@H]1CCC[C@H](C)C1Nc1cn[nH]c1 35764028 572184135 /nfs/dbraw/zinc/18/41/35/572184135.db2.gz RXAWYRHWJNJSLG-IUCAKERBSA-N 0 0 193.294 2.646 10 0 AFAERN COC(=N)CCc1ccc(Cl)cc1 71507635 572184545 /nfs/dbraw/zinc/18/45/45/572184545.db2.gz YUZBFKIGZDCJOE-UHFFFAOYSA-N 0 0 197.665 2.896 10 0 AFAERN Cc1c[nH]c(N[C@@H]2CCC[C@H](C)C2)[nH+]1 235653757 572184663 /nfs/dbraw/zinc/18/46/63/572184663.db2.gz DLOUSOCJVTYAGP-WCBMZHEXSA-N 0 0 193.294 2.709 10 0 AFAERN CCC(=O)[C@@H](C)OCC1CCCCC1 82954201 572184664 /nfs/dbraw/zinc/18/46/64/572184664.db2.gz DTWQATLNKYSABP-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H]1CCCC[C@H]1OCCC(C)=O 70162197 572184985 /nfs/dbraw/zinc/18/49/85/572184985.db2.gz IOSOYJMOENYURX-VXGBXAGGSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1ccc(N[C@@H](C)C2CC2)c(N)c1 35733426 572185073 /nfs/dbraw/zinc/18/50/73/572185073.db2.gz DJASUGIHEOUFSM-VIFPVBQESA-N 0 0 190.290 2.788 10 0 AFAERN CCC(=O)[C@H](C)OCC1CCCCC1 82954202 572185129 /nfs/dbraw/zinc/18/51/29/572185129.db2.gz DTWQATLNKYSABP-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)CCO[C@H]1CCCC[C@@H]1C 70162204 572185246 /nfs/dbraw/zinc/18/52/46/572185246.db2.gz IUYFYSIWOVKBDN-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)CONC[C@@H](C)CC(C)C 300967152 572185452 /nfs/dbraw/zinc/18/54/52/572185452.db2.gz RQUZTZQPLHINOX-NSHDSACASA-N 0 0 187.327 2.846 10 0 AFAERN COCCCNc1cc(C)ccc1F 37753752 572185755 /nfs/dbraw/zinc/18/57/55/572185755.db2.gz DLKDSFVUPWGYLL-UHFFFAOYSA-N 0 0 197.253 2.583 10 0 AFAERN C/C(=C\Cc1ccccc1)[C@H](C)O 35923589 572185771 /nfs/dbraw/zinc/18/57/71/572185771.db2.gz MUDFTHYDIDIECT-UQSGXBNBSA-N 0 0 176.259 2.556 10 0 AFAERN CP(c1ccccc1O)C(C)(C)C 35803532 572185802 /nfs/dbraw/zinc/18/58/02/572185802.db2.gz FDOOCWROMGNIKZ-UHFFFAOYSA-N 0 0 196.230 2.928 10 0 AFAERN O=Cc1cccc(C=C(F)F)c1 35881906 572185850 /nfs/dbraw/zinc/18/58/50/572185850.db2.gz CLIWWPZSISNWHD-UHFFFAOYSA-N 0 0 168.142 2.737 10 0 AFAERN O[C@H](C[C@@H]1C[C@H]1C1CC1)C1CCCC1 711922845 572185892 /nfs/dbraw/zinc/18/58/92/572185892.db2.gz UZGDGPFSWSQOPA-RWMBFGLXSA-N 0 0 194.318 2.974 10 0 AFAERN OCCCC[C@@H]1CCCC(F)(F)C1 300964979 572185919 /nfs/dbraw/zinc/18/59/19/572185919.db2.gz PXYSOWMSODWSFE-SECBINFHSA-N 0 0 192.249 2.975 10 0 AFAERN Cc1ccc([C@H]2CC[C@H](O)[C@@H]2C)cc1 83036700 572185957 /nfs/dbraw/zinc/18/59/57/572185957.db2.gz BIOGFKVECJHEIH-WXHSDQCUSA-N 0 0 190.286 2.869 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1c1ccccc1F 83035707 572186040 /nfs/dbraw/zinc/18/60/40/572186040.db2.gz VMHNDDKGDFDJMX-PTRXPTGYSA-N 0 0 194.249 2.700 10 0 AFAERN CCCCC[C@H]1CC[C@H](O)[C@@H]1C 83036866 572186081 /nfs/dbraw/zinc/18/60/81/572186081.db2.gz WZVSABFEPDJUOJ-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN COCCCNc1ccc(C)c(F)c1 37753720 572186240 /nfs/dbraw/zinc/18/62/40/572186240.db2.gz LZHSKTNGSWBMSM-UHFFFAOYSA-N 0 0 197.253 2.583 10 0 AFAERN C[C@H](NOC1CCCC1)C(C)(C)C 687711683 572186276 /nfs/dbraw/zinc/18/62/76/572186276.db2.gz JAXXFABLNQHGPP-VIFPVBQESA-N 0 0 185.311 2.885 10 0 AFAERN C[C@H]1C=Cc2cc(F)c(F)cc2[C@H]1O 35904678 572186542 /nfs/dbraw/zinc/18/65/42/572186542.db2.gz UXLMKEBTRMPSHA-KGFZYKRKSA-N 0 0 196.196 2.661 10 0 AFAERN CC(C)SCC[C@@H]1CC[C@H](O)C1 393349157 572186597 /nfs/dbraw/zinc/18/65/97/572186597.db2.gz NCNYBTLTXYFDBM-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)CC[C@H]1CC[C@H](O)[C@@H]1C 83035280 572186618 /nfs/dbraw/zinc/18/66/18/572186618.db2.gz SXWPBTQPDRPIKN-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1c1cccc(F)c1 83036856 572186672 /nfs/dbraw/zinc/18/66/72/572186672.db2.gz QRYRFYNIAVOXHJ-ZHAHWJHGSA-N 0 0 194.249 2.700 10 0 AFAERN CCCCC[C@@H]1CC[C@@H](O)[C@@H]1C 83036872 572186676 /nfs/dbraw/zinc/18/66/76/572186676.db2.gz WZVSABFEPDJUOJ-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@H]1CC[C@H](O)[C@@H]1C 83035291 572186741 /nfs/dbraw/zinc/18/67/41/572186741.db2.gz XIUQKFOTPZASTN-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1C[C@H]1c1nc2cc(N)ccc2o1 19508958 572186757 /nfs/dbraw/zinc/18/67/57/572186757.db2.gz DEZUOORUZPLVJN-HTRCEHHLSA-N 0 0 188.230 2.533 10 0 AFAERN C[C@H]1CC[C@@H](NCC(F)(F)F)[C@@H]1C 83043997 572186763 /nfs/dbraw/zinc/18/67/63/572186763.db2.gz FSVXRAPFEDIBOJ-XLPZGREQSA-N 0 0 195.228 2.573 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1c1cccs1 83036238 572186808 /nfs/dbraw/zinc/18/68/08/572186808.db2.gz XXGNVEMKJHOKKI-VGMNWLOBSA-N 0 0 182.288 2.623 10 0 AFAERN CC[C@@H](C)c1ccc(O)cc1O 35904569 572186839 /nfs/dbraw/zinc/18/68/39/572186839.db2.gz YSOHCCUHDUKAGE-SSDOTTSWSA-N 0 0 166.220 2.611 10 0 AFAERN Cc1ccc([C@H]2CC[C@@H](O)[C@@H]2C)cc1 83036705 572186976 /nfs/dbraw/zinc/18/69/76/572186976.db2.gz BIOGFKVECJHEIH-KGYLQXTDSA-N 0 0 190.286 2.869 10 0 AFAERN COCCCNc1ccc(C)cc1F 37753748 572187225 /nfs/dbraw/zinc/18/72/25/572187225.db2.gz ZHJVAQZRULKUKC-UHFFFAOYSA-N 0 0 197.253 2.583 10 0 AFAERN C[C@H]1C[C@H]1c1nc2cc(N)ccc2o1 19508960 572186938 /nfs/dbraw/zinc/18/69/38/572186938.db2.gz DEZUOORUZPLVJN-POYBYMJQSA-N 0 0 188.230 2.533 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1Cc1cccs1 83036897 572186940 /nfs/dbraw/zinc/18/69/40/572186940.db2.gz ISAZMRITVMSPEX-KKZNHRDASA-N 0 0 196.315 2.698 10 0 AFAERN Cc1nc(N)sc1SC(C)C 19509969 572187226 /nfs/dbraw/zinc/18/72/26/572187226.db2.gz CSWBATRCPXWORC-UHFFFAOYSA-N 0 0 188.321 2.534 10 0 AFAERN CC[C@H](C)c1ccc(O)cc1O 35904570 572186992 /nfs/dbraw/zinc/18/69/92/572186992.db2.gz YSOHCCUHDUKAGE-ZETCQYMHSA-N 0 0 166.220 2.611 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1C1CCCC1 83036074 572187045 /nfs/dbraw/zinc/18/70/45/572187045.db2.gz CWRKUMHPZOAKNP-MIMYLULJSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@@H](NOC1CCCC1)C(C)(C)C 687711682 572187237 /nfs/dbraw/zinc/18/72/37/572187237.db2.gz JAXXFABLNQHGPP-SECBINFHSA-N 0 0 185.311 2.885 10 0 AFAERN CCCCCC(=O)C1CCC1 83120278 572187107 /nfs/dbraw/zinc/18/71/07/572187107.db2.gz KSWNSSYSCXZWQE-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1Cc1ccccc1 83036554 572187120 /nfs/dbraw/zinc/18/71/20/572187120.db2.gz PSXMSILNKMGFHA-RTXFEEFZSA-N 0 0 190.286 2.636 10 0 AFAERN C[C@H]1CC[C@H](NCC(F)(F)F)[C@@H]1C 83043991 572187138 /nfs/dbraw/zinc/18/71/38/572187138.db2.gz FSVXRAPFEDIBOJ-RNJXMRFFSA-N 0 0 195.228 2.573 10 0 AFAERN CCc1cccc(NCCCOC)c1 37753727 572187217 /nfs/dbraw/zinc/18/72/17/572187217.db2.gz JYYNZWYBBNNZKM-UHFFFAOYSA-N 0 0 193.290 2.697 10 0 AFAERN O[C@H](C[C@@H]1C[C@@H]1C1CC1)C1CCCC1 711922850 572187448 /nfs/dbraw/zinc/18/74/48/572187448.db2.gz UZGDGPFSWSQOPA-YNEHKIRRSA-N 0 0 194.318 2.974 10 0 AFAERN Cc1cccc([C@H]2CC[C@H](O)[C@@H]2C)c1 83035690 572187529 /nfs/dbraw/zinc/18/75/29/572187529.db2.gz LXPYZDZEBGOUCL-WXHSDQCUSA-N 0 0 190.286 2.869 10 0 AFAERN CC(C)SCC[C@@H]1CC[C@@H](O)C1 393349161 572187609 /nfs/dbraw/zinc/18/76/09/572187609.db2.gz NCNYBTLTXYFDBM-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN OCCCC[C@H]1CCCC(F)(F)C1 300964980 572187619 /nfs/dbraw/zinc/18/76/19/572187619.db2.gz PXYSOWMSODWSFE-VIFPVBQESA-N 0 0 192.249 2.975 10 0 AFAERN S=c1[nH]cc(Cc2cccs2)[nH]1 35923683 572187703 /nfs/dbraw/zinc/18/77/03/572187703.db2.gz VPSLOKRFODRORN-UHFFFAOYSA-N 0 0 196.300 2.725 10 0 AFAERN C[C@H](NOC(C)(C)C)C(C)(C)C 687711675 572187741 /nfs/dbraw/zinc/18/77/41/572187741.db2.gz FBFYFWNDTHPHNR-QMMMGPOBSA-N 0 0 173.300 2.741 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1c1ccc(F)cc1 83036675 572187807 /nfs/dbraw/zinc/18/78/07/572187807.db2.gz HSNMMZPSMMJRMS-ZHAHWJHGSA-N 0 0 194.249 2.700 10 0 AFAERN C[C@@H](NOC(C)(C)C)C(C)(C)C 687711674 572187841 /nfs/dbraw/zinc/18/78/41/572187841.db2.gz FBFYFWNDTHPHNR-MRVPVSSYSA-N 0 0 173.300 2.741 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1c1ccccc1 83035222 572187843 /nfs/dbraw/zinc/18/78/43/572187843.db2.gz ZTUWIHVOPRGTNS-USWWRNFRSA-N 0 0 176.259 2.561 10 0 AFAERN CCCCC[C@H]1CC[C@@H](O)[C@@H]1C 83036874 572187846 /nfs/dbraw/zinc/18/78/46/572187846.db2.gz WZVSABFEPDJUOJ-OUAUKWLOSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1Cc1ccsc1 83035783 572187940 /nfs/dbraw/zinc/18/79/40/572187940.db2.gz POMWJGLXKODOLK-IEBDPFPHSA-N 0 0 196.315 2.698 10 0 AFAERN Cc1ccccc1[C@H]1CC[C@@H](O)[C@@H]1C 83036516 572188012 /nfs/dbraw/zinc/18/80/12/572188012.db2.gz CMBMCGYSRCRVGB-KGYLQXTDSA-N 0 0 190.286 2.869 10 0 AFAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(N)=O 35996079 572188071 /nfs/dbraw/zinc/18/80/71/572188071.db2.gz SLIAVDGEVKKHIC-LPEHRKFASA-N 0 0 199.294 2.543 10 0 AFAERN C[C@H]1C[C@@H]1c1nc2cc(N)ccc2o1 19508956 572188074 /nfs/dbraw/zinc/18/80/74/572188074.db2.gz DEZUOORUZPLVJN-XPUUQOCRSA-N 0 0 188.230 2.533 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1C1CCCCC1 83035922 572188104 /nfs/dbraw/zinc/18/81/04/572188104.db2.gz WYQSBEIANXUDHX-USWWRNFRSA-N 0 0 182.307 2.974 10 0 AFAERN CCCC[C@H](C)c1nncn1C1CC1 300968728 572188170 /nfs/dbraw/zinc/18/81/70/572188170.db2.gz ROUYOICGVNIFOW-VIFPVBQESA-N 0 0 193.294 2.907 10 0 AFAERN CC(C)SCC[C@H]1CC[C@H](O)C1 393349163 572188314 /nfs/dbraw/zinc/18/83/14/572188314.db2.gz NCNYBTLTXYFDBM-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)SCC[C@H]1CC[C@@H](O)C1 393349156 572188326 /nfs/dbraw/zinc/18/83/26/572188326.db2.gz NCNYBTLTXYFDBM-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN C/C=C(\CCCCO)[Si](C)(C)C 393349238 572188363 /nfs/dbraw/zinc/18/83/63/572188363.db2.gz NJQUSSOHMMVNRO-BJMVGYQFSA-N 0 0 186.371 2.973 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@H](CC)[C@H]1C 83050545 572188384 /nfs/dbraw/zinc/18/83/84/572188384.db2.gz FRGKOCOTGPJKNS-KXUCPTDWSA-N 0 0 199.294 2.557 10 0 AFAERN COCCCNc1cc(F)ccc1C 37753718 572188425 /nfs/dbraw/zinc/18/84/25/572188425.db2.gz QRNLRXFGWZJUHS-UHFFFAOYSA-N 0 0 197.253 2.583 10 0 AFAERN C1=C(c2ncnc3[nH]ccc23)CCC1 35962331 572188436 /nfs/dbraw/zinc/18/84/36/572188436.db2.gz XDNJTJMNBGHEHE-UHFFFAOYSA-N 0 0 185.230 2.525 10 0 AFAERN C[C@H]1CC[C@H](n2cn[nH]c2=S)[C@@H]1C 83045697 572188443 /nfs/dbraw/zinc/18/84/43/572188443.db2.gz OREJWMGOVBKRIH-RNJXMRFFSA-N 0 0 197.307 2.548 10 0 AFAERN C[C@H]1CC[C@@H](n2cn[nH]c2=S)[C@@H]1C 83045700 572188448 /nfs/dbraw/zinc/18/84/48/572188448.db2.gz OREJWMGOVBKRIH-XLPZGREQSA-N 0 0 197.307 2.548 10 0 AFAERN C[C@H]1CC[C@@H](Nc2ccccn2)[C@@H]1C 83045425 572188507 /nfs/dbraw/zinc/18/85/07/572188507.db2.gz YAYIDWAEPLJHSZ-HBNTYKKESA-N 0 0 190.290 2.928 10 0 AFAERN S=c1[nH]cc(C[C@@H]2C=CCCC2)[nH]1 35993924 572188512 /nfs/dbraw/zinc/18/85/12/572188512.db2.gz KTWMAAYEVSRUTJ-MRVPVSSYSA-N 0 0 194.303 2.971 10 0 AFAERN C[C@H]1CC[C@H](n2cccc2C=O)[C@@H]1C 83046271 572188562 /nfs/dbraw/zinc/18/85/62/572188562.db2.gz KFBBGUYNBNBRNM-UMNHJUIQSA-N 0 0 191.274 2.908 10 0 AFAERN C[C@H]1CC[C@@H](n2cccc2C=O)[C@@H]1C 83046275 572188604 /nfs/dbraw/zinc/18/86/04/572188604.db2.gz KFBBGUYNBNBRNM-HOSYDEDBSA-N 0 0 191.274 2.908 10 0 AFAERN O[C@H](c1cnc2ccccc2c1)C1CC1 37761701 572188703 /nfs/dbraw/zinc/18/87/03/572188703.db2.gz UWZVCGJVRZMFSO-ZDUSSCGKSA-N 0 0 199.253 2.678 10 0 AFAERN C[C@H]1CC[C@@H](n2cnnc2Cl)[C@@H]1C 83046670 572188754 /nfs/dbraw/zinc/18/87/54/572188754.db2.gz HPDNHDIPECHFRH-XLPZGREQSA-N 0 0 199.685 2.539 10 0 AFAERN CC[C@](C)(O)C(=O)[C@@H]1CCC[C@@H](C)C1 234081620 572188873 /nfs/dbraw/zinc/18/88/73/572188873.db2.gz VMECXZFWWJKJMD-FOGDFJRCSA-N 0 0 198.306 2.543 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@@H](CC)[C@H]1C 83050541 572188999 /nfs/dbraw/zinc/18/89/99/572188999.db2.gz FRGKOCOTGPJKNS-OPRDCNLKSA-N 0 0 199.294 2.557 10 0 AFAERN CCCC[C@@H](C)c1nncn1C1CC1 300968726 572189000 /nfs/dbraw/zinc/18/90/00/572189000.db2.gz ROUYOICGVNIFOW-SECBINFHSA-N 0 0 193.294 2.907 10 0 AFAERN C[C@H]1CC[C@@H](NC(=O)C(C)(C)C)[C@@H]1C 83046622 572189188 /nfs/dbraw/zinc/18/91/88/572189188.db2.gz QZXRWXOHEKMZCP-IVZWLZJFSA-N 0 0 197.322 2.583 10 0 AFAERN Cc1cc(C2=CCCCC2)on1 38865014 572189340 /nfs/dbraw/zinc/18/93/40/572189340.db2.gz UHESDDLXVNAQAU-UHFFFAOYSA-N 0 0 163.220 2.940 10 0 AFAERN C[C@H]1CC[C@H](Nc2nccs2)[C@@H]1C 83045553 572189348 /nfs/dbraw/zinc/18/93/48/572189348.db2.gz RJVFQGBYBVYJMU-YIZRAAEISA-N 0 0 196.319 2.990 10 0 AFAERN CC[C@](C)(O)C(=O)[C@H]1CCC[C@@H](C)C1 234081879 572189385 /nfs/dbraw/zinc/18/93/85/572189385.db2.gz VMECXZFWWJKJMD-SCVCMEIPSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H]1CC[C@@H](NC(=O)C(C)C)[C@@H]1C 83050510 572189909 /nfs/dbraw/zinc/18/99/09/572189909.db2.gz MXGYWSGQGQHFGU-OUAUKWLOSA-N 0 0 197.322 2.583 10 0 AFAERN Cc1cccc2c(Cl)nncc12 725331101 572189554 /nfs/dbraw/zinc/18/95/54/572189554.db2.gz OTGJZZHFRBSSSN-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN CCCC(=O)N[C@@H]1CC[C@H](CC)[C@@H]1C 83050475 572189579 /nfs/dbraw/zinc/18/95/79/572189579.db2.gz MSOBPQTVFWYJEB-GARJFASQSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@H]1CC[C@H](n2cnnc2Cl)[C@@H]1C 83046667 572189654 /nfs/dbraw/zinc/18/96/54/572189654.db2.gz HPDNHDIPECHFRH-RNJXMRFFSA-N 0 0 199.685 2.539 10 0 AFAERN CCCC(=O)N[C@H]1CC[C@H](CC)[C@@H]1C 83050480 572189658 /nfs/dbraw/zinc/18/96/58/572189658.db2.gz MSOBPQTVFWYJEB-DCAQKATOSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC(=O)N[C@H]1CC[C@@H](CC)[C@@H]1C 83050486 572189691 /nfs/dbraw/zinc/18/96/91/572189691.db2.gz MSOBPQTVFWYJEB-AXFHLTTASA-N 0 0 197.322 2.727 10 0 AFAERN CCCC(=O)N[C@@H]1CC[C@@H](CC)[C@@H]1C 83050483 572190031 /nfs/dbraw/zinc/19/00/31/572190031.db2.gz MSOBPQTVFWYJEB-HBNTYKKESA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H]1CC[C@H](NC(=O)C(C)C)[C@@H]1C 83050504 572190041 /nfs/dbraw/zinc/19/00/41/572190041.db2.gz MXGYWSGQGQHFGU-VWYCJHECSA-N 0 0 197.322 2.583 10 0 AFAERN c1nc(C2CCCC2)c2cc[nH]c2n1 35975778 572190111 /nfs/dbraw/zinc/19/01/11/572190111.db2.gz GLOBJHALPFWFRT-UHFFFAOYSA-N 0 0 187.246 2.616 10 0 AFAERN C[C@H]1CC[C@H](Nc2ccccn2)[C@@H]1C 83045418 572190259 /nfs/dbraw/zinc/19/02/59/572190259.db2.gz YAYIDWAEPLJHSZ-AXFHLTTASA-N 0 0 190.290 2.928 10 0 AFAERN CCCCCCC=O 112969919 572190424 /nfs/dbraw/zinc/19/04/24/572190424.db2.gz HDQDUBPEBVXIBJ-VOTSOKGWSA-N 0 0 114.188 2.638 10 0 AFAERN C[C@H]1CC[C@H](NC(=O)C(C)(C)C)[C@@H]1C 83046617 572190344 /nfs/dbraw/zinc/19/03/44/572190344.db2.gz QZXRWXOHEKMZCP-AEJSXWLSSA-N 0 0 197.322 2.583 10 0 AFAERN S=c1[nH]cc(C[C@H]2C=CCCC2)[nH]1 35993923 572190355 /nfs/dbraw/zinc/19/03/55/572190355.db2.gz KTWMAAYEVSRUTJ-QMMMGPOBSA-N 0 0 194.303 2.971 10 0 AFAERN CCC(=O)[C@H]1C[C@H]2C=C[C@@H]1CC2 35975635 572190512 /nfs/dbraw/zinc/19/05/12/572190512.db2.gz PZUSBTOJYXSMOT-AEJSXWLSSA-N 0 0 164.248 2.568 10 0 AFAERN CCCC/C=C(\C)CCO 112966441 572190526 /nfs/dbraw/zinc/19/05/26/572190526.db2.gz PJQKGOHDVPQQAA-RMKNXTFCSA-N 0 0 142.242 2.505 10 0 AFAERN C[C@H](CCO)CC1CCCCC1 112965219 572190608 /nfs/dbraw/zinc/19/06/08/572190608.db2.gz NYBPGWRNOZUYJA-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@](O)(Cc1ccccc1)C1CC1 83058328 572190619 /nfs/dbraw/zinc/19/06/19/572190619.db2.gz RFJBKKIMJICTGP-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN Cc1ccc(C(=O)[C@@H]2CC2(C)C)cn1 235887651 572190829 /nfs/dbraw/zinc/19/08/29/572190829.db2.gz CPVROPXXXLNMGE-JTQLQIEISA-N 0 0 189.258 2.619 10 0 AFAERN Clc1cccc2c(Cl)nncc12 725331106 572190833 /nfs/dbraw/zinc/19/08/33/572190833.db2.gz OUCPLWWZSWXBKZ-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN CC[C@](O)(CCC(F)(F)F)C1CC1 83058732 572190842 /nfs/dbraw/zinc/19/08/42/572190842.db2.gz JMURBAPKAZVZLG-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN CC(C)C[C@H](C)CC(=O)[C@H]1CCOC1 300971094 572190893 /nfs/dbraw/zinc/19/08/93/572190893.db2.gz SCWPPLPKBWWLGM-QWRGUYRKSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@@](O)(CCC(F)(F)F)C1CC1 83058730 572191005 /nfs/dbraw/zinc/19/10/05/572191005.db2.gz JMURBAPKAZVZLG-MRVPVSSYSA-N 0 0 196.212 2.880 10 0 AFAERN OCC1=C(Cl)CCCCCC1 207321218 572191151 /nfs/dbraw/zinc/19/11/51/572191151.db2.gz VZNVYFWHLNWJSO-UHFFFAOYSA-N 0 0 174.671 2.826 10 0 AFAERN CC(C)C[C@H](C)CC(=O)[C@@H]1CCOC1 300971095 572191399 /nfs/dbraw/zinc/19/13/99/572191399.db2.gz SCWPPLPKBWWLGM-WDEREUQCSA-N 0 0 198.306 2.664 10 0 AFAERN CCCC[N@@H+]1CCCC[C@@H]1C(=O)CC 725330245 572191573 /nfs/dbraw/zinc/19/15/73/572191573.db2.gz XCEOVAPHPFHZDH-LLVKDONJSA-N 0 0 197.322 2.620 10 0 AFAERN CC[C@@](O)(Cc1ccccc1)C1CC1 83058326 572192108 /nfs/dbraw/zinc/19/21/08/572192108.db2.gz RFJBKKIMJICTGP-CYBMUJFWSA-N 0 0 190.286 2.780 10 0 AFAERN O[C@@H](c1cnc2ccccc2c1)C1CC1 37761700 572191903 /nfs/dbraw/zinc/19/19/03/572191903.db2.gz UWZVCGJVRZMFSO-CYBMUJFWSA-N 0 0 199.253 2.678 10 0 AFAERN C[C@@H](CCO)CC1CCCCC1 112965217 572191877 /nfs/dbraw/zinc/19/18/77/572191877.db2.gz NYBPGWRNOZUYJA-JTQLQIEISA-N 0 0 170.296 2.975 10 0 AFAERN COCC(=O)C1CCCCCCC1 43504765 572191949 /nfs/dbraw/zinc/19/19/49/572191949.db2.gz ZEFTYCPLHPKELF-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCC[C@H](C)C(=O)[C@H]1CCOC[C@H]1C 300969500 572192030 /nfs/dbraw/zinc/19/20/30/572192030.db2.gz GZSMKBWEGZBMRY-AXFHLTTASA-N 0 0 198.306 2.664 10 0 AFAERN CO[C@H](C)C(=O)C[C@H](C)CC(C)C 300970202 572192049 /nfs/dbraw/zinc/19/20/49/572192049.db2.gz SBPZUMJWYMLSHQ-NXEZZACHSA-N 0 0 186.295 2.663 10 0 AFAERN CSCCCNc1ccc(C)cn1 70184893 572192122 /nfs/dbraw/zinc/19/21/22/572192122.db2.gz QXXGODJZGPDPCV-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN CO[C@H](C)C(=O)C[C@@H](C)CC(C)C 300971032 572192184 /nfs/dbraw/zinc/19/21/84/572192184.db2.gz SBPZUMJWYMLSHQ-VHSXEESVSA-N 0 0 186.295 2.663 10 0 AFAERN CCC[C@H](C)C(=O)[C@@H]1CCOC[C@@H]1C 300969503 572192577 /nfs/dbraw/zinc/19/25/77/572192577.db2.gz GZSMKBWEGZBMRY-GARJFASQSA-N 0 0 198.306 2.664 10 0 AFAERN CO[C@@H](C)C(=O)C[C@@H](C)CC(C)C 300970204 572192608 /nfs/dbraw/zinc/19/26/08/572192608.db2.gz SBPZUMJWYMLSHQ-UWVGGRQHSA-N 0 0 186.295 2.663 10 0 AFAERN CC(C)C[C@@H](C)CC(=O)[C@H]1CCOC1 300971093 572192625 /nfs/dbraw/zinc/19/26/25/572192625.db2.gz SCWPPLPKBWWLGM-MNOVXSKESA-N 0 0 198.306 2.664 10 0 AFAERN CSCCCNc1ncccc1C 70184889 572192628 /nfs/dbraw/zinc/19/26/28/572192628.db2.gz MSHXQCSUUKXROU-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN O[C@@H]1CCCCc2ccc(F)cc21 19727035 572192752 /nfs/dbraw/zinc/19/27/52/572192752.db2.gz RBNJGJFVVQNODC-LLVKDONJSA-N 0 0 180.222 2.586 10 0 AFAERN CCC[C@H](C)C(=O)[C@H]1CCOC[C@@H]1C 300969501 572192779 /nfs/dbraw/zinc/19/27/79/572192779.db2.gz GZSMKBWEGZBMRY-DCAQKATOSA-N 0 0 198.306 2.664 10 0 AFAERN CC(C)Cc1nc(Cl)sc1N 214615752 572193103 /nfs/dbraw/zinc/19/31/03/572193103.db2.gz IEMHBKKXJLOEAG-UHFFFAOYSA-N 0 0 190.699 2.577 10 0 AFAERN CC(C)(C)C(=O)NCCC1=CCCC1 228995633 572193557 /nfs/dbraw/zinc/19/35/57/572193557.db2.gz XMCSZLJYKHUINB-UHFFFAOYSA-N 0 0 195.306 2.649 10 0 AFAERN CCc1ccc2c(c1)[C@H](O)CCC2 19727025 572193653 /nfs/dbraw/zinc/19/36/53/572193653.db2.gz AZWULXYNVPIBHD-GFCCVEGCSA-N 0 0 176.259 2.619 10 0 AFAERN CCc1ccc2c(c1)[C@@H](O)CCC2 19727026 572193666 /nfs/dbraw/zinc/19/36/66/572193666.db2.gz AZWULXYNVPIBHD-LBPRGKRZSA-N 0 0 176.259 2.619 10 0 AFAERN CC[C@H](O)c1c(C)cc(OC)cc1C 36156967 572193690 /nfs/dbraw/zinc/19/36/90/572193690.db2.gz IPHPBRJSKOFYTF-NSHDSACASA-N 0 0 194.274 2.755 10 0 AFAERN CC(C)c1ccc2c(c1)[C@H](O)CC2 19727081 572193829 /nfs/dbraw/zinc/19/38/29/572193829.db2.gz BIUYBICUUXKRDF-GFCCVEGCSA-N 0 0 176.259 2.790 10 0 AFAERN O[C@H](c1ccc(Cl)s1)C1CC1 36156549 572193922 /nfs/dbraw/zinc/19/39/22/572193922.db2.gz RQWVNQICMSVWQJ-QMMMGPOBSA-N 0 0 188.679 2.845 10 0 AFAERN CCC(=O)c1cc(C)c(C)cc1OC 36156735 572194617 /nfs/dbraw/zinc/19/46/17/572194617.db2.gz MNYKYNWYHKXAEO-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CCC1CCC(n2nccc2N)CC1 19689346 572194019 /nfs/dbraw/zinc/19/40/19/572194019.db2.gz ZEVFLMIEFKDSDB-UHFFFAOYSA-N 0 0 193.294 2.607 10 0 AFAERN Cc1cc([C@H](O)C2CCC2)ccc1F 36156940 572194029 /nfs/dbraw/zinc/19/40/29/572194029.db2.gz HLDMDFNGFMINOW-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN CC[C@H](O)c1cc(C)c(C)cc1OC 36156956 572194070 /nfs/dbraw/zinc/19/40/70/572194070.db2.gz OKDHMHBDGAGMIW-NSHDSACASA-N 0 0 194.274 2.755 10 0 AFAERN OCCCCc1ccc(Cl)s1 36156649 572194211 /nfs/dbraw/zinc/19/42/11/572194211.db2.gz AXHCXNWCPZINQG-UHFFFAOYSA-N 0 0 190.695 2.717 10 0 AFAERN CC(C)(C)c1nc(Cl)sc1N 214615680 572194221 /nfs/dbraw/zinc/19/42/21/572194221.db2.gz LLFIGSJONMTRAE-UHFFFAOYSA-N 0 0 190.699 2.676 10 0 AFAERN CC1(C)CC[C@H](O)c2cc(F)ccc21 19727066 572194508 /nfs/dbraw/zinc/19/45/08/572194508.db2.gz WPYVOTSTLOURJU-NSHDSACASA-N 0 0 194.249 2.931 10 0 AFAERN C[C@]1(c2ccc(Cl)s2)CO1 36156265 572194293 /nfs/dbraw/zinc/19/42/93/572194293.db2.gz PPHKMAMVHOSXNO-SSDOTTSWSA-N 0 0 174.652 2.647 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1[C@@H](C)CC(C)C 300972664 572194299 /nfs/dbraw/zinc/19/42/99/572194299.db2.gz SHGRMDQZYLYADT-LSJOCFKGSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1nc(N)sc1-c1cccs1 19683208 572194630 /nfs/dbraw/zinc/19/46/30/572194630.db2.gz XRKLRVRLSXPFEK-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CC1(C)CC[C@H](O)c2ccccc21 19727062 572194364 /nfs/dbraw/zinc/19/43/64/572194364.db2.gz MEFVOBKOEJGUQI-NSHDSACASA-N 0 0 176.259 2.791 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1[C@H](C)CC(C)C 300972663 572194550 /nfs/dbraw/zinc/19/45/50/572194550.db2.gz SHGRMDQZYLYADT-IEBDPFPHSA-N 0 0 168.280 2.894 10 0 AFAERN CCc1c(-c2cccs2)noc1N 19688941 572194683 /nfs/dbraw/zinc/19/46/83/572194683.db2.gz BWTJXAKAFJRKIR-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CCCC[C@@H](CC)CNOCC 83116262 572194801 /nfs/dbraw/zinc/19/48/01/572194801.db2.gz USAJZWIWIHNEGZ-SNVBAGLBSA-N 0 0 173.300 2.744 10 0 AFAERN CC(C)c1ccc2c(c1)[C@@H](O)CC2 19727082 572194847 /nfs/dbraw/zinc/19/48/47/572194847.db2.gz BIUYBICUUXKRDF-LBPRGKRZSA-N 0 0 176.259 2.790 10 0 AFAERN Cc1cc([C@@H](O)C2CCC2)ccc1F 36156943 572195066 /nfs/dbraw/zinc/19/50/66/572195066.db2.gz HLDMDFNGFMINOW-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN Cc1ccc2c(c1)C(=O)CCCC2 19726981 572195122 /nfs/dbraw/zinc/19/51/22/572195122.db2.gz SUCSKMWSQRGJDS-UHFFFAOYSA-N 0 0 174.243 2.904 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1[C@H](C)CC(C)C 300972665 572195127 /nfs/dbraw/zinc/19/51/27/572195127.db2.gz SHGRMDQZYLYADT-MIMYLULJSA-N 0 0 168.280 2.894 10 0 AFAERN CCC(=O)c1c(C)cc(OC)cc1C 36156752 572195567 /nfs/dbraw/zinc/19/55/67/572195567.db2.gz JUFLPRNUNIWMDJ-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN Cc1ccc2c(c1)[C@@H](O)CCCC2 19727034 572195602 /nfs/dbraw/zinc/19/56/02/572195602.db2.gz PKSJDIXWFOGRCS-LBPRGKRZSA-N 0 0 176.259 2.755 10 0 AFAERN Cc1cccc([C@H](CO)C(C)C)c1 36156002 572195717 /nfs/dbraw/zinc/19/57/17/572195717.db2.gz WJIPEOKNMGWGMV-GFCCVEGCSA-N 0 0 178.275 2.727 10 0 AFAERN O[C@@H](c1ccc(Cl)s1)C1CC1 36156547 572195810 /nfs/dbraw/zinc/19/58/10/572195810.db2.gz RQWVNQICMSVWQJ-MRVPVSSYSA-N 0 0 188.679 2.845 10 0 AFAERN CC(C)[C@@H](CO)c1ccccc1F 36155984 572195850 /nfs/dbraw/zinc/19/58/50/572195850.db2.gz YNEWUUMNXUUDNU-SNVBAGLBSA-N 0 0 182.238 2.558 10 0 AFAERN CCOc1cc(C)c(Cl)c(C)c1N 36199732 572196429 /nfs/dbraw/zinc/19/64/29/572196429.db2.gz DHXUWPOSDTZITA-UHFFFAOYSA-N 0 0 199.681 2.938 10 0 AFAERN CC(C)[C@H](CO)c1ccccc1F 36155986 572196098 /nfs/dbraw/zinc/19/60/98/572196098.db2.gz YNEWUUMNXUUDNU-JTQLQIEISA-N 0 0 182.238 2.558 10 0 AFAERN CC(C)c1ccc([C@H](C)NO)cc1 19728777 572196104 /nfs/dbraw/zinc/19/61/04/572196104.db2.gz GXFBNLKCQWDCTE-VIFPVBQESA-N 0 0 179.263 2.850 10 0 AFAERN OCc1cscc1-c1ccccc1 19754890 572196115 /nfs/dbraw/zinc/19/61/15/572196115.db2.gz FEFQPAVIHCOEQD-UHFFFAOYSA-N 0 0 190.267 2.907 10 0 AFAERN CCCC[C@H](CC)CNOCC 83116263 572196132 /nfs/dbraw/zinc/19/61/32/572196132.db2.gz USAJZWIWIHNEGZ-JTQLQIEISA-N 0 0 173.300 2.744 10 0 AFAERN O[C@@H](c1ccc(F)c(F)c1)C1CCC1 36157113 572196142 /nfs/dbraw/zinc/19/61/42/572196142.db2.gz JXIIKEIKBONONN-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN CC(C)[C@H](CO)c1cccc(F)c1 36155990 572196158 /nfs/dbraw/zinc/19/61/58/572196158.db2.gz FWTFMRGINJEHKJ-NSHDSACASA-N 0 0 182.238 2.558 10 0 AFAERN CC[C@@H](O)c1cc(C)c(OC)cc1C 36156964 572196243 /nfs/dbraw/zinc/19/62/43/572196243.db2.gz WJJSZWZCFSETOK-LLVKDONJSA-N 0 0 194.274 2.755 10 0 AFAERN C/C(=C/c1cccc(C)c1)[C@H](C)O 379346312 572196285 /nfs/dbraw/zinc/19/62/85/572196285.db2.gz WIUMCRRQPRCKGE-IEHMKBBKSA-N 0 0 176.259 2.779 10 0 AFAERN C[C@@H](ON)c1ccc(C(C)(C)C)cc1 19728744 572196319 /nfs/dbraw/zinc/19/63/19/572196319.db2.gz DYMGROYHMUWGSG-SECBINFHSA-N 0 0 193.290 2.935 10 0 AFAERN Cc1ccc2c(c1)NCC(C)(C)O2 19769962 572196331 /nfs/dbraw/zinc/19/63/31/572196331.db2.gz UUYGSBNCWANXBV-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN CC(C)(C)CC[C@@H](O)C1CCC1 83120619 572196531 /nfs/dbraw/zinc/19/65/31/572196531.db2.gz IOJVHITXMVTGTI-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN CCN(CC)c1cccc(C)c1O 78219934 572196731 /nfs/dbraw/zinc/19/67/31/572196731.db2.gz BMDOTECATGNZGO-UHFFFAOYSA-N 0 0 179.263 2.547 10 0 AFAERN CC(C)c1ccc([C@@H](C)NO)cc1 19728776 572196658 /nfs/dbraw/zinc/19/66/58/572196658.db2.gz GXFBNLKCQWDCTE-SECBINFHSA-N 0 0 179.263 2.850 10 0 AFAERN CCCC[C@H](O)[C@H]1Cc2ccccc21 83121108 572196675 /nfs/dbraw/zinc/19/66/75/572196675.db2.gz NVWBYFSZDIIFBU-STQMWFEESA-N 0 0 190.286 2.877 10 0 AFAERN CN[C@@H]([C@H](C)CC(C)C)C(F)(F)F 300973927 572196676 /nfs/dbraw/zinc/19/66/76/572196676.db2.gz SODARXDLWQXNNV-SFYZADRCSA-N 0 0 197.244 2.819 10 0 AFAERN O[C@@H](CCc1ccccc1)C1CCC1 83120808 572196974 /nfs/dbraw/zinc/19/69/74/572196974.db2.gz KOFPUGVYOWVWGF-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN C[C@H](ON)c1ccc2c(c1)CCCC2 19728751 572197095 /nfs/dbraw/zinc/19/70/95/572197095.db2.gz WQGLGMVZWNJSPG-VIFPVBQESA-N 0 0 191.274 2.517 10 0 AFAERN O[C@H](CCc1ccsc1)C1CCC1 83120732 572197129 /nfs/dbraw/zinc/19/71/29/572197129.db2.gz OCKGSAFLDFIZAE-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN CC(C)(C)CC[C@H](O)C1CCC1 83120617 572197197 /nfs/dbraw/zinc/19/71/97/572197197.db2.gz IOJVHITXMVTGTI-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](ON)c1ccc(C(C)(C)C)cc1 19728745 572197520 /nfs/dbraw/zinc/19/75/20/572197520.db2.gz DYMGROYHMUWGSG-VIFPVBQESA-N 0 0 193.290 2.935 10 0 AFAERN CCC[C@H](C)C[C@H](O)C1CCC1 83120828 572197602 /nfs/dbraw/zinc/19/76/02/572197602.db2.gz LIFDVNDKYBNYSS-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)c1ccc2c(=O)[nH]ccc2c1 36244075 572197667 /nfs/dbraw/zinc/19/76/67/572197667.db2.gz NTWSURGJHZTXMQ-UHFFFAOYSA-N 0 0 187.242 2.652 10 0 AFAERN CN[C@H]([C@@H](C)CC(C)C)C(F)(F)F 300973925 572197780 /nfs/dbraw/zinc/19/77/80/572197780.db2.gz SODARXDLWQXNNV-JGVFFNPUSA-N 0 0 197.244 2.819 10 0 AFAERN O[C@H](CCc1cccs1)C1CCC1 83120728 572197833 /nfs/dbraw/zinc/19/78/33/572197833.db2.gz SUJNVNLAJUSLBA-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN Oc1ccc(-c2cc(Cl)on2)cc1 249923422 572197962 /nfs/dbraw/zinc/19/79/62/572197962.db2.gz XRTCUSIAGOUVSJ-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN CCOc1ccc(C(C)=O)c(C)c1C 36200630 572198020 /nfs/dbraw/zinc/19/80/20/572198020.db2.gz GUDQTLXXDRWYNJ-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CCOc1ccc(C(C)(C)C)cc1N 36200117 572198123 /nfs/dbraw/zinc/19/81/23/572198123.db2.gz JYLBDMQBGMHOIU-UHFFFAOYSA-N 0 0 193.290 2.965 10 0 AFAERN O[C@H](CCc1ccccc1)C1CCC1 83120810 572198140 /nfs/dbraw/zinc/19/81/40/572198140.db2.gz KOFPUGVYOWVWGF-CYBMUJFWSA-N 0 0 190.286 2.780 10 0 AFAERN CCCC[C@H](O)[C@@H]1Cc2ccccc21 83121104 572198260 /nfs/dbraw/zinc/19/82/60/572198260.db2.gz NVWBYFSZDIIFBU-OLZOCXBDSA-N 0 0 190.286 2.877 10 0 AFAERN CCCC[C@@H](O)[C@H]1Cc2ccccc21 83121110 572198441 /nfs/dbraw/zinc/19/84/41/572198441.db2.gz NVWBYFSZDIIFBU-QWHCGFSZSA-N 0 0 190.286 2.877 10 0 AFAERN CCC(=O)c1cc(C)cc(C)c1OC 36199241 572198580 /nfs/dbraw/zinc/19/85/80/572198580.db2.gz HGODQSQXGASELB-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CCCCC[C@H](O)C1CCC1 83120558 572198651 /nfs/dbraw/zinc/19/86/51/572198651.db2.gz LAPCNLUTCRSFJD-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CN[C@H]([C@H](C)CC(C)C)C(F)(F)F 300973923 572198828 /nfs/dbraw/zinc/19/88/28/572198828.db2.gz SODARXDLWQXNNV-HTQZYQBOSA-N 0 0 197.244 2.819 10 0 AFAERN CCCC[C@@H](O)[C@@H]1Cc2ccccc21 83121106 572198883 /nfs/dbraw/zinc/19/88/83/572198883.db2.gz NVWBYFSZDIIFBU-CHWSQXEVSA-N 0 0 190.286 2.877 10 0 AFAERN O[C@@H](CCc1ccsc1)C1CCC1 83120731 572198885 /nfs/dbraw/zinc/19/88/85/572198885.db2.gz OCKGSAFLDFIZAE-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN C[C@H](NO)c1ccc2c(c1)CCCC2 19728785 572198950 /nfs/dbraw/zinc/19/89/50/572198950.db2.gz LAJCJXQIRYVQKT-VIFPVBQESA-N 0 0 191.274 2.605 10 0 AFAERN CCOc1cc(C)c(Cl)cc1N 36199111 572199038 /nfs/dbraw/zinc/19/90/38/572199038.db2.gz JEPYHUQFKCHOLQ-UHFFFAOYSA-N 0 0 185.654 2.629 10 0 AFAERN CCC(=O)c1ccc(OC)c(C)c1C 36200521 572199118 /nfs/dbraw/zinc/19/91/18/572199118.db2.gz DQABROSRCIKREU-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CN[C@@H]([C@@H](C)CC(C)C)C(F)(F)F 300973929 572199139 /nfs/dbraw/zinc/19/91/39/572199139.db2.gz SODARXDLWQXNNV-YUMQZZPRSA-N 0 0 197.244 2.819 10 0 AFAERN Cc1cc(C(C)(C)C)ccn1 19801125 572199475 /nfs/dbraw/zinc/19/94/75/572199475.db2.gz IZDMRLFXYJMCNI-UHFFFAOYSA-N 0 0 149.237 2.688 10 0 AFAERN CCOCCCC(=O)C(C)(C)CC 689406737 572199510 /nfs/dbraw/zinc/19/95/10/572199510.db2.gz ISNPESJOMOWVQL-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCCC[C@H](O)C[C@H](C)CC 83137987 572199714 /nfs/dbraw/zinc/19/97/14/572199714.db2.gz QRZAYHZIHWIJHD-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN CCOC(=O)N(C)[C@H]1CCCC[C@@H]1C 70234371 572199782 /nfs/dbraw/zinc/19/97/82/572199782.db2.gz DUHKBJQPWLOVGL-UWVGGRQHSA-N 0 0 199.294 2.653 10 0 AFAERN Cc1csc2[nH]cnc(=S)c12 39192705 572199812 /nfs/dbraw/zinc/19/98/12/572199812.db2.gz ASGDXYMMVNAURW-UHFFFAOYSA-N 0 0 182.273 2.662 10 0 AFAERN CCCC[C@@H](O)C[C@H](C)CC 83137991 572199950 /nfs/dbraw/zinc/19/99/50/572199950.db2.gz QRZAYHZIHWIJHD-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@H](C)COc1ccccc1O 39090063 572200064 /nfs/dbraw/zinc/20/00/64/572200064.db2.gz TUWWMVLKYZVTIQ-VIFPVBQESA-N 0 0 180.247 2.817 10 0 AFAERN CCC[C@@H](CO)c1ccc(F)cc1 39209854 572200127 /nfs/dbraw/zinc/20/01/27/572200127.db2.gz APSBBJRZXLFKPP-JTQLQIEISA-N 0 0 182.238 2.702 10 0 AFAERN Cc1ccc2c(N)c(C)ccc2c1N 19801538 572200171 /nfs/dbraw/zinc/20/01/71/572200171.db2.gz VFLDTOASZCTYKP-UHFFFAOYSA-N 0 0 186.258 2.621 10 0 AFAERN CCOC(=O)NCC1CCC(C)CC1 70228102 572200197 /nfs/dbraw/zinc/20/01/97/572200197.db2.gz YRXXBCPDSGAXNY-UHFFFAOYSA-N 0 0 199.294 2.559 10 0 AFAERN CCCN(C)C(=O)Oc1ccccc1 70232887 572200253 /nfs/dbraw/zinc/20/02/53/572200253.db2.gz JIRPZTHMCZPKTN-UHFFFAOYSA-N 0 0 193.246 2.527 10 0 AFAERN CCCC[C@H](O)C[C@@H](C)CC 83137980 572200312 /nfs/dbraw/zinc/20/03/12/572200312.db2.gz QRZAYHZIHWIJHD-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CCCC[C@@H](O)C[C@@H](C)CC 83137983 572200407 /nfs/dbraw/zinc/20/04/07/572200407.db2.gz QRZAYHZIHWIJHD-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN CCOC(=O)N[C@H]1CCCC[C@@H]1CC 70226643 572200415 /nfs/dbraw/zinc/20/04/15/572200415.db2.gz OWWIRUIORZSPBU-UWVGGRQHSA-N 0 0 199.294 2.701 10 0 AFAERN CCC[C@H](NC(C)=O)c1cccs1 70228089 572200632 /nfs/dbraw/zinc/20/06/32/572200632.db2.gz MCYHBFDEEACJFB-VIFPVBQESA-N 0 0 197.303 2.725 10 0 AFAERN CC(C)CCN(C=O)CCC(C)C 83144967 572200668 /nfs/dbraw/zinc/20/06/68/572200668.db2.gz BIKUWSZMUHRUHN-UHFFFAOYSA-N 0 0 185.311 2.537 10 0 AFAERN CC(C)C[C@@H](C)N(C)C(=O)C(C)C 70234326 572200763 /nfs/dbraw/zinc/20/07/63/572200763.db2.gz LUKOLFOEGKMNLR-SNVBAGLBSA-N 0 0 185.311 2.535 10 0 AFAERN CCOC(=O)NC[C@H]1CCCC[C@H]1C 70228414 572201076 /nfs/dbraw/zinc/20/10/76/572201076.db2.gz WXFBGYSEJWDLRC-NXEZZACHSA-N 0 0 199.294 2.559 10 0 AFAERN CCOC(=O)N[C@H]1CCCC[C@H]1CC 70226642 572201135 /nfs/dbraw/zinc/20/11/35/572201135.db2.gz OWWIRUIORZSPBU-ZJUUUORDSA-N 0 0 199.294 2.701 10 0 AFAERN CCC[C@@H]1CCCN(C(=O)CC)CC1 70233038 572201252 /nfs/dbraw/zinc/20/12/52/572201252.db2.gz PFKWBPZQTGMUPM-LLVKDONJSA-N 0 0 197.322 2.825 10 0 AFAERN CCOC(=O)NC[C@H]1CCCC[C@@H]1C 70228412 572201224 /nfs/dbraw/zinc/20/12/24/572201224.db2.gz WXFBGYSEJWDLRC-VHSXEESVSA-N 0 0 199.294 2.559 10 0 AFAERN CCOCCOc1ccccc1CC 70233507 572201998 /nfs/dbraw/zinc/20/19/98/572201998.db2.gz PHXHWRSANJGFAY-UHFFFAOYSA-N 0 0 194.274 2.664 10 0 AFAERN CCOC(=O)NC[C@@H]1CCCC[C@H]1C 70228413 572201510 /nfs/dbraw/zinc/20/15/10/572201510.db2.gz WXFBGYSEJWDLRC-ZJUUUORDSA-N 0 0 199.294 2.559 10 0 AFAERN CC(C)C[C@@H](C)N(C)C(=O)C(C)(C)C 70226059 572202727 /nfs/dbraw/zinc/20/27/27/572202727.db2.gz XDEWQWLIKOALQN-SNVBAGLBSA-N 0 0 199.338 2.926 10 0 AFAERN Cc1cccc(C)c1C(C)(C)O 19801535 572201570 /nfs/dbraw/zinc/20/15/70/572201570.db2.gz XSTIYMHYWQLSLE-UHFFFAOYSA-N 0 0 164.248 2.531 10 0 AFAERN CCOC(=O)N(C)[C@@H]1CCCC[C@@H]1C 70234369 572201596 /nfs/dbraw/zinc/20/15/96/572201596.db2.gz DUHKBJQPWLOVGL-VHSXEESVSA-N 0 0 199.294 2.653 10 0 AFAERN CCOC(=O)N[C@@H]1CCCC[C@H]1CC 70226644 572201739 /nfs/dbraw/zinc/20/17/39/572201739.db2.gz OWWIRUIORZSPBU-NXEZZACHSA-N 0 0 199.294 2.701 10 0 AFAERN CCC[C@@H](NC(C)=O)c1cccs1 70228090 572201761 /nfs/dbraw/zinc/20/17/61/572201761.db2.gz MCYHBFDEEACJFB-SECBINFHSA-N 0 0 197.303 2.725 10 0 AFAERN CCOC(=O)N(CC(C)C)C(C)C 70227382 572201795 /nfs/dbraw/zinc/20/17/95/572201795.db2.gz WSYDFKLIHZVFLF-UHFFFAOYSA-N 0 0 187.283 2.509 10 0 AFAERN CCC(=O)c1ccc(C)c(C)c1OC 140323931 572201826 /nfs/dbraw/zinc/20/18/26/572201826.db2.gz YDTYBRUTVMFCTJ-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CC(C)C[C@H](C)N(C)C(=O)C(C)C 70234328 572201892 /nfs/dbraw/zinc/20/18/92/572201892.db2.gz LUKOLFOEGKMNLR-JTQLQIEISA-N 0 0 185.311 2.535 10 0 AFAERN CCOC(=O)N(C)[C@H]1CCCC[C@H]1C 70234375 572201902 /nfs/dbraw/zinc/20/19/02/572201902.db2.gz DUHKBJQPWLOVGL-ZJUUUORDSA-N 0 0 199.294 2.653 10 0 AFAERN Cc1cccc(C(C)C=O)c1 687712206 572201970 /nfs/dbraw/zinc/20/19/70/572201970.db2.gz OPPUHGNLELZJGR-VQHVLOKHSA-N 0 0 148.205 2.914 10 0 AFAERN CCC[C@H]1CCCN(C(=O)CC)CC1 70233040 572201985 /nfs/dbraw/zinc/20/19/85/572201985.db2.gz PFKWBPZQTGMUPM-NSHDSACASA-N 0 0 197.322 2.825 10 0 AFAERN Cc1ccc([C@H](N)c2occc2C)o1 43609874 572202072 /nfs/dbraw/zinc/20/20/72/572202072.db2.gz BZRFIVDHULBGTE-JTQLQIEISA-N 0 0 191.230 2.538 10 0 AFAERN CCOC(=O)N[C@@H]1CCCC[C@@H]1CC 70226645 572202090 /nfs/dbraw/zinc/20/20/90/572202090.db2.gz OWWIRUIORZSPBU-VHSXEESVSA-N 0 0 199.294 2.701 10 0 AFAERN CCOC(=O)N(C)[C@@H]1CCCC[C@H]1C 70234373 572202222 /nfs/dbraw/zinc/20/22/22/572202222.db2.gz DUHKBJQPWLOVGL-NXEZZACHSA-N 0 0 199.294 2.653 10 0 AFAERN CCOC(=O)NC[C@@H]1CCCC[C@@H]1C 70228411 572202268 /nfs/dbraw/zinc/20/22/68/572202268.db2.gz WXFBGYSEJWDLRC-UWVGGRQHSA-N 0 0 199.294 2.559 10 0 AFAERN CCC[C@H](CO)c1ccc(F)cc1 39209855 572202276 /nfs/dbraw/zinc/20/22/76/572202276.db2.gz APSBBJRZXLFKPP-SNVBAGLBSA-N 0 0 182.238 2.702 10 0 AFAERN Cc1cc2nccn2cc1C1CC1 140318803 572202319 /nfs/dbraw/zinc/20/23/19/572202319.db2.gz YSKUIPBPXBOFFI-UHFFFAOYSA-N 0 0 172.231 2.520 10 0 AFAERN Cc1ccccc1C(=O)c1ccco1 43606562 572202393 /nfs/dbraw/zinc/20/23/93/572202393.db2.gz ZRDQPXROYZIOFE-UHFFFAOYSA-N 0 0 186.210 2.819 10 0 AFAERN CCC(=O)N[C@H](CC)c1cccs1 70224077 572204540 /nfs/dbraw/zinc/20/45/40/572204540.db2.gz ZJRLCEUKODKYCN-MRVPVSSYSA-N 0 0 197.303 2.725 10 0 AFAERN CC[C@H](C)Sc1ccc(N)cn1 19869612 572202670 /nfs/dbraw/zinc/20/26/70/572202670.db2.gz JMWKAQUWFLJXTQ-ZETCQYMHSA-N 0 0 182.292 2.554 10 0 AFAERN CN[C@H](C1=CCCCCC1)C(F)F 234409658 572202774 /nfs/dbraw/zinc/20/27/74/572202774.db2.gz LKIKMUTYHARJRW-SECBINFHSA-N 0 0 189.249 2.730 10 0 AFAERN CCOC(=O)N(CC)C1CCCCC1 70224181 572202874 /nfs/dbraw/zinc/20/28/74/572202874.db2.gz LGSWPXZUBARCDS-UHFFFAOYSA-N 0 0 199.294 2.798 10 0 AFAERN CC(C)C[C@H](C)N(C)C(=O)C(C)(C)C 70226060 572202879 /nfs/dbraw/zinc/20/28/79/572202879.db2.gz XDEWQWLIKOALQN-JTQLQIEISA-N 0 0 199.338 2.926 10 0 AFAERN CC[C@@H](C)NC(=O)Oc1ccccc1 70222869 572202946 /nfs/dbraw/zinc/20/29/46/572202946.db2.gz WGPWXHOKXHAYHH-SECBINFHSA-N 0 0 193.246 2.574 10 0 AFAERN CC[C@@H](C)Sc1ncccc1N 19869613 572203111 /nfs/dbraw/zinc/20/31/11/572203111.db2.gz WVFOCGQKFYXWQO-SSDOTTSWSA-N 0 0 182.292 2.554 10 0 AFAERN Cc1ccc([C@@H](N)c2ccoc2C)o1 43609857 572203112 /nfs/dbraw/zinc/20/31/12/572203112.db2.gz FXNUMDDNOGROLC-NSHDSACASA-N 0 0 191.230 2.538 10 0 AFAERN C[C@H](O)/C(Cl)=C\c1ccccc1 393351376 572203121 /nfs/dbraw/zinc/20/31/21/572203121.db2.gz VDEANHFRYLIPPK-VKHJRQFRSA-N 0 0 182.650 2.647 10 0 AFAERN CCOC(=O)N(C)[C@@H](C)C(C)(C)C 70226092 572203126 /nfs/dbraw/zinc/20/31/26/572203126.db2.gz OPHFWNYLUQKZQR-QMMMGPOBSA-N 0 0 187.283 2.509 10 0 AFAERN Cc1ccc([C@@H](N)c2occc2C)o1 43609871 572203156 /nfs/dbraw/zinc/20/31/56/572203156.db2.gz BZRFIVDHULBGTE-SNVBAGLBSA-N 0 0 191.230 2.538 10 0 AFAERN CCSc1ccc(F)cc1N 19869644 572203163 /nfs/dbraw/zinc/20/31/63/572203163.db2.gz FGKPHTNFGRYSJH-UHFFFAOYSA-N 0 0 171.240 2.520 10 0 AFAERN CC(C)C[C@@H](C)Nc1cccnc1 19884255 572203173 /nfs/dbraw/zinc/20/31/73/572203173.db2.gz FSFKECZOGSHNSA-SNVBAGLBSA-N 0 0 178.279 2.928 10 0 AFAERN Cc1ccc([C@H](N)c2ccoc2C)o1 43609855 572203176 /nfs/dbraw/zinc/20/31/76/572203176.db2.gz FXNUMDDNOGROLC-LLVKDONJSA-N 0 0 191.230 2.538 10 0 AFAERN CCOC(=O)N(C)[C@H](C)C(C)(C)C 70226093 572203206 /nfs/dbraw/zinc/20/32/06/572203206.db2.gz OPHFWNYLUQKZQR-MRVPVSSYSA-N 0 0 187.283 2.509 10 0 AFAERN CCOC(=O)N(C)C1CCC(C)CC1 70224378 572203277 /nfs/dbraw/zinc/20/32/77/572203277.db2.gz YMHWLTOYBGFYQS-UHFFFAOYSA-N 0 0 199.294 2.653 10 0 AFAERN Cc1cc([C@@H](N)c2ccco2)c(C)o1 43606771 572203343 /nfs/dbraw/zinc/20/33/43/572203343.db2.gz HLTJOKMPWZIKJU-LLVKDONJSA-N 0 0 191.230 2.538 10 0 AFAERN CCOC(=O)N[C@@H](C)CCC(C)C 70224184 572203344 /nfs/dbraw/zinc/20/33/44/572203344.db2.gz QARHYJUWMFUZFA-VIFPVBQESA-N 0 0 187.283 2.557 10 0 AFAERN CCC(=O)[C@@H](C)SCc1ccco1 70234709 572204804 /nfs/dbraw/zinc/20/48/04/572204804.db2.gz UCPURCSONHOAHW-MRVPVSSYSA-N 0 0 198.287 2.880 10 0 AFAERN Cc1cc([C@H](N)c2ccco2)c(C)o1 43606769 572203523 /nfs/dbraw/zinc/20/35/23/572203523.db2.gz HLTJOKMPWZIKJU-NSHDSACASA-N 0 0 191.230 2.538 10 0 AFAERN CCCC[C@@H](C)c1cc(N)no1 300974902 572203546 /nfs/dbraw/zinc/20/35/46/572203546.db2.gz SNQPZRRPGYMXNN-SSDOTTSWSA-N 0 0 168.240 2.551 10 0 AFAERN CCOC(=O)N[C@H](C)c1cccs1 70223387 572203549 /nfs/dbraw/zinc/20/35/49/572203549.db2.gz USDLNCXMNDKXPE-SSDOTTSWSA-N 0 0 199.275 2.555 10 0 AFAERN C[C@H](N(C)C(=O)C(C)(C)C)C(C)(C)C 70226055 572203568 /nfs/dbraw/zinc/20/35/68/572203568.db2.gz XNLPOIFFZWCRLB-VIFPVBQESA-N 0 0 199.338 2.926 10 0 AFAERN CCC(=O)[C@H](C)SCC(C)C 70234780 572204809 /nfs/dbraw/zinc/20/48/09/572204809.db2.gz TZOSBOKCXXVUAY-QMMMGPOBSA-N 0 0 174.309 2.743 10 0 AFAERN CCCC(=O)N(C)[C@H](C)CC(C)C 70225788 572203585 /nfs/dbraw/zinc/20/35/85/572203585.db2.gz MHMNURCCEZQTLB-SNVBAGLBSA-N 0 0 185.311 2.680 10 0 AFAERN CCSCc1ccccc1N 19869878 572203607 /nfs/dbraw/zinc/20/36/07/572203607.db2.gz ODDXIVKIHSYVDE-UHFFFAOYSA-N 0 0 167.277 2.522 10 0 AFAERN CCCC=C=C(CCO)SC 37628748 572203610 /nfs/dbraw/zinc/20/36/10/572203610.db2.gz CSFSQHAOVJERNL-UHFFFAOYSA-N 0 0 172.293 2.571 10 0 AFAERN CCOC(=O)N(C)C1CCCCCC1 70225231 572203732 /nfs/dbraw/zinc/20/37/32/572203732.db2.gz PZHMKTVPGDRQGI-UHFFFAOYSA-N 0 0 199.294 2.798 10 0 AFAERN CCOC(=O)N(CCC(C)C)C1CC1 70226089 572204907 /nfs/dbraw/zinc/20/49/07/572204907.db2.gz XJBDLEFAGWLVAJ-UHFFFAOYSA-N 0 0 199.294 2.653 10 0 AFAERN CCC(=O)[C@H](C)SCc1ccco1 70234711 572203797 /nfs/dbraw/zinc/20/37/97/572203797.db2.gz UCPURCSONHOAHW-QMMMGPOBSA-N 0 0 198.287 2.880 10 0 AFAERN CCOC(=O)N(C)CC1CCCCC1 70225648 572203847 /nfs/dbraw/zinc/20/38/47/572203847.db2.gz AFQLKUQNFWJTLH-UHFFFAOYSA-N 0 0 199.294 2.655 10 0 AFAERN Cc1ccc(C[C@@H]2CCC[C@@H]2O)cc1 43656098 572203852 /nfs/dbraw/zinc/20/38/52/572203852.db2.gz OWLVPEBINQGMHA-STQMWFEESA-N 0 0 190.286 2.699 10 0 AFAERN CCC(=O)N(CC)c1ccc(C)cc1 70225862 572204909 /nfs/dbraw/zinc/20/49/09/572204909.db2.gz MBMMWJNEYQKIFH-UHFFFAOYSA-N 0 0 191.274 2.758 10 0 AFAERN CCC(=O)[C@H](C)S[C@@H](C)CC 70234760 572203876 /nfs/dbraw/zinc/20/38/76/572203876.db2.gz XUURCQYGHVBSTO-YUMQZZPRSA-N 0 0 174.309 2.886 10 0 AFAERN CCC(=O)[C@@H](C)SCC(C)C 70234778 572204911 /nfs/dbraw/zinc/20/49/11/572204911.db2.gz TZOSBOKCXXVUAY-MRVPVSSYSA-N 0 0 174.309 2.743 10 0 AFAERN CCC(=O)N[C@@H](CC)c1cccs1 70224075 572203929 /nfs/dbraw/zinc/20/39/29/572203929.db2.gz ZJRLCEUKODKYCN-QMMMGPOBSA-N 0 0 197.303 2.725 10 0 AFAERN CCOC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 70223457 572203941 /nfs/dbraw/zinc/20/39/41/572203941.db2.gz LLEJLQAYMFMVKY-GUBZILKMSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)N(C)C(=O)Oc1ccccc1 70225011 572203994 /nfs/dbraw/zinc/20/39/94/572203994.db2.gz BOOMPFXEQPXSAU-UHFFFAOYSA-N 0 0 193.246 2.526 10 0 AFAERN CCCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C 70223465 572204039 /nfs/dbraw/zinc/20/40/39/572204039.db2.gz OOLPNNPBIUQLSV-DCAQKATOSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)Sc1ccc(N)nc1 19869636 572204047 /nfs/dbraw/zinc/20/40/47/572204047.db2.gz VLHYRNXNUHXHEY-ZETCQYMHSA-N 0 0 182.292 2.554 10 0 AFAERN CNC(=O)[C@@H](C)/C=C(/C)C(C)=C(C)C 19877937 572204105 /nfs/dbraw/zinc/20/41/05/572204105.db2.gz POMKNOLPJKBHAJ-RNKPRXRFSA-N 0 0 195.306 2.671 10 0 AFAERN O[C@H]1CCC[C@H]1Cc1ccc(F)cc1 43656105 572204110 /nfs/dbraw/zinc/20/41/10/572204110.db2.gz CPOHURDXAPYWSI-JQWIXIFHSA-N 0 0 194.249 2.529 10 0 AFAERN CCOC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 70223461 572204112 /nfs/dbraw/zinc/20/41/12/572204112.db2.gz LLEJLQAYMFMVKY-UTLUCORTSA-N 0 0 199.294 2.557 10 0 AFAERN CCOC(=O)N(C)[C@@H](C)CC(C)C 70226096 572204117 /nfs/dbraw/zinc/20/41/17/572204117.db2.gz BVQWKVCPDINUDL-VIFPVBQESA-N 0 0 187.283 2.509 10 0 AFAERN CCC(CC)N(C)C(=O)c1ccco1 70225749 572204119 /nfs/dbraw/zinc/20/41/19/572204119.db2.gz MZNCLHBRWOOMKX-UHFFFAOYSA-N 0 0 195.262 2.540 10 0 AFAERN CCC(=O)[C@H](C)S[C@H](C)CC 70234758 572204140 /nfs/dbraw/zinc/20/41/40/572204140.db2.gz XUURCQYGHVBSTO-SFYZADRCSA-N 0 0 174.309 2.886 10 0 AFAERN CCCC(=O)N(C)[C@@H](C)CC(C)C 70225787 572204221 /nfs/dbraw/zinc/20/42/21/572204221.db2.gz MHMNURCCEZQTLB-JTQLQIEISA-N 0 0 185.311 2.680 10 0 AFAERN CCOC(=O)N(C)[C@H](C)CC(C)C 70226097 572204254 /nfs/dbraw/zinc/20/42/54/572204254.db2.gz BVQWKVCPDINUDL-SECBINFHSA-N 0 0 187.283 2.509 10 0 AFAERN CC(C)C[C@H](C)Nc1cccnc1 19884256 572204290 /nfs/dbraw/zinc/20/42/90/572204290.db2.gz FSFKECZOGSHNSA-JTQLQIEISA-N 0 0 178.279 2.928 10 0 AFAERN CC[C@H](C)NC(=O)Oc1ccccc1 70222871 572204300 /nfs/dbraw/zinc/20/43/00/572204300.db2.gz WGPWXHOKXHAYHH-VIFPVBQESA-N 0 0 193.246 2.574 10 0 AFAERN CCC(CC)Nc1cccnc1 19884292 572204318 /nfs/dbraw/zinc/20/43/18/572204318.db2.gz FGYXBFFWQFMZLX-UHFFFAOYSA-N 0 0 164.252 2.682 10 0 AFAERN CC[C@H]1CCC[C@@H](C(=O)C(C)(C)O)C1 234095008 572204319 /nfs/dbraw/zinc/20/43/19/572204319.db2.gz PWTOGWNNMNQIOZ-VHSXEESVSA-N 0 0 198.306 2.543 10 0 AFAERN CCOC(=O)N[C@@H](C)c1cccs1 70223384 572204397 /nfs/dbraw/zinc/20/43/97/572204397.db2.gz USDLNCXMNDKXPE-ZETCQYMHSA-N 0 0 199.275 2.555 10 0 AFAERN CC(C)[C@@H](C)Nc1cccnc1 19884344 572204408 /nfs/dbraw/zinc/20/44/08/572204408.db2.gz KOKLICVOOQQNBJ-SECBINFHSA-N 0 0 164.252 2.538 10 0 AFAERN CCOC(=O)N[C@H](C)CCC(C)C 70224187 572204421 /nfs/dbraw/zinc/20/44/21/572204421.db2.gz QARHYJUWMFUZFA-SECBINFHSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@H](C)Sc1ncccc1N 19869614 572204452 /nfs/dbraw/zinc/20/44/52/572204452.db2.gz WVFOCGQKFYXWQO-ZETCQYMHSA-N 0 0 182.292 2.554 10 0 AFAERN CC[C@H](O)CCCC(C)(C)C 43657869 572204528 /nfs/dbraw/zinc/20/45/28/572204528.db2.gz VURCUILRFGRWBW-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN CCCC[C@H](O)CCc1ccco1 37625438 572204542 /nfs/dbraw/zinc/20/45/42/572204542.db2.gz DUGLXIVFJALDAC-JTQLQIEISA-N 0 0 182.263 2.763 10 0 AFAERN O=Cc1ccnc(Oc2ccccc2)c1 167994524 572204558 /nfs/dbraw/zinc/20/45/58/572204558.db2.gz BCMCRINPCJJYJB-UHFFFAOYSA-N 0 0 199.209 2.686 10 0 AFAERN CC[C@@H](C)Sc1ccc(N)cn1 19869611 572204576 /nfs/dbraw/zinc/20/45/76/572204576.db2.gz JMWKAQUWFLJXTQ-SSDOTTSWSA-N 0 0 182.292 2.554 10 0 AFAERN CC(C)=CC[C@H]1CCC[C@@H]1O 43655834 572204641 /nfs/dbraw/zinc/20/46/41/572204641.db2.gz DAEZMSSUQGBZAK-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)=CC[C@H]1CCC[C@H]1O 43655837 572204690 /nfs/dbraw/zinc/20/46/90/572204690.db2.gz DAEZMSSUQGBZAK-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CCCCOCCOc1ccccc1 70235977 572204726 /nfs/dbraw/zinc/20/47/26/572204726.db2.gz WMKLOPKWBZQHHF-UHFFFAOYSA-N 0 0 194.274 2.882 10 0 AFAERN C[C@@H](O)/C(Cl)=C\c1ccccc1 393351373 572204733 /nfs/dbraw/zinc/20/47/33/572204733.db2.gz VDEANHFRYLIPPK-RYGSOJJJSA-N 0 0 182.650 2.647 10 0 AFAERN O=Cc1ccccc1[C@@H]1C=CCC1 140394541 572206282 /nfs/dbraw/zinc/20/62/82/572206282.db2.gz ZMCAGMCBDFXOTN-SNVBAGLBSA-N 0 0 172.227 2.933 10 0 AFAERN CCC(=O)[C@@H](C)S[C@@H](C)CC 70234764 572204832 /nfs/dbraw/zinc/20/48/32/572204832.db2.gz XUURCQYGHVBSTO-JGVFFNPUSA-N 0 0 174.309 2.886 10 0 AFAERN Cc1nc2c(N)cccc2n1C(C)C 36282315 572204852 /nfs/dbraw/zinc/20/48/52/572204852.db2.gz SKDUOBLSGXSGLN-UHFFFAOYSA-N 0 0 189.262 2.508 10 0 AFAERN CCC(=O)[C@@H](C)S[C@H](C)CC 70234762 572204899 /nfs/dbraw/zinc/20/48/99/572204899.db2.gz XUURCQYGHVBSTO-HTQZYQBOSA-N 0 0 174.309 2.886 10 0 AFAERN CC(C)=CC[C@@H]1CCC[C@H]1O 43655836 572205029 /nfs/dbraw/zinc/20/50/29/572205029.db2.gz DAEZMSSUQGBZAK-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@@H](C)Sc1ccc(N)nc1 19869635 572205035 /nfs/dbraw/zinc/20/50/35/572205035.db2.gz VLHYRNXNUHXHEY-SSDOTTSWSA-N 0 0 182.292 2.554 10 0 AFAERN CC(=C\C(C)(C)C)/C=C(\C)CO 36419915 572206791 /nfs/dbraw/zinc/20/67/91/572206791.db2.gz GETDPLUKJDNRAT-IDXDHNASSA-N 0 0 168.280 2.917 10 0 AFAERN CC[C@@](C)(CCO)c1ccccc1 205078118 572205053 /nfs/dbraw/zinc/20/50/53/572205053.db2.gz HNJWTWXBFJQKRR-LBPRGKRZSA-N 0 0 178.275 2.737 10 0 AFAERN O[C@@H]1CCC[C@@H]1Cc1ccc(F)cc1 43656110 572205062 /nfs/dbraw/zinc/20/50/62/572205062.db2.gz CPOHURDXAPYWSI-ZYHUDNBSSA-N 0 0 194.249 2.529 10 0 AFAERN CNC(=O)[C@H](C)/C=C(/C)C(C)=C(C)C 19877938 572205064 /nfs/dbraw/zinc/20/50/64/572205064.db2.gz POMKNOLPJKBHAJ-UJICNMFASA-N 0 0 195.306 2.671 10 0 AFAERN O=C1CCCC[C@H]1C(F)=C(F)F 36404438 572206390 /nfs/dbraw/zinc/20/63/90/572206390.db2.gz MDEJQBJRMLQRJR-RXMQYKEDSA-N 0 0 178.153 2.823 10 0 AFAERN Cc1ccc(C[C@H]2CCC[C@H]2O)cc1 43656103 572205106 /nfs/dbraw/zinc/20/51/06/572205106.db2.gz OWLVPEBINQGMHA-CHWSQXEVSA-N 0 0 190.286 2.699 10 0 AFAERN CC(C)=CC[C@@H]1CCCC[C@@H]1O 43658116 572205147 /nfs/dbraw/zinc/20/51/47/572205147.db2.gz BAYFJXSKCKAWPW-QWRGUYRKSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)C(C)(C)C[C@@H](O)C1CC1 713230126 572205158 /nfs/dbraw/zinc/20/51/58/572205158.db2.gz QWTBNLHBSDVMPJ-SNVBAGLBSA-N 0 0 170.296 2.830 10 0 AFAERN CCOC(=O)NC1CCC(CC)CC1 70226368 572205178 /nfs/dbraw/zinc/20/51/78/572205178.db2.gz GMAYWZCXSFRDDV-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CCOc1ccc2c(c1)[C@@H](C)CN2 19948183 572206397 /nfs/dbraw/zinc/20/63/97/572206397.db2.gz LADXAGUCNRPRNB-QMMMGPOBSA-N 0 0 177.247 2.614 10 0 AFAERN C[C@H](Nc1cccnc1)c1ccco1 19884311 572205196 /nfs/dbraw/zinc/20/51/96/572205196.db2.gz LQVDFXYYYIQIIU-VIFPVBQESA-N 0 0 188.230 2.848 10 0 AFAERN CC(C)OCCC[C@H](O)C(C)(C)C 43657658 572205210 /nfs/dbraw/zinc/20/52/10/572205210.db2.gz YSAXESPDDIXIBQ-JTQLQIEISA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](Cc1ccsc1)[C@H](C)O 43657155 572205289 /nfs/dbraw/zinc/20/52/89/572205289.db2.gz AONHKKIHGSHNPR-WCBMZHEXSA-N 0 0 184.304 2.698 10 0 AFAERN CCOC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 70226323 572205293 /nfs/dbraw/zinc/20/52/93/572205293.db2.gz YUITZYRUBPDTQL-NXEZZACHSA-N 0 0 199.294 2.653 10 0 AFAERN CC(C)CCNc1ccc(CO)cc1 83342009 572205366 /nfs/dbraw/zinc/20/53/66/572205366.db2.gz SBFBKFYRQWRDID-UHFFFAOYSA-N 0 0 193.290 2.637 10 0 AFAERN C/C=C\COc1c(N)cccc1Cl 393350946 572205382 /nfs/dbraw/zinc/20/53/82/572205382.db2.gz SQBITSUVKLIDFB-IHWYPQMZSA-N 0 0 197.665 2.877 10 0 AFAERN CCOC(=O)N(C)[C@@H]1CCC[C@H](C)C1 70226321 572205392 /nfs/dbraw/zinc/20/53/92/572205392.db2.gz YUITZYRUBPDTQL-VHSXEESVSA-N 0 0 199.294 2.653 10 0 AFAERN CCOC(=O)N(C)[C@H]1CCC[C@@H](C)C1 70226324 572205477 /nfs/dbraw/zinc/20/54/77/572205477.db2.gz YUITZYRUBPDTQL-ZJUUUORDSA-N 0 0 199.294 2.653 10 0 AFAERN Cc1cc(C)cc(CC[C@@H](C)O)c1 43656800 572205547 /nfs/dbraw/zinc/20/55/47/572205547.db2.gz SELSZPVXLDHVSY-LLVKDONJSA-N 0 0 178.275 2.617 10 0 AFAERN CC[C@@H](CC=C(C)C)[C@H](C)O 43656886 572205549 /nfs/dbraw/zinc/20/55/49/572205549.db2.gz MEKHCKYSDQWCPS-UWVGGRQHSA-N 0 0 156.269 2.750 10 0 AFAERN CCOC(=O)N(C)[C@H]1CCC[C@H](C)C1 70226322 572205558 /nfs/dbraw/zinc/20/55/58/572205558.db2.gz YUITZYRUBPDTQL-UWVGGRQHSA-N 0 0 199.294 2.653 10 0 AFAERN CC[C@H](CC=C(C)C)[C@@H](C)O 43656884 572205645 /nfs/dbraw/zinc/20/56/45/572205645.db2.gz MEKHCKYSDQWCPS-NXEZZACHSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@@H]1CC[C@@H](O)[C@H](CC)C1 43660640 572206640 /nfs/dbraw/zinc/20/66/40/572206640.db2.gz SQXWPMLCHGWQQI-OPRDCNLKSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1c(Cl)cccc1[C@@H]1CO1 140303338 572205698 /nfs/dbraw/zinc/20/56/98/572205698.db2.gz VYCVVVYNNDBISK-VIFPVBQESA-N 0 0 168.623 2.720 10 0 AFAERN O[C@@H]1CCC[C@H]1Cc1ccc(F)cc1 43656108 572205702 /nfs/dbraw/zinc/20/57/02/572205702.db2.gz CPOHURDXAPYWSI-CMPLNLGQSA-N 0 0 194.249 2.529 10 0 AFAERN Cc1c(Cl)cccc1[C@H]1CO1 140303500 572205706 /nfs/dbraw/zinc/20/57/06/572205706.db2.gz VYCVVVYNNDBISK-SECBINFHSA-N 0 0 168.623 2.720 10 0 AFAERN C/C=C/C[C@H]1CCCC[C@H]1O 43658125 572205812 /nfs/dbraw/zinc/20/58/12/572205812.db2.gz GTEBPPNLRMXSKB-MDCNRGEUSA-N 0 0 154.253 2.504 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@@H]1C[C@H]1C 713229098 572206657 /nfs/dbraw/zinc/20/66/57/572206657.db2.gz LUKPRDWJMXXFSK-BBBLOLIVSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](CO)C[C@@H](C)CC(F)F 687891275 572205868 /nfs/dbraw/zinc/20/58/68/572205868.db2.gz QESAVHXJNARJSD-SFYZADRCSA-N 0 0 180.238 2.686 10 0 AFAERN CC[C@@H](CO)C[C@@H](C)CC(F)F 687891268 572205870 /nfs/dbraw/zinc/20/58/70/572205870.db2.gz QESAVHXJNARJSD-HTQZYQBOSA-N 0 0 180.238 2.686 10 0 AFAERN C/C=C/C[C@@H]1CCCC[C@H]1O 43658124 572205886 /nfs/dbraw/zinc/20/58/86/572205886.db2.gz GTEBPPNLRMXSKB-HLKOZVMDSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@@H](O)CCCC(C)C 43657720 572205929 /nfs/dbraw/zinc/20/59/29/572205929.db2.gz IDCFJIMYNKBKMB-SECBINFHSA-N 0 0 144.258 2.584 10 0 AFAERN O[C@H]1CCC[C@@H]1Cc1ccc(F)cc1 43656106 572206035 /nfs/dbraw/zinc/20/60/35/572206035.db2.gz CPOHURDXAPYWSI-PWSUYJOCSA-N 0 0 194.249 2.529 10 0 AFAERN c1csc([C@@H]2CCCO2)c1 36419768 572206044 /nfs/dbraw/zinc/20/60/44/572206044.db2.gz SCOYNRVYGDDPQE-ZETCQYMHSA-N 0 0 154.234 2.600 10 0 AFAERN CC[C@](O)(CCCCOC)C(C)C 686328034 572206049 /nfs/dbraw/zinc/20/60/49/572206049.db2.gz WZKHPIIAYCWYSW-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN C[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1O 43661373 572206795 /nfs/dbraw/zinc/20/67/95/572206795.db2.gz JTRSYMMHJPNRJA-RTXFEEFZSA-N 0 0 190.286 2.951 10 0 AFAERN CC(C)=CCC[C@H](O)C(C)C 43657889 572206097 /nfs/dbraw/zinc/20/60/97/572206097.db2.gz XVDRWXTVFRCNQZ-JTQLQIEISA-N 0 0 156.269 2.750 10 0 AFAERN C[C@@H]1CC(=O)c2cccc(F)c21 19972458 572206800 /nfs/dbraw/zinc/20/68/00/572206800.db2.gz QVRBJZBGICCVBJ-ZCFIWIBFSA-N 0 0 164.179 2.516 10 0 AFAERN Cc1ccc(C[C@@H]2CCC[C@H]2O)cc1 43656101 572206179 /nfs/dbraw/zinc/20/61/79/572206179.db2.gz OWLVPEBINQGMHA-QWHCGFSZSA-N 0 0 190.286 2.699 10 0 AFAERN CC[C@H](O)CCCC(C)C 43657719 572206182 /nfs/dbraw/zinc/20/61/82/572206182.db2.gz IDCFJIMYNKBKMB-VIFPVBQESA-N 0 0 144.258 2.584 10 0 AFAERN Cc1ccc([C@H](C)NOC(C)C)cc1 393474345 572206215 /nfs/dbraw/zinc/20/62/15/572206215.db2.gz AVRHBEUDRYDMKG-NSHDSACASA-N 0 0 193.290 2.986 10 0 AFAERN c1ccc2c(c1)Cc1cccnc1N2 36404508 572206324 /nfs/dbraw/zinc/20/63/24/572206324.db2.gz INSMNFIGMFDDDW-UHFFFAOYSA-N 0 0 182.226 2.729 10 0 AFAERN CC[C@@H](CO)C[C@H](C)CC(F)F 687891273 572206335 /nfs/dbraw/zinc/20/63/35/572206335.db2.gz QESAVHXJNARJSD-JGVFFNPUSA-N 0 0 180.238 2.686 10 0 AFAERN COc1ccc2c(c1)CCCS2 36404492 572206377 /nfs/dbraw/zinc/20/63/77/572206377.db2.gz MJISNMAOZJPWTH-UHFFFAOYSA-N 0 0 180.272 2.734 10 0 AFAERN C[C@H]1CCCc2ccccc2[C@@H]1O 43659874 572207425 /nfs/dbraw/zinc/20/74/25/572207425.db2.gz MXLIJTONSHGLJD-JOYOIKCWSA-N 0 0 176.259 2.692 10 0 AFAERN CCC[C@@H]1C[C@]1(O)C[C@H]1C[C@H]1C1CC1 711950887 572206423 /nfs/dbraw/zinc/20/64/23/572206423.db2.gz QXSZCNKLFSFNLK-FVCCEPFGSA-N 0 0 194.318 2.974 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C)CN2 19948078 572206487 /nfs/dbraw/zinc/20/64/87/572206487.db2.gz OSKICKSWZYJCRW-QMMMGPOBSA-N 0 0 147.221 2.524 10 0 AFAERN OC[C@@H]1CCCc2ccc(Cl)cc21 36404806 572206520 /nfs/dbraw/zinc/20/65/20/572206520.db2.gz BQQXMFQVDDBVQJ-VIFPVBQESA-N 0 0 196.677 2.752 10 0 AFAERN CCOc1cccc2c1N[C@@H](C)CC2 19965379 572206558 /nfs/dbraw/zinc/20/65/58/572206558.db2.gz PDGLXBYNUAHOJT-VIFPVBQESA-N 0 0 191.274 2.832 10 0 AFAERN Cc1ccc2c(c1)C(=O)C[C@@H]2C 19972447 572206585 /nfs/dbraw/zinc/20/65/85/572206585.db2.gz JUMAPQDQXYHFDT-QMMMGPOBSA-N 0 0 160.216 2.685 10 0 AFAERN C/C=C/C[C@H]1Cc2ccccc2[C@H]1O 43659108 572206668 /nfs/dbraw/zinc/20/66/68/572206668.db2.gz PPZJSSZQCXHTQD-BZLCLMNCSA-N 0 0 188.270 2.859 10 0 AFAERN O=C(C(C1CC1)C1CC1)C(F)(F)F 687794811 572206698 /nfs/dbraw/zinc/20/66/98/572206698.db2.gz FYQKLQHHGQFBTL-UHFFFAOYSA-N 0 0 192.180 2.554 10 0 AFAERN CC[C@@H](C)c1sccc1N 140402622 572206702 /nfs/dbraw/zinc/20/67/02/572206702.db2.gz DGLQEPBZUUKZQO-ZCFIWIBFSA-N 0 0 155.266 2.844 10 0 AFAERN CCC[C@@H]1C[C@]1(O)C[C@@H]1C[C@H]1C1CC1 711950914 572206712 /nfs/dbraw/zinc/20/67/12/572206712.db2.gz QXSZCNKLFSFNLK-QNWHQSFQSA-N 0 0 194.318 2.974 10 0 AFAERN CCCCC[C@H](C)[C@@H](C)O 43658599 572206834 /nfs/dbraw/zinc/20/68/34/572206834.db2.gz WQADSKJNOTZWML-DTWKUNHWSA-N 0 0 144.258 2.584 10 0 AFAERN Cc1ccc2c(c1C)NC[C@H]2C 19948115 572206876 /nfs/dbraw/zinc/20/68/76/572206876.db2.gz SPYIOIIQOZAWGP-MRVPVSSYSA-N 0 0 161.248 2.832 10 0 AFAERN O=Cc1ccccc1[C@H]1C=CCC1 140394374 572206885 /nfs/dbraw/zinc/20/68/85/572206885.db2.gz ZMCAGMCBDFXOTN-JTQLQIEISA-N 0 0 172.227 2.933 10 0 AFAERN O=C1CCCC[C@@H]1C(F)=C(F)F 36404439 572206984 /nfs/dbraw/zinc/20/69/84/572206984.db2.gz MDEJQBJRMLQRJR-YFKPBYRVSA-N 0 0 178.153 2.823 10 0 AFAERN CCC1(CCCO)CCCC1 36419802 572206998 /nfs/dbraw/zinc/20/69/98/572206998.db2.gz BNWHMRQZAHQNEQ-UHFFFAOYSA-N 0 0 156.269 2.729 10 0 AFAERN CC1=C[C@@H]2CC(C)(C)[C@H]1CC2=O 36404238 572207024 /nfs/dbraw/zinc/20/70/24/572207024.db2.gz FJWFCACDHOJWGQ-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)[C@H](O)[C@H]1C[C@@H]1c1ccccc1 36404667 572207106 /nfs/dbraw/zinc/20/71/06/572207106.db2.gz JXPNYWKDGOOYKR-AGIUHOORSA-N 0 0 190.286 2.807 10 0 AFAERN CC(=O)OC1=CCCc2ccccc21 36404611 572207439 /nfs/dbraw/zinc/20/74/39/572207439.db2.gz GBRZVFKBTFSDHF-UHFFFAOYSA-N 0 0 188.226 2.537 10 0 AFAERN CC(C)C[C@@H]1C[C@@H](C)CC[C@H]1O 43660093 572207520 /nfs/dbraw/zinc/20/75/20/572207520.db2.gz UVVPUWGVJNNPML-HBNTYKKESA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc(S[C@@H](C)[C@H](C)O)cc1 36404802 572207582 /nfs/dbraw/zinc/20/75/82/572207582.db2.gz VMXMURBNNKOYQG-UWVGGRQHSA-N 0 0 196.315 2.856 10 0 AFAERN CC[C@@H]1CCc2ccccc2[C@@H]1O 43659447 572207642 /nfs/dbraw/zinc/20/76/42/572207642.db2.gz GJKPWJBCWHMXCY-BXKDBHETSA-N 0 0 176.259 2.692 10 0 AFAERN CC1CCC(=C/C=C\CO)CC1 393353983 572207662 /nfs/dbraw/zinc/20/76/62/572207662.db2.gz GBAVBGSPLWBZEW-XILSHNDMSA-N 0 0 166.264 2.671 10 0 AFAERN CCOc1cccc2c1NC[C@H]2C 19948168 572207694 /nfs/dbraw/zinc/20/76/94/572207694.db2.gz QTUAKRGGOBYIRO-MRVPVSSYSA-N 0 0 177.247 2.614 10 0 AFAERN S=C(NCc1ccccc1)C1CC1 36372731 572207744 /nfs/dbraw/zinc/20/77/44/572207744.db2.gz UAWVARLTPPYSKU-UHFFFAOYSA-N 0 0 191.299 2.514 10 0 AFAERN CCCc1sccc1NC 140388129 572207754 /nfs/dbraw/zinc/20/77/54/572207754.db2.gz MGOOVMMPNUTNPK-UHFFFAOYSA-N 0 0 155.266 2.742 10 0 AFAERN Cc1cccc2c1NC[C@H]2C 19948066 572207757 /nfs/dbraw/zinc/20/77/57/572207757.db2.gz ONXRUPVHTLWDQO-MRVPVSSYSA-N 0 0 147.221 2.524 10 0 AFAERN C[C@H]1CCCc2ccccc2[C@H]1O 43659878 572207783 /nfs/dbraw/zinc/20/77/83/572207783.db2.gz MXLIJTONSHGLJD-CABZTGNLSA-N 0 0 176.259 2.692 10 0 AFAERN C[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O 43661228 572207801 /nfs/dbraw/zinc/20/78/01/572207801.db2.gz RAHOWIIWWZHXET-GUBZILKMSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1c(C=O)c2cccc3ccc1n32 36404521 572207806 /nfs/dbraw/zinc/20/78/06/572207806.db2.gz CVYBXYSICMIWBS-UHFFFAOYSA-N 0 0 183.210 2.651 10 0 AFAERN CC[C@@](O)(CCCCOC)C(C)C 686328032 572207839 /nfs/dbraw/zinc/20/78/39/572207839.db2.gz WZKHPIIAYCWYSW-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@@H]1C[C@@H]1C 713229093 572207932 /nfs/dbraw/zinc/20/79/32/572207932.db2.gz LUKPRDWJMXXFSK-AEJSXWLSSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc(C[C@@H](C)[C@@H](C)O)cc1C 43658773 572207969 /nfs/dbraw/zinc/20/79/69/572207969.db2.gz RWXUXDSDYIZFKH-VXGBXAGGSA-N 0 0 192.302 2.863 10 0 AFAERN OC[C@H]1CCCc2ccc(Cl)cc21 36404807 572208016 /nfs/dbraw/zinc/20/80/16/572208016.db2.gz BQQXMFQVDDBVQJ-SECBINFHSA-N 0 0 196.677 2.752 10 0 AFAERN C[C@@H]1CC[C@@H](c2ccccc2)C1=O 36404384 572208018 /nfs/dbraw/zinc/20/80/18/572208018.db2.gz YVCPOOUVRFVYIF-KOLCDFICSA-N 0 0 174.243 2.769 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](C)CN2 19948128 572208074 /nfs/dbraw/zinc/20/80/74/572208074.db2.gz LPEIXDNYNGXJNG-VIFPVBQESA-N 0 0 161.248 2.832 10 0 AFAERN CC[C@@H]1CC[C@H](O)[C@H](CC)C1 43660636 572208119 /nfs/dbraw/zinc/20/81/19/572208119.db2.gz SQXWPMLCHGWQQI-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1CCCc2ccccc2[C@H]1O 43659876 572208099 /nfs/dbraw/zinc/20/80/99/572208099.db2.gz MXLIJTONSHGLJD-SKDRFNHKSA-N 0 0 176.259 2.692 10 0 AFAERN CCC[C@@H]1C[C@]1(O)C[C@@H]1C[C@@H]1C1CC1 711950920 572208110 /nfs/dbraw/zinc/20/81/10/572208110.db2.gz QXSZCNKLFSFNLK-UMSGYPCISA-N 0 0 194.318 2.974 10 0 AFAERN CC[C@H]1CCc2ccccc2[C@H]1O 43659453 572208111 /nfs/dbraw/zinc/20/81/11/572208111.db2.gz GJKPWJBCWHMXCY-CABZTGNLSA-N 0 0 176.259 2.692 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@@H]1CC12CC2 713229133 572208236 /nfs/dbraw/zinc/20/82/36/572208236.db2.gz LXEZRSCTIORYRG-UWVGGRQHSA-N 0 0 182.307 2.974 10 0 AFAERN CCC(CC)(CC)n1cn[nH]c1=S 83388206 572208252 /nfs/dbraw/zinc/20/82/52/572208252.db2.gz BRQNHSNCTIGYFD-UHFFFAOYSA-N 0 0 199.323 2.866 10 0 AFAERN CCC(C)(C)C[C@@H](O)[C@@H]1CC12CC2 713229138 572208396 /nfs/dbraw/zinc/20/83/96/572208396.db2.gz LXEZRSCTIORYRG-VHSXEESVSA-N 0 0 182.307 2.974 10 0 AFAERN CC1(C)CC[C@]1(O)CCCC(F)F 687891332 572208259 /nfs/dbraw/zinc/20/82/59/572208259.db2.gz QHQDTZZAAWEVKG-SNVBAGLBSA-N 0 0 192.249 2.973 10 0 AFAERN C=CC(=C)c1cc(OC)ccc1O 36438113 572208299 /nfs/dbraw/zinc/20/82/99/572208299.db2.gz XVHRBIOPQXXKHN-UHFFFAOYSA-N 0 0 176.215 2.600 10 0 AFAERN C[C@@H]1CC(=O)c2cc(F)ccc21 19972448 572208319 /nfs/dbraw/zinc/20/83/19/572208319.db2.gz RXBRIKMPIAEXLF-ZCFIWIBFSA-N 0 0 164.179 2.516 10 0 AFAERN C[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1O 43661377 572208321 /nfs/dbraw/zinc/20/83/21/572208321.db2.gz JTRSYMMHJPNRJA-WXHSDQCUSA-N 0 0 190.286 2.951 10 0 AFAERN Cc1ccc2c(c1)C(=O)C[C@H]2C 19972446 572208322 /nfs/dbraw/zinc/20/83/22/572208322.db2.gz JUMAPQDQXYHFDT-MRVPVSSYSA-N 0 0 160.216 2.685 10 0 AFAERN C/C=C/C[C@@H]1C[C@@H](C)CC[C@@H]1O 43660044 572208362 /nfs/dbraw/zinc/20/83/62/572208362.db2.gz NREBESWCPHZOEH-KVNXUHIHSA-N 0 0 168.280 2.750 10 0 AFAERN Cc1ccc2c(c1)[C@H](C)CN2 19948074 572208363 /nfs/dbraw/zinc/20/83/63/572208363.db2.gz OSKICKSWZYJCRW-MRVPVSSYSA-N 0 0 147.221 2.524 10 0 AFAERN CC1(C)CC[C@@]1(O)CCCC(F)F 687891325 572208368 /nfs/dbraw/zinc/20/83/68/572208368.db2.gz QHQDTZZAAWEVKG-JTQLQIEISA-N 0 0 192.249 2.973 10 0 AFAERN C/C=C/C[C@H]1CCCCC[C@H]1O 43658816 572208489 /nfs/dbraw/zinc/20/84/89/572208489.db2.gz LQNCZEFJMZPPLY-ZROCKMJXSA-N 0 0 168.280 2.894 10 0 AFAERN C/C=C/C[C@@H]1Cc2ccccc2[C@H]1O 43659107 572208619 /nfs/dbraw/zinc/20/86/19/572208619.db2.gz PPZJSSZQCXHTQD-KTTDLOKESA-N 0 0 188.270 2.859 10 0 AFAERN CCOc1cccc2c1NC[C@@H]2C 19948165 572208532 /nfs/dbraw/zinc/20/85/32/572208532.db2.gz QTUAKRGGOBYIRO-QMMMGPOBSA-N 0 0 177.247 2.614 10 0 AFAERN Clc1ccc2ccccn12 36437682 572208535 /nfs/dbraw/zinc/20/85/35/572208535.db2.gz ULDFQVVAWDBBBA-UHFFFAOYSA-N 0 0 151.596 2.593 10 0 AFAERN CNC(=O)S[C@@]1(C)C=CCCC1 36420188 572208585 /nfs/dbraw/zinc/20/85/85/572208585.db2.gz DTACZKIZDHVZNU-VIFPVBQESA-N 0 0 185.292 2.558 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@H]1C[C@H]1C 713229107 572208593 /nfs/dbraw/zinc/20/85/93/572208593.db2.gz LUKPRDWJMXXFSK-UTLUCORTSA-N 0 0 170.296 2.830 10 0 AFAERN CCOCCC(=O)[C@H]1CC[C@H](CC)C1 687794937 572209425 /nfs/dbraw/zinc/20/94/25/572209425.db2.gz DJKROXATTWXCHH-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CCCCC[C@H](C)[C@H](C)O 43658603 572208771 /nfs/dbraw/zinc/20/87/71/572208771.db2.gz WQADSKJNOTZWML-IUCAKERBSA-N 0 0 144.258 2.584 10 0 AFAERN CCC(C)(C)C[C@H](O)[C@H]1CC12CC2 713229145 572208778 /nfs/dbraw/zinc/20/87/78/572208778.db2.gz LXEZRSCTIORYRG-ZJUUUORDSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H]1CC(=O)c2cc(F)ccc21 19972449 572208823 /nfs/dbraw/zinc/20/88/23/572208823.db2.gz RXBRIKMPIAEXLF-LURJTMIESA-N 0 0 164.179 2.516 10 0 AFAERN CCC[C@@H]1C[C@]1(O)C[C@H]1C[C@@H]1C1CC1 711950879 572208906 /nfs/dbraw/zinc/20/89/06/572208906.db2.gz QXSZCNKLFSFNLK-FDYHWXHSSA-N 0 0 194.318 2.974 10 0 AFAERN CN[C@H](c1ccsc1C)C(F)F 234413086 572209432 /nfs/dbraw/zinc/20/94/32/572209432.db2.gz PNPQBEGMXXZJNG-SSDOTTSWSA-N 0 0 191.246 2.582 10 0 AFAERN CCOCCC(=O)[C@H]1CC[C@@H](CC)C1 687794936 572209245 /nfs/dbraw/zinc/20/92/45/572209245.db2.gz DJKROXATTWXCHH-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CC1=CC(C)(C)C[C@H](O)CC1 36447941 572209324 /nfs/dbraw/zinc/20/93/24/572209324.db2.gz SKJNVRHZTQWYGM-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CCOCCC(=O)[C@@H]1CC[C@H](CC)C1 687794938 572209521 /nfs/dbraw/zinc/20/95/21/572209521.db2.gz DJKROXATTWXCHH-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CCOCCC(=O)[C@@H]1CC[C@@H](CC)C1 687794935 572209553 /nfs/dbraw/zinc/20/95/53/572209553.db2.gz DJKROXATTWXCHH-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CN[C@H](c1sccc1C)C(F)F 234413910 572209589 /nfs/dbraw/zinc/20/95/89/572209589.db2.gz YSVNONDTBIZFBF-ZCFIWIBFSA-N 0 0 191.246 2.582 10 0 AFAERN O=C1CC2CCCC(CCC2)C1 36437971 572209734 /nfs/dbraw/zinc/20/97/34/572209734.db2.gz SXVPLPQPJREGKS-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc(C)cc(-c2ccc(N)cn2)c1 41209415 572210376 /nfs/dbraw/zinc/21/03/76/572210376.db2.gz ZQJDYERXBXUIAT-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(C)CCOCCC(=O)[C@@H]1C[C@@H]1C 687795192 572210642 /nfs/dbraw/zinc/21/06/42/572210642.db2.gz FKMDPBCHALATQN-WDEREUQCSA-N 0 0 198.306 2.664 10 0 AFAERN COC[C@@H](C(C)C)n1c(C)ccc1C 83400511 572210426 /nfs/dbraw/zinc/21/04/26/572210426.db2.gz YYRJSKVDONNVPW-LBPRGKRZSA-N 0 0 195.306 2.948 10 0 AFAERN CC1=C[C@@H](C)[C@@H]2C(=O)CC[C@@]2(C)C1 36459020 572210431 /nfs/dbraw/zinc/21/04/31/572210431.db2.gz YVBIHYPZJMFNTQ-JLLWLGSASA-N 0 0 178.275 2.958 10 0 AFAERN CCSCc1ccc(C)o1 36458704 572210443 /nfs/dbraw/zinc/21/04/43/572210443.db2.gz ZBOPNPPSOUKMBL-UHFFFAOYSA-N 0 0 156.250 2.841 10 0 AFAERN CC(C)CCOCCC(=O)[C@H]1C[C@H]1C 687795190 572210465 /nfs/dbraw/zinc/21/04/65/572210465.db2.gz FKMDPBCHALATQN-MNOVXSKESA-N 0 0 198.306 2.664 10 0 AFAERN CCc1ccc(-c2ccc(N)cn2)cc1 41209403 572210492 /nfs/dbraw/zinc/21/04/92/572210492.db2.gz KUVIXZYDGBSNTE-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN O=C1CCCC/C=C\CCCCCN1 36456222 572210513 /nfs/dbraw/zinc/21/05/13/572210513.db2.gz JSKVLPMUZCFIFO-UPHRSURJSA-N 0 0 195.306 2.793 10 0 AFAERN CCCC[C@H](O)c1ccsc1 36458865 572210531 /nfs/dbraw/zinc/21/05/31/572210531.db2.gz RGCIBLOIRFHCKA-VIFPVBQESA-N 0 0 170.277 2.972 10 0 AFAERN Cc1ccc(C)c(-c2ccc(N)cn2)c1 41209409 572210539 /nfs/dbraw/zinc/21/05/39/572210539.db2.gz AIIHZUHFPPUKPQ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN O=C1CCc2cc3ccoc3cc21 36455928 572210813 /nfs/dbraw/zinc/21/08/13/572210813.db2.gz XNHWTYXUPSNBRJ-UHFFFAOYSA-N 0 0 172.183 2.562 10 0 AFAERN COC(OC)c1ccc2occc2c1 36456171 572210761 /nfs/dbraw/zinc/21/07/61/572210761.db2.gz GXPJEYNIHJILGW-UHFFFAOYSA-N 0 0 192.214 2.724 10 0 AFAERN CC(C)C[C@@H]1CC[C@H](O)[C@@H](C)C1 36455912 572210773 /nfs/dbraw/zinc/21/07/73/572210773.db2.gz UDPKUAIUDYPHMS-DCAQKATOSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc(-c2ccc(N)cn2)cc1C 41209421 572210807 /nfs/dbraw/zinc/21/08/07/572210807.db2.gz LTSFVKTVGSSSTA-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCC[C@@H](C)c1nc(C(C)=O)c[nH]1 394151533 572211098 /nfs/dbraw/zinc/21/10/98/572211098.db2.gz UYGVZRJNEWECJW-SSDOTTSWSA-N 0 0 180.251 2.516 10 0 AFAERN O=C1CCCCC2=CCC[C@H]1C2 36448026 572211010 /nfs/dbraw/zinc/21/10/10/572211010.db2.gz DLPDOIXFOKJYAD-JTQLQIEISA-N 0 0 164.248 2.856 10 0 AFAERN C[C@@H]1CC([C@@H](O)C2CC2)C[C@H](C)C1 220253265 572211018 /nfs/dbraw/zinc/21/10/18/572211018.db2.gz VFVYWWGQZMMCGJ-BTTNHGBXSA-N 0 0 182.307 2.830 10 0 AFAERN O[C@H](c1ccsc1)C1CCCC1 36453668 572211028 /nfs/dbraw/zinc/21/10/28/572211028.db2.gz HCOCZTQWQMJOCC-JTQLQIEISA-N 0 0 182.288 2.972 10 0 AFAERN CC[C@@H]1Nc2ccccc2[C@@H]1C 36458766 572211272 /nfs/dbraw/zinc/21/12/72/572211272.db2.gz QXMTXARTSNIIBT-WPRPVWTQSA-N 0 0 161.248 2.994 10 0 AFAERN CCOCc1cccc2c1NCCC2 20247041 572211254 /nfs/dbraw/zinc/21/12/54/572211254.db2.gz IJGGZUQGRVMNRO-UHFFFAOYSA-N 0 0 191.274 2.581 10 0 AFAERN O=C1CCCC[C@@H]2CCCC[C@@H]12 196467076 572213075 /nfs/dbraw/zinc/21/30/75/572213075.db2.gz VXKGUFHXCQYSLH-VHSXEESVSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1CC[C@H]2[C@@H]1C(=O)CC2(C)C 43762022 572211399 /nfs/dbraw/zinc/21/13/99/572211399.db2.gz DPIJOIKBXRGPTR-KHQFGBGNSA-N 0 0 166.264 2.648 10 0 AFAERN O[C@@H](c1ccsc1)C1CCCC1 36453667 572211428 /nfs/dbraw/zinc/21/14/28/572211428.db2.gz HCOCZTQWQMJOCC-SNVBAGLBSA-N 0 0 182.288 2.972 10 0 AFAERN C[C@@H]1CC([C@@H](O)C2CC2)C[C@@H](C)C1 220253335 572211438 /nfs/dbraw/zinc/21/14/38/572211438.db2.gz VFVYWWGQZMMCGJ-AUTRQRHGSA-N 0 0 182.307 2.830 10 0 AFAERN CCCC[C@@H](O)c1ccsc1 36458866 572211507 /nfs/dbraw/zinc/21/15/07/572211507.db2.gz RGCIBLOIRFHCKA-SECBINFHSA-N 0 0 170.277 2.972 10 0 AFAERN CC[C@H](C(C)=O)c1ccsc1 196464853 572211638 /nfs/dbraw/zinc/21/16/38/572211638.db2.gz LNLXPNFKJYHFJH-SECBINFHSA-N 0 0 168.261 2.831 10 0 AFAERN O=C1[C@H]2CCC[C@@H]3CCC[C@@]13CC2 36459021 572211734 /nfs/dbraw/zinc/21/17/34/572211734.db2.gz VEZYFLBMMNGCMZ-UMNHJUIQSA-N 0 0 178.275 2.936 10 0 AFAERN COc1cccc(O)c1CC=C(C)C 36448441 572211746 /nfs/dbraw/zinc/21/17/46/572211746.db2.gz SOFMGTNYXJLNON-UHFFFAOYSA-N 0 0 192.258 2.910 10 0 AFAERN CC(C)CCOCCC(=O)[C@@H]1C[C@H]1C 687795189 572211751 /nfs/dbraw/zinc/21/17/51/572211751.db2.gz FKMDPBCHALATQN-GHMZBOCLSA-N 0 0 198.306 2.664 10 0 AFAERN Cc1coc2c1[C@H](O)CCCCC2 196464613 572211790 /nfs/dbraw/zinc/21/17/90/572211790.db2.gz RBGLEQLBYPANOB-SECBINFHSA-N 0 0 180.247 2.738 10 0 AFAERN CC(=O)[C@@H]1CC=C2CCC[C@@H]2C1 43762289 572211805 /nfs/dbraw/zinc/21/18/05/572211805.db2.gz ZWZRDTKZZVFIBH-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)CCOCCC(=O)CC1CC1 687795283 572211816 /nfs/dbraw/zinc/21/18/16/572211816.db2.gz GXWVXJVRNAPLSD-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCCCCN(N)CCCCC 113090709 572211839 /nfs/dbraw/zinc/21/18/39/572211839.db2.gz FGKZIHGGOONGHE-UHFFFAOYSA-N 0 0 172.316 2.543 10 0 AFAERN Cc1cc(C)c(CC[C@@H](C)O)cc1C 36456184 572211910 /nfs/dbraw/zinc/21/19/10/572211910.db2.gz KVBTVZIPYCAQPO-GFCCVEGCSA-N 0 0 192.302 2.925 10 0 AFAERN C/C(=C/CO)C1=CCCC[C@H]1C 140413932 572213455 /nfs/dbraw/zinc/21/34/55/572213455.db2.gz BAVAXWJBQWLAAC-SBMLRHLQSA-N 0 0 166.264 2.671 10 0 AFAERN C[C@@H]1CC(C)(C)[C@H]2CCC(=O)[C@H]21 43762351 572211932 /nfs/dbraw/zinc/21/19/32/572211932.db2.gz HFVKMQZQCXVGLN-WEDXCCLWSA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)C(C)(C)C[C@H](O)C1CC1 713230123 572211936 /nfs/dbraw/zinc/21/19/36/572211936.db2.gz QWTBNLHBSDVMPJ-JTQLQIEISA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1CCCC(=O)[C@@H]2[C@@H](C)C=C[C@@H]12 36459022 572211999 /nfs/dbraw/zinc/21/19/99/572211999.db2.gz AEHZPJVBROWCEN-QFOLPQNPSA-N 0 0 178.275 2.814 10 0 AFAERN CCCCc1nc2ccccc2n1C 36456120 572212082 /nfs/dbraw/zinc/21/20/82/572212082.db2.gz CVEDPUKTUHMBQU-UHFFFAOYSA-N 0 0 188.274 2.916 10 0 AFAERN ClC1(Cl)[C@H]2CCCOCC[C@H]21 43761635 572212086 /nfs/dbraw/zinc/21/20/86/572212086.db2.gz VLASSIPHJPETHI-NKWVEPMBSA-N 0 0 195.089 2.607 10 0 AFAERN Cc1ccc(-c2ccc(N)cn2)c(C)c1 41209426 572212106 /nfs/dbraw/zinc/21/21/06/572212106.db2.gz HHOPVBXJCNOSOU-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C/C(=C\CC1CCCCC1)CO 36448111 572212131 /nfs/dbraw/zinc/21/21/31/572212131.db2.gz GCVTYLINEFNJSA-JXMROGBWSA-N 0 0 168.280 2.895 10 0 AFAERN Cc1ccc(C)c([C@@H]2CCC(=O)O2)c1 36448408 572212134 /nfs/dbraw/zinc/21/21/34/572212134.db2.gz JISKXRNPMHESIF-NSHDSACASA-N 0 0 190.242 2.682 10 0 AFAERN CC1(C)CC[C@]2(C)CCC(=O)[C@H]12 43762271 572212153 /nfs/dbraw/zinc/21/21/53/572212153.db2.gz VFRXUHGKZGDITM-KOLCDFICSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc(C)c(CC[C@H](C)O)cc1C 36456185 572212154 /nfs/dbraw/zinc/21/21/54/572212154.db2.gz KVBTVZIPYCAQPO-LBPRGKRZSA-N 0 0 192.302 2.925 10 0 AFAERN COc1cc2c(C)c[nH]c2cc1C 36476535 572213900 /nfs/dbraw/zinc/21/39/00/572213900.db2.gz BTVFPDDFODAJJA-UHFFFAOYSA-N 0 0 175.231 2.793 10 0 AFAERN C[C@H]1CCCC[C@@]1([NH3+])c1ccco1 36459036 572212240 /nfs/dbraw/zinc/21/22/40/572212240.db2.gz VNBSNKCUEZOCGV-ONGXEEELSA-N 0 0 179.263 2.644 10 0 AFAERN Cc1coc2c1[C@@H](O)CCCCC2 196464621 572212245 /nfs/dbraw/zinc/21/22/45/572212245.db2.gz RBGLEQLBYPANOB-VIFPVBQESA-N 0 0 180.247 2.738 10 0 AFAERN CO/C=C/[C@]12CC[C@H](CC1=O)C2(C)C 43762737 572212383 /nfs/dbraw/zinc/21/23/83/572212383.db2.gz DKRGHWWBDXOBPC-HHPMHXJSSA-N 0 0 194.274 2.542 10 0 AFAERN C[C@@H]1CC[C@]23C(=O)C=C[C@@]2(C)CC[C@H]13 43762418 572212388 /nfs/dbraw/zinc/21/23/88/572212388.db2.gz LGSLWJIRMBQROG-WFFHOREQSA-N 0 0 190.286 2.958 10 0 AFAERN CCC(=O)[C@@H](C)c1ccsc1 196464881 572212390 /nfs/dbraw/zinc/21/23/90/572212390.db2.gz KPSGIKJCDXCBGR-ZETCQYMHSA-N 0 0 168.261 2.831 10 0 AFAERN C[C@H]1CCC(C)(C)CC(=O)C1 196467457 572212407 /nfs/dbraw/zinc/21/24/07/572212407.db2.gz URJNQUPTCBGUSP-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN O=C1CCCC[C@@H]2CCCC[C@H]12 196467087 572212426 /nfs/dbraw/zinc/21/24/26/572212426.db2.gz VXKGUFHXCQYSLH-UWVGGRQHSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1CCC(C)(C)CC(=O)C1 196467448 572212428 /nfs/dbraw/zinc/21/24/28/572212428.db2.gz URJNQUPTCBGUSP-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)[C@@H]1CC[C@@]2(C)OC(=O)C=C[C@@H]12 43762429 572212484 /nfs/dbraw/zinc/21/24/84/572212484.db2.gz MLLDOOXUYGNYNJ-JBLDHEPKSA-N 0 0 194.274 2.540 10 0 AFAERN CC1(C)CCC(=O)[C@@]2(C)C[C@H]2C1 43762027 572212559 /nfs/dbraw/zinc/21/25/59/572212559.db2.gz QVXCDKQRNWXYNN-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN CC1=CC=CC(C)(C)C[C@H]1CO 36466420 572212619 /nfs/dbraw/zinc/21/26/19/572212619.db2.gz KTGTWOXVLKQUKM-JTQLQIEISA-N 0 0 166.264 2.527 10 0 AFAERN CC1(C)CCC(=O)[C@@]2(C)C[C@@H]2C1 43762026 572212656 /nfs/dbraw/zinc/21/26/56/572212656.db2.gz QVXCDKQRNWXYNN-KWQFWETISA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H]1CC[C@H](C(=O)[C@@H](C)COC)C1 687794974 572212686 /nfs/dbraw/zinc/21/26/86/572212686.db2.gz JEWROFWRMOCJCL-AXFHLTTASA-N 0 0 198.306 2.664 10 0 AFAERN BrC=C1CCCC1 196469850 572212690 /nfs/dbraw/zinc/21/26/90/572212690.db2.gz YMCROFMMUWCAFP-UHFFFAOYSA-N 0 0 161.042 2.839 10 0 AFAERN O[C@@H]1CCCCCCc2occc21 196464516 572212742 /nfs/dbraw/zinc/21/27/42/572212742.db2.gz REQRFLSFQRQRRX-SNVBAGLBSA-N 0 0 180.247 2.820 10 0 AFAERN O=C1CCC=C2CCC[C@@H]2CC1 43762292 572212799 /nfs/dbraw/zinc/21/27/99/572212799.db2.gz ZVMAXSIPRMCRMO-SNVBAGLBSA-N 0 0 164.248 2.856 10 0 AFAERN C[C@@H]1C=CC[C@H]2CCCC(=O)[C@@H]12 36466375 572212853 /nfs/dbraw/zinc/21/28/53/572212853.db2.gz BTCZYJPSPRMTAM-YWVKMMECSA-N 0 0 164.248 2.568 10 0 AFAERN CC[C@@H](C(C)=O)c1ccsc1 196464862 572212903 /nfs/dbraw/zinc/21/29/03/572212903.db2.gz LNLXPNFKJYHFJH-VIFPVBQESA-N 0 0 168.261 2.831 10 0 AFAERN CC(C)=C[C@@]12CCC[C@@H]1CCC(=O)O2 43762298 572213034 /nfs/dbraw/zinc/21/30/34/572213034.db2.gz VTLKBAPZTARNCC-PWSUYJOCSA-N 0 0 194.274 2.829 10 0 AFAERN CCC(=O)[C@H](C)c1ccsc1 196464894 572213123 /nfs/dbraw/zinc/21/31/23/572213123.db2.gz KPSGIKJCDXCBGR-SSDOTTSWSA-N 0 0 168.261 2.831 10 0 AFAERN CC(C)[C@@H]1CC[C@]2(C)C=C[C@]12CO 43762262 572213163 /nfs/dbraw/zinc/21/31/63/572213163.db2.gz CEUYAPFWNJBFEM-TUAOUCFPSA-N 0 0 180.291 2.607 10 0 AFAERN C/C(=C/CO)C1=CCCC[C@@H]1C 140414103 572213954 /nfs/dbraw/zinc/21/39/54/572213954.db2.gz BAVAXWJBQWLAAC-CBFJXKFUSA-N 0 0 166.264 2.671 10 0 AFAERN O[C@H]1CCCCCCc2occc21 196464524 572213312 /nfs/dbraw/zinc/21/33/12/572213312.db2.gz REQRFLSFQRQRRX-JTQLQIEISA-N 0 0 180.247 2.820 10 0 AFAERN CC[C@@H]1CC[C@@H](C(=O)[C@@H](C)COC)C1 687794976 572213317 /nfs/dbraw/zinc/21/33/17/572213317.db2.gz JEWROFWRMOCJCL-HBNTYKKESA-N 0 0 198.306 2.664 10 0 AFAERN C[C@H]1CCC[C@@H]2CC(=O)C[C@]12C 36466414 572213380 /nfs/dbraw/zinc/21/33/80/572213380.db2.gz ADURXUWRADVXRH-IQJOONFLSA-N 0 0 166.264 2.792 10 0 AFAERN O=Nc1cccc(Br)c1 36466715 572213448 /nfs/dbraw/zinc/21/34/48/572213448.db2.gz RHIKGCGTJHKUGB-UHFFFAOYSA-N 0 0 186.008 2.847 10 0 AFAERN Cc1cccc(-c2ccc(CO)o2)c1 20267775 572213889 /nfs/dbraw/zinc/21/38/89/572213889.db2.gz FZNMGGFDIBYAIE-UHFFFAOYSA-N 0 0 188.226 2.747 10 0 AFAERN CC12CCC(=O)C(C)(CC1)CC2 196473583 572214026 /nfs/dbraw/zinc/21/40/26/572214026.db2.gz LSNOEYNQBMPMRH-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC(=O)O[C@H]1CCC(C)(C)C=C1C 36466659 572214128 /nfs/dbraw/zinc/21/41/28/572214128.db2.gz DAYZBIJFCIIFJX-JTQLQIEISA-N 0 0 182.263 2.684 10 0 AFAERN CCC[C@H](C)CC(=O)CCCOC 83439094 572214300 /nfs/dbraw/zinc/21/43/00/572214300.db2.gz WOBUFDVRHBQXFO-JTQLQIEISA-N 0 0 186.295 2.808 10 0 AFAERN CNc1ccccc1C(=O)C(C)C 36466576 572214374 /nfs/dbraw/zinc/21/43/74/572214374.db2.gz GDBRCRBAGURLJJ-UHFFFAOYSA-N 0 0 177.247 2.567 10 0 AFAERN CCONCc1ccc(C(C)C)cc1 70267543 572214377 /nfs/dbraw/zinc/21/43/77/572214377.db2.gz XGDILAJFQGRSNH-UHFFFAOYSA-N 0 0 193.290 2.851 10 0 AFAERN C/C(=C\[C@H](C)c1ccccc1)CO 113644896 572214393 /nfs/dbraw/zinc/21/43/93/572214393.db2.gz VVHXXMHMQYUMOB-UQSGXBNBSA-N 0 0 176.259 2.729 10 0 AFAERN C=C=CCC[C@@H]1CCCCC1=O 196209686 572216134 /nfs/dbraw/zinc/21/61/34/572216134.db2.gz GZBYMRFPNGAOQB-SNVBAGLBSA-N 0 0 164.248 2.867 10 0 AFAERN CC[C@@H]1CC[C@@H](C(=O)[C@H](C)COC)C1 687794975 572214469 /nfs/dbraw/zinc/21/44/69/572214469.db2.gz JEWROFWRMOCJCL-GMTAPVOTSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@@H]1CC[C@H](C(=O)[C@H](C)COC)C1 687794977 572214475 /nfs/dbraw/zinc/21/44/75/572214475.db2.gz JEWROFWRMOCJCL-MXWKQRLJSA-N 0 0 198.306 2.664 10 0 AFAERN CCCCCC[C@H](O)C(C)(F)F 393361805 572214485 /nfs/dbraw/zinc/21/44/85/572214485.db2.gz WHNKVHIKAOHMIB-QMMMGPOBSA-N 0 0 180.238 2.973 10 0 AFAERN CC(C)C[C@H](CO)c1ccc(F)cc1 41207357 572214489 /nfs/dbraw/zinc/21/44/89/572214489.db2.gz SEELXXMZMODYCR-LLVKDONJSA-N 0 0 196.265 2.948 10 0 AFAERN CC1=CC=CC(C)(C)C[C@@H]1CO 36466419 572214575 /nfs/dbraw/zinc/21/45/75/572214575.db2.gz KTGTWOXVLKQUKM-SNVBAGLBSA-N 0 0 166.264 2.527 10 0 AFAERN Cc1csc2c1CN=C(Cl)N2 196213784 572216431 /nfs/dbraw/zinc/21/64/31/572216431.db2.gz JENNJFDMCWTCTO-UHFFFAOYSA-N 0 0 186.667 2.577 10 0 AFAERN CCC[C@@H](C)CC(=O)CCCOC 83439093 572214696 /nfs/dbraw/zinc/21/46/96/572214696.db2.gz WOBUFDVRHBQXFO-SNVBAGLBSA-N 0 0 186.295 2.808 10 0 AFAERN CCC[C@@H](C)C[C@H](O)CCCOC 83439194 572214699 /nfs/dbraw/zinc/21/46/99/572214699.db2.gz ICCVOCBZKKTDDJ-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CC1([C@H]2CCCCC2=O)CC1 196208517 572216567 /nfs/dbraw/zinc/21/65/67/572216567.db2.gz YEOPXUYTDYWGMI-QMMMGPOBSA-N 0 0 152.237 2.546 10 0 AFAERN c1ccc2nc3c(c-2cc1)CCC3 196472356 572214767 /nfs/dbraw/zinc/21/47/67/572214767.db2.gz JLTIZIVWCIRJDV-UHFFFAOYSA-N 0 0 169.227 2.675 10 0 AFAERN CCCCCC[C@H](O)CCCOC 83439188 572214813 /nfs/dbraw/zinc/21/48/13/572214813.db2.gz ANIMOLDVHDEIPJ-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)C[C@@H](CO)c1ccc(F)cc1 41207356 572214847 /nfs/dbraw/zinc/21/48/47/572214847.db2.gz SEELXXMZMODYCR-NSHDSACASA-N 0 0 196.265 2.948 10 0 AFAERN CC[C@H](C)CC(=O)CC[C@@H]1CCOC1 401031310 572214997 /nfs/dbraw/zinc/21/49/97/572214997.db2.gz CIEKJGKEZGRYAW-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN COCCC[C@H](O)CCC(C)(C)C 83439224 572214880 /nfs/dbraw/zinc/21/48/80/572214880.db2.gz UBUHYESGCLGJLA-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN c1ccc2c(c1)cc1n2C[C@H]2C[C@@H]12 196477916 572214906 /nfs/dbraw/zinc/21/49/06/572214906.db2.gz NLYQKXGBTFOTMD-NXEZZACHSA-N 0 0 169.227 2.758 10 0 AFAERN c1ccc2c(c1)cc1n2C[C@@H]2C[C@H]12 196477909 572214964 /nfs/dbraw/zinc/21/49/64/572214964.db2.gz NLYQKXGBTFOTMD-UWVGGRQHSA-N 0 0 169.227 2.758 10 0 AFAERN COCCCC(=O)CC1CCCC1 83439112 572215026 /nfs/dbraw/zinc/21/50/26/572215026.db2.gz FLPAHRCQFXYDPB-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCCCC[C@H](O)C(C)(F)F 393361537 572215204 /nfs/dbraw/zinc/21/52/04/572215204.db2.gz VVMLCJRYARXRRR-ZETCQYMHSA-N 0 0 166.211 2.583 10 0 AFAERN COCCC[C@@H](O)CCC(C)(C)C 83439220 572215447 /nfs/dbraw/zinc/21/54/47/572215447.db2.gz UBUHYESGCLGJLA-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCCCC(=O)CCCOC 83439038 572215477 /nfs/dbraw/zinc/21/54/77/572215477.db2.gz RUEVQYLOZFNEOD-UHFFFAOYSA-N 0 0 186.295 2.953 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)CCCOC 83439200 572215498 /nfs/dbraw/zinc/21/54/98/572215498.db2.gz ICCVOCBZKKTDDJ-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN CCC[C@H](C)C[C@H](O)CCCOC 83439198 572215554 /nfs/dbraw/zinc/21/55/54/572215554.db2.gz ICCVOCBZKKTDDJ-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCC[C@H](C)C[C@@H](O)CCCOC 83439205 572215613 /nfs/dbraw/zinc/21/56/13/572215613.db2.gz ICCVOCBZKKTDDJ-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCC[C@@H](O)C(C)(F)F 393361536 572215743 /nfs/dbraw/zinc/21/57/43/572215743.db2.gz VVMLCJRYARXRRR-SSDOTTSWSA-N 0 0 166.211 2.583 10 0 AFAERN CC1=CCCC(=O)C(C)(C)C1 196473670 572215812 /nfs/dbraw/zinc/21/58/12/572215812.db2.gz FOCJCZRHOYBSCS-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)c1ccc2c(c1)NCCO2 20269530 572215800 /nfs/dbraw/zinc/21/58/00/572215800.db2.gz IDYJPRMWUQJDGI-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN Cc1cccc(-c2nccc(C)c2N)c1 235901501 572215855 /nfs/dbraw/zinc/21/58/55/572215855.db2.gz GIWYVWXAHMBOTA-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCCCC[C@@H](O)CCCOC 83439192 572215993 /nfs/dbraw/zinc/21/59/93/572215993.db2.gz ANIMOLDVHDEIPJ-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN COCCCC(=O)CCC(C)(C)C 83439041 572216045 /nfs/dbraw/zinc/21/60/45/572216045.db2.gz DAGAVNBPRWYEJY-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN Cc1cc2cc(N)ccc2nc1Cl 20270988 572216049 /nfs/dbraw/zinc/21/60/49/572216049.db2.gz LYYCXFWGQVDORE-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Cc1scc2c1CN=C(Cl)N2 196213819 572216096 /nfs/dbraw/zinc/21/60/96/572216096.db2.gz HPONSGUMPIIFOM-UHFFFAOYSA-N 0 0 186.667 2.577 10 0 AFAERN O=C1CCC[C@@]23CCC[C@@H]2C[C@@H]13 196204776 572216102 /nfs/dbraw/zinc/21/61/02/572216102.db2.gz RNURRIIIVVJBDS-YWVKMMECSA-N 0 0 164.248 2.546 10 0 AFAERN CCC[C@H](CO)c1ccc(C)cc1 41200503 572216180 /nfs/dbraw/zinc/21/61/80/572216180.db2.gz KEOFQRSUDRRBOI-GFCCVEGCSA-N 0 0 178.275 2.871 10 0 AFAERN C[C@]12CCCC=C1CC(=O)CC2 196206105 572216198 /nfs/dbraw/zinc/21/61/98/572216198.db2.gz UTRSZKGSOWHIBK-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN C=C=CCC[C@H]1CCCCC1=O 196209692 572216336 /nfs/dbraw/zinc/21/63/36/572216336.db2.gz GZBYMRFPNGAOQB-JTQLQIEISA-N 0 0 164.248 2.867 10 0 AFAERN CC1(C)CC2(CCCCC2)C1=O 196210998 572216358 /nfs/dbraw/zinc/21/63/58/572216358.db2.gz YASIISOEFBLRHA-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@H]([NH3+])c1ccc(-c2ccccc2)o1 20267827 572216382 /nfs/dbraw/zinc/21/63/82/572216382.db2.gz UGRRSZFAOGWZNS-VIFPVBQESA-N 0 0 187.242 2.966 10 0 AFAERN Cc1cc2c(s1)CN=C(Cl)N2 196213808 572216416 /nfs/dbraw/zinc/21/64/16/572216416.db2.gz YVTLTTKZYGKIHS-UHFFFAOYSA-N 0 0 186.667 2.577 10 0 AFAERN Cc1cc2c(s1)NC(Cl)=NC2 196213793 572216449 /nfs/dbraw/zinc/21/64/49/572216449.db2.gz UBFBXMXMRUIASV-UHFFFAOYSA-N 0 0 186.667 2.577 10 0 AFAERN CC1([C@@H]2CCCCC2=O)CC1 196208511 572216491 /nfs/dbraw/zinc/21/64/91/572216491.db2.gz YEOPXUYTDYWGMI-MRVPVSSYSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@@]12CCCC=C1CC(=O)CC2 196206101 572216508 /nfs/dbraw/zinc/21/65/08/572216508.db2.gz UTRSZKGSOWHIBK-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN CC(=O)CCC=C(Cl)Cl 196208206 572216527 /nfs/dbraw/zinc/21/65/27/572216527.db2.gz KKWKHIIUKBXNEU-UHFFFAOYSA-N 0 0 167.035 2.675 10 0 AFAERN CCCCCC[C@@H](O)C(C)(F)F 393361804 572216572 /nfs/dbraw/zinc/21/65/72/572216572.db2.gz WHNKVHIKAOHMIB-MRVPVSSYSA-N 0 0 180.238 2.973 10 0 AFAERN CC(C)CCNc1ccc(F)cc1N 20382826 572216980 /nfs/dbraw/zinc/21/69/80/572216980.db2.gz GUPLKDIKPSMMIR-UHFFFAOYSA-N 0 0 196.269 2.866 10 0 AFAERN CC(C)[C@H](C)Nc1ccc(Cl)nn1 20310554 572216995 /nfs/dbraw/zinc/21/69/95/572216995.db2.gz DIQYSWXIYGNKOD-ZETCQYMHSA-N 0 0 199.685 2.586 10 0 AFAERN CC[C@H]1CCC[C@H](c2nc(O)c[nH]2)C1 234100351 572217007 /nfs/dbraw/zinc/21/70/07/572217007.db2.gz VTDTVORBKSVPOZ-IUCAKERBSA-N 0 0 194.278 2.799 10 0 AFAERN CCCC[C@H](C)[C@H](CCC1CC1)NN 300982161 572217074 /nfs/dbraw/zinc/21/70/74/572217074.db2.gz UNAFJPMLQSGONJ-JQWIXIFHSA-N 0 0 198.354 2.835 10 0 AFAERN CCCC[C@@H](C)[C@H](CCC1CC1)NN 300982162 572217503 /nfs/dbraw/zinc/21/75/03/572217503.db2.gz UNAFJPMLQSGONJ-PWSUYJOCSA-N 0 0 198.354 2.835 10 0 AFAERN CC(C)[C@@H](C)Nc1ccc(Cl)nn1 20310551 572217739 /nfs/dbraw/zinc/21/77/39/572217739.db2.gz DIQYSWXIYGNKOD-SSDOTTSWSA-N 0 0 199.685 2.586 10 0 AFAERN CC(C)Nc1ccc(N)cc1Cl 20381501 572217849 /nfs/dbraw/zinc/21/78/49/572217849.db2.gz PULLJEBNJYTXHH-UHFFFAOYSA-N 0 0 184.670 2.743 10 0 AFAERN CSc1cc(C)cc(C)c1C=O 140419965 572218037 /nfs/dbraw/zinc/21/80/37/572218037.db2.gz XFRBRGSUJZUPQT-UHFFFAOYSA-N 0 0 180.272 2.838 10 0 AFAERN CCCC[C@@H](C)[C@@H](CCC1CC1)NN 300982164 572218244 /nfs/dbraw/zinc/21/82/44/572218244.db2.gz UNAFJPMLQSGONJ-ZYHUDNBSSA-N 0 0 198.354 2.835 10 0 AFAERN CC[C@@H](C)Nc1ccc(F)cc1N 20381533 572218529 /nfs/dbraw/zinc/21/85/29/572218529.db2.gz RQKLGLOWWKCISG-SSDOTTSWSA-N 0 0 182.242 2.618 10 0 AFAERN COC(C)(C)[C@@](C)(O)CCC(C)C 300982066 572218873 /nfs/dbraw/zinc/21/88/73/572218873.db2.gz KPFZOPGRDMBOOX-NSHDSACASA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](C)Sc1ccncc1N 20370960 572218900 /nfs/dbraw/zinc/21/89/00/572218900.db2.gz LVEPPRKQMNOAQR-ZETCQYMHSA-N 0 0 182.292 2.554 10 0 AFAERN CC/C=C\[C@@H](O)c1ccccc1 113115325 572218965 /nfs/dbraw/zinc/21/89/65/572218965.db2.gz JQAUORVLLIMIJX-IMAIQDNJSA-N 0 0 162.232 2.686 10 0 AFAERN COC(C)(C)[C@](C)(O)CCC(C)C 300982064 572218994 /nfs/dbraw/zinc/21/89/94/572218994.db2.gz KPFZOPGRDMBOOX-LLVKDONJSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H]1CC[C@H](c2nc(O)c(C)[nH]2)C1 234102562 572219018 /nfs/dbraw/zinc/21/90/18/572219018.db2.gz JWEGKGJCQIRWQE-IUCAKERBSA-N 0 0 194.278 2.717 10 0 AFAERN CCOC(=O)/C(C)=C(\C)C1CCC1 393362977 572219087 /nfs/dbraw/zinc/21/90/87/572219087.db2.gz IJGLGHWVVPZCTD-CMDGGOBGSA-N 0 0 182.263 2.686 10 0 AFAERN CC/C=C\[C@H](O)c1ccccc1 113115328 572219092 /nfs/dbraw/zinc/21/90/92/572219092.db2.gz JQAUORVLLIMIJX-QSADENFPSA-N 0 0 162.232 2.686 10 0 AFAERN CCCCNc1ccc(F)cc1N 20382630 572219218 /nfs/dbraw/zinc/21/92/18/572219218.db2.gz QFFGNUZMCWPAJJ-UHFFFAOYSA-N 0 0 182.242 2.620 10 0 AFAERN CCc1cccc2c1OCCCC2=O 36669185 572219242 /nfs/dbraw/zinc/21/92/42/572219242.db2.gz MAZRRHBXQZASCI-UHFFFAOYSA-N 0 0 190.242 2.604 10 0 AFAERN CCOC(=O)/C(C)=C(/C)C1CCC1 393362978 572219647 /nfs/dbraw/zinc/21/96/47/572219647.db2.gz IJGLGHWVVPZCTD-HJWRWDBZSA-N 0 0 182.263 2.686 10 0 AFAERN CCN[C@H](c1ccco1)C(C)(F)F 393362855 572219682 /nfs/dbraw/zinc/21/96/82/572219682.db2.gz XUVFHYMNQKARSV-MRVPVSSYSA-N 0 0 189.205 2.585 10 0 AFAERN CCN[C@@H](c1ccco1)C(C)(F)F 393362858 572219688 /nfs/dbraw/zinc/21/96/88/572219688.db2.gz XUVFHYMNQKARSV-QMMMGPOBSA-N 0 0 189.205 2.585 10 0 AFAERN CCCC[C@H](C)[C@@H](CCC1CC1)NN 300982159 572219738 /nfs/dbraw/zinc/21/97/38/572219738.db2.gz UNAFJPMLQSGONJ-CMPLNLGQSA-N 0 0 198.354 2.835 10 0 AFAERN CCc1ccc([C@H]2C[C@@H]2C(C)=O)cc1 20392047 572219946 /nfs/dbraw/zinc/21/99/46/572219946.db2.gz PPEQJLFPCXOXSE-CHWSQXEVSA-N 0 0 188.270 2.942 10 0 AFAERN CC[C@H](C)Nc1ccc(F)cc1N 20381534 572220119 /nfs/dbraw/zinc/22/01/19/572220119.db2.gz RQKLGLOWWKCISG-ZETCQYMHSA-N 0 0 182.242 2.618 10 0 AFAERN CCC(=O)CCc1csc(C)c1 83453396 572220300 /nfs/dbraw/zinc/22/03/00/572220300.db2.gz SYZDRVSHSJWTDK-UHFFFAOYSA-N 0 0 182.288 2.968 10 0 AFAERN CC[C@@H](C)Sc1ccncc1N 20370957 572220489 /nfs/dbraw/zinc/22/04/89/572220489.db2.gz LVEPPRKQMNOAQR-SSDOTTSWSA-N 0 0 182.292 2.554 10 0 AFAERN COCCCC(=O)c1csc(C)c1 83450277 572220530 /nfs/dbraw/zinc/22/05/30/572220530.db2.gz BRZDHKOREIARCB-UHFFFAOYSA-N 0 0 198.287 2.666 10 0 AFAERN CCC[C@H](O)C[C@@H]1CCC(F)(F)C1 300984849 572220603 /nfs/dbraw/zinc/22/06/03/572220603.db2.gz SNBUKEHUWPADGI-IUCAKERBSA-N 0 0 192.249 2.973 10 0 AFAERN Cc1cc(CC[C@@H](O)C2CC2)cs1 83454112 572220636 /nfs/dbraw/zinc/22/06/36/572220636.db2.gz QRLFOHACURTDSK-LLVKDONJSA-N 0 0 196.315 2.760 10 0 AFAERN CCCCCNc1cccc(N)c1 36720323 572220811 /nfs/dbraw/zinc/22/08/11/572220811.db2.gz YMYATPVZLJGWGH-UHFFFAOYSA-N 0 0 178.279 2.871 10 0 AFAERN CCO[C@H](C)C(=O)c1csc(C)c1 83450241 572220866 /nfs/dbraw/zinc/22/08/66/572220866.db2.gz LGRXZLKKSZOMPW-MRVPVSSYSA-N 0 0 198.287 2.664 10 0 AFAERN CC[C@H](C)Nc1ccc(N)cc1F 20474830 572220877 /nfs/dbraw/zinc/22/08/77/572220877.db2.gz CVDNLZDRCGGTHQ-ZETCQYMHSA-N 0 0 182.242 2.618 10 0 AFAERN Cc1cccc(Cc2cccnc2N)c1 70318454 572220985 /nfs/dbraw/zinc/22/09/85/572220985.db2.gz FACUOQJLOKZHRW-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN COC(=O)[C@H](c1ccsc1)C(C)C 83447090 572221130 /nfs/dbraw/zinc/22/11/30/572221130.db2.gz YWTFXWDYIVYCEX-VIFPVBQESA-N 0 0 198.287 2.661 10 0 AFAERN CCc1cccc(-c2cncc(N)c2)c1 300984802 572221139 /nfs/dbraw/zinc/22/11/39/572221139.db2.gz SMVXMAWWDFMMBS-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CCc1ccc(C(=O)OC(C)C)s1 70286896 572221155 /nfs/dbraw/zinc/22/11/55/572221155.db2.gz DCQKPRCPGDWNKO-UHFFFAOYSA-N 0 0 198.287 2.876 10 0 AFAERN N[C@H](c1ccc(Cl)s1)C(F)F 20475404 572221238 /nfs/dbraw/zinc/22/12/38/572221238.db2.gz GDFHNAKWAZMSPG-RXMQYKEDSA-N 0 0 197.637 2.666 10 0 AFAERN CCCOCC(=O)c1csc(C)c1 83450084 572221282 /nfs/dbraw/zinc/22/12/82/572221282.db2.gz CELQDGFMRVMYPO-UHFFFAOYSA-N 0 0 198.287 2.666 10 0 AFAERN CC[C@H](O)CCc1csc(C)c1 83454103 572221291 /nfs/dbraw/zinc/22/12/91/572221291.db2.gz VMDNIZMRVDWBMS-JTQLQIEISA-N 0 0 184.304 2.760 10 0 AFAERN Cc1cc(CCC(=O)C2CC2)cs1 83453403 572221309 /nfs/dbraw/zinc/22/13/09/572221309.db2.gz RPWAAFJFKKSQPY-UHFFFAOYSA-N 0 0 194.299 2.968 10 0 AFAERN CCC[C@@H](O)C[C@@H]1CCC(F)(F)C1 300984845 572222752 /nfs/dbraw/zinc/22/27/52/572222752.db2.gz SNBUKEHUWPADGI-DTWKUNHWSA-N 0 0 192.249 2.973 10 0 AFAERN Cc1cc(CC[C@H](O)C2CC2)cs1 83454111 572221587 /nfs/dbraw/zinc/22/15/87/572221587.db2.gz QRLFOHACURTDSK-NSHDSACASA-N 0 0 196.315 2.760 10 0 AFAERN O=Cc1ccc2ccn(CC3CC3)c2c1 20457284 572223030 /nfs/dbraw/zinc/22/30/30/572223030.db2.gz AHKIJYVSDURYRD-UHFFFAOYSA-N 0 0 199.253 2.864 10 0 AFAERN CCCC[C@H](C)[C@]1(O)C[C@@H]1CC 300982743 572221600 /nfs/dbraw/zinc/22/16/00/572221600.db2.gz UOGNJLPPSHPEOC-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)OC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 70286882 572221736 /nfs/dbraw/zinc/22/17/36/572221736.db2.gz BKYOKQKKGMTIAS-HBNTYKKESA-N 0 0 196.290 2.764 10 0 AFAERN Cc1cc(C)c([C@@H](N)C(F)F)c(C)c1 20475332 572221884 /nfs/dbraw/zinc/22/18/84/572221884.db2.gz WCDQHRQEIHAUFB-SNVBAGLBSA-N 0 0 199.244 2.877 10 0 AFAERN CC(C)CCNc1cccc(N)c1 36720326 572221819 /nfs/dbraw/zinc/22/18/19/572221819.db2.gz LIIZAQIRSKAZKX-UHFFFAOYSA-N 0 0 178.279 2.727 10 0 AFAERN CCCc1nc(COCC)cs1 393364836 572221841 /nfs/dbraw/zinc/22/18/41/572221841.db2.gz BQYZIZFNNHTUKN-UHFFFAOYSA-N 0 0 185.292 2.632 10 0 AFAERN CCCC[C@H](C)[C@@]1(O)C[C@@H]1CC 300982742 572221853 /nfs/dbraw/zinc/22/18/53/572221853.db2.gz UOGNJLPPSHPEOC-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1cc(Cl)nc(CC(C)C)n1 36755683 572221869 /nfs/dbraw/zinc/22/18/69/572221869.db2.gz IOLQDCHKZJDVCA-UHFFFAOYSA-N 0 0 198.697 2.891 10 0 AFAERN CCC[C@@H](O)C[C@H]1CCC(F)(F)C1 300984851 572221882 /nfs/dbraw/zinc/22/18/82/572221882.db2.gz SNBUKEHUWPADGI-RKDXNWHRSA-N 0 0 192.249 2.973 10 0 AFAERN Cc1ccc([C@H](N)C(F)F)c(C)c1 20475391 572221899 /nfs/dbraw/zinc/22/18/99/572221899.db2.gz OEVKZEKZQDYXGJ-VIFPVBQESA-N 0 0 185.217 2.568 10 0 AFAERN CCO[C@@H](C)C(=O)c1csc(C)c1 83450238 572221904 /nfs/dbraw/zinc/22/19/04/572221904.db2.gz LGRXZLKKSZOMPW-QMMMGPOBSA-N 0 0 198.287 2.664 10 0 AFAERN CC[C@@H](O)CCc1csc(C)c1 83454104 572221919 /nfs/dbraw/zinc/22/19/19/572221919.db2.gz VMDNIZMRVDWBMS-SNVBAGLBSA-N 0 0 184.304 2.760 10 0 AFAERN CCCC[C@H](C)[C@]1(O)C[C@H]1CC 300982744 572222200 /nfs/dbraw/zinc/22/22/00/572222200.db2.gz UOGNJLPPSHPEOC-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN COC(=O)[C@@H](c1ccsc1)C(C)C 83447091 572222217 /nfs/dbraw/zinc/22/22/17/572222217.db2.gz YWTFXWDYIVYCEX-SECBINFHSA-N 0 0 198.287 2.661 10 0 AFAERN CCc1ccc([C@H](N)C(F)F)cc1 20475331 572222247 /nfs/dbraw/zinc/22/22/47/572222247.db2.gz MSISKBJYSPULAL-VIFPVBQESA-N 0 0 185.217 2.514 10 0 AFAERN CC(C)CCNc1ccc(N)cc1F 20474853 572222269 /nfs/dbraw/zinc/22/22/69/572222269.db2.gz WXUBQZYCQZSOIP-UHFFFAOYSA-N 0 0 196.269 2.866 10 0 AFAERN CC[C@@H](C(=O)OC)c1csc(C)c1 83447108 572222319 /nfs/dbraw/zinc/22/23/19/572222319.db2.gz WCXSPBLYCYGIMB-SECBINFHSA-N 0 0 198.287 2.723 10 0 AFAERN Cc1ccc(C)c([C@H](N)C(F)F)c1 20475393 572222346 /nfs/dbraw/zinc/22/23/46/572222346.db2.gz RCXJZNKJAHCRSN-VIFPVBQESA-N 0 0 185.217 2.568 10 0 AFAERN OCc1ccccc1C1CC=CS1 725712039 572222437 /nfs/dbraw/zinc/22/24/37/572222437.db2.gz PWLUAZZDRVIACX-UHFFFAOYSA-N 0 0 191.275 2.710 10 0 AFAERN CCSC[C@H](O)C1CCCCC1 83484693 572223825 /nfs/dbraw/zinc/22/38/25/572223825.db2.gz UVJRZUKIPPFUNV-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CCOC(=O)C(C)(C)c1ccsc1 83447088 572222485 /nfs/dbraw/zinc/22/24/85/572222485.db2.gz NVRNULYOKURGSB-UHFFFAOYSA-N 0 0 198.287 2.589 10 0 AFAERN Cc1ccc([C@@H](N)C(F)F)c(C)c1 20475390 572222513 /nfs/dbraw/zinc/22/25/13/572222513.db2.gz OEVKZEKZQDYXGJ-SECBINFHSA-N 0 0 185.217 2.568 10 0 AFAERN CCC(C)(C)C(=O)OCC(F)(F)F 113140314 572222552 /nfs/dbraw/zinc/22/25/52/572222552.db2.gz JMQPXNJZGWETFB-UHFFFAOYSA-N 0 0 198.184 2.528 10 0 AFAERN CC[C@H](C(=O)OC)c1csc(C)c1 83447107 572222567 /nfs/dbraw/zinc/22/25/67/572222567.db2.gz WCXSPBLYCYGIMB-VIFPVBQESA-N 0 0 198.287 2.723 10 0 AFAERN CC(=O)CCOc1cccc(C)c1C 20439958 572222580 /nfs/dbraw/zinc/22/25/80/572222580.db2.gz HNBWSMUGXNEMBX-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN CCc1ccc([C@@H](N)C(F)F)cc1 20475330 572222721 /nfs/dbraw/zinc/22/27/21/572222721.db2.gz MSISKBJYSPULAL-SECBINFHSA-N 0 0 185.217 2.514 10 0 AFAERN CCCC[C@@H](CC)n1ccc(N)n1 67799119 572223837 /nfs/dbraw/zinc/22/38/37/572223837.db2.gz SQZJGNKBUCRFEH-SECBINFHSA-N 0 0 181.283 2.607 10 0 AFAERN CCC[C@H](O)C[C@H]1CCC(F)(F)C1 300984842 572222760 /nfs/dbraw/zinc/22/27/60/572222760.db2.gz SNBUKEHUWPADGI-BDAKNGLRSA-N 0 0 192.249 2.973 10 0 AFAERN CC1(C)C=Cc2sc(C=O)cc2O1 20446330 572222864 /nfs/dbraw/zinc/22/28/64/572222864.db2.gz FMTSVWMRLGLEPW-UHFFFAOYSA-N 0 0 194.255 2.745 10 0 AFAERN CCCCNc1ccc(N)cc1F 20474849 572222946 /nfs/dbraw/zinc/22/29/46/572222946.db2.gz QWCRNNRGFNHEOW-UHFFFAOYSA-N 0 0 182.242 2.620 10 0 AFAERN Cc1cc(C)c([C@H](N)C(F)F)c(C)c1 20475333 572222954 /nfs/dbraw/zinc/22/29/54/572222954.db2.gz WCDQHRQEIHAUFB-JTQLQIEISA-N 0 0 199.244 2.877 10 0 AFAERN CC(C)OC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 70286881 572222962 /nfs/dbraw/zinc/22/29/62/572222962.db2.gz BKYOKQKKGMTIAS-AXFHLTTASA-N 0 0 196.290 2.764 10 0 AFAERN CCSC[C@@H](O)c1cccc(C)c1 83484738 572222984 /nfs/dbraw/zinc/22/29/84/572222984.db2.gz OUCHYQBUBOIGBK-LLVKDONJSA-N 0 0 196.315 2.782 10 0 AFAERN CCC[C@H](C)C[C@H](O)CSCC 83484748 572222995 /nfs/dbraw/zinc/22/29/95/572222995.db2.gz YUORZJYJPOZTLH-UWVGGRQHSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1ccc(C)c([C@@H](N)C(F)F)c1 20475392 572222998 /nfs/dbraw/zinc/22/29/98/572222998.db2.gz RCXJZNKJAHCRSN-SECBINFHSA-N 0 0 185.217 2.568 10 0 AFAERN O=Cc1ccc(OC2CCCCC2)o1 20441781 572223010 /nfs/dbraw/zinc/22/30/10/572223010.db2.gz WPBAYSDFRRBTDY-UHFFFAOYSA-N 0 0 194.230 2.804 10 0 AFAERN N[C@@H](c1ccc(Cl)s1)C(F)F 20475405 572223081 /nfs/dbraw/zinc/22/30/81/572223081.db2.gz GDFHNAKWAZMSPG-YFKPBYRVSA-N 0 0 197.637 2.666 10 0 AFAERN C[C@H](C1CC1)N(C)c1ccccc1N 36783272 572223095 /nfs/dbraw/zinc/22/30/95/572223095.db2.gz QFFBWVSEQOTRIF-SECBINFHSA-N 0 0 190.290 2.504 10 0 AFAERN CCSC[C@@H](O)C1CCCCC1 83484694 572223107 /nfs/dbraw/zinc/22/31/07/572223107.db2.gz UVJRZUKIPPFUNV-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CCSCC(=O)CCC(C)C 83484537 572223252 /nfs/dbraw/zinc/22/32/52/572223252.db2.gz UHHUPQJJVNSITE-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CC[C@@H](C)Nc1ccc(N)cc1F 20474829 572223288 /nfs/dbraw/zinc/22/32/88/572223288.db2.gz CVDNLZDRCGGTHQ-SSDOTTSWSA-N 0 0 182.242 2.618 10 0 AFAERN CC(C)C[C@H](C)Cn1cccc1CO 300988763 572223859 /nfs/dbraw/zinc/22/38/59/572223859.db2.gz VESWDOWHGUNCBI-NSHDSACASA-N 0 0 195.306 2.663 10 0 AFAERN CCSC[C@@H](O)c1ccc(C)cc1 83484700 572223867 /nfs/dbraw/zinc/22/38/67/572223867.db2.gz CUAOROOFVHQEQL-LLVKDONJSA-N 0 0 196.315 2.782 10 0 AFAERN CCCC[C@@H](CC)n1cc(N)cn1 67799371 572223532 /nfs/dbraw/zinc/22/35/32/572223532.db2.gz LEOIAZQXLSLFSE-SNVBAGLBSA-N 0 0 181.283 2.607 10 0 AFAERN CCSCC(=O)C[C@H](C)CC 83484616 572223536 /nfs/dbraw/zinc/22/35/36/572223536.db2.gz NFZMSKDFCBTEAC-MRVPVSSYSA-N 0 0 174.309 2.745 10 0 AFAERN CCSC[C@@H](O)CCC(C)(C)C 83484768 572223806 /nfs/dbraw/zinc/22/38/06/572223806.db2.gz DYLXRRWRMKNWFQ-VIFPVBQESA-N 0 0 190.352 2.927 10 0 AFAERN OCC1=CC/C(=C2\C=CCS2)S1 725712086 572224367 /nfs/dbraw/zinc/22/43/67/572224367.db2.gz UBJMFYRFFNSOTC-HJWRWDBZSA-N 0 0 198.312 2.514 10 0 AFAERN CCCC[C@@H](C)n1nc(N)cc1C 67799215 572223956 /nfs/dbraw/zinc/22/39/56/572223956.db2.gz WUORAAMCVNMNHU-MRVPVSSYSA-N 0 0 181.283 2.525 10 0 AFAERN CCSC[C@H](O)c1cccc(C)c1 83484737 572223976 /nfs/dbraw/zinc/22/39/76/572223976.db2.gz OUCHYQBUBOIGBK-NSHDSACASA-N 0 0 196.315 2.782 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)CSCC 83484749 572224099 /nfs/dbraw/zinc/22/40/99/572224099.db2.gz YUORZJYJPOZTLH-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1ccc(N[C@@H](C)C(C)C)nc1 20523551 572224209 /nfs/dbraw/zinc/22/42/09/572224209.db2.gz UUILYWJBEPXFHS-JTQLQIEISA-N 0 0 178.279 2.846 10 0 AFAERN CC(C)[C@@H](C)Nc1ccc(N)cc1F 20522473 572224235 /nfs/dbraw/zinc/22/42/35/572224235.db2.gz IOSJSKXUFMRRIC-MRVPVSSYSA-N 0 0 196.269 2.864 10 0 AFAERN CCSCC(=O)C[C@@H](C)CC 83484617 572224243 /nfs/dbraw/zinc/22/42/43/572224243.db2.gz NFZMSKDFCBTEAC-QMMMGPOBSA-N 0 0 174.309 2.745 10 0 AFAERN CCSC[C@H](O)c1ccc(C)cc1 83484699 572224271 /nfs/dbraw/zinc/22/42/71/572224271.db2.gz CUAOROOFVHQEQL-NSHDSACASA-N 0 0 196.315 2.782 10 0 AFAERN CCSC[C@H](O)CCC(C)(C)C 83484767 572224280 /nfs/dbraw/zinc/22/42/80/572224280.db2.gz DYLXRRWRMKNWFQ-SECBINFHSA-N 0 0 190.352 2.927 10 0 AFAERN CCC[C@@H](C)C[C@H](O)CSCC 83484747 572224406 /nfs/dbraw/zinc/22/44/06/572224406.db2.gz YUORZJYJPOZTLH-ZJUUUORDSA-N 0 0 190.352 2.927 10 0 AFAERN C[C@H]1CCCC[C@H]1n1cn[nH]c1=S 20583585 572224416 /nfs/dbraw/zinc/22/44/16/572224416.db2.gz BQFCQXRDLRBAKS-JGVFFNPUSA-N 0 0 197.307 2.692 10 0 AFAERN CCCC[C@H](C)[C@H](O)CC1CC1 300985255 572224447 /nfs/dbraw/zinc/22/44/47/572224447.db2.gz UYCAFFDFKKTDPL-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@H](C)Nc1ccc(N)cc1F 20522475 572224504 /nfs/dbraw/zinc/22/45/04/572224504.db2.gz IOSJSKXUFMRRIC-QMMMGPOBSA-N 0 0 196.269 2.864 10 0 AFAERN CCSC[C@H](O)CC1CCCC1 83484669 572224580 /nfs/dbraw/zinc/22/45/80/572224580.db2.gz GALLMVQRWRLWAI-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CCSC[C@@H](O)CCC(C)C 83484756 572224587 /nfs/dbraw/zinc/22/45/87/572224587.db2.gz PNZFXEVBCZSODR-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)[C@@H](C)Nc1nccs1 20523564 572224631 /nfs/dbraw/zinc/22/46/31/572224631.db2.gz VNFBMSWTIFMHQT-SSDOTTSWSA-N 0 0 170.281 2.600 10 0 AFAERN CCCCCC(=O)CSCC 83484564 572224633 /nfs/dbraw/zinc/22/46/33/572224633.db2.gz WBWFZMDYWMCFOA-UHFFFAOYSA-N 0 0 174.309 2.889 10 0 AFAERN CCC[C@H](C)C[C@@H](O)CSCC 83484750 572224751 /nfs/dbraw/zinc/22/47/51/572224751.db2.gz YUORZJYJPOZTLH-VHSXEESVSA-N 0 0 190.352 2.927 10 0 AFAERN CCSCC(=O)C1CCCCC1 83484571 572224853 /nfs/dbraw/zinc/22/48/53/572224853.db2.gz YAPHZGJYCZIULJ-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CC(C)[C@@H](C)n1cc[nH]c1=S 20581331 572225082 /nfs/dbraw/zinc/22/50/82/572225082.db2.gz IEXHRQPEELEWDO-SSDOTTSWSA-N 0 0 170.281 2.763 10 0 AFAERN CCCC(CCC)n1cc(N)cn1 67799643 572225096 /nfs/dbraw/zinc/22/50/96/572225096.db2.gz ITFILVWYTXRRGU-UHFFFAOYSA-N 0 0 181.283 2.607 10 0 AFAERN CCSC[C@H](O)CCC(C)C 83484755 572225116 /nfs/dbraw/zinc/22/51/16/572225116.db2.gz PNZFXEVBCZSODR-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN C[C@@H]1CCCC[C@@H]1n1cn[nH]c1=S 20583576 572225181 /nfs/dbraw/zinc/22/51/81/572225181.db2.gz BQFCQXRDLRBAKS-SFYZADRCSA-N 0 0 197.307 2.692 10 0 AFAERN CCSCC(=O)CC1CCCC1 83484640 572225193 /nfs/dbraw/zinc/22/51/93/572225193.db2.gz LZWZCBLOZVPHET-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CC1CCC(n2cn[nH]c2=S)CC1 20583601 572226535 /nfs/dbraw/zinc/22/65/35/572226535.db2.gz UJQFNRUSNPZGIY-UHFFFAOYSA-N 0 0 197.307 2.692 10 0 AFAERN CCCC[C@@H](C)[C@H](O)CC1CC1 300985258 572225402 /nfs/dbraw/zinc/22/54/02/572225402.db2.gz UYCAFFDFKKTDPL-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)C(=O)O[C@H](C)C(F)(F)F 113141547 572225405 /nfs/dbraw/zinc/22/54/05/572225405.db2.gz VRCAXGUZLBECMN-NTSWFWBYSA-N 0 0 198.184 2.527 10 0 AFAERN CCCC[C@H](C)[C@@H](O)CC1CC1 300985260 572225418 /nfs/dbraw/zinc/22/54/18/572225418.db2.gz UYCAFFDFKKTDPL-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@@H](C)Cn1cccc1CO 300988762 572225476 /nfs/dbraw/zinc/22/54/76/572225476.db2.gz VESWDOWHGUNCBI-LLVKDONJSA-N 0 0 195.306 2.663 10 0 AFAERN CCCCC(=O)CSC(C)C 83488505 572225500 /nfs/dbraw/zinc/22/55/00/572225500.db2.gz MYEVFNZQNVFWIC-UHFFFAOYSA-N 0 0 174.309 2.887 10 0 AFAERN CCSC[C@@H](O)C[C@@H](C)CC 83484806 572225575 /nfs/dbraw/zinc/22/55/75/572225575.db2.gz TXGDPGJMCHPCGK-IUCAKERBSA-N 0 0 176.325 2.537 10 0 AFAERN CCCSCC(=O)C1CCCC1 83486767 572225631 /nfs/dbraw/zinc/22/56/31/572225631.db2.gz HJEPPJZFQXHARU-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CCCSC[C@H](O)C(C)(C)C 83487061 572225710 /nfs/dbraw/zinc/22/57/10/572225710.db2.gz GSYLAPRUXPRNNZ-QMMMGPOBSA-N 0 0 176.325 2.537 10 0 AFAERN OCC1=CC/C(=C2/C=CCS2)S1 725712085 572225772 /nfs/dbraw/zinc/22/57/72/572225772.db2.gz UBJMFYRFFNSOTC-CMDGGOBGSA-N 0 0 198.312 2.514 10 0 AFAERN CCCSC[C@@H](O)CCC(C)C 83486908 572225773 /nfs/dbraw/zinc/22/57/73/572225773.db2.gz XZNDLBOXRKCCNU-JTQLQIEISA-N 0 0 190.352 2.927 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)CC1CC1 300985256 572225801 /nfs/dbraw/zinc/22/58/01/572225801.db2.gz UYCAFFDFKKTDPL-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)n1c(C2CC2)n[nH]c1=S 20590042 572227938 /nfs/dbraw/zinc/22/79/38/572227938.db2.gz HTTDZQDXFAJJEA-ZCFIWIBFSA-N 0 0 197.307 2.789 10 0 AFAERN CCCSC[C@@H](O)C[C@H](C)CC 83486956 572225928 /nfs/dbraw/zinc/22/59/28/572225928.db2.gz BNFCGFNVAMRKBF-ZJUUUORDSA-N 0 0 190.352 2.927 10 0 AFAERN CC(C)(C)SC[C@@H](O)CC1CC1 83490422 572227939 /nfs/dbraw/zinc/22/79/39/572227939.db2.gz XRVNKNMVRMKMEI-VIFPVBQESA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)CC(=O)CSC(C)C 83488444 572226024 /nfs/dbraw/zinc/22/60/24/572226024.db2.gz XPCLPDAIABQAFV-UHFFFAOYSA-N 0 0 174.309 2.743 10 0 AFAERN CCCSC[C@H](O)C[C@H](C)CC 83486955 572226037 /nfs/dbraw/zinc/22/60/37/572226037.db2.gz BNFCGFNVAMRKBF-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN CCC(C)(C)Oc1ccc(F)cc1N 20507051 572226059 /nfs/dbraw/zinc/22/60/59/572226059.db2.gz MEYYPICDDXXRHZ-UHFFFAOYSA-N 0 0 197.253 2.975 10 0 AFAERN CCCCC(=O)CSCCC 83486751 572226068 /nfs/dbraw/zinc/22/60/68/572226068.db2.gz SICSERJQXJTWQA-UHFFFAOYSA-N 0 0 174.309 2.889 10 0 AFAERN CCCC[C@H](CC)n1cc(N)cn1 67799373 572226098 /nfs/dbraw/zinc/22/60/98/572226098.db2.gz LEOIAZQXLSLFSE-JTQLQIEISA-N 0 0 181.283 2.607 10 0 AFAERN CC(C)[C@H](C)Nc1nccs1 20523565 572226123 /nfs/dbraw/zinc/22/61/23/572226123.db2.gz VNFBMSWTIFMHQT-ZETCQYMHSA-N 0 0 170.281 2.600 10 0 AFAERN CCCSC[C@H](O)CCC(C)C 83486907 572226151 /nfs/dbraw/zinc/22/61/51/572226151.db2.gz XZNDLBOXRKCCNU-SNVBAGLBSA-N 0 0 190.352 2.927 10 0 AFAERN CCCSC[C@@H](O)C1CCCC1 83487100 572226210 /nfs/dbraw/zinc/22/62/10/572226210.db2.gz DGUORXOBVUXANM-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CCC(C)(C)Oc1ccc(N)cc1F 20507046 572226211 /nfs/dbraw/zinc/22/62/11/572226211.db2.gz ZLBDRIZQXDHATJ-UHFFFAOYSA-N 0 0 197.253 2.975 10 0 AFAERN CC(C)SCC(=O)c1ccoc1 83488456 572226234 /nfs/dbraw/zinc/22/62/34/572226234.db2.gz FDJWPYYTZVTFHA-UHFFFAOYSA-N 0 0 184.260 2.604 10 0 AFAERN Cc1ccc(N[C@H](C)C(C)C)nc1 20523550 572226235 /nfs/dbraw/zinc/22/62/35/572226235.db2.gz UUILYWJBEPXFHS-SNVBAGLBSA-N 0 0 178.279 2.846 10 0 AFAERN CCCSC[C@@H](O)C(C)(C)C 83487062 572226240 /nfs/dbraw/zinc/22/62/40/572226240.db2.gz GSYLAPRUXPRNNZ-MRVPVSSYSA-N 0 0 176.325 2.537 10 0 AFAERN CCCCNc1ccc(C)cn1 20564635 572226261 /nfs/dbraw/zinc/22/62/61/572226261.db2.gz AXIQBCPOTNAYQH-UHFFFAOYSA-N 0 0 164.252 2.602 10 0 AFAERN CC(C)[C@H](C)n1cc[nH]c1=S 20581334 572226286 /nfs/dbraw/zinc/22/62/86/572226286.db2.gz IEXHRQPEELEWDO-ZETCQYMHSA-N 0 0 170.281 2.763 10 0 AFAERN CC[C@@H](C)C(=O)O[C@@H](C)C(F)(F)F 113141542 572226394 /nfs/dbraw/zinc/22/63/94/572226394.db2.gz VRCAXGUZLBECMN-RITPCOANSA-N 0 0 198.184 2.527 10 0 AFAERN CCCSCC(=O)c1ccoc1 83486702 572226424 /nfs/dbraw/zinc/22/64/24/572226424.db2.gz YTTSOUFEWUNDPS-UHFFFAOYSA-N 0 0 184.260 2.606 10 0 AFAERN CCSC[C@H](O)C[C@H](C)CC 83484807 572226570 /nfs/dbraw/zinc/22/65/70/572226570.db2.gz TXGDPGJMCHPCGK-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN Oc1ccc(OC/C=C/Cl)cc1 36896764 572226572 /nfs/dbraw/zinc/22/65/72/572226572.db2.gz ZTRLQSZQGVGWAP-LZCJLJQNSA-N 0 0 184.622 2.524 10 0 AFAERN CCCSC[C@H](O)C1CCCC1 83487099 572226575 /nfs/dbraw/zinc/22/65/75/572226575.db2.gz DGUORXOBVUXANM-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CCC(CC)C(=O)CC[C@@H]1CCOC1 401049664 572226582 /nfs/dbraw/zinc/22/65/82/572226582.db2.gz KMVCSGZMHCZMTN-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1c(O)cccc1OC/C=C/Cl 36896651 572226623 /nfs/dbraw/zinc/22/66/23/572226623.db2.gz SCLFRUUZHGCLFD-ZZXKWVIFSA-N 0 0 198.649 2.832 10 0 AFAERN CCCSCC(=O)CC(C)C 83486690 572226643 /nfs/dbraw/zinc/22/66/43/572226643.db2.gz QCHAJYNIWDNMKG-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CCSC[C@@H](O)C[C@H](C)CC 83484805 572226678 /nfs/dbraw/zinc/22/66/78/572226678.db2.gz TXGDPGJMCHPCGK-BDAKNGLRSA-N 0 0 176.325 2.537 10 0 AFAERN CCCC[C@@H](O)CSCCC 83487000 572226747 /nfs/dbraw/zinc/22/67/47/572226747.db2.gz PEHSPHIZOABTMF-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN CC(C)=CCOc1cccc(O)c1 36896984 572226760 /nfs/dbraw/zinc/22/67/60/572226760.db2.gz JOFFWZSNPVXXLO-UHFFFAOYSA-N 0 0 178.231 2.737 10 0 AFAERN CCCSC[C@@H](O)C[C@@H](C)CC 83486954 572226767 /nfs/dbraw/zinc/22/67/67/572226767.db2.gz BNFCGFNVAMRKBF-UWVGGRQHSA-N 0 0 190.352 2.927 10 0 AFAERN CC[C@H](C)C(=O)O[C@@H](C)C(F)(F)F 113141544 572226820 /nfs/dbraw/zinc/22/68/20/572226820.db2.gz VRCAXGUZLBECMN-WDSKDSINSA-N 0 0 198.184 2.527 10 0 AFAERN CNc1cccc(N2CCCCC2)c1 113149650 572226825 /nfs/dbraw/zinc/22/68/25/572226825.db2.gz PHUOJLDGVHFTDX-UHFFFAOYSA-N 0 0 190.290 2.719 10 0 AFAERN CC(C)C[C@@H](C)C[C@]1(C)CCC(=O)N1 300989975 572226862 /nfs/dbraw/zinc/22/68/62/572226862.db2.gz VKZCKYGOVHIMSW-PWSUYJOCSA-N 0 0 197.322 2.727 10 0 AFAERN CCSC[C@H](O)c1ccccc1C 83484847 572226889 /nfs/dbraw/zinc/22/68/89/572226889.db2.gz BZLJFNSWTPELSH-NSHDSACASA-N 0 0 196.315 2.782 10 0 AFAERN CCSC[C@H](O)C[C@@H](C)CC 83484808 572226899 /nfs/dbraw/zinc/22/68/99/572226899.db2.gz TXGDPGJMCHPCGK-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN CCNc1ccccc1N(CC)CC 113135579 572226968 /nfs/dbraw/zinc/22/69/68/572226968.db2.gz OJIXCCUMNATMLC-UHFFFAOYSA-N 0 0 192.306 2.965 10 0 AFAERN CC(C)SCC(=O)C1CCCC1 83488521 572227062 /nfs/dbraw/zinc/22/70/62/572227062.db2.gz HPZOGZNXKCYDHY-UHFFFAOYSA-N 0 0 186.320 2.887 10 0 AFAERN CCSC[C@@H](O)c1ccccc1C 83484848 572227071 /nfs/dbraw/zinc/22/70/71/572227071.db2.gz BZLJFNSWTPELSH-LLVKDONJSA-N 0 0 196.315 2.782 10 0 AFAERN CCC(C)(C)Nc1ccccc1N 20584623 572227133 /nfs/dbraw/zinc/22/71/33/572227133.db2.gz HEHZINDLLNFPBW-UHFFFAOYSA-N 0 0 178.279 2.869 10 0 AFAERN CCCSC[C@@H](O)CC(C)C 83486912 572227163 /nfs/dbraw/zinc/22/71/63/572227163.db2.gz QXEYUUOTPPIKEE-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN CCCSC[C@H](O)C[C@@H](C)CC 83486953 572227186 /nfs/dbraw/zinc/22/71/86/572227186.db2.gz BNFCGFNVAMRKBF-VHSXEESVSA-N 0 0 190.352 2.927 10 0 AFAERN CC(C)C[C@H](C)CNc1cn[nH]c1 300989911 572227236 /nfs/dbraw/zinc/22/72/36/572227236.db2.gz VKKMHJVSFHJFPU-VIFPVBQESA-N 0 0 181.283 2.504 10 0 AFAERN C/C(=C/CCCO)C[C@H]1CCCCO1 212887984 572227444 /nfs/dbraw/zinc/22/74/44/572227444.db2.gz RSJFJAYIEIOJDM-HUMZTAOYSA-N 0 0 198.306 2.664 10 0 AFAERN Oc1ccc(OCc2ccco2)cc1 36896736 572229239 /nfs/dbraw/zinc/22/92/39/572229239.db2.gz LZKYLHGZKDQKRU-UHFFFAOYSA-N 0 0 190.198 2.564 10 0 AFAERN CC(C)(C)SCC(=O)c1ccoc1 83490112 572227545 /nfs/dbraw/zinc/22/75/45/572227545.db2.gz YLPKNKRHTMMVLL-UHFFFAOYSA-N 0 0 198.287 2.994 10 0 AFAERN CC(C)CSCC(=O)c1ccoc1 83491339 572227718 /nfs/dbraw/zinc/22/77/18/572227718.db2.gz ILQITHCVPAYGOP-UHFFFAOYSA-N 0 0 198.287 2.852 10 0 AFAERN CC(C)CSCC(=O)C(C)C 83491323 572227744 /nfs/dbraw/zinc/22/77/44/572227744.db2.gz AQDHYJLMTOWNEB-UHFFFAOYSA-N 0 0 174.309 2.601 10 0 AFAERN CCCC[C@@H](C)C(=O)CCCOC 300991236 572227750 /nfs/dbraw/zinc/22/77/50/572227750.db2.gz VXLLDYXHDYJFGV-SNVBAGLBSA-N 0 0 186.295 2.808 10 0 AFAERN CC(C)CSC[C@@H](O)CC1CC1 83491650 572227757 /nfs/dbraw/zinc/22/77/57/572227757.db2.gz GZJXWRHRFAUQCD-JTQLQIEISA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)C[C@@H](C)CNc1cn[nH]c1 300989907 572229255 /nfs/dbraw/zinc/22/92/55/572229255.db2.gz VKKMHJVSFHJFPU-SECBINFHSA-N 0 0 181.283 2.504 10 0 AFAERN CCCC[C@H](C)C(=O)CCCOC 300991233 572227866 /nfs/dbraw/zinc/22/78/66/572227866.db2.gz VXLLDYXHDYJFGV-JTQLQIEISA-N 0 0 186.295 2.808 10 0 AFAERN CC(C)(C)SC[C@H](O)C(C)(C)C 83490391 572227878 /nfs/dbraw/zinc/22/78/78/572227878.db2.gz XAHVKAXQVLPRIL-QMMMGPOBSA-N 0 0 190.352 2.925 10 0 AFAERN CCC[C@@H](O)CSC(C)(C)C 83490339 572227960 /nfs/dbraw/zinc/22/79/60/572227960.db2.gz JJNFUJFGNXJFSJ-MRVPVSSYSA-N 0 0 176.325 2.679 10 0 AFAERN CC(C)ONCC(C)(C)C(C)C 713235921 572227986 /nfs/dbraw/zinc/22/79/86/572227986.db2.gz NNJNEXBSZQADCM-UHFFFAOYSA-N 0 0 173.300 2.598 10 0 AFAERN CC[C@H](C)C(=O)CC[C@H]1CCCO1 83529116 572230085 /nfs/dbraw/zinc/23/00/85/572230085.db2.gz WHURXDBEUMTBRM-VHSXEESVSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C[C@@H](C)C[C@@]1(C)CCC(=O)N1 300989979 572228014 /nfs/dbraw/zinc/22/80/14/572228014.db2.gz VKZCKYGOVHIMSW-ZYHUDNBSSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CSC[C@H](O)CC(C)C 83491501 572228081 /nfs/dbraw/zinc/22/80/81/572228081.db2.gz XMMXGJVDRFCVLW-SNVBAGLBSA-N 0 0 190.352 2.783 10 0 AFAERN Oc1ccccc1OC/C=C/Cl 36896869 572228127 /nfs/dbraw/zinc/22/81/27/572228127.db2.gz WHOLFBBWXYMEET-ZZXKWVIFSA-N 0 0 184.622 2.524 10 0 AFAERN CC[C@@H](C)Oc1cccc(O)c1 36896978 572228136 /nfs/dbraw/zinc/22/81/36/572228136.db2.gz HNXVJJAJNHHWGM-MRVPVSSYSA-N 0 0 166.220 2.570 10 0 AFAERN C=Cc1nc(CSCC(C)C)no1 83491171 572228235 /nfs/dbraw/zinc/22/82/35/572228235.db2.gz OZRIOLVRFIHLRN-UHFFFAOYSA-N 0 0 198.291 2.602 10 0 AFAERN CCc1n[nH]c(=S)n1[C@H](C)C(C)C 20590698 572228239 /nfs/dbraw/zinc/22/82/39/572228239.db2.gz YWEVBELATOSUQF-SSDOTTSWSA-N 0 0 199.323 2.720 10 0 AFAERN CCC(CC)n1c(C)n[nH]c1=S 20590293 572228349 /nfs/dbraw/zinc/22/83/49/572228349.db2.gz YTAINIUXGMXAHM-UHFFFAOYSA-N 0 0 185.296 2.610 10 0 AFAERN CCc1n[nH]c(=S)n1C(C)(C)CC 20590320 572228361 /nfs/dbraw/zinc/22/83/61/572228361.db2.gz SCXLDWFKKRQAND-UHFFFAOYSA-N 0 0 199.323 2.648 10 0 AFAERN CC[C@H](C)Oc1cccc(O)c1C 36896643 572228370 /nfs/dbraw/zinc/22/83/70/572228370.db2.gz LITBATWVCKFTAC-QMMMGPOBSA-N 0 0 180.247 2.878 10 0 AFAERN CC(C)(C)SC[C@H](O)CC1CC1 83490421 572228389 /nfs/dbraw/zinc/22/83/89/572228389.db2.gz XRVNKNMVRMKMEI-SECBINFHSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)C[C@@H](O)CSC(C)(C)C 83490273 572228399 /nfs/dbraw/zinc/22/83/99/572228399.db2.gz HZJXQKMGASYXOI-SECBINFHSA-N 0 0 190.352 2.925 10 0 AFAERN CCCC[C@@H](O)CSCC(C)C 83491569 572228427 /nfs/dbraw/zinc/22/84/27/572228427.db2.gz DABAKFYLVFLJSJ-SNVBAGLBSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1ccc([C@H](N)C(F)F)cc1C 20587079 572228530 /nfs/dbraw/zinc/22/85/30/572228530.db2.gz BFGDOVOYIQXBLD-VIFPVBQESA-N 0 0 185.217 2.568 10 0 AFAERN CCCC[C@H](O)CSCC(C)C 83491568 572228622 /nfs/dbraw/zinc/22/86/22/572228622.db2.gz DABAKFYLVFLJSJ-JTQLQIEISA-N 0 0 190.352 2.927 10 0 AFAERN CC(C)c1n[nH]c(=S)n1C(C)(C)C 20588629 572228849 /nfs/dbraw/zinc/22/88/49/572228849.db2.gz ILKBJFHKHAEPDP-UHFFFAOYSA-N 0 0 199.323 2.819 10 0 AFAERN CC(C)Cn1c(C(C)C)n[nH]c1=S 20590267 572228884 /nfs/dbraw/zinc/22/88/84/572228884.db2.gz OIDNSQRSMUGNML-UHFFFAOYSA-N 0 0 199.323 2.720 10 0 AFAERN CC(C)(C)SCC(=O)CC1CC1 83490102 572228955 /nfs/dbraw/zinc/22/89/55/572228955.db2.gz UJZZQFVRBWNKJF-UHFFFAOYSA-N 0 0 186.320 2.887 10 0 AFAERN CCc1n[nH]c(=S)n1[C@@H](C)C(C)C 20590695 572228956 /nfs/dbraw/zinc/22/89/56/572228956.db2.gz YWEVBELATOSUQF-ZETCQYMHSA-N 0 0 199.323 2.720 10 0 AFAERN C=Cc1nc(CSC(C)(C)C)no1 83489947 572229001 /nfs/dbraw/zinc/22/90/01/572229001.db2.gz VLTSKTRNFMNWHQ-UHFFFAOYSA-N 0 0 198.291 2.744 10 0 AFAERN CC[C@H](CCC[C@H]1CCCO1)C(C)=O 83527624 572230487 /nfs/dbraw/zinc/23/04/87/572230487.db2.gz LCPRJPPNLBJAQA-NEPJUHHUSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)(C)SC[C@@H](O)C(C)(C)C 83490390 572229037 /nfs/dbraw/zinc/22/90/37/572229037.db2.gz XAHVKAXQVLPRIL-MRVPVSSYSA-N 0 0 190.352 2.925 10 0 AFAERN CC(C)CSC[C@@H](O)CC(C)C 83491500 572229059 /nfs/dbraw/zinc/22/90/59/572229059.db2.gz XMMXGJVDRFCVLW-JTQLQIEISA-N 0 0 190.352 2.783 10 0 AFAERN CCOC(=N)CSC(C)(C)C 83490941 572229069 /nfs/dbraw/zinc/22/90/69/572229069.db2.gz XGIZLGUQQHGRHJ-UHFFFAOYSA-N 0 0 175.297 2.532 10 0 AFAERN CC(C)C[C@H](C)C[C@@]1(C)CCC(=O)N1 300989967 572229108 /nfs/dbraw/zinc/22/91/08/572229108.db2.gz VKZCKYGOVHIMSW-CMPLNLGQSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CSCC(=O)CC(C)C 83491330 572229289 /nfs/dbraw/zinc/22/92/89/572229289.db2.gz HARJQJPWBMARJJ-UHFFFAOYSA-N 0 0 188.336 2.991 10 0 AFAERN CCCCc1ccccc1CO 113652491 572229439 /nfs/dbraw/zinc/22/94/39/572229439.db2.gz BUVFGIOGFDLYLM-UHFFFAOYSA-N 0 0 164.248 2.522 10 0 AFAERN CC[C@@H](C)Oc1cccc(O)c1C 36896642 572229582 /nfs/dbraw/zinc/22/95/82/572229582.db2.gz LITBATWVCKFTAC-MRVPVSSYSA-N 0 0 180.247 2.878 10 0 AFAERN CC[C@H](C)n1c(C2CC2)n[nH]c1=S 20590044 572229587 /nfs/dbraw/zinc/22/95/87/572229587.db2.gz HTTDZQDXFAJJEA-LURJTMIESA-N 0 0 197.307 2.789 10 0 AFAERN CC(C)C[C@H](C)C[C@]1(C)CCC(=O)N1 300989970 572229609 /nfs/dbraw/zinc/22/96/09/572229609.db2.gz VKZCKYGOVHIMSW-JQWIXIFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(=O)CCc1ccsc1 36867144 572229645 /nfs/dbraw/zinc/22/96/45/572229645.db2.gz PQPQURUIWMRIPJ-UHFFFAOYSA-N 0 0 168.261 2.660 10 0 AFAERN CC[C@H]1CC[C@H](C(=O)C(F)F)C1 687797815 572229762 /nfs/dbraw/zinc/22/97/62/572229762.db2.gz IFJOTYZZHJHOQR-BQBZGAKWSA-N 0 0 176.206 2.647 10 0 AFAERN CC[C@H]1CC[C@@H](C(=O)C(F)F)C1 687797816 572229780 /nfs/dbraw/zinc/22/97/80/572229780.db2.gz IFJOTYZZHJHOQR-NKWVEPMBSA-N 0 0 176.206 2.647 10 0 AFAERN CC(C)C[C@H](O)CSC(C)(C)C 83490272 572229812 /nfs/dbraw/zinc/22/98/12/572229812.db2.gz HZJXQKMGASYXOI-VIFPVBQESA-N 0 0 190.352 2.925 10 0 AFAERN Cc1ccc([C@@H](O)CCC2CC2)nc1 235905637 572229847 /nfs/dbraw/zinc/22/98/47/572229847.db2.gz HHYBGQISWIPBHV-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN CC(C)CSC[C@H](O)CC1CC1 83491649 572229886 /nfs/dbraw/zinc/22/98/86/572229886.db2.gz GZJXWRHRFAUQCD-SNVBAGLBSA-N 0 0 188.336 2.537 10 0 AFAERN CC(=O)c1cc(C)c2[nH]ccc2c1 113165127 572230614 /nfs/dbraw/zinc/23/06/14/572230614.db2.gz HZAFINCABLETNW-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CCCC(=O)c1c[nH]c2ncccc12 36943778 572230615 /nfs/dbraw/zinc/23/06/15/572230615.db2.gz WMBRYGNXUHSKRA-UHFFFAOYSA-N 0 0 188.230 2.546 10 0 AFAERN CC[C@@H](C)C(=O)CC[C@H]1CCCO1 83529115 572230073 /nfs/dbraw/zinc/23/00/73/572230073.db2.gz WHURXDBEUMTBRM-NXEZZACHSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H](C)C(=O)CCC[C@H]1CCCO1 83529120 572230147 /nfs/dbraw/zinc/23/01/47/572230147.db2.gz HIGLCZSXEZLEKB-QWRGUYRKSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)CCC(=O)CC[C@H]1CCCO1 83529072 572230230 /nfs/dbraw/zinc/23/02/30/572230230.db2.gz RSBCKKWIEVFPHX-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)[C@H](CC[C@@H]1CCCO1)C(C)C 83527673 572230245 /nfs/dbraw/zinc/23/02/45/572230245.db2.gz GADMJYIRFBYBOU-NWDGAFQWSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H](C)C(=O)CC[C@@H]1CCCO1 83529113 572230306 /nfs/dbraw/zinc/23/03/06/572230306.db2.gz WHURXDBEUMTBRM-ZJUUUORDSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](CCC[C@@H]1CCCO1)C(C)=O 83527621 572230317 /nfs/dbraw/zinc/23/03/17/572230317.db2.gz LCPRJPPNLBJAQA-NWDGAFQWSA-N 0 0 198.306 2.951 10 0 AFAERN CCc1ccc2sc(NC)nc2c1 39343734 572231786 /nfs/dbraw/zinc/23/17/86/572231786.db2.gz RURGIRFUEZESGQ-UHFFFAOYSA-N 0 0 192.287 2.900 10 0 AFAERN O=C(CC[C@@H]1CCCO1)C1CCCC1 83529059 572230371 /nfs/dbraw/zinc/23/03/71/572230371.db2.gz CJBMWODMXIWQDA-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H]1CC[C@H](C(=O)C(F)F)C1 687797818 572230429 /nfs/dbraw/zinc/23/04/29/572230429.db2.gz IFJOTYZZHJHOQR-RQJHMYQMSA-N 0 0 176.206 2.647 10 0 AFAERN CC(=O)[C@@H](CC[C@H]1CCCO1)C(C)C 83527676 572230444 /nfs/dbraw/zinc/23/04/44/572230444.db2.gz GADMJYIRFBYBOU-NEPJUHHUSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H](CCC[C@H]1CCCO1)C(C)=O 83527623 572230447 /nfs/dbraw/zinc/23/04/47/572230447.db2.gz LCPRJPPNLBJAQA-RYUDHWBXSA-N 0 0 198.306 2.951 10 0 AFAERN O=C(CCC[C@H]1CCCO1)C1CCC1 83529154 572230452 /nfs/dbraw/zinc/23/04/52/572230452.db2.gz AGDYXYFYOKQNDY-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H](CC[C@@H]1CCCO1)C(C)=O 83527625 572230537 /nfs/dbraw/zinc/23/05/37/572230537.db2.gz FMNYMVSBTRXKFU-QWRGUYRKSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H](C)C(=O)CCC[C@@H]1CCCO1 83529118 572230553 /nfs/dbraw/zinc/23/05/53/572230553.db2.gz HIGLCZSXEZLEKB-WDEREUQCSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)C(=O)CCCC[C@@H]1CCCO1 83527611 572230572 /nfs/dbraw/zinc/23/05/72/572230572.db2.gz RIESAVZVYAQEAO-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC[C@@H](C)C1N=NC(=S)O1 300991858 572230578 /nfs/dbraw/zinc/23/05/78/572230578.db2.gz WBUDMSVJKHVFLI-ZCFIWIBFSA-N 0 0 186.280 2.652 10 0 AFAERN CC(=O)[C@H](CC[C@H]1CCCO1)C(C)C 83527675 572231792 /nfs/dbraw/zinc/23/17/92/572231792.db2.gz GADMJYIRFBYBOU-VXGBXAGGSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)CC(=O)CCC[C@H]1CCCO1 83529042 572230647 /nfs/dbraw/zinc/23/06/47/572230647.db2.gz VUKAQTFESUSSKP-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)CC(=O)CC[C@@H]1CCCO1 83529039 572230684 /nfs/dbraw/zinc/23/06/84/572230684.db2.gz XTISBYHVWSGXBT-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN O=C(CCCC[C@H]1CCCO1)C1CC1 83527677 572230721 /nfs/dbraw/zinc/23/07/21/572230721.db2.gz RDYXSMVSNGYCEJ-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CCC(=O)[C@@H](C)CCC[C@@H]1CCCO1 83527679 572230755 /nfs/dbraw/zinc/23/07/55/572230755.db2.gz PCAROAWVCRZCQZ-WDEREUQCSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)[C@H](C)CCC[C@@H]1CCCO1 83527614 572230784 /nfs/dbraw/zinc/23/07/84/572230784.db2.gz IYUSVQNSKXOVNQ-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](CC[C@H]1CCCO1)C(C)=O 83527627 572230819 /nfs/dbraw/zinc/23/08/19/572230819.db2.gz FMNYMVSBTRXKFU-WDEREUQCSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C(=O)CCCC[C@H]1CCCO1 83527612 572230844 /nfs/dbraw/zinc/23/08/44/572230844.db2.gz RIESAVZVYAQEAO-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](CC[C@@H]1CCCO1)C(C)=O 83527626 572231021 /nfs/dbraw/zinc/23/10/21/572231021.db2.gz FMNYMVSBTRXKFU-MNOVXSKESA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H]1CC[C@@H](C(=O)C(F)F)C1 687797817 572231028 /nfs/dbraw/zinc/23/10/28/572231028.db2.gz IFJOTYZZHJHOQR-RNFRBKRXSA-N 0 0 176.206 2.647 10 0 AFAERN CC(C)CC(=O)CCC[C@@H]1CCCO1 83529041 572231030 /nfs/dbraw/zinc/23/10/30/572231030.db2.gz VUKAQTFESUSSKP-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](CC[C@H]1CCCO1)C(C)=O 83527628 572231039 /nfs/dbraw/zinc/23/10/39/572231039.db2.gz FMNYMVSBTRXKFU-GHMZBOCLSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)(C)CC(=O)CC[C@@H]1CCCO1 83529123 572231044 /nfs/dbraw/zinc/23/10/44/572231044.db2.gz IQSXJFOXSHAFBG-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)[C@H](C)CCC[C@H]1CCCO1 83527616 572231103 /nfs/dbraw/zinc/23/11/03/572231103.db2.gz IYUSVQNSKXOVNQ-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C[C@H](C)N(C)CC(F)(F)F 687713485 572231078 /nfs/dbraw/zinc/23/10/78/572231078.db2.gz LBIBPMGFOGATMR-QMMMGPOBSA-N 0 0 197.244 2.915 10 0 AFAERN CC(=O)[C@@H](C)CCC[C@H]1CCCO1 83527615 572231131 /nfs/dbraw/zinc/23/11/31/572231131.db2.gz IYUSVQNSKXOVNQ-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC[C@H](C)C1N=NC(=S)O1 300991856 572231160 /nfs/dbraw/zinc/23/11/60/572231160.db2.gz WBUDMSVJKHVFLI-LURJTMIESA-N 0 0 186.280 2.652 10 0 AFAERN CCC(=O)[C@H](C)CC[C@@H]1CCCO1 83527684 572231169 /nfs/dbraw/zinc/23/11/69/572231169.db2.gz XXTTZGUVNCKXDT-ZJUUUORDSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)[C@@H](C)CC[C@H]1CCCO1 83527685 572231245 /nfs/dbraw/zinc/23/12/45/572231245.db2.gz XXTTZGUVNCKXDT-VHSXEESVSA-N 0 0 184.279 2.561 10 0 AFAERN OC1(CCC[C@@H]2CCCO2)CCCC1 83528321 572231265 /nfs/dbraw/zinc/23/12/65/572231265.db2.gz VMNPFUAOBMKRHY-LLVKDONJSA-N 0 0 198.306 2.641 10 0 AFAERN CC(C)CCC(=O)CC[C@@H]1CCCO1 83529071 572231269 /nfs/dbraw/zinc/23/12/69/572231269.db2.gz RSBCKKWIEVFPHX-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H](C)C(=O)CCC[C@H]1CCCO1 83529119 572231277 /nfs/dbraw/zinc/23/12/77/572231277.db2.gz HIGLCZSXEZLEKB-MNOVXSKESA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)[C@@H](CC[C@@H]1CCCO1)C(C)C 83527674 572231289 /nfs/dbraw/zinc/23/12/89/572231289.db2.gz GADMJYIRFBYBOU-RYUDHWBXSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@H](C)CCC[C@@H]1CCCO1 83527680 572231294 /nfs/dbraw/zinc/23/12/94/572231294.db2.gz PCAROAWVCRZCQZ-GHMZBOCLSA-N 0 0 198.306 2.951 10 0 AFAERN O=C1CCC[C@H]1CCC[C@@H]1CCCO1 83527630 572231307 /nfs/dbraw/zinc/23/13/07/572231307.db2.gz WQEFKMRCVDATBG-GHMZBOCLSA-N 0 0 196.290 2.705 10 0 AFAERN CCC(=O)CCCC[C@@H]1CCCO1 83527609 572231346 /nfs/dbraw/zinc/23/13/46/572231346.db2.gz UAUXQOSUSQBTND-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1ccc(F)c(F)c1 36941581 572231816 /nfs/dbraw/zinc/23/18/16/572231816.db2.gz JPKLXLXXFIXSKS-SVRRBLITSA-N 0 0 196.196 2.804 10 0 AFAERN CC(C)CC(=O)CC[C@H]1CCCO1 83529040 572231463 /nfs/dbraw/zinc/23/14/63/572231463.db2.gz XTISBYHVWSGXBT-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](C)C(=O)CCC[C@@H]1CCCO1 83529117 572231468 /nfs/dbraw/zinc/23/14/68/572231468.db2.gz HIGLCZSXEZLEKB-GHMZBOCLSA-N 0 0 198.306 2.951 10 0 AFAERN O=C1CCC[C@H]1CCC[C@H]1CCCO1 83527632 572231508 /nfs/dbraw/zinc/23/15/08/572231508.db2.gz WQEFKMRCVDATBG-MNOVXSKESA-N 0 0 196.290 2.705 10 0 AFAERN O=C(CCCC[C@@H]1CCCO1)C1CC1 83527678 572231513 /nfs/dbraw/zinc/23/15/13/572231513.db2.gz RDYXSMVSNGYCEJ-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CCC(=O)CCCC[C@H]1CCCO1 83527610 572231564 /nfs/dbraw/zinc/23/15/64/572231564.db2.gz UAUXQOSUSQBTND-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CCC(=O)[C@H](C)CC[C@H]1CCCO1 83527686 572231576 /nfs/dbraw/zinc/23/15/76/572231576.db2.gz XXTTZGUVNCKXDT-NXEZZACHSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1cc(N)ccc1NC1CCCC1 36950100 572231580 /nfs/dbraw/zinc/23/15/80/572231580.db2.gz YKLAOODOPDBLBV-UHFFFAOYSA-N 0 0 190.290 2.932 10 0 AFAERN O=C1CCC[C@@H]1CCC[C@H]1CCCO1 83527631 572231606 /nfs/dbraw/zinc/23/16/06/572231606.db2.gz WQEFKMRCVDATBG-QWRGUYRKSA-N 0 0 196.290 2.705 10 0 AFAERN O=C(CCC[C@@H]1CCCO1)C1CCC1 83529153 572231632 /nfs/dbraw/zinc/23/16/32/572231632.db2.gz AGDYXYFYOKQNDY-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)(C)CC(=O)CC[C@H]1CCCO1 83529124 572231636 /nfs/dbraw/zinc/23/16/36/572231636.db2.gz IQSXJFOXSHAFBG-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)[C@@H](C)CCC[C@@H]1CCCO1 83527613 572231717 /nfs/dbraw/zinc/23/17/17/572231717.db2.gz IYUSVQNSKXOVNQ-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN O=C(CC[C@H]1CCCO1)C1CCCC1 83529060 572231874 /nfs/dbraw/zinc/23/18/74/572231874.db2.gz CJBMWODMXIWQDA-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@H](C)C(=O)CC[C@@H]1CCCO1 83529114 572231926 /nfs/dbraw/zinc/23/19/26/572231926.db2.gz WHURXDBEUMTBRM-UWVGGRQHSA-N 0 0 184.279 2.561 10 0 AFAERN OC1(CCC[C@H]2CCCO2)CCCC1 83528322 572231950 /nfs/dbraw/zinc/23/19/50/572231950.db2.gz VMNPFUAOBMKRHY-NSHDSACASA-N 0 0 198.306 2.641 10 0 AFAERN CCC(=O)[C@@H](C)CC[C@@H]1CCCO1 83527683 572231976 /nfs/dbraw/zinc/23/19/76/572231976.db2.gz XXTTZGUVNCKXDT-UWVGGRQHSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)[C@@H](C)CCC[C@H]1CCCO1 83527681 572232009 /nfs/dbraw/zinc/23/20/09/572232009.db2.gz PCAROAWVCRZCQZ-QWRGUYRKSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](CCC[C@@H]1CCCO1)C(C)=O 83527622 572232023 /nfs/dbraw/zinc/23/20/23/572232023.db2.gz LCPRJPPNLBJAQA-VXGBXAGGSA-N 0 0 198.306 2.951 10 0 AFAERN CCc1ccc2c(c1)C(=O)CCCO2 36928555 572232071 /nfs/dbraw/zinc/23/20/71/572232071.db2.gz MURLKSLSEAHEGP-UHFFFAOYSA-N 0 0 190.242 2.604 10 0 AFAERN CCC(=O)[C@H](C)CCC[C@H]1CCCO1 83527682 572232112 /nfs/dbraw/zinc/23/21/12/572232112.db2.gz PCAROAWVCRZCQZ-MNOVXSKESA-N 0 0 198.306 2.951 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1ccc(F)c(F)c1 36941583 572232126 /nfs/dbraw/zinc/23/21/26/572232126.db2.gz JPKLXLXXFIXSKS-XPUUQOCRSA-N 0 0 196.196 2.804 10 0 AFAERN O=C1CCC[C@@H]1CCC[C@@H]1CCCO1 83527629 572232208 /nfs/dbraw/zinc/23/22/08/572232208.db2.gz WQEFKMRCVDATBG-WDEREUQCSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1ccc(F)c(F)c1 36941585 572232247 /nfs/dbraw/zinc/23/22/47/572232247.db2.gz JPKLXLXXFIXSKS-HTRCEHHLSA-N 0 0 196.196 2.804 10 0 AFAERN CC(=O)C[C@@H](C)CC[C@H]1CCCO1 83531593 572233143 /nfs/dbraw/zinc/23/31/43/572233143.db2.gz RQGVYJMIHLIZFA-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN O[C@H](CSc1ccccc1)C1CC1 83501504 572233148 /nfs/dbraw/zinc/23/31/48/572233148.db2.gz JRLWJAASNVBSCZ-LLVKDONJSA-N 0 0 194.299 2.550 10 0 AFAERN CC[C@@H](C)SC[C@@H](O)CC(C)C 83498619 572233189 /nfs/dbraw/zinc/23/31/89/572233189.db2.gz JDWWMEYOIUXGKY-ZJUUUORDSA-N 0 0 190.352 2.925 10 0 AFAERN O=C1CC[C@@H](CCC[C@@H]2CCCO2)C1 83531558 572232535 /nfs/dbraw/zinc/23/25/35/572232535.db2.gz XFRQARHNUZRDDP-ZYHUDNBSSA-N 0 0 196.290 2.705 10 0 AFAERN CC(=O)C[C@@H](C)CCC[C@H]1CCCO1 83531597 572232556 /nfs/dbraw/zinc/23/25/56/572232556.db2.gz LWJBJJHTXKBCEV-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H](C)SC[C@@H](O)C(C)C 83498519 572232620 /nfs/dbraw/zinc/23/26/20/572232620.db2.gz LARQYIADVCOKEA-RKDXNWHRSA-N 0 0 176.325 2.535 10 0 AFAERN CC[C@@H](C)SCC(=O)C(C)C 83498289 572232644 /nfs/dbraw/zinc/23/26/44/572232644.db2.gz FGTWFFYENLVHMU-MRVPVSSYSA-N 0 0 174.309 2.743 10 0 AFAERN CC(=O)C[C@@H](C)CCC[C@@H]1CCCO1 83531595 572232672 /nfs/dbraw/zinc/23/26/72/572232672.db2.gz LWJBJJHTXKBCEV-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)CCCCC[C@@H]1CCCO1 83531561 572232678 /nfs/dbraw/zinc/23/26/78/572232678.db2.gz CPWRGLXZPCCCIK-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN C/C=C/CCC(=O)C(C)C 36988276 572232680 /nfs/dbraw/zinc/23/26/80/572232680.db2.gz AMYFKLPYAVARPP-SNAWJCMRSA-N 0 0 140.226 2.568 10 0 AFAERN CCOC(=N)CS[C@H](C)CC 83499863 572232757 /nfs/dbraw/zinc/23/27/57/572232757.db2.gz PDQNCOMAIKQTBT-SSDOTTSWSA-N 0 0 175.297 2.532 10 0 AFAERN CC(=O)CC(C)(C)CC[C@H]1CCCO1 83531600 572232788 /nfs/dbraw/zinc/23/27/88/572232788.db2.gz JERJAVKISNBVOP-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](C)SC[C@@H](O)C(C)C 83498520 572232797 /nfs/dbraw/zinc/23/27/97/572232797.db2.gz LARQYIADVCOKEA-DTWKUNHWSA-N 0 0 176.325 2.535 10 0 AFAERN CC[C@H](C)SC[C@H](O)C(C)C 83498518 572233169 /nfs/dbraw/zinc/23/31/69/572233169.db2.gz LARQYIADVCOKEA-IUCAKERBSA-N 0 0 176.325 2.535 10 0 AFAERN CCC[C@@H](O)CS[C@H](C)CC 83498744 572232832 /nfs/dbraw/zinc/23/28/32/572232832.db2.gz JUWOKJTXAQINJE-RKDXNWHRSA-N 0 0 176.325 2.679 10 0 AFAERN CC[C@@H](C)CC(=O)OC1CCC1 393366229 572232846 /nfs/dbraw/zinc/23/28/46/572232846.db2.gz DWZDTCIMBAHNEG-MRVPVSSYSA-N 0 0 170.252 2.518 10 0 AFAERN CC[C@@H](C)SCC(=O)CC1CC1 83498299 572232920 /nfs/dbraw/zinc/23/29/20/572232920.db2.gz KHTYZVNWPYFVMJ-MRVPVSSYSA-N 0 0 186.320 2.887 10 0 AFAERN CC[C@@H](C)SC[C@@H](O)CC1CC1 83498895 572232944 /nfs/dbraw/zinc/23/29/44/572232944.db2.gz DLKSAACXRNKRKY-SCZZXKLOSA-N 0 0 188.336 2.679 10 0 AFAERN CC(=O)C[C@@H](C)CC[C@@H]1CCCO1 83531591 572233057 /nfs/dbraw/zinc/23/30/57/572233057.db2.gz RQGVYJMIHLIZFA-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C[C@@H](C)N(C)CC(F)(F)F 687713484 572233076 /nfs/dbraw/zinc/23/30/76/572233076.db2.gz LBIBPMGFOGATMR-MRVPVSSYSA-N 0 0 197.244 2.915 10 0 AFAERN CC[C@@H](C)SCC(=O)c1ccoc1 83498319 572233268 /nfs/dbraw/zinc/23/32/68/572233268.db2.gz QVMOJWOIRWBGPW-MRVPVSSYSA-N 0 0 198.287 2.994 10 0 AFAERN C=Cc1nc(CS[C@H](C)CC)no1 83497989 572233293 /nfs/dbraw/zinc/23/32/93/572233293.db2.gz KFASPRYRQNKBFT-SSDOTTSWSA-N 0 0 198.291 2.744 10 0 AFAERN CCC[C@@H](O)CS[C@@H](C)CC 83498742 572233626 /nfs/dbraw/zinc/23/36/26/572233626.db2.gz JUWOKJTXAQINJE-DTWKUNHWSA-N 0 0 176.325 2.679 10 0 AFAERN CC[C@@H](C)SC[C@@H](O)C(C)(C)C 83498843 572233669 /nfs/dbraw/zinc/23/36/69/572233669.db2.gz WJUFTPVCQWWDRI-RKDXNWHRSA-N 0 0 190.352 2.925 10 0 AFAERN CC[C@H](C)SC[C@H](O)C(C)(C)C 83498842 572233672 /nfs/dbraw/zinc/23/36/72/572233672.db2.gz WJUFTPVCQWWDRI-IUCAKERBSA-N 0 0 190.352 2.925 10 0 AFAERN C[C@H](Nc1cccc(O)c1)C1(C)CC1 36984394 572233692 /nfs/dbraw/zinc/23/36/92/572233692.db2.gz XKLRWBUVACKNAJ-VIFPVBQESA-N 0 0 191.274 2.993 10 0 AFAERN CC(=O)C[C@H](C)CCC[C@H]1CCCO1 83531598 572233750 /nfs/dbraw/zinc/23/37/50/572233750.db2.gz LWJBJJHTXKBCEV-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](C)SC[C@H](O)CC(C)C 83498618 572233765 /nfs/dbraw/zinc/23/37/65/572233765.db2.gz JDWWMEYOIUXGKY-VHSXEESVSA-N 0 0 190.352 2.925 10 0 AFAERN CC[C@H](C)SC[C@@H](O)C(C)(C)C 83498844 572233811 /nfs/dbraw/zinc/23/38/11/572233811.db2.gz WJUFTPVCQWWDRI-DTWKUNHWSA-N 0 0 190.352 2.925 10 0 AFAERN CC[C@H](C)SCC(=O)C(C)C 83498290 572233817 /nfs/dbraw/zinc/23/38/17/572233817.db2.gz FGTWFFYENLVHMU-QMMMGPOBSA-N 0 0 174.309 2.743 10 0 AFAERN CC[C@@H](C)SC[C@H](O)CC(C)C 83498617 572233820 /nfs/dbraw/zinc/23/38/20/572233820.db2.gz JDWWMEYOIUXGKY-NXEZZACHSA-N 0 0 190.352 2.925 10 0 AFAERN C=Cc1nc(CS[C@@H](C)CC)no1 83497990 572233822 /nfs/dbraw/zinc/23/38/22/572233822.db2.gz KFASPRYRQNKBFT-ZETCQYMHSA-N 0 0 198.291 2.744 10 0 AFAERN CCOC(=N)CSC1CCCC1 83500861 572233854 /nfs/dbraw/zinc/23/38/54/572233854.db2.gz USNNXFVNGNYOJY-UHFFFAOYSA-N 0 0 187.308 2.676 10 0 AFAERN CC[C@H](C)SC[C@@H](O)CC(C)C 83498620 572233861 /nfs/dbraw/zinc/23/38/61/572233861.db2.gz JDWWMEYOIUXGKY-UWVGGRQHSA-N 0 0 190.352 2.925 10 0 AFAERN O=C1CC[C@H](CCC[C@H]2CCCO2)C1 83531559 572233876 /nfs/dbraw/zinc/23/38/76/572233876.db2.gz XFRQARHNUZRDDP-JQWIXIFHSA-N 0 0 196.290 2.705 10 0 AFAERN CC(=O)C[C@H](C)CC[C@@H]1CCCO1 83531592 572233879 /nfs/dbraw/zinc/23/38/79/572233879.db2.gz RQGVYJMIHLIZFA-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](C)SC[C@H](O)CC1CC1 83498893 572233950 /nfs/dbraw/zinc/23/39/50/572233950.db2.gz DLKSAACXRNKRKY-PSASIEDQSA-N 0 0 188.336 2.679 10 0 AFAERN O=C1CC[C@@H](CCC[C@H]2CCCO2)C1 83531557 572233984 /nfs/dbraw/zinc/23/39/84/572233984.db2.gz XFRQARHNUZRDDP-PWSUYJOCSA-N 0 0 196.290 2.705 10 0 AFAERN COC(=N)CSC1CCCCC1 83501317 572233937 /nfs/dbraw/zinc/23/39/37/572233937.db2.gz LSZJTFJEVKCLOS-UHFFFAOYSA-N 0 0 187.308 2.676 10 0 AFAERN CC(=O)CC(C)(C)CC[C@@H]1CCCO1 83531599 572234050 /nfs/dbraw/zinc/23/40/50/572234050.db2.gz JERJAVKISNBVOP-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)CCCCC[C@H]1CCCO1 83531562 572234053 /nfs/dbraw/zinc/23/40/53/572234053.db2.gz CPWRGLXZPCCCIK-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CCC[C@H](O)CS[C@@H](C)CC 83498741 572234060 /nfs/dbraw/zinc/23/40/60/572234060.db2.gz JUWOKJTXAQINJE-IUCAKERBSA-N 0 0 176.325 2.679 10 0 AFAERN CC[C@H](C)SCC(=O)CC1CC1 83498300 572234082 /nfs/dbraw/zinc/23/40/82/572234082.db2.gz KHTYZVNWPYFVMJ-QMMMGPOBSA-N 0 0 186.320 2.887 10 0 AFAERN CC(=O)C[C@H](C)CCC[C@@H]1CCCO1 83531596 572234085 /nfs/dbraw/zinc/23/40/85/572234085.db2.gz LWJBJJHTXKBCEV-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](C)SC[C@H](O)CC1CC1 83498894 572234095 /nfs/dbraw/zinc/23/40/95/572234095.db2.gz DLKSAACXRNKRKY-WCBMZHEXSA-N 0 0 188.336 2.679 10 0 AFAERN COC(=O)c1cc(C)cc(C(C)C)c1 67802582 572234101 /nfs/dbraw/zinc/23/41/01/572234101.db2.gz ZCQCIELSQYKXMW-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN O=C1CC[C@H](CCC[C@@H]2CCCO2)C1 83531560 572234105 /nfs/dbraw/zinc/23/41/05/572234105.db2.gz XFRQARHNUZRDDP-CMPLNLGQSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@H](C)SCC(=O)c1ccoc1 83498320 572234269 /nfs/dbraw/zinc/23/42/69/572234269.db2.gz QVMOJWOIRWBGPW-QMMMGPOBSA-N 0 0 198.287 2.994 10 0 AFAERN CC(=O)C[C@H](C)CC[C@H]1CCCO1 83531594 572234297 /nfs/dbraw/zinc/23/42/97/572234297.db2.gz RQGVYJMIHLIZFA-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@@](C)(CC1CC1)C(=O)CC 687713802 572234373 /nfs/dbraw/zinc/23/43/73/572234373.db2.gz UTGUSFYPQNCWAR-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@]1(C(C)=O)CCC[C@H]1CC 687713818 572234487 /nfs/dbraw/zinc/23/44/87/572234487.db2.gz UWRBYEWOUJYXDF-MNOVXSKESA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H]1C[C@H]1Nc1cc(C)ccc1N 234128547 572234517 /nfs/dbraw/zinc/23/45/17/572234517.db2.gz QUHZGGZCGKREDG-GXSJLCMTSA-N 0 0 190.290 2.788 10 0 AFAERN CCO[C@](C)(CC1CC1)C(=O)CC 687713801 572234527 /nfs/dbraw/zinc/23/45/27/572234527.db2.gz UTGUSFYPQNCWAR-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN C=CC(=O)NCC[C@@H]1CCC[C@H](C)C1 70532334 572234551 /nfs/dbraw/zinc/23/45/51/572234551.db2.gz CLRCQZMFBDGFSK-QWRGUYRKSA-N 0 0 195.306 2.505 10 0 AFAERN CCO[C@@]1(C(C)=O)CCC[C@H]1CC 687713817 572234581 /nfs/dbraw/zinc/23/45/81/572234581.db2.gz UWRBYEWOUJYXDF-GHMZBOCLSA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@]1(C(C)=O)CCC[C@@H]1CC 687713819 572234773 /nfs/dbraw/zinc/23/47/73/572234773.db2.gz UWRBYEWOUJYXDF-QWRGUYRKSA-N 0 0 184.279 2.561 10 0 AFAERN CCO[C@@]1(C(C)=O)CCC[C@@H]1CC 687713820 572234783 /nfs/dbraw/zinc/23/47/83/572234783.db2.gz UWRBYEWOUJYXDF-WDEREUQCSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C[C@@H](C)CNN1CCCCC1 300998012 572234920 /nfs/dbraw/zinc/23/49/20/572234920.db2.gz WQHHKTNAGDVADU-GFCCVEGCSA-N 0 0 198.354 2.659 10 0 AFAERN CC(=O)C[C@@H](C)C(=O)[C@H](C)CC(C)C 300997959 572234966 /nfs/dbraw/zinc/23/49/66/572234966.db2.gz WPRUFNYQIAKMAJ-NXEZZACHSA-N 0 0 198.306 2.853 10 0 AFAERN CC(C)C[C@H](C)CNN1CCCCC1 300998014 572235074 /nfs/dbraw/zinc/23/50/74/572235074.db2.gz WQHHKTNAGDVADU-LBPRGKRZSA-N 0 0 198.354 2.659 10 0 AFAERN CC/C=C(\C)[C@@H](O)CCCC 144775781 572235198 /nfs/dbraw/zinc/23/51/98/572235198.db2.gz FWQUMLMBTRYAPD-PCYYEKQGSA-N 0 0 156.269 2.894 10 0 AFAERN C=CC(=O)NCCC1CCC(C)CC1 70532355 572235248 /nfs/dbraw/zinc/23/52/48/572235248.db2.gz JVAAGWSTJZEADA-UHFFFAOYSA-N 0 0 195.306 2.505 10 0 AFAERN CC(=O)C[C@H](C)C(=O)[C@H](C)CC(C)C 300997964 572235272 /nfs/dbraw/zinc/23/52/72/572235272.db2.gz WPRUFNYQIAKMAJ-ZJUUUORDSA-N 0 0 198.306 2.853 10 0 AFAERN CC[C@H]1C[C@H]1Nc1cc(C)cc(N)c1 234128489 572235500 /nfs/dbraw/zinc/23/55/00/572235500.db2.gz ISZHMAYQOGZYRA-JOYOIKCWSA-N 0 0 190.290 2.788 10 0 AFAERN CCCCCCC(=O)c1ccncn1 70533997 572235519 /nfs/dbraw/zinc/23/55/19/572235519.db2.gz PQRLBKWPKFGHCO-UHFFFAOYSA-N 0 0 192.262 2.630 10 0 AFAERN C=CC(=O)NCC[C@@H]1CCC[C@@H](C)C1 70532333 572235604 /nfs/dbraw/zinc/23/56/04/572235604.db2.gz CLRCQZMFBDGFSK-MNOVXSKESA-N 0 0 195.306 2.505 10 0 AFAERN C=CC(=O)NCC[C@H]1CCC[C@H](C)C1 70532332 572235616 /nfs/dbraw/zinc/23/56/16/572235616.db2.gz CLRCQZMFBDGFSK-WDEREUQCSA-N 0 0 195.306 2.505 10 0 AFAERN CC(=O)C[C@H](C)C(=O)[C@@H](C)CC(C)C 300997961 572235618 /nfs/dbraw/zinc/23/56/18/572235618.db2.gz WPRUFNYQIAKMAJ-UWVGGRQHSA-N 0 0 198.306 2.853 10 0 AFAERN CC[C@H]1CNc2cc(F)c(C)cc2N1 234126297 572235684 /nfs/dbraw/zinc/23/56/84/572235684.db2.gz GWGBAFMNXNFASD-QMMMGPOBSA-N 0 0 194.253 2.750 10 0 AFAERN CC(C)CCCc1cc[nH+]c(N)c1 70535492 572235826 /nfs/dbraw/zinc/23/58/26/572235826.db2.gz ZGVLJHJZKQNSOH-UHFFFAOYSA-N 0 0 178.279 2.643 10 0 AFAERN CC/C=C(\C)[C@H](O)CCCC 144775971 572235827 /nfs/dbraw/zinc/23/58/27/572235827.db2.gz FWQUMLMBTRYAPD-TTZKWOQHSA-N 0 0 156.269 2.894 10 0 AFAERN CCCCCc1cc(C)c[nH+]c1N 70531696 572236007 /nfs/dbraw/zinc/23/60/07/572236007.db2.gz KZWHUAUPUXZTLE-UHFFFAOYSA-N 0 0 178.279 2.705 10 0 AFAERN Cc1ccc(-c2cc(C)c(N)cn2)cc1 300995254 572236017 /nfs/dbraw/zinc/23/60/17/572236017.db2.gz WCOOWUQUEPHGIM-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCCCc1c(C)cc[nH+]c1N 70531695 572236087 /nfs/dbraw/zinc/23/60/87/572236087.db2.gz MAWRTCKRMWSXBM-UHFFFAOYSA-N 0 0 178.279 2.705 10 0 AFAERN CC(=O)C[C@@H](C)C(=O)[C@@H](C)CC(C)C 300997963 572236224 /nfs/dbraw/zinc/23/62/24/572236224.db2.gz WPRUFNYQIAKMAJ-VHSXEESVSA-N 0 0 198.306 2.853 10 0 AFAERN Cc1ccc(NC2CCCC2)nc1 21013679 572238747 /nfs/dbraw/zinc/23/87/47/572238747.db2.gz XSANMCAEBWQOOE-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN COCCCC[C@H](O)[C@@H]1CC=CCC1 686328941 572238878 /nfs/dbraw/zinc/23/88/78/572238878.db2.gz HVMVSUUYIXRRLO-NEPJUHHUSA-N 0 0 198.306 2.520 10 0 AFAERN CC[C@@H](C)Nc1ccc(C)cn1 21023825 572239264 /nfs/dbraw/zinc/23/92/64/572239264.db2.gz VPYFPIROLXCVEB-SECBINFHSA-N 0 0 164.252 2.600 10 0 AFAERN CC(F)(F)Cc1cccs1 88245223 572239848 /nfs/dbraw/zinc/23/98/48/572239848.db2.gz NAFQPISKQYONJI-UHFFFAOYSA-N 0 0 162.204 2.946 10 0 AFAERN Cc1ccc(C(C)(C)C)o1 21085359 572240244 /nfs/dbraw/zinc/24/02/44/572240244.db2.gz OREGZZQVSPQZNG-UHFFFAOYSA-N 0 0 138.210 2.886 10 0 AFAERN COCCCC[C@H](O)[C@H]1CC=CCC1 686328944 572240678 /nfs/dbraw/zinc/24/06/78/572240678.db2.gz HVMVSUUYIXRRLO-RYUDHWBXSA-N 0 0 198.306 2.520 10 0 AFAERN COCCCC[C@@H](O)[C@@H]1CC=CCC1 686328946 572240872 /nfs/dbraw/zinc/24/08/72/572240872.db2.gz HVMVSUUYIXRRLO-VXGBXAGGSA-N 0 0 198.306 2.520 10 0 AFAERN Cc1cncc(-c2ccco2)c1 88314892 572240966 /nfs/dbraw/zinc/24/09/66/572240966.db2.gz ZJPKEPMQYABKRY-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN Cc1cc(N)ccc1-c1ccc(O)cc1 34745078 572241191 /nfs/dbraw/zinc/24/11/91/572241191.db2.gz QTEULXFWUJXYPF-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN CCCC1([C@H](O)CC2CC2)CC1 393369379 572241311 /nfs/dbraw/zinc/24/13/11/572241311.db2.gz KMXMBJDDCCREQJ-SNVBAGLBSA-N 0 0 168.280 2.728 10 0 AFAERN COCCCC[C@@H](O)[C@H]1CC=CCC1 686328943 572241868 /nfs/dbraw/zinc/24/18/68/572241868.db2.gz HVMVSUUYIXRRLO-NWDGAFQWSA-N 0 0 198.306 2.520 10 0 AFAERN CCCC1([C@@H](O)CC2CC2)CC1 393369377 572241901 /nfs/dbraw/zinc/24/19/01/572241901.db2.gz KMXMBJDDCCREQJ-JTQLQIEISA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cc(N)cc(-c2cccnc2)c1C 725346396 572244562 /nfs/dbraw/zinc/24/45/62/572244562.db2.gz QRFJIAWHIALLOK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN c1cc2c(o1)CCCCCC2 21366597 572245001 /nfs/dbraw/zinc/24/50/01/572245001.db2.gz APDGXZSDJDGIOJ-UHFFFAOYSA-N 0 0 150.221 2.939 10 0 AFAERN CC(C)OCC[C@H](O)CC(C)(C)C 687714968 572249126 /nfs/dbraw/zinc/24/91/26/572249126.db2.gz CXWZVDVJZNVCAZ-JTQLQIEISA-N 0 0 188.311 2.599 10 0 AFAERN C/C=C/c1ccccc1OCC(C)=O 48022434 572246716 /nfs/dbraw/zinc/24/67/16/572246716.db2.gz OKLHBPBVBXENIM-ZZXKWVIFSA-N 0 0 190.242 2.688 10 0 AFAERN CCC(CC)Nc1ccc(C)cn1 21513306 572246807 /nfs/dbraw/zinc/24/68/07/572246807.db2.gz CIRBAXCMJNGZCF-UHFFFAOYSA-N 0 0 178.279 2.991 10 0 AFAERN CC[C@@H](C)OCC(=O)c1cccs1 48265085 572247374 /nfs/dbraw/zinc/24/73/74/572247374.db2.gz OASNJMXOQYRBTC-MRVPVSSYSA-N 0 0 198.287 2.746 10 0 AFAERN CC[C@H](C)OCC(=O)c1cccs1 48265087 572247931 /nfs/dbraw/zinc/24/79/31/572247931.db2.gz OASNJMXOQYRBTC-QMMMGPOBSA-N 0 0 198.287 2.746 10 0 AFAERN CCC[C@@]1(O)C=C[C@@H](CC)CC1 725349058 572248198 /nfs/dbraw/zinc/24/81/98/572248198.db2.gz ARYBGMJMUNAKDE-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)CCC(C)(C)C)O1 168134452 572248295 /nfs/dbraw/zinc/24/82/95/572248295.db2.gz SPFFTTOELXYWMV-KOLCDFICSA-N 0 0 198.306 2.949 10 0 AFAERN CC[C@H](C)OCC(=O)c1ccccc1 48265165 572248334 /nfs/dbraw/zinc/24/83/34/572248334.db2.gz ZZPODGQVWDUUFQ-JTQLQIEISA-N 0 0 192.258 2.684 10 0 AFAERN CC(C)(C)CCC(=O)[C@H]1CCCCO1 168132873 572248510 /nfs/dbraw/zinc/24/85/10/572248510.db2.gz NIGDYCLKOQHRQG-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)CCC(C)(C)C)O1 168134557 572248549 /nfs/dbraw/zinc/24/85/49/572248549.db2.gz SPFFTTOELXYWMV-ONGXEEELSA-N 0 0 198.306 2.949 10 0 AFAERN CC[C@H](C)OCCCCC(C)=O 48265108 572248612 /nfs/dbraw/zinc/24/86/12/572248612.db2.gz MYYISVGTNLMPKC-JTQLQIEISA-N 0 0 172.268 2.561 10 0 AFAERN C[C@H]1OCC[C@@H]1C(=O)CCC(C)(C)C 168132438 572248741 /nfs/dbraw/zinc/24/87/41/572248741.db2.gz PYGPZKPPIZFIEK-ZJUUUORDSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H](C)OCC(=O)c1ccccc1 48265163 572248826 /nfs/dbraw/zinc/24/88/26/572248826.db2.gz ZZPODGQVWDUUFQ-SNVBAGLBSA-N 0 0 192.258 2.684 10 0 AFAERN C[C@@H]1OCC[C@@H]1C(=O)CCC(C)(C)C 168132547 572248837 /nfs/dbraw/zinc/24/88/37/572248837.db2.gz PYGPZKPPIZFIEK-UWVGGRQHSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)(C)CCC(=O)[C@@H]1CCCCO1 168132760 572248839 /nfs/dbraw/zinc/24/88/39/572248839.db2.gz NIGDYCLKOQHRQG-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN C[C@H]1CC[C@H](C(=O)CCC(C)(C)C)O1 168134353 572248846 /nfs/dbraw/zinc/24/88/46/572248846.db2.gz SPFFTTOELXYWMV-GXSJLCMTSA-N 0 0 198.306 2.949 10 0 AFAERN CC[C@@H](C)OCCCCC(C)=O 48265107 572248873 /nfs/dbraw/zinc/24/88/73/572248873.db2.gz MYYISVGTNLMPKC-SNVBAGLBSA-N 0 0 172.268 2.561 10 0 AFAERN CC(C)[C@H](C)SCCC1(O)CC1 393373048 572249261 /nfs/dbraw/zinc/24/92/61/572249261.db2.gz PRQRJNOCEJVTOY-VIFPVBQESA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)[C@H](CO)C[C@H](C)CC(F)F 687892622 572249460 /nfs/dbraw/zinc/24/94/60/572249460.db2.gz URSDITCYPRVQMG-IUCAKERBSA-N 0 0 194.265 2.932 10 0 AFAERN CC(C)[C@@H](C)SCCC1(O)CC1 393373046 572249466 /nfs/dbraw/zinc/24/94/66/572249466.db2.gz PRQRJNOCEJVTOY-SECBINFHSA-N 0 0 188.336 2.679 10 0 AFAERN CCCCOCC[C@H](O)[C@@H](C)CC 687714879 572249583 /nfs/dbraw/zinc/24/95/83/572249583.db2.gz FGRCDZFRJYGDEY-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CCC[C@@H](O)c1ccc(OC)cc1F 48454310 572249611 /nfs/dbraw/zinc/24/96/11/572249611.db2.gz UFFBHHQVBDZTRF-LLVKDONJSA-N 0 0 198.237 2.668 10 0 AFAERN CC(C)[C@@H](CO)C[C@H](C)CC(F)F 687892621 572249794 /nfs/dbraw/zinc/24/97/94/572249794.db2.gz URSDITCYPRVQMG-DTWKUNHWSA-N 0 0 194.265 2.932 10 0 AFAERN CCCCOCC[C@@H](O)[C@@H](C)CC 687714880 572250260 /nfs/dbraw/zinc/25/02/60/572250260.db2.gz FGRCDZFRJYGDEY-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)[C@H](CO)C[C@@H](C)CC(F)F 687892616 572250420 /nfs/dbraw/zinc/25/04/20/572250420.db2.gz URSDITCYPRVQMG-BDAKNGLRSA-N 0 0 194.265 2.932 10 0 AFAERN CC(C)[C@@H](CO)C[C@@H](C)CC(F)F 687892623 572250490 /nfs/dbraw/zinc/25/04/90/572250490.db2.gz URSDITCYPRVQMG-RKDXNWHRSA-N 0 0 194.265 2.932 10 0 AFAERN CC(C)OCC[C@@H](O)CC(C)(C)C 687714969 572250514 /nfs/dbraw/zinc/25/05/14/572250514.db2.gz CXWZVDVJZNVCAZ-SNVBAGLBSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](O)c1ccc(OC)cc1F 48454307 572250588 /nfs/dbraw/zinc/25/05/88/572250588.db2.gz UFFBHHQVBDZTRF-NSHDSACASA-N 0 0 198.237 2.668 10 0 AFAERN CC[C@@H]1CC[C@H]([C@@H](N)C(F)(F)F)C1 687715055 572251562 /nfs/dbraw/zinc/25/15/62/572251562.db2.gz AJQMCVDVPNQLQW-GJMOJQLCSA-N 0 0 195.228 2.702 10 0 AFAERN CCCCOCC[C@@H](O)[C@H](C)CC 687714877 572251837 /nfs/dbraw/zinc/25/18/37/572251837.db2.gz FGRCDZFRJYGDEY-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@H]1CC[C@@H]([C@@H](N)C(F)(F)F)C1 687715054 572251989 /nfs/dbraw/zinc/25/19/89/572251989.db2.gz AJQMCVDVPNQLQW-BWZBUEFSSA-N 0 0 195.228 2.702 10 0 AFAERN C[C@@H]1CCC(=O)C[C@H]1C1CCC1 725354757 572252453 /nfs/dbraw/zinc/25/24/53/572252453.db2.gz JXMHGXVBBRFFCL-LDYMZIIASA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@H](C)OC[C@H]1CC=CC[C@H]1C 50160245 572252578 /nfs/dbraw/zinc/25/25/78/572252578.db2.gz PHHKYJDWCGPOIR-ADEWGFFLSA-N 0 0 196.290 2.583 10 0 AFAERN CC(=O)[C@H](C)OC[C@@H]1CC=CC[C@H]1C 50160247 572252580 /nfs/dbraw/zinc/25/25/80/572252580.db2.gz PHHKYJDWCGPOIR-USWWRNFRSA-N 0 0 196.290 2.583 10 0 AFAERN c1ccc2nc(NC3CC3)ccc2c1 21794544 572252610 /nfs/dbraw/zinc/25/26/10/572252610.db2.gz NRKBRDRNXXGHML-UHFFFAOYSA-N 0 0 184.242 2.809 10 0 AFAERN CCCCOCC[C@H](O)[C@H](C)CC 687714878 572252714 /nfs/dbraw/zinc/25/27/14/572252714.db2.gz FGRCDZFRJYGDEY-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@H](C)C[C@](O)(CC)C1CC1 83507459 572329170 /nfs/dbraw/zinc/32/91/70/572329170.db2.gz ILNUGAZFAPTKFS-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN COCC[C@](C)(O)CCC(C)(C)C 83503778 572327269 /nfs/dbraw/zinc/32/72/69/572327269.db2.gz ZQXBFRKDZNKRDS-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN COCC[C@@](C)(O)CCC(C)(C)C 83503777 572327273 /nfs/dbraw/zinc/32/72/73/572327273.db2.gz ZQXBFRKDZNKRDS-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@H](C)CC(O)(CC)CC 83503335 572327279 /nfs/dbraw/zinc/32/72/79/572327279.db2.gz FGJMKJVRSBVZPS-SECBINFHSA-N 0 0 158.285 2.974 10 0 AFAERN C=C/C=C/CCOc1ccc(O)cc1 713673384 572327126 /nfs/dbraw/zinc/32/71/26/572327126.db2.gz LQAKFSFOIWELJM-ONEGZZNKSA-N 0 0 190.242 2.903 10 0 AFAERN CC[C@H](C)CC(O)(CC)CC 83503336 572327339 /nfs/dbraw/zinc/32/73/39/572327339.db2.gz FGJMKJVRSBVZPS-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@@H](C)[C@H]1CCC[C@H](O)C1 59787732 572327388 /nfs/dbraw/zinc/32/73/88/572327388.db2.gz LAWZLECFBHTKKI-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN C/C(=C\[C@@H](O)CC(C)C)C(C)C 307975908 572327392 /nfs/dbraw/zinc/32/73/92/572327392.db2.gz GZFYOEAYYFCACH-HUYFXPKMSA-N 0 0 170.296 2.996 10 0 AFAERN CCC[C@@H](C)C[C@H](O)CCSC 83505802 572327393 /nfs/dbraw/zinc/32/73/93/572327393.db2.gz QJAHPURNHKBTPI-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN CC[C@@](C)(O)CCc1ccsc1 83503262 572327455 /nfs/dbraw/zinc/32/74/55/572327455.db2.gz LUYSWXATCLSWSW-SNVBAGLBSA-N 0 0 184.304 2.842 10 0 AFAERN CCCCCC[C@](C)(O)CCOC 83503781 572327413 /nfs/dbraw/zinc/32/74/13/572327413.db2.gz OAANQIWNFXETNR-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCC[C@@H](C)C[C@@](C)(O)C1CC1 83503456 572327419 /nfs/dbraw/zinc/32/74/19/572327419.db2.gz CIKOGYYDOYWISK-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](C)C[C@@](C)(O)C1CC1 83503457 572327465 /nfs/dbraw/zinc/32/74/65/572327465.db2.gz CIKOGYYDOYWISK-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@](C)(O)CCc1cccs1 83503288 572327488 /nfs/dbraw/zinc/32/74/88/572327488.db2.gz HSWQOFORPFKKEH-SNVBAGLBSA-N 0 0 184.304 2.842 10 0 AFAERN CSCC[C@H](O)CCC(C)(C)C 83505743 572327497 /nfs/dbraw/zinc/32/74/97/572327497.db2.gz VJIRWZSARJICGS-SECBINFHSA-N 0 0 190.352 2.927 10 0 AFAERN CC(C)(C)CSc1ccc(N)nc1 713237250 572327592 /nfs/dbraw/zinc/32/75/92/572327592.db2.gz YMBHGVBUJZHLTO-UHFFFAOYSA-N 0 0 196.319 2.802 10 0 AFAERN CCC[C@H](C)C[C@](C)(O)C1CC1 83503455 572327521 /nfs/dbraw/zinc/32/75/21/572327521.db2.gz CIKOGYYDOYWISK-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@H]1CCCC[C@H](O)C1 59787748 572327677 /nfs/dbraw/zinc/32/76/77/572327677.db2.gz FUMIFEJNURFMQM-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H](C)C[C@](C)(O)C1CC1 83503454 572327698 /nfs/dbraw/zinc/32/76/98/572327698.db2.gz CIKOGYYDOYWISK-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@@H]1CCCC[C@H]1CO 196334425 572327703 /nfs/dbraw/zinc/32/77/03/572327703.db2.gz QKGPYUJMGAZCCC-MNOVXSKESA-N 0 0 170.296 2.975 10 0 AFAERN C/C(=C/[C@@H]1CC=CCC1)[C@@H](C)O 307976889 572328058 /nfs/dbraw/zinc/32/80/58/572328058.db2.gz IYNVIIDIJZFJDX-DLXGREBBSA-N 0 0 166.264 2.670 10 0 AFAERN C/C(=C/[C@@H]1CC=CCC1)[C@H](C)O 307976890 572328071 /nfs/dbraw/zinc/32/80/71/572328071.db2.gz IYNVIIDIJZFJDX-DOSOYNOZSA-N 0 0 166.264 2.670 10 0 AFAERN Cc1cccc(-c2ccncc2CO)c1 86841642 572328073 /nfs/dbraw/zinc/32/80/73/572328073.db2.gz RNWIMUQIELRPTC-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN CCOCCCNc1cccc(C)c1 83550361 572328255 /nfs/dbraw/zinc/32/82/55/572328255.db2.gz MJKDACAYTCCXDX-UHFFFAOYSA-N 0 0 193.290 2.834 10 0 AFAERN C=C/C=C/CC[C@]1(O)CCCSC1 713674076 572326127 /nfs/dbraw/zinc/32/61/27/572326127.db2.gz OUFGYWQWTNNJDM-UFFNRZRYSA-N 0 0 198.331 2.767 10 0 AFAERN C/C=C\C1=CCCCC[C@@H](O)C1 307975559 572326143 /nfs/dbraw/zinc/32/61/43/572326143.db2.gz GSPJBFDXGRYKPY-BLZGRYJLSA-N 0 0 166.264 2.814 10 0 AFAERN O=C1COCc2ccc3ccccc3c21 238622735 572326171 /nfs/dbraw/zinc/32/61/71/572326171.db2.gz XMGQFYQCCBPQLH-UHFFFAOYSA-N 0 0 198.221 2.553 10 0 AFAERN CCCC[C@](C)(O)[C@@H](C)CC 83503575 572326181 /nfs/dbraw/zinc/32/61/81/572326181.db2.gz JEBZCASOCDXENQ-UWVGGRQHSA-N 0 0 158.285 2.974 10 0 AFAERN CCCC[C@](C)(O)[C@H](C)CC 83503577 572326203 /nfs/dbraw/zinc/32/62/03/572326203.db2.gz JEBZCASOCDXENQ-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN C/C=C\C1=CCCCC[C@H](O)C1 307975560 572326219 /nfs/dbraw/zinc/32/62/19/572326219.db2.gz GSPJBFDXGRYKPY-VWRJOTSSSA-N 0 0 166.264 2.814 10 0 AFAERN CCC[C@@H](C)C[C@](C)(O)CCOC 83503829 572326220 /nfs/dbraw/zinc/32/62/20/572326220.db2.gz WOONGOIPIVMNMJ-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@H](C)C[C@@H](O)CCSC 83505795 572326237 /nfs/dbraw/zinc/32/62/37/572326237.db2.gz FLQDWGGABMYUEJ-IUCAKERBSA-N 0 0 176.325 2.537 10 0 AFAERN C[C@](O)(CCc1ccsc1)C1CC1 83503415 572326258 /nfs/dbraw/zinc/32/62/58/572326258.db2.gz GOXQEMGJZXTYPF-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CC[C@@H](C)C[C@H](O)CCSC 83505792 572326291 /nfs/dbraw/zinc/32/62/91/572326291.db2.gz FLQDWGGABMYUEJ-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN CCCC[C@@H](O)c1ccc(C)o1 83504548 572326298 /nfs/dbraw/zinc/32/62/98/572326298.db2.gz JHEKTJPJMNQKRA-SECBINFHSA-N 0 0 168.236 2.812 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)CCSC 83505804 572326306 /nfs/dbraw/zinc/32/63/06/572326306.db2.gz QJAHPURNHKBTPI-ZJUUUORDSA-N 0 0 190.352 2.927 10 0 AFAERN C/C(=C\CO)CC[C@H](C)C(C)C 238196395 572326368 /nfs/dbraw/zinc/32/63/68/572326368.db2.gz WEOWPJWXZTZMBX-HUYFXPKMSA-N 0 0 170.296 2.997 10 0 AFAERN CSCC[C@H](O)CC1CCCC1 83505788 572326385 /nfs/dbraw/zinc/32/63/85/572326385.db2.gz KADNOQMXRYOAQI-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)(C)CC[C@@](C)(O)C1CC1 83503407 572326417 /nfs/dbraw/zinc/32/64/17/572326417.db2.gz RXCVKSDTCKMBFU-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@@](C)(O)[C@H](C)CC 83503578 572326419 /nfs/dbraw/zinc/32/64/19/572326419.db2.gz JEBZCASOCDXENQ-NXEZZACHSA-N 0 0 158.285 2.974 10 0 AFAERN CCCC[C@H](O)[C@@H]1CC=CCC1 83505600 572326437 /nfs/dbraw/zinc/32/64/37/572326437.db2.gz IYQNHEPXFMKTME-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN C/C(=C\[C@H](O)CC(C)C)C(C)C 307975909 572326468 /nfs/dbraw/zinc/32/64/68/572326468.db2.gz GZFYOEAYYFCACH-PFEDMVJOSA-N 0 0 170.296 2.996 10 0 AFAERN CC(C)/C(=C\[C@@H](C)O)[Si](C)(C)C 307974914 572326504 /nfs/dbraw/zinc/32/65/04/572326504.db2.gz DYPUDSLPHNUNME-YIXGCBLDSA-N 0 0 186.371 2.827 10 0 AFAERN CC[C@](C)(O)CCc1ccsc1 83503261 572326505 /nfs/dbraw/zinc/32/65/05/572326505.db2.gz LUYSWXATCLSWSW-JTQLQIEISA-N 0 0 184.304 2.842 10 0 AFAERN CC[C@H](C)C[C@H](O)CCSC 83505793 572326510 /nfs/dbraw/zinc/32/65/10/572326510.db2.gz FLQDWGGABMYUEJ-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN CCC[C@@H](C)C[C@@](C)(O)CCOC 83503831 572326540 /nfs/dbraw/zinc/32/65/40/572326540.db2.gz WOONGOIPIVMNMJ-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN Cc1ccc(CCCCF)cn1 196328679 572326565 /nfs/dbraw/zinc/32/65/65/572326565.db2.gz UWNLPZJXMKWQGN-UHFFFAOYSA-N 0 0 167.227 2.682 10 0 AFAERN C/C(=C/CO)CCCC(F)(F)F 307975918 572326576 /nfs/dbraw/zinc/32/65/76/572326576.db2.gz HAUIPFXJZOXUNB-DAXSKMNVSA-N 0 0 182.185 2.658 10 0 AFAERN CCCCCCC(C)(C)CC(N)=O 238197628 572326675 /nfs/dbraw/zinc/32/66/75/572326675.db2.gz CRIUEATTZMJICD-UHFFFAOYSA-N 0 0 185.311 2.858 10 0 AFAERN CC[C@@H](C)C[C@H](C)/C=C(\C)CO 307975243 572326690 /nfs/dbraw/zinc/32/66/90/572326690.db2.gz FQINGVLYTQYBLJ-UXGDCZJJSA-N 0 0 170.296 2.997 10 0 AFAERN CCCCC[C@](C)(O)C1CC1 83503400 572326723 /nfs/dbraw/zinc/32/67/23/572326723.db2.gz WWRUKUQJLPVUDN-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CCCCC[C@@H](O)CCSC 83505737 572326740 /nfs/dbraw/zinc/32/67/40/572326740.db2.gz PLGIPZSQFCLMNC-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN CCC[C@H]1CCCC[C@@H](O)C1 59787712 572326750 /nfs/dbraw/zinc/32/67/50/572326750.db2.gz OGIHDLRCEMRCPO-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1ccc(-c2ccncc2CO)cc1 86841599 572326752 /nfs/dbraw/zinc/32/67/52/572326752.db2.gz LMBCHJSWODGEFO-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN CSCC[C@@H](O)CC1CCCC1 83505789 572326766 /nfs/dbraw/zinc/32/67/66/572326766.db2.gz KADNOQMXRYOAQI-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@@H](C)[C@@H]1CCC[C@H](O)C1 59787726 572327234 /nfs/dbraw/zinc/32/72/34/572327234.db2.gz LAWZLECFBHTKKI-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](C)C[C@@H](O)CCSC 83505794 572326796 /nfs/dbraw/zinc/32/67/96/572326796.db2.gz FLQDWGGABMYUEJ-BDAKNGLRSA-N 0 0 176.325 2.537 10 0 AFAERN CCC[C@H](C)C[C@@](C)(O)CCOC 83503832 572326824 /nfs/dbraw/zinc/32/68/24/572326824.db2.gz WOONGOIPIVMNMJ-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CSCC[C@H](O)CCC(C)C 83505777 572326856 /nfs/dbraw/zinc/32/68/56/572326856.db2.gz AEYGRVVSAFUWQC-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CCCC[C@H](O)[C@H]1CC=CCC1 83505598 572326869 /nfs/dbraw/zinc/32/68/69/572326869.db2.gz IYQNHEPXFMKTME-QWRGUYRKSA-N 0 0 168.280 2.894 10 0 AFAERN CCC/C=C\[C@H](O)c1nccs1 307975491 572326904 /nfs/dbraw/zinc/32/69/04/572326904.db2.gz GBGSZCWTOIWOSJ-LGYSABEFSA-N 0 0 183.276 2.533 10 0 AFAERN Cc1cccc(S/C=C\CO)c1 307975913 572326938 /nfs/dbraw/zinc/32/69/38/572326938.db2.gz GZLGLCCCWXZINH-CLTKARDFSA-N 0 0 180.272 2.593 10 0 AFAERN CCC[C@H](C)C[C@@H](O)CCSC 83505805 572326946 /nfs/dbraw/zinc/32/69/46/572326946.db2.gz QJAHPURNHKBTPI-UWVGGRQHSA-N 0 0 190.352 2.927 10 0 AFAERN CCCCC[C@@](C)(O)C1CC1 83503401 572326954 /nfs/dbraw/zinc/32/69/54/572326954.db2.gz WWRUKUQJLPVUDN-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@H]1CCCC[C@@H](O)C1 59787710 572326985 /nfs/dbraw/zinc/32/69/85/572326985.db2.gz OGIHDLRCEMRCPO-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@H](C)C[C@](C)(O)CCOC 83503830 572327014 /nfs/dbraw/zinc/32/70/14/572327014.db2.gz WOONGOIPIVMNMJ-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCC/C=C\[C@@H](O)c1nccs1 307975492 572327062 /nfs/dbraw/zinc/32/70/62/572327062.db2.gz GBGSZCWTOIWOSJ-PULIVWKDSA-N 0 0 183.276 2.533 10 0 AFAERN C[C@@](O)(CCc1ccsc1)C1CC1 83503414 572327105 /nfs/dbraw/zinc/32/71/05/572327105.db2.gz GOXQEMGJZXTYPF-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN CCCC[C@@H](O)[C@@H]1CC=CCC1 83505601 572327116 /nfs/dbraw/zinc/32/71/16/572327116.db2.gz IYQNHEPXFMKTME-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CCCC[C@@](C)(O)[C@@H](C)CC 83503576 572327119 /nfs/dbraw/zinc/32/71/19/572327119.db2.gz JEBZCASOCDXENQ-VHSXEESVSA-N 0 0 158.285 2.974 10 0 AFAERN CCC(O)(CC)Cc1ccsc1 83503326 572327122 /nfs/dbraw/zinc/32/71/22/572327122.db2.gz RINZDHCZFVMHEK-UHFFFAOYSA-N 0 0 184.304 2.842 10 0 AFAERN CCCCC[C@H](O)CCSC 83505736 572327124 /nfs/dbraw/zinc/32/71/24/572327124.db2.gz PLGIPZSQFCLMNC-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN CCCCC/C=C\C1(CO)CC1 307974858 572327138 /nfs/dbraw/zinc/32/71/38/572327138.db2.gz DUHZAWWPQGQRCG-SREVYHEPSA-N 0 0 168.280 2.895 10 0 AFAERN CC(C)(C)CC[C@](C)(O)C1CC1 83503406 572327140 /nfs/dbraw/zinc/32/71/40/572327140.db2.gz RXCVKSDTCKMBFU-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@@H]1CCCC[C@H](O)C1 59787746 572327148 /nfs/dbraw/zinc/32/71/48/572327148.db2.gz FUMIFEJNURFMQM-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@](O)(CCc1cccs1)C1CC1 83503437 572327160 /nfs/dbraw/zinc/32/71/60/572327160.db2.gz YFQWCSJGPLHIEF-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CC[C@](O)(CCC(C)(C)C)COC 83506666 572328579 /nfs/dbraw/zinc/32/85/79/572328579.db2.gz UDQGCWSQIBOKBU-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CCC(O)(CC)CCC(C)C 83503327 572327564 /nfs/dbraw/zinc/32/75/64/572327564.db2.gz OVNWNIGFDDVFHC-UHFFFAOYSA-N 0 0 158.285 2.974 10 0 AFAERN CCCC[C@H](O)c1ccc(C)o1 83504547 572327598 /nfs/dbraw/zinc/32/75/98/572327598.db2.gz JHEKTJPJMNQKRA-VIFPVBQESA-N 0 0 168.236 2.812 10 0 AFAERN CCCC[C@@H](O)[C@H]1CC=CCC1 83505599 572327615 /nfs/dbraw/zinc/32/76/15/572327615.db2.gz IYQNHEPXFMKTME-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN CSCC[C@@H](O)CCC(C)C 83505776 572327631 /nfs/dbraw/zinc/32/76/31/572327631.db2.gz AEYGRVVSAFUWQC-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN CC[C@@H](C)C[C@H](C)/C=C(/C)CO 307975241 572327633 /nfs/dbraw/zinc/32/76/33/572327633.db2.gz FQINGVLYTQYBLJ-DHNHEELESA-N 0 0 170.296 2.997 10 0 AFAERN CSCC[C@@H](O)CCC(C)(C)C 83505742 572327666 /nfs/dbraw/zinc/32/76/66/572327666.db2.gz VJIRWZSARJICGS-VIFPVBQESA-N 0 0 190.352 2.927 10 0 AFAERN CC[C@H](C)[C@H]1CCC[C@H](O)C1 59787736 572327731 /nfs/dbraw/zinc/32/77/31/572327731.db2.gz LAWZLECFBHTKKI-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H]1CCCC[C@H](O)C1 59787706 572327734 /nfs/dbraw/zinc/32/77/34/572327734.db2.gz OGIHDLRCEMRCPO-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CCC(O)(CC)Cc1cccs1 83503320 572327735 /nfs/dbraw/zinc/32/77/35/572327735.db2.gz DLFYXVJIDSESJP-UHFFFAOYSA-N 0 0 184.304 2.842 10 0 AFAERN CCOC(=S)c1cccc(C)c1 196329501 572327741 /nfs/dbraw/zinc/32/77/41/572327741.db2.gz LKTWGIIIVOSLTM-UHFFFAOYSA-N 0 0 180.272 2.707 10 0 AFAERN CC[C@](C)(O)CCc1cccs1 83503287 572327758 /nfs/dbraw/zinc/32/77/58/572327758.db2.gz HSWQOFORPFKKEH-JTQLQIEISA-N 0 0 184.304 2.842 10 0 AFAERN CCCC[C@@H]1CCCC[C@@H]1CO 196334407 572327781 /nfs/dbraw/zinc/32/77/81/572327781.db2.gz QKGPYUJMGAZCCC-GHMZBOCLSA-N 0 0 170.296 2.975 10 0 AFAERN CCC[C@H](C)C[C@H](O)CCSC 83505803 572327784 /nfs/dbraw/zinc/32/77/84/572327784.db2.gz QJAHPURNHKBTPI-VHSXEESVSA-N 0 0 190.352 2.927 10 0 AFAERN CC(C)/C(=C\[C@H](C)O)[Si](C)(C)C 307974913 572327793 /nfs/dbraw/zinc/32/77/93/572327793.db2.gz DYPUDSLPHNUNME-HZAKCSEPSA-N 0 0 186.371 2.827 10 0 AFAERN CC(C)[C@@H]1CCCC[C@@H](O)C1 59787751 572328611 /nfs/dbraw/zinc/32/86/11/572328611.db2.gz FUMIFEJNURFMQM-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CCCCCCOC/C=C/CCO 238193906 572327833 /nfs/dbraw/zinc/32/78/33/572327833.db2.gz FLNFJFZKWGNYIT-VMPITWQZSA-N 0 0 186.295 2.522 10 0 AFAERN CCCC[C@H]1CCCC[C@@H]1CO 196334416 572327862 /nfs/dbraw/zinc/32/78/62/572327862.db2.gz QKGPYUJMGAZCCC-WDEREUQCSA-N 0 0 170.296 2.975 10 0 AFAERN CCC(C)(C)COc1cccnc1 713239375 572327939 /nfs/dbraw/zinc/32/79/39/572327939.db2.gz ITWRMYSXNFPBKQ-UHFFFAOYSA-N 0 0 179.263 2.897 10 0 AFAERN CCC(C)(C)c1ccc(CCO)cc1 238196091 572327994 /nfs/dbraw/zinc/32/79/94/572327994.db2.gz BAJUNVMYQPZBKC-UHFFFAOYSA-N 0 0 192.302 2.909 10 0 AFAERN OCCC1CCC=CC=CCC1 307976771 572328034 /nfs/dbraw/zinc/32/80/34/572328034.db2.gz IUEWQXOSLJUVGH-UHFFFAOYSA-N 0 0 166.264 2.671 10 0 AFAERN CC[C@H](C)[C@@H]1CCC[C@H](O)C1 59787729 572328084 /nfs/dbraw/zinc/32/80/84/572328084.db2.gz LAWZLECFBHTKKI-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN CCC(C)(C)CC1(CO)CC1 713239196 572328222 /nfs/dbraw/zinc/32/82/22/572328222.db2.gz ALXLVRLQSMKFGJ-UHFFFAOYSA-N 0 0 156.269 2.585 10 0 AFAERN CC(C)C(C)(C)Cn1ccc(=O)cc1 713237472 572328698 /nfs/dbraw/zinc/32/86/98/572328698.db2.gz ZEWCHVSKAPIOLO-UHFFFAOYSA-N 0 0 193.290 2.531 10 0 AFAERN CCCCCC[C@@](O)(CC)COC 83506669 572328391 /nfs/dbraw/zinc/32/83/91/572328391.db2.gz QMTMYDPSIDPVRM-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCC(=O)CCNc1cccc(C)c1 238197057 572328393 /nfs/dbraw/zinc/32/83/93/572328393.db2.gz YJUDPJABZOFNHH-UHFFFAOYSA-N 0 0 191.274 2.776 10 0 AFAERN CC(C)[C@H]1CCCC[C@@H](O)C1 59787754 572328469 /nfs/dbraw/zinc/32/84/69/572328469.db2.gz FUMIFEJNURFMQM-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@H]1CCCC[C@H](O)C1 59787708 572328546 /nfs/dbraw/zinc/32/85/46/572328546.db2.gz OGIHDLRCEMRCPO-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@H](O)CCC[C@]12CC[C@@]1(C)C2 307979424 572328565 /nfs/dbraw/zinc/32/85/65/572328565.db2.gz MLNOLYGSWOHSRA-GARJFASQSA-N 0 0 168.280 2.728 10 0 AFAERN CCC(C)(C)Cn1cc(C)nc1C 713239361 572328587 /nfs/dbraw/zinc/32/85/87/572328587.db2.gz ISUFGNAMOLOZLW-UHFFFAOYSA-N 0 0 180.295 2.936 10 0 AFAERN C=C=C(CO)CCCCCC 238198036 572328599 /nfs/dbraw/zinc/32/85/99/572328599.db2.gz PXVJFRQYCDYNFP-UHFFFAOYSA-N 0 0 154.253 2.660 10 0 AFAERN CCC(=O)CCNc1ccc(C)cc1 238197027 572328616 /nfs/dbraw/zinc/32/86/16/572328616.db2.gz CZMRDQBHWHMJHL-UHFFFAOYSA-N 0 0 191.274 2.776 10 0 AFAERN C=C/C=C/CC[C@@]1(O)CCCSC1 713674074 572328627 /nfs/dbraw/zinc/32/86/27/572328627.db2.gz OUFGYWQWTNNJDM-PGLGOXFNSA-N 0 0 198.331 2.767 10 0 AFAERN CCOCCCNc1ccc(F)cc1 83550499 572328712 /nfs/dbraw/zinc/32/87/12/572328712.db2.gz OMEXSHCJRSBFFU-UHFFFAOYSA-N 0 0 197.253 2.664 10 0 AFAERN CCC(=O)CCCc1ccccc1O 238196890 572328890 /nfs/dbraw/zinc/32/88/90/572328890.db2.gz CZLFHIVOIRWKQT-UHFFFAOYSA-N 0 0 192.258 2.694 10 0 AFAERN CC[C@@H](C)C[C@@](O)(CC)C1CC1 83507457 572328930 /nfs/dbraw/zinc/32/89/30/572328930.db2.gz ILNUGAZFAPTKFS-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CON=C(C)c1csc(Cl)c1 393666900 572329030 /nfs/dbraw/zinc/32/90/30/572329030.db2.gz GIMXBADHGROZNB-UHFFFAOYSA-N 0 0 189.667 2.772 10 0 AFAERN CC[C@H](C)C[C@@](O)(CC)C1CC1 83507458 572329126 /nfs/dbraw/zinc/32/91/26/572329126.db2.gz ILNUGAZFAPTKFS-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@](O)(CCC(C)C)C1CC1 83507443 572329164 /nfs/dbraw/zinc/32/91/64/572329164.db2.gz PVBWWWJRAZGWAW-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](C)C[C@](O)(CC)COC 83506720 572329200 /nfs/dbraw/zinc/32/92/00/572329200.db2.gz VCPDCZMECOJKNX-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCOC(=O)C[C@@H]1CC2CCC1CC2 59877276 572329202 /nfs/dbraw/zinc/32/92/02/572329202.db2.gz GWPIPJHRQJNHBZ-ILDUYXDCSA-N 0 0 196.290 2.766 10 0 AFAERN CC[C@](O)(Cc1ccsc1)C1CC1 83507442 572329237 /nfs/dbraw/zinc/32/92/37/572329237.db2.gz GMZWMCKMRSFOLK-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN O=C1C[C@@H](c2ccccc2)c2cc[nH]c21 238628593 572329238 /nfs/dbraw/zinc/32/92/38/572329238.db2.gz TWZVZMXDLJWGJS-NSHDSACASA-N 0 0 197.237 2.733 10 0 AFAERN COCCCC1=C[C@@H](O)CC(C)(C)C1 83547173 572329413 /nfs/dbraw/zinc/32/94/13/572329413.db2.gz GZYPIGLEWGBMOM-LLVKDONJSA-N 0 0 198.306 2.520 10 0 AFAERN CCCC[C@](O)(CC)C1CC1 83507408 572329470 /nfs/dbraw/zinc/32/94/70/572329470.db2.gz VKDBQVJLQKTMJC-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@](O)(CCC(C)(C)C)COC 83506665 572329492 /nfs/dbraw/zinc/32/94/92/572329492.db2.gz UDQGCWSQIBOKBU-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN COCCCC1=C[C@H](O)CC(C)(C)C1 83547175 572329537 /nfs/dbraw/zinc/32/95/37/572329537.db2.gz GZYPIGLEWGBMOM-NSHDSACASA-N 0 0 198.306 2.520 10 0 AFAERN CCC[C@@H](C)C[C@](O)(CC)COC 83506719 572329585 /nfs/dbraw/zinc/32/95/85/572329585.db2.gz VCPDCZMECOJKNX-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CCOCCCNc1ccccc1C 83550571 572329656 /nfs/dbraw/zinc/32/96/56/572329656.db2.gz LKHKNLKKEPTQDI-UHFFFAOYSA-N 0 0 193.290 2.834 10 0 AFAERN CCc1nc(C)cn1CC(C)(C)C 713239513 572330636 /nfs/dbraw/zinc/33/06/36/572330636.db2.gz JVCAXAMXYKGYIA-UHFFFAOYSA-N 0 0 180.295 2.800 10 0 AFAERN CC[C@](O)(Cc1cccs1)C1CC1 83507432 572329838 /nfs/dbraw/zinc/32/98/38/572329838.db2.gz YKMFYNOWYQTUHL-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@@H](C)C[C@@](O)(CC)COC 83506717 572329908 /nfs/dbraw/zinc/32/99/08/572329908.db2.gz VCPDCZMECOJKNX-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN OC/C=C(/Cc1ccccc1)C1CC1 238628126 572330090 /nfs/dbraw/zinc/33/00/90/572330090.db2.gz HKIVIRQJKCXFRQ-JYRVWZFOSA-N 0 0 188.270 2.558 10 0 AFAERN CC[C@@](O)(Cc1ccsc1)C1CC1 83507441 572330146 /nfs/dbraw/zinc/33/01/46/572330146.db2.gz GMZWMCKMRSFOLK-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@@H](C)CC1=C[C@H](O)CC1 83548585 572330268 /nfs/dbraw/zinc/33/02/68/572330268.db2.gz AEEWYAXZGNJFBQ-MWLCHTKSSA-N 0 0 168.280 2.894 10 0 AFAERN CCCSCC1(O)CCCCC1 83586131 572330285 /nfs/dbraw/zinc/33/02/85/572330285.db2.gz FZCJZTHUFLOZRO-UHFFFAOYSA-N 0 0 188.336 2.825 10 0 AFAERN CC[C@H](O)CC[C@@]1(C)CC1(F)F 689619668 572330312 /nfs/dbraw/zinc/33/03/12/572330312.db2.gz VOQMGUQAGLLKQQ-YUMQZZPRSA-N 0 0 178.222 2.583 10 0 AFAERN CCCC(=O)Cc1nc(C)c(C)s1 83533294 572330325 /nfs/dbraw/zinc/33/03/25/572330325.db2.gz HOEGJBLZWVEUNB-UHFFFAOYSA-N 0 0 197.303 2.672 10 0 AFAERN Cc1cccc(OCOCC2CC2)c1 235910375 572330339 /nfs/dbraw/zinc/33/03/39/572330339.db2.gz FJZJXNKLNMSYET-UHFFFAOYSA-N 0 0 192.258 2.758 10 0 AFAERN CCC[C@H](C)C[C@@](O)(CC)COC 83506718 572330346 /nfs/dbraw/zinc/33/03/46/572330346.db2.gz VCPDCZMECOJKNX-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@](O)(Cc1cccs1)C1CC1 83507431 572330499 /nfs/dbraw/zinc/33/04/99/572330499.db2.gz YKMFYNOWYQTUHL-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN CCOCCCCCC(=O)C1CC1 83553387 572333078 /nfs/dbraw/zinc/33/30/78/572333078.db2.gz SQPUYQPWZGCGQQ-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCCC1=C[C@]1(CO)c1ccccc1 238202534 572330726 /nfs/dbraw/zinc/33/07/26/572330726.db2.gz FWEOTOAXPPGZGJ-ZDUSSCGKSA-N 0 0 188.270 2.657 10 0 AFAERN CCC[C@H](C)CC1=C[C@@H](O)CC1 83548590 572330786 /nfs/dbraw/zinc/33/07/86/572330786.db2.gz AEEWYAXZGNJFBQ-ONGXEEELSA-N 0 0 168.280 2.894 10 0 AFAERN CCCC[C@@](O)(CC)C1CC1 83507407 572330792 /nfs/dbraw/zinc/33/07/92/572330792.db2.gz VKDBQVJLQKTMJC-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@H](C)C[C@](O)(CC)C1CC1 83507460 572330836 /nfs/dbraw/zinc/33/08/36/572330836.db2.gz ILNUGAZFAPTKFS-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@](O)(CCC(C)C)C1CC1 83507444 572330866 /nfs/dbraw/zinc/33/08/66/572330866.db2.gz PVBWWWJRAZGWAW-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CCOCCCNc1cccc(F)c1 83550481 572330870 /nfs/dbraw/zinc/33/08/70/572330870.db2.gz DRYHUFJPMANWJL-UHFFFAOYSA-N 0 0 197.253 2.664 10 0 AFAERN CCOCCCNc1ccc(C)cc1 83550561 572330964 /nfs/dbraw/zinc/33/09/64/572330964.db2.gz QUAXOONQFKRZOQ-UHFFFAOYSA-N 0 0 193.290 2.834 10 0 AFAERN CCC[C@@H](C)CC1=C[C@@H](O)CC1 83548588 572330989 /nfs/dbraw/zinc/33/09/89/572330989.db2.gz AEEWYAXZGNJFBQ-KOLCDFICSA-N 0 0 168.280 2.894 10 0 AFAERN CON(C/C=C\Cl)CCC(C)C 307979136 572330997 /nfs/dbraw/zinc/33/09/97/572330997.db2.gz NOWVMIHAWRGCCL-XQRVVYSFSA-N 0 0 191.702 2.648 10 0 AFAERN CC[C@@H]([NH2+]CC(F)F)C(C)(C)C 307979257 572333090 /nfs/dbraw/zinc/33/30/90/572333090.db2.gz NSZKPPNRQWGMDF-SSDOTTSWSA-N 0 0 179.254 2.666 10 0 AFAERN CCC(=O)C[C@H](O)CCC1CCCC1 238202362 572331045 /nfs/dbraw/zinc/33/10/45/572331045.db2.gz VPERCNQOMATPMI-GFCCVEGCSA-N 0 0 198.306 2.687 10 0 AFAERN CCOCCC[C@H]1C[C@H](C)CCC1=O 83551934 572333094 /nfs/dbraw/zinc/33/30/94/572333094.db2.gz RGLBDDYXPCZKDY-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CCOCCCC(C)(C)CC(C)=O 83553394 572331266 /nfs/dbraw/zinc/33/12/66/572331266.db2.gz JDUVMJHOVFRSPO-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCC(=O)C[C@H](O)CC1CCCCC1 238202347 572331362 /nfs/dbraw/zinc/33/13/62/572331362.db2.gz OXUDJJGHPQQPKD-GFCCVEGCSA-N 0 0 198.306 2.687 10 0 AFAERN CCOCCC[C@@H]1C[C@@H](C)CCC1=O 83551936 572331399 /nfs/dbraw/zinc/33/13/99/572331399.db2.gz RGLBDDYXPCZKDY-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN OC/C=C(/CF)CCc1ccccc1 238627930 572331409 /nfs/dbraw/zinc/33/14/09/572331409.db2.gz PQFAYXJBAZLOKP-XYOKQWHBSA-N 0 0 194.249 2.507 10 0 AFAERN CCOCCC[C@H](C(C)=O)C(C)C 83551966 572331423 /nfs/dbraw/zinc/33/14/23/572331423.db2.gz CZXGHKMMBACXSJ-NSHDSACASA-N 0 0 186.295 2.664 10 0 AFAERN CCOCCCCC[C@@H](O)C(C)C 83553577 572331774 /nfs/dbraw/zinc/33/17/74/572331774.db2.gz UWNFRXPARCJSMD-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CCOCCC[C@@H](C(C)=O)C(C)C 83551968 572331873 /nfs/dbraw/zinc/33/18/73/572331873.db2.gz CZXGHKMMBACXSJ-LLVKDONJSA-N 0 0 186.295 2.664 10 0 AFAERN CCOCCC[C@@H]1C[C@H](C)CCC1=O 83551932 572331892 /nfs/dbraw/zinc/33/18/92/572331892.db2.gz RGLBDDYXPCZKDY-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H](O)CC[C@]1(C)CC1(F)F 689619654 572331893 /nfs/dbraw/zinc/33/18/93/572331893.db2.gz VOQMGUQAGLLKQQ-HTQZYQBOSA-N 0 0 178.222 2.583 10 0 AFAERN CCC[C@@H](C)c1cnc([C@H](C)N)o1 83554637 572331927 /nfs/dbraw/zinc/33/19/27/572331927.db2.gz NYUITSIOSTUGRG-SFYZADRCSA-N 0 0 182.267 2.598 10 0 AFAERN C/C(=C\CCc1ccsc1)CO 307979389 572333156 /nfs/dbraw/zinc/33/31/56/572333156.db2.gz MGUGMDUIGRUFSD-YCRREMRBSA-N 0 0 182.288 2.619 10 0 AFAERN O=CNc1cc2c3c(cccc3c1)CC2 238634459 572332136 /nfs/dbraw/zinc/33/21/36/572332136.db2.gz ZWDWJVSXZWMVSM-UHFFFAOYSA-N 0 0 197.237 2.507 10 0 AFAERN CCCC(=O)CCCCCOCC 83553385 572332139 /nfs/dbraw/zinc/33/21/39/572332139.db2.gz RNENLWYPOVWJHB-UHFFFAOYSA-N 0 0 186.295 2.953 10 0 AFAERN CCC(CC)(C(N)=O)C1=CCCCC1 238202473 572332283 /nfs/dbraw/zinc/33/22/83/572332283.db2.gz HQAZRQUVKZUWHF-UHFFFAOYSA-N 0 0 195.306 2.779 10 0 AFAERN CCOCCC[C@H]1CCCCC(=O)C1 83553391 572332334 /nfs/dbraw/zinc/33/23/34/572332334.db2.gz YWJJHUVQTRBKLP-LLVKDONJSA-N 0 0 198.306 2.953 10 0 AFAERN CC[C@H](O)CC[C@]1(C)CC1(F)F 689619658 572332382 /nfs/dbraw/zinc/33/23/82/572332382.db2.gz VOQMGUQAGLLKQQ-JGVFFNPUSA-N 0 0 178.222 2.583 10 0 AFAERN CCC[C@H](O)CCCCCOCC 83553568 572332399 /nfs/dbraw/zinc/33/23/99/572332399.db2.gz XPOFOZNIRWQEJT-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)O[C@H](CCO)c1ccccc1 238203050 572332423 /nfs/dbraw/zinc/33/24/23/572332423.db2.gz ZBPOWDHYFMANRO-GFCCVEGCSA-N 0 0 194.274 2.535 10 0 AFAERN CCOCCC[C@H]1CCCCCC1=O 83551930 572332429 /nfs/dbraw/zinc/33/24/29/572332429.db2.gz TTWSZERXIUYUMT-LLVKDONJSA-N 0 0 198.306 2.953 10 0 AFAERN CC(C)O[C@H](C)[C@@H](O)c1ccccc1 238202856 572332460 /nfs/dbraw/zinc/33/24/60/572332460.db2.gz SQVWNJPKGOZJAK-ZYHUDNBSSA-N 0 0 194.274 2.534 10 0 AFAERN CCC[C@H](C)c1cnc([C@H](C)N)o1 83554638 572332476 /nfs/dbraw/zinc/33/24/76/572332476.db2.gz NYUITSIOSTUGRG-YUMQZZPRSA-N 0 0 182.267 2.598 10 0 AFAERN CCOCCC[C@H]1CCCC(=O)C1 83553380 572332502 /nfs/dbraw/zinc/33/25/02/572332502.db2.gz GPQDVFHPHRLCOB-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CCC[C@@H](O)CCCCCOCC 83553569 572332510 /nfs/dbraw/zinc/33/25/10/572332510.db2.gz XPOFOZNIRWQEJT-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CCC[C@@H](C)c1cnc([C@@H](C)N)o1 83554635 572332609 /nfs/dbraw/zinc/33/26/09/572332609.db2.gz NYUITSIOSTUGRG-HTQZYQBOSA-N 0 0 182.267 2.598 10 0 AFAERN CCOCCC[C@@H]1CCCCCC1=O 83551929 572332861 /nfs/dbraw/zinc/33/28/61/572332861.db2.gz TTWSZERXIUYUMT-NSHDSACASA-N 0 0 198.306 2.953 10 0 AFAERN CCCC1=C[C@@]1(CO)c1ccccc1 238202299 572332877 /nfs/dbraw/zinc/33/28/77/572332877.db2.gz FWEOTOAXPPGZGJ-CYBMUJFWSA-N 0 0 188.270 2.657 10 0 AFAERN CCOCCCC(C)(C)C[C@H](C)O 83553591 572332905 /nfs/dbraw/zinc/33/29/05/572332905.db2.gz WLAJBJINFJFHHS-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN CCOCCC[C@H]1CCCCC1=O 83551922 572332973 /nfs/dbraw/zinc/33/29/73/572332973.db2.gz CLNLCJZBHVSSBR-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN O=C(CCCC1CC1)CC1CC1 238632427 572332717 /nfs/dbraw/zinc/33/27/17/572332717.db2.gz MYJWLHXBKBFVPD-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CCOCCCCCC(=O)CC 83553384 572332983 /nfs/dbraw/zinc/33/29/83/572332983.db2.gz UBSVGASTXGTKGC-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN CCOCCC[C@H]1C[C@@H](C)CCC1=O 83551937 572333201 /nfs/dbraw/zinc/33/32/01/572333201.db2.gz RGLBDDYXPCZKDY-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@H]([NH2+]CC(F)F)C(C)(C)C 307979258 572333208 /nfs/dbraw/zinc/33/32/08/572333208.db2.gz NSZKPPNRQWGMDF-ZETCQYMHSA-N 0 0 179.254 2.666 10 0 AFAERN CC[C@@H](O)CC[C@@]1(C)CC1(F)F 689619662 572333305 /nfs/dbraw/zinc/33/33/05/572333305.db2.gz VOQMGUQAGLLKQQ-SFYZADRCSA-N 0 0 178.222 2.583 10 0 AFAERN CCOCCCC(C)(C)C[C@@H](C)O 83553590 572333553 /nfs/dbraw/zinc/33/35/53/572333553.db2.gz WLAJBJINFJFHHS-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CCOCCCCC[C@H](O)C(C)C 83553576 572333555 /nfs/dbraw/zinc/33/35/55/572333555.db2.gz UWNFRXPARCJSMD-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN COc1ccccc1C(C)(F)F 196476188 572333579 /nfs/dbraw/zinc/33/35/79/572333579.db2.gz ASHSSLGSWHHEQK-UHFFFAOYSA-N 0 0 172.174 2.807 10 0 AFAERN CCOCCC[C@@H]1CCCCC1=O 83551921 572333596 /nfs/dbraw/zinc/33/35/96/572333596.db2.gz CLNLCJZBHVSSBR-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN CCOCCC[C@@H]1CCCCC(=O)C1 83553390 572333606 /nfs/dbraw/zinc/33/36/06/572333606.db2.gz YWJJHUVQTRBKLP-NSHDSACASA-N 0 0 198.306 2.953 10 0 AFAERN CCOCCCCCC(=O)C(C)C 83553386 572333706 /nfs/dbraw/zinc/33/37/06/572333706.db2.gz UISVXAMMRMKNJH-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCOCCC[C@@H]1CCCC(=O)C1 83553379 572333712 /nfs/dbraw/zinc/33/37/12/572333712.db2.gz GPQDVFHPHRLCOB-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN CCC(CC)(CC)O[C@@H](C)[C@H](C)O 238205482 572333732 /nfs/dbraw/zinc/33/37/32/572333732.db2.gz SKLUVCWATAMUPA-UWVGGRQHSA-N 0 0 188.311 2.741 10 0 AFAERN CC(C)[C@@H](C)[C@@H](C(N)=O)C1CCCC1 238205598 572333771 /nfs/dbraw/zinc/33/37/71/572333771.db2.gz QYCXFYKWTUTGDG-MWLCHTKSSA-N 0 0 197.322 2.570 10 0 AFAERN CCC(CC)(CC)O[C@@H](C)[C@@H](C)O 238205462 572333856 /nfs/dbraw/zinc/33/38/56/572333856.db2.gz SKLUVCWATAMUPA-ZJUUUORDSA-N 0 0 188.311 2.741 10 0 AFAERN CCOC(CC1CCC1)OCC 196432502 572333968 /nfs/dbraw/zinc/33/39/68/572333968.db2.gz YLWFLJWHGAKLMV-UHFFFAOYSA-N 0 0 172.268 2.576 10 0 AFAERN C[C@H](O)c1csc(=S)s1 196743338 572333975 /nfs/dbraw/zinc/33/39/75/572333975.db2.gz KQHYIIRTFCLTST-VKHMYHEASA-N 0 0 178.303 2.592 10 0 AFAERN CCC(CC)(CC)OCCCCO 238205381 572334078 /nfs/dbraw/zinc/33/40/78/572334078.db2.gz JOQGZXAEXZSYAF-UHFFFAOYSA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)CCNc1cc(F)ccc1N 52119186 572334237 /nfs/dbraw/zinc/33/42/37/572334237.db2.gz IFGDTLKDUWHXFZ-UHFFFAOYSA-N 0 0 196.269 2.866 10 0 AFAERN OC/C=C/Cc1cccc2ccccc12 238632785 572334246 /nfs/dbraw/zinc/33/42/46/572334246.db2.gz YIGVCMYCLWVCNC-ONEGZZNKSA-N 0 0 198.265 2.931 10 0 AFAERN C/C=C\CC1(CO)CCCCC1 307979386 572334256 /nfs/dbraw/zinc/33/42/56/572334256.db2.gz MGKWZPQKSDSQGG-IHWYPQMZSA-N 0 0 168.280 2.895 10 0 AFAERN CC(C)CCc1noc(C(C)C)n1 349602572 572334267 /nfs/dbraw/zinc/33/42/67/572334267.db2.gz COFMZCNGUZWDBE-UHFFFAOYSA-N 0 0 182.267 2.782 10 0 AFAERN Nc1cc2c(c3ccccc13)NCCC2 238623834 572334425 /nfs/dbraw/zinc/33/44/25/572334425.db2.gz GFJBVFRJMJPIMN-UHFFFAOYSA-N 0 0 198.269 2.780 10 0 AFAERN CCCCCC[C@@H](CCO)OCC 238205218 572334427 /nfs/dbraw/zinc/33/44/27/572334427.db2.gz ALEBGBULHACTMN-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCCC[C@H]1CCC[C@@H]1C(=O)OC 196418703 572334505 /nfs/dbraw/zinc/33/45/05/572334505.db2.gz RWPCBZNZCVIVRQ-UWVGGRQHSA-N 0 0 184.279 2.766 10 0 AFAERN CCCCNc1cc(F)ccc1N 52119168 572334526 /nfs/dbraw/zinc/33/45/26/572334526.db2.gz FJKBCCSFWYTPOJ-UHFFFAOYSA-N 0 0 182.242 2.620 10 0 AFAERN CC(C)[C@@H](C)[C@H](C(N)=O)C1CCCC1 238205169 572334554 /nfs/dbraw/zinc/33/45/54/572334554.db2.gz QYCXFYKWTUTGDG-KOLCDFICSA-N 0 0 197.322 2.570 10 0 AFAERN CCC(O)(CC)c1ccc(C=O)cc1 238208060 572337510 /nfs/dbraw/zinc/33/75/10/572337510.db2.gz CFXYFTMRKNQMCI-UHFFFAOYSA-N 0 0 192.258 2.507 10 0 AFAERN CCC(C)(C)Oc1cc(F)ccc1N 52122294 572334590 /nfs/dbraw/zinc/33/45/90/572334590.db2.gz KTUWBYUVEUZMMH-UHFFFAOYSA-N 0 0 197.253 2.975 10 0 AFAERN CC(F)(F)CCCCCCO 238205881 572334707 /nfs/dbraw/zinc/33/47/07/572334707.db2.gz ILPCVHCUYKVPQQ-UHFFFAOYSA-N 0 0 166.211 2.584 10 0 AFAERN CCC(CC)(CC)O[C@H](C)[C@H](C)O 238205515 572334777 /nfs/dbraw/zinc/33/47/77/572334777.db2.gz SKLUVCWATAMUPA-VHSXEESVSA-N 0 0 188.311 2.741 10 0 AFAERN Nc1cc2c(c3cccnc13)CCCC2 238623655 572334788 /nfs/dbraw/zinc/33/47/88/572334788.db2.gz SWZAZVSLLNVYEA-UHFFFAOYSA-N 0 0 198.269 2.696 10 0 AFAERN CC1(C)C[C@H]1Nc1cc(F)ccc1N 52122100 572334792 /nfs/dbraw/zinc/33/47/92/572334792.db2.gz FUEICNUREIEQGX-SNVBAGLBSA-N 0 0 194.253 2.618 10 0 AFAERN CCC(CC)(CC)O[C@H](C)[C@@H](C)O 238205502 572334849 /nfs/dbraw/zinc/33/48/49/572334849.db2.gz SKLUVCWATAMUPA-NXEZZACHSA-N 0 0 188.311 2.741 10 0 AFAERN CCCCN(C)c1cc(F)ccc1N 52118907 572334851 /nfs/dbraw/zinc/33/48/51/572334851.db2.gz AXSNJIZDCIPVRK-UHFFFAOYSA-N 0 0 196.269 2.644 10 0 AFAERN Nc1cc2c(cc1F)-c1ccccc1C2 238641125 572334957 /nfs/dbraw/zinc/33/49/57/572334957.db2.gz JTBXSLWFMLKHJC-UHFFFAOYSA-N 0 0 199.228 2.979 10 0 AFAERN O=CNc1ccc2cccc3c2c1CC3 238634636 572335133 /nfs/dbraw/zinc/33/51/33/572335133.db2.gz VFJHQGJYWNCQMI-UHFFFAOYSA-N 0 0 197.237 2.507 10 0 AFAERN CC1=C(CCCCC(N)=O)CCCC1 238208423 572335420 /nfs/dbraw/zinc/33/54/20/572335420.db2.gz MMZLMBOLRFZZFF-UHFFFAOYSA-N 0 0 195.306 2.923 10 0 AFAERN Nc1ccccc1[C@H](F)C(F)F 60128937 572335501 /nfs/dbraw/zinc/33/55/01/572335501.db2.gz IGXMCDXUXRLJFF-ZETCQYMHSA-N 0 0 175.153 2.545 10 0 AFAERN C=C=C(CCCCO)C(C)C 238208335 572335690 /nfs/dbraw/zinc/33/56/90/572335690.db2.gz YTLPWGVQRUYLKA-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN CCCCC[C@@]1(O)CS[C@@H](C)C1 86939011 572335752 /nfs/dbraw/zinc/33/57/52/572335752.db2.gz KAAJOPSLNPESHB-UWVGGRQHSA-N 0 0 188.336 2.823 10 0 AFAERN CCCCC[C@@H]1C=C[C@@H](O)CC1 196587808 572335787 /nfs/dbraw/zinc/33/57/87/572335787.db2.gz GKYGCPPTSBHIRE-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)C(C(C)C)n1cc(C=O)cn1 238206000 572335822 /nfs/dbraw/zinc/33/58/22/572335822.db2.gz JHQIWRURUHCZKH-UHFFFAOYSA-N 0 0 194.278 2.549 10 0 AFAERN CCCC[C@@H](CC)[C@@H](F)CO 238208457 572335900 /nfs/dbraw/zinc/33/59/00/572335900.db2.gz NVMDGVVTOOPXSJ-BDAKNGLRSA-N 0 0 162.248 2.533 10 0 AFAERN CCCC[C@H](CC)[C@H](F)CO 238208206 572335967 /nfs/dbraw/zinc/33/59/67/572335967.db2.gz NVMDGVVTOOPXSJ-DTWKUNHWSA-N 0 0 162.248 2.533 10 0 AFAERN CCCCC[C@]1(O)CS[C@@H](C)C1 86939013 572335991 /nfs/dbraw/zinc/33/59/91/572335991.db2.gz KAAJOPSLNPESHB-VHSXEESVSA-N 0 0 188.336 2.823 10 0 AFAERN C=C/C=C\CC[C@@H](O)c1cncs1 713683314 572336002 /nfs/dbraw/zinc/33/60/02/572336002.db2.gz KCPNSNZJGFCIRI-ZBJFTSOASA-N 0 0 195.287 2.699 10 0 AFAERN C=C=C[C@H](O)[C@@H](CC)CCCC 238207356 572336044 /nfs/dbraw/zinc/33/60/44/572336044.db2.gz HJKMOOLSXULCJF-QWRGUYRKSA-N 0 0 168.280 2.905 10 0 AFAERN CCCCCC[C@]1(O)CCSC1 86938013 572336781 /nfs/dbraw/zinc/33/67/81/572336781.db2.gz AIMNQHHSBRNHOK-JTQLQIEISA-N 0 0 188.336 2.825 10 0 AFAERN CCC/C=C\C[C@@H]1CC[C@@H](O)C1 307981339 572336174 /nfs/dbraw/zinc/33/61/74/572336174.db2.gz OLYYHPRREMYSRH-WQMVXFAESA-N 0 0 168.280 2.894 10 0 AFAERN C=C/C=C/CC[C@@H](O)c1nccs1 713682688 572336215 /nfs/dbraw/zinc/33/62/15/572336215.db2.gz JFKJPBKWAOEQSP-CDAZIORVSA-N 0 0 195.287 2.699 10 0 AFAERN CCC[C@H](C)C[C@@]1(O)CCSC1 86938288 572336275 /nfs/dbraw/zinc/33/62/75/572336275.db2.gz NFMVOSKYGKWAKK-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN C=C/C=C/CC[C@@H](O)c1ccncc1 713680527 572336291 /nfs/dbraw/zinc/33/62/91/572336291.db2.gz DSFUBJYGNZREGU-AAOUONPWSA-N 0 0 189.258 2.637 10 0 AFAERN CCCC[C@@H](CC)Cn1nccc1N 238207867 572336336 /nfs/dbraw/zinc/33/63/36/572336336.db2.gz BAHCHCHXNGAYMY-SNVBAGLBSA-N 0 0 195.310 2.682 10 0 AFAERN CCCCCC[C@@H](CO)CCOC 238206586 572336353 /nfs/dbraw/zinc/33/63/53/572336353.db2.gz RVRAVLSXRRJGHQ-LLVKDONJSA-N 0 0 188.311 2.602 10 0 AFAERN C=C/C=C/CC[C@H](O)c1ccncc1 713680529 572336378 /nfs/dbraw/zinc/33/63/78/572336378.db2.gz DSFUBJYGNZREGU-PCAWENJQSA-N 0 0 189.258 2.637 10 0 AFAERN CCC[C@H](C)C[C@]1(O)CCSC1 86938286 572336423 /nfs/dbraw/zinc/33/64/23/572336423.db2.gz NFMVOSKYGKWAKK-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CCC[C@@H]1C[C@H]1c1nc(CC)no1 349737718 572336575 /nfs/dbraw/zinc/33/65/75/572336575.db2.gz KCONWSYEGXOARV-HTQZYQBOSA-N 0 0 180.251 2.536 10 0 AFAERN CCCCC[C@@H](CCO)CCOC 238209301 572336934 /nfs/dbraw/zinc/33/69/34/572336934.db2.gz ZZSYWTQMZKQFJD-NSHDSACASA-N 0 0 188.311 2.602 10 0 AFAERN O[C@H]1CCCc2c1ccn2C1CCC1 52213941 572336700 /nfs/dbraw/zinc/33/67/00/572336700.db2.gz SIUIROZFSPXTFI-LBPRGKRZSA-N 0 0 191.274 2.583 10 0 AFAERN CCC/C=C\C[C@@H]1CCC[C@H]1O 307981333 572336786 /nfs/dbraw/zinc/33/67/86/572336786.db2.gz OLPVLAJYJZWXPZ-WQMVXFAESA-N 0 0 168.280 2.894 10 0 AFAERN CCCCC[C@@]1(O)CS[C@H](C)C1 86939015 572336826 /nfs/dbraw/zinc/33/68/26/572336826.db2.gz KAAJOPSLNPESHB-ZJUUUORDSA-N 0 0 188.336 2.823 10 0 AFAERN C=C/C=C\CC[C@H](O)c1nccs1 713682691 572336829 /nfs/dbraw/zinc/33/68/29/572336829.db2.gz JFKJPBKWAOEQSP-TYRPZCRBSA-N 0 0 195.287 2.699 10 0 AFAERN CCCCC[C@@H](CC)c1nnc(N)o1 238208350 572336835 /nfs/dbraw/zinc/33/68/35/572336835.db2.gz WYAOVAMEIFVYNH-MRVPVSSYSA-N 0 0 197.282 2.726 10 0 AFAERN CCCCn1cc(OC2CCC2)cn1 238207389 572336838 /nfs/dbraw/zinc/33/68/38/572336838.db2.gz FIAHWKKAEOSNLI-UHFFFAOYSA-N 0 0 194.278 2.615 10 0 AFAERN CC(=O)[C@@]1(C)CCC[C@@H](C)C1 60142528 572336841 /nfs/dbraw/zinc/33/68/41/572336841.db2.gz JPSBSFKILAMOKF-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCC[C@]1(O)CS[C@H](C)C1 86939017 572338155 /nfs/dbraw/zinc/33/81/55/572338155.db2.gz KAAJOPSLNPESHB-NXEZZACHSA-N 0 0 188.336 2.823 10 0 AFAERN CCSc1ccc(C(=N)OC)cc1 77295876 572336990 /nfs/dbraw/zinc/33/69/90/572336990.db2.gz SQDDMASTHXLFHY-UHFFFAOYSA-N 0 0 195.287 2.770 10 0 AFAERN C=C/C=C/CC[C@@H](O)c1cncs1 713683304 572337015 /nfs/dbraw/zinc/33/70/15/572337015.db2.gz KCPNSNZJGFCIRI-CDAZIORVSA-N 0 0 195.287 2.699 10 0 AFAERN C[C@H](O)C/C=C1\CC12CCCC2 307981767 572337033 /nfs/dbraw/zinc/33/70/33/572337033.db2.gz PAXPBSSHJDODKI-UMYFRRCYSA-N 0 0 166.264 2.648 10 0 AFAERN CCCCCC[C@@]1(O)CCSC1 86938014 572337064 /nfs/dbraw/zinc/33/70/64/572337064.db2.gz AIMNQHHSBRNHOK-SNVBAGLBSA-N 0 0 188.336 2.825 10 0 AFAERN CCc1ccccc1/C=C(/C)[N+](=O)[O-] 52201544 572337072 /nfs/dbraw/zinc/33/70/72/572337072.db2.gz GBIBSAZGILEGOB-HJWRWDBZSA-N 0 0 191.230 2.887 10 0 AFAERN CCCCC/C=C\[C@H](O)C(F)F 307981232 572337104 /nfs/dbraw/zinc/33/71/04/572337104.db2.gz OFVRSAGZNQTRIG-UAPHAKCISA-N 0 0 178.222 2.749 10 0 AFAERN CCCCN(C)c1ccc(N)c(F)c1 77296028 572337208 /nfs/dbraw/zinc/33/72/08/572337208.db2.gz RZINBBQMBDOKMD-UHFFFAOYSA-N 0 0 196.269 2.644 10 0 AFAERN C=C/C=C\CCC(=O)c1cncs1 713684645 572337399 /nfs/dbraw/zinc/33/73/99/572337399.db2.gz NQBWWEBFOODKQD-ARJAWSKDSA-N 0 0 193.271 2.848 10 0 AFAERN CCCCC[C@@H](CC(C)C)C(N)=O 238207595 572337414 /nfs/dbraw/zinc/33/74/14/572337414.db2.gz YJFPZHPMGFJELR-JTQLQIEISA-N 0 0 185.311 2.714 10 0 AFAERN CCC/C=C(/F)[C@@H](O)C=C(F)F 238213091 572339123 /nfs/dbraw/zinc/33/91/23/572339123.db2.gz OTLNONCWGNTIDK-KNIZRNDPSA-N 0 0 180.169 2.781 10 0 AFAERN C[C@@H](O)C/C=C1\CC12CCCC2 307981766 572337593 /nfs/dbraw/zinc/33/75/93/572337593.db2.gz PAXPBSSHJDODKI-RAJVOEEQSA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)(C)CCCCn1cc(N)cn1 77295891 572337662 /nfs/dbraw/zinc/33/76/62/572337662.db2.gz BMBCTKNMUVXHHK-UHFFFAOYSA-N 0 0 195.310 2.682 10 0 AFAERN CCCCCC[C@@H](O)C(=O)C(C)C 238209271 572337717 /nfs/dbraw/zinc/33/77/17/572337717.db2.gz VFRFWUQMUAABAO-SNVBAGLBSA-N 0 0 186.295 2.543 10 0 AFAERN CCC(CC)(CCCCCO)OC 238206334 572337726 /nfs/dbraw/zinc/33/77/26/572337726.db2.gz SFQNDSQYXBBHGA-UHFFFAOYSA-N 0 0 188.311 2.744 10 0 AFAERN C/C=C/CCC(=O)[C@@H](CO)CCCC 238212792 572337730 /nfs/dbraw/zinc/33/77/30/572337730.db2.gz GGDJHFWSJRYWAP-JOAKQRRISA-N 0 0 198.306 2.711 10 0 AFAERN Cc1cn(CC(C)(C)C)c(C)n1 713240259 572337802 /nfs/dbraw/zinc/33/78/02/572337802.db2.gz NBLSABZHUHXOQW-UHFFFAOYSA-N 0 0 166.268 2.546 10 0 AFAERN C=C/C=C/CCC(=O)c1cncs1 713684693 572337808 /nfs/dbraw/zinc/33/78/08/572337808.db2.gz NQBWWEBFOODKQD-ONEGZZNKSA-N 0 0 193.271 2.848 10 0 AFAERN CCC[C@@H](C)C[C@@]1(O)CCSC1 86938287 572337948 /nfs/dbraw/zinc/33/79/48/572337948.db2.gz NFMVOSKYGKWAKK-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN C=C/C=C\CC[C@H](O)c1ccncc1 713680528 572337984 /nfs/dbraw/zinc/33/79/84/572337984.db2.gz DSFUBJYGNZREGU-MVZIDQBPSA-N 0 0 189.258 2.637 10 0 AFAERN C=C/C=C\CC[C@@H](O)c1ccncc1 713680530 572337991 /nfs/dbraw/zinc/33/79/91/572337991.db2.gz DSFUBJYGNZREGU-VSQXVHSFSA-N 0 0 189.258 2.637 10 0 AFAERN CCCCC(=O)[C@@H](CO)CCCC 238212773 572337993 /nfs/dbraw/zinc/33/79/93/572337993.db2.gz VMJKUQNEZXHIJQ-SNVBAGLBSA-N 0 0 186.295 2.544 10 0 AFAERN C=C/C=C\CCC(=O)C(C)(C)OCC 713684169 572338002 /nfs/dbraw/zinc/33/80/02/572338002.db2.gz MZVXLIUUBJXVJA-FPLPWBNLSA-N 0 0 196.290 2.893 10 0 AFAERN C=C/C=C/CC[C@H](O)c1nccs1 713682689 572338092 /nfs/dbraw/zinc/33/80/92/572338092.db2.gz JFKJPBKWAOEQSP-NWALNABHSA-N 0 0 195.287 2.699 10 0 AFAERN C=C=C[C@@H](O)[C@@H](CC)CCCC 238208754 572338146 /nfs/dbraw/zinc/33/81/46/572338146.db2.gz HJKMOOLSXULCJF-WDEREUQCSA-N 0 0 168.280 2.905 10 0 AFAERN C=C=C[C@H](O)[C@H](CC)CCCC 238208857 572338171 /nfs/dbraw/zinc/33/81/71/572338171.db2.gz HJKMOOLSXULCJF-MNOVXSKESA-N 0 0 168.280 2.905 10 0 AFAERN C=C/C=C/CCC(=O)CSCC 713680759 572338307 /nfs/dbraw/zinc/33/83/07/572338307.db2.gz WZJLRHUKOYOYIP-AATRIKPKSA-N 0 0 184.304 2.831 10 0 AFAERN C=C/C=C\CCC(=O)CSCC 713680760 572338533 /nfs/dbraw/zinc/33/85/33/572338533.db2.gz WZJLRHUKOYOYIP-WAYWQWQTSA-N 0 0 184.304 2.831 10 0 AFAERN CCC[C@@H](C)C[C@]1(O)CCSC1 86938285 572338370 /nfs/dbraw/zinc/33/83/70/572338370.db2.gz NFMVOSKYGKWAKK-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN CC/C=C/CC(=O)[C@@H](CO)CCCC 238212818 572338385 /nfs/dbraw/zinc/33/83/85/572338385.db2.gz FPBXNLXJSLRCMJ-OKPNEXGHSA-N 0 0 198.306 2.711 10 0 AFAERN CCCCC/C=C/[C@H](O)C(F)F 307981231 572338419 /nfs/dbraw/zinc/33/84/19/572338419.db2.gz OFVRSAGZNQTRIG-CZEYKFRCSA-N 0 0 178.222 2.749 10 0 AFAERN CO[C@@H]1CC[C@H](n2c(C)ccc2C)C1 234988409 572338450 /nfs/dbraw/zinc/33/84/50/572338450.db2.gz WQOLCFVAAIENCC-NWDGAFQWSA-N 0 0 193.290 2.845 10 0 AFAERN CCCCC[C@H]1C=C[C@@H](O)CC1 196587798 572338470 /nfs/dbraw/zinc/33/84/70/572338470.db2.gz GKYGCPPTSBHIRE-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN O[C@@H]1CCCc2c1ccn2C1CCC1 52213938 572338508 /nfs/dbraw/zinc/33/85/08/572338508.db2.gz SIUIROZFSPXTFI-GFCCVEGCSA-N 0 0 191.274 2.583 10 0 AFAERN CCC/C=C(/F)[C@@H](O)c1ccccn1 238213133 572338682 /nfs/dbraw/zinc/33/86/82/572338682.db2.gz SCHUIBJXUBBQSG-OALRPVAKSA-N 0 0 195.237 2.769 10 0 AFAERN CCCC=C=C[C@H](CO)CCC 238213199 572338750 /nfs/dbraw/zinc/33/87/50/572338750.db2.gz NYMXZQFKOKTGHA-PLNQYNMKSA-N 0 0 168.280 2.906 10 0 AFAERN C=C/C=C/CC[C@H](O)c1cncs1 713683307 572338755 /nfs/dbraw/zinc/33/87/55/572338755.db2.gz KCPNSNZJGFCIRI-NWALNABHSA-N 0 0 195.287 2.699 10 0 AFAERN C=C/C=C/C(CC)(CC)CO 238213021 572338775 /nfs/dbraw/zinc/33/87/75/572338775.db2.gz LQXSELIAHVPSOL-BQYQJAHWSA-N 0 0 154.253 2.527 10 0 AFAERN CCCC=C=C[C@@H](CC)CO 238213012 572338816 /nfs/dbraw/zinc/33/88/16/572338816.db2.gz OIVRUWHHAAZOAX-OMNKOJBGSA-N 0 0 154.253 2.516 10 0 AFAERN CC=C=C[C@@H](CO)CCCC 238212936 572338886 /nfs/dbraw/zinc/33/88/86/572338886.db2.gz FTFXDUPTHIWSIE-URYLQHRCSA-N 0 0 154.253 2.516 10 0 AFAERN CCCC=C=CCCCCO 238212925 572338896 /nfs/dbraw/zinc/33/88/96/572338896.db2.gz NLSHSNAYUHVLCB-UHFFFAOYSA-N 0 0 154.253 2.660 10 0 AFAERN CCCC=C=C[C@@H](CO)CCC 238213034 572338918 /nfs/dbraw/zinc/33/89/18/572338918.db2.gz NYMXZQFKOKTGHA-QRIDDKLISA-N 0 0 168.280 2.906 10 0 AFAERN CCCC=C=C[C@H](CC)CO 238213184 572338947 /nfs/dbraw/zinc/33/89/47/572338947.db2.gz OIVRUWHHAAZOAX-MHPPCMCBSA-N 0 0 154.253 2.516 10 0 AFAERN CCC/C=C(/F)[C@H](O)c1ccccn1 238213192 572338951 /nfs/dbraw/zinc/33/89/51/572338951.db2.gz SCHUIBJXUBBQSG-LAHYYIKRSA-N 0 0 195.237 2.769 10 0 AFAERN CCC/C=C(/F)[C@H](O)C=C(F)F 238213157 572338975 /nfs/dbraw/zinc/33/89/75/572338975.db2.gz OTLNONCWGNTIDK-PTYLAXBQSA-N 0 0 180.169 2.781 10 0 AFAERN C=C/C=C\CC[C@H](O)c1cncs1 713683312 572339093 /nfs/dbraw/zinc/33/90/93/572339093.db2.gz KCPNSNZJGFCIRI-TYRPZCRBSA-N 0 0 195.287 2.699 10 0 AFAERN CCC(CC)CC(=O)OC1CC1 307982484 572339167 /nfs/dbraw/zinc/33/91/67/572339167.db2.gz POVKPQFCCWGZPE-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN C=C/C=C\CC[C@@H](O)c1nccs1 713682696 572339360 /nfs/dbraw/zinc/33/93/60/572339360.db2.gz JFKJPBKWAOEQSP-ZBJFTSOASA-N 0 0 195.287 2.699 10 0 AFAERN C/C=C/[C@H](O)C(C)=C=CCCC 238212534 572339401 /nfs/dbraw/zinc/33/94/01/572339401.db2.gz CWVWMRGRVFWYLZ-RHDSUNGXSA-N 0 0 166.264 2.825 10 0 AFAERN CCCCC[C@@H](O)C(C)(C)C(C)=O 238214488 572339466 /nfs/dbraw/zinc/33/94/66/572339466.db2.gz YDWCNWIUGMTTTI-SNVBAGLBSA-N 0 0 186.295 2.543 10 0 AFAERN CCCCC[C@@H](O)C[C@H]1C=CCCO1 238215401 572339501 /nfs/dbraw/zinc/33/95/01/572339501.db2.gz BQOOEPVGZCTEGD-VXGBXAGGSA-N 0 0 198.306 2.663 10 0 AFAERN COP(=O)(OC)C(C=O)C(C)C 307983062 572339545 /nfs/dbraw/zinc/33/95/45/572339545.db2.gz QFSDKUPBRQKLAB-ALCCZGGFSA-N 0 0 194.167 2.528 10 0 AFAERN CCC/C=C/CO[C@@H]1CCCC[C@H]1O 238214837 572339553 /nfs/dbraw/zinc/33/95/53/572339553.db2.gz SAFVINBQXDKJSG-KSOFABFVSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)[C@@H](C)c1cc(O)cc(O)c1 60271837 572339583 /nfs/dbraw/zinc/33/95/83/572339583.db2.gz PKWFCBRPGPYJMP-MRVPVSSYSA-N 0 0 180.247 2.857 10 0 AFAERN CCCCC[C@@H](O)C(C)=C=COC 238214547 572339645 /nfs/dbraw/zinc/33/96/45/572339645.db2.gz ZSJKHBQXWKLPKC-QHDYGNBISA-N 0 0 184.279 2.633 10 0 AFAERN CCCC[C@H](C)Nc1nnc(C)s1 83584240 572339698 /nfs/dbraw/zinc/33/96/98/572339698.db2.gz GJHHPFVETLXZJQ-ZETCQYMHSA-N 0 0 199.323 2.837 10 0 AFAERN C[C@H]1C[C@@H]1n1ccc2c1CCCC2=O 52299213 572339854 /nfs/dbraw/zinc/33/98/54/572339854.db2.gz LVJCXCVJXRBGSD-KWQFWETISA-N 0 0 189.258 2.588 10 0 AFAERN C[C@@H]1Cc2c(-c3ccccc3)cnn2C1 196625424 572339930 /nfs/dbraw/zinc/33/99/30/572339930.db2.gz UDLRHVMGJGAJMZ-SNVBAGLBSA-N 0 0 198.269 2.742 10 0 AFAERN CCCC[C@@H](C)Nc1nnc(C)s1 83584238 572339933 /nfs/dbraw/zinc/33/99/33/572339933.db2.gz GJHHPFVETLXZJQ-SSDOTTSWSA-N 0 0 199.323 2.837 10 0 AFAERN C/C=C/[C@@H](O)C(C)=C=CCCC 238212560 572339954 /nfs/dbraw/zinc/33/99/54/572339954.db2.gz CWVWMRGRVFWYLZ-QBLZIMDISA-N 0 0 166.264 2.825 10 0 AFAERN C/C=C/[C@H](O)C/C=C/CCC 238215002 572339960 /nfs/dbraw/zinc/33/99/60/572339960.db2.gz PGKVNKRXUFKBCG-DSXPVBMESA-N 0 0 154.253 2.670 10 0 AFAERN CCCCC[C@@H](O)C1=CC1(C)C 238214748 572339962 /nfs/dbraw/zinc/33/99/62/572339962.db2.gz BNICUJLFJOOISA-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN CC/C=C(/C)CCCCCO 238215441 572339996 /nfs/dbraw/zinc/33/99/96/572339996.db2.gz YJQJYZAUMZYRCH-YFHOEESVSA-N 0 0 156.269 2.895 10 0 AFAERN CCc1cc(=S)n([C@@H](C)C2CC2)[nH]1 52305628 572340039 /nfs/dbraw/zinc/34/00/39/572340039.db2.gz ZCWOSTWBQSUCIH-ZETCQYMHSA-N 0 0 196.319 2.705 10 0 AFAERN COC[C@H](C)Oc1cc(C)cc(C)c1 83577064 572340041 /nfs/dbraw/zinc/34/00/41/572340041.db2.gz LDBFIMOSRBJEGJ-NSHDSACASA-N 0 0 194.274 2.717 10 0 AFAERN C[C@@H]1C[C@H]1n1ccc2c1CCCC2=O 52299215 572340053 /nfs/dbraw/zinc/34/00/53/572340053.db2.gz LVJCXCVJXRBGSD-LDYMZIIASA-N 0 0 189.258 2.588 10 0 AFAERN CCCc1cccc2s[nH]c(=O)c12 60239361 572340120 /nfs/dbraw/zinc/34/01/20/572340120.db2.gz KJZQLQMKSSBVCJ-UHFFFAOYSA-N 0 0 193.271 2.954 10 0 AFAERN CC(C)=C[C@H](C)C/C(C)=C\CO 307982332 572340124 /nfs/dbraw/zinc/34/01/24/572340124.db2.gz PUPJIMVAEIMCLL-VQNWOSHQSA-N 0 0 168.280 2.917 10 0 AFAERN C=CC=CCCC(=O)c1ccsn1 713685269 572340157 /nfs/dbraw/zinc/34/01/57/572340157.db2.gz PBFIGVBKVAOMKX-ONEGZZNKSA-N 0 0 193.271 2.848 10 0 AFAERN Cc1nc2c(C=O)cccc2c(C)c1C 196744875 572340178 /nfs/dbraw/zinc/34/01/78/572340178.db2.gz BGEBSYFCKFLJDC-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN CCC/C=C(/CC)[C@H](O)CC 238212439 572340207 /nfs/dbraw/zinc/34/02/07/572340207.db2.gz ADJAYVDKOSHXCE-HSTULFTRSA-N 0 0 156.269 2.894 10 0 AFAERN CCCC/C=C\CCCCC(N)=O 307982853 572340333 /nfs/dbraw/zinc/34/03/33/572340333.db2.gz FDKDCWMPVTYDRG-WAYWQWQTSA-N 0 0 183.295 2.779 10 0 AFAERN Cc1ccc([C@H](CCO)C(C)C)o1 238212252 572340417 /nfs/dbraw/zinc/34/04/17/572340417.db2.gz SEDXKIAQKRKNNR-SNVBAGLBSA-N 0 0 182.263 2.710 10 0 AFAERN Cc1ccccc1S/C=C\CO 307982255 572340529 /nfs/dbraw/zinc/34/05/29/572340529.db2.gz PMLMVQGZBYVTGO-YWEYNIOJSA-N 0 0 180.272 2.593 10 0 AFAERN C/C=C(\CC)[C@H](NC(C)=O)C(C)C 238212221 572340583 /nfs/dbraw/zinc/34/05/83/572340583.db2.gz ZHWZHTMSNAMYBW-CDCCAWJDSA-N 0 0 183.295 2.503 10 0 AFAERN C=C/C=C/CCOc1cccnc1F 713686232 572340589 /nfs/dbraw/zinc/34/05/89/572340589.db2.gz RSWGBNCBRNBXKU-ONEGZZNKSA-N 0 0 193.221 2.732 10 0 AFAERN CCCCCC[C@@H]1CCCO[C@H]1O 238212667 572340613 /nfs/dbraw/zinc/34/06/13/572340613.db2.gz RQCYPXANWZHODZ-GHMZBOCLSA-N 0 0 186.295 2.702 10 0 AFAERN CC/C=C(/C)CC/C=C/CO 238215492 572340699 /nfs/dbraw/zinc/34/06/99/572340699.db2.gz QANGVBMJQCQLFV-JSRXJHBZSA-N 0 0 154.253 2.671 10 0 AFAERN CCc1cc(=S)n(CCC(C)C)[nH]1 52305837 572340724 /nfs/dbraw/zinc/34/07/24/572340724.db2.gz VQCNWXGHRSAUJT-UHFFFAOYSA-N 0 0 198.335 2.780 10 0 AFAERN CCCCC[C@@H](O)/C(F)=C/F 238214658 572340739 /nfs/dbraw/zinc/34/07/39/572340739.db2.gz LZGMQXKOKRGPHE-NFXKFNAJSA-N 0 0 164.195 2.708 10 0 AFAERN CCCCC[C@@H](O)COCCCC 238215306 572340783 /nfs/dbraw/zinc/34/07/83/572340783.db2.gz BXDKZIRMEBOPKA-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CCC/C=C/CO[C@@H]1CCCC[C@@H]1O 238214826 572340858 /nfs/dbraw/zinc/34/08/58/572340858.db2.gz SAFVINBQXDKJSG-BLWPOKMGSA-N 0 0 198.306 2.663 10 0 AFAERN C/C=C(\CC)[C@@H](NC(C)=O)C(C)C 238212117 572340918 /nfs/dbraw/zinc/34/09/18/572340918.db2.gz ZHWZHTMSNAMYBW-RUYJGKKWSA-N 0 0 183.295 2.503 10 0 AFAERN CCCCCC[C@@H]1[C@H](O)[C@@]1(F)Cl 238215170 572341006 /nfs/dbraw/zinc/34/10/06/572341006.db2.gz KQXYOTMKHMXGSS-HRDYMLBCSA-N 0 0 194.677 2.852 10 0 AFAERN CCc1cccc(F)c1C 60249320 572341036 /nfs/dbraw/zinc/34/10/36/572341036.db2.gz NDQCTWGDWDSTQH-UHFFFAOYSA-N 0 0 138.185 2.697 10 0 AFAERN CCCC=C=C(CO)SCC 238212698 572341086 /nfs/dbraw/zinc/34/10/86/572341086.db2.gz CACAIPGAUJMHEO-UHFFFAOYSA-N 0 0 172.293 2.571 10 0 AFAERN C[C@@H]1C[C@@H]1n1ccc2c1CCCC2=O 52299209 572341093 /nfs/dbraw/zinc/34/10/93/572341093.db2.gz LVJCXCVJXRBGSD-KCJUWKMLSA-N 0 0 189.258 2.588 10 0 AFAERN COC(=O)C[C@@H]1CCC[C@H]2CCC[C@@H]21 196635645 572341099 /nfs/dbraw/zinc/34/10/99/572341099.db2.gz GUCAGBWPBNXOSP-DCAQKATOSA-N 0 0 196.290 2.766 10 0 AFAERN CCCCC[C@@H](O)[C@@H](C)C(=O)CC 238215686 572341114 /nfs/dbraw/zinc/34/11/14/572341114.db2.gz SLXWBMJFAQAOMA-GXSJLCMTSA-N 0 0 186.295 2.543 10 0 AFAERN C=C/C=C\CCOc1cccnc1F 713686201 572341178 /nfs/dbraw/zinc/34/11/78/572341178.db2.gz RSWGBNCBRNBXKU-ARJAWSKDSA-N 0 0 193.221 2.732 10 0 AFAERN CCCCCC[C@@H]1[C@@H](O)[C@@]1(F)Cl 238215126 572341181 /nfs/dbraw/zinc/34/11/81/572341181.db2.gz KQXYOTMKHMXGSS-IWSPIJDZSA-N 0 0 194.677 2.852 10 0 AFAERN C=CC=CCCC(=O)c1ccsn1 713685265 572341269 /nfs/dbraw/zinc/34/12/69/572341269.db2.gz PBFIGVBKVAOMKX-ARJAWSKDSA-N 0 0 193.271 2.848 10 0 AFAERN CCC/C=C/C[C@@H](O)C(C)C 238214958 572341302 /nfs/dbraw/zinc/34/13/02/572341302.db2.gz QKVKSOGCZBNKAR-VQCYPWCPSA-N 0 0 156.269 2.750 10 0 AFAERN C/C=C/C=C\CCC[C@H](C)CO 307983397 572341373 /nfs/dbraw/zinc/34/13/73/572341373.db2.gz QMJRKVPCFJNIDK-WRGWHIHZSA-N 0 0 168.280 2.917 10 0 AFAERN CCC/C=C(/CC)[C@@H](O)CC 238212203 572341386 /nfs/dbraw/zinc/34/13/86/572341386.db2.gz ADJAYVDKOSHXCE-QROTZFDESA-N 0 0 156.269 2.894 10 0 AFAERN C=C/C(=C/C1CCCC1)CCO 307982329 572341401 /nfs/dbraw/zinc/34/14/01/572341401.db2.gz PUNNSSCLECWNBJ-KTKRTIGZSA-N 0 0 166.264 2.671 10 0 AFAERN CCCC=C=C(CC)CCO 238212581 572341407 /nfs/dbraw/zinc/34/14/07/572341407.db2.gz BTOVCEBEOHDUIB-UHFFFAOYSA-N 0 0 154.253 2.660 10 0 AFAERN COc1ccc2c(c1)[C@@H](C1CC1)CN2 234996782 572341433 /nfs/dbraw/zinc/34/14/33/572341433.db2.gz FMLMZQSWGAPYCW-LLVKDONJSA-N 0 0 189.258 2.614 10 0 AFAERN C[C@H]1C[C@H]1n1ccc2c1CCCC2=O 52299218 572341447 /nfs/dbraw/zinc/34/14/47/572341447.db2.gz LVJCXCVJXRBGSD-GZMMTYOYSA-N 0 0 189.258 2.588 10 0 AFAERN CCCC=C=C(CCO)C(C)C 238212676 572341449 /nfs/dbraw/zinc/34/14/49/572341449.db2.gz BLMJPACJOATCHX-UHFFFAOYSA-N 0 0 168.280 2.906 10 0 AFAERN C=C/C=C/CCC(=O)[C@@H]1CCCS1 713686460 572341527 /nfs/dbraw/zinc/34/15/27/572341527.db2.gz SDFPTJGPTLAMIB-UFFNRZRYSA-N 0 0 196.315 2.974 10 0 AFAERN CCC/C=C(/CCC)CCO 238212565 572341606 /nfs/dbraw/zinc/34/16/06/572341606.db2.gz PMTCPPJDWBCXII-YFHOEESVSA-N 0 0 156.269 2.895 10 0 AFAERN CCCCC[C@@H](O)C=C(F)F 238214830 572341617 /nfs/dbraw/zinc/34/16/17/572341617.db2.gz ZFWRIKWEFFZMBJ-SSDOTTSWSA-N 0 0 164.195 2.708 10 0 AFAERN CCC/C=C/C[C@H](O)C(C)C 238215149 572341634 /nfs/dbraw/zinc/34/16/34/572341634.db2.gz QKVKSOGCZBNKAR-FGEFZZPRSA-N 0 0 156.269 2.750 10 0 AFAERN CCC/C=C/[C@@H](CC)CCO 238215461 572341723 /nfs/dbraw/zinc/34/17/23/572341723.db2.gz XNNDDMWCDUJKEH-VQCYPWCPSA-N 0 0 156.269 2.751 10 0 AFAERN CCCCn1ccc2cccnc21 60245828 572341741 /nfs/dbraw/zinc/34/17/41/572341741.db2.gz COVJZVLBFHYCHJ-UHFFFAOYSA-N 0 0 174.247 2.836 10 0 AFAERN CCc1cc(=S)n([C@H](C)C2CC2)[nH]1 52305631 572341941 /nfs/dbraw/zinc/34/19/41/572341941.db2.gz ZCWOSTWBQSUCIH-SSDOTTSWSA-N 0 0 196.319 2.705 10 0 AFAERN CCCCCC[C@@H]1O[C@H](O)C[C@@H]1C 238214999 572341997 /nfs/dbraw/zinc/34/19/97/572341997.db2.gz MXGMSTVWGMKGHK-DCAQKATOSA-N 0 0 186.295 2.700 10 0 AFAERN CCCCCC[C@@H]1CCCO[C@@H]1O 238212651 572342042 /nfs/dbraw/zinc/34/20/42/572342042.db2.gz RQCYPXANWZHODZ-MNOVXSKESA-N 0 0 186.295 2.702 10 0 AFAERN COC[C@@H](C)Oc1cc(C)cc(C)c1 83577067 572342216 /nfs/dbraw/zinc/34/22/16/572342216.db2.gz LDBFIMOSRBJEGJ-LLVKDONJSA-N 0 0 194.274 2.717 10 0 AFAERN CCCCCC[C@@H]1CCC(C=O)=NO1 238212532 572342286 /nfs/dbraw/zinc/34/22/86/572342286.db2.gz QSHFGQBBERPHCA-LLVKDONJSA-N 0 0 197.278 2.691 10 0 AFAERN CCC(CC)n1[nH]c(C)cc1=S 52305562 572342313 /nfs/dbraw/zinc/34/23/13/572342313.db2.gz SXFFHFHTIDJQCA-UHFFFAOYSA-N 0 0 184.308 2.841 10 0 AFAERN C/C(Cl)=C\[C@H](O)c1ccccc1 307980585 572342546 /nfs/dbraw/zinc/34/25/46/572342546.db2.gz NRSYMZJCXNNYQG-JARNTUPDSA-N 0 0 182.650 2.863 10 0 AFAERN CCC[C@H]1CC[C@H](CCO)CC1 307979971 572342771 /nfs/dbraw/zinc/34/27/71/572342771.db2.gz MWKPFXJGIVOKNX-XYPYZODXSA-N 0 0 170.296 2.975 10 0 AFAERN Cc1cc(C)cc(-c2cc[nH]c(=O)c2)c1 65337734 572344036 /nfs/dbraw/zinc/34/40/36/572344036.db2.gz SFTWTWGZLVGTBG-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN C/C=C\[C@H](O)C/C=C/[Si](C)(C)C 307980580 572342865 /nfs/dbraw/zinc/34/28/65/572342865.db2.gz NQKRDDYDONHREB-RJPSNAOVSA-N 0 0 184.355 2.747 10 0 AFAERN C/C(=C\[C@@H](C)O)c1cc(C)oc1C 388432921 572342938 /nfs/dbraw/zinc/34/29/38/572342938.db2.gz MZEGCQDYHWBDDK-WVXIBAHESA-N 0 0 180.247 2.681 10 0 AFAERN O[C@H]1CCC[C@@H]1SC1CCCC1 60285916 572343045 /nfs/dbraw/zinc/34/30/45/572343045.db2.gz UKKIXBAJLJZZOF-UWVGGRQHSA-N 0 0 186.320 2.576 10 0 AFAERN Nc1cccc2c1Nc1ccccc1C2 238638935 572343074 /nfs/dbraw/zinc/34/30/74/572343074.db2.gz KZOLGWDNAWLMTL-UHFFFAOYSA-N 0 0 196.253 2.917 10 0 AFAERN O[C@@H]1CCC[C@@H](Cc2ccccc2)C1 60295491 572344055 /nfs/dbraw/zinc/34/40/55/572344055.db2.gz LNTYHXQUHSWFPA-QWHCGFSZSA-N 0 0 190.286 2.780 10 0 AFAERN CCC=C=C[C@@H](CC)[C@@H](O)CC 238216733 572343457 /nfs/dbraw/zinc/34/34/57/572343457.db2.gz WLKOCVPXPFLXBU-JROPRLTOSA-N 0 0 168.280 2.905 10 0 AFAERN CC/C(=C/c1ccccc1)CCO 238213876 572343497 /nfs/dbraw/zinc/34/34/97/572343497.db2.gz KSLQJTFPDGRHQP-KHPPLWFESA-N 0 0 176.259 2.862 10 0 AFAERN CC(C)C/C(=C\CO)[Si](C)(C)C 307980555 572343578 /nfs/dbraw/zinc/34/35/78/572343578.db2.gz NMAQYZOXVDAQOA-UXBLZVDNSA-N 0 0 186.371 2.829 10 0 AFAERN CCC=C=C[C@H](CC)[C@@H](O)CC 238216846 572343608 /nfs/dbraw/zinc/34/36/08/572343608.db2.gz WLKOCVPXPFLXBU-CSUXEGHOSA-N 0 0 168.280 2.905 10 0 AFAERN CCCCC[C@@H](O)[C@H](C)C(=O)CC 238216564 572343670 /nfs/dbraw/zinc/34/36/70/572343670.db2.gz SLXWBMJFAQAOMA-MWLCHTKSSA-N 0 0 186.295 2.543 10 0 AFAERN Cc1ccc(/C=C\[C@H](C)O)cc1F 388436446 572343700 /nfs/dbraw/zinc/34/37/00/572343700.db2.gz PTHAWVWLBJZRAG-RNEXMXFGSA-N 0 0 180.222 2.528 10 0 AFAERN O[C@H]1CCC[C@H]1SC1CCCC1 60285914 572343725 /nfs/dbraw/zinc/34/37/25/572343725.db2.gz UKKIXBAJLJZZOF-VHSXEESVSA-N 0 0 186.320 2.576 10 0 AFAERN CC[C@@H]([NH2+]C)c1cccc(OC)c1F 214097466 572343782 /nfs/dbraw/zinc/34/37/82/572343782.db2.gz ZANKPMCTAOTUKK-SECBINFHSA-N 0 0 197.253 2.505 10 0 AFAERN O[C@@H]1CCC[C@H]1SC1CCCC1 60285917 572343796 /nfs/dbraw/zinc/34/37/96/572343796.db2.gz UKKIXBAJLJZZOF-NXEZZACHSA-N 0 0 186.320 2.576 10 0 AFAERN C[C@@H](O)CCc1cccc(C2CC2)c1 87014039 572343916 /nfs/dbraw/zinc/34/39/16/572343916.db2.gz BLXDESSAUIWSLH-SNVBAGLBSA-N 0 0 190.286 2.877 10 0 AFAERN C=COc1ccccc1OCC 60300983 572343921 /nfs/dbraw/zinc/34/39/21/572343921.db2.gz INZUFSNHKJMTTA-UHFFFAOYSA-N 0 0 164.204 2.608 10 0 AFAERN C=CC=C=C(CCO)c1ccccc1 238637384 572343932 /nfs/dbraw/zinc/34/39/32/572343932.db2.gz UQIIMVWMZPGLSX-UHFFFAOYSA-N 0 0 186.254 2.794 10 0 AFAERN CCCCC[C@@H](O)[C@@]1(C)CCCC1=O 238216489 572343944 /nfs/dbraw/zinc/34/39/44/572343944.db2.gz DKCPIDFNDSEAFY-ZYHUDNBSSA-N 0 0 198.306 2.687 10 0 AFAERN CCCCOC(=O)NC(C)(C)CC 238216175 572344008 /nfs/dbraw/zinc/34/40/08/572344008.db2.gz RUKURZJUPVFOBQ-UHFFFAOYSA-N 0 0 187.283 2.701 10 0 AFAERN C/C=C\[C@H](O)C/C=C\[Si](C)(C)C 307980579 572344020 /nfs/dbraw/zinc/34/40/20/572344020.db2.gz NQKRDDYDONHREB-QUOCLQDESA-N 0 0 184.355 2.747 10 0 AFAERN CCC/C=C/[C@@H](O)c1nccs1 238215964 572344104 /nfs/dbraw/zinc/34/41/04/572344104.db2.gz GBGSZCWTOIWOSJ-WTSVBCDHSA-N 0 0 183.276 2.533 10 0 AFAERN CCCC[C@H](CO)c1ccc(C)o1 238213861 572344119 /nfs/dbraw/zinc/34/41/19/572344119.db2.gz IQFHTLDVRCWCTO-SNVBAGLBSA-N 0 0 182.263 2.854 10 0 AFAERN Cc1ccsc1CC[C@H](O)C1CC1 87023407 572344256 /nfs/dbraw/zinc/34/42/56/572344256.db2.gz WCXQCLUIONULEV-JTQLQIEISA-N 0 0 196.315 2.760 10 0 AFAERN CCC(=O)CCc1sccc1C 87022992 572344370 /nfs/dbraw/zinc/34/43/70/572344370.db2.gz GYDWANXDBRRQAH-UHFFFAOYSA-N 0 0 182.288 2.968 10 0 AFAERN O[C@H]1CCC[C@@H](Cc2ccccc2)C1 60295485 572345386 /nfs/dbraw/zinc/34/53/86/572345386.db2.gz LNTYHXQUHSWFPA-STQMWFEESA-N 0 0 190.286 2.780 10 0 AFAERN Nc1cccc2c1-c1ccc(F)cc1C2 238638889 572344510 /nfs/dbraw/zinc/34/45/10/572344510.db2.gz JXAGNYWHCUXLNY-UHFFFAOYSA-N 0 0 199.228 2.979 10 0 AFAERN CCOC(=N)c1ccc(C2CC2)cc1 87012915 572344533 /nfs/dbraw/zinc/34/45/33/572344533.db2.gz XWAXQBCJIBSUBD-UHFFFAOYSA-N 0 0 189.258 2.926 10 0 AFAERN CCCOCC(=O)c1sccc1C 87021269 572344599 /nfs/dbraw/zinc/34/45/99/572344599.db2.gz YHKDUIUNACGDKS-UHFFFAOYSA-N 0 0 198.287 2.666 10 0 AFAERN Cc1ccsc1CCC(=O)C1CC1 87022999 572344621 /nfs/dbraw/zinc/34/46/21/572344621.db2.gz REOKVVNYARHIFN-UHFFFAOYSA-N 0 0 194.299 2.968 10 0 AFAERN CC(C)=C[C@@H]1CC(C)(C)C1=O 196617525 572344642 /nfs/dbraw/zinc/34/46/42/572344642.db2.gz RAOXZKIXQWPTTK-MRVPVSSYSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1ccsc1CC[C@@H](O)C1CC1 87023408 572344678 /nfs/dbraw/zinc/34/46/78/572344678.db2.gz WCXQCLUIONULEV-SNVBAGLBSA-N 0 0 196.315 2.760 10 0 AFAERN CC/C=C(/C)[C@H](C)OC(C)(C)CO 238216338 572344709 /nfs/dbraw/zinc/34/47/09/572344709.db2.gz VFPOFLDLRNSJSH-RNKPRXRFSA-N 0 0 186.295 2.519 10 0 AFAERN C[C@H]1Cc2ccc3cccnc3c2N1 196613182 572344717 /nfs/dbraw/zinc/34/47/17/572344717.db2.gz LZQLSZYBLDGBQA-QMMMGPOBSA-N 0 0 184.242 2.591 10 0 AFAERN CC/C=C(/C)[C@@H](C)OC(C)(C)CO 238215792 572344720 /nfs/dbraw/zinc/34/47/20/572344720.db2.gz VFPOFLDLRNSJSH-UJICNMFASA-N 0 0 186.295 2.519 10 0 AFAERN C/C(Cl)=C\[C@@H](O)c1ccccc1 307980586 572344729 /nfs/dbraw/zinc/34/47/29/572344729.db2.gz NRSYMZJCXNNYQG-QROSGCPLSA-N 0 0 182.650 2.863 10 0 AFAERN O[C@@H]1CCC[C@@H]1SC1CCCC1 60285920 572344745 /nfs/dbraw/zinc/34/47/45/572344745.db2.gz UKKIXBAJLJZZOF-ZJUUUORDSA-N 0 0 186.320 2.576 10 0 AFAERN CC[C@@H](O)CCc1sccc1C 87023401 572344752 /nfs/dbraw/zinc/34/47/52/572344752.db2.gz DNFDTMIGQFCVDT-SECBINFHSA-N 0 0 184.304 2.760 10 0 AFAERN CCOC(=N)c1ccccc1C1CC1 87014624 572344792 /nfs/dbraw/zinc/34/47/92/572344792.db2.gz FLLJGWUOVUBHDW-UHFFFAOYSA-N 0 0 189.258 2.926 10 0 AFAERN CC(C)=C1CC[C@H](C)C[C@H]1OCCO 196616118 572344851 /nfs/dbraw/zinc/34/48/51/572344851.db2.gz CRZBODXJIGEPTH-CMPLNLGQSA-N 0 0 198.306 2.520 10 0 AFAERN c1ccc2c(c1)Cc1ncccc1N2 196618607 572344882 /nfs/dbraw/zinc/34/48/82/572344882.db2.gz LBSFLDUYCFLUBD-UHFFFAOYSA-N 0 0 182.226 2.729 10 0 AFAERN Nc1cc(O)c2c(c1)Cc1ccccc1-2 238640241 572344893 /nfs/dbraw/zinc/34/48/93/572344893.db2.gz UITZFASPANNVDV-UHFFFAOYSA-N 0 0 197.237 2.546 10 0 AFAERN CCC(C)=C=CC(C)(C)CO 196614151 572344938 /nfs/dbraw/zinc/34/49/38/572344938.db2.gz GRKSKNCFYCGYAG-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN C[C@@H]1Cc2ccc3cccnc3c2N1 196613167 572344952 /nfs/dbraw/zinc/34/49/52/572344952.db2.gz LZQLSZYBLDGBQA-MRVPVSSYSA-N 0 0 184.242 2.591 10 0 AFAERN O[C@H]1CCC[C@H](Cc2ccccc2)C1 60295488 572345154 /nfs/dbraw/zinc/34/51/54/572345154.db2.gz LNTYHXQUHSWFPA-OLZOCXBDSA-N 0 0 190.286 2.780 10 0 AFAERN Cc1ccc(/C=C\[C@@H](C)O)cc1F 388436450 572345090 /nfs/dbraw/zinc/34/50/90/572345090.db2.gz PTHAWVWLBJZRAG-XTULLQBASA-N 0 0 180.222 2.528 10 0 AFAERN O[C@@H]1CCC[C@H](Cc2ccccc2)C1 60295496 572345190 /nfs/dbraw/zinc/34/51/90/572345190.db2.gz LNTYHXQUHSWFPA-CHWSQXEVSA-N 0 0 190.286 2.780 10 0 AFAERN C[C@@H](O)CCc1ccccc1C1CC1 87014905 572345235 /nfs/dbraw/zinc/34/52/35/572345235.db2.gz NIXKQRVZVJCJMU-SNVBAGLBSA-N 0 0 190.286 2.877 10 0 AFAERN CCC/C=C/[C@@H](O)c1nc(C)cs1 238215954 572345240 /nfs/dbraw/zinc/34/52/40/572345240.db2.gz OORGZUGJZDLBDK-VUHVRTRXSA-N 0 0 197.303 2.841 10 0 AFAERN C/C(=C\c1ccc(C2CC2)cc1)CO 87014317 572345301 /nfs/dbraw/zinc/34/53/01/572345301.db2.gz TUXPFECKHZWEOE-CSKARUKUSA-N 0 0 188.270 2.960 10 0 AFAERN C/C(=C\c1cccc(C2CC2)c1)CO 87014319 572345307 /nfs/dbraw/zinc/34/53/07/572345307.db2.gz OBEWXDABNAJYJX-JXMROGBWSA-N 0 0 188.270 2.960 10 0 AFAERN COC[C@@](C)(O)C1=CCCCCCC1 234690125 572345445 /nfs/dbraw/zinc/34/54/45/572345445.db2.gz XIKNDJGBTJTNLU-GFCCVEGCSA-N 0 0 198.306 2.664 10 0 AFAERN C/C(=C\CO)CC[C@@H](C)C(C)C 238216385 572345599 /nfs/dbraw/zinc/34/55/99/572345599.db2.gz WEOWPJWXZTZMBX-PFEDMVJOSA-N 0 0 170.296 2.997 10 0 AFAERN CCC/C=C/[C@H](O)c1nccs1 238217902 572345718 /nfs/dbraw/zinc/34/57/18/572345718.db2.gz GBGSZCWTOIWOSJ-ZJELKQJVSA-N 0 0 183.276 2.533 10 0 AFAERN CC[C@@H]1Cc2c(F)cc(C)cc2C1=O 714377490 572345752 /nfs/dbraw/zinc/34/57/52/572345752.db2.gz IAZIJWBLANEXCA-MRVPVSSYSA-N 0 0 192.233 2.899 10 0 AFAERN CCCCC[C@@H](O)[C@H]1CCCC(=O)C1 238217158 572345781 /nfs/dbraw/zinc/34/57/81/572345781.db2.gz JEYIOOCSGRWADU-CMPLNLGQSA-N 0 0 198.306 2.687 10 0 AFAERN CCO[C@@H](C)C(=O)c1sccc1C 87021305 572345807 /nfs/dbraw/zinc/34/58/07/572345807.db2.gz SAQOUQBMNFSYLG-QMMMGPOBSA-N 0 0 198.287 2.664 10 0 AFAERN CCC=C=C[C@@H](CC)[C@H](O)CC 238216757 572345884 /nfs/dbraw/zinc/34/58/84/572345884.db2.gz WLKOCVPXPFLXBU-GUJYYOPSSA-N 0 0 168.280 2.905 10 0 AFAERN Cc1ccc(-c2cc[nH]c(=O)c2)c(C)c1 65337725 572345895 /nfs/dbraw/zinc/34/58/95/572345895.db2.gz PLZKHNULOJIQDG-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN CC[C@H](O)CCc1sccc1C 87023399 572345929 /nfs/dbraw/zinc/34/59/29/572345929.db2.gz DNFDTMIGQFCVDT-VIFPVBQESA-N 0 0 184.304 2.760 10 0 AFAERN C=C/C=C/CCCCC(C)=O 196804746 572345957 /nfs/dbraw/zinc/34/59/57/572345957.db2.gz KRFKSJOFOWSQGV-SNAWJCMRSA-N 0 0 152.237 2.878 10 0 AFAERN C/C(=C\c1ccccc1C1CC1)CO 87014944 572346700 /nfs/dbraw/zinc/34/67/00/572346700.db2.gz NQBZIGKHBJZRHT-CSKARUKUSA-N 0 0 188.270 2.960 10 0 AFAERN C[C@H](O)CCc1ccc(C2CC2)cc1 87014041 572346339 /nfs/dbraw/zinc/34/63/39/572346339.db2.gz PMWLSNFMXZYYMV-JTQLQIEISA-N 0 0 190.286 2.877 10 0 AFAERN CCOC(=N)c1cccc(C2CC2)c1 87012917 572346395 /nfs/dbraw/zinc/34/63/95/572346395.db2.gz LDHCTMMKWJYCBB-UHFFFAOYSA-N 0 0 189.258 2.926 10 0 AFAERN CCO[C@H](C)C(=O)c1sccc1C 87021308 572346479 /nfs/dbraw/zinc/34/64/79/572346479.db2.gz SAQOUQBMNFSYLG-MRVPVSSYSA-N 0 0 198.287 2.664 10 0 AFAERN CC[C@H](C(=O)OC)c1sccc1C 87019149 572346492 /nfs/dbraw/zinc/34/64/92/572346492.db2.gz JOLJIFZRFVOBLC-QMMMGPOBSA-N 0 0 198.287 2.723 10 0 AFAERN CCCC[C@H](C)C(=O)OC1CC1 307990395 572346714 /nfs/dbraw/zinc/34/67/14/572346714.db2.gz SUAQTCDBRXANMT-QMMMGPOBSA-N 0 0 170.252 2.518 10 0 AFAERN CCCC[C@@H](C)C(=O)OC1CC1 307990393 572346576 /nfs/dbraw/zinc/34/65/76/572346576.db2.gz SUAQTCDBRXANMT-MRVPVSSYSA-N 0 0 170.252 2.518 10 0 AFAERN CCCC(=O)OC(C)(C)C1CC1 307983889 572346670 /nfs/dbraw/zinc/34/66/70/572346670.db2.gz QKOXWVLPWNWTKC-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN CCCCC[C@@H](O)[C@]1(C)CCCC1=O 238217342 572346736 /nfs/dbraw/zinc/34/67/36/572346736.db2.gz DKCPIDFNDSEAFY-PWSUYJOCSA-N 0 0 198.306 2.687 10 0 AFAERN CCCCC[C@@H](O)n1cccc1 238217779 572346859 /nfs/dbraw/zinc/34/68/59/572346859.db2.gz JBPGSOBLBRFEIL-SNVBAGLBSA-N 0 0 167.252 2.559 10 0 AFAERN Nc1cccc2c1oc1ccc(O)cc12 238641333 572347095 /nfs/dbraw/zinc/34/70/95/572347095.db2.gz CMTYOKMLWDERTF-UHFFFAOYSA-N 0 0 199.209 2.874 10 0 AFAERN CS/C=C\CCC/C=C(\C)CO 307989709 572347008 /nfs/dbraw/zinc/34/70/08/572347008.db2.gz VTKKOPINNRNRJQ-GOOBONSCSA-N 0 0 186.320 2.972 10 0 AFAERN Nc1cccc2c1oc1c(O)cccc12 238641376 572347032 /nfs/dbraw/zinc/34/70/32/572347032.db2.gz HAJCLZNJDSLLAE-UHFFFAOYSA-N 0 0 199.209 2.874 10 0 AFAERN CC/C=C\CCC1=C[C@H](O)CC1 307990638 572347651 /nfs/dbraw/zinc/34/76/51/572347651.db2.gz WNCLJMSHQOYTFC-DLRQAJBASA-N 0 0 166.264 2.814 10 0 AFAERN CC[C@@H](C(=O)OC)c1sccc1C 87019150 572347222 /nfs/dbraw/zinc/34/72/22/572347222.db2.gz JOLJIFZRFVOBLC-MRVPVSSYSA-N 0 0 198.287 2.723 10 0 AFAERN Nc1cccc2c3c(cnc12)CCCC3 238641242 572347233 /nfs/dbraw/zinc/34/72/33/572347233.db2.gz POJLMUXEQAAEHN-UHFFFAOYSA-N 0 0 198.269 2.696 10 0 AFAERN C[C@H](O)CCc1ccccc1C1CC1 87014904 572347385 /nfs/dbraw/zinc/34/73/85/572347385.db2.gz NIXKQRVZVJCJMU-JTQLQIEISA-N 0 0 190.286 2.877 10 0 AFAERN CC(C)=C1CC[C@H](C)C[C@@H]1OCCO 196616130 572347388 /nfs/dbraw/zinc/34/73/88/572347388.db2.gz CRZBODXJIGEPTH-JQWIXIFHSA-N 0 0 198.306 2.520 10 0 AFAERN CCCCC[C@@H]1CC=CC(=S)N1 238218898 572347431 /nfs/dbraw/zinc/34/74/31/572347431.db2.gz GYQIRIWTIOGZCQ-SECBINFHSA-N 0 0 183.320 2.812 10 0 AFAERN CC(C)=C[C@H]1CC(C)(C)C1=O 196617843 572347448 /nfs/dbraw/zinc/34/74/48/572347448.db2.gz RAOXZKIXQWPTTK-QMMMGPOBSA-N 0 0 152.237 2.568 10 0 AFAERN CC[C@H]1Cc2c(F)cc(C)cc2C1=O 714377491 572347484 /nfs/dbraw/zinc/34/74/84/572347484.db2.gz IAZIJWBLANEXCA-QMMMGPOBSA-N 0 0 192.233 2.899 10 0 AFAERN CCCCC[C@@H](O)/C=C/C=C/OC 238217524 572347532 /nfs/dbraw/zinc/34/75/32/572347532.db2.gz GMQVSDXRFHMQCP-XGVUUOMWSA-N 0 0 184.279 2.644 10 0 AFAERN CCC/C=C/NC(=O)OCCCC 238217756 572347542 /nfs/dbraw/zinc/34/75/42/572347542.db2.gz USNMBFZSZBERFY-BQYQJAHWSA-N 0 0 185.267 2.827 10 0 AFAERN CCC/C=C/[C@H](CC)CCO 238217388 572347544 /nfs/dbraw/zinc/34/75/44/572347544.db2.gz XNNDDMWCDUJKEH-FGEFZZPRSA-N 0 0 156.269 2.751 10 0 AFAERN COc1cccc2c1NC[C@@H]2C1CC1 235007588 572347742 /nfs/dbraw/zinc/34/77/42/572347742.db2.gz RLSMVTMRJFTIFD-SNVBAGLBSA-N 0 0 189.258 2.614 10 0 AFAERN C/C=C\[C@@H](C)[C@@H](O)c1ccco1 307990471 572347750 /nfs/dbraw/zinc/34/77/50/572347750.db2.gz WBQMAUFTXIFWJL-SRIDUCRUSA-N 0 0 166.220 2.525 10 0 AFAERN CS/C=C/CCC/C=C(\C)CO 307989710 572347767 /nfs/dbraw/zinc/34/77/67/572347767.db2.gz VTKKOPINNRNRJQ-NBANWCDVSA-N 0 0 186.320 2.972 10 0 AFAERN CCCCCC(=O)O[C@H]1C=CCC1 206077544 572347801 /nfs/dbraw/zinc/34/78/01/572347801.db2.gz WARIKYKMFKLMLF-JTQLQIEISA-N 0 0 182.263 2.829 10 0 AFAERN CCCCOC(=O)NC(CC)CC 238217348 572348518 /nfs/dbraw/zinc/34/85/18/572348518.db2.gz TYUPGWDTWGZDMS-UHFFFAOYSA-N 0 0 187.283 2.701 10 0 AFAERN CC/C=C(/OC(N)=O)c1ccccc1 238217551 572347927 /nfs/dbraw/zinc/34/79/27/572347927.db2.gz BTIDMFDMHLKZCL-UXBLZVDNSA-N 0 0 191.230 2.533 10 0 AFAERN CS/C=C\CCC/C=C(/C)CO 307989711 572347978 /nfs/dbraw/zinc/34/79/78/572347978.db2.gz VTKKOPINNRNRJQ-YOYBIJIWSA-N 0 0 186.320 2.972 10 0 AFAERN CCOC(C)(C)[C@H](O)CC1=CCCC1 400361923 572348323 /nfs/dbraw/zinc/34/83/23/572348323.db2.gz ARVKGRPZJHCCGS-LLVKDONJSA-N 0 0 198.306 2.663 10 0 AFAERN C[C@H](CCO)CCc1ccsc1 307990644 572348550 /nfs/dbraw/zinc/34/85/50/572348550.db2.gz WOGBTZWWUKENPZ-VIFPVBQESA-N 0 0 184.304 2.699 10 0 AFAERN C/C=C\C[C@]1(CO)CCC=C1C 307990465 572348656 /nfs/dbraw/zinc/34/86/56/572348656.db2.gz VZHHFTGAAWOEEW-DLRQAJBASA-N 0 0 166.264 2.671 10 0 AFAERN CC/C=C\CCC1=C[C@@H](O)CC1 307990637 572348674 /nfs/dbraw/zinc/34/86/74/572348674.db2.gz WNCLJMSHQOYTFC-BYCRGOAPSA-N 0 0 166.264 2.814 10 0 AFAERN CC(C)/C=C/C=C/CCCCO 238218316 572348945 /nfs/dbraw/zinc/34/89/45/572348945.db2.gz XTLHMPHKKMLWIP-WJDMQLPWSA-N 0 0 168.280 2.917 10 0 AFAERN CCOC(C)(C)[C@@H](O)CC1=CCCC1 400361924 572348953 /nfs/dbraw/zinc/34/89/53/572348953.db2.gz ARVKGRPZJHCCGS-NSHDSACASA-N 0 0 198.306 2.663 10 0 AFAERN O[C@H](C/C=C\Cl)Cc1ccccc1 307986286 572349107 /nfs/dbraw/zinc/34/91/07/572349107.db2.gz JYVFLBFYPFPNLK-LAUIRUGDSA-N 0 0 196.677 2.733 10 0 AFAERN C/C(=C\CCC(C)C)[C@H](C)CO 307986606 572349135 /nfs/dbraw/zinc/34/91/35/572349135.db2.gz SZJQKZSKSOWUQX-PFEDMVJOSA-N 0 0 170.296 2.997 10 0 AFAERN CC/C=C(/CCO)c1ccccc1 238217225 572349262 /nfs/dbraw/zinc/34/92/62/572349262.db2.gz BRRUHMKUGNKZRK-WDZFZDKYSA-N 0 0 176.259 2.862 10 0 AFAERN C/C(=C/C(C)C)CCCCO 238217414 572349325 /nfs/dbraw/zinc/34/93/25/572349325.db2.gz UVUXGWPSXTZWFR-NTMALXAHSA-N 0 0 156.269 2.751 10 0 AFAERN CCCCC[C@@H]1CC(=O)CC(C)(C)[NH2+]1 238218718 572349417 /nfs/dbraw/zinc/34/94/17/572349417.db2.gz SQMNSWOYWXKLRT-SNVBAGLBSA-N 0 0 197.322 2.666 10 0 AFAERN CCC[C@@H](C[C@H](C)O)c1ccccn1 238218689 572349596 /nfs/dbraw/zinc/34/95/96/572349596.db2.gz NCLNIEDKCFIMJY-QWRGUYRKSA-N 0 0 193.290 2.736 10 0 AFAERN CCC[C@@H](C[C@@H](C)O)c1ccccn1 238218315 572349678 /nfs/dbraw/zinc/34/96/78/572349678.db2.gz NCLNIEDKCFIMJY-MNOVXSKESA-N 0 0 193.290 2.736 10 0 AFAERN COc1cccc2c1NC[C@H]2C1CC1 235012401 572349752 /nfs/dbraw/zinc/34/97/52/572349752.db2.gz RLSMVTMRJFTIFD-JTQLQIEISA-N 0 0 189.258 2.614 10 0 AFAERN C/C=C/[C@H](C)[C@@H](O)/C(C)=C\CC 307985656 572349814 /nfs/dbraw/zinc/34/98/14/572349814.db2.gz SEXDBTXQVKHPAM-FBNGAHJPSA-N 0 0 168.280 2.916 10 0 AFAERN CC[C@H](/C=C/CC(C)C)CCO 307987719 572349968 /nfs/dbraw/zinc/34/99/68/572349968.db2.gz UBWRREUDWRLDTB-OKPNEXGHSA-N 0 0 170.296 2.997 10 0 AFAERN C/C=C\[C@H](C)[C@@H]1CCCC[C@H]1O 307987867 572350045 /nfs/dbraw/zinc/35/00/45/572350045.db2.gz UKFGFMAMFXGACF-RFPSCXSJSA-N 0 0 168.280 2.750 10 0 AFAERN C/C(=C/CCC(C)C)[C@H](C)CO 307986608 572350238 /nfs/dbraw/zinc/35/02/38/572350238.db2.gz SZJQKZSKSOWUQX-ZJRUKIMVSA-N 0 0 170.296 2.997 10 0 AFAERN NC(=O)CCCCC1=CCCCC1 238641687 572350268 /nfs/dbraw/zinc/35/02/68/572350268.db2.gz HMSZOLNVSBRJLW-UHFFFAOYSA-N 0 0 181.279 2.533 10 0 AFAERN CC[C@H](/C=C\CC(C)C)CCO 307987716 572350328 /nfs/dbraw/zinc/35/03/28/572350328.db2.gz UBWRREUDWRLDTB-JPVGGKMYSA-N 0 0 170.296 2.997 10 0 AFAERN CC(C)/C=C/[C@@H](CO)c1ccccc1 238219177 572350341 /nfs/dbraw/zinc/35/03/41/572350341.db2.gz JBMURHUHKJUIKZ-XEHSLEBBSA-N 0 0 190.286 2.975 10 0 AFAERN C/C=C/C=C\C(=O)O[C@@H](C)C(C)C 210328013 572350656 /nfs/dbraw/zinc/35/06/56/572350656.db2.gz KEBQTRUAENGEHV-AILJGOMRSA-N 0 0 182.263 2.706 10 0 AFAERN O[C@@H](C/C=C\Cl)Cc1ccccc1 307986289 572350534 /nfs/dbraw/zinc/35/05/34/572350534.db2.gz JYVFLBFYPFPNLK-OHYQPGSNSA-N 0 0 196.677 2.733 10 0 AFAERN C/C=C/C=C\[C@H](C)[C@H](O)C(C)C 307986550 572350586 /nfs/dbraw/zinc/35/05/86/572350586.db2.gz SVCPSUJXMBQZFI-HJAGJCFQSA-N 0 0 168.280 2.772 10 0 AFAERN CCCC[C@H](/C=C/[C@H](C)O)SC 307985727 572350691 /nfs/dbraw/zinc/35/06/91/572350691.db2.gz SPLLAIKMAQWIAL-ACMYFRETSA-N 0 0 188.336 2.845 10 0 AFAERN CCCC[C@H](/C=C\[C@H](C)O)SC 307985728 572350710 /nfs/dbraw/zinc/35/07/10/572350710.db2.gz SPLLAIKMAQWIAL-ZTXJHGQBSA-N 0 0 188.336 2.845 10 0 AFAERN NC(=O)CCCCCC1=CCCCC1 238641793 572350733 /nfs/dbraw/zinc/35/07/33/572350733.db2.gz AOUWPXWGADKLCX-UHFFFAOYSA-N 0 0 195.306 2.923 10 0 AFAERN C/C=C\[C@H](C)[C@H]1CCCC[C@@H]1O 307987863 572350847 /nfs/dbraw/zinc/35/08/47/572350847.db2.gz UKFGFMAMFXGACF-CVTGDMETSA-N 0 0 168.280 2.750 10 0 AFAERN C/C=C\[C@H](C)[C@@H](O)/C(C)=C/CC 307985657 572351175 /nfs/dbraw/zinc/35/11/75/572351175.db2.gz SEXDBTXQVKHPAM-HJUZLIKZSA-N 0 0 168.280 2.916 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@H]1CC1(C)C 713693090 572351282 /nfs/dbraw/zinc/35/12/82/572351282.db2.gz GJCAIOBXJOVAFI-PVTPVBHGSA-N 0 0 180.291 2.916 10 0 AFAERN C/C=C\[C@H](C)[C@@H]1CCCC[C@@H]1O 307987860 572351411 /nfs/dbraw/zinc/35/14/11/572351411.db2.gz UKFGFMAMFXGACF-BZQFPTSOSA-N 0 0 168.280 2.750 10 0 AFAERN C/C=C/C=C/[C@H](C)[C@H](O)C(C)C 307986557 572351601 /nfs/dbraw/zinc/35/16/01/572351601.db2.gz SVCPSUJXMBQZFI-QCLOFWFKSA-N 0 0 168.280 2.772 10 0 AFAERN C/C=C/C=C\[C@@H](C)[C@@H](O)C(C)C 307986543 572351665 /nfs/dbraw/zinc/35/16/65/572351665.db2.gz SVCPSUJXMBQZFI-HCSMNPDNSA-N 0 0 168.280 2.772 10 0 AFAERN C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CC 307985655 572351737 /nfs/dbraw/zinc/35/17/37/572351737.db2.gz SEXDBTXQVKHPAM-CQSVWGFXSA-N 0 0 168.280 2.916 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@@H]1CC1(C)C 713693092 572351890 /nfs/dbraw/zinc/35/18/90/572351890.db2.gz GJCAIOBXJOVAFI-PZIAFJOJSA-N 0 0 180.291 2.916 10 0 AFAERN C/C=C\[C@H](C)[C@@H](O)/C(C)=C\CC 307985658 572351957 /nfs/dbraw/zinc/35/19/57/572351957.db2.gz SEXDBTXQVKHPAM-ZMIXBHMFSA-N 0 0 168.280 2.916 10 0 AFAERN COC[C@H](C)[C@H](O)C1=CCCCCC1 234699020 572352097 /nfs/dbraw/zinc/35/20/97/572352097.db2.gz DCYNYWOFZIQPFH-JQWIXIFHSA-N 0 0 198.306 2.520 10 0 AFAERN C/C(=C/c1ccc(F)c(C)c1)[C@@H](C)O 393691311 572352617 /nfs/dbraw/zinc/35/26/17/572352617.db2.gz ULKLCJSNIAISIT-BJPMOSCESA-N 0 0 194.249 2.918 10 0 AFAERN Cc1cc(C2CCC2)co1 76573445 572352733 /nfs/dbraw/zinc/35/27/33/572352733.db2.gz BNEIBFIHJRYLOG-UHFFFAOYSA-N 0 0 136.194 2.856 10 0 AFAERN C=COCCSc1ccccc1N 238646188 572352985 /nfs/dbraw/zinc/35/29/85/572352985.db2.gz LRJBDZUCJLWLNE-UHFFFAOYSA-N 0 0 195.287 2.521 10 0 AFAERN CC[C@@H](F)CSCc1ccno1 307988925 572353026 /nfs/dbraw/zinc/35/30/26/572353026.db2.gz SGTBUPMNIYQLSY-SSDOTTSWSA-N 0 0 189.255 2.656 10 0 AFAERN Cc1cc(NC(C)C)ccc1C=O 140989194 572353118 /nfs/dbraw/zinc/35/31/18/572353118.db2.gz VPELXINTLBKJAX-UHFFFAOYSA-N 0 0 177.247 2.628 10 0 AFAERN CC[C@H](F)CSCc1ccno1 307988926 572355141 /nfs/dbraw/zinc/35/51/41/572355141.db2.gz SGTBUPMNIYQLSY-ZETCQYMHSA-N 0 0 189.255 2.656 10 0 AFAERN Nc1ccc(F)c2c1-c1ccccc1C2 238646400 572353281 /nfs/dbraw/zinc/35/32/81/572353281.db2.gz YHCMVLPOPUIQFZ-UHFFFAOYSA-N 0 0 199.228 2.979 10 0 AFAERN C=C/C=C/CC[C@@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 713694062 572353361 /nfs/dbraw/zinc/35/33/61/572353361.db2.gz JYDWNYFCMYURPN-YYNAWBCSSA-N 0 0 192.302 2.916 10 0 AFAERN Cc1cc2c(c(O)c1C)CCCC2 140954319 572353387 /nfs/dbraw/zinc/35/33/87/572353387.db2.gz VIYLBRQZSSUIAD-UHFFFAOYSA-N 0 0 176.259 2.888 10 0 AFAERN C=C/C=C\CC[C@@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 713694060 572353512 /nfs/dbraw/zinc/35/35/12/572353512.db2.gz JYDWNYFCMYURPN-PAWKGDJFSA-N 0 0 192.302 2.916 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 713694054 572353735 /nfs/dbraw/zinc/35/37/35/572353735.db2.gz JYDWNYFCMYURPN-GPSBWOBNSA-N 0 0 192.302 2.916 10 0 AFAERN Cc1cc2c(cc1C)[C@H](O)C[C@@H]2C 140963424 572353935 /nfs/dbraw/zinc/35/39/35/572353935.db2.gz FPPJCUNFNUUQHG-JOYOIKCWSA-N 0 0 176.259 2.844 10 0 AFAERN C=C/C=C\CC[C@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 713694056 572353994 /nfs/dbraw/zinc/35/39/94/572353994.db2.gz JYDWNYFCMYURPN-IRUXQSIJSA-N 0 0 192.302 2.916 10 0 AFAERN Cc1cc2c(cc1C)[C@@H](O)C[C@@H]2C 140963774 572354099 /nfs/dbraw/zinc/35/40/99/572354099.db2.gz FPPJCUNFNUUQHG-CABZTGNLSA-N 0 0 176.259 2.844 10 0 AFAERN Nc1ccccc1SCCCN=O 238646112 572354120 /nfs/dbraw/zinc/35/41/20/572354120.db2.gz SDTAJRWRVLPNHH-UHFFFAOYSA-N 0 0 196.275 2.517 10 0 AFAERN C/C=C/C(=O)N(C)CC1CCCCC1 87031624 572354209 /nfs/dbraw/zinc/35/42/09/572354209.db2.gz AZLNITVKZOHMIT-XVNBXDOJSA-N 0 0 195.306 2.601 10 0 AFAERN O=C1C[C@H]2CCC=CCC[C@@H]2C1 238644761 572354355 /nfs/dbraw/zinc/35/43/55/572354355.db2.gz PLKCFGVJRKAPIB-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CCCc1cnc(Cl)nc1Cl 140900230 572354371 /nfs/dbraw/zinc/35/43/71/572354371.db2.gz HHIRDTZXFLRFFM-UHFFFAOYSA-N 0 0 191.061 2.736 10 0 AFAERN CCCCSCC1(O)CCCC1 83588367 572354527 /nfs/dbraw/zinc/35/45/27/572354527.db2.gz WWKGGGVLSQHIKT-UHFFFAOYSA-N 0 0 188.336 2.825 10 0 AFAERN CC(C)[C@@]1(O)CC[C@H](C)C[C@@H]1C 222333496 572354558 /nfs/dbraw/zinc/35/45/58/572354558.db2.gz VABPCXAYGKMLOV-DCAQKATOSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CCC[C@H]([C@H](C)CCO)C1 140916943 572354717 /nfs/dbraw/zinc/35/47/17/572354717.db2.gz HURQJMQJQXLCJE-MXWKQRLJSA-N 0 0 170.296 2.831 10 0 AFAERN CCC(=C=CCCCO)CC 238220300 572354982 /nfs/dbraw/zinc/35/49/82/572354982.db2.gz IZXHREOOKYGXAD-UHFFFAOYSA-N 0 0 154.253 2.660 10 0 AFAERN C=C=C(CCCO)c1ccccc1 238647632 572355188 /nfs/dbraw/zinc/35/51/88/572355188.db2.gz JRNISJYJRZKIER-UHFFFAOYSA-N 0 0 174.243 2.627 10 0 AFAERN O=C1C[C@H](c2ccccc2)c2cc[nH]c21 238643403 572355314 /nfs/dbraw/zinc/35/53/14/572355314.db2.gz TWZVZMXDLJWGJS-LLVKDONJSA-N 0 0 197.237 2.733 10 0 AFAERN C=C/C=C\CC[C@H](NN)C(CC)CC 713694405 572356103 /nfs/dbraw/zinc/35/61/03/572356103.db2.gz KSATXIYJNGTBHC-KRZKBDHCSA-N 0 0 196.338 2.777 10 0 AFAERN CCCCC[C@@H]1C[C@@H]1C(C)=O 238220694 572362867 /nfs/dbraw/zinc/36/28/67/572362867.db2.gz KXFZYAYYHLWGSN-NXEZZACHSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1coc(Br)c1 44120958 572355825 /nfs/dbraw/zinc/35/58/25/572355825.db2.gz XMZTWOUFCRJBPL-UHFFFAOYSA-N 0 0 175.025 2.605 10 0 AFAERN Cc1cc2c(cc1C)[C@H](C)C[C@@H]2O 140963591 572355965 /nfs/dbraw/zinc/35/59/65/572355965.db2.gz FPPJCUNFNUUQHG-SKDRFNHKSA-N 0 0 176.259 2.844 10 0 AFAERN OCCCC/C=C/Cc1ccccc1 238649357 572356069 /nfs/dbraw/zinc/35/60/69/572356069.db2.gz GCVBAKFDRJLGCV-GORDUTHDSA-N 0 0 190.286 2.948 10 0 AFAERN CC(C)[C@H](O)/C=C/C[Si](C)(C)C 238220389 572356090 /nfs/dbraw/zinc/35/60/90/572356090.db2.gz LWCUKLXRRLJPSV-VQCYPWCPSA-N 0 0 186.371 2.898 10 0 AFAERN CC[C@H](C)SCC1(O)CCCC1 83588315 572356200 /nfs/dbraw/zinc/35/62/00/572356200.db2.gz MDKQDLIDLVEKJK-VIFPVBQESA-N 0 0 188.336 2.823 10 0 AFAERN CC[C@@H](C)SCC1(O)CCCC1 83588312 572356512 /nfs/dbraw/zinc/35/65/12/572356512.db2.gz MDKQDLIDLVEKJK-SECBINFHSA-N 0 0 188.336 2.823 10 0 AFAERN Cc1cc2c(cc1C)[C@H](O)C[C@H]2C 140963262 572356609 /nfs/dbraw/zinc/35/66/09/572356609.db2.gz FPPJCUNFNUUQHG-BXKDBHETSA-N 0 0 176.259 2.844 10 0 AFAERN CCC(=C=CC(=O)NC(C)(C)C)CC 238220283 572357177 /nfs/dbraw/zinc/35/71/77/572357177.db2.gz VYEVRNHCARJBKS-UHFFFAOYSA-N 0 0 195.306 2.803 10 0 AFAERN O=C1Nc2ccccc2[C@H]2CC=CC[C@@H]12 238668804 572357284 /nfs/dbraw/zinc/35/72/84/572357284.db2.gz YEDPLJOGJOVPJT-MWLCHTKSSA-N 0 0 199.253 2.689 10 0 AFAERN O=C1Nc2ccccc2[C@H]2C=CCC[C@@H]12 238668686 572357322 /nfs/dbraw/zinc/35/73/22/572357322.db2.gz ZLODPDOAEFNKDG-MWLCHTKSSA-N 0 0 199.253 2.689 10 0 AFAERN O=C1Nc2ccccc2[C@@H]2CC=CC[C@H]12 238668282 572357340 /nfs/dbraw/zinc/35/73/40/572357340.db2.gz YEDPLJOGJOVPJT-ONGXEEELSA-N 0 0 199.253 2.689 10 0 AFAERN O=C1Nc2ccccc2[C@H]2CC=CC[C@H]12 238668781 572357437 /nfs/dbraw/zinc/35/74/37/572357437.db2.gz YEDPLJOGJOVPJT-KOLCDFICSA-N 0 0 199.253 2.689 10 0 AFAERN CC(C)CSCC1(O)CCCC1 83588296 572357537 /nfs/dbraw/zinc/35/75/37/572357537.db2.gz GDYITRRFGJFHPM-UHFFFAOYSA-N 0 0 188.336 2.681 10 0 AFAERN c1cc(C2SCCCS2)ccn1 140972913 572357729 /nfs/dbraw/zinc/35/77/29/572357729.db2.gz IKUXMOZZRCCZOO-UHFFFAOYSA-N 0 0 197.328 2.950 10 0 AFAERN O=C1Nc2ccccc2[C@@H]2CC=CC[C@@H]12 238668302 572357771 /nfs/dbraw/zinc/35/77/71/572357771.db2.gz YEDPLJOGJOVPJT-GXSJLCMTSA-N 0 0 199.253 2.689 10 0 AFAERN C=C=CCC[C@H](O)c1ccccc1 238664684 572358041 /nfs/dbraw/zinc/35/80/41/572358041.db2.gz IJTJPZQTSYMWSK-LBPRGKRZSA-N 0 0 174.243 2.841 10 0 AFAERN O=C1Nc2ccccc2[C@@H]2C=CCC[C@H]12 238668143 572358046 /nfs/dbraw/zinc/35/80/46/572358046.db2.gz ZLODPDOAEFNKDG-ONGXEEELSA-N 0 0 199.253 2.689 10 0 AFAERN CCc1c(C=O)oc2c1CCCC2 140968551 572358058 /nfs/dbraw/zinc/35/80/58/572358058.db2.gz JMPCONOCXBZNKJ-UHFFFAOYSA-N 0 0 178.231 2.533 10 0 AFAERN OC[C@H]1C=Cc2ccc3ccccc3c21 238669292 572358116 /nfs/dbraw/zinc/35/81/16/572358116.db2.gz UIPNLMUXZAGTRY-GFCCVEGCSA-N 0 0 196.249 2.943 10 0 AFAERN O=C1Nc2ccccc2[C@@H]2C=CCC[C@@H]12 238668174 572358171 /nfs/dbraw/zinc/35/81/71/572358171.db2.gz ZLODPDOAEFNKDG-GXSJLCMTSA-N 0 0 199.253 2.689 10 0 AFAERN O=C1Nc2ccccc2[C@H]2C=CCC[C@H]12 238668660 572358194 /nfs/dbraw/zinc/35/81/94/572358194.db2.gz ZLODPDOAEFNKDG-KOLCDFICSA-N 0 0 199.253 2.689 10 0 AFAERN O[C@H]1CCC=Cn2c1cc1ccccc12 238664238 572358235 /nfs/dbraw/zinc/35/82/35/572358235.db2.gz XMNNJZTVXWNDEQ-ZDUSSCGKSA-N 0 0 199.253 2.939 10 0 AFAERN C=C=CCCC[C@H](O)c1ccco1 238666558 572358306 /nfs/dbraw/zinc/35/83/06/572358306.db2.gz CGJPGIZIUXPJNS-JTQLQIEISA-N 0 0 178.231 2.824 10 0 AFAERN Cc1cc([C@H](O)CC(C)(C)C)ccn1 713242320 572358627 /nfs/dbraw/zinc/35/86/27/572358627.db2.gz LXDHICHPFUWZPA-LLVKDONJSA-N 0 0 193.290 2.860 10 0 AFAERN O[C@H]1CCC2=CC=CC3=CC=CC1=C2C3 238658623 572358868 /nfs/dbraw/zinc/35/88/68/572358868.db2.gz LQHGSKQYNDSCLE-AWEZNQCLSA-N 0 0 198.265 2.820 10 0 AFAERN C=C/C=C\CC[C@@H](NN)C(CC)CC 713694428 572358917 /nfs/dbraw/zinc/35/89/17/572358917.db2.gz KSATXIYJNGTBHC-QDZRJHCZSA-N 0 0 196.338 2.777 10 0 AFAERN N[C@H](CCC1CCCC1)C(F)(F)F 238656912 572359340 /nfs/dbraw/zinc/35/93/40/572359340.db2.gz CDVRJJWDWFQOLM-MRVPVSSYSA-N 0 0 195.228 2.846 10 0 AFAERN OCC[C@H]1C=CCCCCC1 238658693 572359506 /nfs/dbraw/zinc/35/95/06/572359506.db2.gz YWELSXRVQRMXPP-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN c1csc(NC2CCC2)c1 76589692 572359587 /nfs/dbraw/zinc/35/95/87/572359587.db2.gz INFICEMZVRTPDI-UHFFFAOYSA-N 0 0 153.250 2.713 10 0 AFAERN OCCCCCSc1ccco1 238658244 572359626 /nfs/dbraw/zinc/35/96/26/572359626.db2.gz VAPMAVKTUBRRAG-UHFFFAOYSA-N 0 0 186.276 2.534 10 0 AFAERN CCC[C@](O)(CC(C)C)C1CC1 307997391 572361286 /nfs/dbraw/zinc/36/12/86/572361286.db2.gz CXFPREROONPBPW-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(C(C)C)c(C=O)o1 76589324 572359839 /nfs/dbraw/zinc/35/98/39/572359839.db2.gz QURDPKNCLNKRDS-UHFFFAOYSA-N 0 0 152.193 2.524 10 0 AFAERN CCSN(C(C)=O)c1ccccc1 307997862 572360112 /nfs/dbraw/zinc/36/01/12/572360112.db2.gz PERJJNRLFDSLJT-UHFFFAOYSA-N 0 0 195.287 2.708 10 0 AFAERN CCCCc1cnccc1C 39409644 572360650 /nfs/dbraw/zinc/36/06/50/572360650.db2.gz FXYHLZDSTHBSDP-UHFFFAOYSA-N 0 0 149.237 2.733 10 0 AFAERN CSC1([C@@H](O)CC(C)C)CCC1 307998129 572360678 /nfs/dbraw/zinc/36/06/78/572360678.db2.gz DXOYBOHPYFBQOP-VIFPVBQESA-N 0 0 188.336 2.679 10 0 AFAERN CCC(CC)[C@@H](O)C1(SC)CC1 307997741 572360707 /nfs/dbraw/zinc/36/07/07/572360707.db2.gz DGEYCZFJBBVUGE-SECBINFHSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1cc([C@@H](O)CC(C)(C)C)ccn1 713242324 572361069 /nfs/dbraw/zinc/36/10/69/572361069.db2.gz LXDHICHPFUWZPA-NSHDSACASA-N 0 0 193.290 2.860 10 0 AFAERN C=C/C=C\[C@@H]1CCCC[C@@H]1CO 307998056 572361413 /nfs/dbraw/zinc/36/14/13/572361413.db2.gz DOXYLTRQHXHRLT-KQLCGWBMSA-N 0 0 166.264 2.527 10 0 AFAERN CSC1([C@H](O)CC(C)C)CCC1 307998128 572361665 /nfs/dbraw/zinc/36/16/65/572361665.db2.gz DXOYBOHPYFBQOP-SECBINFHSA-N 0 0 188.336 2.679 10 0 AFAERN CC(=O)C[C@H](C)Sc1ccncc1 87110475 572361727 /nfs/dbraw/zinc/36/17/27/572361727.db2.gz ULAJFVZXDAKKRX-VIFPVBQESA-N 0 0 195.287 2.541 10 0 AFAERN O[C@@H](CCC1CCCC1)C(F)(F)F 238663133 572362047 /nfs/dbraw/zinc/36/20/47/572362047.db2.gz ZBMOEBNPLJOWBG-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN CC(=O)C[C@@H](C)Sc1ccncc1 87110476 572362059 /nfs/dbraw/zinc/36/20/59/572362059.db2.gz ULAJFVZXDAKKRX-SECBINFHSA-N 0 0 195.287 2.541 10 0 AFAERN CCC/C=C/CCn1ccnc1 307998007 572362169 /nfs/dbraw/zinc/36/21/69/572362169.db2.gz XNVVQHBFRRFIQR-SNAWJCMRSA-N 0 0 164.252 2.630 10 0 AFAERN C=C/C=C/CCC(=O)[C@]1(C)C[C@H]1F 713695926 572362282 /nfs/dbraw/zinc/36/22/82/572362282.db2.gz PRLLHIXNOVNYSH-ANNNZRCOSA-N 0 0 182.238 2.826 10 0 AFAERN C=C/C=C/CCC(=O)[C@]1(C)C[C@@H]1F 713695910 572362406 /nfs/dbraw/zinc/36/24/06/572362406.db2.gz PRLLHIXNOVNYSH-ALWPCLGOSA-N 0 0 182.238 2.826 10 0 AFAERN C=C/C=C\CCC(=O)[C@]1(C)C[C@H]1F 713695935 572362866 /nfs/dbraw/zinc/36/28/66/572362866.db2.gz PRLLHIXNOVNYSH-RDJHYZAGSA-N 0 0 182.238 2.826 10 0 AFAERN C=C/C=C\[C@@H]1CCCC[C@H]1CO 307998055 572363073 /nfs/dbraw/zinc/36/30/73/572363073.db2.gz DOXYLTRQHXHRLT-APUFIWCYSA-N 0 0 166.264 2.527 10 0 AFAERN CCCC[C@@H](C(=O)OC)c1ccoc1 87109161 572363231 /nfs/dbraw/zinc/36/32/31/572363231.db2.gz BIHCSJXHIHPOHN-SNVBAGLBSA-N 0 0 196.246 2.726 10 0 AFAERN CCCC[C@H](C(=O)OC)c1ccoc1 87109160 572363358 /nfs/dbraw/zinc/36/33/58/572363358.db2.gz BIHCSJXHIHPOHN-JTQLQIEISA-N 0 0 196.246 2.726 10 0 AFAERN C=C/C=C\CCC(=O)[C@]1(C)C[C@@H]1F 713695938 572363743 /nfs/dbraw/zinc/36/37/43/572363743.db2.gz PRLLHIXNOVNYSH-ZDTBXWBLSA-N 0 0 182.238 2.826 10 0 AFAERN CSC1([C@H](O)CCC(C)C)CC1 307998588 572364406 /nfs/dbraw/zinc/36/44/06/572364406.db2.gz FDQQRDIRQBDULU-SECBINFHSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1c(F)ccc2cnc(Cl)nc12 141020494 572364456 /nfs/dbraw/zinc/36/44/56/572364456.db2.gz NJPMPIGZFJUSIM-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN c1cncc(Cc2cccs2)c1 39473919 572364549 /nfs/dbraw/zinc/36/45/49/572364549.db2.gz LKQJRFLKRMSMHL-UHFFFAOYSA-N 0 0 175.256 2.734 10 0 AFAERN Cc1c(Cl)ccc2[nH]c(CO)cc12 140999184 572364603 /nfs/dbraw/zinc/36/46/03/572364603.db2.gz CTIBBVJHWXOECF-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CC/C(=C/[C@H](C)C(C)(C)C)CO 307999432 572364635 /nfs/dbraw/zinc/36/46/35/572364635.db2.gz FWGOREGJNGEGNB-CBFJXKFUSA-N 0 0 170.296 2.997 10 0 AFAERN Cc1cnc2c(c1)CCC[C@@H]2C 39439473 572364648 /nfs/dbraw/zinc/36/46/48/572364648.db2.gz FJLMUQATOGAZOB-VIFPVBQESA-N 0 0 161.248 2.830 10 0 AFAERN CC[C@H](CC1CC1)Nc1ncns1 83669092 572364698 /nfs/dbraw/zinc/36/46/98/572364698.db2.gz FOGXTFVPPOANLT-MRVPVSSYSA-N 0 0 197.307 2.529 10 0 AFAERN CCCC[C@@H](C)Nc1ncns1 83668401 572364710 /nfs/dbraw/zinc/36/47/10/572364710.db2.gz IAKPBQYDUTXQCW-SSDOTTSWSA-N 0 0 185.296 2.529 10 0 AFAERN CCCCCCC(=O)[C@H]1CCCO1 83710685 572365015 /nfs/dbraw/zinc/36/50/15/572365015.db2.gz YDBRRWZFTXZWRZ-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)(C)CCC(=O)[C@@H]1CCCO1 83710694 572365028 /nfs/dbraw/zinc/36/50/28/572365028.db2.gz HKQAYIONIKPCAK-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CC/C(=C/[C@@H](C)C(C)(C)C)CO 307999448 572365059 /nfs/dbraw/zinc/36/50/59/572365059.db2.gz FWGOREGJNGEGNB-SBMLRHLQSA-N 0 0 170.296 2.997 10 0 AFAERN CCC[C@@H](C)CC(=O)[C@@H]1CCCO1 83710888 572365067 /nfs/dbraw/zinc/36/50/67/572365067.db2.gz XREPPBGTBQUKNU-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)/C=C(\CO)c1ccccc1 44198422 572365079 /nfs/dbraw/zinc/36/50/79/572365079.db2.gz AAZYWUSIQDJTDH-XYOKQWHBSA-N 0 0 176.259 2.718 10 0 AFAERN CCC(CC)[C@H](C)Nc1ncns1 83668986 572365145 /nfs/dbraw/zinc/36/51/45/572365145.db2.gz ZZQCSDVUJNBFOJ-ZETCQYMHSA-N 0 0 199.323 2.775 10 0 AFAERN CC/C(=C\[C@@H](C)C(C)(C)C)CO 307999454 572365301 /nfs/dbraw/zinc/36/53/01/572365301.db2.gz FWGOREGJNGEGNB-YIXGCBLDSA-N 0 0 170.296 2.997 10 0 AFAERN CCC[C@H](C)CC(=O)[C@@H]1CCCO1 83710890 572365306 /nfs/dbraw/zinc/36/53/06/572365306.db2.gz XREPPBGTBQUKNU-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN C1CCc2c(oc3c2CCC3)C1 76594362 572365343 /nfs/dbraw/zinc/36/53/43/572365343.db2.gz WSURAWWBVSIRAB-UHFFFAOYSA-N 0 0 162.232 2.647 10 0 AFAERN CCC[C@H](CC)Nc1ncns1 83668342 572365347 /nfs/dbraw/zinc/36/53/47/572365347.db2.gz QSEGGRFNKSKPSD-ZETCQYMHSA-N 0 0 185.296 2.529 10 0 AFAERN CCCCCCNc1ncns1 83669164 572365402 /nfs/dbraw/zinc/36/54/02/572365402.db2.gz LUOVZFCKXXOHPQ-UHFFFAOYSA-N 0 0 185.296 2.530 10 0 AFAERN CCC(=C[C@@H]1C[C@@H]1C(C)=O)CC 238220806 572365463 /nfs/dbraw/zinc/36/54/63/572365463.db2.gz VKJJDBDSILVZBO-GHMZBOCLSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1cc(C2CCC2)c(C=O)o1 76594760 572365650 /nfs/dbraw/zinc/36/56/50/572365650.db2.gz GKJYNJGZMODWHA-UHFFFAOYSA-N 0 0 164.204 2.668 10 0 AFAERN CC/C(=C\[C@H](C)C(C)(C)C)CO 307999440 572365761 /nfs/dbraw/zinc/36/57/61/572365761.db2.gz FWGOREGJNGEGNB-HZAKCSEPSA-N 0 0 170.296 2.997 10 0 AFAERN CCCCC[C@@H]1C[C@@H]1CCCO 238220751 572365885 /nfs/dbraw/zinc/36/58/85/572365885.db2.gz CHHOPLRMYNOWNV-MNOVXSKESA-N 0 0 170.296 2.975 10 0 AFAERN CSC1([C@@H](O)CCC(C)C)CC1 307998589 572366048 /nfs/dbraw/zinc/36/60/48/572366048.db2.gz FDQQRDIRQBDULU-VIFPVBQESA-N 0 0 188.336 2.679 10 0 AFAERN CCCCC(=O)OC1(C)CCC1 307998891 572366134 /nfs/dbraw/zinc/36/61/34/572366134.db2.gz YBTCYQJCGXGYGP-UHFFFAOYSA-N 0 0 170.252 2.662 10 0 AFAERN CCC(=C[C@@H]1C[C@H]1C(C)=O)CC 238220818 572366325 /nfs/dbraw/zinc/36/63/25/572366325.db2.gz VKJJDBDSILVZBO-MNOVXSKESA-N 0 0 166.264 2.958 10 0 AFAERN CCC[C@@H](CC)Nc1ncns1 83668340 572366401 /nfs/dbraw/zinc/36/64/01/572366401.db2.gz QSEGGRFNKSKPSD-SSDOTTSWSA-N 0 0 185.296 2.529 10 0 AFAERN Cc1cc(C=O)c(Cl)s1 76593844 572366660 /nfs/dbraw/zinc/36/66/60/572366660.db2.gz FOHRJSJKSOCUQV-UHFFFAOYSA-N 0 0 160.625 2.522 10 0 AFAERN OCC[C@@H]1C=CCCCCC1 238673037 572366525 /nfs/dbraw/zinc/36/65/25/572366525.db2.gz YWELSXRVQRMXPP-SNVBAGLBSA-N 0 0 154.253 2.505 10 0 AFAERN CC(C)CC[C@H](C)Nc1ncns1 83669014 572366604 /nfs/dbraw/zinc/36/66/04/572366604.db2.gz WNSMNKFOTGWWRQ-QMMMGPOBSA-N 0 0 199.323 2.775 10 0 AFAERN CCC[C@H](C)CC(=O)C1CCOCC1 83719181 572369207 /nfs/dbraw/zinc/36/92/07/572369207.db2.gz VEIOTRJYGYQSCI-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN CCc1nsc(NC[C@H](C)CC)n1 83668658 572366684 /nfs/dbraw/zinc/36/66/84/572366684.db2.gz HFIHTMKSVURRCO-SSDOTTSWSA-N 0 0 199.323 2.559 10 0 AFAERN Cc1coc2cc(C=O)ccc12 76593643 572366765 /nfs/dbraw/zinc/36/67/65/572366765.db2.gz RZCWHZIWTKHYNB-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN CCCC[C@H](C)Nc1ncns1 83668403 572366785 /nfs/dbraw/zinc/36/67/85/572366785.db2.gz IAKPBQYDUTXQCW-ZETCQYMHSA-N 0 0 185.296 2.529 10 0 AFAERN C/C(=C/CO)[C@@H](F)CCC(C)C 307993353 572366863 /nfs/dbraw/zinc/36/68/63/572366863.db2.gz ZFSYAURQHCXOFC-MBACFSSFSA-N 0 0 174.259 2.699 10 0 AFAERN CC(C)(C)CCC(=O)[C@H]1CCCO1 83710695 572366934 /nfs/dbraw/zinc/36/69/34/572366934.db2.gz HKQAYIONIKPCAK-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCCC(=O)[C@@H]1CCCO1 83710684 572366965 /nfs/dbraw/zinc/36/69/65/572366965.db2.gz YDBRRWZFTXZWRZ-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)CC[C@@H](C)Nc1ncns1 83669012 572367058 /nfs/dbraw/zinc/36/70/58/572367058.db2.gz WNSMNKFOTGWWRQ-MRVPVSSYSA-N 0 0 199.323 2.775 10 0 AFAERN CCCCC[C@H](C)Nc1ncns1 83654333 572367142 /nfs/dbraw/zinc/36/71/42/572367142.db2.gz UJJRJPBWMMJDAM-QMMMGPOBSA-N 0 0 199.323 2.919 10 0 AFAERN Cc1c(CO)cccc1-c1ccco1 39433363 572367195 /nfs/dbraw/zinc/36/71/95/572367195.db2.gz HDUBPZGQLGOEFN-UHFFFAOYSA-N 0 0 188.226 2.747 10 0 AFAERN Cc1ccc(-c2ccccc2CO)o1 44198953 572367329 /nfs/dbraw/zinc/36/73/29/572367329.db2.gz ONVOJYVUNCZLHE-UHFFFAOYSA-N 0 0 188.226 2.747 10 0 AFAERN C/C(=C/CCC1CCCC1)CO 307993201 572367357 /nfs/dbraw/zinc/36/73/57/572367357.db2.gz YQSYNQJEULEYIV-YHYXMXQVSA-N 0 0 168.280 2.895 10 0 AFAERN Cc1cnc2c(c1)CCC[C@H]2C 39439472 572367741 /nfs/dbraw/zinc/36/77/41/572367741.db2.gz FJLMUQATOGAZOB-SECBINFHSA-N 0 0 161.248 2.830 10 0 AFAERN CCCCC(O)(C1CC1)C1CC1 308000736 572367766 /nfs/dbraw/zinc/36/77/66/572367766.db2.gz HBTPWUJOTYTLBX-UHFFFAOYSA-N 0 0 168.280 2.728 10 0 AFAERN CCC(CC)[C@@H](C)Nc1ncns1 83668984 572367823 /nfs/dbraw/zinc/36/78/23/572367823.db2.gz ZZQCSDVUJNBFOJ-SSDOTTSWSA-N 0 0 199.323 2.775 10 0 AFAERN CCC[C@H](C)CC(=O)[C@H]1CCCO1 83710894 572367830 /nfs/dbraw/zinc/36/78/30/572367830.db2.gz XREPPBGTBQUKNU-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CCC[C@@H](C)CC(=O)[C@H]1CCCO1 83710892 572367978 /nfs/dbraw/zinc/36/79/78/572367978.db2.gz XREPPBGTBQUKNU-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H](CC1CC1)Nc1ncns1 83669091 572368006 /nfs/dbraw/zinc/36/80/06/572368006.db2.gz FOGXTFVPPOANLT-QMMMGPOBSA-N 0 0 197.307 2.529 10 0 AFAERN OCC1=C2CC=CC=C2c2ccccc21 238672993 572368089 /nfs/dbraw/zinc/36/80/89/572368089.db2.gz XOLPDKHJWKDJID-UHFFFAOYSA-N 0 0 196.249 2.789 10 0 AFAERN CCc1nsc(NC[C@@H](C)CC)n1 83668656 572368124 /nfs/dbraw/zinc/36/81/24/572368124.db2.gz HFIHTMKSVURRCO-ZETCQYMHSA-N 0 0 199.323 2.559 10 0 AFAERN CCC(=C[C@H]1C[C@H]1C(C)=O)CC 238220887 572368243 /nfs/dbraw/zinc/36/82/43/572368243.db2.gz VKJJDBDSILVZBO-QWRGUYRKSA-N 0 0 166.264 2.958 10 0 AFAERN CCC(CC)Nc1cc(C)on1 76596752 572368264 /nfs/dbraw/zinc/36/82/64/572368264.db2.gz NGRROLNALMHZIH-UHFFFAOYSA-N 0 0 168.240 2.584 10 0 AFAERN CC1(C)CC[C@@H]2CC(=O)C[C@H]2C1 76595651 572368283 /nfs/dbraw/zinc/36/82/83/572368283.db2.gz PERLSFUIZGOJQC-BDAKNGLRSA-N 0 0 166.264 2.792 10 0 AFAERN C/C(=C/CO)[C@H](F)CCC(C)C 307993352 572368294 /nfs/dbraw/zinc/36/82/94/572368294.db2.gz ZFSYAURQHCXOFC-ABRRARGCSA-N 0 0 174.259 2.699 10 0 AFAERN Cc1oc(C=O)c(C(C)C)c1C 76595472 572368421 /nfs/dbraw/zinc/36/84/21/572368421.db2.gz BCESIOHDTHXUID-UHFFFAOYSA-N 0 0 166.220 2.832 10 0 AFAERN C/C(=C/Cl)CNOC1CCCC1 307993307 572368534 /nfs/dbraw/zinc/36/85/34/572368534.db2.gz YYYRENSVHWZECL-VURMDHGXSA-N 0 0 189.686 2.593 10 0 AFAERN C/C=C\[C@H](C)[C@H](O)C1CCCC1 307992683 572368736 /nfs/dbraw/zinc/36/87/36/572368736.db2.gz YHWUNDRLAVDHAA-ARCBZUMKSA-N 0 0 168.280 2.750 10 0 AFAERN CCCCC(=O)C(CC)(CC)CO 238222553 572368801 /nfs/dbraw/zinc/36/88/01/572368801.db2.gz BNGNPSNVLMCWBF-UHFFFAOYSA-N 0 0 186.295 2.544 10 0 AFAERN C/C=C\[C@H](C)[C@@H](O)C1CCCC1 307992684 572368925 /nfs/dbraw/zinc/36/89/25/572368925.db2.gz YHWUNDRLAVDHAA-YNSVHXLBSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@@H](F)CSCCOC(C)C 308000284 572368976 /nfs/dbraw/zinc/36/89/76/572368976.db2.gz ZAXRHAODNSUZPY-SECBINFHSA-N 0 0 194.315 2.893 10 0 AFAERN CC1(C)CC[C@H]2CC(=O)C[C@H]2C1 76595653 572369030 /nfs/dbraw/zinc/36/90/30/572369030.db2.gz PERLSFUIZGOJQC-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(CC)Nc1ncc(C)o1 76596754 572369103 /nfs/dbraw/zinc/36/91/03/572369103.db2.gz QNONRDKKPRVIST-UHFFFAOYSA-N 0 0 168.240 2.584 10 0 AFAERN CCCCCCC(=O)[C@@H]1CCOC1 83716024 572369152 /nfs/dbraw/zinc/36/91/52/572369152.db2.gz SZFQYIHLIFUWOV-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CC[C@H](F)CSCCOC(C)C 308000286 572369178 /nfs/dbraw/zinc/36/91/78/572369178.db2.gz ZAXRHAODNSUZPY-VIFPVBQESA-N 0 0 194.315 2.893 10 0 AFAERN C=C/C=C\CC[C@H](O)[C@@H]1C[C@H]1C1CC1 713697680 572369371 /nfs/dbraw/zinc/36/93/71/572369371.db2.gz WJCXJLWBSDJEAU-JRNXBESPSA-N 0 0 192.302 2.916 10 0 AFAERN CC(C)(C)CCC(=O)C1CCOCC1 83719092 572369442 /nfs/dbraw/zinc/36/94/42/572369442.db2.gz ZEADNJLVKRDVAY-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCCCCCC(=O)C1CCOCC1 83719091 572369638 /nfs/dbraw/zinc/36/96/38/572369638.db2.gz VAGDRNCZJZMBRZ-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@@H]1C[C@@H]1C1CC1 713697677 572369693 /nfs/dbraw/zinc/36/96/93/572369693.db2.gz WJCXJLWBSDJEAU-FWIQHPNGSA-N 0 0 192.302 2.916 10 0 AFAERN CC(C)(C)C[C@@H](O)c1ccc(F)cn1 713244090 572376665 /nfs/dbraw/zinc/37/66/65/572376665.db2.gz UKHVSIPUSOBFOS-SNVBAGLBSA-N 0 0 197.253 2.690 10 0 AFAERN CC1(C)CC[C@H]2CC(=O)C[C@@H]2C1 76595649 572370007 /nfs/dbraw/zinc/37/00/07/572370007.db2.gz PERLSFUIZGOJQC-DTWKUNHWSA-N 0 0 166.264 2.792 10 0 AFAERN O[C@@H](CCCCF)CC1CCC1 307994207 572370396 /nfs/dbraw/zinc/37/03/96/572370396.db2.gz AIFQJWWRGACVEC-JTQLQIEISA-N 0 0 174.259 2.677 10 0 AFAERN CC1(C)CC[C@@H]2CC(=O)C[C@@H]2C1 76595648 572370455 /nfs/dbraw/zinc/37/04/55/572370455.db2.gz PERLSFUIZGOJQC-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN C=C/C=C\CC[C@H](O)[C@@H]1C[C@@H]1C1CC1 713697679 572370508 /nfs/dbraw/zinc/37/05/08/572370508.db2.gz WJCXJLWBSDJEAU-ISVJBFRGSA-N 0 0 192.302 2.916 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@@H]1C[C@H]1C1CC1 713697682 572370922 /nfs/dbraw/zinc/37/09/22/572370922.db2.gz WJCXJLWBSDJEAU-UVHMRBEPSA-N 0 0 192.302 2.916 10 0 AFAERN Cc1cc(-c2cccnc2)c(C)cc1N 117055633 572371025 /nfs/dbraw/zinc/37/10/25/572371025.db2.gz YZBBFCTZISWSRQ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cnc2ccc3ccccc3n12 117059149 572371040 /nfs/dbraw/zinc/37/10/40/572371040.db2.gz ZILXJIXIRFEPRT-UHFFFAOYSA-N 0 0 182.226 2.796 10 0 AFAERN CCCCCC(=O)C1CCOCC1 83719176 572371151 /nfs/dbraw/zinc/37/11/51/572371151.db2.gz MNOBGAIOUBAAEJ-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN OCCS[C@H]1C=CCCCCC1 307993980 572371247 /nfs/dbraw/zinc/37/12/47/572371247.db2.gz ZTYNPVRQUVTUCD-JTQLQIEISA-N 0 0 186.320 2.601 10 0 AFAERN CCCCCCC(=O)[C@H]1CCOC1 83716025 572371500 /nfs/dbraw/zinc/37/15/00/572371500.db2.gz SZFQYIHLIFUWOV-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN O[C@H](CCCCF)CC1CCC1 307994218 572371593 /nfs/dbraw/zinc/37/15/93/572371593.db2.gz AIFQJWWRGACVEC-SNVBAGLBSA-N 0 0 174.259 2.677 10 0 AFAERN CCCCC[C@@H]1C[C@H]1CCCO 238221666 572371678 /nfs/dbraw/zinc/37/16/78/572371678.db2.gz CHHOPLRMYNOWNV-GHMZBOCLSA-N 0 0 170.296 2.975 10 0 AFAERN C[C@@H]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 76596822 572372107 /nfs/dbraw/zinc/37/21/07/572372107.db2.gz REYVOSWQMWCECV-GWOFURMSSA-N 0 0 168.280 2.584 10 0 AFAERN CCCCCC(=O)[C@H]1CCCOC1 83720605 572372141 /nfs/dbraw/zinc/37/21/41/572372141.db2.gz GJEBFGVZSQRSKL-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN CCCCC[C@H]1C=CCC(=S)N1 238222073 572372143 /nfs/dbraw/zinc/37/21/43/572372143.db2.gz MKDSJOQFRKYIPD-VIFPVBQESA-N 0 0 183.320 2.812 10 0 AFAERN CCC[C@H](C)CC(=O)[C@H]1CCCOC1 83720617 572372188 /nfs/dbraw/zinc/37/21/88/572372188.db2.gz QLLRXBLILCVTRO-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CCOC(/C=C\c1ccco1)OCC 206956519 572372245 /nfs/dbraw/zinc/37/22/45/572372245.db2.gz FLJLFVAOUQNCBB-FPLPWBNLSA-N 0 0 196.246 2.692 10 0 AFAERN CC(C)C(C(C)C)[C@@H](O)C(F)F 307994620 572372366 /nfs/dbraw/zinc/37/23/66/572372366.db2.gz ALLBMPZYKVZIKL-MRVPVSSYSA-N 0 0 180.238 2.541 10 0 AFAERN CC(C)(C)CCC(=O)[C@@H]1CCCOC1 83720406 572372507 /nfs/dbraw/zinc/37/25/07/572372507.db2.gz LPTLNWVJBVHQSG-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN CCC[C@@H](C)CC(=O)[C@H]1CCCOC1 83720615 572372613 /nfs/dbraw/zinc/37/26/13/572372613.db2.gz QLLRXBLILCVTRO-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN OCCS[C@@H]1C=CCCCCC1 307993982 572372652 /nfs/dbraw/zinc/37/26/52/572372652.db2.gz ZTYNPVRQUVTUCD-SNVBAGLBSA-N 0 0 186.320 2.601 10 0 AFAERN CC(C)=CCC[C@@H](C)C1OCCO1 44227683 572372667 /nfs/dbraw/zinc/37/26/67/572372667.db2.gz FOWVHPSGVWVMCL-SNVBAGLBSA-N 0 0 184.279 2.742 10 0 AFAERN CC/C=C/C[C@@H](O)Cc1ccccc1 238221749 572372708 /nfs/dbraw/zinc/37/27/08/572372708.db2.gz BSRVDPZCPLFWPH-MASHWEEQSA-N 0 0 190.286 2.946 10 0 AFAERN CCCC/C=C1\[C@H](C)CC[C@H]1O 307993818 572372715 /nfs/dbraw/zinc/37/27/15/572372715.db2.gz ZKXSBJGXJPCEKS-JMQBSKDBSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)C(C(C)C)[C@H](O)C(F)F 307994622 572372729 /nfs/dbraw/zinc/37/27/29/572372729.db2.gz ALLBMPZYKVZIKL-QMMMGPOBSA-N 0 0 180.238 2.541 10 0 AFAERN CC1=C(C2OCCO2)C(C)(C)CC=C1 44229578 572372765 /nfs/dbraw/zinc/37/27/65/572372765.db2.gz CZEPPNLTXAYSQV-UHFFFAOYSA-N 0 0 194.274 2.662 10 0 AFAERN CCCCCC(=O)[C@@H]1CCCOC1 83720603 572372798 /nfs/dbraw/zinc/37/27/98/572372798.db2.gz GJEBFGVZSQRSKL-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CC(C)(C)CCC(=O)[C@H]1CCCOC1 83720408 572373124 /nfs/dbraw/zinc/37/31/24/572373124.db2.gz LPTLNWVJBVHQSG-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)=CCC[C@H](C)C1OCCO1 44227678 572373154 /nfs/dbraw/zinc/37/31/54/572373154.db2.gz FOWVHPSGVWVMCL-JTQLQIEISA-N 0 0 184.279 2.742 10 0 AFAERN CCCCCCC(=O)[C@@H]1CCCOC1 83720395 572373328 /nfs/dbraw/zinc/37/33/28/572373328.db2.gz QRZDNSRBSWBOHF-LLVKDONJSA-N 0 0 198.306 2.953 10 0 AFAERN CC[C@@H](CCCCCF)[C@H](C)O 307996136 572373426 /nfs/dbraw/zinc/37/34/26/572373426.db2.gz CDHMKHDWQJAPSB-UWVGGRQHSA-N 0 0 176.275 2.923 10 0 AFAERN C/C=C/COC(=O)[C@@H](C)CCC 308002505 572373492 /nfs/dbraw/zinc/37/34/92/572373492.db2.gz BNOAZRCBRZWZPY-DNQSNQRASA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)C/C=C(\C(C)C)C1OCCO1 44229371 572373647 /nfs/dbraw/zinc/37/36/47/572373647.db2.gz XEWVIWDOSCSGBT-IZZDOVSWSA-N 0 0 198.306 2.988 10 0 AFAERN C/C=C\[C@H]([C@H](C)CO)[Si](C)(C)C 307996549 572373656 /nfs/dbraw/zinc/37/36/56/572373656.db2.gz CEZTZZUZYNANBZ-ITMFEAPISA-N 0 0 186.371 2.899 10 0 AFAERN CCC[C@@H](F)C(=O)[C@H](F)CCC 238221649 572373758 /nfs/dbraw/zinc/37/37/58/572373758.db2.gz HWICUPMPJHACFM-HTQZYQBOSA-N 0 0 178.222 2.832 10 0 AFAERN CCC[C@@H](C)CC(=O)[C@@H]1CCCOC1 83720611 572373851 /nfs/dbraw/zinc/37/38/51/572373851.db2.gz QLLRXBLILCVTRO-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN C/C=C/[C@H]([C@H](C)CO)[Si](C)(C)C 307996552 572373915 /nfs/dbraw/zinc/37/39/15/572373915.db2.gz CEZTZZUZYNANBZ-UHHSMLKOSA-N 0 0 186.371 2.899 10 0 AFAERN CC[C@H](CCCCCF)[C@@H](C)O 307996135 572373917 /nfs/dbraw/zinc/37/39/17/572373917.db2.gz CDHMKHDWQJAPSB-NXEZZACHSA-N 0 0 176.275 2.923 10 0 AFAERN CC/C=C\CC/C=C/C1OCCO1 44227723 572374138 /nfs/dbraw/zinc/37/41/38/572374138.db2.gz SZRFJZDUTQIRPQ-ODYTWBPASA-N 0 0 182.263 2.662 10 0 AFAERN CC[C@H](CCCCCF)[C@H](C)O 307996137 572374216 /nfs/dbraw/zinc/37/42/16/572374216.db2.gz CDHMKHDWQJAPSB-VHSXEESVSA-N 0 0 176.275 2.923 10 0 AFAERN Cc1cc(C)c(C2OCCO2)cc1C 44227890 572374437 /nfs/dbraw/zinc/37/44/37/572374437.db2.gz KHPAPBPIIRPKJJ-UHFFFAOYSA-N 0 0 192.258 2.657 10 0 AFAERN C/C=C/COC(=O)[C@H](C)CCC 308002511 572374554 /nfs/dbraw/zinc/37/45/54/572374554.db2.gz BNOAZRCBRZWZPY-OTQAPUNGSA-N 0 0 170.252 2.542 10 0 AFAERN CCC[C@H](C)CC(=O)[C@@H]1CCCOC1 83720613 572374634 /nfs/dbraw/zinc/37/46/34/572374634.db2.gz QLLRXBLILCVTRO-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CC/C=C\CCCCC1OCCO1 44228926 572374746 /nfs/dbraw/zinc/37/47/46/572374746.db2.gz DEWFPXIZXWZLFG-ARJAWSKDSA-N 0 0 184.279 2.886 10 0 AFAERN CCCCCCC(=O)[C@H]1CCCOC1 83720397 572374834 /nfs/dbraw/zinc/37/48/34/572374834.db2.gz QRZDNSRBSWBOHF-NSHDSACASA-N 0 0 198.306 2.953 10 0 AFAERN C/C=C/[C@H]([C@@H](C)CO)[Si](C)(C)C 307996550 572374894 /nfs/dbraw/zinc/37/48/94/572374894.db2.gz CEZTZZUZYNANBZ-LOSXEJPUSA-N 0 0 186.371 2.899 10 0 AFAERN CC(C)C(/C=C/[C@@H](C)O)C(C)C 307995536 572375184 /nfs/dbraw/zinc/37/51/84/572375184.db2.gz BRDAZGANLNTETR-VQCYPWCPSA-N 0 0 170.296 2.852 10 0 AFAERN CC(C)C(/C=C\[C@@H](C)O)C(C)C 307995535 572375226 /nfs/dbraw/zinc/37/52/26/572375226.db2.gz BRDAZGANLNTETR-JYESYGNLSA-N 0 0 170.296 2.852 10 0 AFAERN C/C=C\COC(=O)[C@@H](C)CCC 308002519 572375233 /nfs/dbraw/zinc/37/52/33/572375233.db2.gz BNOAZRCBRZWZPY-RNEXMXFGSA-N 0 0 170.252 2.542 10 0 AFAERN CC[C@@H](CCCCCF)[C@@H](C)O 307996138 572375278 /nfs/dbraw/zinc/37/52/78/572375278.db2.gz CDHMKHDWQJAPSB-ZJUUUORDSA-N 0 0 176.275 2.923 10 0 AFAERN CC/C=C/C[C@H](O)Cc1ccccc1 238222668 572375292 /nfs/dbraw/zinc/37/52/92/572375292.db2.gz BSRVDPZCPLFWPH-LQPUYASZSA-N 0 0 190.286 2.946 10 0 AFAERN COc1ccc2cc3n(c2c1)CCC3 141043619 572375482 /nfs/dbraw/zinc/37/54/82/572375482.db2.gz IXMIAWXUZUAUIN-UHFFFAOYSA-N 0 0 187.242 2.596 10 0 AFAERN O[C@@H](CCCCCCF)C1CC1 307996661 572375644 /nfs/dbraw/zinc/37/56/44/572375644.db2.gz CJSPSUVBMNBSHM-JTQLQIEISA-N 0 0 174.259 2.677 10 0 AFAERN CC(C)C(/C=C\[C@H](C)O)C(C)C 307995534 572375669 /nfs/dbraw/zinc/37/56/69/572375669.db2.gz BRDAZGANLNTETR-GFVADAIESA-N 0 0 170.296 2.852 10 0 AFAERN CC[C@@H](C)N(CC(F)F)C(C)C 308002641 572375676 /nfs/dbraw/zinc/37/56/76/572375676.db2.gz BPXLSTSRJXRNFT-MRVPVSSYSA-N 0 0 179.254 2.760 10 0 AFAERN CC(C)C(/C=C/[C@H](C)O)C(C)C 307995533 572375760 /nfs/dbraw/zinc/37/57/60/572375760.db2.gz BRDAZGANLNTETR-FGEFZZPRSA-N 0 0 170.296 2.852 10 0 AFAERN C/C=C\[C@H]([C@@H](C)CO)[Si](C)(C)C 307996551 572375800 /nfs/dbraw/zinc/37/58/00/572375800.db2.gz CEZTZZUZYNANBZ-SMWNKPDJSA-N 0 0 186.371 2.899 10 0 AFAERN CCC(C)(C)CC1(CO)CCC1 713243555 572375807 /nfs/dbraw/zinc/37/58/07/572375807.db2.gz SHNIXLOJRRWVKK-UHFFFAOYSA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@H](C)N(CC(F)F)C(C)C 308002643 572375817 /nfs/dbraw/zinc/37/58/17/572375817.db2.gz BPXLSTSRJXRNFT-QMMMGPOBSA-N 0 0 179.254 2.760 10 0 AFAERN C/C=C\COC(=O)[C@H](C)CCC 308002525 572375889 /nfs/dbraw/zinc/37/58/89/572375889.db2.gz BNOAZRCBRZWZPY-XTULLQBASA-N 0 0 170.252 2.542 10 0 AFAERN COc1c(C)c(C)c(C=O)c(C)c1C 196770615 572375980 /nfs/dbraw/zinc/37/59/80/572375980.db2.gz SYRYAJAKXUVWDC-UHFFFAOYSA-N 0 0 192.258 2.741 10 0 AFAERN CCCCCC[C@H](O)C(=O)C(C)C 238223840 572376024 /nfs/dbraw/zinc/37/60/24/572376024.db2.gz VFRFWUQMUAABAO-JTQLQIEISA-N 0 0 186.295 2.543 10 0 AFAERN C[C@@H](CO)C/C=C\c1ccccc1 206704301 572376030 /nfs/dbraw/zinc/37/60/30/572376030.db2.gz DKHVZRFQNNLHEB-YOOZJCNJSA-N 0 0 176.259 2.718 10 0 AFAERN O[C@H](CCCCCCF)C1CC1 307996665 572376135 /nfs/dbraw/zinc/37/61/35/572376135.db2.gz CJSPSUVBMNBSHM-SNVBAGLBSA-N 0 0 174.259 2.677 10 0 AFAERN CC(=O)CC(C(C)C)C(C)C 141086246 572376259 /nfs/dbraw/zinc/37/62/59/572376259.db2.gz NBGDRDAOWAVTRW-UHFFFAOYSA-N 0 0 156.269 2.894 10 0 AFAERN C[C@@]12C=CC[C@@](C)(CCC1)C2=O 196776931 572376314 /nfs/dbraw/zinc/37/63/14/572376314.db2.gz MPCTZXRLTKOPEF-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN C1=C2c3cccn3C[C@@H]2CCC1 196776380 572376398 /nfs/dbraw/zinc/37/63/98/572376398.db2.gz KAAMUIHUEDMQQC-VIFPVBQESA-N 0 0 159.232 2.685 10 0 AFAERN C1=C2c3cccn3C[C@H]2CCC1 196776371 572376421 /nfs/dbraw/zinc/37/64/21/572376421.db2.gz KAAMUIHUEDMQQC-SECBINFHSA-N 0 0 159.232 2.685 10 0 AFAERN CC/C=C/[C@@H](O)c1ccc(OC)cc1 238223827 572376437 /nfs/dbraw/zinc/37/64/37/572376437.db2.gz RVFKQVQKNYZAJC-ZYOFXKKJSA-N 0 0 192.258 2.695 10 0 AFAERN Cc1cc(COC(C)C)cc(C)c1O 196770821 572376463 /nfs/dbraw/zinc/37/64/63/572376463.db2.gz KNMMGPSDZLIQSZ-UHFFFAOYSA-N 0 0 194.274 2.934 10 0 AFAERN c1cc2n(c1)CC1=C2CCCC1 196776334 572376946 /nfs/dbraw/zinc/37/69/46/572376946.db2.gz OBGXGFOSPUAESY-UHFFFAOYSA-N 0 0 159.232 2.829 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)C1(C)CC1 308005903 572376994 /nfs/dbraw/zinc/37/69/94/572376994.db2.gz LMGCBLAZTFYZMH-UWVGGRQHSA-N 0 0 170.296 2.830 10 0 AFAERN CCCCCC[C@H](CO)CCOC 238222232 572377010 /nfs/dbraw/zinc/37/70/10/572377010.db2.gz RVRAVLSXRRJGHQ-NSHDSACASA-N 0 0 188.311 2.602 10 0 AFAERN CCCCS[C@@H]1CCC[C@]1(C)O 308003958 572377071 /nfs/dbraw/zinc/37/70/71/572377071.db2.gz KBWVHWGPIBXSSL-ZJUUUORDSA-N 0 0 188.336 2.823 10 0 AFAERN CCCCS[C@H]1CCC[C@]1(C)O 308003956 572377192 /nfs/dbraw/zinc/37/71/92/572377192.db2.gz KBWVHWGPIBXSSL-UWVGGRQHSA-N 0 0 188.336 2.823 10 0 AFAERN CC1(C)CC2=C(C1)[C@@H]1CC[C@@H](O)[C@@H]1C2 196776902 572377247 /nfs/dbraw/zinc/37/72/47/572377247.db2.gz IWEVAXFHWAKGLI-CKYFFXLPSA-N 0 0 192.302 2.894 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)C1(C)CC1 308005904 572377508 /nfs/dbraw/zinc/37/75/08/572377508.db2.gz LMGCBLAZTFYZMH-VHSXEESVSA-N 0 0 170.296 2.830 10 0 AFAERN CCC(CC)C/C(C)=C/CO 238224032 572377540 /nfs/dbraw/zinc/37/75/40/572377540.db2.gz RQGPAOAKNHCGLR-RMKNXTFCSA-N 0 0 156.269 2.751 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)C1(C)CC1 308005905 572377579 /nfs/dbraw/zinc/37/75/79/572377579.db2.gz LMGCBLAZTFYZMH-ZJUUUORDSA-N 0 0 170.296 2.830 10 0 AFAERN COc1cc(C)cc2c1CCCC2=O 141046695 572377665 /nfs/dbraw/zinc/37/76/65/572377665.db2.gz YTUAYXPBTHCZLU-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN C[Si](C)(C)c1ccc2[nH]ccc2c1 196773698 572377680 /nfs/dbraw/zinc/37/76/80/572377680.db2.gz YMVKUCPKOOLTDV-UHFFFAOYSA-N 0 0 189.334 2.713 10 0 AFAERN CC[C@@H](C)N(C)c1ccccc1O 141056092 572377762 /nfs/dbraw/zinc/37/77/62/572377762.db2.gz MMKSTKUPPLNRTD-SECBINFHSA-N 0 0 179.263 2.627 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)C1(C)CC1 308005902 572377910 /nfs/dbraw/zinc/37/79/10/572377910.db2.gz LMGCBLAZTFYZMH-NXEZZACHSA-N 0 0 170.296 2.830 10 0 AFAERN CCN(c1ccccc1O)C(C)C 141051772 572377918 /nfs/dbraw/zinc/37/79/18/572377918.db2.gz FCFPSFMLBUJTAT-UHFFFAOYSA-N 0 0 179.263 2.627 10 0 AFAERN CC[C@H](C)N(C)c1ccccc1O 141056290 572378006 /nfs/dbraw/zinc/37/80/06/572378006.db2.gz MMKSTKUPPLNRTD-VIFPVBQESA-N 0 0 179.263 2.627 10 0 AFAERN CC1(C)CC(C)(C)CC2(C1)OCCO2 141064291 572378141 /nfs/dbraw/zinc/37/81/41/572378141.db2.gz VFEUSCLLVJVSEQ-UHFFFAOYSA-N 0 0 198.306 2.966 10 0 AFAERN CCC(CC)CCCCCC(N)=O 238224168 572378207 /nfs/dbraw/zinc/37/82/07/572378207.db2.gz LTTQFBJKWAKMDJ-UHFFFAOYSA-N 0 0 185.311 2.858 10 0 AFAERN Oc1ccccc1C(F)(F)C(F)F 196768368 572378264 /nfs/dbraw/zinc/37/82/64/572378264.db2.gz FYMHBLNBWCTVFZ-UHFFFAOYSA-N 0 0 194.127 2.749 10 0 AFAERN C[C@@]12CC=C[C@@](C)(CCC1)C2=O 196776905 572378415 /nfs/dbraw/zinc/37/84/15/572378415.db2.gz MPCTZXRLTKOPEF-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)[C@@H](O)CCCCCCF 308002879 572378500 /nfs/dbraw/zinc/37/85/00/572378500.db2.gz IWRXEUKTCQJABG-JTQLQIEISA-N 0 0 176.275 2.923 10 0 AFAERN CC(C)(C)C[C@H](O)c1ccc(F)cn1 713244085 572378527 /nfs/dbraw/zinc/37/85/27/572378527.db2.gz UKHVSIPUSOBFOS-JTQLQIEISA-N 0 0 197.253 2.690 10 0 AFAERN CC1(C)CC2=C(C1)[C@@H]1CC[C@H](O)[C@@H]1C2 196776875 572378578 /nfs/dbraw/zinc/37/85/78/572378578.db2.gz IWEVAXFHWAKGLI-FOGDFJRCSA-N 0 0 192.302 2.894 10 0 AFAERN CCCN(CC)c1cc(C)ccc1N 87149586 572378719 /nfs/dbraw/zinc/37/87/19/572378719.db2.gz WDCYBICPAGAHCY-UHFFFAOYSA-N 0 0 192.306 2.814 10 0 AFAERN C1CC2(C1)C1C2C2C1C21CCC1 196935497 572378664 /nfs/dbraw/zinc/37/86/64/572378664.db2.gz NYOZGBDGFGQBFJ-UHFFFAOYSA-N 0 0 160.260 2.833 10 0 AFAERN CCCCS[C@H]1CCC[C@@]1(C)O 308003957 572378670 /nfs/dbraw/zinc/37/86/70/572378670.db2.gz KBWVHWGPIBXSSL-VHSXEESVSA-N 0 0 188.336 2.823 10 0 AFAERN CC(C)[C@H](O)CCCCCCF 308002880 572378962 /nfs/dbraw/zinc/37/89/62/572378962.db2.gz IWRXEUKTCQJABG-SNVBAGLBSA-N 0 0 176.275 2.923 10 0 AFAERN CCC(CC)[C@](O)(CC)C1CC1 87158809 572379375 /nfs/dbraw/zinc/37/93/75/572379375.db2.gz RQVSCTSPDAESIC-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C[C@H](C)[C@](C)(O)C1CC1 308005446 572379597 /nfs/dbraw/zinc/37/95/97/572379597.db2.gz LJQYDIDFKHUJTJ-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)OCc1ccnc(Cl)c1 52724361 572379955 /nfs/dbraw/zinc/37/99/55/572379955.db2.gz UUTVQZWUEMPZGK-UHFFFAOYSA-N 0 0 185.654 2.660 10 0 AFAERN CCC(CC)[C@H](O)c1ccccn1 87158562 572379965 /nfs/dbraw/zinc/37/99/65/572379965.db2.gz RUXRGJTULXHGNW-NSHDSACASA-N 0 0 179.263 2.551 10 0 AFAERN CCC(CC)Oc1cccc(CO)c1 87157801 572380020 /nfs/dbraw/zinc/38/00/20/572380020.db2.gz ZPMYPRQLYINJIC-UHFFFAOYSA-N 0 0 194.274 2.746 10 0 AFAERN CCC(CC)Oc1ccc(C)nc1N 87155831 572380698 /nfs/dbraw/zinc/38/06/98/572380698.db2.gz ZMFPUDKIDXWIRJ-UHFFFAOYSA-N 0 0 194.278 2.540 10 0 AFAERN CCC(CC)Sc1ncccc1N 87157599 572380499 /nfs/dbraw/zinc/38/04/99/572380499.db2.gz TVSCJHSMIITBEQ-UHFFFAOYSA-N 0 0 196.319 2.945 10 0 AFAERN CCC(CC)[C@@](O)(CC)C1CC1 87158807 572380599 /nfs/dbraw/zinc/38/05/99/572380599.db2.gz RQVSCTSPDAESIC-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C\[C@@H](CC)CC(C)=O 206722473 572380643 /nfs/dbraw/zinc/38/06/43/572380643.db2.gz PZRZEMPOAOYRPC-XTULLQBASA-N 0 0 140.226 2.568 10 0 AFAERN CCC(CC)[C@@H](O)c1ccccn1 87158563 572380886 /nfs/dbraw/zinc/38/08/86/572380886.db2.gz RUXRGJTULXHGNW-LLVKDONJSA-N 0 0 179.263 2.551 10 0 AFAERN CCC(CC)Oc1cccc(O)c1 87157970 572380835 /nfs/dbraw/zinc/38/08/35/572380835.db2.gz BSOUVWDGBNKZOU-UHFFFAOYSA-N 0 0 180.247 2.960 10 0 AFAERN CC1(C)Nc2ccccc2-c2ccnn21 238222935 572380989 /nfs/dbraw/zinc/38/09/89/572380989.db2.gz SLDSXBXAFOMHAA-UHFFFAOYSA-N 0 0 199.257 2.668 10 0 AFAERN CCC(CC)Oc1ccccc1CO 87157806 572381058 /nfs/dbraw/zinc/38/10/58/572381058.db2.gz LVQWHXGUFGOHEN-UHFFFAOYSA-N 0 0 194.274 2.746 10 0 AFAERN CC(C)C(C(C)C)[C@@H](O)C(C)C 308005169 572381104 /nfs/dbraw/zinc/38/11/04/572381104.db2.gz KVHRLJGCMHQVJE-NSHDSACASA-N 0 0 172.312 2.932 10 0 AFAERN Clc1ncccc1COC1CCC1 52727021 572381127 /nfs/dbraw/zinc/38/11/27/572381127.db2.gz GSTKSVFASSVFIS-UHFFFAOYSA-N 0 0 197.665 2.804 10 0 AFAERN OC[C@H]1CCc2cc3ccccc3cc21 238675663 572381191 /nfs/dbraw/zinc/38/11/91/572381191.db2.gz OZQFJAATQLFTQK-CYBMUJFWSA-N 0 0 198.265 2.862 10 0 AFAERN CCC(CC)Oc1ccccc1O 87157969 572381226 /nfs/dbraw/zinc/38/12/26/572381226.db2.gz KQWWJEHJAOTNKC-UHFFFAOYSA-N 0 0 180.247 2.960 10 0 AFAERN CC[C@@](CO)(c1ccccc1)C(C)C 87155578 572381310 /nfs/dbraw/zinc/38/13/10/572381310.db2.gz KQXHDBLVXKWONP-ZDUSSCGKSA-N 0 0 192.302 2.983 10 0 AFAERN CCC(CC)[C@@H](O)c1ccncc1 87158552 572381372 /nfs/dbraw/zinc/38/13/72/572381372.db2.gz XZPBAEAGJMFTFE-LLVKDONJSA-N 0 0 179.263 2.551 10 0 AFAERN CC1=C(/C=C/C(N)=O)C(C)(C)CCC1 44259243 572381397 /nfs/dbraw/zinc/38/13/97/572381397.db2.gz MDXUDXFSGAXBSL-VOTSOKGWSA-N 0 0 193.290 2.555 10 0 AFAERN CCC(CC)Oc1ccc(O)cc1 87157968 572381432 /nfs/dbraw/zinc/38/14/32/572381432.db2.gz OTUASHIICCDAEQ-UHFFFAOYSA-N 0 0 180.247 2.960 10 0 AFAERN CCCCCc1nc2cccnc2[nH]1 44264911 572381441 /nfs/dbraw/zinc/38/14/41/572381441.db2.gz UDTBVQIKENRHCO-UHFFFAOYSA-N 0 0 189.262 2.691 10 0 AFAERN C=C=C[C@H](CCCO)c1ccccc1 238674863 572381500 /nfs/dbraw/zinc/38/15/00/572381500.db2.gz NINIZQKQIIMHGQ-GFCCVEGCSA-N 0 0 188.270 2.884 10 0 AFAERN CCC(CC)[C@@H](O)CCSC 87158644 572381659 /nfs/dbraw/zinc/38/16/59/572381659.db2.gz IAKTYTVGPUMCFH-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN CC[C@](CO)(c1ccccc1)C(C)C 87155580 572381740 /nfs/dbraw/zinc/38/17/40/572381740.db2.gz KQXHDBLVXKWONP-CYBMUJFWSA-N 0 0 192.302 2.983 10 0 AFAERN CCC(CC)[C@H](O)CCSC 87158642 572381774 /nfs/dbraw/zinc/38/17/74/572381774.db2.gz IAKTYTVGPUMCFH-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CO[C@H](C)CSCC=C1CCC1 308001466 572384404 /nfs/dbraw/zinc/38/44/04/572384404.db2.gz ZSTIMWKXVBPSMG-SECBINFHSA-N 0 0 186.320 2.865 10 0 AFAERN CC(C)OCc1cccnc1Cl 52724334 572382017 /nfs/dbraw/zinc/38/20/17/572382017.db2.gz ZLOUEMJKGVKNQI-UHFFFAOYSA-N 0 0 185.654 2.660 10 0 AFAERN C[C@@H](O)C1(CCCCCF)CC1 308005128 572382156 /nfs/dbraw/zinc/38/21/56/572382156.db2.gz KSCZKEWBACLJGC-SECBINFHSA-N 0 0 174.259 2.677 10 0 AFAERN CCC(CC)Oc1ccc(N)cc1F 87155811 572382196 /nfs/dbraw/zinc/38/21/96/572382196.db2.gz LEMQMNDTTFFIBO-UHFFFAOYSA-N 0 0 197.253 2.975 10 0 AFAERN OC[C@@H]1C=Cc2ccc3ccccc3c21 238675994 572382249 /nfs/dbraw/zinc/38/22/49/572382249.db2.gz UIPNLMUXZAGTRY-LBPRGKRZSA-N 0 0 196.249 2.943 10 0 AFAERN CCC(CC)[C@H](O)c1ccncc1 87158550 572382380 /nfs/dbraw/zinc/38/23/80/572382380.db2.gz XZPBAEAGJMFTFE-NSHDSACASA-N 0 0 179.263 2.551 10 0 AFAERN CCC(CC)Oc1cc(F)ccc1N 87155805 572382558 /nfs/dbraw/zinc/38/25/58/572382558.db2.gz BSMVYYROMJZXGM-UHFFFAOYSA-N 0 0 197.253 2.975 10 0 AFAERN C=C=C[C@@H](CCCO)c1ccccc1 238679912 572384427 /nfs/dbraw/zinc/38/44/27/572384427.db2.gz NINIZQKQIIMHGQ-LBPRGKRZSA-N 0 0 188.270 2.884 10 0 AFAERN CCC(CC)Sc1ccc(N)cn1 87157601 572382577 /nfs/dbraw/zinc/38/25/77/572382577.db2.gz WECFEGNXNZHPSL-UHFFFAOYSA-N 0 0 196.319 2.945 10 0 AFAERN CCC(CC)Sc1ccncc1N 87157597 572382648 /nfs/dbraw/zinc/38/26/48/572382648.db2.gz PIRRFHDBGVMTSJ-UHFFFAOYSA-N 0 0 196.319 2.945 10 0 AFAERN CCC(CC)Oc1ccc(N)c(F)c1 87155829 572382654 /nfs/dbraw/zinc/38/26/54/572382654.db2.gz WVTDWNASHRTQJF-UHFFFAOYSA-N 0 0 197.253 2.975 10 0 AFAERN CC/C=C/[C@H](CC)SC(=O)NC 238224561 572382681 /nfs/dbraw/zinc/38/26/81/572382681.db2.gz OPHFYNHRKQDBPR-CZEYKFRCSA-N 0 0 187.308 2.804 10 0 AFAERN CCC(CC)CC(=O)C1CC1 87158201 572382826 /nfs/dbraw/zinc/38/28/26/572382826.db2.gz LFMVBVIFZOLCLQ-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN COc1ccc2snc(C)c2c1 196779355 572382951 /nfs/dbraw/zinc/38/29/51/572382951.db2.gz ULFRJNWTELNRHG-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CCC[C@@H](C)/C=C\CC(C)=O 206719996 572382979 /nfs/dbraw/zinc/38/29/79/572382979.db2.gz TXYQXNQZDQICOY-WILPJHFFSA-N 0 0 154.253 2.958 10 0 AFAERN O=C(CCCCCCF)C1CC1 308001861 572382857 /nfs/dbraw/zinc/38/28/57/572382857.db2.gz HYXYWWSMYDLHQW-UHFFFAOYSA-N 0 0 172.243 2.886 10 0 AFAERN C=C=C(CCC)[C@@H](O)/C=C/CC 238223594 572383306 /nfs/dbraw/zinc/38/33/06/572383306.db2.gz ZMUPOTGJVNNXEO-DJYGCBNOSA-N 0 0 166.264 2.825 10 0 AFAERN O=Cc1ccc(CCCCCCF)[nH]1 238681317 572383377 /nfs/dbraw/zinc/38/33/77/572383377.db2.gz DILJESBDPHZKIP-UHFFFAOYSA-N 0 0 197.253 2.900 10 0 AFAERN CCCCc1cc(C(C)=O)c(N)s1 83744576 572383657 /nfs/dbraw/zinc/38/36/57/572383657.db2.gz MLGNVGOUMBEMNN-UHFFFAOYSA-N 0 0 197.303 2.876 10 0 AFAERN O=C(CCCCF)Nc1ccccc1 238681178 572383697 /nfs/dbraw/zinc/38/36/97/572383697.db2.gz NNGYZSQHUIHCIW-UHFFFAOYSA-N 0 0 195.237 2.765 10 0 AFAERN O=Cc1c2c(n3ccccc13)CCCC2 238686221 572386407 /nfs/dbraw/zinc/38/64/07/572386407.db2.gz OXVWILNTAMDTSZ-UHFFFAOYSA-N 0 0 199.253 2.631 10 0 AFAERN Nc1cccc2[nH]c(C3CC3)cc12 76599247 572383877 /nfs/dbraw/zinc/38/38/77/572383877.db2.gz WDYIOSPZOPXZPF-UHFFFAOYSA-N 0 0 172.231 2.628 10 0 AFAERN CCCCC(=O)CC[C@H](O)C(C)C 238223429 572383890 /nfs/dbraw/zinc/38/38/90/572383890.db2.gz DVFZLEPJTNVVMR-NSHDSACASA-N 0 0 186.295 2.543 10 0 AFAERN C/C(CO)=C(\C)c1ccc(C)cc1 205170260 572383982 /nfs/dbraw/zinc/38/39/82/572383982.db2.gz FUNSDMHTKMPIAH-KHPPLWFESA-N 0 0 176.259 2.781 10 0 AFAERN CC/C=C/c1ccc(C[C@@H](C)O)o1 238225279 572386415 /nfs/dbraw/zinc/38/64/15/572386415.db2.gz JMMGJULXMYHNGH-XNPJLODASA-N 0 0 180.247 2.626 10 0 AFAERN c1cc(NC2CC2)c2[nH]ccc2c1 76599242 572384046 /nfs/dbraw/zinc/38/40/46/572384046.db2.gz ATEIVJYBAAEJTN-UHFFFAOYSA-N 0 0 172.231 2.742 10 0 AFAERN CC/C=C/c1ccc(C[C@H](C)O)o1 238225289 572384054 /nfs/dbraw/zinc/38/40/54/572384054.db2.gz JMMGJULXMYHNGH-MOVJSRMASA-N 0 0 180.247 2.626 10 0 AFAERN CCC[C@H](CO)C(CC)CC 87176230 572386464 /nfs/dbraw/zinc/38/64/64/572386464.db2.gz PQMYCOARKRABRK-SNVBAGLBSA-N 0 0 158.285 2.831 10 0 AFAERN C/C(=C/[C@H](C)C(C)(C)C)[C@H](C)O 308005962 572386465 /nfs/dbraw/zinc/38/64/65/572386465.db2.gz LSVNSDPSXRTXIL-OWSSEVEYSA-N 0 0 170.296 2.996 10 0 AFAERN CC/C=C/[C@@H](CC)SC(=O)NC 238223599 572384316 /nfs/dbraw/zinc/38/43/16/572384316.db2.gz OPHFYNHRKQDBPR-HYDMIIDASA-N 0 0 187.308 2.804 10 0 AFAERN O[C@H]1Nc2ccccc2-c2ccccc21 238678153 572384360 /nfs/dbraw/zinc/38/43/60/572384360.db2.gz ODGNHLPKAVWJAH-CYBMUJFWSA-N 0 0 197.237 2.770 10 0 AFAERN c1ccc2[nH]c(NC3CC3)cc2c1 76599239 572384509 /nfs/dbraw/zinc/38/45/09/572384509.db2.gz MRDMFPPDURXXRI-UHFFFAOYSA-N 0 0 172.231 2.742 10 0 AFAERN CCC(=O)c1cnn(C(CC)CC)c1 87173812 572384519 /nfs/dbraw/zinc/38/45/19/572384519.db2.gz CZNXEHILLHZXKQ-UHFFFAOYSA-N 0 0 194.278 2.837 10 0 AFAERN CCCCC(=O)CC/C=C/OC 206762905 572384582 /nfs/dbraw/zinc/38/45/82/572384582.db2.gz OJOFNGCBFNDBRW-RMKNXTFCSA-N 0 0 170.252 2.686 10 0 AFAERN C=C=Cc1[nH]c2ccccc2c1CCO 238681188 572384592 /nfs/dbraw/zinc/38/45/92/572384592.db2.gz YQAOLFCZPYUMOI-UHFFFAOYSA-N 0 0 199.253 2.501 10 0 AFAERN CC[C@H](C)[C@@H](CO)c1ccc(F)cc1 87176580 572386477 /nfs/dbraw/zinc/38/64/77/572386477.db2.gz XJHPFSKPUUWFEE-JOYOIKCWSA-N 0 0 196.265 2.948 10 0 AFAERN CCCCCC[C@H](O)/C=C/F 238225662 572385042 /nfs/dbraw/zinc/38/50/42/572385042.db2.gz AQBBMIYHABPDTE-FLOXNTQESA-N 0 0 160.232 2.801 10 0 AFAERN O=Cc1ccc2cccc3nc[nH]c1c23 238678903 572385062 /nfs/dbraw/zinc/38/50/62/572385062.db2.gz PIJXDAZVULLUBP-UHFFFAOYSA-N 0 0 196.209 2.529 10 0 AFAERN C=C=C(CCC)[C@H](O)/C=C/CC 238223610 572385220 /nfs/dbraw/zinc/38/52/20/572385220.db2.gz ZMUPOTGJVNNXEO-MXMFLMJRSA-N 0 0 166.264 2.825 10 0 AFAERN CO[C@@H](C)CSCC=C1CCC1 308001468 572385253 /nfs/dbraw/zinc/38/52/53/572385253.db2.gz ZSTIMWKXVBPSMG-VIFPVBQESA-N 0 0 186.320 2.865 10 0 AFAERN OC[C@@H]1CCc2cc3ccccc3cc21 238681644 572385284 /nfs/dbraw/zinc/38/52/84/572385284.db2.gz OZQFJAATQLFTQK-ZDUSSCGKSA-N 0 0 198.265 2.862 10 0 AFAERN CCC(CC)n1cc([C@H](O)CC)cn1 87173943 572385311 /nfs/dbraw/zinc/38/53/11/572385311.db2.gz QTRHZSSFYNWBNM-LLVKDONJSA-N 0 0 196.294 2.688 10 0 AFAERN CCCCNC(=O)C=C=C(CC)CC 238226014 572385329 /nfs/dbraw/zinc/38/53/29/572385329.db2.gz XQRLKTDNZFKDOG-UHFFFAOYSA-N 0 0 195.306 2.804 10 0 AFAERN CCC(CC)n1cc([C@@H](O)CC)cn1 87173945 572385464 /nfs/dbraw/zinc/38/54/64/572385464.db2.gz QTRHZSSFYNWBNM-NSHDSACASA-N 0 0 196.294 2.688 10 0 AFAERN CCc1nccn1C(CC)CC 87174335 572385590 /nfs/dbraw/zinc/38/55/90/572385590.db2.gz PFHYWOCFXZLVHG-UHFFFAOYSA-N 0 0 166.268 2.807 10 0 AFAERN CCCSCc1cccnc1NC 52755859 572385602 /nfs/dbraw/zinc/38/56/02/572385602.db2.gz KXJIQISOYWIFDY-UHFFFAOYSA-N 0 0 196.319 2.767 10 0 AFAERN c1ccc2c(NC3CC3)c[nH]c2c1 76599241 572385977 /nfs/dbraw/zinc/38/59/77/572385977.db2.gz OIFQXBMCPXXPRO-UHFFFAOYSA-N 0 0 172.231 2.742 10 0 AFAERN c1cc(NC2CC2)c2cc[nH]c2c1 76599244 572386025 /nfs/dbraw/zinc/38/60/25/572386025.db2.gz WBBHBJAPVIEDMJ-UHFFFAOYSA-N 0 0 172.231 2.742 10 0 AFAERN c1ccc(-c2cnc3n[nH]cc3c2)cc1 238686910 572386031 /nfs/dbraw/zinc/38/60/31/572386031.db2.gz JCVPBZPMBLMVJP-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CCC(CC)CC[C@H](O)C1CC1 87175067 572387163 /nfs/dbraw/zinc/38/71/63/572387163.db2.gz WKYLXQJRNYICQK-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN OCCCc1ccc(C2CC2)s1 238686485 572386248 /nfs/dbraw/zinc/38/62/48/572386248.db2.gz UURNQWHRCWYJDH-UHFFFAOYSA-N 0 0 182.288 2.550 10 0 AFAERN CC[C@@H](C)C(CC)(CC)CO 87176136 572386554 /nfs/dbraw/zinc/38/65/54/572386554.db2.gz SKTZDGGVZQYQFM-SECBINFHSA-N 0 0 158.285 2.831 10 0 AFAERN CCC[C@@](C)(CO)[C@@H](C)CC 87176097 572387177 /nfs/dbraw/zinc/38/71/77/572387177.db2.gz RDMWUOZPVXZMQM-UWVGGRQHSA-N 0 0 158.285 2.831 10 0 AFAERN CC[C@@H](C)[C@@H](CO)Cc1ccccc1 87176168 572386628 /nfs/dbraw/zinc/38/66/28/572386628.db2.gz ACPCVMMHTXONGW-DGCLKSJQSA-N 0 0 192.302 2.884 10 0 AFAERN C/C(=C/[C@H](C)C(C)(C)C)[C@@H](C)O 308005963 572386674 /nfs/dbraw/zinc/38/66/74/572386674.db2.gz LSVNSDPSXRTXIL-ZTXJHGQBSA-N 0 0 170.296 2.996 10 0 AFAERN CC/C=C/CC/C=C\CNC(=O)CC 210486064 572386717 /nfs/dbraw/zinc/38/67/17/572386717.db2.gz LLWNLISHLLCXAX-QMRMAQATSA-N 0 0 195.306 2.815 10 0 AFAERN CC[C@@H](C)[C@@H](CO)c1cccc(F)c1 87176615 572386813 /nfs/dbraw/zinc/38/68/13/572386813.db2.gz BHVALYMGFFUQMI-BXKDBHETSA-N 0 0 196.265 2.948 10 0 AFAERN CC[C@H](C)[C@H](CO)c1ccccc1F 87176636 572386854 /nfs/dbraw/zinc/38/68/54/572386854.db2.gz SSOVNLAXMWBVMF-ONGXEEELSA-N 0 0 196.265 2.948 10 0 AFAERN c1ccc(-c2cc3ncccc3[nH]2)nc1 238686695 572386911 /nfs/dbraw/zinc/38/69/11/572386911.db2.gz PLTWSYWBQXSQGP-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CCC(CC)CC[C@@H](O)C1CC1 87175068 572386960 /nfs/dbraw/zinc/38/69/60/572386960.db2.gz WKYLXQJRNYICQK-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](Cc1cccc(O)c1)C(C)=O 87178666 572386967 /nfs/dbraw/zinc/38/69/67/572386967.db2.gz UVQXAMIKCXVLAR-LLVKDONJSA-N 0 0 192.258 2.550 10 0 AFAERN O=Cc1c[nH]c2ccc3cccnc3c12 238686715 572386971 /nfs/dbraw/zinc/38/69/71/572386971.db2.gz JGZXJYUJBDGGPE-UHFFFAOYSA-N 0 0 196.209 2.529 10 0 AFAERN CCC(=O)[C@H](C)Cc1cccc(O)c1 87178732 572387089 /nfs/dbraw/zinc/38/70/89/572387089.db2.gz UAWOIQONRIIGSV-SECBINFHSA-N 0 0 192.258 2.550 10 0 AFAERN O=Cc1c2n(c3ccccc13)CC=CC2 238686196 572387097 /nfs/dbraw/zinc/38/70/97/572387097.db2.gz YTSOMFZEAAGBBU-UHFFFAOYSA-N 0 0 197.237 2.566 10 0 AFAERN CC[C@H](Cc1ccc(O)cc1)C(C)=O 87178669 572387337 /nfs/dbraw/zinc/38/73/37/572387337.db2.gz XIEUMJZMHVKPMM-LLVKDONJSA-N 0 0 192.258 2.550 10 0 AFAERN CC1(C)C(=O)[C@@H]2CCC=CCC[C@@H]21 238225150 572387879 /nfs/dbraw/zinc/38/78/79/572387879.db2.gz YRNVLWPBQCJJRU-ZJUUUORDSA-N 0 0 178.275 2.958 10 0 AFAERN CC[C@@H](C)[C@H](CO)c1ccccc1F 87176634 572387407 /nfs/dbraw/zinc/38/74/07/572387407.db2.gz SSOVNLAXMWBVMF-KOLCDFICSA-N 0 0 196.265 2.948 10 0 AFAERN CC[C@@H](Cc1cccc(O)c1)C(C)=O 87178664 572387416 /nfs/dbraw/zinc/38/74/16/572387416.db2.gz UVQXAMIKCXVLAR-NSHDSACASA-N 0 0 192.258 2.550 10 0 AFAERN CC(C)[C@H](C)[C@H](C(N)=O)C1CCCC1 238224849 572387417 /nfs/dbraw/zinc/38/74/17/572387417.db2.gz QYCXFYKWTUTGDG-ONGXEEELSA-N 0 0 197.322 2.570 10 0 AFAERN CC[C@H](C)[C@@H](CO)Cc1ccccc1 87176171 572387533 /nfs/dbraw/zinc/38/75/33/572387533.db2.gz ACPCVMMHTXONGW-WCQYABFASA-N 0 0 192.302 2.884 10 0 AFAERN CCC(=O)[C@H](C)Cc1ccc(O)cc1 87178736 572387636 /nfs/dbraw/zinc/38/76/36/572387636.db2.gz NQBZDZHUQNRQLT-SECBINFHSA-N 0 0 192.258 2.550 10 0 AFAERN CCC[C@@](C)(CO)[C@H](C)CC 87176102 572387691 /nfs/dbraw/zinc/38/76/91/572387691.db2.gz RDMWUOZPVXZMQM-ZJUUUORDSA-N 0 0 158.285 2.831 10 0 AFAERN CCCCCC[C@H]1CCCO[C@@H]1O 238226337 572387733 /nfs/dbraw/zinc/38/77/33/572387733.db2.gz RQCYPXANWZHODZ-QWRGUYRKSA-N 0 0 186.295 2.702 10 0 AFAERN CC[C@@H](C)[C@@H](CO)c1ccc(F)cc1 87176578 572387749 /nfs/dbraw/zinc/38/77/49/572387749.db2.gz XJHPFSKPUUWFEE-BXKDBHETSA-N 0 0 196.265 2.948 10 0 AFAERN CCCC(=O)CCc1ccc(O)cc1 87178641 572387783 /nfs/dbraw/zinc/38/77/83/572387783.db2.gz WDXZMTLUYSLFDQ-UHFFFAOYSA-N 0 0 192.258 2.694 10 0 AFAERN CCCCCC[C@H]1CCCO[C@H]1O 238226346 572387800 /nfs/dbraw/zinc/38/78/00/572387800.db2.gz RQCYPXANWZHODZ-WDEREUQCSA-N 0 0 186.295 2.702 10 0 AFAERN CC[C@H](C)[C@H](CO)CC(C)C 87176198 572387814 /nfs/dbraw/zinc/38/78/14/572387814.db2.gz MYCXXNJXINYYLC-UWVGGRQHSA-N 0 0 158.285 2.687 10 0 AFAERN CCCCC[C@]1(CC)C(=O)CC[C@H]1O 238225155 572387860 /nfs/dbraw/zinc/38/78/60/572387860.db2.gz LOCABEAZKHMWPQ-PWSUYJOCSA-N 0 0 198.306 2.687 10 0 AFAERN CC[C@@H](C)[C@H](CO)c1cccc(F)c1 87176620 572387934 /nfs/dbraw/zinc/38/79/34/572387934.db2.gz BHVALYMGFFUQMI-SKDRFNHKSA-N 0 0 196.265 2.948 10 0 AFAERN CCCCC[C@]1(CC)C(=O)CC[C@@H]1O 238225144 572387991 /nfs/dbraw/zinc/38/79/91/572387991.db2.gz LOCABEAZKHMWPQ-JQWIXIFHSA-N 0 0 198.306 2.687 10 0 AFAERN CC(C)C(=O)CCc1ccc(O)cc1 87178653 572388024 /nfs/dbraw/zinc/38/80/24/572388024.db2.gz FQBGIKOCCJTAQL-UHFFFAOYSA-N 0 0 192.258 2.550 10 0 AFAERN CC[C@@H](C)[C@@H](CO)CC(C)C 87176203 572388177 /nfs/dbraw/zinc/38/81/77/572388177.db2.gz MYCXXNJXINYYLC-NXEZZACHSA-N 0 0 158.285 2.687 10 0 AFAERN CC[C@@H](C)[C@H](CO)c1ccc(F)cc1 87176583 572388242 /nfs/dbraw/zinc/38/82/42/572388242.db2.gz XJHPFSKPUUWFEE-SKDRFNHKSA-N 0 0 196.265 2.948 10 0 AFAERN CCC[C@](C)(CO)[C@@H](C)CC 87176099 572388310 /nfs/dbraw/zinc/38/83/10/572388310.db2.gz RDMWUOZPVXZMQM-VHSXEESVSA-N 0 0 158.285 2.831 10 0 AFAERN CC[C@@H](C)[C@H](CO)CC(C)C 87176195 572388338 /nfs/dbraw/zinc/38/83/38/572388338.db2.gz MYCXXNJXINYYLC-ZJUUUORDSA-N 0 0 158.285 2.687 10 0 AFAERN CCC(CC)[C@H](C)C[C@H](C)O 87175090 572388349 /nfs/dbraw/zinc/38/83/49/572388349.db2.gz LMZFJJCPOHXEJN-BDAKNGLRSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(=O)[C@@H](C)Cc1ccc(O)cc1 87178734 572388369 /nfs/dbraw/zinc/38/83/69/572388369.db2.gz NQBZDZHUQNRQLT-VIFPVBQESA-N 0 0 192.258 2.550 10 0 AFAERN CCCCCC[C@H]1CCC(C=O)=NO1 238226275 572388374 /nfs/dbraw/zinc/38/83/74/572388374.db2.gz QSHFGQBBERPHCA-NSHDSACASA-N 0 0 197.278 2.691 10 0 AFAERN CCC(=O)[C@@H](C)Cc1cccc(O)c1 87178729 572388439 /nfs/dbraw/zinc/38/84/39/572388439.db2.gz UAWOIQONRIIGSV-VIFPVBQESA-N 0 0 192.258 2.550 10 0 AFAERN CCC(CC)[C@H](C)C[C@@H](C)O 87175085 572388712 /nfs/dbraw/zinc/38/87/12/572388712.db2.gz LMZFJJCPOHXEJN-RKDXNWHRSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)[C@H](CO)Cc1ccccc1 87176166 572388572 /nfs/dbraw/zinc/38/85/72/572388572.db2.gz ACPCVMMHTXONGW-AAEUAGOBSA-N 0 0 192.302 2.884 10 0 AFAERN CC[C@@H](C)[C@H](CO)Cc1ccccc1 87176163 572388585 /nfs/dbraw/zinc/38/85/85/572388585.db2.gz ACPCVMMHTXONGW-YPMHNXCESA-N 0 0 192.302 2.884 10 0 AFAERN CCC(CC)[C@](C)(CC)CO 87176191 572388608 /nfs/dbraw/zinc/38/86/08/572388608.db2.gz SZHPUFNSIQBSQS-SNVBAGLBSA-N 0 0 158.285 2.831 10 0 AFAERN CCC(CC)[C@@H](C)C[C@@H](C)O 87175083 572388627 /nfs/dbraw/zinc/38/86/27/572388627.db2.gz LMZFJJCPOHXEJN-DTWKUNHWSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](Cc1ccc(O)cc1)C(C)=O 87178668 572388748 /nfs/dbraw/zinc/38/87/48/572388748.db2.gz XIEUMJZMHVKPMM-NSHDSACASA-N 0 0 192.258 2.550 10 0 AFAERN C=C/C=C/C[C@@H](O)Cc1ccccc1 238684901 572388749 /nfs/dbraw/zinc/38/87/49/572388749.db2.gz AQXOLUDFJKBGNW-MASHWEEQSA-N 0 0 188.270 2.722 10 0 AFAERN c1c[nH]c(-c2cccc3nccnc23)c1 238684366 572388782 /nfs/dbraw/zinc/38/87/82/572388782.db2.gz DGLOIPURNYMAKN-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CCC[C@@H](CO)C(CC)CC 87176226 572388863 /nfs/dbraw/zinc/38/88/63/572388863.db2.gz PQMYCOARKRABRK-JTQLQIEISA-N 0 0 158.285 2.831 10 0 AFAERN CC[C@H](C)[C@@H](CO)c1cccc(F)c1 87176618 572388870 /nfs/dbraw/zinc/38/88/70/572388870.db2.gz BHVALYMGFFUQMI-JOYOIKCWSA-N 0 0 196.265 2.948 10 0 AFAERN CC[C@H](C)[C@@H](CO)CC(C)C 87176206 572388954 /nfs/dbraw/zinc/38/89/54/572388954.db2.gz MYCXXNJXINYYLC-VHSXEESVSA-N 0 0 158.285 2.687 10 0 AFAERN CCC(CC)[C@@H](C)C[C@H](C)O 87175089 572388974 /nfs/dbraw/zinc/38/89/74/572388974.db2.gz LMZFJJCPOHXEJN-IUCAKERBSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)[C@H](CO)c1cccc(F)c1 87176623 572389000 /nfs/dbraw/zinc/38/90/00/572389000.db2.gz BHVALYMGFFUQMI-CABZTGNLSA-N 0 0 196.265 2.948 10 0 AFAERN CC[C@H](C)[C@@H](CO)c1ccccc1F 87176632 572389042 /nfs/dbraw/zinc/38/90/42/572389042.db2.gz SSOVNLAXMWBVMF-GXSJLCMTSA-N 0 0 196.265 2.948 10 0 AFAERN CC/C=C/[C@H](O)c1ccc(OC)cc1 238224752 572389054 /nfs/dbraw/zinc/38/90/54/572389054.db2.gz RVFKQVQKNYZAJC-ITKZLYELSA-N 0 0 192.258 2.695 10 0 AFAERN CC[C@@H](C)[C@@H](CO)c1ccccc1F 87176629 572389083 /nfs/dbraw/zinc/38/90/83/572389083.db2.gz SSOVNLAXMWBVMF-MWLCHTKSSA-N 0 0 196.265 2.948 10 0 AFAERN CC[C@H](C)C(CC)(CC)CO 87176138 572389173 /nfs/dbraw/zinc/38/91/73/572389173.db2.gz SKTZDGGVZQYQFM-VIFPVBQESA-N 0 0 158.285 2.831 10 0 AFAERN O=C1Nc2ccc3ccccc3c2C1O 238700149 572389232 /nfs/dbraw/zinc/38/92/32/572389232.db2.gz MNDRKSFOMYBUIH-UHFFFAOYSA-N 0 0 199.209 2.732 10 0 AFAERN CCOCOc1ccc(C)cc1C 83756654 572389428 /nfs/dbraw/zinc/38/94/28/572389428.db2.gz PJZJKBKUHFGPGN-UHFFFAOYSA-N 0 0 180.247 2.676 10 0 AFAERN CCCP[C@H](CO)c1ccccc1 238226280 572389456 /nfs/dbraw/zinc/38/94/56/572389456.db2.gz FPLGSCPNJPTOEZ-LLVKDONJSA-N 0 0 196.230 2.809 10 0 AFAERN CC1(C)C(=O)[C@H]2CCC=CCC[C@@H]21 238225129 572389536 /nfs/dbraw/zinc/38/95/36/572389536.db2.gz YRNVLWPBQCJJRU-UWVGGRQHSA-N 0 0 178.275 2.958 10 0 AFAERN C=C=CCCC[C@@H](O)c1ccco1 238701157 572389619 /nfs/dbraw/zinc/38/96/19/572389619.db2.gz CGJPGIZIUXPJNS-SNVBAGLBSA-N 0 0 178.231 2.824 10 0 AFAERN c1c[nH]c(-c2cc(-c3ccc[nH]3)on2)c1 238684418 572389671 /nfs/dbraw/zinc/38/96/71/572389671.db2.gz HAVOUMZYAOHUGT-UHFFFAOYSA-N 0 0 199.213 2.665 10 0 AFAERN CC(C)[C@H](C)[C@@H](C(N)=O)C1CCCC1 238225102 572389676 /nfs/dbraw/zinc/38/96/76/572389676.db2.gz QYCXFYKWTUTGDG-GXSJLCMTSA-N 0 0 197.322 2.570 10 0 AFAERN CCOCOc1ccccc1CC 83756651 572389713 /nfs/dbraw/zinc/38/97/13/572389713.db2.gz ZMEHIXMSINOQJF-UHFFFAOYSA-N 0 0 180.247 2.622 10 0 AFAERN C/C=C/CCCC(=O)NCCCC 238226325 572389725 /nfs/dbraw/zinc/38/97/25/572389725.db2.gz SHZBMUPSWCNDMS-HWKANZROSA-N 0 0 183.295 2.649 10 0 AFAERN CCOCOc1cccc(CC)c1 83756650 572389847 /nfs/dbraw/zinc/38/98/47/572389847.db2.gz OCXVANZCLLRXMR-UHFFFAOYSA-N 0 0 180.247 2.622 10 0 AFAERN CCCSC[C@H](O)C(CC)CC 87169551 572396118 /nfs/dbraw/zinc/39/61/18/572396118.db2.gz XQXVKVCYKXHIEL-JTQLQIEISA-N 0 0 190.352 2.927 10 0 AFAERN C=C=CCC[C@@H](O)c1ccccc1 238700386 572390250 /nfs/dbraw/zinc/39/02/50/572390250.db2.gz IJTJPZQTSYMWSK-GFCCVEGCSA-N 0 0 174.243 2.841 10 0 AFAERN c1cc(-c2cc3ccncc3[nH]2)ccn1 238684877 572390300 /nfs/dbraw/zinc/39/03/00/572390300.db2.gz AAKFLKILSFUWEU-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CCOCOc1cc(C)cc(C)c1 83756656 572390482 /nfs/dbraw/zinc/39/04/82/572390482.db2.gz KCYRJPGMERPOEG-UHFFFAOYSA-N 0 0 180.247 2.676 10 0 AFAERN CCSc1cnn([C@H](C)CC)c1N 87196263 572390568 /nfs/dbraw/zinc/39/05/68/572390568.db2.gz OXIIJHSUCMPXFL-SSDOTTSWSA-N 0 0 199.323 2.548 10 0 AFAERN COCOc1ccc(C(C)C)cc1 83755811 572390658 /nfs/dbraw/zinc/39/06/58/572390658.db2.gz RCJSNOXRXCAPIW-UHFFFAOYSA-N 0 0 180.247 2.793 10 0 AFAERN CCCCC(=O)[C@@]1(C)CCC[C@@H]1OC 238227795 572390687 /nfs/dbraw/zinc/39/06/87/572390687.db2.gz ZRMVWBNOBCXRIF-NWDGAFQWSA-N 0 0 198.306 2.951 10 0 AFAERN CCSc1cnn([C@@H](C)CC)c1N 87196264 572390831 /nfs/dbraw/zinc/39/08/31/572390831.db2.gz OXIIJHSUCMPXFL-ZETCQYMHSA-N 0 0 199.323 2.548 10 0 AFAERN CCCCC(=O)[C@H](CCC)[C@H](C)O 238228367 572390867 /nfs/dbraw/zinc/39/08/67/572390867.db2.gz ODTUJADEHNCEIR-VHSXEESVSA-N 0 0 186.295 2.543 10 0 AFAERN CC(C)Nc1cccc2[nH]ccc12 76600418 572390978 /nfs/dbraw/zinc/39/09/78/572390978.db2.gz NFSZDVBGCFKWJG-UHFFFAOYSA-N 0 0 174.247 2.988 10 0 AFAERN CCOCSc1ccc(N)cc1C 83756201 572391147 /nfs/dbraw/zinc/39/11/47/572391147.db2.gz GYLOVGYCQSGTSU-UHFFFAOYSA-N 0 0 197.303 2.663 10 0 AFAERN CC[C@H](F)CSC1CCOCC1 308008011 572391227 /nfs/dbraw/zinc/39/12/27/572391227.db2.gz JIMREXZANKBKBL-QMMMGPOBSA-N 0 0 192.299 2.647 10 0 AFAERN CCC[C@H]1C[C@@H](O)OC1(CC)CC 238228462 572391237 /nfs/dbraw/zinc/39/12/37/572391237.db2.gz RPHNPQDFWCIBBJ-UWVGGRQHSA-N 0 0 186.295 2.700 10 0 AFAERN CCC(CC)n1ncc(SC)c1N 87196155 572391281 /nfs/dbraw/zinc/39/12/81/572391281.db2.gz QZUBFFDXJVTPRP-UHFFFAOYSA-N 0 0 199.323 2.548 10 0 AFAERN C[C@H](CO)CCCSC(C)(C)C 308006934 572391316 /nfs/dbraw/zinc/39/13/16/572391316.db2.gz MRDKZCUDMIAIBF-VIFPVBQESA-N 0 0 190.352 2.927 10 0 AFAERN CCCCC(=O)[C@@]1(C)CCC[C@H]1OC 238227812 572391660 /nfs/dbraw/zinc/39/16/60/572391660.db2.gz ZRMVWBNOBCXRIF-VXGBXAGGSA-N 0 0 198.306 2.951 10 0 AFAERN CCOCSc1ccc(C)cc1N 83756200 572391665 /nfs/dbraw/zinc/39/16/65/572391665.db2.gz BQERLBFWBFBGHL-UHFFFAOYSA-N 0 0 197.303 2.663 10 0 AFAERN COCSc1cccc(C(C)=O)c1 83755782 572391882 /nfs/dbraw/zinc/39/18/82/572391882.db2.gz RTCXCEJVTVCTRT-UHFFFAOYSA-N 0 0 196.271 2.585 10 0 AFAERN CCCSc1cnn(C(C)C)c1N 87196242 572391960 /nfs/dbraw/zinc/39/19/60/572391960.db2.gz IXMBNVNRMMYXRC-UHFFFAOYSA-N 0 0 199.323 2.548 10 0 AFAERN CCCC(=O)CCNc1ccccc1 238228028 572392040 /nfs/dbraw/zinc/39/20/40/572392040.db2.gz STINCLDUXWNPFI-UHFFFAOYSA-N 0 0 191.274 2.858 10 0 AFAERN C/C=C/c1c[nH]c(C(=O)SCC)c1 308007024 572392076 /nfs/dbraw/zinc/39/20/76/572392076.db2.gz FHHVVYQXFIZBJN-HWKANZROSA-N 0 0 195.287 2.941 10 0 AFAERN CCC(=O)CCC(F)(F)C(F)F 308006864 572392095 /nfs/dbraw/zinc/39/20/95/572392095.db2.gz MLYZGHXFACUNOK-UHFFFAOYSA-N 0 0 186.148 2.646 10 0 AFAERN FC(F)(F)c1cc2[nH]ccc2o1 76600621 572392965 /nfs/dbraw/zinc/39/29/65/572392965.db2.gz FRXLDALYIDRDLQ-UHFFFAOYSA-N 0 0 175.109 2.780 10 0 AFAERN CC[C@@H](F)CSC1CCOCC1 308008009 572392271 /nfs/dbraw/zinc/39/22/71/572392271.db2.gz JIMREXZANKBKBL-MRVPVSSYSA-N 0 0 192.299 2.647 10 0 AFAERN CCOCOc1ccc(CC)cc1 83756649 572392654 /nfs/dbraw/zinc/39/26/54/572392654.db2.gz DERXQLOHDQCDST-UHFFFAOYSA-N 0 0 180.247 2.622 10 0 AFAERN CCC[C@@H](O)C/C=C\[Si](C)(C)C 206802276 572392990 /nfs/dbraw/zinc/39/29/90/572392990.db2.gz FBZJWLAFQWGCNX-ABRRARGCSA-N 0 0 186.371 2.971 10 0 AFAERN CCCC(=O)CC[C@H](C)OCC 238228354 572392899 /nfs/dbraw/zinc/39/28/99/572392899.db2.gz CDIYLNHOTUZJEQ-VIFPVBQESA-N 0 0 172.268 2.561 10 0 AFAERN CCSCCn1cc(C)c(C)c1 308006930 572393015 /nfs/dbraw/zinc/39/30/15/572393015.db2.gz MRCBBUKBRMFWEE-UHFFFAOYSA-N 0 0 183.320 2.858 10 0 AFAERN CCCC(=O)CC[C@@H](C)OCC 238228175 572393035 /nfs/dbraw/zinc/39/30/35/572393035.db2.gz CDIYLNHOTUZJEQ-SECBINFHSA-N 0 0 172.268 2.561 10 0 AFAERN CCC[C@@](O)(CC1CC1)C1CC1 308006949 572393171 /nfs/dbraw/zinc/39/31/71/572393171.db2.gz MTJVKHUQNGPUJN-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CCC[C@](O)(CC1CC1)C1CC1 308006950 572394408 /nfs/dbraw/zinc/39/44/08/572394408.db2.gz MTJVKHUQNGPUJN-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)Nc1c[nH]c2ccccc12 76600410 572393673 /nfs/dbraw/zinc/39/36/73/572393673.db2.gz CSWSVISTGDHQMR-UHFFFAOYSA-N 0 0 174.247 2.988 10 0 AFAERN C[C@@H](CO)CCCSC(C)(C)C 308006932 572393695 /nfs/dbraw/zinc/39/36/95/572393695.db2.gz MRDKZCUDMIAIBF-SECBINFHSA-N 0 0 190.352 2.927 10 0 AFAERN CCCCC(=O)[C@H](CCC)[C@@H](C)O 238228352 572393952 /nfs/dbraw/zinc/39/39/52/572393952.db2.gz ODTUJADEHNCEIR-NXEZZACHSA-N 0 0 186.295 2.543 10 0 AFAERN CCCC[C@H](O)[C@H]1CC[C@H](C)C1 83785641 572394043 /nfs/dbraw/zinc/39/40/43/572394043.db2.gz XQTOUPOEUNAUHM-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCC(=O)c1ccc([O-])c(F)c1 238229650 572394617 /nfs/dbraw/zinc/39/46/17/572394617.db2.gz YNJBJOYDYNZPHM-UHFFFAOYSA-N 0 0 196.221 2.904 10 0 AFAERN CCC(CC)[C@@H](C)[C@@H](O)CC 87171710 572394677 /nfs/dbraw/zinc/39/46/77/572394677.db2.gz XVSHXHABYNUHNI-SCZZXKLOSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)[C@H](O)c1cccc(C)n1 87169514 572395165 /nfs/dbraw/zinc/39/51/65/572395165.db2.gz UHHOVIMJJWICBZ-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN CCC(CC)[C@@H](CC)[C@@H](C)O 87171610 572394792 /nfs/dbraw/zinc/39/47/92/572394792.db2.gz FIYKLUKCXGSREW-SCZZXKLOSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)C[C@@H](O)[C@@H]1CCCC1=O 238228811 572394804 /nfs/dbraw/zinc/39/48/04/572394804.db2.gz QBEOWXNFZHZAHP-ZYHUDNBSSA-N 0 0 198.306 2.543 10 0 AFAERN CCCSC[C@@H](O)C(CC)CC 87169553 572394827 /nfs/dbraw/zinc/39/48/27/572394827.db2.gz XQXVKVCYKXHIEL-SNVBAGLBSA-N 0 0 190.352 2.927 10 0 AFAERN CCC(CC)[C@@H](O)c1ncccc1C 87169482 572394939 /nfs/dbraw/zinc/39/49/39/572394939.db2.gz UIKGRQWLZKYLMX-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CCSC[C@@H](O)C(CC)CC 87169548 572395029 /nfs/dbraw/zinc/39/50/29/572395029.db2.gz PYUGCRSVQMFWNZ-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CCC(CC)C(=O)Cc1cccnc1 87169219 572395054 /nfs/dbraw/zinc/39/50/54/572395054.db2.gz CORMLLIVRTUFKF-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN CCC(CC)C[C@H](O)[C@@H]1CCCC1=O 238229048 572395179 /nfs/dbraw/zinc/39/51/79/572395179.db2.gz QBEOWXNFZHZAHP-PWSUYJOCSA-N 0 0 198.306 2.543 10 0 AFAERN CCC(CC)[C@@H](O)CSC(C)C 87169556 572395107 /nfs/dbraw/zinc/39/51/07/572395107.db2.gz ZPMVXSPCQHCCEY-JTQLQIEISA-N 0 0 190.352 2.925 10 0 AFAERN CCC(CC)[C@H](O)c1cc(C)ccn1 87169516 572395122 /nfs/dbraw/zinc/39/51/22/572395122.db2.gz KECLDTVXKAXSQK-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN CCC(CC)C(=O)CC(F)(F)F 87169190 572395150 /nfs/dbraw/zinc/39/51/50/572395150.db2.gz XUBKUZNIWRDLNV-UHFFFAOYSA-N 0 0 182.185 2.944 10 0 AFAERN CCCCC(=O)[C@@H](CCC)[C@@H](C)O 238226795 572395337 /nfs/dbraw/zinc/39/53/37/572395337.db2.gz ODTUJADEHNCEIR-ZJUUUORDSA-N 0 0 186.295 2.543 10 0 AFAERN CCSC[C@H](O)C(CC)CC 87169550 572395481 /nfs/dbraw/zinc/39/54/81/572395481.db2.gz PYUGCRSVQMFWNZ-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN CCC(CC)C(=O)c1ccncc1 87169162 572395513 /nfs/dbraw/zinc/39/55/13/572395513.db2.gz VYEMJYMCMKROQN-UHFFFAOYSA-N 0 0 177.247 2.701 10 0 AFAERN CCC(CC)C(=O)c1cccnc1 87169159 572395633 /nfs/dbraw/zinc/39/56/33/572395633.db2.gz SFXXHVUOJCXAMV-UHFFFAOYSA-N 0 0 177.247 2.701 10 0 AFAERN CCCCC(=O)[C@]1(C)CCC[C@H]1OC 238229170 572395677 /nfs/dbraw/zinc/39/56/77/572395677.db2.gz ZRMVWBNOBCXRIF-NEPJUHHUSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(CC)[C@H](CC)[C@@H](C)O 87171612 572395680 /nfs/dbraw/zinc/39/56/80/572395680.db2.gz FIYKLUKCXGSREW-PSASIEDQSA-N 0 0 158.285 2.830 10 0 AFAERN CCCC[C@H](O)[C@@H]1CC[C@H](C)C1 83785637 572395690 /nfs/dbraw/zinc/39/56/90/572395690.db2.gz XQTOUPOEUNAUHM-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CCSCC(=O)C(CC)CC 87169277 572395712 /nfs/dbraw/zinc/39/57/12/572395712.db2.gz RXCGXJPCPBEUAX-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CCCOC(=O)NCC1CCCCC1 238229412 572395878 /nfs/dbraw/zinc/39/58/78/572395878.db2.gz GBKQDBZCIDVMFO-UHFFFAOYSA-N 0 0 199.294 2.703 10 0 AFAERN CCC[C@@H](O)CC(CC)CC 87171618 572395974 /nfs/dbraw/zinc/39/59/74/572395974.db2.gz ZHPJIXPOHJNPFZ-SNVBAGLBSA-N 0 0 158.285 2.974 10 0 AFAERN CC(=O)OCC1=C(C)[C@@H](C(C)C)CC1 238229426 572396055 /nfs/dbraw/zinc/39/60/55/572396055.db2.gz VRJMSJMNEVZIFW-GFCCVEGCSA-N 0 0 196.290 2.932 10 0 AFAERN CCC(CC)C[C@H](O)[C@H]1CCCC1=O 238229060 572396105 /nfs/dbraw/zinc/39/61/05/572396105.db2.gz QBEOWXNFZHZAHP-JQWIXIFHSA-N 0 0 198.306 2.543 10 0 AFAERN CCC(CC)[C@H](C)[C@H](O)CC 87171709 572396368 /nfs/dbraw/zinc/39/63/68/572396368.db2.gz XVSHXHABYNUHNI-WCBMZHEXSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)[C@@H](O)c1cccc(C)n1 87169515 572396403 /nfs/dbraw/zinc/39/64/03/572396403.db2.gz UHHOVIMJJWICBZ-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CCCCC(=O)[C@@H](CCC)[C@H](C)O 238226807 572396519 /nfs/dbraw/zinc/39/65/19/572396519.db2.gz ODTUJADEHNCEIR-UWVGGRQHSA-N 0 0 186.295 2.543 10 0 AFAERN CCC(CC)[C@@H](O)c1ccc(F)cn1 87169787 572396662 /nfs/dbraw/zinc/39/66/62/572396662.db2.gz INTJUDIBUXVZBD-LLVKDONJSA-N 0 0 197.253 2.690 10 0 AFAERN CCC(CC)C(=O)c1ccoc1 87169254 572396755 /nfs/dbraw/zinc/39/67/55/572396755.db2.gz PORPCEXTVLVBNB-UHFFFAOYSA-N 0 0 166.220 2.899 10 0 AFAERN CCCCC(=O)[C@]1(C)CCC[C@@H]1OC 238229156 572396968 /nfs/dbraw/zinc/39/69/68/572396968.db2.gz ZRMVWBNOBCXRIF-RYUDHWBXSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1ccc([C@@H](CCO)C(C)C)o1 238229627 572397001 /nfs/dbraw/zinc/39/70/01/572397001.db2.gz SEDXKIAQKRKNNR-JTQLQIEISA-N 0 0 182.263 2.710 10 0 AFAERN CCC(CC)C[C@@H](O)C1CC1 87171706 572397310 /nfs/dbraw/zinc/39/73/10/572397310.db2.gz JVZJMNCIKYDAQZ-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CCC(CC)[C@H](O)c1ncccc1C 87169480 572397081 /nfs/dbraw/zinc/39/70/81/572397081.db2.gz UIKGRQWLZKYLMX-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN CCC(CC)[C@H](O)CSC(C)C 87169554 572397115 /nfs/dbraw/zinc/39/71/15/572397115.db2.gz ZPMVXSPCQHCCEY-SNVBAGLBSA-N 0 0 190.352 2.925 10 0 AFAERN CCC(CC)[C@@H](O)c1ccccc1N 87169530 572397180 /nfs/dbraw/zinc/39/71/80/572397180.db2.gz GZQDDHIAEPICAX-GFCCVEGCSA-N 0 0 193.290 2.738 10 0 AFAERN CCC(CC)[C@H](O)c1ccc(F)cn1 87169785 572397220 /nfs/dbraw/zinc/39/72/20/572397220.db2.gz INTJUDIBUXVZBD-NSHDSACASA-N 0 0 197.253 2.690 10 0 AFAERN CCC(CC)C(=O)C[C@H]1CCCO1 87169169 572397225 /nfs/dbraw/zinc/39/72/25/572397225.db2.gz QYRSDWBAUZWSMK-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(CC)[C@H](O)CC(F)(F)F 87169471 572397238 /nfs/dbraw/zinc/39/72/38/572397238.db2.gz OSMSNLUUZGFITJ-SSDOTTSWSA-N 0 0 184.201 2.736 10 0 AFAERN CCC(CC)[C@@H](O)CC(F)(F)F 87169472 572397262 /nfs/dbraw/zinc/39/72/62/572397262.db2.gz OSMSNLUUZGFITJ-ZETCQYMHSA-N 0 0 184.201 2.736 10 0 AFAERN CCC(CC)[C@H](C)[C@@H](O)CC 87171712 572397400 /nfs/dbraw/zinc/39/74/00/572397400.db2.gz XVSHXHABYNUHNI-WPRPVWTQSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)C(=O)c1ccc(F)cn1 87169446 572397443 /nfs/dbraw/zinc/39/74/43/572397443.db2.gz WNCQIQMSJYEABX-UHFFFAOYSA-N 0 0 195.237 2.840 10 0 AFAERN CCC(CC)C[C@H](O)C(C)C 87171626 572397699 /nfs/dbraw/zinc/39/76/99/572397699.db2.gz ULUXZESVRYMSRA-JTQLQIEISA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)C[C@@H](O)C(C)C 87171627 572397912 /nfs/dbraw/zinc/39/79/12/572397912.db2.gz ULUXZESVRYMSRA-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)[C@H](CC)[C@H](C)O 87171615 572397916 /nfs/dbraw/zinc/39/79/16/572397916.db2.gz FIYKLUKCXGSREW-WCBMZHEXSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)C(=O)C[C@@H]1CCCO1 87169167 572398028 /nfs/dbraw/zinc/39/80/28/572398028.db2.gz QYRSDWBAUZWSMK-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCCc1cc([C@H](C)O)no1 238231364 572400951 /nfs/dbraw/zinc/40/09/51/572400951.db2.gz HKPWROZRJJTZHR-VIFPVBQESA-N 0 0 197.278 2.851 10 0 AFAERN CCCCc1ccc(NC#N)cc1 52832343 572398687 /nfs/dbraw/zinc/39/86/87/572398687.db2.gz YDNXIHPOXFDZGP-UHFFFAOYSA-N 0 0 174.247 2.922 10 0 AFAERN CCCCC[C@H](CC(C)C)C(N)=O 238231347 572398824 /nfs/dbraw/zinc/39/88/24/572398824.db2.gz YJFPZHPMGFJELR-SNVBAGLBSA-N 0 0 185.311 2.714 10 0 AFAERN CC[C@H](C)Oc1cccc(NC#N)c1 52833026 572399076 /nfs/dbraw/zinc/39/90/76/572399076.db2.gz BPSKQZRQMUQRGM-VIFPVBQESA-N 0 0 190.246 2.757 10 0 AFAERN CC[C@@H](C)Oc1cccc(NC#N)c1 52833025 572399084 /nfs/dbraw/zinc/39/90/84/572399084.db2.gz BPSKQZRQMUQRGM-SECBINFHSA-N 0 0 190.246 2.757 10 0 AFAERN CCCCC[C@H](CC)c1nnc(N)o1 238231865 572399144 /nfs/dbraw/zinc/39/91/44/572399144.db2.gz WYAOVAMEIFVYNH-QMMMGPOBSA-N 0 0 197.282 2.726 10 0 AFAERN CCCCNC(=O)SCC(C)C 238231389 572399216 /nfs/dbraw/zinc/39/92/16/572399216.db2.gz APHQVXFHOBICHA-UHFFFAOYSA-N 0 0 189.324 2.885 10 0 AFAERN CCC[C@H](CO)Sc1ccccc1 238230260 572399222 /nfs/dbraw/zinc/39/92/22/572399222.db2.gz PNVVREPMIPHIQQ-LLVKDONJSA-N 0 0 196.315 2.940 10 0 AFAERN CCc1cccc(CC)c1NC#N 52833029 572399361 /nfs/dbraw/zinc/39/93/61/572399361.db2.gz QZQGKKNYMNHMKE-UHFFFAOYSA-N 0 0 174.247 2.704 10 0 AFAERN Cc1ccc(NC#N)c(Cl)c1 52832270 572399411 /nfs/dbraw/zinc/39/94/11/572399411.db2.gz DMIHFBJBBZFLFJ-UHFFFAOYSA-N 0 0 166.611 2.541 10 0 AFAERN CC[C@H](CC(C)C)[C@H](O)C1=CCCO1 308013564 572399480 /nfs/dbraw/zinc/39/94/80/572399480.db2.gz DEUTZMCPBYEKQW-PWSUYJOCSA-N 0 0 198.306 2.724 10 0 AFAERN CCCCC(CC)(CC)OCCO 238231414 572399531 /nfs/dbraw/zinc/39/95/31/572399531.db2.gz XBZYYEMCJYUHRE-UHFFFAOYSA-N 0 0 188.311 2.744 10 0 AFAERN COCCS[C@@H]1CCCC1(C)C 308014552 572399580 /nfs/dbraw/zinc/39/95/80/572399580.db2.gz PAEKOZRZBWTVCL-SECBINFHSA-N 0 0 188.336 2.945 10 0 AFAERN CCCc1ccc(NC#N)cc1 52832345 572399592 /nfs/dbraw/zinc/39/95/92/572399592.db2.gz LSDSKTNVDFCPNI-UHFFFAOYSA-N 0 0 160.220 2.532 10 0 AFAERN N#CNc1ccc(C(F)(F)F)cc1 52832108 572399621 /nfs/dbraw/zinc/39/96/21/572399621.db2.gz BOQOJAKXNKUDLS-UHFFFAOYSA-N 0 0 186.136 2.598 10 0 AFAERN CCC[C@H]1C[C@H](O)OC1(CC)CC 238230322 572399697 /nfs/dbraw/zinc/39/96/97/572399697.db2.gz RPHNPQDFWCIBBJ-VHSXEESVSA-N 0 0 186.295 2.700 10 0 AFAERN C/C=C/C(C)=C\[C@@H](C)C(C)=O 206874263 572399741 /nfs/dbraw/zinc/39/97/41/572399741.db2.gz OTZTTXPRIFCLFT-KMOFIOGBSA-N 0 0 152.237 2.734 10 0 AFAERN CSCC(=O)c1c(C)cccc1C 235026234 572399850 /nfs/dbraw/zinc/39/98/50/572399850.db2.gz QFYVLLXRWHZWNO-UHFFFAOYSA-N 0 0 194.299 2.849 10 0 AFAERN CCCCC(=O)c1sccc1N 238229939 572400070 /nfs/dbraw/zinc/40/00/70/572400070.db2.gz CKCGTMBTODNFMW-UHFFFAOYSA-N 0 0 183.276 2.703 10 0 AFAERN CC(C)(C)c1ccc(NC#N)cc1 52832059 572400177 /nfs/dbraw/zinc/40/01/77/572400177.db2.gz WJXILPDRJYHRMK-UHFFFAOYSA-N 0 0 174.247 2.877 10 0 AFAERN CCCCCCc1cc([C@@H](C)O)no1 238231348 572401453 /nfs/dbraw/zinc/40/14/53/572401453.db2.gz HKPWROZRJJTZHR-SECBINFHSA-N 0 0 197.278 2.851 10 0 AFAERN CCCc1ccccc1NC#N 52832811 572401454 /nfs/dbraw/zinc/40/14/54/572401454.db2.gz HTYMMYVRLRQJKT-UHFFFAOYSA-N 0 0 160.220 2.532 10 0 AFAERN Oc1ccc2c(c1)Cc1cccc(O)c1-2 238709201 572400366 /nfs/dbraw/zinc/40/03/66/572400366.db2.gz GBLVNULGFWGGRX-UHFFFAOYSA-N 0 0 198.221 2.669 10 0 AFAERN N#CNc1ccccc1C(F)(F)F 52832055 572400493 /nfs/dbraw/zinc/40/04/93/572400493.db2.gz DJQJFMVBNUQDEB-UHFFFAOYSA-N 0 0 186.136 2.598 10 0 AFAERN CCC[C@](C)(C=C(C)C)OCCO 238231586 572400507 /nfs/dbraw/zinc/40/05/07/572400507.db2.gz IEIKODHEYRSKNA-LLVKDONJSA-N 0 0 186.295 2.520 10 0 AFAERN CC[C@@H](CC(C)C)[C@H](O)C1=CCCO1 308013562 572400554 /nfs/dbraw/zinc/40/05/54/572400554.db2.gz DEUTZMCPBYEKQW-JQWIXIFHSA-N 0 0 198.306 2.724 10 0 AFAERN N#CNc1cccc(C(F)(F)F)c1 52832057 572400612 /nfs/dbraw/zinc/40/06/12/572400612.db2.gz PXRLLKXIZPXPTK-UHFFFAOYSA-N 0 0 186.136 2.598 10 0 AFAERN CC[C@@H](CC(C)C)[C@@H](O)C1=CCCO1 308013560 572400705 /nfs/dbraw/zinc/40/07/05/572400705.db2.gz DEUTZMCPBYEKQW-CMPLNLGQSA-N 0 0 198.306 2.724 10 0 AFAERN CCCCCCc1ccc(C(N)=O)o1 238231471 572401169 /nfs/dbraw/zinc/40/11/69/572401169.db2.gz WIPFKYRVZNENLD-UHFFFAOYSA-N 0 0 195.262 2.501 10 0 AFAERN Cc1ccc(Cl)cc1NC#N 52831990 572401177 /nfs/dbraw/zinc/40/11/77/572401177.db2.gz ZARAJKBJOBNJFT-UHFFFAOYSA-N 0 0 166.611 2.541 10 0 AFAERN CCC(C)(C)Oc1ncc(N)cc1C 52813698 572401190 /nfs/dbraw/zinc/40/11/90/572401190.db2.gz AQTQNOUQDNSAMQ-UHFFFAOYSA-N 0 0 194.278 2.540 10 0 AFAERN CC(C)c1cccc(NC#N)c1 52832280 572401286 /nfs/dbraw/zinc/40/12/86/572401286.db2.gz TULIIZGSZQSTMF-UHFFFAOYSA-N 0 0 160.220 2.703 10 0 AFAERN CCCCCCc1cc(CO)co1 238231146 572401779 /nfs/dbraw/zinc/40/17/79/572401779.db2.gz UNYARBOWIJYANT-UHFFFAOYSA-N 0 0 182.263 2.895 10 0 AFAERN COCCS[C@H]1CCCC1(C)C 308014553 572402668 /nfs/dbraw/zinc/40/26/68/572402668.db2.gz PAEKOZRZBWTVCL-VIFPVBQESA-N 0 0 188.336 2.945 10 0 AFAERN CCC[C@H]1NC(=O)C1(CCC)CCC 238231529 572401857 /nfs/dbraw/zinc/40/18/57/572401857.db2.gz DDJBHJKTABJHNE-SNVBAGLBSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@H](CC(C)C)[C@@H](O)C1=CCCO1 308013566 572401966 /nfs/dbraw/zinc/40/19/66/572401966.db2.gz DEUTZMCPBYEKQW-ZYHUDNBSSA-N 0 0 198.306 2.724 10 0 AFAERN C[C@H](O)C[C@H](C)OC1=CCCCC1 197044163 572402356 /nfs/dbraw/zinc/40/23/56/572402356.db2.gz QJJMGPBBUHGQSJ-UWVGGRQHSA-N 0 0 184.279 2.620 10 0 AFAERN C[C@@H](O)C[C@@H](C)OC1=CCCC[C@H]1C 197044265 572402465 /nfs/dbraw/zinc/40/24/65/572402465.db2.gz XQKPWKTVXXRUID-GMTAPVOTSA-N 0 0 198.306 2.866 10 0 AFAERN CCCCCCc1c(C)c[nH]c1CO 238230621 572402768 /nfs/dbraw/zinc/40/27/68/572402768.db2.gz KLNWQIREMQSVSM-UHFFFAOYSA-N 0 0 195.306 2.938 10 0 AFAERN CCCCC(C)(C)C(C)(C)NC=O 238230465 572402894 /nfs/dbraw/zinc/40/28/94/572402894.db2.gz GRENJXOSEYRNSD-UHFFFAOYSA-N 0 0 185.311 2.727 10 0 AFAERN CCCCCCc1c(CC)c1=O 238230656 572403289 /nfs/dbraw/zinc/40/32/89/572403289.db2.gz NTJNAVBSHJLNOU-UHFFFAOYSA-N 0 0 166.264 2.608 10 0 AFAERN CC1(C)C[C@@H]1CC[C@]1(C)C[C@H]1CO 117101321 572403384 /nfs/dbraw/zinc/40/33/84/572403384.db2.gz QLLWVKWSZDDSHW-JBLDHEPKSA-N 0 0 182.307 2.831 10 0 AFAERN CCCC/C(=C\[C@H]1CCCO1)CCO 238233908 572407008 /nfs/dbraw/zinc/40/70/08/572407008.db2.gz ZVUGULPZUVHNLB-HCRIHEDKSA-N 0 0 198.306 2.664 10 0 AFAERN CCC[C@H](C)CC(=O)[C@@]1(C)CCCO1 87226821 572403431 /nfs/dbraw/zinc/40/34/31/572403431.db2.gz VZVQJXNTGODHLT-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN O[C@H](/C=C/c1ccccc1)c1ccc[nH]1 238718152 572405991 /nfs/dbraw/zinc/40/59/91/572405991.db2.gz DYAAPMCDWCSJPC-MMQHEFTJSA-N 0 0 199.253 2.762 10 0 AFAERN CC[C@H](CC(C)C)[C@@]1(O)C[C@@H]1C 308015906 572403678 /nfs/dbraw/zinc/40/36/78/572403678.db2.gz FSZOMMXSYOZCLA-HBNTYKKESA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@@H]1C=CCCCC[C@H]1O 308015768 572403819 /nfs/dbraw/zinc/40/38/19/572403819.db2.gz RRJUEMHGVPXJNS-WDEREUQCSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)COCc1ccc(N)c(F)c1 87225673 572403892 /nfs/dbraw/zinc/40/38/92/572403892.db2.gz LWROPPWTDLSIOJ-UHFFFAOYSA-N 0 0 197.253 2.581 10 0 AFAERN CC[C@H](CC(C)C)[C@]1(O)C[C@@H]1C 308015902 572403936 /nfs/dbraw/zinc/40/39/36/572403936.db2.gz FSZOMMXSYOZCLA-AXFHLTTASA-N 0 0 170.296 2.830 10 0 AFAERN CC1(C)C[C@H]1CC[C@]1(C)C[C@H]1CO 117101324 572403974 /nfs/dbraw/zinc/40/39/74/572403974.db2.gz QLLWVKWSZDDSHW-JFGNBEQYSA-N 0 0 182.307 2.831 10 0 AFAERN CCCSC(=O)c1ccccc1N 238233862 572404017 /nfs/dbraw/zinc/40/40/17/572404017.db2.gz QHTJACCAGZYCBA-UHFFFAOYSA-N 0 0 195.287 2.552 10 0 AFAERN CC(C)(C)OC(=O)C[C@H]1C=CCC1 87222856 572404091 /nfs/dbraw/zinc/40/40/91/572404091.db2.gz DCWZDWRGSJLHIP-VIFPVBQESA-N 0 0 182.263 2.684 10 0 AFAERN CCC(CC)Nc1nc(C)c(C)o1 76607225 572404168 /nfs/dbraw/zinc/40/41/68/572404168.db2.gz KFOLCGOHGOGZPW-UHFFFAOYSA-N 0 0 182.267 2.892 10 0 AFAERN CCC(CC)C(=O)[C@]1(C)CCCO1 87226920 572404189 /nfs/dbraw/zinc/40/41/89/572404189.db2.gz AJTPVLWXYMKTBL-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C(C(C)C)[C@@H]1C[C@H]1CO 308015717 572404226 /nfs/dbraw/zinc/40/42/26/572404226.db2.gz RMJUKAWUERSENP-VHSXEESVSA-N 0 0 170.296 2.543 10 0 AFAERN CC[C@@H](C)CC(=O)[C@@]1(C)CCCO1 87226634 572404233 /nfs/dbraw/zinc/40/42/33/572404233.db2.gz VULFVMXBACXCCZ-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCC[C@](C)(OC)C(C)=O 117094589 572404244 /nfs/dbraw/zinc/40/42/44/572404244.db2.gz NRCRZCKODSSWCM-NSHDSACASA-N 0 0 186.295 2.951 10 0 AFAERN CC(C)CCC(=O)[C@@]1(C)CCCO1 87226693 572404272 /nfs/dbraw/zinc/40/42/72/572404272.db2.gz HCOWXXJBUGNPNT-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCC[C@@H]1N=C[C@@H](CC)[C@@H](CCC)N1 238234074 572404290 /nfs/dbraw/zinc/40/42/90/572404290.db2.gz AMCIRVYAYPDXSX-IJLUTSLNSA-N 0 0 196.338 2.982 10 0 AFAERN CC(C)C(C(C)C)[C@H]1C[C@@H]1CO 308015718 572404366 /nfs/dbraw/zinc/40/43/66/572404366.db2.gz RMJUKAWUERSENP-ZJUUUORDSA-N 0 0 170.296 2.543 10 0 AFAERN CCCc1nc(C)c(COC)s1 308015742 572404413 /nfs/dbraw/zinc/40/44/13/572404413.db2.gz ROYLCKVZVKIPAG-UHFFFAOYSA-N 0 0 185.292 2.550 10 0 AFAERN CCC/C=C/[C@@H](C)CC(C)=O 117098541 572404427 /nfs/dbraw/zinc/40/44/27/572404427.db2.gz ZRLJOFUVFFMJEC-XCODYQFDSA-N 0 0 154.253 2.958 10 0 AFAERN CC(C)C(C(C)C)[C@@H]1C[C@@H]1CO 308015715 572404431 /nfs/dbraw/zinc/40/44/31/572404431.db2.gz RMJUKAWUERSENP-NXEZZACHSA-N 0 0 170.296 2.543 10 0 AFAERN CC[C@H](CC(C)C)[C@@]1(O)C[C@H]1C 308015904 572404437 /nfs/dbraw/zinc/40/44/37/572404437.db2.gz FSZOMMXSYOZCLA-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H]1C=CCCCC[C@H]1O 308015767 572404451 /nfs/dbraw/zinc/40/44/51/572404451.db2.gz RRJUEMHGVPXJNS-GHMZBOCLSA-N 0 0 168.280 2.750 10 0 AFAERN CCCCC[C@](C)(OC)C(C)=O 117095515 572404473 /nfs/dbraw/zinc/40/44/73/572404473.db2.gz VYVYCSZFWFNUAN-JTQLQIEISA-N 0 0 172.268 2.561 10 0 AFAERN CC(C)C(C(C)C)[C@H]1C[C@H]1CO 308015716 572404475 /nfs/dbraw/zinc/40/44/75/572404475.db2.gz RMJUKAWUERSENP-UWVGGRQHSA-N 0 0 170.296 2.543 10 0 AFAERN CCCC/C(=C\[C@@H]1CCCO1)CCO 238233901 572404782 /nfs/dbraw/zinc/40/47/82/572404782.db2.gz ZVUGULPZUVHNLB-IIANPFDCSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@H](C)CC(=O)[C@@]1(C)CCCO1 87226635 572404898 /nfs/dbraw/zinc/40/48/98/572404898.db2.gz VULFVMXBACXCCZ-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)(C)OC(=O)C[C@@H]1C=CCC1 87222858 572404916 /nfs/dbraw/zinc/40/49/16/572404916.db2.gz DCWZDWRGSJLHIP-SECBINFHSA-N 0 0 182.263 2.684 10 0 AFAERN CC[C@H](CC(C)C)[C@]1(O)C[C@H]1C 308015907 572405199 /nfs/dbraw/zinc/40/51/99/572405199.db2.gz FSZOMMXSYOZCLA-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN CCCSC(=O)NCCC(C)C 238233606 572405255 /nfs/dbraw/zinc/40/52/55/572405255.db2.gz USHHPVAULYYKTG-UHFFFAOYSA-N 0 0 189.324 2.885 10 0 AFAERN CCCCO[C@@H]1C=C[C@H]1OCCCC 238233620 572405397 /nfs/dbraw/zinc/40/53/97/572405397.db2.gz BCOKVXRVUFQTJY-VXGBXAGGSA-N 0 0 198.306 2.927 10 0 AFAERN CCC[C@H](C[C@H](C)O)c1ccccn1 238233717 572405400 /nfs/dbraw/zinc/40/54/00/572405400.db2.gz NCLNIEDKCFIMJY-WDEREUQCSA-N 0 0 193.290 2.736 10 0 AFAERN C=C/C=C\CC[C@@](O)(COC)C(C)C 713703120 572405401 /nfs/dbraw/zinc/40/54/01/572405401.db2.gz XPUHHQCRVSHTEJ-ZHRWSRJISA-N 0 0 198.306 2.542 10 0 AFAERN CC[C@H](C)CC(=O)[C@]1(C)CCCO1 87226633 572405639 /nfs/dbraw/zinc/40/56/39/572405639.db2.gz VULFVMXBACXCCZ-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CCCSC(C)(C)CC(C)=O 238234109 572405708 /nfs/dbraw/zinc/40/57/08/572405708.db2.gz PAPWNWRJRFCRRU-UHFFFAOYSA-N 0 0 174.309 2.887 10 0 AFAERN CCCOC(=O)c1cccn1C(C)C 87222800 572405720 /nfs/dbraw/zinc/40/57/20/572405720.db2.gz BEWFSIVDNWMSPD-UHFFFAOYSA-N 0 0 195.262 2.636 10 0 AFAERN C[C@@H](O)c1ccc(-c2ccccc2)o1 52924754 572405817 /nfs/dbraw/zinc/40/58/17/572405817.db2.gz YZWIPFSENQXITF-SECBINFHSA-N 0 0 188.226 3.000 10 0 AFAERN C=Cn1cccc1[C@H](O)c1ccccc1 238718802 572405913 /nfs/dbraw/zinc/40/59/13/572405913.db2.gz NMKGVMQOUWFILH-CYBMUJFWSA-N 0 0 199.253 2.670 10 0 AFAERN CC1(C)CC[C@@H]2C[C@H](O)CC[C@@H]2C1 76607366 572405956 /nfs/dbraw/zinc/40/59/56/572405956.db2.gz XKWZRAXPQZOCBO-GMTAPVOTSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H](O)c1ccc(-c2ccccc2)o1 52924753 572405987 /nfs/dbraw/zinc/40/59/87/572405987.db2.gz YZWIPFSENQXITF-VIFPVBQESA-N 0 0 188.226 3.000 10 0 AFAERN CCCCCC(=O)[C@@]1(C)CCCO1 87226617 572406018 /nfs/dbraw/zinc/40/60/18/572406018.db2.gz HBDRPSMEGRQKNN-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN CCCC[C@H](O)COC(C)(C)CC 238233890 572406056 /nfs/dbraw/zinc/40/60/56/572406056.db2.gz KQTKRAFJVXXIQS-JTQLQIEISA-N 0 0 188.311 2.743 10 0 AFAERN CCC(CC)C(=O)[C@@]1(C)CCCO1 87226921 572406093 /nfs/dbraw/zinc/40/60/93/572406093.db2.gz AJTPVLWXYMKTBL-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CC/C=C(/C)C(=O)OC(C)(C)C 87222849 572406336 /nfs/dbraw/zinc/40/63/36/572406336.db2.gz FJIZXSCSAUHRPP-FPLPWBNLSA-N 0 0 170.252 2.684 10 0 AFAERN CC[C@H](C)OCc1ccc(N)c(F)c1 87225713 572406382 /nfs/dbraw/zinc/40/63/82/572406382.db2.gz DKGVTSHCJNJEMW-QMMMGPOBSA-N 0 0 197.253 2.723 10 0 AFAERN c1coc(NC2CCCCCC2)n1 76604218 572409871 /nfs/dbraw/zinc/40/98/71/572409871.db2.gz YXNPSHPYVVXMSQ-UHFFFAOYSA-N 0 0 180.251 2.809 10 0 AFAERN CCCCC[C@H]1C[C@]1(C)CO 117103873 572406455 /nfs/dbraw/zinc/40/64/55/572406455.db2.gz XKMHQXKUXWJNIL-VHSXEESVSA-N 0 0 156.269 2.585 10 0 AFAERN CCCCCC[C@@](C)(OC)C(C)=O 117094587 572406619 /nfs/dbraw/zinc/40/66/19/572406619.db2.gz NRCRZCKODSSWCM-LLVKDONJSA-N 0 0 186.295 2.951 10 0 AFAERN CC1(C)C[C@@H]1CC[C@]1(C)C[C@@H]1CO 117101312 572406628 /nfs/dbraw/zinc/40/66/28/572406628.db2.gz QLLWVKWSZDDSHW-HOSYDEDBSA-N 0 0 182.307 2.831 10 0 AFAERN CC(C)CCC(=O)[C@]1(C)CCCO1 87226692 572406638 /nfs/dbraw/zinc/40/66/38/572406638.db2.gz HCOWXXJBUGNPNT-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCCCC[C@@](C)(OC)C(C)=O 117095511 572406823 /nfs/dbraw/zinc/40/68/23/572406823.db2.gz VYVYCSZFWFNUAN-SNVBAGLBSA-N 0 0 172.268 2.561 10 0 AFAERN CC(C)(C)CCC(=O)[C@]1(C)CCCO1 87226675 572406853 /nfs/dbraw/zinc/40/68/53/572406853.db2.gz UQCONYGVEYWGRH-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCC/C=C/[C@H](C)CC(C)=O 117098543 572406866 /nfs/dbraw/zinc/40/68/66/572406866.db2.gz ZRLJOFUVFFMJEC-UCUJLANTSA-N 0 0 154.253 2.958 10 0 AFAERN CC1(C)CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 76607371 572406875 /nfs/dbraw/zinc/40/68/75/572406875.db2.gz XKWZRAXPQZOCBO-MXWKQRLJSA-N 0 0 182.307 2.974 10 0 AFAERN CCC[C@@H](C)CC(=O)[C@]1(C)CCCO1 87226818 572406962 /nfs/dbraw/zinc/40/69/62/572406962.db2.gz VZVQJXNTGODHLT-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCC[C@@H]1C[C@@]1(C)CO 117103865 572406978 /nfs/dbraw/zinc/40/69/78/572406978.db2.gz XKMHQXKUXWJNIL-ZJUUUORDSA-N 0 0 156.269 2.585 10 0 AFAERN CC1(C)C[C@H]1CC[C@@]1(C)C[C@@H]1CO 117101309 572406987 /nfs/dbraw/zinc/40/69/87/572406987.db2.gz QLLWVKWSZDDSHW-FOGDFJRCSA-N 0 0 182.307 2.831 10 0 AFAERN C=Cc1ccccc1C[C@H](O)C(C)C 238792643 572407048 /nfs/dbraw/zinc/40/70/48/572407048.db2.gz CYSKGSIXCXVVQP-ZDUSSCGKSA-N 0 0 190.286 2.889 10 0 AFAERN CCCCCCc1ccnc(CO)c1 238232019 572407077 /nfs/dbraw/zinc/40/70/77/572407077.db2.gz LHJAIJCQUUNRJM-UHFFFAOYSA-N 0 0 193.290 2.697 10 0 AFAERN CCC[C@@H](C)CC(=O)[C@@]1(C)CCCO1 87226820 572407119 /nfs/dbraw/zinc/40/71/19/572407119.db2.gz VZVQJXNTGODHLT-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)CC/C=C\CCCC[C@H](C)O 238762473 572407139 /nfs/dbraw/zinc/40/71/39/572407139.db2.gz OBWKBNXEXLTTJV-FHMRSRPSSA-N 0 0 198.306 2.853 10 0 AFAERN CCC[C@H](C)CC(=O)[C@]1(C)CCCO1 87226819 572407166 /nfs/dbraw/zinc/40/71/66/572407166.db2.gz VZVQJXNTGODHLT-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H](C)OCc1ccc(N)c(F)c1 87225711 572407235 /nfs/dbraw/zinc/40/72/35/572407235.db2.gz DKGVTSHCJNJEMW-MRVPVSSYSA-N 0 0 197.253 2.723 10 0 AFAERN CC[C@@H](C)CC(=O)[C@]1(C)CCCO1 87226632 572407303 /nfs/dbraw/zinc/40/73/03/572407303.db2.gz VULFVMXBACXCCZ-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCC(=O)[C@]1(C)CCCO1 87226616 572407384 /nfs/dbraw/zinc/40/73/84/572407384.db2.gz HBDRPSMEGRQKNN-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CC/C=C/CC(=O)[C@H](CO)CCCC 238792686 572407386 /nfs/dbraw/zinc/40/73/86/572407386.db2.gz FPBXNLXJSLRCMJ-ZRQQLDRUSA-N 0 0 198.306 2.711 10 0 AFAERN C/C=C/CCC(=O)[C@H](CO)CCCC 238792685 572407447 /nfs/dbraw/zinc/40/74/47/572407447.db2.gz GGDJHFWSJRYWAP-TZNOJPMFSA-N 0 0 198.306 2.711 10 0 AFAERN CCC1=NC=C[C@H]2c3ccccc3N[C@@H]12 238779535 572407471 /nfs/dbraw/zinc/40/74/71/572407471.db2.gz JQCCOYPIJNWHDP-GXFFZTMASA-N 0 0 198.269 2.943 10 0 AFAERN CC/C=C\CCC/C=C/CO 238761487 572407545 /nfs/dbraw/zinc/40/75/45/572407545.db2.gz NBYIXRHJJYORAJ-VHPFQHCPSA-N 0 0 154.253 2.671 10 0 AFAERN CCCCC(=O)[C@H](CO)CCCC 238792684 572407550 /nfs/dbraw/zinc/40/75/50/572407550.db2.gz VMJKUQNEZXHIJQ-JTQLQIEISA-N 0 0 186.295 2.544 10 0 AFAERN C[C@H](O)CC/C=C\c1ccc(O)cc1 238758726 572407895 /nfs/dbraw/zinc/40/78/95/572407895.db2.gz STYRLFQQFODVTQ-ATPLWMGHSA-N 0 0 192.258 2.566 10 0 AFAERN CC(=O)CC/C=C\c1ccc(O)cc1 238760828 572407966 /nfs/dbraw/zinc/40/79/66/572407966.db2.gz RTFMLNKUESXVNS-HYXAFXHYSA-N 0 0 190.242 2.775 10 0 AFAERN CCc1nc([C@@H]2CCCC[C@H]2C)n[nH]1 714409262 572407987 /nfs/dbraw/zinc/40/79/87/572407987.db2.gz GMHYLDDXTOJEFZ-RKDXNWHRSA-N 0 0 193.294 2.661 10 0 AFAERN C[C@H](O)CC/C=C/c1ccc(O)cc1 238758740 572408049 /nfs/dbraw/zinc/40/80/49/572408049.db2.gz STYRLFQQFODVTQ-GFAPAMAISA-N 0 0 192.258 2.566 10 0 AFAERN CC=C=C[C@H](CO)CCCC 238792691 572408108 /nfs/dbraw/zinc/40/81/08/572408108.db2.gz FTFXDUPTHIWSIE-MDNDIQLQSA-N 0 0 154.253 2.516 10 0 AFAERN CCCCO[C@@H](C)C(=O)CCC 238232103 572408137 /nfs/dbraw/zinc/40/81/37/572408137.db2.gz UWPLNMZQOWDOSG-VIFPVBQESA-N 0 0 172.268 2.561 10 0 AFAERN CC1CCC(Nc2ccon2)CC1 76604224 572408210 /nfs/dbraw/zinc/40/82/10/572408210.db2.gz JDNVDJWWXISNBI-UHFFFAOYSA-N 0 0 180.251 2.665 10 0 AFAERN CCCCCCc1coc(CO)c1 238232363 572408344 /nfs/dbraw/zinc/40/83/44/572408344.db2.gz CBBVSUSHNGOSJI-UHFFFAOYSA-N 0 0 182.263 2.895 10 0 AFAERN Cc1cc(C)c(CCCO)cc1C 44382442 572408382 /nfs/dbraw/zinc/40/83/82/572408382.db2.gz XUODKRYEBBNXJG-UHFFFAOYSA-N 0 0 178.275 2.537 10 0 AFAERN CCC[C@H](C)C[C@H](O)[C@@H]1C[C@@H]1C 83807918 572408413 /nfs/dbraw/zinc/40/84/13/572408413.db2.gz ZRPOJMCJVHJQRX-MMWGEVLESA-N 0 0 170.296 2.830 10 0 AFAERN C=C[Si](C)(C)[C@@H](CCC)CCO 238795572 572411044 /nfs/dbraw/zinc/41/10/44/572411044.db2.gz USSZVIBHFPIGDK-JTQLQIEISA-N 0 0 186.371 2.973 10 0 AFAERN C[C@@H](O)/C=C\c1sccc1Cl 394063863 572408638 /nfs/dbraw/zinc/40/86/38/572408638.db2.gz SOJKTJQHNROKAB-VROIDLATSA-N 0 0 188.679 2.796 10 0 AFAERN O[C@@H]1CCC2=CC=CC3=CC=CC1=C2C3 238714984 572408650 /nfs/dbraw/zinc/40/86/50/572408650.db2.gz LQHGSKQYNDSCLE-CQSZACIVSA-N 0 0 198.265 2.820 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)CCc1ccsc1 83807667 572408828 /nfs/dbraw/zinc/40/88/28/572408828.db2.gz LIFVIGFRZKCVPI-DVVUODLYSA-N 0 0 196.315 2.698 10 0 AFAERN CCCCC/C=C/C1(CO)CC1 238235111 572412734 /nfs/dbraw/zinc/41/27/34/572412734.db2.gz DUHZAWWPQGQRCG-VOTSOKGWSA-N 0 0 168.280 2.895 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)CCc1ccsc1 83807670 572409256 /nfs/dbraw/zinc/40/92/56/572409256.db2.gz LIFVIGFRZKCVPI-FBIMIBRVSA-N 0 0 196.315 2.698 10 0 AFAERN CCCC[C@@H]1NC(=O)N=C[C@@H]1CCC 238795304 572409292 /nfs/dbraw/zinc/40/92/92/572409292.db2.gz HJIJNJPWVNNFDE-UWVGGRQHSA-N 0 0 196.294 2.756 10 0 AFAERN CCCCCC[C@H](O)[C@H]1C[C@@H]1C 83807737 572409317 /nfs/dbraw/zinc/40/93/17/572409317.db2.gz HZPOBNSVZISCNG-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)CCC(C)(C)C 83807661 572409342 /nfs/dbraw/zinc/40/93/42/572409342.db2.gz JXUYFCBZJWTHNB-KXUCPTDWSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cccc2[nH]c(Cl)c(N)c12 76604707 572411213 /nfs/dbraw/zinc/41/12/13/572411213.db2.gz GAWXOTDVDAYOEE-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN CCC[C@@H](CC)CNC(=O)OCC 238794997 572409468 /nfs/dbraw/zinc/40/94/68/572409468.db2.gz BYRRITIEJLFEBF-SECBINFHSA-N 0 0 187.283 2.559 10 0 AFAERN c1cc(NC2CCCCCC2)no1 76604206 572409514 /nfs/dbraw/zinc/40/95/14/572409514.db2.gz PJGKXXRKRWFDQF-UHFFFAOYSA-N 0 0 180.251 2.809 10 0 AFAERN CCCCCC[C@H](O)[C@@H]1C[C@@H]1C 83807732 572409556 /nfs/dbraw/zinc/40/95/56/572409556.db2.gz HZPOBNSVZISCNG-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)CCC(C)(C)C 83807664 572409611 /nfs/dbraw/zinc/40/96/11/572409611.db2.gz JXUYFCBZJWTHNB-OPRDCNLKSA-N 0 0 170.296 2.830 10 0 AFAERN CCCC[C@@H]1NC(=O)C[C@H](C)[C@@H]1CC 238795293 572409738 /nfs/dbraw/zinc/40/97/38/572409738.db2.gz ONACZNHEVPUCBO-DCAQKATOSA-N 0 0 197.322 2.727 10 0 AFAERN C=C=CC(C)(C)[C@@H](O)CCCC 238232194 572409799 /nfs/dbraw/zinc/40/97/99/572409799.db2.gz ZCUAKXYHVWYFGN-JTQLQIEISA-N 0 0 168.280 2.905 10 0 AFAERN CCCC[C@@H]1NC(=O)N=C[C@H]1CCC 238795306 572410097 /nfs/dbraw/zinc/41/00/97/572410097.db2.gz HJIJNJPWVNNFDE-ZJUUUORDSA-N 0 0 196.294 2.756 10 0 AFAERN Cc1ccc([C@H](O)CCC2CC2)nc1 235914135 572410174 /nfs/dbraw/zinc/41/01/74/572410174.db2.gz HHYBGQISWIPBHV-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CCCCC[C@H](CCO)CCOC 238232549 572410207 /nfs/dbraw/zinc/41/02/07/572410207.db2.gz ZZSYWTQMZKQFJD-LLVKDONJSA-N 0 0 188.311 2.602 10 0 AFAERN c1cc(NC2CCCCCC2)n[nH]1 76603475 572410250 /nfs/dbraw/zinc/41/02/50/572410250.db2.gz GIHBJRDUNGYLEG-UHFFFAOYSA-N 0 0 179.267 2.544 10 0 AFAERN CC(C)c1n[nH]c(C2CCCCC2)n1 44376578 572410340 /nfs/dbraw/zinc/41/03/40/572410340.db2.gz VWDXWBOOGOGOCG-UHFFFAOYSA-N 0 0 193.294 2.976 10 0 AFAERN Cc1ccc2ccccc2c1CCO 44379682 572410502 /nfs/dbraw/zinc/41/05/02/572410502.db2.gz KOUXLZGHZJLSHJ-UHFFFAOYSA-N 0 0 186.254 2.683 10 0 AFAERN Cc1nc(NC2CCCC2)oc1C 76604213 572410524 /nfs/dbraw/zinc/41/05/24/572410524.db2.gz HOCDHJYTJMSWQS-UHFFFAOYSA-N 0 0 180.251 2.646 10 0 AFAERN CC1CCC(Nc2ncco2)CC1 76604221 572410618 /nfs/dbraw/zinc/41/06/18/572410618.db2.gz QXBWQUYRIYVBAO-UHFFFAOYSA-N 0 0 180.251 2.665 10 0 AFAERN CCCC[C@H](O)Cc1ccc(C)o1 238234379 572412895 /nfs/dbraw/zinc/41/28/95/572412895.db2.gz VDZWEMZGGVVEFI-JTQLQIEISA-N 0 0 182.263 2.682 10 0 AFAERN CCCC[C@@H](CO)c1ccc(C)o1 238792756 572410988 /nfs/dbraw/zinc/41/09/88/572410988.db2.gz IQFHTLDVRCWCTO-JTQLQIEISA-N 0 0 182.263 2.854 10 0 AFAERN CCCC[C@@H](CO)Oc1ccccc1 238792738 572411109 /nfs/dbraw/zinc/41/11/09/572411109.db2.gz LJVTZMQWZXOLDJ-LBPRGKRZSA-N 0 0 194.274 2.617 10 0 AFAERN OC[C@H]1CC1(CC1CC1)CC1CC1 238716402 572411198 /nfs/dbraw/zinc/41/11/98/572411198.db2.gz FSEIEKMCMNUYTG-LLVKDONJSA-N 0 0 180.291 2.585 10 0 AFAERN CCCC(=O)N[C@@H](CC)C(C)(C)C 238234462 572411302 /nfs/dbraw/zinc/41/13/02/572411302.db2.gz IHDFPXKNKNWWDE-VIFPVBQESA-N 0 0 185.311 2.727 10 0 AFAERN CCC[C@@H](CO)Sc1ccccc1 238795796 572411337 /nfs/dbraw/zinc/41/13/37/572411337.db2.gz PNVVREPMIPHIQQ-NSHDSACASA-N 0 0 196.315 2.940 10 0 AFAERN C/C=C\c1ccccc1NC 206981694 572411394 /nfs/dbraw/zinc/41/13/94/572411394.db2.gz INANENBEZXUXFC-UTCJRWHESA-N 0 0 147.221 2.761 10 0 AFAERN Cc1ccc2c(N)c(Cl)[nH]c2c1 76604705 572411404 /nfs/dbraw/zinc/41/14/04/572411404.db2.gz ACVFZDRRRAVLHM-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN CCCCC/C=C(/C)[C@@H](C)O 238234405 572413848 /nfs/dbraw/zinc/41/38/48/572413848.db2.gz KHSROMAFQUYPFL-HSTULFTRSA-N 0 0 156.269 2.894 10 0 AFAERN CCC[C@H](C=C=CC(C)C)CO 238795752 572411759 /nfs/dbraw/zinc/41/17/59/572411759.db2.gz WEPNGWGCKINKDJ-JDLXGLENSA-N 0 0 168.280 2.762 10 0 AFAERN CCCSCC(C)(C)C(C)=O 238234620 572411905 /nfs/dbraw/zinc/41/19/05/572411905.db2.gz QUJYNBGHEOGWKJ-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN Cc1sc(CN(C)O)cc1Cl 214669974 572411969 /nfs/dbraw/zinc/41/19/69/572411969.db2.gz PKXVONKPCIJTCD-UHFFFAOYSA-N 0 0 191.683 2.531 10 0 AFAERN CCC[C@@]1(C(C)C)CC[C@@H](C(N)=O)C1 238234455 572412012 /nfs/dbraw/zinc/41/20/12/572412012.db2.gz PRJIKSWSVXOQFZ-ZYHUDNBSSA-N 0 0 197.322 2.714 10 0 AFAERN CCCCO[C@H](C)/C=C/C[C@@H](C)O 238235220 572412018 /nfs/dbraw/zinc/41/20/18/572412018.db2.gz OAYYBTISWBIRPK-AQKAQLFCSA-N 0 0 186.295 2.519 10 0 AFAERN Cc1ccc2[nH]c(Cl)c(N)c2c1 76604710 572412399 /nfs/dbraw/zinc/41/23/99/572412399.db2.gz UCFMASWXBNBOGM-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN CCCC[C@H](O)C[Si](C)(C)C 238234312 572412440 /nfs/dbraw/zinc/41/24/40/572412440.db2.gz PDQHRPKQCCMRHZ-VIFPVBQESA-N 0 0 174.360 2.876 10 0 AFAERN CC(C)c1ccc(C(C)C)n1CCO 238234514 572412652 /nfs/dbraw/zinc/41/26/52/572412652.db2.gz OFTWROICONUAOL-UHFFFAOYSA-N 0 0 195.306 2.727 10 0 AFAERN CCCCCCc1nc(C=O)c(C)[nH]1 238232908 572412717 /nfs/dbraw/zinc/41/27/17/572412717.db2.gz PKUPNLAQESUTQH-UHFFFAOYSA-N 0 0 194.278 2.653 10 0 AFAERN CCOC(=O)N1CCC(CC)(CC)C1 87259695 572412937 /nfs/dbraw/zinc/41/29/37/572412937.db2.gz JYGWKBPXGHSKKE-UHFFFAOYSA-N 0 0 199.294 2.655 10 0 AFAERN CCCC[C@@H](O)C[Si](C)(C)C 238794225 572412959 /nfs/dbraw/zinc/41/29/59/572412959.db2.gz PDQHRPKQCCMRHZ-SECBINFHSA-N 0 0 174.360 2.876 10 0 AFAERN Cc1cccc2c(N)c(Cl)[nH]c12 76604715 572413106 /nfs/dbraw/zinc/41/31/06/572413106.db2.gz IARWNFUUHXMDTK-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN CCCCC/C=C(/CC)OCCO 238234561 572413176 /nfs/dbraw/zinc/41/31/76/572413176.db2.gz ZNNRINQWKHYZTP-FLIBITNWSA-N 0 0 186.295 2.870 10 0 AFAERN CCCCC(F)(F)CCCO 238233012 572413300 /nfs/dbraw/zinc/41/33/00/572413300.db2.gz MUQVYKDQRVJADS-UHFFFAOYSA-N 0 0 166.211 2.584 10 0 AFAERN C/C=C/C(=O)N1CCC(CC)(CC)C1 87263296 572413340 /nfs/dbraw/zinc/41/33/40/572413340.db2.gz BLWSJERNIFUGKA-QPJJXVBHSA-N 0 0 195.306 2.601 10 0 AFAERN CCC[C@@]1(C(C)C)CC[C@H](C(N)=O)C1 238234468 572413369 /nfs/dbraw/zinc/41/33/69/572413369.db2.gz PRJIKSWSVXOQFZ-CMPLNLGQSA-N 0 0 197.322 2.714 10 0 AFAERN CCCC[C@@H](O)Cc1ccc(C)o1 238794229 572413422 /nfs/dbraw/zinc/41/34/22/572413422.db2.gz VDZWEMZGGVVEFI-SNVBAGLBSA-N 0 0 182.263 2.682 10 0 AFAERN CCCCO[C@H](C)/C=C/C[C@H](C)O 238235230 572413516 /nfs/dbraw/zinc/41/35/16/572413516.db2.gz OAYYBTISWBIRPK-YBFGJNSCSA-N 0 0 186.295 2.519 10 0 AFAERN CCCC[C@@H](O)COC(C)(C)CC 238794199 572413552 /nfs/dbraw/zinc/41/35/52/572413552.db2.gz KQTKRAFJVXXIQS-SNVBAGLBSA-N 0 0 188.311 2.743 10 0 AFAERN CCCCO[C@H](C)C(=O)CCC 238234649 572413599 /nfs/dbraw/zinc/41/35/99/572413599.db2.gz UWPLNMZQOWDOSG-SECBINFHSA-N 0 0 172.268 2.561 10 0 AFAERN Cc1cccc(Cl)c1CCCO 44396026 572413681 /nfs/dbraw/zinc/41/36/81/572413681.db2.gz UQPJRAQNYUCXDA-UHFFFAOYSA-N 0 0 184.666 2.573 10 0 AFAERN CCCCC/C=C(/C)[C@H](C)O 238234488 572414028 /nfs/dbraw/zinc/41/40/28/572414028.db2.gz KHSROMAFQUYPFL-QROTZFDESA-N 0 0 156.269 2.894 10 0 AFAERN CCN(CC)C(=S)c1cccs1 238234701 572414449 /nfs/dbraw/zinc/41/44/49/572414449.db2.gz LXWIQQNQPNHJAW-UHFFFAOYSA-N 0 0 199.344 2.765 10 0 AFAERN CCC1(C(=O)CSC)CCCC1 87317023 572414203 /nfs/dbraw/zinc/41/42/03/572414203.db2.gz PPMJBOUOLPIZDB-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CCCC(=O)N[C@H](CC)C(C)(C)C 238235202 572414504 /nfs/dbraw/zinc/41/45/04/572414504.db2.gz IHDFPXKNKNWWDE-SECBINFHSA-N 0 0 185.311 2.727 10 0 AFAERN CSCCC(=O)C1(C)CCCC1 87317019 572414557 /nfs/dbraw/zinc/41/45/57/572414557.db2.gz MKYFLALRXKDQPO-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CCC[C@@]1(C)C[C@H]1CNC(=O)OCC 238236369 572414801 /nfs/dbraw/zinc/41/48/01/572414801.db2.gz RJWVDBHEMIAJPS-ONGXEEELSA-N 0 0 199.294 2.559 10 0 AFAERN CC(C)[C@@H](O)/C=C/C[Si](C)(C)C 238793148 572414845 /nfs/dbraw/zinc/41/48/45/572414845.db2.gz LWCUKLXRRLJPSV-FGEFZZPRSA-N 0 0 186.371 2.898 10 0 AFAERN CCC[C@H](F)C(=O)[C@@H](F)CCC 238236244 572414869 /nfs/dbraw/zinc/41/48/69/572414869.db2.gz HWICUPMPJHACFM-YUMQZZPRSA-N 0 0 178.222 2.832 10 0 AFAERN CCCC[C@@](C)(NC=O)C(C)(C)C 238795951 572414841 /nfs/dbraw/zinc/41/48/41/572414841.db2.gz JSKHZJOQPHSVEP-LLVKDONJSA-N 0 0 185.311 2.727 10 0 AFAERN CCCC[C@@H](O)CC=C(C)C 238794169 572414967 /nfs/dbraw/zinc/41/49/67/572414967.db2.gz LHCBKHFCDFZAQO-SNVBAGLBSA-N 0 0 156.269 2.894 10 0 AFAERN CCOC(=N)[C@H]1CC[C@H](CC)C1 83802740 572415197 /nfs/dbraw/zinc/41/51/97/572415197.db2.gz KYMOSKAXXSBFBI-IUCAKERBSA-N 0 0 169.268 2.826 10 0 AFAERN C=C=CC(C)(C)[C@H](O)CCCC 238794093 572415221 /nfs/dbraw/zinc/41/52/21/572415221.db2.gz ZCUAKXYHVWYFGN-SNVBAGLBSA-N 0 0 168.280 2.905 10 0 AFAERN CCCCO[C@H]1C=C[C@@H]1OCCCC 238235978 572415239 /nfs/dbraw/zinc/41/52/39/572415239.db2.gz BCOKVXRVUFQTJY-RYUDHWBXSA-N 0 0 198.306 2.927 10 0 AFAERN CCC[C@H](O)[C@H]1CC[C@H](CC)C1 83798827 572415244 /nfs/dbraw/zinc/41/52/44/572415244.db2.gz VWIWWFDTQYCIKT-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H](O)[C@@H]1CC[C@H](CC)C1 83798824 572415374 /nfs/dbraw/zinc/41/53/74/572415374.db2.gz VWIWWFDTQYCIKT-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1CC[C@H]([C@H](O)CC2CC2)C1 83799577 572415540 /nfs/dbraw/zinc/41/55/40/572415540.db2.gz JRKSREWQRAHHKK-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN CCCCC[C@H](O)C1=CC1(C)C 238237053 572415577 /nfs/dbraw/zinc/41/55/77/572415577.db2.gz BNICUJLFJOOISA-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN CCCC[C@@]1(OCC)CC=C[C@H](O)C1 238796447 572415851 /nfs/dbraw/zinc/41/58/51/572415851.db2.gz QFNWBGIGSAGDOM-NWDGAFQWSA-N 0 0 198.306 2.663 10 0 AFAERN CCCC[C@H](C(=O)CCC)[C@H](C)O 238794558 572415869 /nfs/dbraw/zinc/41/58/69/572415869.db2.gz OSORZJBYQDNSOT-UWVGGRQHSA-N 0 0 186.295 2.543 10 0 AFAERN CCCC[C@H](O)/C=C/c1ccco1 238237118 572415881 /nfs/dbraw/zinc/41/58/81/572415881.db2.gz PFAQWMONJZOPFG-JARNTUPDSA-N 0 0 180.247 2.844 10 0 AFAERN CCCC[C@H](C(N)=O)[C@H](C)CCC 238794546 572415980 /nfs/dbraw/zinc/41/59/80/572415980.db2.gz IBOZKQCXNNWGQR-ZJUUUORDSA-N 0 0 185.311 2.714 10 0 AFAERN CCC[C@@H](O)[C@H]1CC[C@H](CC)C1 83798828 572416029 /nfs/dbraw/zinc/41/60/29/572416029.db2.gz VWIWWFDTQYCIKT-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@H](O)/C=C/C=C/Cl 238236985 572416045 /nfs/dbraw/zinc/41/60/45/572416045.db2.gz MGPSARNGWISTPV-KHLWMFKJSA-N 0 0 174.671 2.846 10 0 AFAERN CCCC[C@@]1(C)[C@H](CO)C12C=CC=C2 238796292 572416065 /nfs/dbraw/zinc/41/60/65/572416065.db2.gz LVDTURSXRVBKLC-RYUDHWBXSA-N 0 0 192.302 2.917 10 0 AFAERN CCCCC[C@H](O)C=C(F)F 238237125 572416160 /nfs/dbraw/zinc/41/61/60/572416160.db2.gz ZFWRIKWEFFZMBJ-ZETCQYMHSA-N 0 0 164.195 2.708 10 0 AFAERN C=C/C=C\CCn1cccc1C(C)=O 713705933 572416302 /nfs/dbraw/zinc/41/63/02/572416302.db2.gz ZWKKTSFUZROCGJ-PLNGDYQASA-N 0 0 189.258 2.823 10 0 AFAERN CCCCC[C@H](O)COCCCC 238237557 572416396 /nfs/dbraw/zinc/41/63/96/572416396.db2.gz BXDKZIRMEBOPKA-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCCC[C@@]1(CC)SC=CNC1=O 238796343 572416698 /nfs/dbraw/zinc/41/66/98/572416698.db2.gz BNLMDVAUYBFCKX-SNVBAGLBSA-N 0 0 199.319 2.660 10 0 AFAERN CCC[C@H](F)C(=O)[C@H](F)CCC 238236257 572416797 /nfs/dbraw/zinc/41/67/97/572416797.db2.gz HWICUPMPJHACFM-OCAPTIKFSA-N 0 0 178.222 2.832 10 0 AFAERN CCCC[C@@H](SCC)C(C)=O 238794513 572417069 /nfs/dbraw/zinc/41/70/69/572417069.db2.gz PDOXAZAKELBLPB-SECBINFHSA-N 0 0 174.309 2.887 10 0 AFAERN CCCC[C@H](C(=O)CCC)[C@@H](C)O 238794525 572416862 /nfs/dbraw/zinc/41/68/62/572416862.db2.gz OSORZJBYQDNSOT-ZJUUUORDSA-N 0 0 186.295 2.543 10 0 AFAERN CCCC[C@@]1(C(F)(F)F)CCCN1 238796193 572416907 /nfs/dbraw/zinc/41/69/07/572416907.db2.gz UPYKHRMIDVSADZ-QMMMGPOBSA-N 0 0 195.228 2.861 10 0 AFAERN CC[C@@H]1CC[C@@H]([C@H](O)CC2CC2)C1 83799581 572417213 /nfs/dbraw/zinc/41/72/13/572417213.db2.gz JRKSREWQRAHHKK-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN CCCCO[P@@](C)(=O)CC=O 238237086 572417360 /nfs/dbraw/zinc/41/73/60/572417360.db2.gz PNENVIREKUNKOC-OKPNEXGHSA-N 0 0 178.168 2.740 10 0 AFAERN C[C@H]1C[C@H]1C(=O)CCc1ccccc1 83807203 572417877 /nfs/dbraw/zinc/41/78/77/572417877.db2.gz RVPVDWMNICYWDP-CMPLNLGQSA-N 0 0 188.270 2.844 10 0 AFAERN CCCC[C@@]1(C)[C@@H](CO)C12C=CC=C2 238796290 572417494 /nfs/dbraw/zinc/41/74/94/572417494.db2.gz LVDTURSXRVBKLC-NEPJUHHUSA-N 0 0 192.302 2.917 10 0 AFAERN CCCCC[C@H](O)/C(F)=C/F 238236955 572417547 /nfs/dbraw/zinc/41/75/47/572417547.db2.gz LZGMQXKOKRGPHE-UAPHAKCISA-N 0 0 164.195 2.708 10 0 AFAERN CCCC[C@@]1(OCC)CC=C[C@@H](O)C1 238796446 572417568 /nfs/dbraw/zinc/41/75/68/572417568.db2.gz QFNWBGIGSAGDOM-VXGBXAGGSA-N 0 0 198.306 2.663 10 0 AFAERN CCCC[C@H](O)c1cc(Cl)ccn1 238237228 572417575 /nfs/dbraw/zinc/41/75/75/572417575.db2.gz IRYPZYDOPPQHPG-JTQLQIEISA-N 0 0 199.681 2.959 10 0 AFAERN CCCC[C@H](C(N)=O)[C@@H](C)CCC 238794518 572417586 /nfs/dbraw/zinc/41/75/86/572417586.db2.gz IBOZKQCXNNWGQR-UWVGGRQHSA-N 0 0 185.311 2.714 10 0 AFAERN CCCCC[C@H](O)C(C)=C=COC 238236855 572417594 /nfs/dbraw/zinc/41/75/94/572417594.db2.gz ZSJKHBQXWKLPKC-LYNSQETBSA-N 0 0 184.279 2.633 10 0 AFAERN CCCC[C@H](O)c1ccc(C=O)cc1 238237341 572417657 /nfs/dbraw/zinc/41/76/57/572417657.db2.gz LOEQTVUDRUSYIX-LBPRGKRZSA-N 0 0 192.258 2.723 10 0 AFAERN CCCC[C@@H](O)/C=C/c1ccco1 238794437 572417679 /nfs/dbraw/zinc/41/76/79/572417679.db2.gz PFAQWMONJZOPFG-QROSGCPLSA-N 0 0 180.247 2.844 10 0 AFAERN CC(C)Cc1ccc(/C=C/CO)cc1 87317568 572417758 /nfs/dbraw/zinc/41/77/58/572417758.db2.gz VUBMWHMZUUVJLY-ONEGZZNKSA-N 0 0 190.286 2.891 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)CCc1ccsc1 83807136 572417822 /nfs/dbraw/zinc/41/78/22/572417822.db2.gz MBYIZPWGDCVIFP-WPRPVWTQSA-N 0 0 194.299 2.906 10 0 AFAERN CCCCO[P@](C)(=O)CC=O 238237304 572417893 /nfs/dbraw/zinc/41/78/93/572417893.db2.gz PNENVIREKUNKOC-ZRQQLDRUSA-N 0 0 178.168 2.740 10 0 AFAERN CCCC[C@@](CC)(CCC)C(N)=O 238796084 572417964 /nfs/dbraw/zinc/41/79/64/572417964.db2.gz TTWDDJQQDNPQIS-LLVKDONJSA-N 0 0 185.311 2.858 10 0 AFAERN CCCCCC(=O)[C@H]1C[C@H]1C 83806785 572418012 /nfs/dbraw/zinc/41/80/12/572418012.db2.gz DNXCSNJEXWLVKH-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCCC(=O)[C@@H]1C[C@H]1C 83806783 572418026 /nfs/dbraw/zinc/41/80/26/572418026.db2.gz DNXCSNJEXWLVKH-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cccc2c1N[C@H](C)c1cncn1-2 714411870 572418075 /nfs/dbraw/zinc/41/80/75/572418075.db2.gz POUMJUQZMZPYCM-SECBINFHSA-N 0 0 199.257 2.667 10 0 AFAERN CC(C)CC1(CNC#N)CCCC1 87309782 572418076 /nfs/dbraw/zinc/41/80/76/572418076.db2.gz UPZFRZMXLJUFTQ-UHFFFAOYSA-N 0 0 180.295 2.664 10 0 AFAERN CCCC[C@@H](O)c1cc(Cl)ccn1 238794442 572418089 /nfs/dbraw/zinc/41/80/89/572418089.db2.gz IRYPZYDOPPQHPG-SNVBAGLBSA-N 0 0 199.681 2.959 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)CCc1ccccc1 83807200 572418179 /nfs/dbraw/zinc/41/81/79/572418179.db2.gz RVPVDWMNICYWDP-JQWIXIFHSA-N 0 0 188.270 2.844 10 0 AFAERN CCCCO[C@H]1C=C[C@H]1OCCCC 238235995 572418183 /nfs/dbraw/zinc/41/81/83/572418183.db2.gz BCOKVXRVUFQTJY-TXEJJXNPSA-N 0 0 198.306 2.927 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)CCC(F)(F)F 83807165 572418205 /nfs/dbraw/zinc/41/82/05/572418205.db2.gz AQPKHABILMBMDW-RITPCOANSA-N 0 0 180.169 2.554 10 0 AFAERN CCCCCC(=O)[C@H]1C[C@@H]1C 83806781 572418733 /nfs/dbraw/zinc/41/87/33/572418733.db2.gz DNXCSNJEXWLVKH-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC[C@@H]1CCCC[C@H]1NC(C)=O 238794913 572418251 /nfs/dbraw/zinc/41/82/51/572418251.db2.gz WFVJQBVYSDAFGX-VXGBXAGGSA-N 0 0 197.322 2.872 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)CCc1ccsc1 83807134 572418265 /nfs/dbraw/zinc/41/82/65/572418265.db2.gz MBYIZPWGDCVIFP-SCZZXKLOSA-N 0 0 194.299 2.906 10 0 AFAERN C[C@H]1C[C@H]1C(=O)CCc1ccsc1 83807139 572418338 /nfs/dbraw/zinc/41/83/38/572418338.db2.gz MBYIZPWGDCVIFP-WCBMZHEXSA-N 0 0 194.299 2.906 10 0 AFAERN CCCCC[C@H](O)[C@@H]1C[C@@H]1C 83807452 572418743 /nfs/dbraw/zinc/41/87/43/572418743.db2.gz IVUUPOQQYQUYRE-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC[C@H]1C=C(OCCO)CCC1 238794891 572418438 /nfs/dbraw/zinc/41/84/38/572418438.db2.gz HYGBYZZCUXKBTA-LLVKDONJSA-N 0 0 198.306 2.870 10 0 AFAERN CCCC[C@H](/C=C/CCO)OCC 238794494 572418504 /nfs/dbraw/zinc/41/85/04/572418504.db2.gz DMBDDGSAYDASPH-OALRPVAKSA-N 0 0 186.295 2.520 10 0 AFAERN CCCC[C@@H]1CCCC[C@@H]1NC(C)=O 238794904 572418511 /nfs/dbraw/zinc/41/85/11/572418511.db2.gz WFVJQBVYSDAFGX-NEPJUHHUSA-N 0 0 197.322 2.872 10 0 AFAERN CCCC[C@H](O)[C@H](C)/C=C/Cl 238235886 572418712 /nfs/dbraw/zinc/41/87/12/572418712.db2.gz PCBWLNWDBXEYLT-BXELRRQVSA-N 0 0 176.687 2.926 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)CCc1cccs1 83806724 572418808 /nfs/dbraw/zinc/41/88/08/572418808.db2.gz ICVGSXYSFVUFSB-PSASIEDQSA-N 0 0 194.299 2.906 10 0 AFAERN CCCCCCC(=O)c1ncc[nH]1 87339309 572418822 /nfs/dbraw/zinc/41/88/22/572418822.db2.gz MVWXRPXGQAOCPJ-UHFFFAOYSA-N 0 0 180.251 2.563 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)CCC(F)(F)F 83807166 572418880 /nfs/dbraw/zinc/41/88/80/572418880.db2.gz AQPKHABILMBMDW-WDSKDSINSA-N 0 0 180.169 2.554 10 0 AFAERN CCC(C)(C)C[C@H](C)[C@@H](C)O 207036712 572418963 /nfs/dbraw/zinc/41/89/63/572418963.db2.gz IEXGNNOLSDXMTQ-DTWKUNHWSA-N 0 0 158.285 2.830 10 0 AFAERN Cn1c(C2CC2)cc2cccc(N)c21 76631781 572418992 /nfs/dbraw/zinc/41/89/92/572418992.db2.gz JAPIBQQVLOBQBX-UHFFFAOYSA-N 0 0 186.258 2.638 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)CCC[C@@H]1CCCO1 83806978 572419089 /nfs/dbraw/zinc/41/90/89/572419089.db2.gz JNRZOVNBOPDGAX-GMTAPVOTSA-N 0 0 196.290 2.561 10 0 AFAERN CCCCC[C@H](O)C[C@H]1C=CCCO1 238237638 572419194 /nfs/dbraw/zinc/41/91/94/572419194.db2.gz BQOOEPVGZCTEGD-NWDGAFQWSA-N 0 0 198.306 2.663 10 0 AFAERN C/C=C\N(/C=C/C)C(=O)C(C)(C)C 210633379 572419223 /nfs/dbraw/zinc/41/92/23/572419223.db2.gz YUZUEIDUJDDDDB-MKKAVFGOSA-N 0 0 181.279 2.928 10 0 AFAERN CC(C)CC[C@@H]1CCSCC1=O 76632085 572419354 /nfs/dbraw/zinc/41/93/54/572419354.db2.gz RWPKZIXISUGJAG-SECBINFHSA-N 0 0 186.320 2.745 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)CCc1cccs1 83807530 572419360 /nfs/dbraw/zinc/41/93/60/572419360.db2.gz WMCQQOOXBBZTFR-FBIMIBRVSA-N 0 0 196.315 2.698 10 0 AFAERN CCCCC[C@H](O)C[C@@H]1C=CCCO1 238237739 572419411 /nfs/dbraw/zinc/41/94/11/572419411.db2.gz BQOOEPVGZCTEGD-RYUDHWBXSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)CC[C@H]1CCSCC1=O 76632087 572419428 /nfs/dbraw/zinc/41/94/28/572419428.db2.gz RWPKZIXISUGJAG-VIFPVBQESA-N 0 0 186.320 2.745 10 0 AFAERN Cc1cc2n(c1)-c1ccccc1NC2 76628765 572419451 /nfs/dbraw/zinc/41/94/51/572419451.db2.gz OUICXUZAJIRHSF-UHFFFAOYSA-N 0 0 184.242 2.711 10 0 AFAERN C[C@H]1C[C@H]1C(=O)CCc1cccs1 83806725 572419456 /nfs/dbraw/zinc/41/94/56/572419456.db2.gz ICVGSXYSFVUFSB-WCBMZHEXSA-N 0 0 194.299 2.906 10 0 AFAERN CCOc1cccc([C@H](C)[C@H](C)O)c1 87334615 572419492 /nfs/dbraw/zinc/41/94/92/572419492.db2.gz CJAMORATGAUQIA-ZJUUUORDSA-N 0 0 194.274 2.570 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)CCc1ccsc1 83807137 572419497 /nfs/dbraw/zinc/41/94/97/572419497.db2.gz MBYIZPWGDCVIFP-PSASIEDQSA-N 0 0 194.299 2.906 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)CCc1cccs1 83806720 572419539 /nfs/dbraw/zinc/41/95/39/572419539.db2.gz ICVGSXYSFVUFSB-WPRPVWTQSA-N 0 0 194.299 2.906 10 0 AFAERN CC(C)(C)C[C@H]1CCSCC1=O 76632078 572419588 /nfs/dbraw/zinc/41/95/88/572419588.db2.gz FIWDCRZFFDGWKY-MRVPVSSYSA-N 0 0 186.320 2.745 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)CCc1cccs1 83806718 572419627 /nfs/dbraw/zinc/41/96/27/572419627.db2.gz ICVGSXYSFVUFSB-SCZZXKLOSA-N 0 0 194.299 2.906 10 0 AFAERN CCCC[C@H](C)CC(=S)NC 238796742 572419644 /nfs/dbraw/zinc/41/96/44/572419644.db2.gz BRFQBDIXQYRWRO-QMMMGPOBSA-N 0 0 173.325 2.750 10 0 AFAERN CCCC[C@H](C)[C@@H](C)C(=S)NC 238797095 572419659 /nfs/dbraw/zinc/41/96/59/572419659.db2.gz SLDQTUQLRCJBOH-DTWKUNHWSA-N 0 0 187.352 2.996 10 0 AFAERN CC[C@@H](C)[C@@H](O)[C@@H](C)/C=C/Cl 238796811 572419709 /nfs/dbraw/zinc/41/97/09/572419709.db2.gz OMRMXZYEYSSGQJ-PFSAKTOKSA-N 0 0 176.687 2.782 10 0 AFAERN CCCCCC(=O)[C@@H]1C[C@@H]1C 83806780 572419721 /nfs/dbraw/zinc/41/97/21/572419721.db2.gz DNXCSNJEXWLVKH-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)CCC[C@@H]1CCCO1 83806974 572419727 /nfs/dbraw/zinc/41/97/27/572419727.db2.gz JNRZOVNBOPDGAX-MXWKQRLJSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)CCc1cccs1 83807528 572419749 /nfs/dbraw/zinc/41/97/49/572419749.db2.gz WMCQQOOXBBZTFR-DVVUODLYSA-N 0 0 196.315 2.698 10 0 AFAERN CCOc1cccc([C@@H](C)[C@H](C)O)c1 87334613 572419767 /nfs/dbraw/zinc/41/97/67/572419767.db2.gz CJAMORATGAUQIA-UWVGGRQHSA-N 0 0 194.274 2.570 10 0 AFAERN C=C/C=C/C[C@H](O)[C@H](C)CC 238796734 572419834 /nfs/dbraw/zinc/41/98/34/572419834.db2.gz ZBFLTINZRJUMDK-YJOJJWFDSA-N 0 0 154.253 2.526 10 0 AFAERN CCCCC[C@H](O)[C@H]1C[C@@H]1C 83807454 572419887 /nfs/dbraw/zinc/41/98/87/572419887.db2.gz IVUUPOQQYQUYRE-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1C[C@H]1C(=O)CCC(F)(F)F 83807171 572420004 /nfs/dbraw/zinc/42/00/04/572420004.db2.gz AQPKHABILMBMDW-NTSWFWBYSA-N 0 0 180.169 2.554 10 0 AFAERN C[C@H](/C=C\C1CCCC1)CCO 205491432 572420019 /nfs/dbraw/zinc/42/00/19/572420019.db2.gz UCPYATUXXKUYOR-JYESYGNLSA-N 0 0 168.280 2.751 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)CCc1ccccc1 83807197 572420044 /nfs/dbraw/zinc/42/00/44/572420044.db2.gz RVPVDWMNICYWDP-PWSUYJOCSA-N 0 0 188.270 2.844 10 0 AFAERN CCCC[C@H](CC)[C@@H](F)CO 238797822 572420087 /nfs/dbraw/zinc/42/00/87/572420087.db2.gz NVMDGVVTOOPXSJ-IUCAKERBSA-N 0 0 162.248 2.533 10 0 AFAERN Cc1ccc(C)c(CC(=O)C(F)F)c1 53143364 572420145 /nfs/dbraw/zinc/42/01/45/572420145.db2.gz YWMPODBMMAIJLT-UHFFFAOYSA-N 0 0 198.212 2.680 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)CCC(F)(F)F 83807168 572420287 /nfs/dbraw/zinc/42/02/87/572420287.db2.gz AQPKHABILMBMDW-PHDIDXHHSA-N 0 0 180.169 2.554 10 0 AFAERN CC(C)(C)C[C@@H]1CCSCC1=O 76632076 572420351 /nfs/dbraw/zinc/42/03/51/572420351.db2.gz FIWDCRZFFDGWKY-QMMMGPOBSA-N 0 0 186.320 2.745 10 0 AFAERN CC[C@@H](C)c1nc(C)c([C@H](O)CC)[nH]1 238798863 572423554 /nfs/dbraw/zinc/42/35/54/572423554.db2.gz JLHFVJMSLVPNDE-VXNVDRBHSA-N 0 0 196.294 2.675 10 0 AFAERN CCCC[C@H](CC(C)=O)OCC 238797361 572420587 /nfs/dbraw/zinc/42/05/87/572420587.db2.gz GTUYWBFFNBZTND-SNVBAGLBSA-N 0 0 172.268 2.561 10 0 AFAERN Cc1cccc2c1-n1cccc1CN2 76628769 572420655 /nfs/dbraw/zinc/42/06/55/572420655.db2.gz DKWUHSVHZDUPHL-UHFFFAOYSA-N 0 0 184.242 2.711 10 0 AFAERN Cn1cc2c3c(cccc31)NCCC2 76631812 572420659 /nfs/dbraw/zinc/42/06/59/572420659.db2.gz PQHCIVAZKYOVIC-UHFFFAOYSA-N 0 0 186.258 2.536 10 0 AFAERN C/C=C\NC(=O)Oc1cccc(C)c1 207032186 572420726 /nfs/dbraw/zinc/42/07/26/572420726.db2.gz OSVSVEYXKKRMNU-CLTKARDFSA-N 0 0 191.230 2.617 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)CCc1ccccc1 83807202 572420897 /nfs/dbraw/zinc/42/08/97/572420897.db2.gz RVPVDWMNICYWDP-ZYHUDNBSSA-N 0 0 188.270 2.844 10 0 AFAERN CCCCOc1c(O)cccc1OC 238237751 572421010 /nfs/dbraw/zinc/42/10/10/572421010.db2.gz NOYKKFBKXPALEP-UHFFFAOYSA-N 0 0 196.246 2.580 10 0 AFAERN CCCC[C@H](CC)Cn1nccc1N 238797783 572421048 /nfs/dbraw/zinc/42/10/48/572421048.db2.gz BAHCHCHXNGAYMY-JTQLQIEISA-N 0 0 195.310 2.682 10 0 AFAERN Cc1ccccc1-c1cc(N)cn1C 76631754 572421068 /nfs/dbraw/zinc/42/10/68/572421068.db2.gz RHGHYUAPBXPYDR-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN O[C@H](CCCC1CC1)c1cncs1 406074230 572421087 /nfs/dbraw/zinc/42/10/87/572421087.db2.gz SDMNHBCJCYIIMH-SECBINFHSA-N 0 0 197.303 2.757 10 0 AFAERN CCOC(OCC)[C@H]1C=C[C@@H](C)CC1 207026144 572421366 /nfs/dbraw/zinc/42/13/66/572421366.db2.gz QMWNFXYWQZITIG-MNOVXSKESA-N 0 0 198.306 2.988 10 0 AFAERN CCCC[C@H](C)[C@H](C)NC(=O)OC 238797150 572421371 /nfs/dbraw/zinc/42/13/71/572421371.db2.gz YMYWNFXDNKRYLI-IUCAKERBSA-N 0 0 187.283 2.557 10 0 AFAERN Cn1ccc2ccc3c(c21)NCCC3 76631773 572421491 /nfs/dbraw/zinc/42/14/91/572421491.db2.gz ICJCFQDQRKDHOH-UHFFFAOYSA-N 0 0 186.258 2.536 10 0 AFAERN CCCC[C@H](C(N)=O)c1cccs1 238796629 572421438 /nfs/dbraw/zinc/42/14/38/572421438.db2.gz FBNXIPIWFANKTB-QMMMGPOBSA-N 0 0 197.303 2.507 10 0 AFAERN CCCC[C@H](C(N)=O)C1=CCCCC1 238796624 572421529 /nfs/dbraw/zinc/42/15/29/572421529.db2.gz ZXXMVYNJWSCPBR-NSHDSACASA-N 0 0 195.306 2.779 10 0 AFAERN CCOc1cccc([C@H](C)[C@@H](C)O)c1 87334611 572421536 /nfs/dbraw/zinc/42/15/36/572421536.db2.gz CJAMORATGAUQIA-NXEZZACHSA-N 0 0 194.274 2.570 10 0 AFAERN CCCC[C@H](C)[C@H](C)C(=S)NC 238797146 572421744 /nfs/dbraw/zinc/42/17/44/572421744.db2.gz SLDQTUQLRCJBOH-IUCAKERBSA-N 0 0 187.352 2.996 10 0 AFAERN CCCC[C@@H](C=C=CCO)CC 238797420 572421758 /nfs/dbraw/zinc/42/17/58/572421758.db2.gz NZDCVEBGCMNUQS-NWFFHIACSA-N 0 0 168.280 2.906 10 0 AFAERN CCNc1ccc2c(c1)cc(C)n2C 76633227 572422513 /nfs/dbraw/zinc/42/25/13/572422513.db2.gz WJYFDQPIIDIYLE-UHFFFAOYSA-N 0 0 188.274 2.919 10 0 AFAERN O=Cc1ccc(Nc2ccco2)cc1 76632120 572421807 /nfs/dbraw/zinc/42/18/07/572421807.db2.gz IABPDQMXWCSXPL-UHFFFAOYSA-N 0 0 187.198 2.836 10 0 AFAERN CC(C)CC[C@H]1CSCCC1=O 76632082 572421854 /nfs/dbraw/zinc/42/18/54/572421854.db2.gz VQWWVZFRXNCZPC-VIFPVBQESA-N 0 0 186.320 2.745 10 0 AFAERN Cc1ccccc1-c1c(N)ccn1C 76631761 572421875 /nfs/dbraw/zinc/42/18/75/572421875.db2.gz ASPIMULYHZWBKD-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN c1coc(-c2cc3c([nH]2)CCC3)c1 74205110 572421901 /nfs/dbraw/zinc/42/19/01/572421901.db2.gz HPNRGZSXNKLSFT-UHFFFAOYSA-N 0 0 173.215 2.763 10 0 AFAERN C[C@@H](/C=C\C1CCCC1)CCO 205491448 572421950 /nfs/dbraw/zinc/42/19/50/572421950.db2.gz UCPYATUXXKUYOR-GFVADAIESA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)CCCC(=O)NC(C)(C)C 197225125 572422247 /nfs/dbraw/zinc/42/22/47/572422247.db2.gz GGOPDWQZUVQCGC-UHFFFAOYSA-N 0 0 185.311 2.727 10 0 AFAERN Cc1c(N)ccc2c1c(C)c(C)n2C 76633181 572422415 /nfs/dbraw/zinc/42/24/15/572422415.db2.gz SLDOFNCRLKJPIZ-UHFFFAOYSA-N 0 0 188.274 2.686 10 0 AFAERN CCC[C@@H]1CC[C@@H](O)[C@H](CC)C1 44470231 572422450 /nfs/dbraw/zinc/42/24/50/572422450.db2.gz UEPIDSKJXJQGFR-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(=O)c1ccccc1N=O 68582626 572422543 /nfs/dbraw/zinc/42/25/43/572422543.db2.gz IIFWTJATQRKFCB-UHFFFAOYSA-N 0 0 163.176 2.677 10 0 AFAERN CCC[C@@H]1CC[C@H](O)[C@H](CC)C1 44470224 572422563 /nfs/dbraw/zinc/42/25/63/572422563.db2.gz UEPIDSKJXJQGFR-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1oc(Br)c(C)c1C 76633321 572422792 /nfs/dbraw/zinc/42/27/92/572422792.db2.gz PREWXNVJJKUWLJ-UHFFFAOYSA-N 0 0 189.052 2.967 10 0 AFAERN Cc1ccc2c(cc(C=O)n2C)c1C 76632414 572422835 /nfs/dbraw/zinc/42/28/35/572422835.db2.gz UKFWABYVXIRFJY-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CCOc1cccc([C@@H](C)[C@@H](C)O)c1 87334609 572422879 /nfs/dbraw/zinc/42/28/79/572422879.db2.gz CJAMORATGAUQIA-VHSXEESVSA-N 0 0 194.274 2.570 10 0 AFAERN Cc1ccc2cc(C=O)n(C)c2c1C 76632403 572422916 /nfs/dbraw/zinc/42/29/16/572422916.db2.gz LDFCOJRHNXJKJW-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN Cc1c(C)n(C)c2c(C)cc(N)cc12 76633214 572423949 /nfs/dbraw/zinc/42/39/49/572423949.db2.gz DCULNWUTVKZGAP-UHFFFAOYSA-N 0 0 188.274 2.686 10 0 AFAERN CCCCC[C@H](O)[C@@H]1CCCC(=O)C1 238238572 572423007 /nfs/dbraw/zinc/42/30/07/572423007.db2.gz JEYIOOCSGRWADU-PWSUYJOCSA-N 0 0 198.306 2.687 10 0 AFAERN Cc1cc(C)c2c(ccn2C)c1C=O 76632421 572423044 /nfs/dbraw/zinc/42/30/44/572423044.db2.gz KVWGJMDWLRGHMU-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN Cc1ccc(C)c2c1cc(C=O)n2C 76632438 572423050 /nfs/dbraw/zinc/42/30/50/572423050.db2.gz JRJZNSBWVAHIKC-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CCc1cccc2cc(C=O)n(C)c12 76632400 572423115 /nfs/dbraw/zinc/42/31/15/572423115.db2.gz DQXMRWBZAYBBMB-UHFFFAOYSA-N 0 0 187.242 2.553 10 0 AFAERN CC(=O)c1ccc2cc(C)n(C)c2c1 76632392 572423228 /nfs/dbraw/zinc/42/32/28/572423228.db2.gz KUEJYSDVVNJVGS-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN CC[C@H](O)c1[nH]c([C@H](C)CC)nc1C 238798862 572423290 /nfs/dbraw/zinc/42/32/90/572423290.db2.gz JLHFVJMSLVPNDE-APPZFPTMSA-N 0 0 196.294 2.675 10 0 AFAERN CC[C@@H](C)c1ncncc1OC1CC1 238798911 572423366 /nfs/dbraw/zinc/42/33/66/572423366.db2.gz OEKOOJCRADGADD-MRVPVSSYSA-N 0 0 192.262 2.531 10 0 AFAERN CC(C)CC[C@H](O)C(C)(C)C 44469807 572423423 /nfs/dbraw/zinc/42/34/23/572423423.db2.gz AXUPPSSNJCYJOX-VIFPVBQESA-N 0 0 158.285 2.830 10 0 AFAERN Cc1cc2c(ccn2C)c(C=O)c1C 76632423 572423454 /nfs/dbraw/zinc/42/34/54/572423454.db2.gz ZUFROSYUZCTWFR-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CCCC[C@H](SCC)C(C)=O 238238408 572423484 /nfs/dbraw/zinc/42/34/84/572423484.db2.gz PDOXAZAKELBLPB-VIFPVBQESA-N 0 0 174.309 2.887 10 0 AFAERN CC[C@@H](C)c1nc(/C(C)=C/CO)co1 238798860 572423486 /nfs/dbraw/zinc/42/34/86/572423486.db2.gz VOIZRMHSDXJYSV-CBVZUMJXSA-N 0 0 195.262 2.584 10 0 AFAERN c1nc2cc(NC3CCC3)ccc2o1 76632970 572423529 /nfs/dbraw/zinc/42/35/29/572423529.db2.gz ISSHRBRWBHYYPX-UHFFFAOYSA-N 0 0 188.230 2.792 10 0 AFAERN CCc1ccc2c(c1)cc(C=O)n2C 76632408 572423567 /nfs/dbraw/zinc/42/35/67/572423567.db2.gz MJUYFHVFRMZVTQ-UHFFFAOYSA-N 0 0 187.242 2.553 10 0 AFAERN Fc1ncc(Cl)c(Cl)c1F 687827592 572423570 /nfs/dbraw/zinc/42/35/70/572423570.db2.gz ZPPSRHQNUJAWSR-UHFFFAOYSA-N 0 0 183.972 2.667 10 0 AFAERN Cc1nc2ccc(NC3CC3)cc2o1 76632972 572423606 /nfs/dbraw/zinc/42/36/06/572423606.db2.gz XHLRSZFVERCKSJ-UHFFFAOYSA-N 0 0 188.230 2.711 10 0 AFAERN CC(C)CC[C@@H](O)C(C)(C)C 44469810 572423813 /nfs/dbraw/zinc/42/38/13/572423813.db2.gz AXUPPSSNJCYJOX-SECBINFHSA-N 0 0 158.285 2.830 10 0 AFAERN CC1=CCCC(=O)[C@@H]2[C@@H](C)CC[C@@H]12 208765384 572423836 /nfs/dbraw/zinc/42/38/36/572423836.db2.gz GKOYNKXKZGHCCD-JBLDHEPKSA-N 0 0 178.275 2.958 10 0 AFAERN O=C(c1cccc2cnccc12)C1CC1 61123614 572423987 /nfs/dbraw/zinc/42/39/87/572423987.db2.gz YQTDVPRDLVVSTL-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN Fc1cc(-n2cccc2)cc(F)c1F 61121375 572424017 /nfs/dbraw/zinc/42/40/17/572424017.db2.gz WTUMOXFIGMACSY-UHFFFAOYSA-N 0 0 197.159 2.895 10 0 AFAERN C[C@]12CCCCC[C@H]1CCC2=O 196628318 572424085 /nfs/dbraw/zinc/42/40/85/572424085.db2.gz AZRXOBVHSGBOQA-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1CCC[C@@]2(C)C(=O)CC[C@H]12 196628470 572424099 /nfs/dbraw/zinc/42/40/99/572424099.db2.gz TXEWCORQXOCMEG-FXPVBKGRSA-N 0 0 166.264 2.792 10 0 AFAERN CC1=CC[C@H](C(C)(C)C)C[C@H]1O 196627775 572424233 /nfs/dbraw/zinc/42/42/33/572424233.db2.gz LWFWFVBSGRFTBP-VHSXEESVSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@]12CCCCC[C@@H]1CCC2=O 196628294 572424238 /nfs/dbraw/zinc/42/42/38/572424238.db2.gz AZRXOBVHSGBOQA-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc2c(cc1C=O)c(C)cn2C 76632417 572424344 /nfs/dbraw/zinc/42/43/44/572424344.db2.gz SIDRRPVAVZELGO-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN Fc1cccc2c1NCc1cccn1-2 76632879 572424521 /nfs/dbraw/zinc/42/45/21/572424521.db2.gz IXIBHMIEXJFUFV-UHFFFAOYSA-N 0 0 188.205 2.542 10 0 AFAERN CC1=CC[C@H]2CCC(=O)C[C@@]12C 196624737 572424555 /nfs/dbraw/zinc/42/45/55/572424555.db2.gz OZFCZNFHZZOESN-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN CCCc1cc2ccc(N)cc2n1C 76633185 572424556 /nfs/dbraw/zinc/42/45/56/572424556.db2.gz GNDCWNOPPVTVBF-UHFFFAOYSA-N 0 0 188.274 2.713 10 0 AFAERN CC(=O)c1ccc2c(C)cn(C)c2c1 76632395 572424561 /nfs/dbraw/zinc/42/45/61/572424561.db2.gz HUEUKZIATPIZGE-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN Cc1c(C=O)ccc2c1cc(C)n2C 76632426 572424575 /nfs/dbraw/zinc/42/45/75/572424575.db2.gz KPEZUYQHFLBOEG-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN COCn1ccc2cccc(Cl)c21 234721876 572424585 /nfs/dbraw/zinc/42/45/85/572424585.db2.gz VLPZMASSTAVCRW-UHFFFAOYSA-N 0 0 195.649 2.899 10 0 AFAERN CC(C)[C@@]12C=CCC=C1CCC2=O 196628768 572424848 /nfs/dbraw/zinc/42/48/48/572424848.db2.gz XXLDNWZBPDLTSS-LBPRGKRZSA-N 0 0 176.259 2.878 10 0 AFAERN c1nc2cc(NC3CCC3)ccc2[nH]1 76632530 572425010 /nfs/dbraw/zinc/42/50/10/572425010.db2.gz RVFNXBOAFHBFSN-UHFFFAOYSA-N 0 0 187.246 2.527 10 0 AFAERN CCCC[C@@H](C(=O)CCC)[C@@H](C)O 238238622 572425077 /nfs/dbraw/zinc/42/50/77/572425077.db2.gz OSORZJBYQDNSOT-NXEZZACHSA-N 0 0 186.295 2.543 10 0 AFAERN c1cc(NC2CCC2)c2nc[nH]c2c1 76632533 572425045 /nfs/dbraw/zinc/42/50/45/572425045.db2.gz IYPKLNOVFLUYIH-UHFFFAOYSA-N 0 0 187.246 2.527 10 0 AFAERN CCc1ccc2c(ccn2C)c1C=O 76632418 572425063 /nfs/dbraw/zinc/42/50/63/572425063.db2.gz KXFGLKREILDYKP-UHFFFAOYSA-N 0 0 187.242 2.553 10 0 AFAERN CCCc1cc2c(N)cccc2n1C 76633187 572425403 /nfs/dbraw/zinc/42/54/03/572425403.db2.gz HOJHVYPYJRWQOD-UHFFFAOYSA-N 0 0 188.274 2.713 10 0 AFAERN CC[C@@H](C)c1ncncc1OC(C)C 238798910 572425422 /nfs/dbraw/zinc/42/54/22/572425422.db2.gz JAJFCJNLTJDICK-SECBINFHSA-N 0 0 194.278 2.777 10 0 AFAERN CCCCOc1cc(F)ccc1O 238238560 572425440 /nfs/dbraw/zinc/42/54/40/572425440.db2.gz GMCWKLGQPOVOCW-UHFFFAOYSA-N 0 0 184.210 2.710 10 0 AFAERN C[C@H]1CCCCCCCCC(=O)N1 196622474 572425525 /nfs/dbraw/zinc/42/55/25/572425525.db2.gz NGTPPYVNUJDSOM-JTQLQIEISA-N 0 0 183.295 2.626 10 0 AFAERN CC[C@]12C=CCC=C1CCC2=O 196628752 572425552 /nfs/dbraw/zinc/42/55/52/572425552.db2.gz GSQMNPVAKUTOMJ-NSHDSACASA-N 0 0 162.232 2.632 10 0 AFAERN CCCC[C@@H](C(N)=O)[C@@H](C)CCC 238238508 572425561 /nfs/dbraw/zinc/42/55/61/572425561.db2.gz IBOZKQCXNNWGQR-VHSXEESVSA-N 0 0 185.311 2.714 10 0 AFAERN C[C@]12CCCCC[C@@H]1CCC2=O 196628301 572425605 /nfs/dbraw/zinc/42/56/05/572425605.db2.gz AZRXOBVHSGBOQA-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc2c(C=O)cn(C)c2cc1C 76632435 572425606 /nfs/dbraw/zinc/42/56/06/572425606.db2.gz LCDVEWJSTQKKKJ-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN CCc1cc2c(C)c(N)ccc2n1C 76633189 572425620 /nfs/dbraw/zinc/42/56/20/572425620.db2.gz DHBWOOKVTNSWTI-UHFFFAOYSA-N 0 0 188.274 2.631 10 0 AFAERN C=C=C(C)C(=O)Nc1ccc(C)cc1 196631723 572425727 /nfs/dbraw/zinc/42/57/27/572425727.db2.gz JDDRQSPTUTWZAO-UHFFFAOYSA-N 0 0 187.242 2.665 10 0 AFAERN C=C=C(C)C(=O)Nc1ccccc1C 196631808 572425783 /nfs/dbraw/zinc/42/57/83/572425783.db2.gz MWTRWZBLHCSQGY-UHFFFAOYSA-N 0 0 187.242 2.665 10 0 AFAERN CC(C)[C@]12C=CCC=C1CCC2=O 196628776 572425816 /nfs/dbraw/zinc/42/58/16/572425816.db2.gz XXLDNWZBPDLTSS-GFCCVEGCSA-N 0 0 176.259 2.878 10 0 AFAERN CC1=CC[C@H](C(C)(C)C)C[C@@H]1O 196627758 572426013 /nfs/dbraw/zinc/42/60/13/572426013.db2.gz LWFWFVBSGRFTBP-UWVGGRQHSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H]1CCCCCCCCC(=O)N1 196622465 572426191 /nfs/dbraw/zinc/42/61/91/572426191.db2.gz NGTPPYVNUJDSOM-SNVBAGLBSA-N 0 0 183.295 2.626 10 0 AFAERN c1cc(NC2CCC2)c2c[nH]nc2c1 44481810 572426167 /nfs/dbraw/zinc/42/61/67/572426167.db2.gz QPBKYCQULMUKSR-UHFFFAOYSA-N 0 0 187.246 2.527 10 0 AFAERN COC(=O)[C@H](C)[C@H](C)/C(C)=C/Cl 238798968 572426177 /nfs/dbraw/zinc/42/61/77/572426177.db2.gz RZBINUKHFCOXFI-ZZTMBZGHSA-N 0 0 190.670 2.574 10 0 AFAERN C[C@@]12CCCCC[C@H]1CCC2=O 196628310 572426263 /nfs/dbraw/zinc/42/62/63/572426263.db2.gz AZRXOBVHSGBOQA-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN CC1=CC[C@@H]2CCC(=O)C[C@@]12C 196624751 572426390 /nfs/dbraw/zinc/42/63/90/572426390.db2.gz OZFCZNFHZZOESN-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=CC[C@@H]2CCC(=O)C[C@]12C 196624725 572426538 /nfs/dbraw/zinc/42/65/38/572426538.db2.gz OZFCZNFHZZOESN-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CCCCC1=C(CCCC)C1C(N)=O 238239364 572427003 /nfs/dbraw/zinc/42/70/03/572427003.db2.gz FIFFQWYHJQANOD-UHFFFAOYSA-N 0 0 195.306 2.779 10 0 AFAERN c1cc(NC2CCC2)c2n[nH]cc2c1 44481512 572427042 /nfs/dbraw/zinc/42/70/42/572427042.db2.gz NSNGFEKKTRZDMT-UHFFFAOYSA-N 0 0 187.246 2.527 10 0 AFAERN c1cc2cn[nH]c2cc1NC1CCC1 44481617 572427069 /nfs/dbraw/zinc/42/70/69/572427069.db2.gz VLVTUOYAPCCKNA-UHFFFAOYSA-N 0 0 187.246 2.527 10 0 AFAERN c1ccc2c(c1)NCc1ccoc1N2 76631368 572427150 /nfs/dbraw/zinc/42/71/50/572427150.db2.gz HHBPZMXPXPNLCJ-UHFFFAOYSA-N 0 0 186.214 2.949 10 0 AFAERN CCCCC[C@H](O)[C@H]1CCCC(=O)C1 238239402 572428239 /nfs/dbraw/zinc/42/82/39/572428239.db2.gz JEYIOOCSGRWADU-JQWIXIFHSA-N 0 0 198.306 2.687 10 0 AFAERN C[C@@H](O)c1ccccc1NC1CCC1 44481952 572427306 /nfs/dbraw/zinc/42/73/06/572427306.db2.gz VYIUSAQHWHRCFB-SECBINFHSA-N 0 0 191.274 2.704 10 0 AFAERN COCc1ccccc1NC1CCC1 44480830 572427735 /nfs/dbraw/zinc/42/77/35/572427735.db2.gz ATEVBXUENJBRRB-UHFFFAOYSA-N 0 0 191.274 2.797 10 0 AFAERN C[C@H](O)c1ccccc1NC1CCC1 44481951 572427807 /nfs/dbraw/zinc/42/78/07/572427807.db2.gz VYIUSAQHWHRCFB-VIFPVBQESA-N 0 0 191.274 2.704 10 0 AFAERN C[C@@H]1CC(=O)C[C@H]1c1ccccc1 196639983 572428287 /nfs/dbraw/zinc/42/82/87/572428287.db2.gz XESHCXOVTPJVEZ-BXKDBHETSA-N 0 0 174.243 2.769 10 0 AFAERN COC(=O)[C@H](C)[C@@H](C)/C(C)=C/Cl 238798925 572428075 /nfs/dbraw/zinc/42/80/75/572428075.db2.gz RZBINUKHFCOXFI-LXBADBFVSA-N 0 0 190.670 2.574 10 0 AFAERN c1csc(N[C@@H]2CCSC2)c1 76631093 572428262 /nfs/dbraw/zinc/42/82/62/572428262.db2.gz BEDBWQGXDODWCN-SSDOTTSWSA-N 0 0 185.317 2.666 10 0 AFAERN CO[C@@H](C)[C@@](C)(O)C1=CCCCCC1 234725022 572428357 /nfs/dbraw/zinc/42/83/57/572428357.db2.gz ZVHZTHHLEJGDMB-CMPLNLGQSA-N 0 0 198.306 2.663 10 0 AFAERN CCCCC1(NC(C)=O)CCCC1 238238279 572428444 /nfs/dbraw/zinc/42/84/44/572428444.db2.gz DCTQHADMGSWQFS-UHFFFAOYSA-N 0 0 183.295 2.626 10 0 AFAERN CCCC[C@H](OCCO)c1ccco1 238238075 572428527 /nfs/dbraw/zinc/42/85/27/572428527.db2.gz HIVFXFSTVXKRFM-JTQLQIEISA-N 0 0 198.262 2.520 10 0 AFAERN CCCCOc1cc(C)ccc1C=O 238238185 572428576 /nfs/dbraw/zinc/42/85/76/572428576.db2.gz MGDJDMSLRVJKNM-UHFFFAOYSA-N 0 0 192.258 2.986 10 0 AFAERN CCC[C@H](CC(C)C)[C@@H](C)O 308019650 572428654 /nfs/dbraw/zinc/42/86/54/572428654.db2.gz ITQCGQLOUHCQBW-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN C[C@@H]1CC(=O)C[C@@H]1c1ccccc1 196639969 572428720 /nfs/dbraw/zinc/42/87/20/572428720.db2.gz XESHCXOVTPJVEZ-SKDRFNHKSA-N 0 0 174.243 2.769 10 0 AFAERN CCC(CC)C(=O)c1ccccc1N 83825537 572428743 /nfs/dbraw/zinc/42/87/43/572428743.db2.gz YKMKYWQPAMNXJZ-UHFFFAOYSA-N 0 0 191.274 2.888 10 0 AFAERN CCCC[C@@H](/C=C/CCO)OCC 238238036 572428785 /nfs/dbraw/zinc/42/87/85/572428785.db2.gz DMBDDGSAYDASPH-LAHYYIKRSA-N 0 0 186.295 2.520 10 0 AFAERN C[Si](C)(C)Cc1ccccc1N 196639176 572428794 /nfs/dbraw/zinc/42/87/94/572428794.db2.gz IIVLUCRKXLLXNV-UHFFFAOYSA-N 0 0 179.339 2.689 10 0 AFAERN Cc1cc2n(c1)-c1cscc1NC2 76634655 572430148 /nfs/dbraw/zinc/43/01/48/572430148.db2.gz NYMPLCOTVLWUKX-UHFFFAOYSA-N 0 0 190.271 2.773 10 0 AFAERN C[C@H]1CC(=O)C[C@@H]1c1ccccc1 196639976 572428890 /nfs/dbraw/zinc/42/88/90/572428890.db2.gz XESHCXOVTPJVEZ-CABZTGNLSA-N 0 0 174.243 2.769 10 0 AFAERN c1csc(N[C@H]2CCSC2)c1 76631097 572428952 /nfs/dbraw/zinc/42/89/52/572428952.db2.gz BEDBWQGXDODWCN-ZETCQYMHSA-N 0 0 185.317 2.666 10 0 AFAERN C=Cc1nccc2c(OC)cccc12 687827603 572429150 /nfs/dbraw/zinc/42/91/50/572429150.db2.gz VPOPIMNACXUPMH-UHFFFAOYSA-N 0 0 185.226 2.886 10 0 AFAERN CCC[C@@H](CC(C)C)[C@@H](C)O 308019654 572429155 /nfs/dbraw/zinc/42/91/55/572429155.db2.gz ITQCGQLOUHCQBW-ZJUUUORDSA-N 0 0 158.285 2.830 10 0 AFAERN CCC[C@@H](CC(C)C)[C@H](C)O 308019651 572429304 /nfs/dbraw/zinc/42/93/04/572429304.db2.gz ITQCGQLOUHCQBW-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN CCCCCC[C@H]1CO[C@@H](C)OC1 308020055 572429437 /nfs/dbraw/zinc/42/94/37/572429437.db2.gz MKNCTCDWCSUWIM-PHIMTYICSA-N 0 0 186.295 2.966 10 0 AFAERN CCCCc1cc(C)c(C)[nH]1 196639295 572429490 /nfs/dbraw/zinc/42/94/90/572429490.db2.gz KDKGCPSXMQBSMF-UHFFFAOYSA-N 0 0 151.253 2.974 10 0 AFAERN CCCCC[C@H](O)[C@@H](C)C(=O)CC 238237939 572429523 /nfs/dbraw/zinc/42/95/23/572429523.db2.gz SLXWBMJFAQAOMA-ONGXEEELSA-N 0 0 186.295 2.543 10 0 AFAERN CCC[C@H](CC(C)C)[C@H](C)O 308019653 572429751 /nfs/dbraw/zinc/42/97/51/572429751.db2.gz ITQCGQLOUHCQBW-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN C[C@H]1CC(=O)C[C@H]1c1ccccc1 196639992 572429820 /nfs/dbraw/zinc/42/98/20/572429820.db2.gz XESHCXOVTPJVEZ-JOYOIKCWSA-N 0 0 174.243 2.769 10 0 AFAERN Cc1cc(Cc2ccccn2)ccc1N 83824916 572430218 /nfs/dbraw/zinc/43/02/18/572430218.db2.gz PUGWOKOQXPLBLC-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CC1([C@@](C)(O)CCC(F)(F)F)CC1 87365713 572430304 /nfs/dbraw/zinc/43/03/04/572430304.db2.gz CKTHBJSLYPZCGF-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@H](C)C[C@](C)(O)C1(C)CC1 87365547 572430381 /nfs/dbraw/zinc/43/03/81/572430381.db2.gz CFURIQCEZBRNNA-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN c1nc2cc(NC3CC3)ccc2s1 76634663 572430458 /nfs/dbraw/zinc/43/04/58/572430458.db2.gz FNYPKLAYTZLSQL-UHFFFAOYSA-N 0 0 190.271 2.871 10 0 AFAERN Cc1cc2n(c1)-c1ccsc1NC2 76634657 572430467 /nfs/dbraw/zinc/43/04/67/572430467.db2.gz RBMBSORXSWONKE-UHFFFAOYSA-N 0 0 190.271 2.773 10 0 AFAERN CCC(CC)[C@](C)(O)C1(C)CC1 87366108 572430719 /nfs/dbraw/zinc/43/07/19/572430719.db2.gz RJOUQZTVAVBSFD-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CCCCC[C@@H]1C=CCC[C@@H]1O 308021263 572430868 /nfs/dbraw/zinc/43/08/68/572430868.db2.gz UQMXFNUXBRDKHB-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@H](C)C[C@](C)(O)C1(C)CC1 87365546 572430936 /nfs/dbraw/zinc/43/09/36/572430936.db2.gz CFURIQCEZBRNNA-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CCOC(=O)c1[nH]ccc1[C@@H](C)CC 83824207 572430937 /nfs/dbraw/zinc/43/09/37/572430937.db2.gz PMIRLBGWRVKJJN-QMMMGPOBSA-N 0 0 195.262 2.705 10 0 AFAERN O[C@H](Cc1ccccc1)CC1CCC1 83840455 572433256 /nfs/dbraw/zinc/43/32/56/572433256.db2.gz DKKXMIIJIGLQOT-CYBMUJFWSA-N 0 0 190.286 2.780 10 0 AFAERN Nc1cccc([C@@H]2CCCSC2)c1 214750005 572431014 /nfs/dbraw/zinc/43/10/14/572431014.db2.gz QHNTUYNQEIFDFG-SNVBAGLBSA-N 0 0 193.315 2.879 10 0 AFAERN Nc1c(F)ccc2[nH]c(C3CC3)cc12 76634203 572431112 /nfs/dbraw/zinc/43/11/12/572431112.db2.gz BCIICQDWXPVNHU-UHFFFAOYSA-N 0 0 190.221 2.767 10 0 AFAERN Cc1cccc(C)c1N[C@@H]1CCOC1 76635181 572431170 /nfs/dbraw/zinc/43/11/70/572431170.db2.gz IINCVWCVJRQDLZ-LLVKDONJSA-N 0 0 191.274 2.504 10 0 AFAERN Cc1ccc(-c2nccc(C)c2N)cc1 235915768 572431435 /nfs/dbraw/zinc/43/14/35/572431435.db2.gz YASDJUYNFSUULY-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCCC[C@@H]1C=CCC[C@H]1O 308021257 572431483 /nfs/dbraw/zinc/43/14/83/572431483.db2.gz UQMXFNUXBRDKHB-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CCN[C@](C)(C(F)(F)F)C1(C)CC1 87367686 572431559 /nfs/dbraw/zinc/43/15/59/572431559.db2.gz SXFHUGSRHZYWID-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN Nc1cccc([C@H]2CCCSC2)c1 214750056 572431593 /nfs/dbraw/zinc/43/15/93/572431593.db2.gz QHNTUYNQEIFDFG-JTQLQIEISA-N 0 0 193.315 2.879 10 0 AFAERN CC[C@H](C)C[C@@](C)(O)C1(C)CC1 87365552 572431666 /nfs/dbraw/zinc/43/16/66/572431666.db2.gz CFURIQCEZBRNNA-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCOc1cc(O)cc(OC)c1 238238787 572431772 /nfs/dbraw/zinc/43/17/72/572431772.db2.gz HENYKAXDFGCXQU-UHFFFAOYSA-N 0 0 196.246 2.580 10 0 AFAERN CCCSc1cc(OC)ccc1N 83825315 572431893 /nfs/dbraw/zinc/43/18/93/572431893.db2.gz DGHWEFVNKWPYFF-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN CCOC(=O)c1[nH]ccc1[C@H](C)CC 83824206 572432087 /nfs/dbraw/zinc/43/20/87/572432087.db2.gz PMIRLBGWRVKJJN-MRVPVSSYSA-N 0 0 195.262 2.705 10 0 AFAERN CCCCC[C@H](O)[C@@]1(C)CCCC1=O 238238771 572432332 /nfs/dbraw/zinc/43/23/32/572432332.db2.gz DKCPIDFNDSEAFY-CMPLNLGQSA-N 0 0 198.306 2.687 10 0 AFAERN Cc1cc2n(c1)-c1sccc1NC2 76634659 572432493 /nfs/dbraw/zinc/43/24/93/572432493.db2.gz YZCYFAHXKINHPK-UHFFFAOYSA-N 0 0 190.271 2.773 10 0 AFAERN CC(C)CC[C@](C)(O)C1(C)CC1 87365518 572432621 /nfs/dbraw/zinc/43/26/21/572432621.db2.gz LNGICJZPBPJJFJ-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)SCC(=O)CC1CCC1 83840268 572432819 /nfs/dbraw/zinc/43/28/19/572432819.db2.gz NPRCLZKQSKFWJO-UHFFFAOYSA-N 0 0 186.320 2.887 10 0 AFAERN O[C@@H](Cc1cccs1)CC1CCC1 83840735 572432905 /nfs/dbraw/zinc/43/29/05/572432905.db2.gz YRHXJSISKAWGJM-SNVBAGLBSA-N 0 0 196.315 2.842 10 0 AFAERN CCCSC[C@@H](O)CC1CCC1 83840859 572432916 /nfs/dbraw/zinc/43/29/16/572432916.db2.gz IMKRIEQBZLOGGY-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)CC[C@H](O)CC1CCC1 83840669 572433730 /nfs/dbraw/zinc/43/37/30/572433730.db2.gz DBICJUBFTPAZCN-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](F)CSc1ccncc1 308022876 572433198 /nfs/dbraw/zinc/43/31/98/572433198.db2.gz WXJKHZOMYIMEED-MRVPVSSYSA-N 0 0 185.267 2.922 10 0 AFAERN CCCCC[C@H]1C=CCC[C@@H]1O 308021269 572433267 /nfs/dbraw/zinc/43/32/67/572433267.db2.gz UQMXFNUXBRDKHB-QWRGUYRKSA-N 0 0 168.280 2.894 10 0 AFAERN CCC(CC)[C@@](C)(O)C1(C)CC1 87366110 572433314 /nfs/dbraw/zinc/43/33/14/572433314.db2.gz RJOUQZTVAVBSFD-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CCCSCC(=O)CC1CCC1 83840267 572433372 /nfs/dbraw/zinc/43/33/72/572433372.db2.gz TZVMWMZPJJGYNR-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CCCCC[C@H]1C=CCC[C@H]1O 308021277 572433623 /nfs/dbraw/zinc/43/36/23/572433623.db2.gz UQMXFNUXBRDKHB-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@H](C)C[C@@](C)(O)C1(C)CC1 87365550 572433641 /nfs/dbraw/zinc/43/36/41/572433641.db2.gz CFURIQCEZBRNNA-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN O[C@@H](Cc1ccccc1)CC1CCC1 83840451 572433811 /nfs/dbraw/zinc/43/38/11/572433811.db2.gz DKKXMIIJIGLQOT-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN CC(C)CC[C@@](C)(O)C1(C)CC1 87365520 572433844 /nfs/dbraw/zinc/43/38/44/572433844.db2.gz LNGICJZPBPJJFJ-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CCN[C@@](C)(C(F)(F)F)C1(C)CC1 87367687 572433873 /nfs/dbraw/zinc/43/38/73/572433873.db2.gz SXFHUGSRHZYWID-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@H]1C[C@@H]1C 308026269 572434032 /nfs/dbraw/zinc/43/40/32/572434032.db2.gz XHYGIGSNFHBDQW-GUBZILKMSA-N 0 0 168.280 2.894 10 0 AFAERN O=C(CC1CCC1)CC(F)(F)F 83840118 572434043 /nfs/dbraw/zinc/43/40/43/572434043.db2.gz VAYPEQRVMHZUID-UHFFFAOYSA-N 0 0 180.169 2.698 10 0 AFAERN Cc1noc2c1N[C@H]1CCC[C@@H]1CC2 76635544 572434103 /nfs/dbraw/zinc/43/41/03/572434103.db2.gz NZLQKNNVZWVEDR-BDAKNGLRSA-N 0 0 192.262 2.510 10 0 AFAERN CC(C)CC[C@@H](O)CC1CCC1 83840671 572434263 /nfs/dbraw/zinc/43/42/63/572434263.db2.gz DBICJUBFTPAZCN-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1noc2c1N[C@H]1CCC[C@H]1CC2 76635541 572434450 /nfs/dbraw/zinc/43/44/50/572434450.db2.gz NZLQKNNVZWVEDR-IUCAKERBSA-N 0 0 192.262 2.510 10 0 AFAERN CC/C=C\C(=O)OCC(C)(C)C 308025616 572434655 /nfs/dbraw/zinc/43/46/55/572434655.db2.gz YSSLRVHJLLOXIL-SREVYHEPSA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1C[C@@H]1C 308026271 572434684 /nfs/dbraw/zinc/43/46/84/572434684.db2.gz XHYGIGSNFHBDQW-LPEHRKFASA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@H]1C[C@H]1C 308026272 572434799 /nfs/dbraw/zinc/43/47/99/572434799.db2.gz XHYGIGSNFHBDQW-UTLUCORTSA-N 0 0 168.280 2.894 10 0 AFAERN c1cc2c(s1)NCC[C@H]1CCCN21 76636204 572434804 /nfs/dbraw/zinc/43/48/04/572434804.db2.gz KMOXUCJKERUEFO-MRVPVSSYSA-N 0 0 194.303 2.533 10 0 AFAERN c1cc2c(s1)NCC[C@@H]1CCCN21 76636207 572435034 /nfs/dbraw/zinc/43/50/34/572435034.db2.gz KMOXUCJKERUEFO-QMMMGPOBSA-N 0 0 194.303 2.533 10 0 AFAERN CC[C@H](F)CS[C@H](C)CCOC 308026333 572435053 /nfs/dbraw/zinc/43/50/53/572435053.db2.gz ZGVQFBWSRRGJOR-BDAKNGLRSA-N 0 0 194.315 2.893 10 0 AFAERN CC(C)(C)C[C@@H](O)CC1CCC1 83840827 572435111 /nfs/dbraw/zinc/43/51/11/572435111.db2.gz PKKVTEHXSLZWBK-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN CC/C=C/C(=O)OCC(C)(C)C 308025618 572435198 /nfs/dbraw/zinc/43/51/98/572435198.db2.gz YSSLRVHJLLOXIL-VOTSOKGWSA-N 0 0 170.252 2.542 10 0 AFAERN CCCSC[C@H](O)CC1CCC1 83840858 572435245 /nfs/dbraw/zinc/43/52/45/572435245.db2.gz IMKRIEQBZLOGGY-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@@H](F)CS[C@@H](C)CCOC 308026334 572435271 /nfs/dbraw/zinc/43/52/71/572435271.db2.gz ZGVQFBWSRRGJOR-DTWKUNHWSA-N 0 0 194.315 2.893 10 0 AFAERN CC(C)(C)C[C@H](O)CC1CCC1 83840826 572435280 /nfs/dbraw/zinc/43/52/80/572435280.db2.gz PKKVTEHXSLZWBK-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(NC2CCCCCC2)n[nH]1 76635903 572435322 /nfs/dbraw/zinc/43/53/22/572435322.db2.gz OXYFZPSZXBRYMD-UHFFFAOYSA-N 0 0 193.294 2.853 10 0 AFAERN CC[C@H](F)CS[C@@H](C)CCOC 308026335 572435415 /nfs/dbraw/zinc/43/54/15/572435415.db2.gz ZGVQFBWSRRGJOR-IUCAKERBSA-N 0 0 194.315 2.893 10 0 AFAERN Cc1noc2c1N[C@@H]1CCC[C@@H]1CC2 76635549 572435488 /nfs/dbraw/zinc/43/54/88/572435488.db2.gz NZLQKNNVZWVEDR-RKDXNWHRSA-N 0 0 192.262 2.510 10 0 AFAERN O=C(Cc1ccccc1)CC1CCC1 83840036 572435493 /nfs/dbraw/zinc/43/54/93/572435493.db2.gz RPYVAIIURMVKHU-UHFFFAOYSA-N 0 0 188.270 2.988 10 0 AFAERN c1cc2c(s1)N1CCC[C@H]1CCN2 76636216 572435498 /nfs/dbraw/zinc/43/54/98/572435498.db2.gz RWODCNSVKZJGSF-QMMMGPOBSA-N 0 0 194.303 2.533 10 0 AFAERN CC[C@H](F)CSc1ccccn1 308026323 572435576 /nfs/dbraw/zinc/43/55/76/572435576.db2.gz ZFAMCDSIVYSKFR-QMMMGPOBSA-N 0 0 185.267 2.922 10 0 AFAERN CC(C)(C)OC(=O)Oc1ccco1 308026155 572435896 /nfs/dbraw/zinc/43/58/96/572435896.db2.gz HLQIRQXJJYIKDV-UHFFFAOYSA-N 0 0 184.191 2.594 10 0 AFAERN CCCC[C@@H](C(=O)CCC)[C@H](C)O 238239118 572436307 /nfs/dbraw/zinc/43/63/07/572436307.db2.gz OSORZJBYQDNSOT-VHSXEESVSA-N 0 0 186.295 2.543 10 0 AFAERN CC(=O)c1cc(F)c2ccccc2n1 687828005 572436312 /nfs/dbraw/zinc/43/63/12/572436312.db2.gz CHSVCCVAHRCUBF-UHFFFAOYSA-N 0 0 189.189 2.577 10 0 AFAERN CCCC[C@@H](C(N)=O)[C@H](C)CCC 238239021 572436442 /nfs/dbraw/zinc/43/64/42/572436442.db2.gz IBOZKQCXNNWGQR-NXEZZACHSA-N 0 0 185.311 2.714 10 0 AFAERN CC[C@@H](F)CS[C@H](C)CCOC 308026336 572436717 /nfs/dbraw/zinc/43/67/17/572436717.db2.gz ZGVQFBWSRRGJOR-RKDXNWHRSA-N 0 0 194.315 2.893 10 0 AFAERN CC(C)SC[C@@H](O)CC1CCC1 83840861 572436822 /nfs/dbraw/zinc/43/68/22/572436822.db2.gz ARIKVDZBQGYXOF-JTQLQIEISA-N 0 0 188.336 2.679 10 0 AFAERN Cc1noc2c1N[C@@H]1CCC[C@H]1CC2 76635547 572436902 /nfs/dbraw/zinc/43/69/02/572436902.db2.gz NZLQKNNVZWVEDR-DTWKUNHWSA-N 0 0 192.262 2.510 10 0 AFAERN CC[C@@H](CC(C)C)[C@H](C)CO 238800098 572437007 /nfs/dbraw/zinc/43/70/07/572437007.db2.gz DYBPJNWUGQDDHV-ZJUUUORDSA-N 0 0 158.285 2.687 10 0 AFAERN CC[C@@H](F)CSc1ccccn1 308026322 572437133 /nfs/dbraw/zinc/43/71/33/572437133.db2.gz ZFAMCDSIVYSKFR-MRVPVSSYSA-N 0 0 185.267 2.922 10 0 AFAERN CC(C)SC[C@H](O)CC1CCC1 83840860 572437137 /nfs/dbraw/zinc/43/71/37/572437137.db2.gz ARIKVDZBQGYXOF-SNVBAGLBSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1C[C@H]1C 308026270 572437244 /nfs/dbraw/zinc/43/72/44/572437244.db2.gz XHYGIGSNFHBDQW-KXUCPTDWSA-N 0 0 168.280 2.894 10 0 AFAERN c1cc2c(s1)N1CCC[C@@H]1CCN2 76636214 572437617 /nfs/dbraw/zinc/43/76/17/572437617.db2.gz RWODCNSVKZJGSF-MRVPVSSYSA-N 0 0 194.303 2.533 10 0 AFAERN Cc1ccc(C)n1CC[C@H]1CCCO1 44510621 572437639 /nfs/dbraw/zinc/43/76/39/572437639.db2.gz QHTXHRURTNNRFD-GFCCVEGCSA-N 0 0 193.290 2.674 10 0 AFAERN O=Cc1c[nH]cc1CCc1ccccc1 74235978 572437770 /nfs/dbraw/zinc/43/77/70/572437770.db2.gz IJZIBAHEVBPRLX-UHFFFAOYSA-N 0 0 199.253 2.612 10 0 AFAERN Cc1cccc(Cc2c[nH]cc2C=O)c1 74235969 572437834 /nfs/dbraw/zinc/43/78/34/572437834.db2.gz BZXYJUIVXMZSDR-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN CC(C)CCc1cc(N)nc(Cl)c1 74236526 572438432 /nfs/dbraw/zinc/43/84/32/572438432.db2.gz LJWZSIJZLKRISI-UHFFFAOYSA-N 0 0 198.697 2.906 10 0 AFAERN CCCCC[C@H]1CC=CC(=S)N1 238240623 572438463 /nfs/dbraw/zinc/43/84/63/572438463.db2.gz GYQIRIWTIOGZCQ-VIFPVBQESA-N 0 0 183.320 2.812 10 0 AFAERN Cc1ccc(C)n1-c1ccccc1C=O 74235981 572438955 /nfs/dbraw/zinc/43/89/55/572438955.db2.gz ITSPMBLFZNVSJH-UHFFFAOYSA-N 0 0 199.253 2.907 10 0 AFAERN CCC(=O)CCc1nc(C)c(C)s1 87392026 572441178 /nfs/dbraw/zinc/44/11/78/572441178.db2.gz ONBHEHHCNYLDQF-UHFFFAOYSA-N 0 0 197.303 2.672 10 0 AFAERN Cc1ccccc1Cc1ccncc1N 74237598 572441093 /nfs/dbraw/zinc/44/10/93/572441093.db2.gz CZXXMMKFOJAQRT-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CC(C)c1cc2c(o1)CSCC2=O 76636886 572439385 /nfs/dbraw/zinc/43/93/85/572439385.db2.gz SAJXKUIRSCHXHT-UHFFFAOYSA-N 0 0 196.271 2.833 10 0 AFAERN CCCCC[C@H](O)n1cccc1 238239911 572439627 /nfs/dbraw/zinc/43/96/27/572439627.db2.gz JBPGSOBLBRFEIL-JTQLQIEISA-N 0 0 167.252 2.559 10 0 AFAERN OSc1cccc(Cl)c1 117213763 572441223 /nfs/dbraw/zinc/44/12/23/572441223.db2.gz FXEKEQJMZLDTCR-UHFFFAOYSA-N 0 0 160.625 2.905 10 0 AFAERN Cc1ccc(Cc2c[nH]cc2C=O)cc1 74235971 572439662 /nfs/dbraw/zinc/43/96/62/572439662.db2.gz RKMLJGVXQHAAQM-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN CC(C)(C)Cc1cc(N)nc(Cl)c1 74236527 572439823 /nfs/dbraw/zinc/43/98/23/572439823.db2.gz ZMMJXDIIETVBIF-UHFFFAOYSA-N 0 0 198.697 2.906 10 0 AFAERN CCCCC[C@H](O)[C@]1(C)CCCC1=O 238239617 572439826 /nfs/dbraw/zinc/43/98/26/572439826.db2.gz DKCPIDFNDSEAFY-JQWIXIFHSA-N 0 0 198.306 2.687 10 0 AFAERN CC=C=C(CO)CCc1ccccc1 238240583 572439901 /nfs/dbraw/zinc/43/99/01/572439901.db2.gz VTMYTXZGJRVLFJ-UHFFFAOYSA-N 0 0 188.270 2.713 10 0 AFAERN CCCCC1=C([C@H](O)C(C)C)C1 238239695 572439980 /nfs/dbraw/zinc/43/99/80/572439980.db2.gz WBTXYQVYLMNUQR-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)[C@@H]1CNc2ccsc2N1C 76637025 572440057 /nfs/dbraw/zinc/44/00/57/572440057.db2.gz AZGACFWYWWIWGJ-VIFPVBQESA-N 0 0 196.319 2.634 10 0 AFAERN CC(C)[C@H]1CNc2ccsc2N1C 76637027 572440085 /nfs/dbraw/zinc/44/00/85/572440085.db2.gz AZGACFWYWWIWGJ-SECBINFHSA-N 0 0 196.319 2.634 10 0 AFAERN Cc1c(N)cc2ccn(C)c2c1Cl 76636288 572441166 /nfs/dbraw/zinc/44/11/66/572441166.db2.gz QQHYMKQWNDTJHN-UHFFFAOYSA-N 0 0 194.665 2.722 10 0 AFAERN Cn1c(C=O)cc2c(Cl)cccc21 76635972 572440183 /nfs/dbraw/zinc/44/01/83/572440183.db2.gz LSGHDOBLMRSXNC-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN Cc1ccc(C)n1CC[C@@H]1CCCO1 44510620 572440203 /nfs/dbraw/zinc/44/02/03/572440203.db2.gz QHTXHRURTNNRFD-LBPRGKRZSA-N 0 0 193.290 2.674 10 0 AFAERN CCOC(=O)N[C@@H](C)C[C@H](C)CC 83868459 572440291 /nfs/dbraw/zinc/44/02/91/572440291.db2.gz FMGUTBSWLFXYLE-BDAKNGLRSA-N 0 0 187.283 2.557 10 0 AFAERN CCOC(=O)N[C@H](C)C[C@H](C)CC 83868454 572440304 /nfs/dbraw/zinc/44/03/04/572440304.db2.gz FMGUTBSWLFXYLE-RKDXNWHRSA-N 0 0 187.283 2.557 10 0 AFAERN C[C@@H]1CC[C@H](CCCCCO)C(=O)C1 238804134 572440450 /nfs/dbraw/zinc/44/04/50/572440450.db2.gz MQYZKTIPIASYEY-MNOVXSKESA-N 0 0 198.306 2.544 10 0 AFAERN CCOC(=O)N[C@@H](C)C[C@@H](C)CC 83868462 572440507 /nfs/dbraw/zinc/44/05/07/572440507.db2.gz FMGUTBSWLFXYLE-IUCAKERBSA-N 0 0 187.283 2.557 10 0 AFAERN CCCCC1=C([Si](C)(C)C)[C@H]1CO 238239771 572440578 /nfs/dbraw/zinc/44/05/78/572440578.db2.gz BDCZMQIULPZRIN-JTQLQIEISA-N 0 0 198.382 2.973 10 0 AFAERN CC1(OC(=O)Oc2ccccc2)CC1 238239626 572440723 /nfs/dbraw/zinc/44/07/23/572440723.db2.gz GZBAPYKDNLLUHX-UHFFFAOYSA-N 0 0 192.214 2.755 10 0 AFAERN CCCNC(=O)S[C@@H](C)CC 238239991 572440838 /nfs/dbraw/zinc/44/08/38/572440838.db2.gz OYLXIYFDRQCIHK-ZETCQYMHSA-N 0 0 175.297 2.638 10 0 AFAERN Cc1ccc(Cc2cccc(N)n2)cc1 74237655 572440921 /nfs/dbraw/zinc/44/09/21/572440921.db2.gz CZUVMNIUOUVOEF-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CCCCC1=C([C@@H](O)C(C)C)C1 238239635 572441354 /nfs/dbraw/zinc/44/13/54/572441354.db2.gz WBTXYQVYLMNUQR-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN Cc1ccc(Cc2ccncc2N)cc1 74237613 572441363 /nfs/dbraw/zinc/44/13/63/572441363.db2.gz CELXSMHUAROECB-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CC/C=C/CC/C=C\C(=O)NC1CC1 90372800 572441404 /nfs/dbraw/zinc/44/14/04/572441404.db2.gz BTSTZWOTLKSKHV-UTUPVWNLSA-N 0 0 193.290 2.568 10 0 AFAERN O=C1CCCCC[C@H]1C[C@@H]1CCCO1 53336243 572441451 /nfs/dbraw/zinc/44/14/51/572441451.db2.gz HJQIAVRNKRUOLU-QWRGUYRKSA-N 0 0 196.290 2.705 10 0 AFAERN CCc1oc2c(c1C)C(=O)CSC2 76636884 572441453 /nfs/dbraw/zinc/44/14/53/572441453.db2.gz HSVUOIKDHIXGQM-UHFFFAOYSA-N 0 0 196.271 2.580 10 0 AFAERN CCCCC1=C([Si](C)(C)C)[C@@H]1CO 238239749 572441542 /nfs/dbraw/zinc/44/15/42/572441542.db2.gz BDCZMQIULPZRIN-SNVBAGLBSA-N 0 0 198.382 2.973 10 0 AFAERN CCC(CC)Cc1ncc(C=O)s1 74239082 572441609 /nfs/dbraw/zinc/44/16/09/572441609.db2.gz WJGCAGCTXKRLDD-UHFFFAOYSA-N 0 0 197.303 2.934 10 0 AFAERN O=C1CCCCC[C@H]1C[C@H]1CCCO1 53336247 572441617 /nfs/dbraw/zinc/44/16/17/572441617.db2.gz HJQIAVRNKRUOLU-WDEREUQCSA-N 0 0 196.290 2.705 10 0 AFAERN CCc1ccccc1-c1ccc(N)nc1 74237671 572441640 /nfs/dbraw/zinc/44/16/40/572441640.db2.gz BRVJXHQIZNNYQR-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN CC(=O)[C@@H](Cc1nccs1)C(C)C 87392157 572441767 /nfs/dbraw/zinc/44/17/67/572441767.db2.gz FGPUBAQYBCTZEM-VIFPVBQESA-N 0 0 197.303 2.547 10 0 AFAERN CCC(=O)[C@H](C)Cc1nc(C)cs1 87392172 572441785 /nfs/dbraw/zinc/44/17/85/572441785.db2.gz JEXPSDYSNIGHDX-SSDOTTSWSA-N 0 0 197.303 2.609 10 0 AFAERN O=C1CCC[C@@H]1Cc1ccc(Cl)o1 76637713 572441986 /nfs/dbraw/zinc/44/19/86/572441986.db2.gz NTRXGCLNRTVMJP-SSDOTTSWSA-N 0 0 198.649 2.845 10 0 AFAERN CC1(c2noc([C@@H]3CC3(C)C)n2)CC1 351154443 572442062 /nfs/dbraw/zinc/44/20/62/572442062.db2.gz BPUDOESSVJTPDY-ZETCQYMHSA-N 0 0 192.262 2.635 10 0 AFAERN CC[C@@H](/C=C\c1ccccc1)CO 90372973 572442185 /nfs/dbraw/zinc/44/21/85/572442185.db2.gz OLMFCZNVCJZEGE-IQQGHNRFSA-N 0 0 176.259 2.718 10 0 AFAERN O=C1CCCCC[C@@H]1C[C@@H]1CCCO1 53336239 572442472 /nfs/dbraw/zinc/44/24/72/572442472.db2.gz HJQIAVRNKRUOLU-MNOVXSKESA-N 0 0 196.290 2.705 10 0 AFAERN Cc1csc(CCC(=O)C(C)C)n1 87392034 572442559 /nfs/dbraw/zinc/44/25/59/572442559.db2.gz RVEBMHBXFYLBIO-UHFFFAOYSA-N 0 0 197.303 2.609 10 0 AFAERN Cc1ccccc1Cc1cccc(N)n1 74237659 572442552 /nfs/dbraw/zinc/44/25/52/572442552.db2.gz GWYCUFXJRQXGSB-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CCC(=O)[C@@H](C)Cc1nc(C)cs1 87392170 572442580 /nfs/dbraw/zinc/44/25/80/572442580.db2.gz JEXPSDYSNIGHDX-ZETCQYMHSA-N 0 0 197.303 2.609 10 0 AFAERN C=COC(=S)NCCCCCC 238241217 572442596 /nfs/dbraw/zinc/44/25/96/572442596.db2.gz BUZXREVIPVSZRL-UHFFFAOYSA-N 0 0 187.308 2.601 10 0 AFAERN CCC(O)(CC)Cc1nc(C)cs1 87394195 572442606 /nfs/dbraw/zinc/44/26/06/572442606.db2.gz JBHXMAIEWRIKQZ-UHFFFAOYSA-N 0 0 199.319 2.545 10 0 AFAERN CC/C=C\CC/C=C\C(=O)NC1CC1 90372799 572442626 /nfs/dbraw/zinc/44/26/26/572442626.db2.gz BTSTZWOTLKSKHV-KPDBFRNYSA-N 0 0 193.290 2.568 10 0 AFAERN CC(=O)[C@H](Cc1nccs1)C(C)C 87392155 572442636 /nfs/dbraw/zinc/44/26/36/572442636.db2.gz FGPUBAQYBCTZEM-SECBINFHSA-N 0 0 197.303 2.547 10 0 AFAERN O=C1CCSC[C@@H]1C1CCCCC1 76637681 572442649 /nfs/dbraw/zinc/44/26/49/572442649.db2.gz IDMUFNZKHOAIIA-SNVBAGLBSA-N 0 0 198.331 2.889 10 0 AFAERN CC[C@@H](Cc1nc(C)cs1)C(C)=O 87392055 572442664 /nfs/dbraw/zinc/44/26/64/572442664.db2.gz MERBHXSMTIHOMR-VIFPVBQESA-N 0 0 197.303 2.609 10 0 AFAERN C[C@H](c1ccccc1)c1ccc(N)nc1 74237677 572442687 /nfs/dbraw/zinc/44/26/87/572442687.db2.gz BELAWUYLSFWXDK-SNVBAGLBSA-N 0 0 198.269 2.816 10 0 AFAERN O=C1CCC[C@H]1Cc1ccc(Cl)o1 76637711 572442777 /nfs/dbraw/zinc/44/27/77/572442777.db2.gz NTRXGCLNRTVMJP-ZETCQYMHSA-N 0 0 198.649 2.845 10 0 AFAERN Cc1cccc(Cc2cccc(N)n2)c1 74237667 572442787 /nfs/dbraw/zinc/44/27/87/572442787.db2.gz MIEXCUKIHPOCRK-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CCCC(=O)CCc1nc(C)cs1 87392011 572442848 /nfs/dbraw/zinc/44/28/48/572442848.db2.gz ZOFRFHMENVHQBF-UHFFFAOYSA-N 0 0 197.303 2.753 10 0 AFAERN CC[C@H](Cc1nc(C)cs1)C(C)=O 87392057 572442895 /nfs/dbraw/zinc/44/28/95/572442895.db2.gz MERBHXSMTIHOMR-SECBINFHSA-N 0 0 197.303 2.609 10 0 AFAERN Cc1ccc(Cc2cncc(N)c2)cc1 74237586 572443035 /nfs/dbraw/zinc/44/30/35/572443035.db2.gz RJOVFQDHWGKLCW-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN O=C1CCSC[C@H]1C1CCCCC1 76637679 572443103 /nfs/dbraw/zinc/44/31/03/572443103.db2.gz IDMUFNZKHOAIIA-JTQLQIEISA-N 0 0 198.331 2.889 10 0 AFAERN Cc1ccccc1Cc1ccc(N)cn1 74237591 572443133 /nfs/dbraw/zinc/44/31/33/572443133.db2.gz MOUIMFAKRCFKSR-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Cc1ccccc1Cc1ccc(N)nc1 74237678 572443212 /nfs/dbraw/zinc/44/32/12/572443212.db2.gz CUSBCGAIWPRVJZ-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN O=C1CCCCC[C@@H]1C[C@H]1CCCO1 53336246 572443246 /nfs/dbraw/zinc/44/32/46/572443246.db2.gz HJQIAVRNKRUOLU-GHMZBOCLSA-N 0 0 196.290 2.705 10 0 AFAERN CCCCC[C@@H](C(C)=O)[C@H](O)CC 238240342 572443374 /nfs/dbraw/zinc/44/33/74/572443374.db2.gz WJQXHQOTMFRFNU-WDEREUQCSA-N 0 0 186.295 2.543 10 0 AFAERN CCCCOc1ccc(O)cc1OC 238240046 572443545 /nfs/dbraw/zinc/44/35/45/572443545.db2.gz LYTDBTZDCYLGQC-UHFFFAOYSA-N 0 0 196.246 2.580 10 0 AFAERN CO[C@@H](C)[C@](C)(O)C1=CCCCCC1 234738615 572443553 /nfs/dbraw/zinc/44/35/53/572443553.db2.gz ZVHZTHHLEJGDMB-JQWIXIFHSA-N 0 0 198.306 2.663 10 0 AFAERN O=C1CSCc2oc(C3CC3)cc21 76636079 572443705 /nfs/dbraw/zinc/44/37/05/572443705.db2.gz VGTFGLUZCRUJRU-UHFFFAOYSA-N 0 0 194.255 2.587 10 0 AFAERN Cc1cccc(Cc2ccc(N)cn2)c1 74237589 572443713 /nfs/dbraw/zinc/44/37/13/572443713.db2.gz GAPNDRXWISPRIA-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CC[C@@H](CO)CSc1ccccc1 90373073 572443793 /nfs/dbraw/zinc/44/37/93/572443793.db2.gz HFCRUPQNUDDISM-JTQLQIEISA-N 0 0 196.315 2.797 10 0 AFAERN CCCCC[C@@H](C(C)=O)[C@@H](O)CC 238240278 572443817 /nfs/dbraw/zinc/44/38/17/572443817.db2.gz WJQXHQOTMFRFNU-QWRGUYRKSA-N 0 0 186.295 2.543 10 0 AFAERN CC/C=C\CC/C=C/C(=O)NC1CC1 90372801 572443820 /nfs/dbraw/zinc/44/38/20/572443820.db2.gz BTSTZWOTLKSKHV-ODYTWBPASA-N 0 0 193.290 2.568 10 0 endogenous,in-man AFAERN Cc1ccccc1[C@@H](O)c1ccoc1 68890748 572443845 /nfs/dbraw/zinc/44/38/45/572443845.db2.gz HQXQNBKQJRMCNU-LBPRGKRZSA-N 0 0 188.226 2.670 10 0 AFAERN C[C@@H](c1ccccc1)c1cccc(N)n1 74237662 572443958 /nfs/dbraw/zinc/44/39/58/572443958.db2.gz ASUGAKNVSOCKLB-JTQLQIEISA-N 0 0 198.269 2.816 10 0 AFAERN C/C=C\C(C)=C(C)C 90373235 572443990 /nfs/dbraw/zinc/44/39/90/572443990.db2.gz XPQJKTHTVOZXGD-WAYWQWQTSA-N 0 0 110.200 2.919 10 0 AFAERN C[C@@H](c1ccccc1)c1ccc(N)nc1 74237674 572444052 /nfs/dbraw/zinc/44/40/52/572444052.db2.gz BELAWUYLSFWXDK-JTQLQIEISA-N 0 0 198.269 2.816 10 0 AFAERN CC(C)C[C@@H]1CNc2occc2N1C 76636140 572444114 /nfs/dbraw/zinc/44/41/14/572444114.db2.gz CWMPIHKZPCVYAJ-SECBINFHSA-N 0 0 194.278 2.556 10 0 AFAERN CC(C)(C)C(=O)CCc1nccs1 87392021 572444133 /nfs/dbraw/zinc/44/41/33/572444133.db2.gz SETNOEOIUQYLEQ-UHFFFAOYSA-N 0 0 197.303 2.691 10 0 AFAERN Cc1ccccc1[C@H](O)c1ccoc1 68890747 572444268 /nfs/dbraw/zinc/44/42/68/572444268.db2.gz HQXQNBKQJRMCNU-GFCCVEGCSA-N 0 0 188.226 2.670 10 0 AFAERN O=C1CSCC[C@@H]1C1CCCCC1 76637684 572444638 /nfs/dbraw/zinc/44/46/38/572444638.db2.gz INGRCBIREFVJED-SNVBAGLBSA-N 0 0 198.331 2.889 10 0 AFAERN Cc1ccc2[nH]c3[nH]c(C=O)cc3c2c1 74238301 572444826 /nfs/dbraw/zinc/44/48/26/572444826.db2.gz AYFPKYWTESMPEI-UHFFFAOYSA-N 0 0 198.225 2.770 10 0 AFAERN CCCCc1noc(C2CCC2)n1 349602504 572444946 /nfs/dbraw/zinc/44/49/46/572444946.db2.gz ASGOZHGWZIELTL-UHFFFAOYSA-N 0 0 180.251 2.680 10 0 AFAERN CC[C@@H](/C=C\c1ccc(F)cc1)CO 90372971 572444999 /nfs/dbraw/zinc/44/49/99/572444999.db2.gz JSQLBVSQSLSJOD-XOULXFPDSA-N 0 0 194.249 2.857 10 0 AFAERN O=C1CSCC[C@H]1C1CCCCC1 76637682 572445468 /nfs/dbraw/zinc/44/54/68/572445468.db2.gz INGRCBIREFVJED-JTQLQIEISA-N 0 0 198.331 2.889 10 0 AFAERN CCCCCCNC(=N)C(F)(F)F 238240262 572445554 /nfs/dbraw/zinc/44/55/54/572445554.db2.gz ZESMKNJRCWIXEM-UHFFFAOYSA-N 0 0 196.216 2.696 10 0 AFAERN CC(C)C[C@H]1CNc2occc2N1C 76636141 572445676 /nfs/dbraw/zinc/44/56/76/572445676.db2.gz CWMPIHKZPCVYAJ-VIFPVBQESA-N 0 0 194.278 2.556 10 0 AFAERN Cc1ccc2c(c1)[nH]c1[nH]c(C=O)cc12 74238297 572445827 /nfs/dbraw/zinc/44/58/27/572445827.db2.gz RVMLZJIARMRSSX-UHFFFAOYSA-N 0 0 198.225 2.770 10 0 AFAERN CCC[C@H](O)CCc1nc(C)cs1 87395814 572445935 /nfs/dbraw/zinc/44/59/35/572445935.db2.gz SPBMMJHIKXCQSH-VIFPVBQESA-N 0 0 199.319 2.545 10 0 AFAERN CC[C@@H](C)C[C@H](C)Nc1ccncn1 83865380 572448099 /nfs/dbraw/zinc/44/80/99/572448099.db2.gz MPZTZGFLYYVALR-ZJUUUORDSA-N 0 0 193.294 2.713 10 0 AFAERN Cc1cc(C=O)c(C)n1CCC1CC1 83895122 572446193 /nfs/dbraw/zinc/44/61/93/572446193.db2.gz GLHVFFQJZYIUFN-UHFFFAOYSA-N 0 0 191.274 2.718 10 0 AFAERN CCC/C=C\CO[C@H](C)OCC 32219591 572446510 /nfs/dbraw/zinc/44/65/10/572446510.db2.gz UMAFJFXCURZISP-GQYWMQPJSA-N 0 0 172.268 2.742 10 0 AFAERN CC(C)CC1SCCS1 32167657 572446670 /nfs/dbraw/zinc/44/66/70/572446670.db2.gz BZZWMYQPYPQYLG-UHFFFAOYSA-N 0 0 162.323 2.839 10 0 AFAERN O[C@@H](CCC1CC1)c1cccs1 83936152 572446754 /nfs/dbraw/zinc/44/67/54/572446754.db2.gz FBWGLTHVDFXMRE-VIFPVBQESA-N 0 0 182.288 2.972 10 0 AFAERN CC[C@H](C)C[C@@H](C)NCC(F)(F)F 83864777 572446807 /nfs/dbraw/zinc/44/68/07/572446807.db2.gz YGFRZKYWDLYYHB-JGVFFNPUSA-N 0 0 197.244 2.963 10 0 AFAERN O[C@@H](CCC1CC1)C1CCCC1 83936319 572446822 /nfs/dbraw/zinc/44/68/22/572446822.db2.gz ZAPROYGRTSSLPL-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc(Cc2ccc(C=O)o2)o1 32223981 572446825 /nfs/dbraw/zinc/44/68/25/572446825.db2.gz KWIASFUDUPQEGZ-UHFFFAOYSA-N 0 0 190.198 2.584 10 0 AFAERN Cc1cccc2[nH]c3[nH]c(C=O)cc3c12 74238298 572446846 /nfs/dbraw/zinc/44/68/46/572446846.db2.gz GVSMBYRIZHGNLP-UHFFFAOYSA-N 0 0 198.225 2.770 10 0 AFAERN CCC[C@@H](O)CCc1nc(C)cs1 87395815 572446898 /nfs/dbraw/zinc/44/68/98/572446898.db2.gz SPBMMJHIKXCQSH-SECBINFHSA-N 0 0 199.319 2.545 10 0 AFAERN CCCC(=O)[C@@H](C)O[C@H](C)CC 238240774 572446901 /nfs/dbraw/zinc/44/69/01/572446901.db2.gz DYSDKNURXYMLCH-RKDXNWHRSA-N 0 0 172.268 2.559 10 0 AFAERN CCc1ccc(OC)c(C)c1OC 32162445 572447070 /nfs/dbraw/zinc/44/70/70/572447070.db2.gz HGZINGCXEMEYCQ-UHFFFAOYSA-N 0 0 180.247 2.575 10 0 AFAERN CC(C)SC(F)(F)F 32188476 572447343 /nfs/dbraw/zinc/44/73/43/572447343.db2.gz VFEKEJTYEQXZRY-UHFFFAOYSA-N 0 0 144.161 2.648 10 0 AFAERN CCC(O)(CC)CCCOC(C)C 689635902 572447386 /nfs/dbraw/zinc/44/73/86/572447386.db2.gz YKWWNMFUMRAAFV-UHFFFAOYSA-N 0 0 188.311 2.743 10 0 AFAERN CCC/C=C\CO[C@@H](C)OCC 32219589 572447397 /nfs/dbraw/zinc/44/73/97/572447397.db2.gz UMAFJFXCURZISP-DMEOUFDRSA-N 0 0 172.268 2.742 10 0 AFAERN CC=C=C[C@@H](O)CCc1ccccc1 238241908 572447576 /nfs/dbraw/zinc/44/75/76/572447576.db2.gz OANLEGQPQRSQKL-GXKSYSMISA-N 0 0 188.270 2.711 10 0 AFAERN CC[C@H](C)C[C@@H](C)Nc1ncns1 83865319 572447593 /nfs/dbraw/zinc/44/75/93/572447593.db2.gz JCVOCQWLTZWDCP-JGVFFNPUSA-N 0 0 199.323 2.775 10 0 AFAERN CC[C@@H](C)C[C@H](C)NCC(F)(F)F 83864778 572449404 /nfs/dbraw/zinc/44/94/04/572449404.db2.gz YGFRZKYWDLYYHB-SFYZADRCSA-N 0 0 197.244 2.963 10 0 AFAERN CC[C@@H](C)C[C@@H](C)Nc1ncns1 83865318 572447789 /nfs/dbraw/zinc/44/77/89/572447789.db2.gz JCVOCQWLTZWDCP-HTQZYQBOSA-N 0 0 199.323 2.775 10 0 AFAERN CC=C=C[C@H](O)CCc1ccccc1 238242113 572448024 /nfs/dbraw/zinc/44/80/24/572448024.db2.gz OANLEGQPQRSQKL-UVWAHEFOSA-N 0 0 188.270 2.711 10 0 AFAERN O[C@H](CCC1CC1)c1ccsc1 83936207 572448134 /nfs/dbraw/zinc/44/81/34/572448134.db2.gz VPKUXQGTRNGAJW-SNVBAGLBSA-N 0 0 182.288 2.972 10 0 AFAERN CC[C@H](C)C[C@@H](C)Nc1ccncn1 83865379 572448168 /nfs/dbraw/zinc/44/81/68/572448168.db2.gz MPZTZGFLYYVALR-VHSXEESVSA-N 0 0 193.294 2.713 10 0 AFAERN CCOC(=O)[C@H]1C[C@@]1(C)C(C)(C)C 32228727 572448241 /nfs/dbraw/zinc/44/82/41/572448241.db2.gz IHKUIEUVOWMHDV-LDYMZIIASA-N 0 0 184.279 2.622 10 0 AFAERN O[C@H](CCC1CC1)C1CCCC1 83936316 572448369 /nfs/dbraw/zinc/44/83/69/572448369.db2.gz ZAPROYGRTSSLPL-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cc(C)c2c(c1)Nc1c[nH]nc1C2 74214965 572448380 /nfs/dbraw/zinc/44/83/80/572448380.db2.gz FOFZCNNMWKACGR-UHFFFAOYSA-N 0 0 199.257 2.674 10 0 AFAERN CC[C@H](C)C[C@@H](C)Nc1nncs1 83865287 572448383 /nfs/dbraw/zinc/44/83/83/572448383.db2.gz QFPIZBGUTSEWNC-JGVFFNPUSA-N 0 0 199.323 2.775 10 0 AFAERN CC[C@@H](C)C[C@@H](C)Nc1nncs1 83865286 572448478 /nfs/dbraw/zinc/44/84/78/572448478.db2.gz QFPIZBGUTSEWNC-HTQZYQBOSA-N 0 0 199.323 2.775 10 0 AFAERN CSC[C@@H](O)C1=CCCCCC1 235050461 572450274 /nfs/dbraw/zinc/45/02/74/572450274.db2.gz BPTQSTPZSUOZPW-SNVBAGLBSA-N 0 0 186.320 2.601 10 0 AFAERN Cc1ccc2c(c1C)Nc1c[nH]nc1C2 74214960 572448525 /nfs/dbraw/zinc/44/85/25/572448525.db2.gz VWYAGUKFINPRMQ-UHFFFAOYSA-N 0 0 199.257 2.674 10 0 AFAERN O[C@H](CCC1CC1)Cc1ccccc1 83936183 572448577 /nfs/dbraw/zinc/44/85/77/572448577.db2.gz DXVYVPHSPGXTNM-CYBMUJFWSA-N 0 0 190.286 2.780 10 0 AFAERN CCC[C@H]1[C@H](CO)[C@@H]1c1ccccc1 238240727 572448697 /nfs/dbraw/zinc/44/86/97/572448697.db2.gz SSCBQHRJCXFICD-RWMBFGLXSA-N 0 0 190.286 2.809 10 0 AFAERN CCc1ccc2c(c1)-c1c[nH]nc1CN2 74214964 572448776 /nfs/dbraw/zinc/44/87/76/572448776.db2.gz DCRLWMLCKHIYDR-UHFFFAOYSA-N 0 0 199.257 2.565 10 0 AFAERN O[C@@H](CCC1CC1)c1ccsc1 83936212 572448868 /nfs/dbraw/zinc/44/88/68/572448868.db2.gz VPKUXQGTRNGAJW-JTQLQIEISA-N 0 0 182.288 2.972 10 0 AFAERN CC[C@@H](C)C[C@@H](C)Nc1ccncn1 83865378 572448876 /nfs/dbraw/zinc/44/88/76/572448876.db2.gz MPZTZGFLYYVALR-NXEZZACHSA-N 0 0 193.294 2.713 10 0 AFAERN CC=C=CCOc1ccccc1C=O 238241583 572448971 /nfs/dbraw/zinc/44/89/71/572448971.db2.gz KAQXBDFTTLSMOZ-UHFFFAOYSA-N 0 0 188.226 2.609 10 0 AFAERN CC[C@@H](C)C[C@@H](C)NCC(F)(F)F 83864776 572449127 /nfs/dbraw/zinc/44/91/27/572449127.db2.gz YGFRZKYWDLYYHB-HTQZYQBOSA-N 0 0 197.244 2.963 10 0 AFAERN Cc1cc(C)c2c(c1)Cc1n[nH]cc1N2 74214968 572449142 /nfs/dbraw/zinc/44/91/42/572449142.db2.gz MAUODQADPVXKAP-UHFFFAOYSA-N 0 0 199.257 2.674 10 0 AFAERN CC(C)C[C@@H](O)CCC1CC1 83936254 572449176 /nfs/dbraw/zinc/44/91/76/572449176.db2.gz LQJQUEHFYAOSFU-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CCCC(=O)[C@@H](C)O[C@@H](C)CC 238240763 572449181 /nfs/dbraw/zinc/44/91/81/572449181.db2.gz DYSDKNURXYMLCH-DTWKUNHWSA-N 0 0 172.268 2.559 10 0 AFAERN O=Cc1ccc2cc3c(n2c1)CCCC3 74215127 572449228 /nfs/dbraw/zinc/44/92/28/572449228.db2.gz JIBKFXCMLXICSY-UHFFFAOYSA-N 0 0 199.253 2.631 10 0 AFAERN O[C@H](CCC1CC1)c1cccs1 83936147 572449259 /nfs/dbraw/zinc/44/92/59/572449259.db2.gz FBWGLTHVDFXMRE-SECBINFHSA-N 0 0 182.288 2.972 10 0 AFAERN CCCCC=C=CCC(C)=O 238243685 572450874 /nfs/dbraw/zinc/45/08/74/572450874.db2.gz SHQMKFWOZTYENP-UHFFFAOYSA-N 0 0 152.237 2.867 10 0 AFAERN CC[C@@H](C)C[C@H](C)n1cn[nH]c1=S 83865488 572449343 /nfs/dbraw/zinc/44/93/43/572449343.db2.gz MRZWKNSNQOOFGZ-SFYZADRCSA-N 0 0 199.323 2.938 10 0 AFAERN CC(C)[C@@H](SC(C)(C)C)[C@H](C)O 308027165 572449353 /nfs/dbraw/zinc/44/93/53/572449353.db2.gz HPJKMECKIRPMQD-DTWKUNHWSA-N 0 0 190.352 2.924 10 0 AFAERN O=Cc1ccoc1[C@@H]1CCCSC1 74241593 572451115 /nfs/dbraw/zinc/45/11/15/572451115.db2.gz WWDBUPJCOHVOMP-SECBINFHSA-N 0 0 196.271 2.703 10 0 AFAERN CC[C@H](C)C[C@H](C)NCC(F)(F)F 83864779 572449464 /nfs/dbraw/zinc/44/94/64/572449464.db2.gz YGFRZKYWDLYYHB-YUMQZZPRSA-N 0 0 197.244 2.963 10 0 AFAERN CC(C)[C@H](SC(C)(C)C)[C@@H](C)O 308027154 572449574 /nfs/dbraw/zinc/44/95/74/572449574.db2.gz HPJKMECKIRPMQD-BDAKNGLRSA-N 0 0 190.352 2.924 10 0 AFAERN CC[C@H](C)C[C@H](C)Nc1nncs1 83865289 572449603 /nfs/dbraw/zinc/44/96/03/572449603.db2.gz QFPIZBGUTSEWNC-YUMQZZPRSA-N 0 0 199.323 2.775 10 0 AFAERN CC(C)Cc1cc(C=O)c(Cl)n1C 76637914 572449642 /nfs/dbraw/zinc/44/96/42/572449642.db2.gz FZHUHKJKFSYMKL-UHFFFAOYSA-N 0 0 199.681 2.690 10 0 AFAERN CC[C@@H](C)C[C@H](C)Nc1nncs1 83865288 572449874 /nfs/dbraw/zinc/44/98/74/572449874.db2.gz QFPIZBGUTSEWNC-SFYZADRCSA-N 0 0 199.323 2.775 10 0 AFAERN CCOC(=O)[C@@H]1C[C@@]1(C)C(C)(C)C 32228725 572449882 /nfs/dbraw/zinc/44/98/82/572449882.db2.gz IHKUIEUVOWMHDV-GZMMTYOYSA-N 0 0 184.279 2.622 10 0 AFAERN CC[C@@H](C)C[C@H](C)Nc1ncns1 83865320 572449903 /nfs/dbraw/zinc/44/99/03/572449903.db2.gz JCVOCQWLTZWDCP-SFYZADRCSA-N 0 0 199.323 2.775 10 0 AFAERN CC[C@H](C)C[C@@H](C)n1cn[nH]c1=S 83865487 572449954 /nfs/dbraw/zinc/44/99/54/572449954.db2.gz MRZWKNSNQOOFGZ-JGVFFNPUSA-N 0 0 199.323 2.938 10 0 AFAERN CC[C@H](C)C[C@H](C)Nc1ncns1 83865321 572449971 /nfs/dbraw/zinc/44/99/71/572449971.db2.gz JCVOCQWLTZWDCP-YUMQZZPRSA-N 0 0 199.323 2.775 10 0 AFAERN O[C@@H](CCC1CC1)Cc1ccccc1 83936186 572449992 /nfs/dbraw/zinc/44/99/92/572449992.db2.gz DXVYVPHSPGXTNM-ZDUSSCGKSA-N 0 0 190.286 2.780 10 0 AFAERN CC[C@@H](C)C[C@@H](C)n1cn[nH]c1=S 83865486 572450020 /nfs/dbraw/zinc/45/00/20/572450020.db2.gz MRZWKNSNQOOFGZ-HTQZYQBOSA-N 0 0 199.323 2.938 10 0 AFAERN CC[C@H](C)C[C@H](C)n1cn[nH]c1=S 83865489 572450066 /nfs/dbraw/zinc/45/00/66/572450066.db2.gz MRZWKNSNQOOFGZ-YUMQZZPRSA-N 0 0 199.323 2.938 10 0 AFAERN CCc1cccc2c1Nc1c[nH]nc1C2 74214970 572450069 /nfs/dbraw/zinc/45/00/69/572450069.db2.gz ZAQOKJDJMZBPBN-UHFFFAOYSA-N 0 0 199.257 2.620 10 0 AFAERN CC(C)[C@H](SC(C)(C)C)[C@H](C)O 308027173 572450104 /nfs/dbraw/zinc/45/01/04/572450104.db2.gz HPJKMECKIRPMQD-IUCAKERBSA-N 0 0 190.352 2.924 10 0 AFAERN CC[C@H](C)C[C@H](C)Nc1ccncn1 83865381 572450114 /nfs/dbraw/zinc/45/01/14/572450114.db2.gz MPZTZGFLYYVALR-UWVGGRQHSA-N 0 0 193.294 2.713 10 0 AFAERN COCc1ccc2ccccc2c1 32153280 572450323 /nfs/dbraw/zinc/45/03/23/572450323.db2.gz BFGPGMDXLDALBO-UHFFFAOYSA-N 0 0 172.227 2.986 10 0 AFAERN CCCSC[C@@H](O)CCC1CC1 83936729 572451124 /nfs/dbraw/zinc/45/11/24/572451124.db2.gz ALBGVAWCMBZKHZ-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)CC[C@H](O)CCC1CC1 83936383 572450409 /nfs/dbraw/zinc/45/04/09/572450409.db2.gz WZEJENSNJRHBLJ-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CCCC1SCCS1 32167666 572450471 /nfs/dbraw/zinc/45/04/71/572450471.db2.gz YFPNQWYEDBOBMI-UHFFFAOYSA-N 0 0 148.296 2.593 10 0 AFAERN Cc1ccnc([C@@H](O)CCC2CC2)c1 83936630 572450474 /nfs/dbraw/zinc/45/04/74/572450474.db2.gz YWBDDMZFPRJWCR-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN O[C@@H](CCC1CC1)c1ccoc1 83936645 572450495 /nfs/dbraw/zinc/45/04/95/572450495.db2.gz CMHKDHMDYWCCAQ-JTQLQIEISA-N 0 0 166.220 2.503 10 0 AFAERN CC(C)SC[C@@H](O)CCC1CC1 83936733 572450654 /nfs/dbraw/zinc/45/06/54/572450654.db2.gz NLDOFIMGVMKZNN-JTQLQIEISA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H]1Nc2ccc(Cl)cc2N[C@@H]1C 209038760 572450674 /nfs/dbraw/zinc/45/06/74/572450674.db2.gz MGNLELCPENHDNR-NKWVEPMBSA-N 0 0 196.681 2.954 10 0 AFAERN CC(C)Cc1nc2cc(N)oc2s1 74241459 572450737 /nfs/dbraw/zinc/45/07/37/572450737.db2.gz FMKHIMAFTQPLJR-UHFFFAOYSA-N 0 0 196.275 2.670 10 0 AFAERN C[C@H]1Nc2ccc(Cl)cc2N[C@@H]1C 209038729 572450777 /nfs/dbraw/zinc/45/07/77/572450777.db2.gz MGNLELCPENHDNR-RNFRBKRXSA-N 0 0 196.681 2.954 10 0 AFAERN CCCCC=C=C[C@H](C)CO 238243837 572450806 /nfs/dbraw/zinc/45/08/06/572450806.db2.gz ANYRQANFGNIMEF-MHPPCMCBSA-N 0 0 154.253 2.516 10 0 AFAERN CCCCC=C=CCCCO 238243716 572450824 /nfs/dbraw/zinc/45/08/24/572450824.db2.gz ZZVMGMDPGJHYEE-UHFFFAOYSA-N 0 0 154.253 2.660 10 0 AFAERN CC(C)Cc1nc2coc(N)c2s1 74241463 572450910 /nfs/dbraw/zinc/45/09/10/572450910.db2.gz UKBCMZSKBZLNPR-UHFFFAOYSA-N 0 0 196.275 2.670 10 0 AFAERN CC(C)Cc1nc2c(N)csc2o1 74241470 572450915 /nfs/dbraw/zinc/45/09/15/572450915.db2.gz DCCBPYDNZVFFBB-UHFFFAOYSA-N 0 0 196.275 2.670 10 0 AFAERN CCCCC=C=C[C@@H](C)CO 238243778 572450935 /nfs/dbraw/zinc/45/09/35/572450935.db2.gz ANYRQANFGNIMEF-OMNKOJBGSA-N 0 0 154.253 2.516 10 0 AFAERN CNc1ccc(OCCC2CC2)cc1 83939603 572450974 /nfs/dbraw/zinc/45/09/74/572450974.db2.gz WGVNDFLIEBMNNC-UHFFFAOYSA-N 0 0 191.274 2.907 10 0 AFAERN C[C@@H]1Nc2cc(Cl)ccc2N[C@@H]1C 209038696 572450990 /nfs/dbraw/zinc/45/09/90/572450990.db2.gz MGNLELCPENHDNR-RQJHMYQMSA-N 0 0 196.681 2.954 10 0 AFAERN CC[C@@H](C)[C@@H](O)CCC1CC1 83936624 572451039 /nfs/dbraw/zinc/45/10/39/572451039.db2.gz SKMYAUYTEUFFLK-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@H](CCC1CC1)c1ccoc1 83936642 572451043 /nfs/dbraw/zinc/45/10/43/572451043.db2.gz CMHKDHMDYWCCAQ-SNVBAGLBSA-N 0 0 166.220 2.503 10 0 AFAERN CC(C)c1noc(CC(C)(C)C)c1N 74241299 572451068 /nfs/dbraw/zinc/45/10/68/572451068.db2.gz AZBTYIVSFMCORJ-UHFFFAOYSA-N 0 0 196.294 2.969 10 0 AFAERN Cc1cccc([C@@H](O)CCC2CC2)n1 83936610 572451297 /nfs/dbraw/zinc/45/12/97/572451297.db2.gz GEHXRKYCJOZLOX-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN CC(C)c1csc2c1CC[C@H](O)C2 74241016 572451331 /nfs/dbraw/zinc/45/13/31/572451331.db2.gz NAKOBOWJFSFTDE-QMMMGPOBSA-N 0 0 196.315 2.721 10 0 AFAERN NN1CCCCC[C@@H]1c1ccsc1 74241009 572453256 /nfs/dbraw/zinc/45/32/56/572453256.db2.gz PHNVTWRDGBJLLS-SNVBAGLBSA-N 0 0 196.319 2.539 10 0 AFAERN CCCCC[C@@H]1C[C@H]1[C@@H](O)CC 308027623 572451396 /nfs/dbraw/zinc/45/13/96/572451396.db2.gz HTHZWSVLDZWLNI-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccnc([C@H](O)CCC2CC2)c1 83936629 572451511 /nfs/dbraw/zinc/45/15/11/572451511.db2.gz YWBDDMZFPRJWCR-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CC(C)CC[C@@H](O)CCC1CC1 83936385 572451525 /nfs/dbraw/zinc/45/15/25/572451525.db2.gz WZEJENSNJRHBLJ-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1scnc1-c1sccc1N 74241028 572451607 /nfs/dbraw/zinc/45/16/07/572451607.db2.gz CLXXAQKHWIGUJP-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CCC[C@@H](C)C1CCC(NC=O)CC1 238246776 572451628 /nfs/dbraw/zinc/45/16/28/572451628.db2.gz JSNGKWJNUHFDEO-VOMCLLRMSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1csc(-c2ncsc2N)c1 74241035 572453388 /nfs/dbraw/zinc/45/33/88/572453388.db2.gz XUWDNXZKLZGWQO-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CCCC[C@@H]1C=CC=C[C@@H](O)C=C1 90416718 572451738 /nfs/dbraw/zinc/45/17/38/572451738.db2.gz DFCHMRTVIYXYMT-VXGBXAGGSA-N 0 0 178.275 2.836 10 0 AFAERN O=Cc1cocc1[C@@H]1CCCSC1 74241596 572453318 /nfs/dbraw/zinc/45/33/18/572453318.db2.gz RBXJKZRZDLYUSN-MRVPVSSYSA-N 0 0 196.271 2.703 10 0 AFAERN CC(C)SC[C@H](O)CCC1CC1 83936732 572451784 /nfs/dbraw/zinc/45/17/84/572451784.db2.gz NLDOFIMGVMKZNN-SNVBAGLBSA-N 0 0 188.336 2.679 10 0 AFAERN O[C@@H](CCC1CC1)Cc1cccs1 83936483 572451827 /nfs/dbraw/zinc/45/18/27/572451827.db2.gz VJXPPZLIEQMSKI-JTQLQIEISA-N 0 0 196.315 2.842 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)CCC2CC2)C1 83936935 572453507 /nfs/dbraw/zinc/45/35/07/572453507.db2.gz ZGEOBPUMVXESDX-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN CCCC[C@H]1NC(=O)N=C[C@@H]1CCC 238246794 572451983 /nfs/dbraw/zinc/45/19/83/572451983.db2.gz HJIJNJPWVNNFDE-VHSXEESVSA-N 0 0 196.294 2.756 10 0 AFAERN CCCCC[C@@H]1C[C@@H]1[C@H](O)CC 308027624 572452005 /nfs/dbraw/zinc/45/20/05/572452005.db2.gz HTHZWSVLDZWLNI-OUAUKWLOSA-N 0 0 170.296 2.974 10 0 AFAERN O[C@@H](CCC1CC1)c1ccco1 83936514 572452066 /nfs/dbraw/zinc/45/20/66/572452066.db2.gz IBNOPZAXQNGWNU-VIFPVBQESA-N 0 0 166.220 2.503 10 0 AFAERN CCCNc1ccc(C)c(COC)c1 238247162 572452278 /nfs/dbraw/zinc/45/22/78/572452278.db2.gz IAWVEKWSEYFPNU-UHFFFAOYSA-N 0 0 193.290 2.963 10 0 AFAERN CC[C@H](C)[C@@H](O)CCC1CC1 83936627 572452279 /nfs/dbraw/zinc/45/22/79/572452279.db2.gz SKMYAUYTEUFFLK-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)C[C@H](O)CCC1CC1 83936633 572452296 /nfs/dbraw/zinc/45/22/96/572452296.db2.gz JCQPZUYHMRQNJT-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccnc1[C@H](O)CCC1CC1 83936419 572452334 /nfs/dbraw/zinc/45/23/34/572452334.db2.gz MLYXWZDJEOFXBF-LLVKDONJSA-N 0 0 191.274 2.614 10 0 AFAERN CCCCSCCC[C@@H](C)O 238246582 572452351 /nfs/dbraw/zinc/45/23/51/572452351.db2.gz FMWWHZIDYGRQTB-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN CCC[C@@H](C)CCNC(=O)OCC 238247177 572452369 /nfs/dbraw/zinc/45/23/69/572452369.db2.gz IEGIUVNRCPLYCT-SECBINFHSA-N 0 0 187.283 2.559 10 0 AFAERN CCCSC[C@H](O)CCC1CC1 83936725 572452411 /nfs/dbraw/zinc/45/24/11/572452411.db2.gz ALBGVAWCMBZKHZ-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN Cc1[nH]c([C@H](O)[C@@H]2C[C@@H]2C)c(C)c1C 68944439 572452432 /nfs/dbraw/zinc/45/24/32/572452432.db2.gz QBPDTQSXKYQIJP-ISROVCFRSA-N 0 0 193.290 2.629 10 0 AFAERN CC(C)(C)C[C@@H](O)CCC1CC1 83936635 572452435 /nfs/dbraw/zinc/45/24/35/572452435.db2.gz JCQPZUYHMRQNJT-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN CCCCC[C@@H]1C[C@H]1[C@H](O)CC 308027622 572452473 /nfs/dbraw/zinc/45/24/73/572452473.db2.gz HTHZWSVLDZWLNI-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN Nc1cc(C2CCCC2)cc(Cl)n1 74240742 572452491 /nfs/dbraw/zinc/45/24/91/572452491.db2.gz KUJBMSREABWKIX-UHFFFAOYSA-N 0 0 196.681 2.975 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)CCC2CC2)C1 83936931 572452511 /nfs/dbraw/zinc/45/25/11/572452511.db2.gz ZGEOBPUMVXESDX-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN CCCCSCCC[C@H](C)O 238246596 572452520 /nfs/dbraw/zinc/45/25/20/572452520.db2.gz FMWWHZIDYGRQTB-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN Cc1[nH]c([C@H](O)[C@H]2C[C@@H]2C)c(C)c1C 68944442 572452593 /nfs/dbraw/zinc/45/25/93/572452593.db2.gz QBPDTQSXKYQIJP-LTEOIEINSA-N 0 0 193.290 2.629 10 0 AFAERN C/C=C/Cn1cc(C)c(C)c1C 68944311 572452683 /nfs/dbraw/zinc/45/26/83/572452683.db2.gz SGMIFOBYQGHQHM-AATRIKPKSA-N 0 0 163.264 2.989 10 0 AFAERN CCC[C@H](O)c1[nH]c(C)c(C)c1C 68944399 572452689 /nfs/dbraw/zinc/45/26/89/572452689.db2.gz CUGQFCZJPNLJJP-JTQLQIEISA-N 0 0 181.279 2.773 10 0 AFAERN Cc1cccnc1[C@@H](O)CCC1CC1 83936423 572452783 /nfs/dbraw/zinc/45/27/83/572452783.db2.gz MLYXWZDJEOFXBF-NSHDSACASA-N 0 0 191.274 2.614 10 0 AFAERN CSCCCn1cc(C)c(C)c1 308030947 572452784 /nfs/dbraw/zinc/45/27/84/572452784.db2.gz ZOVQAPDMYSBALL-UHFFFAOYSA-N 0 0 183.320 2.858 10 0 AFAERN O=Cc1ccc([C@@H]2CCCSC2)o1 74241590 572452828 /nfs/dbraw/zinc/45/28/28/572452828.db2.gz XVUCFQMRUWKJTN-MRVPVSSYSA-N 0 0 196.271 2.703 10 0 AFAERN CCCCCc1cc(C)cn1CCO 238247275 572452901 /nfs/dbraw/zinc/45/29/01/572452901.db2.gz VLFIZVYSYVDCRF-UHFFFAOYSA-N 0 0 195.306 2.522 10 0 AFAERN O=Cc1cc(C2CCSCC2)co1 74241610 572452980 /nfs/dbraw/zinc/45/29/80/572452980.db2.gz FDADIUQWYVDXJZ-UHFFFAOYSA-N 0 0 196.271 2.703 10 0 AFAERN CCCC[C@H]1NC(=O)N=C[C@H]1CCC 238246803 572453126 /nfs/dbraw/zinc/45/31/26/572453126.db2.gz HJIJNJPWVNNFDE-NXEZZACHSA-N 0 0 196.294 2.756 10 0 AFAERN Cc1ncsc1-c1sccc1N 74241027 572453167 /nfs/dbraw/zinc/45/31/67/572453167.db2.gz AVLCMTPUMCIVOO-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CCCC(=O)O[C@@H](C)C1CCC1 308027664 572453212 /nfs/dbraw/zinc/45/32/12/572453212.db2.gz HVLRFRJSZHCKRK-QMMMGPOBSA-N 0 0 170.252 2.518 10 0 AFAERN O=Cc1cocc1[C@H]1CCCSC1 74241599 572453213 /nfs/dbraw/zinc/45/32/13/572453213.db2.gz RBXJKZRZDLYUSN-QMMMGPOBSA-N 0 0 196.271 2.703 10 0 AFAERN Cc1cn(CC(F)F)c(C)c1C 68944306 572453231 /nfs/dbraw/zinc/45/32/31/572453231.db2.gz VXULXPHNDDYUND-UHFFFAOYSA-N 0 0 173.206 2.678 10 0 AFAERN O[C@H](CCC1CC1)c1ccco1 83936513 572453298 /nfs/dbraw/zinc/45/32/98/572453298.db2.gz IBNOPZAXQNGWNU-SECBINFHSA-N 0 0 166.220 2.503 10 0 AFAERN CC[C@@H](C)[C@H](O)CCC1CC1 83936618 572453371 /nfs/dbraw/zinc/45/33/71/572453371.db2.gz SKMYAUYTEUFFLK-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CCCCCC(=O)C(C)(C)[C@@H](C)O 238247558 572453378 /nfs/dbraw/zinc/45/33/78/572453378.db2.gz AFNFZYKRWOUOSD-SECBINFHSA-N 0 0 186.295 2.543 10 0 AFAERN CC(C)(C)c1nc2cc(N)sc2o1 74241471 572453423 /nfs/dbraw/zinc/45/34/23/572453423.db2.gz YYJAVNNBWVRWAM-UHFFFAOYSA-N 0 0 196.275 2.769 10 0 AFAERN CC(C)c1nc(CN)oc1C(C)(C)C 74241279 572453467 /nfs/dbraw/zinc/45/34/67/572453467.db2.gz QXOAJEYKNUJMQI-UHFFFAOYSA-N 0 0 196.294 2.554 10 0 AFAERN CC[C@H](C)[C@H](O)CCC1CC1 83936620 572453547 /nfs/dbraw/zinc/45/35/47/572453547.db2.gz SKMYAUYTEUFFLK-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cccc([C@H](O)CCC2CC2)n1 83936608 572453623 /nfs/dbraw/zinc/45/36/23/572453623.db2.gz GEHXRKYCJOZLOX-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN COC(=O)/C=C(\C)c1ccc(C)s1 308031795 572453649 /nfs/dbraw/zinc/45/36/49/572453649.db2.gz PARQSBRSLNCWDN-VOTSOKGWSA-N 0 0 196.271 2.633 10 0 AFAERN CCCO[C@@H](C)Oc1ccccc1O 238245376 572453666 /nfs/dbraw/zinc/45/36/66/572453666.db2.gz WKGMYIUMKIOWRT-SECBINFHSA-N 0 0 196.246 2.544 10 0 AFAERN O=Cc1ccc([C@H]2CCCSC2)o1 74241591 572453669 /nfs/dbraw/zinc/45/36/69/572453669.db2.gz XVUCFQMRUWKJTN-QMMMGPOBSA-N 0 0 196.271 2.703 10 0 AFAERN C[C@@H]1COc2c1cc(N)c1ccccc21 90399724 572453684 /nfs/dbraw/zinc/45/36/84/572453684.db2.gz ICVDFLVEOOGKCO-MRVPVSSYSA-N 0 0 199.253 2.918 10 0 AFAERN Cc1sc2oc(C(C)C)nc2c1N 74241468 572453734 /nfs/dbraw/zinc/45/37/34/572453734.db2.gz OHPAAGHVGYOAKC-UHFFFAOYSA-N 0 0 196.275 2.903 10 0 AFAERN CCc1nc([C@H](C)N)oc1C(C)(C)C 74241258 572453738 /nfs/dbraw/zinc/45/37/38/572453738.db2.gz CFYUEFVBSWFOSB-ZETCQYMHSA-N 0 0 196.294 2.554 10 0 AFAERN C=C=C(C[C@H](O)CC)C(C)(C)C 90414184 572453763 /nfs/dbraw/zinc/45/37/63/572453763.db2.gz DRFDSOUZFTXGRN-SNVBAGLBSA-N 0 0 168.280 2.905 10 0 AFAERN CCCC(C)(C)C(=O)CSC 238247799 572453770 /nfs/dbraw/zinc/45/37/70/572453770.db2.gz XMJGZFBGJIILTA-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN O=Cc1occc1[C@@H]1CCCSC1 74241600 572453866 /nfs/dbraw/zinc/45/38/66/572453866.db2.gz OWLZMUHEPMYYRG-MRVPVSSYSA-N 0 0 196.271 2.703 10 0 AFAERN CCC[C@@H](O)c1[nH]c(C)c(C)c1C 68944401 572453907 /nfs/dbraw/zinc/45/39/07/572453907.db2.gz CUGQFCZJPNLJJP-SNVBAGLBSA-N 0 0 181.279 2.773 10 0 AFAERN CCCCCc1ccc(C=O)[nH]1 238247953 572453915 /nfs/dbraw/zinc/45/39/15/572453915.db2.gz JESGEFTXDCNJRN-UHFFFAOYSA-N 0 0 165.236 2.560 10 0 AFAERN CC(C)c1csc2c1CC[C@@H](O)C2 74241018 572453973 /nfs/dbraw/zinc/45/39/73/572453973.db2.gz NAKOBOWJFSFTDE-MRVPVSSYSA-N 0 0 196.315 2.721 10 0 AFAERN O=Cc1cc([C@@H]2CCCSC2)co1 74241604 572453976 /nfs/dbraw/zinc/45/39/76/572453976.db2.gz ZAXXVCIYOYCJGD-MRVPVSSYSA-N 0 0 196.271 2.703 10 0 AFAERN CCCCCc1c[nH]c(=S)n1C 238246866 572453986 /nfs/dbraw/zinc/45/39/86/572453986.db2.gz GGXUUOOJLJHBTA-UHFFFAOYSA-N 0 0 184.308 2.815 10 0 AFAERN C=C=C(CCCC)[C@H](C)CO 90425061 572454011 /nfs/dbraw/zinc/45/40/11/572454011.db2.gz QJCBPOCCGRLELA-SECBINFHSA-N 0 0 154.253 2.516 10 0 AFAERN C=C=C(C[C@@H](O)CC)C(C)(C)C 90414183 572454132 /nfs/dbraw/zinc/45/41/32/572454132.db2.gz DRFDSOUZFTXGRN-JTQLQIEISA-N 0 0 168.280 2.905 10 0 AFAERN Cc1[nH]c([C@H](O)CC2CC2)c(C)c1C 68944375 572454196 /nfs/dbraw/zinc/45/41/96/572454196.db2.gz ZEGUPTXCETWGOY-LLVKDONJSA-N 0 0 193.290 2.773 10 0 AFAERN O=Cc1cc([C@H]2CCCSC2)co1 74241606 572454172 /nfs/dbraw/zinc/45/41/72/572454172.db2.gz ZAXXVCIYOYCJGD-QMMMGPOBSA-N 0 0 196.271 2.703 10 0 AFAERN Cc1c(N)sc2nc(C(C)C)oc12 74241466 572454260 /nfs/dbraw/zinc/45/42/60/572454260.db2.gz ONMYVLZXSBRHOM-UHFFFAOYSA-N 0 0 196.275 2.903 10 0 AFAERN Cc1ccc(-c2sncc2N)s1 74241025 572454265 /nfs/dbraw/zinc/45/42/65/572454265.db2.gz NPSWYLNGNGFARV-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN C=C=C(CCCC)[C@@H](C)CO 90425060 572454337 /nfs/dbraw/zinc/45/43/37/572454337.db2.gz QJCBPOCCGRLELA-VIFPVBQESA-N 0 0 154.253 2.516 10 0 AFAERN O=Cc1ccoc1[C@H]1CCCSC1 74241595 572454349 /nfs/dbraw/zinc/45/43/49/572454349.db2.gz WWDBUPJCOHVOMP-VIFPVBQESA-N 0 0 196.271 2.703 10 0 AFAERN Cc1cccc(OCCC2CC2)c1N 83926066 572454410 /nfs/dbraw/zinc/45/44/10/572454410.db2.gz FZQASNLRMJXISR-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CCCCC[C@@H]1C[C@@H]1[C@@H](O)CC 308027625 572454452 /nfs/dbraw/zinc/45/44/52/572454452.db2.gz HTHZWSVLDZWLNI-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)Cc1nc2oc(N)cc2s1 74241462 572454542 /nfs/dbraw/zinc/45/45/42/572454542.db2.gz WIOIJDBDYMYBHL-UHFFFAOYSA-N 0 0 196.275 2.670 10 0 AFAERN CCCNC(=S)Cc1ccccc1 238247051 572454587 /nfs/dbraw/zinc/45/45/87/572454587.db2.gz WLFBGQFBOLTOQM-UHFFFAOYSA-N 0 0 193.315 2.556 10 0 AFAERN CCC[C@H](C)CCNC(=O)OCC 238247187 572454592 /nfs/dbraw/zinc/45/45/92/572454592.db2.gz IEGIUVNRCPLYCT-VIFPVBQESA-N 0 0 187.283 2.559 10 0 AFAERN Cc1nc(CC(C)C)sc1[C@H](C)O 44594110 572454631 /nfs/dbraw/zinc/45/46/31/572454631.db2.gz AYWOMRBAXDDOQM-QMMMGPOBSA-N 0 0 199.319 2.703 10 0 AFAERN O=Cc1cocc1C1CCSCC1 74241608 572454633 /nfs/dbraw/zinc/45/46/33/572454633.db2.gz DNMBYYXVCUBBBC-UHFFFAOYSA-N 0 0 196.271 2.703 10 0 AFAERN O=Cc1occc1[C@H]1CCCSC1 74241602 572454683 /nfs/dbraw/zinc/45/46/83/572454683.db2.gz OWLZMUHEPMYYRG-QMMMGPOBSA-N 0 0 196.271 2.703 10 0 AFAERN Nc1ccc(OCCC2CC2)cc1F 83926072 572454714 /nfs/dbraw/zinc/45/47/14/572454714.db2.gz YAJOUWZDBXRYNI-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN CCC[C@H](C)C1CCC(NC=O)CC1 238246875 572454751 /nfs/dbraw/zinc/45/47/51/572454751.db2.gz JSNGKWJNUHFDEO-UNXYVOJBSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1cc(OCCC2CC2)ccc1N 83926052 572454786 /nfs/dbraw/zinc/45/47/86/572454786.db2.gz FVIPSPDCWNLNIJ-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN Cc1[nH]c([C@@H](O)CC2CC2)c(C)c1C 68944377 572454905 /nfs/dbraw/zinc/45/49/05/572454905.db2.gz ZEGUPTXCETWGOY-NSHDSACASA-N 0 0 193.290 2.773 10 0 AFAERN Cc1c(N)cccc1OCCC1CC1 83926065 572454948 /nfs/dbraw/zinc/45/49/48/572454948.db2.gz BJJDUORTDWBKKE-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN C=C=C(CCCC)C[C@@H](C)O 90425088 572455028 /nfs/dbraw/zinc/45/50/28/572455028.db2.gz MZWWJPGKWZJFES-SECBINFHSA-N 0 0 154.253 2.659 10 0 AFAERN COc1ccc(NCCC2CC2)cc1 83926329 572455055 /nfs/dbraw/zinc/45/50/55/572455055.db2.gz RCSJRVQEGCUINZ-UHFFFAOYSA-N 0 0 191.274 2.907 10 0 AFAERN Cc1ccc(OCCC2CC2)c(N)c1 83926069 572455071 /nfs/dbraw/zinc/45/50/71/572455071.db2.gz GCBIIIAVQIKCOC-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CC[C@H](O)/C=C\c1cccs1 90413832 572455145 /nfs/dbraw/zinc/45/51/45/572455145.db2.gz XILUGUMEEGVFRV-SLGIHZDVSA-N 0 0 168.261 2.532 10 0 AFAERN CCC(C)(C)C[C@@]1(CO)C[C@H]1C 713251108 572455155 /nfs/dbraw/zinc/45/51/55/572455155.db2.gz VCAHZGGHVANLKS-MWLCHTKSSA-N 0 0 170.296 2.831 10 0 AFAERN C=C=C(CCC)C[C@@H](O)CC 90415934 572455250 /nfs/dbraw/zinc/45/52/50/572455250.db2.gz SVAGCVPSVGLAOX-JTQLQIEISA-N 0 0 154.253 2.659 10 0 AFAERN c1ccn(CC(C2CC2)C2CC2)c1 83912232 572455306 /nfs/dbraw/zinc/45/53/06/572455306.db2.gz FDJDNWQVWQDWNM-UHFFFAOYSA-N 0 0 175.275 2.924 10 0 AFAERN COc1cccc(NCCC2CC2)c1 83926325 572455348 /nfs/dbraw/zinc/45/53/48/572455348.db2.gz HGPHUWWVFISITF-UHFFFAOYSA-N 0 0 191.274 2.907 10 0 AFAERN CC(C)[C@@H]1CC(=O)c2ccccc2N1 44605028 572455403 /nfs/dbraw/zinc/45/54/03/572455403.db2.gz LIETWSLHSSTRDB-NSHDSACASA-N 0 0 189.258 2.710 10 0 AFAERN Nc1cc(F)ccc1OCCC1CC1 83926079 572455413 /nfs/dbraw/zinc/45/54/13/572455413.db2.gz CNAABFYMJIHZHM-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN Clc1ncccc1OCCC1CC1 83926777 572455584 /nfs/dbraw/zinc/45/55/84/572455584.db2.gz DCNXGGVHTXPZCA-UHFFFAOYSA-N 0 0 197.665 2.914 10 0 AFAERN CCC(C)(C)N[C@H](C)C(F)(F)F 308033007 572455793 /nfs/dbraw/zinc/45/57/93/572455793.db2.gz JLGRFJXCYLGKMS-ZCFIWIBFSA-N 0 0 183.217 2.715 10 0 AFAERN CC(C)NC(=O)Sc1ccccc1 44605470 572455874 /nfs/dbraw/zinc/45/58/74/572455874.db2.gz GHVNOMLMOUKJOC-UHFFFAOYSA-N 0 0 195.287 2.897 10 0 AFAERN C[C@H](O)[C@@H](C)C/C=C\[Si](C)(C)C 308033030 572455888 /nfs/dbraw/zinc/45/58/88/572455888.db2.gz JNHIYAWWKUNJLC-RASWUEQRSA-N 0 0 186.371 2.827 10 0 AFAERN CCC(C)(C)C[C@]1(CO)C[C@@H]1C 713251110 572455940 /nfs/dbraw/zinc/45/59/40/572455940.db2.gz VCAHZGGHVANLKS-ONGXEEELSA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@@H](CC(C)C)[C@H](O)C1=COCC1 308032860 572456072 /nfs/dbraw/zinc/45/60/72/572456072.db2.gz PXLNFMWRAPSUFJ-JQWIXIFHSA-N 0 0 198.306 2.724 10 0 AFAERN CCC[C@@H](Nc1ccccc1)[C@H](C)O 238251933 572456254 /nfs/dbraw/zinc/45/62/54/572456254.db2.gz HRVYGWQSYBWVBF-CMPLNLGQSA-N 0 0 193.290 2.648 10 0 AFAERN CC(C)(C)[C@@H](O)C[C@@]1(C)CC1(F)F 689643881 572456259 /nfs/dbraw/zinc/45/62/59/572456259.db2.gz BPCPSOWEYOCGOG-CBAPKCEASA-N 0 0 192.249 2.829 10 0 AFAERN C[C@H](O)[C@H](C)C/C=C\[Si](C)(C)C 308033031 572456303 /nfs/dbraw/zinc/45/63/03/572456303.db2.gz JNHIYAWWKUNJLC-VCNAMUQVSA-N 0 0 186.371 2.827 10 0 AFAERN Cc1nc(CC(C)C)sc1[C@@H](C)O 44594109 572456308 /nfs/dbraw/zinc/45/63/08/572456308.db2.gz AYWOMRBAXDDOQM-MRVPVSSYSA-N 0 0 199.319 2.703 10 0 AFAERN CCCCCC(=O)C[C@@H](O)CCC 90429577 572456386 /nfs/dbraw/zinc/45/63/86/572456386.db2.gz JLHYGVAOTFZPGL-JTQLQIEISA-N 0 0 186.295 2.687 10 0 AFAERN CC[C@H]1C(=O)CC[C@@H]2C[C@@]21CC 196794808 572456505 /nfs/dbraw/zinc/45/65/05/572456505.db2.gz MQMHBWKVRIJKDI-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN Nc1ccc(OCCC2CC2)c(F)c1 83926062 572456541 /nfs/dbraw/zinc/45/65/41/572456541.db2.gz KZJQJUFBDMJSAH-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN C[C@H](O)[C@H](C)C/C=C/[Si](C)(C)C 308033032 572456650 /nfs/dbraw/zinc/45/66/50/572456650.db2.gz JNHIYAWWKUNJLC-ZQMPTTJKSA-N 0 0 186.371 2.827 10 0 AFAERN CCCC[C@@H](C)CC(=S)NC 238251949 572456685 /nfs/dbraw/zinc/45/66/85/572456685.db2.gz BRFQBDIXQYRWRO-MRVPVSSYSA-N 0 0 173.325 2.750 10 0 AFAERN CCCCOC(=O)c1ccc(CC)o1 88672500 572456703 /nfs/dbraw/zinc/45/67/03/572456703.db2.gz NXPSDDBUKUTSCE-UHFFFAOYSA-N 0 0 196.246 2.799 10 0 AFAERN O=C1CCCc2ccccc2N1Cl 196781490 572456719 /nfs/dbraw/zinc/45/67/19/572456719.db2.gz DTJFELIUVHQTFC-UHFFFAOYSA-N 0 0 195.649 2.510 10 0 AFAERN CCCCCC[C@@H](CCC)C(N)=O 90430951 572456742 /nfs/dbraw/zinc/45/67/42/572456742.db2.gz GDDJVAPPUNRHSX-SNVBAGLBSA-N 0 0 185.311 2.858 10 0 AFAERN C[C@H]1CCc2ccccc2[C@@H](O)C1 61831978 572456772 /nfs/dbraw/zinc/45/67/72/572456772.db2.gz FBVLWCLLLWYOTR-CABZTGNLSA-N 0 0 176.259 2.692 10 0 AFAERN CC(C)[C@H]1CC(=O)c2ccccc2N1 44605031 572456924 /nfs/dbraw/zinc/45/69/24/572456924.db2.gz LIETWSLHSSTRDB-LLVKDONJSA-N 0 0 189.258 2.710 10 0 AFAERN CCCCCc1ccc(C(=O)OC)[nH]1 90430640 572457029 /nfs/dbraw/zinc/45/70/29/572457029.db2.gz XSPGCOGTXUNKJW-UHFFFAOYSA-N 0 0 195.262 2.534 10 0 AFAERN CC[C@@H]1C(=O)C2C[C@H]3[C@@H](C2)C13CC 196795339 572457036 /nfs/dbraw/zinc/45/70/36/572457036.db2.gz XEWUEZNDGARIMC-RRFNDXNDSA-N 0 0 178.275 2.648 10 0 AFAERN Cc1ccc(N)c(OCCC2CC2)c1 83926055 572457089 /nfs/dbraw/zinc/45/70/89/572457089.db2.gz PIMHPMNHUZDXSW-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CCCC[C@@H](C)OC(=O)C1CC1 308032537 572457123 /nfs/dbraw/zinc/45/71/23/572457123.db2.gz JJHKVCDUPZVYJL-MRVPVSSYSA-N 0 0 170.252 2.518 10 0 AFAERN Cc1ccc(N)cc1OCCC1CC1 83926067 572457148 /nfs/dbraw/zinc/45/71/48/572457148.db2.gz IOOCKXXYUGRMDO-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CCC[C@@H](Nc1ccccc1)[C@@H](C)O 238251927 572457195 /nfs/dbraw/zinc/45/71/95/572457195.db2.gz HRVYGWQSYBWVBF-ZYHUDNBSSA-N 0 0 193.290 2.648 10 0 AFAERN O=Cc1ccccc1OCCC1CC1 83926783 572457230 /nfs/dbraw/zinc/45/72/30/572457230.db2.gz DJHKYZDYPAYCKW-UHFFFAOYSA-N 0 0 190.242 2.678 10 0 AFAERN CC[C@@H]1C(=O)CC[C@@H]2C[C@]12CC 196794796 572457252 /nfs/dbraw/zinc/45/72/52/572457252.db2.gz MQMHBWKVRIJKDI-KKZNHRDASA-N 0 0 166.264 2.792 10 0 AFAERN CCC[C@@H](O)CCCC(F)F 238255162 572457278 /nfs/dbraw/zinc/45/72/78/572457278.db2.gz WCINOXSMLMVHLA-SSDOTTSWSA-N 0 0 166.211 2.583 10 0 AFAERN CCCC[C@]1(C)[C@@H](CO)C12C=CC=C2 238255369 572457542 /nfs/dbraw/zinc/45/75/42/572457542.db2.gz LVDTURSXRVBKLC-VXGBXAGGSA-N 0 0 192.302 2.917 10 0 AFAERN C[C@H](O)[C@@H](C)C/C=C/[Si](C)(C)C 308033029 572457323 /nfs/dbraw/zinc/45/73/23/572457323.db2.gz JNHIYAWWKUNJLC-OKJFYCPLSA-N 0 0 186.371 2.827 10 0 AFAERN CCCCCC(=O)C[C@H](O)CCC 90429574 572457546 /nfs/dbraw/zinc/45/75/46/572457546.db2.gz JLHYGVAOTFZPGL-SNVBAGLBSA-N 0 0 186.295 2.687 10 0 AFAERN CC(C)(C)[C@H](O)C[C@@]1(C)CC1(F)F 689643879 572457445 /nfs/dbraw/zinc/45/74/45/572457445.db2.gz BPCPSOWEYOCGOG-APPZFPTMSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@@H](CC(C)C)[C@@H](O)C1=COCC1 308032858 572457561 /nfs/dbraw/zinc/45/75/61/572457561.db2.gz PXLNFMWRAPSUFJ-CMPLNLGQSA-N 0 0 198.306 2.724 10 0 AFAERN CCc1nc2cc(N)c(F)cc2s1 74242161 572457576 /nfs/dbraw/zinc/45/75/76/572457576.db2.gz AMALYETYKYZRRS-UHFFFAOYSA-N 0 0 196.250 2.580 10 0 AFAERN C[C@H]1CCc2ccccc2[C@H](O)C1 61831976 572457587 /nfs/dbraw/zinc/45/75/87/572457587.db2.gz FBVLWCLLLWYOTR-JOYOIKCWSA-N 0 0 176.259 2.692 10 0 AFAERN Nc1ccc(SCCC2CC2)nc1 83926892 572460777 /nfs/dbraw/zinc/46/07/77/572460777.db2.gz XQEIECXJTIBAON-UHFFFAOYSA-N 0 0 194.303 2.556 10 0 AFAERN CCc1nc2c(C=O)c(C)oc2s1 74244557 572457650 /nfs/dbraw/zinc/45/76/50/572457650.db2.gz MPMSFWYNNIEKDU-UHFFFAOYSA-N 0 0 195.243 2.573 10 0 AFAERN C[C@@H]1CCc2ccccc2[C@H](O)C1 61831975 572457772 /nfs/dbraw/zinc/45/77/72/572457772.db2.gz FBVLWCLLLWYOTR-BXKDBHETSA-N 0 0 176.259 2.692 10 0 AFAERN CC(C)(C)[C@@]12CC(=O)CC[C@@H]1C2 196794928 572457786 /nfs/dbraw/zinc/45/77/86/572457786.db2.gz RDNWNJXDWBJKTH-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(C)(C)N[C@@H](C)C(F)(F)F 308033006 572457741 /nfs/dbraw/zinc/45/77/41/572457741.db2.gz JLGRFJXCYLGKMS-LURJTMIESA-N 0 0 183.217 2.715 10 0 AFAERN CCC(C)(C)C[C@]1(CO)C[C@H]1C 713251104 572457809 /nfs/dbraw/zinc/45/78/09/572457809.db2.gz VCAHZGGHVANLKS-KOLCDFICSA-N 0 0 170.296 2.831 10 0 AFAERN CCC(C)(C)C[C@@]1(CO)C[C@@H]1C 713251096 572457825 /nfs/dbraw/zinc/45/78/25/572457825.db2.gz VCAHZGGHVANLKS-GXSJLCMTSA-N 0 0 170.296 2.831 10 0 AFAERN CCCCCC[C@H](CCC)C(N)=O 90430952 572457928 /nfs/dbraw/zinc/45/79/28/572457928.db2.gz GDDJVAPPUNRHSX-JTQLQIEISA-N 0 0 185.311 2.858 10 0 AFAERN CSc1ccc([C@@H](O)C2CC2)cc1 196794729 572457971 /nfs/dbraw/zinc/45/79/71/572457971.db2.gz AMJVNKRYQAQIFF-NSHDSACASA-N 0 0 194.299 2.852 10 0 AFAERN Nc1ccc(F)cc1OCCC1CC1 83926053 572458112 /nfs/dbraw/zinc/45/81/12/572458112.db2.gz XBVDIHRIZWOFGC-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN CCC[C@@H](O)CCC=C1C=CC=C1 238255097 572458124 /nfs/dbraw/zinc/45/81/24/572458124.db2.gz RKBDZXQBGJOJIP-GFCCVEGCSA-N 0 0 178.275 2.980 10 0 AFAERN CC1=C[C@@H]2c3ccccc3C(=O)N2CC1 238255310 572458193 /nfs/dbraw/zinc/45/81/93/572458193.db2.gz ZOTGKFOMODLCCP-GFCCVEGCSA-N 0 0 199.253 2.534 10 0 AFAERN Clc1ccnc2c1[C@H]1C=C[C@@H]2C1 196795761 572458198 /nfs/dbraw/zinc/45/81/98/572458198.db2.gz GWTRVXCQCQQDKK-NKWVEPMBSA-N 0 0 177.634 2.876 10 0 AFAERN Cc1n[nH]c(C)c1NCCC(C)(C)C 61839163 572458298 /nfs/dbraw/zinc/45/82/98/572458298.db2.gz XCEWVQFOOWUULT-UHFFFAOYSA-N 0 0 195.310 2.875 10 0 AFAERN O=C(CCC1CC1)C1CCCC1 83935605 572459320 /nfs/dbraw/zinc/45/93/20/572459320.db2.gz KEUZLROYOSUTHB-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@H](CC(C)C)[C@@H](O)C1=COCC1 308032864 572458487 /nfs/dbraw/zinc/45/84/87/572458487.db2.gz PXLNFMWRAPSUFJ-ZYHUDNBSSA-N 0 0 198.306 2.724 10 0 AFAERN CCO[C@@H](CC)CCC[C@H](O)CC 238255656 572459329 /nfs/dbraw/zinc/45/93/29/572459329.db2.gz MJKOQAJKEQOXLO-MNOVXSKESA-N 0 0 188.311 2.743 10 0 AFAERN CC[C@H]1C(=O)C2C[C@H]3[C@@H](C2)C31CC 196795353 572458543 /nfs/dbraw/zinc/45/85/43/572458543.db2.gz XEWUEZNDGARIMC-AAEQOECDSA-N 0 0 178.275 2.648 10 0 AFAERN CCCC[C@H](C)OC(=O)C1CC1 308032543 572458553 /nfs/dbraw/zinc/45/85/53/572458553.db2.gz JJHKVCDUPZVYJL-QMMMGPOBSA-N 0 0 170.252 2.518 10 0 AFAERN C[C@@H]1CCc2ccccc2[C@@H](O)C1 61831977 572458623 /nfs/dbraw/zinc/45/86/23/572458623.db2.gz FBVLWCLLLWYOTR-SKDRFNHKSA-N 0 0 176.259 2.692 10 0 AFAERN Nc1ccccc1C(=O)CCC1CC1 83935893 572460801 /nfs/dbraw/zinc/46/08/01/572460801.db2.gz NTAPDHAYOZNUIY-UHFFFAOYSA-N 0 0 189.258 2.642 10 0 AFAERN CC(C)(C)[C@H](O)C[C@]1(C)CC1(F)F 689643883 572458681 /nfs/dbraw/zinc/45/86/81/572458681.db2.gz BPCPSOWEYOCGOG-VXNVDRBHSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)(C)[C@@H](O)C[C@]1(C)CC1(F)F 689643882 572458797 /nfs/dbraw/zinc/45/87/97/572458797.db2.gz BPCPSOWEYOCGOG-IONNQARKSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)(C)[C@]12CC(=O)CC[C@H]1C2 196794892 572458831 /nfs/dbraw/zinc/45/88/31/572458831.db2.gz RDNWNJXDWBJKTH-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN CCC[C@@H](Nc1ccccc1)C(C)=O 238251914 572458894 /nfs/dbraw/zinc/45/88/94/572458894.db2.gz KLAYXPVNRAMEEJ-GFCCVEGCSA-N 0 0 191.274 2.856 10 0 AFAERN Nc1ccc(SCCC2CC2)cn1 83926893 572458923 /nfs/dbraw/zinc/45/89/23/572458923.db2.gz VZNHBOGJTZIJDP-UHFFFAOYSA-N 0 0 194.303 2.556 10 0 AFAERN C/C(=C\C(C(C)C)C(C)C)CO 308029885 572460818 /nfs/dbraw/zinc/46/08/18/572460818.db2.gz ZAXDJLKWGUNYIL-UXBLZVDNSA-N 0 0 170.296 2.853 10 0 AFAERN CCCCCCC(=O)C=C(C)O 90430879 572459002 /nfs/dbraw/zinc/45/90/02/572459002.db2.gz WTVNFKVGGUWHQC-UHFFFAOYSA-N 0 0 170.252 2.505 10 0 AFAERN Cc1ccccc1-c1nccc(C)c1N 235927075 572459013 /nfs/dbraw/zinc/45/90/13/572459013.db2.gz HYBSMDGXBZBPHJ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Clc1ccc2c(n1)[C@@H]1C=C[C@H]2C1 196795657 572459019 /nfs/dbraw/zinc/45/90/19/572459019.db2.gz ZAQZIUXVBUILED-NKWVEPMBSA-N 0 0 177.634 2.876 10 0 AFAERN CCOC(=O)c1cc(CC)ccc1F 238255647 572459034 /nfs/dbraw/zinc/45/90/34/572459034.db2.gz QFUSIZMVMULKRG-UHFFFAOYSA-N 0 0 196.221 2.565 10 0 AFAERN CC[C@H](CC(C)C)[C@H](O)C1=COCC1 308032863 572459082 /nfs/dbraw/zinc/45/90/82/572459082.db2.gz PXLNFMWRAPSUFJ-PWSUYJOCSA-N 0 0 198.306 2.724 10 0 AFAERN CC[C@H](O)c1ccc(F)c(F)c1F 61838146 572459124 /nfs/dbraw/zinc/45/91/24/572459124.db2.gz ZJVOGTHCVOTEQA-ZETCQYMHSA-N 0 0 190.164 2.547 10 0 AFAERN Nc1cnccc1SCCC1CC1 83926890 572459130 /nfs/dbraw/zinc/45/91/30/572459130.db2.gz CHQROCXBVVQDDM-UHFFFAOYSA-N 0 0 194.303 2.556 10 0 AFAERN O=C(CCC1CC1)CC(F)(F)F 83935627 572459314 /nfs/dbraw/zinc/45/93/14/572459314.db2.gz ZTPLNTGXNBAAJS-UHFFFAOYSA-N 0 0 180.169 2.698 10 0 AFAERN CCO[C@@H](CC)CCC[C@@H](O)CC 238255648 572459203 /nfs/dbraw/zinc/45/92/03/572459203.db2.gz MJKOQAJKEQOXLO-QWRGUYRKSA-N 0 0 188.311 2.743 10 0 AFAERN CCCCCC(=O)C1(O)CCCCC1 90429540 572459236 /nfs/dbraw/zinc/45/92/36/572459236.db2.gz DLUCNRXMXAEYOG-UHFFFAOYSA-N 0 0 198.306 2.831 10 0 AFAERN O=C(CCC1CC1)Cc1ccccc1 83935506 572459242 /nfs/dbraw/zinc/45/92/42/572459242.db2.gz RXGZSCQXFMMFJG-UHFFFAOYSA-N 0 0 188.270 2.988 10 0 AFAERN CC(C)(C)OC(=O)C1=CCCCC1 196795533 572459269 /nfs/dbraw/zinc/45/92/69/572459269.db2.gz SMPGLESGZIIFRT-UHFFFAOYSA-N 0 0 182.263 2.829 10 0 AFAERN CSc1ccc([C@H](O)C2CC2)cc1 196794716 572459308 /nfs/dbraw/zinc/45/93/08/572459308.db2.gz AMJVNKRYQAQIFF-LLVKDONJSA-N 0 0 194.299 2.852 10 0 AFAERN CCCCC[C@@H](F)[C@@H](O)[C@@H](C)F 90428174 572459311 /nfs/dbraw/zinc/45/93/11/572459311.db2.gz XVRWWJNWARTZTL-HLTSFMKQSA-N 0 0 180.238 2.624 10 0 AFAERN CC(C)CC(=O)CCC1CC1 83935561 572459449 /nfs/dbraw/zinc/45/94/49/572459449.db2.gz YNMFMXBXFNFPMO-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@@H](CC[C@H](O)CCC)OC 238255560 572459487 /nfs/dbraw/zinc/45/94/87/572459487.db2.gz ZBTQBRBYCHCHIE-MNOVXSKESA-N 0 0 188.311 2.743 10 0 AFAERN Cc1c(N)sc2c1ncn2C(C)C 74243097 572459490 /nfs/dbraw/zinc/45/94/90/572459490.db2.gz NRYKXMJTSDIPNL-UHFFFAOYSA-N 0 0 195.291 2.569 10 0 AFAERN O=Cc1ccc(-c2cc(Cl)co2)[nH]1 74242952 572459510 /nfs/dbraw/zinc/45/95/10/572459510.db2.gz WRCPUMKKTHFXEQ-UHFFFAOYSA-N 0 0 195.605 2.741 10 0 AFAERN CCCC[C@]1(C)[C@H](CO)C12C=CC=C2 238255380 572459557 /nfs/dbraw/zinc/45/95/57/572459557.db2.gz LVDTURSXRVBKLC-NWDGAFQWSA-N 0 0 192.302 2.917 10 0 AFAERN O=Cc1cc(-c2cccs2)ns1 74244155 572459570 /nfs/dbraw/zinc/45/95/70/572459570.db2.gz UJYVLKSAIHVBMQ-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN Oc1ccc(OCCC2CC2)cc1 83934542 572459599 /nfs/dbraw/zinc/45/95/99/572459599.db2.gz RQCSRLWCHMECKM-UHFFFAOYSA-N 0 0 178.231 2.571 10 0 AFAERN CCSCCn1c(C)ccc1C 308028677 572459729 /nfs/dbraw/zinc/45/97/29/572459729.db2.gz ICSGAYIGXUOZKS-UHFFFAOYSA-N 0 0 183.320 2.858 10 0 AFAERN Cc1nc2c(N)scc2n1C(C)C 74243109 572459790 /nfs/dbraw/zinc/45/97/90/572459790.db2.gz ICQBRLOCFMSSCG-UHFFFAOYSA-N 0 0 195.291 2.569 10 0 AFAERN CC[C@@H](C)N(CCC(C)C)OC 308028573 572459794 /nfs/dbraw/zinc/45/97/94/572459794.db2.gz IBIDWKSHMKYMMO-SNVBAGLBSA-N 0 0 173.300 2.694 10 0 AFAERN CCO[C@@H](CC)Oc1ccccc1O 238255873 572459885 /nfs/dbraw/zinc/45/98/85/572459885.db2.gz MDTTWZZPXWCOLB-LLVKDONJSA-N 0 0 196.246 2.544 10 0 AFAERN CC[C@H](C)N(CCC(C)C)OC 308028564 572460013 /nfs/dbraw/zinc/46/00/13/572460013.db2.gz IBIDWKSHMKYMMO-JTQLQIEISA-N 0 0 173.300 2.694 10 0 AFAERN CC1(C)C/C1=C/Cl 238254802 572460273 /nfs/dbraw/zinc/46/02/73/572460273.db2.gz DANMFOQGKAYMGP-PLNGDYQASA-N 0 0 116.591 2.539 10 0 AFAERN CCC[C@@H](O)C1=CCC=CC=C1OC 238254181 572460079 /nfs/dbraw/zinc/46/00/79/572460079.db2.gz VZHZLVMHHMHBIH-LLVKDONJSA-N 0 0 194.274 2.564 10 0 AFAERN CC(=O)C[C@H](C)Cc1nc(C)cs1 87397489 572464576 /nfs/dbraw/zinc/46/45/76/572464576.db2.gz DVAXRYDPVLPDRT-ZETCQYMHSA-N 0 0 197.303 2.609 10 0 AFAERN C=C=C(CCC)[C@H](O)CCC 238253799 572460145 /nfs/dbraw/zinc/46/01/45/572460145.db2.gz LMULFZJAXWGJMA-SNVBAGLBSA-N 0 0 154.253 2.659 10 0 AFAERN Oc1cccc(OCCC2CC2)c1 83934548 572460198 /nfs/dbraw/zinc/46/01/98/572460198.db2.gz BZRFQLUEMNBFOP-UHFFFAOYSA-N 0 0 178.231 2.571 10 0 AFAERN CC[C@@H](C)C(=O)CCC1CC1 83935827 572460222 /nfs/dbraw/zinc/46/02/22/572460222.db2.gz DGKMMFLIJLMPEL-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1c(O)cccc1OCCC1CC1 83934540 572460351 /nfs/dbraw/zinc/46/03/51/572460351.db2.gz YWCAHDKANLTHSR-UHFFFAOYSA-N 0 0 192.258 2.880 10 0 AFAERN CCCC[C@]1(C(F)(F)F)CCCN1 238254600 572460461 /nfs/dbraw/zinc/46/04/61/572460461.db2.gz UPYKHRMIDVSADZ-MRVPVSSYSA-N 0 0 195.228 2.861 10 0 AFAERN CCC[C@@H](O)C/C=C/C(C)C 238253979 572460469 /nfs/dbraw/zinc/46/04/69/572460469.db2.gz QADFXAXQXPNDHN-BREXMAIKSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1cccc(C(=O)CCC2CC2)n1 83935820 572460511 /nfs/dbraw/zinc/46/05/11/572460511.db2.gz ULMSSRNEZCKGHJ-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN CN(CCC1CC1)c1cccc(N)c1 83926989 572460657 /nfs/dbraw/zinc/46/06/57/572460657.db2.gz DNMAHQKQFVJOLP-UHFFFAOYSA-N 0 0 190.290 2.505 10 0 AFAERN C=C=C([C@H](O)CCC)[Si](C)(C)C 238253396 572460747 /nfs/dbraw/zinc/46/07/47/572460747.db2.gz UPUTWIVRNQFHHP-SECBINFHSA-N 0 0 184.355 2.736 10 0 AFAERN CC[C@H]1CN(C)c2sc(C=O)cc21 74243276 572460749 /nfs/dbraw/zinc/46/07/49/572460749.db2.gz WAAWGDJOCCVUAH-ZETCQYMHSA-N 0 0 195.287 2.504 10 0 AFAERN CC(C)SCC(=O)CCC1CC1 83935915 572460751 /nfs/dbraw/zinc/46/07/51/572460751.db2.gz ZLVLEJCUTHCXOS-UHFFFAOYSA-N 0 0 186.320 2.887 10 0 AFAERN CCCC[C@@H](C)[C@@H](C)NC(=O)OC 238254509 572461040 /nfs/dbraw/zinc/46/10/40/572461040.db2.gz YMYWNFXDNKRYLI-RKDXNWHRSA-N 0 0 187.283 2.557 10 0 AFAERN O=Cc1sccc1-c1cscn1 74244153 572461161 /nfs/dbraw/zinc/46/11/61/572461161.db2.gz SYZRJPZRLJBMRX-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN Nc1ncc(Cl)c2sccc12 44628710 572461186 /nfs/dbraw/zinc/46/11/86/572461186.db2.gz DWRQGAFGEAHGJN-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN Cc1sc2c(ncn2C(C)C)c1N 74243107 572462291 /nfs/dbraw/zinc/46/22/91/572462291.db2.gz HWZGALSGXLCPOQ-UHFFFAOYSA-N 0 0 195.291 2.569 10 0 AFAERN Cc1cccnc1C(=O)CCC1CC1 83935673 572461635 /nfs/dbraw/zinc/46/16/35/572461635.db2.gz XIAOQWSDOKBWOG-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN CCCCC[C@@H](O)c1ccnn1CC 69023704 572461724 /nfs/dbraw/zinc/46/17/24/572461724.db2.gz FUAACLTXHXMMCJ-LLVKDONJSA-N 0 0 196.294 2.517 10 0 AFAERN CCCOc1[nH]cc(C)c1CC 238254670 572461947 /nfs/dbraw/zinc/46/19/47/572461947.db2.gz DSKKVFBPIMQCPP-UHFFFAOYSA-N 0 0 167.252 2.674 10 0 AFAERN CCCC[C@@H](C)[C@H](C)NC(=O)OC 238254831 572461976 /nfs/dbraw/zinc/46/19/76/572461976.db2.gz YMYWNFXDNKRYLI-BDAKNGLRSA-N 0 0 187.283 2.557 10 0 AFAERN Oc1ccccc1OCCC1CC1 83934545 572462026 /nfs/dbraw/zinc/46/20/26/572462026.db2.gz DVAMAANGHAATOB-UHFFFAOYSA-N 0 0 178.231 2.571 10 0 AFAERN Cc1ccnc(C(=O)CCC2CC2)c1 83935835 572462196 /nfs/dbraw/zinc/46/21/96/572462196.db2.gz MPFACGUYNAZOGM-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN CC=C=C(SCC)[C@H](O)CCC 238253871 572462197 /nfs/dbraw/zinc/46/21/97/572462197.db2.gz BRIXJOYPPCZYPA-YGPZHTELSA-N 0 0 186.320 2.959 10 0 AFAERN CCCC[C@@H](C)[C@@H](C)C(=S)NC 238254473 572462207 /nfs/dbraw/zinc/46/22/07/572462207.db2.gz SLDQTUQLRCJBOH-RKDXNWHRSA-N 0 0 187.352 2.996 10 0 AFAERN CN(CCC1CC1)c1ccccc1N 83926991 572462229 /nfs/dbraw/zinc/46/22/29/572462229.db2.gz ZBLQTPBUFVUFTN-UHFFFAOYSA-N 0 0 190.290 2.505 10 0 AFAERN CCCC[C@@H](C)[C@H](C)C(=S)NC 238254794 572462330 /nfs/dbraw/zinc/46/23/30/572462330.db2.gz SLDQTUQLRCJBOH-BDAKNGLRSA-N 0 0 187.352 2.996 10 0 AFAERN CC[C@H](C)C(=O)CCC1CC1 83935831 572462466 /nfs/dbraw/zinc/46/24/66/572462466.db2.gz DGKMMFLIJLMPEL-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1nc2cc(C=O)sc2s1 74239385 572463243 /nfs/dbraw/zinc/46/32/43/572463243.db2.gz OSYOPKMGMMUNCB-UHFFFAOYSA-N 0 0 197.284 2.733 10 0 AFAERN O=Cc1sccc1-c1ccns1 74244146 572462781 /nfs/dbraw/zinc/46/27/81/572462781.db2.gz KMQSWIUWGPGMRB-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN CCC(C)(C)C(=O)Cc1ccncc1 83950247 572463319 /nfs/dbraw/zinc/46/33/19/572463319.db2.gz UXHXVSDMRFNYGA-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN CCCn1ccnc1C(=O)[C@H](C)CC 69032371 572463381 /nfs/dbraw/zinc/46/33/81/572463381.db2.gz HRQCMDJUOPYHOA-SECBINFHSA-N 0 0 194.278 2.522 10 0 AFAERN CC[C@@H](O)CCCc1nc(C)cs1 87397783 572463411 /nfs/dbraw/zinc/46/34/11/572463411.db2.gz YAALKRNYLMQBPU-SECBINFHSA-N 0 0 199.319 2.545 10 0 AFAERN CCOc1ccc(N[C@@H](C)CC)cn1 87399183 572463427 /nfs/dbraw/zinc/46/34/27/572463427.db2.gz ZADWVMBBONVFSM-VIFPVBQESA-N 0 0 194.278 2.691 10 0 AFAERN CCCCNc1ccc(OCC)nc1 87399144 572463525 /nfs/dbraw/zinc/46/35/25/572463525.db2.gz YAJGFFPCYCEWRM-UHFFFAOYSA-N 0 0 194.278 2.692 10 0 AFAERN CCC(=O)CCCc1nc(C)cs1 87397471 572463551 /nfs/dbraw/zinc/46/35/51/572463551.db2.gz GZFZFVKMOOZOKQ-UHFFFAOYSA-N 0 0 197.303 2.753 10 0 AFAERN CCOc1ccccc1OC1CC1 238256396 572463610 /nfs/dbraw/zinc/46/36/10/572463610.db2.gz VKTAKNJQNWGSQN-UHFFFAOYSA-N 0 0 178.231 2.627 10 0 AFAERN CC(C)CCC(=O)C(F)(F)F 61893711 572463617 /nfs/dbraw/zinc/46/36/17/572463617.db2.gz GBNYROGRKFWPMC-UHFFFAOYSA-N 0 0 168.158 2.554 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](CC(C)(C)C)NN)C1 713254181 572468057 /nfs/dbraw/zinc/46/80/57/572468057.db2.gz FHWRVEAXNQFJLW-MXWKQRLJSA-N 0 0 198.354 2.691 10 0 AFAERN O=C(CC1CCCC1)C(F)(F)F 61893735 572463766 /nfs/dbraw/zinc/46/37/66/572463766.db2.gz HPNGPEPSWVWEFC-UHFFFAOYSA-N 0 0 180.169 2.698 10 0 AFAERN CC(=O)C[C@@H](C)Cc1nc(C)cs1 87397490 572463827 /nfs/dbraw/zinc/46/38/27/572463827.db2.gz DVAXRYDPVLPDRT-SSDOTTSWSA-N 0 0 197.303 2.609 10 0 AFAERN CC[C@@H](C)CC(=O)C(F)(F)F 61893730 572464116 /nfs/dbraw/zinc/46/41/16/572464116.db2.gz WASWNBRSUZPHJL-RXMQYKEDSA-N 0 0 168.158 2.554 10 0 AFAERN C[C@@H]1CC[C@]1(O)C[C@@]1(C)CC1(F)F 689645442 572464231 /nfs/dbraw/zinc/46/42/31/572464231.db2.gz JJRQVSYCXNIUER-VGMNWLOBSA-N 0 0 190.233 2.583 10 0 AFAERN CCC[C@@H](O)CCC(C)(F)F 238255049 572464277 /nfs/dbraw/zinc/46/42/77/572464277.db2.gz ASWFOWGTNWHTEG-SSDOTTSWSA-N 0 0 166.211 2.583 10 0 AFAERN O[C@@H](CC1CCCCC1)C(F)(F)F 61893822 572464294 /nfs/dbraw/zinc/46/42/94/572464294.db2.gz RMHXCCFQIOVNCF-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN C[C@@H]1CC[C@@]1(O)C[C@]1(C)CC1(F)F 689645441 572464483 /nfs/dbraw/zinc/46/44/83/572464483.db2.gz JJRQVSYCXNIUER-IWSPIJDZSA-N 0 0 190.233 2.583 10 0 AFAERN CCC[C@@H](O)CCC(C)(C)Cl 238255033 572464564 /nfs/dbraw/zinc/46/45/64/572464564.db2.gz KUYGAWFBRBYQLF-MRVPVSSYSA-N 0 0 178.703 2.945 10 0 AFAERN CCC[C@@H](C)OCC[C@H](C)CCO 238257464 572464570 /nfs/dbraw/zinc/46/45/70/572464570.db2.gz AQOGUXVXRZCIKD-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CCC(CC)C(=O)Cc1ccncc1 83950223 572464632 /nfs/dbraw/zinc/46/46/32/572464632.db2.gz ZISJUTQYMFFWBG-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN CC[C@H](C)CC(=O)C(F)(F)F 61893731 572464659 /nfs/dbraw/zinc/46/46/59/572464659.db2.gz WASWNBRSUZPHJL-YFKPBYRVSA-N 0 0 168.158 2.554 10 0 AFAERN CC(C)(C)CC(=O)Cc1ccncc1 83950217 572464756 /nfs/dbraw/zinc/46/47/56/572464756.db2.gz JCRVIJOCCJJQHL-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN CCC[C@@H](C)C(=O)Cc1ccncc1 83950224 572464827 /nfs/dbraw/zinc/46/48/27/572464827.db2.gz BFMIUBNROPFENH-SNVBAGLBSA-N 0 0 191.274 2.629 10 0 AFAERN C[C@@H]1CC[C@]1(O)C[C@]1(C)CC1(F)F 689645439 572464903 /nfs/dbraw/zinc/46/49/03/572464903.db2.gz JJRQVSYCXNIUER-HLTSFMKQSA-N 0 0 190.233 2.583 10 0 AFAERN CC[C@H](O)CCCc1nc(C)cs1 87397782 572464932 /nfs/dbraw/zinc/46/49/32/572464932.db2.gz YAALKRNYLMQBPU-VIFPVBQESA-N 0 0 199.319 2.545 10 0 AFAERN Cc1nc2c(C=O)c(C)sc2s1 74239383 572465124 /nfs/dbraw/zinc/46/51/24/572465124.db2.gz XYBVEXYSQPMOEJ-UHFFFAOYSA-N 0 0 197.284 2.787 10 0 AFAERN CCC[C@H](C)C(=O)Cc1ccncc1 83950225 572465254 /nfs/dbraw/zinc/46/52/54/572465254.db2.gz BFMIUBNROPFENH-JTQLQIEISA-N 0 0 191.274 2.629 10 0 AFAERN CCC[C@@H](C)OCC[C@@H](C)CCO 238257452 572465323 /nfs/dbraw/zinc/46/53/23/572465323.db2.gz AQOGUXVXRZCIKD-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCOc1ccc(N[C@H](C)CC)cn1 87399182 572465648 /nfs/dbraw/zinc/46/56/48/572465648.db2.gz ZADWVMBBONVFSM-SECBINFHSA-N 0 0 194.278 2.691 10 0 AFAERN C[C@@H]1CC[C@@]1(O)C[C@@]1(C)CC1(F)F 689645440 572465877 /nfs/dbraw/zinc/46/58/77/572465877.db2.gz JJRQVSYCXNIUER-HRDYMLBCSA-N 0 0 190.233 2.583 10 0 AFAERN CCc1nc2c(C=O)scc2s1 74239384 572466070 /nfs/dbraw/zinc/46/60/70/572466070.db2.gz SSIHIACIKFIDMJ-UHFFFAOYSA-N 0 0 197.284 2.733 10 0 AFAERN Cc1ccc(N)cc1Cc1ccncc1 83951191 572468144 /nfs/dbraw/zinc/46/81/44/572468144.db2.gz RKHSRLXKWHNENT-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CCOc1ccc(NCC(C)C)cn1 87399106 572466136 /nfs/dbraw/zinc/46/61/36/572466136.db2.gz NDIDRMIMKIBWRC-UHFFFAOYSA-N 0 0 194.278 2.548 10 0 AFAERN Cc1ccc(N)cc1Cc1ccccn1 83951147 572468148 /nfs/dbraw/zinc/46/81/48/572468148.db2.gz WDFLRIZAISVXIF-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CCO[C@H](/C=C/C[C@H](O)CC)CC 238256118 572466329 /nfs/dbraw/zinc/46/63/29/572466329.db2.gz CMWNYULYQMPVNX-HDNGXNTCSA-N 0 0 186.295 2.519 10 0 AFAERN CC(=O)CCCc1nc(C)c(C)s1 87397468 572466424 /nfs/dbraw/zinc/46/64/24/572466424.db2.gz YDAUPELIDMOJRJ-UHFFFAOYSA-N 0 0 197.303 2.672 10 0 AFAERN CCC[C@@](C)(C=C(C)C)OCCO 238257472 572466466 /nfs/dbraw/zinc/46/64/66/572466466.db2.gz IEIKODHEYRSKNA-NSHDSACASA-N 0 0 186.295 2.520 10 0 AFAERN CCC[C@@H](O)CCCc1ccccn1 83952257 572466724 /nfs/dbraw/zinc/46/67/24/572466724.db2.gz YAPATLCTTAMNGO-GFCCVEGCSA-N 0 0 193.290 2.565 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](CC(C)(C)C)NN)C1 713254201 572466735 /nfs/dbraw/zinc/46/67/35/572466735.db2.gz FHWRVEAXNQFJLW-VWYCJHECSA-N 0 0 198.354 2.691 10 0 AFAERN Cc1ccoc1[C@@H](CC(C)(C)C)NN 713253881 572466747 /nfs/dbraw/zinc/46/67/47/572466747.db2.gz DMRMMDRJLRQYNM-SECBINFHSA-N 0 0 196.294 2.529 10 0 AFAERN CC(=O)CC(C)(C)Cc1ccncc1 83951935 572466861 /nfs/dbraw/zinc/46/68/61/572466861.db2.gz GBKBNNJINSCUGQ-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN C[C@@H]1CC[C@@H]([C@@H](CC(C)(C)C)NN)C1 713254144 572466866 /nfs/dbraw/zinc/46/68/66/572466866.db2.gz FHWRVEAXNQFJLW-GMTAPVOTSA-N 0 0 198.354 2.691 10 0 AFAERN CCC[C@H](O)CCCc1ccccn1 83952256 572467092 /nfs/dbraw/zinc/46/70/92/572467092.db2.gz YAPATLCTTAMNGO-LBPRGKRZSA-N 0 0 193.290 2.565 10 0 AFAERN CCCC(=O)CCCc1ccccn1 83951910 572467183 /nfs/dbraw/zinc/46/71/83/572467183.db2.gz BIKZEDUJPYRXQI-UHFFFAOYSA-N 0 0 191.274 2.774 10 0 AFAERN CCC[C@@H](O)CCCc1ccncc1 83952259 572467229 /nfs/dbraw/zinc/46/72/29/572467229.db2.gz GKKJEBPAZKHBQV-GFCCVEGCSA-N 0 0 193.290 2.565 10 0 AFAERN CC(C)C(=O)CCCc1ccncc1 83951913 572467252 /nfs/dbraw/zinc/46/72/52/572467252.db2.gz YZQNHRZTJNQSEF-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN Cc1ccoc1[C@H](CC(C)(C)C)NN 713253882 572467315 /nfs/dbraw/zinc/46/73/15/572467315.db2.gz DMRMMDRJLRQYNM-VIFPVBQESA-N 0 0 196.294 2.529 10 0 AFAERN CCCC[C@H](C=C=CCO)CC 238257755 572467430 /nfs/dbraw/zinc/46/74/30/572467430.db2.gz NZDCVEBGCMNUQS-MGAKOFKPSA-N 0 0 168.280 2.906 10 0 AFAERN Cc1ccc(N)c(Cc2ccncc2)c1 83951207 572467446 /nfs/dbraw/zinc/46/74/46/572467446.db2.gz DFDOKILHWLWWMN-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Cc1cc(N)ccc1Cc1ccncc1 83951183 572467472 /nfs/dbraw/zinc/46/74/72/572467472.db2.gz GLYSAYNZSBMBKM-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CCCC(=O)CCCc1ccncc1 83951911 572467483 /nfs/dbraw/zinc/46/74/83/572467483.db2.gz CVNLAWOBQVNHCN-UHFFFAOYSA-N 0 0 191.274 2.774 10 0 AFAERN CC(=O)CC(C)(C)Cc1ccccn1 83951934 572467541 /nfs/dbraw/zinc/46/75/41/572467541.db2.gz PSRZAKCTRUWJRL-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN C[C@@H]1CC[C@H]([C@@H](CC(C)(C)C)NN)C1 713254191 572467590 /nfs/dbraw/zinc/46/75/90/572467590.db2.gz FHWRVEAXNQFJLW-OUAUKWLOSA-N 0 0 198.354 2.691 10 0 AFAERN Cc1ccc(Cc2ccncc2)cc1N 83951201 572467631 /nfs/dbraw/zinc/46/76/31/572467631.db2.gz HNEHZSSQVAAUIP-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Cc1ccc(N)c(Cc2ccccn2)c1 83951170 572467688 /nfs/dbraw/zinc/46/76/88/572467688.db2.gz IVQRSWULZKSBEO-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Cc1cc(N)ccc1Cc1ccccn1 83951139 572467732 /nfs/dbraw/zinc/46/77/32/572467732.db2.gz HITQINRJGPCGLF-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Nc1c[nH]c(-c2ccc3[nH]ccc3c2)c1 74239899 572467771 /nfs/dbraw/zinc/46/77/71/572467771.db2.gz UIXQKMHPNQOOQZ-UHFFFAOYSA-N 0 0 197.241 2.745 10 0 AFAERN Cc1cc(Cc2ccncc2)ccc1N 83951184 572467816 /nfs/dbraw/zinc/46/78/16/572467816.db2.gz ACPCNFCZRLXUHX-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN CCC[C@@H](C)[C@@H](C)NC(=O)OCC 238257754 572467953 /nfs/dbraw/zinc/46/79/53/572467953.db2.gz BQIIAWFECFXBJJ-RKDXNWHRSA-N 0 0 187.283 2.557 10 0 AFAERN CCC[C@H](O)CCCc1ccncc1 83952258 572467984 /nfs/dbraw/zinc/46/79/84/572467984.db2.gz GKKJEBPAZKHBQV-LBPRGKRZSA-N 0 0 193.290 2.565 10 0 AFAERN Nc1cnoc1-c1ccc(Cl)cc1 74245611 572467995 /nfs/dbraw/zinc/46/79/95/572467995.db2.gz MAGJVIHCUWDYIK-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Nc1c[nH]c(-c2cccc3[nH]ccc23)c1 74239897 572467997 /nfs/dbraw/zinc/46/79/97/572467997.db2.gz DPECWPQBQPUEMA-UHFFFAOYSA-N 0 0 197.241 2.745 10 0 AFAERN CC(C)C(=O)CCCc1ccccn1 83951912 572468067 /nfs/dbraw/zinc/46/80/67/572468067.db2.gz YZNYJDBBGIMAGJ-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN CCCCCC(C)(C)CNC#N 87399441 572468218 /nfs/dbraw/zinc/46/82/18/572468218.db2.gz ZOIXVEYUDKHHIF-UHFFFAOYSA-N 0 0 168.284 2.664 10 0 AFAERN CCCOc1cc(O)ccc1CC 238257882 572468279 /nfs/dbraw/zinc/46/82/79/572468279.db2.gz JWWFQTRPNNYFKU-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN CCC[C@@H](C)[C@@H](CC)C(=O)NCC 238257911 572468346 /nfs/dbraw/zinc/46/83/46/572468346.db2.gz FYKBJRPTJQDORG-NXEZZACHSA-N 0 0 185.311 2.585 10 0 AFAERN CC/C(=C\C(=O)OC)c1cccs1 308036230 572468597 /nfs/dbraw/zinc/46/85/97/572468597.db2.gz UEVQNTOUKWQJQO-BQYQJAHWSA-N 0 0 196.271 2.715 10 0 AFAERN CCCSc1cc(C(C)=O)ccn1 87400603 572468706 /nfs/dbraw/zinc/46/87/06/572468706.db2.gz WKLUHAGAHUKZAY-UHFFFAOYSA-N 0 0 195.287 2.786 10 0 AFAERN Nc1cc[nH]c1-c1cccc2cc[nH]c12 74239894 572468876 /nfs/dbraw/zinc/46/88/76/572468876.db2.gz YEZQCZAJKNVNOS-UHFFFAOYSA-N 0 0 197.241 2.745 10 0 AFAERN COCc1ccccc1[C@@H](O)C(C)C 83969169 572468889 /nfs/dbraw/zinc/46/88/89/572468889.db2.gz FBVPHZCMFDIOCS-LBPRGKRZSA-N 0 0 194.274 2.522 10 0 AFAERN COCc1ccc([C@@H](O)C(C)C)cc1 83969683 572469121 /nfs/dbraw/zinc/46/91/21/572469121.db2.gz ZTLHKXGWIZWLQJ-LBPRGKRZSA-N 0 0 194.274 2.522 10 0 AFAERN COCc1cccc([C@H](O)C(C)C)c1 83968722 572469559 /nfs/dbraw/zinc/46/95/59/572469559.db2.gz PHWACJTYTBRTBI-GFCCVEGCSA-N 0 0 194.274 2.522 10 0 AFAERN COCc1ccc([C@H](O)C(C)C)cc1 83969686 572469577 /nfs/dbraw/zinc/46/95/77/572469577.db2.gz ZTLHKXGWIZWLQJ-GFCCVEGCSA-N 0 0 194.274 2.522 10 0 AFAERN CCC[C@H](O)c1cccc(COC)c1 83968731 572469587 /nfs/dbraw/zinc/46/95/87/572469587.db2.gz DDZDEEYGSFUNSD-LBPRGKRZSA-N 0 0 194.274 2.667 10 0 AFAERN CCC[C@H](C)[C@@H](C)NC(=O)OCC 238257507 572469896 /nfs/dbraw/zinc/46/98/96/572469896.db2.gz BQIIAWFECFXBJJ-DTWKUNHWSA-N 0 0 187.283 2.557 10 0 AFAERN CCC[C@H](C)[C@H](C(N)=O)C1CCCC1 238257555 572469997 /nfs/dbraw/zinc/46/99/97/572469997.db2.gz VNVBGCLRXNPOFW-ONGXEEELSA-N 0 0 197.322 2.714 10 0 AFAERN Nc1cc[nH]c1-c1c[nH]c2ccccc12 74239893 572470060 /nfs/dbraw/zinc/47/00/60/572470060.db2.gz NINASKJKAFYYRH-UHFFFAOYSA-N 0 0 197.241 2.745 10 0 AFAERN CCC[C@@H](O)c1cccc(COC)c1 83968732 572470126 /nfs/dbraw/zinc/47/01/26/572470126.db2.gz DDZDEEYGSFUNSD-GFCCVEGCSA-N 0 0 194.274 2.667 10 0 AFAERN CC[C@H](CC(C)C)[C@@H](O)C1CC1 308039801 572470133 /nfs/dbraw/zinc/47/01/33/572470133.db2.gz ZVOKTXABNNQHRR-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)(C)CC(=O)C[C@@H]1CCCOC1 689647055 572470201 /nfs/dbraw/zinc/47/02/01/572470201.db2.gz AKQQXVQUUALZQR-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN Nc1c[nH]c(-c2ccc3cc[nH]c3c2)c1 74239901 572470242 /nfs/dbraw/zinc/47/02/42/572470242.db2.gz JTPSTIGIKUURGI-UHFFFAOYSA-N 0 0 197.241 2.745 10 0 AFAERN CCCn1c(C)c(C)[nH]c1=S 34075792 572470349 /nfs/dbraw/zinc/47/03/49/572470349.db2.gz KIFVHEIDVMJIJY-UHFFFAOYSA-N 0 0 170.281 2.573 10 0 AFAERN CCC[C@H](O)c1ccccc1COC 83969179 572470563 /nfs/dbraw/zinc/47/05/63/572470563.db2.gz LAGJPBKMAFQEEK-LBPRGKRZSA-N 0 0 194.274 2.667 10 0 AFAERN CCC[C@@H](O)c1ccccc1COC 83969180 572470567 /nfs/dbraw/zinc/47/05/67/572470567.db2.gz LAGJPBKMAFQEEK-GFCCVEGCSA-N 0 0 194.274 2.667 10 0 AFAERN CC[C@@H](CC(C)C)[C@@H](O)C1CC1 308039799 572470741 /nfs/dbraw/zinc/47/07/41/572470741.db2.gz ZVOKTXABNNQHRR-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN NC(=O)SC/C=C\c1ccccc1 308038087 572470963 /nfs/dbraw/zinc/47/09/63/572470963.db2.gz YSMRUDVLSJXNBC-DAXSKMNVSA-N 0 0 193.271 2.512 10 0 AFAERN CCC[C@H](C)[C@@H](CC)C(=O)NCC 238257686 572471044 /nfs/dbraw/zinc/47/10/44/572471044.db2.gz FYKBJRPTJQDORG-VHSXEESVSA-N 0 0 185.311 2.585 10 0 AFAERN COCc1ccccc1[C@H](O)C(C)C 83969170 572471228 /nfs/dbraw/zinc/47/12/28/572471228.db2.gz FBVPHZCMFDIOCS-GFCCVEGCSA-N 0 0 194.274 2.522 10 0 AFAERN CCC[C@@H](C)[C@H](C(N)=O)C1CCCC1 238257789 572471367 /nfs/dbraw/zinc/47/13/67/572471367.db2.gz VNVBGCLRXNPOFW-KOLCDFICSA-N 0 0 197.322 2.714 10 0 AFAERN CC[C@@H](C)/C(F)=C(\F)CCCO 238258456 572471573 /nfs/dbraw/zinc/47/15/73/572471573.db2.gz SKQKZAJATUYEQE-BDGYDECCSA-N 0 0 178.222 2.956 10 0 AFAERN C/C=C\COc1ccc(N)cc1C 308039390 572471841 /nfs/dbraw/zinc/47/18/41/572471841.db2.gz ZAYLFEHKLJQFRM-ARJAWSKDSA-N 0 0 177.247 2.532 10 0 AFAERN CC[C@H](CC(C)C)[C@H](O)C1CC1 308039800 572471896 /nfs/dbraw/zinc/47/18/96/572471896.db2.gz ZVOKTXABNNQHRR-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CS[C@H]1CCC[C@H]1n1cccc1 235074809 572472169 /nfs/dbraw/zinc/47/21/69/572472169.db2.gz OWLDMDMTEFWAAO-ZJUUUORDSA-N 0 0 181.304 2.945 10 0 AFAERN CCC[C@@H](C)[C@@H](C(N)=O)C1CCCC1 238259163 572472211 /nfs/dbraw/zinc/47/22/11/572472211.db2.gz VNVBGCLRXNPOFW-MWLCHTKSSA-N 0 0 197.322 2.714 10 0 AFAERN CCCN(C)c1ncc(CC)s1 308039921 572472259 /nfs/dbraw/zinc/47/22/59/572472259.db2.gz MVCHGCGMAVFCJP-UHFFFAOYSA-N 0 0 184.308 2.552 10 0 AFAERN CSC[C@H](O)C1=CCCCCC1 235074954 572472293 /nfs/dbraw/zinc/47/22/93/572472293.db2.gz BPTQSTPZSUOZPW-JTQLQIEISA-N 0 0 186.320 2.601 10 0 AFAERN CCC[C@H](Nc1ccccc1)[C@@H](C)O 238259026 572472319 /nfs/dbraw/zinc/47/23/19/572472319.db2.gz HRVYGWQSYBWVBF-PWSUYJOCSA-N 0 0 193.290 2.648 10 0 AFAERN CCC[C@H](Nc1ccccc1)[C@H](C)O 238259033 572472652 /nfs/dbraw/zinc/47/26/52/572472652.db2.gz HRVYGWQSYBWVBF-JQWIXIFHSA-N 0 0 193.290 2.648 10 0 AFAERN CC[C@@H](CC(C)C)[C@H](O)C1CC1 308039803 572472681 /nfs/dbraw/zinc/47/26/81/572472681.db2.gz ZVOKTXABNNQHRR-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@H](O)/C(C)=C/c1ccco1 238260097 572472745 /nfs/dbraw/zinc/47/27/45/572472745.db2.gz ZXQCRLGHJJZWCR-FBOQAHMBSA-N 0 0 180.247 2.844 10 0 AFAERN CC(C)CCOc1ccccn1 197471505 572472765 /nfs/dbraw/zinc/47/27/65/572472765.db2.gz XKOISIMRVIDTSR-UHFFFAOYSA-N 0 0 165.236 2.507 10 0 AFAERN CC[C@H](C)N(OC)C1CCCC1 308039063 572472820 /nfs/dbraw/zinc/47/28/20/572472820.db2.gz MHOGEINVDHTCSJ-VIFPVBQESA-N 0 0 171.284 2.591 10 0 AFAERN CCC[C@H](C)[C@H](C)NC(=O)OCC 238259050 572472878 /nfs/dbraw/zinc/47/28/78/572472878.db2.gz BQIIAWFECFXBJJ-IUCAKERBSA-N 0 0 187.283 2.557 10 0 AFAERN CC(C)(C)CC(=O)C[C@H]1CCCOC1 689647066 572473433 /nfs/dbraw/zinc/47/34/33/572473433.db2.gz AKQQXVQUUALZQR-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN CCCCc1[nH]c(=O)oc1CCCC 238260285 572473508 /nfs/dbraw/zinc/47/35/08/572473508.db2.gz ZAKMDBVIEHWQTL-UHFFFAOYSA-N 0 0 197.278 2.653 10 0 AFAERN CCC[C@@H](C)[C@H](C)NC(=O)OCC 238259132 572473517 /nfs/dbraw/zinc/47/35/17/572473517.db2.gz BQIIAWFECFXBJJ-BDAKNGLRSA-N 0 0 187.283 2.557 10 0 AFAERN CCC[C@H](Nc1ccccc1)C(C)=O 238259012 572473556 /nfs/dbraw/zinc/47/35/56/572473556.db2.gz KLAYXPVNRAMEEJ-LBPRGKRZSA-N 0 0 191.274 2.856 10 0 AFAERN Cc1cc2nc(C=O)sc2cc1F 74245274 572473564 /nfs/dbraw/zinc/47/35/64/572473564.db2.gz ABBOTMQJKBJNGY-UHFFFAOYSA-N 0 0 195.218 2.556 10 0 AFAERN CC[C@@H](CCC(N)=O)C1CCCCC1 238260760 572473626 /nfs/dbraw/zinc/47/36/26/572473626.db2.gz NEDILSDEPFLKDW-JTQLQIEISA-N 0 0 197.322 2.858 10 0 AFAERN Cc1nc([C@H](C)N)oc1C1CCCC1 74246135 572473839 /nfs/dbraw/zinc/47/38/39/572473839.db2.gz SSRQKVNGBQYFBQ-ZETCQYMHSA-N 0 0 194.278 2.660 10 0 AFAERN CCC[C@@H](O)[C@H](C)Cc1ccco1 238259131 572473841 /nfs/dbraw/zinc/47/38/41/572473841.db2.gz CZRFUJUOJIGLCZ-MWLCHTKSSA-N 0 0 182.263 2.619 10 0 AFAERN Cc1ccc(N)c([C@H]2C=CCC2)c1N 34222381 572473970 /nfs/dbraw/zinc/47/39/70/572473970.db2.gz FBZATEAKZRBEQC-VIFPVBQESA-N 0 0 188.274 2.593 10 0 AFAERN C=C=C(CCC)[C@@H](O)CCC 238260730 572474000 /nfs/dbraw/zinc/47/40/00/572474000.db2.gz LMULFZJAXWGJMA-JTQLQIEISA-N 0 0 154.253 2.659 10 0 AFAERN CCC[C@@H](C)[C@H](CC)C(=O)NCC 238259279 572474085 /nfs/dbraw/zinc/47/40/85/572474085.db2.gz FYKBJRPTJQDORG-ZJUUUORDSA-N 0 0 185.311 2.585 10 0 AFAERN CCC[C@H](C)[C@H](CC)C(=O)NCC 238259196 572474104 /nfs/dbraw/zinc/47/41/04/572474104.db2.gz FYKBJRPTJQDORG-UWVGGRQHSA-N 0 0 185.311 2.585 10 0 AFAERN CCC[C@H](C)[C@@H](C(N)=O)C1CCCC1 238259099 572474252 /nfs/dbraw/zinc/47/42/52/572474252.db2.gz VNVBGCLRXNPOFW-GXSJLCMTSA-N 0 0 197.322 2.714 10 0 AFAERN C=C=C([C@@H](O)CCC)[Si](C)(C)C 238260395 572474380 /nfs/dbraw/zinc/47/43/80/572474380.db2.gz UPUTWIVRNQFHHP-VIFPVBQESA-N 0 0 184.355 2.736 10 0 AFAERN CC[C@@H](C)OCc1ccccc1O 238260383 572474462 /nfs/dbraw/zinc/47/44/62/572474462.db2.gz ZOZZIEUUTGGJDX-SECBINFHSA-N 0 0 180.247 2.707 10 0 AFAERN CCC[C@@H](O)[C@H](C)Nc1ccccc1 238259144 572474886 /nfs/dbraw/zinc/47/48/86/572474886.db2.gz LXCVDZJGNTYBCR-CMPLNLGQSA-N 0 0 193.290 2.648 10 0 AFAERN CC(F)(F)CCC(=O)c1cc[nH]c1 713957314 572474962 /nfs/dbraw/zinc/47/49/62/572474962.db2.gz ZRKRRLIBSHILEG-UHFFFAOYSA-N 0 0 187.189 2.633 10 0 AFAERN Cc1ccc(N)c([C@@H]2C=CCC2)c1N 34222382 572475213 /nfs/dbraw/zinc/47/52/13/572475213.db2.gz FBZATEAKZRBEQC-SECBINFHSA-N 0 0 188.274 2.593 10 0 AFAERN O[C@@H](Cc1ccccc1F)C1CCC1 62141733 572478477 /nfs/dbraw/zinc/47/84/77/572478477.db2.gz TYOATBSDBGRZJR-LBPRGKRZSA-N 0 0 194.249 2.529 10 0 AFAERN CCC[C@H](O)C/C=C/C(C)C 238260870 572475348 /nfs/dbraw/zinc/47/53/48/572475348.db2.gz QADFXAXQXPNDHN-STUBTGCMSA-N 0 0 156.269 2.750 10 0 AFAERN COC[C@@H](C)CCNc1ccccc1 87421315 572475448 /nfs/dbraw/zinc/47/54/48/572475448.db2.gz DQSAKOJIPGKGTA-NSHDSACASA-N 0 0 193.290 2.771 10 0 AFAERN CCCCc1c(C=O)cccc1C=O 238260918 572475457 /nfs/dbraw/zinc/47/54/57/572475457.db2.gz AMXABJXEOLOFPE-UHFFFAOYSA-N 0 0 190.242 2.654 10 0 AFAERN CCCCc1c(OC)noc1CC 238260986 572475478 /nfs/dbraw/zinc/47/54/78/572475478.db2.gz XQDLJRCQSCLOLY-UHFFFAOYSA-N 0 0 183.251 2.588 10 0 AFAERN O=C1CCCCC[C@@H]1Cc1ccco1 62102277 572475521 /nfs/dbraw/zinc/47/55/21/572475521.db2.gz RGNKASWTNLLKCR-SNVBAGLBSA-N 0 0 192.258 2.972 10 0 AFAERN CCCC(=O)CCc1ccco1 62102260 572475647 /nfs/dbraw/zinc/47/56/47/572475647.db2.gz HYRHYLYONNVSQE-UHFFFAOYSA-N 0 0 166.220 2.581 10 0 AFAERN CCC(=O)[C@@H](CC)Nc1ccccc1 238263215 572478494 /nfs/dbraw/zinc/47/84/94/572478494.db2.gz BRVKYWXUINGMSD-LLVKDONJSA-N 0 0 191.274 2.856 10 0 AFAERN O=C1CCCCC[C@H]1Cc1ccco1 62102276 572475748 /nfs/dbraw/zinc/47/57/48/572475748.db2.gz RGNKASWTNLLKCR-JTQLQIEISA-N 0 0 192.258 2.972 10 0 AFAERN CC1(C)CCc2cccc(O)c21 141416039 572478499 /nfs/dbraw/zinc/47/84/99/572478499.db2.gz SVXPDLCLZPKSTF-UHFFFAOYSA-N 0 0 162.232 2.616 10 0 AFAERN CCC[C@]1(C)C[C@H]1CNC(=O)OCC 238260901 572475879 /nfs/dbraw/zinc/47/58/79/572475879.db2.gz RJWVDBHEMIAJPS-GXSJLCMTSA-N 0 0 199.294 2.559 10 0 AFAERN CCc1ccc(F)c(CC)c1N 34267815 572475893 /nfs/dbraw/zinc/47/58/93/572475893.db2.gz AZEDPJMNHWVVLZ-UHFFFAOYSA-N 0 0 167.227 2.533 10 0 AFAERN O[C@@H]1CCCCC[C@H]1Cc1ccco1 62102567 572476115 /nfs/dbraw/zinc/47/61/15/572476115.db2.gz RJPOJFXFLQKVIA-CMPLNLGQSA-N 0 0 194.274 2.763 10 0 AFAERN O[C@@H]1CCCCC[C@@H]1Cc1ccco1 62102568 572476128 /nfs/dbraw/zinc/47/61/28/572476128.db2.gz RJPOJFXFLQKVIA-ZYHUDNBSSA-N 0 0 194.274 2.763 10 0 AFAERN O[C@H]1CCCCC[C@H]1Cc1ccco1 62102565 572476151 /nfs/dbraw/zinc/47/61/51/572476151.db2.gz RJPOJFXFLQKVIA-JQWIXIFHSA-N 0 0 194.274 2.763 10 0 AFAERN CCC[C@]1(C)C[C@@H]1CNC(=O)OCC 238260817 572476209 /nfs/dbraw/zinc/47/62/09/572476209.db2.gz RJWVDBHEMIAJPS-MWLCHTKSSA-N 0 0 199.294 2.559 10 0 AFAERN CCC[C@]1(C(C)C)CC[C@H](C(N)=O)C1 238259581 572476249 /nfs/dbraw/zinc/47/62/49/572476249.db2.gz PRJIKSWSVXOQFZ-JQWIXIFHSA-N 0 0 197.322 2.714 10 0 AFAERN Cc1[nH]c(=O)c(Cl)c2sccc12 34257234 572476340 /nfs/dbraw/zinc/47/63/40/572476340.db2.gz DEOBDQCCCJUNGN-UHFFFAOYSA-N 0 0 199.662 2.551 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@H](Cc2ccco2)C1 62102581 572476318 /nfs/dbraw/zinc/47/63/18/572476318.db2.gz REJJALGKAGCPLM-SCVCMEIPSA-N 0 0 194.274 2.619 10 0 AFAERN CC(C)CCCn1cccc1 62101648 572476460 /nfs/dbraw/zinc/47/64/60/572476460.db2.gz VXAOHIHITMHUDA-UHFFFAOYSA-N 0 0 151.253 2.924 10 0 AFAERN CC[C@H](O)COCCC1=CCCCC1 402440656 572476469 /nfs/dbraw/zinc/47/64/69/572476469.db2.gz NBARNENOGNYCKK-LBPRGKRZSA-N 0 0 198.306 2.664 10 0 AFAERN O[C@H]1CCCCC[C@@H]1Cc1ccco1 62102566 572476488 /nfs/dbraw/zinc/47/64/88/572476488.db2.gz RJPOJFXFLQKVIA-PWSUYJOCSA-N 0 0 194.274 2.763 10 0 AFAERN CC=C=C(SCC)[C@@H](O)CCC 238260793 572476634 /nfs/dbraw/zinc/47/66/34/572476634.db2.gz BRIXJOYPPCZYPA-GKAPJAKFSA-N 0 0 186.320 2.959 10 0 AFAERN C/C=C\CC(=O)Cc1ccccc1 207523244 572476675 /nfs/dbraw/zinc/47/66/75/572476675.db2.gz ZDJHFYBSZMQKIH-IHWYPQMZSA-N 0 0 174.243 2.764 10 0 AFAERN CC(C)=CCC/C(C)=C\CNC#N 308040384 572476726 /nfs/dbraw/zinc/47/67/26/572476726.db2.gz AOPWPEOHEGQPHG-XFFZJAGNSA-N 0 0 178.279 2.750 10 0 AFAERN CCCCc1cc(O)ccc1C(C)=O 238262833 572478636 /nfs/dbraw/zinc/47/86/36/572478636.db2.gz VFJYLOIBOZZJPF-UHFFFAOYSA-N 0 0 192.258 2.937 10 0 AFAERN C[C@@H]1CC[C@@H](O)[C@H](Cc2ccco2)C1 62102583 572476934 /nfs/dbraw/zinc/47/69/34/572476934.db2.gz REJJALGKAGCPLM-JFGNBEQYSA-N 0 0 194.274 2.619 10 0 AFAERN CCC[C@]1(C(C)C)CC[C@@H](C(N)=O)C1 238259569 572476982 /nfs/dbraw/zinc/47/69/82/572476982.db2.gz PRJIKSWSVXOQFZ-PWSUYJOCSA-N 0 0 197.322 2.714 10 0 AFAERN CCC[C@H](O)C1=CCC=CC=C1OC 238261034 572477025 /nfs/dbraw/zinc/47/70/25/572477025.db2.gz VZHZLVMHHMHBIH-NSHDSACASA-N 0 0 194.274 2.564 10 0 AFAERN CC[C@@H](C)C(CO)[C@H](C)CC 238261226 572477079 /nfs/dbraw/zinc/47/70/79/572477079.db2.gz KXUJLKMKKVCIGM-RKDXNWHRSA-N 0 0 158.285 2.687 10 0 AFAERN CCCCc1ccc(C(C)=O)c(O)c1 238263188 572479876 /nfs/dbraw/zinc/47/98/76/572479876.db2.gz DWVKKLOQNIIMFN-UHFFFAOYSA-N 0 0 192.258 2.937 10 0 AFAERN COC[C@H](C)CCNc1ccccc1 87421316 572477131 /nfs/dbraw/zinc/47/71/31/572477131.db2.gz DQSAKOJIPGKGTA-LLVKDONJSA-N 0 0 193.290 2.771 10 0 AFAERN Cc1[nH]c(=O)c(Cl)c2ccsc12 34257223 572477316 /nfs/dbraw/zinc/47/73/16/572477316.db2.gz JFGMRXRZSLKQJM-UHFFFAOYSA-N 0 0 199.662 2.551 10 0 AFAERN Cc1cccc(C[C@H](O)[C@H]2C[C@@H]2C)c1 62143468 572477830 /nfs/dbraw/zinc/47/78/30/572477830.db2.gz ORWIQSOKJXZMQK-DRZSPHRISA-N 0 0 190.286 2.554 10 0 AFAERN Cc1cccc(C[C@@H](O)C2CCC2)c1 62143477 572477841 /nfs/dbraw/zinc/47/78/41/572477841.db2.gz UXQOWNFXOFBQKH-CYBMUJFWSA-N 0 0 190.286 2.699 10 0 AFAERN CCCC(=O)Cc1c(F)cccc1F 87447135 572477851 /nfs/dbraw/zinc/47/78/51/572477851.db2.gz NZYHHEHYKPGYJS-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN CCOCCCCNc1ccccc1 87421313 572478179 /nfs/dbraw/zinc/47/81/79/572478179.db2.gz IUPPAMNGFAZLPN-UHFFFAOYSA-N 0 0 193.290 2.915 10 0 AFAERN O[C@H](Cc1ccccc1F)C1CCC1 62141735 572478225 /nfs/dbraw/zinc/47/82/25/572478225.db2.gz TYOATBSDBGRZJR-GFCCVEGCSA-N 0 0 194.249 2.529 10 0 AFAERN CCN(CC)c1ccc(N=O)c(N)c1 238262906 572478269 /nfs/dbraw/zinc/47/82/69/572478269.db2.gz BCJNIZMOTRIDEK-UHFFFAOYSA-N 0 0 193.250 2.513 10 0 AFAERN CC(C)[C@H]1CCCCCC[C@@H]1O 141432848 572478346 /nfs/dbraw/zinc/47/83/46/572478346.db2.gz MTASKEIDOQRCQF-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@]1(C)CCCCC1=O 141434573 572478364 /nfs/dbraw/zinc/47/83/64/572478364.db2.gz XPDCYLHNNYXXFF-JTQLQIEISA-N 0 0 154.253 2.936 10 0 AFAERN CCCCc1cc[nH]c1C(=O)OCC 238262964 572478388 /nfs/dbraw/zinc/47/83/88/572478388.db2.gz OCAWALHTTLFSGC-UHFFFAOYSA-N 0 0 195.262 2.534 10 0 AFAERN CSC[C@H](C)Nc1ccccc1 141399409 572478826 /nfs/dbraw/zinc/47/88/26/572478826.db2.gz WQRKCGMTIZVRQH-VIFPVBQESA-N 0 0 181.304 2.850 10 0 AFAERN Cc1ccccc1C[C@H](O)[C@@H]1C[C@@H]1C 62142009 572478853 /nfs/dbraw/zinc/47/88/53/572478853.db2.gz FRTWNYAOTFOIOU-UHTWSYAYSA-N 0 0 190.286 2.554 10 0 AFAERN O[C@H](Cc1ccc(F)cc1)C1CCC1 62140346 572478938 /nfs/dbraw/zinc/47/89/38/572478938.db2.gz QPSJWPULUXXUND-GFCCVEGCSA-N 0 0 194.249 2.529 10 0 AFAERN CSC[C@@H](C)Nc1ccccc1 141399230 572479052 /nfs/dbraw/zinc/47/90/52/572479052.db2.gz WQRKCGMTIZVRQH-SECBINFHSA-N 0 0 181.304 2.850 10 0 AFAERN O[C@@H](Cc1cccc(F)c1)C1CCC1 62141450 572479237 /nfs/dbraw/zinc/47/92/37/572479237.db2.gz DXUCOSPIQDGUCU-LBPRGKRZSA-N 0 0 194.249 2.529 10 0 AFAERN O[C@H](Cc1cccc(F)c1)C1CCC1 62141451 572479274 /nfs/dbraw/zinc/47/92/74/572479274.db2.gz DXUCOSPIQDGUCU-GFCCVEGCSA-N 0 0 194.249 2.529 10 0 AFAERN CC(C)[C@@H]1CCCCCC[C@@H]1O 141432658 572479289 /nfs/dbraw/zinc/47/92/89/572479289.db2.gz MTASKEIDOQRCQF-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccccc1C[C@H](O)[C@H]1C[C@@H]1C 62142014 572479317 /nfs/dbraw/zinc/47/93/17/572479317.db2.gz FRTWNYAOTFOIOU-DRZSPHRISA-N 0 0 190.286 2.554 10 0 AFAERN CCC[C@H](O)C/C=C/C[C@H](C)OC 238262780 572479402 /nfs/dbraw/zinc/47/94/02/572479402.db2.gz GOBBYQMEHFBYBO-PZIAFJOJSA-N 0 0 186.295 2.519 10 0 AFAERN CCC[C@H](O)[C@@H](CC)COC(C)C 238263313 572479497 /nfs/dbraw/zinc/47/94/97/572479497.db2.gz VJDVXXXLPBHKAJ-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN O[C@@H](c1ccoc1)C1CC(C2CC2)C1 714454804 572479580 /nfs/dbraw/zinc/47/95/80/572479580.db2.gz AVBWCQVCYDVJFF-MCIGGMRASA-N 0 0 192.258 2.749 10 0 AFAERN CCC[C@H](O)[C@@H](C)Nc1ccccc1 238263216 572479598 /nfs/dbraw/zinc/47/95/98/572479598.db2.gz LXCVDZJGNTYBCR-PWSUYJOCSA-N 0 0 193.290 2.648 10 0 AFAERN CCC[C@@H](OCCO)c1ccccc1 238263220 572479719 /nfs/dbraw/zinc/47/97/19/572479719.db2.gz HVRZREHHLWXISI-GFCCVEGCSA-N 0 0 194.274 2.537 10 0 AFAERN O[C@H](Cc1cccs1)c1ccoc1 62139334 572479757 /nfs/dbraw/zinc/47/97/57/572479757.db2.gz CEVIUISVMUIFON-SNVBAGLBSA-N 0 0 194.255 2.617 10 0 AFAERN O[C@@H](Cc1cccs1)c1ccoc1 62139332 572479766 /nfs/dbraw/zinc/47/97/66/572479766.db2.gz CEVIUISVMUIFON-JTQLQIEISA-N 0 0 194.255 2.617 10 0 AFAERN CCc1cc(CC)n(C(C)(C)C)n1 141336150 572482338 /nfs/dbraw/zinc/48/23/38/572482338.db2.gz XINMGDLUELGYTP-UHFFFAOYSA-N 0 0 180.295 2.763 10 0 AFAERN CC(C)[C@@H]1CCCCCC[C@H]1O 141433024 572480311 /nfs/dbraw/zinc/48/03/11/572480311.db2.gz MTASKEIDOQRCQF-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C(=O)OC)c1ccc(C)s1 84006157 572480382 /nfs/dbraw/zinc/48/03/82/572480382.db2.gz NISIKNARUMXINZ-MRVPVSSYSA-N 0 0 198.287 2.723 10 0 AFAERN CC[C@@H](O)CCc1ccc(C)s1 84021197 572480388 /nfs/dbraw/zinc/48/03/88/572480388.db2.gz OEGJMKMNFPTXHU-SECBINFHSA-N 0 0 184.304 2.760 10 0 AFAERN O[C@@H](Cc1ccc(F)cc1)C1CCC1 62140344 572480396 /nfs/dbraw/zinc/48/03/96/572480396.db2.gz QPSJWPULUXXUND-LBPRGKRZSA-N 0 0 194.249 2.529 10 0 AFAERN CCC[C@]1(C)CCCCC1=O 141434731 572480456 /nfs/dbraw/zinc/48/04/56/572480456.db2.gz XPDCYLHNNYXXFF-SNVBAGLBSA-N 0 0 154.253 2.936 10 0 AFAERN CCC[C@H](O)C/C=C/C[C@@H](C)OC 238262762 572480468 /nfs/dbraw/zinc/48/04/68/572480468.db2.gz GOBBYQMEHFBYBO-PVTPVBHGSA-N 0 0 186.295 2.519 10 0 AFAERN CCC[C@H](O)[C@@H](C)Cc1ccco1 238263205 572480510 /nfs/dbraw/zinc/48/05/10/572480510.db2.gz CZRFUJUOJIGLCZ-ONGXEEELSA-N 0 0 182.263 2.619 10 0 AFAERN Cc1cccc(C[C@H](O)[C@@H]2C[C@@H]2C)c1 62143465 572480528 /nfs/dbraw/zinc/48/05/28/572480528.db2.gz ORWIQSOKJXZMQK-UHTWSYAYSA-N 0 0 190.286 2.554 10 0 AFAERN CC[C@H](C(=O)OC)c1ccc(C)s1 84006154 572480569 /nfs/dbraw/zinc/48/05/69/572480569.db2.gz NISIKNARUMXINZ-QMMMGPOBSA-N 0 0 198.287 2.723 10 0 AFAERN O[C@H](c1ccoc1)C1CC(C2CC2)C1 714454796 572480672 /nfs/dbraw/zinc/48/06/72/572480672.db2.gz AVBWCQVCYDVJFF-HTAVTVPLSA-N 0 0 192.258 2.749 10 0 AFAERN CC(C)[C@H]1CCCCCC[C@H]1O 141433211 572480723 /nfs/dbraw/zinc/48/07/23/572480723.db2.gz MTASKEIDOQRCQF-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CON[C@H](C)c1csc(Cl)c1 234749235 572480848 /nfs/dbraw/zinc/48/08/48/572480848.db2.gz IEHIPLIOQDNCOD-RXMQYKEDSA-N 0 0 191.683 2.614 10 0 AFAERN Cc1cccc(C[C@H](O)C2CCC2)c1 62143475 572480869 /nfs/dbraw/zinc/48/08/69/572480869.db2.gz UXQOWNFXOFBQKH-ZDUSSCGKSA-N 0 0 190.286 2.699 10 0 AFAERN CCC[C@@H](OC)Oc1ccccc1O 238262734 572480897 /nfs/dbraw/zinc/48/08/97/572480897.db2.gz JOCIYRIQHFJIMV-NSHDSACASA-N 0 0 196.246 2.544 10 0 AFAERN Nc1cc(-c2cccc(F)c2)ns1 74246827 572480945 /nfs/dbraw/zinc/48/09/45/572480945.db2.gz VEZZVANACXTDLZ-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN Nc1cc(-c2ccc(F)cc2)ns1 74246828 572481338 /nfs/dbraw/zinc/48/13/38/572481338.db2.gz NAMMNBAFDBVSFS-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CC[C@H](O)CCc1ccc(C)s1 84021194 572481117 /nfs/dbraw/zinc/48/11/17/572481117.db2.gz OEGJMKMNFPTXHU-VIFPVBQESA-N 0 0 184.304 2.760 10 0 AFAERN CCO[C@@H](C)C(=O)c1ccc(C)s1 84007618 572481271 /nfs/dbraw/zinc/48/12/71/572481271.db2.gz RCQNXVDNJUZKCM-QMMMGPOBSA-N 0 0 198.287 2.664 10 0 AFAERN Cc1ccc(CC[C@H](O)C2CC2)s1 84021208 572483205 /nfs/dbraw/zinc/48/32/05/572483205.db2.gz SVADKWPFJSESSL-NSHDSACASA-N 0 0 196.315 2.760 10 0 AFAERN Cc1c(N)oc2nc(C(C)(C)C)oc12 74246673 572482158 /nfs/dbraw/zinc/48/21/58/572482158.db2.gz XXFJARNHWGRIPY-UHFFFAOYSA-N 0 0 194.234 2.609 10 0 AFAERN CCC[C@H]1CN(C)c2ccccc2N1 76930471 572482510 /nfs/dbraw/zinc/48/25/10/572482510.db2.gz IOMZUPLCEFCLEX-JTQLQIEISA-N 0 0 190.290 2.717 10 0 AFAERN CC(C)(C)c1ccc2cccnc2n1 141364077 572482617 /nfs/dbraw/zinc/48/26/17/572482617.db2.gz FDXVELNTEJPJGZ-UHFFFAOYSA-N 0 0 186.258 2.927 10 0 AFAERN Cc1ccc(CCC(=O)C2CC2)s1 84020494 572482668 /nfs/dbraw/zinc/48/26/68/572482668.db2.gz YIJXNXZTILBTJU-UHFFFAOYSA-N 0 0 194.299 2.968 10 0 AFAERN Nc1cnsc1-c1cccc(F)c1 74246826 572482777 /nfs/dbraw/zinc/48/27/77/572482777.db2.gz PKDSSGREBQEZCF-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN C/C=C/CO[C@@H]1CC(C)(C)CC[C@@H]1O 402455531 572482962 /nfs/dbraw/zinc/48/29/62/572482962.db2.gz VIIZUNJTHXERHE-BXXZLRJFSA-N 0 0 198.306 2.519 10 0 AFAERN C/C(=C/C(C)(C)C)c1nc(C)no1 379416930 572482974 /nfs/dbraw/zinc/48/29/74/572482974.db2.gz SUQZNRPHQFJXLV-SREVYHEPSA-N 0 0 180.251 2.827 10 0 AFAERN Cc1ccc(CC[C@@H](O)C2CC2)s1 84021211 572482991 /nfs/dbraw/zinc/48/29/91/572482991.db2.gz SVADKWPFJSESSL-LLVKDONJSA-N 0 0 196.315 2.760 10 0 AFAERN O=Cc1occc1Oc1ccccc1 141341298 572483054 /nfs/dbraw/zinc/48/30/54/572483054.db2.gz MMHNDEFYJIASHT-UHFFFAOYSA-N 0 0 188.182 2.884 10 0 AFAERN CCO[C@H](C)C(=O)c1ccc(C)s1 84007620 572483171 /nfs/dbraw/zinc/48/31/71/572483171.db2.gz RCQNXVDNJUZKCM-MRVPVSSYSA-N 0 0 198.287 2.664 10 0 AFAERN CC(C)(C)[C@@H]1COc2oc(C=O)cc21 74246855 572483740 /nfs/dbraw/zinc/48/37/40/572483740.db2.gz AAJNVFHAILCQIJ-SECBINFHSA-N 0 0 194.230 2.614 10 0 AFAERN C/C=C\CO[C@@H]1CC(C)(C)CC[C@@H]1O 402455533 572483809 /nfs/dbraw/zinc/48/38/09/572483809.db2.gz VIIZUNJTHXERHE-NRFYAWERSA-N 0 0 198.306 2.519 10 0 AFAERN CCOCC(=O)[C@H]1CCC[C@@H](CC)C1 84062838 572485649 /nfs/dbraw/zinc/48/56/49/572485649.db2.gz WBANCEGNOUPCKP-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CCC[C@@H](SC)[C@H](CC)CO 238263598 572483885 /nfs/dbraw/zinc/48/38/85/572483885.db2.gz IRVQDAAZJRNAPS-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)(C)[C@H]1COc2oc(C=O)cc21 74246856 572483896 /nfs/dbraw/zinc/48/38/96/572483896.db2.gz AAJNVFHAILCQIJ-VIFPVBQESA-N 0 0 194.230 2.614 10 0 AFAERN CCCCc1ccc(OC)cc1O 238264126 572484139 /nfs/dbraw/zinc/48/41/39/572484139.db2.gz FHKNSUFXGJFOGV-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN CCC[C@@H](SC)[C@@H](CC)CO 238263578 572484270 /nfs/dbraw/zinc/48/42/70/572484270.db2.gz IRVQDAAZJRNAPS-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN O=Cc1cc2c(s1)[C@H]1CCC[C@H]1O2 74246404 572484302 /nfs/dbraw/zinc/48/43/02/572484302.db2.gz ZGCZXTWZSRWPJZ-JGVFFNPUSA-N 0 0 194.255 2.589 10 0 AFAERN CC(=O)Nc1cccc(CC(C)C)c1 62191021 572485991 /nfs/dbraw/zinc/48/59/91/572485991.db2.gz BLOLJIFPBJNDHD-UHFFFAOYSA-N 0 0 191.274 2.844 10 0 AFAERN CCOC(=O)c1ccc(F)cc1CC 238263593 572484385 /nfs/dbraw/zinc/48/43/85/572484385.db2.gz JRYQMFAVMRXYFI-UHFFFAOYSA-N 0 0 196.221 2.565 10 0 AFAERN CCC[C@H](CC)CNC(=O)OCC 238263922 572484432 /nfs/dbraw/zinc/48/44/32/572484432.db2.gz BYRRITIEJLFEBF-VIFPVBQESA-N 0 0 187.283 2.559 10 0 AFAERN CCOCC(=O)[C@@H]1CCCC[C@@H]1CC 84062904 572485993 /nfs/dbraw/zinc/48/59/93/572485993.db2.gz LXGUXCHDVBVIPI-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CCCCc1cc(C(C)=O)ccn1 238261964 572486047 /nfs/dbraw/zinc/48/60/47/572486047.db2.gz GYTFXLGBWGHRKW-UHFFFAOYSA-N 0 0 177.247 2.627 10 0 AFAERN Cc1ccc(-c2noc(C)c2N)s1 74246337 572484722 /nfs/dbraw/zinc/48/47/22/572484722.db2.gz IAXKVIDNJPXERV-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCOCC(=O)[C@@H]1CCC[C@H](CC)C1 84062843 572484824 /nfs/dbraw/zinc/48/48/24/572484824.db2.gz WBANCEGNOUPCKP-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN O=Cc1scc2c1[C@H]1CCC[C@@H]1O2 74246400 572485141 /nfs/dbraw/zinc/48/51/41/572485141.db2.gz CDSMYJQOYTXXKN-BQBZGAKWSA-N 0 0 194.255 2.589 10 0 AFAERN CCOCC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 84062877 572485430 /nfs/dbraw/zinc/48/54/30/572485430.db2.gz FQNQVAWAVFPOHN-GMTAPVOTSA-N 0 0 198.306 2.664 10 0 AFAERN O=Cc1scc2c1[C@H]1CCC[C@H]1O2 74246402 572485371 /nfs/dbraw/zinc/48/53/71/572485371.db2.gz CDSMYJQOYTXXKN-NKWVEPMBSA-N 0 0 194.255 2.589 10 0 AFAERN Cc1nc(-c2ccoc2C)sc1N 74246391 572485497 /nfs/dbraw/zinc/48/54/97/572485497.db2.gz ABAZDBWTSUALEC-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN Cc1noc(C)c1-c1sccc1N 74246354 572485639 /nfs/dbraw/zinc/48/56/39/572485639.db2.gz XYJMWICWAWMNQA-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN Nc1c(Cl)c(F)cc(F)c1Cl 44830326 572485582 /nfs/dbraw/zinc/48/55/82/572485582.db2.gz YNQPOOIXRNUPND-UHFFFAOYSA-N 0 0 197.999 2.854 10 0 AFAERN CCCCc1cccc(N)c1C 44857558 572485609 /nfs/dbraw/zinc/48/56/09/572485609.db2.gz AFKQCCGMXRKMMU-UHFFFAOYSA-N 0 0 163.264 2.920 10 0 AFAERN Cc1csc([C@@H](O)CCC2CC2)n1 235942908 572485717 /nfs/dbraw/zinc/48/57/17/572485717.db2.gz WIKMEXYDELKFFR-VIFPVBQESA-N 0 0 197.303 2.675 10 0 AFAERN CCC[C@@H]1CNc2ccccc2N1C 76936346 572485902 /nfs/dbraw/zinc/48/59/02/572485902.db2.gz WBFWTLHMNSDNRG-SNVBAGLBSA-N 0 0 190.290 2.717 10 0 AFAERN O=Cc1scc2c1[C@@H]1CCC[C@H]1O2 74246401 572485910 /nfs/dbraw/zinc/48/59/10/572485910.db2.gz CDSMYJQOYTXXKN-RNFRBKRXSA-N 0 0 194.255 2.589 10 0 AFAERN O=Cc1scc2c1O[C@H]1CCC[C@@H]21 74246409 572485928 /nfs/dbraw/zinc/48/59/28/572485928.db2.gz YFBBMKBJUHZHQF-XPUUQOCRSA-N 0 0 194.255 2.589 10 0 AFAERN CCC[C@H](O)CCC(C)(F)F 238261881 572485964 /nfs/dbraw/zinc/48/59/64/572485964.db2.gz ASWFOWGTNWHTEG-ZETCQYMHSA-N 0 0 166.211 2.583 10 0 AFAERN CCOCC(=O)C1C[C@H](C)C[C@@H](C)C1 84062699 572486059 /nfs/dbraw/zinc/48/60/59/572486059.db2.gz HIIMFENNFALHPI-NXEZZACHSA-N 0 0 198.306 2.664 10 0 AFAERN CCCCc1cccc([C@H](O)CC)n1 238265497 572486168 /nfs/dbraw/zinc/48/61/68/572486168.db2.gz AXIPXLPRHWLEQM-GFCCVEGCSA-N 0 0 193.290 2.868 10 0 AFAERN CCOCCCCc1cccc(O)c1 238264723 572486192 /nfs/dbraw/zinc/48/61/92/572486192.db2.gz ZURPRBZYLQNFMH-UHFFFAOYSA-N 0 0 194.274 2.751 10 0 AFAERN CCc1ccc(C)c(NC(=O)OC)c1 62190648 572486309 /nfs/dbraw/zinc/48/63/09/572486309.db2.gz BLMGLMSWWZMFGE-UHFFFAOYSA-N 0 0 193.246 2.736 10 0 AFAERN CCC[C@H](O)[C@H](C)Cc1ccco1 238264379 572486402 /nfs/dbraw/zinc/48/64/02/572486402.db2.gz CZRFUJUOJIGLCZ-KOLCDFICSA-N 0 0 182.263 2.619 10 0 AFAERN CCOCC(=O)C1C[C@@H](C)C[C@H](C)C1 84062696 572486403 /nfs/dbraw/zinc/48/64/03/572486403.db2.gz HIIMFENNFALHPI-UWVGGRQHSA-N 0 0 198.306 2.664 10 0 AFAERN O=Cc1scc2c1[C@@H]1CCC[C@@H]1O2 74246399 572486483 /nfs/dbraw/zinc/48/64/83/572486483.db2.gz CDSMYJQOYTXXKN-RQJHMYQMSA-N 0 0 194.255 2.589 10 0 AFAERN CCOCC(=O)c1cc(C)cc(C)c1 84062939 572486599 /nfs/dbraw/zinc/48/65/99/572486599.db2.gz UTSLPRKLFYYPNT-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN CCCCc1ccc([C@H](C)[NH2+]C)nc1 238264681 572486515 /nfs/dbraw/zinc/48/65/15/572486515.db2.gz GOOAJAGFMRMQDZ-JTQLQIEISA-N 0 0 192.306 2.705 10 0 AFAERN Cc1cn(C2CC2)c(NC(C)(C)C)[nH+]1 235941636 572486553 /nfs/dbraw/zinc/48/65/53/572486553.db2.gz KBKPERPZCNNNIS-UHFFFAOYSA-N 0 0 193.294 2.737 10 0 AFAERN O=Cc1cc2c(s1)[C@@H]1CCC[C@@H]1O2 74246405 572486572 /nfs/dbraw/zinc/48/65/72/572486572.db2.gz ZGCZXTWZSRWPJZ-SFYZADRCSA-N 0 0 194.255 2.589 10 0 AFAERN CON[C@@H](C)c1csc(Cl)c1 234746149 572486773 /nfs/dbraw/zinc/48/67/73/572486773.db2.gz IEHIPLIOQDNCOD-YFKPBYRVSA-N 0 0 191.683 2.614 10 0 AFAERN Cc1cccc(O)c1CC(C)C 141497820 572486811 /nfs/dbraw/zinc/48/68/11/572486811.db2.gz YLIYUDQRTWXQSQ-UHFFFAOYSA-N 0 0 164.248 2.899 10 0 AFAERN Cc1cc(C(C)C)ccc1N 44857545 572486827 /nfs/dbraw/zinc/48/68/27/572486827.db2.gz WYWNLVJBQRJIOU-UHFFFAOYSA-N 0 0 149.237 2.701 10 0 AFAERN CCCCCCC(=O)COCC 84062906 572486834 /nfs/dbraw/zinc/48/68/34/572486834.db2.gz UZASHXPCOCDUEK-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN CCC[C@H](O)CCC=C1C=CC=C1 238261932 572486864 /nfs/dbraw/zinc/48/68/64/572486864.db2.gz RKBDZXQBGJOJIP-LBPRGKRZSA-N 0 0 178.275 2.980 10 0 AFAERN CCCCc1ccc([C@@H]([NH3+])CC)nc1 238264523 572486939 /nfs/dbraw/zinc/48/69/39/572486939.db2.gz GTJORONIVUQKLU-NSHDSACASA-N 0 0 192.306 2.834 10 0 AFAERN CC/C(=C\c1ccco1)[C@H](O)CC 238265268 572486962 /nfs/dbraw/zinc/48/69/62/572486962.db2.gz NIGZOLYBNDBZEX-ANYFNZRUSA-N 0 0 180.247 2.844 10 0 AFAERN CCNc1ccc2ccccc2c(=O)c1 238265610 572487130 /nfs/dbraw/zinc/48/71/30/572487130.db2.gz UPLTUWBSNVSBCR-UHFFFAOYSA-N 0 0 199.253 2.632 10 0 AFAERN CCc1noc(-c2cccs2)c1N 74246336 572487136 /nfs/dbraw/zinc/48/71/36/572487136.db2.gz ADGROXQLBTZNAG-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CCCCc1cccc([C@@H](O)CC)n1 238265359 572487167 /nfs/dbraw/zinc/48/71/67/572487167.db2.gz AXIPXLPRHWLEQM-LBPRGKRZSA-N 0 0 193.290 2.868 10 0 AFAERN CCCOc1cccc(OC(C)C)n1 238264257 572487171 /nfs/dbraw/zinc/48/71/71/572487171.db2.gz IKMVFGWEVRMQMU-UHFFFAOYSA-N 0 0 195.262 2.658 10 0 AFAERN Oc1cccc(O)c1C1CCCC1 141486886 572487201 /nfs/dbraw/zinc/48/72/01/572487201.db2.gz GRNDCTQCECXRLK-UHFFFAOYSA-N 0 0 178.231 2.755 10 0 AFAERN Cc1cc(-c2nc(C)c(N)s2)co1 74246393 572487212 /nfs/dbraw/zinc/48/72/12/572487212.db2.gz ZYPUAILJCAULAI-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCOCC(=O)[C@H]1CCC[C@H](CC)C1 84062840 572487260 /nfs/dbraw/zinc/48/72/60/572487260.db2.gz WBANCEGNOUPCKP-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CCC[C@H](O)[C@H](CC)COC(C)C 238264502 572487314 /nfs/dbraw/zinc/48/73/14/572487314.db2.gz VJDVXXXLPBHKAJ-MNOVXSKESA-N 0 0 188.311 2.599 10 0 AFAERN CCCCc1ccc([C@H]([NH3+])CC)nc1 238264817 572487418 /nfs/dbraw/zinc/48/74/18/572487418.db2.gz GTJORONIVUQKLU-LLVKDONJSA-N 0 0 192.306 2.834 10 0 AFAERN CCC[C@H](O)[C@H](C)Nc1ccccc1 238264387 572487437 /nfs/dbraw/zinc/48/74/37/572487437.db2.gz LXCVDZJGNTYBCR-JQWIXIFHSA-N 0 0 193.290 2.648 10 0 AFAERN CCOCC(=O)C1CCC(CC)CC1 84062703 572487522 /nfs/dbraw/zinc/48/75/22/572487522.db2.gz FQBMETQDVOXNKP-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN O=Cc1scc2c1O[C@@H]1CCC[C@@H]21 74246410 572487550 /nfs/dbraw/zinc/48/75/50/572487550.db2.gz YFBBMKBJUHZHQF-POYBYMJQSA-N 0 0 194.255 2.589 10 0 AFAERN O=Cc1scc2c1O[C@@H]1CCC[C@H]21 74246408 572487629 /nfs/dbraw/zinc/48/76/29/572487629.db2.gz YFBBMKBJUHZHQF-HTRCEHHLSA-N 0 0 194.255 2.589 10 0 AFAERN CS[C@H]1CC[C@@H](n2cccc2)C1 235080742 572487657 /nfs/dbraw/zinc/48/76/57/572487657.db2.gz WQVLZORLCFJUMA-ZJUUUORDSA-N 0 0 181.304 2.945 10 0 AFAERN CCC(=O)Nc1cc(CC)ccc1C 62190609 572487738 /nfs/dbraw/zinc/48/77/38/572487738.db2.gz XUVZQLCXZQVTPY-UHFFFAOYSA-N 0 0 191.274 2.906 10 0 AFAERN Cc1nc(-c2sccc2N)oc1C 74246359 572487744 /nfs/dbraw/zinc/48/77/44/572487744.db2.gz ZMMFUIXVADGIBN-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCOCC(=O)c1cccc(C)c1C 84062970 572487797 /nfs/dbraw/zinc/48/77/97/572487797.db2.gz XCGQKKSVWXHYCY-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN CCOCC(=O)[C@H]1CCCC[C@H]1CC 84062899 572487802 /nfs/dbraw/zinc/48/78/02/572487802.db2.gz LXGUXCHDVBVIPI-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CCOCC(=O)[C@@H]1CCC[C@@H](CC)C1 84062842 572487855 /nfs/dbraw/zinc/48/78/55/572487855.db2.gz WBANCEGNOUPCKP-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CCO/C=C1/C=CCCC1 206660937 572488042 /nfs/dbraw/zinc/48/80/42/572488042.db2.gz RTCLXQYHTYZDIX-HJWRWDBZSA-N 0 0 138.210 2.647 10 0 AFAERN Cc1cc(C)c(N(C)C)cc1C 114463208 572488060 /nfs/dbraw/zinc/48/80/60/572488060.db2.gz HUYFFBCSEMCAGG-UHFFFAOYSA-N 0 0 163.264 2.678 10 0 AFAERN CCCc1cccc(N)c1C 44857559 572488064 /nfs/dbraw/zinc/48/80/64/572488064.db2.gz XLYZBMQBQJIVFE-UHFFFAOYSA-N 0 0 149.237 2.530 10 0 AFAERN CCOCC(=O)[C@@H]1CCCC[C@H]1CC 84062903 572488065 /nfs/dbraw/zinc/48/80/65/572488065.db2.gz LXGUXCHDVBVIPI-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CCC(C)(C)c1ccc(O)cc1O 141481725 572488091 /nfs/dbraw/zinc/48/80/91/572488091.db2.gz QHBMBCYBYVQBBG-UHFFFAOYSA-N 0 0 180.247 2.785 10 0 AFAERN CCOCC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 84062873 572488096 /nfs/dbraw/zinc/48/80/96/572488096.db2.gz FQNQVAWAVFPOHN-HBNTYKKESA-N 0 0 198.306 2.664 10 0 AFAERN CCCCc1ccc([C@H](O)CC)nc1 238264889 572488111 /nfs/dbraw/zinc/48/81/11/572488111.db2.gz GCQRHPGGHBMJPC-GFCCVEGCSA-N 0 0 193.290 2.868 10 0 AFAERN CCOCC(=O)[C@H]1CCCC[C@@H]1CC 84062900 572488138 /nfs/dbraw/zinc/48/81/38/572488138.db2.gz LXGUXCHDVBVIPI-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CCC[C@H](O)CCCC(F)F 238261976 572488155 /nfs/dbraw/zinc/48/81/55/572488155.db2.gz WCINOXSMLMVHLA-ZETCQYMHSA-N 0 0 166.211 2.583 10 0 AFAERN O=Cc1cc2c(s1)[C@H]1CCC[C@@H]1O2 74246403 572488250 /nfs/dbraw/zinc/48/82/50/572488250.db2.gz ZGCZXTWZSRWPJZ-YUMQZZPRSA-N 0 0 194.255 2.589 10 0 AFAERN CCC[C@@H]1CCCC[C@@H]1OC(=O)NC 238266676 572490553 /nfs/dbraw/zinc/49/05/53/572490553.db2.gz BNAIBXFSTAHXKA-ZJUUUORDSA-N 0 0 199.294 2.701 10 0 AFAERN O=Cc1scc2c1O[C@H]1CCC[C@H]21 74246407 572488370 /nfs/dbraw/zinc/48/83/70/572488370.db2.gz YFBBMKBJUHZHQF-SVRRBLITSA-N 0 0 194.255 2.589 10 0 AFAERN CCC[C@H]1CNc2ccccc2N1C 76936348 572488438 /nfs/dbraw/zinc/48/84/38/572488438.db2.gz WBFWTLHMNSDNRG-JTQLQIEISA-N 0 0 190.290 2.717 10 0 AFAERN CCC[C@H](O)CCC(C)(C)Cl 238261866 572488621 /nfs/dbraw/zinc/48/86/21/572488621.db2.gz KUYGAWFBRBYQLF-QMMMGPOBSA-N 0 0 178.703 2.945 10 0 AFAERN O=Cc1cc2c(s1)[C@@H]1CCC[C@H]1O2 74246406 572488701 /nfs/dbraw/zinc/48/87/01/572488701.db2.gz ZGCZXTWZSRWPJZ-HTQZYQBOSA-N 0 0 194.255 2.589 10 0 AFAERN Cc1coc(-c2nc(C)c(N)s2)c1 74246392 572488709 /nfs/dbraw/zinc/48/87/09/572488709.db2.gz WNEBUNDHABPPLK-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCOc1cncc(NCC(C)C)c1 238261944 572488727 /nfs/dbraw/zinc/48/87/27/572488727.db2.gz QUOYEYZNORHHNK-UHFFFAOYSA-N 0 0 194.278 2.548 10 0 AFAERN CCCCc1ccc([C@@H](O)CC)nc1 238264622 572488744 /nfs/dbraw/zinc/48/87/44/572488744.db2.gz GCQRHPGGHBMJPC-LBPRGKRZSA-N 0 0 193.290 2.868 10 0 AFAERN CCCCc1ccc([C@@H](C)[NH2+]C)nc1 238264246 572488800 /nfs/dbraw/zinc/48/88/00/572488800.db2.gz GOOAJAGFMRMQDZ-SNVBAGLBSA-N 0 0 192.306 2.705 10 0 AFAERN CCc1oncc1-c1sccc1N 74246355 572488981 /nfs/dbraw/zinc/48/89/81/572488981.db2.gz UJSZGIDXYFIKKL-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN Cc1coc(-c2nc(C)sc2N)c1 74246361 572489024 /nfs/dbraw/zinc/48/90/24/572489024.db2.gz IKJSKBJRKYGIIG-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN C=C/C=C\CC[C@H](NN)[C@H](C)C(C)C 713716618 572489333 /nfs/dbraw/zinc/48/93/33/572489333.db2.gz HZQZKBZKRKWASP-PBWNMSGQSA-N 0 0 196.338 2.633 10 0 AFAERN CCC[C@H](OC)Oc1ccccc1O 238267680 572489368 /nfs/dbraw/zinc/48/93/68/572489368.db2.gz JOCIYRIQHFJIMV-LLVKDONJSA-N 0 0 196.246 2.544 10 0 AFAERN CC/C=C(/CCC)[C@H](O)CC 238266384 572490119 /nfs/dbraw/zinc/49/01/19/572490119.db2.gz XWQJJMLOURMSMA-UJICNMFASA-N 0 0 156.269 2.894 10 0 AFAERN CCCCc1nc(C=O)cn1C(C)C 238267263 572490199 /nfs/dbraw/zinc/49/01/99/572490199.db2.gz IZVWFLXTYJNECU-UHFFFAOYSA-N 0 0 194.278 2.619 10 0 AFAERN CCC[C@H](O)/C=C/[C@H](CCC)OC 238266460 572490378 /nfs/dbraw/zinc/49/03/78/572490378.db2.gz UPJPXWRYAFYXCU-WRSFFWLLSA-N 0 0 186.295 2.519 10 0 AFAERN CCCCc1ccncc1C(C)=O 238266122 572490400 /nfs/dbraw/zinc/49/04/00/572490400.db2.gz RBLHGQGPAHZICC-UHFFFAOYSA-N 0 0 177.247 2.627 10 0 AFAERN COC[C@H]1C[C@H](C)Nc2ccccc21 234748183 572490461 /nfs/dbraw/zinc/49/04/61/572490461.db2.gz BPBUPRXAIRYECU-VHSXEESVSA-N 0 0 191.274 2.621 10 0 AFAERN C=C/C=C/CC[C@H](NN)[C@H](C)C(C)C 713716611 572490902 /nfs/dbraw/zinc/49/09/02/572490902.db2.gz HZQZKBZKRKWASP-JIVBQCDMSA-N 0 0 196.338 2.633 10 0 AFAERN C=CC1=CC[C@H](CO)[C@H](CCC)C1 238265685 572490918 /nfs/dbraw/zinc/49/09/18/572490918.db2.gz VSHNKBYUJSGYHI-VXGBXAGGSA-N 0 0 180.291 2.917 10 0 AFAERN COC[C@H](Nc1ccccc1)C(C)C 87476797 572491048 /nfs/dbraw/zinc/49/10/48/572491048.db2.gz KUMVKVXRLLRVSK-LBPRGKRZSA-N 0 0 193.290 2.770 10 0 AFAERN COC[C@H](Nc1ccsc1)C(C)C 87481627 572491347 /nfs/dbraw/zinc/49/13/47/572491347.db2.gz CLLSYCYBBJHHDZ-JTQLQIEISA-N 0 0 199.319 2.831 10 0 AFAERN CCOc1cc(F)ccc1OC1CC1 238267123 572491401 /nfs/dbraw/zinc/49/14/01/572491401.db2.gz BBBQAFHZQHCKNX-UHFFFAOYSA-N 0 0 196.221 2.766 10 0 AFAERN C=CC1=CC[C@@H](CO)[C@H](CCC)C1 238265696 572491656 /nfs/dbraw/zinc/49/16/56/572491656.db2.gz VSHNKBYUJSGYHI-NEPJUHHUSA-N 0 0 180.291 2.917 10 0 AFAERN CCOC(=O)c1ccccc1C1CC1 238267393 572491803 /nfs/dbraw/zinc/49/18/03/572491803.db2.gz RHTNCXFAIMVRSW-UHFFFAOYSA-N 0 0 190.242 2.741 10 0 AFAERN COC[C@H]1C[C@@H](C)Nc2ccccc21 234748081 572491968 /nfs/dbraw/zinc/49/19/68/572491968.db2.gz BPBUPRXAIRYECU-NXEZZACHSA-N 0 0 191.274 2.621 10 0 AFAERN CCCCc1nc(C)c(C=O)s1 238267106 572492083 /nfs/dbraw/zinc/49/20/83/572492083.db2.gz BPEAIRNXEBOPSU-UHFFFAOYSA-N 0 0 183.276 2.607 10 0 AFAERN CC[C@@H](O)C/C=C/Cc1ccccc1 238267245 572492117 /nfs/dbraw/zinc/49/21/17/572492117.db2.gz GDGJQBVUXXOICA-KTRBRXNASA-N 0 0 190.286 2.946 10 0 AFAERN CCCCc1cnccc1[C@H](C)CO 238266525 572492233 /nfs/dbraw/zinc/49/22/33/572492233.db2.gz FWVKCJIMAOUGOU-SNVBAGLBSA-N 0 0 193.290 2.520 10 0 AFAERN CCOC(=O)c1cccc(CC)c1F 238265892 572492366 /nfs/dbraw/zinc/49/23/66/572492366.db2.gz UEHWAJREUFDQHM-UHFFFAOYSA-N 0 0 196.221 2.565 10 0 AFAERN CCC[C@H](O)/C=C/[C@@H](CCC)OC 238266421 572492693 /nfs/dbraw/zinc/49/26/93/572492693.db2.gz UPJPXWRYAFYXCU-CJUJNCCTSA-N 0 0 186.295 2.519 10 0 AFAERN CCC[C@@H]1CCCC[C@H]1OC(=O)NC 238266821 572492716 /nfs/dbraw/zinc/49/27/16/572492716.db2.gz BNAIBXFSTAHXKA-NXEZZACHSA-N 0 0 199.294 2.701 10 0 AFAERN C=C/C=C/CC[C@H](NN)[C@@H](C)C(C)C 713716615 572492783 /nfs/dbraw/zinc/49/27/83/572492783.db2.gz HZQZKBZKRKWASP-KZQRZKTQSA-N 0 0 196.338 2.633 10 0 AFAERN CCCC(=O)Cc1ccncc1Cl 84086409 572492793 /nfs/dbraw/zinc/49/27/93/572492793.db2.gz ZBONNUZDSWHGTN-UHFFFAOYSA-N 0 0 197.665 2.647 10 0 AFAERN C=C/C=C\CC[C@H](NN)[C@@H](C)C(C)C 713716617 572492846 /nfs/dbraw/zinc/49/28/46/572492846.db2.gz HZQZKBZKRKWASP-MVSYMCDOSA-N 0 0 196.338 2.633 10 0 AFAERN COC[C@@H](Nc1ccsc1)C(C)C 87481624 572492981 /nfs/dbraw/zinc/49/29/81/572492981.db2.gz CLLSYCYBBJHHDZ-SNVBAGLBSA-N 0 0 199.319 2.831 10 0 AFAERN COC[C@H](Nc1ccsc1)C1CC1 87481630 572493048 /nfs/dbraw/zinc/49/30/48/572493048.db2.gz QEXGPOMIUWGMHA-JTQLQIEISA-N 0 0 197.303 2.585 10 0 AFAERN CCCCc1ncc(C)c(C)c1C=O 238268106 572493226 /nfs/dbraw/zinc/49/32/26/572493226.db2.gz BQYBXLXYZQINKK-UHFFFAOYSA-N 0 0 191.274 2.854 10 0 AFAERN C=C/C(C)=C\CC[C@H](O)CC 238269149 572493686 /nfs/dbraw/zinc/49/36/86/572493686.db2.gz OCLHVNQLMTTZSS-UJICNMFASA-N 0 0 154.253 2.670 10 0 AFAERN CCCC(=O)c1ccc2c(c1)COC2 62331306 572493443 /nfs/dbraw/zinc/49/34/43/572493443.db2.gz ZWITYDSSFVIMHE-UHFFFAOYSA-N 0 0 190.242 2.700 10 0 AFAERN COC[C@@H](Nc1ccccc1)C(C)C 87476795 572493621 /nfs/dbraw/zinc/49/36/21/572493621.db2.gz KUMVKVXRLLRVSK-GFCCVEGCSA-N 0 0 193.290 2.770 10 0 AFAERN COC(=O)CCC1CCC(C)CC1 197549289 572493797 /nfs/dbraw/zinc/49/37/97/572493797.db2.gz QMMDRTDJEBFQPH-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CCC[C@@H]1CCC[C@@H](OC(=O)NC)C1 238267926 572494143 /nfs/dbraw/zinc/49/41/43/572494143.db2.gz XOXDCAVVNBQEBI-NXEZZACHSA-N 0 0 199.294 2.701 10 0 AFAERN CCCCc1ncc(C)c(C)c1CO 238268124 572494222 /nfs/dbraw/zinc/49/42/22/572494222.db2.gz DSEMPAKGSSIHOW-UHFFFAOYSA-N 0 0 193.290 2.533 10 0 AFAERN CCC(C)(C)C[C@H](CC1(C)CC1)NN 713265613 572494411 /nfs/dbraw/zinc/49/44/11/572494411.db2.gz PZLUCSMXJZPNHU-SNVBAGLBSA-N 0 0 198.354 2.835 10 0 AFAERN CCC[C@H](OCCO)c1ccccc1 238268254 572494484 /nfs/dbraw/zinc/49/44/84/572494484.db2.gz HVRZREHHLWXISI-LBPRGKRZSA-N 0 0 194.274 2.537 10 0 AFAERN CCC[C@H](SC)[C@H](CC)CO 238268800 572494528 /nfs/dbraw/zinc/49/45/28/572494528.db2.gz IRVQDAAZJRNAPS-BDAKNGLRSA-N 0 0 176.325 2.537 10 0 AFAERN CCCCc1ncncc1OC(C)C 238268574 572494545 /nfs/dbraw/zinc/49/45/45/572494545.db2.gz NNVTYLZROYIYJQ-UHFFFAOYSA-N 0 0 194.278 2.606 10 0 AFAERN Nc1c[nH]c(-c2ccc(F)c(F)c2)c1 74247235 572494663 /nfs/dbraw/zinc/49/46/63/572494663.db2.gz XYIJEQYNIOPRNX-UHFFFAOYSA-N 0 0 194.184 2.542 10 0 AFAERN CC(=O)CCCc1ccncc1Cl 84088423 572495086 /nfs/dbraw/zinc/49/50/86/572495086.db2.gz RLXJKVKQMJXIIS-UHFFFAOYSA-N 0 0 197.665 2.647 10 0 AFAERN Cc1cc(Cl)ncc1N1CCCC1 62465835 572495099 /nfs/dbraw/zinc/49/50/99/572495099.db2.gz JLUPQDARUPNVAY-UHFFFAOYSA-N 0 0 196.681 2.644 10 0 AFAERN CC[C@H](C[C@@H](C)CC(C)C)C(N)=O 238270623 572495122 /nfs/dbraw/zinc/49/51/22/572495122.db2.gz ODEARDUCHHLJFX-VHSXEESVSA-N 0 0 185.311 2.570 10 0 AFAERN CCC(C)(C)C[C@@H](CC1(C)CC1)NN 713265609 572495777 /nfs/dbraw/zinc/49/57/77/572495777.db2.gz PZLUCSMXJZPNHU-JTQLQIEISA-N 0 0 198.354 2.835 10 0 AFAERN CCC(=O)CCc1ccncc1Cl 84085439 572495784 /nfs/dbraw/zinc/49/57/84/572495784.db2.gz DAERMLHWCJBPBM-UHFFFAOYSA-N 0 0 197.665 2.647 10 0 AFAERN C/C=C(\C)CCC[C@H](C)O 307777535 572496600 /nfs/dbraw/zinc/49/66/00/572496600.db2.gz BLLBSXUQSZMEKZ-SGDMMICCSA-N 0 0 142.242 2.504 10 0 AFAERN CC[C@H](C[C@H](C)CC(C)C)C(N)=O 238271411 572496786 /nfs/dbraw/zinc/49/67/86/572496786.db2.gz ODEARDUCHHLJFX-NXEZZACHSA-N 0 0 185.311 2.570 10 0 AFAERN CCCCC[C@]12CC(=O)C[C@H]1C2 114472524 572496804 /nfs/dbraw/zinc/49/68/04/572496804.db2.gz WQNFMKRLQHJTGH-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN Nc1c[nH]c(-c2c(F)cccc2F)c1 74247236 572497049 /nfs/dbraw/zinc/49/70/49/572497049.db2.gz NXNQADJGIPIALN-UHFFFAOYSA-N 0 0 194.184 2.542 10 0 AFAERN C/C=C\COc1cccc(O)c1C 207642198 572497314 /nfs/dbraw/zinc/49/73/14/572497314.db2.gz FAXQMLPIXTVYTG-ARJAWSKDSA-N 0 0 178.231 2.656 10 0 AFAERN CC[C@H](C[C@@H](C)CO)C(C)C 238270697 572497332 /nfs/dbraw/zinc/49/73/32/572497332.db2.gz YQVILLWJJKFUJF-NXEZZACHSA-N 0 0 158.285 2.687 10 0 AFAERN CCC/C=C\[C@@H](CCC)OC(N)=O 207638144 572497711 /nfs/dbraw/zinc/49/77/11/572497711.db2.gz CJASXXKQLCZIHU-JGAIRUGNSA-N 0 0 185.267 2.607 10 0 AFAERN CCCCC[C@@]12CC(=O)C[C@@H]1C2 114472531 572497861 /nfs/dbraw/zinc/49/78/61/572497861.db2.gz WQNFMKRLQHJTGH-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN CO[C@@H](C)[C@@H](O)C1=CCCCCCC1 234759814 572497867 /nfs/dbraw/zinc/49/78/67/572497867.db2.gz NJWAWQNQKIHHRD-CMPLNLGQSA-N 0 0 198.306 2.663 10 0 AFAERN CCCCC12CC(C(C)=O)(C1)C2 205093806 572497886 /nfs/dbraw/zinc/49/78/86/572497886.db2.gz QOCKJAVLOYJMPK-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@H](O)C1CCC(C)CC1 44983447 572498054 /nfs/dbraw/zinc/49/80/54/572498054.db2.gz CLFGGNQNXRZZLV-RTBKNWGFSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C[C@H](C)CO)C(C)C 238271460 572498124 /nfs/dbraw/zinc/49/81/24/572498124.db2.gz YQVILLWJJKFUJF-VHSXEESVSA-N 0 0 158.285 2.687 10 0 AFAERN CCC/C=C\[C@H](CCC)OC(N)=O 207638189 572498229 /nfs/dbraw/zinc/49/82/29/572498229.db2.gz CJASXXKQLCZIHU-XZLDQRQTSA-N 0 0 185.267 2.607 10 0 AFAERN CCC(=O)[C@H]1CCC[C@H](C)C1 44979442 572498530 /nfs/dbraw/zinc/49/85/30/572498530.db2.gz GTGTUXHMISGXAS-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](C[C@@H](C)O)c1ccco1 238270926 572498627 /nfs/dbraw/zinc/49/86/27/572498627.db2.gz WOETWRSDTMJIEB-RKDXNWHRSA-N 0 0 168.236 2.544 10 0 AFAERN CC[C@@H](O)CC[C@@H](C)CCC(C)=O 238270413 572498833 /nfs/dbraw/zinc/49/88/33/572498833.db2.gz JMGVHUYOZWRJKU-GXSJLCMTSA-N 0 0 186.295 2.543 10 0 AFAERN Cc1c(O)cccc1OC/C=C\Cl 207642286 572498897 /nfs/dbraw/zinc/49/88/97/572498897.db2.gz SCLFRUUZHGCLFD-UTCJRWHESA-N 0 0 198.649 2.832 10 0 AFAERN CCOC(=N)[C@@H]1CCC[C@H](C)C1 44981279 572498940 /nfs/dbraw/zinc/49/89/40/572498940.db2.gz GKRUFXREQRWUFU-DTWKUNHWSA-N 0 0 169.268 2.826 10 0 AFAERN CC(C)[C@@H](C)OCc1cccc(N)c1 87468363 572499024 /nfs/dbraw/zinc/49/90/24/572499024.db2.gz YJUKKPQGKJTZML-SNVBAGLBSA-N 0 0 193.290 2.830 10 0 AFAERN CCOC(=O)NC(C)(C)CC(C)C 238272379 572499061 /nfs/dbraw/zinc/49/90/61/572499061.db2.gz ICKVCDMIRUDRAM-UHFFFAOYSA-N 0 0 187.283 2.557 10 0 AFAERN CC1CCC([C@H](O)C(C)C)CC1 44983451 572499117 /nfs/dbraw/zinc/49/91/17/572499117.db2.gz RKIVOBCQQZPQMN-VQXHTEKXSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H](O)[C@@H]1CCC[C@H](C)C1 44980015 572499521 /nfs/dbraw/zinc/49/95/21/572499521.db2.gz ADAKRBPCADLFLA-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc(C)n1C[C@@H]1CCCOC1 44982672 572499579 /nfs/dbraw/zinc/49/95/79/572499579.db2.gz CEQBBPVANWJRLC-LBPRGKRZSA-N 0 0 193.290 2.532 10 0 AFAERN CCOC(=N)C1CCC(C)CC1 44983924 572499710 /nfs/dbraw/zinc/49/97/10/572499710.db2.gz KVGXJDWIYWNSOE-UHFFFAOYSA-N 0 0 169.268 2.826 10 0 AFAERN Cc1cccc(-c2ccc(N)c(C)n2)c1 235947007 572499728 /nfs/dbraw/zinc/49/97/28/572499728.db2.gz XLSHCCDEXLJKLD-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC[C@H](O)[C@H]1CCC[C@H](C)C1 44980018 572499816 /nfs/dbraw/zinc/49/98/16/572499816.db2.gz ADAKRBPCADLFLA-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@H](C)OCc1cccc(N)c1 87468364 572500334 /nfs/dbraw/zinc/50/03/34/572500334.db2.gz YJUKKPQGKJTZML-JTQLQIEISA-N 0 0 193.290 2.830 10 0 AFAERN CC(C)[C@@H](C)OCc1ccccc1N 87468223 572500614 /nfs/dbraw/zinc/50/06/14/572500614.db2.gz PPJNVNPAZXGCDF-SNVBAGLBSA-N 0 0 193.290 2.830 10 0 AFAERN CCCCc1ccc2c(c1)NCCO2 62521179 572500797 /nfs/dbraw/zinc/50/07/97/572500797.db2.gz VBNNIOHRWCYECG-UHFFFAOYSA-N 0 0 191.274 2.834 10 0 AFAERN CC(C)[C@@H](O)[C@@H]1CCC[C@@H](C)C1 44980031 572500805 /nfs/dbraw/zinc/50/08/05/572500805.db2.gz GWRAIQHQYRMAAC-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@@H](C)OCC(=O)C(C)(C)C 87469645 572502984 /nfs/dbraw/zinc/50/29/84/572502984.db2.gz BLUWCOQVCRHGMI-SECBINFHSA-N 0 0 186.295 2.663 10 0 AFAERN CCC(=O)[C@H]1CCC[C@@H](C)C1 44979448 572500958 /nfs/dbraw/zinc/50/09/58/572500958.db2.gz GTGTUXHMISGXAS-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)[C@@H](O)[C@H]1CCC[C@@H](C)C1 44980024 572501014 /nfs/dbraw/zinc/50/10/14/572501014.db2.gz GWRAIQHQYRMAAC-OUAUKWLOSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](C)OCc1ccccc1N 87468224 572501139 /nfs/dbraw/zinc/50/11/39/572501139.db2.gz PPJNVNPAZXGCDF-JTQLQIEISA-N 0 0 193.290 2.830 10 0 AFAERN CC[C@H](O)[C@@H]1CCC[C@H](C)C1 44980012 572501281 /nfs/dbraw/zinc/50/12/81/572501281.db2.gz ADAKRBPCADLFLA-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN CC1CCC([C@@H](O)C(C)C)CC1 44983453 572501328 /nfs/dbraw/zinc/50/13/28/572501328.db2.gz RKIVOBCQQZPQMN-ILDUYXDCSA-N 0 0 170.296 2.830 10 0 AFAERN CCC(=O)[C@@H]1CCC[C@@H](C)C1 44979445 572501360 /nfs/dbraw/zinc/50/13/60/572501360.db2.gz GTGTUXHMISGXAS-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)Oc1c(C)cc(C)cc1C 139507813 572501376 /nfs/dbraw/zinc/50/13/76/572501376.db2.gz OQGPSFXHNOKGTR-UHFFFAOYSA-N 0 0 192.258 2.927 10 0 AFAERN Cc1ccc2cc(F)c(F)c(F)c2n1 62567961 572501554 /nfs/dbraw/zinc/50/15/54/572501554.db2.gz WTOCAHMOLGRXGS-UHFFFAOYSA-N 0 0 197.159 2.961 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](O)CCCO2 62567636 572501622 /nfs/dbraw/zinc/50/16/22/572501622.db2.gz XPQBXMIAXSDHNN-NSHDSACASA-N 0 0 192.258 2.509 10 0 AFAERN CCOC(=N)[C@H]1CCC[C@H](C)C1 44981281 572501688 /nfs/dbraw/zinc/50/16/88/572501688.db2.gz GKRUFXREQRWUFU-IUCAKERBSA-N 0 0 169.268 2.826 10 0 AFAERN C=CC1=CC[C@@H](CO)[C@@H](CCC)C1 238271970 572501803 /nfs/dbraw/zinc/50/18/03/572501803.db2.gz VSHNKBYUJSGYHI-RYUDHWBXSA-N 0 0 180.291 2.917 10 0 AFAERN CC(C)[C@H](C)OCC(=O)c1ccco1 87469612 572501858 /nfs/dbraw/zinc/50/18/58/572501858.db2.gz XQEDZYJCBUCKRN-VIFPVBQESA-N 0 0 196.246 2.523 10 0 AFAERN CC[C@]1(C)C(=O)C[C@@H]1O[C@@H](C)C(C)C 87471096 572501913 /nfs/dbraw/zinc/50/19/13/572501913.db2.gz SZLGSQDBAUMECG-ZMLRMANQSA-N 0 0 198.306 2.805 10 0 AFAERN CC(C)(C)OC(=O)CCC(F)(F)F 84123956 572501944 /nfs/dbraw/zinc/50/19/44/572501944.db2.gz AHLXSJXVIGIIOH-UHFFFAOYSA-N 0 0 198.184 2.671 10 0 AFAERN O[C@@H](c1ccco1)C1CC(C2CC2)C1 714463082 572503041 /nfs/dbraw/zinc/50/30/41/572503041.db2.gz ZJLUCHJOOLEWEW-RTYFJBAXSA-N 0 0 192.258 2.749 10 0 AFAERN CC(C)[C@H](C)OCCCC[C@@H](C)O 87469842 572501988 /nfs/dbraw/zinc/50/19/88/572501988.db2.gz YDPRHIXVTZBJND-MNOVXSKESA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)[C@@H](C)OCCCC[C@@H](C)O 87469841 572502000 /nfs/dbraw/zinc/50/20/00/572502000.db2.gz YDPRHIXVTZBJND-GHMZBOCLSA-N 0 0 188.311 2.599 10 0 AFAERN CC(=O)CCCCO[C@H](C)C(C)C 87469671 572502026 /nfs/dbraw/zinc/50/20/26/572502026.db2.gz JBPUSIGSEYXKBY-LLVKDONJSA-N 0 0 186.295 2.807 10 0 AFAERN O[C@@H](CC1CCC1)C1CC(C2CC2)C1 714463026 572502256 /nfs/dbraw/zinc/50/22/56/572502256.db2.gz YZSYMQDYTKWOAQ-BPCQOVAHSA-N 0 0 194.318 2.974 10 0 AFAERN CC(C)[C@@H](C)OCC[C@H]1CCCC1=O 87469631 572502274 /nfs/dbraw/zinc/50/22/74/572502274.db2.gz PGFPZLYCGWBCBO-GHMZBOCLSA-N 0 0 198.306 2.807 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@H]1CCCS1 713717585 572502301 /nfs/dbraw/zinc/50/23/01/572502301.db2.gz FWWBZAVPZNJMEZ-MJKAUQOVSA-N 0 0 198.331 2.765 10 0 AFAERN CC[C@@H]1CNc2cc(C)c(C)cc2O1 62521433 572502305 /nfs/dbraw/zinc/50/23/05/572502305.db2.gz AWWUMFIYZPCISG-SNVBAGLBSA-N 0 0 191.274 2.886 10 0 AFAERN CC1(n2cn[nH]c2=S)CCCCC1 45046305 572502349 /nfs/dbraw/zinc/50/23/49/572502349.db2.gz MJBASOUDNQQGLK-UHFFFAOYSA-N 0 0 197.307 2.620 10 0 AFAERN C=CC1=CC[C@H](CO)[C@@H](CCC)C1 238271956 572502421 /nfs/dbraw/zinc/50/24/21/572502421.db2.gz VSHNKBYUJSGYHI-NWDGAFQWSA-N 0 0 180.291 2.917 10 0 AFAERN O[C@H](CC1CCC1)C1CC(C2CC2)C1 714463029 572502400 /nfs/dbraw/zinc/50/24/00/572502400.db2.gz YZSYMQDYTKWOAQ-WXRRBKDZSA-N 0 0 194.318 2.974 10 0 AFAERN CC(=O)CCCCO[C@@H](C)C(C)C 87469672 572502401 /nfs/dbraw/zinc/50/24/01/572502401.db2.gz JBPUSIGSEYXKBY-NSHDSACASA-N 0 0 186.295 2.807 10 0 AFAERN O=C(CCC(F)(F)F)c1ccc[nH]1 84123480 572502528 /nfs/dbraw/zinc/50/25/28/572502528.db2.gz DVLVPMDBEBGICT-UHFFFAOYSA-N 0 0 191.152 2.540 10 0 AFAERN CC(C)[C@@H](C)OCC[C@@H]1CCCC1=O 87469629 572502700 /nfs/dbraw/zinc/50/27/00/572502700.db2.gz PGFPZLYCGWBCBO-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H](CO)C(C)=C=C[Si](C)(C)C 238271856 572502840 /nfs/dbraw/zinc/50/28/40/572502840.db2.gz WBHGOBOHSHEHOP-QRIDDKLISA-N 0 0 198.382 2.984 10 0 AFAERN O[C@H](CCC(F)(F)F)C1=CCCC1 84124401 572502842 /nfs/dbraw/zinc/50/28/42/572502842.db2.gz QCJUYOMITMIRSZ-MRVPVSSYSA-N 0 0 194.196 2.800 10 0 AFAERN CC[C@@H]1CNc2cc(F)cc(F)c2O1 62522545 572502844 /nfs/dbraw/zinc/50/28/44/572502844.db2.gz RTAQSCYTWFRPQU-SSDOTTSWSA-N 0 0 199.200 2.548 10 0 AFAERN C=C/C=C\CC[C@H](O)[C@H]1CCCS1 713717584 572502849 /nfs/dbraw/zinc/50/28/49/572502849.db2.gz FWWBZAVPZNJMEZ-CBZSPVTBSA-N 0 0 198.331 2.765 10 0 AFAERN CC[Si](C)(C)CCCCCO 238272553 572502963 /nfs/dbraw/zinc/50/29/63/572502963.db2.gz SMPANSLZPDGRMK-UHFFFAOYSA-N 0 0 174.360 2.877 10 0 AFAERN CC(C)[C@@H](C)OCCCC[C@H](C)O 87469843 572503083 /nfs/dbraw/zinc/50/30/83/572503083.db2.gz YDPRHIXVTZBJND-WDEREUQCSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)[C@H](C)OCCCC[C@H](C)O 87469844 572503139 /nfs/dbraw/zinc/50/31/39/572503139.db2.gz YDPRHIXVTZBJND-QWRGUYRKSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)[C@@H](C)OCC(=O)c1ccco1 87469611 572503303 /nfs/dbraw/zinc/50/33/03/572503303.db2.gz XQEDZYJCBUCKRN-SECBINFHSA-N 0 0 196.246 2.523 10 0 AFAERN O[C@@H](CCC(F)(F)F)C1=CCCC1 84124402 572503307 /nfs/dbraw/zinc/50/33/07/572503307.db2.gz QCJUYOMITMIRSZ-QMMMGPOBSA-N 0 0 194.196 2.800 10 0 AFAERN CC(C)[C@H](C)OCC[C@@H]1CCCC1=O 87469630 572503568 /nfs/dbraw/zinc/50/35/68/572503568.db2.gz PGFPZLYCGWBCBO-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN CCc1ccc2c(c1)NC[C@H](C)CO2 62521300 572503659 /nfs/dbraw/zinc/50/36/59/572503659.db2.gz RWBDLORVEZXFMQ-VIFPVBQESA-N 0 0 191.274 2.689 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]1O[C@@H](C)C(C)C 87471094 572503715 /nfs/dbraw/zinc/50/37/15/572503715.db2.gz SZLGSQDBAUMECG-MVWJERBFSA-N 0 0 198.306 2.805 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@@H]1CCCS1 713717586 572503920 /nfs/dbraw/zinc/50/39/20/572503920.db2.gz FWWBZAVPZNJMEZ-SEUFLZDSSA-N 0 0 198.331 2.765 10 0 AFAERN CC(C)[C@H](C)OCC[C@H]1CCCC1=O 87469632 572503934 /nfs/dbraw/zinc/50/39/34/572503934.db2.gz PGFPZLYCGWBCBO-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)[C@H](C)OCC(=O)C(C)(C)C 87469646 572504084 /nfs/dbraw/zinc/50/40/84/572504084.db2.gz BLUWCOQVCRHGMI-VIFPVBQESA-N 0 0 186.295 2.663 10 0 AFAERN CCC[C@H]1CCCC[C@H]1OC(=O)NC 238273266 572504164 /nfs/dbraw/zinc/50/41/64/572504164.db2.gz BNAIBXFSTAHXKA-VHSXEESVSA-N 0 0 199.294 2.701 10 0 AFAERN O[C@H](c1ccco1)C1CC(C2CC2)C1 714463081 572504545 /nfs/dbraw/zinc/50/45/45/572504545.db2.gz ZJLUCHJOOLEWEW-CBINBANVSA-N 0 0 192.258 2.749 10 0 AFAERN CCCCn1cccc1CC[C@@H](C)O 238276760 572505150 /nfs/dbraw/zinc/50/51/50/572505150.db2.gz ZWRYBGZFIPUIES-LLVKDONJSA-N 0 0 195.306 2.602 10 0 AFAERN CC[C@@H](C[C@@H](C)CO)C(C)C 238280074 572509220 /nfs/dbraw/zinc/50/92/20/572509220.db2.gz YQVILLWJJKFUJF-ZJUUUORDSA-N 0 0 158.285 2.687 10 0 AFAERN CC[C@@H](CO)[C@H](F)c1ccccc1 238276488 572504855 /nfs/dbraw/zinc/50/48/55/572504855.db2.gz GEUQARNYGSWDFL-ONGXEEELSA-N 0 0 182.238 2.716 10 0 AFAERN CC[Si](CC)(CC)[C@H](C)CO 238275442 572504867 /nfs/dbraw/zinc/50/48/67/572504867.db2.gz KTULPLLNLYPFPW-SECBINFHSA-N 0 0 174.360 2.877 10 0 AFAERN CCC[C@H]1CC[C@H](CCC)C1O 238276813 572504869 /nfs/dbraw/zinc/50/48/69/572504869.db2.gz RVEBNWVNTDEDCI-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)Nc1n[nH]c2c1CCC[C@H]2C 62668658 572504935 /nfs/dbraw/zinc/50/49/35/572504935.db2.gz XSDGNWKZGWUKQJ-MRVPVSSYSA-N 0 0 193.294 2.670 10 0 AFAERN CSC[C@H](O)CC(C)(C)C(C)C 713267901 572504966 /nfs/dbraw/zinc/50/49/66/572504966.db2.gz RJBQPCUJPIJFOP-SECBINFHSA-N 0 0 190.352 2.783 10 0 AFAERN CCOC(=O)NC[C@H]1CC1(CC)CC 238276543 572504973 /nfs/dbraw/zinc/50/49/73/572504973.db2.gz IISFFONFFCPYCQ-SECBINFHSA-N 0 0 199.294 2.559 10 0 AFAERN CSC[C@@H](O)CC(C)(C)C(C)C 713267905 572505022 /nfs/dbraw/zinc/50/50/22/572505022.db2.gz RJBQPCUJPIJFOP-VIFPVBQESA-N 0 0 190.352 2.783 10 0 AFAERN C/C=C(/[C@@H](CC)CO)[Si](C)(C)C 238276618 572505056 /nfs/dbraw/zinc/50/50/56/572505056.db2.gz XAXSRBYMAFUHTP-CBFJXKFUSA-N 0 0 186.371 2.829 10 0 AFAERN CC1(NCC(F)(F)F)CCCCC1 45045813 572505155 /nfs/dbraw/zinc/50/51/55/572505155.db2.gz YBAYMRNZSVFOGT-UHFFFAOYSA-N 0 0 195.228 2.861 10 0 AFAERN C[C@@H](CO)S[C@@H](C)C1CCCC1 308043032 572505378 /nfs/dbraw/zinc/50/53/78/572505378.db2.gz OEXLRUBZMJUWPU-IUCAKERBSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)(C)Nc1cc(C(C)(C)C)[nH]n1 62669069 572505394 /nfs/dbraw/zinc/50/53/94/572505394.db2.gz UUEMFYGQHGSXMH-UHFFFAOYSA-N 0 0 195.310 2.918 10 0 AFAERN Cc1nocc1-c1csc(C=O)c1 74248358 572505554 /nfs/dbraw/zinc/50/55/54/572505554.db2.gz QGNHHOSWPRCBPO-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CCCCn1c(C)ccc1C(C)=O 238275543 572505663 /nfs/dbraw/zinc/50/56/63/572505663.db2.gz RJWFKLONNISLCC-UHFFFAOYSA-N 0 0 179.263 2.799 10 0 AFAERN O=Cc1cnoc1CC1CCCCC1 74248278 572505677 /nfs/dbraw/zinc/50/56/77/572505677.db2.gz PNHXYCXLDFKVLQ-UHFFFAOYSA-N 0 0 193.246 2.610 10 0 AFAERN CC[C@@H](CO)[C@@H](F)c1ccccc1 238276292 572505686 /nfs/dbraw/zinc/50/56/86/572505686.db2.gz GEUQARNYGSWDFL-GXSJLCMTSA-N 0 0 182.238 2.716 10 0 AFAERN C[C@@H](CO)S[C@H](C)C1CCCC1 308043031 572505689 /nfs/dbraw/zinc/50/56/89/572505689.db2.gz OEXLRUBZMJUWPU-DTWKUNHWSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@](C)(NC(C)C)C(F)(F)F 308043205 572505705 /nfs/dbraw/zinc/50/57/05/572505705.db2.gz OHBXYWJAJBEJTD-ZETCQYMHSA-N 0 0 183.217 2.715 10 0 AFAERN Cc1cnc(-c2csc(C=O)c2)o1 74248362 572505733 /nfs/dbraw/zinc/50/57/33/572505733.db2.gz YXLPVBUECFNEFC-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CCO[C@@](C)(CC)CC(=O)CC 238276275 572505820 /nfs/dbraw/zinc/50/58/20/572505820.db2.gz OQMYTDYTSBNBDQ-JTQLQIEISA-N 0 0 172.268 2.561 10 0 AFAERN Cc1nc(F)c(Cl)cc1Cl 62701856 572506005 /nfs/dbraw/zinc/50/60/05/572506005.db2.gz JKVCEILUZYQNOW-UHFFFAOYSA-N 0 0 180.009 2.836 10 0 AFAERN CCC[C@@H]1CC[C@H](O)[C@@H]1CCC 308043521 572506092 /nfs/dbraw/zinc/50/60/92/572506092.db2.gz OJHVKFWHUOTTLN-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)CNc1cc(C(C)C)[nH]n1 62669383 572506116 /nfs/dbraw/zinc/50/61/16/572506116.db2.gz NTKDVUYINUWGIK-UHFFFAOYSA-N 0 0 181.283 2.601 10 0 AFAERN CCOC(=O)NC[C@@H]1CC1(CC)CC 238275935 572506170 /nfs/dbraw/zinc/50/61/70/572506170.db2.gz IISFFONFFCPYCQ-VIFPVBQESA-N 0 0 199.294 2.559 10 0 AFAERN Cc1cc(-c2csc(C=O)c2)no1 74248363 572506228 /nfs/dbraw/zinc/50/62/28/572506228.db2.gz QJZZXLGEVWPPDA-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CCSC(=O)N(C)C/C=C/Cl 238275490 572506297 /nfs/dbraw/zinc/50/62/97/572506297.db2.gz LMBIXDWXQYAKDE-SNAWJCMRSA-N 0 0 193.699 2.544 10 0 AFAERN CCC[C@@H]1NC(=O)C1(CCC)CCC 238276639 572506305 /nfs/dbraw/zinc/50/63/05/572506305.db2.gz DDJBHJKTABJHNE-JTQLQIEISA-N 0 0 197.322 2.872 10 0 AFAERN CCC[C@@H]1[C@@H](O)CC[C@H]1CCC 308043523 572506366 /nfs/dbraw/zinc/50/63/66/572506366.db2.gz OJHVKFWHUOTTLN-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1oc(C=O)cc1-c1nccs1 74248377 572506624 /nfs/dbraw/zinc/50/66/24/572506624.db2.gz NNBHZYMFQNBUHF-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(C)(C)c1ccc(C=O)cc1F 196809838 572506661 /nfs/dbraw/zinc/50/66/61/572506661.db2.gz LDRUWSURFNHZRE-UHFFFAOYSA-N 0 0 180.222 2.936 10 0 AFAERN Cc1oc(C=O)cc1-c1cncs1 74248376 572506738 /nfs/dbraw/zinc/50/67/38/572506738.db2.gz PRHBYTATLMGABG-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1cc(N[C@H]2CC2(C)C)ccc1N 45117884 572506808 /nfs/dbraw/zinc/50/68/08/572506808.db2.gz MIJLLZDZDJMWTA-NSHDSACASA-N 0 0 190.290 2.788 10 0 AFAERN CCc1ccc(C[C@H](C)CO)c(C)c1 238273720 572506855 /nfs/dbraw/zinc/50/68/55/572506855.db2.gz OCQUPADEFGPJRY-JTQLQIEISA-N 0 0 192.302 2.728 10 0 AFAERN CC[C@@H](CC(C)C)c1cc(N)on1 308043567 572506864 /nfs/dbraw/zinc/50/68/64/572506864.db2.gz CZKGIRJNAHMJBU-QMMMGPOBSA-N 0 0 182.267 2.797 10 0 AFAERN CC[C@@H](O)[C@@H](SC)c1ccccc1 238276162 572507132 /nfs/dbraw/zinc/50/71/32/572507132.db2.gz DDJRBIGKTPEBRO-MNOVXSKESA-N 0 0 196.315 2.862 10 0 AFAERN Cc1oc(C=O)cc1-c1cscn1 74248365 572506952 /nfs/dbraw/zinc/50/69/52/572506952.db2.gz ZIPAMMXGJFULSP-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1nocc1-c1ccsc1C=O 74248369 572506957 /nfs/dbraw/zinc/50/69/57/572506957.db2.gz NTHIFVGVMGNKBT-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(C)Nc1n[nH]c2c1CCC[C@@H]2C 62668661 572507069 /nfs/dbraw/zinc/50/70/69/572507069.db2.gz XSDGNWKZGWUKQJ-QMMMGPOBSA-N 0 0 193.294 2.670 10 0 AFAERN CN(CC(C)(C)C)c1cccc(N)c1 45070728 572508959 /nfs/dbraw/zinc/50/89/59/572508959.db2.gz PKDRHPFROSXYMD-UHFFFAOYSA-N 0 0 192.306 2.751 10 0 AFAERN CCC[C@@H]1CC[C@@H](O)[C@@H]1CCC 308043520 572507349 /nfs/dbraw/zinc/50/73/49/572507349.db2.gz OJHVKFWHUOTTLN-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ncc(-c2ccsc2C=O)o1 74248368 572507417 /nfs/dbraw/zinc/50/74/17/572507417.db2.gz JNCYIIVZLNASHB-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CCc1ccc(CC)c([C@H](C)O)c1 62718942 572509889 /nfs/dbraw/zinc/50/98/89/572509889.db2.gz OPPKZBFEJVBKMN-VIFPVBQESA-N 0 0 178.275 2.865 10 0 AFAERN Cc1cc(N[C@@H]2CC2(C)C)ccc1N 45117882 572507460 /nfs/dbraw/zinc/50/74/60/572507460.db2.gz MIJLLZDZDJMWTA-LLVKDONJSA-N 0 0 190.290 2.788 10 0 AFAERN CCCNc1cc(C2CCCC2)[nH]n1 62668249 572507469 /nfs/dbraw/zinc/50/74/69/572507469.db2.gz NTBKWWBSJSQSBG-UHFFFAOYSA-N 0 0 193.294 2.889 10 0 AFAERN Cc1ncoc1-c1ccsc1C=O 74248364 572507475 /nfs/dbraw/zinc/50/74/75/572507475.db2.gz IQSYEOCVSNXTQP-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CN(CC(C)(C)C)c1ccccc1N 45071000 572507477 /nfs/dbraw/zinc/50/74/77/572507477.db2.gz RQYIKWDJXUWMSV-UHFFFAOYSA-N 0 0 192.306 2.751 10 0 AFAERN CC[C@@H](C)c1cc(NC(C)C)n[nH]1 62668586 572507485 /nfs/dbraw/zinc/50/74/85/572507485.db2.gz HOPPVXFFBUIDLX-MRVPVSSYSA-N 0 0 181.283 2.744 10 0 AFAERN CC[Si](CC)(CC)[C@@H](C)CO 238275295 572507695 /nfs/dbraw/zinc/50/76/95/572507695.db2.gz KTULPLLNLYPFPW-VIFPVBQESA-N 0 0 174.360 2.877 10 0 AFAERN CCC[C@@H]1C[C@H](O)OC1(CC)CC 238275740 572507703 /nfs/dbraw/zinc/50/77/03/572507703.db2.gz RPHNPQDFWCIBBJ-NXEZZACHSA-N 0 0 186.295 2.700 10 0 AFAERN CC[C@@H](CC(C)C)c1nc(N)ns1 308043165 572507736 /nfs/dbraw/zinc/50/77/36/572507736.db2.gz CSTIWNPPVHRCGC-ZETCQYMHSA-N 0 0 199.323 2.660 10 0 AFAERN Cc1cnoc1-c1ccsc1C=O 74248351 572507905 /nfs/dbraw/zinc/50/79/05/572507905.db2.gz KWTANNSCFKSRGD-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CCCC/C(CO)=C(\C)Cl 307781484 572508091 /nfs/dbraw/zinc/50/80/91/572508091.db2.gz DBQPROKLCYHPLP-FPLPWBNLSA-N 0 0 162.660 2.682 10 0 AFAERN Cc1ncc(-c2csc(C=O)c2)o1 74248360 572508158 /nfs/dbraw/zinc/50/81/58/572508158.db2.gz HNBZRGCRSLBXGG-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1ncoc1-c1csc(C=O)c1 74248359 572508264 /nfs/dbraw/zinc/50/82/64/572508264.db2.gz UDUBIVUFDDFRIX-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1ccc(-c2ocnc2C=O)s1 74248354 572508282 /nfs/dbraw/zinc/50/82/82/572508282.db2.gz OHJGCMRLJNZREI-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC1(C)C[C@@H]1Nc1cccc(F)c1N 45118049 572508390 /nfs/dbraw/zinc/50/83/90/572508390.db2.gz GOWADQBAEQSNBV-VIFPVBQESA-N 0 0 194.253 2.618 10 0 AFAERN Cc1cnc(-c2ccsc2C=O)o1 74248367 572508514 /nfs/dbraw/zinc/50/85/14/572508514.db2.gz WTDAOMIQVMZURP-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN C[C@H](S[C@H](C)CO)C1CCCC1 308043030 572508535 /nfs/dbraw/zinc/50/85/35/572508535.db2.gz OEXLRUBZMJUWPU-BDAKNGLRSA-N 0 0 188.336 2.679 10 0 AFAERN CCCCC/C=C/[C@@H](O)C(F)F 308043054 572508673 /nfs/dbraw/zinc/50/86/73/572508673.db2.gz OFVRSAGZNQTRIG-HYDMIIDASA-N 0 0 178.222 2.749 10 0 AFAERN COC(=N)C(C)(C)c1ccccc1 62773622 572508740 /nfs/dbraw/zinc/50/87/40/572508740.db2.gz ABXWNDLJKWIFPP-UHFFFAOYSA-N 0 0 177.247 2.588 10 0 AFAERN CC1(C)C[C@H]1Nc1ccc(F)cc1N 45117685 572508812 /nfs/dbraw/zinc/50/88/12/572508812.db2.gz WGHNZNMMNJUMDE-SNVBAGLBSA-N 0 0 194.253 2.618 10 0 AFAERN CCC[C@@H]1[C@H](O)CC[C@H]1CCC 308043522 572508912 /nfs/dbraw/zinc/50/89/12/572508912.db2.gz OJHVKFWHUOTTLN-OUAUKWLOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](CC(C)C)c1cc(N)on1 308043566 572508970 /nfs/dbraw/zinc/50/89/70/572508970.db2.gz CZKGIRJNAHMJBU-MRVPVSSYSA-N 0 0 182.267 2.797 10 0 AFAERN CCCc1cc[nH]c1SC(C)=O 238278943 572509045 /nfs/dbraw/zinc/50/90/45/572509045.db2.gz YNDCGWYNLKIBKY-UHFFFAOYSA-N 0 0 183.276 2.606 10 0 AFAERN Cc1cc(N)ccc1N[C@H]1CC1(C)C 45117756 572509058 /nfs/dbraw/zinc/50/90/58/572509058.db2.gz QXQQYJFHNJLLPY-NSHDSACASA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@H](CC(C)C)c1nc(N)ns1 308043163 572509088 /nfs/dbraw/zinc/50/90/88/572509088.db2.gz CSTIWNPPVHRCGC-SSDOTTSWSA-N 0 0 199.323 2.660 10 0 AFAERN CC[C@@](C)(NC(C)C)C(F)(F)F 308043199 572509092 /nfs/dbraw/zinc/50/90/92/572509092.db2.gz OHBXYWJAJBEJTD-SSDOTTSWSA-N 0 0 183.217 2.715 10 0 AFAERN CC1(C)C[C@@H]1Nc1cc(N)cc(F)c1 45118072 572509101 /nfs/dbraw/zinc/50/91/01/572509101.db2.gz ZJDQFSPUKFFEOC-JTQLQIEISA-N 0 0 194.253 2.618 10 0 AFAERN CCCCC/C=C\[C@@H](O)C(F)F 308043058 572509124 /nfs/dbraw/zinc/50/91/24/572509124.db2.gz OFVRSAGZNQTRIG-NFXKFNAJSA-N 0 0 178.222 2.749 10 0 AFAERN C[C@H](CO)S[C@H](C)C1CCCC1 308043033 572509134 /nfs/dbraw/zinc/50/91/34/572509134.db2.gz OEXLRUBZMJUWPU-RKDXNWHRSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@@H]1Nc2ccccc2-c2nccn21 238278840 572509236 /nfs/dbraw/zinc/50/92/36/572509236.db2.gz HBAAQTXNFBUVKE-LLVKDONJSA-N 0 0 199.257 2.884 10 0 AFAERN CC1(C)C[C@H]1Nc1cccc(F)c1N 45118051 572509395 /nfs/dbraw/zinc/50/93/95/572509395.db2.gz GOWADQBAEQSNBV-SECBINFHSA-N 0 0 194.253 2.618 10 0 AFAERN CC(C)[C@H](O)C1(c2ccccc2)CC1 62780735 572509577 /nfs/dbraw/zinc/50/95/77/572509577.db2.gz NEHLRICOKGCIDG-LBPRGKRZSA-N 0 0 190.286 2.735 10 0 AFAERN Cc1ccc(N[C@H]2CC2(C)C)c(N)c1 45117809 572509624 /nfs/dbraw/zinc/50/96/24/572509624.db2.gz MPKYDIGOHPFIBQ-NSHDSACASA-N 0 0 190.290 2.788 10 0 AFAERN CCOC(=N)CCNc1ccccc1 238277203 572509626 /nfs/dbraw/zinc/50/96/26/572509626.db2.gz FDAKCCHZEQBOGW-UHFFFAOYSA-N 0 0 192.262 2.502 10 0 AFAERN Cc1cc(N)ccc1N[C@@H]1CC1(C)C 45117754 572509713 /nfs/dbraw/zinc/50/97/13/572509713.db2.gz QXQQYJFHNJLLPY-LLVKDONJSA-N 0 0 190.290 2.788 10 0 AFAERN CC/C(=C/CCc1ccoc1)CO 238280131 572509790 /nfs/dbraw/zinc/50/97/90/572509790.db2.gz NRIJPMJOZOZFAO-WMZJFQQLSA-N 0 0 180.247 2.541 10 0 AFAERN CC1(C)C[C@@H]1Nc1ccc(N)cc1F 45117728 572509823 /nfs/dbraw/zinc/50/98/23/572509823.db2.gz FIOLZNMHWFMGQC-JTQLQIEISA-N 0 0 194.253 2.618 10 0 AFAERN CCc1ccc(CC)c([C@@H](C)O)c1 62718939 572509862 /nfs/dbraw/zinc/50/98/62/572509862.db2.gz OPPKZBFEJVBKMN-SECBINFHSA-N 0 0 178.275 2.865 10 0 AFAERN O=Cc1occ2c1O[C@H]1CCCC[C@@H]21 74270573 572509993 /nfs/dbraw/zinc/50/99/93/572509993.db2.gz BHVZQDMACPLPRS-CBAPKCEASA-N 0 0 192.214 2.511 10 0 AFAERN O=Cc1occ2c1O[C@H]1CCCC[C@H]21 74270568 572510291 /nfs/dbraw/zinc/51/02/91/572510291.db2.gz BHVZQDMACPLPRS-APPZFPTMSA-N 0 0 192.214 2.511 10 0 AFAERN CC1(C)C[C@@H]1n1cc[nH]c1=S 45135752 572510302 /nfs/dbraw/zinc/51/03/02/572510302.db2.gz KBOJUOILPSXVMU-LURJTMIESA-N 0 0 168.265 2.517 10 0 AFAERN CC(=O)c1ccc(F)cc1OC(C)C 62748146 572510382 /nfs/dbraw/zinc/51/03/82/572510382.db2.gz HSTKZANDHWKVBW-UHFFFAOYSA-N 0 0 196.221 2.816 10 0 AFAERN CCSC(=S)NCCC(C)C 238278146 572510517 /nfs/dbraw/zinc/51/05/17/572510517.db2.gz UNGOVMKNSGKMMZ-UHFFFAOYSA-N 0 0 191.365 2.660 10 0 AFAERN Cc1ccc(N[C@H]2CC2(C)C)nc1 45135734 572510630 /nfs/dbraw/zinc/51/06/30/572510630.db2.gz USMXHQQEQYFDHG-VIFPVBQESA-N 0 0 176.263 2.600 10 0 AFAERN CC[C@@H](O)[C@H](C)C=C=C[Si](C)(C)C 238278347 572510639 /nfs/dbraw/zinc/51/06/39/572510639.db2.gz YXVHHHMRHOUSRB-ABCCIZJZSA-N 0 0 198.382 2.982 10 0 AFAERN C[C@@H](c1ccno1)C(C)(C)C 196487593 572510649 /nfs/dbraw/zinc/51/06/49/572510649.db2.gz NOGRMJIHTVUAOW-ZETCQYMHSA-N 0 0 153.225 2.824 10 0 AFAERN C[C@H](CCO)SCC=C1CCC1 308045799 572512998 /nfs/dbraw/zinc/51/29/98/572512998.db2.gz PJISBACLIBCLDY-SECBINFHSA-N 0 0 186.320 2.601 10 0 AFAERN Cc1cc(C=O)sc1-n1cccc1 74272225 572510889 /nfs/dbraw/zinc/51/08/89/572510889.db2.gz FCUSCFNDNCACLV-UHFFFAOYSA-N 0 0 191.255 2.660 10 0 AFAERN Cc1c(N)cccc1N[C@H]1CC1(C)C 62725250 572510953 /nfs/dbraw/zinc/51/09/53/572510953.db2.gz QIVYGYVGSNCFJU-NSHDSACASA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H](O)[C@H](C)Sc1ccccc1 238278601 572510995 /nfs/dbraw/zinc/51/09/95/572510995.db2.gz MHHVSKFGTYPXKT-GXSJLCMTSA-N 0 0 196.315 2.938 10 0 AFAERN CC(C)[C@@H](O)C1(c2ccccc2)CC1 62780736 572511024 /nfs/dbraw/zinc/51/10/24/572511024.db2.gz NEHLRICOKGCIDG-GFCCVEGCSA-N 0 0 190.286 2.735 10 0 AFAERN CC[C@@H](CC(C)C)c1cc(N)no1 308045645 572511100 /nfs/dbraw/zinc/51/11/00/572511100.db2.gz GCGHCEPXIJQRQE-QMMMGPOBSA-N 0 0 182.267 2.797 10 0 AFAERN C[C@@H]1CC(=O)[C@H](c2ccccc2)C1 196492624 572511157 /nfs/dbraw/zinc/51/11/57/572511157.db2.gz DNRNAHIZSIMBIJ-ONGXEEELSA-N 0 0 174.243 2.769 10 0 AFAERN CCC[C@@H]1C(=O)Cc2ccccc21 196492583 572511311 /nfs/dbraw/zinc/51/13/11/572511311.db2.gz XDPPWHMJRXPOCF-NSHDSACASA-N 0 0 174.243 2.696 10 0 AFAERN O=Cc1occ2c1O[C@@H]1CCCC[C@H]21 74270571 572511349 /nfs/dbraw/zinc/51/13/49/572511349.db2.gz BHVZQDMACPLPRS-VXNVDRBHSA-N 0 0 192.214 2.511 10 0 AFAERN C/C=C(\CCO)CCCC 307782967 572511517 /nfs/dbraw/zinc/51/15/17/572511517.db2.gz FAYMHHKFBTWTII-WTKPLQERSA-N 0 0 142.242 2.505 10 0 AFAERN C[C@@H]1CC(=O)[C@@H](c2ccccc2)C1 196492609 572513017 /nfs/dbraw/zinc/51/30/17/572513017.db2.gz DNRNAHIZSIMBIJ-GXSJLCMTSA-N 0 0 174.243 2.769 10 0 AFAERN C[C@H]1CC(=O)[C@H](c2ccccc2)C1 196492615 572511577 /nfs/dbraw/zinc/51/15/77/572511577.db2.gz DNRNAHIZSIMBIJ-KOLCDFICSA-N 0 0 174.243 2.769 10 0 AFAERN CC[C@H](CC(C)C)c1cc(N)no1 308045644 572513026 /nfs/dbraw/zinc/51/30/26/572513026.db2.gz GCGHCEPXIJQRQE-MRVPVSSYSA-N 0 0 182.267 2.797 10 0 AFAERN CCC(=O)C1(c2ccccc2)CC1 62780437 572511764 /nfs/dbraw/zinc/51/17/64/572511764.db2.gz JYCPTVPOCKQLCZ-UHFFFAOYSA-N 0 0 174.243 2.697 10 0 AFAERN CC[C@H](C)N(CC)CC(F)(F)F 308045798 572511811 /nfs/dbraw/zinc/51/18/11/572511811.db2.gz PJIKCFUQAVDLKH-ZETCQYMHSA-N 0 0 183.217 2.669 10 0 AFAERN Cc1cscc1-c1ccc(C=O)[nH]1 74272217 572511998 /nfs/dbraw/zinc/51/19/98/572511998.db2.gz BOXVCQOVESROSN-UHFFFAOYSA-N 0 0 191.255 2.864 10 0 AFAERN O=Cc1c[nH]cc1CC1CCCCC1 74272082 572512014 /nfs/dbraw/zinc/51/20/14/572512014.db2.gz QSOYGAZWRLRCIK-UHFFFAOYSA-N 0 0 191.274 2.950 10 0 AFAERN CC[C@@H](C)N(CC)CC(F)(F)F 308045797 572512046 /nfs/dbraw/zinc/51/20/46/572512046.db2.gz PJIKCFUQAVDLKH-SSDOTTSWSA-N 0 0 183.217 2.669 10 0 AFAERN CC[C@H](O)c1cc2ccccc2o1 62797373 572512159 /nfs/dbraw/zinc/51/21/59/572512159.db2.gz MQOQWAWXUCJNOP-VIFPVBQESA-N 0 0 176.215 2.876 10 0 AFAERN CCC(=O)CSC1CCCC1 62830069 572512222 /nfs/dbraw/zinc/51/22/22/572512222.db2.gz AFROTZQTKFXRRT-UHFFFAOYSA-N 0 0 172.293 2.641 10 0 AFAERN C=C/C=C\Cc1ccccc1C=O 308046852 572514313 /nfs/dbraw/zinc/51/43/13/572514313.db2.gz HCQYFMZBHGXEMY-ARJAWSKDSA-N 0 0 172.227 2.784 10 0 AFAERN CC[C@H](O)c1ccc2ncccc2c1 62801890 572512445 /nfs/dbraw/zinc/51/24/45/572512445.db2.gz CYCFJSPGZKGRKN-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN CCOC(=O)N[C@@H](CC)[C@@H](C)CC 238279290 572512459 /nfs/dbraw/zinc/51/24/59/572512459.db2.gz SXDYCDYQDZSNOE-IUCAKERBSA-N 0 0 187.283 2.557 10 0 AFAERN C=C/C=C\CCn1cccc1 713718817 572512604 /nfs/dbraw/zinc/51/26/04/572512604.db2.gz MIBUJGUTENEWJB-ARJAWSKDSA-N 0 0 147.221 2.620 10 0 AFAERN C=C/C=C/CCn1cccc1 713718820 572513062 /nfs/dbraw/zinc/51/30/62/572513062.db2.gz MIBUJGUTENEWJB-ONEGZZNKSA-N 0 0 147.221 2.620 10 0 AFAERN Cc1ccc(N[C@@H]2CC2(C)C)nc1 45135733 572513071 /nfs/dbraw/zinc/51/30/71/572513071.db2.gz USMXHQQEQYFDHG-SECBINFHSA-N 0 0 176.263 2.600 10 0 AFAERN C[C@@H](CCO)SCC=C1CCC1 308045800 572513078 /nfs/dbraw/zinc/51/30/78/572513078.db2.gz PJISBACLIBCLDY-VIFPVBQESA-N 0 0 186.320 2.601 10 0 AFAERN CC/C(=C/Cc1ccccc1)CCO 238279899 572513165 /nfs/dbraw/zinc/51/31/65/572513165.db2.gz GWXFZZNVZNFDCF-WQLSENKSSA-N 0 0 190.286 2.948 10 0 AFAERN Cc1sc(-n2cccc2)cc1C=O 74272228 572513213 /nfs/dbraw/zinc/51/32/13/572513213.db2.gz SGYPROLRULQVIS-UHFFFAOYSA-N 0 0 191.255 2.660 10 0 AFAERN Cc1cc(C=O)c(C)n1[C@H]1CC1(C)C 45135285 572513405 /nfs/dbraw/zinc/51/34/05/572513405.db2.gz IUYBJEAWKRAPBP-NSHDSACASA-N 0 0 191.274 2.888 10 0 AFAERN CCOC(=O)N[C@@H](CC)[C@H](C)CC 238279322 572513601 /nfs/dbraw/zinc/51/36/01/572513601.db2.gz SXDYCDYQDZSNOE-BDAKNGLRSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@@H](C[C@@H](C)O)c1ccc(C)o1 238280267 572513605 /nfs/dbraw/zinc/51/36/05/572513605.db2.gz XAHYJPAKJIAAFW-SCZZXKLOSA-N 0 0 182.263 2.853 10 0 AFAERN CCC[C@H]1C(=O)Cc2ccccc21 196492568 572513680 /nfs/dbraw/zinc/51/36/80/572513680.db2.gz XDPPWHMJRXPOCF-LLVKDONJSA-N 0 0 174.243 2.696 10 0 AFAERN Cc1csc(N[C@@H]2CC2(C)C)n1 45135727 572513696 /nfs/dbraw/zinc/51/36/96/572513696.db2.gz MAIZMCXEASARBK-SSDOTTSWSA-N 0 0 182.292 2.662 10 0 AFAERN C[C@H]1CC(=O)[C@@H](c2ccccc2)C1 196492600 572513729 /nfs/dbraw/zinc/51/37/29/572513729.db2.gz DNRNAHIZSIMBIJ-MWLCHTKSSA-N 0 0 174.243 2.769 10 0 AFAERN Cc1csc(-c2ccc(C=O)[nH]2)c1 74272234 572513763 /nfs/dbraw/zinc/51/37/63/572513763.db2.gz XFBODVOEBYUPEZ-UHFFFAOYSA-N 0 0 191.255 2.864 10 0 AFAERN C/C=C(/CC)CCCCCO 238279812 572514271 /nfs/dbraw/zinc/51/42/71/572514271.db2.gz LXDVZULGRZZELD-KMKOMSMNSA-N 0 0 156.269 2.895 10 0 AFAERN CC[C@@H](O)C1(c2ccccc2)CCC1 62780936 572514516 /nfs/dbraw/zinc/51/45/16/572514516.db2.gz GCJMCRPDWLGSFT-GFCCVEGCSA-N 0 0 190.286 2.879 10 0 AFAERN CCOC(=O)N[C@@H](CC)CC(C)C 238279178 572514582 /nfs/dbraw/zinc/51/45/82/572514582.db2.gz SQTCTGPPRKRNSS-VIFPVBQESA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@@H](O)c1cc2ccccc2o1 62797374 572514839 /nfs/dbraw/zinc/51/48/39/572514839.db2.gz MQOQWAWXUCJNOP-SECBINFHSA-N 0 0 176.215 2.876 10 0 AFAERN Cc1ccc(-c2ccc(C=O)[nH]2)s1 74272232 572515125 /nfs/dbraw/zinc/51/51/25/572515125.db2.gz LVHXIWWOAOTQBD-UHFFFAOYSA-N 0 0 191.255 2.864 10 0 AFAERN CCCc1ccc(C(=O)CC)c(O)c1 238279154 572515176 /nfs/dbraw/zinc/51/51/76/572515176.db2.gz OQEXGXCDGFWVSV-UHFFFAOYSA-N 0 0 192.258 2.937 10 0 AFAERN CC[C@@H](C[C@@H](C)O)c1ccco1 238280304 572515200 /nfs/dbraw/zinc/51/52/00/572515200.db2.gz WOETWRSDTMJIEB-BDAKNGLRSA-N 0 0 168.236 2.544 10 0 AFAERN Cc1nc2ccccc2cc1[C@@H](C)O 196493891 572515413 /nfs/dbraw/zinc/51/54/13/572515413.db2.gz WPDKTSQNQIEJOQ-SECBINFHSA-N 0 0 187.242 2.597 10 0 AFAERN CC(=O)C1[C@@H](C)CC(C)C[C@@H]1C 196494747 572515555 /nfs/dbraw/zinc/51/55/55/572515555.db2.gz CSAFHMKXGOUUCD-QMFGVRBNSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H](O)C1(c2ccccc2)CCC1 62780935 572515677 /nfs/dbraw/zinc/51/56/77/572515677.db2.gz GCJMCRPDWLGSFT-LBPRGKRZSA-N 0 0 190.286 2.879 10 0 AFAERN CCCCC[C@](O)(COC)C(C)C 87496757 572515812 /nfs/dbraw/zinc/51/58/12/572515812.db2.gz FARMDUCLKBVDLF-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN Nc1cc(O)ccc1C1CCCC1 117262830 572515918 /nfs/dbraw/zinc/51/59/18/572515918.db2.gz RGIJUOMHHKCEMG-UHFFFAOYSA-N 0 0 177.247 2.632 10 0 AFAERN CCCc1ccc(C(=O)CC)o1 238279172 572515957 /nfs/dbraw/zinc/51/59/57/572515957.db2.gz XNHDIDPFODJZJQ-UHFFFAOYSA-N 0 0 166.220 2.825 10 0 AFAERN Cc1nc2ccccc2cc1[C@H](C)O 196493903 572516158 /nfs/dbraw/zinc/51/61/58/572516158.db2.gz WPDKTSQNQIEJOQ-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN CC(=O)C1[C@H](C)CC(C)C[C@H]1C 196494737 572516162 /nfs/dbraw/zinc/51/61/62/572516162.db2.gz CSAFHMKXGOUUCD-VCZAYRLQSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H](C)c1nc(C)c([C@@H](O)CC)[nH]1 238282776 572516406 /nfs/dbraw/zinc/51/64/06/572516406.db2.gz JLHFVJMSLVPNDE-CBAPKCEASA-N 0 0 196.294 2.675 10 0 AFAERN CC[C@@H](C[C@H](C)O)c1ccc(C)o1 238281133 572516420 /nfs/dbraw/zinc/51/64/20/572516420.db2.gz XAHYJPAKJIAAFW-WPRPVWTQSA-N 0 0 182.263 2.853 10 0 AFAERN Cc1oc2oc(C(C)C)nc2c1C=O 74267776 572516443 /nfs/dbraw/zinc/51/64/43/572516443.db2.gz WBLRFPBIJUYVSO-UHFFFAOYSA-N 0 0 193.202 2.665 10 0 AFAERN C/C=C\c1ccccc1NC(C)=O 308051909 572516477 /nfs/dbraw/zinc/51/64/77/572516477.db2.gz MBOAQYOVJDPKMN-UTCJRWHESA-N 0 0 175.231 2.678 10 0 AFAERN CCCC/C=C/C(=O)NC(C)(C)C 308046979 572516490 /nfs/dbraw/zinc/51/64/90/572516490.db2.gz DIAHPIQJEWCCLO-CMDGGOBGSA-N 0 0 183.295 2.648 10 0 AFAERN CCCc1ccc(OCC)cc1O 238283058 572516543 /nfs/dbraw/zinc/51/65/43/572516543.db2.gz ICNBOVXFPLHCAI-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN CCCCC[C@@](O)(COC)C(C)C 87496753 572516592 /nfs/dbraw/zinc/51/65/92/572516592.db2.gz FARMDUCLKBVDLF-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@H](O)/C=C/Cc1ccccc1 238282821 572516809 /nfs/dbraw/zinc/51/68/09/572516809.db2.gz ONKDFOHMGZYFDZ-GCZGVDRJSA-N 0 0 176.259 2.556 10 0 AFAERN CC[C@@H](C[C@H](C)CO)C(C)C 238280952 572517067 /nfs/dbraw/zinc/51/70/67/572517067.db2.gz YQVILLWJJKFUJF-UWVGGRQHSA-N 0 0 158.285 2.687 10 0 AFAERN Cc1csc([C@H](O)CCC2CC2)n1 235954356 572517163 /nfs/dbraw/zinc/51/71/63/572517163.db2.gz WIKMEXYDELKFFR-SECBINFHSA-N 0 0 197.303 2.675 10 0 AFAERN CCc1nc2cc(C)c(N)cc2s1 74268498 572517231 /nfs/dbraw/zinc/51/72/31/572517231.db2.gz CHMBAYOMQSINND-UHFFFAOYSA-N 0 0 192.287 2.749 10 0 AFAERN Nc1c(C2CCCC2)noc1C1CC1 74268990 572517296 /nfs/dbraw/zinc/51/72/96/572517296.db2.gz KYNBBTOWZKXHMU-UHFFFAOYSA-N 0 0 192.262 2.792 10 0 AFAERN CC[C@H](C)c1ncncc1OC(C)C 238283502 572517297 /nfs/dbraw/zinc/51/72/97/572517297.db2.gz JAJFCJNLTJDICK-VIFPVBQESA-N 0 0 194.278 2.777 10 0 AFAERN CC[C@@H](C[C@H](C)O)c1ccco1 238281167 572517358 /nfs/dbraw/zinc/51/73/58/572517358.db2.gz WOETWRSDTMJIEB-IUCAKERBSA-N 0 0 168.236 2.544 10 0 AFAERN CC[C@@H](O)/C=C/CCc1ccccc1 238282770 572517519 /nfs/dbraw/zinc/51/75/19/572517519.db2.gz STAQOHHLDGOZMI-SVTZGKHISA-N 0 0 190.286 2.946 10 0 AFAERN CC/C(=C/CO)Cc1ccccc1 238280426 572517634 /nfs/dbraw/zinc/51/76/34/572517634.db2.gz FEVYEELVYJHWJQ-FLIBITNWSA-N 0 0 176.259 2.558 10 0 AFAERN CC[C@H](C)c1ncncc1OC1CC1 238283519 572517648 /nfs/dbraw/zinc/51/76/48/572517648.db2.gz OEKOOJCRADGADD-QMMMGPOBSA-N 0 0 192.262 2.531 10 0 AFAERN CC[C@H](C)c1nc(C)c([C@H](O)CC)[nH]1 238282793 572517704 /nfs/dbraw/zinc/51/77/04/572517704.db2.gz JLHFVJMSLVPNDE-IONNQARKSA-N 0 0 196.294 2.675 10 0 AFAERN CC[C@@H](C[C@@H](C)CC(C)C)C(N)=O 238280012 572517983 /nfs/dbraw/zinc/51/79/83/572517983.db2.gz ODEARDUCHHLJFX-UWVGGRQHSA-N 0 0 185.311 2.570 10 0 AFAERN CCO[C@H](C)C[C@H](O)c1ccccc1 238280806 572518016 /nfs/dbraw/zinc/51/80/16/572518016.db2.gz JYVFEIXTRYAOCD-PWSUYJOCSA-N 0 0 194.274 2.535 10 0 AFAERN CC[C@@H](Cc1ccccc1NC)OC 238282491 572518140 /nfs/dbraw/zinc/51/81/40/572518140.db2.gz FCPNFQUYJIBKFB-NSHDSACASA-N 0 0 193.290 2.696 10 0 AFAERN CCCc1ccc(C[C@H](C)CO)s1 238280894 572518186 /nfs/dbraw/zinc/51/81/86/572518186.db2.gz CRKBCRJAIRIABX-VIFPVBQESA-N 0 0 198.331 2.872 10 0 AFAERN CC[C@@H](O)[C@H](SC)c1ccccc1 238279924 572518242 /nfs/dbraw/zinc/51/82/42/572518242.db2.gz DDJRBIGKTPEBRO-GHMZBOCLSA-N 0 0 196.315 2.862 10 0 AFAERN CCO[C@H](C)C[C@@H](O)c1ccccc1 238280609 572518514 /nfs/dbraw/zinc/51/85/14/572518514.db2.gz JYVFEIXTRYAOCD-ZYHUDNBSSA-N 0 0 194.274 2.535 10 0 AFAERN CCC[C@@H]1[C@H](CO)[C@@H]1c1ccccc1 238283063 572519049 /nfs/dbraw/zinc/51/90/49/572519049.db2.gz SSCBQHRJCXFICD-FRRDWIJNSA-N 0 0 190.286 2.809 10 0 AFAERN CS[C@@H]1CCC[C@H]1n1cccc1 235113530 572519161 /nfs/dbraw/zinc/51/91/61/572519161.db2.gz OWLDMDMTEFWAAO-NXEZZACHSA-N 0 0 181.304 2.945 10 0 AFAERN CCCc1ccc(C[C@@H](C)CO)s1 238280794 572519200 /nfs/dbraw/zinc/51/92/00/572519200.db2.gz CRKBCRJAIRIABX-SECBINFHSA-N 0 0 198.331 2.872 10 0 AFAERN C/C(=C/Cl)CS[C@@H](C)CCO 393491660 572519301 /nfs/dbraw/zinc/51/93/01/572519301.db2.gz VFKCLRFCUWWKMF-TVSKSKRASA-N 0 0 194.727 2.633 10 0 AFAERN Nc1c[nH]c(-c2ccccc2Cl)c1 74268344 572519427 /nfs/dbraw/zinc/51/94/27/572519427.db2.gz KPJWINAVSYDLNG-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN C/C(=C/Cl)CS[C@H](C)CCO 393491657 572519458 /nfs/dbraw/zinc/51/94/58/572519458.db2.gz VFKCLRFCUWWKMF-GRKOMRHMSA-N 0 0 194.727 2.633 10 0 AFAERN Nc1cc[nH]c1-c1ccccc1Cl 74268338 572519543 /nfs/dbraw/zinc/51/95/43/572519543.db2.gz ZCZLUDWEMUWRPJ-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN Cc1cnc(C=O)n1C1CCCCC1 74269137 572519652 /nfs/dbraw/zinc/51/96/52/572519652.db2.gz PBACHHQKUQQKDL-UHFFFAOYSA-N 0 0 192.262 2.509 10 0 AFAERN Nc1c[nH]c(-c2ccc(Cl)cc2)c1 74268343 572519841 /nfs/dbraw/zinc/51/98/41/572519841.db2.gz ZZBLVOUHFCPRTJ-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN CC[C@](O)(c1ccc(C)nc1)C(C)C 62949277 572520051 /nfs/dbraw/zinc/52/00/51/572520051.db2.gz WVQGTSNXHSGVPD-GFCCVEGCSA-N 0 0 193.290 2.644 10 0 AFAERN CC[C@H](C)[C@](C)(O)c1ccc(C)nc1 62949273 572520397 /nfs/dbraw/zinc/52/03/97/572520397.db2.gz QYWIRUYVSMCIFH-CABZTGNLSA-N 0 0 193.290 2.644 10 0 AFAERN CC[C@H](C)[C@@](C)(O)c1ccc(C)nc1 62949275 572521326 /nfs/dbraw/zinc/52/13/26/572521326.db2.gz QYWIRUYVSMCIFH-JOYOIKCWSA-N 0 0 193.290 2.644 10 0 AFAERN Nc1cc2nc(C3CCCC3)oc2o1 74270293 572520701 /nfs/dbraw/zinc/52/07/01/572520701.db2.gz LICWKCWMECBDLL-UHFFFAOYSA-N 0 0 192.218 2.661 10 0 AFAERN C=C/C=C\CCNn1c(C)ccc1C 713719393 572520825 /nfs/dbraw/zinc/52/08/25/572520825.db2.gz KTKRIVKYUQFBAY-WAYWQWQTSA-N 0 0 190.290 2.781 10 0 AFAERN COc1cc(C)cc2c(C=O)coc12 74275179 572520921 /nfs/dbraw/zinc/52/09/21/572520921.db2.gz IRAMIYLMNLMDBQ-UHFFFAOYSA-N 0 0 190.198 2.562 10 0 AFAERN Cc1cc(-c2ccoc2C)oc1C=O 74275187 572520927 /nfs/dbraw/zinc/52/09/27/572520927.db2.gz PDBACICHSGNDIH-UHFFFAOYSA-N 0 0 190.198 2.969 10 0 AFAERN CCOC(=O)N[C@H](CC)[C@H](C)CC 238284655 572521098 /nfs/dbraw/zinc/52/10/98/572521098.db2.gz SXDYCDYQDZSNOE-RKDXNWHRSA-N 0 0 187.283 2.557 10 0 AFAERN Cc1ccc(C(=O)CC(C)C)cn1 62949426 572521197 /nfs/dbraw/zinc/52/11/97/572521197.db2.gz JYUQKNNKODBWKK-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1ccc(C(=O)C2CCCC2)cn1 62949441 572521481 /nfs/dbraw/zinc/52/14/81/572521481.db2.gz UHLSRSCTZRCIHF-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN Cc1ccc(-c2ccc(N)cc2)cn1 62948313 572521505 /nfs/dbraw/zinc/52/15/05/572521505.db2.gz VSFYHIXFYFRNEW-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCOC(=O)N[C@H](CC)CC(C)C 238284555 572521653 /nfs/dbraw/zinc/52/16/53/572521653.db2.gz SQTCTGPPRKRNSS-SECBINFHSA-N 0 0 187.283 2.557 10 0 AFAERN CCOC(=O)N[C@H](CC)[C@@H](C)CC 238284638 572521701 /nfs/dbraw/zinc/52/17/01/572521701.db2.gz SXDYCDYQDZSNOE-DTWKUNHWSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)c1ccc(C)nc1 62949274 572521856 /nfs/dbraw/zinc/52/18/56/572521856.db2.gz QYWIRUYVSMCIFH-BXKDBHETSA-N 0 0 193.290 2.644 10 0 AFAERN CCS[C@@H](C)[C@@H](O)c1ccccc1 238288256 572521860 /nfs/dbraw/zinc/52/18/60/572521860.db2.gz NPKTWJCPBWWBIB-GXSJLCMTSA-N 0 0 196.315 2.862 10 0 AFAERN Cc1ccc2nc([C@H](C)O)sc2c1 45237610 572522156 /nfs/dbraw/zinc/52/21/56/572522156.db2.gz RGYIOPAVGOLSGU-ZETCQYMHSA-N 0 0 193.271 2.658 10 0 AFAERN CCS[C@@H](C)[C@H](O)c1ccccc1 238288328 572522218 /nfs/dbraw/zinc/52/22/18/572522218.db2.gz NPKTWJCPBWWBIB-ONGXEEELSA-N 0 0 196.315 2.862 10 0 AFAERN Cc1ccc(C2(O)CCCCC2)cn1 62949174 572522598 /nfs/dbraw/zinc/52/25/98/572522598.db2.gz WAYKHOIDJULHKV-UHFFFAOYSA-N 0 0 191.274 2.542 10 0 AFAERN CC[C@@H](C)[C@](C)(O)c1ccc(C)nc1 62949272 572522399 /nfs/dbraw/zinc/52/23/99/572522399.db2.gz QYWIRUYVSMCIFH-SKDRFNHKSA-N 0 0 193.290 2.644 10 0 AFAERN CC[C@@](O)(c1ccc(C)nc1)C(C)C 62949276 572522494 /nfs/dbraw/zinc/52/24/94/572522494.db2.gz WVQGTSNXHSGVPD-LBPRGKRZSA-N 0 0 193.290 2.644 10 0 AFAERN Cc1ccc2sc([C@H](C)O)nc2c1 45237557 572522546 /nfs/dbraw/zinc/52/25/46/572522546.db2.gz ZPOHHIIFDYWMFX-ZETCQYMHSA-N 0 0 193.271 2.658 10 0 AFAERN Cc1ccc2sc([C@@H](C)O)nc2c1 45237555 572522832 /nfs/dbraw/zinc/52/28/32/572522832.db2.gz ZPOHHIIFDYWMFX-SSDOTTSWSA-N 0 0 193.271 2.658 10 0 AFAERN c1cc2ccc3scnc3c2cn1 45237793 572522881 /nfs/dbraw/zinc/52/28/81/572522881.db2.gz XTTCFEHYNHIDLO-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN c1cc2ccc3ncsc3c2cn1 45237819 572522917 /nfs/dbraw/zinc/52/29/17/572522917.db2.gz TZEYHTCZIQZAPS-UHFFFAOYSA-N 0 0 186.239 2.845 10 0 AFAERN c1coc(C2Nc3ccccc3N2)c1 45238489 572523123 /nfs/dbraw/zinc/52/31/23/572523123.db2.gz COCQIZXYGDKCHR-UHFFFAOYSA-N 0 0 186.214 2.816 10 0 AFAERN Cc1cccc2sc([C@@H](C)O)nc12 45237553 572523259 /nfs/dbraw/zinc/52/32/59/572523259.db2.gz XNPARMCDUJFLGJ-SSDOTTSWSA-N 0 0 193.271 2.658 10 0 AFAERN Cc1oc(C=O)c(C)c1-c1ccoc1 74275181 572523609 /nfs/dbraw/zinc/52/36/09/572523609.db2.gz PHKUESJSPAWAKR-UHFFFAOYSA-N 0 0 190.198 2.969 10 0 AFAERN Cc1nc2ccc([C@H](C)O)cc2s1 45237967 572523465 /nfs/dbraw/zinc/52/34/65/572523465.db2.gz ABQZCPVYLOKIAO-LURJTMIESA-N 0 0 193.271 2.658 10 0 AFAERN C=C/C=C/CCNn1c(C)ccc1C 713719386 572523543 /nfs/dbraw/zinc/52/35/43/572523543.db2.gz KTKRIVKYUQFBAY-AATRIKPKSA-N 0 0 190.290 2.781 10 0 AFAERN CCO[C@H](CC)Oc1ccccc1O 238286958 572523838 /nfs/dbraw/zinc/52/38/38/572523838.db2.gz MDTTWZZPXWCOLB-NSHDSACASA-N 0 0 196.246 2.544 10 0 AFAERN CCOc1cccc2c(C=O)coc12 74275186 572523930 /nfs/dbraw/zinc/52/39/30/572523930.db2.gz IIPOWWCZQSRIGA-UHFFFAOYSA-N 0 0 190.198 2.644 10 0 AFAERN Cc1cccnc1CC(=O)C(C)(C)C 63023505 572524119 /nfs/dbraw/zinc/52/41/19/572524119.db2.gz PIHHXTTYDSAAIZ-UHFFFAOYSA-N 0 0 191.274 2.548 10 0 AFAERN CCO[C@H](CC)CNc1ccccc1 238286888 572524490 /nfs/dbraw/zinc/52/44/90/572524490.db2.gz IUCANWDJKQTMSD-GFCCVEGCSA-N 0 0 193.290 2.914 10 0 AFAERN CC[C@H](O)CCCc1csc(C)n1 84277330 572524719 /nfs/dbraw/zinc/52/47/19/572524719.db2.gz BFYWHEQFVVTHIJ-JTQLQIEISA-N 0 0 199.319 2.545 10 0 AFAERN CC[C@@H](Cc1csc(C)n1)C(C)=O 84271414 572524824 /nfs/dbraw/zinc/52/48/24/572524824.db2.gz TUNGBRYMWHXNIA-VIFPVBQESA-N 0 0 197.303 2.609 10 0 AFAERN CC(=O)C[C@H](C)OCc1cccs1 84291713 572524924 /nfs/dbraw/zinc/52/49/24/572524924.db2.gz FWJWSTXPNLAZJJ-VIFPVBQESA-N 0 0 198.287 2.632 10 0 AFAERN CC(=O)C[C@@H](C)OCc1cccs1 84291714 572524980 /nfs/dbraw/zinc/52/49/80/572524980.db2.gz FWJWSTXPNLAZJJ-SECBINFHSA-N 0 0 198.287 2.632 10 0 AFAERN CCc1ccc(SOC)cc1 197652385 572525416 /nfs/dbraw/zinc/52/54/16/572525416.db2.gz UNTPBJXDOZYUBS-UHFFFAOYSA-N 0 0 168.261 2.903 10 0 AFAERN Cc1cc(OCC(C)C)c(C)cc1N 62997653 572525307 /nfs/dbraw/zinc/52/53/07/572525307.db2.gz YGIODJWXVWPUCR-UHFFFAOYSA-N 0 0 193.290 2.920 10 0 AFAERN O=Cc1[nH]ccc1-c1ccccc1F 74276485 572525467 /nfs/dbraw/zinc/52/54/67/572525467.db2.gz MAZZOFZZCTYQML-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN CCC[C@H](O)CCc1csc(C)n1 84274677 572525662 /nfs/dbraw/zinc/52/56/62/572525662.db2.gz KXUBZOWFDMVESS-JTQLQIEISA-N 0 0 199.319 2.545 10 0 AFAERN CC(=O)C[C@H](C)Oc1ccc(C)cc1 84290888 572525708 /nfs/dbraw/zinc/52/57/08/572525708.db2.gz MOYXURXHRGQODP-NSHDSACASA-N 0 0 192.258 2.741 10 0 AFAERN CC[C@H](Cc1csc(C)n1)C(C)=O 84271418 572525778 /nfs/dbraw/zinc/52/57/78/572525778.db2.gz TUNGBRYMWHXNIA-SECBINFHSA-N 0 0 197.303 2.609 10 0 AFAERN CC[C@@H](C)C(=O)Cc1csc(C)n1 84273341 572525809 /nfs/dbraw/zinc/52/58/09/572525809.db2.gz UXHMGVOVZGNBHZ-SSDOTTSWSA-N 0 0 197.303 2.609 10 0 AFAERN Cc1cc(-c2ccc(C=O)[nH]2)c(C)o1 74276450 572525859 /nfs/dbraw/zinc/52/58/59/572525859.db2.gz IFKGVVDVCYDVLY-UHFFFAOYSA-N 0 0 189.214 2.704 10 0 AFAERN CCCC(=O)CCc1csc(C)n1 84271361 572525872 /nfs/dbraw/zinc/52/58/72/572525872.db2.gz BUELMQZYVNQEFD-UHFFFAOYSA-N 0 0 197.303 2.753 10 0 AFAERN O=Cc1cc(-c2cccc(F)c2)c[nH]1 74276476 572525891 /nfs/dbraw/zinc/52/58/91/572525891.db2.gz AHWRVOLMLUFSTL-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN Cc1ncc([C@H](O)CCC2CC2)s1 235959715 572526510 /nfs/dbraw/zinc/52/65/10/572526510.db2.gz PBCMPJATNZEQRY-SECBINFHSA-N 0 0 197.303 2.675 10 0 AFAERN CC(=O)C[C@@H](C)Oc1ccc(C)cc1 84290892 572527174 /nfs/dbraw/zinc/52/71/74/572527174.db2.gz MOYXURXHRGQODP-LLVKDONJSA-N 0 0 192.258 2.741 10 0 AFAERN CCC(O)(CC)Cc1csc(C)n1 84272420 572527352 /nfs/dbraw/zinc/52/73/52/572527352.db2.gz SWIABPXNFCAOHD-UHFFFAOYSA-N 0 0 199.319 2.545 10 0 AFAERN CCS[C@@H](O)/C=C/c1ccccc1 238289066 572527471 /nfs/dbraw/zinc/52/74/71/572527471.db2.gz ZXJHQJPTNBFGFU-ANYFNZRUSA-N 0 0 194.299 2.771 10 0 AFAERN CCC[C@@H](O)CCc1csc(C)n1 84274680 572527631 /nfs/dbraw/zinc/52/76/31/572527631.db2.gz KXUBZOWFDMVESS-SNVBAGLBSA-N 0 0 199.319 2.545 10 0 AFAERN Cc1nc(CCC(=O)C(C)C)cs1 84271384 572527779 /nfs/dbraw/zinc/52/77/79/572527779.db2.gz NYZRECMCLNBGAK-UHFFFAOYSA-N 0 0 197.303 2.609 10 0 AFAERN O=Cc1cc(-c2ccccc2)ns1 74275820 572527866 /nfs/dbraw/zinc/52/78/66/572527866.db2.gz NRVLQPZFHLERJE-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN CCS/C=C/C[C@@H](O)C(C)C 238292487 572528150 /nfs/dbraw/zinc/52/81/50/572528150.db2.gz UWPVJUJWBXEESB-VPIOIWJLSA-N 0 0 174.309 2.660 10 0 AFAERN CCC[C@H](CC(C)C)c1cc(N)n[nH]1 308052118 572528264 /nfs/dbraw/zinc/52/82/64/572528264.db2.gz HNWAUXPTYNRDDI-SECBINFHSA-N 0 0 195.310 2.922 10 0 AFAERN CC(=O)C[C@H](C)Cc1csc(C)n1 84276606 572528681 /nfs/dbraw/zinc/52/86/81/572528681.db2.gz XHQPGYNUCWJYTL-ZETCQYMHSA-N 0 0 197.303 2.609 10 0 AFAERN CCC[C@@H](CC(C)C)c1cc(N)n[nH]1 308052119 572528834 /nfs/dbraw/zinc/52/88/34/572528834.db2.gz HNWAUXPTYNRDDI-VIFPVBQESA-N 0 0 195.310 2.922 10 0 AFAERN CC(=O)C[C@@H](C)Cc1csc(C)n1 84276609 572528861 /nfs/dbraw/zinc/52/88/61/572528861.db2.gz XHQPGYNUCWJYTL-SSDOTTSWSA-N 0 0 197.303 2.609 10 0 AFAERN Cc1ncc(C(=O)CCC2CC2)s1 235964004 572528888 /nfs/dbraw/zinc/52/88/88/572528888.db2.gz RAJDYEDVCYPMPV-UHFFFAOYSA-N 0 0 195.287 2.824 10 0 AFAERN CC(=O)C/C=C\c1ccc(F)cc1 117273164 572529051 /nfs/dbraw/zinc/52/90/51/572529051.db2.gz ICMODLPFRRZHAF-RQOWECAXSA-N 0 0 178.206 2.818 10 0 AFAERN Nc1cc(C(F)F)ccc1OC1CC1 713276546 572529061 /nfs/dbraw/zinc/52/90/61/572529061.db2.gz MDZNPXYYKSWMCL-UHFFFAOYSA-N 0 0 199.200 2.748 10 0 AFAERN CCc1cc2cccc(F)c2nc1N 63118019 572529445 /nfs/dbraw/zinc/52/94/45/572529445.db2.gz OVVIDABBKMBJNC-UHFFFAOYSA-N 0 0 190.221 2.519 10 0 AFAERN CC[C@@](C)(CO)Sc1ccccc1 238291368 572529543 /nfs/dbraw/zinc/52/95/43/572529543.db2.gz KYVYJHDXUQQUFW-NSHDSACASA-N 0 0 196.315 2.940 10 0 AFAERN CCS/C=C/C[C@H](O)C(C)C 238292500 572529676 /nfs/dbraw/zinc/52/96/76/572529676.db2.gz UWPVJUJWBXEESB-IWGCBNPKSA-N 0 0 174.309 2.660 10 0 AFAERN CCC(=O)CCCc1csc(C)n1 84276564 572530092 /nfs/dbraw/zinc/53/00/92/572530092.db2.gz BKALYCADJHGFFY-UHFFFAOYSA-N 0 0 197.303 2.753 10 0 AFAERN CCOc1cccc(N(C)C2CC2)c1 238291474 572530247 /nfs/dbraw/zinc/53/02/47/572530247.db2.gz NSDQOICQGIVKCN-UHFFFAOYSA-N 0 0 191.274 2.684 10 0 AFAERN CN(C)[C@@H]1Nc2cccc3cccc1c23 238291337 572530350 /nfs/dbraw/zinc/53/03/50/572530350.db2.gz SOAWDJOXEGZPNK-ZDUSSCGKSA-N 0 0 198.269 2.826 10 0 AFAERN CCS[C@H](O)/C=C/c1ccccc1 238291344 572530579 /nfs/dbraw/zinc/53/05/79/572530579.db2.gz ZXJHQJPTNBFGFU-FBOQAHMBSA-N 0 0 194.299 2.771 10 0 AFAERN CNc1nc2ccc(F)cc2cc1C 63117217 572530620 /nfs/dbraw/zinc/53/06/20/572530620.db2.gz ZJEAOUSQGAEFEY-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CCc1nc(C2CCCCCC2)n[nH]1 53715257 572530893 /nfs/dbraw/zinc/53/08/93/572530893.db2.gz VFIQRYLRYKWBNR-UHFFFAOYSA-N 0 0 193.294 2.805 10 0 AFAERN CC(C)SCc1cccc(CO)c1 76980342 572530940 /nfs/dbraw/zinc/53/09/40/572530940.db2.gz CJKVKZFESGGRAK-UHFFFAOYSA-N 0 0 196.315 2.821 10 0 AFAERN CCCSCc1cccc(CO)c1 76980331 572530958 /nfs/dbraw/zinc/53/09/58/572530958.db2.gz KZGGCMPBSNVFTK-UHFFFAOYSA-N 0 0 196.315 2.822 10 0 AFAERN CCS[C@H](C)[C@@H](O)c1ccccc1 238290654 572532192 /nfs/dbraw/zinc/53/21/92/572532192.db2.gz NPKTWJCPBWWBIB-MWLCHTKSSA-N 0 0 196.315 2.862 10 0 AFAERN CCOC(=O)Sc1ccccc1N 238293234 572531831 /nfs/dbraw/zinc/53/18/31/572531831.db2.gz WGNDLGGUTIZHIW-UHFFFAOYSA-N 0 0 197.259 2.517 10 0 AFAERN CCC[C@H](C)CC1(O)CCC(=O)CC1 84323276 572532148 /nfs/dbraw/zinc/53/21/48/572532148.db2.gz ABHFSIJSCWMVDF-JTQLQIEISA-N 0 0 198.306 2.687 10 0 AFAERN Cc1ccnc(-c2sccc2N)c1 74273924 572532172 /nfs/dbraw/zinc/53/21/72/572532172.db2.gz KFHGDKJDUCHQAE-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(N)oc1-n1c(C)ccc1C 74274378 572532321 /nfs/dbraw/zinc/53/23/21/572532321.db2.gz UVDHBIYGQKFYLW-UHFFFAOYSA-N 0 0 190.246 2.578 10 0 AFAERN C=CC(=C)c1cc(OCC)ccc1O 238290359 572532542 /nfs/dbraw/zinc/53/25/42/572532542.db2.gz JQVPKRGGVODNEK-UHFFFAOYSA-N 0 0 190.242 2.990 10 0 AFAERN O=Cc1coc(/C=C\c2ccccc2)n1 90669468 572532562 /nfs/dbraw/zinc/53/25/62/572532562.db2.gz DIPCBOKEESSSLI-SREVYHEPSA-N 0 0 199.209 2.658 10 0 AFAERN CCS[C@H](C)[C@H](O)c1ccccc1 238290707 572533020 /nfs/dbraw/zinc/53/30/20/572533020.db2.gz NPKTWJCPBWWBIB-KOLCDFICSA-N 0 0 196.315 2.862 10 0 AFAERN Cc1ccc(-c2sncc2N)cc1 74273928 572533079 /nfs/dbraw/zinc/53/30/79/572533079.db2.gz ACHPQUGALJFSGC-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(C)c(C[C@@H](C)CO)c(F)c1 235124089 572533160 /nfs/dbraw/zinc/53/31/60/572533160.db2.gz ZCVDHGILRYWDSF-SECBINFHSA-N 0 0 196.265 2.613 10 0 AFAERN Cc1cc(-n2c(C)ccc2C)oc1N 74274373 572533165 /nfs/dbraw/zinc/53/31/65/572533165.db2.gz UJGJQRVLHSQDNU-UHFFFAOYSA-N 0 0 190.246 2.578 10 0 AFAERN CC(C)[C@H]1CNc2ccc(N)cc2C1 74273824 572533213 /nfs/dbraw/zinc/53/32/13/572533213.db2.gz PLKKIQUNPSRPSF-SNVBAGLBSA-N 0 0 190.290 2.509 10 0 AFAERN c1ccc2c(c1)cnc1[nH]ccc12 45387299 572533508 /nfs/dbraw/zinc/53/35/08/572533508.db2.gz FPNDRDUWRNKBRK-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN CCCCCCC1(O)CCC(=O)CC1 84323266 572533534 /nfs/dbraw/zinc/53/35/34/572533534.db2.gz YBUIAFHFEDLNES-UHFFFAOYSA-N 0 0 198.306 2.831 10 0 AFAERN Cc1cccc(-c2cc(N)sn2)c1 74273944 572533672 /nfs/dbraw/zinc/53/36/72/572533672.db2.gz GMGMDCAWIJPFBU-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cccc(-c2sncc2N)c1 74273927 572533978 /nfs/dbraw/zinc/53/39/78/572533978.db2.gz WJPIXOICLNWSII-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCC[C@@H](C)CC1(O)CCC(=O)CC1 84323274 572533991 /nfs/dbraw/zinc/53/39/91/572533991.db2.gz ABHFSIJSCWMVDF-SNVBAGLBSA-N 0 0 198.306 2.687 10 0 AFAERN Cc1ccccc1-c1cc(N)sn1 74273949 572534160 /nfs/dbraw/zinc/53/41/60/572534160.db2.gz GYZRKIBUXNALRJ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(C)c1cc2c(N)ccc(O)c2[nH]1 74274327 572534252 /nfs/dbraw/zinc/53/42/52/572534252.db2.gz YBLLDUAZILFBTK-UHFFFAOYSA-N 0 0 190.246 2.579 10 0 AFAERN CC(C)[C@@H]1CNc2ccc(N)cc2C1 74273825 572534229 /nfs/dbraw/zinc/53/42/29/572534229.db2.gz PLKKIQUNPSRPSF-JTQLQIEISA-N 0 0 190.290 2.509 10 0 AFAERN C1CNc2onc(C3CCCC3)c2C1 250976061 572534733 /nfs/dbraw/zinc/53/47/33/572534733.db2.gz AUUIIVRGAHUTKU-UHFFFAOYSA-N 0 0 192.262 2.690 10 0 AFAERN Nc1cc2[nH]cc(C3CC3)c2cc1F 74274499 572534992 /nfs/dbraw/zinc/53/49/92/572534992.db2.gz BSBJGTTVVCKTCR-UHFFFAOYSA-N 0 0 190.221 2.767 10 0 AFAERN Nc1cc2[nH]c(C3CC3)cc2cc1F 74274556 572535060 /nfs/dbraw/zinc/53/50/60/572535060.db2.gz XWPIDOPYDOZCIK-UHFFFAOYSA-N 0 0 190.221 2.767 10 0 AFAERN CC[C@H](CC(C)C)[C@@H](C)CO 238294110 572535503 /nfs/dbraw/zinc/53/55/03/572535503.db2.gz DYBPJNWUGQDDHV-VHSXEESVSA-N 0 0 158.285 2.687 10 0 AFAERN CC(=O)CCC(=O)C1CCCCCC1 84328427 572535860 /nfs/dbraw/zinc/53/58/60/572535860.db2.gz FNFUEFNCFBCDRA-UHFFFAOYSA-N 0 0 196.290 2.895 10 0 AFAERN Cc1ccc(N)cc1N[C@H]1CC1(C)C 53735536 572536182 /nfs/dbraw/zinc/53/61/82/572536182.db2.gz HRXWKXFEDNIPSW-NSHDSACASA-N 0 0 190.290 2.788 10 0 AFAERN CCc1ccc2cccc3c2c1C[C@@H]3O 238294443 572536255 /nfs/dbraw/zinc/53/62/55/572536255.db2.gz XJADFOZXWNWBMR-ZDUSSCGKSA-N 0 0 198.265 2.992 10 0 AFAERN CCOCc1ccccc1OC1CC1 238296382 572536403 /nfs/dbraw/zinc/53/64/03/572536403.db2.gz LKUQHGUSLCDGLA-UHFFFAOYSA-N 0 0 192.258 2.764 10 0 AFAERN CCOC(=N)Cc1cc(C)cc(C)c1 53749746 572536416 /nfs/dbraw/zinc/53/64/16/572536416.db2.gz UCPIUPSQLGTNKE-UHFFFAOYSA-N 0 0 191.274 2.860 10 0 AFAERN C[NH2+][C@@H](c1ncccc1Cl)C(C)C 234462881 572536528 /nfs/dbraw/zinc/53/65/28/572536528.db2.gz BFKMVBACILDQNB-SECBINFHSA-N 0 0 198.697 2.652 10 0 AFAERN Cc1ccc(N)cc1N(C)CC(C)C 53734866 572536777 /nfs/dbraw/zinc/53/67/77/572536777.db2.gz KZQXNWZAIVVANF-UHFFFAOYSA-N 0 0 192.306 2.669 10 0 AFAERN Nc1cc2c(C3CC3)c[nH]c2cc1F 74274502 572536671 /nfs/dbraw/zinc/53/66/71/572536671.db2.gz ADANKIPWTYAISV-UHFFFAOYSA-N 0 0 190.221 2.767 10 0 AFAERN Nc1ccc2[nH]cc(C3CC3)c2c1F 74274497 572536714 /nfs/dbraw/zinc/53/67/14/572536714.db2.gz HTTRWVFJLYKFKB-UHFFFAOYSA-N 0 0 190.221 2.767 10 0 AFAERN CCSc1cc(CC)oc1C=O 238296056 572536819 /nfs/dbraw/zinc/53/68/19/572536819.db2.gz RUYJXWTVZORWCA-UHFFFAOYSA-N 0 0 184.260 2.767 10 0 AFAERN CCc1ccc2cccc3c2c1C[C@H]3O 238294456 572536833 /nfs/dbraw/zinc/53/68/33/572536833.db2.gz XJADFOZXWNWBMR-CYBMUJFWSA-N 0 0 198.265 2.992 10 0 AFAERN CCOC(=O)c1[nH]c(C)cc1C(C)C 238295912 572536906 /nfs/dbraw/zinc/53/69/06/572536906.db2.gz CEEJUGHSISUWPS-UHFFFAOYSA-N 0 0 195.262 2.623 10 0 AFAERN CCC(CC)OCn1cccc1 308053090 572537086 /nfs/dbraw/zinc/53/70/86/572537086.db2.gz SVEMMZSJRUCSSW-UHFFFAOYSA-N 0 0 167.252 2.651 10 0 AFAERN CC(C)CCCO[C@H](C)C[C@H](C)O 84401599 572537503 /nfs/dbraw/zinc/53/75/03/572537503.db2.gz CJBDBLHLJAKABN-WDEREUQCSA-N 0 0 188.311 2.599 10 0 AFAERN Nc1ccc(F)c2[nH]cc(C3CC3)c12 74274500 572537646 /nfs/dbraw/zinc/53/76/46/572537646.db2.gz GCOOMSMKRAASDZ-UHFFFAOYSA-N 0 0 190.221 2.767 10 0 AFAERN CCCCCCO[C@@H](C)C[C@H](C)O 84401613 572537695 /nfs/dbraw/zinc/53/76/95/572537695.db2.gz GEGXEDUFMARYSI-QWRGUYRKSA-N 0 0 188.311 2.743 10 0 AFAERN CC(=O)CCC(=O)[C@H]1CCC[C@@H](C)C1 84341530 572537789 /nfs/dbraw/zinc/53/77/89/572537789.db2.gz AGALWQQTZQTQRF-KOLCDFICSA-N 0 0 196.290 2.751 10 0 AFAERN CCCOc1ccc([C@@H](C)CO)cc1 84348421 572537802 /nfs/dbraw/zinc/53/78/02/572537802.db2.gz IUNYISLYYHSUCK-JTQLQIEISA-N 0 0 194.274 2.571 10 0 AFAERN CCCOc1ccc([C@H](C)CO)cc1 84348425 572537828 /nfs/dbraw/zinc/53/78/28/572537828.db2.gz IUNYISLYYHSUCK-SNVBAGLBSA-N 0 0 194.274 2.571 10 0 AFAERN CC[C@H](O)/C=C\C1CCCCC1 207838070 572537964 /nfs/dbraw/zinc/53/79/64/572537964.db2.gz VQGLUSFJDARDCO-IQQGHNRFSA-N 0 0 168.280 2.894 10 0 AFAERN CC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 84349419 572538018 /nfs/dbraw/zinc/53/80/18/572538018.db2.gz FQCNUPYKPZVFGX-KCJUWKMLSA-N 0 0 192.258 2.925 10 0 AFAERN CCc1cc2c(C)c(N)c(C)cc2[nH]1 74276890 572538054 /nfs/dbraw/zinc/53/80/54/572538054.db2.gz JMUKHWSJEVEFKS-UHFFFAOYSA-N 0 0 188.274 2.929 10 0 AFAERN CCC/C(=C\[C@@H](C)O)CC 307791969 572538130 /nfs/dbraw/zinc/53/81/30/572538130.db2.gz IWIUAJVBQJZPKY-XZZQCUQZSA-N 0 0 142.242 2.504 10 0 AFAERN CCCCCCO[C@H](C)C[C@@H](C)O 84401611 572538524 /nfs/dbraw/zinc/53/85/24/572538524.db2.gz GEGXEDUFMARYSI-GHMZBOCLSA-N 0 0 188.311 2.743 10 0 AFAERN CC/C=C(\CC)[C@H](O)CC 307791963 572538563 /nfs/dbraw/zinc/53/85/63/572538563.db2.gz IVNTYJBXUUYMNO-FCZSHJHJSA-N 0 0 142.242 2.504 10 0 AFAERN CC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 84349430 572538564 /nfs/dbraw/zinc/53/85/64/572538564.db2.gz FQCNUPYKPZVFGX-GZMMTYOYSA-N 0 0 192.258 2.925 10 0 AFAERN CC(=O)CCC(=O)[C@@H]1CCC[C@H](C)C1 84341537 572538578 /nfs/dbraw/zinc/53/85/78/572538578.db2.gz AGALWQQTZQTQRF-GXSJLCMTSA-N 0 0 196.290 2.751 10 0 AFAERN CN[C@@H](C1=CCCCCC1)C(F)F 234464608 572538637 /nfs/dbraw/zinc/53/86/37/572538637.db2.gz LKIKMUTYHARJRW-VIFPVBQESA-N 0 0 189.249 2.730 10 0 AFAERN CC/C=C(\CC)[C@@H](O)CC 307791965 572538808 /nfs/dbraw/zinc/53/88/08/572538808.db2.gz IVNTYJBXUUYMNO-FLOXNTQESA-N 0 0 142.242 2.504 10 0 AFAERN CC(C)Oc1ccc([C@@H](C)CO)cc1 84348258 572538948 /nfs/dbraw/zinc/53/89/48/572538948.db2.gz JPSXAEYTDICGNW-JTQLQIEISA-N 0 0 194.274 2.570 10 0 AFAERN CC(=O)CCC(=O)[C@@H]1CCC[C@@H](C)C1 84341535 572538957 /nfs/dbraw/zinc/53/89/57/572538957.db2.gz AGALWQQTZQTQRF-MWLCHTKSSA-N 0 0 196.290 2.751 10 0 AFAERN CC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 84349422 572539762 /nfs/dbraw/zinc/53/97/62/572539762.db2.gz FQCNUPYKPZVFGX-KWQFWETISA-N 0 0 192.258 2.925 10 0 AFAERN CCc1cc(-c2ccccc2N)ccn1 307792559 572539190 /nfs/dbraw/zinc/53/91/90/572539190.db2.gz QNYHBGKGNULUCZ-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN Cc1cccc(-c2noc(C)c2N)c1 74277783 572539208 /nfs/dbraw/zinc/53/92/08/572539208.db2.gz JHHHVNKMERZGHB-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(C)c(-c2oncc2N)c1 74277935 572539230 /nfs/dbraw/zinc/53/92/30/572539230.db2.gz AMJXHRDZXCRRNN-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCCCCCO[C@@H](C)C[C@@H](C)O 84401610 572539277 /nfs/dbraw/zinc/53/92/77/572539277.db2.gz GEGXEDUFMARYSI-MNOVXSKESA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)Oc1ccc([C@H](C)CO)cc1 84348259 572539424 /nfs/dbraw/zinc/53/94/24/572539424.db2.gz JPSXAEYTDICGNW-SNVBAGLBSA-N 0 0 194.274 2.570 10 0 AFAERN Cc1ccc(-c2oncc2N)c(C)c1 74277848 572539469 /nfs/dbraw/zinc/53/94/69/572539469.db2.gz FIFTTYRSFKWIII-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCC/C(=C\[C@H](C)O)CC 307791967 572539470 /nfs/dbraw/zinc/53/94/70/572539470.db2.gz IWIUAJVBQJZPKY-FZGDARCMSA-N 0 0 142.242 2.504 10 0 AFAERN CC[C@H](CCC(N)=O)C1CCCCC1 238297988 572539591 /nfs/dbraw/zinc/53/95/91/572539591.db2.gz NEDILSDEPFLKDW-SNVBAGLBSA-N 0 0 197.322 2.858 10 0 AFAERN CC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 84349426 572539607 /nfs/dbraw/zinc/53/96/07/572539607.db2.gz FQCNUPYKPZVFGX-LDYMZIIASA-N 0 0 192.258 2.925 10 0 AFAERN CCCCCCO[C@H](C)C[C@H](C)O 84401615 572539613 /nfs/dbraw/zinc/53/96/13/572539613.db2.gz GEGXEDUFMARYSI-WDEREUQCSA-N 0 0 188.311 2.743 10 0 AFAERN Cc1ccccc1-c1noc(C)c1N 74277803 572539659 /nfs/dbraw/zinc/53/96/59/572539659.db2.gz UPXANNIAHAIRJU-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCCC/C=C/[C@@H]1CCC[C@H]1O 308056419 572539945 /nfs/dbraw/zinc/53/99/45/572539945.db2.gz URJCBEFTXBDCBI-HOGLGZINSA-N 0 0 168.280 2.894 10 0 AFAERN CCCC/C=C\[C@@H]1CCC[C@H]1O 308056414 572540020 /nfs/dbraw/zinc/54/00/20/572540020.db2.gz URJCBEFTXBDCBI-BHQLTRLXSA-N 0 0 168.280 2.894 10 0 AFAERN CC(=O)CCC(=O)[C@H]1CCC[C@H](C)C1 84341532 572540022 /nfs/dbraw/zinc/54/00/22/572540022.db2.gz AGALWQQTZQTQRF-ONGXEEELSA-N 0 0 196.290 2.751 10 0 AFAERN O[C@H]1CCC[C@@H]1C1CCCCC1 53751760 572540466 /nfs/dbraw/zinc/54/04/66/572540466.db2.gz YBWFLUWMEHBOJD-MNOVXSKESA-N 0 0 168.280 2.728 10 0 AFAERN O[C@@H]1CCC[C@H]1C1CCCCC1 53751762 572540551 /nfs/dbraw/zinc/54/05/51/572540551.db2.gz YBWFLUWMEHBOJD-WDEREUQCSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cc(C)cc(-c2oncc2N)c1 74277940 572540561 /nfs/dbraw/zinc/54/05/61/572540561.db2.gz UYOYNOSYMHLIBF-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C=C/C=C/C[C@H](O)[C@@H](C)CC 238299058 572540722 /nfs/dbraw/zinc/54/07/22/572540722.db2.gz ZBFLTINZRJUMDK-CAFLDADYSA-N 0 0 154.253 2.526 10 0 AFAERN CC(C)[C@H]1CCCCC[C@@H]1O 53751553 572540785 /nfs/dbraw/zinc/54/07/85/572540785.db2.gz MFAXEGLRLFBDBJ-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@H]1CCC[C@H]1C1CCCCC1 53751758 572540850 /nfs/dbraw/zinc/54/08/50/572540850.db2.gz YBWFLUWMEHBOJD-QWRGUYRKSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)[C@H]1CCCCC[C@H]1O 53751556 572540945 /nfs/dbraw/zinc/54/09/45/572540945.db2.gz MFAXEGLRLFBDBJ-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@@H]1CCCCC[C@@H]1O 53751551 572540958 /nfs/dbraw/zinc/54/09/58/572540958.db2.gz MFAXEGLRLFBDBJ-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc(-c2oncc2N)cc1C 74277844 572540982 /nfs/dbraw/zinc/54/09/82/572540982.db2.gz MKPSNWCYRRYQNH-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(C)c(-c2nocc2N)c1 74277800 572541436 /nfs/dbraw/zinc/54/14/36/572541436.db2.gz WHBSEUFZPTYABX-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC[C@H](CCCO)C1CCCC1 238299141 572541395 /nfs/dbraw/zinc/54/13/95/572541395.db2.gz XDILFAKUEPUNFX-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN CCc1ccccc1CC[C@H](C)O 84350707 572541401 /nfs/dbraw/zinc/54/14/01/572541401.db2.gz LRYQRYSCWVZIMG-JTQLQIEISA-N 0 0 178.275 2.562 10 0 AFAERN Cc1ccc(-c2nocc2N)cc1C 74277786 572541538 /nfs/dbraw/zinc/54/15/38/572541538.db2.gz XLTCRWMNMHUEJQ-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN O[C@@H]1CCC[C@@H]1C1CCCCC1 53751763 572541592 /nfs/dbraw/zinc/54/15/92/572541592.db2.gz YBWFLUWMEHBOJD-GHMZBOCLSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H](C[C@@H](O)C1CC1)c1ccccc1 84375162 572542100 /nfs/dbraw/zinc/54/21/00/572542100.db2.gz SEBJIAXTGPRZJR-ZWNOBZJWSA-N 0 0 190.286 2.951 10 0 AFAERN CCC[C@H](C)C[C@H](O)CC 53784362 572544166 /nfs/dbraw/zinc/54/41/66/572544166.db2.gz NBUAJOLSZMKRIT-DTWKUNHWSA-N 0 0 144.258 2.584 10 0 AFAERN CC(C)[C@@H]1CCCCC[C@H]1O 53751554 572541892 /nfs/dbraw/zinc/54/18/92/572541892.db2.gz MFAXEGLRLFBDBJ-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc(-c2nocc2N)c(C)c1 74277790 572541905 /nfs/dbraw/zinc/54/19/05/572541905.db2.gz DCGWZFARUQUWMY-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN O[C@@H](c1cccc2cccnc12)C1CC1 84375185 572542163 /nfs/dbraw/zinc/54/21/63/572542163.db2.gz SUXVSEPEDASYEH-CYBMUJFWSA-N 0 0 199.253 2.678 10 0 AFAERN CCc1c(C)[nH]c2ccc3c[nH]nc3c12 238298084 572542244 /nfs/dbraw/zinc/54/22/44/572542244.db2.gz BXNCTVCGZFJSQV-UHFFFAOYSA-N 0 0 199.257 2.915 10 0 AFAERN C[C@@H](C[C@@H](O)C1CC1)c1ccccc1 84375161 572542281 /nfs/dbraw/zinc/54/22/81/572542281.db2.gz SEBJIAXTGPRZJR-GXFFZTMASA-N 0 0 190.286 2.951 10 0 AFAERN CCc1nc2sc(N)cc2s1 74282677 572542371 /nfs/dbraw/zinc/54/23/71/572542371.db2.gz SNPWTYKJFWGKGJ-UHFFFAOYSA-N 0 0 184.289 2.502 10 0 AFAERN O=Cc1scc2c1CCCS2 74282691 572542402 /nfs/dbraw/zinc/54/24/02/572542402.db2.gz QCLPABRZOXUYTF-UHFFFAOYSA-N 0 0 184.285 2.599 10 0 AFAERN CC[C@@H](C)CC(=O)C(C)C 53765190 572542480 /nfs/dbraw/zinc/54/24/80/572542480.db2.gz DCLDMUUIFULKAP-MRVPVSSYSA-N 0 0 142.242 2.648 10 0 AFAERN C=C/C=C\CCc1cncc(F)c1 713722762 572542593 /nfs/dbraw/zinc/54/25/93/572542593.db2.gz BYWRYQBKYBFUDZ-ARJAWSKDSA-N 0 0 177.222 2.896 10 0 AFAERN O[C@H](c1cccc2cccnc12)C1CC1 84375186 572542736 /nfs/dbraw/zinc/54/27/36/572542736.db2.gz SUXVSEPEDASYEH-ZDUSSCGKSA-N 0 0 199.253 2.678 10 0 AFAERN C=C/C=C/CCc1cncc(F)c1 713722764 572542839 /nfs/dbraw/zinc/54/28/39/572542839.db2.gz BYWRYQBKYBFUDZ-ONEGZZNKSA-N 0 0 177.222 2.896 10 0 AFAERN CCC(=O)[C@@H](CC)c1ccncc1 238300668 572544755 /nfs/dbraw/zinc/54/47/55/572544755.db2.gz QDKVGSAGVIGFNG-JTQLQIEISA-N 0 0 177.247 2.554 10 0 AFAERN O[C@@H](c1ccnc2ccccc12)C1CC1 84375132 572543909 /nfs/dbraw/zinc/54/39/09/572543909.db2.gz PFGPYNALJOMNFD-CYBMUJFWSA-N 0 0 199.253 2.678 10 0 AFAERN CCc1nc2csc(N)c2s1 74282675 572542955 /nfs/dbraw/zinc/54/29/55/572542955.db2.gz GIURSFZNPDKBIQ-UHFFFAOYSA-N 0 0 184.289 2.502 10 0 AFAERN O=C1CCSCC12CCCCC2 74282672 572543015 /nfs/dbraw/zinc/54/30/15/572543015.db2.gz UEPPEOOVKGFKNB-UHFFFAOYSA-N 0 0 184.304 2.643 10 0 AFAERN CC[C@H](C)CC(=O)C(C)C 53765193 572543258 /nfs/dbraw/zinc/54/32/58/572543258.db2.gz DCLDMUUIFULKAP-QMMMGPOBSA-N 0 0 142.242 2.648 10 0 AFAERN CCCCCC(=O)C[C@@H]1CCCO1 53764709 572543262 /nfs/dbraw/zinc/54/32/62/572543262.db2.gz YHKDHOJAKVSGCF-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)(C)CCC(=O)C1CC1 53766106 572543272 /nfs/dbraw/zinc/54/32/72/572543272.db2.gz HQFOHLNQGLAOBG-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN O=Cc1scc2c1SCCC2 74282689 572543347 /nfs/dbraw/zinc/54/33/47/572543347.db2.gz LGTOESKDSVBGDK-UHFFFAOYSA-N 0 0 184.285 2.599 10 0 AFAERN O[C@H](c1ccnc2ccccc12)C1CC1 84375133 572543464 /nfs/dbraw/zinc/54/34/64/572543464.db2.gz PFGPYNALJOMNFD-ZDUSSCGKSA-N 0 0 199.253 2.678 10 0 AFAERN CCCC(=O)CCOCCC(C)C 53765990 572543528 /nfs/dbraw/zinc/54/35/28/572543528.db2.gz OFKJBZSUOSNDNZ-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN C/C=C/[C@H](C)[C@H](O)CC(=O)C(C)(C)C 207957591 572544034 /nfs/dbraw/zinc/54/40/34/572544034.db2.gz UCVXXCOKWQYWPQ-LOSXEJPUSA-N 0 0 198.306 2.565 10 0 AFAERN CCc1ccccc1CC[C@@H](C)O 84350703 572543719 /nfs/dbraw/zinc/54/37/19/572543719.db2.gz LRYQRYSCWVZIMG-SNVBAGLBSA-N 0 0 178.275 2.562 10 0 AFAERN C[C@H](C[C@H](O)C1CC1)c1ccccc1 84375160 572543856 /nfs/dbraw/zinc/54/38/56/572543856.db2.gz SEBJIAXTGPRZJR-MFKMUULPSA-N 0 0 190.286 2.951 10 0 AFAERN O[C@@H](CC1CCCC1)c1ccncc1 53783127 572544012 /nfs/dbraw/zinc/54/40/12/572544012.db2.gz WXQGLAMKKPEMBM-LBPRGKRZSA-N 0 0 191.274 2.695 10 0 AFAERN Cc1ccc(C)c(-c2[nH]ccc2N)c1 74280352 572544096 /nfs/dbraw/zinc/54/40/96/572544096.db2.gz INANSXWDRCZZKE-UHFFFAOYSA-N 0 0 186.258 2.881 10 0 AFAERN C[C@@H](C[C@H](O)C1CC1)c1ccccc1 84375159 572544099 /nfs/dbraw/zinc/54/40/99/572544099.db2.gz SEBJIAXTGPRZJR-GWCFXTLKSA-N 0 0 190.286 2.951 10 0 AFAERN CC(C)[C@@H](O)CC1CCCC1 53784005 572544109 /nfs/dbraw/zinc/54/41/09/572544109.db2.gz JICLUFGXWNLYSY-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc2cc(C3CC3)[nH]c2cc1N 74280247 572544201 /nfs/dbraw/zinc/54/42/01/572544201.db2.gz DWOOSFRCUVWFJV-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN CCOC(OCC)/C(C)=C\Cl 307797101 572544233 /nfs/dbraw/zinc/54/42/33/572544233.db2.gz LSFCWDPVYYKECJ-SREVYHEPSA-N 0 0 178.659 2.528 10 0 AFAERN CCC(=O)[C@@H](CC)c1ccc(O)cc1 238300643 572544259 /nfs/dbraw/zinc/54/42/59/572544259.db2.gz RZRDBCNTEGCYJB-NSHDSACASA-N 0 0 192.258 2.865 10 0 AFAERN Cc1cc(C)c(-n2cccc2)c(N)c1 74280380 572544331 /nfs/dbraw/zinc/54/43/31/572544331.db2.gz UCOYMGCIKLXEER-UHFFFAOYSA-N 0 0 186.258 2.676 10 0 AFAERN CC[C@@H](O)CCC(C)(C)C 53784386 572544296 /nfs/dbraw/zinc/54/42/96/572544296.db2.gz SURPSGVUTGGMOP-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN Cc1cc2[nH]cc(C3CC3)c2cc1N 74280263 572544581 /nfs/dbraw/zinc/54/45/81/572544581.db2.gz HBOFUBPLPMHECS-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN CCC[C@H](O)C[C@H](C)CC 53784637 572545825 /nfs/dbraw/zinc/54/58/25/572545825.db2.gz KFRCBGHGDZSOJV-BDAKNGLRSA-N 0 0 144.258 2.584 10 0 AFAERN CCSC(=O)N(C)C/C=C\Cl 307797082 572544838 /nfs/dbraw/zinc/54/48/38/572544838.db2.gz LMBIXDWXQYAKDE-PLNGDYQASA-N 0 0 193.699 2.544 10 0 AFAERN Cc1ccc(-n2cccc2)c(N)c1C 74280383 572546562 /nfs/dbraw/zinc/54/65/62/572546562.db2.gz SFHQUXKVIATZSM-UHFFFAOYSA-N 0 0 186.258 2.676 10 0 AFAERN CC(C)[C@H](O)CC1CCCC1 53784004 572544993 /nfs/dbraw/zinc/54/49/93/572544993.db2.gz JICLUFGXWNLYSY-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CN(C)[C@H]1Nc2cccc3cccc1c23 238300740 572545010 /nfs/dbraw/zinc/54/50/10/572545010.db2.gz SOAWDJOXEGZPNK-CYBMUJFWSA-N 0 0 198.269 2.826 10 0 AFAERN CCC[C@H](C)C[C@@H](O)CC 53784364 572545067 /nfs/dbraw/zinc/54/50/67/572545067.db2.gz NBUAJOLSZMKRIT-IUCAKERBSA-N 0 0 144.258 2.584 10 0 AFAERN CC[C@H](O)CCC(C)(C)C 53784385 572545101 /nfs/dbraw/zinc/54/51/01/572545101.db2.gz SURPSGVUTGGMOP-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN C[C@@H](c1ccccc1)c1[nH]ccc1N 74280346 572545129 /nfs/dbraw/zinc/54/51/29/572545129.db2.gz IHSMCHXDLVCRCX-VIFPVBQESA-N 0 0 186.258 2.749 10 0 AFAERN CCC(=O)[C@H](CC)Nc1ccccc1 238300860 572545181 /nfs/dbraw/zinc/54/51/81/572545181.db2.gz BRVKYWXUINGMSD-NSHDSACASA-N 0 0 191.274 2.856 10 0 AFAERN Cc1cccc(C)c1-c1[nH]ccc1N 74280357 572545185 /nfs/dbraw/zinc/54/51/85/572545185.db2.gz HXHSGBBQZHGGKP-UHFFFAOYSA-N 0 0 186.258 2.881 10 0 AFAERN CC(C)[C@@H](O)CCC(C)(C)C 53784023 572545198 /nfs/dbraw/zinc/54/51/98/572545198.db2.gz KBZAMMXKPRJXFO-VIFPVBQESA-N 0 0 158.285 2.830 10 0 AFAERN O[C@H](CC1CCCC1)c1cccnc1 53783026 572545295 /nfs/dbraw/zinc/54/52/95/572545295.db2.gz CZQNMGHKNMCLLQ-GFCCVEGCSA-N 0 0 191.274 2.695 10 0 AFAERN CC(C)[C@H](O)CCC(C)(C)C 53784022 572545465 /nfs/dbraw/zinc/54/54/65/572545465.db2.gz KBZAMMXKPRJXFO-SECBINFHSA-N 0 0 158.285 2.830 10 0 AFAERN O[C@@H](CC1CCCC1)c1cccnc1 53783027 572545444 /nfs/dbraw/zinc/54/54/44/572545444.db2.gz CZQNMGHKNMCLLQ-LBPRGKRZSA-N 0 0 191.274 2.695 10 0 AFAERN CCOC(C)(C)CC/C(C)=C/CO 238303209 572545619 /nfs/dbraw/zinc/54/56/19/572545619.db2.gz UUMLOUICUMXKTJ-JXMROGBWSA-N 0 0 186.295 2.520 10 0 AFAERN CCC[C@@H](O)C[C@H](C)CC 53784638 572545638 /nfs/dbraw/zinc/54/56/38/572545638.db2.gz KFRCBGHGDZSOJV-RKDXNWHRSA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@H](O)C[C@@H](C)CC 53784635 572545783 /nfs/dbraw/zinc/54/57/83/572545783.db2.gz KFRCBGHGDZSOJV-IUCAKERBSA-N 0 0 144.258 2.584 10 0 AFAERN O[C@H](CC1CCCC1)c1ccncc1 53783126 572545882 /nfs/dbraw/zinc/54/58/82/572545882.db2.gz WXQGLAMKKPEMBM-GFCCVEGCSA-N 0 0 191.274 2.695 10 0 AFAERN CCc1cc(=O)cc(-c2ccccc2)[nH]1 238303644 572545926 /nfs/dbraw/zinc/54/59/26/572545926.db2.gz XQCVCBYVEDQHGS-UHFFFAOYSA-N 0 0 199.253 2.604 10 0 AFAERN CCC[C@@H](O)C[C@@H](C)CC 53784636 572545930 /nfs/dbraw/zinc/54/59/30/572545930.db2.gz KFRCBGHGDZSOJV-DTWKUNHWSA-N 0 0 144.258 2.584 10 0 AFAERN CC/C(=C\c1ccco1)[C@@H](O)CC 238303022 572545947 /nfs/dbraw/zinc/54/59/47/572545947.db2.gz NIGZOLYBNDBZEX-FBOQAHMBSA-N 0 0 180.247 2.844 10 0 AFAERN Cc1ccc(N)c2c(C3CC3)c[nH]c12 74280262 572546000 /nfs/dbraw/zinc/54/60/00/572546000.db2.gz FGDYIBNITSAHAR-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN Cc1ccc(-c2[nH]ccc2N)c(C)c1 74280359 572546215 /nfs/dbraw/zinc/54/62/15/572546215.db2.gz VDYBRFXIOSPANN-UHFFFAOYSA-N 0 0 186.258 2.881 10 0 AFAERN Cc1cc2[nH]c(C3CC3)cc2cc1N 74280256 572546219 /nfs/dbraw/zinc/54/62/19/572546219.db2.gz MEKJMFBDHJIJNO-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN CCOCC(=O)[C@@H](CC)CC(C)C 308060614 572546253 /nfs/dbraw/zinc/54/62/53/572546253.db2.gz YIQBWBQYWHXQFZ-JTQLQIEISA-N 0 0 186.295 2.664 10 0 AFAERN CCc1ccc(-c2[nH]ccc2N)cc1 74280366 572546404 /nfs/dbraw/zinc/54/64/04/572546404.db2.gz PDMPJLKUZXVDLD-UHFFFAOYSA-N 0 0 186.258 2.826 10 0 AFAERN CCO[C@](C)(CC)CC(=O)CC 238305846 572546408 /nfs/dbraw/zinc/54/64/08/572546408.db2.gz OQMYTDYTSBNBDQ-SNVBAGLBSA-N 0 0 172.268 2.561 10 0 AFAERN CCc1ccccc1-c1[nH]ccc1N 74280368 572546518 /nfs/dbraw/zinc/54/65/18/572546518.db2.gz YKQYSMHUSBICKO-UHFFFAOYSA-N 0 0 186.258 2.826 10 0 AFAERN CCOCC(=O)[C@H](CC)CC(C)C 308060615 572546540 /nfs/dbraw/zinc/54/65/40/572546540.db2.gz YIQBWBQYWHXQFZ-SNVBAGLBSA-N 0 0 186.295 2.664 10 0 AFAERN CC[C@H](O)CCC(F)(F)CC 238306509 572546618 /nfs/dbraw/zinc/54/66/18/572546618.db2.gz BICUZMVYAKVFSJ-ZETCQYMHSA-N 0 0 166.211 2.583 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)CC 53784363 572546709 /nfs/dbraw/zinc/54/67/09/572546709.db2.gz NBUAJOLSZMKRIT-BDAKNGLRSA-N 0 0 144.258 2.584 10 0 AFAERN Cc1c(N)ccc2[nH]cc(C3CC3)c12 74280268 572546780 /nfs/dbraw/zinc/54/67/80/572546780.db2.gz QZMAYRJVGKCIGX-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN C[C@H](c1ccccc1)c1[nH]ccc1N 74280349 572546800 /nfs/dbraw/zinc/54/68/00/572546800.db2.gz IHSMCHXDLVCRCX-SECBINFHSA-N 0 0 186.258 2.749 10 0 AFAERN Cc1c(N)ccc2[nH]c(C3CC3)cc12 74280253 572546865 /nfs/dbraw/zinc/54/68/65/572546865.db2.gz HUILWJXBWYXNAO-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN Cc1ccc(-c2cc(N)c[nH]2)cc1C 74280371 572546910 /nfs/dbraw/zinc/54/69/10/572546910.db2.gz GNADKUATAOKSEU-UHFFFAOYSA-N 0 0 186.258 2.881 10 0 AFAERN CCC[C@@H](C)C[C@H](O)CC 53784361 572546943 /nfs/dbraw/zinc/54/69/43/572546943.db2.gz NBUAJOLSZMKRIT-RKDXNWHRSA-N 0 0 144.258 2.584 10 0 AFAERN CCOCCCC[C@@H](O)CC(C)C 87522966 572547346 /nfs/dbraw/zinc/54/73/46/572547346.db2.gz CLNWQGLSVRMFFF-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)CC(=O)CCc1ccncc1 87521503 572547363 /nfs/dbraw/zinc/54/73/63/572547363.db2.gz MTUOUGJPUDERCN-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN CC(C)CC(=O)CCC(F)F 87521479 572547468 /nfs/dbraw/zinc/54/74/68/572547468.db2.gz CITZSGCOQBKVHL-UHFFFAOYSA-N 0 0 164.195 2.647 10 0 AFAERN CC(C)Cc1ccnc(Cl)c1N 74282031 572547528 /nfs/dbraw/zinc/54/75/28/572547528.db2.gz DEYJQZMBHKFASK-UHFFFAOYSA-N 0 0 184.670 2.516 10 0 AFAERN CC[C@H](C)C[C@H](O)C(C)(C)C 53784866 572547541 /nfs/dbraw/zinc/54/75/41/572547541.db2.gz KWMQRDOLIPIEKI-IUCAKERBSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](O)[C@@H](C)C=C=C[Si](C)(C)C 238309840 572547731 /nfs/dbraw/zinc/54/77/31/572547731.db2.gz YXVHHHMRHOUSRB-KYDCKOQZSA-N 0 0 198.382 2.982 10 0 AFAERN CC(C)CC(=O)CCc1cccnc1 87521439 572547766 /nfs/dbraw/zinc/54/77/66/572547766.db2.gz WIJZGCLVPPNGNQ-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN C/C=C/CCC(=O)CC(C)C 87521506 572547784 /nfs/dbraw/zinc/54/77/84/572547784.db2.gz NRYUKEGJDDIKKC-SNAWJCMRSA-N 0 0 154.253 2.958 10 0 AFAERN O=Cc1ccn2cc(C3CC3)cc2c1 74281559 572547813 /nfs/dbraw/zinc/54/78/13/572547813.db2.gz NYIHOCAYDYFYEX-UHFFFAOYSA-N 0 0 185.226 2.629 10 0 AFAERN CC[C@@H](C)c1ccnc(Cl)c1N 74282026 572547823 /nfs/dbraw/zinc/54/78/23/572547823.db2.gz PTBFUPVBWZNWRX-ZCFIWIBFSA-N 0 0 184.670 2.831 10 0 AFAERN CCO[C@@H](C)C[C@H](O)c1ccccc1 238305811 572547844 /nfs/dbraw/zinc/54/78/44/572547844.db2.gz JYVFEIXTRYAOCD-JQWIXIFHSA-N 0 0 194.274 2.535 10 0 AFAERN CC[C@@H](C)C[C@H](O)C(C)(C)C 53784865 572547963 /nfs/dbraw/zinc/54/79/63/572547963.db2.gz KWMQRDOLIPIEKI-BDAKNGLRSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](O)[C@@H](C)Sc1ccccc1 238310050 572548061 /nfs/dbraw/zinc/54/80/61/572548061.db2.gz MHHVSKFGTYPXKT-KOLCDFICSA-N 0 0 196.315 2.938 10 0 AFAERN CC(C)(C)[C@@H](O)Cc1ccsc1 53784858 572548100 /nfs/dbraw/zinc/54/81/00/572548100.db2.gz MCFSIKHIWBXMNM-VIFPVBQESA-N 0 0 184.304 2.698 10 0 AFAERN CC(C)C[C@@H](O)CCc1ccco1 87522954 572548130 /nfs/dbraw/zinc/54/81/30/572548130.db2.gz LYFMISHSVMBUFJ-JTQLQIEISA-N 0 0 182.263 2.619 10 0 AFAERN CC[C@H](O)CCCCC(F)F 238306674 572548176 /nfs/dbraw/zinc/54/81/76/572548176.db2.gz DQTWGRLDLZTWHZ-ZETCQYMHSA-N 0 0 166.211 2.583 10 0 AFAERN CC(C)CC(=O)CC[C@@H]1CCCCO1 87521494 572548184 /nfs/dbraw/zinc/54/81/84/572548184.db2.gz HRWYZNMMEYQQMW-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)C[C@H](O)CCC1CCC1 87522886 572548189 /nfs/dbraw/zinc/54/81/89/572548189.db2.gz HLSYSPBANIJJHY-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)[C@H](C)C=C=C[Si](C)(C)C 238312828 572548203 /nfs/dbraw/zinc/54/82/03/572548203.db2.gz YXVHHHMRHOUSRB-RFSDDRETSA-N 0 0 198.382 2.982 10 0 AFAERN CCOC(OCC)/C(=C\Cl)CC 238310156 572548259 /nfs/dbraw/zinc/54/82/59/572548259.db2.gz WOMCIPNHUITVKV-FPLPWBNLSA-N 0 0 192.686 2.918 10 0 AFAERN CC[C@H](O)CCC/C=C1/CCC(=O)C1 238306531 572548261 /nfs/dbraw/zinc/54/82/61/572548261.db2.gz DQDSQLCPBVLGTK-VQNWOSHQSA-N 0 0 196.290 2.607 10 0 AFAERN CC(C)CC(=O)CC[C@H]1CCCCO1 87521495 572548297 /nfs/dbraw/zinc/54/82/97/572548297.db2.gz HRWYZNMMEYQQMW-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCOCCCCC(=O)CC(C)C 87521461 572548442 /nfs/dbraw/zinc/54/84/42/572548442.db2.gz ZRWTZBGFZSRSBW-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCSc1oc(CC)cc1C=O 238309492 572548508 /nfs/dbraw/zinc/54/85/08/572548508.db2.gz RNINDXFSCAZDDF-UHFFFAOYSA-N 0 0 184.260 2.767 10 0 AFAERN O=Cc1cc2ccc3[nH]ccc3c2o1 74281921 572548587 /nfs/dbraw/zinc/54/85/87/572548587.db2.gz SXZBLKKOKRKHDE-UHFFFAOYSA-N 0 0 185.182 2.727 10 0 AFAERN CC(C)CC(=O)CCc1nccs1 87521528 572548601 /nfs/dbraw/zinc/54/86/01/572548601.db2.gz IDWUXHBYRUHOQF-UHFFFAOYSA-N 0 0 197.303 2.691 10 0 AFAERN CC(C)CC(=O)CCCCCCO 87521440 572548657 /nfs/dbraw/zinc/54/86/57/572548657.db2.gz VCFAVECEQJCDPX-UHFFFAOYSA-N 0 0 186.295 2.544 10 0 AFAERN CCc1cccc2cc(C=O)cnc12 74281577 572548673 /nfs/dbraw/zinc/54/86/73/572548673.db2.gz MAQSJFSXSKNUMF-UHFFFAOYSA-N 0 0 185.226 2.610 10 0 AFAERN CC[C@H](O)CCCC(C)(F)F 238306613 572548888 /nfs/dbraw/zinc/54/88/88/572548888.db2.gz KFSPEKOULGTRLM-ZETCQYMHSA-N 0 0 166.211 2.583 10 0 AFAERN CC(C)CC(=O)CCc1cscn1 87521547 572548896 /nfs/dbraw/zinc/54/88/96/572548896.db2.gz CMWRUTFGUPITPB-UHFFFAOYSA-N 0 0 197.303 2.691 10 0 AFAERN CC(C)CC(=O)CCc1ccccn1 87521603 572548906 /nfs/dbraw/zinc/54/89/06/572548906.db2.gz XCUKRZNIOGDICT-UHFFFAOYSA-N 0 0 191.274 2.629 10 0 AFAERN CC(C)CC(=O)CCCOC(C)C 87521608 572548919 /nfs/dbraw/zinc/54/89/19/572548919.db2.gz RJPMTBALMOZYIH-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN CC[C@H](O)[C@@H](C)/C=C/[Si](C)(C)C 238310169 572548930 /nfs/dbraw/zinc/54/89/30/572548930.db2.gz UIHUIHSQSOQSSU-GOPXOUGQSA-N 0 0 186.371 2.827 10 0 AFAERN CCOCCCC[C@H](O)CC(C)C 87522964 572548962 /nfs/dbraw/zinc/54/89/62/572548962.db2.gz CLNWQGLSVRMFFF-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CCCC[C@@H](O)C1CCCC1 53785252 572549061 /nfs/dbraw/zinc/54/90/61/572549061.db2.gz DSAKHTTXEVRYAQ-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)(C)CC[C@H](O)C1CC1 53784753 572549090 /nfs/dbraw/zinc/54/90/90/572549090.db2.gz VXNXELBDKNRKKL-VIFPVBQESA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@H](O)CCCC1CC1 87523295 572549114 /nfs/dbraw/zinc/54/91/14/572549114.db2.gz JEIGUMCXRNHCPL-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](C)c1ccnc(Cl)c1N 74282029 572549198 /nfs/dbraw/zinc/54/91/98/572549198.db2.gz PTBFUPVBWZNWRX-LURJTMIESA-N 0 0 184.670 2.831 10 0 AFAERN CC(C)C[C@H](O)CCCOC(C)C 87522930 572549264 /nfs/dbraw/zinc/54/92/64/572549264.db2.gz HFIOVBLWSPMCFS-LLVKDONJSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)C[C@@H](O)CCCC1CC1 87523297 572549364 /nfs/dbraw/zinc/54/93/64/572549364.db2.gz JEIGUMCXRNHCPL-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)CC(=O)CCC1CCOCC1 87521542 572549449 /nfs/dbraw/zinc/54/94/49/572549449.db2.gz GKNWHXAOULVGGR-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)CC(=O)CCC1(O)CCCC1 87521462 572549484 /nfs/dbraw/zinc/54/94/84/572549484.db2.gz YTSNEMONHXEPLW-UHFFFAOYSA-N 0 0 198.306 2.687 10 0 AFAERN CC(C)(C)[C@H](O)Cc1ccsc1 53784857 572549580 /nfs/dbraw/zinc/54/95/80/572549580.db2.gz MCFSIKHIWBXMNM-SECBINFHSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@H](CO)[C@@H](F)c1ccccc1 238310598 572549592 /nfs/dbraw/zinc/54/95/92/572549592.db2.gz GEUQARNYGSWDFL-MWLCHTKSSA-N 0 0 182.238 2.716 10 0 AFAERN CC(C)(C)CC[C@@H](O)C1CC1 53784754 572549619 /nfs/dbraw/zinc/54/96/19/572549619.db2.gz VXNXELBDKNRKKL-SECBINFHSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC[C@H](O)C1CCCC1 53785251 572549649 /nfs/dbraw/zinc/54/96/49/572549649.db2.gz DSAKHTTXEVRYAQ-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN Nc1ccccc1/C=C\Br 307802745 572549683 /nfs/dbraw/zinc/54/96/83/572549683.db2.gz MAFDMZAHPNXLHU-WAYWQWQTSA-N 0 0 198.063 2.634 10 0 AFAERN CC(C)C[C@@H](O)CCCOC(C)C 87522932 572549686 /nfs/dbraw/zinc/54/96/86/572549686.db2.gz HFIOVBLWSPMCFS-NSHDSACASA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](O)[C@H](SC)c1ccccc1 238314662 572549730 /nfs/dbraw/zinc/54/97/30/572549730.db2.gz DDJRBIGKTPEBRO-WDEREUQCSA-N 0 0 196.315 2.862 10 0 AFAERN O=Cc1coc2c1ccc1[nH]ccc12 74281923 572549738 /nfs/dbraw/zinc/54/97/38/572549738.db2.gz NNAYUCQTKVBECM-UHFFFAOYSA-N 0 0 185.182 2.727 10 0 AFAERN CC(C)C[C@@H](O)CCC1CCC1 87522887 572549748 /nfs/dbraw/zinc/54/97/48/572549748.db2.gz HLSYSPBANIJJHY-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)C[C@@H](O)C(C)(C)C 53784867 572549953 /nfs/dbraw/zinc/54/99/53/572549953.db2.gz KWMQRDOLIPIEKI-RKDXNWHRSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)CC(=O)CCCC(C)(C)O 87521531 572549985 /nfs/dbraw/zinc/54/99/85/572549985.db2.gz ZFNKIQXAXWIIIW-UHFFFAOYSA-N 0 0 186.295 2.543 10 0 AFAERN CC[C@H](C)C[C@@H](O)C(C)(C)C 53784868 572550057 /nfs/dbraw/zinc/55/00/57/572550057.db2.gz KWMQRDOLIPIEKI-DTWKUNHWSA-N 0 0 158.285 2.830 10 0 AFAERN CCCC[C@H](O)c1ccoc1 69630605 572550201 /nfs/dbraw/zinc/55/02/01/572550201.db2.gz AXXUJIWXFPQESH-VIFPVBQESA-N 0 0 154.209 2.503 10 0 AFAERN CC[C@H](O)[C@H](C)Sc1ccccc1 238313053 572550253 /nfs/dbraw/zinc/55/02/53/572550253.db2.gz MHHVSKFGTYPXKT-ONGXEEELSA-N 0 0 196.315 2.938 10 0 AFAERN CC[C@H](O)[C@H](C)/C=C/[Si](C)(C)C 238313467 572550277 /nfs/dbraw/zinc/55/02/77/572550277.db2.gz UIHUIHSQSOQSSU-PSFRMBJNSA-N 0 0 186.371 2.827 10 0 AFAERN Cc1ccccc1-c1c[nH]c(C=O)c1 74281581 572550570 /nfs/dbraw/zinc/55/05/70/572550570.db2.gz IOCFOZJJYZEGJQ-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN Cc1cccc2c1N(C)[C@@H](C)[C@@H](C)N2 251165562 572550694 /nfs/dbraw/zinc/55/06/94/572550694.db2.gz NJGQDPZJYBZYEX-ZJUUUORDSA-N 0 0 190.290 2.634 10 0 AFAERN Cl/C=C\c1cccnc1Cl 307801445 572550717 /nfs/dbraw/zinc/55/07/17/572550717.db2.gz KHGKIFHFNYFJOS-ARJAWSKDSA-N 0 0 174.030 2.945 10 0 AFAERN C[C@@](O)(c1cccc(F)c1F)C1CC1 69640232 572551088 /nfs/dbraw/zinc/55/10/88/572551088.db2.gz WXNQJVYSYZSSJJ-NSHDSACASA-N 0 0 198.212 2.582 10 0 AFAERN CCc1nc2ccc(C)cc2cc1C=O 238311582 572551313 /nfs/dbraw/zinc/55/13/13/572551313.db2.gz FTQRBVUTKBPYBT-UHFFFAOYSA-N 0 0 199.253 2.918 10 0 AFAERN CCCC[C@@H](O)c1ccoc1 69630606 572551558 /nfs/dbraw/zinc/55/15/58/572551558.db2.gz AXXUJIWXFPQESH-SECBINFHSA-N 0 0 154.209 2.503 10 0 AFAERN Cc1cc(Cl)cc2c1CCC(=O)C2 714021881 572551617 /nfs/dbraw/zinc/55/16/17/572551617.db2.gz YTZIJRGUWFJJFS-UHFFFAOYSA-N 0 0 194.661 2.706 10 0 AFAERN CCC(C)(C)N(C)c1ccccc1N 69631113 572551658 /nfs/dbraw/zinc/55/16/58/572551658.db2.gz HTZBRNZFGGPTCT-UHFFFAOYSA-N 0 0 192.306 2.894 10 0 AFAERN CC[C@H](O)[C@@H](SC)c1ccccc1 238311426 572551781 /nfs/dbraw/zinc/55/17/81/572551781.db2.gz DDJRBIGKTPEBRO-QWRGUYRKSA-N 0 0 196.315 2.862 10 0 AFAERN CC[C@H](CO)[C@H](F)c1ccccc1 238310765 572551864 /nfs/dbraw/zinc/55/18/64/572551864.db2.gz GEUQARNYGSWDFL-KOLCDFICSA-N 0 0 182.238 2.716 10 0 AFAERN C/C=C\[C@@H](C)[C@H](O)c1ccco1 210964182 572551905 /nfs/dbraw/zinc/55/19/05/572551905.db2.gz WBQMAUFTXIFWJL-OCBRSHQWSA-N 0 0 166.220 2.525 10 0 AFAERN C/C=C(/[C@H](CC)CO)[Si](C)(C)C 238310907 572552134 /nfs/dbraw/zinc/55/21/34/572552134.db2.gz XAXSRBYMAFUHTP-SBMLRHLQSA-N 0 0 186.371 2.829 10 0 AFAERN CCOC(OCC)/C(C)=C/Cl 238310702 572552483 /nfs/dbraw/zinc/55/24/83/572552483.db2.gz LSFCWDPVYYKECJ-VOTSOKGWSA-N 0 0 178.659 2.528 10 0 AFAERN Cc1cccc2c1N(C)[C@H](C)[C@@H](C)N2 251165557 572552518 /nfs/dbraw/zinc/55/25/18/572552518.db2.gz NJGQDPZJYBZYEX-NXEZZACHSA-N 0 0 190.290 2.634 10 0 AFAERN Cc1ccccc1C(=O)c1ccoc1 69630627 572552990 /nfs/dbraw/zinc/55/29/90/572552990.db2.gz KIAKVIQZIRYDJW-UHFFFAOYSA-N 0 0 186.210 2.819 10 0 AFAERN O=C1CCC[C@H]1c1cccc(F)c1F 69640995 572553006 /nfs/dbraw/zinc/55/30/06/572553006.db2.gz DINAZJIQKFAVJE-ZETCQYMHSA-N 0 0 196.196 2.801 10 0 AFAERN CC[C@H](O)/C=C/CCc1ccccc1 238316509 572553240 /nfs/dbraw/zinc/55/32/40/572553240.db2.gz STAQOHHLDGOZMI-HJTPGIPUSA-N 0 0 190.286 2.946 10 0 AFAERN CCO/C=C/Cc1ccc(C=O)cc1 238315202 572553273 /nfs/dbraw/zinc/55/32/73/572553273.db2.gz NUKUWOQWLSABGC-YCRREMRBSA-N 0 0 190.242 2.592 10 0 AFAERN CCC(=O)[C@H](CC)c1ccncc1 238315847 572554185 /nfs/dbraw/zinc/55/41/85/572554185.db2.gz QDKVGSAGVIGFNG-SNVBAGLBSA-N 0 0 177.247 2.554 10 0 AFAERN CCO[P@H](=O)O/C(C)=C\Cl 307805984 572553375 /nfs/dbraw/zinc/55/33/75/572553375.db2.gz MZHKMHOQNWATJD-PLNGDYQASA-N 0 0 184.559 2.529 10 0 AFAERN C/C=C\[C@H](C)[C@H](O)c1ccco1 210964214 572553421 /nfs/dbraw/zinc/55/34/21/572553421.db2.gz WBQMAUFTXIFWJL-KKTDHCNCSA-N 0 0 166.220 2.525 10 0 AFAERN C/C=C\CSCCSC 307804739 572553589 /nfs/dbraw/zinc/55/35/89/572553589.db2.gz HDJMBNVWWVCGAR-ARJAWSKDSA-N 0 0 162.323 2.659 10 0 AFAERN O=C1CCC[C@@H]1c1cccc(F)c1F 69640999 572553608 /nfs/dbraw/zinc/55/36/08/572553608.db2.gz DINAZJIQKFAVJE-SSDOTTSWSA-N 0 0 196.196 2.801 10 0 AFAERN C[C@](O)(c1cccc(F)c1F)C1CC1 69640238 572554032 /nfs/dbraw/zinc/55/40/32/572554032.db2.gz WXNQJVYSYZSSJJ-LLVKDONJSA-N 0 0 198.212 2.582 10 0 AFAERN CCc1c(OC)cccc1[C@@H](O)CC 238317611 572554116 /nfs/dbraw/zinc/55/41/16/572554116.db2.gz GSDNLLLELADKDV-NSHDSACASA-N 0 0 194.274 2.701 10 0 AFAERN CCC(=O)[C@@H](C)C/C=C\Cl 307806805 572554230 /nfs/dbraw/zinc/55/42/30/572554230.db2.gz NDRNFNUQSWFCQT-NGAMADIESA-N 0 0 160.644 2.744 10 0 AFAERN CCC(=O)[C@H](C)C/C=C\Cl 307806796 572554491 /nfs/dbraw/zinc/55/44/91/572554491.db2.gz NDRNFNUQSWFCQT-FXXDRWHHSA-N 0 0 160.644 2.744 10 0 AFAERN Cc1ccc2c(c1)N(C)[C@H](C)[C@@H](C)N2 251205060 572555731 /nfs/dbraw/zinc/55/57/31/572555731.db2.gz ACLMMDBPCAFOCE-NXEZZACHSA-N 0 0 190.290 2.634 10 0 AFAERN CCOC/C=C(/C)CC/C=C(/C)CO 238315300 572554726 /nfs/dbraw/zinc/55/47/26/572554726.db2.gz YHABJLRSDDGXIL-HONFXZPPSA-N 0 0 198.306 2.688 10 0 AFAERN CC[C@H](O)/C=C/Cc1ccccc1 238316536 572555002 /nfs/dbraw/zinc/55/50/02/572555002.db2.gz ONKDFOHMGZYFDZ-JXPAYYINSA-N 0 0 176.259 2.556 10 0 AFAERN CC1(C)CC[C@@H]2C[C@@H](O)CC[C@H]2C1 251211019 572555052 /nfs/dbraw/zinc/55/50/52/572555052.db2.gz XKWZRAXPQZOCBO-VWYCJHECSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccc2c(c1)N(C)[C@@H](C)[C@@H](C)N2 251205065 572555074 /nfs/dbraw/zinc/55/50/74/572555074.db2.gz ACLMMDBPCAFOCE-ZJUUUORDSA-N 0 0 190.290 2.634 10 0 AFAERN CCC(=O)[C@H](CC)c1ccc(O)cc1 238315834 572555227 /nfs/dbraw/zinc/55/52/27/572555227.db2.gz RZRDBCNTEGCYJB-LLVKDONJSA-N 0 0 192.258 2.865 10 0 AFAERN CC1(C)CC[C@@H]2C[C@H](O)CC[C@H]2C1 251211018 572555338 /nfs/dbraw/zinc/55/53/38/572555338.db2.gz XKWZRAXPQZOCBO-OUAUKWLOSA-N 0 0 182.307 2.974 10 0 AFAERN CCCCCOC[C@H](O)[C@H](C)CC 87539633 572555363 /nfs/dbraw/zinc/55/53/63/572555363.db2.gz UELHALHZRJQYBW-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN CCCCCOC[C@@H](O)[C@H](C)CC 87539634 572555404 /nfs/dbraw/zinc/55/54/04/572555404.db2.gz UELHALHZRJQYBW-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@H](C)[C@@H](O)COC(C)(C)CC 87539585 572555410 /nfs/dbraw/zinc/55/54/10/572555410.db2.gz DTVZYVDUOFNRHW-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](C)C(=O)CO[C@@H](C)C(C)C 87537222 572555452 /nfs/dbraw/zinc/55/54/52/572555452.db2.gz NKLGBBPHDYBHJJ-UWVGGRQHSA-N 0 0 186.295 2.663 10 0 AFAERN CC[C@@H](C)[C@H](O)COC(C)(C)CC 87539583 572555593 /nfs/dbraw/zinc/55/55/93/572555593.db2.gz DTVZYVDUOFNRHW-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](C)c1cc(N)sc1C=O 74284649 572555785 /nfs/dbraw/zinc/55/57/85/572555785.db2.gz NTIDJTQHYKZLGJ-LURJTMIESA-N 0 0 183.276 2.656 10 0 AFAERN CC[C@H](O)[Si](CC)(CC)CC 238316214 572555893 /nfs/dbraw/zinc/55/58/93/572555893.db2.gz FCWUYMWNHJIKNN-SECBINFHSA-N 0 0 174.360 2.805 10 0 AFAERN CC[C@H](C)C(=O)COCC1CCCC1 87537212 572555926 /nfs/dbraw/zinc/55/59/26/572555926.db2.gz KQDOVINQHNJHOT-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H](C)C(=O)COCC1CCCC1 87537210 572556106 /nfs/dbraw/zinc/55/61/06/572556106.db2.gz KQDOVINQHNJHOT-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H](C)C(=O)COCCC(C)C 87536662 572556126 /nfs/dbraw/zinc/55/61/26/572556126.db2.gz KKJLIIZTWVAANV-SNVBAGLBSA-N 0 0 186.295 2.664 10 0 AFAERN CC[C@@H](C)C(=O)CO[C@@H](C)C(C)C 87537221 572556164 /nfs/dbraw/zinc/55/61/64/572556164.db2.gz NKLGBBPHDYBHJJ-ZJUUUORDSA-N 0 0 186.295 2.663 10 0 AFAERN CC[C@H](C)[C@@H](O)COC(C)(C)CC 87539586 572556464 /nfs/dbraw/zinc/55/64/64/572556464.db2.gz DTVZYVDUOFNRHW-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN CCCCCOC[C@H](O)[C@@H](C)CC 87539631 572556476 /nfs/dbraw/zinc/55/64/76/572556476.db2.gz UELHALHZRJQYBW-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCCOCC(=O)[C@@H](C)CC 87536837 572556555 /nfs/dbraw/zinc/55/65/55/572556555.db2.gz KLNXFVYLJBCINN-JTQLQIEISA-N 0 0 186.295 2.808 10 0 AFAERN CCCCCOC[C@@H](O)[C@@H](C)CC 87539632 572557748 /nfs/dbraw/zinc/55/77/48/572557748.db2.gz UELHALHZRJQYBW-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCCOCC(=O)[C@H](C)CC 87536839 572556594 /nfs/dbraw/zinc/55/65/94/572556594.db2.gz KLNXFVYLJBCINN-SNVBAGLBSA-N 0 0 186.295 2.808 10 0 AFAERN CC[C@H](C)C/C=C/C[C@@H](C)O 238319368 572557756 /nfs/dbraw/zinc/55/77/56/572557756.db2.gz UDAPOMFZBMBLJV-FQNVXPIYSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@@H](C)C(=O)CO[C@H](C)C(C)C 87537224 572556719 /nfs/dbraw/zinc/55/67/19/572556719.db2.gz NKLGBBPHDYBHJJ-NXEZZACHSA-N 0 0 186.295 2.663 10 0 AFAERN CC[C@H](C)C/C=C/C[C@H](C)O 238319376 572556854 /nfs/dbraw/zinc/55/68/54/572556854.db2.gz UDAPOMFZBMBLJV-QEBMPYFUSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@H](C)C(=O)COC1CCCC1 87536712 572556860 /nfs/dbraw/zinc/55/68/60/572556860.db2.gz QOSBJEKDHGFCMR-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H]1Nc2ccccc2-c2nccn21 238318871 572556950 /nfs/dbraw/zinc/55/69/50/572556950.db2.gz HBAAQTXNFBUVKE-NSHDSACASA-N 0 0 199.257 2.884 10 0 AFAERN CC(C)[C@@H](C)C(=O)OC(C)(C)C 69688172 572557119 /nfs/dbraw/zinc/55/71/19/572557119.db2.gz LIBGJAFDTCSDFD-MRVPVSSYSA-N 0 0 172.268 2.620 10 0 AFAERN CC[C@H](C)C(=O)CO[C@H](C)C(C)C 87537226 572557377 /nfs/dbraw/zinc/55/73/77/572557377.db2.gz NKLGBBPHDYBHJJ-VHSXEESVSA-N 0 0 186.295 2.663 10 0 AFAERN CC[C@@H](C)c1cc(N)sc1C=O 74284648 572557422 /nfs/dbraw/zinc/55/74/22/572557422.db2.gz NTIDJTQHYKZLGJ-ZCFIWIBFSA-N 0 0 183.276 2.656 10 0 AFAERN CC[C@H](C)C(=O)COCCC(C)C 87536664 572557508 /nfs/dbraw/zinc/55/75/08/572557508.db2.gz KKJLIIZTWVAANV-JTQLQIEISA-N 0 0 186.295 2.664 10 0 AFAERN CC[C@H](C)Cc1cccc(OC)c1O 238319469 572557526 /nfs/dbraw/zinc/55/75/26/572557526.db2.gz FPBWZABDYZTEDW-VIFPVBQESA-N 0 0 194.274 2.989 10 0 AFAERN CCCCCCOC[C@@H](O)C(C)C 87539594 572557563 /nfs/dbraw/zinc/55/75/63/572557563.db2.gz HGXCLLWYSYDABE-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@H](C)C(=O)COC1CCCCC1 87536708 572557612 /nfs/dbraw/zinc/55/76/12/572557612.db2.gz NANIBUBTVMRKMQ-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H](C)C(=O)COC(C)(C)CC 87536809 572557767 /nfs/dbraw/zinc/55/77/67/572557767.db2.gz UQECBJFFKKMPCR-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN CC[C@@H](C)C(=O)COC1CCCCC1 87536706 572557933 /nfs/dbraw/zinc/55/79/33/572557933.db2.gz NANIBUBTVMRKMQ-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCCCOC[C@H](O)C(C)C 87539593 572557969 /nfs/dbraw/zinc/55/79/69/572557969.db2.gz HGXCLLWYSYDABE-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CCCc1nc([C@@H](C)C(C)C)n[nH]1 69688021 572558225 /nfs/dbraw/zinc/55/82/25/572558225.db2.gz GXHMFJQJLHBYCX-QMMMGPOBSA-N 0 0 181.283 2.517 10 0 AFAERN CC[C@H](C)C(=O)COC(C)(C)CC 87536811 572558311 /nfs/dbraw/zinc/55/83/11/572558311.db2.gz UQECBJFFKKMPCR-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN CC[C@H](C)[C@H](O)COC(C)(C)CC 87539584 572558464 /nfs/dbraw/zinc/55/84/64/572558464.db2.gz DTVZYVDUOFNRHW-VHSXEESVSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@@H](O)c1c(F)cccc1OC 87544934 572559206 /nfs/dbraw/zinc/55/92/06/572559206.db2.gz CXBYIUZIUNQKTF-SECBINFHSA-N 0 0 198.237 2.668 10 0 AFAERN CCCC[C@@H](O)c1ccc(Cl)nc1 87545987 572559483 /nfs/dbraw/zinc/55/94/83/572559483.db2.gz KDFAJHRYSODNBU-SECBINFHSA-N 0 0 199.681 2.959 10 0 AFAERN CCC/C=C/[C@H](CCCC)NC#N 308061677 572559587 /nfs/dbraw/zinc/55/95/87/572559587.db2.gz SSOZHBALGAKDLQ-DJYGCBNOSA-N 0 0 180.295 2.972 10 0 AFAERN CCCC[C@H](O)c1ccnc(Cl)c1 87545461 572559678 /nfs/dbraw/zinc/55/96/78/572559678.db2.gz LFRXUVDZZPPRBO-VIFPVBQESA-N 0 0 199.681 2.959 10 0 AFAERN CCC/C=C/[C@@H](CCCC)NC#N 308061678 572559711 /nfs/dbraw/zinc/55/97/11/572559711.db2.gz SSOZHBALGAKDLQ-MXMFLMJRSA-N 0 0 180.295 2.972 10 0 AFAERN Clc1ccc(OCCC2CC2)cn1 87543080 572559757 /nfs/dbraw/zinc/55/97/57/572559757.db2.gz CMWDPMOJNKRNLU-UHFFFAOYSA-N 0 0 197.665 2.914 10 0 AFAERN Cc1cc2c(c(F)c1F)N[C@@H](C)C2 713725062 572559797 /nfs/dbraw/zinc/55/97/97/572559797.db2.gz AUTHVAPDWQRKHZ-LURJTMIESA-N 0 0 183.201 2.630 10 0 AFAERN CCCCN(C)c1cc(C)ccc1N 84453593 572560127 /nfs/dbraw/zinc/56/01/27/572560127.db2.gz XOYRJHMFZFPQIQ-UHFFFAOYSA-N 0 0 192.306 2.814 10 0 AFAERN CCC(CC)Oc1cccnc1F 87542368 572560138 /nfs/dbraw/zinc/56/01/38/572560138.db2.gz KMYPVWSDTMXHLT-UHFFFAOYSA-N 0 0 183.226 2.788 10 0 AFAERN C[C@H]1Cc2ccc(OC(F)F)cc2N1 713725613 572560240 /nfs/dbraw/zinc/56/02/40/572560240.db2.gz DAHZGLVFMSZIHH-LURJTMIESA-N 0 0 199.200 2.645 10 0 AFAERN CC[C@H](C)COc1cccnc1F 87542539 572560475 /nfs/dbraw/zinc/56/04/75/572560475.db2.gz SDARSSMYUPBCFO-QMMMGPOBSA-N 0 0 183.226 2.646 10 0 AFAERN CC(C)Cc1ccn(CC(C)C)n1 87527211 572560524 /nfs/dbraw/zinc/56/05/24/572560524.db2.gz FFBBDUJKUPDBOG-UHFFFAOYSA-N 0 0 180.295 2.738 10 0 AFAERN Cc1cc2c(c(F)c1F)N[C@H](C)C2 713725063 572560532 /nfs/dbraw/zinc/56/05/32/572560532.db2.gz AUTHVAPDWQRKHZ-ZCFIWIBFSA-N 0 0 183.201 2.630 10 0 AFAERN COCc1ccc(SC)c(OC)c1 238327358 572560553 /nfs/dbraw/zinc/56/05/53/572560553.db2.gz KZQZCWLJXMCCPF-UHFFFAOYSA-N 0 0 198.287 2.564 10 0 AFAERN COCc1ccc(SC)cc1OC 238327594 572560668 /nfs/dbraw/zinc/56/06/68/572560668.db2.gz HNNCKHRVUCPMQJ-UHFFFAOYSA-N 0 0 198.287 2.564 10 0 AFAERN CCC[C@H](O)c1c(F)cccc1OC 87544932 572560839 /nfs/dbraw/zinc/56/08/39/572560839.db2.gz CXBYIUZIUNQKTF-VIFPVBQESA-N 0 0 198.237 2.668 10 0 AFAERN C[C@@H]1Cc2ccc(OC(F)F)cc2N1 713725614 572560990 /nfs/dbraw/zinc/56/09/90/572560990.db2.gz DAHZGLVFMSZIHH-ZCFIWIBFSA-N 0 0 199.200 2.645 10 0 AFAERN CC(C)CCOc1cccnc1F 87542391 572560996 /nfs/dbraw/zinc/56/09/96/572560996.db2.gz FAMGVSDCVUJVCU-UHFFFAOYSA-N 0 0 183.226 2.646 10 0 AFAERN CCC[C@@H](C)N(CC)CC(F)F 308062243 572561383 /nfs/dbraw/zinc/56/13/83/572561383.db2.gz WWLXBUZDVNCNDZ-MRVPVSSYSA-N 0 0 179.254 2.762 10 0 AFAERN CCCC[C@H](O)c1ccc(Cl)nc1 87545986 572561716 /nfs/dbraw/zinc/56/17/16/572561716.db2.gz KDFAJHRYSODNBU-VIFPVBQESA-N 0 0 199.681 2.959 10 0 AFAERN CCC[C@@H](CC(C)C)c1nncn1C 308062367 572561718 /nfs/dbraw/zinc/56/17/18/572561718.db2.gz GEOMPRRGCMGEGE-JTQLQIEISA-N 0 0 195.310 2.745 10 0 AFAERN CCCCn1ccc(CC(C)C)n1 87527230 572561754 /nfs/dbraw/zinc/56/17/54/572561754.db2.gz LWIHZEKRRWXJNQ-UHFFFAOYSA-N 0 0 180.295 2.882 10 0 AFAERN CC[C@@H](C)COc1cccnc1F 87542538 572561851 /nfs/dbraw/zinc/56/18/51/572561851.db2.gz SDARSSMYUPBCFO-MRVPVSSYSA-N 0 0 183.226 2.646 10 0 AFAERN CCCC(=O)c1c(F)cccc1OC 87544816 572562060 /nfs/dbraw/zinc/56/20/60/572562060.db2.gz FZUXRTUDIOZLAC-UHFFFAOYSA-N 0 0 196.221 2.817 10 0 AFAERN CCC[C@H](CC(C)C)c1nncn1C 308062370 572562282 /nfs/dbraw/zinc/56/22/82/572562282.db2.gz GEOMPRRGCMGEGE-SNVBAGLBSA-N 0 0 195.310 2.745 10 0 AFAERN CC[C@H](CC(C)C)c1nncn1CC 308063350 572562403 /nfs/dbraw/zinc/56/24/03/572562403.db2.gz HEYRXDYACILOLI-SNVBAGLBSA-N 0 0 195.310 2.838 10 0 AFAERN CO/C=C(/C)CC[C@H](O)C(C)(C)C 238332343 572562655 /nfs/dbraw/zinc/56/26/55/572562655.db2.gz TYZUIKFRKFWBQF-QROTZFDESA-N 0 0 186.295 2.724 10 0 AFAERN CO/C=C(/C)CC[C@@H](O)C(C)(C)C 238332319 572562698 /nfs/dbraw/zinc/56/26/98/572562698.db2.gz TYZUIKFRKFWBQF-HSTULFTRSA-N 0 0 186.295 2.724 10 0 AFAERN CCc1ccc(Nc2ccncn2)cc1 238330107 572563219 /nfs/dbraw/zinc/56/32/19/572563219.db2.gz OYEPTCZUSSIARV-UHFFFAOYSA-N 0 0 199.257 2.783 10 0 AFAERN CCC[C@H](C)N(CC)CC(F)F 308062247 572563629 /nfs/dbraw/zinc/56/36/29/572563629.db2.gz WWLXBUZDVNCNDZ-QMMMGPOBSA-N 0 0 179.254 2.762 10 0 AFAERN COCc1ccccc1OC1CCC1 238330871 572564080 /nfs/dbraw/zinc/56/40/80/572564080.db2.gz SPMMYTZHYSWJPM-UHFFFAOYSA-N 0 0 192.258 2.764 10 0 AFAERN Clc1cc2c(nc1Cl)CCC2 96510608 572564101 /nfs/dbraw/zinc/56/41/01/572564101.db2.gz UKTDMBVNWOWGIE-UHFFFAOYSA-N 0 0 188.057 2.877 10 0 AFAERN CO[C@H](C)[C@@H](O)C1=CCCCCCC1 234765207 572564220 /nfs/dbraw/zinc/56/42/20/572564220.db2.gz NJWAWQNQKIHHRD-ZYHUDNBSSA-N 0 0 198.306 2.663 10 0 AFAERN C[NH2+][C@@H](c1ccco1)C1C[C@@H]2C[C@@H]2C1 87564077 572564579 /nfs/dbraw/zinc/56/45/79/572564579.db2.gz VJMHPVMFZDWOJU-RXHRYUJKSA-N 0 0 191.274 2.586 10 0 AFAERN C/C=C\CN1CCc2ccccc21 165510453 572564602 /nfs/dbraw/zinc/56/46/02/572564602.db2.gz AQAGWQJFKZPYFW-IHWYPQMZSA-N 0 0 173.259 2.625 10 0 AFAERN CO/C=C/[C@@H](C)[C@@H](O)c1ccccc1 238333152 572564661 /nfs/dbraw/zinc/56/46/61/572564661.db2.gz BTLAIKMUYKMIGY-VCXMCINHSA-N 0 0 192.258 2.516 10 0 AFAERN OCC/C=C\CC=C(Cl)Cl 307818244 572565359 /nfs/dbraw/zinc/56/53/59/572565359.db2.gz WANVEANTMFDKII-UPHRSURJSA-N 0 0 181.062 2.634 10 0 AFAERN CCC/C=C(\CC)[C@H](C)O 307818200 572565472 /nfs/dbraw/zinc/56/54/72/572565472.db2.gz VXFNAXCUQUMXBB-INTFFVIUSA-N 0 0 142.242 2.504 10 0 AFAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(N)=O 35996076 572566112 /nfs/dbraw/zinc/56/61/12/572566112.db2.gz SLIAVDGEVKKHIC-OPRDCNLKSA-N 0 0 199.294 2.543 10 0 AFAERN CCOC(=O)N1CC[C@H](CC(C)C)C1 307819012 572566321 /nfs/dbraw/zinc/56/63/21/572566321.db2.gz WNEYURTXWAWQBG-SNVBAGLBSA-N 0 0 199.294 2.511 10 0 AFAERN CC(C)CC(C)(F)F 114543113 572566666 /nfs/dbraw/zinc/56/66/66/572566666.db2.gz CBDLMLQDFGGCPA-UHFFFAOYSA-N 0 0 122.158 2.688 10 0 AFAERN CC[C@@H](C)CC1(CO)C[C@@H]2C[C@@H]2C1 87567272 572566781 /nfs/dbraw/zinc/56/67/81/572566781.db2.gz HSIADPTZSFQSQL-YIBTVLSRSA-N 0 0 182.307 2.831 10 0 AFAERN O[C@@H](c1cccs1)C1C[C@@H]2C[C@@H]2C1 87565555 572566787 /nfs/dbraw/zinc/56/67/87/572566787.db2.gz PTDABMPBSXMDTM-GQEBFOJWSA-N 0 0 194.299 2.828 10 0 AFAERN Cc1cc(CCC(C)C)on1 45813924 572567091 /nfs/dbraw/zinc/56/70/91/572567091.db2.gz WLAZVVKLXMXIRB-UHFFFAOYSA-N 0 0 153.225 2.572 10 0 AFAERN CCCCC1(CO)C[C@@H]2C[C@@H]2C1 87567265 572567075 /nfs/dbraw/zinc/56/70/75/572567075.db2.gz WLZAWCBZGCWOFE-ZACCUICWSA-N 0 0 168.280 2.585 10 0 AFAERN C[C@@H](c1ccon1)C(C)(C)C 45813925 572567228 /nfs/dbraw/zinc/56/72/28/572567228.db2.gz DUAJRGUZQWUJSL-ZETCQYMHSA-N 0 0 153.225 2.824 10 0 AFAERN CCC(CC)[C@@H](O)c1cncs1 87573657 572567242 /nfs/dbraw/zinc/56/72/42/572567242.db2.gz LMGCMSRZZGSRLV-SECBINFHSA-N 0 0 185.292 2.613 10 0 AFAERN O[C@@H](C1=CCCC1)C1C[C@@H]2C[C@@H]2C1 87565623 572567303 /nfs/dbraw/zinc/56/73/03/572567303.db2.gz DHEMUUMBKCXIJU-MBYGNEARSA-N 0 0 178.275 2.504 10 0 AFAERN O[C@@H](C1=CCCCC1)C1C[C@@H]2C[C@@H]2C1 87565619 572567434 /nfs/dbraw/zinc/56/74/34/572567434.db2.gz JDIYOYFIWODNSG-HNGCFSAESA-N 0 0 192.302 2.894 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1cncs1 87573175 572567547 /nfs/dbraw/zinc/56/75/47/572567547.db2.gz ZBCJPLMWJFYRKN-SFYZADRCSA-N 0 0 185.292 2.613 10 0 AFAERN CC(=O)CS/C(Cl)=C\Cl 307816587 572567583 /nfs/dbraw/zinc/56/75/83/572567583.db2.gz KNMMALVFBIZXAT-DJWKRKHSSA-N 0 0 185.075 2.585 10 0 AFAERN CC(C)CCC1(CO)C[C@@H]2C[C@@H]2C1 87567322 572567601 /nfs/dbraw/zinc/56/76/01/572567601.db2.gz ZCEGHSAXAUUVIE-FOSCPWQOSA-N 0 0 182.307 2.831 10 0 AFAERN CC[C@H](C)CC1(CO)C[C@@H]2C[C@@H]2C1 87567274 572567630 /nfs/dbraw/zinc/56/76/30/572567630.db2.gz HSIADPTZSFQSQL-WSMDXJOWSA-N 0 0 182.307 2.831 10 0 AFAERN COCC(C)(C)C(=O)c1ccccc1 114525550 572567643 /nfs/dbraw/zinc/56/76/43/572567643.db2.gz HMKZFKOPELPSFO-UHFFFAOYSA-N 0 0 192.258 2.542 10 0 AFAERN O[C@@H](c1ccccc1)C1C[C@@H]2C[C@@H]2C1 87565531 572567650 /nfs/dbraw/zinc/56/76/50/572567650.db2.gz OSFBJAWHFBYVEK-HNGCFSAESA-N 0 0 188.270 2.766 10 0 AFAERN CCc1ccc2ccccc2c1CO 45817343 572567659 /nfs/dbraw/zinc/56/76/59/572567659.db2.gz HABUWZRIKXADJF-UHFFFAOYSA-N 0 0 186.254 2.895 10 0 AFAERN CCC/C=C(\CC)[C@@H](C)O 307818201 572567794 /nfs/dbraw/zinc/56/77/94/572567794.db2.gz VXFNAXCUQUMXBB-KGOFQHAKSA-N 0 0 142.242 2.504 10 0 AFAERN CCOC(=O)N1CC[C@@H](CC(C)C)C1 307819010 572567800 /nfs/dbraw/zinc/56/78/00/572567800.db2.gz WNEYURTXWAWQBG-JTQLQIEISA-N 0 0 199.294 2.511 10 0 AFAERN CC(C)CC[C@H](O)c1cncs1 87572888 572567885 /nfs/dbraw/zinc/56/78/85/572567885.db2.gz PWMBVWOPRLCUDI-QMMMGPOBSA-N 0 0 185.292 2.613 10 0 AFAERN CC[C@H](C)C[C@H](O)c1cncs1 87573177 572567908 /nfs/dbraw/zinc/56/79/08/572567908.db2.gz ZBCJPLMWJFYRKN-YUMQZZPRSA-N 0 0 185.292 2.613 10 0 AFAERN O=C(CCC1CC1)c1cncs1 87572568 572567954 /nfs/dbraw/zinc/56/79/54/572567954.db2.gz HWIYYDRCGGGXHX-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN O[C@H](c1cccs1)C1C[C@@H]2C[C@@H]2C1 87565558 572568000 /nfs/dbraw/zinc/56/80/00/572568000.db2.gz PTDABMPBSXMDTM-DYKKXSAXSA-N 0 0 194.299 2.828 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)C1C[C@@H]2C[C@@H]2C1 87566603 572568003 /nfs/dbraw/zinc/56/80/03/572568003.db2.gz KFIBLOMEWGPRAO-NVFWCSOASA-N 0 0 180.291 2.584 10 0 AFAERN CC(C)CC[C@@H](O)c1cncs1 87572890 572568163 /nfs/dbraw/zinc/56/81/63/572568163.db2.gz PWMBVWOPRLCUDI-MRVPVSSYSA-N 0 0 185.292 2.613 10 0 AFAERN C[C@@H]1Cc2[nH]c3c(C=O)cccc3c2C1 45813887 572568288 /nfs/dbraw/zinc/56/82/88/572568288.db2.gz GVGKCPAUHXJSFA-QMMMGPOBSA-N 0 0 199.253 2.715 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1cncs1 87573180 572568435 /nfs/dbraw/zinc/56/84/35/572568435.db2.gz ZBCJPLMWJFYRKN-JGVFFNPUSA-N 0 0 185.292 2.613 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1cncs1 87573179 572569629 /nfs/dbraw/zinc/56/96/29/572569629.db2.gz ZBCJPLMWJFYRKN-HTQZYQBOSA-N 0 0 185.292 2.613 10 0 AFAERN CCC(CC)C1(CO)C[C@@H]2C[C@@H]2C1 87567347 572568474 /nfs/dbraw/zinc/56/84/74/572568474.db2.gz GEQHSEIMFILFKJ-DHHPTOIESA-N 0 0 182.307 2.831 10 0 AFAERN CCc1c(C)c[nH]c1Cc1ccc[nH]1 45817562 572568486 /nfs/dbraw/zinc/56/84/86/572568486.db2.gz MTVFSXWQVDCIFF-UHFFFAOYSA-N 0 0 188.274 2.804 10 0 AFAERN O[C@H](CCc1ccc(F)cc1)C1CC1 84672658 572568535 /nfs/dbraw/zinc/56/85/35/572568535.db2.gz KPVCIVVGAJBEKS-GFCCVEGCSA-N 0 0 194.249 2.529 10 0 AFAERN CCC[C@H]1C[C@@]1(O)C1C[C@@H]2C[C@@H]2C1 87566605 572568580 /nfs/dbraw/zinc/56/85/80/572568580.db2.gz KFIBLOMEWGPRAO-FYNGSEEDSA-N 0 0 180.291 2.584 10 0 AFAERN CCC(CC)[C@H](O)c1cncs1 87573655 572568677 /nfs/dbraw/zinc/56/86/77/572568677.db2.gz LMGCMSRZZGSRLV-VIFPVBQESA-N 0 0 185.292 2.613 10 0 AFAERN C[C@H](c1ccon1)C(C)(C)C 45813928 572568764 /nfs/dbraw/zinc/56/87/64/572568764.db2.gz DUAJRGUZQWUJSL-SSDOTTSWSA-N 0 0 153.225 2.824 10 0 AFAERN c1nc2ccc3cocc3c2o1 45820515 572568831 /nfs/dbraw/zinc/56/88/31/572568831.db2.gz UPAJEXVBTBRWGH-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN OC1(C2C[C@@H]3C[C@@H]3C2)[C@H]2CCCC[C@H]21 87566609 572568882 /nfs/dbraw/zinc/56/88/82/572568882.db2.gz HXVVORLBHVFCRS-YVWQXTAVSA-N 0 0 192.302 2.584 10 0 AFAERN CCC[C@H]1C[C@]1(O)C1C[C@@H]2C[C@@H]2C1 87566601 572569006 /nfs/dbraw/zinc/56/90/06/572569006.db2.gz KFIBLOMEWGPRAO-GELBGOLNSA-N 0 0 180.291 2.584 10 0 AFAERN OCC1(CC2CCCC2)C[C@@H]2C[C@@H]2C1 87567232 572569075 /nfs/dbraw/zinc/56/90/75/572569075.db2.gz JOMDCPYOGBQKFI-FUNVUKJBSA-N 0 0 194.318 2.975 10 0 AFAERN O[C@@H](CCc1cccc(F)c1)C1CC1 84672654 572569078 /nfs/dbraw/zinc/56/90/78/572569078.db2.gz IVNSYRPBSIBTKL-LBPRGKRZSA-N 0 0 194.249 2.529 10 0 AFAERN CO/C=C/[C@H](C)[C@@H](O)c1ccccc1 238333649 572569095 /nfs/dbraw/zinc/56/90/95/572569095.db2.gz BTLAIKMUYKMIGY-SEOINYINSA-N 0 0 192.258 2.516 10 0 AFAERN CC[C@H](C)CC(=O)c1cncs1 87572480 572569126 /nfs/dbraw/zinc/56/91/26/572569126.db2.gz XRRVTTHCESXESF-ZETCQYMHSA-N 0 0 183.276 2.762 10 0 AFAERN CCCCC[C@@H](O)c1cncs1 87573142 572569495 /nfs/dbraw/zinc/56/94/95/572569495.db2.gz JQUWZNGXCKEVIU-MRVPVSSYSA-N 0 0 185.292 2.757 10 0 AFAERN CC(C)c1nc2c(F)cccc2[nH]1 45820711 572569539 /nfs/dbraw/zinc/56/95/39/572569539.db2.gz PHRLRWDNRNETNK-UHFFFAOYSA-N 0 0 178.210 2.825 10 0 AFAERN O[C@H](C1=CCCCC1)C1C[C@@H]2C[C@@H]2C1 87565621 572569572 /nfs/dbraw/zinc/56/95/72/572569572.db2.gz JDIYOYFIWODNSG-ZGVCCVRISA-N 0 0 192.302 2.894 10 0 AFAERN CCc1ccc(C(C)=O)cc1C 45796456 572569600 /nfs/dbraw/zinc/56/96/00/572569600.db2.gz UZOHPBKCNXJSOB-UHFFFAOYSA-N 0 0 162.232 2.760 10 0 AFAERN O[C@H](CCc1cccc(F)c1)C1CC1 84672655 572569669 /nfs/dbraw/zinc/56/96/69/572569669.db2.gz IVNSYRPBSIBTKL-GFCCVEGCSA-N 0 0 194.249 2.529 10 0 AFAERN c1nc2c(ccc3ccoc32)o1 45820526 572569693 /nfs/dbraw/zinc/56/96/93/572569693.db2.gz JNBOBWXVMMTWKS-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN O[C@H](c1ccccc1)C1C[C@@H]2C[C@@H]2C1 87565534 572569793 /nfs/dbraw/zinc/56/97/93/572569793.db2.gz OSFBJAWHFBYVEK-ZGVCCVRISA-N 0 0 188.270 2.766 10 0 AFAERN CCCCCC(=O)c1cncs1 87572467 572569799 /nfs/dbraw/zinc/56/97/99/572569799.db2.gz UCCJYLCYPNDEPQ-UHFFFAOYSA-N 0 0 183.276 2.906 10 0 AFAERN CC(C)c1ccc(=S)[nH]c1 45808782 572569812 /nfs/dbraw/zinc/56/98/12/572569812.db2.gz WJGKONQJLIXNHZ-UHFFFAOYSA-N 0 0 153.250 2.868 10 0 AFAERN CCC[C@@H]1C[C@]1(O)C1C[C@@H]2C[C@@H]2C1 87566598 572569840 /nfs/dbraw/zinc/56/98/40/572569840.db2.gz KFIBLOMEWGPRAO-FPUZONBQSA-N 0 0 180.291 2.584 10 0 AFAERN CCCCCC1(CO)C[C@@H]2C[C@@H]2C1 87567245 572569883 /nfs/dbraw/zinc/56/98/83/572569883.db2.gz JHEFSJFQVCXVFL-FOSCPWQOSA-N 0 0 182.307 2.975 10 0 AFAERN c1cc2c(ccc3ocnc32)o1 45820537 572569928 /nfs/dbraw/zinc/56/99/28/572569928.db2.gz HYGAISRIXKFCCU-UHFFFAOYSA-N 0 0 159.144 2.574 10 0 AFAERN CCC(CC)C(=O)c1cncs1 87572869 572570270 /nfs/dbraw/zinc/57/02/70/572570270.db2.gz OIMQTVCHQLNGIW-UHFFFAOYSA-N 0 0 183.276 2.762 10 0 AFAERN C/C=C\[C@@H](O)CC1CCCCC1 210995333 572569989 /nfs/dbraw/zinc/56/99/89/572569989.db2.gz INYYASVSAVNQBX-WPPTZLTKSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@H](C)CC(=O)c1cncs1 87572478 572570091 /nfs/dbraw/zinc/57/00/91/572570091.db2.gz XRRVTTHCESXESF-SSDOTTSWSA-N 0 0 183.276 2.762 10 0 AFAERN C[C@H]1Cc2[nH]c3c(C=O)cccc3c2C1 45813885 572570205 /nfs/dbraw/zinc/57/02/05/572570205.db2.gz GVGKCPAUHXJSFA-MRVPVSSYSA-N 0 0 199.253 2.715 10 0 AFAERN C[C@H](c1ccno1)C(C)(C)C 45813912 572570300 /nfs/dbraw/zinc/57/03/00/572570300.db2.gz NOGRMJIHTVUAOW-SSDOTTSWSA-N 0 0 153.225 2.824 10 0 AFAERN O[C@@H](CCc1ccc(F)cc1)C1CC1 84672657 572570307 /nfs/dbraw/zinc/57/03/07/572570307.db2.gz KPVCIVVGAJBEKS-LBPRGKRZSA-N 0 0 194.249 2.529 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)C1(C)CC1 87550399 572570741 /nfs/dbraw/zinc/57/07/41/572570741.db2.gz BBTONGWBYDGSQX-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN CN(C)c1onc2cccc(Cl)c12 107086795 572570765 /nfs/dbraw/zinc/57/07/65/572570765.db2.gz QIOBYBQWHZENGQ-UHFFFAOYSA-N 0 0 196.637 2.547 10 0 AFAERN CC1([C@@H](O)CCc2ccccc2)CC1 87549607 572570969 /nfs/dbraw/zinc/57/09/69/572570969.db2.gz JELXSNXZPWPFOA-LBPRGKRZSA-N 0 0 190.286 2.780 10 0 AFAERN CC1(C(=O)CCC[C@H]2CCCO2)CC1 87549374 572571027 /nfs/dbraw/zinc/57/10/27/572571027.db2.gz RSBRDCNOOTYUOA-JTQLQIEISA-N 0 0 196.290 2.705 10 0 AFAERN CCC[C@@H](C)C[C@H](O)C1(C)CC1 87550395 572571104 /nfs/dbraw/zinc/57/11/04/572571104.db2.gz BBTONGWBYDGSQX-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](C)C[C@@H](O)C1(C)CC1 87550400 572571181 /nfs/dbraw/zinc/57/11/81/572571181.db2.gz BBTONGWBYDGSQX-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN CC1([C@@H](O)CCc2cccs2)CC1 87550120 572571304 /nfs/dbraw/zinc/57/13/04/572571304.db2.gz IHCIZFFUUWTNNW-JTQLQIEISA-N 0 0 196.315 2.842 10 0 AFAERN CC1([C@@H](O)CCc2ccsc2)CC1 87550281 572571375 /nfs/dbraw/zinc/57/13/75/572571375.db2.gz RKKORUKNFGCVKC-JTQLQIEISA-N 0 0 196.315 2.842 10 0 AFAERN C[C@@](O)(c1c(F)cccc1F)C1CC1 69758826 572571536 /nfs/dbraw/zinc/57/15/36/572571536.db2.gz IHMPLBVCKOHTRQ-NSHDSACASA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@](C)(O)c1c(F)cccc1F 69758821 572571664 /nfs/dbraw/zinc/57/16/64/572571664.db2.gz SZWNORSWMSKDOK-JTQLQIEISA-N 0 0 186.201 2.582 10 0 AFAERN C[C@](O)(c1c(F)cccc1F)C1CC1 69758827 572571808 /nfs/dbraw/zinc/57/18/08/572571808.db2.gz IHMPLBVCKOHTRQ-LLVKDONJSA-N 0 0 198.212 2.582 10 0 AFAERN CCC[C@H](C)C[C@H](O)C1(C)CC1 87550397 572571815 /nfs/dbraw/zinc/57/18/15/572571815.db2.gz BBTONGWBYDGSQX-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)C(=O)OC(C)(C)CC 114589550 572571893 /nfs/dbraw/zinc/57/18/93/572571893.db2.gz NVLWQJAVRYGROL-MRVPVSSYSA-N 0 0 172.268 2.764 10 0 AFAERN CC1(C(=O)CCc2ccccc2)CC1 87549036 572572003 /nfs/dbraw/zinc/57/20/03/572572003.db2.gz JOEGRQHTFQIAHP-UHFFFAOYSA-N 0 0 188.270 2.988 10 0 AFAERN CC1(C(=O)CCC[C@@H]2CCCO2)CC1 87549371 572572170 /nfs/dbraw/zinc/57/21/70/572572170.db2.gz RSBRDCNOOTYUOA-SNVBAGLBSA-N 0 0 196.290 2.705 10 0 AFAERN CC(=O)NC/C=C(/C)CCC=C(C)C 114608362 572572191 /nfs/dbraw/zinc/57/21/91/572572191.db2.gz CJEIWYRAGBZMAB-FLIBITNWSA-N 0 0 195.306 2.815 10 0 AFAERN C=C/C=C\CCCc1cc(C)nn1C 713726253 572572242 /nfs/dbraw/zinc/57/22/42/572572242.db2.gz STLDDCCGRDFSOG-WAYWQWQTSA-N 0 0 190.290 2.793 10 0 AFAERN CC1([C@H](O)CCc2cccs2)CC1 87550119 572572279 /nfs/dbraw/zinc/57/22/79/572572279.db2.gz IHCIZFFUUWTNNW-SNVBAGLBSA-N 0 0 196.315 2.842 10 0 AFAERN CC[C@H](C)C(=O)OC1(C)CCCC1 114588682 572572333 /nfs/dbraw/zinc/57/23/33/572572333.db2.gz KKFITXGSYOGADJ-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN C=C/C=C/CCCc1cc(C)nn1C 713726252 572572380 /nfs/dbraw/zinc/57/23/80/572572380.db2.gz STLDDCCGRDFSOG-AATRIKPKSA-N 0 0 190.290 2.793 10 0 AFAERN CC(C)Oc1ccc2c(c1)C[C@H](C)N2 713726140 572572441 /nfs/dbraw/zinc/57/24/41/572572441.db2.gz GZHKVIGJPXAOGT-VIFPVBQESA-N 0 0 191.274 2.830 10 0 AFAERN CC(C)(C)CC[C@H](O)C1(C)CC1 87549672 572572802 /nfs/dbraw/zinc/57/28/02/572572802.db2.gz AASUKVWVCHQDJI-VIFPVBQESA-N 0 0 170.296 2.974 10 0 AFAERN CCCCC[C@H](O)C1(C)CC1 87549736 572572835 /nfs/dbraw/zinc/57/28/35/572572835.db2.gz KTDWONFCEMJZNL-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@H](CC(F)(F)F)[C@@H](O)C1CC1 402663019 572572871 /nfs/dbraw/zinc/57/28/71/572572871.db2.gz XMGPXRFCNFPNFI-HTRCEHHLSA-N 0 0 196.212 2.736 10 0 AFAERN CCC(CC)C(=O)c1cc[nH]c1 84717785 572573070 /nfs/dbraw/zinc/57/30/70/572573070.db2.gz ITARAVXWKWAHBT-UHFFFAOYSA-N 0 0 165.236 2.634 10 0 AFAERN CCCCCC(=O)C1(C)CC1 87548952 572573137 /nfs/dbraw/zinc/57/31/37/572573137.db2.gz ZCIMEWBABLOZJJ-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CC1(C(=O)CCC(F)(F)F)CC1 87548956 572573187 /nfs/dbraw/zinc/57/31/87/572573187.db2.gz XZFZNOJKTDCLIW-UHFFFAOYSA-N 0 0 180.169 2.698 10 0 AFAERN CC1([C@H](O)CCc2ccsc2)CC1 87550279 572573262 /nfs/dbraw/zinc/57/32/62/572573262.db2.gz RKKORUKNFGCVKC-SNVBAGLBSA-N 0 0 196.315 2.842 10 0 AFAERN CC(C)Oc1ccc2c(c1)C[C@@H](C)N2 713726137 572573537 /nfs/dbraw/zinc/57/35/37/572573537.db2.gz GZHKVIGJPXAOGT-SECBINFHSA-N 0 0 191.274 2.830 10 0 AFAERN Cc1cc(C)nc(SCC(C)C)n1 45951933 572573540 /nfs/dbraw/zinc/57/35/40/572573540.db2.gz ACANWURZCGNPJC-UHFFFAOYSA-N 0 0 196.319 2.842 10 0 AFAERN CCCSc1nc(C)cc(C)n1 45951927 572573670 /nfs/dbraw/zinc/57/36/70/572573670.db2.gz SJWNRMMXSOWEKL-UHFFFAOYSA-N 0 0 182.292 2.596 10 0 AFAERN CC[C@@](C)(O)c1c(F)cccc1F 69758823 572573718 /nfs/dbraw/zinc/57/37/18/572573718.db2.gz SZWNORSWMSKDOK-SNVBAGLBSA-N 0 0 186.201 2.582 10 0 AFAERN CCCCC[C@@H](O)C1(C)CC1 87549738 572573767 /nfs/dbraw/zinc/57/37/67/572573767.db2.gz KTDWONFCEMJZNL-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@H](C)C(=O)OC1(C)CCCC1 114588679 572573898 /nfs/dbraw/zinc/57/38/98/572573898.db2.gz KKFITXGSYOGADJ-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN CC[C@@H](CC(F)(F)F)[C@H](O)C1CC1 402663036 572573904 /nfs/dbraw/zinc/57/39/04/572573904.db2.gz XMGPXRFCNFPNFI-XPUUQOCRSA-N 0 0 196.212 2.736 10 0 AFAERN CC1([C@H](O)CCc2ccccc2)CC1 87549605 572573919 /nfs/dbraw/zinc/57/39/19/572573919.db2.gz JELXSNXZPWPFOA-GFCCVEGCSA-N 0 0 190.286 2.780 10 0 AFAERN CCCC(=O)N[C@H](C)C(CC)CC 84735213 572574064 /nfs/dbraw/zinc/57/40/64/572574064.db2.gz KHLIXZIDEHCBHM-SECBINFHSA-N 0 0 185.311 2.727 10 0 AFAERN CC(=O)n1ccc2cccc(Cl)c21 39594499 572574122 /nfs/dbraw/zinc/57/41/22/572574122.db2.gz TUGOKAAMTZRALU-UHFFFAOYSA-N 0 0 193.633 2.955 10 0 AFAERN CC[C@H](C)C(=O)OC(C)(C)CC 114589552 572574176 /nfs/dbraw/zinc/57/41/76/572574176.db2.gz NVLWQJAVRYGROL-QMMMGPOBSA-N 0 0 172.268 2.764 10 0 AFAERN Cc1noc(-c2c[nH]c3ccccc23)n1 45893896 572574229 /nfs/dbraw/zinc/57/42/29/572574229.db2.gz KSDHQLPOJKSBQL-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN CCCC(=O)N[C@@H](C)C(CC)CC 84735212 572574242 /nfs/dbraw/zinc/57/42/42/572574242.db2.gz KHLIXZIDEHCBHM-VIFPVBQESA-N 0 0 185.311 2.727 10 0 AFAERN CCC(CC)[C@H](C)NC(=O)C(C)C 84735211 572574335 /nfs/dbraw/zinc/57/43/35/572574335.db2.gz LYRVJIHFHYNORG-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@H](C)CC(=O)CC1CC1 87580709 572574346 /nfs/dbraw/zinc/57/43/46/572574346.db2.gz KSZRJRPHAXOOPF-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](C)CC(=O)CC1CC1 87580707 572574349 /nfs/dbraw/zinc/57/43/49/572574349.db2.gz KSZRJRPHAXOOPF-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN O[C@@H](CCc1ccsc1)CC1CC1 87581479 572574460 /nfs/dbraw/zinc/57/44/60/572574460.db2.gz LMHWRSBFCDZSMB-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@H](C)C[C@@H](O)CC1CC1 87581553 572574642 /nfs/dbraw/zinc/57/46/42/572574642.db2.gz YRSZSJONWQWCHT-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN O=C(c1ccco1)C1C[C@@H]2C[C@@H]2C1 87563833 572574689 /nfs/dbraw/zinc/57/46/89/572574689.db2.gz IOWQRZFCMDISMI-JVHMLUBASA-N 0 0 176.215 2.508 10 0 AFAERN CC(C)(C)CC[C@@H](O)CC1CC1 87581100 572574707 /nfs/dbraw/zinc/57/47/07/572574707.db2.gz OSTUENAIBPMTFM-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN CC/C(NC(C)=O)=C1/C=CCCC1 308068747 572574777 /nfs/dbraw/zinc/57/47/77/572574777.db2.gz ZSPWMGDZCQKOEY-ZHACJKMWSA-N 0 0 179.263 2.527 10 0 AFAERN O[C@H](CCc1cccs1)CC1CC1 87581368 572574779 /nfs/dbraw/zinc/57/47/79/572574779.db2.gz OUVHVHFSFIJDSO-SNVBAGLBSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@H](CCc1ccsc1)CC1CC1 87581481 572574852 /nfs/dbraw/zinc/57/48/52/572574852.db2.gz LMHWRSBFCDZSMB-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN O=C(c1ccccc1)C1C[C@@H]2C[C@@H]2C1 87563789 572574970 /nfs/dbraw/zinc/57/49/70/572574970.db2.gz XJYWBMWVBPTYRL-FOSCPWQOSA-N 0 0 186.254 2.915 10 0 AFAERN CCCCC[C@@H](O)CC1CC1 87581153 572575149 /nfs/dbraw/zinc/57/51/49/572575149.db2.gz MIEVHVQTKSVPIP-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN O=C(CCC[C@@H]1CCCO1)CC1CC1 87580956 572575239 /nfs/dbraw/zinc/57/52/39/572575239.db2.gz MRUCHLUQVARYBH-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN CCSCC(=O)CC(C)(C)C 713305900 572575257 /nfs/dbraw/zinc/57/52/57/572575257.db2.gz LMBPDGJPBWNIMX-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CCC(C)(C)C[C@H]1COC(C)(C)C1=O 713303117 572575329 /nfs/dbraw/zinc/57/53/29/572575329.db2.gz XDGWDSHWLNYPEP-VIFPVBQESA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)(C)CC(=O)[C@@]1(C)CCCCO1 713314568 572575346 /nfs/dbraw/zinc/57/53/46/572575346.db2.gz LQYRJLVUECZTNE-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(C)(C)C[C@@H]1COC(C)(C)C1=O 713303116 572575397 /nfs/dbraw/zinc/57/53/97/572575397.db2.gz XDGWDSHWLNYPEP-SECBINFHSA-N 0 0 198.306 2.807 10 0 AFAERN O[C@H](CC1CCCC1)CC1CC1 87581022 572575433 /nfs/dbraw/zinc/57/54/33/572575433.db2.gz JTIKYSAPTLMIHF-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)(C)CC[C@H](O)CC1CC1 87581099 572575485 /nfs/dbraw/zinc/57/54/85/572575485.db2.gz OSTUENAIBPMTFM-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN COCc1cccc(OC2CCC2)c1 238337104 572575510 /nfs/dbraw/zinc/57/55/10/572575510.db2.gz BYCMCTSZURXLCV-UHFFFAOYSA-N 0 0 192.258 2.764 10 0 AFAERN CO[C@H]1C[C@H]1C(=O)CC(C)(C)C(C)C 713305572 572575539 /nfs/dbraw/zinc/57/55/39/572575539.db2.gz IQOSOJFUKJPWMA-ONGXEEELSA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@@H](C)C[C@@H](O)CC1CC1 87581171 572575599 /nfs/dbraw/zinc/57/55/99/572575599.db2.gz YKMQFOJUOGTMQE-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)CC1CC1 87581551 572575738 /nfs/dbraw/zinc/57/57/38/572575738.db2.gz YRSZSJONWQWCHT-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCOC(C)(C)C(=O)CC(C)(C)C 713314575 572575946 /nfs/dbraw/zinc/57/59/46/572575946.db2.gz MEAXDRNZESCKJH-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)(C)CC(=O)[C@]1(C)CCCCO1 713314569 572575960 /nfs/dbraw/zinc/57/59/60/572575960.db2.gz LQYRJLVUECZTNE-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](C)C[C@H](O)CC1CC1 87581169 572575994 /nfs/dbraw/zinc/57/59/94/572575994.db2.gz YKMQFOJUOGTMQE-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CCO[C@H](C(=O)CC(C)(C)C)C1CC1 713314150 572575995 /nfs/dbraw/zinc/57/59/95/572575995.db2.gz AEVARPIXINEPID-NSHDSACASA-N 0 0 198.306 2.807 10 0 AFAERN CCO[C@@H](C(=O)CC(C)(C)C)C1CC1 713314146 572576160 /nfs/dbraw/zinc/57/61/60/572576160.db2.gz AEVARPIXINEPID-LLVKDONJSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(C)(C)CC(=O)c1csnn1 713314197 572576165 /nfs/dbraw/zinc/57/61/65/572576165.db2.gz DMAIYDOYXLFBFX-UHFFFAOYSA-N 0 0 198.291 2.547 10 0 AFAERN COC(=C=CCCO)C1=CCCCC1 238340331 572577606 /nfs/dbraw/zinc/57/76/06/572577606.db2.gz ISHYETBCMLHCPT-UHFFFAOYSA-N 0 0 194.274 2.555 10 0 AFAERN CCC[C@H](C)C[C@H](O)CC1CC1 87581549 572576213 /nfs/dbraw/zinc/57/62/13/572576213.db2.gz YRSZSJONWQWCHT-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)(C)CC(=O)c1ccc(F)cn1 713314260 572576230 /nfs/dbraw/zinc/57/62/30/572576230.db2.gz IRRTZEUNCGHHFF-UHFFFAOYSA-N 0 0 195.237 2.840 10 0 AFAERN Cc1nc(C(=O)CC(C)(C)C)co1 713305944 572576441 /nfs/dbraw/zinc/57/64/41/572576441.db2.gz NSXQOHRFJIVQEG-UHFFFAOYSA-N 0 0 181.235 2.602 10 0 AFAERN CCC(C)(C)CC(=O)[C@H]1COC[C@@H]1C 713351309 572578798 /nfs/dbraw/zinc/57/87/98/572578798.db2.gz GOPUVASAYBXVDM-UWVGGRQHSA-N 0 0 198.306 2.664 10 0 AFAERN CCC(CC)[C@H](O)CC1CC1 87581535 572576511 /nfs/dbraw/zinc/57/65/11/572576511.db2.gz YTSJTFGKDCNNHM-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CCCCCC(=O)CC1CC1 87580702 572576528 /nfs/dbraw/zinc/57/65/28/572576528.db2.gz STCXCDGURHKXDI-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CCCC[C@H](C)C(=O)[C@H]1CCCOC1 300938051 572576534 /nfs/dbraw/zinc/57/65/34/572576534.db2.gz NMECNTXJWSAOFP-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H](C)C[C@H](O)CC1CC1 87581166 572576591 /nfs/dbraw/zinc/57/65/91/572576591.db2.gz YKMQFOJUOGTMQE-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC[C@H](C)C(=O)[C@@H]1CCCOC1 300938055 572576602 /nfs/dbraw/zinc/57/66/02/572576602.db2.gz NMECNTXJWSAOFP-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CO[C@@H]1C[C@H]1C(=O)CC(C)(C)C(C)C 713305569 572576688 /nfs/dbraw/zinc/57/66/88/572576688.db2.gz IQOSOJFUKJPWMA-GXSJLCMTSA-N 0 0 198.306 2.663 10 0 AFAERN O=C(CCC1CC1)CC1CC1 87580780 572576699 /nfs/dbraw/zinc/57/66/99/572576699.db2.gz OMZIRHXYFORWLT-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CCC[C@@H](C)C[C@H](O)CC1CC1 87581547 572576724 /nfs/dbraw/zinc/57/67/24/572576724.db2.gz YRSZSJONWQWCHT-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN O=NCc1ccccc1Cl 114622620 572576730 /nfs/dbraw/zinc/57/67/30/572576730.db2.gz YNYSBYHKTYGZAI-UHFFFAOYSA-N 0 0 155.584 2.606 10 0 AFAERN CCCC[C@@H](C)C(=O)[C@H]1CCCOC1 300938049 572576736 /nfs/dbraw/zinc/57/67/36/572576736.db2.gz NMECNTXJWSAOFP-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CCC[C@H](CC(C)C)[C@H](CC)NN 308069321 572580406 /nfs/dbraw/zinc/58/04/06/572580406.db2.gz OJPYTUIUIGOZJN-MNOVXSKESA-N 0 0 186.343 2.691 10 0 AFAERN Cc1ccc(C(=O)C2C[C@@H]3C[C@@H]3C2)o1 87563835 572576825 /nfs/dbraw/zinc/57/68/25/572576825.db2.gz NIOCOIWQLNYOSJ-ULKQDVFKSA-N 0 0 190.242 2.817 10 0 AFAERN CC(C)(C)c1ncnc2ccccc12 114622073 572576963 /nfs/dbraw/zinc/57/69/63/572576963.db2.gz DQBLDODOFYOPBJ-UHFFFAOYSA-N 0 0 186.258 2.927 10 0 AFAERN CCC(CC)[C@@H](O)CC1CC1 87581537 572576986 /nfs/dbraw/zinc/57/69/86/572576986.db2.gz YTSJTFGKDCNNHM-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CCC(CC)C(=O)CC1CC1 87580976 572577023 /nfs/dbraw/zinc/57/70/23/572577023.db2.gz BVXBUZILOZVFLH-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CO[C@H]1C[C@@H]1C(=O)CC(C)(C)C(C)C 713305570 572577025 /nfs/dbraw/zinc/57/70/25/572577025.db2.gz IQOSOJFUKJPWMA-KOLCDFICSA-N 0 0 198.306 2.663 10 0 AFAERN O=C(c1cccs1)C1C[C@@H]2C[C@@H]2C1 87563800 572577034 /nfs/dbraw/zinc/57/70/34/572577034.db2.gz XDFRHFDAZYSUCH-JVHMLUBASA-N 0 0 192.283 2.977 10 0 AFAERN CO[C@@H]1C[C@@H]1C(=O)CC(C)(C)C(C)C 713305571 572577042 /nfs/dbraw/zinc/57/70/42/572577042.db2.gz IQOSOJFUKJPWMA-MWLCHTKSSA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@H](C)C[C@@H](O)CC1CC1 87581172 572577103 /nfs/dbraw/zinc/57/71/03/572577103.db2.gz YKMQFOJUOGTMQE-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN COCC1(CC(=O)CC(C)(C)C)CC1 713306065 572577249 /nfs/dbraw/zinc/57/72/49/572577249.db2.gz QLQMVLCNSVLTIF-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCOC(=O)N[C@H](C)C(CC)CC 84735216 572577320 /nfs/dbraw/zinc/57/73/20/572577320.db2.gz IQWHRSFWMZWLLC-MRVPVSSYSA-N 0 0 187.283 2.557 10 0 AFAERN CCCCC[C@H](O)CC1CC1 87581151 572577596 /nfs/dbraw/zinc/57/75/96/572577596.db2.gz MIEVHVQTKSVPIP-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN O[C@@H](CCc1cccs1)CC1CC1 87581366 572577601 /nfs/dbraw/zinc/57/76/01/572577601.db2.gz OUVHVHFSFIJDSO-JTQLQIEISA-N 0 0 196.315 2.842 10 0 AFAERN CCC(C)(C)CC(=O)C1CC(OC)C1 713351904 572577756 /nfs/dbraw/zinc/57/77/56/572577756.db2.gz RQJRVVCFHZPYPR-UHFFFAOYSA-N 0 0 198.306 2.807 10 0 AFAERN CCC[C@H](CC(C)C)[C@@H](CC)NN 308069319 572578187 /nfs/dbraw/zinc/57/81/87/572578187.db2.gz OJPYTUIUIGOZJN-GHMZBOCLSA-N 0 0 186.343 2.691 10 0 AFAERN CC(C)(C)CC(=O)[C@H]1CCCCO1 713342274 572578211 /nfs/dbraw/zinc/57/82/11/572578211.db2.gz MBYRPHXFNUTPPY-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)c1cn(C)c2ncccc12 114652067 572578307 /nfs/dbraw/zinc/57/83/07/572578307.db2.gz OVZNRIOOZMAQJK-UHFFFAOYSA-N 0 0 174.247 2.697 10 0 AFAERN OCCCCCCCC(F)(F)F 114705200 572579077 /nfs/dbraw/zinc/57/90/77/572579077.db2.gz OOWVCEMPBIOZRW-UHFFFAOYSA-N 0 0 184.201 2.882 10 0 AFAERN CCC[C@@H](CC(C)C)[C@H](CC)NN 308069323 572579135 /nfs/dbraw/zinc/57/91/35/572579135.db2.gz OJPYTUIUIGOZJN-QWRGUYRKSA-N 0 0 186.343 2.691 10 0 AFAERN CCCSc1cc(N)n(C(C)C)n1 87584381 572579280 /nfs/dbraw/zinc/57/92/80/572579280.db2.gz YBZPHGDESHLHJQ-UHFFFAOYSA-N 0 0 199.323 2.548 10 0 AFAERN CCC(CC)n1nc(SC)cc1N 87584278 572579482 /nfs/dbraw/zinc/57/94/82/572579482.db2.gz SJKYFYWVSSDDRI-UHFFFAOYSA-N 0 0 199.323 2.548 10 0 AFAERN CCC[C@@H](CC(C)C)[C@@H](CC)NN 308069324 572579489 /nfs/dbraw/zinc/57/94/89/572579489.db2.gz OJPYTUIUIGOZJN-WDEREUQCSA-N 0 0 186.343 2.691 10 0 AFAERN CCC(C)(C)CC(=O)[C@@H]1COC[C@@H]1C 713351310 572579870 /nfs/dbraw/zinc/57/98/70/572579870.db2.gz GOPUVASAYBXVDM-VHSXEESVSA-N 0 0 198.306 2.664 10 0 AFAERN CCSc1cc(N)n([C@H](C)CC)n1 87584399 572580376 /nfs/dbraw/zinc/58/03/76/572580376.db2.gz HHRRGCYKMLJZAJ-SSDOTTSWSA-N 0 0 199.323 2.548 10 0 AFAERN CCC(C)(C)CC(=O)[C@H]1COC[C@H]1C 713351311 572580997 /nfs/dbraw/zinc/58/09/97/572580997.db2.gz GOPUVASAYBXVDM-ZJUUUORDSA-N 0 0 198.306 2.664 10 0 AFAERN CCC(C)(C)CC(=O)[C@@H]1COC[C@H]1C 713351308 572581165 /nfs/dbraw/zinc/58/11/65/572581165.db2.gz GOPUVASAYBXVDM-NXEZZACHSA-N 0 0 198.306 2.664 10 0 AFAERN CCCC/C=C/C1=C(C)C(=O)OC1 713351768 572581404 /nfs/dbraw/zinc/58/14/04/572581404.db2.gz PCVAKBDFIAALGO-VOTSOKGWSA-N 0 0 180.247 2.606 10 0 AFAERN O=C(/C=C\C1CCC1)OCC1CCC1 713351892 572581491 /nfs/dbraw/zinc/58/14/91/572581491.db2.gz RHTKOLLIBJDYOA-FPLPWBNLSA-N 0 0 194.274 2.686 10 0 AFAERN CCSc1cc(N)n([C@@H](C)CC)n1 87584400 572581581 /nfs/dbraw/zinc/58/15/81/572581581.db2.gz HHRRGCYKMLJZAJ-ZETCQYMHSA-N 0 0 199.323 2.548 10 0 AFAERN CC[C@@H](C)CSCCC1(O)CC1 308066471 572581794 /nfs/dbraw/zinc/58/17/94/572581794.db2.gz YURQBRXBHJAZQC-SECBINFHSA-N 0 0 188.336 2.681 10 0 AFAERN C[C@@H]1O[C@H](C)C[C@@H]1C(=O)CC(C)(C)C 713338296 572582252 /nfs/dbraw/zinc/58/22/52/572582252.db2.gz BMWLZFVEQJHDOT-UTLUCORTSA-N 0 0 198.306 2.805 10 0 AFAERN CC(C)(C)CC(=O)[C@@H]1CCCCO1 713342268 572582338 /nfs/dbraw/zinc/58/23/38/572582338.db2.gz MBYRPHXFNUTPPY-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN Cc1cc(Cl)cc(Cl)c1NN 96525839 572582564 /nfs/dbraw/zinc/58/25/64/572582564.db2.gz VSTLORSYWMHRSY-UHFFFAOYSA-N 0 0 191.061 2.587 10 0 AFAERN CC[C@H](C)CSCCC1(O)CC1 308066473 572582960 /nfs/dbraw/zinc/58/29/60/572582960.db2.gz YURQBRXBHJAZQC-VIFPVBQESA-N 0 0 188.336 2.681 10 0 AFAERN c1ccc(-c2cc3ccnc-3[n-][nH+]2)cc1 117305340 572582984 /nfs/dbraw/zinc/58/29/84/572582984.db2.gz RQGGHNMYNMIPTE-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CCC(=O)c1cnn(CC(C)(C)C)c1 713359020 572583668 /nfs/dbraw/zinc/58/36/68/572583668.db2.gz RELXALANCJHNCI-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CC(C)c1nc2sc(N)cc2o1 74300544 572583864 /nfs/dbraw/zinc/58/38/64/572583864.db2.gz FSJSGNDMWMGLEF-UHFFFAOYSA-N 0 0 182.248 2.595 10 0 AFAERN CC(C)c1nc2cc(N)oc2s1 74300539 572584149 /nfs/dbraw/zinc/58/41/49/572584149.db2.gz CHNLGPMNFYAVPM-UHFFFAOYSA-N 0 0 182.248 2.595 10 0 AFAERN CC[C@H](C)[C@@H](C)[C@H](O)c1ccns1 404456290 572585350 /nfs/dbraw/zinc/58/53/50/572585350.db2.gz VZULCERODQRPFP-XKSSXDPKSA-N 0 0 199.319 2.859 10 0 AFAERN CC[C@@H](CC(C)C)[C@H](NN)C(C)C 308068597 572586089 /nfs/dbraw/zinc/58/60/89/572586089.db2.gz NZZDQPIZMHSCFW-WDEREUQCSA-N 0 0 186.343 2.547 10 0 AFAERN CC[C@H](CC(C)C)[C@H](NN)C(C)C 308068594 572586121 /nfs/dbraw/zinc/58/61/21/572586121.db2.gz NZZDQPIZMHSCFW-GHMZBOCLSA-N 0 0 186.343 2.547 10 0 AFAERN C[C@H](O)CC[C@@H](C)CC(F)(F)F 402890829 572586156 /nfs/dbraw/zinc/58/61/56/572586156.db2.gz LQYJTCCGGNUVRT-RQJHMYQMSA-N 0 0 184.201 2.736 10 0 AFAERN CC(C)c1nc2coc(N)c2s1 74300537 572586267 /nfs/dbraw/zinc/58/62/67/572586267.db2.gz UXVZYZKQFQNSSK-UHFFFAOYSA-N 0 0 182.248 2.595 10 0 AFAERN CCC(C)(C)CC(=O)COC1CCC1 713371314 572586860 /nfs/dbraw/zinc/58/68/60/572586860.db2.gz LWCVIVRFGHSPKL-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN C/C=C(/CC)[C@H](NC(C)=O)C(C)C 308068164 572587099 /nfs/dbraw/zinc/58/70/99/572587099.db2.gz ZHWZHTMSNAMYBW-SDKXAQGSSA-N 0 0 183.295 2.503 10 0 AFAERN CC[C@H](CC(C)C)[C@@H](NN)C(C)C 308068595 572587311 /nfs/dbraw/zinc/58/73/11/572587311.db2.gz NZZDQPIZMHSCFW-MNOVXSKESA-N 0 0 186.343 2.547 10 0 AFAERN CC[C@@H](CC(C)C)[C@@H](NN)C(C)C 308068596 572587393 /nfs/dbraw/zinc/58/73/93/572587393.db2.gz NZZDQPIZMHSCFW-QWRGUYRKSA-N 0 0 186.343 2.547 10 0 AFAERN CC(C)(C)CCc1cccnc1N 69841395 572587771 /nfs/dbraw/zinc/58/77/71/572587771.db2.gz ORTHYQRHXUUBOV-UHFFFAOYSA-N 0 0 178.279 2.643 10 0 AFAERN CC(C)C/C(=C\C1CCC1)[N+](=O)[O-] 87585874 572588118 /nfs/dbraw/zinc/58/81/18/572588118.db2.gz XMAMCJNAKMRMSR-JXMROGBWSA-N 0 0 183.251 2.993 10 0 AFAERN C=Cc1cc(CO)ccc1OC(C)C 114858275 572588132 /nfs/dbraw/zinc/58/81/32/572588132.db2.gz IOSRYBKLBAOKBV-UHFFFAOYSA-N 0 0 192.258 2.609 10 0 AFAERN CCc1cc(CC)n(C/C=C\Cl)n1 308067739 572588866 /nfs/dbraw/zinc/58/88/66/572588866.db2.gz MMPFBHYWCKTMNM-WAYWQWQTSA-N 0 0 198.697 2.760 10 0 AFAERN C/C=C(/CC)[C@@H](NC(C)=O)C(C)C 308068166 572588997 /nfs/dbraw/zinc/58/89/97/572588997.db2.gz ZHWZHTMSNAMYBW-YAEJEKNGSA-N 0 0 183.295 2.503 10 0 AFAERN Clc1cccc(-c2cccnn2)c1 114835259 572589263 /nfs/dbraw/zinc/58/92/63/572589263.db2.gz PDKSTDVKVXNGLD-UHFFFAOYSA-N 0 0 190.633 2.797 10 0 AFAERN CCCC[C@H](C(N)=O)C1CCCCC1 114867298 572589307 /nfs/dbraw/zinc/58/93/07/572589307.db2.gz IMNVUUHRGBXYNR-NSHDSACASA-N 0 0 197.322 2.858 10 0 AFAERN CCCC[C@@H](C(N)=O)C1CCCCC1 114867300 572589627 /nfs/dbraw/zinc/58/96/27/572589627.db2.gz IMNVUUHRGBXYNR-LLVKDONJSA-N 0 0 197.322 2.858 10 0 AFAERN O=C(c1ccco1)[C@@H]1CC[C@@H]2C[C@@H]2C1 403209913 572589850 /nfs/dbraw/zinc/58/98/50/572589850.db2.gz HXAUIWBNQBXIJQ-OPRDCNLKSA-N 0 0 190.242 2.899 10 0 AFAERN CCC[C@H](O)/C=C(\C)CC 307836016 572592291 /nfs/dbraw/zinc/59/22/91/572592291.db2.gz PIFOYUKCOGCSNO-FLOXNTQESA-N 0 0 142.242 2.504 10 0 AFAERN CCc1ccc(OC)c(CC)c1C=O 114916448 572590214 /nfs/dbraw/zinc/59/02/14/572590214.db2.gz LQGQNULQAHANND-UHFFFAOYSA-N 0 0 192.258 2.633 10 0 AFAERN CCC1CCC2(CC1)CC(=O)CCO2 69853133 572590757 /nfs/dbraw/zinc/59/07/57/572590757.db2.gz IXUSRXVKZCSQNG-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN CCC(CC)C(=O)c1cscn1 87589072 572590924 /nfs/dbraw/zinc/59/09/24/572590924.db2.gz GIYGFSJMWFFQMJ-UHFFFAOYSA-N 0 0 183.276 2.762 10 0 AFAERN Cc1ccc2c(ccc3[nH]c(C)nc32)n1 95922542 572590993 /nfs/dbraw/zinc/59/09/93/572590993.db2.gz GJRKXFMQPANLDX-UHFFFAOYSA-N 0 0 197.241 2.728 10 0 AFAERN O[C@@H]1CCOC2(CCCCCCC2)C1 69852511 572591103 /nfs/dbraw/zinc/59/11/03/572591103.db2.gz JFFBLQFPESGBCM-LLVKDONJSA-N 0 0 198.306 2.641 10 0 AFAERN COC(=N)c1ccc(Cl)cc1C 234496081 572591107 /nfs/dbraw/zinc/59/11/07/572591107.db2.gz ZEMAFEBWLAYJGY-UHFFFAOYSA-N 0 0 183.638 2.620 10 0 AFAERN O=C(CCC1CC1)c1cscn1 87588940 572591118 /nfs/dbraw/zinc/59/11/18/572591118.db2.gz OYGDROPFSJNNRK-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN CC[C@H](C)CC(=O)c1cscn1 87588904 572594819 /nfs/dbraw/zinc/59/48/19/572594819.db2.gz YNOVIXGOKVWEPE-ZETCQYMHSA-N 0 0 183.276 2.762 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1cscn1 87589208 572591997 /nfs/dbraw/zinc/59/19/97/572591997.db2.gz KBOWRLWIJWIOKD-IONNQARKSA-N 0 0 185.292 2.613 10 0 AFAERN CC(C)CC[C@@H](O)c1cscn1 87589084 572592242 /nfs/dbraw/zinc/59/22/42/572592242.db2.gz GANWMWSOGDRHLW-SECBINFHSA-N 0 0 185.292 2.613 10 0 AFAERN CC[C@@H](C)CC(=O)c1cscn1 87588903 572592322 /nfs/dbraw/zinc/59/23/22/572592322.db2.gz YNOVIXGOKVWEPE-SSDOTTSWSA-N 0 0 183.276 2.762 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1cscn1 87589207 572593233 /nfs/dbraw/zinc/59/32/33/572593233.db2.gz KBOWRLWIJWIOKD-VXNVDRBHSA-N 0 0 185.292 2.613 10 0 AFAERN CC(C)CC[C@@]1(C)CC(=O)CCO1 69853085 572593356 /nfs/dbraw/zinc/59/33/56/572593356.db2.gz LAMSXYPYEUMQGF-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN O[C@H]1CCOC2(CCCCCCC2)C1 69852512 572593386 /nfs/dbraw/zinc/59/33/86/572593386.db2.gz JFFBLQFPESGBCM-NSHDSACASA-N 0 0 198.306 2.641 10 0 AFAERN CC(C)CC[C@]1(C)CC(=O)CCO1 69853083 572593443 /nfs/dbraw/zinc/59/34/43/572593443.db2.gz LAMSXYPYEUMQGF-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)CC[C@H](O)c1cscn1 87589083 572593473 /nfs/dbraw/zinc/59/34/73/572593473.db2.gz GANWMWSOGDRHLW-VIFPVBQESA-N 0 0 185.292 2.613 10 0 AFAERN CO[C@H](C)[C@@](C)(O)C1=CCCCCC1 234767640 572593645 /nfs/dbraw/zinc/59/36/45/572593645.db2.gz ZVHZTHHLEJGDMB-ZYHUDNBSSA-N 0 0 198.306 2.663 10 0 AFAERN CCCCC[C@@H](O)c1cscn1 87589196 572593655 /nfs/dbraw/zinc/59/36/55/572593655.db2.gz PXOPWNJPGREMON-SECBINFHSA-N 0 0 185.292 2.757 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1cscn1 87589205 572593720 /nfs/dbraw/zinc/59/37/20/572593720.db2.gz KBOWRLWIJWIOKD-APPZFPTMSA-N 0 0 185.292 2.613 10 0 AFAERN Cn1c(-c2ccc[nH]2)nc2ccccc21 95922684 572593722 /nfs/dbraw/zinc/59/37/22/572593722.db2.gz VDGOZWVBFWXRTK-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN CCCCC[C@H](O)c1cscn1 87589195 572593890 /nfs/dbraw/zinc/59/38/90/572593890.db2.gz PXOPWNJPGREMON-VIFPVBQESA-N 0 0 185.292 2.757 10 0 AFAERN O=C1CCOC2(CCCCCCC2)C1 69853018 572594112 /nfs/dbraw/zinc/59/41/12/572594112.db2.gz WFLPDUWUGBNJLZ-UHFFFAOYSA-N 0 0 196.290 2.849 10 0 AFAERN CCCc1ccn([C@@H](C)CC)n1 85020381 572594113 /nfs/dbraw/zinc/59/41/13/572594113.db2.gz OJENXTKDJZKIHN-VIFPVBQESA-N 0 0 166.268 2.807 10 0 AFAERN CCC(CC)[C@@H](O)c1cscn1 87589423 572594151 /nfs/dbraw/zinc/59/41/51/572594151.db2.gz KLXTUHCXTQWTQK-SECBINFHSA-N 0 0 185.292 2.613 10 0 AFAERN Cc1ccc(F)c(-c2cccnc2)n1 47213444 572594394 /nfs/dbraw/zinc/59/43/94/572594394.db2.gz YMKDXFKHUSVOJC-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cnc(F)c(-c2ccncc2)c1 47213471 572594435 /nfs/dbraw/zinc/59/44/35/572594435.db2.gz AIADMMILJCUHJA-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1nc(-c2ccncc2)ccc1F 47213496 572594450 /nfs/dbraw/zinc/59/44/50/572594450.db2.gz ZORBYKUWKHKIMI-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CCN[C@@H](C=C(C)C)c1cscn1 87595161 572594471 /nfs/dbraw/zinc/59/44/71/572594471.db2.gz CPUQFNGOTLTLHY-VIFPVBQESA-N 0 0 196.319 2.760 10 0 AFAERN CCN[C@H](C=C(C)C)c1cscn1 87595163 572594507 /nfs/dbraw/zinc/59/45/07/572594507.db2.gz CPUQFNGOTLTLHY-SECBINFHSA-N 0 0 196.319 2.760 10 0 AFAERN Cc1cc(F)ncc1-c1ccncc1 47213491 572594714 /nfs/dbraw/zinc/59/47/14/572594714.db2.gz XIGAZVJDZWQWSE-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1ccnc(-c2ccccc2)c1N 47207249 572594754 /nfs/dbraw/zinc/59/47/54/572594754.db2.gz RMNVCGUHIPONQM-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCC(CC)[C@H](O)c1cscn1 87589422 572594880 /nfs/dbraw/zinc/59/48/80/572594880.db2.gz KLXTUHCXTQWTQK-VIFPVBQESA-N 0 0 185.292 2.613 10 0 AFAERN Cc1cnc(-c2cccnc2)c(F)c1 47213438 572594978 /nfs/dbraw/zinc/59/49/78/572594978.db2.gz SYNYIZUJYZXUJH-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cccc(OC(F)F)c1F 47203279 572594994 /nfs/dbraw/zinc/59/49/94/572594994.db2.gz DDVOTZUDRGLSSS-UHFFFAOYSA-N 0 0 176.137 2.736 10 0 AFAERN Cc1cc(-c2cccnc2)ncc1F 47213456 572595164 /nfs/dbraw/zinc/59/51/64/572595164.db2.gz ZCWQFRZSDJHNGO-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CCCCn1nc(CC)cc1Cl 85019378 572595228 /nfs/dbraw/zinc/59/52/28/572595228.db2.gz UKWVFGIJSULQJV-UHFFFAOYSA-N 0 0 186.686 2.899 10 0 AFAERN Cc1cnc(-c2ccccc2)c(N)c1 47207251 572595264 /nfs/dbraw/zinc/59/52/64/572595264.db2.gz CIKLTWHUOLLDMK-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCCC(=O)c1cccc(OC)c1F 214165496 572595454 /nfs/dbraw/zinc/59/54/54/572595454.db2.gz ZNVYLPVOEDJJSA-UHFFFAOYSA-N 0 0 196.221 2.817 10 0 AFAERN CC[C@H](C)C[C@H](O)c1cscn1 87589206 572595460 /nfs/dbraw/zinc/59/54/60/572595460.db2.gz KBOWRLWIJWIOKD-CBAPKCEASA-N 0 0 185.292 2.613 10 0 AFAERN Cc1cc(F)cnc1-c1ccncc1 47213453 572595512 /nfs/dbraw/zinc/59/55/12/572595512.db2.gz NLYNXIKRPDQNAL-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CSCC(=O)C(C)(C)C(C)(C)C 308070160 572595747 /nfs/dbraw/zinc/59/57/47/572595747.db2.gz BFUDBNDNXJNTSZ-UHFFFAOYSA-N 0 0 188.336 2.991 10 0 AFAERN CCC(CC)[C@H](O)CCCCF 308070304 572595751 /nfs/dbraw/zinc/59/57/51/572595751.db2.gz BBVGOCAIGPKTIE-SNVBAGLBSA-N 0 0 176.275 2.923 10 0 AFAERN Cc1cc(F)cnc1-c1cccnc1 47213450 572595854 /nfs/dbraw/zinc/59/58/54/572595854.db2.gz SOMFUHJVBAXKER-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CC(C)(C)[C@H](O)CCCCCF 308070004 572595973 /nfs/dbraw/zinc/59/59/73/572595973.db2.gz AYDOBCLIHXJANF-SECBINFHSA-N 0 0 176.275 2.923 10 0 AFAERN CCC[C@@H](CC(C)C)[C@H](NN)C1CC1 308069848 572596124 /nfs/dbraw/zinc/59/61/24/572596124.db2.gz PDLANTNDVVHKRU-NWDGAFQWSA-N 0 0 198.354 2.691 10 0 AFAERN Cc1cc(-c2cccnc2)cc(C)n1 47212786 572596193 /nfs/dbraw/zinc/59/61/93/572596193.db2.gz JBLXKAIWKUFVRX-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CC(C)(C)[C@@H](O)CCCCCF 308070009 572596328 /nfs/dbraw/zinc/59/63/28/572596328.db2.gz AYDOBCLIHXJANF-VIFPVBQESA-N 0 0 176.275 2.923 10 0 AFAERN Cc1nc(F)ccc1-c1cccnc1 47213480 572596465 /nfs/dbraw/zinc/59/64/65/572596465.db2.gz HJHXVFKWUMHNLB-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN O=Cc1scc2c1CCCCC2 74303022 572596521 /nfs/dbraw/zinc/59/65/21/572596521.db2.gz YQGXIJZYIFOUSG-UHFFFAOYSA-N 0 0 180.272 2.830 10 0 AFAERN COc1c(C)cc2c(c1C)N[C@H](C)C2 713727453 572596596 /nfs/dbraw/zinc/59/65/96/572596596.db2.gz GGASMFIPMYYPAU-MRVPVSSYSA-N 0 0 191.274 2.669 10 0 AFAERN Cc1c(Cl)ccc2c(N)c[nH]c12 74302893 572596609 /nfs/dbraw/zinc/59/66/09/572596609.db2.gz YMKRMRNZRPGXMN-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN c1ccc([C@H]2CCN=N2)cc1 114947240 572596624 /nfs/dbraw/zinc/59/66/24/572596624.db2.gz FRNBNAIVUXRCRO-SECBINFHSA-N 0 0 146.193 2.584 10 0 AFAERN Oc1cc(F)cc(-c2ccncc2)c1 47213570 572596648 /nfs/dbraw/zinc/59/66/48/572596648.db2.gz NRHLLEGYPFJXIR-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN CC(C)CCn1ccc(C(F)F)n1 85020429 572596725 /nfs/dbraw/zinc/59/67/25/572596725.db2.gz JAUJTLAXHYOUES-UHFFFAOYSA-N 0 0 188.221 2.867 10 0 AFAERN Cc1ccc(O)c(-c2cccnc2)c1 47216207 572596759 /nfs/dbraw/zinc/59/67/59/572596759.db2.gz NFBFPOVMSQUDIQ-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CCc1ccn(C(CC)CC)n1 85020411 572596768 /nfs/dbraw/zinc/59/67/68/572596768.db2.gz PFHOULRLOBTRTE-UHFFFAOYSA-N 0 0 166.268 2.807 10 0 AFAERN Cc1nc(F)ccc1-c1ccncc1 47213481 572596847 /nfs/dbraw/zinc/59/68/47/572596847.db2.gz PPBZDYWOPQDJOU-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CCCc1ccn([C@H](C)CC)n1 85020383 572596951 /nfs/dbraw/zinc/59/69/51/572596951.db2.gz OJENXTKDJZKIHN-SECBINFHSA-N 0 0 166.268 2.807 10 0 AFAERN Cc1ccc(-c2ccc(C)cc2N)nc1 114999530 572596973 /nfs/dbraw/zinc/59/69/73/572596973.db2.gz RBBSWUIAILWXHY-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCc1cc(Cl)n(CCC)n1 85019217 572597061 /nfs/dbraw/zinc/59/70/61/572597061.db2.gz XAYXQVOJOLJLDB-UHFFFAOYSA-N 0 0 186.686 2.899 10 0 AFAERN C/C(F)=C(\F)c1ccccn1 114984406 572597090 /nfs/dbraw/zinc/59/70/90/572597090.db2.gz ANBPLWBXWMMWJJ-SOFGYWHQSA-N 0 0 155.147 2.709 10 0 AFAERN CCC[C@H](O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403322698 572597118 /nfs/dbraw/zinc/59/71/18/572597118.db2.gz AFZPWANUAGBBNP-WYUUTHIRSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccnc(-c2ccncc2)c1F 47213436 572597155 /nfs/dbraw/zinc/59/71/55/572597155.db2.gz NPCIMYJGWXSJGI-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CCC[C@@H](CC(C)C)[C@@H](NN)C1CC1 308069849 572597276 /nfs/dbraw/zinc/59/72/76/572597276.db2.gz PDLANTNDVVHKRU-RYUDHWBXSA-N 0 0 198.354 2.691 10 0 AFAERN Cc1ccc(O)c(-c2ccncc2)c1 47216209 572597368 /nfs/dbraw/zinc/59/73/68/572597368.db2.gz CCAZVHNGBGLGAT-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccc(-c2cccnc2)c(F)n1 47213474 572597395 /nfs/dbraw/zinc/59/73/95/572597395.db2.gz DQIHABBEUATOLN-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Oc1cc(F)ccc1-c1ccncc1 47213550 572597483 /nfs/dbraw/zinc/59/74/83/572597483.db2.gz MSXWRAZXSVBYDI-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN c1ccc([C@@H]2CCN=N2)cc1 114947242 572597542 /nfs/dbraw/zinc/59/75/42/572597542.db2.gz FRNBNAIVUXRCRO-VIFPVBQESA-N 0 0 146.193 2.584 10 0 AFAERN Oc1ccc(-c2cccnc2)c(F)c1 47213578 572597547 /nfs/dbraw/zinc/59/75/47/572597547.db2.gz JTXIYCMGGZUDDS-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Cc1cc(F)ncc1-c1cccnc1 47213488 572597632 /nfs/dbraw/zinc/59/76/32/572597632.db2.gz QOJDZSXNNPNFRP-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cc(-c2ccncc2)ccc1O 47216213 572597580 /nfs/dbraw/zinc/59/75/80/572597580.db2.gz FQDQEDBLJOCSSQ-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CCC[C@H](CC(C)C)[C@H](NN)C1CC1 308069850 572597606 /nfs/dbraw/zinc/59/76/06/572597606.db2.gz PDLANTNDVVHKRU-VXGBXAGGSA-N 0 0 198.354 2.691 10 0 AFAERN Cc1cnc(F)c(-c2cccnc2)c1 47213468 572597615 /nfs/dbraw/zinc/59/76/15/572597615.db2.gz RGBBTONMNRHSDP-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cc(O)ccc1-c1cccnc1 47216215 572597672 /nfs/dbraw/zinc/59/76/72/572597672.db2.gz VEPCPUOMXQQXBQ-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN Cc1ccc(F)c(-c2ccncc2)n1 47213447 572597714 /nfs/dbraw/zinc/59/77/14/572597714.db2.gz HKVVTGUGMMJXEA-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1cnc(-c2ccncc2)c(F)c1 47213441 572597795 /nfs/dbraw/zinc/59/77/95/572597795.db2.gz SOVSFKXJZYXQPN-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Oc1ccc(-c2ccncc2)c(F)c1 47213580 572597834 /nfs/dbraw/zinc/59/78/34/572597834.db2.gz RZMUYWBNZXFULV-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1ccc(-c2cccnc2)cc1F 47213572 572597977 /nfs/dbraw/zinc/59/79/77/572597977.db2.gz JFRCACXRGJXDSX-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1cccc(-c2ccncc2)c1F 47213561 572597987 /nfs/dbraw/zinc/59/79/87/572597987.db2.gz UODKJDNNQDNECA-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Cc1ccnc(-c2cccnc2)c1F 47213433 572597998 /nfs/dbraw/zinc/59/79/98/572597998.db2.gz DLCXPKIMMZLBIN-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Oc1ccc(-c2ccncc2)cc1F 47213575 572598004 /nfs/dbraw/zinc/59/80/04/572598004.db2.gz SLFVAALEORIGIG-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN CCC[C@H](CC(C)C)[C@@H](NN)C1CC1 308069847 572598017 /nfs/dbraw/zinc/59/80/17/572598017.db2.gz PDLANTNDVVHKRU-NEPJUHHUSA-N 0 0 198.354 2.691 10 0 AFAERN CCCCn1ccc(C(F)F)n1 85020363 572598075 /nfs/dbraw/zinc/59/80/75/572598075.db2.gz KBPYVFGCKYTIIZ-UHFFFAOYSA-N 0 0 174.194 2.621 10 0 AFAERN Cc1cnc(N)c(-c2ccccc2)c1 47207243 572598106 /nfs/dbraw/zinc/59/81/06/572598106.db2.gz GPULQCJRMMVRGB-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN Cc1cc(F)cc(OC(F)F)c1 47203281 572598137 /nfs/dbraw/zinc/59/81/37/572598137.db2.gz RUAJMICPTROKLU-UHFFFAOYSA-N 0 0 176.137 2.736 10 0 AFAERN Cc1cc(-c2ccccc2)ncc1N 47207255 572598148 /nfs/dbraw/zinc/59/81/48/572598148.db2.gz UGEGKUPXRNTODL-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN O=C1CC[C@@H]2C[C@H]3CCCCC[C@]132 196515277 572598544 /nfs/dbraw/zinc/59/85/44/572598544.db2.gz QRXWXVPTHAOWAU-FOGDFJRCSA-N 0 0 178.275 2.936 10 0 AFAERN O=C1CC[C@@H]2C[C@@H]3CCCCC[C@]132 196515291 572598820 /nfs/dbraw/zinc/59/88/20/572598820.db2.gz QRXWXVPTHAOWAU-UMNHJUIQSA-N 0 0 178.275 2.936 10 0 AFAERN C[C@@](O)(c1ccc(F)cc1)C1CCC1 140754550 572604440 /nfs/dbraw/zinc/60/44/40/572604440.db2.gz BFQFMADLJDMRLG-LBPRGKRZSA-N 0 0 194.249 2.833 10 0 AFAERN COc1c(C)cc2c(c1C)N[C@@H](C)C2 713727454 572598944 /nfs/dbraw/zinc/59/89/44/572598944.db2.gz GGASMFIPMYYPAU-QMMMGPOBSA-N 0 0 191.274 2.669 10 0 AFAERN CC(C)/C=C\[C@H](C)[C@H](O)C(C)C 308071406 572599222 /nfs/dbraw/zinc/59/92/22/572599222.db2.gz BORWPNIXSXEMSF-QIAMSNJGSA-N 0 0 170.296 2.852 10 0 AFAERN CCCCc1c(C=O)cccc1OC 114967499 572599633 /nfs/dbraw/zinc/59/96/33/572599633.db2.gz GMYRBZFXAIZEHA-UHFFFAOYSA-N 0 0 192.258 2.850 10 0 AFAERN C[C@H]1CCc2csc(C=O)c2C1 74303025 572599794 /nfs/dbraw/zinc/59/97/94/572599794.db2.gz ABHDUOKODIYUDB-ZETCQYMHSA-N 0 0 180.272 2.685 10 0 AFAERN CC(C)/C=C/[C@H](C)[C@@H](O)C(C)C 308071404 572599847 /nfs/dbraw/zinc/59/98/47/572599847.db2.gz BORWPNIXSXEMSF-JYLGIWJRSA-N 0 0 170.296 2.852 10 0 AFAERN CC(C)c1cccc2c1C(=O)CCO2 714104710 572600418 /nfs/dbraw/zinc/60/04/18/572600418.db2.gz XWTCVEMVPMTIAB-UHFFFAOYSA-N 0 0 190.242 2.775 10 0 AFAERN CC(C)/C=C\[C@H](C)[C@@H](O)C(C)C 308071408 572600450 /nfs/dbraw/zinc/60/04/50/572600450.db2.gz BORWPNIXSXEMSF-TWHAFNCTSA-N 0 0 170.296 2.852 10 0 AFAERN Cn1c(Cl)ccc1C(=O)C(C)(C)C 196502085 572600630 /nfs/dbraw/zinc/60/06/30/572600630.db2.gz IYXLLPSGLVXHFC-UHFFFAOYSA-N 0 0 199.681 2.907 10 0 AFAERN Clc1csc(-c2ccc[nH]2)n1 236068420 572600706 /nfs/dbraw/zinc/60/07/06/572600706.db2.gz OTFCYDSURXFXEB-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN Cc1onc(C2CCCCC2)c1N 74303374 572600915 /nfs/dbraw/zinc/60/09/15/572600915.db2.gz UMWJHPLMXBSMDL-UHFFFAOYSA-N 0 0 180.251 2.613 10 0 AFAERN COc1cc2c(cc1Cl)C[C@H](C)N2 713728707 572601066 /nfs/dbraw/zinc/60/10/66/572601066.db2.gz LWVDWCVBMCUWJP-LURJTMIESA-N 0 0 197.665 2.705 10 0 AFAERN C1CCC(C2SCCS2)C1 115093439 572601260 /nfs/dbraw/zinc/60/12/60/572601260.db2.gz QODNDWAWCSBILK-UHFFFAOYSA-N 0 0 174.334 2.983 10 0 AFAERN COc1cc2c(cc1Cl)C[C@@H](C)N2 713728710 572601488 /nfs/dbraw/zinc/60/14/88/572601488.db2.gz LWVDWCVBMCUWJP-ZCFIWIBFSA-N 0 0 197.665 2.705 10 0 AFAERN Cc1ccc(Cl)cc1/C=C/[N+](=O)[O-] 65010538 572602042 /nfs/dbraw/zinc/60/20/42/572602042.db2.gz AMOGOVSWVDACSW-SNAWJCMRSA-N 0 0 197.621 2.896 10 0 AFAERN CC(C)C/C=C\OC(=O)NC(C)C 308071735 572602436 /nfs/dbraw/zinc/60/24/36/572602436.db2.gz ISVJXJKUEISTKX-ALCCZGGFSA-N 0 0 185.267 2.681 10 0 AFAERN OCCCCCCc1cccc(F)c1 115111138 572602754 /nfs/dbraw/zinc/60/27/54/572602754.db2.gz GJSFVOWCBKFASA-UHFFFAOYSA-N 0 0 196.265 2.921 10 0 AFAERN OCCCCCCc1ccc(F)cc1 115108448 572602806 /nfs/dbraw/zinc/60/28/06/572602806.db2.gz KUUBEWQULDTAIL-UHFFFAOYSA-N 0 0 196.265 2.921 10 0 AFAERN C[C@@H]1CCc2c(csc2C=O)C1 74303027 572602906 /nfs/dbraw/zinc/60/29/06/572602906.db2.gz SGTLNKDACFPPGS-SSDOTTSWSA-N 0 0 180.272 2.685 10 0 AFAERN C[C@H]1CCc2c(csc2C=O)C1 74303029 572603079 /nfs/dbraw/zinc/60/30/79/572603079.db2.gz SGTLNKDACFPPGS-ZETCQYMHSA-N 0 0 180.272 2.685 10 0 AFAERN c1ccc(CCc2cc[nH]c2)cc1 196656837 572603595 /nfs/dbraw/zinc/60/35/95/572603595.db2.gz YMECXFLZGYXWAR-UHFFFAOYSA-N 0 0 171.243 2.800 10 0 AFAERN CCC[C@@H](NN)[C@@H](CC)CC(C)C 308072308 572603720 /nfs/dbraw/zinc/60/37/20/572603720.db2.gz RFQLSWPBDVHCPK-WDEREUQCSA-N 0 0 186.343 2.691 10 0 AFAERN CCc1cc(C=O)oc1CC(C)C 74303541 572603767 /nfs/dbraw/zinc/60/37/67/572603767.db2.gz LQRAQSKJIBEEET-UHFFFAOYSA-N 0 0 180.247 2.853 10 0 AFAERN COC1(CC(=O)CC(C)C)CCC1 234575025 572603812 /nfs/dbraw/zinc/60/38/12/572603812.db2.gz YFKRHOYIQCDDNV-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@](O)(c1ccc(F)cc1)C1CCC1 140754369 572603845 /nfs/dbraw/zinc/60/38/45/572603845.db2.gz BFQFMADLJDMRLG-GFCCVEGCSA-N 0 0 194.249 2.833 10 0 AFAERN CCC[C@H](NN)[C@@H](CC)CC(C)C 308072307 572603920 /nfs/dbraw/zinc/60/39/20/572603920.db2.gz RFQLSWPBDVHCPK-QWRGUYRKSA-N 0 0 186.343 2.691 10 0 AFAERN CCC[C@@H](NN)[C@H](CC)CC(C)C 308072305 572604284 /nfs/dbraw/zinc/60/42/84/572604284.db2.gz RFQLSWPBDVHCPK-GHMZBOCLSA-N 0 0 186.343 2.691 10 0 AFAERN CC(C)c1ccccc1SC(N)=O 140700020 572605245 /nfs/dbraw/zinc/60/52/45/572605245.db2.gz OMRHKWLHQWADBU-UHFFFAOYSA-N 0 0 195.287 2.981 10 0 AFAERN Cc1ccc(Cc2ccc(C)[nH]2)[nH]1 196657404 572605474 /nfs/dbraw/zinc/60/54/74/572605474.db2.gz JBLUYCNPVKDYRS-UHFFFAOYSA-N 0 0 174.247 2.550 10 0 AFAERN CCC[C@H](NN)[C@H](CC)CC(C)C 308072306 572606568 /nfs/dbraw/zinc/60/65/68/572606568.db2.gz RFQLSWPBDVHCPK-MNOVXSKESA-N 0 0 186.343 2.691 10 0 AFAERN CCCCCCC(=O)OC1CC1 197885385 572606669 /nfs/dbraw/zinc/60/66/69/572606669.db2.gz CYKLSBDDABVXSH-UHFFFAOYSA-N 0 0 170.252 2.662 10 0 AFAERN C1=NCc2cc3ccccc3cc2N1 140810721 572606772 /nfs/dbraw/zinc/60/67/72/572606772.db2.gz MONMSXTVEMIXCG-UHFFFAOYSA-N 0 0 182.226 2.794 10 0 AFAERN CC(C)c1ccc(O)c2c1CCC2=O 714107300 572606900 /nfs/dbraw/zinc/60/69/00/572606900.db2.gz NJSALTZJNQOXTA-UHFFFAOYSA-N 0 0 190.242 2.645 10 0 AFAERN Cc1ccc(-c2sccc2N)o1 74304921 572607027 /nfs/dbraw/zinc/60/70/27/572607027.db2.gz PUOKTJJQZVEUHW-UHFFFAOYSA-N 0 0 179.244 2.899 10 0 AFAERN C=Cc1cc(Cl)ccc1NC(C)=O 140767406 572607082 /nfs/dbraw/zinc/60/70/82/572607082.db2.gz ZDKRJOXOBZFZKZ-UHFFFAOYSA-N 0 0 195.649 2.941 10 0 AFAERN COc1cc(Cl)ccc1CCC=O 140811030 572607161 /nfs/dbraw/zinc/60/71/61/572607161.db2.gz XIFOGZCWGWXUGR-QHHAFSJGSA-N 0 0 198.649 2.963 10 0 AFAERN CC(C)C[C@H](O)/C=C/C(C)(C)C 165972425 572607183 /nfs/dbraw/zinc/60/71/83/572607183.db2.gz MDNYLRTZERYILU-VQCYPWCPSA-N 0 0 170.296 2.996 10 0 AFAERN CC[C@H]1C(=O)C[C@H]2C[C@@H]1C2(C)C 140775338 572607305 /nfs/dbraw/zinc/60/73/05/572607305.db2.gz WWMZVZDELNYNOM-HLTSFMKQSA-N 0 0 166.264 2.648 10 0 AFAERN O=C1CCC[C@@H]2c3ccccc3[C@H]12 140832649 572607381 /nfs/dbraw/zinc/60/73/81/572607381.db2.gz DUXIHXYARIVNHM-PWSUYJOCSA-N 0 0 172.227 2.620 10 0 AFAERN CCC(C)(C)OC[C@@H]1CCCC(=O)C1 403730405 572607457 /nfs/dbraw/zinc/60/74/57/572607457.db2.gz OXCYORKYZGTWCO-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](C)Cc1cc(O)cc(O)c1 140713967 572609175 /nfs/dbraw/zinc/60/91/75/572609175.db2.gz JVMATRCDTHTMNY-QMMMGPOBSA-N 0 0 180.247 2.686 10 0 AFAERN CC1=CC(C)(C)[C@@H]([C@@H](C)CO)C1 140820179 572607657 /nfs/dbraw/zinc/60/76/57/572607657.db2.gz ZGWKLRXWJJWFKF-VHSXEESVSA-N 0 0 168.280 2.607 10 0 AFAERN CC(C)C[C@@H](O)/C=C\C(C)(C)C 165973103 572607668 /nfs/dbraw/zinc/60/76/68/572607668.db2.gz MDNYLRTZERYILU-GFVADAIESA-N 0 0 170.296 2.996 10 0 AFAERN O=C1CCC=CCC12CCCC2 196659704 572607778 /nfs/dbraw/zinc/60/77/78/572607778.db2.gz DHTCPOCLWDZNEA-UHFFFAOYSA-N 0 0 164.248 2.856 10 0 AFAERN CC1=CC(C)(C)[C@H]([C@H](C)CO)C1 140820361 572607895 /nfs/dbraw/zinc/60/78/95/572607895.db2.gz ZGWKLRXWJJWFKF-ZJUUUORDSA-N 0 0 168.280 2.607 10 0 AFAERN O=C1CCC[C@H]2c3ccccc3[C@@H]12 140832460 572607910 /nfs/dbraw/zinc/60/79/10/572607910.db2.gz DUXIHXYARIVNHM-CMPLNLGQSA-N 0 0 172.227 2.620 10 0 AFAERN CCCCc1ccnc(F)c1 196659545 572608153 /nfs/dbraw/zinc/60/81/53/572608153.db2.gz LDLZHXILRZTEAA-UHFFFAOYSA-N 0 0 153.200 2.563 10 0 AFAERN O=C1CCC[C@H]2c3ccccc3[C@H]12 140832802 572608223 /nfs/dbraw/zinc/60/82/23/572608223.db2.gz DUXIHXYARIVNHM-JQWIXIFHSA-N 0 0 172.227 2.620 10 0 AFAERN CC(C)[C@@H](C)C(=O)CCCCF 308073700 572608243 /nfs/dbraw/zinc/60/82/43/572608243.db2.gz CKPZXTMIIJWZLR-SECBINFHSA-N 0 0 174.259 2.987 10 0 AFAERN CC[C@@H](C)Cc1cc(O)cc(O)c1 140707508 572608412 /nfs/dbraw/zinc/60/84/12/572608412.db2.gz JVMATRCDTHTMNY-MRVPVSSYSA-N 0 0 180.247 2.686 10 0 AFAERN O=C1CCC[C@@H]2c3ccccc3[C@@H]12 140832279 572608621 /nfs/dbraw/zinc/60/86/21/572608621.db2.gz DUXIHXYARIVNHM-ZYHUDNBSSA-N 0 0 172.227 2.620 10 0 AFAERN C[C@@H]1Cc2cccc(C=O)c2S1 74305848 572608625 /nfs/dbraw/zinc/60/86/25/572608625.db2.gz FBKFYTAOWYIQIR-SSDOTTSWSA-N 0 0 178.256 2.536 10 0 AFAERN COC1=NC(C)=CCCC=C1C 255986158 572608643 /nfs/dbraw/zinc/60/86/43/572608643.db2.gz LSHWEPQBCRLETC-UHFFFAOYSA-N 0 0 165.236 2.675 10 0 AFAERN Cc1ccc(-c2cc(N)c[nH]2)s1 74305834 572608838 /nfs/dbraw/zinc/60/88/38/572608838.db2.gz GDJCKRIXQDPTEO-UHFFFAOYSA-N 0 0 178.260 2.634 10 0 AFAERN CCOC(=O)/C(C)=C(\C)c1ccco1 379485557 572608885 /nfs/dbraw/zinc/60/88/85/572608885.db2.gz ZREZUJPJPWKGOS-CMDGGOBGSA-N 0 0 194.230 2.636 10 0 AFAERN C[C@H]1Cc2c(C=O)cccc2S1 74305852 572610318 /nfs/dbraw/zinc/61/03/18/572610318.db2.gz DKLXWJWBQCXETG-ZETCQYMHSA-N 0 0 178.256 2.536 10 0 AFAERN O=Cc1ccccc1SC1CC1 140853456 572610334 /nfs/dbraw/zinc/61/03/34/572610334.db2.gz QRCKQUBOCOIHTN-UHFFFAOYSA-N 0 0 178.256 2.754 10 0 AFAERN CCCOC(=O)[C@@H](C)CC(C)C 165977102 572609530 /nfs/dbraw/zinc/60/95/30/572609530.db2.gz GNRABPZIROWQJL-VIFPVBQESA-N 0 0 172.268 2.622 10 0 AFAERN CCCC(=O)Cc1csc(C)c1 308073712 572609566 /nfs/dbraw/zinc/60/95/66/572609566.db2.gz CKTPXNDMKKOZFX-UHFFFAOYSA-N 0 0 182.288 2.968 10 0 AFAERN CC1=CC(C)(C)[C@@H]([C@H](C)CO)C1 140820542 572609629 /nfs/dbraw/zinc/60/96/29/572609629.db2.gz ZGWKLRXWJJWFKF-NXEZZACHSA-N 0 0 168.280 2.607 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]2C[C@@H]1C2(C)C 140775528 572609666 /nfs/dbraw/zinc/60/96/66/572609666.db2.gz WWMZVZDELNYNOM-VGMNWLOBSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H]1Cc2cccc(C=O)c2S1 74305849 572609683 /nfs/dbraw/zinc/60/96/83/572609683.db2.gz FBKFYTAOWYIQIR-ZETCQYMHSA-N 0 0 178.256 2.536 10 0 AFAERN CC(C)[C@H](C)C(=O)CCCCF 308073706 572610272 /nfs/dbraw/zinc/61/02/72/572610272.db2.gz CKPZXTMIIJWZLR-VIFPVBQESA-N 0 0 174.259 2.987 10 0 AFAERN C[C@@H]1Cc2c(C=O)cccc2S1 74305851 572610784 /nfs/dbraw/zinc/61/07/84/572610784.db2.gz DKLXWJWBQCXETG-SSDOTTSWSA-N 0 0 178.256 2.536 10 0 AFAERN Cc1ccn2c(C)ccc2c1 140851146 572610918 /nfs/dbraw/zinc/61/09/18/572610918.db2.gz IWAYUHXWJZADCU-UHFFFAOYSA-N 0 0 145.205 2.556 10 0 AFAERN COc1ccc2nccc3cc[nH]c1c32 238357948 572610935 /nfs/dbraw/zinc/61/09/35/572610935.db2.gz ZRRGBZXCOYSFGV-UHFFFAOYSA-N 0 0 198.225 2.725 10 0 AFAERN O=Cc1ccc2c(c1)CCCS2 74305856 572611151 /nfs/dbraw/zinc/61/11/51/572611151.db2.gz AWIZSXDXNGDBBO-UHFFFAOYSA-N 0 0 178.256 2.537 10 0 AFAERN COP(=O)(OC)C(C=O)C(C)C 238358481 572611634 /nfs/dbraw/zinc/61/16/34/572611634.db2.gz QFSDKUPBRQKLAB-FNORWQNLSA-N 0 0 194.167 2.528 10 0 AFAERN COCCn1cc(C(C)C)cc1C 115295450 572615314 /nfs/dbraw/zinc/61/53/14/572615314.db2.gz GOIPHRSZEAYMEC-UHFFFAOYSA-N 0 0 181.279 2.566 10 0 AFAERN Cc1cc(C)n2ccccc12 140851320 572612465 /nfs/dbraw/zinc/61/24/65/572612465.db2.gz LHKOJRQJKYWHSV-UHFFFAOYSA-N 0 0 145.205 2.556 10 0 AFAERN [NH3+][C@H](CC1CCCC1)c1ccoc1 69946342 572612526 /nfs/dbraw/zinc/61/25/26/572612526.db2.gz OQDCAAWONMUBDP-LLVKDONJSA-N 0 0 179.263 2.860 10 0 AFAERN Cc1cc(C=O)c(C2CCCC2)[nH]1 74306995 572612646 /nfs/dbraw/zinc/61/26/46/572612646.db2.gz MJIKFARKIVGNQF-UHFFFAOYSA-N 0 0 177.247 2.793 10 0 AFAERN FCCCCCn1ccc(Cl)n1 308074962 572612704 /nfs/dbraw/zinc/61/27/04/572612704.db2.gz DWOCCRUNUUCKMK-UHFFFAOYSA-N 0 0 190.649 2.676 10 0 AFAERN O=Cc1c[nH]cc1CC1CCCC1 74307121 572613236 /nfs/dbraw/zinc/61/32/36/572613236.db2.gz PONNRKGBWCSCKG-UHFFFAOYSA-N 0 0 177.247 2.560 10 0 AFAERN COc1ccc(C(C)C=O)cc1 238361064 572613791 /nfs/dbraw/zinc/61/37/91/572613791.db2.gz WDOUEXXWERTJNO-BQYQJAHWSA-N 0 0 164.204 2.614 10 0 AFAERN CCCCc1cc(Cl)cnc1N 69943712 572614090 /nfs/dbraw/zinc/61/40/90/572614090.db2.gz IWRHFPIBSLMOQB-UHFFFAOYSA-N 0 0 184.670 2.660 10 0 AFAERN CCCC(=O)C1(COC)CCCC1 115328159 572614111 /nfs/dbraw/zinc/61/41/11/572614111.db2.gz BOUDJFRHWCVQGW-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN COC(C)(C)CC(=O)CC1CCC1 230955087 572614323 /nfs/dbraw/zinc/61/43/23/572614323.db2.gz MJXOZAYKTRRPDC-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN [NH3+][C@@H](CC1CCCC1)c1ccoc1 69946343 572614353 /nfs/dbraw/zinc/61/43/53/572614353.db2.gz OQDCAAWONMUBDP-NSHDSACASA-N 0 0 179.263 2.860 10 0 AFAERN CC(=O)/C=C1\CCc2cc(F)ccc21 379487238 572614474 /nfs/dbraw/zinc/61/44/74/572614474.db2.gz KGAXEOJQCGNURV-RMKNXTFCSA-N 0 0 190.217 2.744 10 0 AFAERN O=Cc1[nH]ccc1C1CCCCC1 74307123 572614483 /nfs/dbraw/zinc/61/44/83/572614483.db2.gz YKQAQVWASUCKKI-UHFFFAOYSA-N 0 0 177.247 2.875 10 0 AFAERN O=Cc1cc(-c2ccc[nH]2)cs1 74307159 572615049 /nfs/dbraw/zinc/61/50/49/572615049.db2.gz PQFVMWGWIMPNQL-UHFFFAOYSA-N 0 0 177.228 2.556 10 0 AFAERN O=Cc1scnc1C1CCCC1 107128520 572614838 /nfs/dbraw/zinc/61/48/38/572614838.db2.gz FHANNMSLBHOIMB-UHFFFAOYSA-N 0 0 181.260 2.613 10 0 AFAERN OCC/C=C/[C@@H]1CCc2ccccc21 140887021 572614864 /nfs/dbraw/zinc/61/48/64/572614864.db2.gz OOEBMSIXFBAKMV-MJRJWQSSSA-N 0 0 188.270 2.655 10 0 AFAERN CC(=O)/C(C)=C\c1ccc(O)c(F)c1 379487635 572614978 /nfs/dbraw/zinc/61/49/78/572614978.db2.gz WXCXNIOHCVDPCW-ALCCZGGFSA-N 0 0 194.205 2.524 10 0 AFAERN CC[C@H](O)C/C=C\c1ccccc1 166205414 572615087 /nfs/dbraw/zinc/61/50/87/572615087.db2.gz DLMBMEIMUGSYAU-PWWFUAJNSA-N 0 0 176.259 2.861 10 0 AFAERN C/C(=C/c1cc(F)ccc1C)[C@@H](C)O 379487937 572615207 /nfs/dbraw/zinc/61/52/07/572615207.db2.gz HKNGFCQGNFDMPM-ABRRARGCSA-N 0 0 194.249 2.918 10 0 AFAERN C/C(=C/c1cc(F)cc(F)c1)[C@H](C)O 379487899 572615407 /nfs/dbraw/zinc/61/54/07/572615407.db2.gz KFLWTDUCMOTYJD-PFPYCLJUSA-N 0 0 198.212 2.749 10 0 AFAERN Cc1ccc(CCCCO)c(C)c1 36156343 572615592 /nfs/dbraw/zinc/61/55/92/572615592.db2.gz UYLLWXHNPGJVSJ-UHFFFAOYSA-N 0 0 178.275 2.618 10 0 AFAERN Cc1ccc([C@H](N)C(F)(F)F)s1 19969930 572617512 /nfs/dbraw/zinc/61/75/12/572617512.db2.gz CGUXDDCOPLSSPK-LURJTMIESA-N 0 0 195.209 2.619 10 0 AFAERN OCC/C=C/[C@H]1CCc2ccccc21 140886837 572616395 /nfs/dbraw/zinc/61/63/95/572616395.db2.gz OOEBMSIXFBAKMV-UXONFWTHSA-N 0 0 188.270 2.655 10 0 AFAERN COC1(CC(=O)CCC(C)C)CCC1 234575352 572616472 /nfs/dbraw/zinc/61/64/72/572616472.db2.gz VNJJISDLMDNPMH-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC[C@@H](C)Nc1nncs1 69966624 572616509 /nfs/dbraw/zinc/61/65/09/572616509.db2.gz OKXAADZGPFYDDG-SSDOTTSWSA-N 0 0 185.296 2.529 10 0 AFAERN O=Cc1coc2c(F)cc(F)cc12 74301279 572617553 /nfs/dbraw/zinc/61/75/53/572617553.db2.gz OLNJSFCUGMUCLB-UHFFFAOYSA-N 0 0 182.125 2.524 10 0 AFAERN C/C=C\CNc1ccc(F)c(C#N)c1 379487237 572616608 /nfs/dbraw/zinc/61/66/08/572616608.db2.gz KFDWAFRGCLJNCY-IHWYPQMZSA-N 0 0 190.221 2.685 10 0 AFAERN CCOc1ccc(OCSC)cc1 115339084 572616613 /nfs/dbraw/zinc/61/66/13/572616613.db2.gz ALNRRXJLALXZBV-UHFFFAOYSA-N 0 0 198.287 2.785 10 0 AFAERN C/C(=C/c1cc(F)ccc1C)[C@H](C)O 379487949 572616624 /nfs/dbraw/zinc/61/66/24/572616624.db2.gz HKNGFCQGNFDMPM-MBACFSSFSA-N 0 0 194.249 2.918 10 0 AFAERN CCc1ccc(C/C(C)=C/CO)cc1 238359913 572617570 /nfs/dbraw/zinc/61/75/70/572617570.db2.gz UVCDZCZOKZKNQJ-DHZHZOJOSA-N 0 0 190.286 2.730 10 0 AFAERN CC(C)CC[S@@](=O)C1CCCC1 308075873 572616871 /nfs/dbraw/zinc/61/68/71/572616871.db2.gz DHQYLWPVBTYTJC-GFCCVEGCSA-N 0 0 188.336 2.724 10 0 AFAERN CC(C)CC[S@](=O)C1CCCC1 308075876 572617220 /nfs/dbraw/zinc/61/72/20/572617220.db2.gz DHQYLWPVBTYTJC-LBPRGKRZSA-N 0 0 188.336 2.724 10 0 AFAERN C/C(=C/c1cc(F)cc(F)c1)[C@@H](C)O 379487894 572617692 /nfs/dbraw/zinc/61/76/92/572617692.db2.gz KFLWTDUCMOTYJD-LSFDQVSLSA-N 0 0 198.212 2.749 10 0 AFAERN CCCCC(=O)C1(COC)CCCC1 115329365 572617778 /nfs/dbraw/zinc/61/77/78/572617778.db2.gz MSENMBNFVUGRKQ-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CCO[C@@](C)(CC)C(=O)[C@@H](C)CC 159317851 572617985 /nfs/dbraw/zinc/61/79/85/572617985.db2.gz AFQNHNVVNIBZAT-ONGXEEELSA-N 0 0 186.295 2.807 10 0 AFAERN Cc1ccc([C@@H](N)C(F)(F)F)s1 19969929 572618398 /nfs/dbraw/zinc/61/83/98/572618398.db2.gz CGUXDDCOPLSSPK-ZCFIWIBFSA-N 0 0 195.209 2.619 10 0 AFAERN O=Cc1cccc([C@H]2CCSC2)c1 214700544 572618667 /nfs/dbraw/zinc/61/86/67/572618667.db2.gz JLKNALHMNROMMI-NSHDSACASA-N 0 0 192.283 2.720 10 0 AFAERN CC[C@H](CC(C)C)[C@H](NN)C1CCC1 308079207 572618984 /nfs/dbraw/zinc/61/89/84/572618984.db2.gz ZUKKHQUMGMCLGP-PWSUYJOCSA-N 0 0 198.354 2.691 10 0 AFAERN O=Cc1ccc([C@@H]2CCSC2)cc1 214700369 572619041 /nfs/dbraw/zinc/61/90/41/572619041.db2.gz MFWSCLUAAHILJM-LLVKDONJSA-N 0 0 192.283 2.720 10 0 AFAERN O[C@@H]1Cc2cocc2-c2ccccc21 196644769 572619224 /nfs/dbraw/zinc/61/92/24/572619224.db2.gz BDXOHHQRSNNMOE-GFCCVEGCSA-N 0 0 186.210 2.536 10 0 AFAERN CC(C)(C)CC(=O)[C@@H]1CCCS1 69985245 572619243 /nfs/dbraw/zinc/61/92/43/572619243.db2.gz OSAOXTILABVZCT-VIFPVBQESA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)c1cccc2c1COCC2=O 714112351 572619265 /nfs/dbraw/zinc/61/92/65/572619265.db2.gz XBVKGZWSIPNFRK-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN O=C(CC1CCCC1)[C@@H]1CCSC1 69983926 572619411 /nfs/dbraw/zinc/61/94/11/572619411.db2.gz CBBSETBAWOUHQG-SNVBAGLBSA-N 0 0 198.331 2.889 10 0 AFAERN O[C@H]1Cc2cocc2-c2ccccc21 196644762 572619413 /nfs/dbraw/zinc/61/94/13/572619413.db2.gz BDXOHHQRSNNMOE-LBPRGKRZSA-N 0 0 186.210 2.536 10 0 AFAERN CC(C)(C)CC(=O)[C@H]1CCCS1 69985246 572619478 /nfs/dbraw/zinc/61/94/78/572619478.db2.gz OSAOXTILABVZCT-SECBINFHSA-N 0 0 186.320 2.887 10 0 AFAERN C/C(=C\[C@H](C)O)Cc1ccccc1 308079975 572620538 /nfs/dbraw/zinc/62/05/38/572620538.db2.gz ZAJWCFLQZQIENH-UQSGXBNBSA-N 0 0 176.259 2.556 10 0 AFAERN c1occ2c1CCCCC2 196650294 572619959 /nfs/dbraw/zinc/61/99/59/572619959.db2.gz ZPQGFFMUPNZVHX-UHFFFAOYSA-N 0 0 136.194 2.549 10 0 AFAERN CCCCNC(=O)Cc1cccs1 308079743 572621498 /nfs/dbraw/zinc/62/14/98/572621498.db2.gz POKGFWNGAHRYNL-NTMALXAHSA-N 0 0 197.303 2.994 10 0 AFAERN CSCCC(=O)c1ccsc1 69984314 572620209 /nfs/dbraw/zinc/62/02/09/572620209.db2.gz PNUXXIRXODUKSW-UHFFFAOYSA-N 0 0 186.301 2.684 10 0 AFAERN O=C1CC[C@H]2C=CCCC[C@@H]2C1 196648687 572620281 /nfs/dbraw/zinc/62/02/81/572620281.db2.gz NQWSXEQNVQYHSJ-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CSCC(=O)C1CCCCCC1 69984566 572620287 /nfs/dbraw/zinc/62/02/87/572620287.db2.gz LAQRBLPISZFPSO-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CC[C@@H](CC(C)C)[C@@H](NN)C1CCC1 308079204 572620424 /nfs/dbraw/zinc/62/04/24/572620424.db2.gz ZUKKHQUMGMCLGP-CMPLNLGQSA-N 0 0 198.354 2.691 10 0 AFAERN C[Si](C)(C)Cc1ccc(C=O)o1 196646445 572620526 /nfs/dbraw/zinc/62/05/26/572620526.db2.gz LTIUMWVZNXRAIT-UHFFFAOYSA-N 0 0 182.295 2.512 10 0 AFAERN CCCCC(=O)[C@@H]1CCCS1 69985160 572621422 /nfs/dbraw/zinc/62/14/22/572621422.db2.gz RQXUPBQDXRNFIN-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN C/C(=C\[C@@H](C)O)Cc1ccccc1 308079974 572620777 /nfs/dbraw/zinc/62/07/77/572620777.db2.gz ZAJWCFLQZQIENH-RJCSOLBVSA-N 0 0 176.259 2.556 10 0 AFAERN O=C1CCC[C@@H]2CCC[C@@H]2C1 196644186 572620814 /nfs/dbraw/zinc/62/08/14/572620814.db2.gz CIBOZUQNKDAICI-DTWKUNHWSA-N 0 0 152.237 2.546 10 0 AFAERN O=C1CCC[C@H]2CCC[C@@H]2C1 196644176 572620876 /nfs/dbraw/zinc/62/08/76/572620876.db2.gz CIBOZUQNKDAICI-RKDXNWHRSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cc2c([nH]1)-c1ccccc1C2 196650889 572620941 /nfs/dbraw/zinc/62/09/41/572620941.db2.gz BJDSCVCIRAKFAM-UHFFFAOYSA-N 0 0 169.227 2.894 10 0 AFAERN CC[C@H](CC(C)C)[C@@H](NN)C1CCC1 308079209 572620991 /nfs/dbraw/zinc/62/09/91/572620991.db2.gz ZUKKHQUMGMCLGP-ZYHUDNBSSA-N 0 0 198.354 2.691 10 0 AFAERN COc1cccc2cc(C)c(O)cc12 196646912 572621750 /nfs/dbraw/zinc/62/17/50/572621750.db2.gz GIYHHCQQGPCDPD-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN O=C(CC1CCCC1)[C@H]1CCSC1 69983929 572621073 /nfs/dbraw/zinc/62/10/73/572621073.db2.gz CBBSETBAWOUHQG-JTQLQIEISA-N 0 0 198.331 2.889 10 0 AFAERN CCC(C)(C)C(=O)[C@@H]1CCCS1 69984703 572621378 /nfs/dbraw/zinc/62/13/78/572621378.db2.gz ATSZKPDRLVAZAR-QMMMGPOBSA-N 0 0 186.320 2.887 10 0 AFAERN CCCCC(=O)[C@H]1CCCS1 69985162 572621385 /nfs/dbraw/zinc/62/13/85/572621385.db2.gz RQXUPBQDXRNFIN-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN CC[C@@H](CC(C)C)[C@H](NN)C1CCC1 308079205 572621503 /nfs/dbraw/zinc/62/15/03/572621503.db2.gz ZUKKHQUMGMCLGP-JQWIXIFHSA-N 0 0 198.354 2.691 10 0 AFAERN O=Cc1ccc([C@H]2CCSC2)cc1 214700423 572621526 /nfs/dbraw/zinc/62/15/26/572621526.db2.gz MFWSCLUAAHILJM-NSHDSACASA-N 0 0 192.283 2.720 10 0 AFAERN CC(C)=CCc1cc(C=O)ccc1N 196651584 572621538 /nfs/dbraw/zinc/62/15/38/572621538.db2.gz BSVJZEQTEBUIJT-UHFFFAOYSA-N 0 0 189.258 2.590 10 0 AFAERN O=C1CC[C@@H]2C=CCCC[C@H]2C1 196648682 572621684 /nfs/dbraw/zinc/62/16/84/572621684.db2.gz NQWSXEQNVQYHSJ-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN O=C1CCC[C@H]2CCC[C@H]2C1 196644165 572621690 /nfs/dbraw/zinc/62/16/90/572621690.db2.gz CIBOZUQNKDAICI-BDAKNGLRSA-N 0 0 152.237 2.546 10 0 AFAERN COC[C@](C)(O)C1=CCCCCCC1 234770127 572621871 /nfs/dbraw/zinc/62/18/71/572621871.db2.gz XIKNDJGBTJTNLU-LBPRGKRZSA-N 0 0 198.306 2.664 10 0 AFAERN O=Cc1cccc([C@@H]2CCSC2)c1 214700494 572621900 /nfs/dbraw/zinc/62/19/00/572621900.db2.gz JLKNALHMNROMMI-LLVKDONJSA-N 0 0 192.283 2.720 10 0 AFAERN O=C1CC[C@H]2C=CCCC[C@H]2C1 196648673 572622178 /nfs/dbraw/zinc/62/21/78/572622178.db2.gz NQWSXEQNVQYHSJ-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CCC(C)(C)C(=O)[C@H]1CCCS1 69984704 572622472 /nfs/dbraw/zinc/62/24/72/572622472.db2.gz ATSZKPDRLVAZAR-MRVPVSSYSA-N 0 0 186.320 2.887 10 0 AFAERN C=Cc1ccc(O)c2c1C(=O)CCC2 714113201 572622510 /nfs/dbraw/zinc/62/25/10/572622510.db2.gz UJVONFNTZGVAOR-UHFFFAOYSA-N 0 0 188.226 2.554 10 0 AFAERN CN(c1ccc(C=O)cc1)C(C)(C)C 307543502 572622618 /nfs/dbraw/zinc/62/26/18/572622618.db2.gz AFLOZMQSERVBBG-UHFFFAOYSA-N 0 0 191.274 2.734 10 0 AFAERN CC(C)(CO)CCc1ccsc1 85036056 572622879 /nfs/dbraw/zinc/62/28/79/572622879.db2.gz OONBXTJXDYLGRI-UHFFFAOYSA-N 0 0 184.304 2.699 10 0 AFAERN Cc1cc2c(C)c(C=O)ccc2[nH]1 74309665 572623001 /nfs/dbraw/zinc/62/30/01/572623001.db2.gz LMFAOHXAEHPJCZ-UHFFFAOYSA-N 0 0 173.215 2.597 10 0 AFAERN CC(C)(CO)CCc1cccs1 85035836 572623003 /nfs/dbraw/zinc/62/30/03/572623003.db2.gz HPXPTBOEHBWDED-UHFFFAOYSA-N 0 0 184.304 2.699 10 0 AFAERN Cc1ccc(-c2cc(N)c[nH]2)cc1 74310068 572623086 /nfs/dbraw/zinc/62/30/86/572623086.db2.gz IPVJYCVRBBLYQJ-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CCCCCCC1(CO)CC1 85037264 572623142 /nfs/dbraw/zinc/62/31/42/572623142.db2.gz UVGJUJLSCNMFJW-UHFFFAOYSA-N 0 0 156.269 2.729 10 0 AFAERN CCCC[C@@](C)(CO)CCC 85037917 572623311 /nfs/dbraw/zinc/62/33/11/572623311.db2.gz PTRIKEJBXZRORZ-JTQLQIEISA-N 0 0 158.285 2.975 10 0 AFAERN Cc1ccc(-c2[nH]ccc2N)cc1 74310065 572623332 /nfs/dbraw/zinc/62/33/32/572623332.db2.gz WSBJGISZCMSKLD-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CCC[C@](C)(CO)CC(C)C 85037912 572623392 /nfs/dbraw/zinc/62/33/92/572623392.db2.gz QAKOGWJRZSGDAA-JTQLQIEISA-N 0 0 158.285 2.831 10 0 AFAERN Cc1ccccc1-c1cc(N)c[nH]1 74310067 572623571 /nfs/dbraw/zinc/62/35/71/572623571.db2.gz YKXDQGGQOPDLSQ-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CCC[C@@](C)(CO)CC(C)C 85037914 572623575 /nfs/dbraw/zinc/62/35/75/572623575.db2.gz QAKOGWJRZSGDAA-SNVBAGLBSA-N 0 0 158.285 2.831 10 0 AFAERN CC[C@H](F)CSC[C@H](C)OC 307850255 572623649 /nfs/dbraw/zinc/62/36/49/572623649.db2.gz ANJZXTUJOILRSS-YUMQZZPRSA-N 0 0 180.288 2.503 10 0 AFAERN CC[C@@H](F)CSC[C@H](C)OC 307850253 572623689 /nfs/dbraw/zinc/62/36/89/572623689.db2.gz ANJZXTUJOILRSS-JGVFFNPUSA-N 0 0 180.288 2.503 10 0 AFAERN CCC[C@@H](CC(C)C)c1nnc(N)o1 308077785 572623753 /nfs/dbraw/zinc/62/37/53/572623753.db2.gz NZJZXLUWGQKCAT-QMMMGPOBSA-N 0 0 197.282 2.582 10 0 AFAERN C/C(=C/Cl)CS[C@@H]1CCOC1 307850205 572623947 /nfs/dbraw/zinc/62/39/47/572623947.db2.gz AGVBCZQYBSMGDL-RBMBQVQZSA-N 0 0 192.711 2.651 10 0 AFAERN CC(C)C[C@H](CO)Cc1ccccc1 85038704 572627373 /nfs/dbraw/zinc/62/73/73/572627373.db2.gz MBHMDDAPBVALMF-ZDUSSCGKSA-N 0 0 192.302 2.884 10 0 AFAERN Nc1cccc2cc(C3CC3)[nH]c12 74310061 572624176 /nfs/dbraw/zinc/62/41/76/572624176.db2.gz LHPUBHDNGZDWHV-UHFFFAOYSA-N 0 0 172.231 2.628 10 0 AFAERN C/C(=C/Cl)CS[C@H]1CCOC1 307850204 572624184 /nfs/dbraw/zinc/62/41/84/572624184.db2.gz AGVBCZQYBSMGDL-NZGHECTNSA-N 0 0 192.711 2.651 10 0 AFAERN Cc1ccccc1-c1[nH]ccc1N 74310063 572624209 /nfs/dbraw/zinc/62/42/09/572624209.db2.gz ZAPNOLKQVNZUEN-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CCC[C@](C)(CO)Cc1ccco1 85037946 572624224 /nfs/dbraw/zinc/62/42/24/572624224.db2.gz GZXRQWJWRSHFAU-NSHDSACASA-N 0 0 182.263 2.621 10 0 AFAERN CCc1ccc2[nH]ccc2c1C=O 74309671 572624262 /nfs/dbraw/zinc/62/42/62/572624262.db2.gz ZDYNIXWJGRJKAZ-UHFFFAOYSA-N 0 0 173.215 2.543 10 0 AFAERN CCC[C@H](C)CC1(CO)CCC1 85037210 572624311 /nfs/dbraw/zinc/62/43/11/572624311.db2.gz GPHGGZINBJEPCR-JTQLQIEISA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@H](F)CSC[C@@H](C)OC 307850254 572624357 /nfs/dbraw/zinc/62/43/57/572624357.db2.gz ANJZXTUJOILRSS-SFYZADRCSA-N 0 0 180.288 2.503 10 0 AFAERN CCC[C@H](C)CC1(CO)CC1 85037534 572624369 /nfs/dbraw/zinc/62/43/69/572624369.db2.gz QOIMTJGEWIWITE-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN CC(C)CCC1(CO)CCCC1 85037738 572624551 /nfs/dbraw/zinc/62/45/51/572624551.db2.gz KJSLKQYMPLIPIS-UHFFFAOYSA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@@H](F)CSC[C@@H](C)OC 307850252 572624609 /nfs/dbraw/zinc/62/46/09/572624609.db2.gz ANJZXTUJOILRSS-HTQZYQBOSA-N 0 0 180.288 2.503 10 0 AFAERN OCC1(CCc2cccs2)CCC1 85036943 572624717 /nfs/dbraw/zinc/62/47/17/572624717.db2.gz BROIQBILCOYKQA-UHFFFAOYSA-N 0 0 196.315 2.843 10 0 AFAERN CCc1ccc(CC2(CO)CC2)cc1 85037449 572624753 /nfs/dbraw/zinc/62/47/53/572624753.db2.gz GVZDPPHYCSPGJE-UHFFFAOYSA-N 0 0 190.286 2.564 10 0 AFAERN Cc1ccc(N[C@@H]2CCCOC2)cc1 70011604 572624774 /nfs/dbraw/zinc/62/47/74/572624774.db2.gz PAWMMLCPCJTJMT-GFCCVEGCSA-N 0 0 191.274 2.586 10 0 AFAERN CCC[C@@H](C)CC1(CO)CC1 85037532 572624911 /nfs/dbraw/zinc/62/49/11/572624911.db2.gz QOIMTJGEWIWITE-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN CCC[C@H](CC(C)C)c1nnc(N)o1 308077784 572625173 /nfs/dbraw/zinc/62/51/73/572625173.db2.gz NZJZXLUWGQKCAT-MRVPVSSYSA-N 0 0 197.282 2.582 10 0 AFAERN CC(C)(C)CCC1(CO)CCC1 85037038 572625258 /nfs/dbraw/zinc/62/52/58/572625258.db2.gz XWMNABXRIBPQAY-UHFFFAOYSA-N 0 0 170.296 2.975 10 0 AFAERN Cc1cc2[nH]ccc2c(C=O)c1C 74309666 572625429 /nfs/dbraw/zinc/62/54/29/572625429.db2.gz AUICKGABCDDYAU-UHFFFAOYSA-N 0 0 173.215 2.597 10 0 AFAERN CCC[C@@](C)(CO)Cc1ccco1 85037947 572625645 /nfs/dbraw/zinc/62/56/45/572625645.db2.gz GZXRQWJWRSHFAU-LLVKDONJSA-N 0 0 182.263 2.621 10 0 AFAERN CC(=O)c1csc(CCC(C)C)n1 70848247 572625687 /nfs/dbraw/zinc/62/56/87/572625687.db2.gz NDQBHYMNRXPVJE-UHFFFAOYSA-N 0 0 197.303 2.934 10 0 AFAERN CCc1ccc(CC(C)(C)CO)s1 85035982 572625701 /nfs/dbraw/zinc/62/57/01/572625701.db2.gz NOQROXXFUMEVEG-UHFFFAOYSA-N 0 0 198.331 2.872 10 0 AFAERN C[C@@]1(c2ccc(O)cc2)CC1(F)F 196840413 572625915 /nfs/dbraw/zinc/62/59/15/572625915.db2.gz ZOJJWBKQFMDGNQ-VIFPVBQESA-N 0 0 184.185 2.689 10 0 AFAERN OCC1(CCc2ccsc2)CCC1 85037231 572625925 /nfs/dbraw/zinc/62/59/25/572625925.db2.gz SZMWAYXEXJIDIF-UHFFFAOYSA-N 0 0 196.315 2.843 10 0 AFAERN O=C1CCC2(CCC2)C12CCC2 196844443 572625939 /nfs/dbraw/zinc/62/59/39/572625939.db2.gz YMHSSZIDZVTXQA-UHFFFAOYSA-N 0 0 164.248 2.690 10 0 AFAERN CC1([C@@H]2CC=C(CO)CC2)CC1 196855017 572625953 /nfs/dbraw/zinc/62/59/53/572625953.db2.gz OXXJRSDETRUQMP-SNVBAGLBSA-N 0 0 166.264 2.505 10 0 AFAERN Cc1ccc(N[C@H]2CCCOC2)cc1 70011608 572625958 /nfs/dbraw/zinc/62/59/58/572625958.db2.gz PAWMMLCPCJTJMT-LBPRGKRZSA-N 0 0 191.274 2.586 10 0 AFAERN CSc1c(C)c(O)c(C)c(C)c1O 196842553 572626050 /nfs/dbraw/zinc/62/60/50/572626050.db2.gz GGSXLODPAXFIMA-UHFFFAOYSA-N 0 0 198.287 2.745 10 0 AFAERN CC[C@H](C)CC1(CO)CCCC1 85037755 572626066 /nfs/dbraw/zinc/62/60/66/572626066.db2.gz DYMRRSGPKWIMAU-JTQLQIEISA-N 0 0 170.296 2.975 10 0 AFAERN CCC[C@@H](C)CC1(CO)CCC1 85037208 572626091 /nfs/dbraw/zinc/62/60/91/572626091.db2.gz GPHGGZINBJEPCR-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@@H](C)CC1(CO)CCCC1 85037753 572626135 /nfs/dbraw/zinc/62/61/35/572626135.db2.gz DYMRRSGPKWIMAU-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN CCc1ccc(CC2(CO)CC2)s1 85037474 572626163 /nfs/dbraw/zinc/62/61/63/572626163.db2.gz YWJAMOSXEXBTGN-UHFFFAOYSA-N 0 0 196.315 2.626 10 0 AFAERN OCC1(CCCc2ccccc2)CC1 85037531 572626169 /nfs/dbraw/zinc/62/61/69/572626169.db2.gz CVRBGCMBTGZTBN-UHFFFAOYSA-N 0 0 190.286 2.782 10 0 AFAERN CC[C@](C)(CO)Cc1ccccc1F 85039607 572627456 /nfs/dbraw/zinc/62/74/56/572627456.db2.gz CPGAGFFOPKZZDK-LBPRGKRZSA-N 0 0 196.265 2.777 10 0 AFAERN CC1([C@H]2CC=C(CO)CC2)CC1 196855006 572626266 /nfs/dbraw/zinc/62/62/66/572626266.db2.gz OXXJRSDETRUQMP-JTQLQIEISA-N 0 0 166.264 2.505 10 0 AFAERN CC(C)C[C@@H](CO)Cc1ccsc1 85040102 572626676 /nfs/dbraw/zinc/62/66/76/572626676.db2.gz SDUGEKVTVDCHLG-LLVKDONJSA-N 0 0 198.331 2.945 10 0 AFAERN CCC[C@@H](CO)Cc1ccc(F)cc1 85040249 572626697 /nfs/dbraw/zinc/62/66/97/572626697.db2.gz WECNFNYVLCHQEE-LLVKDONJSA-N 0 0 196.265 2.777 10 0 AFAERN CCC(CC)(CO)CC(C)C 85038476 572626766 /nfs/dbraw/zinc/62/67/66/572626766.db2.gz IRCPNHBMYQLQCC-UHFFFAOYSA-N 0 0 158.285 2.831 10 0 AFAERN C[C@]1(c2ccc(O)cc2)CC1(F)F 196840400 572626801 /nfs/dbraw/zinc/62/68/01/572626801.db2.gz ZOJJWBKQFMDGNQ-SECBINFHSA-N 0 0 184.185 2.689 10 0 AFAERN CCCOc1cccc(C=O)c1Cl 115793745 572626870 /nfs/dbraw/zinc/62/68/70/572626870.db2.gz BAVSGSAMRVAFGE-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CCOCCCC(CC)(CC)CO 85038618 572626899 /nfs/dbraw/zinc/62/68/99/572626899.db2.gz WHUGTCIGOXMRSD-UHFFFAOYSA-N 0 0 188.311 2.602 10 0 AFAERN CCC[C@H](CO)Cc1cccc(F)c1 85040181 572627059 /nfs/dbraw/zinc/62/70/59/572627059.db2.gz SMUQOZXTIWCZNA-NSHDSACASA-N 0 0 196.265 2.777 10 0 AFAERN CC(C)C[C@@H](CO)Cc1cccs1 85040000 572627186 /nfs/dbraw/zinc/62/71/86/572627186.db2.gz MOLJKXBDWQGSKT-SNVBAGLBSA-N 0 0 198.331 2.945 10 0 AFAERN CC1([C@@H]2CC[C@]3(CO)C[C@@H]3C2)CC1 196855073 572627332 /nfs/dbraw/zinc/62/73/32/572627332.db2.gz UCZDSMRQDCZZDI-JFGNBEQYSA-N 0 0 180.291 2.585 10 0 AFAERN CC[C@H](CC(C)C)[C@H](C=C(C)C)NN 308078658 572627272 /nfs/dbraw/zinc/62/72/72/572627272.db2.gz ZBOPHWIKHZZGRK-NEPJUHHUSA-N 0 0 198.354 2.857 10 0 AFAERN F/C(=C/Cl)C(F)(F)Cl 115590563 572627277 /nfs/dbraw/zinc/62/72/77/572627277.db2.gz BGVYPLBZJNTJEH-OWOJBTEDSA-N 0 0 164.941 2.868 10 0 AFAERN CC[C@@](C)(CO)Cc1ccccc1C 85039297 572627295 /nfs/dbraw/zinc/62/72/95/572627295.db2.gz VAHYLPDGKGXZAQ-CYBMUJFWSA-N 0 0 192.302 2.946 10 0 AFAERN C[C@@H](O)c1ccccc1-c1ccco1 196846700 572627500 /nfs/dbraw/zinc/62/75/00/572627500.db2.gz NTIIDVQCQWJRNA-SECBINFHSA-N 0 0 188.226 3.000 10 0 AFAERN CCCCOCC[C@](C)(CC)CO 85039670 572627514 /nfs/dbraw/zinc/62/75/14/572627514.db2.gz LTJYKPGMTZPFCJ-NSHDSACASA-N 0 0 188.311 2.602 10 0 AFAERN CC[C@](C)(CO)Cc1ccsc1 85039709 572627533 /nfs/dbraw/zinc/62/75/33/572627533.db2.gz NRZLLATXCLEQLD-JTQLQIEISA-N 0 0 184.304 2.699 10 0 AFAERN CCC[C@H](CO)Cc1ccc(C)cc1 85040260 572627598 /nfs/dbraw/zinc/62/75/98/572627598.db2.gz QTSCBTPVYSURKN-ZDUSSCGKSA-N 0 0 192.302 2.946 10 0 AFAERN CC[C@@](C)(CO)Cc1cccc(F)c1 85039318 572627835 /nfs/dbraw/zinc/62/78/35/572627835.db2.gz JAFHWTBSOVRBJU-GFCCVEGCSA-N 0 0 196.265 2.777 10 0 AFAERN CCC[C@](C)(CO)CCCOCC 85038211 572627885 /nfs/dbraw/zinc/62/78/85/572627885.db2.gz RLWZOCSSWHRNEL-NSHDSACASA-N 0 0 188.311 2.602 10 0 AFAERN C[C@H](O)c1ccccc1-c1ccco1 196846686 572627926 /nfs/dbraw/zinc/62/79/26/572627926.db2.gz NTIIDVQCQWJRNA-VIFPVBQESA-N 0 0 188.226 3.000 10 0 AFAERN CC[C@](C)(CO)Cc1ccccc1 85039507 572627993 /nfs/dbraw/zinc/62/79/93/572627993.db2.gz AWCHNNHWHLPCTB-LBPRGKRZSA-N 0 0 178.275 2.638 10 0 AFAERN O=C1CCC2C[C@@H]3CC1C[C@H](C2)C3 196848433 572628003 /nfs/dbraw/zinc/62/80/03/572628003.db2.gz QAWVCYVFSIJLHK-GGWWSXTCSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)C[C@@H](CO)Cc1ccccc1 85038706 572628025 /nfs/dbraw/zinc/62/80/25/572628025.db2.gz MBHMDDAPBVALMF-CYBMUJFWSA-N 0 0 192.302 2.884 10 0 AFAERN CCCC[C@@](CC)(CO)CCOC 85038323 572628043 /nfs/dbraw/zinc/62/80/43/572628043.db2.gz XNBPTOYQGPPVKS-LLVKDONJSA-N 0 0 188.311 2.602 10 0 AFAERN CC(C)C[C@H](CO)Cc1ccsc1 85040100 572628162 /nfs/dbraw/zinc/62/81/62/572628162.db2.gz SDUGEKVTVDCHLG-NSHDSACASA-N 0 0 198.331 2.945 10 0 AFAERN CC[C@@](C)(CO)CC1CCCC1 85039442 572628188 /nfs/dbraw/zinc/62/81/88/572628188.db2.gz ZNMIOBWTJKXJPI-LLVKDONJSA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@@](C)(CO)Cc1ccsc1 85039711 572628230 /nfs/dbraw/zinc/62/82/30/572628230.db2.gz NRZLLATXCLEQLD-SNVBAGLBSA-N 0 0 184.304 2.699 10 0 AFAERN CC[C@@](C)(CO)Cc1ccccc1F 85039608 572628212 /nfs/dbraw/zinc/62/82/12/572628212.db2.gz CPGAGFFOPKZZDK-GFCCVEGCSA-N 0 0 196.265 2.777 10 0 AFAERN CCC[C@H](CO)Cc1ccc(F)cc1 85040246 572628244 /nfs/dbraw/zinc/62/82/44/572628244.db2.gz WECNFNYVLCHQEE-NSHDSACASA-N 0 0 196.265 2.777 10 0 AFAERN CC[C@@H](CC(C)C)[C@@H](C=C(C)C)NN 308078660 572628299 /nfs/dbraw/zinc/62/82/99/572628299.db2.gz ZBOPHWIKHZZGRK-NWDGAFQWSA-N 0 0 198.354 2.857 10 0 AFAERN C[C@@H](O)[C@@H]1C=CCCCCC1 115612809 572628725 /nfs/dbraw/zinc/62/87/25/572628725.db2.gz RXBJHFYLPINYBI-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@](C)(CO)Cc1cccs1 85039579 572628477 /nfs/dbraw/zinc/62/84/77/572628477.db2.gz OOXJCSJSTYWCOJ-JTQLQIEISA-N 0 0 184.304 2.699 10 0 AFAERN CCC(CC)(CO)CCOC(C)C 85038629 572628484 /nfs/dbraw/zinc/62/84/84/572628484.db2.gz LMNJUZZWCIKLPD-UHFFFAOYSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@](C)(CO)Cc1ccc(F)cc1 85039386 572628591 /nfs/dbraw/zinc/62/85/91/572628591.db2.gz ZMDTZMOZSKXKQC-LBPRGKRZSA-N 0 0 196.265 2.777 10 0 AFAERN C[C@@H](CCO)CCCC(C)(C)N=O 238366963 572631628 /nfs/dbraw/zinc/63/16/28/572631628.db2.gz KHRBJZMTADJIDO-SECBINFHSA-N 0 0 187.283 2.720 10 0 AFAERN CC[C@@](C)(CO)Cc1ccc(F)cc1 85039390 572628603 /nfs/dbraw/zinc/62/86/03/572628603.db2.gz ZMDTZMOZSKXKQC-GFCCVEGCSA-N 0 0 196.265 2.777 10 0 AFAERN CCCC[C@H](CO)CC(C)C 85039759 572628693 /nfs/dbraw/zinc/62/86/93/572628693.db2.gz OPPKPGIUKZWFRG-JTQLQIEISA-N 0 0 158.285 2.831 10 0 AFAERN CCC[C@H](CO)Cc1cccc(C)c1 85040285 572628711 /nfs/dbraw/zinc/62/87/11/572628711.db2.gz VJMSLSSMARUZAJ-ZDUSSCGKSA-N 0 0 192.302 2.946 10 0 AFAERN CCC[C@@H](CO)Cc1cccc(C)c1 85040286 572628763 /nfs/dbraw/zinc/62/87/63/572628763.db2.gz VJMSLSSMARUZAJ-CYBMUJFWSA-N 0 0 192.302 2.946 10 0 AFAERN C[C@H](O)[C@@H]1C=CCCCCC1 115612810 572628769 /nfs/dbraw/zinc/62/87/69/572628769.db2.gz RXBJHFYLPINYBI-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN O=CC1=C(O)CCC2(CCCC2)C1 379497785 572628854 /nfs/dbraw/zinc/62/88/54/572628854.db2.gz CKWRJBLQMXMKCT-CMDGGOBGSA-N 0 0 180.247 2.742 10 0 AFAERN CC(C)C[C@H](CO)Cc1cccs1 85039998 572629046 /nfs/dbraw/zinc/62/90/46/572629046.db2.gz MOLJKXBDWQGSKT-JTQLQIEISA-N 0 0 198.331 2.945 10 0 AFAERN CCC[C@](C)(CO)CCOC(C)C 85038237 572629048 /nfs/dbraw/zinc/62/90/48/572629048.db2.gz RXPLEFZAOZKEQU-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CCC[C@@H](CO)Cc1cccc(F)c1 85040183 572628909 /nfs/dbraw/zinc/62/89/09/572628909.db2.gz SMUQOZXTIWCZNA-LLVKDONJSA-N 0 0 196.265 2.777 10 0 AFAERN C/C=C(\Br)C(F)(F)F 115589629 572628955 /nfs/dbraw/zinc/62/89/55/572628955.db2.gz UBVPDGAKNZNBQX-IHWYPQMZSA-N 0 0 188.974 2.847 10 0 AFAERN CCC[C@H](CO)Cc1ccccc1C 85040162 572628963 /nfs/dbraw/zinc/62/89/63/572628963.db2.gz AEFRIHPEVBMQQD-LBPRGKRZSA-N 0 0 192.302 2.946 10 0 AFAERN CCC[C@@H](CO)Cc1ccc(C)cc1 85040262 572628969 /nfs/dbraw/zinc/62/89/69/572628969.db2.gz QTSCBTPVYSURKN-CYBMUJFWSA-N 0 0 192.302 2.946 10 0 AFAERN CCC[C@@H](CO)CC1CCCC1 85040291 572628973 /nfs/dbraw/zinc/62/89/73/572628973.db2.gz RJUGYCIBZAHNHY-LLVKDONJSA-N 0 0 170.296 2.975 10 0 AFAERN CCC(CC)(CO)Cc1ccco1 85038489 572628994 /nfs/dbraw/zinc/62/89/94/572628994.db2.gz BKYCOSXNOCHPNB-UHFFFAOYSA-N 0 0 182.263 2.621 10 0 AFAERN C[C@H](O)[C@H]1C=CCCCCC1 115612807 572629027 /nfs/dbraw/zinc/62/90/27/572629027.db2.gz RXBJHFYLPINYBI-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cccc(C)c1[C@@]1(O)C[C@H]1C 235278169 572629085 /nfs/dbraw/zinc/62/90/85/572629085.db2.gz DJCFIFJBELCKRZ-ZYHUDNBSSA-N 0 0 176.259 2.531 10 0 AFAERN CC[C@@](C)(CO)Cc1ccc(C)cc1 85039414 572629086 /nfs/dbraw/zinc/62/90/86/572629086.db2.gz LSNCRSUPPVOQSI-CYBMUJFWSA-N 0 0 192.302 2.946 10 0 AFAERN CCCC[C@](CC)(CO)CCOC 85038321 572629124 /nfs/dbraw/zinc/62/91/24/572629124.db2.gz XNBPTOYQGPPVKS-NSHDSACASA-N 0 0 188.311 2.602 10 0 AFAERN C/C(=C/c1cccc(F)c1F)[C@@H](C)O 379497097 572629148 /nfs/dbraw/zinc/62/91/48/572629148.db2.gz BLMXADIOPYFZBZ-NFXKFNAJSA-N 0 0 198.212 2.749 10 0 AFAERN CCCC[C@@H](CO)CC(C)C 85039761 572629157 /nfs/dbraw/zinc/62/91/57/572629157.db2.gz OPPKPGIUKZWFRG-SNVBAGLBSA-N 0 0 158.285 2.831 10 0 AFAERN COc1cccc(C(C)C=O)c1 238365039 572629165 /nfs/dbraw/zinc/62/91/65/572629165.db2.gz LJTAGZAZWCGEEZ-BQYQJAHWSA-N 0 0 164.204 2.614 10 0 AFAERN CC[C@](C)(CO)CC1CCCC1 85039441 572629324 /nfs/dbraw/zinc/62/93/24/572629324.db2.gz ZNMIOBWTJKXJPI-NSHDSACASA-N 0 0 170.296 2.975 10 0 AFAERN CC(C)[C@H](CO)Cc1cccs1 85040899 572630035 /nfs/dbraw/zinc/63/00/35/572630035.db2.gz NXPPMWJBCILTJK-VIFPVBQESA-N 0 0 184.304 2.555 10 0 AFAERN CCC[C@@H](CO)Cc1ccccc1C 85040163 572629351 /nfs/dbraw/zinc/62/93/51/572629351.db2.gz AEFRIHPEVBMQQD-GFCCVEGCSA-N 0 0 192.302 2.946 10 0 AFAERN C/C(=C/c1cccc(F)c1F)[C@H](C)O 379497099 572629379 /nfs/dbraw/zinc/62/93/79/572629379.db2.gz BLMXADIOPYFZBZ-UAPHAKCISA-N 0 0 198.212 2.749 10 0 AFAERN CCC[C@H](CO)CC1CCCC1 85040288 572629396 /nfs/dbraw/zinc/62/93/96/572629396.db2.gz RJUGYCIBZAHNHY-NSHDSACASA-N 0 0 170.296 2.975 10 0 AFAERN Cc1cc(O)c(C)c(C2CC2)c1 115599857 572629410 /nfs/dbraw/zinc/62/94/10/572629410.db2.gz HGOPOSFFPWWUCQ-UHFFFAOYSA-N 0 0 162.232 2.886 10 0 AFAERN CC[C@](C)(CO)Cc1ccccc1C 85039295 572629431 /nfs/dbraw/zinc/62/94/31/572629431.db2.gz VAHYLPDGKGXZAQ-ZDUSSCGKSA-N 0 0 192.302 2.946 10 0 AFAERN CC[C@@](C)(CO)Cc1ccccc1 85039509 572629448 /nfs/dbraw/zinc/62/94/48/572629448.db2.gz AWCHNNHWHLPCTB-GFCCVEGCSA-N 0 0 178.275 2.638 10 0 AFAERN CC[C@@](C)(CO)CCC(C)C 85039379 572629459 /nfs/dbraw/zinc/62/94/59/572629459.db2.gz BXXFUDLHJKLLDU-SNVBAGLBSA-N 0 0 158.285 2.831 10 0 AFAERN CCC[C@@](C)(CO)CCOC(C)C 85038239 572629495 /nfs/dbraw/zinc/62/94/95/572629495.db2.gz RXPLEFZAOZKEQU-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCOCC[C@@](C)(CC)CO 85039668 572629516 /nfs/dbraw/zinc/62/95/16/572629516.db2.gz LTJYKPGMTZPFCJ-LLVKDONJSA-N 0 0 188.311 2.602 10 0 AFAERN CCC[C@H](CO)CCC(C)C 85040238 572629614 /nfs/dbraw/zinc/62/96/14/572629614.db2.gz QEVWDMOIPOLQBL-JTQLQIEISA-N 0 0 158.285 2.831 10 0 AFAERN CC[C@](C)(CO)Cc1cccc(F)c1 85039317 572629632 /nfs/dbraw/zinc/62/96/32/572629632.db2.gz JAFHWTBSOVRBJU-LBPRGKRZSA-N 0 0 196.265 2.777 10 0 AFAERN CC[C@@](C)(CO)Cc1cccs1 85039582 572629649 /nfs/dbraw/zinc/62/96/49/572629649.db2.gz OOXJCSJSTYWCOJ-SNVBAGLBSA-N 0 0 184.304 2.699 10 0 AFAERN CCC[C@@H](CO)CCC(C)C 85040240 572629674 /nfs/dbraw/zinc/62/96/74/572629674.db2.gz QEVWDMOIPOLQBL-SNVBAGLBSA-N 0 0 158.285 2.831 10 0 AFAERN CCNc1ccc2cccc(C)c2n1 70055388 572629778 /nfs/dbraw/zinc/62/97/78/572629778.db2.gz KGEIVLYQMVMVKH-UHFFFAOYSA-N 0 0 186.258 2.975 10 0 AFAERN Cc1ccnn1C[C@H]1Cc2ccccc21 90981831 572629818 /nfs/dbraw/zinc/62/98/18/572629818.db2.gz JXYDVNFDOIYCSA-GFCCVEGCSA-N 0 0 198.269 2.531 10 0 AFAERN Cc1ccccc1C[C@H](CO)C(C)C 85040623 572629929 /nfs/dbraw/zinc/62/99/29/572629929.db2.gz FPMWYJYGARTTEK-CYBMUJFWSA-N 0 0 192.302 2.802 10 0 AFAERN CC[C@@H](CO)Cc1ccc(C)c(C)c1 85041332 572630044 /nfs/dbraw/zinc/63/00/44/572630044.db2.gz IPKDTCSGMIQVRX-GFCCVEGCSA-N 0 0 192.302 2.864 10 0 AFAERN Cc1nccn1C[C@@H]1Cc2ccccc21 90981816 572630047 /nfs/dbraw/zinc/63/00/47/572630047.db2.gz OKBVTQRQTYSSFO-LBPRGKRZSA-N 0 0 198.269 2.531 10 0 AFAERN CC[C@@H](C)C[C@@H](CO)C(C)C 85040733 572630087 /nfs/dbraw/zinc/63/00/87/572630087.db2.gz VHGVOODVCUKVCL-ZJUUUORDSA-N 0 0 158.285 2.687 10 0 AFAERN CNc1ccc2ccc(F)c(F)c2n1 70055302 572630201 /nfs/dbraw/zinc/63/02/01/572630201.db2.gz XZCJRGNZONHUMT-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN CC(C)[C@H](CO)Cc1cccc(F)c1 85040640 572630309 /nfs/dbraw/zinc/63/03/09/572630309.db2.gz OAOAJZFYWNUELS-NSHDSACASA-N 0 0 196.265 2.633 10 0 AFAERN CNc1ccc2c(C)ccc(C)c2n1 70055197 572630440 /nfs/dbraw/zinc/63/04/40/572630440.db2.gz LWGHJJNROASFGA-UHFFFAOYSA-N 0 0 186.258 2.893 10 0 AFAERN CCNc1ccc2cccc(F)c2n1 70060511 572630448 /nfs/dbraw/zinc/63/04/48/572630448.db2.gz AFYILPONSIMHEM-UHFFFAOYSA-N 0 0 190.221 2.806 10 0 AFAERN CC(C)C(=O)CC[C@@H](C)CCO 238366755 572630514 /nfs/dbraw/zinc/63/05/14/572630514.db2.gz OXQJXAMPZGTTEK-SECBINFHSA-N 0 0 172.268 2.637 10 0 AFAERN CC[C@H](CO)Cc1cc(C)cc(C)c1 85041266 572630520 /nfs/dbraw/zinc/63/05/20/572630520.db2.gz LBKWKUUWPMEQIG-LBPRGKRZSA-N 0 0 192.302 2.864 10 0 AFAERN CC[C@H](CO)CCc1cccs1 85041141 572630537 /nfs/dbraw/zinc/63/05/37/572630537.db2.gz IKKBPVIWZRAKFC-VIFPVBQESA-N 0 0 184.304 2.699 10 0 AFAERN CC(C)[C@H](CO)CCc1ccsc1 85041054 572630418 /nfs/dbraw/zinc/63/04/18/572630418.db2.gz HGGGDLYYKZCAFK-NSHDSACASA-N 0 0 198.331 2.945 10 0 AFAERN CC[C@H](CO)Cc1cccc(C)c1 85041233 572630645 /nfs/dbraw/zinc/63/06/45/572630645.db2.gz GAQMPRCAMOFUFL-NSHDSACASA-N 0 0 178.275 2.556 10 0 AFAERN CCCC[C@@H](CO)c1ccccc1 85041559 572630670 /nfs/dbraw/zinc/63/06/70/572630670.db2.gz HICVLDGMWDLPEH-LBPRGKRZSA-N 0 0 178.275 2.953 10 0 AFAERN CCC[C@@H](CO)Cc1ccsc1 85040558 572630689 /nfs/dbraw/zinc/63/06/89/572630689.db2.gz MDYYCKXDZDHPQB-SECBINFHSA-N 0 0 184.304 2.699 10 0 AFAERN CNc1ccc2cc(C)cc(C)c2n1 70055485 572630716 /nfs/dbraw/zinc/63/07/16/572630716.db2.gz UKAZGHUPSXPRMH-UHFFFAOYSA-N 0 0 186.258 2.893 10 0 AFAERN CCCCOCC[C@@H](CO)CCC 85040514 572630719 /nfs/dbraw/zinc/63/07/19/572630719.db2.gz PCUMOEDOHHRAEL-NSHDSACASA-N 0 0 188.311 2.602 10 0 AFAERN CC[C@H](CO)Cc1ccc(Cl)cc1 85041310 572630760 /nfs/dbraw/zinc/63/07/60/572630760.db2.gz GXLNZLYPKFGOPX-VIFPVBQESA-N 0 0 198.693 2.901 10 0 AFAERN CC[C@@H](CO)Cc1cc(C)ccc1C 85041232 572630798 /nfs/dbraw/zinc/63/07/98/572630798.db2.gz ZHHCHAUIPGPKLW-GFCCVEGCSA-N 0 0 192.302 2.864 10 0 AFAERN CCc1ccc(C[C@H](CC)CO)cc1 85041351 572630891 /nfs/dbraw/zinc/63/08/91/572630891.db2.gz DENNCFQZANKPBN-LBPRGKRZSA-N 0 0 192.302 2.810 10 0 AFAERN CC(C)[C@@H](CO)Cc1ccsc1 85041045 572631023 /nfs/dbraw/zinc/63/10/23/572631023.db2.gz HMJVTIDCHWUUSY-SNVBAGLBSA-N 0 0 184.304 2.555 10 0 AFAERN CCC[C@H](CO)Cc1ccsc1 85040555 572631064 /nfs/dbraw/zinc/63/10/64/572631064.db2.gz MDYYCKXDZDHPQB-VIFPVBQESA-N 0 0 184.304 2.699 10 0 AFAERN CC(C)=C=CCC[C@@H](C)CCO 238366839 572631125 /nfs/dbraw/zinc/63/11/25/572631125.db2.gz AOQMFNWWUACZJA-LLVKDONJSA-N 0 0 168.280 2.906 10 0 AFAERN Cc1ccc(C[C@@H](CO)C(C)C)cc1 85040726 572631128 /nfs/dbraw/zinc/63/11/28/572631128.db2.gz NNIQPSQIHIWJNW-ZDUSSCGKSA-N 0 0 192.302 2.802 10 0 AFAERN COc1cccc2c1[nH]c1cccnc12 238367098 572631227 /nfs/dbraw/zinc/63/12/27/572631227.db2.gz NQWALHMVXMLRCV-UHFFFAOYSA-N 0 0 198.225 2.725 10 0 AFAERN CCc1ccc(C[C@H](CC)CO)s1 85041395 572631243 /nfs/dbraw/zinc/63/12/43/572631243.db2.gz MVBRYECKOYFQNP-VIFPVBQESA-N 0 0 198.331 2.872 10 0 AFAERN CC[C@@H](C)C[C@H](CO)C(C)C 85040737 572631329 /nfs/dbraw/zinc/63/13/29/572631329.db2.gz VHGVOODVCUKVCL-NXEZZACHSA-N 0 0 158.285 2.687 10 0 AFAERN CC[C@@H](CO)CCc1cccs1 85041143 572631352 /nfs/dbraw/zinc/63/13/52/572631352.db2.gz IKKBPVIWZRAKFC-SECBINFHSA-N 0 0 184.304 2.699 10 0 AFAERN Cc1ccn(C[C@@H]2Cc3ccccc32)n1 90981828 572631358 /nfs/dbraw/zinc/63/13/58/572631358.db2.gz FHQLEMIGJBIBHM-LBPRGKRZSA-N 0 0 198.269 2.531 10 0 AFAERN CC(C)[C@@H](CO)Cc1ccc(F)cc1 85040705 572631370 /nfs/dbraw/zinc/63/13/70/572631370.db2.gz RPLHZUHYWQFLLN-LLVKDONJSA-N 0 0 196.265 2.633 10 0 AFAERN Cc1ccnc(SCC(C)C)c1N 70063267 572631407 /nfs/dbraw/zinc/63/14/07/572631407.db2.gz QMYJGUJNWCOUOP-UHFFFAOYSA-N 0 0 196.319 2.720 10 0 AFAERN CC[C@H](C)Sc1nccc(C)c1N 70063260 572631445 /nfs/dbraw/zinc/63/14/45/572631445.db2.gz JZBUQNWIGGRPDP-QMMMGPOBSA-N 0 0 196.319 2.863 10 0 AFAERN CNc1ccc2c(F)ccc(F)c2n1 70060547 572631476 /nfs/dbraw/zinc/63/14/76/572631476.db2.gz FRLDOPPOWIFXJL-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN CNc1ccc2cc(C)cc(F)c2n1 70055188 572631487 /nfs/dbraw/zinc/63/14/87/572631487.db2.gz WBXRVVLMHQQMQR-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN Cc1ccccc1C[C@@H](CO)C(C)C 85040621 572631488 /nfs/dbraw/zinc/63/14/88/572631488.db2.gz FPMWYJYGARTTEK-ZDUSSCGKSA-N 0 0 192.302 2.802 10 0 AFAERN CCCCOCC[C@H](CO)CCC 85040511 572631506 /nfs/dbraw/zinc/63/15/06/572631506.db2.gz PCUMOEDOHHRAEL-LLVKDONJSA-N 0 0 188.311 2.602 10 0 AFAERN CC(C)[C@H](CO)Cc1ccccc1F 85040927 572631568 /nfs/dbraw/zinc/63/15/68/572631568.db2.gz VBUULDULDNOUNG-NSHDSACASA-N 0 0 196.265 2.633 10 0 AFAERN CC[C@H](CO)Cc1cc(C)ccc1C 85041230 572631602 /nfs/dbraw/zinc/63/16/02/572631602.db2.gz ZHHCHAUIPGPKLW-LBPRGKRZSA-N 0 0 192.302 2.864 10 0 AFAERN CC[C@@H](C)Sc1nccc(C)c1N 70063259 572631576 /nfs/dbraw/zinc/63/15/76/572631576.db2.gz JZBUQNWIGGRPDP-MRVPVSSYSA-N 0 0 196.319 2.863 10 0 AFAERN CC(C)[C@H](CO)Cc1ccsc1 85041043 572631594 /nfs/dbraw/zinc/63/15/94/572631594.db2.gz HMJVTIDCHWUUSY-JTQLQIEISA-N 0 0 184.304 2.555 10 0 AFAERN CC(C)[C@@H](CO)CCc1ccsc1 85041056 572631749 /nfs/dbraw/zinc/63/17/49/572631749.db2.gz HGGGDLYYKZCAFK-LLVKDONJSA-N 0 0 198.331 2.945 10 0 AFAERN O=Cc1cccnc1C1CCCC1 74308653 572631765 /nfs/dbraw/zinc/63/17/65/572631765.db2.gz SFDWOSPSQXTOPB-UHFFFAOYSA-N 0 0 175.231 2.552 10 0 AFAERN CCCCC[C@H](CO)C(C)C 85040885 572631791 /nfs/dbraw/zinc/63/17/91/572631791.db2.gz AOWJVNTZMBKLQO-SNVBAGLBSA-N 0 0 158.285 2.831 10 0 AFAERN CO[C@H](C)[C@](C)(O)C1=CCCCCC1 234778916 572631796 /nfs/dbraw/zinc/63/17/96/572631796.db2.gz ZVHZTHHLEJGDMB-PWSUYJOCSA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@H](CO)Cc1ccccc1C 85041098 572631814 /nfs/dbraw/zinc/63/18/14/572631814.db2.gz FJSUGPQOEGHQKE-NSHDSACASA-N 0 0 178.275 2.556 10 0 AFAERN Cc1cccc(C[C@H](CO)C(C)C)c1 85040758 572631870 /nfs/dbraw/zinc/63/18/70/572631870.db2.gz CLGWCWFCIRFTFU-CYBMUJFWSA-N 0 0 192.302 2.802 10 0 AFAERN CC(C)[C@H](CO)CC1CCCC1 85040759 572631889 /nfs/dbraw/zinc/63/18/89/572631889.db2.gz GNGBOSQMOFCTLN-NSHDSACASA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)[C@@H](CO)CCc1cccs1 85040660 572631909 /nfs/dbraw/zinc/63/19/09/572631909.db2.gz IGZANTZIILFDCT-SNVBAGLBSA-N 0 0 198.331 2.945 10 0 AFAERN Cc1cccc(C[C@@H](CO)C(C)C)c1 85040756 572631935 /nfs/dbraw/zinc/63/19/35/572631935.db2.gz CLGWCWFCIRFTFU-ZDUSSCGKSA-N 0 0 192.302 2.802 10 0 AFAERN CC[C@@H](CO)CCc1ccsc1 85041530 572632036 /nfs/dbraw/zinc/63/20/36/572632036.db2.gz AKIWHZQEVQKJDM-SECBINFHSA-N 0 0 184.304 2.699 10 0 AFAERN CCC[C@H](CO)Cc1cccs1 85040424 572632917 /nfs/dbraw/zinc/63/29/17/572632917.db2.gz CXUZRVDIPKICHP-VIFPVBQESA-N 0 0 184.304 2.699 10 0 AFAERN CCC(C)(C)Oc1nccc(C)c1N 70063191 572632244 /nfs/dbraw/zinc/63/22/44/572632244.db2.gz ATLKRCPWRFVJGC-UHFFFAOYSA-N 0 0 194.278 2.540 10 0 AFAERN CCc1ccc(C[C@@H](CC)CO)s1 85041394 572632291 /nfs/dbraw/zinc/63/22/91/572632291.db2.gz MVBRYECKOYFQNP-SECBINFHSA-N 0 0 198.331 2.872 10 0 AFAERN CC(C)[C@@H](CO)Cc1cccs1 85040901 572632335 /nfs/dbraw/zinc/63/23/35/572632335.db2.gz NXPPMWJBCILTJK-SECBINFHSA-N 0 0 184.304 2.555 10 0 AFAERN CC(C)[C@@H](CO)CC1CCCC1 85040761 572632379 /nfs/dbraw/zinc/63/23/79/572632379.db2.gz GNGBOSQMOFCTLN-LLVKDONJSA-N 0 0 170.296 2.831 10 0 AFAERN CNc1ccc2c(F)ccc(C)c2n1 70055176 572632934 /nfs/dbraw/zinc/63/29/34/572632934.db2.gz OYQVLAJRRIVINU-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CC[C@H](CO)Cc1ccc(C)c(C)c1 85041330 572632457 /nfs/dbraw/zinc/63/24/57/572632457.db2.gz IPKDTCSGMIQVRX-LBPRGKRZSA-N 0 0 192.302 2.864 10 0 AFAERN CC[C@H](C)C[C@@H](CO)C(C)C 85040735 572632561 /nfs/dbraw/zinc/63/25/61/572632561.db2.gz VHGVOODVCUKVCL-UWVGGRQHSA-N 0 0 158.285 2.687 10 0 AFAERN CC(C)[C@]1(c2ccccc2)N[C@H]1C 256005755 572632596 /nfs/dbraw/zinc/63/25/96/572632596.db2.gz UZNJPZORKDIHBN-JQWIXIFHSA-N 0 0 175.275 2.530 10 0 AFAERN Cc1nccn1C[C@H]1Cc2ccccc21 90981817 572632616 /nfs/dbraw/zinc/63/26/16/572632616.db2.gz OKBVTQRQTYSSFO-GFCCVEGCSA-N 0 0 198.269 2.531 10 0 AFAERN CCC[C@@H](CO)Cc1cccs1 85040426 572632646 /nfs/dbraw/zinc/63/26/46/572632646.db2.gz CXUZRVDIPKICHP-SECBINFHSA-N 0 0 184.304 2.699 10 0 AFAERN CC[C@H](CO)CCc1ccsc1 85041528 572632698 /nfs/dbraw/zinc/63/26/98/572632698.db2.gz AKIWHZQEVQKJDM-VIFPVBQESA-N 0 0 184.304 2.699 10 0 AFAERN CC(C)[C@H](CO)CCc1cccs1 85040658 572632760 /nfs/dbraw/zinc/63/27/60/572632760.db2.gz IGZANTZIILFDCT-JTQLQIEISA-N 0 0 198.331 2.945 10 0 AFAERN CC(C)[C@H](CO)Cc1ccc(F)cc1 85040703 572632787 /nfs/dbraw/zinc/63/27/87/572632787.db2.gz RPLHZUHYWQFLLN-NSHDSACASA-N 0 0 196.265 2.633 10 0 AFAERN Cc1ccn(C[C@H]2Cc3ccccc32)n1 90981829 572632850 /nfs/dbraw/zinc/63/28/50/572632850.db2.gz FHQLEMIGJBIBHM-GFCCVEGCSA-N 0 0 198.269 2.531 10 0 AFAERN CC[C@@H](CO)Cc1cc(C)cc(C)c1 85041269 572632886 /nfs/dbraw/zinc/63/28/86/572632886.db2.gz LBKWKUUWPMEQIG-GFCCVEGCSA-N 0 0 192.302 2.864 10 0 AFAERN CC[C@@H](CO)Cc1ccccc1C 85041100 572632890 /nfs/dbraw/zinc/63/28/90/572632890.db2.gz FJSUGPQOEGHQKE-LLVKDONJSA-N 0 0 178.275 2.556 10 0 AFAERN Cc1ccnn1C[C@@H]1Cc2ccccc21 90981830 572632978 /nfs/dbraw/zinc/63/29/78/572632978.db2.gz JXYDVNFDOIYCSA-LBPRGKRZSA-N 0 0 198.269 2.531 10 0 AFAERN CCCCC[C@@H](CO)C(C)C 85040883 572633002 /nfs/dbraw/zinc/63/30/02/572633002.db2.gz AOWJVNTZMBKLQO-JTQLQIEISA-N 0 0 158.285 2.831 10 0 AFAERN CC(C)[C@@H](CO)Cc1ccccc1F 85040929 572633044 /nfs/dbraw/zinc/63/30/44/572633044.db2.gz VBUULDULDNOUNG-LLVKDONJSA-N 0 0 196.265 2.633 10 0 AFAERN CCCc1cccc2ccc(N)nc12 70055342 572633140 /nfs/dbraw/zinc/63/31/40/572633140.db2.gz HBNXZIOJAWJAGC-UHFFFAOYSA-N 0 0 186.258 2.770 10 0 AFAERN CC[C@H](CO)Cc1ccccc1Cl 85041314 572633227 /nfs/dbraw/zinc/63/32/27/572633227.db2.gz SRGFNTJXOXXONL-VIFPVBQESA-N 0 0 198.693 2.901 10 0 AFAERN CC[C@@H](CO)Cc1cccc(C)c1 85041236 572633329 /nfs/dbraw/zinc/63/33/29/572633329.db2.gz GAQMPRCAMOFUFL-LLVKDONJSA-N 0 0 178.275 2.556 10 0 AFAERN C[C@H](C=C=CCc1ccccc1)CO 238369703 572633347 /nfs/dbraw/zinc/63/33/47/572633347.db2.gz SSTQCUFDBPJZES-AVQSDEANSA-N 0 0 188.270 2.569 10 0 AFAERN CC[C@@H](CO)CCC(C)(C)C 85041265 572633382 /nfs/dbraw/zinc/63/33/82/572633382.db2.gz DXDJMJLAABGHOH-SECBINFHSA-N 0 0 158.285 2.831 10 0 AFAERN CC(C)[C@@H](CO)Cc1cccc(F)c1 85040643 572633474 /nfs/dbraw/zinc/63/34/74/572633474.db2.gz OAOAJZFYWNUELS-LLVKDONJSA-N 0 0 196.265 2.633 10 0 AFAERN CCc1ccc(C[C@@H](CC)CO)cc1 85041349 572633546 /nfs/dbraw/zinc/63/35/46/572633546.db2.gz DENNCFQZANKPBN-GFCCVEGCSA-N 0 0 192.302 2.810 10 0 AFAERN CCC[C@@H](CO)Cc1ccccc1F 85040452 572633554 /nfs/dbraw/zinc/63/35/54/572633554.db2.gz RVLFBGAUFUKFQI-SNVBAGLBSA-N 0 0 196.265 2.777 10 0 AFAERN CC[C@H](C)C[C@H](CO)C(C)C 85040738 572633592 /nfs/dbraw/zinc/63/35/92/572633592.db2.gz VHGVOODVCUKVCL-VHSXEESVSA-N 0 0 158.285 2.687 10 0 AFAERN CC[C@H](CO)CCC(C)(C)C 85041262 572633625 /nfs/dbraw/zinc/63/36/25/572633625.db2.gz DXDJMJLAABGHOH-VIFPVBQESA-N 0 0 158.285 2.831 10 0 AFAERN CCNc1cc(F)c2c(c1)C[C@@H](C)N2 713730322 572633970 /nfs/dbraw/zinc/63/39/70/572633970.db2.gz GCNMDQWGZHXNSB-SSDOTTSWSA-N 0 0 194.253 2.614 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]1(O)C1CCC1 235272705 572634001 /nfs/dbraw/zinc/63/40/01/572634001.db2.gz RVCYAJZSULKXJT-SKDRFNHKSA-N 0 0 182.307 2.974 10 0 AFAERN CC(=O)COc1ccc(Cl)c(C)c1 48101432 572634272 /nfs/dbraw/zinc/63/42/72/572634272.db2.gz VQCYLCGYVADWIR-UHFFFAOYSA-N 0 0 198.649 2.616 10 0 AFAERN O[C@H](c1ccoc1)C1CCCC1 70079037 572634301 /nfs/dbraw/zinc/63/43/01/572634301.db2.gz DOKOVCZSUZGBDY-JTQLQIEISA-N 0 0 166.220 2.503 10 0 AFAERN CCCNc1ccc2c(c1)N[C@H](C)C2 713729277 572634304 /nfs/dbraw/zinc/63/43/04/572634304.db2.gz CDYZNBSUYKRMQL-SECBINFHSA-N 0 0 190.290 2.865 10 0 AFAERN Cc1csc([C@@H](C)O)c1Cl 235271576 572634390 /nfs/dbraw/zinc/63/43/90/572634390.db2.gz NWOLYJXKAIQZDU-RXMQYKEDSA-N 0 0 176.668 2.763 10 0 AFAERN COc1ccn2c1-c1ccccc1CC2 238369734 572634475 /nfs/dbraw/zinc/63/44/75/572634475.db2.gz VHLWEPVUUGBKGC-UHFFFAOYSA-N 0 0 199.253 2.720 10 0 AFAERN CCCc1cc2ccc(N)cc2[nH]1 74309095 572634557 /nfs/dbraw/zinc/63/45/57/572634557.db2.gz FMKXFZISUFGYPF-UHFFFAOYSA-N 0 0 174.247 2.703 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]1(O)C(F)(F)F 235271535 572634762 /nfs/dbraw/zinc/63/47/62/572634762.db2.gz PVFYVPCUZYBZSJ-SVRRBLITSA-N 0 0 196.212 2.736 10 0 AFAERN CCNc1ccc2[nH]c(C)cc2c1 74309065 572634971 /nfs/dbraw/zinc/63/49/71/572634971.db2.gz OVTKEPOVWYDIBU-UHFFFAOYSA-N 0 0 174.247 2.908 10 0 AFAERN CCNc1cc(F)c2c(c1)C[C@H](C)N2 713730324 572635602 /nfs/dbraw/zinc/63/56/02/572635602.db2.gz GCNMDQWGZHXNSB-ZETCQYMHSA-N 0 0 194.253 2.614 10 0 AFAERN C1CC[C@@]2(CCSC2)SC1 74309021 572635597 /nfs/dbraw/zinc/63/55/97/572635597.db2.gz PHEORZGZQAKQPM-QMMMGPOBSA-N 0 0 174.334 2.779 10 0 AFAERN CCc1cc2cc(C)c(N)cc2[nH]1 74309096 572635834 /nfs/dbraw/zinc/63/58/34/572635834.db2.gz NRCSFFMMZAYPSY-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN C[C@@H]1CCC[C@@]1(O)CCC1CC1 235274756 572636043 /nfs/dbraw/zinc/63/60/43/572636043.db2.gz CIDJMESQQFODIB-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN COC[C@H](O)C(C)=C=C(C)C(C)(C)C 238370176 572636290 /nfs/dbraw/zinc/63/62/90/572636290.db2.gz XWDVQNSTKZJUCZ-QRIDDKLISA-N 0 0 198.306 2.531 10 0 AFAERN CCC(=O)c1nccc2ccccc12 70079424 572636338 /nfs/dbraw/zinc/63/63/38/572636338.db2.gz USGRVESJNMWSEP-UHFFFAOYSA-N 0 0 185.226 2.828 10 0 AFAERN CCCNc1ccc2c(c1)N[C@@H](C)C2 713729283 572636340 /nfs/dbraw/zinc/63/63/40/572636340.db2.gz CDYZNBSUYKRMQL-VIFPVBQESA-N 0 0 190.290 2.865 10 0 AFAERN O[C@@H](c1ccoc1)C1CCCC1 70079036 572636463 /nfs/dbraw/zinc/63/64/63/572636463.db2.gz DOKOVCZSUZGBDY-SNVBAGLBSA-N 0 0 166.220 2.503 10 0 AFAERN Cc1ccc([C@@]2(O)C[C@H]2C)c(Cl)c1 235278795 572637368 /nfs/dbraw/zinc/63/73/68/572637368.db2.gz RJYVBUOBRPKSHV-LDYMZIIASA-N 0 0 196.677 2.876 10 0 AFAERN CC[C@@H](CC(C)C)c1[nH]nc(N)c1C 308084077 572637716 /nfs/dbraw/zinc/63/77/16/572637716.db2.gz UIZSFALNHZDSKT-VIFPVBQESA-N 0 0 195.310 2.840 10 0 AFAERN COC1=CCc2c([nH]c3ccccc23)C1 238375842 572637940 /nfs/dbraw/zinc/63/79/40/572637940.db2.gz SUZIKURJESMGDT-UHFFFAOYSA-N 0 0 199.253 2.797 10 0 AFAERN Cc1cc(C)cc(-n2nccc2C)c1 48218372 572638179 /nfs/dbraw/zinc/63/81/79/572638179.db2.gz WJMICMLOHXSUCS-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN CC[C@@H](C)c1ncc(C(C)=O)s1 54159219 572638412 /nfs/dbraw/zinc/63/84/12/572638412.db2.gz NBLNLWMNOZLRNZ-ZCFIWIBFSA-N 0 0 183.276 2.859 10 0 AFAERN Cc1ccc(-n2nccc2C)c(C)c1 48218341 572638472 /nfs/dbraw/zinc/63/84/72/572638472.db2.gz DRPSQQWNMUAITK-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN OCc1ccc(Cl)c(Cl)c1F 299889571 572638594 /nfs/dbraw/zinc/63/85/94/572638594.db2.gz LCSIILQDCIVOSB-UHFFFAOYSA-N 0 0 195.020 2.625 10 0 AFAERN Cc1ccc(Cn2nccc2C)cc1 48218343 572639550 /nfs/dbraw/zinc/63/95/50/572639550.db2.gz VXJGWVMMDWYOCC-UHFFFAOYSA-N 0 0 186.258 2.548 10 0 AFAERN CC[C@H](CC(C)C)c1[nH]nc(N)c1C 308084076 572640217 /nfs/dbraw/zinc/64/02/17/572640217.db2.gz UIZSFALNHZDSKT-SECBINFHSA-N 0 0 195.310 2.840 10 0 AFAERN CCO/C=C\[P@@](=O)(CC)OCC 83304633 572640339 /nfs/dbraw/zinc/64/03/39/572640339.db2.gz SKENHCHIQYHFJZ-QDZRJHCZSA-N 0 0 192.195 2.829 10 0 AFAERN CCCCC[C@@H](C)n1nccc1N 87648243 572644153 /nfs/dbraw/zinc/64/41/53/572644153.db2.gz JGGSLKFQYUOXTL-SECBINFHSA-N 0 0 181.283 2.607 10 0 AFAERN C/C=C\c1ccncc1Br 115986445 572641534 /nfs/dbraw/zinc/64/15/34/572641534.db2.gz UFRAJSFHIHQQOZ-IHWYPQMZSA-N 0 0 198.063 2.877 10 0 AFAERN CC[C@H](C)c1ncc(C(C)=O)s1 54159220 572641716 /nfs/dbraw/zinc/64/17/16/572641716.db2.gz NBLNLWMNOZLRNZ-LURJTMIESA-N 0 0 183.276 2.859 10 0 AFAERN Cc1ccc(C)c(-n2nccc2C)c1 48218345 572641868 /nfs/dbraw/zinc/64/18/68/572641868.db2.gz KWPXMNNSIYURLI-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN C/C=C\CCNC(=O)C(C)(C)CC 308084360 572642189 /nfs/dbraw/zinc/64/21/89/572642189.db2.gz CXIKDEUVRFEGSX-ALCCZGGFSA-N 0 0 183.295 2.505 10 0 AFAERN CC(C)(C)c1cccc2c1C(=O)CO2 714116007 572642342 /nfs/dbraw/zinc/64/23/42/572642342.db2.gz FZSWFDRFDFMFAF-UHFFFAOYSA-N 0 0 190.242 2.559 10 0 AFAERN CCC[C@@](C)(O)Cc1ccccc1F 87648474 572642753 /nfs/dbraw/zinc/64/27/53/572642753.db2.gz JDJWHEVQTODWBX-GFCCVEGCSA-N 0 0 196.265 2.919 10 0 AFAERN CCC[C@](C)(O)Cc1cccc(F)c1 87648693 572643095 /nfs/dbraw/zinc/64/30/95/572643095.db2.gz DTXCFQFMCZYELQ-LBPRGKRZSA-N 0 0 196.265 2.919 10 0 AFAERN CCC[C@](C)(O)Cc1nc(C)cs1 87648715 572644686 /nfs/dbraw/zinc/64/46/86/572644686.db2.gz QDUXHJJUXFEXIK-JTQLQIEISA-N 0 0 199.319 2.545 10 0 AFAERN CCCCC[C@](C)(O)COCCC 87649515 572643590 /nfs/dbraw/zinc/64/35/90/572643590.db2.gz RFTHVPXZOOWEKL-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN CCCCC[C@H](C)n1ncc(C)c1N 87648246 572643657 /nfs/dbraw/zinc/64/36/57/572643657.db2.gz HRFKBCVLTCAQPL-JTQLQIEISA-N 0 0 195.310 2.915 10 0 AFAERN CCCCC[C@H](C)n1nc(C)cc1N 87648248 572643921 /nfs/dbraw/zinc/64/39/21/572643921.db2.gz YLKCVFBMIWXDDD-JTQLQIEISA-N 0 0 195.310 2.915 10 0 AFAERN CCC[C@](C)(O)CCC(F)(F)F 87649429 572643928 /nfs/dbraw/zinc/64/39/28/572643928.db2.gz GYKHWFSZAFZMRO-ZETCQYMHSA-N 0 0 184.201 2.880 10 0 AFAERN CC(C)CCc1ncc([C@@H](C)O)s1 54160841 572643987 /nfs/dbraw/zinc/64/39/87/572643987.db2.gz ULWKHBDQBAMZKP-MRVPVSSYSA-N 0 0 199.319 2.785 10 0 AFAERN CCC[C@@](C)(O)C(CC)CC 87648484 572643995 /nfs/dbraw/zinc/64/39/95/572643995.db2.gz SVSFEUJGENGCDK-SNVBAGLBSA-N 0 0 158.285 2.974 10 0 AFAERN CCCCC[C@](C)(O)C(F)(F)F 87649517 572644043 /nfs/dbraw/zinc/64/40/43/572644043.db2.gz FWJSUHIBHGDCAS-ZETCQYMHSA-N 0 0 184.201 2.880 10 0 AFAERN CCCCC[C@@](C)(O)c1cccnc1 87649010 572644183 /nfs/dbraw/zinc/64/41/83/572644183.db2.gz CKMSXWQVDHXWSI-GFCCVEGCSA-N 0 0 193.290 2.869 10 0 AFAERN CCC[C@@](C)(O)Cc1ccsc1 87648654 572644188 /nfs/dbraw/zinc/64/41/88/572644188.db2.gz VBNTXBWXIUUIAL-SNVBAGLBSA-N 0 0 184.304 2.842 10 0 AFAERN CCC[C@@](C)(O)Cc1cccc(F)c1 87648694 572644204 /nfs/dbraw/zinc/64/42/04/572644204.db2.gz DTXCFQFMCZYELQ-GFCCVEGCSA-N 0 0 196.265 2.919 10 0 AFAERN CCC[C@](C)(O)Cc1csc(C)n1 87648689 572644216 /nfs/dbraw/zinc/64/42/16/572644216.db2.gz AIBJTCMGERZKNI-JTQLQIEISA-N 0 0 199.319 2.545 10 0 AFAERN CCC[C@](C)(O)Cc1cccs1 87648559 572644506 /nfs/dbraw/zinc/64/45/06/572644506.db2.gz RSZHCQBUJJEAKL-JTQLQIEISA-N 0 0 184.304 2.842 10 0 AFAERN CCC[C@@](C)(O)Cc1cccs1 87648560 572644642 /nfs/dbraw/zinc/64/46/42/572644642.db2.gz RSZHCQBUJJEAKL-SNVBAGLBSA-N 0 0 184.304 2.842 10 0 AFAERN CCC[C@](C)(O)Cc1ccccc1F 87648473 572644656 /nfs/dbraw/zinc/64/46/56/572644656.db2.gz JDJWHEVQTODWBX-LBPRGKRZSA-N 0 0 196.265 2.919 10 0 AFAERN CCC[C@@](C)(O)Cc1csc(C)n1 87648690 572644720 /nfs/dbraw/zinc/64/47/20/572644720.db2.gz AIBJTCMGERZKNI-SNVBAGLBSA-N 0 0 199.319 2.545 10 0 AFAERN CCCCC[C@@H](C)n1ncc(C)c1N 87648245 572645112 /nfs/dbraw/zinc/64/51/12/572645112.db2.gz HRFKBCVLTCAQPL-SNVBAGLBSA-N 0 0 195.310 2.915 10 0 AFAERN CC/C(C)=C\[C@@H]1C[C@@H]1C(C)=O 307854404 572645277 /nfs/dbraw/zinc/64/52/77/572645277.db2.gz CWRCKLZYVVMNLQ-BTRAVGFTSA-N 0 0 152.237 2.568 10 0 AFAERN CCCCC[C@@H](C)n1nc(C)cc1N 87648247 572645281 /nfs/dbraw/zinc/64/52/81/572645281.db2.gz YLKCVFBMIWXDDD-SNVBAGLBSA-N 0 0 195.310 2.915 10 0 AFAERN CCC[C@](C)(O)C(CC)CC 87648483 572645395 /nfs/dbraw/zinc/64/53/95/572645395.db2.gz SVSFEUJGENGCDK-JTQLQIEISA-N 0 0 158.285 2.974 10 0 AFAERN C/C(=C/Cl)[C@H]1CCCCC1=O 307854459 572645478 /nfs/dbraw/zinc/64/54/78/572645478.db2.gz CTARTBFFHDLDJW-NFXKFNAJSA-N 0 0 172.655 2.888 10 0 AFAERN CCCCC[C@@](C)(O)C(F)(F)F 87649518 572645522 /nfs/dbraw/zinc/64/55/22/572645522.db2.gz FWJSUHIBHGDCAS-SSDOTTSWSA-N 0 0 184.201 2.880 10 0 AFAERN CCCCC[C@H](C)n1nccc1N 87648244 572645530 /nfs/dbraw/zinc/64/55/30/572645530.db2.gz JGGSLKFQYUOXTL-VIFPVBQESA-N 0 0 181.283 2.607 10 0 AFAERN CCC[C@](C)(O)Cc1ccc(F)cc1 87648527 572645556 /nfs/dbraw/zinc/64/55/56/572645556.db2.gz QSBDGXKQJZYHKX-LBPRGKRZSA-N 0 0 196.265 2.919 10 0 AFAERN CCC[C@@](C)(O)CCC(F)(F)F 87649430 572645615 /nfs/dbraw/zinc/64/56/15/572645615.db2.gz GYKHWFSZAFZMRO-SSDOTTSWSA-N 0 0 184.201 2.880 10 0 AFAERN CCC[C@@](C)(O)Cc1ccc(F)cc1 87648528 572645690 /nfs/dbraw/zinc/64/56/90/572645690.db2.gz QSBDGXKQJZYHKX-GFCCVEGCSA-N 0 0 196.265 2.919 10 0 AFAERN CCCCC[C@@](C)(O)COC(C)C 87649471 572645727 /nfs/dbraw/zinc/64/57/27/572645727.db2.gz PWFKINWGVBZGAM-LLVKDONJSA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)/C(=C/[C@H](C)C(C)C)CO 308085813 572645751 /nfs/dbraw/zinc/64/57/51/572645751.db2.gz NSDTWJVYLPPFLE-OTXQMUPVSA-N 0 0 170.296 2.853 10 0 AFAERN CCCCC[C@](C)(O)COC(C)C 87649470 572645872 /nfs/dbraw/zinc/64/58/72/572645872.db2.gz PWFKINWGVBZGAM-NSHDSACASA-N 0 0 188.311 2.743 10 0 AFAERN CCC[C@@](C)(O)Cc1nc(C)cs1 87648716 572645913 /nfs/dbraw/zinc/64/59/13/572645913.db2.gz QDUXHJJUXFEXIK-SNVBAGLBSA-N 0 0 199.319 2.545 10 0 AFAERN CC(C)/C(=C\[C@H](C)C(C)C)CO 308085814 572645974 /nfs/dbraw/zinc/64/59/74/572645974.db2.gz NSDTWJVYLPPFLE-OYUORYAFSA-N 0 0 170.296 2.853 10 0 AFAERN COC(=O)/C=C/CC/C(C)=C/Cl 307855076 572645980 /nfs/dbraw/zinc/64/59/80/572645980.db2.gz DPOADHSOCKZKAV-GFGVWQOPSA-N 0 0 188.654 2.638 10 0 AFAERN CCCCC[C@@](C)(O)COCCC 87649516 572646043 /nfs/dbraw/zinc/64/60/43/572646043.db2.gz RFTHVPXZOOWEKL-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CCC[C@](C)(O)Cc1ccsc1 87648653 572646083 /nfs/dbraw/zinc/64/60/83/572646083.db2.gz VBNTXBWXIUUIAL-JTQLQIEISA-N 0 0 184.304 2.842 10 0 AFAERN CC(C)/C(=C/[C@@H](C)C(C)C)CO 308085815 572646202 /nfs/dbraw/zinc/64/62/02/572646202.db2.gz NSDTWJVYLPPFLE-VUUNSECVSA-N 0 0 170.296 2.853 10 0 AFAERN CCCCC[C@](C)(O)c1cccnc1 87649009 572646231 /nfs/dbraw/zinc/64/62/31/572646231.db2.gz CKMSXWQVDHXWSI-LBPRGKRZSA-N 0 0 193.290 2.869 10 0 AFAERN C/C(=C/Cl)[C@@H]1CCCCC1=O 307854464 572646310 /nfs/dbraw/zinc/64/63/10/572646310.db2.gz CTARTBFFHDLDJW-UAPHAKCISA-N 0 0 172.655 2.888 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@H](C)c1ccccn1 252020154 572646340 /nfs/dbraw/zinc/64/63/40/572646340.db2.gz XGOKSPMXMGIGML-HOSYDEDBSA-N 0 0 193.290 2.592 10 0 AFAERN CC[C@H](C)[C@H](O)[C@H](C)c1ccccn1 252020156 572646350 /nfs/dbraw/zinc/64/63/50/572646350.db2.gz XGOKSPMXMGIGML-UMNHJUIQSA-N 0 0 193.290 2.592 10 0 AFAERN C[C@@H](O)CC[C@@H](C)Nc1ccccc1 238379149 572646391 /nfs/dbraw/zinc/64/63/91/572646391.db2.gz IPGOQEILSJBZJI-GHMZBOCLSA-N 0 0 193.290 2.648 10 0 AFAERN COC(=O)/C=C/CC/C(C)=C\Cl 307855074 572646786 /nfs/dbraw/zinc/64/67/86/572646786.db2.gz DPOADHSOCKZKAV-AQXDOAQYSA-N 0 0 188.654 2.638 10 0 AFAERN CC/C(C)=C\[C@@H]1C[C@H]1C(C)=O 307854406 572646854 /nfs/dbraw/zinc/64/68/54/572646854.db2.gz CWRCKLZYVVMNLQ-LZDAAXCASA-N 0 0 152.237 2.568 10 0 AFAERN CCCCC[C@@]1(C)CC(=O)CCO1 87649754 572646881 /nfs/dbraw/zinc/64/68/81/572646881.db2.gz DUPPDIPVEGSUNV-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CC[C@@H]1CC[C@H]2CCCC[C@@]12CO 251813490 572646960 /nfs/dbraw/zinc/64/69/60/572646960.db2.gz ZBLJSVMYWUJABA-IJLUTSLNSA-N 0 0 182.307 2.975 10 0 AFAERN CCCCC[C@]1(C)CC(=O)N[C@H]1CC 87649995 572646966 /nfs/dbraw/zinc/64/69/66/572646966.db2.gz HHOPERNXRDZKSV-CMPLNLGQSA-N 0 0 197.322 2.872 10 0 AFAERN CCCCC[C@@]1(C)C[NH2+]C[C@@H](CC)O1 87649894 572647212 /nfs/dbraw/zinc/64/72/12/572647212.db2.gz LQDFSGDGVOFGGN-NEPJUHHUSA-N 0 0 199.338 2.724 10 0 AFAERN CCCCC[C@]1(C)C[NH2+]C[C@@H](CC)O1 87649893 572647258 /nfs/dbraw/zinc/64/72/58/572647258.db2.gz LQDFSGDGVOFGGN-VXGBXAGGSA-N 0 0 199.338 2.724 10 0 AFAERN CCCCC[C@]1(C)CC(=O)CCO1 87649753 572647502 /nfs/dbraw/zinc/64/75/02/572647502.db2.gz DUPPDIPVEGSUNV-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)/C(=C\[C@@H](C)C(C)C)CO 308085812 572648916 /nfs/dbraw/zinc/64/89/16/572648916.db2.gz NSDTWJVYLPPFLE-CHPNCVJKSA-N 0 0 170.296 2.853 10 0 AFAERN CC[C@H](C)/C=C/C=C(/C)CO 307851972 572647669 /nfs/dbraw/zinc/64/76/69/572647669.db2.gz ARRXQHYUXAEMHH-RPVIWJQNSA-N 0 0 154.253 2.527 10 0 AFAERN CCC(=O)CCCCCCF 307851903 572648999 /nfs/dbraw/zinc/64/89/99/572648999.db2.gz AKCRLQSLNINLFX-UHFFFAOYSA-N 0 0 160.232 2.886 10 0 AFAERN CC(C)SCCCC[C@@H](C)O 307852636 572647738 /nfs/dbraw/zinc/64/77/38/572647738.db2.gz AZIBCMYXCMEPNJ-SECBINFHSA-N 0 0 176.325 2.679 10 0 AFAERN CCCCC[C@]1(C)CC(=O)N[C@@H]1CC 87649993 572647798 /nfs/dbraw/zinc/64/77/98/572647798.db2.gz HHOPERNXRDZKSV-ZYHUDNBSSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@@H](CO)CCSC(C)C 307852724 572647861 /nfs/dbraw/zinc/64/78/61/572647861.db2.gz BGILVJKYXANUBS-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CCCCC[C@@]1(C)C[NH2+]C[C@H](CC)O1 87649892 572647863 /nfs/dbraw/zinc/64/78/63/572647863.db2.gz LQDFSGDGVOFGGN-RYUDHWBXSA-N 0 0 199.338 2.724 10 0 AFAERN CCCCC[C@]1(C)C[NH2+]C[C@H](CC)O1 87649891 572647933 /nfs/dbraw/zinc/64/79/33/572647933.db2.gz LQDFSGDGVOFGGN-NWDGAFQWSA-N 0 0 199.338 2.724 10 0 AFAERN CCCCC[C@]1(C)CC(=O)NC1(C)C 87649991 572649085 /nfs/dbraw/zinc/64/90/85/572649085.db2.gz LDQZIBPBQDNSIP-GFCCVEGCSA-N 0 0 197.322 2.872 10 0 AFAERN CCCCC[C@@](C)(N)C(F)(F)F 87649734 572648009 /nfs/dbraw/zinc/64/80/09/572648009.db2.gz KISTZZXJFNKPPM-SSDOTTSWSA-N 0 0 183.217 2.846 10 0 AFAERN CC[C@H](CO)CCSC(C)C 307852727 572648075 /nfs/dbraw/zinc/64/80/75/572648075.db2.gz BGILVJKYXANUBS-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN CCCCC[C@@]1(C)CC(=O)NC1(C)C 87649992 572648098 /nfs/dbraw/zinc/64/80/98/572648098.db2.gz LDQZIBPBQDNSIP-LBPRGKRZSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@@H](C)OCc1ccccc1N 48263906 572648796 /nfs/dbraw/zinc/64/87/96/572648796.db2.gz NVESGKRDTRLEKR-SECBINFHSA-N 0 0 179.263 2.584 10 0 AFAERN C[C@@H](CO)[C@H](C)CC1=CCCC1 238379694 572648820 /nfs/dbraw/zinc/64/88/20/572648820.db2.gz RETUCWMMRVSBKB-ZJUUUORDSA-N 0 0 168.280 2.751 10 0 AFAERN CCCCC[C@@]1(C)CC(=O)N[C@@H]1CC 87649994 572648844 /nfs/dbraw/zinc/64/88/44/572648844.db2.gz HHOPERNXRDZKSV-PWSUYJOCSA-N 0 0 197.322 2.872 10 0 AFAERN CCCCC[C@](C)(N)C(F)(F)F 87649733 572648894 /nfs/dbraw/zinc/64/88/94/572648894.db2.gz KISTZZXJFNKPPM-ZETCQYMHSA-N 0 0 183.217 2.846 10 0 AFAERN CC(C)SCCCC[C@H](C)O 307852638 572649276 /nfs/dbraw/zinc/64/92/76/572649276.db2.gz AZIBCMYXCMEPNJ-VIFPVBQESA-N 0 0 176.325 2.679 10 0 AFAERN CCCCC[C@@]1(C)CC(=O)N[C@H]1CC 87649996 572649278 /nfs/dbraw/zinc/64/92/78/572649278.db2.gz HHOPERNXRDZKSV-JQWIXIFHSA-N 0 0 197.322 2.872 10 0 AFAERN C[C@@H](CC[C@@H](C)O)Nc1ccccc1 238380492 572649596 /nfs/dbraw/zinc/64/95/96/572649596.db2.gz IPGOQEILSJBZJI-WDEREUQCSA-N 0 0 193.290 2.648 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@@H](C/C=C/Cl)C1 235280756 572650462 /nfs/dbraw/zinc/65/04/62/572650462.db2.gz ZMEIGEISEZMMEO-OQIKVFLYSA-N 0 0 188.698 2.926 10 0 AFAERN CCCCc1nc2cc(F)cnc2o1 74328301 572650300 /nfs/dbraw/zinc/65/03/00/572650300.db2.gz CPQPNFHRIQAUEC-UHFFFAOYSA-N 0 0 194.209 2.705 10 0 AFAERN Cc1ccc2nc(C(C)(C)C)oc2n1 74329477 572650354 /nfs/dbraw/zinc/65/03/54/572650354.db2.gz BDVAHHKHKJCQFE-UHFFFAOYSA-N 0 0 190.246 2.829 10 0 AFAERN Cc1ccc2nc(CC(C)C)oc2n1 74329492 572650364 /nfs/dbraw/zinc/65/03/64/572650364.db2.gz NQLIXIBCMLVPRL-UHFFFAOYSA-N 0 0 190.246 2.730 10 0 AFAERN CC(C)C/C=C\[C@H](C)[C@H](C)O 307855982 572654019 /nfs/dbraw/zinc/65/40/19/572654019.db2.gz DGVUYACCKRAKOV-XTKVZWQSSA-N 0 0 156.269 2.606 10 0 AFAERN Fc1ccc2c(c1)C[C@@H]1CCC[NH+]=C21 196901969 572650780 /nfs/dbraw/zinc/65/07/80/572650780.db2.gz VTBIDGAMPFTYFH-QMMMGPOBSA-N 0 0 189.233 2.581 10 0 AFAERN CCCCc1nc2c(C)ccnc2o1 74329772 572650985 /nfs/dbraw/zinc/65/09/85/572650985.db2.gz FGCSVMBSGGLLST-UHFFFAOYSA-N 0 0 190.246 2.874 10 0 AFAERN Cc1ccnc2oc(C(C)(C)C)nc12 74329782 572651030 /nfs/dbraw/zinc/65/10/30/572651030.db2.gz LPUNOCLAKCUMBF-UHFFFAOYSA-N 0 0 190.246 2.829 10 0 AFAERN Cc1ccnc2oc(CC(C)C)nc12 74329792 572651076 /nfs/dbraw/zinc/65/10/76/572651076.db2.gz WWNTZZRLGAGFAS-UHFFFAOYSA-N 0 0 190.246 2.730 10 0 AFAERN C1CC(OCSCC2CC2)C1 307858390 572659991 /nfs/dbraw/zinc/65/99/91/572659991.db2.gz FNJDQJLKUBGYPD-UHFFFAOYSA-N 0 0 172.293 2.656 10 0 AFAERN Fc1ccc2c(c1)C[C@H]1CCC[NH+]=C21 196901956 572651212 /nfs/dbraw/zinc/65/12/12/572651212.db2.gz VTBIDGAMPFTYFH-MRVPVSSYSA-N 0 0 189.233 2.581 10 0 AFAERN CS[C@@H]1CC[C@H](n2cccc2)C1 235184693 572651243 /nfs/dbraw/zinc/65/12/43/572651243.db2.gz WQVLZORLCFJUMA-VHSXEESVSA-N 0 0 181.304 2.945 10 0 AFAERN Cc1ccnc2oc(C(C)C)nc12 74329776 572651295 /nfs/dbraw/zinc/65/12/95/572651295.db2.gz AKISVSUQYJDKKF-UHFFFAOYSA-N 0 0 176.219 2.655 10 0 AFAERN CC(C)C(=O)c1ccc(Cl)cc1O 196909329 572651307 /nfs/dbraw/zinc/65/13/07/572651307.db2.gz YCVNTVGPKVFAAW-UHFFFAOYSA-N 0 0 198.649 2.884 10 0 AFAERN C[C@@H](O)/C=C/CCCc1ccco1 238379837 572651665 /nfs/dbraw/zinc/65/16/65/572651665.db2.gz XHACLXHQOPRYKT-QLCVYAKKSA-N 0 0 180.247 2.539 10 0 AFAERN CC(C)[C@H](O)CCCCCF 307855239 572651693 /nfs/dbraw/zinc/65/16/93/572651693.db2.gz CZJMYLIWCZIEMD-SECBINFHSA-N 0 0 162.248 2.533 10 0 AFAERN CC(C)=C=C(C)[C@@H](O)C(C)(C)C 196910217 572651852 /nfs/dbraw/zinc/65/18/52/572651852.db2.gz QTFARBONIKVESQ-SNVBAGLBSA-N 0 0 168.280 2.905 10 0 AFAERN CC(C)(C)c1nc2cc(F)cnc2o1 74328305 572651863 /nfs/dbraw/zinc/65/18/63/572651863.db2.gz MBLXUZXNFLUJGO-UHFFFAOYSA-N 0 0 194.209 2.659 10 0 AFAERN CCC(C)(C)[C@](C)(O)C(C)C 197991810 572652223 /nfs/dbraw/zinc/65/22/23/572652223.db2.gz ZQFIWHOYWCJIHU-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)Cc1nc2cc(F)cnc2o1 74328317 572652264 /nfs/dbraw/zinc/65/22/64/572652264.db2.gz GMSAVVVKNOTFDN-UHFFFAOYSA-N 0 0 194.209 2.560 10 0 AFAERN CCCCc1nc2ccc(C)nc2o1 74329467 572652322 /nfs/dbraw/zinc/65/23/22/572652322.db2.gz KIJJCFBYIIXWQX-UHFFFAOYSA-N 0 0 190.246 2.874 10 0 AFAERN C[C@@H]1CNc2ccc(OC(F)F)cc21 235280482 572652543 /nfs/dbraw/zinc/65/25/43/572652543.db2.gz TUFRRGMDDVXWFQ-ZCFIWIBFSA-N 0 0 199.200 2.817 10 0 AFAERN Cc1ccc2c(c1Cl)CC(=O)CC2 714118927 572652728 /nfs/dbraw/zinc/65/27/28/572652728.db2.gz BDZFDOMVCZLOFU-UHFFFAOYSA-N 0 0 194.661 2.706 10 0 AFAERN CC(C)=C=C(C)[C@H](O)C(C)(C)C 196910208 572652901 /nfs/dbraw/zinc/65/29/01/572652901.db2.gz QTFARBONIKVESQ-JTQLQIEISA-N 0 0 168.280 2.905 10 0 AFAERN CCC(C)(C)[C@@](C)(O)C(C)C 197991815 572652937 /nfs/dbraw/zinc/65/29/37/572652937.db2.gz ZQFIWHOYWCJIHU-JTQLQIEISA-N 0 0 158.285 2.830 10 0 AFAERN C[C@@H]1C[C@]12CNc1c(F)cc(F)cc12 235281101 572652945 /nfs/dbraw/zinc/65/29/45/572652945.db2.gz IVPCUBIVAHJSAI-KBUNVGBDSA-N 0 0 195.212 2.668 10 0 AFAERN CCCC/C=C(/CO)C(C)C 116044622 572653052 /nfs/dbraw/zinc/65/30/52/572653052.db2.gz FDRVKOAPBJFZMO-YFHOEESVSA-N 0 0 156.269 2.751 10 0 AFAERN Cc1cc(C=O)cc(Cl)c1C 196912072 572653125 /nfs/dbraw/zinc/65/31/25/572653125.db2.gz CCYPTVHPDUYONA-UHFFFAOYSA-N 0 0 168.623 2.769 10 0 AFAERN CC(C)[C@@H](O)CCCCCF 307855240 572653136 /nfs/dbraw/zinc/65/31/36/572653136.db2.gz CZJMYLIWCZIEMD-VIFPVBQESA-N 0 0 162.248 2.533 10 0 AFAERN Cc1ccc2nc(C(C)C)oc2n1 74329472 572653647 /nfs/dbraw/zinc/65/36/47/572653647.db2.gz XDJFHQHVFLYBFP-UHFFFAOYSA-N 0 0 176.219 2.655 10 0 AFAERN COc1cccc(O)c1CCC(C)C 238381823 572654036 /nfs/dbraw/zinc/65/40/36/572654036.db2.gz VOUMVAOVHRBIIW-UHFFFAOYSA-N 0 0 194.274 2.989 10 0 AFAERN CC(C)C/C=C\[C@H](C)[C@@H](C)O 307855983 572654190 /nfs/dbraw/zinc/65/41/90/572654190.db2.gz DGVUYACCKRAKOV-ZBOIFRAGSA-N 0 0 156.269 2.606 10 0 AFAERN CC(C)c1nc2cc(F)c(F)cc2[nH]1 48330430 572654648 /nfs/dbraw/zinc/65/46/48/572654648.db2.gz NXNVEZXWUGUQFL-UHFFFAOYSA-N 0 0 196.200 2.965 10 0 AFAERN CC(C)(C)CCNc1ccon1 74333085 572654750 /nfs/dbraw/zinc/65/47/50/572654750.db2.gz JBDMEGGXWQAMHI-UHFFFAOYSA-N 0 0 168.240 2.523 10 0 AFAERN COC(=N)CSc1ccccc1F 85085130 572655149 /nfs/dbraw/zinc/65/51/49/572655149.db2.gz MOGREFRPXXJFED-UHFFFAOYSA-N 0 0 199.250 2.541 10 0 AFAERN C[C@@H]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 251881046 572655555 /nfs/dbraw/zinc/65/55/55/572655555.db2.gz REYVOSWQMWCECV-YTWAJWBKSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1C/C1=C/c1ccccc1C=O 308086651 572655571 /nfs/dbraw/zinc/65/55/71/572655571.db2.gz XAYWUDZZLJPHHJ-PPLKPFPSSA-N 0 0 172.227 2.922 10 0 AFAERN COC(=N)CSc1ccc(F)cc1 85100632 572655615 /nfs/dbraw/zinc/65/56/15/572655615.db2.gz TWNBJYCYYYGVDY-UHFFFAOYSA-N 0 0 199.250 2.541 10 0 AFAERN C[C@@H]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 251881045 572655710 /nfs/dbraw/zinc/65/57/10/572655710.db2.gz REYVOSWQMWCECV-LMLFDSFASA-N 0 0 168.280 2.584 10 0 AFAERN Cc1cccnc1NC1CCCC1 48329949 572655886 /nfs/dbraw/zinc/65/58/86/572655886.db2.gz AGKADMRFFXIMGI-UHFFFAOYSA-N 0 0 176.263 2.745 10 0 AFAERN Cc1cc(N[C@@H]2C[C@H]2C)c(N)cc1F 235284346 572655891 /nfs/dbraw/zinc/65/58/91/572655891.db2.gz ZPWOMSITMIEEMH-GMSGAONNSA-N 0 0 194.253 2.537 10 0 AFAERN Cc1cc(C)c(/C=C\CO)c(C)c1 214180775 572655897 /nfs/dbraw/zinc/65/58/97/572655897.db2.gz BVUVTKNRNIVRRY-PLNGDYQASA-N 0 0 176.259 2.617 10 0 AFAERN CCCC[C@@H](O)c1cc(C)cc(N)c1 308086450 572655920 /nfs/dbraw/zinc/65/59/20/572655920.db2.gz CBEHFHWKFHRGML-GFCCVEGCSA-N 0 0 193.290 2.801 10 0 AFAERN Cc1cccnc1NCCC(C)C 48329974 572655938 /nfs/dbraw/zinc/65/59/38/572655938.db2.gz OKVLVFKLKMCGEH-UHFFFAOYSA-N 0 0 178.279 2.848 10 0 AFAERN C[C@@H](OCCO)C1=CC(C)(C)CCC1 116064601 572657710 /nfs/dbraw/zinc/65/77/10/572657710.db2.gz KKWUKNHJOSRBRZ-SNVBAGLBSA-N 0 0 198.306 2.520 10 0 AFAERN Oc1cccc2c1-c1cccnc1CC2 117373110 572657529 /nfs/dbraw/zinc/65/75/29/572657529.db2.gz MHRMWFCQRSOVJX-UHFFFAOYSA-N 0 0 197.237 2.553 10 0 AFAERN CC[C@H](CC(C)C)c1nnc(N)s1 308086623 572656135 /nfs/dbraw/zinc/65/61/35/572656135.db2.gz WTTLPBCTXFKKBB-SSDOTTSWSA-N 0 0 199.323 2.660 10 0 AFAERN CC[C@@H](CC(C)C)c1nnc(N)s1 308086624 572657125 /nfs/dbraw/zinc/65/71/25/572657125.db2.gz WTTLPBCTXFKKBB-ZETCQYMHSA-N 0 0 199.323 2.660 10 0 AFAERN COC(=N)CSc1ccc(C)cc1 85101105 572657309 /nfs/dbraw/zinc/65/73/09/572657309.db2.gz ROCAFYYFMCDZNA-UHFFFAOYSA-N 0 0 195.287 2.711 10 0 AFAERN C[C@@H]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 251881044 572657998 /nfs/dbraw/zinc/65/79/98/572657998.db2.gz REYVOSWQMWCECV-DBIOUOCHSA-N 0 0 168.280 2.584 10 0 AFAERN Cc1cnnc(N[C@H](C)C(C)(C)C)c1 235283854 572658097 /nfs/dbraw/zinc/65/80/97/572658097.db2.gz QDMXJBWLTOTPHM-SECBINFHSA-N 0 0 193.294 2.632 10 0 AFAERN CCCC[C@H](O)c1cc(C)cc(N)c1 308086451 572658236 /nfs/dbraw/zinc/65/82/36/572658236.db2.gz CBEHFHWKFHRGML-LBPRGKRZSA-N 0 0 193.290 2.801 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]1(O)c1ccco1 235283379 572658337 /nfs/dbraw/zinc/65/83/37/572658337.db2.gz YZNGCJFAPFQWLG-SKDRFNHKSA-N 0 0 194.274 2.923 10 0 AFAERN C/C=C\CCNC(=O)C(CC)CC 308086733 572658491 /nfs/dbraw/zinc/65/84/91/572658491.db2.gz JHDIQTZXYCUZIV-DAXSKMNVSA-N 0 0 183.295 2.505 10 0 AFAERN Oc1ccc(/C=C\c2ccccn2)cc1 83331062 572658546 /nfs/dbraw/zinc/65/85/46/572658546.db2.gz ZOSLIBAXJLWTFX-DAXSKMNVSA-N 0 0 197.237 2.958 10 0 AFAERN C=CC(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 116107623 572658611 /nfs/dbraw/zinc/65/86/11/572658611.db2.gz BWMHPJRLTUTBGD-ZJUUUORDSA-N 0 0 195.306 2.503 10 0 AFAERN C=CC(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 116107625 572658743 /nfs/dbraw/zinc/65/87/43/572658743.db2.gz BWMHPJRLTUTBGD-UWVGGRQHSA-N 0 0 195.306 2.503 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]12CC(=O)CCO2 235285422 572658787 /nfs/dbraw/zinc/65/87/87/572658787.db2.gz OWKAHQOBKHGSAO-SKDRFNHKSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H](OCCO)C1=CC(C)(C)CCC1 116064603 572658951 /nfs/dbraw/zinc/65/89/51/572658951.db2.gz KKWUKNHJOSRBRZ-JTQLQIEISA-N 0 0 198.306 2.520 10 0 AFAERN CCC(CC)C(=O)C[C@@H]1CCCOC1 689501133 572658955 /nfs/dbraw/zinc/65/89/55/572658955.db2.gz ARGXWLWAZYWIDT-JTQLQIEISA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)[C@@]1(O)CCC[C@H](C)[C@@H]1C 222322842 572658959 /nfs/dbraw/zinc/65/89/59/572658959.db2.gz CUQUXRVDKVFRCR-DCAQKATOSA-N 0 0 170.296 2.830 10 0 AFAERN C=Cc1ccc(O)c2c1CCCC2=O 714119532 572659008 /nfs/dbraw/zinc/65/90/08/572659008.db2.gz ISDDWZMNPYCXAJ-UHFFFAOYSA-N 0 0 188.226 2.554 10 0 AFAERN CC[C@H](CC(C)C)c1cc(N)n(C)n1 308087332 572659581 /nfs/dbraw/zinc/65/95/81/572659581.db2.gz XYSLDKDWILFDSF-SECBINFHSA-N 0 0 195.310 2.542 10 0 AFAERN CCCCCCN(O)c1ccccn1 73168875 572659582 /nfs/dbraw/zinc/65/95/82/572659582.db2.gz UYKKIRZIFDEXAM-UHFFFAOYSA-N 0 0 194.278 2.858 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@H](C)c1ccncc1 251944133 572659262 /nfs/dbraw/zinc/65/92/62/572659262.db2.gz SVCIPIQCGLAFAC-HOSYDEDBSA-N 0 0 193.290 2.592 10 0 AFAERN c1csc(NCCC2CC2)c1 74334994 572659280 /nfs/dbraw/zinc/65/92/80/572659280.db2.gz DWLDADWZOHISPS-UHFFFAOYSA-N 0 0 167.277 2.960 10 0 AFAERN C[C@@H](OCCO)C1=CCCC(C)(C)C1 116064570 572659481 /nfs/dbraw/zinc/65/94/81/572659481.db2.gz HRYHKZBWXKZGJX-SNVBAGLBSA-N 0 0 198.306 2.520 10 0 AFAERN C/C=C\CCNc1cccc(N)c1 308084774 572660149 /nfs/dbraw/zinc/66/01/49/572660149.db2.gz FCKACFSBXMVEMZ-IHWYPQMZSA-N 0 0 176.263 2.647 10 0 AFAERN C=CC(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 116107629 572660633 /nfs/dbraw/zinc/66/06/33/572660633.db2.gz BWMHPJRLTUTBGD-VHSXEESVSA-N 0 0 195.306 2.503 10 0 AFAERN CC[C@H](C/C(C)=C\Cl)[C@H](C)O 307864306 572661336 /nfs/dbraw/zinc/66/13/36/572661336.db2.gz FCRRFHNAZHMFKJ-XFPDIIEBSA-N 0 0 176.687 2.926 10 0 AFAERN C/C=C\CCNC(=O)CCCCC 308084742 572661454 /nfs/dbraw/zinc/66/14/54/572661454.db2.gz DZDMURBDQGTHPJ-XQRVVYSFSA-N 0 0 183.295 2.649 10 0 AFAERN C=CC(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 116107628 572661592 /nfs/dbraw/zinc/66/15/92/572661592.db2.gz BWMHPJRLTUTBGD-NXEZZACHSA-N 0 0 195.306 2.503 10 0 AFAERN COC[C@@H](O)C(C)=C=C(C)C(C)(C)C 238385803 572661935 /nfs/dbraw/zinc/66/19/35/572661935.db2.gz XWDVQNSTKZJUCZ-PLNQYNMKSA-N 0 0 198.306 2.531 10 0 AFAERN O=C1CC=CCCC=CCC1 307863516 572663194 /nfs/dbraw/zinc/66/31/94/572663194.db2.gz OIOVBZGBLSMSDB-UHFFFAOYSA-N 0 0 150.221 2.632 10 0 AFAERN C[C@H](NC(=O)C(C)(C)C)c1ccco1 70224642 572664778 /nfs/dbraw/zinc/66/47/78/572664778.db2.gz RUKYOQBZZHPPKL-QMMMGPOBSA-N 0 0 195.262 2.503 10 0 AFAERN O=Cc1sccc1C1CCC1 74337202 572663467 /nfs/dbraw/zinc/66/34/67/572663467.db2.gz VHUYUNRRGCRNPQ-UHFFFAOYSA-N 0 0 166.245 2.828 10 0 AFAERN COC(=N)CSc1ccccc1C 85111967 572664811 /nfs/dbraw/zinc/66/48/11/572664811.db2.gz XXESYDPOTUPZAA-UHFFFAOYSA-N 0 0 195.287 2.711 10 0 AFAERN Cc1cc(C=O)oc1CC(C)C 74337891 572663797 /nfs/dbraw/zinc/66/37/97/572663797.db2.gz DGOJHSKROUEJHZ-UHFFFAOYSA-N 0 0 166.220 2.599 10 0 AFAERN CC[C@@H](CC(C)C)C1N=NC(=S)N1 308088307 572664114 /nfs/dbraw/zinc/66/41/14/572664114.db2.gz MLEFYXMUJSAYNB-ZETCQYMHSA-N 0 0 199.323 2.633 10 0 AFAERN C[C@@H](N(C)C(=O)C(C)(C)C)C(C)(C)C 70226056 572664131 /nfs/dbraw/zinc/66/41/31/572664131.db2.gz XNLPOIFFZWCRLB-SECBINFHSA-N 0 0 199.338 2.926 10 0 AFAERN CC[C@H](CC(C)C)C1N=NC(=S)N1 308088305 572664181 /nfs/dbraw/zinc/66/41/81/572664181.db2.gz MLEFYXMUJSAYNB-SSDOTTSWSA-N 0 0 199.323 2.633 10 0 AFAERN CC(C)Oc1cccc([C@H](C)CO)c1 116120052 572664183 /nfs/dbraw/zinc/66/41/83/572664183.db2.gz QNWOKKQOGDBPJJ-SNVBAGLBSA-N 0 0 194.274 2.570 10 0 AFAERN CCCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 70223469 572664261 /nfs/dbraw/zinc/66/42/61/572664261.db2.gz OOLPNNPBIUQLSV-VWYCJHECSA-N 0 0 197.322 2.727 10 0 AFAERN CC/C=C(\CC)C(=O)NCCCC 308087816 572664317 /nfs/dbraw/zinc/66/43/17/572664317.db2.gz YJVLFJQYLGFCDJ-CSKARUKUSA-N 0 0 183.295 2.649 10 0 AFAERN CC(=O)/C(C)=C\c1cc(C)[nH]c1C 393328955 572664320 /nfs/dbraw/zinc/66/43/20/572664320.db2.gz UUJLNEWPZZLTLL-ALCCZGGFSA-N 0 0 177.247 2.624 10 0 AFAERN CCC(CC)c1ccoc1C=O 74337882 572664422 /nfs/dbraw/zinc/66/44/22/572664422.db2.gz JEQOCABAEOTOQJ-UHFFFAOYSA-N 0 0 166.220 2.996 10 0 AFAERN CC(=O)N[C@H](c1cccs1)C(C)C 70224679 572664498 /nfs/dbraw/zinc/66/44/98/572664498.db2.gz RBMMAPRLWCHLKC-JTQLQIEISA-N 0 0 197.303 2.581 10 0 AFAERN C/C=C/C[C@H](O)c1cccc(OC)c1 238390558 572668953 /nfs/dbraw/zinc/66/89/53/572668953.db2.gz AJOXEFJFRWWXBZ-PCAWENJQSA-N 0 0 192.258 2.695 10 0 AFAERN CC(C)Oc1cccc([C@@H](C)CO)c1 116120049 572664740 /nfs/dbraw/zinc/66/47/40/572664740.db2.gz QNWOKKQOGDBPJJ-JTQLQIEISA-N 0 0 194.274 2.570 10 0 AFAERN CC1=C[C@H](C)C[C@@H]([C@@H](O)C(F)F)C1 235291755 572664997 /nfs/dbraw/zinc/66/49/97/572664997.db2.gz QWXJSPYUPLBELV-NBEYISGCSA-N 0 0 190.233 2.605 10 0 AFAERN CCOC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 70223459 572665169 /nfs/dbraw/zinc/66/51/69/572665169.db2.gz LLEJLQAYMFMVKY-KXUCPTDWSA-N 0 0 199.294 2.557 10 0 AFAERN CCc1oc(C=O)cc1C(C)C 74337884 572665258 /nfs/dbraw/zinc/66/52/58/572665258.db2.gz WBGLUJKDJNENIL-UHFFFAOYSA-N 0 0 166.220 2.778 10 0 AFAERN CC(=O)N[C@@H](c1cccs1)C(C)C 70224681 572665360 /nfs/dbraw/zinc/66/53/60/572665360.db2.gz RBMMAPRLWCHLKC-SNVBAGLBSA-N 0 0 197.303 2.581 10 0 AFAERN C/C=C\CCNC(=O)[C@H](C)CCC 308087515 572671902 /nfs/dbraw/zinc/67/19/02/572671902.db2.gz KUKJUIRIFHUYGK-AYYIZTPMSA-N 0 0 183.295 2.505 10 0 AFAERN CCOC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 70223455 572665802 /nfs/dbraw/zinc/66/58/02/572665802.db2.gz LLEJLQAYMFMVKY-LPEHRKFASA-N 0 0 199.294 2.557 10 0 AFAERN C[C@@H](c1cccnc1)c1ccccc1O 238385923 572666094 /nfs/dbraw/zinc/66/60/94/572666094.db2.gz RGLWCQOAWBJXRY-JTQLQIEISA-N 0 0 199.253 2.939 10 0 AFAERN CCC(CC)c1ccc(C=O)o1 74337878 572666419 /nfs/dbraw/zinc/66/64/19/572666419.db2.gz AEFSRLUSZCPPNO-UHFFFAOYSA-N 0 0 166.220 2.996 10 0 AFAERN Cc1oc(C=O)cc1CC(C)C 74337887 572666522 /nfs/dbraw/zinc/66/65/22/572666522.db2.gz STLVGIFNOUIUKO-UHFFFAOYSA-N 0 0 166.220 2.599 10 0 AFAERN Cc1ccccc1OCC(F)(F)F 70234294 572666693 /nfs/dbraw/zinc/66/66/93/572666693.db2.gz OPKLAMIUSSQFQY-UHFFFAOYSA-N 0 0 190.164 2.936 10 0 AFAERN CCC(=O)[C@H](C)SC(C)(C)C 70234843 572667099 /nfs/dbraw/zinc/66/70/99/572667099.db2.gz XVXBWQFVALDKAF-ZETCQYMHSA-N 0 0 174.309 2.886 10 0 AFAERN COC[C@H]1c2ccccc2-n2cccc21 238390103 572667592 /nfs/dbraw/zinc/66/75/92/572667592.db2.gz JCLGYXTXFVURAY-NSHDSACASA-N 0 0 199.253 2.569 10 0 AFAERN C[C@@H](O)c1ccc2cccc3c2c1CC3 238388956 572667682 /nfs/dbraw/zinc/66/76/82/572667682.db2.gz JMMYXBGUFXFIFW-SECBINFHSA-N 0 0 198.265 2.992 10 0 AFAERN C[C@@H](C[C@@H](C)O)Sc1ccccc1 238398620 572667869 /nfs/dbraw/zinc/66/78/69/572667869.db2.gz CAIYKYZNFUQGBU-ZJUUUORDSA-N 0 0 196.315 2.938 10 0 AFAERN C/C=C/COc1ccccc1F 70234446 572667988 /nfs/dbraw/zinc/66/79/88/572667988.db2.gz SZIXQBZSRXQYBC-NSCUHMNNSA-N 0 0 166.195 2.781 10 0 AFAERN Fc1ccc(OCc2ccco2)cc1 70234527 572668384 /nfs/dbraw/zinc/66/83/84/572668384.db2.gz CADUDWKVHAKJJI-UHFFFAOYSA-N 0 0 192.189 2.998 10 0 AFAERN C/C=C/COc1cccc(C)c1 70234498 572668866 /nfs/dbraw/zinc/66/88/66/572668866.db2.gz FQUMWNXVIOMJAF-ONEGZZNKSA-N 0 0 162.232 2.950 10 0 AFAERN CCC(=O)[C@@H](C)SC(C)(C)C 70234841 572669085 /nfs/dbraw/zinc/66/90/85/572669085.db2.gz XVXBWQFVALDKAF-SSDOTTSWSA-N 0 0 174.309 2.886 10 0 AFAERN COc1ccc2c(c1)-c1[nH]ccc1CC2 238398673 572669097 /nfs/dbraw/zinc/66/90/97/572669097.db2.gz LHJCSTBIVOSVKE-UHFFFAOYSA-N 0 0 199.253 2.789 10 0 AFAERN COC[C@](C)(OC)[C@@H]1CC=C(C)CC1 238390889 572669106 /nfs/dbraw/zinc/66/91/06/572669106.db2.gz KETPQGGHUAMUON-NEPJUHHUSA-N 0 0 198.306 2.784 10 0 AFAERN COC[C@](C)(OC)[C@H]1CC=C(C)CC1 238390872 572669215 /nfs/dbraw/zinc/66/92/15/572669215.db2.gz KETPQGGHUAMUON-RYUDHWBXSA-N 0 0 198.306 2.784 10 0 AFAERN CS[C@H](/C=C/[C@H](C)O)C(C)(C)C 238391800 572669724 /nfs/dbraw/zinc/66/97/24/572669724.db2.gz XMOUWAQGAHVVCM-PUCWJLDJSA-N 0 0 188.336 2.701 10 0 AFAERN C/C=C/COc1ccc(F)cc1 70234531 572669749 /nfs/dbraw/zinc/66/97/49/572669749.db2.gz GUBCFQNGHNSWEK-NSCUHMNNSA-N 0 0 166.195 2.781 10 0 AFAERN Fc1ccccc1OCc1ccco1 70234445 572669845 /nfs/dbraw/zinc/66/98/45/572669845.db2.gz DZSZPUSJNSRBFO-UHFFFAOYSA-N 0 0 192.189 2.998 10 0 AFAERN C/C=C\C(=O)[C@@H]1CCC[C@H](C)C1 393348543 572669854 /nfs/dbraw/zinc/66/98/54/572669854.db2.gz NQQPRKQXKGVSIJ-NFXDQBBPSA-N 0 0 166.264 2.958 10 0 AFAERN C[C@@H](O)c1ccccc1-c1cccnc1 238392014 572669881 /nfs/dbraw/zinc/66/98/81/572669881.db2.gz BVXHRBXJJAEWOR-SNVBAGLBSA-N 0 0 199.253 2.802 10 0 AFAERN C/C=C\C(=O)[C@@H]1CCC[C@@H](C)C1 393348544 572670004 /nfs/dbraw/zinc/67/00/04/572670004.db2.gz NQQPRKQXKGVSIJ-QBNQYXCASA-N 0 0 166.264 2.958 10 0 AFAERN Cc1cc(Cl)ccc1[C@]1(O)C[C@H]1C 235295485 572670728 /nfs/dbraw/zinc/67/07/28/572670728.db2.gz RGZVJYXGTQFATF-KCJUWKMLSA-N 0 0 196.677 2.876 10 0 AFAERN C[C@@H]1C[C@@]1(O)C1(C)CCCCC1 235294553 572670877 /nfs/dbraw/zinc/67/08/77/572670877.db2.gz XGLPIXNALICSHA-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cccc(C)c1[C@]1(O)C[C@H]1C 235294851 572670986 /nfs/dbraw/zinc/67/09/86/572670986.db2.gz DJCFIFJBELCKRZ-PWSUYJOCSA-N 0 0 176.259 2.531 10 0 AFAERN Cc1ccc(C)n1C[C@@H]1CCO[C@H]1C 235294741 572671044 /nfs/dbraw/zinc/67/10/44/572671044.db2.gz GYACBZZIBWFLGP-RYUDHWBXSA-N 0 0 193.290 2.530 10 0 AFAERN Cc1ccc([C@]2(O)C[C@H]2C)c(Cl)c1 235295337 572671178 /nfs/dbraw/zinc/67/11/78/572671178.db2.gz RJYVBUOBRPKSHV-KCJUWKMLSA-N 0 0 196.677 2.876 10 0 AFAERN C=C/C(=C/Cl)SC 238398565 572671266 /nfs/dbraw/zinc/67/12/66/572671266.db2.gz BWGJVALKHIQQCG-PLNGDYQASA-N 0 0 134.631 2.616 10 0 AFAERN CC1=C[C@@H](C)c2ccc3nccn3c2N1 238398485 572672729 /nfs/dbraw/zinc/67/27/29/572672729.db2.gz OIODITCSAPHFMO-MRVPVSSYSA-N 0 0 199.257 2.767 10 0 AFAERN C/C=C\CCNC(=O)[C@@H](C)CCC 308087516 572673341 /nfs/dbraw/zinc/67/33/41/572673341.db2.gz KUKJUIRIFHUYGK-OAQKJQOQSA-N 0 0 183.295 2.505 10 0 AFAERN CC/C=C\C(=O)Oc1ccccc1 117400766 572673624 /nfs/dbraw/zinc/67/36/24/572673624.db2.gz BHCFBDCHBYEIGM-OQFOIZHKSA-N 0 0 176.215 2.558 10 0 AFAERN CCCCCC[C@]1(C)CC(=O)N[C@H]1C 85135349 572673681 /nfs/dbraw/zinc/67/36/81/572673681.db2.gz KPVCNLUYIXDNDT-CMPLNLGQSA-N 0 0 197.322 2.872 10 0 AFAERN CCC1(CC)CC(=O)N[C@@H]1CC(C)C 85137287 572673814 /nfs/dbraw/zinc/67/38/14/572673814.db2.gz NGLBSJBRNBZVNV-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC1(CCC)CC(=O)N[C@H]1CC 85136756 572674592 /nfs/dbraw/zinc/67/45/92/572674592.db2.gz DVNQOKCQKDQORO-JTQLQIEISA-N 0 0 197.322 2.872 10 0 AFAERN CCCC1(CCC)CC(=O)NC1(C)C 85136106 572674718 /nfs/dbraw/zinc/67/47/18/572674718.db2.gz MMJCIWUOBXGBDP-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@@H]1NC(=O)C[C@@]1(C)CCC(C)C 85136944 572674755 /nfs/dbraw/zinc/67/47/55/572674755.db2.gz SZLXYUAQGJIMQA-CMPLNLGQSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@@H]1CC(=O)N[C@@H]1CC(C)C 85137277 572674771 /nfs/dbraw/zinc/67/47/71/572674771.db2.gz UCWCAJUWAQKYHV-GHMZBOCLSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)C[C@]1(CC)CC(=O)N[C@@H]1C 85135430 572674842 /nfs/dbraw/zinc/67/48/42/572674842.db2.gz ADWPPOLOQAZIEM-HOSYDEDBSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC[C@@]1(CC)CC(=O)N[C@H]1CC 85137172 572674897 /nfs/dbraw/zinc/67/48/97/572674897.db2.gz SRWBBGRHWBLRKY-JQWIXIFHSA-N 0 0 197.322 2.872 10 0 AFAERN CCCCCC[C@@]1(C)CC(=O)N[C@@H]1C 85135347 572675011 /nfs/dbraw/zinc/67/50/11/572675011.db2.gz KPVCNLUYIXDNDT-PWSUYJOCSA-N 0 0 197.322 2.872 10 0 AFAERN CCCC1(CCC)CC(=O)N[C@@H]1CC 85136755 572675112 /nfs/dbraw/zinc/67/51/12/572675112.db2.gz DVNQOKCQKDQORO-SNVBAGLBSA-N 0 0 197.322 2.872 10 0 AFAERN CCC[C@@]1(C)CC(=O)N[C@H]1CC(C)C 85137206 572675186 /nfs/dbraw/zinc/67/51/86/572675186.db2.gz SKRHJZMAMOHSFB-JQWIXIFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@@H]1NC(=O)C[C@H]1CC(C)C 85137279 572675202 /nfs/dbraw/zinc/67/52/02/572675202.db2.gz UCWCAJUWAQKYHV-MNOVXSKESA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)C[C@H]1CC(=O)N[C@H]1CC(C)C 85137280 572675287 /nfs/dbraw/zinc/67/52/87/572675287.db2.gz UCWCAJUWAQKYHV-QWRGUYRKSA-N 0 0 197.322 2.583 10 0 AFAERN CCCC[C@@]1(CC)CC(=O)N[C@@H]1CC 85137170 572675341 /nfs/dbraw/zinc/67/53/41/572675341.db2.gz SRWBBGRHWBLRKY-PWSUYJOCSA-N 0 0 197.322 2.872 10 0 AFAERN CCCCCC[C@]1(C)CC(=O)N[C@@H]1C 85135345 572675552 /nfs/dbraw/zinc/67/55/52/572675552.db2.gz KPVCNLUYIXDNDT-ZYHUDNBSSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@H](C)[C@H]1CC(=O)N[C@@H]1CC(C)C 85137356 572675626 /nfs/dbraw/zinc/67/56/26/572675626.db2.gz YGZDSUHEMOQKLP-HBNTYKKESA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H]1NC(=O)C[C@]1(C)CCC(C)C 85136942 572675630 /nfs/dbraw/zinc/67/56/30/572675630.db2.gz SZLXYUAQGJIMQA-JQWIXIFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)C[C@@]1(CC)CC(=O)N[C@@H]1C 85135434 572675661 /nfs/dbraw/zinc/67/56/61/572675661.db2.gz ADWPPOLOQAZIEM-UMNHJUIQSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@]1(C)CC(=O)N[C@H]1CC(C)C 85137205 572675726 /nfs/dbraw/zinc/67/57/26/572675726.db2.gz SKRHJZMAMOHSFB-CMPLNLGQSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@@H](C[C@H]1CNC(=O)C1)CC(C)(C)C 238399361 572675744 /nfs/dbraw/zinc/67/57/44/572675744.db2.gz KISKSIJSDDUSQL-VHSXEESVSA-N 0 0 197.322 2.585 10 0 AFAERN CS/C=C/CCC/C=C(/C)CO 238399948 572675856 /nfs/dbraw/zinc/67/58/56/572675856.db2.gz VTKKOPINNRNRJQ-ZPNWEIAESA-N 0 0 186.320 2.972 10 0 AFAERN CCC1(CC)CC(=O)N[C@H]1CC(C)C 85137288 572675858 /nfs/dbraw/zinc/67/58/58/572675858.db2.gz NGLBSJBRNBZVNV-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@@]1(C)CC(=O)N[C@@H]1CC(C)C 85137204 572676235 /nfs/dbraw/zinc/67/62/35/572676235.db2.gz SKRHJZMAMOHSFB-PWSUYJOCSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)C[C@](O)(CC)C(F)F 87687695 572676032 /nfs/dbraw/zinc/67/60/32/572676032.db2.gz XIIQFAGIQZATPW-IONNQARKSA-N 0 0 180.238 2.829 10 0 AFAERN CC(C)C[C@H]1CC(=O)N[C@@H]1CC(C)C 85137278 572676144 /nfs/dbraw/zinc/67/61/44/572676144.db2.gz UCWCAJUWAQKYHV-WDEREUQCSA-N 0 0 197.322 2.583 10 0 AFAERN CCCC[C@H](O)[C@H](C)/C=C\Cl 307865064 572676145 /nfs/dbraw/zinc/67/61/45/572676145.db2.gz PCBWLNWDBXEYLT-WVXMWNJGSA-N 0 0 176.687 2.926 10 0 AFAERN CCCC[C@@]1(CC)CC(=O)NC1(C)C 85136586 572676161 /nfs/dbraw/zinc/67/61/61/572676161.db2.gz FGRSPQRXCGBZBT-LBPRGKRZSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@@H](C)OC(=O)/C=C\C(C)C 117405738 572676194 /nfs/dbraw/zinc/67/61/94/572676194.db2.gz JDHTUHLKAZTIAL-ATJFRQLMSA-N 0 0 170.252 2.540 10 0 AFAERN CC[C@H](C)CC(=O)[C@@H]1CCCS1 87701160 572676290 /nfs/dbraw/zinc/67/62/90/572676290.db2.gz CJZJUZAVSVBRHS-WPRPVWTQSA-N 0 0 186.320 2.887 10 0 AFAERN CCCC[C@]1(CC)CC(=O)N[C@@H]1CC 85137169 572676880 /nfs/dbraw/zinc/67/68/80/572676880.db2.gz SRWBBGRHWBLRKY-ZYHUDNBSSA-N 0 0 197.322 2.872 10 0 AFAERN COc1ccc2c(c1)-c1cc(C)[nH]c1C2 238400099 572676891 /nfs/dbraw/zinc/67/68/91/572676891.db2.gz PBFNFXSZNPBSIU-UHFFFAOYSA-N 0 0 199.253 2.903 10 0 AFAERN CC(C)/C=C\C(=O)OC(C)(C)C 117406969 572677017 /nfs/dbraw/zinc/67/70/17/572677017.db2.gz IWKSGRQWQFCGEM-SREVYHEPSA-N 0 0 170.252 2.540 10 0 AFAERN CC[C@H](C)OC(=O)/C=C/C(C)C 117405744 572677048 /nfs/dbraw/zinc/67/70/48/572677048.db2.gz JDHTUHLKAZTIAL-UCUJLANTSA-N 0 0 170.252 2.540 10 0 AFAERN CCCCCC[C@@]1(C)CC(=O)N[C@H]1C 85135352 572677082 /nfs/dbraw/zinc/67/70/82/572677082.db2.gz KPVCNLUYIXDNDT-JQWIXIFHSA-N 0 0 197.322 2.872 10 0 AFAERN CCCC[C@]1(CC)CC(=O)NC1(C)C 85136585 572677165 /nfs/dbraw/zinc/67/71/65/572677165.db2.gz FGRSPQRXCGBZBT-GFCCVEGCSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@H](C)[C@@H]1CC(=O)N[C@@H]1CC(C)C 85137354 572677212 /nfs/dbraw/zinc/67/72/12/572677212.db2.gz YGZDSUHEMOQKLP-GARJFASQSA-N 0 0 197.322 2.583 10 0 AFAERN CCN[C@@H](c1ccc(C)cc1)C(F)F 87687377 572677217 /nfs/dbraw/zinc/67/72/17/572677217.db2.gz SQSCSHHXXJGACK-JTQLQIEISA-N 0 0 199.244 2.911 10 0 AFAERN CCC[C@](N)(c1ccccc1)C(F)F 87688181 572677233 /nfs/dbraw/zinc/67/72/33/572677233.db2.gz ULSUVFMKKKCNPU-NSHDSACASA-N 0 0 199.244 2.906 10 0 AFAERN CC[C@@H](C)OC(=O)/C=C/C(C)C 117405740 572677299 /nfs/dbraw/zinc/67/72/99/572677299.db2.gz JDHTUHLKAZTIAL-XCODYQFDSA-N 0 0 170.252 2.540 10 0 AFAERN CC[C@H](C)C[C@@](O)(CC)C(F)F 87687693 572677351 /nfs/dbraw/zinc/67/73/51/572677351.db2.gz XIIQFAGIQZATPW-CBAPKCEASA-N 0 0 180.238 2.829 10 0 AFAERN CC(C)OC(=O)/C=C/C(C)(C)C 117423217 572677383 /nfs/dbraw/zinc/67/73/83/572677383.db2.gz XATUAWQQZVAIQV-VOTSOKGWSA-N 0 0 170.252 2.540 10 0 AFAERN CCN[C@H](c1cccc(C)c1)C(F)F 87687432 572677416 /nfs/dbraw/zinc/67/74/16/572677416.db2.gz XKOIAGUCELLVHF-SNVBAGLBSA-N 0 0 199.244 2.911 10 0 AFAERN CC[C@@H](C)CC(=O)[C@H]1CCCS1 87701162 572677699 /nfs/dbraw/zinc/67/76/99/572677699.db2.gz CJZJUZAVSVBRHS-PSASIEDQSA-N 0 0 186.320 2.887 10 0 AFAERN CCN[C@H](c1ccc(C)cc1)C(F)F 87687378 572678054 /nfs/dbraw/zinc/67/80/54/572678054.db2.gz SQSCSHHXXJGACK-SNVBAGLBSA-N 0 0 199.244 2.911 10 0 AFAERN O=C(CCC1CC1)[C@@H]1CCCS1 87701301 572677568 /nfs/dbraw/zinc/67/75/68/572677568.db2.gz RXUYMZGXUZYLIL-JTQLQIEISA-N 0 0 184.304 2.641 10 0 AFAERN CC/C=C\[C@H](C)[C@H](C)CCO 307869032 572677681 /nfs/dbraw/zinc/67/76/81/572677681.db2.gz IJNWCLUMJKGVMI-NRAIBSHISA-N 0 0 156.269 2.607 10 0 AFAERN CC/C=C\[C@H](C)[C@@H](C)CCO 307869035 572677687 /nfs/dbraw/zinc/67/76/87/572677687.db2.gz IJNWCLUMJKGVMI-QEJZFVATSA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)(C)/C=C\C(=O)OC(C)(C)C 117410653 572677713 /nfs/dbraw/zinc/67/77/13/572677713.db2.gz CLNCSSIGNCCOLM-FPLPWBNLSA-N 0 0 184.279 2.930 10 0 AFAERN CCCCCC[C@@](C)(O)C(F)F 87687674 572678070 /nfs/dbraw/zinc/67/80/70/572678070.db2.gz HHQLTCIUFOLLRI-SECBINFHSA-N 0 0 180.238 2.973 10 0 AFAERN CC[C@H](C)CC(=O)[C@H]1CCCS1 87701164 572677970 /nfs/dbraw/zinc/67/79/70/572677970.db2.gz CJZJUZAVSVBRHS-WCBMZHEXSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)=C[C@@H](C)C/C(C)=C/CO 238405972 572677976 /nfs/dbraw/zinc/67/79/76/572677976.db2.gz PUPJIMVAEIMCLL-IGLBNKAOSA-N 0 0 168.280 2.917 10 0 AFAERN CCCC[C@](O)(CC)C(F)F 87687881 572678374 /nfs/dbraw/zinc/67/83/74/572678374.db2.gz UBVXJSWEHOGBLB-MRVPVSSYSA-N 0 0 166.211 2.583 10 0 AFAERN CC/C=C/[C@H](C)[C@H](C)CCO 307869030 572678428 /nfs/dbraw/zinc/67/84/28/572678428.db2.gz IJNWCLUMJKGVMI-FQNVXPIYSA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)Sc1cc(Cl)ncn1 48631369 572678520 /nfs/dbraw/zinc/67/85/20/572678520.db2.gz VZNHSLOEYLTGMF-UHFFFAOYSA-N 0 0 188.683 2.631 10 0 AFAERN Fc1ccccc1OCOCC1CC1 236148989 572678525 /nfs/dbraw/zinc/67/85/25/572678525.db2.gz ZWLDPJHVWTXRMD-UHFFFAOYSA-N 0 0 196.221 2.589 10 0 AFAERN O=C1CC=CCCCC=CC1 307865895 572678810 /nfs/dbraw/zinc/67/88/10/572678810.db2.gz RMXWGLGZXSQUTI-UHFFFAOYSA-N 0 0 150.221 2.632 10 0 AFAERN CCCC[C@@](O)(CC)C(F)F 87687880 572679266 /nfs/dbraw/zinc/67/92/66/572679266.db2.gz UBVXJSWEHOGBLB-QMMMGPOBSA-N 0 0 166.211 2.583 10 0 AFAERN CC[C@@H](C)C[C@@](O)(CC)C(F)F 87687692 572679303 /nfs/dbraw/zinc/67/93/03/572679303.db2.gz XIIQFAGIQZATPW-APPZFPTMSA-N 0 0 180.238 2.829 10 0 AFAERN CCC[NH2+]C(CC)(CC)C(F)F 87689298 572681946 /nfs/dbraw/zinc/68/19/46/572681946.db2.gz IOLUOOANOHEQQO-UHFFFAOYSA-N 0 0 179.254 2.810 10 0 AFAERN CCCCC[C@@](C)(O)C(F)F 87687291 572679445 /nfs/dbraw/zinc/67/94/45/572679445.db2.gz YTEARRGJOUOGBR-MRVPVSSYSA-N 0 0 166.211 2.583 10 0 AFAERN CC/C=C/[C@H](C)[C@@H](C)CCO 307869033 572679753 /nfs/dbraw/zinc/67/97/53/572679753.db2.gz IJNWCLUMJKGVMI-QEBMPYFUSA-N 0 0 156.269 2.607 10 0 AFAERN CC[C@](NC)(c1ccccc1)C(F)F 87688749 572679842 /nfs/dbraw/zinc/67/98/42/572679842.db2.gz ISEXDBUPDODHJD-NSHDSACASA-N 0 0 199.244 2.776 10 0 AFAERN CN[C@@H](C(F)F)[C@H](C)c1ccccc1 87688442 572679923 /nfs/dbraw/zinc/67/99/23/572679923.db2.gz SGCSBEIKVCHLAJ-PSASIEDQSA-N 0 0 199.244 2.643 10 0 AFAERN CC(C)[C@@H](C)Nc1cc(Cl)ncn1 48631093 572679929 /nfs/dbraw/zinc/67/99/29/572679929.db2.gz JIAAULQCIMTHGS-SSDOTTSWSA-N 0 0 199.685 2.586 10 0 AFAERN c1ccc(OCCc2cccnc2)cc1 85149513 572682778 /nfs/dbraw/zinc/68/27/78/572682778.db2.gz LDAVUGMSAGIOTG-UHFFFAOYSA-N 0 0 199.253 2.703 10 0 AFAERN CCC[NH2+][C@](C)(C(C)C)C(F)F 87689300 572680069 /nfs/dbraw/zinc/68/00/69/572680069.db2.gz WYXPFLKKTIPDQF-SECBINFHSA-N 0 0 179.254 2.666 10 0 AFAERN CCC[NH2+][C@@]1(C(F)F)CC[C@@H](C)C1 87689281 572680085 /nfs/dbraw/zinc/68/00/85/572680085.db2.gz XLCDWJOZWQDXLQ-SCZZXKLOSA-N 0 0 191.265 2.810 10 0 AFAERN CCC[NH2+]C1(C(F)F)CCCC1 87689338 572680096 /nfs/dbraw/zinc/68/00/96/572680096.db2.gz KDFOZPWWXKJVNN-UHFFFAOYSA-N 0 0 177.238 2.564 10 0 AFAERN CCC[NH2+][C@](C)(CCC)C(F)F 87689422 572680186 /nfs/dbraw/zinc/68/01/86/572680186.db2.gz XHIZMKDNNSFTRX-SECBINFHSA-N 0 0 179.254 2.810 10 0 AFAERN CCC[NH2+][C@@]1(C(F)F)CCC[C@@H]1C 87689418 572680211 /nfs/dbraw/zinc/68/02/11/572680211.db2.gz XSXRHSPVMBZYMA-WPRPVWTQSA-N 0 0 191.265 2.810 10 0 AFAERN CCCCCC[C@H](NC)C(F)F 87688652 572680309 /nfs/dbraw/zinc/68/03/09/572680309.db2.gz XJQSXVHDXHRGQA-QMMMGPOBSA-N 0 0 179.254 2.810 10 0 AFAERN O=C(CCC1CC1)C(F)(F)C(F)F 236148258 572680363 /nfs/dbraw/zinc/68/03/63/572680363.db2.gz NTJLZSUDUMFGCG-UHFFFAOYSA-N 0 0 198.159 2.646 10 0 AFAERN CCC[NH2+][C@]1(C(F)F)CCC[C@@H]1C 87689417 572680366 /nfs/dbraw/zinc/68/03/66/572680366.db2.gz XSXRHSPVMBZYMA-WCBMZHEXSA-N 0 0 191.265 2.810 10 0 AFAERN CCC[NH2+][C@@](C)(C(F)F)C1(C)CC1 87689303 572680401 /nfs/dbraw/zinc/68/04/01/572680401.db2.gz UDGVIAWISZHZQS-JTQLQIEISA-N 0 0 191.265 2.810 10 0 AFAERN CCOCC(=O)C1CCCCCCC1 87689994 572680425 /nfs/dbraw/zinc/68/04/25/572680425.db2.gz RMGAKXGJTPCQDZ-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CCC[C@@H](C)CSC[C@H](C)CO 85139447 572680538 /nfs/dbraw/zinc/68/05/38/572680538.db2.gz GEWYMVWJXJKCCD-NXEZZACHSA-N 0 0 190.352 2.784 10 0 AFAERN CCC[NH2+][C@@](C)(C(C)C)C(F)F 87689299 572680912 /nfs/dbraw/zinc/68/09/12/572680912.db2.gz WYXPFLKKTIPDQF-VIFPVBQESA-N 0 0 179.254 2.666 10 0 AFAERN CCC[C@@H](C)CSC[C@@H](C)CO 85139445 572680962 /nfs/dbraw/zinc/68/09/62/572680962.db2.gz GEWYMVWJXJKCCD-ZJUUUORDSA-N 0 0 190.352 2.784 10 0 AFAERN CN[C@H](C(F)F)[C@@H](C)c1ccccc1 87688439 572681014 /nfs/dbraw/zinc/68/10/14/572681014.db2.gz SGCSBEIKVCHLAJ-WPRPVWTQSA-N 0 0 199.244 2.643 10 0 AFAERN CCCCCC[C@@H](NC)C(F)F 87688653 572681200 /nfs/dbraw/zinc/68/12/00/572681200.db2.gz XJQSXVHDXHRGQA-MRVPVSSYSA-N 0 0 179.254 2.810 10 0 AFAERN CCC[NH2+][C@]1(C(F)F)CC[C@H](C)C1 87689278 572681222 /nfs/dbraw/zinc/68/12/22/572681222.db2.gz XLCDWJOZWQDXLQ-WCBMZHEXSA-N 0 0 191.265 2.810 10 0 AFAERN OC1(c2cc3c(s2)CCCC3)CC1 54346627 572681390 /nfs/dbraw/zinc/68/13/90/572681390.db2.gz MKOXJXYWSYWFRK-UHFFFAOYSA-N 0 0 194.299 2.608 10 0 AFAERN CC(C)c1ccc(C2(O)CC2)cc1 54346644 572681402 /nfs/dbraw/zinc/68/14/02/572681402.db2.gz BCXUSACAMAITQZ-UHFFFAOYSA-N 0 0 176.259 2.791 10 0 AFAERN CCCOC(=O)/C=C/C(C)(C)C 117428685 572681441 /nfs/dbraw/zinc/68/14/41/572681441.db2.gz RKHWXKMQTVYNAU-VOTSOKGWSA-N 0 0 170.252 2.542 10 0 AFAERN CCC[NH2+][C@]1(C(F)F)CCC[C@H]1C 87689419 572681533 /nfs/dbraw/zinc/68/15/33/572681533.db2.gz XSXRHSPVMBZYMA-PSASIEDQSA-N 0 0 191.265 2.810 10 0 AFAERN C/C(=C/Cl)CCC(=O)C1CC1 307867736 572681567 /nfs/dbraw/zinc/68/15/67/572681567.db2.gz HDNDVAFIQINLCS-SREVYHEPSA-N 0 0 172.655 2.888 10 0 AFAERN CCCOC(=O)/C=C\C(C)(C)C 117428682 572681582 /nfs/dbraw/zinc/68/15/82/572681582.db2.gz RKHWXKMQTVYNAU-SREVYHEPSA-N 0 0 170.252 2.542 10 0 AFAERN CCC[C@H](C)CS[C@@H](C)CCO 85146589 572681590 /nfs/dbraw/zinc/68/15/90/572681590.db2.gz ZOFFOADPXPOPAN-UWVGGRQHSA-N 0 0 190.352 2.927 10 0 AFAERN CN[C@@H](C(F)F)[C@@H](C)c1ccccc1 87688441 572681609 /nfs/dbraw/zinc/68/16/09/572681609.db2.gz SGCSBEIKVCHLAJ-WCBMZHEXSA-N 0 0 199.244 2.643 10 0 AFAERN CCc1ccccc1[C@H](NC)C(F)F 87688555 572681703 /nfs/dbraw/zinc/68/17/03/572681703.db2.gz GUOBWEAYGNLSKM-JTQLQIEISA-N 0 0 199.244 2.775 10 0 AFAERN CC[C@@](NC)(c1ccccc1)C(F)F 87688748 572681767 /nfs/dbraw/zinc/68/17/67/572681767.db2.gz ISEXDBUPDODHJD-LLVKDONJSA-N 0 0 199.244 2.776 10 0 AFAERN CCc1ccccc1[C@@H](NC)C(F)F 87688556 572681993 /nfs/dbraw/zinc/68/19/93/572681993.db2.gz GUOBWEAYGNLSKM-SNVBAGLBSA-N 0 0 199.244 2.775 10 0 AFAERN CN[C@H](C(F)F)[C@H](C)c1ccccc1 87688440 572682200 /nfs/dbraw/zinc/68/22/00/572682200.db2.gz SGCSBEIKVCHLAJ-SCZZXKLOSA-N 0 0 199.244 2.643 10 0 AFAERN CCC[NH2+][C@@](C)(CCC)C(F)F 87689421 572682316 /nfs/dbraw/zinc/68/23/16/572682316.db2.gz XHIZMKDNNSFTRX-VIFPVBQESA-N 0 0 179.254 2.810 10 0 AFAERN CCC[C@@H]1CN(C)c2ccccc2N1 76930470 572682422 /nfs/dbraw/zinc/68/24/22/572682422.db2.gz IOMZUPLCEFCLEX-SNVBAGLBSA-N 0 0 190.290 2.717 10 0 AFAERN CCN[C@@](C)(c1ccccc1)C(F)F 87689100 572682610 /nfs/dbraw/zinc/68/26/10/572682610.db2.gz WLQXWMOUQPGBDA-NSHDSACASA-N 0 0 199.244 2.776 10 0 AFAERN CCN[C@](C)(c1ccccc1)C(F)F 87689101 572682737 /nfs/dbraw/zinc/68/27/37/572682737.db2.gz WLQXWMOUQPGBDA-LLVKDONJSA-N 0 0 199.244 2.776 10 0 AFAERN CCC[NH2+][C@]1(C(F)F)CC[C@@H](C)C1 87689280 572683184 /nfs/dbraw/zinc/68/31/84/572683184.db2.gz XLCDWJOZWQDXLQ-PSASIEDQSA-N 0 0 191.265 2.810 10 0 AFAERN CCC[C@H](C)CS[C@H](C)CCO 85146595 572683740 /nfs/dbraw/zinc/68/37/40/572683740.db2.gz ZOFFOADPXPOPAN-VHSXEESVSA-N 0 0 190.352 2.927 10 0 AFAERN CC(C)(C)c1ccc(C2(O)CC2)cc1 54346786 572683322 /nfs/dbraw/zinc/68/33/22/572683322.db2.gz BAIUZSIZTLUUJM-UHFFFAOYSA-N 0 0 190.286 2.966 10 0 AFAERN CCCCOC(=O)/C=C\C(C)(C)C 117426348 572683401 /nfs/dbraw/zinc/68/34/01/572683401.db2.gz APHYOIIHHAYPAU-FPLPWBNLSA-N 0 0 184.279 2.932 10 0 AFAERN c1ccc(OCCc2ccncc2)cc1 85149571 572683627 /nfs/dbraw/zinc/68/36/27/572683627.db2.gz YMEBBYMRVTVITA-UHFFFAOYSA-N 0 0 199.253 2.703 10 0 AFAERN Cc1ccc2oc(N)c(C)c2c1 77069352 572683848 /nfs/dbraw/zinc/68/38/48/572683848.db2.gz YFCJHPPRKBPGQT-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN C[C@H](O[C@H](C)[C@@H](C)O)c1ccccc1 238407527 572683865 /nfs/dbraw/zinc/68/38/65/572683865.db2.gz JWPVVKJPTHYVDN-MXWKQRLJSA-N 0 0 194.274 2.534 10 0 AFAERN CCc1c(CO)oc2ccc(C)cc12 77069353 572683962 /nfs/dbraw/zinc/68/39/62/572683962.db2.gz VYUSUBSNLMXLLN-UHFFFAOYSA-N 0 0 190.242 2.796 10 0 AFAERN CC[C@@H](C)[C@H](O)[C@@H]1CCCCS1 87704555 572684194 /nfs/dbraw/zinc/68/41/94/572684194.db2.gz DHMAZPFOEWFUCJ-UTLUCORTSA-N 0 0 188.336 2.679 10 0 AFAERN CCc1c(N)oc2ccc(C)cc12 77069423 572684306 /nfs/dbraw/zinc/68/43/06/572684306.db2.gz LWHMOGITTVLVIB-UHFFFAOYSA-N 0 0 175.231 2.886 10 0 AFAERN OCC/C=C/CC1CCCCC1 214719816 572684307 /nfs/dbraw/zinc/68/43/07/572684307.db2.gz YRSQRKMLTSTANH-GORDUTHDSA-N 0 0 168.280 2.895 10 0 AFAERN C[C@H]1Cc2cc(F)cc(Cl)c2N1 713732961 572684320 /nfs/dbraw/zinc/68/43/20/572684320.db2.gz BUQBUSIPTBUKSM-YFKPBYRVSA-N 0 0 185.629 2.836 10 0 AFAERN CCCC[C@@H](O)[C@@H]1CCCCS1 87704138 572684369 /nfs/dbraw/zinc/68/43/69/572684369.db2.gz PYRDKEMRQVKSBW-ZJUUUORDSA-N 0 0 188.336 2.823 10 0 AFAERN CCc1c(CO)oc2c(C)cccc12 77068575 572684374 /nfs/dbraw/zinc/68/43/74/572684374.db2.gz HCGWGABAJXLQJW-UHFFFAOYSA-N 0 0 190.242 2.796 10 0 AFAERN CCC[C@@H](C)CS[C@H](C)CCO 85146592 572684501 /nfs/dbraw/zinc/68/45/01/572684501.db2.gz ZOFFOADPXPOPAN-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1c(CO)oc2c(C)cccc12 77068486 572684523 /nfs/dbraw/zinc/68/45/23/572684523.db2.gz LKLULQWLBMOISJ-UHFFFAOYSA-N 0 0 176.215 2.542 10 0 AFAERN CCCc1c(CO)oc2ccccc12 77068121 572684532 /nfs/dbraw/zinc/68/45/32/572684532.db2.gz JEGFICGOQWDYDW-UHFFFAOYSA-N 0 0 190.242 2.878 10 0 AFAERN OCc1oc2ccccc2c1C1CC1 77068297 572684858 /nfs/dbraw/zinc/68/48/58/572684858.db2.gz DTLHWHDRGFJOHX-UHFFFAOYSA-N 0 0 188.226 2.803 10 0 AFAERN C[C@H]1Cc2cc(Cl)c(F)cc2N1 713732898 572684686 /nfs/dbraw/zinc/68/46/86/572684686.db2.gz BNVMJZSZQTULIY-YFKPBYRVSA-N 0 0 185.629 2.836 10 0 AFAERN CC[C@@H](C)[C@@H](O)[C@@H]1CCCCS1 87704558 572684717 /nfs/dbraw/zinc/68/47/17/572684717.db2.gz DHMAZPFOEWFUCJ-KXUCPTDWSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1c(N)oc2c(C)cccc12 77068573 572684755 /nfs/dbraw/zinc/68/47/55/572684755.db2.gz AZGAXTZATDQQCL-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN CCCC[C@@H](O)[C@H]1CCCCS1 87704142 572684806 /nfs/dbraw/zinc/68/48/06/572684806.db2.gz PYRDKEMRQVKSBW-NXEZZACHSA-N 0 0 188.336 2.823 10 0 AFAERN C/C=C\CSc1ccncc1 307869743 572685274 /nfs/dbraw/zinc/68/52/74/572685274.db2.gz KZLLPDOUQRGOTM-IHWYPQMZSA-N 0 0 165.261 2.750 10 0 AFAERN C[C@@](Cl)(CO)CCc1ccccc1 238407471 572686518 /nfs/dbraw/zinc/68/65/18/572686518.db2.gz ORJSILOZYZGUGI-NSHDSACASA-N 0 0 198.693 2.609 10 0 AFAERN CCc1c(N)oc2c(C)cccc12 77068648 572685430 /nfs/dbraw/zinc/68/54/30/572685430.db2.gz OVLARHUCCVSVEJ-UHFFFAOYSA-N 0 0 175.231 2.886 10 0 AFAERN c1cc2cc(-c3cnco3)ccc2cn1 116420498 572685441 /nfs/dbraw/zinc/68/54/41/572685441.db2.gz SVMUKRZFXCQTAT-UHFFFAOYSA-N 0 0 196.209 2.890 10 0 AFAERN Cc1c(CO)oc2c(Cl)cccc12 77069129 572685474 /nfs/dbraw/zinc/68/54/74/572685474.db2.gz RPMBKECQWUHVGU-UHFFFAOYSA-N 0 0 196.633 2.887 10 0 AFAERN CCNc1nc(C(C)(C)C)ncc1C 713461729 572685513 /nfs/dbraw/zinc/68/55/13/572685513.db2.gz CRJHHYCACBFTNO-UHFFFAOYSA-N 0 0 193.294 2.514 10 0 AFAERN Cc1c(N)oc2c(Cl)cccc12 77069189 572685548 /nfs/dbraw/zinc/68/55/48/572685548.db2.gz LKFLJSFCKWMCSZ-UHFFFAOYSA-N 0 0 181.622 2.977 10 0 AFAERN C/C=C\Cc1cccc(C)c1N 307869746 572685554 /nfs/dbraw/zinc/68/55/54/572685554.db2.gz GLHOLXWIDXDOOW-ARJAWSKDSA-N 0 0 161.248 2.696 10 0 AFAERN CCC(C)(C)C(=O)c1ccco1 54402193 572685683 /nfs/dbraw/zinc/68/56/83/572685683.db2.gz YGXSLKOUHWGYOZ-UHFFFAOYSA-N 0 0 166.220 2.899 10 0 AFAERN C[C@@H]1Cc2cc(F)cc(Cl)c2N1 713732960 572685801 /nfs/dbraw/zinc/68/58/01/572685801.db2.gz BUQBUSIPTBUKSM-RXMQYKEDSA-N 0 0 185.629 2.836 10 0 AFAERN CCCC[C@H](O)[C@H]1CCCCS1 87704140 572685805 /nfs/dbraw/zinc/68/58/05/572685805.db2.gz PYRDKEMRQVKSBW-VHSXEESVSA-N 0 0 188.336 2.823 10 0 AFAERN CCc1c(N)oc2ccccc12 77068047 572685820 /nfs/dbraw/zinc/68/58/20/572685820.db2.gz LKPFEGXDGNMRIZ-UHFFFAOYSA-N 0 0 161.204 2.577 10 0 AFAERN CCCc1c(N)oc2ccccc12 77068195 572686541 /nfs/dbraw/zinc/68/65/41/572686541.db2.gz OQKUXUXCXXEJEI-UHFFFAOYSA-N 0 0 175.231 2.968 10 0 AFAERN CC[C@@H](C)OC(=O)/C=C\C(C)(C)C 117439055 572686182 /nfs/dbraw/zinc/68/61/82/572686182.db2.gz GHLHWGMLASGIMR-UFGYOYAJSA-N 0 0 184.279 2.930 10 0 AFAERN C(=C\c1ccsn1)\c1cc[nH]c1 307869775 572686413 /nfs/dbraw/zinc/68/64/13/572686413.db2.gz GOMPQTMTUKXXGM-UPHRSURJSA-N 0 0 176.244 2.642 10 0 AFAERN CCCCc1cccc(O)c1C=O 116439229 572686425 /nfs/dbraw/zinc/68/64/25/572686425.db2.gz BHJGGCXLUAXILW-UHFFFAOYSA-N 0 0 178.231 2.547 10 0 AFAERN CCC(CC)[C@@H](O)[C@@H]1CCCS1 87703617 572686471 /nfs/dbraw/zinc/68/64/71/572686471.db2.gz KQIBPLLKKQJLRS-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN C/C=C\COc1cccc(F)c1F 116402993 572686477 /nfs/dbraw/zinc/68/64/77/572686477.db2.gz IVZKLVNXRDYEEO-IHWYPQMZSA-N 0 0 184.185 2.920 10 0 AFAERN CC[C@H](C)OC(=O)/C=C\C(C)(C)C 117439060 572686671 /nfs/dbraw/zinc/68/66/71/572686671.db2.gz GHLHWGMLASGIMR-FUOZMLNRSA-N 0 0 184.279 2.930 10 0 AFAERN CCCC[C@H](O)[C@@H]1CCCCS1 87704137 572686711 /nfs/dbraw/zinc/68/67/11/572686711.db2.gz PYRDKEMRQVKSBW-UWVGGRQHSA-N 0 0 188.336 2.823 10 0 AFAERN C[C@@H](Cn1cccc1)c1nccs1 235204378 572686703 /nfs/dbraw/zinc/68/67/03/572686703.db2.gz HEHOFOIUPVPNJN-VIFPVBQESA-N 0 0 192.287 2.748 10 0 AFAERN CCNc1nc([C@@H](C)CC)ncc1C 713462127 572686790 /nfs/dbraw/zinc/68/67/90/572686790.db2.gz HUMYYDWXJLFSHC-QMMMGPOBSA-N 0 0 193.294 2.730 10 0 AFAERN CC[C@H](C)OC(=O)/C=C/C(C)(C)C 117439061 572686982 /nfs/dbraw/zinc/68/69/82/572686982.db2.gz GHLHWGMLASGIMR-FLOXNTQESA-N 0 0 184.279 2.930 10 0 AFAERN Nc1ccccc1-c1cc(C2CC2)[nH]n1 66139578 572687092 /nfs/dbraw/zinc/68/70/92/572687092.db2.gz TZDVXAOFPQTDFG-UHFFFAOYSA-N 0 0 199.257 2.536 10 0 AFAERN CCC(CC)[C@H](O)[C@H]1CCCS1 87703619 572687098 /nfs/dbraw/zinc/68/70/98/572687098.db2.gz KQIBPLLKKQJLRS-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN CCC(CC)[C@H](O)[C@@H]1CCCS1 87703615 572687130 /nfs/dbraw/zinc/68/71/30/572687130.db2.gz KQIBPLLKKQJLRS-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)c1n[nH]c(C2CCCC2)n1 48690131 572687181 /nfs/dbraw/zinc/68/71/81/572687181.db2.gz WTFAEBGHTRCOSD-UHFFFAOYSA-N 0 0 179.267 2.586 10 0 AFAERN CCSCC[C@@H]1CC[C@@H](O)[C@H]1C 252914203 572687422 /nfs/dbraw/zinc/68/74/22/572687422.db2.gz QHBJZKWBTAMOJB-LPEHRKFASA-N 0 0 188.336 2.537 10 0 AFAERN C[C@@H]1Cc2cc(Cl)c(F)cc2N1 713732894 572687508 /nfs/dbraw/zinc/68/75/08/572687508.db2.gz BNVMJZSZQTULIY-RXMQYKEDSA-N 0 0 185.629 2.836 10 0 AFAERN CCC(CC)[C@@H](O)[C@H]1CCCS1 87703620 572687519 /nfs/dbraw/zinc/68/75/19/572687519.db2.gz KQIBPLLKKQJLRS-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@@H](C)Oc1ccc(C=O)cc1C 66153023 572687595 /nfs/dbraw/zinc/68/75/95/572687595.db2.gz GWVWZFFMFGXYIE-SNVBAGLBSA-N 0 0 192.258 2.985 10 0 AFAERN Cc1ccc(C)n1C[C@H]1CCO[C@H]1C 235308146 572687624 /nfs/dbraw/zinc/68/76/24/572687624.db2.gz GYACBZZIBWFLGP-NWDGAFQWSA-N 0 0 193.290 2.530 10 0 AFAERN c1ccc(-c2c[nH+][n-]c3nccc2-3)cc1 116375019 572687626 /nfs/dbraw/zinc/68/76/26/572687626.db2.gz IBKWODKJGMOSDB-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN NOCc1cccc(-c2ccccc2)c1 116424339 572687701 /nfs/dbraw/zinc/68/77/01/572687701.db2.gz DIOKUIVETKFPBQ-UHFFFAOYSA-N 0 0 199.253 2.744 10 0 AFAERN Nc1ccc(-c2cc(C3CC3)[nH]n2)cc1 66139767 572687806 /nfs/dbraw/zinc/68/78/06/572687806.db2.gz MDUKFEIDBNNIIC-UHFFFAOYSA-N 0 0 199.257 2.536 10 0 AFAERN Cc1cc(Cl)cs1 21986910 572687924 /nfs/dbraw/zinc/68/79/24/572687924.db2.gz LDNWUEWFBZXERC-UHFFFAOYSA-N 0 0 132.615 2.710 10 0 AFAERN Cc1ccc2c(C)c(N)oc2c1C 77070127 572687937 /nfs/dbraw/zinc/68/79/37/572687937.db2.gz QLVRUSVNOXKACL-UHFFFAOYSA-N 0 0 175.231 2.940 10 0 AFAERN CC[C@H](C)Sc1ccc(C=O)cn1 87719593 572687971 /nfs/dbraw/zinc/68/79/71/572687971.db2.gz KQTKTSDNDCVCTE-QMMMGPOBSA-N 0 0 195.287 2.785 10 0 AFAERN CC(C)CC(=O)COc1ccccc1 54436455 572688017 /nfs/dbraw/zinc/68/80/17/572688017.db2.gz NTXLUZGUKISVSB-UHFFFAOYSA-N 0 0 192.258 2.681 10 0 AFAERN CC[C@@H](C)Oc1ccc(F)cc1C=O 66153175 572688070 /nfs/dbraw/zinc/68/80/70/572688070.db2.gz NPWPUGLERZFEMI-MRVPVSSYSA-N 0 0 196.221 2.816 10 0 AFAERN C[C@H]1Cc2c(ccc(Cl)c2F)N1 713733553 572688241 /nfs/dbraw/zinc/68/82/41/572688241.db2.gz GFUGMFYFDLDCQO-YFKPBYRVSA-N 0 0 185.629 2.836 10 0 AFAERN CCc1ccc(OCC(C)C)c(N)c1 66140766 572688249 /nfs/dbraw/zinc/68/82/49/572688249.db2.gz XKVRFKDBNRMOTM-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN CCc1ccc2oc(N)c(C)c2c1 77070488 572688279 /nfs/dbraw/zinc/68/82/79/572688279.db2.gz FIEDBFBJSLVFBY-UHFFFAOYSA-N 0 0 175.231 2.886 10 0 AFAERN CC(C)CC[C@H](O)[C@@H]1CCCS1 87702121 572688348 /nfs/dbraw/zinc/68/83/48/572688348.db2.gz DEQBLHFEVQPLSG-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN CCc1ccc(OC(C)C)c(C=O)c1 66153082 572688368 /nfs/dbraw/zinc/68/83/68/572688368.db2.gz YAINEBZXBPOJPV-UHFFFAOYSA-N 0 0 192.258 2.849 10 0 AFAERN CC(C)CC[C@H](O)[C@H]1CCCS1 87702126 572688473 /nfs/dbraw/zinc/68/84/73/572688473.db2.gz DEQBLHFEVQPLSG-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1ccc(CCCC(N)=S)cc1 74413474 572688541 /nfs/dbraw/zinc/68/85/41/572688541.db2.gz TZBOKVUDABKBNE-UHFFFAOYSA-N 0 0 193.315 2.604 10 0 AFAERN CCSCC[C@@H]1CC[C@H](O)[C@H]1C 252914202 572688766 /nfs/dbraw/zinc/68/87/66/572688766.db2.gz QHBJZKWBTAMOJB-GUBZILKMSA-N 0 0 188.336 2.537 10 0 AFAERN Cc1cc(C)c2c(C)c(CO)oc2c1 77071136 572688782 /nfs/dbraw/zinc/68/87/82/572688782.db2.gz NCCVTRXUGJKDBV-UHFFFAOYSA-N 0 0 190.242 2.850 10 0 AFAERN Cc1c(N)oc2ccc(Cl)cc12 77069846 572688921 /nfs/dbraw/zinc/68/89/21/572688921.db2.gz DUUVTOYGJRNPAI-UHFFFAOYSA-N 0 0 181.622 2.977 10 0 AFAERN Nc1cccc(-c2cc(C3CC3)[nH]n2)c1 66140223 572688982 /nfs/dbraw/zinc/68/89/82/572688982.db2.gz YPECPKINBAMXKV-UHFFFAOYSA-N 0 0 199.257 2.536 10 0 AFAERN CCCCC[C@H](O)[C@H]1CCCS1 87702691 572689186 /nfs/dbraw/zinc/68/91/86/572689186.db2.gz SWUPWAZBTYEQCB-VHSXEESVSA-N 0 0 188.336 2.823 10 0 AFAERN O[C@@H](Cc1cccs1)c1ccco1 54445975 572691263 /nfs/dbraw/zinc/69/12/63/572691263.db2.gz SVBSVGNJVOHFLG-VIFPVBQESA-N 0 0 194.255 2.617 10 0 AFAERN Cc1ccc2c(C)c(CO)oc2c1C 77070057 572689359 /nfs/dbraw/zinc/68/93/59/572689359.db2.gz VYRMAFVGIGDJFA-UHFFFAOYSA-N 0 0 190.242 2.850 10 0 AFAERN NN[C@@H](CC1CCC1)C1=CCCCC1 236161766 572689389 /nfs/dbraw/zinc/68/93/89/572689389.db2.gz BCZPSWHDRIXZRT-LBPRGKRZSA-N 0 0 194.322 2.509 10 0 AFAERN Cc1cc(N)cc(C)c1OC(C)C 66140630 572689392 /nfs/dbraw/zinc/68/93/92/572689392.db2.gz ILEIPEXQKSEJNJ-UHFFFAOYSA-N 0 0 179.263 2.673 10 0 AFAERN CCCCCCOc1cccc(N)n1 87731611 572689431 /nfs/dbraw/zinc/68/94/31/572689431.db2.gz RFNITEYSOCRHFA-UHFFFAOYSA-N 0 0 194.278 2.623 10 0 AFAERN CCCCSc1ccc(C=O)cn1 87719663 572689509 /nfs/dbraw/zinc/68/95/09/572689509.db2.gz RPPYHEAHBGDNAF-UHFFFAOYSA-N 0 0 195.287 2.786 10 0 AFAERN CC[C@H](C)Oc1ccc(C=O)cc1C 66153024 572689573 /nfs/dbraw/zinc/68/95/73/572689573.db2.gz GWVWZFFMFGXYIE-JTQLQIEISA-N 0 0 192.258 2.985 10 0 AFAERN CC(C)CC[C@@H](O)[C@@H]1CCCS1 87702123 572689695 /nfs/dbraw/zinc/68/96/95/572689695.db2.gz DEQBLHFEVQPLSG-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN CO[C@](C)(CCO)CCC=C(C)C 238410801 572691527 /nfs/dbraw/zinc/69/15/27/572691527.db2.gz DXYFSGILZYOSBT-NSHDSACASA-N 0 0 186.295 2.520 10 0 AFAERN CC(C)CSc1ccc(C=O)cn1 87719647 572689861 /nfs/dbraw/zinc/68/98/61/572689861.db2.gz CEURGHAMUBZVNL-UHFFFAOYSA-N 0 0 195.287 2.642 10 0 AFAERN CC[C@H](C)C[C@H](O)[C@@H]1CCCS1 87702752 572689894 /nfs/dbraw/zinc/68/98/94/572689894.db2.gz FCTVQPTXUNZTJP-GUBZILKMSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@@H](C)Sc1ccc(C=O)cn1 87719591 572690036 /nfs/dbraw/zinc/69/00/36/572690036.db2.gz KQTKTSDNDCVCTE-MRVPVSSYSA-N 0 0 195.287 2.785 10 0 AFAERN CC[C@H](C)Oc1ccc(F)cc1C=O 66153176 572690056 /nfs/dbraw/zinc/69/00/56/572690056.db2.gz NPWPUGLERZFEMI-QMMMGPOBSA-N 0 0 196.221 2.816 10 0 AFAERN CC[C@H](C)C[C@@H](O)[C@@H]1CCCS1 87702756 572690057 /nfs/dbraw/zinc/69/00/57/572690057.db2.gz FCTVQPTXUNZTJP-AEJSXWLSSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1cc(C)c2oc(CO)c(C)c2c1 77070784 572690093 /nfs/dbraw/zinc/69/00/93/572690093.db2.gz IYKNQNJTZJEUCS-UHFFFAOYSA-N 0 0 190.242 2.850 10 0 AFAERN CCCSc1ncc(C=O)cc1C 87719600 572690161 /nfs/dbraw/zinc/69/01/61/572690161.db2.gz OXWAYRWRMYDQKT-UHFFFAOYSA-N 0 0 195.287 2.705 10 0 AFAERN CC[C@H](C)Oc1ccc(C)cc1C=O 66153070 572690193 /nfs/dbraw/zinc/69/01/93/572690193.db2.gz NXGPYZCXZPXYQV-JTQLQIEISA-N 0 0 192.258 2.985 10 0 AFAERN CC[C@@H](C)Oc1ccc(C)cc1C=O 66153069 572690209 /nfs/dbraw/zinc/69/02/09/572690209.db2.gz NXGPYZCXZPXYQV-SNVBAGLBSA-N 0 0 192.258 2.985 10 0 AFAERN CCOCOc1ccc2[nH]ccc2c1 87723367 572690306 /nfs/dbraw/zinc/69/03/06/572690306.db2.gz CPSYQLPHGJVXOZ-UHFFFAOYSA-N 0 0 191.230 2.541 10 0 AFAERN CC[C@@H](C)C[C@@H](O)[C@@H]1CCCS1 87702754 572690321 /nfs/dbraw/zinc/69/03/21/572690321.db2.gz FCTVQPTXUNZTJP-BBBLOLIVSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H]1Cc2c(ccc(Cl)c2F)N1 713733551 572690371 /nfs/dbraw/zinc/69/03/71/572690371.db2.gz GFUGMFYFDLDCQO-RXMQYKEDSA-N 0 0 185.629 2.836 10 0 AFAERN CCCCC[C@H](O)[C@@H]1CCCS1 87702687 572690421 /nfs/dbraw/zinc/69/04/21/572690421.db2.gz SWUPWAZBTYEQCB-UWVGGRQHSA-N 0 0 188.336 2.823 10 0 AFAERN CC(C)CC[C@@H](O)[C@H]1CCCS1 87702128 572690512 /nfs/dbraw/zinc/69/05/12/572690512.db2.gz DEQBLHFEVQPLSG-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN CCCCC[C@@H](O)[C@@H]1CCCS1 87702689 572690496 /nfs/dbraw/zinc/69/04/96/572690496.db2.gz SWUPWAZBTYEQCB-ZJUUUORDSA-N 0 0 188.336 2.823 10 0 AFAERN CCCCC[C@@H](O)[C@H]1CCCS1 87702693 572690625 /nfs/dbraw/zinc/69/06/25/572690625.db2.gz SWUPWAZBTYEQCB-NXEZZACHSA-N 0 0 188.336 2.823 10 0 AFAERN Cc1cc(C)c2oc(N)c(C)c2c1 77070852 572690644 /nfs/dbraw/zinc/69/06/44/572690644.db2.gz NCKMAYZPUZZVDL-UHFFFAOYSA-N 0 0 175.231 2.940 10 0 AFAERN c1ccc(-c2coc3ncncc23)cc1 117475863 572690976 /nfs/dbraw/zinc/69/09/76/572690976.db2.gz BTLJHCXVWYGMGR-UHFFFAOYSA-N 0 0 196.209 2.890 10 0 AFAERN O[C@H](Cc1cccs1)c1ccco1 54445970 572691040 /nfs/dbraw/zinc/69/10/40/572691040.db2.gz SVBSVGNJVOHFLG-SECBINFHSA-N 0 0 194.255 2.617 10 0 AFAERN CCCOc1ccc(CC)cc1N 66140752 572691086 /nfs/dbraw/zinc/69/10/86/572691086.db2.gz FRAJUEPCHYDQRI-UHFFFAOYSA-N 0 0 179.263 2.620 10 0 AFAERN CC(C)C[C@@H](O)c1cncn1C(C)C 85188990 572691212 /nfs/dbraw/zinc/69/12/12/572691212.db2.gz RNCVLVCZMGSWRU-LLVKDONJSA-N 0 0 196.294 2.544 10 0 AFAERN Cc1cc([C@H](C)[NH3+])c(C(C)C)o1 77072477 572691460 /nfs/dbraw/zinc/69/14/60/572691460.db2.gz WCSTXTFNUINZAN-QMMMGPOBSA-N 0 0 167.252 2.731 10 0 AFAERN Cc1cc([C@H](C)[NH3+])c(C(C)(C)C)o1 77072581 572691533 /nfs/dbraw/zinc/69/15/33/572691533.db2.gz VCXFCBBSKHLTFJ-QMMMGPOBSA-N 0 0 181.279 2.905 10 0 AFAERN CCc1oc(C(C)C)cc1C[NH2+]C 77075771 572691577 /nfs/dbraw/zinc/69/15/77/572691577.db2.gz GFWMLYCKXUCXOI-UHFFFAOYSA-N 0 0 181.279 2.685 10 0 AFAERN CC(=O)c1cc(C)oc1C(C)C 77072473 572691738 /nfs/dbraw/zinc/69/17/38/572691738.db2.gz UZFWZTKWZKRASQ-UHFFFAOYSA-N 0 0 166.220 2.914 10 0 AFAERN CCc1oc(C(C)(C)C)cc1CO 77075872 572691835 /nfs/dbraw/zinc/69/18/35/572691835.db2.gz WJIBDPNGSNJCRO-UHFFFAOYSA-N 0 0 182.263 2.632 10 0 AFAERN CC[C@H](C)CNc1cc(Cl)ncn1 54490394 572691856 /nfs/dbraw/zinc/69/18/56/572691856.db2.gz AOBHXAFJLRDEKT-ZETCQYMHSA-N 0 0 199.685 2.588 10 0 AFAERN CNc1cccc(OC(C)C)c1 66172159 572691896 /nfs/dbraw/zinc/69/18/96/572691896.db2.gz MEMLAGUGXCSISX-UHFFFAOYSA-N 0 0 165.236 2.516 10 0 AFAERN Cc1cc([C@@H](C)[NH3+])c(C(C)C)o1 77072476 572691970 /nfs/dbraw/zinc/69/19/70/572691970.db2.gz WCSTXTFNUINZAN-MRVPVSSYSA-N 0 0 167.252 2.731 10 0 AFAERN Cc1cc(C=O)c(C(C)(C)C)o1 77072485 572691998 /nfs/dbraw/zinc/69/19/98/572691998.db2.gz HYMMWLMKXQXIMX-UHFFFAOYSA-N 0 0 166.220 2.698 10 0 AFAERN Cc1cc(C[NH2+]C2CC2)c(C(C)C)o1 77072382 572692125 /nfs/dbraw/zinc/69/21/25/572692125.db2.gz FSDLFJZQHXQVCC-UHFFFAOYSA-N 0 0 193.290 2.963 10 0 AFAERN CCCC[C@H](O)c1cncn1C(C)C 85188895 572692158 /nfs/dbraw/zinc/69/21/58/572692158.db2.gz PUZDEFMDBVKAME-NSHDSACASA-N 0 0 196.294 2.688 10 0 AFAERN CCCC[C@@H](O)c1cncn1CCC 85187068 572692333 /nfs/dbraw/zinc/69/23/33/572692333.db2.gz FCGZUCYNIYSMMP-LLVKDONJSA-N 0 0 196.294 2.517 10 0 AFAERN C[NH2+]Cc1cc(C)oc1C(C)(C)C 77072486 572692402 /nfs/dbraw/zinc/69/24/02/572692402.db2.gz CZZFKOAOTACETE-UHFFFAOYSA-N 0 0 181.279 2.605 10 0 AFAERN CC[C@H](C)CNc1ccccc1N 54466604 572692452 /nfs/dbraw/zinc/69/24/52/572692452.db2.gz UUNGRQNWQRWBBN-VIFPVBQESA-N 0 0 178.279 2.727 10 0 AFAERN Cc1cc([C@@H](C)[NH3+])c(C(C)(C)C)o1 77072580 572692479 /nfs/dbraw/zinc/69/24/79/572692479.db2.gz VCXFCBBSKHLTFJ-MRVPVSSYSA-N 0 0 181.279 2.905 10 0 AFAERN CCC[NH2+]Cc1cc(C)oc1CC 77075662 572692485 /nfs/dbraw/zinc/69/24/85/572692485.db2.gz YIQSBJVSIKYTRS-UHFFFAOYSA-N 0 0 181.279 2.650 10 0 AFAERN CCCC[C@H](O)c1cncn1CCC 85187066 572692543 /nfs/dbraw/zinc/69/25/43/572692543.db2.gz FCGZUCYNIYSMMP-NSHDSACASA-N 0 0 196.294 2.517 10 0 AFAERN CCc1oc(C(C)C)cc1C(N)=S 77075782 572692566 /nfs/dbraw/zinc/69/25/66/572692566.db2.gz SVPGLTAKVFNLJH-UHFFFAOYSA-N 0 0 197.303 2.600 10 0 AFAERN CC[NH2+]Cc1cc(C)oc1C(C)(C)C 77072487 572692589 /nfs/dbraw/zinc/69/25/89/572692589.db2.gz KQVDEKUTTICZQN-UHFFFAOYSA-N 0 0 195.306 2.995 10 0 AFAERN Cc1cc(N[C@H]2C[C@H]2C)c(N)cc1F 235302326 572692697 /nfs/dbraw/zinc/69/26/97/572692697.db2.gz ZPWOMSITMIEEMH-XCBNKYQSSA-N 0 0 194.253 2.537 10 0 AFAERN CC(C)=CC[C@H](C)/C=C(/C)CO 238408800 572692711 /nfs/dbraw/zinc/69/27/11/572692711.db2.gz PSIOIPWJOZPZPA-QBQSQJOESA-N 0 0 168.280 2.917 10 0 AFAERN CC(=O)c1cc(C)oc1C(F)(F)F 77072663 572692873 /nfs/dbraw/zinc/69/28/73/572692873.db2.gz WPPGZHOMDLPLOO-UHFFFAOYSA-N 0 0 192.136 2.809 10 0 AFAERN Cc1cc(C(N)=S)c(C(C)(C)C)o1 77072497 572693010 /nfs/dbraw/zinc/69/30/10/572693010.db2.gz LUIJTNIYTKULGX-UHFFFAOYSA-N 0 0 197.303 2.520 10 0 AFAERN COC(=N)c1csc2ccccc12 54462916 572693091 /nfs/dbraw/zinc/69/30/91/572693091.db2.gz VGGBOXVDLXYACW-UHFFFAOYSA-N 0 0 191.255 2.873 10 0 AFAERN CC[NH2+]Cc1cc(C)oc1C(C)C 77072379 572693106 /nfs/dbraw/zinc/69/31/06/572693106.db2.gz FDMHCOQVXFYGKX-UHFFFAOYSA-N 0 0 181.279 2.821 10 0 AFAERN CCNc1cccc(OC(C)C)c1 66170854 572693236 /nfs/dbraw/zinc/69/32/36/572693236.db2.gz NYDGLUMFVBUXIR-UHFFFAOYSA-N 0 0 179.263 2.906 10 0 AFAERN CCc1oc(C(F)(F)F)cc1C=O 77075964 572693259 /nfs/dbraw/zinc/69/32/59/572693259.db2.gz ARGVRKMNKSPBAP-UHFFFAOYSA-N 0 0 192.136 2.673 10 0 AFAERN CCc1oc(C)cc1C[NH2+]C(C)C 77075661 572693312 /nfs/dbraw/zinc/69/33/12/572693312.db2.gz GEDBKFDEIGUJEE-UHFFFAOYSA-N 0 0 181.279 2.648 10 0 AFAERN CCCC[C@@H](O)c1cncn1C(C)C 85188896 572693433 /nfs/dbraw/zinc/69/34/33/572693433.db2.gz PUZDEFMDBVKAME-LLVKDONJSA-N 0 0 196.294 2.688 10 0 AFAERN Cc1cc(C)c2c(C)c(N)oc2c1 77071207 572693412 /nfs/dbraw/zinc/69/34/12/572693412.db2.gz BJMMMFGCSZNUQJ-UHFFFAOYSA-N 0 0 175.231 2.940 10 0 AFAERN CC[C@@H](C)CNc1ccccc1N 54466602 572693601 /nfs/dbraw/zinc/69/36/01/572693601.db2.gz UUNGRQNWQRWBBN-SECBINFHSA-N 0 0 178.279 2.727 10 0 AFAERN CCCCC[C@H](O)c1cncn1CC 85185102 572693829 /nfs/dbraw/zinc/69/38/29/572693829.db2.gz AYOWJJMHNXVZNV-NSHDSACASA-N 0 0 196.294 2.517 10 0 AFAERN CCCCC[C@@H](O)c1cncn1CC 85185104 572693838 /nfs/dbraw/zinc/69/38/38/572693838.db2.gz AYOWJJMHNXVZNV-LLVKDONJSA-N 0 0 196.294 2.517 10 0 AFAERN CCC[C@H](C)CC(=O)CSC 54494352 572694201 /nfs/dbraw/zinc/69/42/01/572694201.db2.gz BWBCZYIDASENOP-QMMMGPOBSA-N 0 0 174.309 2.745 10 0 AFAERN CC[C@@H](C)Cn1c(C)cc(C=O)c1C 54472672 572694228 /nfs/dbraw/zinc/69/42/28/572694228.db2.gz VYEUIOUYOVBUMI-SECBINFHSA-N 0 0 193.290 2.964 10 0 AFAERN CCCCOc1ccc(NC#N)cc1 66182625 572694737 /nfs/dbraw/zinc/69/47/37/572694737.db2.gz UXQFMLQMXWXMBP-UHFFFAOYSA-N 0 0 190.246 2.758 10 0 AFAERN CC[C@H](C)CNc1ccc(F)cn1 54474023 572694814 /nfs/dbraw/zinc/69/48/14/572694814.db2.gz DFPFBILXZLBLEI-QMMMGPOBSA-N 0 0 182.242 2.679 10 0 AFAERN CSCC(=O)CCC=C(C)C 238416733 572694907 /nfs/dbraw/zinc/69/49/07/572694907.db2.gz CLBVUOAVAQINCP-UHFFFAOYSA-N 0 0 172.293 2.665 10 0 AFAERN CC[C@@H](C)CNc1ccc(F)cn1 54474020 572695078 /nfs/dbraw/zinc/69/50/78/572695078.db2.gz DFPFBILXZLBLEI-MRVPVSSYSA-N 0 0 182.242 2.679 10 0 AFAERN CC[C@@H](C)CNc1ccnc(Cl)n1 54490363 572695129 /nfs/dbraw/zinc/69/51/29/572695129.db2.gz XLWUWFRNMZUHFB-SSDOTTSWSA-N 0 0 199.685 2.588 10 0 AFAERN CC[C@@H](C)CNc1cccc(F)n1 54490389 572695140 /nfs/dbraw/zinc/69/51/40/572695140.db2.gz AUJULFRJAJIHER-MRVPVSSYSA-N 0 0 182.242 2.679 10 0 AFAERN CSC[C@@H](O)c1cc(C)cc(C)c1 54494564 572695148 /nfs/dbraw/zinc/69/51/48/572695148.db2.gz RCQVKSJFLWFIFM-LLVKDONJSA-N 0 0 196.315 2.700 10 0 AFAERN C[C@@H]1COc2ccc(N)c3cccc1c23 238413477 572695158 /nfs/dbraw/zinc/69/51/58/572695158.db2.gz PDJCAHJLEMFQEP-MRVPVSSYSA-N 0 0 199.253 2.918 10 0 AFAERN CC(C)COc1ccc(NC#N)cc1 66182628 572695291 /nfs/dbraw/zinc/69/52/91/572695291.db2.gz BLZZTHRSFXNIIH-UHFFFAOYSA-N 0 0 190.246 2.614 10 0 AFAERN CC[C@@H](C)Oc1ccc(NC#N)cc1 66182626 572695309 /nfs/dbraw/zinc/69/53/09/572695309.db2.gz QROVJBLJIQJJDV-SECBINFHSA-N 0 0 190.246 2.757 10 0 AFAERN CC[C@@H](C)CNc1ccc(F)cc1N 54466710 572695437 /nfs/dbraw/zinc/69/54/37/572695437.db2.gz DEXCGABLCRPRKX-MRVPVSSYSA-N 0 0 196.269 2.866 10 0 AFAERN CC(C)COc1cccc(NC#N)c1 66182634 572695489 /nfs/dbraw/zinc/69/54/89/572695489.db2.gz IUNGKJCVXUEIMS-UHFFFAOYSA-N 0 0 190.246 2.614 10 0 AFAERN CC(C)(C)c1ccc2c(c1)NCCN2 66182620 572695728 /nfs/dbraw/zinc/69/57/28/572695728.db2.gz MEGUPRDURRMTBB-UHFFFAOYSA-N 0 0 190.290 2.822 10 0 AFAERN CSC[C@H](O)c1cc(C)cc(C)c1 54494566 572695730 /nfs/dbraw/zinc/69/57/30/572695730.db2.gz RCQVKSJFLWFIFM-NSHDSACASA-N 0 0 196.315 2.700 10 0 AFAERN CC(C)=C(C)CC[C@H](C)CC(N)=O 238415316 572695885 /nfs/dbraw/zinc/69/58/85/572695885.db2.gz PATUALOCPAIJHT-VIFPVBQESA-N 0 0 183.295 2.634 10 0 AFAERN CC[C@H](C)CNc1ccc(F)cc1N 54466712 572695911 /nfs/dbraw/zinc/69/59/11/572695911.db2.gz DEXCGABLCRPRKX-QMMMGPOBSA-N 0 0 196.269 2.866 10 0 AFAERN CC[C@H](C)CNc1ccnc(Cl)n1 54490364 572695917 /nfs/dbraw/zinc/69/59/17/572695917.db2.gz XLWUWFRNMZUHFB-ZETCQYMHSA-N 0 0 199.685 2.588 10 0 AFAERN CC[C@H](C)Oc1ccc(NC#N)cc1 66182627 572695934 /nfs/dbraw/zinc/69/59/34/572695934.db2.gz QROVJBLJIQJJDV-VIFPVBQESA-N 0 0 190.246 2.757 10 0 AFAERN Cc1cc(CO)c(C(C)C)s1 77093285 572696077 /nfs/dbraw/zinc/69/60/77/572696077.db2.gz HUPYKIGQFIXFSB-UHFFFAOYSA-N 0 0 170.277 2.672 10 0 AFAERN CC(C)COc1ccccc1NC#N 66182633 572696116 /nfs/dbraw/zinc/69/61/16/572696116.db2.gz ASRKOQUAPIBKEJ-UHFFFAOYSA-N 0 0 190.246 2.614 10 0 AFAERN CCOCCCC(=O)c1occc1C 689548816 572696121 /nfs/dbraw/zinc/69/61/21/572696121.db2.gz XZWXEYGSOOWLRC-UHFFFAOYSA-N 0 0 196.246 2.587 10 0 AFAERN c1ccc2cc3c(cc2c1)NCCN3 66182621 572696487 /nfs/dbraw/zinc/69/64/87/572696487.db2.gz OLSNXWRLLMNGDR-UHFFFAOYSA-N 0 0 184.242 2.677 10 0 AFAERN CCCCOc1ccccc1NC#N 66182646 572696522 /nfs/dbraw/zinc/69/65/22/572696522.db2.gz BZHUTVMHICIODH-UHFFFAOYSA-N 0 0 190.246 2.758 10 0 AFAERN CCCCOc1cccc(NC#N)c1 66182637 572696688 /nfs/dbraw/zinc/69/66/88/572696688.db2.gz VPPJATZIESQYIO-UHFFFAOYSA-N 0 0 190.246 2.758 10 0 AFAERN C[C@H](CCCC1CCCCC1)C(N)=O 238416057 572696741 /nfs/dbraw/zinc/69/67/41/572696741.db2.gz SYKLNPOWYRJPQQ-SNVBAGLBSA-N 0 0 197.322 2.858 10 0 AFAERN CCCCC(=O)[C@]1(C)CCCCO1 87761613 572700276 /nfs/dbraw/zinc/70/02/76/572700276.db2.gz XTDIHCLUSPXUML-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CCC[C@@H](C)CSCCCO 85163859 572696866 /nfs/dbraw/zinc/69/68/66/572696866.db2.gz JTBWRJPQSGRIAZ-SECBINFHSA-N 0 0 176.325 2.538 10 0 AFAERN COc1cccc2c1-c1cccn1CC2 238409236 572697263 /nfs/dbraw/zinc/69/72/63/572697263.db2.gz QINKHGOINASDNH-UHFFFAOYSA-N 0 0 199.253 2.720 10 0 AFAERN CC[C@@H](C)/C=C(C)/C=C/CO 307872264 572698942 /nfs/dbraw/zinc/69/89/42/572698942.db2.gz KPWJGFHPPFRDQJ-IZSAVBNHSA-N 0 0 154.253 2.527 10 0 AFAERN C[C@@]1(C(=O)CCC2CC2)CCCCO1 87761549 572697295 /nfs/dbraw/zinc/69/72/95/572697295.db2.gz AGOFGYIMJYNBFO-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN C=C/C(=C\CO)Sc1ccccc1 214187349 572697370 /nfs/dbraw/zinc/69/73/70/572697370.db2.gz PXRQUJRZAAHCRK-CSKARUKUSA-N 0 0 192.283 2.841 10 0 AFAERN CC[C@H](C)/C=C(C)/C=C/CO 307872254 572697376 /nfs/dbraw/zinc/69/73/76/572697376.db2.gz KPWJGFHPPFRDQJ-BWNDBPRISA-N 0 0 154.253 2.527 10 0 AFAERN CCC[C@H](C)CSCCCO 85163860 572697379 /nfs/dbraw/zinc/69/73/79/572697379.db2.gz JTBWRJPQSGRIAZ-VIFPVBQESA-N 0 0 176.325 2.538 10 0 AFAERN CCCC[C@H](/C=C\CO)CC 307872109 572697435 /nfs/dbraw/zinc/69/74/35/572697435.db2.gz KJHBCXWNZHYLAL-BJPMOSCESA-N 0 0 156.269 2.751 10 0 AFAERN CC[C@H](C)CC(=O)[C@@]1(C)CCCCO1 87761471 572697467 /nfs/dbraw/zinc/69/74/67/572697467.db2.gz ZADFNADVSHPOML-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)CCC(=O)[C@]1(C)CCCCO1 87761562 572697495 /nfs/dbraw/zinc/69/74/95/572697495.db2.gz RMVSXQAVMJWREH-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN C=C/C=C/CCOc1cccnc1 713733748 572697567 /nfs/dbraw/zinc/69/75/67/572697567.db2.gz ZNZCLYPMMGENER-ONEGZZNKSA-N 0 0 175.231 2.593 10 0 AFAERN CCCC[C@@H](/C=C\CO)CC 307872115 572697595 /nfs/dbraw/zinc/69/75/95/572697595.db2.gz KJHBCXWNZHYLAL-ZEBCKKTISA-N 0 0 156.269 2.751 10 0 AFAERN CSc1ccc(CC(C)=O)c(C)c1 117535600 572697672 /nfs/dbraw/zinc/69/76/72/572697672.db2.gz WFCBJYPCNNJGTF-UHFFFAOYSA-N 0 0 194.299 2.848 10 0 AFAERN CC1CCC(SCCCO)CC1 85163885 572697822 /nfs/dbraw/zinc/69/78/22/572697822.db2.gz RUASWXLRCRPOSG-UHFFFAOYSA-N 0 0 188.336 2.681 10 0 AFAERN CCc1cccc(C(C)(C)CO)c1 117495776 572700299 /nfs/dbraw/zinc/70/02/99/572700299.db2.gz PXZSDFIZMOKWKO-UHFFFAOYSA-N 0 0 178.275 2.519 10 0 AFAERN CC(/C=C1\C=CCCC1)=C\CO 214834235 572698304 /nfs/dbraw/zinc/69/83/04/572698304.db2.gz KTEGIQFEOJPTPB-PPZOTWNKSA-N 0 0 164.248 2.592 10 0 AFAERN C=Cc1cc(F)ccc1C[NH2+]C1CC1 236168232 572700317 /nfs/dbraw/zinc/70/03/17/572700317.db2.gz UTMCIQSYTAWDAS-UHFFFAOYSA-N 0 0 191.249 2.721 10 0 AFAERN CCC(CC)C(=O)[C@@]1(C)CCCCO1 87761800 572698565 /nfs/dbraw/zinc/69/85/65/572698565.db2.gz IAVGKESORUDZND-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC1=C[C@H](C)C[C@H]([C@@H](O)C(F)F)C1 235313796 572700391 /nfs/dbraw/zinc/70/03/91/572700391.db2.gz QWXJSPYUPLBELV-CNUIFLNQSA-N 0 0 190.233 2.605 10 0 AFAERN C/C=C\COc1nc(Cl)cs1 307871870 572698607 /nfs/dbraw/zinc/69/86/07/572698607.db2.gz RNPASPZHDDCWPR-IHWYPQMZSA-N 0 0 189.667 2.751 10 0 AFAERN C/C=C/COc1ccccc1OC 117493286 572698696 /nfs/dbraw/zinc/69/86/96/572698696.db2.gz YMKOXOAYFTVGFU-ONEGZZNKSA-N 0 0 178.231 2.650 10 0 AFAERN CC[C@H](C)/C=C(C)/C=C\CO 307872260 572698774 /nfs/dbraw/zinc/69/87/74/572698774.db2.gz KPWJGFHPPFRDQJ-CKKQXWGOSA-N 0 0 154.253 2.527 10 0 AFAERN CCCCC(=O)[C@@]1(C)CCCCO1 87761615 572698799 /nfs/dbraw/zinc/69/87/99/572698799.db2.gz XTDIHCLUSPXUML-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN C=CC(=O)NCC[C@H]1CCC[C@@H](C)C1 70532331 572698864 /nfs/dbraw/zinc/69/88/64/572698864.db2.gz CLRCQZMFBDGFSK-GHMZBOCLSA-N 0 0 195.306 2.505 10 0 AFAERN CC(C)CCC(=O)[C@@]1(C)CCCCO1 87761564 572700392 /nfs/dbraw/zinc/70/03/92/572700392.db2.gz RMVSXQAVMJWREH-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN C/C=C\c1ccccc1[C@H](C)O 214833342 572699086 /nfs/dbraw/zinc/69/90/86/572699086.db2.gz FPKYFLPQKZRWFV-RWIWAZIYSA-N 0 0 162.232 2.773 10 0 AFAERN C[C@]1(c2ccccc2)CCC=C[C@@H]1O 207891566 572699179 /nfs/dbraw/zinc/69/91/79/572699179.db2.gz IXMFZGACZRDUCH-QWHCGFSZSA-N 0 0 188.270 2.655 10 0 AFAERN CCCCC/C=C(\C)[C@@H](C)O 307872093 572699218 /nfs/dbraw/zinc/69/92/18/572699218.db2.gz KHSROMAFQUYPFL-AAXQSMANSA-N 0 0 156.269 2.894 10 0 AFAERN CCCCSc1cccc(N)n1 87732044 572699325 /nfs/dbraw/zinc/69/93/25/572699325.db2.gz NDKKIDBMZIAETP-UHFFFAOYSA-N 0 0 182.292 2.556 10 0 AFAERN C[C@@H]1NC(=O)c2cc3ccccc3cc21 238417487 572699379 /nfs/dbraw/zinc/69/93/79/572699379.db2.gz XZGBNMAGJKDPSS-QMMMGPOBSA-N 0 0 197.237 2.644 10 0 AFAERN C[C@]1(C(=O)CCC2CC2)CCCCO1 87761547 572699503 /nfs/dbraw/zinc/69/95/03/572699503.db2.gz AGOFGYIMJYNBFO-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN C/C=C\c1ccccc1[C@@H](C)O 214833296 572699543 /nfs/dbraw/zinc/69/95/43/572699543.db2.gz FPKYFLPQKZRWFV-JVBZPZKUSA-N 0 0 162.232 2.773 10 0 AFAERN O[C@H](CC1CCCC1)c1ccoc1 70531701 572699705 /nfs/dbraw/zinc/69/97/05/572699705.db2.gz ZIEDDFWQHPCYFU-LLVKDONJSA-N 0 0 180.247 2.893 10 0 AFAERN CC[C@@H](C)CC(=O)[C@@]1(C)CCCCO1 87761470 572699707 /nfs/dbraw/zinc/69/97/07/572699707.db2.gz ZADFNADVSHPOML-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H](C)CC(=O)[C@]1(C)CCCCO1 87761465 572699736 /nfs/dbraw/zinc/69/97/36/572699736.db2.gz ZADFNADVSHPOML-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN C=C=C(CCc1ccccc1)[C@@H](C)O 238421418 572700384 /nfs/dbraw/zinc/70/03/84/572700384.db2.gz UHHSDKWLFDWANC-LLVKDONJSA-N 0 0 188.270 2.711 10 0 AFAERN CC[C@H](C)CC(=O)[C@]1(C)CCCCO1 87761467 572700055 /nfs/dbraw/zinc/70/00/55/572700055.db2.gz ZADFNADVSHPOML-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)=CCC[C@H](C)[C@H]1CNC(=O)C1 238419564 572700658 /nfs/dbraw/zinc/70/06/58/572700658.db2.gz HCRINAMQVWCLSO-WDEREUQCSA-N 0 0 195.306 2.505 10 0 AFAERN O[C@@H](CC1CCCC1)c1ccoc1 70531702 572700772 /nfs/dbraw/zinc/70/07/72/572700772.db2.gz ZIEDDFWQHPCYFU-NSHDSACASA-N 0 0 180.247 2.893 10 0 AFAERN CC(=O)C1[C@H]2CCCCCC[C@H]12 196866375 572700845 /nfs/dbraw/zinc/70/08/45/572700845.db2.gz UQSDTHIMJLJYBA-UWVGGRQHSA-N 0 0 166.264 2.792 10 0 AFAERN Clc1cccc(N2C[C@H]3C[C@H]3C2)c1 214757842 572701038 /nfs/dbraw/zinc/70/10/38/572701038.db2.gz AUKOQSKMJOQTBX-DTORHVGOSA-N 0 0 193.677 2.796 10 0 AFAERN C[C@@H]1C[C@H](O)c2ccc(F)c(F)c21 235311760 572701329 /nfs/dbraw/zinc/70/13/29/572701329.db2.gz CSXFHDLKSRPBSZ-XRGYYRRGSA-N 0 0 184.185 2.505 10 0 AFAERN Nc1cc(CC2CCCCC2)cc[nH+]1 70531937 572701338 /nfs/dbraw/zinc/70/13/38/572701338.db2.gz CZCQCKJQUZZCEC-UHFFFAOYSA-N 0 0 190.290 2.787 10 0 AFAERN CC(C)(C)[C@@H]1C(=O)[C@@]2(C)CC=C[C@H]12 307622539 572702009 /nfs/dbraw/zinc/70/20/09/572702009.db2.gz CRLNEHDVEJAPHF-PTRXPTGYSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)=CCC[C@H](C)n1nccc1N 238419757 572701550 /nfs/dbraw/zinc/70/15/50/572701550.db2.gz KKUDEZYPVKHZSQ-JTQLQIEISA-N 0 0 193.294 2.773 10 0 AFAERN CC(C)(C)Sc1ccc[nH]1 196865779 572701563 /nfs/dbraw/zinc/70/15/63/572701563.db2.gz GGUZIBSXRHUYEX-UHFFFAOYSA-N 0 0 155.266 2.905 10 0 AFAERN CC(=O)C1[C@@H]2CCCCCC[C@@H]12 196866397 572701711 /nfs/dbraw/zinc/70/17/11/572701711.db2.gz UQSDTHIMJLJYBA-NXEZZACHSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)C(C)(C)SC[C@H](C)O 307623501 572701801 /nfs/dbraw/zinc/70/18/01/572701801.db2.gz DYBROMMCKHHJKC-QMMMGPOBSA-N 0 0 176.325 2.535 10 0 AFAERN CC(C)(C)[C@@H]1C(=O)[C@]2(C)CC=C[C@H]12 307622540 572701805 /nfs/dbraw/zinc/70/18/05/572701805.db2.gz CRLNEHDVEJAPHF-VDDIYKPWSA-N 0 0 178.275 2.814 10 0 AFAERN Clc1cccc(N2CC3CC2C3)c1 214758272 572701849 /nfs/dbraw/zinc/70/18/49/572701849.db2.gz IJMCDIBPUDMYQF-UHFFFAOYSA-N 0 0 193.677 2.939 10 0 AFAERN Clc1ccc(N2CC3CC2C3)cc1 214758201 572701864 /nfs/dbraw/zinc/70/18/64/572701864.db2.gz GYCOOAPQCHWLGJ-UHFFFAOYSA-N 0 0 193.677 2.939 10 0 AFAERN Cc1cc(-c2ccncc2)c(C)[nH]1 196862913 572701881 /nfs/dbraw/zinc/70/18/81/572701881.db2.gz UCLWYRIKMKPRLC-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN CC(C)C(C)(C)SC[C@@H](C)O 307623500 572702027 /nfs/dbraw/zinc/70/20/27/572702027.db2.gz DYBROMMCKHHJKC-MRVPVSSYSA-N 0 0 176.325 2.535 10 0 AFAERN C[C@H](CCCO)C1CCCCC1 238419809 572702033 /nfs/dbraw/zinc/70/20/33/572702033.db2.gz SJWYYQOTXWRODM-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN CS[C@H]1CCC[C@@H]1n1cccc1 235210231 572702042 /nfs/dbraw/zinc/70/20/42/572702042.db2.gz OWLDMDMTEFWAAO-UWVGGRQHSA-N 0 0 181.304 2.945 10 0 AFAERN CC(C)=CCC[C@H](C)n1cc(N)cn1 238419738 572702084 /nfs/dbraw/zinc/70/20/84/572702084.db2.gz OYBDCXQCLRPXDL-JTQLQIEISA-N 0 0 193.294 2.773 10 0 AFAERN CC[Si]1(CC)CCC(=O)CC1 196534149 572703755 /nfs/dbraw/zinc/70/37/55/572703755.db2.gz BBESLPVOFKVTTJ-UHFFFAOYSA-N 0 0 170.328 2.838 10 0 AFAERN C[C@@H](CCCC1CCCCC1)C(N)=O 238422771 572702475 /nfs/dbraw/zinc/70/24/75/572702475.db2.gz SYKLNPOWYRJPQQ-JTQLQIEISA-N 0 0 197.322 2.858 10 0 AFAERN Cc1ccc(-c2cc(N)ccc2C)nc1 117542276 572702502 /nfs/dbraw/zinc/70/25/02/572702502.db2.gz NJFRMNZSOUVZRG-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC[C@@H](C)C[C@H](C)n1cncc1C=O 85195184 572702590 /nfs/dbraw/zinc/70/25/90/572702590.db2.gz OHLQODRPHGYZCC-ZJUUUORDSA-N 0 0 194.278 2.693 10 0 AFAERN C[C@H](O)CCCC(=O)[C@@H]1CCC[C@@H]1C 238429301 572702660 /nfs/dbraw/zinc/70/26/60/572702660.db2.gz PEBKGIDDHVQYDU-GARJFASQSA-N 0 0 198.306 2.543 10 0 AFAERN C[C@H](O)CCCC1=CCC[C@@H](C)O1 238429532 572702752 /nfs/dbraw/zinc/70/27/52/572702752.db2.gz DNVMZHIHZTWYMC-VHSXEESVSA-N 0 0 184.279 2.620 10 0 AFAERN C/C(=C\[Si](C)(C)C)CC[C@@H](C)O 238429125 572702807 /nfs/dbraw/zinc/70/28/07/572702807.db2.gz JPVZWRJSPGDVIT-AAXQSMANSA-N 0 0 186.371 2.971 10 0 AFAERN C[C@H](O)CCCC(=O)[C@H]1CCC[C@@H]1C 238429311 572702931 /nfs/dbraw/zinc/70/29/31/572702931.db2.gz PEBKGIDDHVQYDU-DCAQKATOSA-N 0 0 198.306 2.543 10 0 AFAERN C[C@H](O)CCCC1=CCC[C@H](C)O1 238429550 572702986 /nfs/dbraw/zinc/70/29/86/572702986.db2.gz DNVMZHIHZTWYMC-UWVGGRQHSA-N 0 0 184.279 2.620 10 0 AFAERN CCOCOc1ccc2occc2c1 117539889 572703137 /nfs/dbraw/zinc/70/31/37/572703137.db2.gz ISJLVVQDIUZTQX-UHFFFAOYSA-N 0 0 192.214 2.806 10 0 AFAERN CC[C@H](C)C[C@@H](C)n1cncc1C=O 85195181 572703371 /nfs/dbraw/zinc/70/33/71/572703371.db2.gz OHLQODRPHGYZCC-VHSXEESVSA-N 0 0 194.278 2.693 10 0 AFAERN Oc1ccc2cccc3c2c1CC3 196534724 572703446 /nfs/dbraw/zinc/70/34/46/572703446.db2.gz YFCHDVXZAXAVHJ-UHFFFAOYSA-N 0 0 170.211 2.644 10 0 AFAERN CC1(C)[C@H]2C=CC[C@@H]1CC(=O)C2 196532545 572703568 /nfs/dbraw/zinc/70/35/68/572703568.db2.gz NTILLTBIZWQFOU-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)C(=O)CC[C@H](C)CCO 238433613 572703575 /nfs/dbraw/zinc/70/35/75/572703575.db2.gz OXQJXAMPZGTTEK-VIFPVBQESA-N 0 0 172.268 2.637 10 0 AFAERN C=Cc1nc(-c2ccccc2C)no1 70581008 572704741 /nfs/dbraw/zinc/70/47/41/572704741.db2.gz JIYFLCAVYLUBOP-UHFFFAOYSA-N 0 0 186.214 2.688 10 0 AFAERN CC[C@H]1CCCC[C@]12CC(=O)CCO2 70569073 572703588 /nfs/dbraw/zinc/70/35/88/572703588.db2.gz BYQKCAOKXOPHLM-JQWIXIFHSA-N 0 0 196.290 2.705 10 0 AFAERN O=C1CC[C@H]1CCc1ccccc1 196539489 572703691 /nfs/dbraw/zinc/70/36/91/572703691.db2.gz WBNOQNNBFSXWBU-LLVKDONJSA-N 0 0 174.243 2.598 10 0 AFAERN CC(C)=C=CCC[C@H](C)CCO 238433671 572703761 /nfs/dbraw/zinc/70/37/61/572703761.db2.gz AOQMFNWWUACZJA-NSHDSACASA-N 0 0 168.280 2.906 10 0 AFAERN C=Cc1nc(C2CCCCC2)no1 70581025 572703915 /nfs/dbraw/zinc/70/39/15/572703915.db2.gz NJVCGAMIGNODHB-UHFFFAOYSA-N 0 0 178.235 2.760 10 0 AFAERN C=Cc1nc(-c2cccc(C)c2)no1 70581024 572703936 /nfs/dbraw/zinc/70/39/36/572703936.db2.gz MOVBFOPXDXKTBZ-UHFFFAOYSA-N 0 0 186.214 2.688 10 0 AFAERN CC[C@H]1CCCC[C@@]12CC(=O)CCO2 70569071 572704757 /nfs/dbraw/zinc/70/47/57/572704757.db2.gz BYQKCAOKXOPHLM-CMPLNLGQSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@H](F)CSCCCOC 307874936 572704135 /nfs/dbraw/zinc/70/41/35/572704135.db2.gz NFGFHFHHCXXAJF-QMMMGPOBSA-N 0 0 180.288 2.504 10 0 AFAERN CCCCC[C@@H](C)n1cncc1C=O 85194351 572704245 /nfs/dbraw/zinc/70/42/45/572704245.db2.gz YYFIQMNYSJYVQS-SNVBAGLBSA-N 0 0 194.278 2.837 10 0 AFAERN CC(C)CC[C@H](C)n1cncc1C=O 85194991 572704273 /nfs/dbraw/zinc/70/42/73/572704273.db2.gz UQFVQFHVVOIMQB-JTQLQIEISA-N 0 0 194.278 2.693 10 0 AFAERN CC[C@@H]1CCCC[C@]12CC(=O)CCO2 70569072 572704494 /nfs/dbraw/zinc/70/44/94/572704494.db2.gz BYQKCAOKXOPHLM-PWSUYJOCSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@H](C)C[C@H](C)n1cncc1C=O 85195187 572704507 /nfs/dbraw/zinc/70/45/07/572704507.db2.gz OHLQODRPHGYZCC-UWVGGRQHSA-N 0 0 194.278 2.693 10 0 AFAERN O=C1CC[C@@H]1CCc1ccccc1 196539496 572704658 /nfs/dbraw/zinc/70/46/58/572704658.db2.gz WBNOQNNBFSXWBU-NSHDSACASA-N 0 0 174.243 2.598 10 0 AFAERN CCC(CC)[C@@H](C)n1cncc1C=O 85194971 572704790 /nfs/dbraw/zinc/70/47/90/572704790.db2.gz WFXSIEJFLMEPMK-SECBINFHSA-N 0 0 194.278 2.693 10 0 AFAERN CCC(CC)[C@H](C)n1cncc1C=O 85194974 572704837 /nfs/dbraw/zinc/70/48/37/572704837.db2.gz WFXSIEJFLMEPMK-VIFPVBQESA-N 0 0 194.278 2.693 10 0 AFAERN CC[C@@H]1CCCC[C@@]1(O)C(F)(F)F 70568960 572704883 /nfs/dbraw/zinc/70/48/83/572704883.db2.gz TZTMDEOTBFBCNK-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@@H]1CCCC[C@H]1n1nccc1N 70568300 572704902 /nfs/dbraw/zinc/70/49/02/572704902.db2.gz KMBFCRMJUIZCDX-NXEZZACHSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@H]1CCCC[C@]1(O)C(F)(F)F 70568959 572704980 /nfs/dbraw/zinc/70/49/80/572704980.db2.gz TZTMDEOTBFBCNK-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@@H]1CCCC[C@]1(O)C(F)(F)F 70568958 572705025 /nfs/dbraw/zinc/70/50/25/572705025.db2.gz TZTMDEOTBFBCNK-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@@H](C)C[C@@H](C)n1cncc1C=O 85195178 572705110 /nfs/dbraw/zinc/70/51/10/572705110.db2.gz OHLQODRPHGYZCC-NXEZZACHSA-N 0 0 194.278 2.693 10 0 AFAERN Fc1cccc(OCOCC2CC2)c1 236170317 572705175 /nfs/dbraw/zinc/70/51/75/572705175.db2.gz PVAMHBNWWBXVTC-UHFFFAOYSA-N 0 0 196.221 2.589 10 0 AFAERN CC[C@H]1CCCC[C@@]1(O)C(F)(F)F 70568961 572705229 /nfs/dbraw/zinc/70/52/29/572705229.db2.gz TZTMDEOTBFBCNK-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN C[C@H](CCO)CCCC(C)(C)N=O 238433769 572705259 /nfs/dbraw/zinc/70/52/59/572705259.db2.gz KHRBJZMTADJIDO-VIFPVBQESA-N 0 0 187.283 2.720 10 0 AFAERN CC1=CCCCC(=O)CCC1 307875692 572705394 /nfs/dbraw/zinc/70/53/94/572705394.db2.gz USIUIHFRXOLFEF-UHFFFAOYSA-N 0 0 152.237 2.856 10 0 AFAERN CC(C)CC[C@@H](C)n1cncc1C=O 85194988 572705425 /nfs/dbraw/zinc/70/54/25/572705425.db2.gz UQFVQFHVVOIMQB-SNVBAGLBSA-N 0 0 194.278 2.693 10 0 AFAERN CCCCC[C@H](C)n1cncc1C=O 85194354 572705429 /nfs/dbraw/zinc/70/54/29/572705429.db2.gz YYFIQMNYSJYVQS-JTQLQIEISA-N 0 0 194.278 2.837 10 0 AFAERN C[C@H](O)CC[C@@H](C)Nc1ccccc1 238434444 572705686 /nfs/dbraw/zinc/70/56/86/572705686.db2.gz IPGOQEILSJBZJI-MNOVXSKESA-N 0 0 193.290 2.648 10 0 AFAERN C[C@H]1Cc2cc(Cl)cc(F)c2N1 713734874 572705759 /nfs/dbraw/zinc/70/57/59/572705759.db2.gz NJHOSPGRFUKBAJ-YFKPBYRVSA-N 0 0 185.629 2.836 10 0 AFAERN CC(C)Oc1ccc(NCCF)cc1 87774701 572705804 /nfs/dbraw/zinc/70/58/04/572705804.db2.gz AZENXXYAHOLPPM-UHFFFAOYSA-N 0 0 197.253 2.855 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1n1nccc1N 70568298 572705930 /nfs/dbraw/zinc/70/59/30/572705930.db2.gz KMBFCRMJUIZCDX-ZJUUUORDSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@H]1CCCC[C@@H]1n1nccc1N 70568299 572706147 /nfs/dbraw/zinc/70/61/47/572706147.db2.gz KMBFCRMJUIZCDX-UWVGGRQHSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@@H]1CCCC[C@@]12CC(=O)CCO2 70569070 572706336 /nfs/dbraw/zinc/70/63/36/572706336.db2.gz BYQKCAOKXOPHLM-ZYHUDNBSSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H](F)CSCCCOC 307874935 572706367 /nfs/dbraw/zinc/70/63/67/572706367.db2.gz NFGFHFHHCXXAJF-MRVPVSSYSA-N 0 0 180.288 2.504 10 0 AFAERN CCCCC[C@H](C)n1cncc1CO 85200329 572706733 /nfs/dbraw/zinc/70/67/33/572706733.db2.gz PILHWKXIZDVJTN-JTQLQIEISA-N 0 0 196.294 2.517 10 0 AFAERN C/C=C/C(=O)N(CCCCC)C(C)C 85210571 572706850 /nfs/dbraw/zinc/70/68/50/572706850.db2.gz CEAKRWKAGQWEHD-RMKNXTFCSA-N 0 0 197.322 2.990 10 0 AFAERN CCCCC[C@@H](C)n1cncc1CO 85200326 572706859 /nfs/dbraw/zinc/70/68/59/572706859.db2.gz PILHWKXIZDVJTN-SNVBAGLBSA-N 0 0 196.294 2.517 10 0 AFAERN CC[C@@H](C)SCCC[C@@H](C)O 307878855 572707099 /nfs/dbraw/zinc/70/70/99/572707099.db2.gz PGTZSNLDXHUVRU-RKDXNWHRSA-N 0 0 176.325 2.679 10 0 AFAERN C[C@@H]1Cc2cc(Cl)cc(F)c2N1 713734870 572707210 /nfs/dbraw/zinc/70/72/10/572707210.db2.gz NJHOSPGRFUKBAJ-RXMQYKEDSA-N 0 0 185.629 2.836 10 0 AFAERN CC(=O)C[C@@H](C)CCCC/C=C/CO 238424680 572707594 /nfs/dbraw/zinc/70/75/94/572707594.db2.gz IIZXSSVGOYSXBB-ZRQQLDRUSA-N 0 0 198.306 2.711 10 0 AFAERN CCC[C@H]1C[C@@]1(O)C1(CC)CC1 308097628 572711494 /nfs/dbraw/zinc/71/14/94/572711494.db2.gz DWDRRNMQLYLTBB-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H](C)SCCC[C@H](C)O 307878854 572707862 /nfs/dbraw/zinc/70/78/62/572707862.db2.gz PGTZSNLDXHUVRU-IUCAKERBSA-N 0 0 176.325 2.679 10 0 AFAERN COc1c(N)cc2c3c(cccc13)CC2 238425216 572708025 /nfs/dbraw/zinc/70/80/25/572708025.db2.gz YEYNDBJABXLEJJ-UHFFFAOYSA-N 0 0 199.253 2.529 10 0 AFAERN CO/C=C/CCC[C@@H](O)C(C)(C)C 238435575 572708123 /nfs/dbraw/zinc/70/81/23/572708123.db2.gz LKXMESQZPXIYNO-TTZKWOQHSA-N 0 0 186.295 2.724 10 0 AFAERN CCCCSC(=O)N(CC)CC 21990827 572708576 /nfs/dbraw/zinc/70/85/76/572708576.db2.gz LSBQREWKEAYTRU-UHFFFAOYSA-N 0 0 189.324 2.982 10 0 AFAERN C[C@H]1C=C(c2ccccc2)[C@@H]2CCC[N@H+]12 21990289 572709206 /nfs/dbraw/zinc/70/92/06/572709206.db2.gz OYGLTHIUYSDQQC-FZMZJTMJSA-N 0 0 199.297 2.937 10 0 AFAERN CC(=O)OCC/C(C)=C\C=C/Cl 307878869 572710047 /nfs/dbraw/zinc/71/00/47/572710047.db2.gz BRGVAGOPLYBMLL-IJXUMNLFSA-N 0 0 188.654 2.638 10 0 AFAERN CO/C=C/CC[C@H](O)c1ccccc1 238435677 572710262 /nfs/dbraw/zinc/71/02/62/572710262.db2.gz GNAKZOZKZFNELO-JXPAYYINSA-N 0 0 192.258 2.660 10 0 AFAERN C[C@H]1C=CCC(=O)c2ccccc2N1 238424784 572710316 /nfs/dbraw/zinc/71/03/16/572710316.db2.gz IMIJKLPVYTVBLA-VIFPVBQESA-N 0 0 187.242 2.630 10 0 AFAERN CC(=O)OCC/C(C)=C/C=C/Cl 307878878 572710385 /nfs/dbraw/zinc/71/03/85/572710385.db2.gz BRGVAGOPLYBMLL-PHQNLGIASA-N 0 0 188.654 2.638 10 0 AFAERN CO/C=C/CC[C@@H](O)c1ccccc1 238435652 572710393 /nfs/dbraw/zinc/71/03/93/572710393.db2.gz GNAKZOZKZFNELO-GCZGVDRJSA-N 0 0 192.258 2.660 10 0 AFAERN CCCOc1ccc(NCCF)cc1 87775074 572710517 /nfs/dbraw/zinc/71/05/17/572710517.db2.gz CIEGQFKSMLVWDQ-UHFFFAOYSA-N 0 0 197.253 2.857 10 0 AFAERN C/C(=C/Cl)CS[C@H]1CCCO1 307879671 572710882 /nfs/dbraw/zinc/71/08/82/572710882.db2.gz PPVDHXGWFJLGPZ-TVSKSKRASA-N 0 0 192.711 2.999 10 0 AFAERN CCOc1cc(N)cc(SCC)c1 87797160 572714572 /nfs/dbraw/zinc/71/45/72/572714572.db2.gz RNRCPLFLOBCWKI-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN CC/C=C(\CO)C[C@@H](C)CC 307876798 572710988 /nfs/dbraw/zinc/71/09/88/572710988.db2.gz NREQANGOARDFRH-LKJZUNMESA-N 0 0 156.269 2.751 10 0 AFAERN CC(=O)c1cc(C)ccc1OCCF 87775558 572711079 /nfs/dbraw/zinc/71/10/79/572711079.db2.gz YAFBGPLPTHKABM-UHFFFAOYSA-N 0 0 196.221 2.546 10 0 AFAERN CC(C)(C)c1cc(CO)c(C2CC2)o1 77082619 572711323 /nfs/dbraw/zinc/71/13/23/572711323.db2.gz LLHZBYNIDCHRJZ-UHFFFAOYSA-N 0 0 194.274 2.947 10 0 AFAERN CCCc1oc(C(C)C)cc1CO 77080459 572711208 /nfs/dbraw/zinc/71/12/08/572711208.db2.gz XKSKINWBWSKVHK-UHFFFAOYSA-N 0 0 182.263 2.848 10 0 AFAERN CC[C@H](C)C[C@H](C)/C=C\CO 307879952 572711427 /nfs/dbraw/zinc/71/14/27/572711427.db2.gz QQHQHFQKGNJDJR-NRAIBSHISA-N 0 0 156.269 2.607 10 0 AFAERN CC(=O)c1cc(C)oc1C1CC1 77082517 572711640 /nfs/dbraw/zinc/71/16/40/572711640.db2.gz NYIVEDSFPMRDAL-UHFFFAOYSA-N 0 0 164.204 2.668 10 0 AFAERN Cc1ccc(C[C@@H]2CCCO2)cc1 21991352 572711699 /nfs/dbraw/zinc/71/16/99/572711699.db2.gz NFVJBKXNUILGFU-LBPRGKRZSA-N 0 0 176.259 2.717 10 0 AFAERN CCC(=O)c1ccccc1OCCF 87775557 572711726 /nfs/dbraw/zinc/71/17/26/572711726.db2.gz YJGZIEATDTUXQB-UHFFFAOYSA-N 0 0 196.221 2.628 10 0 AFAERN C[C@H](CCOC(N)=O)CC(C)(C)C 238436403 572711972 /nfs/dbraw/zinc/71/19/72/572711972.db2.gz WVYAYNJZRYUPJV-MRVPVSSYSA-N 0 0 187.283 2.544 10 0 AFAERN CC(C)c1cc(CO)c(C2CC2)o1 77082527 572711995 /nfs/dbraw/zinc/71/19/95/572711995.db2.gz HPXDRAPXMUQCBY-UHFFFAOYSA-N 0 0 180.247 2.773 10 0 AFAERN CC(=O)c1ccc(C)cc1OCCF 87775563 572712162 /nfs/dbraw/zinc/71/21/62/572712162.db2.gz AONUZRVTDIMFLO-UHFFFAOYSA-N 0 0 196.221 2.546 10 0 AFAERN FCCCCCn1cccc1 307880025 572712262 /nfs/dbraw/zinc/71/22/62/572712262.db2.gz REIUYMAUWGNOQW-UHFFFAOYSA-N 0 0 155.216 2.628 10 0 AFAERN C/C(=C/Cl)CS[C@@H]1CCCO1 307879670 572712727 /nfs/dbraw/zinc/71/27/27/572712727.db2.gz PPVDHXGWFJLGPZ-GRKOMRHMSA-N 0 0 192.711 2.999 10 0 AFAERN COCc1oc(C(C)C)cc1C(C)=O 77086781 572712744 /nfs/dbraw/zinc/71/27/44/572712744.db2.gz IYMOQIRRMDSLEB-UHFFFAOYSA-N 0 0 196.246 2.752 10 0 AFAERN CC/C=C(/CO)C[C@@H](C)CC 307876797 572712827 /nfs/dbraw/zinc/71/28/27/572712827.db2.gz NREQANGOARDFRH-CMWXKVOJSA-N 0 0 156.269 2.751 10 0 AFAERN CCCc1oc(C)cc1C(C)=O 77080449 572712831 /nfs/dbraw/zinc/71/28/31/572712831.db2.gz NYXODECYZVQPNC-UHFFFAOYSA-N 0 0 166.220 2.743 10 0 AFAERN C[C@H](O)CC[C@H](C)Nc1ccccc1 238435136 572712990 /nfs/dbraw/zinc/71/29/90/572712990.db2.gz IPGOQEILSJBZJI-QWRGUYRKSA-N 0 0 193.290 2.648 10 0 AFAERN CC[C@H](C)C[C@H](C)/C=C/CO 307879951 572713214 /nfs/dbraw/zinc/71/32/14/572713214.db2.gz QQHQHFQKGNJDJR-FQNVXPIYSA-N 0 0 156.269 2.607 10 0 AFAERN CCC[C@@H]1C[C@]1(O)C1(CC)CC1 308097627 572713232 /nfs/dbraw/zinc/71/32/32/572713232.db2.gz DWDRRNMQLYLTBB-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN COCc1oc(C(C)(C)C)cc1C=O 77086793 572713261 /nfs/dbraw/zinc/71/32/61/572713261.db2.gz XQKANHOQMKQUSB-UHFFFAOYSA-N 0 0 196.246 2.536 10 0 AFAERN CC/C=C\C=C\Br 167266874 572713409 /nfs/dbraw/zinc/71/34/09/572713409.db2.gz ADPNZTCDHSGHOG-DNVGVPOPSA-N 0 0 161.042 2.861 10 0 AFAERN CC(C)/C=C(\c1ccccc1)[N+](=O)[O-] 54685072 572713689 /nfs/dbraw/zinc/71/36/89/572713689.db2.gz PEFQFDMTYZJJFT-DHZHZOJOSA-N 0 0 191.230 2.960 10 0 AFAERN CC(=O)NC1(C)C(C)=C(C)C(C)=C1C 196939403 572716636 /nfs/dbraw/zinc/71/66/36/572716636.db2.gz QAJRDYOZESKPHP-UHFFFAOYSA-N 0 0 193.290 2.568 10 0 AFAERN CC[P@H](=O)OCc1ccccc1 21993422 572713748 /nfs/dbraw/zinc/71/37/48/572713748.db2.gz PRYYDUAZDZMAGE-UHFFFAOYSA-N 0 0 184.175 2.698 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)C1(CC)CC1 308097626 572713999 /nfs/dbraw/zinc/71/39/99/572713999.db2.gz DWDRRNMQLYLTBB-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN CCC[C@H]1C[C@]1(O)C1(CC)CC1 308097625 572714067 /nfs/dbraw/zinc/71/40/67/572714067.db2.gz DWDRRNMQLYLTBB-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H](O)[C@H](C)CCCCCF 307878289 572714827 /nfs/dbraw/zinc/71/48/27/572714827.db2.gz PAXNFAYUTUHFGW-RKDXNWHRSA-N 0 0 162.248 2.533 10 0 AFAERN CCC[C@@H]1CC[C@H](O)[C@H](CCF)C1 87777011 572714909 /nfs/dbraw/zinc/71/49/09/572714909.db2.gz UDJLQJUVDYGBBI-MXWKQRLJSA-N 0 0 188.286 2.923 10 0 AFAERN CC[C@H](CCCCF)[C@H](C)O 307881066 572715139 /nfs/dbraw/zinc/71/51/39/572715139.db2.gz QQMMTARVHISSIJ-DTWKUNHWSA-N 0 0 162.248 2.533 10 0 AFAERN C[C@H](O)[C@H](C)CCCCCF 307878285 572715232 /nfs/dbraw/zinc/71/52/32/572715232.db2.gz PAXNFAYUTUHFGW-BDAKNGLRSA-N 0 0 162.248 2.533 10 0 AFAERN C[C@H]1CC[C@]2(CC(=O)CCO2)[C@@H](C)C1 222403989 572715304 /nfs/dbraw/zinc/71/53/04/572715304.db2.gz BLLKXQQWXNAPMG-NHCYSSNCSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1CCC[C@H](SC[C@@H](C)O)C1 54692184 572715488 /nfs/dbraw/zinc/71/54/88/572715488.db2.gz VPQWPRDNAUWUNS-AEJSXWLSSA-N 0 0 188.336 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/nfs/dbraw/zinc/71/62/84/572716284.db2.gz QQMMTARVHISSIJ-IUCAKERBSA-N 0 0 162.248 2.533 10 0 AFAERN CC(=O)c1cccc(SCCF)c1 87777392 572716285 /nfs/dbraw/zinc/71/62/85/572716285.db2.gz LSLFQJPVVYMLBR-UHFFFAOYSA-N 0 0 198.262 2.951 10 0 AFAERN CC[C@H](CCCCF)[C@@H](C)O 307881069 572716370 /nfs/dbraw/zinc/71/63/70/572716370.db2.gz QQMMTARVHISSIJ-RKDXNWHRSA-N 0 0 162.248 2.533 10 0 AFAERN CCc1ccc(OCCF)cc1 87777444 572716380 /nfs/dbraw/zinc/71/63/80/572716380.db2.gz YMGFWIDTBPXEBN-UHFFFAOYSA-N 0 0 168.211 2.597 10 0 AFAERN CCN[C@H](C(CC)CC)C(F)(F)F 85276958 572716381 /nfs/dbraw/zinc/71/63/81/572716381.db2.gz RZPDLLRBYMHDJL-MRVPVSSYSA-N 0 0 197.244 2.963 10 0 AFAERN CCN[C@@](C)(CC(C)C)C(F)(F)F 85277137 572716414 /nfs/dbraw/zinc/71/64/14/572716414.db2.gz WSKXCCJZOMUFAX-QMMMGPOBSA-N 0 0 197.244 2.963 10 0 AFAERN CCCN[C@H](CCC)C(F)(F)F 85277827 572716650 /nfs/dbraw/zinc/71/66/50/572716650.db2.gz UAPDNZBUDZKPOD-SSDOTTSWSA-N 0 0 183.217 2.717 10 0 AFAERN CCC1(C(=O)[C@@H](C)CSC)CC1 308099084 572716707 /nfs/dbraw/zinc/71/67/07/572716707.db2.gz FPBGPGJIQFVOIM-QMMMGPOBSA-N 0 0 186.320 2.745 10 0 AFAERN CCC[C@H](C)[C@@H](NCC)C(F)(F)F 85277394 572716710 /nfs/dbraw/zinc/71/67/10/572716710.db2.gz NLOHLGAWJCRDQA-JGVFFNPUSA-N 0 0 197.244 2.963 10 0 AFAERN CC[C@H]1CC[C@H](n2nc(C)cc2N)C1 70644327 572716734 /nfs/dbraw/zinc/71/67/34/572716734.db2.gz XPIZPZBDAHPDBL-UWVGGRQHSA-N 0 0 193.294 2.525 10 0 AFAERN CCCCCc1onc(N)c1CC 85278680 572716744 /nfs/dbraw/zinc/71/67/44/572716744.db2.gz BPOQRYPOTKJHFG-UHFFFAOYSA-N 0 0 182.267 2.552 10 0 AFAERN CCN[C@H](CC(C)C)C(F)(F)F 85277199 572716789 /nfs/dbraw/zinc/71/67/89/572716789.db2.gz YJRYCZDRHAKIFJ-SSDOTTSWSA-N 0 0 183.217 2.573 10 0 AFAERN CC[C@](NC)(C(C)C)C(F)(F)F 85276417 572716882 /nfs/dbraw/zinc/71/68/82/572716882.db2.gz LXQIESSIAKNODC-ZETCQYMHSA-N 0 0 183.217 2.573 10 0 AFAERN CCCN[C@H]([C@@H](C)CC)C(F)(F)F 85277772 572716947 /nfs/dbraw/zinc/71/69/47/572716947.db2.gz AJHBAOBYCIYFOA-JGVFFNPUSA-N 0 0 197.244 2.963 10 0 AFAERN C/C=C\CCNC(=O)C[C@@H](C)CC 308098838 572716981 /nfs/dbraw/zinc/71/69/81/572716981.db2.gz CHQOVBRWDXUVHF-OAQKJQOQSA-N 0 0 183.295 2.505 10 0 AFAERN C[C@]12CCCC(=O)[C@@H]1CCC2 21994248 572717002 /nfs/dbraw/zinc/71/70/02/572717002.db2.gz FFUDPYOCQXOTSL-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN CCCSc1cc(N)cc(OC)c1 87797170 572717029 /nfs/dbraw/zinc/71/70/29/572717029.db2.gz CZDRBTBBAGOFGL-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN CC(=O)c1ccc(SCCF)cc1 87777391 572717059 /nfs/dbraw/zinc/71/70/59/572717059.db2.gz NGTFAFMRBNVILY-UHFFFAOYSA-N 0 0 198.262 2.951 10 0 AFAERN CCN[C@@H](CC(C)C)C(F)(F)F 85277198 572717065 /nfs/dbraw/zinc/71/70/65/572717065.db2.gz YJRYCZDRHAKIFJ-ZETCQYMHSA-N 0 0 183.217 2.573 10 0 AFAERN CCN[C@H](C1CCCC1)C(F)(F)F 85277072 572717117 /nfs/dbraw/zinc/71/71/17/572717117.db2.gz PTZNKIWNMLRQOA-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN CCOc1cccc(C(C)(C)OC)c1 116484532 572717143 /nfs/dbraw/zinc/71/71/43/572717143.db2.gz BTYIARQASNBLNN-UHFFFAOYSA-N 0 0 194.274 2.967 10 0 AFAERN CCc1ccccc1OCCF 87777445 572717163 /nfs/dbraw/zinc/71/71/63/572717163.db2.gz GLMUHOGZWQRMDN-UHFFFAOYSA-N 0 0 168.211 2.597 10 0 AFAERN CCCCOC(=O)C1(CC)CC1 308099104 572717193 /nfs/dbraw/zinc/71/71/93/572717193.db2.gz FQOSNPAZTJDJAX-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN CCCN[C@@](C)(C1CC1)C(F)(F)F 85277715 572717263 /nfs/dbraw/zinc/71/72/63/572717263.db2.gz VVXFLFIOVLQZFP-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN CC1=CCCC(C)(C)[C@]12CC[C@H](O)O2 196939052 572717281 /nfs/dbraw/zinc/71/72/81/572717281.db2.gz LGGYUASMCMLPAR-PWSUYJOCSA-N 0 0 196.290 2.620 10 0 AFAERN CCC[C@](C)(NCC)C(F)(F)F 85276964 572717303 /nfs/dbraw/zinc/71/73/03/572717303.db2.gz KAFLVJJHKRHTSQ-ZETCQYMHSA-N 0 0 183.217 2.717 10 0 AFAERN CC[C@H](C)[C@@](C)(NC)C(F)(F)F 85276662 572717309 /nfs/dbraw/zinc/71/73/09/572717309.db2.gz JRRPIQPLOPLGHY-NKWVEPMBSA-N 0 0 183.217 2.573 10 0 AFAERN CCC[C@H](C)[C@H](NCC)C(F)(F)F 85277390 572717322 /nfs/dbraw/zinc/71/73/22/572717322.db2.gz NLOHLGAWJCRDQA-YUMQZZPRSA-N 0 0 197.244 2.963 10 0 AFAERN CC1=CCCC(C)(C)[C@]12CC[C@@H](O)O2 196939071 572717365 /nfs/dbraw/zinc/71/73/65/572717365.db2.gz LGGYUASMCMLPAR-JQWIXIFHSA-N 0 0 196.290 2.620 10 0 AFAERN CC(C)Cc1onc(N)c1CC(C)C 85279006 572717356 /nfs/dbraw/zinc/71/73/56/572717356.db2.gz KTJNEKZFFZDFFO-UHFFFAOYSA-N 0 0 196.294 2.654 10 0 AFAERN CC[C@@](NC)(C(C)C)C(F)(F)F 85276416 572717434 /nfs/dbraw/zinc/71/74/34/572717434.db2.gz LXQIESSIAKNODC-SSDOTTSWSA-N 0 0 183.217 2.573 10 0 AFAERN CCC[C@@](C)(NCC)C(F)(F)F 85276966 572717456 /nfs/dbraw/zinc/71/74/56/572717456.db2.gz KAFLVJJHKRHTSQ-SSDOTTSWSA-N 0 0 183.217 2.717 10 0 AFAERN CN[C@](C)(CCC(C)C)C(F)(F)F 85276414 572717461 /nfs/dbraw/zinc/71/74/61/572717461.db2.gz QHTOXESXFZOMLC-MRVPVSSYSA-N 0 0 197.244 2.963 10 0 AFAERN CCN[C@@](C)([C@@H](C)CC)C(F)(F)F 85277290 572717469 /nfs/dbraw/zinc/71/74/69/572717469.db2.gz KXFMHBGZUFADDK-YUMQZZPRSA-N 0 0 197.244 2.963 10 0 AFAERN CCN[C@](CC)(C(C)C)C(F)(F)F 85277035 572717493 /nfs/dbraw/zinc/71/74/93/572717493.db2.gz IWZFAJPKFMLJOB-MRVPVSSYSA-N 0 0 197.244 2.963 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)c2[nH]c3ccccc3c21 238437504 572717586 /nfs/dbraw/zinc/71/75/86/572717586.db2.gz UMKXKHMMOHCIKM-JGVFFNPUSA-N 0 0 199.253 2.958 10 0 AFAERN CCCN[C@@](C)(C(C)C)C(F)(F)F 85277720 572717639 /nfs/dbraw/zinc/71/76/39/572717639.db2.gz VYUZCZIDMJQBEV-QMMMGPOBSA-N 0 0 197.244 2.963 10 0 AFAERN CC[C@H](C)c1onc(N)c1CC(C)C 85278903 572717662 /nfs/dbraw/zinc/71/76/62/572717662.db2.gz QJTHFTPGBLUMFH-QMMMGPOBSA-N 0 0 196.294 2.969 10 0 AFAERN CCN[C@@](CC)(C(C)C)C(F)(F)F 85277036 572717689 /nfs/dbraw/zinc/71/76/89/572717689.db2.gz IWZFAJPKFMLJOB-QMMMGPOBSA-N 0 0 197.244 2.963 10 0 AFAERN CCCN[C@@H]([C@H](C)CC)C(F)(F)F 85277774 572717787 /nfs/dbraw/zinc/71/77/87/572717787.db2.gz AJHBAOBYCIYFOA-SFYZADRCSA-N 0 0 197.244 2.963 10 0 AFAERN CCCN[C@H]([C@H](C)CC)C(F)(F)F 85277775 572717902 /nfs/dbraw/zinc/71/79/02/572717902.db2.gz AJHBAOBYCIYFOA-HTQZYQBOSA-N 0 0 197.244 2.963 10 0 AFAERN CCN[C@](C)(C(C)C)C(F)(F)F 85277218 572718018 /nfs/dbraw/zinc/71/80/18/572718018.db2.gz VWLDJPSKIQVCPQ-SSDOTTSWSA-N 0 0 183.217 2.573 10 0 AFAERN CCN[C@@](CC)(C1CC1)C(F)(F)F 85277448 572718347 /nfs/dbraw/zinc/71/83/47/572718347.db2.gz KMHWHZNVZWUTQX-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN CCCN[C@@H](C(C)C)C(F)(F)F 85277724 572718081 /nfs/dbraw/zinc/71/80/81/572718081.db2.gz WGBPSUHJMWVZTL-ZETCQYMHSA-N 0 0 183.217 2.573 10 0 AFAERN CCN[C@](C)([C@H](C)CC)C(F)(F)F 85277294 572718090 /nfs/dbraw/zinc/71/80/90/572718090.db2.gz KXFMHBGZUFADDK-HTQZYQBOSA-N 0 0 197.244 2.963 10 0 AFAERN CC[C@@H]1CC[C@@H](n2nc(C)cc2N)C1 70644328 572718189 /nfs/dbraw/zinc/71/81/89/572718189.db2.gz XPIZPZBDAHPDBL-NXEZZACHSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@@H]1CC[C@H](n2nc(C)cc2N)C1 70644326 572718199 /nfs/dbraw/zinc/71/81/99/572718199.db2.gz XPIZPZBDAHPDBL-ZJUUUORDSA-N 0 0 193.294 2.525 10 0 AFAERN C[C@H](O)c1ccc2cccc3c2c1CC3 238440946 572718227 /nfs/dbraw/zinc/71/82/27/572718227.db2.gz JMMYXBGUFXFIFW-VIFPVBQESA-N 0 0 198.265 2.992 10 0 AFAERN CCNC(CC)(CC)C(F)(F)F 85276934 572718314 /nfs/dbraw/zinc/71/83/14/572718314.db2.gz ZQPGKTHESZDUEO-UHFFFAOYSA-N 0 0 183.217 2.717 10 0 AFAERN CCN[C@@H](CC(C)(C)C)C(F)(F)F 85276971 572718322 /nfs/dbraw/zinc/71/83/22/572718322.db2.gz TZYYHCUVZAFUKZ-ZETCQYMHSA-N 0 0 197.244 2.963 10 0 AFAERN CCCN[C@](C)(C(C)C)C(F)(F)F 85277722 572718468 /nfs/dbraw/zinc/71/84/68/572718468.db2.gz VYUZCZIDMJQBEV-MRVPVSSYSA-N 0 0 197.244 2.963 10 0 AFAERN CCCN[C@](C)(C1CC1)C(F)(F)F 85277716 572718474 /nfs/dbraw/zinc/71/84/74/572718474.db2.gz VVXFLFIOVLQZFP-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN CCC[C@H](C)c1onc(N)c1CC 85278804 572718499 /nfs/dbraw/zinc/71/84/99/572718499.db2.gz XLSGAZGVECHLSU-ZETCQYMHSA-N 0 0 182.267 2.723 10 0 AFAERN CCN[C@](C)([C@@H](C)CC)C(F)(F)F 85277296 572718827 /nfs/dbraw/zinc/71/88/27/572718827.db2.gz KXFMHBGZUFADDK-JGVFFNPUSA-N 0 0 197.244 2.963 10 0 AFAERN CCC[C@@H](C)[C@@H](NCC)C(F)(F)F 85277392 572718517 /nfs/dbraw/zinc/71/85/17/572718517.db2.gz NLOHLGAWJCRDQA-HTQZYQBOSA-N 0 0 197.244 2.963 10 0 AFAERN CCCNC1(C(F)(F)F)CCCC1 85277867 572718573 /nfs/dbraw/zinc/71/85/73/572718573.db2.gz QODIGUSNUKAQTM-UHFFFAOYSA-N 0 0 195.228 2.861 10 0 AFAERN CCc1c(N)noc1C(CC)CC 85278691 572718594 /nfs/dbraw/zinc/71/85/94/572718594.db2.gz YMGXCYRRHQHRGU-UHFFFAOYSA-N 0 0 182.267 2.723 10 0 AFAERN CCN[C@@](C)([C@H](C)CC)C(F)(F)F 85277288 572718679 /nfs/dbraw/zinc/71/86/79/572718679.db2.gz KXFMHBGZUFADDK-SFYZADRCSA-N 0 0 197.244 2.963 10 0 AFAERN CCCC[C@@H](NCC)C(F)(F)F 85277018 572718703 /nfs/dbraw/zinc/71/87/03/572718703.db2.gz IXZNTUDUVLKZAI-SSDOTTSWSA-N 0 0 183.217 2.717 10 0 AFAERN CCN[C@H]([C@@H](C)CC)C(F)(F)F 85277286 572718772 /nfs/dbraw/zinc/71/87/72/572718772.db2.gz YAEPODOXLLZEJP-NKWVEPMBSA-N 0 0 183.217 2.573 10 0 AFAERN CCC1(C(=O)[C@H](C)CSC)CC1 308099083 572718803 /nfs/dbraw/zinc/71/88/03/572718803.db2.gz FPBGPGJIQFVOIM-MRVPVSSYSA-N 0 0 186.320 2.745 10 0 AFAERN CCN[C@@](C)(C(C)C)C(F)(F)F 85277216 572718901 /nfs/dbraw/zinc/71/89/01/572718901.db2.gz VWLDJPSKIQVCPQ-ZETCQYMHSA-N 0 0 183.217 2.573 10 0 AFAERN CC1=CCCC(C)(C)[C@@]12CC[C@@H](O)O2 196939062 572718965 /nfs/dbraw/zinc/71/89/65/572718965.db2.gz LGGYUASMCMLPAR-CMPLNLGQSA-N 0 0 196.290 2.620 10 0 AFAERN CC[C@@H](C)[C@](C)(NC)C(F)(F)F 85276656 572718997 /nfs/dbraw/zinc/71/89/97/572718997.db2.gz JRRPIQPLOPLGHY-RQJHMYQMSA-N 0 0 183.217 2.573 10 0 AFAERN C[C@@H]1CCC=C[C@H]1CCCCO 238443084 572719201 /nfs/dbraw/zinc/71/92/01/572719201.db2.gz YTQPOPZWKGZGCC-MNOVXSKESA-N 0 0 168.280 2.751 10 0 AFAERN CCCN[C@H](C(C)C)C(F)(F)F 85277727 572719219 /nfs/dbraw/zinc/71/92/19/572719219.db2.gz WGBPSUHJMWVZTL-SSDOTTSWSA-N 0 0 183.217 2.573 10 0 AFAERN CCCCc1onc(N)c1CC(C)C 85279001 572719233 /nfs/dbraw/zinc/71/92/33/572719233.db2.gz MBOJIHITSPIHRZ-UHFFFAOYSA-N 0 0 196.294 2.798 10 0 AFAERN CC1=CCCC(C)(C)[C@@]12CC[C@H](O)O2 196939044 572719272 /nfs/dbraw/zinc/71/92/72/572719272.db2.gz LGGYUASMCMLPAR-ZYHUDNBSSA-N 0 0 196.290 2.620 10 0 AFAERN CC[C@@H](C)[C@@](C)(NC)C(F)(F)F 85276661 572719283 /nfs/dbraw/zinc/71/92/83/572719283.db2.gz JRRPIQPLOPLGHY-RNFRBKRXSA-N 0 0 183.217 2.573 10 0 AFAERN Cc1ccc(C)n1[C@@H]1C[C@H]2CC[C@@H]1O2 87792310 572719339 /nfs/dbraw/zinc/71/93/39/572719339.db2.gz PFSWWNDNCIHAEU-UTUOFQBUSA-N 0 0 191.274 2.597 10 0 AFAERN CN[C@@](C)(CCC(C)C)C(F)(F)F 85276412 572719390 /nfs/dbraw/zinc/71/93/90/572719390.db2.gz QHTOXESXFZOMLC-QMMMGPOBSA-N 0 0 197.244 2.963 10 0 AFAERN CC[C@@H](C)c1onc(N)c1CC(C)C 85278901 572719395 /nfs/dbraw/zinc/71/93/95/572719395.db2.gz QJTHFTPGBLUMFH-MRVPVSSYSA-N 0 0 196.294 2.969 10 0 AFAERN C[C@H]1C(=O)[C@H](C)c2c1[nH]c1ccccc21 238437864 572720055 /nfs/dbraw/zinc/72/00/55/572720055.db2.gz UMKXKHMMOHCIKM-HTQZYQBOSA-N 0 0 199.253 2.958 10 0 AFAERN CCCC[C@H](NCC)C(F)(F)F 85277015 572719434 /nfs/dbraw/zinc/71/94/34/572719434.db2.gz IXZNTUDUVLKZAI-ZETCQYMHSA-N 0 0 183.217 2.717 10 0 AFAERN CCCN[C@H](CC(C)C)C(F)(F)F 85277707 572719496 /nfs/dbraw/zinc/71/94/96/572719496.db2.gz VBRCVNILWYPIPF-MRVPVSSYSA-N 0 0 197.244 2.963 10 0 AFAERN CCN[C@H](CC(C)(C)C)C(F)(F)F 85276973 572719569 /nfs/dbraw/zinc/71/95/69/572719569.db2.gz TZYYHCUVZAFUKZ-SSDOTTSWSA-N 0 0 197.244 2.963 10 0 AFAERN CCN[C@](CC)(C1CC1)C(F)(F)F 85277446 572719573 /nfs/dbraw/zinc/71/95/73/572719573.db2.gz KMHWHZNVZWUTQX-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN CCN[C@](C)(CC(C)C)C(F)(F)F 85277139 572719625 /nfs/dbraw/zinc/71/96/25/572719625.db2.gz WSKXCCJZOMUFAX-MRVPVSSYSA-N 0 0 197.244 2.963 10 0 AFAERN CCN[C@@H](C(CC)CC)C(F)(F)F 85276956 572719712 /nfs/dbraw/zinc/71/97/12/572719712.db2.gz RZPDLLRBYMHDJL-QMMMGPOBSA-N 0 0 197.244 2.963 10 0 AFAERN CC[C@H]1CC[C@@H](n2nc(C)cc2N)C1 70644329 572719745 /nfs/dbraw/zinc/71/97/45/572719745.db2.gz XPIZPZBDAHPDBL-VHSXEESVSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@@H](C)n1nc(C)c(C(C)=O)c1C 54715997 572719799 /nfs/dbraw/zinc/71/97/99/572719799.db2.gz YEPXUDLLWZWDKR-SSDOTTSWSA-N 0 0 194.278 2.674 10 0 AFAERN CCN[C@H]([C@H](C)CC)C(F)(F)F 85277284 572719853 /nfs/dbraw/zinc/71/98/53/572719853.db2.gz YAEPODOXLLZEJP-RNFRBKRXSA-N 0 0 183.217 2.573 10 0 AFAERN CC[C@H](C)n1nc(C)c(C(C)=O)c1C 54715998 572719925 /nfs/dbraw/zinc/71/99/25/572719925.db2.gz YEPXUDLLWZWDKR-ZETCQYMHSA-N 0 0 194.278 2.674 10 0 AFAERN CCCC[C@H](CC)c1cc(N)no1 85278534 572719927 /nfs/dbraw/zinc/71/99/27/572719927.db2.gz OMHOOJFZIGTMEA-QMMMGPOBSA-N 0 0 182.267 2.941 10 0 AFAERN CCCC[C@@H](CC)c1cc(N)no1 85278532 572719932 /nfs/dbraw/zinc/71/99/32/572719932.db2.gz OMHOOJFZIGTMEA-MRVPVSSYSA-N 0 0 182.267 2.941 10 0 AFAERN CCC[C@@H](C)[C@H](NCC)C(F)(F)F 85277387 572719958 /nfs/dbraw/zinc/71/99/58/572719958.db2.gz NLOHLGAWJCRDQA-SFYZADRCSA-N 0 0 197.244 2.963 10 0 AFAERN CCN[C@@H]([C@H](C)CC)C(F)(F)F 85277279 572719983 /nfs/dbraw/zinc/71/99/83/572719983.db2.gz YAEPODOXLLZEJP-RQJHMYQMSA-N 0 0 183.217 2.573 10 0 AFAERN C[C@H]1CC[C@H](CCCCCO)C(=O)C1 238441268 572720080 /nfs/dbraw/zinc/72/00/80/572720080.db2.gz MQYZKTIPIASYEY-QWRGUYRKSA-N 0 0 198.306 2.544 10 0 AFAERN C[C@@H]1CCC=C[C@@H]1CCCCO 238442884 572719992 /nfs/dbraw/zinc/71/99/92/572719992.db2.gz YTQPOPZWKGZGCC-GHMZBOCLSA-N 0 0 168.280 2.751 10 0 AFAERN CCCN[C@@H](CC(C)C)C(F)(F)F 85277706 572719999 /nfs/dbraw/zinc/71/99/99/572719999.db2.gz VBRCVNILWYPIPF-QMMMGPOBSA-N 0 0 197.244 2.963 10 0 AFAERN CCN[C@@H](C1CCCC1)C(F)(F)F 85277069 572720011 /nfs/dbraw/zinc/72/00/11/572720011.db2.gz PTZNKIWNMLRQOA-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN CC1=C[C@H](C)c2ccc3nccn3c2N1 238442029 572720012 /nfs/dbraw/zinc/72/00/12/572720012.db2.gz OIODITCSAPHFMO-QMMMGPOBSA-N 0 0 199.257 2.767 10 0 AFAERN CC[C@H](C)[C@](C)(NC)C(F)(F)F 85276658 572720032 /nfs/dbraw/zinc/72/00/32/572720032.db2.gz JRRPIQPLOPLGHY-BQBZGAKWSA-N 0 0 183.217 2.573 10 0 AFAERN CCCN[C@@H]([C@@H](C)CC)C(F)(F)F 85277770 572720175 /nfs/dbraw/zinc/72/01/75/572720175.db2.gz AJHBAOBYCIYFOA-YUMQZZPRSA-N 0 0 197.244 2.963 10 0 AFAERN C/C=C\COc1cc(N)ccc1Cl 308099724 572720451 /nfs/dbraw/zinc/72/04/51/572720451.db2.gz DKZMFDXPZUTAAE-IHWYPQMZSA-N 0 0 197.665 2.877 10 0 AFAERN CCC(=O)c1cnn(C2CCCC2)c1 54716232 572720659 /nfs/dbraw/zinc/72/06/59/572720659.db2.gz UPBKJZSGSIGBAR-UHFFFAOYSA-N 0 0 192.262 2.591 10 0 AFAERN CC(=O)NCC[C@H](C)CCC=C(C)C 238438947 572720644 /nfs/dbraw/zinc/72/06/44/572720644.db2.gz VOTREMKPCIKCAK-LLVKDONJSA-N 0 0 197.322 2.895 10 0 AFAERN Cc1ccc(C)n1[C@H]1C[C@H]2CC[C@@H]1O2 87792311 572720983 /nfs/dbraw/zinc/72/09/83/572720983.db2.gz PFSWWNDNCIHAEU-WOPDTQHZSA-N 0 0 191.274 2.597 10 0 AFAERN CC(C)C1(O)CCC(C)(C)CC1 70654543 572721157 /nfs/dbraw/zinc/72/11/57/572721157.db2.gz XADYQPWMKHOGEI-UHFFFAOYSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(C)(C)CS[C@@H](C)CO 307884933 572722285 /nfs/dbraw/zinc/72/22/85/572722285.db2.gz UGTUGUKKRWDLAY-QMMMGPOBSA-N 0 0 176.325 2.537 10 0 AFAERN CCC(C)(C)CS[C@H](C)CO 307884932 572722198 /nfs/dbraw/zinc/72/21/98/572722198.db2.gz UGTUGUKKRWDLAY-MRVPVSSYSA-N 0 0 176.325 2.537 10 0 AFAERN C[C@H](O[C@H](C)[C@H](C)O)c1ccccc1 238456460 572722882 /nfs/dbraw/zinc/72/28/82/572722882.db2.gz JWPVVKJPTHYVDN-AXFHLTTASA-N 0 0 194.274 2.534 10 0 AFAERN C/C=C\COc1cccc(C)c1N 308099793 572723095 /nfs/dbraw/zinc/72/30/95/572723095.db2.gz FJSQAFZVOPXRGF-ARJAWSKDSA-N 0 0 177.247 2.532 10 0 AFAERN Cc1ccn([C@@H](C)c2ccccc2)n1 70687942 572725144 /nfs/dbraw/zinc/72/51/44/572725144.db2.gz VPXOJQDSNWWXMK-NSHDSACASA-N 0 0 186.258 2.801 10 0 AFAERN CCCCOc1cc(N)cc(F)c1 87800219 572723320 /nfs/dbraw/zinc/72/33/20/572723320.db2.gz WOPXGJOQPLHVBZ-UHFFFAOYSA-N 0 0 183.226 2.587 10 0 AFAERN CNc1cccc(Nc2ccccc2)[nH+]1 87801554 572723326 /nfs/dbraw/zinc/72/33/26/572723326.db2.gz NNTMPWFWJFEWAY-UHFFFAOYSA-N 0 0 199.257 2.867 10 0 AFAERN CC(=O)C[C@@H](O)[C@H](C)CC(C)=C(C)C 238453771 572723346 /nfs/dbraw/zinc/72/33/46/572723346.db2.gz ZISGGKFVNVEZLE-ZYHUDNBSSA-N 0 0 198.306 2.709 10 0 AFAERN C=CCOc1c(C)ccc(C)c1C=O 238453162 572723388 /nfs/dbraw/zinc/72/33/88/572723388.db2.gz JUQGGTBNLURKOI-UHFFFAOYSA-N 0 0 190.242 2.681 10 0 AFAERN CC(C)CCOc1cc(N)cc(F)c1 87800098 572723529 /nfs/dbraw/zinc/72/35/29/572723529.db2.gz KPUCAOUFNLALOC-UHFFFAOYSA-N 0 0 197.253 2.833 10 0 AFAERN O[C@H]1CCCCc2c(F)ccc(F)c21 54743042 572723689 /nfs/dbraw/zinc/72/36/89/572723689.db2.gz HRWLCIFCQWQPAE-JTQLQIEISA-N 0 0 198.212 2.725 10 0 AFAERN CCCCCOc1cc(N)cc(F)c1 87800221 572723782 /nfs/dbraw/zinc/72/37/82/572723782.db2.gz VLWCXUSFBHJVAO-UHFFFAOYSA-N 0 0 197.253 2.977 10 0 AFAERN CC(=O)C[C@H](C)OCCC(C)(C)C 85319508 572727272 /nfs/dbraw/zinc/72/72/72/572727272.db2.gz GZSBNOFGRGRLJQ-JTQLQIEISA-N 0 0 186.295 2.807 10 0 AFAERN C[Si](C)(C)/C=C/CCCCCO 238451760 572724660 /nfs/dbraw/zinc/72/46/60/572724660.db2.gz QUGXAXKGSSXMEP-CSKARUKUSA-N 0 0 186.371 2.973 10 0 AFAERN CC[NH2+]Cc1c(CC)oc(C)c1C 77088727 572724960 /nfs/dbraw/zinc/72/49/60/572724960.db2.gz GVWAFQRVAIVNCP-UHFFFAOYSA-N 0 0 181.279 2.568 10 0 AFAERN C[C@H](C[C@H]1CNC(=O)C1)CC(C)(C)C 238451922 572725238 /nfs/dbraw/zinc/72/52/38/572725238.db2.gz KISKSIJSDDUSQL-NXEZZACHSA-N 0 0 197.322 2.585 10 0 AFAERN Cc1ccn([C@H](C)c2ccccc2)n1 70687943 572725333 /nfs/dbraw/zinc/72/53/33/572725333.db2.gz VPXOJQDSNWWXMK-LLVKDONJSA-N 0 0 186.258 2.801 10 0 AFAERN CCNc1cccc(OCC(C)C)n1 87841202 572725671 /nfs/dbraw/zinc/72/56/71/572725671.db2.gz FUFQKYRLYSQJJY-UHFFFAOYSA-N 0 0 194.278 2.548 10 0 AFAERN CCCCCOc1cccc(NC)n1 87842044 572725859 /nfs/dbraw/zinc/72/58/59/572725859.db2.gz QEMPVSFPZFRNTO-UHFFFAOYSA-N 0 0 194.278 2.692 10 0 AFAERN Cc1nc2cc(Cl)ccn2c1N=O 74545370 572726246 /nfs/dbraw/zinc/72/62/46/572726246.db2.gz CJWFCVJKARBAFW-UHFFFAOYSA-N 0 0 195.609 2.694 10 0 AFAERN CNc1cccc(OCCC(C)C)n1 87841005 572726254 /nfs/dbraw/zinc/72/62/54/572726254.db2.gz XEJDRWZEBPTVHO-UHFFFAOYSA-N 0 0 194.278 2.548 10 0 AFAERN C[C@H]1CCc2c(cc3ccccn23)C1=O 238457893 572726291 /nfs/dbraw/zinc/72/62/91/572726291.db2.gz OGPYDOVAALEWRR-VIFPVBQESA-N 0 0 199.253 2.704 10 0 AFAERN O=C(CCCCF)c1ccoc1 308104997 572726768 /nfs/dbraw/zinc/72/67/68/572726768.db2.gz HNLYJKLLPIDDQW-UHFFFAOYSA-N 0 0 170.183 2.602 10 0 AFAERN CCC[C@H](O)COCCC(C)(C)C 85320067 572727063 /nfs/dbraw/zinc/72/70/63/572727063.db2.gz XMWJAXPUTXRKBZ-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)(C)c1oc2c(c1CO)CCC2 77089977 572726918 /nfs/dbraw/zinc/72/69/18/572726918.db2.gz USOWAJJFLBFXBH-UHFFFAOYSA-N 0 0 194.274 2.558 10 0 AFAERN CCCc1oc2c(c1C=O)CCCC2 77090427 572726924 /nfs/dbraw/zinc/72/69/24/572726924.db2.gz ZJMZPCCBDJWPIX-UHFFFAOYSA-N 0 0 192.258 2.923 10 0 AFAERN CCCCOc1cccc(NCC)n1 87841962 572726938 /nfs/dbraw/zinc/72/69/38/572726938.db2.gz KZQUEYFMCPILKK-UHFFFAOYSA-N 0 0 194.278 2.692 10 0 AFAERN CCCc1oc2c(c1C(C)=O)CCC2 77089876 572727151 /nfs/dbraw/zinc/72/71/51/572727151.db2.gz JKCLMXMDCHUKGL-UHFFFAOYSA-N 0 0 192.258 2.923 10 0 AFAERN Cc1ccn(Cc2ccccc2C)n1 70688069 572727084 /nfs/dbraw/zinc/72/70/84/572727084.db2.gz ROZNAWWZJPEMLA-UHFFFAOYSA-N 0 0 186.258 2.548 10 0 AFAERN C[C@@H](C[C@@H](C)O)OCCC(C)(C)C 85320104 572727116 /nfs/dbraw/zinc/72/71/16/572727116.db2.gz NPNZQHBQFSDOGU-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN OCc1c(C2CC2)oc2c1CCCC2 77090491 572727126 /nfs/dbraw/zinc/72/71/26/572727126.db2.gz RUNHMIWNDHQKOG-UHFFFAOYSA-N 0 0 192.258 2.528 10 0 AFAERN CC(=O)c1c(C2CC2)oc(C)c1C 77089289 572727352 /nfs/dbraw/zinc/72/73/52/572727352.db2.gz UEUNNZNKYAEELB-UHFFFAOYSA-N 0 0 178.231 2.976 10 0 AFAERN Cc1oc(C2CC2)c(C=O)c1C 77089197 572727434 /nfs/dbraw/zinc/72/74/34/572727434.db2.gz BLGZJVQTBZUJBP-UHFFFAOYSA-N 0 0 164.204 2.586 10 0 AFAERN CCCC(=O)COCCC(C)(C)C 85319491 572727455 /nfs/dbraw/zinc/72/74/55/572727455.db2.gz VLMNVPMZACLJRT-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CSC1(Cn2cccc2)CCC1 235239019 572727542 /nfs/dbraw/zinc/72/75/42/572727542.db2.gz DQHIVZSMPDKBFZ-UHFFFAOYSA-N 0 0 181.304 2.774 10 0 AFAERN CC(C)c1oc2c(c1CO)CCCC2 77090358 572727526 /nfs/dbraw/zinc/72/75/26/572727526.db2.gz ACSXUXGETTVEKX-UHFFFAOYSA-N 0 0 194.274 2.774 10 0 AFAERN CCC/C=C\[C@H](CC)CCO 307886246 572727564 /nfs/dbraw/zinc/72/75/64/572727564.db2.gz XNNDDMWCDUJKEH-GFVADAIESA-N 0 0 156.269 2.751 10 0 AFAERN C[C@@H](O)CCCOCCC(C)(C)C 85320050 572727608 /nfs/dbraw/zinc/72/76/08/572727608.db2.gz RKPQNCOZUGWTON-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@H](O)[C@H](C)OCCC(C)(C)C 85319878 572727628 /nfs/dbraw/zinc/72/76/28/572727628.db2.gz ZKFPWDCVEAZBRM-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN CCNc1cccc(O[C@H](C)CC)n1 87842116 572727644 /nfs/dbraw/zinc/72/76/44/572727644.db2.gz REHWZXRXCQOIII-SECBINFHSA-N 0 0 194.278 2.691 10 0 AFAERN CCc1oc2c(c1C=O)CCCC2 77090268 572727666 /nfs/dbraw/zinc/72/76/66/572727666.db2.gz AQAFXNMBLOSEPM-UHFFFAOYSA-N 0 0 178.231 2.533 10 0 AFAERN CCC(=O)[C@H](C)OCCC(C)(C)C 85319493 572727858 /nfs/dbraw/zinc/72/78/58/572727858.db2.gz MPXZEYIUZHLEQH-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN CCC(=O)[C@@H](C)OCCC(C)(C)C 85319492 572727867 /nfs/dbraw/zinc/72/78/67/572727867.db2.gz MPXZEYIUZHLEQH-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN CC[C@H](O)[C@@H](C)OCCC(C)(C)C 85319876 572727921 /nfs/dbraw/zinc/72/79/21/572727921.db2.gz ZKFPWDCVEAZBRM-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN CCc1oc2c(c1C(C)=O)CCCC2 77090348 572728004 /nfs/dbraw/zinc/72/80/04/572728004.db2.gz VCCLGJKHJCBTMF-UHFFFAOYSA-N 0 0 192.258 2.923 10 0 AFAERN C[C@H](O)C[C@@H](C)OCCC(C)(C)C 85320101 572728006 /nfs/dbraw/zinc/72/80/06/572728006.db2.gz NPNZQHBQFSDOGU-VHSXEESVSA-N 0 0 188.311 2.599 10 0 AFAERN CCCNc1cccc(OCCC)n1 87841890 572728007 /nfs/dbraw/zinc/72/80/07/572728007.db2.gz NGXTXFSHJKFIHQ-UHFFFAOYSA-N 0 0 194.278 2.692 10 0 AFAERN C[C@H](O)CCCOCCC(C)(C)C 85320049 572728014 /nfs/dbraw/zinc/72/80/14/572728014.db2.gz RKPQNCOZUGWTON-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN CCNc1cccc(O[C@@H](C)CC)n1 87842117 572728029 /nfs/dbraw/zinc/72/80/29/572728029.db2.gz REHWZXRXCQOIII-VIFPVBQESA-N 0 0 194.278 2.691 10 0 AFAERN CC[C@@H](O)[C@H](C)OCCC(C)(C)C 85319879 572728084 /nfs/dbraw/zinc/72/80/84/572728084.db2.gz ZKFPWDCVEAZBRM-VHSXEESVSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@@H](O)[C@@H](C)OCCC(C)(C)C 85319877 572728088 /nfs/dbraw/zinc/72/80/88/572728088.db2.gz ZKFPWDCVEAZBRM-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CC(=O)CCCOCCC(C)(C)C 85319515 572728139 /nfs/dbraw/zinc/72/81/39/572728139.db2.gz GGMOZHHBLBKPMW-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCCc1oc2c(c1CO)CCCC2 77090425 572728231 /nfs/dbraw/zinc/72/82/31/572728231.db2.gz LFCBAHOSOPJUNE-UHFFFAOYSA-N 0 0 194.274 2.603 10 0 AFAERN C[C@@H](O)C[C@@H](C)OCCC(C)(C)C 85320102 572728247 /nfs/dbraw/zinc/72/82/47/572728247.db2.gz NPNZQHBQFSDOGU-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CC(=O)C[C@@H](C)OCCC(C)(C)C 85319509 572728253 /nfs/dbraw/zinc/72/82/53/572728253.db2.gz GZSBNOFGRGRLJQ-SNVBAGLBSA-N 0 0 186.295 2.807 10 0 AFAERN C[C@H](O)C[C@H](C)OCCC(C)(C)C 85320103 572728319 /nfs/dbraw/zinc/72/83/19/572728319.db2.gz NPNZQHBQFSDOGU-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@@H](O)COCCC(C)(C)C 85320068 572728322 /nfs/dbraw/zinc/72/83/22/572728322.db2.gz XMWJAXPUTXRKBZ-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN C/C=C\CCNc1ncncc1Cl 308100966 572728349 /nfs/dbraw/zinc/72/83/49/572728349.db2.gz FGLWYFLTJAHPOM-IHWYPQMZSA-N 0 0 197.669 2.508 10 0 AFAERN Cc1oc2c(c1C=O)C[C@@H](C)CC2 77090730 572728350 /nfs/dbraw/zinc/72/83/50/572728350.db2.gz PWGXTBKDEIZYPL-ZETCQYMHSA-N 0 0 178.231 2.525 10 0 AFAERN CC(=O)c1c(C2CC2)oc2c1CCC2 77089967 572728375 /nfs/dbraw/zinc/72/83/75/572728375.db2.gz CYGCFSQLRMDQHH-UHFFFAOYSA-N 0 0 190.242 2.848 10 0 AFAERN CCCNc1cccc(OC(C)C)n1 87841269 572728783 /nfs/dbraw/zinc/72/87/83/572728783.db2.gz PBTQGPONOSAVSC-UHFFFAOYSA-N 0 0 194.278 2.691 10 0 AFAERN CC(C)(C)c1oc2c(c1C=O)CCC2 77089979 572728600 /nfs/dbraw/zinc/72/86/00/572728600.db2.gz DMKYRVVCIUAMJG-UHFFFAOYSA-N 0 0 192.258 2.878 10 0 AFAERN Cc1ccc(CC/C=C/CCO)cc1 238468421 572728644 /nfs/dbraw/zinc/72/86/44/572728644.db2.gz ANZDBONXJDOFIV-NSCUHMNNSA-N 0 0 190.286 2.866 10 0 AFAERN Cc1oc(C(F)(F)F)c(C=O)c1C 77089130 572728676 /nfs/dbraw/zinc/72/86/76/572728676.db2.gz CRTGTXPXFGAQOT-UHFFFAOYSA-N 0 0 192.136 2.728 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@H]1Nc1cn[nH]c1 235324067 572729018 /nfs/dbraw/zinc/72/90/18/572729018.db2.gz WKOLCRKHLBQMAX-PSASIEDQSA-N 0 0 193.294 2.646 10 0 AFAERN CC[NH2+]Cc1c(C2CC2)oc(C)c1C 77089199 572729061 /nfs/dbraw/zinc/72/90/61/572729061.db2.gz SFIMYQITACLTER-UHFFFAOYSA-N 0 0 193.290 2.883 10 0 AFAERN CCCc1oc2c(c1C=O)CCC2 77089796 572729070 /nfs/dbraw/zinc/72/90/70/572729070.db2.gz QDGFVHSJSISKNO-UHFFFAOYSA-N 0 0 178.231 2.533 10 0 AFAERN Cc1nc2ccc(Cl)cn2c1N=O 74545199 572729263 /nfs/dbraw/zinc/72/92/63/572729263.db2.gz PKBXUIPENNUHFD-UHFFFAOYSA-N 0 0 195.609 2.694 10 0 AFAERN O=Cc1c(C2CC2)oc2c1CCCC2 77090493 572729292 /nfs/dbraw/zinc/72/92/92/572729292.db2.gz QKJRLPRMWYBNBX-UHFFFAOYSA-N 0 0 190.242 2.848 10 0 AFAERN CC(C)c1oc2c(c1C=O)CCC2 77089704 572729313 /nfs/dbraw/zinc/72/93/13/572729313.db2.gz DBDXXSZBQRSBGQ-UHFFFAOYSA-N 0 0 178.231 2.704 10 0 AFAERN CCc1oc2c(c1C(C)=O)CCC2 77089692 572729330 /nfs/dbraw/zinc/72/93/30/572729330.db2.gz JZALZYUQGOMTCA-UHFFFAOYSA-N 0 0 178.231 2.533 10 0 AFAERN Cc1ccc2[nH]c3c(c2c1)C[C@H](C)C3=O 238468228 572729358 /nfs/dbraw/zinc/72/93/58/572729358.db2.gz GEJBAZVNHCMUPG-QMMMGPOBSA-N 0 0 199.253 2.851 10 0 AFAERN COc1ccc(CC=C(C)C)c(O)c1 196677750 572729431 /nfs/dbraw/zinc/72/94/31/572729431.db2.gz CZJGUGYDVPMXAV-UHFFFAOYSA-N 0 0 192.258 2.910 10 0 AFAERN CCC(=O)c1ccc(CF)cc1 196665071 572729521 /nfs/dbraw/zinc/72/95/21/572729521.db2.gz ZULYWMQOPPBKAG-UHFFFAOYSA-N 0 0 166.195 2.749 10 0 AFAERN Cc1oc2c(c1C=O)C[C@H](C)CC2 77090731 572729570 /nfs/dbraw/zinc/72/95/70/572729570.db2.gz PWGXTBKDEIZYPL-SSDOTTSWSA-N 0 0 178.231 2.525 10 0 AFAERN CCCCC(=O)[C@]12CC=C[C@H]1[C@H]2C 308101984 572729758 /nfs/dbraw/zinc/72/97/58/572729758.db2.gz GALIQVCXQUXMDE-SCVCMEIPSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1C(=C=CCl)[C@H]1C 196670834 572730046 /nfs/dbraw/zinc/73/00/46/572730046.db2.gz QIBNUWPGIVYGHE-WDSKDSINSA-N 0 0 128.602 2.550 10 0 AFAERN C/C(=C\Cl)COc1ccc(O)cc1 308101827 572730806 /nfs/dbraw/zinc/73/08/06/572730806.db2.gz ANSRSMIRYHHNSV-SOFGYWHQSA-N 0 0 198.649 2.914 10 0 AFAERN CCCNc1cccc2c1N[C@@H](C)C2 713740849 572730287 /nfs/dbraw/zinc/73/02/87/572730287.db2.gz IUVFXXGOWKJMLN-VIFPVBQESA-N 0 0 190.290 2.865 10 0 AFAERN C/C=C\[C@H](C)/C=C(/C)CCO 307886841 572730389 /nfs/dbraw/zinc/73/03/89/572730389.db2.gz YBYMDYCSJIKLCX-CNHKOEFTSA-N 0 0 154.253 2.527 10 0 AFAERN CC(C)NC(=S)Cc1ccccc1 196669729 572730518 /nfs/dbraw/zinc/73/05/18/572730518.db2.gz XRUHNQDRWSXWNT-UHFFFAOYSA-N 0 0 193.315 2.555 10 0 AFAERN c1ccc2c(c1)OC[C@@H]2Cn1cccc1 92306525 572730588 /nfs/dbraw/zinc/73/05/88/572730588.db2.gz JVKHYJAKFYXHND-NSHDSACASA-N 0 0 199.253 2.664 10 0 AFAERN CC[C@H]1CCC(F)(F)C1 117650517 572730856 /nfs/dbraw/zinc/73/08/56/572730856.db2.gz NMFJOQGFPHDHRK-LURJTMIESA-N 0 0 134.169 2.832 10 0 AFAERN CC(=O)c1c(C)oc2c1C[C@H](C)CC2 77090891 572730915 /nfs/dbraw/zinc/73/09/15/572730915.db2.gz VFKXOBDVZRCZGF-SSDOTTSWSA-N 0 0 192.258 2.915 10 0 AFAERN C[C@@H]1C(=C=CCl)[C@@H]1C 196670826 572731056 /nfs/dbraw/zinc/73/10/56/572731056.db2.gz QIBNUWPGIVYGHE-WDECHDIJSA-N 0 0 128.602 2.550 10 0 AFAERN COC(=O)CC/C=C/C(C)=C\Cl 307887500 572731126 /nfs/dbraw/zinc/73/11/26/572731126.db2.gz LRRVNHHJEWWJEP-AXDYLVROSA-N 0 0 188.654 2.638 10 0 AFAERN CCc1oc2c(c1C=O)C[C@@H](C)CC2 77090914 572731201 /nfs/dbraw/zinc/73/12/01/572731201.db2.gz WVKVQUJQKYPIRS-QMMMGPOBSA-N 0 0 192.258 2.779 10 0 AFAERN CC(C)CO[P@](C)(=O)CC=O 307891052 572731333 /nfs/dbraw/zinc/73/13/33/572731333.db2.gz FBNHQTWRNUTTDQ-WYGGZMRJSA-N 0 0 178.168 2.596 10 0 AFAERN C/C=C\[C@H](C)/C=C(\C)CCO 307886842 572731388 /nfs/dbraw/zinc/73/13/88/572731388.db2.gz YBYMDYCSJIKLCX-YSJVVZSESA-N 0 0 154.253 2.527 10 0 AFAERN CC(C)=C(CO)c1ccc(C)cc1 196662345 572731483 /nfs/dbraw/zinc/73/14/83/572731483.db2.gz LXCLXNKUKYJYOK-UHFFFAOYSA-N 0 0 176.259 2.781 10 0 AFAERN CC[C@@H](c1nccs1)n1cccc1 70734540 572731506 /nfs/dbraw/zinc/73/15/06/572731506.db2.gz SOMRICCEXSKMBQ-VIFPVBQESA-N 0 0 192.287 2.944 10 0 AFAERN Cc1cc([C@@H]2CCC(=O)C2)ccc1F 70738068 572731572 /nfs/dbraw/zinc/73/15/72/572731572.db2.gz BFRBQMRCDNPQLP-SNVBAGLBSA-N 0 0 192.233 2.971 10 0 AFAERN C/C(=C/Cl)C1CC1 238469029 572731583 /nfs/dbraw/zinc/73/15/83/572731583.db2.gz VJEMJFXXKFRQDP-PLNGDYQASA-N 0 0 116.591 2.539 10 0 AFAERN Cc1ccc(C(C)C=O)cc1 238469386 572731636 /nfs/dbraw/zinc/73/16/36/572731636.db2.gz DFGABDLNIADOTC-CLFYSBASSA-N 0 0 148.205 2.914 10 0 AFAERN Cc1ccc(F)cc1[C@@H]1CCC(=O)C1 70738227 572731651 /nfs/dbraw/zinc/73/16/51/572731651.db2.gz CUCPNJQFNAGDFV-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN Cc1csc([C@@H](C)n2cccc2)n1 70734546 572731653 /nfs/dbraw/zinc/73/16/53/572731653.db2.gz XBWCCYSZGYMXRO-SECBINFHSA-N 0 0 192.287 2.862 10 0 AFAERN CCc1oc2c(c1C=O)C[C@H](C)CC2 77090915 572731658 /nfs/dbraw/zinc/73/16/58/572731658.db2.gz WVKVQUJQKYPIRS-MRVPVSSYSA-N 0 0 192.258 2.779 10 0 AFAERN OCc1cccc2c1ccn2C(F)F 70735375 572731687 /nfs/dbraw/zinc/73/16/87/572731687.db2.gz GDKXHNWBGDENGY-UHFFFAOYSA-N 0 0 197.184 2.529 10 0 AFAERN C=C=CCOc1ccc(C)cc1C=O 238465605 572731701 /nfs/dbraw/zinc/73/17/01/572731701.db2.gz NZKFLMUFHIABCK-UHFFFAOYSA-N 0 0 188.226 2.527 10 0 AFAERN CC(C=O)c1ccc(F)cc1 238469408 572731732 /nfs/dbraw/zinc/73/17/32/572731732.db2.gz MEMLDMZLORDWFO-SREVYHEPSA-N 0 0 152.168 2.745 10 0 AFAERN CO[C@H]1CC[C@@H](n2c(C)ccc2C)C1 234808621 572733014 /nfs/dbraw/zinc/73/30/14/572733014.db2.gz WQOLCFVAAIENCC-NEPJUHHUSA-N 0 0 193.290 2.845 10 0 AFAERN CCCc1nnc(Cl)cc1CC 54930906 572731959 /nfs/dbraw/zinc/73/19/59/572731959.db2.gz YTXLYZDMYYVKOU-UHFFFAOYSA-N 0 0 184.670 2.645 10 0 AFAERN CC(C)CO[P@@](C)(=O)CC=O 307891046 572731982 /nfs/dbraw/zinc/73/19/82/572731982.db2.gz FBNHQTWRNUTTDQ-DOGVGXBMSA-N 0 0 178.168 2.596 10 0 AFAERN COC(=O)CC/C=C/C(C)=C/Cl 307887504 572732090 /nfs/dbraw/zinc/73/20/90/572732090.db2.gz LRRVNHHJEWWJEP-VSAQMIDASA-N 0 0 188.654 2.638 10 0 AFAERN CCOC(OCC)/C(=C/Cl)CC 307894237 572733085 /nfs/dbraw/zinc/73/30/85/572733085.db2.gz WOMCIPNHUITVKV-BQYQJAHWSA-N 0 0 192.686 2.918 10 0 AFAERN CCCCC/C(Cl)=C/CC(N)=O 307886910 572732096 /nfs/dbraw/zinc/73/20/96/572732096.db2.gz VWISLPSZNAJDLC-VURMDHGXSA-N 0 0 189.686 2.565 10 0 AFAERN Cc1ccc(C[C@@H]2CCC(=O)C2)cc1 70738025 572732126 /nfs/dbraw/zinc/73/21/26/572732126.db2.gz OTOHUKIRERBIDR-LBPRGKRZSA-N 0 0 188.270 2.907 10 0 AFAERN CC(C)=C[C@H](C)C/C(C)=C/CO 238464348 572732141 /nfs/dbraw/zinc/73/21/41/572732141.db2.gz PUPJIMVAEIMCLL-UAWPZABVSA-N 0 0 168.280 2.917 10 0 AFAERN c1cc2c(s1)CCc1cnoc1-2 196662467 572732190 /nfs/dbraw/zinc/73/21/90/572732190.db2.gz FYLYCDZHFXLADO-UHFFFAOYSA-N 0 0 177.228 2.502 10 0 AFAERN CCCCNc1ccc(O)cc1C 70735641 572732251 /nfs/dbraw/zinc/73/22/51/572732251.db2.gz VWAOOJWNQWCZHO-UHFFFAOYSA-N 0 0 179.263 2.913 10 0 AFAERN CC/C=C\[C@H](CC)C[C@H](C)O 307894367 572732318 /nfs/dbraw/zinc/73/23/18/572732318.db2.gz JCRJSCSHZJPTNA-QTPDZXDFSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1ccc(F)cc1[C@H]1CCC(=O)C1 70738229 572732322 /nfs/dbraw/zinc/73/23/22/572732322.db2.gz CUCPNJQFNAGDFV-VIFPVBQESA-N 0 0 192.233 2.971 10 0 AFAERN C=C/C=C(\C)c1ccccc1N 307887694 572732234 /nfs/dbraw/zinc/73/22/34/572732234.db2.gz XOPAPSNNOFJBIP-RMKNXTFCSA-N 0 0 159.232 2.858 10 0 AFAERN CC(=O)c1c(C)oc2c1C[C@@H](C)CC2 77090890 572732394 /nfs/dbraw/zinc/73/23/94/572732394.db2.gz VFKXOBDVZRCZGF-ZETCQYMHSA-N 0 0 192.258 2.915 10 0 AFAERN Cc1ccc(CCC(C)(C)CO)cc1 238465515 572732440 /nfs/dbraw/zinc/73/24/40/572732440.db2.gz CHFZWKVMOJRBRS-UHFFFAOYSA-N 0 0 192.302 2.946 10 0 AFAERN C/C(=C/C/C=C/CO)[Si](C)(C)C 238468933 572732484 /nfs/dbraw/zinc/73/24/84/572732484.db2.gz JVTYCQKIWQZMDH-MBRJEVFCSA-N 0 0 184.355 2.749 10 0 AFAERN c1ccn(Nc2nccc3occc23)c1 236186944 572732486 /nfs/dbraw/zinc/73/24/86/572732486.db2.gz CVRSDSGOVXDTJE-UHFFFAOYSA-N 0 0 199.213 2.505 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1ncccc1N 49092464 572732560 /nfs/dbraw/zinc/73/25/60/572732560.db2.gz HUCJIUAWBSCJQE-BDAKNGLRSA-N 0 0 193.294 2.510 10 0 AFAERN C[C@@H](C1CC1)[C@@H](O)CCCCF 308106453 572732600 /nfs/dbraw/zinc/73/26/00/572732600.db2.gz IDQQQCJAFGJQEX-WPRPVWTQSA-N 0 0 174.259 2.533 10 0 AFAERN CC(C)OCC[C@@H]1CCCC(=O)C1 70737961 572732781 /nfs/dbraw/zinc/73/27/81/572732781.db2.gz GPKKNXQIJUCGDQ-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CCCC[C@@H](O)[C@H](F)CCC 307888337 572732827 /nfs/dbraw/zinc/73/28/27/572732827.db2.gz ZPAOEYXQLPISBN-RKDXNWHRSA-N 0 0 162.248 2.676 10 0 AFAERN CC(C)/C=C\[C@@H]1[C@@H]2C(=O)CC[C@@]21C 308109953 572732911 /nfs/dbraw/zinc/73/29/11/572732911.db2.gz MOCIRXHMEHUDDQ-FDRYIUTFSA-N 0 0 178.275 2.814 10 0 AFAERN C/C=C/C=C\C(C)(C)CCO 307893580 572733068 /nfs/dbraw/zinc/73/30/68/572733068.db2.gz HTFLNWKFYGOTEG-DEQVHDEQSA-N 0 0 154.253 2.527 10 0 AFAERN COC(=O)CCCC/C(C)=C/Cl 307894270 572733630 /nfs/dbraw/zinc/73/36/30/572733630.db2.gz WRIMEHXCKQVCCY-BQYQJAHWSA-N 0 0 190.670 2.862 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@H]1Nn1cccc1 235327227 572733273 /nfs/dbraw/zinc/73/32/73/572733273.db2.gz JBOMLIKNIULGSX-GHMZBOCLSA-N 0 0 192.306 2.856 10 0 AFAERN CCC/C=C/CC[S@@](=O)CC 307894063 572733299 /nfs/dbraw/zinc/73/32/99/572733299.db2.gz HDDVEGPHLSMFFE-MLRMMBSGSA-N 0 0 174.309 2.501 10 0 AFAERN Cc1cc(OC/C=C\Cl)ccc1N 308106699 572733458 /nfs/dbraw/zinc/73/34/58/572733458.db2.gz SERHGGFERIMUBO-DJWKRKHSSA-N 0 0 197.665 2.709 10 0 AFAERN CC[C@H](c1nccs1)n1cccc1 70734541 572734056 /nfs/dbraw/zinc/73/40/56/572734056.db2.gz SOMRICCEXSKMBQ-SECBINFHSA-N 0 0 192.287 2.944 10 0 AFAERN Cc1cc(-c2ccc(F)cc2)n(C)n1 22003163 572733795 /nfs/dbraw/zinc/73/37/95/572733795.db2.gz VLDKNBJBPFACAF-UHFFFAOYSA-N 0 0 190.221 2.535 10 0 AFAERN Cc1cc(C=O)c(C(C)C)s1 77093287 572734075 /nfs/dbraw/zinc/73/40/75/572734075.db2.gz RSZKRZBOGCCEOU-UHFFFAOYSA-N 0 0 168.261 2.992 10 0 AFAERN Cc1cc([C@H]2CCC(=O)C2)ccc1F 70738069 572733886 /nfs/dbraw/zinc/73/38/86/572733886.db2.gz BFRBQMRCDNPQLP-JTQLQIEISA-N 0 0 192.233 2.971 10 0 AFAERN C[C@H]1C(=C=CCl)[C@@H]1C 196670843 572734023 /nfs/dbraw/zinc/73/40/23/572734023.db2.gz QIBNUWPGIVYGHE-PHDIDXHHSA-N 0 0 128.602 2.550 10 0 AFAERN CCC/C=C\CC[S@@](=O)CC 307894069 572734254 /nfs/dbraw/zinc/73/42/54/572734254.db2.gz HDDVEGPHLSMFFE-ZADCQDASSA-N 0 0 174.309 2.501 10 0 AFAERN Cc1csc([C@H](C)n2cccc2)n1 70734547 572734256 /nfs/dbraw/zinc/73/42/56/572734256.db2.gz XBWCCYSZGYMXRO-VIFPVBQESA-N 0 0 192.287 2.862 10 0 AFAERN CCC/C=C\C/C=C\CCO 167357266 572734259 /nfs/dbraw/zinc/73/42/59/572734259.db2.gz FKYPQBISEGLVKW-UTOQUPLUSA-N 0 0 154.253 2.671 10 0 AFAERN CCC/C=C\c1cc(C)no1 307893583 572734324 /nfs/dbraw/zinc/73/43/24/572734324.db2.gz HTQJIDCFHQGXKX-WAYWQWQTSA-N 0 0 151.209 2.796 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1ncccc1N 49092460 572734274 /nfs/dbraw/zinc/73/42/74/572734274.db2.gz HUCJIUAWBSCJQE-RKDXNWHRSA-N 0 0 193.294 2.510 10 0 AFAERN Cc1ccc(C[C@H]2CCC(=O)C2)cc1 70738026 572734285 /nfs/dbraw/zinc/73/42/85/572734285.db2.gz OTOHUKIRERBIDR-GFCCVEGCSA-N 0 0 188.270 2.907 10 0 AFAERN CC(C)(C)C[C@@H]1CCC(=O)C1 196668485 572734469 /nfs/dbraw/zinc/73/44/69/572734469.db2.gz KHTKJRVWZHZJKW-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN O[C@@H](c1cc2ccccc2o1)C1CC1 70735950 572734541 /nfs/dbraw/zinc/73/45/41/572734541.db2.gz NPTKMUVWOBFBGY-GFCCVEGCSA-N 0 0 188.226 2.876 10 0 AFAERN Cc1cc(N)c(C(F)(F)F)s1 77093545 572734552 /nfs/dbraw/zinc/73/45/52/572734552.db2.gz MLCBPOAWNTYPDS-UHFFFAOYSA-N 0 0 181.182 2.658 10 0 AFAERN C/C(CO)=C1/CCC[C@@H](C)C1 307888808 572734624 /nfs/dbraw/zinc/73/46/24/572734624.db2.gz AXEZHTJVSYKGBP-KGSKPCQNSA-N 0 0 154.253 2.505 10 0 AFAERN Cc1cc(C=O)c(C(F)(F)F)s1 77093481 572734676 /nfs/dbraw/zinc/73/46/76/572734676.db2.gz XHFTXIHWYIPVHC-UHFFFAOYSA-N 0 0 194.177 2.888 10 0 AFAERN CN(C/C(Cl)=C\Cl)CC1CC1 307893730 572734701 /nfs/dbraw/zinc/73/47/01/572734701.db2.gz GXSQITHLXNSXQO-XBXARRHUSA-N 0 0 194.105 2.647 10 0 AFAERN CCC/C=C(\CC)[C@H](O)CC 307888748 572734802 /nfs/dbraw/zinc/73/48/02/572734802.db2.gz ADJAYVDKOSHXCE-AAXQSMANSA-N 0 0 156.269 2.894 10 0 AFAERN CC(C)(C)C[C@H]1CCC(=O)C1 196668494 572734824 /nfs/dbraw/zinc/73/48/24/572734824.db2.gz KHTKJRVWZHZJKW-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(CO)c(C(C)(C)C)s1 77093390 572734828 /nfs/dbraw/zinc/73/48/28/572734828.db2.gz GVAFZRAOJNMYCV-UHFFFAOYSA-N 0 0 184.304 2.846 10 0 AFAERN Cc1cccn1Cc1cccc(F)c1 167338725 572734912 /nfs/dbraw/zinc/73/49/12/572734912.db2.gz DFJZTFCYWFFYTN-UHFFFAOYSA-N 0 0 189.233 2.984 10 0 AFAERN C/C=C1\CCCCCC[C@H]1O 307893567 572734969 /nfs/dbraw/zinc/73/49/69/572734969.db2.gz HRZHJOUFIPFAMC-AEQWBEDWSA-N 0 0 154.253 2.648 10 0 AFAERN CCC/C=C\CC[S@](=O)CC 307894059 572734981 /nfs/dbraw/zinc/73/49/81/572734981.db2.gz HDDVEGPHLSMFFE-JMEBYUIHSA-N 0 0 174.309 2.501 10 0 AFAERN CCC/C=C(\CC)[C@@H](O)CC 307888749 572735006 /nfs/dbraw/zinc/73/50/06/572735006.db2.gz ADJAYVDKOSHXCE-DDXVTDLHSA-N 0 0 156.269 2.894 10 0 AFAERN CNc1ccc2ccccc2c1O 196673701 572735081 /nfs/dbraw/zinc/73/50/81/572735081.db2.gz XNGDJTMDSBOCBE-UHFFFAOYSA-N 0 0 173.215 2.587 10 0 AFAERN O=C1CCCC[C@@H](C2CCOCC2)C1 70740547 572735257 /nfs/dbraw/zinc/73/52/57/572735257.db2.gz QQAUGBQKICWAHO-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN C=C=C[C@@]1(C)CCC[C@@H](C)C1=O 196671933 572735291 /nfs/dbraw/zinc/73/52/91/572735291.db2.gz RKZVGLYYXWQIQN-KOLCDFICSA-N 0 0 164.248 2.723 10 0 AFAERN CCCNc1cc(C)c(C(C)C)nn1 54931201 572735325 /nfs/dbraw/zinc/73/53/25/572735325.db2.gz BSGOAZISXHITQH-UHFFFAOYSA-N 0 0 193.294 2.730 10 0 AFAERN Cc1cc(N)c(C(C)C)s1 77093388 572735395 /nfs/dbraw/zinc/73/53/95/572735395.db2.gz CJJGXOSEFITPMF-UHFFFAOYSA-N 0 0 155.266 2.762 10 0 AFAERN CCCC[C@@H](O)[C@@H](F)CCC 307888335 572735408 /nfs/dbraw/zinc/73/54/08/572735408.db2.gz ZPAOEYXQLPISBN-DTWKUNHWSA-N 0 0 162.248 2.676 10 0 AFAERN C/C=C\c1cnc(NCCC)s1 307888220 572735463 /nfs/dbraw/zinc/73/54/63/572735463.db2.gz YDCQUYDSFDNCFM-HYXAFXHYSA-N 0 0 182.292 2.998 10 0 AFAERN Cc1cccc(N)c1OC/C=C\Cl 308107406 572735544 /nfs/dbraw/zinc/73/55/44/572735544.db2.gz SSMPSHFDPAKOFH-UTCJRWHESA-N 0 0 197.665 2.709 10 0 AFAERN CC(=O)CCCC1CCCC1 70738758 572735589 /nfs/dbraw/zinc/73/55/89/572735589.db2.gz QQYHZGKDXBXAQZ-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN C=C=C[C@]1(C)CCC[C@@H](C)C1=O 196671918 572735627 /nfs/dbraw/zinc/73/56/27/572735627.db2.gz RKZVGLYYXWQIQN-MWLCHTKSSA-N 0 0 164.248 2.723 10 0 AFAERN CC[C@H](C)[C@@H](C)Nc1ncccc1N 49092462 572735674 /nfs/dbraw/zinc/73/56/74/572735674.db2.gz HUCJIUAWBSCJQE-DTWKUNHWSA-N 0 0 193.294 2.510 10 0 AFAERN CCCCCc1ccc(O)cc1N 116542738 572735694 /nfs/dbraw/zinc/73/56/94/572735694.db2.gz LYLPTEAGWKSGEK-UHFFFAOYSA-N 0 0 179.263 2.707 10 0 AFAERN CC(=O)CCc1ccc(F)cc1C 70738815 572735754 /nfs/dbraw/zinc/73/57/54/572735754.db2.gz YBVFCCYOQFTCKV-UHFFFAOYSA-N 0 0 180.222 2.656 10 0 AFAERN Cc1cccc2c1NC[C@@H](C)[C@H](C)N2 235327836 572735772 /nfs/dbraw/zinc/73/57/72/572735772.db2.gz GXDRXJHBHANERX-ZJUUUORDSA-N 0 0 190.290 2.857 10 0 AFAERN Cc1sc(-c2cccnc2)cc1N 77095745 572736029 /nfs/dbraw/zinc/73/60/29/572736029.db2.gz UKNNSEBWWGMKKG-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C=C=C[C@]1(C)CCC[C@H](C)C1=O 196671928 572736161 /nfs/dbraw/zinc/73/61/61/572736161.db2.gz RKZVGLYYXWQIQN-GXSJLCMTSA-N 0 0 164.248 2.723 10 0 AFAERN Cc1cc(N)nc2[nH]c3ccccc3c12 238475812 572736384 /nfs/dbraw/zinc/73/63/84/572736384.db2.gz JEQQBZHKCYFHEV-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN C=C=C[C@@]1(C)CCC[C@H](C)C1=O 196671942 572736494 /nfs/dbraw/zinc/73/64/94/572736494.db2.gz RKZVGLYYXWQIQN-ONGXEEELSA-N 0 0 164.248 2.723 10 0 AFAERN CCc1sc(C(C)C)cc1C[NH3+] 77096084 572736508 /nfs/dbraw/zinc/73/65/08/572736508.db2.gz HDYQKFPJVQPIRJ-UHFFFAOYSA-N 0 0 183.320 2.893 10 0 AFAERN O=C1CC[C@H](c2cc(F)cc(F)c2)C1 70738304 572737345 /nfs/dbraw/zinc/73/73/45/572737345.db2.gz CWCKXVNUTMEZBJ-ZETCQYMHSA-N 0 0 196.196 2.801 10 0 AFAERN CCCC[C@@H](C)Nc1ccnc(C)n1 54936482 572736554 /nfs/dbraw/zinc/73/65/54/572736554.db2.gz HQIGZKVGMNSFLW-SECBINFHSA-N 0 0 193.294 2.776 10 0 AFAERN CCCCO[C@@H]1C=C/C(=C/Cl)O1 307889876 572736559 /nfs/dbraw/zinc/73/65/59/572736559.db2.gz OUZCPQCATPPJTQ-FUOZMLNRSA-N 0 0 188.654 2.796 10 0 AFAERN C=C/C(C)=C\C[C@H](O)C(C)(C)C 238475705 572736614 /nfs/dbraw/zinc/73/66/14/572736614.db2.gz NWIAESHCNNFAKC-RNKPRXRFSA-N 0 0 168.280 2.916 10 0 AFAERN O=C1CCCC[C@H](c2cccnc2)C1 70740306 572736647 /nfs/dbraw/zinc/73/66/47/572736647.db2.gz XUCFXQMRSIERBB-JTQLQIEISA-N 0 0 189.258 2.698 10 0 AFAERN CC(=C/CO)/C=C/CC(C)C 307890136 572736727 /nfs/dbraw/zinc/73/67/27/572736727.db2.gz COKJYWNZRDWYJV-JSRXJHBZSA-N 0 0 154.253 2.527 10 0 AFAERN C/C=C\CSc1nc(C)co1 307890017 572736784 /nfs/dbraw/zinc/73/67/84/572736784.db2.gz YJLNKOUCXMXVQL-ARJAWSKDSA-N 0 0 169.249 2.651 10 0 AFAERN CCCC(=O)CCCCOC(C)C 70739327 572736807 /nfs/dbraw/zinc/73/68/07/572736807.db2.gz GEUHCSRONYPGJA-UHFFFAOYSA-N 0 0 186.295 2.951 10 0 AFAERN C=C/C(C)=C\C[C@@H](O)C(C)(C)C 238475606 572736844 /nfs/dbraw/zinc/73/68/44/572736844.db2.gz NWIAESHCNNFAKC-UJICNMFASA-N 0 0 168.280 2.916 10 0 AFAERN O=C1CCCC[C@H](C2CCOCC2)C1 70740549 572736905 /nfs/dbraw/zinc/73/69/05/572736905.db2.gz QQAUGBQKICWAHO-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN CC(C)(C)C(=O)CCC1CC1 70740036 572736937 /nfs/dbraw/zinc/73/69/37/572736937.db2.gz OGHMRHOJNAOLKQ-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)CCc1cc(F)ccc1C 70738713 572736943 /nfs/dbraw/zinc/73/69/43/572736943.db2.gz QVJDCZKRVSFSTO-UHFFFAOYSA-N 0 0 180.222 2.656 10 0 AFAERN O=C1CC[C@@H](c2cc(F)cc(F)c2)C1 70738303 572736974 /nfs/dbraw/zinc/73/69/74/572736974.db2.gz CWCKXVNUTMEZBJ-SSDOTTSWSA-N 0 0 196.196 2.801 10 0 AFAERN CCCCOCC[C@H]1CCC(=O)C1 70738592 572737020 /nfs/dbraw/zinc/73/70/20/572737020.db2.gz CCSIFIJHZQVQIB-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CC(/C=C\CC(C)C)=C\CO 307890133 572737040 /nfs/dbraw/zinc/73/70/40/572737040.db2.gz COKJYWNZRDWYJV-BSAFSDHNSA-N 0 0 154.253 2.527 10 0 AFAERN C/C=C\COc1ccc(N)cc1Cl 308107411 572737079 /nfs/dbraw/zinc/73/70/79/572737079.db2.gz SUKOQSOFBGBURM-IHWYPQMZSA-N 0 0 197.665 2.877 10 0 AFAERN CC[C@H]1COc2cccc(C(C)=O)c21 22005123 572737094 /nfs/dbraw/zinc/73/70/94/572737094.db2.gz BUGDGXOQKJUTSM-VIFPVBQESA-N 0 0 190.242 2.775 10 0 AFAERN Cc1ccc([C@@H](F)CCCO)cc1 238474989 572737222 /nfs/dbraw/zinc/73/72/22/572737222.db2.gz CUDBCDFKKUBGBI-NSHDSACASA-N 0 0 182.238 2.778 10 0 AFAERN Cc1sc(-c2ccccn2)cc1N 77095685 572737264 /nfs/dbraw/zinc/73/72/64/572737264.db2.gz PQZFQNOHGIKOQO-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC[C@H](Nc1ncccc1N)C(C)C 49128229 572737317 /nfs/dbraw/zinc/73/73/17/572737317.db2.gz BIURUVPGHVYZGW-JTQLQIEISA-N 0 0 193.294 2.510 10 0 AFAERN CCc1sc(C)cc1C[NH2+]C1CC1 77095961 572737349 /nfs/dbraw/zinc/73/73/49/572737349.db2.gz JBOVTNHBVLTIQD-UHFFFAOYSA-N 0 0 195.331 2.871 10 0 AFAERN CCNc1cc(F)c2c(c1)N[C@H](C)C2 713744116 572737574 /nfs/dbraw/zinc/73/75/74/572737574.db2.gz MJCLLJHCCSERDD-SSDOTTSWSA-N 0 0 194.253 2.614 10 0 AFAERN CCc1sc(C(C)C)cc1CO 77096063 572737651 /nfs/dbraw/zinc/73/76/51/572737651.db2.gz GXDSUAQIJCHSIV-UHFFFAOYSA-N 0 0 184.304 2.926 10 0 AFAERN CCc1sc(C(F)(F)F)cc1N 77096268 572737658 /nfs/dbraw/zinc/73/76/58/572737658.db2.gz MJQAQWICKFDXEY-UHFFFAOYSA-N 0 0 195.209 2.912 10 0 AFAERN CC(/C=C\CC(C)C)=C/CO 307890137 572737788 /nfs/dbraw/zinc/73/77/88/572737788.db2.gz COKJYWNZRDWYJV-KFUKRSJGSA-N 0 0 154.253 2.527 10 0 AFAERN C[C@H]1CC(=O)Cc2[nH]c3ccccc3c21 238475918 572737936 /nfs/dbraw/zinc/73/79/36/572737936.db2.gz PSFNNWQJOOJFIZ-QMMMGPOBSA-N 0 0 199.253 2.787 10 0 AFAERN Cc1[nH]c([C@H]2CCC[C@@H](C)C2)nc1O 235328189 572738012 /nfs/dbraw/zinc/73/80/12/572738012.db2.gz ZWAKXBQBDYBXDC-APPZFPTMSA-N 0 0 194.278 2.717 10 0 AFAERN CCCCO[C@H]1C=C/C(=C/Cl)O1 307889877 572738030 /nfs/dbraw/zinc/73/80/30/572738030.db2.gz OUZCPQCATPPJTQ-UFGYOYAJSA-N 0 0 188.654 2.796 10 0 AFAERN Cc1cccc2c1NC[C@@H](C)[C@@H](C)N2 235327801 572738057 /nfs/dbraw/zinc/73/80/57/572738057.db2.gz GXDRXJHBHANERX-NXEZZACHSA-N 0 0 190.290 2.857 10 0 AFAERN CC[C@H](O)/C=C(/C)Cc1ccccc1 221463808 572738232 /nfs/dbraw/zinc/73/82/32/572738232.db2.gz YLRXMJSDNIWAQQ-OEYXZAGESA-N 0 0 190.286 2.946 10 0 AFAERN C[C@H]1CC[C@@H](CCCCCO)C(=O)C1 238482854 572738374 /nfs/dbraw/zinc/73/83/74/572738374.db2.gz MQYZKTIPIASYEY-WDEREUQCSA-N 0 0 198.306 2.544 10 0 AFAERN Cc1cc([C@H]2CC[C@H](O)C2)ccc1F 70771992 572738638 /nfs/dbraw/zinc/73/86/38/572738638.db2.gz UULXGQSMCUTEKI-QWRGUYRKSA-N 0 0 194.249 2.763 10 0 AFAERN O[C@@H]1CC[C@@H](CCc2cccs2)C1 70771862 572738503 /nfs/dbraw/zinc/73/85/03/572738503.db2.gz DHDGLYHGNZCBDY-VHSXEESVSA-N 0 0 196.315 2.842 10 0 AFAERN Cc1cc([C@@H]2CC[C@H](O)C2)ccc1F 70771989 572738514 /nfs/dbraw/zinc/73/85/14/572738514.db2.gz UULXGQSMCUTEKI-MNOVXSKESA-N 0 0 194.249 2.763 10 0 AFAERN CC[C@@H]1CC[C@@](O)(CC(C)C)C1 70765797 572738529 /nfs/dbraw/zinc/73/85/29/572738529.db2.gz QVHRYFFCUHNZRN-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccc([C@H]2CC[C@@H](O)C2)c1C 70771830 572738539 /nfs/dbraw/zinc/73/85/39/572738539.db2.gz GYVUHRDJYNEXSK-NWDGAFQWSA-N 0 0 190.286 2.932 10 0 AFAERN C/C(=C/CCc1ccsc1)CO 238479163 572738637 /nfs/dbraw/zinc/73/86/37/572738637.db2.gz MGUGMDUIGRUFSD-OQFOIZHKSA-N 0 0 182.288 2.619 10 0 AFAERN Cc1cc(C)c(N)c(-c2ccncc2)c1 238483088 572738726 /nfs/dbraw/zinc/73/87/26/572738726.db2.gz YDGWOSFWGJWLFL-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cc(O)cc2c1nc1ccccn12 238481687 572738868 /nfs/dbraw/zinc/73/88/68/572738868.db2.gz GGYWSTDPCGFYCQ-UHFFFAOYSA-N 0 0 198.225 2.502 10 0 AFAERN Cc1cccc([C@@H]2CC[C@@H](O)C2)c1C 70771827 572738884 /nfs/dbraw/zinc/73/88/84/572738884.db2.gz GYVUHRDJYNEXSK-VXGBXAGGSA-N 0 0 190.286 2.932 10 0 AFAERN Cc1ccc(C)c([C@@H]2CC[C@H](O)C2)c1 70771279 572738935 /nfs/dbraw/zinc/73/89/35/572738935.db2.gz HUGGRTTYFIBSCA-NEPJUHHUSA-N 0 0 190.286 2.932 10 0 AFAERN O[C@@H]1CC[C@@H](CCc2ccccc2)C1 70771754 572739056 /nfs/dbraw/zinc/73/90/56/572739056.db2.gz PTDFHKBZWKRPBL-CHWSQXEVSA-N 0 0 190.286 2.780 10 0 AFAERN CCNc1cc(F)c2c(c1)N[C@@H](C)C2 713744122 572739064 /nfs/dbraw/zinc/73/90/64/572739064.db2.gz MJCLLJHCCSERDD-ZETCQYMHSA-N 0 0 194.253 2.614 10 0 AFAERN C[C@H]1CCC=C[C@H]1CCCCO 238483182 572739084 /nfs/dbraw/zinc/73/90/84/572739084.db2.gz YTQPOPZWKGZGCC-QWRGUYRKSA-N 0 0 168.280 2.751 10 0 AFAERN Fc1ccc(OCOCC2CC2)cc1 236188561 572739085 /nfs/dbraw/zinc/73/90/85/572739085.db2.gz VGLMAINBZMZDNL-UHFFFAOYSA-N 0 0 196.221 2.589 10 0 AFAERN O[C@H]1CC[C@H](CCc2cccs2)C1 70771858 572739464 /nfs/dbraw/zinc/73/94/64/572739464.db2.gz DHDGLYHGNZCBDY-ZJUUUORDSA-N 0 0 196.315 2.842 10 0 AFAERN CC[C@H]1CC[C@](O)(C(C)C)C1 70765255 572739199 /nfs/dbraw/zinc/73/91/99/572739199.db2.gz PTEGRIWEGTXNIP-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@@H]1CC[C@@H](CC2CCCC2)C1 70771063 572739222 /nfs/dbraw/zinc/73/92/22/572739222.db2.gz BPQRNYFVGXMAGX-WDEREUQCSA-N 0 0 168.280 2.728 10 0 AFAERN O[C@@H]1CC[C@@H](c2cc(F)cc(F)c2)C1 70771110 572739254 /nfs/dbraw/zinc/73/92/54/572739254.db2.gz KQMVSFHETXTSSA-RDDDGLTNSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CC[C@@H](CCc2ccccc2)C1 70771746 572739260 /nfs/dbraw/zinc/73/92/60/572739260.db2.gz PTDFHKBZWKRPBL-OLZOCXBDSA-N 0 0 190.286 2.780 10 0 AFAERN Cc1ccc(C)c([C@H]2CC[C@H](O)C2)c1 70771283 572739275 /nfs/dbraw/zinc/73/92/75/572739275.db2.gz HUGGRTTYFIBSCA-RYUDHWBXSA-N 0 0 190.286 2.932 10 0 AFAERN C[C@](Cl)(CO)CCc1ccccc1 238482184 572739295 /nfs/dbraw/zinc/73/92/95/572739295.db2.gz ORJSILOZYZGUGI-LLVKDONJSA-N 0 0 198.693 2.609 10 0 AFAERN C/C(=C/CO)CCc1cccs1 238477936 572739348 /nfs/dbraw/zinc/73/93/48/572739348.db2.gz VHNGSZNPVOKYKY-TWGQIWQCSA-N 0 0 182.288 2.619 10 0 AFAERN C[C@H](O[C@@H](C)[C@H](C)O)c1ccccc1 238482510 572739354 /nfs/dbraw/zinc/73/93/54/572739354.db2.gz JWPVVKJPTHYVDN-DCAQKATOSA-N 0 0 194.274 2.534 10 0 AFAERN O[C@@H]1CC[C@H](CC2CCCC2)C1 70771066 572739368 /nfs/dbraw/zinc/73/93/68/572739368.db2.gz BPQRNYFVGXMAGX-GHMZBOCLSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cc(C)c(N)c(-c2cccnc2)c1 238483065 572739388 /nfs/dbraw/zinc/73/93/88/572739388.db2.gz MECJCQGHAOMREV-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C[C@@H]1CC[C@](O)(c2cccs2)C1 70764454 572739431 /nfs/dbraw/zinc/73/94/31/572739431.db2.gz QBAIGVPAPYAPHT-PSASIEDQSA-N 0 0 182.288 2.756 10 0 AFAERN Cc1cc([C@@H]2CC[C@@H](O)C2)ccc1F 70771995 572739440 /nfs/dbraw/zinc/73/94/40/572739440.db2.gz UULXGQSMCUTEKI-GHMZBOCLSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1cccc([C@@H]2CC[C@H](O)C2)c1C 70771820 572739451 /nfs/dbraw/zinc/73/94/51/572739451.db2.gz GYVUHRDJYNEXSK-NEPJUHHUSA-N 0 0 190.286 2.932 10 0 AFAERN CC[C@H]1CC[C@@](O)(C(C)C)C1 70765259 572741630 /nfs/dbraw/zinc/74/16/30/572741630.db2.gz PTEGRIWEGTXNIP-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H](O)CCCC1CCCC1 70770161 572739586 /nfs/dbraw/zinc/73/95/86/572739586.db2.gz FTFBMCDWXKVJQL-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN O[C@H]1CC[C@@H](CCc2ccsc2)C1 70772001 572739710 /nfs/dbraw/zinc/73/97/10/572739710.db2.gz NCKJLEYLYZZHFT-KOLCDFICSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@H]1CC[C@H](C2CCCCC2)C1 70771460 572739746 /nfs/dbraw/zinc/73/97/46/572739746.db2.gz VJLDMROASVBSLC-QWRGUYRKSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc(CC[C@@H](C)O)c(C)c1 70770434 572739841 /nfs/dbraw/zinc/73/98/41/572739841.db2.gz AZHHTPCTRQWIEZ-LLVKDONJSA-N 0 0 178.275 2.617 10 0 AFAERN CCOCCCSC(C)(C)C 307895281 572739879 /nfs/dbraw/zinc/73/98/79/572739879.db2.gz HWCSMMZLNXREAU-UHFFFAOYSA-N 0 0 176.325 2.945 10 0 AFAERN C[C@H]1CC[C@@](O)(c2cccs2)C1 70764457 572739885 /nfs/dbraw/zinc/73/98/85/572739885.db2.gz QBAIGVPAPYAPHT-WPRPVWTQSA-N 0 0 182.288 2.756 10 0 AFAERN O[C@@H]1CC[C@H](CCc2cccs2)C1 70771864 572739906 /nfs/dbraw/zinc/73/99/06/572739906.db2.gz DHDGLYHGNZCBDY-NXEZZACHSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@H]1CCC=C[C@@H]1CCCCO 238483022 572739912 /nfs/dbraw/zinc/73/99/12/572739912.db2.gz YTQPOPZWKGZGCC-WDEREUQCSA-N 0 0 168.280 2.751 10 0 AFAERN CC[C@H]1CC[C@](O)(CC(C)C)C1 70765796 572739934 /nfs/dbraw/zinc/73/99/34/572739934.db2.gz QVHRYFFCUHNZRN-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(CC[C@H](C)O)c(C)c1 70770440 572739951 /nfs/dbraw/zinc/73/99/51/572739951.db2.gz AZHHTPCTRQWIEZ-NSHDSACASA-N 0 0 178.275 2.617 10 0 AFAERN C[C@@H]1CC[C@@](O)(c2cccs2)C1 70764456 572739970 /nfs/dbraw/zinc/73/99/70/572739970.db2.gz QBAIGVPAPYAPHT-SCZZXKLOSA-N 0 0 182.288 2.756 10 0 AFAERN CC[C@@H]1CCC[C@H](CCCO)C1 70769974 572740012 /nfs/dbraw/zinc/74/00/12/572740012.db2.gz LODAQNNGLQZNDK-GHMZBOCLSA-N 0 0 170.296 2.975 10 0 AFAERN Cc1cc([C@H]2CC[C@@H](O)C2)ccc1F 70771998 572740018 /nfs/dbraw/zinc/74/00/18/572740018.db2.gz UULXGQSMCUTEKI-WDEREUQCSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1ccccc1NC1=[NH+]CC=CC=C1 238478632 572740046 /nfs/dbraw/zinc/74/00/46/572740046.db2.gz YRGQOPNUBXPPRL-UHFFFAOYSA-N 0 0 198.269 2.931 10 0 AFAERN CC[C@H](C)CCC[C@@H](C)O 70770681 572740067 /nfs/dbraw/zinc/74/00/67/572740067.db2.gz IBCSSJYUKOBWLB-DTWKUNHWSA-N 0 0 144.258 2.584 10 0 AFAERN O[C@H]1CC[C@H](c2cc(F)cc(F)c2)C1 70771106 572740072 /nfs/dbraw/zinc/74/00/72/572740072.db2.gz KQMVSFHETXTSSA-CPCISQLKSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CC[C@H](CC2CCCC2)C1 70771060 572740137 /nfs/dbraw/zinc/74/01/37/572740137.db2.gz BPQRNYFVGXMAGX-MNOVXSKESA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H]1CC[C@](O)(C(C)C)C1 70765252 572740256 /nfs/dbraw/zinc/74/02/56/572740256.db2.gz PTEGRIWEGTXNIP-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](CC(C)C)C(=O)CSC 308108630 572740263 /nfs/dbraw/zinc/74/02/63/572740263.db2.gz LSAYLEHFDUKYKH-VIFPVBQESA-N 0 0 188.336 2.991 10 0 AFAERN O[C@H]1CC[C@@H](CC2CCCC2)C1 70771055 572740269 /nfs/dbraw/zinc/74/02/69/572740269.db2.gz BPQRNYFVGXMAGX-QWRGUYRKSA-N 0 0 168.280 2.728 10 0 AFAERN CCC[C@@]1(O)CC[C@H](CC)C1 70765685 572740312 /nfs/dbraw/zinc/74/03/12/572740312.db2.gz KFEPXBOOJLQYSX-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@H]1CC[C@](O)(Cc2ccccc2)C1 70764579 572740358 /nfs/dbraw/zinc/74/03/58/572740358.db2.gz NNEKUOHQAGALTJ-DGCLKSJQSA-N 0 0 190.286 2.780 10 0 AFAERN C[C@@H]1CC[C@@](O)(Cc2ccccc2)C1 70764584 572740418 /nfs/dbraw/zinc/74/04/18/572740418.db2.gz NNEKUOHQAGALTJ-YPMHNXCESA-N 0 0 190.286 2.780 10 0 AFAERN C[C@@H](O)CCCC1CCCC1 70770164 572740441 /nfs/dbraw/zinc/74/04/41/572740441.db2.gz FTFBMCDWXKVJQL-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@H]1CC[C@](O)(Cc2ccccc2)C1 70764581 572740447 /nfs/dbraw/zinc/74/04/47/572740447.db2.gz NNEKUOHQAGALTJ-WCQYABFASA-N 0 0 190.286 2.780 10 0 AFAERN O[C@H]1CCC[C@H](c2cccc(F)c2)C1 70774171 572741963 /nfs/dbraw/zinc/74/19/63/572741963.db2.gz YMYNPONETNZIRJ-JQWIXIFHSA-N 0 0 194.249 2.844 10 0 AFAERN CC[C@@H](C)CCC[C@@H](C)O 70770679 572740564 /nfs/dbraw/zinc/74/05/64/572740564.db2.gz IBCSSJYUKOBWLB-RKDXNWHRSA-N 0 0 144.258 2.584 10 0 AFAERN O[C@@H]1CC[C@@H](C2CCCCC2)C1 70771461 572740606 /nfs/dbraw/zinc/74/06/06/572740606.db2.gz VJLDMROASVBSLC-GHMZBOCLSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H](CC(C)C)C(=O)CSC 308108628 572740760 /nfs/dbraw/zinc/74/07/60/572740760.db2.gz LSAYLEHFDUKYKH-SECBINFHSA-N 0 0 188.336 2.991 10 0 AFAERN CCC[C@]1(O)CC[C@@H](CC)C1 70765688 572740767 /nfs/dbraw/zinc/74/07/67/572740767.db2.gz KFEPXBOOJLQYSX-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN O[C@@H]1CC[C@H](CCc2ccccc2)C1 70771757 572740789 /nfs/dbraw/zinc/74/07/89/572740789.db2.gz PTDFHKBZWKRPBL-QWHCGFSZSA-N 0 0 190.286 2.780 10 0 AFAERN CCC[C@]1(O)CC[C@H](CC)C1 70765684 572740797 /nfs/dbraw/zinc/74/07/97/572740797.db2.gz KFEPXBOOJLQYSX-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN O[C@@H]1CC[C@@H](CCc2ccsc2)C1 70772006 572740809 /nfs/dbraw/zinc/74/08/09/572740809.db2.gz NCKJLEYLYZZHFT-MWLCHTKSSA-N 0 0 196.315 2.842 10 0 AFAERN CC[C@@H]1CC[C@@](O)(C(C)C)C1 70765257 572740827 /nfs/dbraw/zinc/74/08/27/572740827.db2.gz PTEGRIWEGTXNIP-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@@H]1CC[C@H](CCc2ccsc2)C1 70772009 572740838 /nfs/dbraw/zinc/74/08/38/572740838.db2.gz NCKJLEYLYZZHFT-GXSJLCMTSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@@H]1CCC[C@H]([C@@H]2CC[C@H](O)C2)C1 70771223 572740896 /nfs/dbraw/zinc/74/08/96/572740896.db2.gz URRKWBJIMHZGNQ-KXNHARMFSA-N 0 0 182.307 2.974 10 0 AFAERN CCC[C@@]1(O)CC[C@@H](CC)C1 70765690 572740921 /nfs/dbraw/zinc/74/09/21/572740921.db2.gz KFEPXBOOJLQYSX-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@H](Nc1ncccc1N)C(C)C 49128232 572741001 /nfs/dbraw/zinc/74/10/01/572741001.db2.gz BIURUVPGHVYZGW-SNVBAGLBSA-N 0 0 193.294 2.510 10 0 AFAERN O[C@H]1CC[C@@H](CCc2cccs2)C1 70771856 572740988 /nfs/dbraw/zinc/74/09/88/572740988.db2.gz DHDGLYHGNZCBDY-UWVGGRQHSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@H]1CC[C@@H](c2cc(F)cc(F)c2)C1 70771103 572740997 /nfs/dbraw/zinc/74/09/97/572740997.db2.gz KQMVSFHETXTSSA-HQJQHLMTSA-N 0 0 198.212 2.593 10 0 AFAERN O[C@H]1CC[C@@H](C2CCCCC2)C1 70771456 572741079 /nfs/dbraw/zinc/74/10/79/572741079.db2.gz VJLDMROASVBSLC-MNOVXSKESA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H]1CC[C@](O)(CC(C)C)C1 70765793 572741212 /nfs/dbraw/zinc/74/12/12/572741212.db2.gz QVHRYFFCUHNZRN-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN O[C@H]1CC[C@H](CCc2ccsc2)C1 70772003 572741365 /nfs/dbraw/zinc/74/13/65/572741365.db2.gz NCKJLEYLYZZHFT-ONGXEEELSA-N 0 0 196.315 2.842 10 0 AFAERN COc1cc(C)ccc1[C@@H](O)C(C)C 234819787 572741366 /nfs/dbraw/zinc/74/13/66/572741366.db2.gz KEHHRPBQWZTYOE-LBPRGKRZSA-N 0 0 194.274 2.693 10 0 AFAERN C[C@H]1CC[C@@](O)(Cc2ccccc2)C1 70764585 572741479 /nfs/dbraw/zinc/74/14/79/572741479.db2.gz NNEKUOHQAGALTJ-AAEUAGOBSA-N 0 0 190.286 2.780 10 0 AFAERN Cc1ccc(C)c([C@@H]2CC[C@@H](O)C2)c1 70771286 572741485 /nfs/dbraw/zinc/74/14/85/572741485.db2.gz HUGGRTTYFIBSCA-VXGBXAGGSA-N 0 0 190.286 2.932 10 0 AFAERN CC[C@@H](C)CCC[C@H](C)O 70770685 572741489 /nfs/dbraw/zinc/74/14/89/572741489.db2.gz IBCSSJYUKOBWLB-BDAKNGLRSA-N 0 0 144.258 2.584 10 0 AFAERN CC[C@H]1CC[C@@](O)(CC(C)C)C1 70765800 572741491 /nfs/dbraw/zinc/74/14/91/572741491.db2.gz QVHRYFFCUHNZRN-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)/C=C(\C)Cc1ccccc1 221463755 572741498 /nfs/dbraw/zinc/74/14/98/572741498.db2.gz YLRXMJSDNIWAQQ-NHAQELONSA-N 0 0 190.286 2.946 10 0 AFAERN O[C@@H]1CC[C@H](C2CCCCC2)C1 70771473 572741572 /nfs/dbraw/zinc/74/15/72/572741572.db2.gz VJLDMROASVBSLC-WDEREUQCSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@]1(CCCCCO)C=CCC1 238474549 572741586 /nfs/dbraw/zinc/74/15/86/572741586.db2.gz CSEROCQHPBMNDL-LLVKDONJSA-N 0 0 168.280 2.895 10 0 AFAERN Cc1ccc(C)c([C@H]2CC[C@@H](O)C2)c1 70771288 572741592 /nfs/dbraw/zinc/74/15/92/572741592.db2.gz HUGGRTTYFIBSCA-NWDGAFQWSA-N 0 0 190.286 2.932 10 0 AFAERN C[C@H]1CC[C@](O)(c2cccs2)C1 70764455 572741601 /nfs/dbraw/zinc/74/16/01/572741601.db2.gz QBAIGVPAPYAPHT-WCBMZHEXSA-N 0 0 182.288 2.756 10 0 AFAERN Cc1cccc([C@H]2CC[C@H](O)C2)c1C 70771824 572741616 /nfs/dbraw/zinc/74/16/16/572741616.db2.gz GYVUHRDJYNEXSK-RYUDHWBXSA-N 0 0 190.286 2.932 10 0 AFAERN O[C@H]1CC[C@H](CCc2ccccc2)C1 70771750 572741618 /nfs/dbraw/zinc/74/16/18/572741618.db2.gz PTDFHKBZWKRPBL-STQMWFEESA-N 0 0 190.286 2.780 10 0 AFAERN O[C@@H]1CC[C@H](c2cc(F)cc(F)c2)C1 70771112 572741640 /nfs/dbraw/zinc/74/16/40/572741640.db2.gz KQMVSFHETXTSSA-WRWORJQWSA-N 0 0 198.212 2.593 10 0 AFAERN CCC/C=C\C[C@@H](O)C(C)C 307899413 572741672 /nfs/dbraw/zinc/74/16/72/572741672.db2.gz QKVKSOGCZBNKAR-JYESYGNLSA-N 0 0 156.269 2.750 10 0 AFAERN CCCC[C@@H](O)c1cnccc1C 85440388 572741740 /nfs/dbraw/zinc/74/17/40/572741740.db2.gz OLCRRYWJQUNUEJ-LLVKDONJSA-N 0 0 179.263 2.614 10 0 AFAERN C[C@]1(CCCCCO)C=CCC1 238489468 572741789 /nfs/dbraw/zinc/74/17/89/572741789.db2.gz CSEROCQHPBMNDL-NSHDSACASA-N 0 0 168.280 2.895 10 0 AFAERN O[C@H]1CCC[C@@H](Cc2cccs2)C1 70774624 572741877 /nfs/dbraw/zinc/74/18/77/572741877.db2.gz QSVXUHFWOYNZEP-ZJUUUORDSA-N 0 0 196.315 2.842 10 0 AFAERN Cc1[nH]cc(C(=O)c2ccccc2)c1C 238490011 572741890 /nfs/dbraw/zinc/74/18/90/572741890.db2.gz NOAFXGURMCZBOA-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN O[C@@H]1CCC[C@@H](c2cccs2)C1 70774549 572741935 /nfs/dbraw/zinc/74/19/35/572741935.db2.gz FCIWZYSZOIDJQF-RKDXNWHRSA-N 0 0 182.288 2.767 10 0 AFAERN O[C@H]1CCC[C@H](c2cccs2)C1 70774546 572742012 /nfs/dbraw/zinc/74/20/12/572742012.db2.gz FCIWZYSZOIDJQF-IUCAKERBSA-N 0 0 182.288 2.767 10 0 AFAERN O[C@@H]1CCC[C@H](c2cccc(F)c2)C1 70774176 572742086 /nfs/dbraw/zinc/74/20/86/572742086.db2.gz YMYNPONETNZIRJ-CMPLNLGQSA-N 0 0 194.249 2.844 10 0 AFAERN O[C@@H]1CCC[C@@H](Cc2cccs2)C1 70774631 572742133 /nfs/dbraw/zinc/74/21/33/572742133.db2.gz QSVXUHFWOYNZEP-NXEZZACHSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@H]1CCC[C@H](C2CCCC2)C1 70774158 572742162 /nfs/dbraw/zinc/74/21/62/572742162.db2.gz BWXWUXSZLHVJPG-QWRGUYRKSA-N 0 0 168.280 2.728 10 0 AFAERN O[C@H]1CCC[C@@H](C2CCCC2)C1 70774155 572742189 /nfs/dbraw/zinc/74/21/89/572742189.db2.gz BWXWUXSZLHVJPG-MNOVXSKESA-N 0 0 168.280 2.728 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1cnccc1C 85440405 572742286 /nfs/dbraw/zinc/74/22/86/572742286.db2.gz MTZRKNHGECSYBY-CMPLNLGQSA-N 0 0 193.290 2.860 10 0 AFAERN O[C@@H]1CCC[C@H](Cc2cccs2)C1 70774636 572742374 /nfs/dbraw/zinc/74/23/74/572742374.db2.gz QSVXUHFWOYNZEP-VHSXEESVSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@H]1CCC[C@@H](c2cccs2)C1 70774543 572742407 /nfs/dbraw/zinc/74/24/07/572742407.db2.gz FCIWZYSZOIDJQF-BDAKNGLRSA-N 0 0 182.288 2.767 10 0 AFAERN CCC[C@H](C)[C@H](O)c1cnccc1C 85440401 572742428 /nfs/dbraw/zinc/74/24/28/572742428.db2.gz MTZRKNHGECSYBY-JQWIXIFHSA-N 0 0 193.290 2.860 10 0 AFAERN O[C@@H]1CCC[C@H](C2CCCC2)C1 70774164 572742440 /nfs/dbraw/zinc/74/24/40/572742440.db2.gz BWXWUXSZLHVJPG-WDEREUQCSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ncc(CO)cc1-c1ccccc1 238474148 572742444 /nfs/dbraw/zinc/74/24/44/572742444.db2.gz VELBHIRSWPRCJC-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN O[C@H]1CCC[C@@H](c2cccc(F)c2)C1 70774166 572742465 /nfs/dbraw/zinc/74/24/65/572742465.db2.gz YMYNPONETNZIRJ-PWSUYJOCSA-N 0 0 194.249 2.844 10 0 AFAERN CCOCCCC(=O)CC1(C)CC1 689504357 572742486 /nfs/dbraw/zinc/74/24/86/572742486.db2.gz JDEFHSVOWDSCKB-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN O[C@H]1CCC[C@H](Cc2cccs2)C1 70774629 572742514 /nfs/dbraw/zinc/74/25/14/572742514.db2.gz QSVXUHFWOYNZEP-UWVGGRQHSA-N 0 0 196.315 2.842 10 0 AFAERN O[C@@H]1CCC[C@H](c2cccs2)C1 70774554 572742524 /nfs/dbraw/zinc/74/25/24/572742524.db2.gz FCIWZYSZOIDJQF-DTWKUNHWSA-N 0 0 182.288 2.767 10 0 AFAERN O[C@@H]1CCC[C@@H](c2cccc(F)c2)C1 70774173 572742533 /nfs/dbraw/zinc/74/25/33/572742533.db2.gz YMYNPONETNZIRJ-ZYHUDNBSSA-N 0 0 194.249 2.844 10 0 AFAERN Cc1cnccc1-c1ccc(N)cc1C 85424542 572742559 /nfs/dbraw/zinc/74/25/59/572742559.db2.gz RDXGUOCRTNJSRN-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN O[C@@H]1CCC[C@@H](C2CCCC2)C1 70774162 572742563 /nfs/dbraw/zinc/74/25/63/572742563.db2.gz BWXWUXSZLHVJPG-GHMZBOCLSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccncc1[C@H](O)CCC(C)C 85440985 572742841 /nfs/dbraw/zinc/74/28/41/572742841.db2.gz USQZDJQORDKPHC-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CCc1nc(-n2cccc2)sc1C 49185866 572745598 /nfs/dbraw/zinc/74/55/98/572745598.db2.gz SJVNWOHBPUWEKK-UHFFFAOYSA-N 0 0 192.287 2.805 10 0 AFAERN CCCC[C@H](O)c1cnccc1C 85440386 572742967 /nfs/dbraw/zinc/74/29/67/572742967.db2.gz OLCRRYWJQUNUEJ-NSHDSACASA-N 0 0 179.263 2.614 10 0 AFAERN Cc1ccc2cccc3c2c1C[C@@H]3CO 238497480 572742977 /nfs/dbraw/zinc/74/29/77/572742977.db2.gz QEQVDBAIWKCQCN-LLVKDONJSA-N 0 0 198.265 2.780 10 0 AFAERN Cc1ccc(-c2ccncc2C)cc1N 85424564 572743120 /nfs/dbraw/zinc/74/31/20/572743120.db2.gz VPRVGOSGJDXUBL-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccncc1[C@@H](O)CCC(C)C 85440987 572743282 /nfs/dbraw/zinc/74/32/82/572743282.db2.gz USQZDJQORDKPHC-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN CCC(CC)[C@@H](O)c1cnccc1C 85440287 572743464 /nfs/dbraw/zinc/74/34/64/572743464.db2.gz LLPUIJUVKGIFHV-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN Cc1ccccc1Cn1nccc1C 70821462 572746446 /nfs/dbraw/zinc/74/64/46/572746446.db2.gz HJXNZYJQCYHYGS-UHFFFAOYSA-N 0 0 186.258 2.548 10 0 AFAERN c1ccn(CCc2ccsc2)c1 49185872 572743602 /nfs/dbraw/zinc/74/36/02/572743602.db2.gz YHKNIIHDCXYDNE-UHFFFAOYSA-N 0 0 177.272 2.792 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1cnccc1C 85440399 572743973 /nfs/dbraw/zinc/74/39/73/572743973.db2.gz MTZRKNHGECSYBY-PWSUYJOCSA-N 0 0 193.290 2.860 10 0 AFAERN CCO[C@@H](C)C(=O)CCC(C)(C)C 70827615 572743992 /nfs/dbraw/zinc/74/39/92/572743992.db2.gz ZRFZWXBSJDLCAT-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN CC(=O)CC/C=C\OCC(C)C 307898124 572744045 /nfs/dbraw/zinc/74/40/45/572744045.db2.gz CVBQVWKRNATYIC-ALCCZGGFSA-N 0 0 170.252 2.542 10 0 AFAERN CCCCSc1ncc(C)cc1N 85426656 572744159 /nfs/dbraw/zinc/74/41/59/572744159.db2.gz OCLUKTMQSHXTIY-UHFFFAOYSA-N 0 0 196.319 2.864 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1cnccc1C 85440403 572744216 /nfs/dbraw/zinc/74/42/16/572744216.db2.gz MTZRKNHGECSYBY-ZYHUDNBSSA-N 0 0 193.290 2.860 10 0 AFAERN CCO[C@@H](C)[C@H](O)CCC(C)(C)C 70829010 572744308 /nfs/dbraw/zinc/74/43/08/572744308.db2.gz MWBOMMWCBBFVGO-VHSXEESVSA-N 0 0 188.311 2.599 10 0 AFAERN OCCC/C=C\c1cccs1 307897702 572744374 /nfs/dbraw/zinc/74/43/74/572744374.db2.gz NTGSVHRVCUYZEO-DJWKRKHSSA-N 0 0 168.261 2.534 10 0 AFAERN Cc1cc(C)c(-c2ccccc2)c(=O)[nH]1 238489252 572744384 /nfs/dbraw/zinc/74/43/84/572744384.db2.gz HETHOOVGOGYXNK-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN Cc1cc(-c2ccncc2C)ccc1N 85424575 572744388 /nfs/dbraw/zinc/74/43/88/572744388.db2.gz SOLWLEGSCKHXFG-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(N)c(-c2ccncc2C)c1 85424526 572744479 /nfs/dbraw/zinc/74/44/79/572744479.db2.gz ZIGQWVAJKLIYLX-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCCCCOc1ncc(C)cc1N 85426455 572744666 /nfs/dbraw/zinc/74/46/66/572744666.db2.gz AMXWZPPWNQHHPF-UHFFFAOYSA-N 0 0 194.278 2.541 10 0 AFAERN CC(=O)CC/C=C/OCC(C)C 307898125 572744689 /nfs/dbraw/zinc/74/46/89/572744689.db2.gz CVBQVWKRNATYIC-FNORWQNLSA-N 0 0 170.252 2.542 10 0 AFAERN Cc1cnccc1-c1cc(N)ccc1C 85424548 572744778 /nfs/dbraw/zinc/74/47/78/572744778.db2.gz SARULNORSJASST-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CC(C)/C(=C\CO)C(C)(C)C 307898153 572744822 /nfs/dbraw/zinc/74/48/22/572744822.db2.gz OAOPOGFPVVPNBN-RMKNXTFCSA-N 0 0 156.269 2.607 10 0 AFAERN Cc1cc2c(cc1F)NC[C@H](C)CN2 235328881 572744941 /nfs/dbraw/zinc/74/49/41/572744941.db2.gz GCXUGRKGQDJJNK-SSDOTTSWSA-N 0 0 194.253 2.608 10 0 AFAERN CC[NH2+]/C=C(\C)c1ccccc1 307906702 572745423 /nfs/dbraw/zinc/74/54/23/572745423.db2.gz XPDRBIFTOMLYBK-MDZDMXLPSA-N 0 0 161.248 2.657 10 0 AFAERN CC(C)CCc1nc2cc[nH]cc-2n1 70801559 572745112 /nfs/dbraw/zinc/74/51/12/572745112.db2.gz ASKHABHAQRMUMI-UHFFFAOYSA-N 0 0 189.262 2.547 10 0 AFAERN Cc1cc(C)c2ccccc2c1C(N)=O 238498972 572745465 /nfs/dbraw/zinc/74/54/65/572745465.db2.gz WMTVONVYLNCQKO-UHFFFAOYSA-N 0 0 199.253 2.556 10 0 AFAERN C/C=C\[C@@H]1[C@@H]2CCCC(=O)[C@@]21C 307906589 572745516 /nfs/dbraw/zinc/74/55/16/572745516.db2.gz RAMUQAHJNIACCV-ALCUBDKSSA-N 0 0 164.248 2.568 10 0 AFAERN CCC(CC)[C@H](O)c1cnccc1C 85440286 572745692 /nfs/dbraw/zinc/74/56/92/572745692.db2.gz LLPUIJUVKGIFHV-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN CC/C=C/CNc1cc(Cl)ncn1 307635660 572746085 /nfs/dbraw/zinc/74/60/85/572746085.db2.gz SBEINVKBMKDKNY-ONEGZZNKSA-N 0 0 197.669 2.508 10 0 AFAERN C/C=C\OC(C)(C)CCC(C)=O 307902825 572746248 /nfs/dbraw/zinc/74/62/48/572746248.db2.gz JJWWAXBIHXQUFR-YVMONPNESA-N 0 0 170.252 2.684 10 0 AFAERN c1ccn(-c2nc(C3CC3)cs2)c1 49236877 572747138 /nfs/dbraw/zinc/74/71/38/572747138.db2.gz WPULKGUHTQYWSP-UHFFFAOYSA-N 0 0 190.271 2.811 10 0 AFAERN CC(C)C[C@H](O)CC/C=C\Cl 307902325 572746487 /nfs/dbraw/zinc/74/64/87/572746487.db2.gz VTJPAZPBIPFEFT-XTULLQBASA-N 0 0 176.687 2.926 10 0 AFAERN CC/C=C\[C@@H](O)c1cccs1 307902605 572746516 /nfs/dbraw/zinc/74/65/16/572746516.db2.gz WGMCSUPTCAGBRZ-QIUOEGRZSA-N 0 0 168.261 2.748 10 0 AFAERN CCCC/C=C(\CC)CCO 307903001 572746541 /nfs/dbraw/zinc/74/65/41/572746541.db2.gz XCMBVDXQCOZFQI-JXMROGBWSA-N 0 0 156.269 2.895 10 0 AFAERN CC(=O)[C@@H]1C=CC[C@H](F)CCC1 307902220 572746566 /nfs/dbraw/zinc/74/65/66/572746566.db2.gz IDMSMIAHDIBMIT-ZJUUUORDSA-N 0 0 170.227 2.660 10 0 AFAERN O[C@H]1CCC=CCCC=C1Cl 307902592 572746587 /nfs/dbraw/zinc/74/65/87/572746587.db2.gz WFHVNJUUXAGDSN-VIFPVBQESA-N 0 0 172.655 2.600 10 0 AFAERN CC(C)(C)[C@H](O)CC/C=C\Cl 307902302 572746615 /nfs/dbraw/zinc/74/66/15/572746615.db2.gz VONYAYZAAQRTFS-GRKOMRHMSA-N 0 0 176.687 2.926 10 0 AFAERN Cc1ccncc1CCC(=O)C(C)C 85442680 572746653 /nfs/dbraw/zinc/74/66/53/572746653.db2.gz PYVDESBOOFLAHL-UHFFFAOYSA-N 0 0 191.274 2.548 10 0 AFAERN C/C=C\[C@@H](C)[C@H](O)C(C)(C)C 307902607 572746706 /nfs/dbraw/zinc/74/67/06/572746706.db2.gz WGUBRLRUJHQOTQ-WVXMWNJGSA-N 0 0 156.269 2.606 10 0 AFAERN Cc1ccc(N[C@H]2CCC[C@H]2C)nc1 70833242 572747381 /nfs/dbraw/zinc/74/73/81/572747381.db2.gz VNWCSMVSNRNQHG-MNOVXSKESA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccc(N[C@@H]2CCC[C@H]2C)nc1 70833238 572746864 /nfs/dbraw/zinc/74/68/64/572746864.db2.gz VNWCSMVSNRNQHG-GHMZBOCLSA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@H](C)/C=C/C=C\[C@@H](C)O 307902705 572746934 /nfs/dbraw/zinc/74/69/34/572746934.db2.gz WSTYTGMGNCBUPW-JBDSKBCDSA-N 0 0 154.253 2.526 10 0 AFAERN CC(C)OCCSC(C)(C)C 307902910 572747016 /nfs/dbraw/zinc/74/70/16/572747016.db2.gz OYKAHJXJRWZEJA-UHFFFAOYSA-N 0 0 176.325 2.943 10 0 AFAERN CC(C)=C/C=C\[C@H](C)[C@@H](C)O 307901569 572747020 /nfs/dbraw/zinc/74/70/20/572747020.db2.gz ULIRQZURIDDABP-ZBOIFRAGSA-N 0 0 154.253 2.526 10 0 AFAERN CC(C)=C/C=C\[C@H](C)[C@H](C)O 307901568 572747191 /nfs/dbraw/zinc/74/71/91/572747191.db2.gz ULIRQZURIDDABP-XTKVZWQSSA-N 0 0 154.253 2.526 10 0 AFAERN c1ccn(C(C2CC2)C2CC2)c1 49236885 572747226 /nfs/dbraw/zinc/74/72/26/572747226.db2.gz ZEIDVZDZBINTMA-UHFFFAOYSA-N 0 0 161.248 2.849 10 0 AFAERN CC/C=C\[C@H](O)c1cccs1 307902603 572747266 /nfs/dbraw/zinc/74/72/66/572747266.db2.gz WGMCSUPTCAGBRZ-NHLYECAPSA-N 0 0 168.261 2.748 10 0 AFAERN CC(C)C[C@@H](O)CC/C=C\Cl 307902324 572747330 /nfs/dbraw/zinc/74/73/30/572747330.db2.gz VTJPAZPBIPFEFT-RNEXMXFGSA-N 0 0 176.687 2.926 10 0 AFAERN CC[Si](C)(/C=C\[C@H](C)O)CC 307908128 572747424 /nfs/dbraw/zinc/74/74/24/572747424.db2.gz DASABXLCZQGDGK-FUOZMLNRSA-N 0 0 172.344 2.581 10 0 AFAERN CC[C@@H](O)/C=C\C[Si](C)(C)C 307902581 572747464 /nfs/dbraw/zinc/74/74/64/572747464.db2.gz WCKXTKDIXIXSFK-ATJFRQLMSA-N 0 0 172.344 2.652 10 0 AFAERN C/C=C(/C)CC/C=C\CCO 307901738 572747483 /nfs/dbraw/zinc/74/74/83/572747483.db2.gz UYKSUPVLFVKXSE-JXQVMNEHSA-N 0 0 154.253 2.671 10 0 AFAERN C[C@H](O)c1csc(CC(C)(C)C)n1 70843549 572747621 /nfs/dbraw/zinc/74/76/21/572747621.db2.gz REEBFKPBZSPBDN-ZETCQYMHSA-N 0 0 199.319 2.785 10 0 AFAERN C/C=C(\C)CC/C=C/CCO 307901740 572747623 /nfs/dbraw/zinc/74/76/23/572747623.db2.gz UYKSUPVLFVKXSE-RUQOPNIZSA-N 0 0 154.253 2.671 10 0 AFAERN Cc1ccc([C@@H](C)n2cccc2)o1 49224426 572747642 /nfs/dbraw/zinc/74/76/42/572747642.db2.gz SGCSOTNLJZQDSN-SNVBAGLBSA-N 0 0 175.231 2.999 10 0 AFAERN CC(=O)[C@H]1C=CC[C@H](F)CCC1 307902219 572747650 /nfs/dbraw/zinc/74/76/50/572747650.db2.gz IDMSMIAHDIBMIT-UWVGGRQHSA-N 0 0 170.227 2.660 10 0 AFAERN Cc1cccnc1N[C@H]1CCC[C@@H]1C 70832641 572747651 /nfs/dbraw/zinc/74/76/51/572747651.db2.gz MORHOCCRXQAKNW-ONGXEEELSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccc(C)c(C[C@@H](O)C2CC2)c1 49257861 572747659 /nfs/dbraw/zinc/74/76/59/572747659.db2.gz KKVABDWWNMQESY-CYBMUJFWSA-N 0 0 190.286 2.617 10 0 AFAERN C[C@@H](O)c1csc(CC(C)(C)C)n1 70843560 572747690 /nfs/dbraw/zinc/74/76/90/572747690.db2.gz REEBFKPBZSPBDN-SSDOTTSWSA-N 0 0 199.319 2.785 10 0 AFAERN CC[C@H](C)/C=C/C=C\[C@H](C)O 307902707 572747726 /nfs/dbraw/zinc/74/77/26/572747726.db2.gz WSTYTGMGNCBUPW-WNXQNZHCSA-N 0 0 154.253 2.526 10 0 AFAERN O[C@@H]1CCC=CCCC=C1Cl 307902591 572747733 /nfs/dbraw/zinc/74/77/33/572747733.db2.gz WFHVNJUUXAGDSN-SECBINFHSA-N 0 0 172.655 2.600 10 0 AFAERN O[C@H]1C=CCCCCCCC1 307903029 572747779 /nfs/dbraw/zinc/74/77/79/572747779.db2.gz XJQXDOBPFZTUMJ-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)(C)[C@@H](O)CC/C=C\Cl 307902303 572747787 /nfs/dbraw/zinc/74/77/87/572747787.db2.gz VONYAYZAAQRTFS-TVSKSKRASA-N 0 0 176.687 2.926 10 0 AFAERN Cc1ccc(N[C@@H]2CCC[C@@H]2C)nc1 70833232 572747835 /nfs/dbraw/zinc/74/78/35/572747835.db2.gz VNWCSMVSNRNQHG-WDEREUQCSA-N 0 0 190.290 2.991 10 0 AFAERN C/C=C(\C)CC/C=C\CCO 307901739 572747865 /nfs/dbraw/zinc/74/78/65/572747865.db2.gz UYKSUPVLFVKXSE-MZTCIMCMSA-N 0 0 154.253 2.671 10 0 AFAERN Cc1ccc(N[C@H]2CCC[C@@H]2C)nc1 70833235 572747921 /nfs/dbraw/zinc/74/79/21/572747921.db2.gz VNWCSMVSNRNQHG-QWRGUYRKSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccc([C@H](C)n2cccc2)o1 49224430 572748201 /nfs/dbraw/zinc/74/82/01/572748201.db2.gz SGCSOTNLJZQDSN-JTQLQIEISA-N 0 0 175.231 2.999 10 0 AFAERN S=c1[nH]ccn1C(C1CC1)C1CC1 49236111 572748075 /nfs/dbraw/zinc/74/80/75/572748075.db2.gz WLEGGPXVHMPEII-UHFFFAOYSA-N 0 0 194.303 2.907 10 0 AFAERN CC[Si](C)(/C=C\[C@@H](C)O)CC 307908134 572748208 /nfs/dbraw/zinc/74/82/08/572748208.db2.gz DASABXLCZQGDGK-UFGYOYAJSA-N 0 0 172.344 2.581 10 0 AFAERN CC/C=C/CC[C@@H](C)[C@H](C)O 307902980 572748117 /nfs/dbraw/zinc/74/81/17/572748117.db2.gz WVAJPHMGNAXSJQ-ROSGPLSXSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@H](O)/C=C\C[Si](C)(C)C 307902582 572748136 /nfs/dbraw/zinc/74/81/36/572748136.db2.gz WCKXTKDIXIXSFK-NMTCXDENSA-N 0 0 172.344 2.652 10 0 AFAERN O[C@@H]1C=CCCCCCCC1 307903030 572748161 /nfs/dbraw/zinc/74/81/61/572748161.db2.gz XJQXDOBPFZTUMJ-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC(=O)CCc1cnccc1C 85442678 572748162 /nfs/dbraw/zinc/74/81/62/572748162.db2.gz DXNIEADRXUKIJL-UHFFFAOYSA-N 0 0 191.274 2.692 10 0 AFAERN C=C/C=C\CCNc1ncccc1C 713486540 572748568 /nfs/dbraw/zinc/74/85/68/572748568.db2.gz DIIMHAXTMXQQCY-PLNGDYQASA-N 0 0 188.274 2.934 10 0 AFAERN Cc1ccc(N)c(-c2cnccc2C)c1 85441867 572748588 /nfs/dbraw/zinc/74/85/88/572748588.db2.gz KVGICFUUYUSIFZ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN C/C=C\C[C@@H](O)C(CC)CC 307904906 572748638 /nfs/dbraw/zinc/74/86/38/572748638.db2.gz ZUQRBRLIRCIYSP-ISGFRBBESA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@](C)(O)c1cc(C)ccc1F 55191885 572748793 /nfs/dbraw/zinc/74/87/93/572748793.db2.gz PDSPMAYTYGZKBP-NSHDSACASA-N 0 0 182.238 2.752 10 0 AFAERN COC[C@@H](C)Oc1cc(C)ccc1C 87924056 572748815 /nfs/dbraw/zinc/74/88/15/572748815.db2.gz OUUDBOLWUMPPKF-LLVKDONJSA-N 0 0 194.274 2.717 10 0 AFAERN Cc1cccnc1N[C@H]1CCC[C@H]1C 70832648 572748819 /nfs/dbraw/zinc/74/88/19/572748819.db2.gz MORHOCCRXQAKNW-KOLCDFICSA-N 0 0 190.290 2.991 10 0 AFAERN C/C=C\C[C@H](O)C(CC)CC 307904910 572748883 /nfs/dbraw/zinc/74/88/83/572748883.db2.gz ZUQRBRLIRCIYSP-VAWSOJLPSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1cc(-c2cnccc2C)ccc1N 85441907 572749079 /nfs/dbraw/zinc/74/90/79/572749079.db2.gz MCGPIBZLARWYGH-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN O[C@H]1CC=CCCCCCC1 307905284 572749081 /nfs/dbraw/zinc/74/90/81/572749081.db2.gz AXVSGHCXIYGURH-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cccnc1N[C@@H]1CCC[C@@H]1C 70832637 572749108 /nfs/dbraw/zinc/74/91/08/572749108.db2.gz MORHOCCRXQAKNW-GXSJLCMTSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccc(C)c(C[C@H](O)C2CC2)c1 49257859 572749122 /nfs/dbraw/zinc/74/91/22/572749122.db2.gz KKVABDWWNMQESY-ZDUSSCGKSA-N 0 0 190.286 2.617 10 0 AFAERN Cc1ccc(C)c(C[C@H](O)C(C)C)c1 49257825 572749051 /nfs/dbraw/zinc/74/90/51/572749051.db2.gz BKCOTDGAVXNXQQ-ZDUSSCGKSA-N 0 0 192.302 2.863 10 0 AFAERN CC(C)=C/C=C(/Cl)C[C@@H](C)O 307904053 572749052 /nfs/dbraw/zinc/74/90/52/572749052.db2.gz YRHWHRZZTMPFDB-CBVZUMJXSA-N 0 0 174.671 2.846 10 0 AFAERN Cc1ccc(C)c(C[C@@H](O)C(C)C)c1 49257827 572749240 /nfs/dbraw/zinc/74/92/40/572749240.db2.gz BKCOTDGAVXNXQQ-CYBMUJFWSA-N 0 0 192.302 2.863 10 0 AFAERN CC[C@@](C)(O)c1cc(C)ccc1F 55191889 572749285 /nfs/dbraw/zinc/74/92/85/572749285.db2.gz PDSPMAYTYGZKBP-LLVKDONJSA-N 0 0 182.238 2.752 10 0 AFAERN CCC(=O)Cc1cc(C)ccc1C 49257681 572749251 /nfs/dbraw/zinc/74/92/51/572749251.db2.gz AIGSWRTUTQPNER-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN CC(C)=C/C=C(/Cl)C[C@H](C)O 307904056 572749261 /nfs/dbraw/zinc/74/92/61/572749261.db2.gz YRHWHRZZTMPFDB-MOIHINDBSA-N 0 0 174.671 2.846 10 0 AFAERN C/C=C\[C@@H]1C[C@H](/C=C/C)N=N1 307904191 572749389 /nfs/dbraw/zinc/74/93/89/572749389.db2.gz YXEMIGMXJXXMEE-DXTSGHODSA-N 0 0 150.225 2.732 10 0 AFAERN C/C=C\[C@H](C)[C@@H]1CCC(=O)[C@@H]1C 307904443 572749450 /nfs/dbraw/zinc/74/94/50/572749450.db2.gz NMENAPSQVSYVHC-XEJFTZQJSA-N 0 0 166.264 2.814 10 0 AFAERN C/C=C\[C@H]1C[C@@H](/C=C/C)N=N1 307904187 572749498 /nfs/dbraw/zinc/74/94/98/572749498.db2.gz YXEMIGMXJXXMEE-AZBCCFMHSA-N 0 0 150.225 2.732 10 0 AFAERN CSc1c(Cl)cccc1CO 235246239 572749500 /nfs/dbraw/zinc/74/95/00/572749500.db2.gz LZQCMINQHAKMKF-UHFFFAOYSA-N 0 0 188.679 2.554 10 0 AFAERN O=C1C[C@@H]2CCC=CCC[C@H]2C1 307905519 572749529 /nfs/dbraw/zinc/74/95/29/572749529.db2.gz PLKCFGVJRKAPIB-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN C/C=C1\CC[C@]2(C)C(=O)CC[C@@H]12 307904732 572749711 /nfs/dbraw/zinc/74/97/11/572749711.db2.gz OIXYPWXLOSROOX-SFKRVLMUSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@H]1[C@H]2CCCCC=C[C@@H]21 307905482 572749729 /nfs/dbraw/zinc/74/97/29/572749729.db2.gz PAJMYMXWGZLMGS-GARJFASQSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)[C@@H]1[C@@H]2C=CCCCC[C@H]21 307905483 572749734 /nfs/dbraw/zinc/74/97/34/572749734.db2.gz PAJMYMXWGZLMGS-GMTAPVOTSA-N 0 0 164.248 2.568 10 0 AFAERN C/C=C(/CO)CCCCCC 307904800 572749773 /nfs/dbraw/zinc/74/97/73/572749773.db2.gz ZMXYDALNQOKTEV-ONNFQVAWSA-N 0 0 156.269 2.895 10 0 AFAERN Cc1ccc(F)c([C@@](C)(O)C2CC2)c1 55192143 572749775 /nfs/dbraw/zinc/74/97/75/572749775.db2.gz IFDOERIRUWQNBG-LBPRGKRZSA-N 0 0 194.249 2.752 10 0 AFAERN CC(=O)[C@@H]1[C@H]2C=CCCCC[C@@H]12 307905484 572749953 /nfs/dbraw/zinc/74/99/53/572749953.db2.gz PAJMYMXWGZLMGS-HBNTYKKESA-N 0 0 164.248 2.568 10 0 AFAERN C/C=C\[C@H](C)[C@@H]1CCC(=O)[C@H]1C 307904440 572749961 /nfs/dbraw/zinc/74/99/61/572749961.db2.gz NMENAPSQVSYVHC-KXEGTFGRSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1c2cccccc-2c(C(N)=O)c1C 238498798 572750074 /nfs/dbraw/zinc/75/00/74/572750074.db2.gz ZNMOYGKUZIZCEV-UHFFFAOYSA-N 0 0 199.253 2.507 10 0 AFAERN Cc1cccnc1N[C@@H]1CCC[C@H]1C 70832644 572750075 /nfs/dbraw/zinc/75/00/75/572750075.db2.gz MORHOCCRXQAKNW-MWLCHTKSSA-N 0 0 190.290 2.991 10 0 AFAERN C/C=C1\CC[C@]2(C)C(=O)CC[C@H]12 307904733 572750081 /nfs/dbraw/zinc/75/00/81/572750081.db2.gz OIXYPWXLOSROOX-XNDMFGJTSA-N 0 0 164.248 2.712 10 0 AFAERN COC[C@H](C)Oc1cc(C)ccc1C 87924055 572750364 /nfs/dbraw/zinc/75/03/64/572750364.db2.gz OUUDBOLWUMPPKF-NSHDSACASA-N 0 0 194.274 2.717 10 0 AFAERN CCC(=O)[C@@H](C)OCC1CCCC1 85488747 572750630 /nfs/dbraw/zinc/75/06/30/572750630.db2.gz HKXFXMHGGXGSEK-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1cc(C)c2cc3c(cc2n1)CCN3 238507182 572750663 /nfs/dbraw/zinc/75/06/63/572750663.db2.gz SBAIBFBSQKPPNM-UHFFFAOYSA-N 0 0 198.269 2.820 10 0 AFAERN CC(=O)CCCCOCC1CCCC1 85488781 572750668 /nfs/dbraw/zinc/75/06/68/572750668.db2.gz LRLNLSTZTJAKBM-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN Cc1c(N)cnc2cc3c(cc12)CCC3 238505994 572750679 /nfs/dbraw/zinc/75/06/79/572750679.db2.gz DAUCRQLCPXVCKX-UHFFFAOYSA-N 0 0 198.269 2.614 10 0 AFAERN C[C@@H](C(=O)OC(C)(C)C)c1ccco1 85495188 572750733 /nfs/dbraw/zinc/75/07/33/572750733.db2.gz LTKCNEFZNBUDHU-MRVPVSSYSA-N 0 0 196.246 2.725 10 0 AFAERN CCOCOc1cc(C)ccc1C 87924070 572750964 /nfs/dbraw/zinc/75/09/64/572750964.db2.gz RROHCOMFRPQJBQ-UHFFFAOYSA-N 0 0 180.247 2.676 10 0 AFAERN Cc1[nH]c2ccc3cnn(C)c3c2c1C 238501412 572751035 /nfs/dbraw/zinc/75/10/35/572751035.db2.gz BJVMJZCPLCIQOM-UHFFFAOYSA-N 0 0 199.257 2.671 10 0 AFAERN Cc1ccc(F)c([C@](C)(O)C2CC2)c1 55192140 572751159 /nfs/dbraw/zinc/75/11/59/572751159.db2.gz IFDOERIRUWQNBG-GFCCVEGCSA-N 0 0 194.249 2.752 10 0 AFAERN C[C@@H](C(=O)OC(C)(C)C)c1ccoc1 85495181 572751241 /nfs/dbraw/zinc/75/12/41/572751241.db2.gz OEKAFJXMWYVARL-MRVPVSSYSA-N 0 0 196.246 2.725 10 0 AFAERN CC(=O)C[C@H](C)OCC1CCCC1 85488715 572751449 /nfs/dbraw/zinc/75/14/49/572751449.db2.gz YKTBVHFGJWOCTI-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)SCC(=O)CCCCF 308112706 572751614 /nfs/dbraw/zinc/75/16/14/572751614.db2.gz KUXSLECFWNBJKP-UHFFFAOYSA-N 0 0 192.299 2.837 10 0 AFAERN CC(=O)C[C@]12C[C@H]1CC(C)(C)C2 196899434 572751919 /nfs/dbraw/zinc/75/19/19/572751919.db2.gz REMNSNHFCHGLOZ-MWLCHTKSSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1[nH]c2ccc3cn(C)nc3c2c1C 238501389 572752048 /nfs/dbraw/zinc/75/20/48/572752048.db2.gz UHXJNFXFTIVLPB-UHFFFAOYSA-N 0 0 199.257 2.671 10 0 AFAERN Cc1ccc(F)c([C@@H](O)C2CC2)c1 55202205 572752091 /nfs/dbraw/zinc/75/20/91/572752091.db2.gz IWMPXRGUCHCYEU-NSHDSACASA-N 0 0 180.222 2.578 10 0 AFAERN Cc1[nH]nc2occ(-c3cccnc3)c12 238507693 572752147 /nfs/dbraw/zinc/75/21/47/572752147.db2.gz ZUNOADHRSCIHPX-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN Cc1ccc(F)c([C@H](O)C2CC2)c1 55202202 572752212 /nfs/dbraw/zinc/75/22/12/572752212.db2.gz IWMPXRGUCHCYEU-LLVKDONJSA-N 0 0 180.222 2.578 10 0 AFAERN CSC(=N)c1ccc(F)cc1 117697032 572752245 /nfs/dbraw/zinc/75/22/45/572752245.db2.gz JIZNEVWLRNNHDY-UHFFFAOYSA-N 0 0 169.224 2.514 10 0 AFAERN C[C@@H](Nc1ccc(F)nc1)C1(C)CC1 235247874 572752255 /nfs/dbraw/zinc/75/22/55/572752255.db2.gz JGEPVBSWKRAVCW-MRVPVSSYSA-N 0 0 194.253 2.821 10 0 AFAERN Cc1cc(F)ccc1[C@@H](O)C(C)C 55201829 572752269 /nfs/dbraw/zinc/75/22/69/572752269.db2.gz XGXCGZJVELHXBF-NSHDSACASA-N 0 0 182.238 2.824 10 0 AFAERN C/C(=C\CCC(C)C)CCO 117740518 572752304 /nfs/dbraw/zinc/75/23/04/572752304.db2.gz SEUIFHOWHCXOJO-UXBLZVDNSA-N 0 0 156.269 2.751 10 0 AFAERN CC(C)(C)C(=O)COCC1CCCC1 85488718 572752350 /nfs/dbraw/zinc/75/23/50/572752350.db2.gz YJZFKIIUBKYHOT-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN C[C@H](C(=O)OC(C)(C)C)c1ccco1 85495184 572752389 /nfs/dbraw/zinc/75/23/89/572752389.db2.gz LTKCNEFZNBUDHU-QMMMGPOBSA-N 0 0 196.246 2.725 10 0 AFAERN Cc1cc(F)ccc1[C@H](O)C(C)C 55201826 572753432 /nfs/dbraw/zinc/75/34/32/572753432.db2.gz XGXCGZJVELHXBF-LLVKDONJSA-N 0 0 182.238 2.824 10 0 AFAERN CCC(=O)[C@H](C)OCC1CCCC1 85488750 572752432 /nfs/dbraw/zinc/75/24/32/572752432.db2.gz HKXFXMHGGXGSEK-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H](C)C[C@H](C)/C=C\CCO 308112134 572752554 /nfs/dbraw/zinc/75/25/54/572752554.db2.gz KOJIXHWEDIEXSB-OJTYSEKASA-N 0 0 170.296 2.997 10 0 AFAERN Cc1ccc(F)c([C@@H](O)C(C)C)c1 55201834 572752563 /nfs/dbraw/zinc/75/25/63/572752563.db2.gz AYZIBGFYKONTFJ-NSHDSACASA-N 0 0 182.238 2.824 10 0 AFAERN CC(C)(C)C[C@H](O)CCCCF 308112200 572752577 /nfs/dbraw/zinc/75/25/77/572752577.db2.gz KPNZOPYEBLFNMV-SECBINFHSA-N 0 0 176.275 2.923 10 0 AFAERN CC(C)C(=O)CCC(F)(F)F 70915055 572752628 /nfs/dbraw/zinc/75/26/28/572752628.db2.gz GOHJXEJZPODSLI-UHFFFAOYSA-N 0 0 168.158 2.554 10 0 AFAERN C=C/C=C/CCC(=O)[C@@H]1CC[C@@H](C)O1 713744760 572752689 /nfs/dbraw/zinc/75/26/89/572752689.db2.gz JCRMFPZVAZJSTP-PRANIUCASA-N 0 0 194.274 2.645 10 0 AFAERN CC(=O)C[C@@H](C)OCC1CCCC1 85488717 572752698 /nfs/dbraw/zinc/75/26/98/572752698.db2.gz YKTBVHFGJWOCTI-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)CCCOCC1CCCC1 85488731 572752712 /nfs/dbraw/zinc/75/27/12/572752712.db2.gz ZYDQGJTTYVUMFI-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN Cc1cc(F)ccc1[C@@H](O)C1CC1 55202198 572753034 /nfs/dbraw/zinc/75/30/34/572753034.db2.gz AUPMJMJKLXQFIV-NSHDSACASA-N 0 0 180.222 2.578 10 0 AFAERN CC1=C2CCC[C@@H]2CCC(=O)C1 196899323 572753176 /nfs/dbraw/zinc/75/31/76/572753176.db2.gz RTXYJJLYBZOKJW-SECBINFHSA-N 0 0 164.248 2.856 10 0 AFAERN C[C@H](C(=O)OC(C)(C)C)c1ccoc1 85495179 572753250 /nfs/dbraw/zinc/75/32/50/572753250.db2.gz OEKAFJXMWYVARL-QMMMGPOBSA-N 0 0 196.246 2.725 10 0 AFAERN CCOC(=O)CCc1csc(C)c1 85491063 572753337 /nfs/dbraw/zinc/75/33/37/572753337.db2.gz QMHAJTDDVQZARH-UHFFFAOYSA-N 0 0 198.287 2.552 10 0 AFAERN O[C@H](CCC(F)(F)F)C1CCCC1 70915613 572753351 /nfs/dbraw/zinc/75/33/51/572753351.db2.gz YXRMSLUAQJPRJG-MRVPVSSYSA-N 0 0 196.212 2.880 10 0 AFAERN C/C=C\CC[C@H](C)[C@H](C)CO 307908870 572753371 /nfs/dbraw/zinc/75/33/71/572753371.db2.gz FBWKDVVNKJVDPA-YVDHIRPGSA-N 0 0 156.269 2.607 10 0 AFAERN CCCC(=O)COCC1CCCC1 85488743 572753403 /nfs/dbraw/zinc/75/34/03/572753403.db2.gz CVVYAHVFQMFHQG-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@H]1Nc1cn[nH]c1 235248023 572753517 /nfs/dbraw/zinc/75/35/17/572753517.db2.gz WKOLCRKHLBQMAX-SCZZXKLOSA-N 0 0 193.294 2.646 10 0 AFAERN Cc1cc(F)ccc1[C@H](O)C1CC1 55202195 572753587 /nfs/dbraw/zinc/75/35/87/572753587.db2.gz AUPMJMJKLXQFIV-LLVKDONJSA-N 0 0 180.222 2.578 10 0 AFAERN CC1=C2CCC[C@H]2CCC(=O)C1 196899333 572753640 /nfs/dbraw/zinc/75/36/40/572753640.db2.gz RTXYJJLYBZOKJW-VIFPVBQESA-N 0 0 164.248 2.856 10 0 AFAERN Cc1ccccc1-n1c(C)ccc1C=O 238502437 572753651 /nfs/dbraw/zinc/75/36/51/572753651.db2.gz POXZYOJQRFEMKJ-UHFFFAOYSA-N 0 0 199.253 2.907 10 0 AFAERN CC(=O)C[C@@]12C[C@@H]1CC(C)(C)C2 196899408 572753877 /nfs/dbraw/zinc/75/38/77/572753877.db2.gz REMNSNHFCHGLOZ-ONGXEEELSA-N 0 0 166.264 2.792 10 0 AFAERN CCCNc1ccc2c(c1)C[C@H](C)N2 713745633 572754109 /nfs/dbraw/zinc/75/41/09/572754109.db2.gz VTPGYWGWGCEVGB-VIFPVBQESA-N 0 0 190.290 2.865 10 0 AFAERN Cc1ccc(F)c([C@H](O)C(C)C)c1 55201830 572754423 /nfs/dbraw/zinc/75/44/23/572754423.db2.gz AYZIBGFYKONTFJ-LLVKDONJSA-N 0 0 182.238 2.824 10 0 AFAERN CCc1c(C)cccc1NC(C)=O 196882776 572754481 /nfs/dbraw/zinc/75/44/81/572754481.db2.gz SQMRZTQVVREAAO-UHFFFAOYSA-N 0 0 177.247 2.516 10 0 AFAERN C/C=C/CNc1ccc(F)c(OC)c1 234823575 572754551 /nfs/dbraw/zinc/75/45/51/572754551.db2.gz PBXRDZDOUGIYHG-ONEGZZNKSA-N 0 0 195.237 2.822 10 0 AFAERN C/C=C(\C)CCCCCCO 307909704 572754584 /nfs/dbraw/zinc/75/45/84/572754584.db2.gz GLZCILQXECHDQF-XCVCLJGOSA-N 0 0 156.269 2.895 10 0 AFAERN C/C(=C\Cl)CNn1c(C)ccc1C 308113309 572755238 /nfs/dbraw/zinc/75/52/38/572755238.db2.gz RQLCPEUNUJOLMS-SOFGYWHQSA-N 0 0 198.697 2.791 10 0 AFAERN OC[C@@H]1CCC[C@H]1c1ccccc1 196886993 572754834 /nfs/dbraw/zinc/75/48/34/572754834.db2.gz CIGNCMVFJXCCMW-RYUDHWBXSA-N 0 0 176.259 2.563 10 0 AFAERN CC[C@@](C)(O)c1ccc(F)cc1F 55238151 572755240 /nfs/dbraw/zinc/75/52/40/572755240.db2.gz PIOLTSVWKGGMDX-SNVBAGLBSA-N 0 0 186.201 2.582 10 0 AFAERN OC[C@@H]1CCC[C@@H]1c1ccccc1 196887000 572754985 /nfs/dbraw/zinc/75/49/85/572754985.db2.gz CIGNCMVFJXCCMW-NWDGAFQWSA-N 0 0 176.259 2.563 10 0 AFAERN C/C(=C\c1cc(F)ccc1C)[C@@H](C)O 235250995 572755036 /nfs/dbraw/zinc/75/50/36/572755036.db2.gz HKNGFCQGNFDMPM-OLKPEBQYSA-N 0 0 194.249 2.918 10 0 AFAERN CC[C@@](C)(O)c1cc(F)ccc1F 55242519 572755071 /nfs/dbraw/zinc/75/50/71/572755071.db2.gz LDUWFGMEXHYSCA-SNVBAGLBSA-N 0 0 186.201 2.582 10 0 AFAERN OC[C@H]1CCC[C@H]1c1ccccc1 196886981 572755085 /nfs/dbraw/zinc/75/50/85/572755085.db2.gz CIGNCMVFJXCCMW-NEPJUHHUSA-N 0 0 176.259 2.563 10 0 AFAERN C/C(=C\c1cc(F)cc(F)c1)[C@@H](C)O 235250895 572755247 /nfs/dbraw/zinc/75/52/47/572755247.db2.gz KFLWTDUCMOTYJD-HOOMWESVSA-N 0 0 198.212 2.749 10 0 AFAERN C=C/C=C/CCC(=O)[C@@H]1CC[C@H](C)O1 713744771 572755286 /nfs/dbraw/zinc/75/52/86/572755286.db2.gz JCRMFPZVAZJSTP-XVHVLHHCSA-N 0 0 194.274 2.645 10 0 AFAERN C[C@H]1CC[C@@](O)(CCC(F)(F)F)C1 70917518 572755303 /nfs/dbraw/zinc/75/53/03/572755303.db2.gz AZFRFACPNNSRPQ-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN CCCC[C@@H](O)CCC(F)(F)F 70917363 572755393 /nfs/dbraw/zinc/75/53/93/572755393.db2.gz WMRPEJZNZBJIPW-SSDOTTSWSA-N 0 0 184.201 2.880 10 0 AFAERN C[C@](O)(c1cc(F)ccc1F)C1CC1 55242528 572755485 /nfs/dbraw/zinc/75/54/85/572755485.db2.gz DVVSUTYGMCTGAA-LLVKDONJSA-N 0 0 198.212 2.582 10 0 AFAERN CCC[C@@H](CC(C)C)C(=O)COC 308114393 572755599 /nfs/dbraw/zinc/75/55/99/572755599.db2.gz SFTBSQXOHSZDQK-JTQLQIEISA-N 0 0 186.295 2.664 10 0 AFAERN CC[C@](C)(O)c1ccc(F)cc1F 55238148 572755650 /nfs/dbraw/zinc/75/56/50/572755650.db2.gz PIOLTSVWKGGMDX-JTQLQIEISA-N 0 0 186.201 2.582 10 0 AFAERN CCC[C@H](CC(C)C)C(=O)COC 308114394 572755701 /nfs/dbraw/zinc/75/57/01/572755701.db2.gz SFTBSQXOHSZDQK-SNVBAGLBSA-N 0 0 186.295 2.664 10 0 AFAERN OC1(c2ccc(F)c(F)c2)CCCC1 55236651 572755706 /nfs/dbraw/zinc/75/57/06/572755706.db2.gz CPEQBJDNIJZCDV-UHFFFAOYSA-N 0 0 198.212 2.726 10 0 AFAERN Cc1cc(C)c(-n2cccn2)c(C)c1 55265896 572755773 /nfs/dbraw/zinc/75/57/73/572755773.db2.gz RNLSDSWYEUCBFG-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN Cc1cc(C)n2c1C(=O)c1ccccc1-2 238512451 572755877 /nfs/dbraw/zinc/75/58/77/572755877.db2.gz CDGJRZCBOJYGHV-UHFFFAOYSA-N 0 0 197.237 2.639 10 0 AFAERN CCCC[C@H](O)Cc1nc(C)cs1 55267131 572756036 /nfs/dbraw/zinc/75/60/36/572756036.db2.gz KYPYZVRUSVXGDI-VIFPVBQESA-N 0 0 199.319 2.545 10 0 AFAERN CCC1([C@H](O)CCC(C)C)CC1 308114299 572756090 /nfs/dbraw/zinc/75/60/90/572756090.db2.gz LPUIMNIJRUAALG-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(CC2([C@@H](C)O)CC2)cc1 235252965 572756114 /nfs/dbraw/zinc/75/61/14/572756114.db2.gz VCRWYCSAXMZQIH-LLVKDONJSA-N 0 0 190.286 2.699 10 0 AFAERN C[C@@H](O)C1(Cc2ccccc2F)CC1 235255115 572756263 /nfs/dbraw/zinc/75/62/63/572756263.db2.gz ZFSIPUVBRYXPAF-SECBINFHSA-N 0 0 194.249 2.529 10 0 AFAERN Cc1cnc(CO)cc1-c1ccccc1 238522159 572756407 /nfs/dbraw/zinc/75/64/07/572756407.db2.gz MWBXBCCDOYASAJ-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN O[C@H](CCC(F)(F)F)c1ccoc1 70915935 572756426 /nfs/dbraw/zinc/75/64/26/572756426.db2.gz SVYOJYHIUAVZES-SSDOTTSWSA-N 0 0 194.152 2.656 10 0 AFAERN Cc1cc(=O)[nH]c2c1oc1ccccc12 238521596 572756490 /nfs/dbraw/zinc/75/64/90/572756490.db2.gz YNXWTZNEVDPOOO-UHFFFAOYSA-N 0 0 199.209 2.583 10 0 AFAERN Cc1cc(=O)[nH]c(-c2ccccc2)c1C 238521331 572756609 /nfs/dbraw/zinc/75/66/09/572756609.db2.gz GQEVRYWRAQOGES-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN C[C@](O)(c1ccc(F)cc1F)C1CC1 55238165 572756752 /nfs/dbraw/zinc/75/67/52/572756752.db2.gz AIDRZOCKGNBJFF-LLVKDONJSA-N 0 0 198.212 2.582 10 0 AFAERN CC(C)Oc1ccc(C(C)(C)O)cc1 55261499 572756756 /nfs/dbraw/zinc/75/67/56/572756756.db2.gz KNUHFXRROQNFIJ-UHFFFAOYSA-N 0 0 194.274 2.701 10 0 AFAERN C[C@H]1CC[C@](O)(CCC(F)(F)F)C1 70917512 572756812 /nfs/dbraw/zinc/75/68/12/572756812.db2.gz AZFRFACPNNSRPQ-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1cccc(-c2cnccc2CO)c1 238524454 572756856 /nfs/dbraw/zinc/75/68/56/572756856.db2.gz CNWYKMYVGVTGJZ-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN C[C@@](O)(c1cc(F)ccc1F)C1CC1 55242527 572756884 /nfs/dbraw/zinc/75/68/84/572756884.db2.gz DVVSUTYGMCTGAA-NSHDSACASA-N 0 0 198.212 2.582 10 0 AFAERN CCC(O)(CC)CCC(F)(F)F 70916902 572756921 /nfs/dbraw/zinc/75/69/21/572756921.db2.gz BQNNSYMVTRGQAI-UHFFFAOYSA-N 0 0 184.201 2.880 10 0 AFAERN C=C=C(CCCO)C[Si](C)(C)C 238522775 572756992 /nfs/dbraw/zinc/75/69/92/572756992.db2.gz ITTLFJXSFUCZAS-UHFFFAOYSA-N 0 0 184.355 2.808 10 0 AFAERN C[Si](C)(C)CCCSC(N)=O 238523617 572756993 /nfs/dbraw/zinc/75/69/93/572756993.db2.gz MYVMHSRJGDUPCK-UHFFFAOYSA-N 0 0 191.372 2.527 10 0 AFAERN Cc1nc2c([nH]1)CCCc1ccccc1-2 238523505 572757004 /nfs/dbraw/zinc/75/70/04/572757004.db2.gz CLLJOBAEJVFZQO-UHFFFAOYSA-N 0 0 198.269 2.874 10 0 AFAERN Cc1ccc2cc(C(=O)C=O)ccc2c1 238524468 572757068 /nfs/dbraw/zinc/75/70/68/572757068.db2.gz OKNJVKGKXZOCOJ-UHFFFAOYSA-N 0 0 198.221 2.530 10 0 AFAERN Cc1ccccc1CC1([C@@H](C)O)CC1 235255017 572757101 /nfs/dbraw/zinc/75/71/01/572757101.db2.gz ZFEGZIRFZVIZMB-LLVKDONJSA-N 0 0 190.286 2.699 10 0 AFAERN C[C@@H]1CC[C@@](O)(CCC(F)(F)F)C1 70917516 572757133 /nfs/dbraw/zinc/75/71/33/572757133.db2.gz AZFRFACPNNSRPQ-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1cccc(-c2ccc(C=O)cc2)n1 238522754 572757158 /nfs/dbraw/zinc/75/71/58/572757158.db2.gz DCKUQLZDSZZGEJ-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1cc2c(ccc3nccc(N)c32)[nH]1 238524393 572757160 /nfs/dbraw/zinc/75/71/60/572757160.db2.gz ANNDJGMIWGKSFZ-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN Cc1nc2c(ccc3cccc(N)c32)o1 238524430 572757179 /nfs/dbraw/zinc/75/71/79/572757179.db2.gz MSAFOLKWONPJIK-UHFFFAOYSA-N 0 0 198.225 2.872 10 0 AFAERN CCCCCO[C@@H]1CC(=O)C1(C)C 85505892 572757273 /nfs/dbraw/zinc/75/72/73/572757273.db2.gz CYEUQANVAWNXPH-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CCOCCCNc1ccsc1 85534544 572757285 /nfs/dbraw/zinc/75/72/85/572757285.db2.gz KPYJTIBKBXUSFC-UHFFFAOYSA-N 0 0 185.292 2.587 10 0 AFAERN OC1(c2cc(F)ccc2F)CCCC1 55242420 572757339 /nfs/dbraw/zinc/75/73/39/572757339.db2.gz HENADXSJNVJPMT-UHFFFAOYSA-N 0 0 198.212 2.726 10 0 AFAERN C[C@H](C(=O)CCCCF)C1CC1 308112725 572757377 /nfs/dbraw/zinc/75/73/77/572757377.db2.gz KVOMWLGWDIQXOX-QMMMGPOBSA-N 0 0 172.243 2.741 10 0 AFAERN CC[C@@H](CC(C)C)c1n[nH]c(C)n1 308113970 572757394 /nfs/dbraw/zinc/75/73/94/572757394.db2.gz RPJPGHDOAWUCAT-VIFPVBQESA-N 0 0 181.283 2.653 10 0 AFAERN CCCCO[C@H]1CC(=O)[C@]1(C)CC 85505826 572757399 /nfs/dbraw/zinc/75/73/99/572757399.db2.gz FGXBZJSXGLTZJL-QWRGUYRKSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@H]1CC[C@](O)(CCC(F)(F)F)C1 70917510 572757423 /nfs/dbraw/zinc/75/74/23/572757423.db2.gz AZFRFACPNNSRPQ-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN CCOc1ccccc1C(=O)C1CC1 55240115 572757463 /nfs/dbraw/zinc/75/74/63/572757463.db2.gz GNEYZWNUDFHYJJ-UHFFFAOYSA-N 0 0 190.242 2.678 10 0 AFAERN C=COc1ccc(C(=O)CC)cc1 85503295 572757490 /nfs/dbraw/zinc/75/74/90/572757490.db2.gz QHAGGRHAJUVNMM-UHFFFAOYSA-N 0 0 176.215 2.802 10 0 AFAERN Cc1cc2c(=O)[nH]c3ccccc3c2o1 238523128 572757506 /nfs/dbraw/zinc/75/75/06/572757506.db2.gz VPWHTOMMJUABKK-UHFFFAOYSA-N 0 0 199.209 2.583 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@H]1Nn1cccc1 235253735 572757879 /nfs/dbraw/zinc/75/78/79/572757879.db2.gz JBOMLIKNIULGSX-MNOVXSKESA-N 0 0 192.306 2.856 10 0 AFAERN CC[C@](C)(O)c1cc(F)ccc1F 55242517 572757619 /nfs/dbraw/zinc/75/76/19/572757619.db2.gz LDUWFGMEXHYSCA-JTQLQIEISA-N 0 0 186.201 2.582 10 0 AFAERN CC[C@@H](COC)Nc1ccsc1 85527683 572757752 /nfs/dbraw/zinc/75/77/52/572757752.db2.gz KYHKYLRNOYFYEL-QMMMGPOBSA-N 0 0 185.292 2.585 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@@H]1OCCC(C)C 85504586 572757760 /nfs/dbraw/zinc/75/77/60/572757760.db2.gz RSJNUYRREOSJNW-RYUDHWBXSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cn2c(ccc3c(C)c(C)[nH]c32)n1 238512350 572757791 /nfs/dbraw/zinc/75/77/91/572757791.db2.gz MDPGEFREFLRUJB-UHFFFAOYSA-N 0 0 199.257 2.741 10 0 AFAERN CC(=O)c1ccn(C/C(C)=C\Cl)c1 308116364 572758000 /nfs/dbraw/zinc/75/80/00/572758000.db2.gz ZCBPLXYWZHKWQW-YVMONPNESA-N 0 0 197.665 2.833 10 0 AFAERN CC(C)CCCO[C@@H]1CC(=O)C1(C)C 85505482 572758004 /nfs/dbraw/zinc/75/80/04/572758004.db2.gz RUWWHVDVQRRCRO-LLVKDONJSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](C)O[C@@H]1CC(=O)[C@@]1(C)CC 85506035 572758015 /nfs/dbraw/zinc/75/80/15/572758015.db2.gz OUVQPKKBCLRSTD-JMJZKYOTSA-N 0 0 184.279 2.559 10 0 AFAERN CCC1(CC)C(=O)C[C@@H]1OCC1CC1 85505237 572758053 /nfs/dbraw/zinc/75/80/53/572758053.db2.gz DJCSAGCGHLBFJO-NSHDSACASA-N 0 0 196.290 2.561 10 0 AFAERN CC(C)(C)CCO[C@H]1CC(=O)C1(C)C 85507162 572758056 /nfs/dbraw/zinc/75/80/56/572758056.db2.gz JNNRIILRUPNGOJ-JTQLQIEISA-N 0 0 198.306 2.807 10 0 AFAERN CCCCO[C@@H]1CC(=O)C1(CC)CC 85505829 572758068 /nfs/dbraw/zinc/75/80/68/572758068.db2.gz VLUWDKGOHYAVSX-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCO[C@@H]1CC(=O)[C@@]1(C)CC 85505813 572758087 /nfs/dbraw/zinc/75/80/87/572758087.db2.gz FGXBZJSXGLTZJL-GHMZBOCLSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H](C)O[C@H]1CC(=O)C1(CC)CC 85506065 572758096 /nfs/dbraw/zinc/75/80/96/572758096.db2.gz VGTFACWZZIFHPV-ONGXEEELSA-N 0 0 198.306 2.949 10 0 AFAERN Cc1nc(CC(=O)C(C)(C)C)cs1 55294227 572759555 /nfs/dbraw/zinc/75/95/55/572759555.db2.gz DXZDQWOEJLITNL-UHFFFAOYSA-N 0 0 197.303 2.609 10 0 AFAERN Cc1cccc(-c2ncccc2CO)c1 238525885 572758572 /nfs/dbraw/zinc/75/85/72/572758572.db2.gz LJPBDLHVBLRCQS-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN C=COc1ccc(CCC(C)=O)cc1 85503228 572758146 /nfs/dbraw/zinc/75/81/46/572758146.db2.gz TZAUMYNOMZOGTH-UHFFFAOYSA-N 0 0 190.242 2.731 10 0 AFAERN CCCCO[C@@H]1CC(=O)[C@]1(C)CC 85505822 572758231 /nfs/dbraw/zinc/75/82/31/572758231.db2.gz FGXBZJSXGLTZJL-MNOVXSKESA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCO[C@@H]1CC(=O)[C@@]1(C)CC 85505860 572758237 /nfs/dbraw/zinc/75/82/37/572758237.db2.gz OECGDIJIJNPVEA-VXGBXAGGSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC[C@H](CC)COC1CC(=O)C1 85505430 572758352 /nfs/dbraw/zinc/75/83/52/572758352.db2.gz ZNAQDDGEJUTDAA-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@]1(C)C(=O)C[C@@H]1OCCC(C)C 85504591 572758554 /nfs/dbraw/zinc/75/85/54/572758554.db2.gz RSJNUYRREOSJNW-NWDGAFQWSA-N 0 0 198.306 2.807 10 0 AFAERN CCCCCO[C@H]1CC(=O)[C@@]1(C)CC 85505864 572758394 /nfs/dbraw/zinc/75/83/94/572758394.db2.gz OECGDIJIJNPVEA-NWDGAFQWSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCO[C@H]1CC(=O)[C@@]1(C)CC 85505818 572758427 /nfs/dbraw/zinc/75/84/27/572758427.db2.gz FGXBZJSXGLTZJL-WDEREUQCSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)[C@@H](C)SCc1ncc[nH]1 308115631 572758433 /nfs/dbraw/zinc/75/84/33/572758433.db2.gz MIYDQALYSKUTAV-MRVPVSSYSA-N 0 0 184.308 2.687 10 0 AFAERN CC(C)C[C@@H](C)O[C@@H]1CC(=O)C1(C)C 85505110 572758539 /nfs/dbraw/zinc/75/85/39/572758539.db2.gz RVDUAUPCQTYCDY-MWLCHTKSSA-N 0 0 198.306 2.805 10 0 AFAERN CCCCCO[C@H]1CC(=O)C1(C)C 85505894 572758619 /nfs/dbraw/zinc/75/86/19/572758619.db2.gz CYEUQANVAWNXPH-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CC/C=C(/CO)C[C@H](C)CC 307923245 572759591 /nfs/dbraw/zinc/75/95/91/572759591.db2.gz NREQANGOARDFRH-ZFZMKPAXSA-N 0 0 156.269 2.751 10 0 AFAERN COCC[C@@H](C)Nc1ccsc1 85528579 572758653 /nfs/dbraw/zinc/75/86/53/572758653.db2.gz PRKWTGOASICPMU-MRVPVSSYSA-N 0 0 185.292 2.585 10 0 AFAERN C/C=C(\CC)CCCCCO 307921734 572758979 /nfs/dbraw/zinc/75/89/79/572758979.db2.gz LXDVZULGRZZELD-XCVCLJGOSA-N 0 0 156.269 2.895 10 0 AFAERN Cc1ccncc1-n1c(C)ccc1C 70959109 572759347 /nfs/dbraw/zinc/75/93/47/572759347.db2.gz NHTQGESHAQUKAM-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN CC(C)CCCO[C@H]1CC(=O)C1(C)C 85505487 572758741 /nfs/dbraw/zinc/75/87/41/572758741.db2.gz RUWWHVDVQRRCRO-NSHDSACASA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)C[C@@H](C)O[C@H]1CC(=O)C1(C)C 85505117 572758782 /nfs/dbraw/zinc/75/87/82/572758782.db2.gz RVDUAUPCQTYCDY-KOLCDFICSA-N 0 0 198.306 2.805 10 0 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572759500 /nfs/dbraw/zinc/75/95/00/572759500.db2.gz GMDSPMSEQMEIKQ-LRESCIBYSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@H](C)O[C@H]1CC(=O)[C@@]1(C)CC 85506041 572759521 /nfs/dbraw/zinc/75/95/21/572759521.db2.gz OUVQPKKBCLRSTD-INTQDDNPSA-N 0 0 184.279 2.559 10 0 AFAERN CCC1(CC)C(=O)C[C@@H]1OC(C)(C)C 85505410 572759531 /nfs/dbraw/zinc/75/95/31/572759531.db2.gz QLIOSCUCQQDDQL-JTQLQIEISA-N 0 0 198.306 2.949 10 0 AFAERN CC[C@H](C)O[C@@H]1CC(=O)C1(CC)CC 85506057 572759588 /nfs/dbraw/zinc/75/95/88/572759588.db2.gz VGTFACWZZIFHPV-GXSJLCMTSA-N 0 0 198.306 2.949 10 0 AFAERN COCC[C@H](C)Nc1ccsc1 85528578 572759635 /nfs/dbraw/zinc/75/96/35/572759635.db2.gz PRKWTGOASICPMU-QMMMGPOBSA-N 0 0 185.292 2.585 10 0 AFAERN C=COc1ccccc1OCCC 85503341 572759756 /nfs/dbraw/zinc/75/97/56/572759756.db2.gz MFHDOUQBDOTCPW-UHFFFAOYSA-N 0 0 178.231 2.998 10 0 AFAERN CCCCOCCNc1ccsc1 85534637 572759766 /nfs/dbraw/zinc/75/97/66/572759766.db2.gz COPOVSYFGLFSSU-UHFFFAOYSA-N 0 0 199.319 2.977 10 0 AFAERN Cc1nc(C)c2[nH]c3ccccc3c2n1 238518428 572759767 /nfs/dbraw/zinc/75/97/67/572759767.db2.gz BBLIHCJBRFYKAH-UHFFFAOYSA-N 0 0 197.241 2.728 10 0 AFAERN CCCCCCO[C@@H]1CC(=O)C1(C)C 85505581 572759944 /nfs/dbraw/zinc/75/99/44/572759944.db2.gz VHJVYYIOEUMECL-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCCO[C@@H]1CC(=O)[C@]1(C)CC 85505866 572759985 /nfs/dbraw/zinc/75/99/85/572759985.db2.gz OECGDIJIJNPVEA-NEPJUHHUSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCO[C@H]1CC(=O)C1(CC)CC 85505834 572760221 /nfs/dbraw/zinc/76/02/21/572760221.db2.gz VLUWDKGOHYAVSX-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN CCC(C)(C)O[C@@H]1CC(=O)[C@@]1(C)CC 85505505 572760074 /nfs/dbraw/zinc/76/00/74/572760074.db2.gz GDXSONUGXIOWKW-ZYHUDNBSSA-N 0 0 198.306 2.949 10 0 AFAERN CCCCNc1cnccc1C 70958148 572760053 /nfs/dbraw/zinc/76/00/53/572760053.db2.gz TXVKFFYPTTYBIL-UHFFFAOYSA-N 0 0 164.252 2.602 10 0 AFAERN CCCCO[C@H]1CC(=O)C12CCCC2 85505805 572760068 /nfs/dbraw/zinc/76/00/68/572760068.db2.gz XEAPQISLKVJRKU-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)C[C@H](C)O[C@H]1CC(=O)C1(C)C 85505120 572760507 /nfs/dbraw/zinc/76/05/07/572760507.db2.gz RVDUAUPCQTYCDY-ONGXEEELSA-N 0 0 198.306 2.805 10 0 AFAERN CC[C@H](COC)Nc1ccsc1 85527688 572760512 /nfs/dbraw/zinc/76/05/12/572760512.db2.gz KYHKYLRNOYFYEL-MRVPVSSYSA-N 0 0 185.292 2.585 10 0 AFAERN CCC1(CC)C(=O)C[C@@H]1OC1CCC1 85506426 572760525 /nfs/dbraw/zinc/76/05/25/572760525.db2.gz NNRAUTXETDHYER-NSHDSACASA-N 0 0 196.290 2.703 10 0 AFAERN CCC1(CC)C(=O)C[C@H]1OCC(C)C 85504815 572760562 /nfs/dbraw/zinc/76/05/62/572760562.db2.gz QVLLRDIUFMXZMF-LLVKDONJSA-N 0 0 198.306 2.807 10 0 AFAERN C/C=C\CCNc1cc(Cl)ncn1 308111377 572760624 /nfs/dbraw/zinc/76/06/24/572760624.db2.gz NQUPJIDAEQXSDX-IHWYPQMZSA-N 0 0 197.669 2.508 10 0 AFAERN CC/C=C(\CO)C[C@H](C)CC 307923244 572760628 /nfs/dbraw/zinc/76/06/28/572760628.db2.gz NREQANGOARDFRH-WPVMNKCKSA-N 0 0 156.269 2.751 10 0 AFAERN C[C@H](O)/C=C1\CCC[C@H](C)[C@H]1C 307921853 572760752 /nfs/dbraw/zinc/76/07/52/572760752.db2.gz GMDSPMSEQMEIKQ-SEPVLLKDSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]1OCCC(C)C 85504580 572760650 /nfs/dbraw/zinc/76/06/50/572760650.db2.gz RSJNUYRREOSJNW-VXGBXAGGSA-N 0 0 198.306 2.807 10 0 AFAERN C=COc1ccc(OCCC)cc1 85503414 572760672 /nfs/dbraw/zinc/76/06/72/572760672.db2.gz UTEOSDFSDZXYCY-UHFFFAOYSA-N 0 0 178.231 2.998 10 0 AFAERN C=COc1c(OC)cc(C)cc1OC 85503513 572760742 /nfs/dbraw/zinc/76/07/42/572760742.db2.gz JNUHYOALXDVGCH-UHFFFAOYSA-N 0 0 194.230 2.535 10 0 AFAERN CCC1(CC)C(=O)C[C@H]1OC1CCC1 85506422 572760748 /nfs/dbraw/zinc/76/07/48/572760748.db2.gz NNRAUTXETDHYER-LLVKDONJSA-N 0 0 196.290 2.703 10 0 AFAERN O=C1CC=CC[C@@H]2C[C@@H]2C[C@H]2C[C@H]12 308115432 572760799 /nfs/dbraw/zinc/76/07/99/572760799.db2.gz UJWBKYZOHICQBC-ZNSHCXBVSA-N 0 0 176.259 2.568 10 0 AFAERN CCC(C)(C)O[C@H]1CC(=O)[C@]1(C)CC 85505509 572760801 /nfs/dbraw/zinc/76/08/01/572760801.db2.gz GDXSONUGXIOWKW-JQWIXIFHSA-N 0 0 198.306 2.949 10 0 AFAERN C=COc1ccc(OCC)cc1 85503220 572760852 /nfs/dbraw/zinc/76/08/52/572760852.db2.gz ZZKBZQJCHPZYCB-UHFFFAOYSA-N 0 0 164.204 2.608 10 0 AFAERN CC(C)[C@H](C)SCc1ncc[nH]1 308115636 572760869 /nfs/dbraw/zinc/76/08/69/572760869.db2.gz MIYDQALYSKUTAV-QMMMGPOBSA-N 0 0 184.308 2.687 10 0 AFAERN O=C1CC=CC[C@@H]2C[C@@H]2C[C@@H]2C[C@@H]12 308115431 572761234 /nfs/dbraw/zinc/76/12/34/572761234.db2.gz UJWBKYZOHICQBC-GWOFURMSSA-N 0 0 176.259 2.568 10 0 AFAERN CC(C)=CC/C(C)=C\CCO 307913834 572761440 /nfs/dbraw/zinc/76/14/40/572761440.db2.gz MIKMUNWRJHIJGX-YHYXMXQVSA-N 0 0 154.253 2.671 10 0 AFAERN C/C(CO)=C1/CCC[C@H](C)C1 307914395 572761526 /nfs/dbraw/zinc/76/15/26/572761526.db2.gz AXEZHTJVSYKGBP-VPOJCXOPSA-N 0 0 154.253 2.505 10 0 AFAERN C/C=C(\C)c1cscc1CO 307913451 572761710 /nfs/dbraw/zinc/76/17/10/572761710.db2.gz LTRNDPQAWPCZKY-XVNBXDOJSA-N 0 0 168.261 2.664 10 0 AFAERN C[C@H](O)[C@H](C)O[C@H](C)CC(C)(C)C 308120825 572761792 /nfs/dbraw/zinc/76/17/92/572761792.db2.gz HRCSWLFBZQYFSX-UTLUCORTSA-N 0 0 188.311 2.597 10 0 AFAERN C/C=C\[C@@H](CCO)c1ccccc1 308121402 572761843 /nfs/dbraw/zinc/76/18/43/572761843.db2.gz JUCBUJKDLRPCLP-ZYVOWACSSA-N 0 0 176.259 2.729 10 0 AFAERN C/C=C/CSc1cccc(CO)c1 85537333 572761846 /nfs/dbraw/zinc/76/18/46/572761846.db2.gz MQGSMDSIHBJRSM-NSCUHMNNSA-N 0 0 194.299 2.847 10 0 AFAERN CCOCCCC(=O)[C@@]12CCC[C@@H]1C2 689505121 572761850 /nfs/dbraw/zinc/76/18/50/572761850.db2.gz KYUXOCCXBBYCGL-ZYHUDNBSSA-N 0 0 196.290 2.562 10 0 AFAERN C/C(=C\CCO)c1ccc(C)cc1 308121307 572762039 /nfs/dbraw/zinc/76/20/39/572762039.db2.gz JIFQLLURCMPFHI-NYYWCZLTSA-N 0 0 176.259 2.781 10 0 AFAERN CCCCC[C@H](O)[C@H](C)/C=C/OC 308121427 572762045 /nfs/dbraw/zinc/76/20/45/572762045.db2.gz KAHSNKPPMMZQNK-OJLMFNQTSA-N 0 0 186.295 2.724 10 0 AFAERN CCCC[C@H](OC)[C@H](O)C=C(C)C 308121626 572762117 /nfs/dbraw/zinc/76/21/17/572762117.db2.gz LEBNJKZLFYUHPO-MNOVXSKESA-N 0 0 186.295 2.519 10 0 AFAERN CC/C=C\[C@@H](CC)SC(=O)NC 307913360 572762216 /nfs/dbraw/zinc/76/22/16/572762216.db2.gz OPHFYNHRKQDBPR-NFXKFNAJSA-N 0 0 187.308 2.804 10 0 AFAERN CC[C@H](/C=C(\C)CO)C(C)C 307914088 572762221 /nfs/dbraw/zinc/76/22/21/572762221.db2.gz MTZGJLOUCYJKIV-OLKPEBQYSA-N 0 0 156.269 2.607 10 0 AFAERN CCC(/C=C\CCCO)CC 307913131 572762359 /nfs/dbraw/zinc/76/23/59/572762359.db2.gz KTERXOAGNUDPMG-VURMDHGXSA-N 0 0 156.269 2.751 10 0 AFAERN O[C@@H]1CC[C@@H]2CCCCC=C[C@H]21 308121549 572764541 /nfs/dbraw/zinc/76/45/41/572764541.db2.gz QMESPXZGFXBRDI-HBNTYKKESA-N 0 0 166.264 2.504 10 0 AFAERN CC[C@@H](/C=C(\C)CO)C(C)C 307914089 572762443 /nfs/dbraw/zinc/76/24/43/572762443.db2.gz MTZGJLOUCYJKIV-ZKXNXJMVSA-N 0 0 156.269 2.607 10 0 AFAERN O[C@@H]1CC[C@@H]2CCCCC=C[C@@H]21 308121547 572762643 /nfs/dbraw/zinc/76/26/43/572762643.db2.gz QMESPXZGFXBRDI-GARJFASQSA-N 0 0 166.264 2.504 10 0 AFAERN CC1=CC(C)(C)[C@H](C/C=C\CO)C1 308120867 572762795 /nfs/dbraw/zinc/76/27/95/572762795.db2.gz HZBQRXUTWGFULR-DOGVGXBMSA-N 0 0 180.291 2.917 10 0 AFAERN C/C=C\[C@@H](O)CCCc1ccco1 308120965 572762811 /nfs/dbraw/zinc/76/28/11/572762811.db2.gz IJSZMLLBTJYCCN-XJIUSYNZSA-N 0 0 180.247 2.539 10 0 AFAERN O[C@@H]1CC[C@H]2CCCCC=C[C@@H]12 308121548 572762921 /nfs/dbraw/zinc/76/29/21/572762921.db2.gz QMESPXZGFXBRDI-GMTAPVOTSA-N 0 0 166.264 2.504 10 0 AFAERN CCCCC[C@H](O)[C@H](C)/C=C\OC 308121428 572763263 /nfs/dbraw/zinc/76/32/63/572763263.db2.gz KAHSNKPPMMZQNK-XJMUJKMXSA-N 0 0 186.295 2.724 10 0 AFAERN CC/C=C\[C@H](CC)SC(=O)NC 307913361 572763290 /nfs/dbraw/zinc/76/32/90/572763290.db2.gz OPHFYNHRKQDBPR-UAPHAKCISA-N 0 0 187.308 2.804 10 0 AFAERN CC1=CC(C)(C)[C@@H](C/C=C\CO)C1 308120869 572763310 /nfs/dbraw/zinc/76/33/10/572763310.db2.gz HZBQRXUTWGFULR-WYGGZMRJSA-N 0 0 180.291 2.917 10 0 AFAERN C[C@H](O)[C@@H](C)O[C@H](C)CC(C)(C)C 308120824 572763394 /nfs/dbraw/zinc/76/33/94/572763394.db2.gz HRCSWLFBZQYFSX-KXUCPTDWSA-N 0 0 188.311 2.597 10 0 AFAERN CCOCSc1cccc(C=O)c1 85536641 572763395 /nfs/dbraw/zinc/76/33/95/572763395.db2.gz VBEKDRVFJAVGDZ-UHFFFAOYSA-N 0 0 196.271 2.585 10 0 AFAERN CC(C)CCCn1ccc(Cl)n1 308121231 572763412 /nfs/dbraw/zinc/76/34/12/572763412.db2.gz QFPJDISIRGTFNQ-UHFFFAOYSA-N 0 0 186.686 2.973 10 0 AFAERN C=C/C=C\[C@@H]1CCCC(C)=C[C@@H]1O 308120859 572763537 /nfs/dbraw/zinc/76/35/37/572763537.db2.gz HXXCDINAYRXOIM-HIMAVIEDSA-N 0 0 178.275 2.836 10 0 AFAERN CCCC[C@@H](OC)[C@H](O)C=C(C)C 308121625 572763962 /nfs/dbraw/zinc/76/39/62/572763962.db2.gz LEBNJKZLFYUHPO-GHMZBOCLSA-N 0 0 186.295 2.519 10 0 AFAERN CCOCCCC(=O)[C@]12CCC[C@H]1C2 689505117 572763816 /nfs/dbraw/zinc/76/38/16/572763816.db2.gz KYUXOCCXBBYCGL-JQWIXIFHSA-N 0 0 196.290 2.562 10 0 AFAERN O[C@@H]1CC=CCC=CC[C@@H]2C[C@H]2C1 308121431 572763862 /nfs/dbraw/zinc/76/38/62/572763862.db2.gz KBINXGSPQJHNDB-GRYCIOLGSA-N 0 0 178.275 2.670 10 0 AFAERN OCc1cccc(SCC2CC2)c1 85537311 572764010 /nfs/dbraw/zinc/76/40/10/572764010.db2.gz YJNNCSPCUJBYPW-UHFFFAOYSA-N 0 0 194.299 2.681 10 0 AFAERN CC(C)C[NH2+]Cc1cccc([S-])c1 85537220 572764062 /nfs/dbraw/zinc/76/40/62/572764062.db2.gz HVTGWOVCIXXZAZ-UHFFFAOYSA-N 0 0 195.331 2.721 10 0 AFAERN CCCCSC[C@@H](C)[C@@H](C)O 307914143 572764092 /nfs/dbraw/zinc/76/40/92/572764092.db2.gz NJPPALYFIFRWJW-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN Cc1ccc(C=Cc2c[nH]cn2)cc1 167625216 572764547 /nfs/dbraw/zinc/76/45/47/572764547.db2.gz RKDLCGOMOPZONU-SREVYHEPSA-N 0 0 184.242 2.889 10 0 AFAERN C/C=C/C=C/C=C/C=C/C=C\CO 308121594 572764612 /nfs/dbraw/zinc/76/46/12/572764612.db2.gz KWOLFZADZKBNBW-RGJPBPKHSA-N 0 0 176.259 2.780 10 0 AFAERN CCC[C@H](O)C/C=C\C(C)C 307914995 572764661 /nfs/dbraw/zinc/76/46/61/572764661.db2.gz QADFXAXQXPNDHN-BXKUYDPTSA-N 0 0 156.269 2.750 10 0 AFAERN C/C=C\[C@H](O)CCCc1ccco1 308120964 572764893 /nfs/dbraw/zinc/76/48/93/572764893.db2.gz IJSZMLLBTJYCCN-ODTOEKCJSA-N 0 0 180.247 2.539 10 0 AFAERN CO[C@@H](C)CSC/C(C)=C\Cl 307917941 572765057 /nfs/dbraw/zinc/76/50/57/572765057.db2.gz CWCULSQVKAVFNF-NZGHECTNSA-N 0 0 194.727 2.897 10 0 AFAERN COC(C)(C)[C@@H](O)C1=CCCCCC1 234570346 572765148 /nfs/dbraw/zinc/76/51/48/572765148.db2.gz PJXCGIDYSBUHEF-NSHDSACASA-N 0 0 198.306 2.663 10 0 AFAERN CCCC/C=C/[C@@H](C)[C@H](C)O 307916220 572765154 /nfs/dbraw/zinc/76/51/54/572765154.db2.gz VYDUFYFWXRVBDB-PSFRMBJNSA-N 0 0 156.269 2.750 10 0 AFAERN C/C=C\[C@@H](O)C1=CC=CC=CC=C1 308122347 572765242 /nfs/dbraw/zinc/76/52/42/572765242.db2.gz NYZIGRAKCSGPOX-FXMFWCEWSA-N 0 0 174.243 2.532 10 0 AFAERN C/C=C\C(=C/CO)c1ccccc1 308121866 572765372 /nfs/dbraw/zinc/76/53/72/572765372.db2.gz MGPJFDMPXNJKKZ-DSALQPHQSA-N 0 0 174.243 2.638 10 0 AFAERN CO[C@@H](C)CSC/C(C)=C/Cl 307917939 572765528 /nfs/dbraw/zinc/76/55/28/572765528.db2.gz CWCULSQVKAVFNF-IPWDFOCMSA-N 0 0 194.727 2.897 10 0 AFAERN CC(C)CCC[C@]1(O)CC[C@@H]1C 308123082 572765648 /nfs/dbraw/zinc/76/56/48/572765648.db2.gz SDMIJOWYUWOZQG-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCCCn1ccc(C=O)c1 85580657 572765730 /nfs/dbraw/zinc/76/57/30/572765730.db2.gz IKFPKDZMQKMFNT-UHFFFAOYSA-N 0 0 179.263 2.881 10 0 AFAERN C/C=C\[C@H](C)[C@@H](O)C(C)(C)C 307916370 572765741 /nfs/dbraw/zinc/76/57/41/572765741.db2.gz WGUBRLRUJHQOTQ-XFPDIIEBSA-N 0 0 156.269 2.606 10 0 AFAERN CC1(C)C[C@@H]1[C@H](O)CCCCF 308123263 572765910 /nfs/dbraw/zinc/76/59/10/572765910.db2.gz SHBLWSLIFKKBNU-RKDXNWHRSA-N 0 0 174.259 2.533 10 0 AFAERN CCCCC=C=CO[C@H](C)[C@@H](C)O 308122716 572765966 /nfs/dbraw/zinc/76/59/66/572765966.db2.gz PHKLHSGTWQVMEW-GUJYYOPSSA-N 0 0 184.279 2.631 10 0 AFAERN C/C=C\C(=C\CO)c1ccccc1 308121868 572765969 /nfs/dbraw/zinc/76/59/69/572765969.db2.gz MGPJFDMPXNJKKZ-XOJXDTSLSA-N 0 0 174.243 2.638 10 0 AFAERN CC(C)CCC[C@@]1(O)CC[C@@H]1C 308123083 572766021 /nfs/dbraw/zinc/76/60/21/572766021.db2.gz SDMIJOWYUWOZQG-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H](O)C/C=C\C(C)C 307914996 572766102 /nfs/dbraw/zinc/76/61/02/572766102.db2.gz QADFXAXQXPNDHN-ONRRBMGISA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)(C)CCn1ccc(C=O)c1 85580632 572766426 /nfs/dbraw/zinc/76/64/26/572766426.db2.gz PWGIBAXDPLJUJA-UHFFFAOYSA-N 0 0 179.263 2.737 10 0 AFAERN CC(C)(C)CCn1cccc1C=O 85580278 572766475 /nfs/dbraw/zinc/76/64/75/572766475.db2.gz KEYBJSFMYGBBSN-UHFFFAOYSA-N 0 0 179.263 2.737 10 0 AFAERN CCC(CC)C/C(C)=C\CO 307915404 572766536 /nfs/dbraw/zinc/76/65/36/572766536.db2.gz RQGPAOAKNHCGLR-TWGQIWQCSA-N 0 0 156.269 2.751 10 0 AFAERN CCC[C@H](C)Cn1ccc(C=O)c1 85581075 572766708 /nfs/dbraw/zinc/76/67/08/572766708.db2.gz JLXDKCPNFOSJNS-JTQLQIEISA-N 0 0 179.263 2.737 10 0 AFAERN CC(C)=CCNC/C(Cl)=C\Cl 307917557 572766751 /nfs/dbraw/zinc/76/67/51/572766751.db2.gz CDBFRXAFAPDPFR-VMPITWQZSA-N 0 0 194.105 2.861 10 0 AFAERN CCCCO[C@H](C)/C=C\C[C@@H](C)O 308122360 572766767 /nfs/dbraw/zinc/76/67/67/572766767.db2.gz OAYYBTISWBIRPK-JRJMJSEMSA-N 0 0 186.295 2.519 10 0 AFAERN CO[C@H](C)CSC/C(C)=C\Cl 307917943 572766807 /nfs/dbraw/zinc/76/68/07/572766807.db2.gz CWCULSQVKAVFNF-RBMBQVQZSA-N 0 0 194.727 2.897 10 0 AFAERN C/C=C\C[C@@H](O)c1ccccc1C 308122468 572766843 /nfs/dbraw/zinc/76/68/43/572766843.db2.gz OHQHNNKINDVTFF-VSQXVHSFSA-N 0 0 176.259 2.995 10 0 AFAERN CC/C=C(\F)[C@@H](O)c1ccccc1 308122732 572766894 /nfs/dbraw/zinc/76/68/94/572766894.db2.gz PKGYPTGGONGAFS-YAEJEKNGSA-N 0 0 180.222 2.983 10 0 AFAERN CCC[C@@H](C)Cn1cccc1C=O 85580504 572766943 /nfs/dbraw/zinc/76/69/43/572766943.db2.gz MYVCXUXUQSBLBJ-SNVBAGLBSA-N 0 0 179.263 2.737 10 0 AFAERN CCCC/C=C\[C@@H](C)[C@H](C)O 307916219 572766988 /nfs/dbraw/zinc/76/69/88/572766988.db2.gz VYDUFYFWXRVBDB-LKMPMBSTSA-N 0 0 156.269 2.750 10 0 AFAERN CCCCCCn1cccc1CO 85587736 572767167 /nfs/dbraw/zinc/76/71/67/572767167.db2.gz VHUWLJOOSDYVHO-UHFFFAOYSA-N 0 0 181.279 2.561 10 0 AFAERN OC/C(Cl)=C\C1CCCCC1 307916180 572767114 /nfs/dbraw/zinc/76/71/14/572767114.db2.gz VOKPAHFSXJUJIK-RMKNXTFCSA-N 0 0 174.671 2.682 10 0 AFAERN CCC[C@@H](C)Cn1ccc(C=O)c1 85581072 572767184 /nfs/dbraw/zinc/76/71/84/572767184.db2.gz JLXDKCPNFOSJNS-SNVBAGLBSA-N 0 0 179.263 2.737 10 0 AFAERN Cc1ocnc1CSCC(C)C 308122421 572767245 /nfs/dbraw/zinc/76/72/45/572767245.db2.gz RKZWYKBBCSFFBB-UHFFFAOYSA-N 0 0 185.292 2.872 10 0 AFAERN C/C=C\[C@H](C)[C@H](O)C(C)(C)C 307916371 572767294 /nfs/dbraw/zinc/76/72/94/572767294.db2.gz WGUBRLRUJHQOTQ-YYRDVDDBSA-N 0 0 156.269 2.606 10 0 AFAERN CC/C(=C\c1ccccc1)[C@H](C)O 308123013 572767301 /nfs/dbraw/zinc/76/73/01/572767301.db2.gz QQQSIXUSQWYCLI-LZAIMSLLSA-N 0 0 176.259 2.861 10 0 AFAERN CCC[C@H](C)Cn1cccc1C=O 85580507 572767312 /nfs/dbraw/zinc/76/73/12/572767312.db2.gz MYVCXUXUQSBLBJ-JTQLQIEISA-N 0 0 179.263 2.737 10 0 AFAERN C/C=C/[C@@H](O)C1=CC=CC=CC=C1 308122349 572767460 /nfs/dbraw/zinc/76/74/60/572767460.db2.gz NYZIGRAKCSGPOX-RGSSBLTHSA-N 0 0 174.243 2.532 10 0 AFAERN CC(C)(C)CSCCC1(O)CC1 308122827 572767538 /nfs/dbraw/zinc/76/75/38/572767538.db2.gz RSQYKHFKICCBLW-UHFFFAOYSA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)CCC[C@@]1(O)CC[C@H]1C 308123080 572767556 /nfs/dbraw/zinc/76/75/56/572767556.db2.gz SDMIJOWYUWOZQG-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C/C=C\[C@H](O)CCCC 307915973 572767576 /nfs/dbraw/zinc/76/75/76/572767576.db2.gz UTBYGUXRTIARHU-QLMLBZADSA-N 0 0 154.253 2.670 10 0 AFAERN CCCCO[C@H](C)/C=C\C[C@H](C)O 308122361 572767625 /nfs/dbraw/zinc/76/76/25/572767625.db2.gz OAYYBTISWBIRPK-OBCZMHBZSA-N 0 0 186.295 2.519 10 0 AFAERN C/C=C\C[NH2+]C(C)(C)c1nccs1 308121874 572767700 /nfs/dbraw/zinc/76/77/00/572767700.db2.gz MHLHXTVMZRLHCA-PLNGDYQASA-N 0 0 196.319 2.544 10 0 AFAERN CC/C=C(\F)[C@H](O)c1ccccc1 308122731 572767723 /nfs/dbraw/zinc/76/77/23/572767723.db2.gz PKGYPTGGONGAFS-SDKXAQGSSA-N 0 0 180.222 2.983 10 0 AFAERN O[C@@H](/C=C\C(F)F)c1ccccc1 308123115 572767931 /nfs/dbraw/zinc/76/79/31/572767931.db2.gz QWTTYBWEEOTNBD-NMTCXDENSA-N 0 0 184.185 2.541 10 0 AFAERN CC(C)CCC[C@]1(O)CC[C@H]1C 308123081 572767961 /nfs/dbraw/zinc/76/79/61/572767961.db2.gz SDMIJOWYUWOZQG-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C/C(=C\CO)c1ccccc1 308121867 572768144 /nfs/dbraw/zinc/76/81/44/572768144.db2.gz MGPJFDMPXNJKKZ-RSXTZIGXSA-N 0 0 174.243 2.638 10 0 AFAERN Cc1ccc(Nc2ccccc2N)nc1 238525474 572768166 /nfs/dbraw/zinc/76/81/66/572768166.db2.gz QQQLUOBEZIKIGY-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CC/C(=C\c1ccccc1)[C@@H](C)O 308123014 572768190 /nfs/dbraw/zinc/76/81/90/572768190.db2.gz QQQSIXUSQWYCLI-QSARLWQPSA-N 0 0 176.259 2.861 10 0 AFAERN Cc1cc2ccc3[nH]ccc3c2nc1N 238525415 572768537 /nfs/dbraw/zinc/76/85/37/572768537.db2.gz PCPRXOFATXBYOS-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN CCC/C(=C\[C@@H](C)O)C1CC1 307918341 572768539 /nfs/dbraw/zinc/76/85/39/572768539.db2.gz DQMHPRIHRMCJCZ-RYGSOJJJSA-N 0 0 154.253 2.504 10 0 AFAERN CCC/C=C/C=C/[C@H](C)CO 307919362 572768579 /nfs/dbraw/zinc/76/85/79/572768579.db2.gz GRXKGDIHUPJNGD-DOYBTKHBSA-N 0 0 154.253 2.527 10 0 AFAERN C[C@H](CCCO)CCOC(C)(C)C 308123706 572768744 /nfs/dbraw/zinc/76/87/44/572768744.db2.gz UBFPICHMXNJZBL-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CCC(CC)C[C@]1(O)CC[C@H]1C 308123752 572768778 /nfs/dbraw/zinc/76/87/78/572768778.db2.gz SUFLELWNPFTUII-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](OC)[C@@H](C)CCCCCO 308123853 572768783 /nfs/dbraw/zinc/76/87/83/572768783.db2.gz UMBBSTPFDBMHAJ-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCCC1(C(=O)CC2CC2)CC1 308123788 572768806 /nfs/dbraw/zinc/76/88/06/572768806.db2.gz SWHVZKCCACHADN-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@H](O)[C@@H](C)C1=CC=CC=CC=C1 308123613 572768827 /nfs/dbraw/zinc/76/88/27/572768827.db2.gz SSSOXGMRRJBGBN-MNOVXSKESA-N 0 0 176.259 2.612 10 0 AFAERN CCCC[C@H](OC)[C@H](O)CCCC 308123707 572768867 /nfs/dbraw/zinc/76/88/67/572768867.db2.gz UBFPJYOXVCQGPN-MNOVXSKESA-N 0 0 188.311 2.743 10 0 AFAERN CCC[C@H](O)/C=C\[C@@H](CCC)OC 308123873 572768900 /nfs/dbraw/zinc/76/89/00/572768900.db2.gz UPJPXWRYAFYXCU-DOSOYNOZSA-N 0 0 186.295 2.519 10 0 AFAERN C[C@@H](C1=CC=CC=CC=C1)[C@@H](C)O 308123611 572768938 /nfs/dbraw/zinc/76/89/38/572768938.db2.gz SSSOXGMRRJBGBN-GHMZBOCLSA-N 0 0 176.259 2.612 10 0 AFAERN CCC/C=C/C=C\[C@@H](C)CO 307919363 572768956 /nfs/dbraw/zinc/76/89/56/572768956.db2.gz GRXKGDIHUPJNGD-FSXIPVEJSA-N 0 0 154.253 2.527 10 0 AFAERN C[C@H](O)[C@H](C)C1=CC=CC=CC=C1 308123615 572768964 /nfs/dbraw/zinc/76/89/64/572768964.db2.gz SSSOXGMRRJBGBN-QWRGUYRKSA-N 0 0 176.259 2.612 10 0 AFAERN CCSCCS[C@H]1CCCO1 307918635 572768983 /nfs/dbraw/zinc/76/89/83/572768983.db2.gz FDNXMXPMMKYKRF-QMMMGPOBSA-N 0 0 192.349 2.609 10 0 AFAERN C[C@@H](O)[C@H](C)C1=CC=CC=CC=C1 308123617 572769004 /nfs/dbraw/zinc/76/90/04/572769004.db2.gz SSSOXGMRRJBGBN-WDEREUQCSA-N 0 0 176.259 2.612 10 0 AFAERN CC[C@H](/C=C\CC(C)C)CO 307919381 572769063 /nfs/dbraw/zinc/76/90/63/572769063.db2.gz GTGSWSRGDFTBLV-ONRRBMGISA-N 0 0 156.269 2.607 10 0 AFAERN CCC(CC)C[C@]1(O)CC[C@@H]1C 308123750 572769133 /nfs/dbraw/zinc/76/91/33/572769133.db2.gz SUFLELWNPFTUII-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](O)/C=C\[C@H](CCC)OC 308123874 572769249 /nfs/dbraw/zinc/76/92/49/572769249.db2.gz UPJPXWRYAFYXCU-QGNYPYLESA-N 0 0 186.295 2.519 10 0 AFAERN C/C=C\[C@H](C)[C@@H](O)c1ccccc1 308123623 572769283 /nfs/dbraw/zinc/76/92/83/572769283.db2.gz STFSCXLAERQKEO-KCFFJKCSSA-N 0 0 176.259 2.932 10 0 AFAERN CCC(CC)C[C@@]1(O)CC[C@H]1C 308123751 572769296 /nfs/dbraw/zinc/76/92/96/572769296.db2.gz SUFLELWNPFTUII-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CCC/C(=C\[C@H](C)O)C1CC1 307918342 572769444 /nfs/dbraw/zinc/76/94/44/572769444.db2.gz DQMHPRIHRMCJCZ-VKHJRQFRSA-N 0 0 154.253 2.504 10 0 AFAERN CCC(CC)C[C@@]1(O)CC[C@@H]1C 308123753 572769477 /nfs/dbraw/zinc/76/94/77/572769477.db2.gz SUFLELWNPFTUII-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCCCn1ccc(CO)c1 85588691 572769535 /nfs/dbraw/zinc/76/95/35/572769535.db2.gz JYJCPICHJOAUEL-UHFFFAOYSA-N 0 0 181.279 2.561 10 0 AFAERN CC[C@H](/C=C/CC(C)C)CO 307919379 572769621 /nfs/dbraw/zinc/76/96/21/572769621.db2.gz GTGSWSRGDFTBLV-BREXMAIKSA-N 0 0 156.269 2.607 10 0 AFAERN CC(C)CNc1ccccc1[C@H](C)O 49542035 572769625 /nfs/dbraw/zinc/76/96/25/572769625.db2.gz XRHBSWRVXMGBMR-JTQLQIEISA-N 0 0 193.290 2.808 10 0 AFAERN CC[C@@H](/C=C/CC(C)C)CO 307919382 572769705 /nfs/dbraw/zinc/76/97/05/572769705.db2.gz GTGSWSRGDFTBLV-STUBTGCMSA-N 0 0 156.269 2.607 10 0 AFAERN Cl/C=C\CSC1CCOCC1 307920639 572769781 /nfs/dbraw/zinc/76/97/81/572769781.db2.gz KJJYQLISZDRHDJ-RJRFIUFISA-N 0 0 192.711 2.651 10 0 AFAERN C/C=C\CC(C/C=C/C)O[C@H](C)O 308125263 572769906 /nfs/dbraw/zinc/76/99/06/572769906.db2.gz ZCHDJTUKFSNLBA-RLRNOFTQSA-N 0 0 184.279 2.642 10 0 AFAERN CC[C@@H](/C=C\CC(C)C)CO 307919380 572769931 /nfs/dbraw/zinc/76/99/31/572769931.db2.gz GTGSWSRGDFTBLV-BXKUYDPTSA-N 0 0 156.269 2.607 10 0 AFAERN CCCN[C@@]1(C(F)(F)F)CC[C@@H]1C 308125428 572769978 /nfs/dbraw/zinc/76/99/78/572769978.db2.gz AQNMIRVLTQLAQI-YUMQZZPRSA-N 0 0 195.228 2.717 10 0 AFAERN CCSCCS[C@@H]1CCCO1 307918634 572770049 /nfs/dbraw/zinc/77/00/49/572770049.db2.gz FDNXMXPMMKYKRF-MRVPVSSYSA-N 0 0 192.349 2.609 10 0 AFAERN CC[C@H](O)[C@H](CC)SC(C)C 307918855 572770139 /nfs/dbraw/zinc/77/01/39/572770139.db2.gz FOCJCICLOCENCC-IUCAKERBSA-N 0 0 176.325 2.678 10 0 AFAERN CCCN[C@@]1(C(F)(F)F)CC[C@H]1C 308125427 572770147 /nfs/dbraw/zinc/77/01/47/572770147.db2.gz AQNMIRVLTQLAQI-SFYZADRCSA-N 0 0 195.228 2.717 10 0 AFAERN CCC/C=C/C=C/[C@@H](C)CO 307919364 572770263 /nfs/dbraw/zinc/77/02/63/572770263.db2.gz GRXKGDIHUPJNGD-YEHZPGOWSA-N 0 0 154.253 2.527 10 0 AFAERN CC(C)CNc1ccccc1[C@@H](C)O 49542034 572770269 /nfs/dbraw/zinc/77/02/69/572770269.db2.gz XRHBSWRVXMGBMR-SNVBAGLBSA-N 0 0 193.290 2.808 10 0 AFAERN C/C=C\CC(C/C=C\C)O[C@H](C)O 308125261 572770380 /nfs/dbraw/zinc/77/03/80/572770380.db2.gz ZCHDJTUKFSNLBA-PKRGSGFMSA-N 0 0 184.279 2.642 10 0 AFAERN CC(C)C[C@H](C)C(=O)C(C)(C)F 308125379 572770443 /nfs/dbraw/zinc/77/04/43/572770443.db2.gz VEPQCDUQZTYANI-QMMMGPOBSA-N 0 0 174.259 2.986 10 0 AFAERN CCC/C=C/C=C\[C@H](C)CO 307919361 572770544 /nfs/dbraw/zinc/77/05/44/572770544.db2.gz GRXKGDIHUPJNGD-AILJGOMRSA-N 0 0 154.253 2.527 10 0 AFAERN O[C@@H]1C=CCC=CCCC=CCC1 308125184 572770587 /nfs/dbraw/zinc/77/05/87/572770587.db2.gz YTUUTRZLNCPZRZ-GFCCVEGCSA-N 0 0 178.275 2.980 10 0 AFAERN CC[C@H](SC)[C@@H](O)c1ccccc1 308125807 572770605 /nfs/dbraw/zinc/77/06/05/572770605.db2.gz ARGCJMAQEUYDTG-QWRGUYRKSA-N 0 0 196.315 2.862 10 0 AFAERN C/C=C(\C)[C@@H]1C[C@@H](CCO)C1(C)C 308125639 572770608 /nfs/dbraw/zinc/77/06/08/572770608.db2.gz AGXLCCQKALVIIH-DTGHLQKHSA-N 0 0 182.307 2.997 10 0 AFAERN C/C=C\C[C@@H](O)Cc1ccccc1 308125241 572770689 /nfs/dbraw/zinc/77/06/89/572770689.db2.gz YZVWTJRXZXEWCU-ZZKXABKFSA-N 0 0 176.259 2.556 10 0 AFAERN C/C=C\c1ccccc1C[C@H](C)O 308125558 572770757 /nfs/dbraw/zinc/77/07/57/572770757.db2.gz ZLNOEODHDPOXAN-NWPZZWLHSA-N 0 0 176.259 2.643 10 0 AFAERN CCOCCCC(=O)C1(C(C)C)CC1 689505802 572770851 /nfs/dbraw/zinc/77/08/51/572770851.db2.gz MDFBSIBRSNTGTG-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN CCCCC(=O)CCCCF 307924333 572771194 /nfs/dbraw/zinc/77/11/94/572771194.db2.gz OTSFVWLIIBVLIL-UHFFFAOYSA-N 0 0 160.232 2.886 10 0 AFAERN Cc1ccoc1[C@@H](O)CCCCF 308126099 572771356 /nfs/dbraw/zinc/77/13/56/572771356.db2.gz AYRDWVWFMHEDJS-VIFPVBQESA-N 0 0 186.226 2.761 10 0 AFAERN C[Si](C)(C)/C=C\[C@H](O)c1ccco1 308125159 572771461 /nfs/dbraw/zinc/77/14/61/572771461.db2.gz YQMZSOABMBGMDC-XZLDQRQTSA-N 0 0 196.322 2.747 10 0 AFAERN C=CC1=CCCCCCC[C@@H]1O 307931185 572771823 /nfs/dbraw/zinc/77/18/23/572771823.db2.gz BEPGLUXHIKJWEC-NSHDSACASA-N 0 0 166.264 2.814 10 0 AFAERN CCCN[C@]1(C(F)(F)F)CC[C@H]1C 308125425 572771943 /nfs/dbraw/zinc/77/19/43/572771943.db2.gz AQNMIRVLTQLAQI-HTQZYQBOSA-N 0 0 195.228 2.717 10 0 AFAERN CCCCC[C@@H](O)CCCCOC 308125782 572772223 /nfs/dbraw/zinc/77/22/23/572772223.db2.gz AHZQDIUAGJMVSG-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)C(=O)C(C1CC1)C1CC1 307930974 572772245 /nfs/dbraw/zinc/77/22/45/572772245.db2.gz CAECQWZOIJOERN-UHFFFAOYSA-N 0 0 166.264 2.648 10 0 AFAERN O[C@H]1C=CCC=CCCC=CCC1 308125187 572772349 /nfs/dbraw/zinc/77/23/49/572772349.db2.gz YTUUTRZLNCPZRZ-LBPRGKRZSA-N 0 0 178.275 2.980 10 0 AFAERN CC/C(=C\c1ccn(CC)c1)[N+](=O)[O-] 85605341 572772386 /nfs/dbraw/zinc/77/23/86/572772386.db2.gz AGAIHIVHVJBEBY-JXMROGBWSA-N 0 0 194.234 2.536 10 0 AFAERN CC(C)C[C@@H](C)C(=O)C(C)(C)F 308125378 572772415 /nfs/dbraw/zinc/77/24/15/572772415.db2.gz VEPQCDUQZTYANI-MRVPVSSYSA-N 0 0 174.259 2.986 10 0 AFAERN CCCCCC[C@](F)(Cl)CO 307923623 572772730 /nfs/dbraw/zinc/77/27/30/572772730.db2.gz NVYSXKQTPHSWCB-MRVPVSSYSA-N 0 0 182.666 2.854 10 0 AFAERN CCC/C=C1/[C@@H](O)CC[C@H]1C 307924720 572772767 /nfs/dbraw/zinc/77/27/67/572772767.db2.gz PCQVGAMJENQZNC-FEACWQMQSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1ccc(C)n1Cc1nccs1 49534614 572772860 /nfs/dbraw/zinc/77/28/60/572772860.db2.gz OYKCSIWBHHVWEP-UHFFFAOYSA-N 0 0 192.287 2.610 10 0 AFAERN C=Cc1ccccc1C1CC(=O)C1 141557672 572773080 /nfs/dbraw/zinc/77/30/80/572773080.db2.gz SEVMXLLRIRFFFC-UHFFFAOYSA-N 0 0 172.227 2.776 10 0 AFAERN Brc1cc2ccncc2o1 141553158 572773090 /nfs/dbraw/zinc/77/30/90/572773090.db2.gz CWVYHXBAPQCSKH-UHFFFAOYSA-N 0 0 198.019 2.590 10 0 AFAERN C/C=C\c1ccccc1C[C@@H](C)O 308125559 572773091 /nfs/dbraw/zinc/77/30/91/572773091.db2.gz ZLNOEODHDPOXAN-XICOKMJESA-N 0 0 176.259 2.643 10 0 AFAERN CCC/C=C\[C@@H]1C(=O)[C@@H]2CCC[C@@H]12 308116739 572773723 /nfs/dbraw/zinc/77/37/23/572773723.db2.gz WKPOLWIXYJISEY-ZZERUQEVSA-N 0 0 178.275 2.958 10 0 AFAERN CC[C@H](C)Nc1ccccc1[C@H](C)O 49542514 572773322 /nfs/dbraw/zinc/77/33/22/572773322.db2.gz CBLIKRXXZYYUGX-UWVGGRQHSA-N 0 0 193.290 2.950 10 0 AFAERN C/C(Cl)=C(\CO)c1ccccc1 307931074 572773350 /nfs/dbraw/zinc/77/33/50/572773350.db2.gz ATRCETBMDIAICU-NTMALXAHSA-N 0 0 182.650 2.649 10 0 AFAERN CC[C@H](C)Nc1ccccc1[C@@H](C)O 49542512 572773420 /nfs/dbraw/zinc/77/34/20/572773420.db2.gz CBLIKRXXZYYUGX-VHSXEESVSA-N 0 0 193.290 2.950 10 0 AFAERN C=CC1=CCCCCCC[C@H]1O 307931183 572773450 /nfs/dbraw/zinc/77/34/50/572773450.db2.gz BEPGLUXHIKJWEC-LLVKDONJSA-N 0 0 166.264 2.814 10 0 AFAERN CCC(O)(CC)c1ccc(O)c(C)c1 141553716 572773726 /nfs/dbraw/zinc/77/37/26/572773726.db2.gz IDUBBTVYGAWCIS-UHFFFAOYSA-N 0 0 194.274 2.708 10 0 AFAERN C[C@@H](O)c1ccccc1NCC1CC1 49542870 572773595 /nfs/dbraw/zinc/77/35/95/572773595.db2.gz YIZREKDOIXKERJ-SECBINFHSA-N 0 0 191.274 2.562 10 0 AFAERN O[C@@H]1C=CCCC=CCCC=CC1 308117095 572773596 /nfs/dbraw/zinc/77/35/96/572773596.db2.gz BMCCGHIXXOCVKS-GFCCVEGCSA-N 0 0 178.275 2.980 10 0 AFAERN C[C@H]1C/C(=C/CO)CC(C)(C)C1 307931188 572773623 /nfs/dbraw/zinc/77/36/23/572773623.db2.gz CTMDCPXCSPVYPO-SGRPLGENSA-N 0 0 168.280 2.751 10 0 AFAERN CCCCCC[C@@](F)(Cl)CO 307923624 572773676 /nfs/dbraw/zinc/77/36/76/572773676.db2.gz NVYSXKQTPHSWCB-QMMMGPOBSA-N 0 0 182.666 2.854 10 0 AFAERN CCC/C=C1\[C@H](C)CC[C@H]1O 307924721 572773707 /nfs/dbraw/zinc/77/37/07/572773707.db2.gz PCQVGAMJENQZNC-QCHKVSTKSA-N 0 0 154.253 2.504 10 0 AFAERN O[C@H]1C=CCCC=CCCC=CC1 308117096 572773922 /nfs/dbraw/zinc/77/39/22/572773922.db2.gz BMCCGHIXXOCVKS-LBPRGKRZSA-N 0 0 178.275 2.980 10 0 AFAERN CC(=O)[C@@H]1C(C)=CCCC12CC2 141563814 572776002 /nfs/dbraw/zinc/77/60/02/572776002.db2.gz ROSFSEHODJCNBB-JTQLQIEISA-N 0 0 164.248 2.712 10 0 AFAERN C/C(F)=C(\F)[C@@H](O)c1ccccc1 308117082 572774013 /nfs/dbraw/zinc/77/40/13/572774013.db2.gz BLIIDMPQOZXIRN-PCYYEKQGSA-N 0 0 184.185 2.891 10 0 AFAERN CCCN[C@@H](C1CCC1)C(F)(F)F 85703244 572774233 /nfs/dbraw/zinc/77/42/33/572774233.db2.gz XDQHCTWYAGSWRW-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN CCC/C=C\[C@@H]1C(=O)[C@@H]2CCC[C@H]12 308116737 572774251 /nfs/dbraw/zinc/77/42/51/572774251.db2.gz WKPOLWIXYJISEY-CMFHHEJOSA-N 0 0 178.275 2.958 10 0 AFAERN C/C=C/[C@H](C)[C@@H](O)CCCC 307927281 572774283 /nfs/dbraw/zinc/77/42/83/572774283.db2.gz SFMZGWLMCXSJJI-MLXLLJIISA-N 0 0 156.269 2.750 10 0 AFAERN CC/C(=C\c1cccn1CC)[N+](=O)[O-] 85608033 572774397 /nfs/dbraw/zinc/77/43/97/572774397.db2.gz CRDPCRWCPJUILO-CMDGGOBGSA-N 0 0 194.234 2.536 10 0 AFAERN C[NH2+]C(C(C)C)(C(C)C)C(F)F 307928002 572774800 /nfs/dbraw/zinc/77/48/00/572774800.db2.gz AATXLINMKZARKL-UHFFFAOYSA-N 0 0 179.254 2.522 10 0 AFAERN CCCN[C@H](C1CCC1)C(F)(F)F 85703246 572775025 /nfs/dbraw/zinc/77/50/25/572775025.db2.gz XDQHCTWYAGSWRW-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN CCCCCC[C@H](O)[C@@H](C)C(C)=O 141566324 572775410 /nfs/dbraw/zinc/77/54/10/572775410.db2.gz XBZHCRFAEBVVSK-ONGXEEELSA-N 0 0 186.295 2.543 10 0 AFAERN C=C/C=C/CCC(=O)C[C@@H](C)COC 713746058 572775161 /nfs/dbraw/zinc/77/51/61/572775161.db2.gz PNMLPIPKQIGBGV-MVIFTORASA-N 0 0 196.290 2.751 10 0 AFAERN C=C/C=C/CCC(=O)C[C@H](C)COC 713746059 572775165 /nfs/dbraw/zinc/77/51/65/572775165.db2.gz PNMLPIPKQIGBGV-QRGHLMKCSA-N 0 0 196.290 2.751 10 0 AFAERN CSc1nccn1CCC(C)C 307927982 572775190 /nfs/dbraw/zinc/77/51/90/572775190.db2.gz AZGVTALBVKJADK-UHFFFAOYSA-N 0 0 184.308 2.651 10 0 AFAERN COCC[C@H](C)SC(C)(C)C 307925916 572775288 /nfs/dbraw/zinc/77/52/88/572775288.db2.gz QNHJTPXMUNSPAK-QMMMGPOBSA-N 0 0 176.325 2.943 10 0 AFAERN C=C/C=C\CCC(=O)C[C@H](C)COC 713746051 572775319 /nfs/dbraw/zinc/77/53/19/572775319.db2.gz PNMLPIPKQIGBGV-GZTOBOFZSA-N 0 0 196.290 2.751 10 0 AFAERN CC/C(=C\[C@@H](C)O)c1cccs1 307926144 572775393 /nfs/dbraw/zinc/77/53/93/572775393.db2.gz VNNNEHCWQXEXON-KGOFQHAKSA-N 0 0 182.288 2.922 10 0 AFAERN CCCn1cccc1/C=C(/C)[N+](=O)[O-] 85608024 572775396 /nfs/dbraw/zinc/77/53/96/572775396.db2.gz ZEVWDTMJBSSOSE-HJWRWDBZSA-N 0 0 194.234 2.536 10 0 AFAERN CC(C)Nc1ccccc1[C@@H](C)O 49542232 572775550 /nfs/dbraw/zinc/77/55/50/572775550.db2.gz ICENPPGGBJVJJU-SECBINFHSA-N 0 0 179.263 2.560 10 0 AFAERN Cc1nc(-c2ccc(O)cc2)oc1C 141565890 572775635 /nfs/dbraw/zinc/77/56/35/572775635.db2.gz ICMXGUSVRBFVFX-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN CCO[C@H](/C=C\C[C@@H](O)CC)CC 308117637 572775776 /nfs/dbraw/zinc/77/57/76/572775776.db2.gz CMWNYULYQMPVNX-RHJQIECPSA-N 0 0 186.295 2.519 10 0 AFAERN C[C@H](O)c1ccccc1NCC1CC1 49542869 572775800 /nfs/dbraw/zinc/77/58/00/572775800.db2.gz YIZREKDOIXKERJ-VIFPVBQESA-N 0 0 191.274 2.562 10 0 AFAERN C=C/C=C\CCC(=O)C[C@@H](C)COC 713746057 572775923 /nfs/dbraw/zinc/77/59/23/572775923.db2.gz PNMLPIPKQIGBGV-ISALQUGTSA-N 0 0 196.290 2.751 10 0 AFAERN CC(=O)[C@H]1C(C)=CCCC12CC2 141564020 572776153 /nfs/dbraw/zinc/77/61/53/572776153.db2.gz ROSFSEHODJCNBB-SNVBAGLBSA-N 0 0 164.248 2.712 10 0 AFAERN CC1(C)C(=O)[C@H]2CCC=CCC[C@H]21 308118501 572776196 /nfs/dbraw/zinc/77/61/96/572776196.db2.gz YRNVLWPBQCJJRU-VHSXEESVSA-N 0 0 178.275 2.958 10 0 AFAERN COc1ccc(C(=O)CC(C)C)s1 308118342 572776334 /nfs/dbraw/zinc/77/63/34/572776334.db2.gz BCEKWTCXSGAWAB-UHFFFAOYSA-N 0 0 198.287 2.986 10 0 AFAERN CC(C)Nc1ccccc1[C@H](C)O 49542233 572776399 /nfs/dbraw/zinc/77/63/99/572776399.db2.gz ICENPPGGBJVJJU-VIFPVBQESA-N 0 0 179.263 2.560 10 0 AFAERN CC(=O)[C@@H](C)CS[C@H](C)C(C)C 308117572 572776514 /nfs/dbraw/zinc/77/65/14/572776514.db2.gz NGSJTYGBHIJGHH-WCBMZHEXSA-N 0 0 188.336 2.989 10 0 AFAERN CCN(CC)C(=S)SC1CC1 307928220 572776595 /nfs/dbraw/zinc/77/65/95/572776595.db2.gz SWRZCWSCZJUGAS-UHFFFAOYSA-N 0 0 189.349 2.509 10 0 AFAERN O=C1CCCC[C@@H]1CCCCCCO 236478271 572776666 /nfs/dbraw/zinc/77/66/66/572776666.db2.gz JRPZRURWQLFQET-NSHDSACASA-N 0 0 198.306 2.689 10 0 AFAERN CCCCC[C@@H]1[C@@H]2CC[C@H](O)[C@@H]21 308118671 572776768 /nfs/dbraw/zinc/77/67/68/572776768.db2.gz NRTQGQBIZZGRDX-VPOLOUISSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1ccc(F)nc1 686123937 572776816 /nfs/dbraw/zinc/77/68/16/572776816.db2.gz CJLQCBPVCGOXQX-SCZZXKLOSA-N 0 0 197.253 2.690 10 0 AFAERN CC[C@@H](C)[C@H](O)CCCCF 307929683 572777348 /nfs/dbraw/zinc/77/73/48/572777348.db2.gz UVTRZZHJQDLRFN-RKDXNWHRSA-N 0 0 162.248 2.533 10 0 AFAERN CC(C)(C)CCC[C@H](O)C1CC1 71007545 572777443 /nfs/dbraw/zinc/77/74/43/572777443.db2.gz MDLUIYYUBWUOSD-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C\C(=C\c1ccccc1)CO 308117621 572777462 /nfs/dbraw/zinc/77/74/62/572777462.db2.gz CHAKIZYZDFCPRH-JDYLGEEESA-N 0 0 174.243 2.638 10 0 AFAERN CC(C)(C)CCC(=O)OC1CC1 307929243 572777561 /nfs/dbraw/zinc/77/75/61/572777561.db2.gz BEPFLCOKALDFIQ-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN CC(=O)[C@H](C)CS[C@@H](C)C(C)C 308117571 572777672 /nfs/dbraw/zinc/77/76/72/572777672.db2.gz NGSJTYGBHIJGHH-SCZZXKLOSA-N 0 0 188.336 2.989 10 0 AFAERN CC(=O)[C@@H](C)CS[C@@H](C)C(C)C 308117573 572777701 /nfs/dbraw/zinc/77/77/01/572777701.db2.gz NGSJTYGBHIJGHH-WPRPVWTQSA-N 0 0 188.336 2.989 10 0 AFAERN C=C/C=C/CCC(=O)C(C)(C)COC 713748896 572778685 /nfs/dbraw/zinc/77/86/85/572778685.db2.gz SKZRYXIMFPEGFF-VOTSOKGWSA-N 0 0 196.290 2.751 10 0 AFAERN CC(C)=CCC/C(C)=C\CC(N)=O 211289715 572777945 /nfs/dbraw/zinc/77/79/45/572777945.db2.gz LTSWTLFJIAKHGS-YFHOEESVSA-N 0 0 181.279 2.555 10 0 AFAERN CC1(C)C(=O)[C@@H]2CCC=CCC[C@H]21 308118500 572777988 /nfs/dbraw/zinc/77/79/88/572777988.db2.gz YRNVLWPBQCJJRU-NXEZZACHSA-N 0 0 178.275 2.958 10 0 AFAERN C/C=C\C(=C/c1ccccc1)CO 308117623 572778696 /nfs/dbraw/zinc/77/86/96/572778696.db2.gz CHAKIZYZDFCPRH-WAMXEZOVSA-N 0 0 174.243 2.638 10 0 AFAERN CC[C@H](C)[C@@H](O)CCCCF 307929682 572778059 /nfs/dbraw/zinc/77/80/59/572778059.db2.gz UVTRZZHJQDLRFN-IUCAKERBSA-N 0 0 162.248 2.533 10 0 AFAERN C=C/C=C\CCC(=O)C(C)(C)COC 713748890 572778357 /nfs/dbraw/zinc/77/83/57/572778357.db2.gz SKZRYXIMFPEGFF-SREVYHEPSA-N 0 0 196.290 2.751 10 0 AFAERN CC[C@H](C)C[C@H](O)c1ccc(F)nc1 686123940 572778395 /nfs/dbraw/zinc/77/83/95/572778395.db2.gz CJLQCBPVCGOXQX-WPRPVWTQSA-N 0 0 197.253 2.690 10 0 AFAERN C/C=C\[C@H](CC)[C@@H](O)/C=C\C 307930456 572778416 /nfs/dbraw/zinc/77/84/16/572778416.db2.gz UYOUFJMXXKZQOX-GSRSXTGTSA-N 0 0 154.253 2.526 10 0 AFAERN CC(=O)[C@H](C)CS[C@H](C)C(C)C 308117570 572778632 /nfs/dbraw/zinc/77/86/32/572778632.db2.gz NGSJTYGBHIJGHH-PSASIEDQSA-N 0 0 188.336 2.989 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1ccc(F)nc1 686123938 572778800 /nfs/dbraw/zinc/77/88/00/572778800.db2.gz CJLQCBPVCGOXQX-WCBMZHEXSA-N 0 0 197.253 2.690 10 0 AFAERN CCCc1c(N)cnn1C(CC)CC 85634708 572778972 /nfs/dbraw/zinc/77/89/72/572778972.db2.gz RWAGXKHIXNBSRU-UHFFFAOYSA-N 0 0 195.310 2.779 10 0 AFAERN CC1=CCCC=CC[C@H](O)CC1 307930612 572778998 /nfs/dbraw/zinc/77/89/98/572778998.db2.gz BICPVXRBGMCZMG-NSHDSACASA-N 0 0 166.264 2.814 10 0 AFAERN O=C1CCCC[C@H]1CCCCCCO 236477525 572779099 /nfs/dbraw/zinc/77/90/99/572779099.db2.gz JRPZRURWQLFQET-LLVKDONJSA-N 0 0 198.306 2.689 10 0 AFAERN CC[C@H](C)c1csc([C@H](C)O)n1 71026470 572779143 /nfs/dbraw/zinc/77/91/43/572779143.db2.gz MQYWUIRVIPYYRX-BQBZGAKWSA-N 0 0 185.292 2.710 10 0 AFAERN CCC(CC)n1ncc(N)c1C1CC1 85634714 572779153 /nfs/dbraw/zinc/77/91/53/572779153.db2.gz PEFCXMCNYJZKQN-UHFFFAOYSA-N 0 0 193.294 2.704 10 0 AFAERN C/C=C\[C@H](O)[C@H](/C=C/C)CC 307930481 572779212 /nfs/dbraw/zinc/77/92/12/572779212.db2.gz UYOUFJMXXKZQOX-IFRBWXQSSA-N 0 0 154.253 2.526 10 0 AFAERN CCC1(C(=O)CC2CCC2)CC1 308120407 572779218 /nfs/dbraw/zinc/77/92/18/572779218.db2.gz PBPDLEJHYJCCSJ-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@H](C)C/C=C\C[C@H](C)O 307928820 572779301 /nfs/dbraw/zinc/77/93/01/572779301.db2.gz UDAPOMFZBMBLJV-QEJZFVATSA-N 0 0 156.269 2.750 10 0 AFAERN CCc1ccc(/C=C(\C)[C@H](C)O)o1 308119544 572779773 /nfs/dbraw/zinc/77/97/73/572779773.db2.gz ZNUDUJCTBZLGPQ-FLOXNTQESA-N 0 0 180.247 2.626 10 0 AFAERN CC[C@H](C)C/C=C\C[C@@H](C)O 307928818 572780043 /nfs/dbraw/zinc/78/00/43/572780043.db2.gz UDAPOMFZBMBLJV-NRAIBSHISA-N 0 0 156.269 2.750 10 0 AFAERN COc1cc(F)ccc1-n1cccc1 49570126 572780102 /nfs/dbraw/zinc/78/01/02/572780102.db2.gz PGORQFSZYALEBV-UHFFFAOYSA-N 0 0 191.205 2.625 10 0 AFAERN C=C/C=C\CC[C@@H](NN)C1CCCC1 713750753 572782004 /nfs/dbraw/zinc/78/20/04/572782004.db2.gz DQQWXXXJEVGMNY-VSQXVHSFSA-N 0 0 194.322 2.531 10 0 AFAERN C/C=C(/C=C/C=C(C)C)CCO 307929589 572780184 /nfs/dbraw/zinc/78/01/84/572780184.db2.gz ASCZZLCYHIRJSA-DEEYYDKOSA-N 0 0 166.264 2.838 10 0 AFAERN CC[C@H](C)[C@H](O)CCCCF 307929681 572780213 /nfs/dbraw/zinc/78/02/13/572780213.db2.gz UVTRZZHJQDLRFN-DTWKUNHWSA-N 0 0 162.248 2.533 10 0 AFAERN CC[C@H](C)c1csc([C@@H](C)O)n1 71026467 572780226 /nfs/dbraw/zinc/78/02/26/572780226.db2.gz MQYWUIRVIPYYRX-NKWVEPMBSA-N 0 0 185.292 2.710 10 0 AFAERN C[C@@H](O)/C=C/C=C\C1=CCCCC1 308120295 572780235 /nfs/dbraw/zinc/78/02/35/572780235.db2.gz GDBGLLCKDDUEGP-XHUQAJMASA-N 0 0 178.275 2.980 10 0 AFAERN CC[C@@H](C)[C@@H](O)CCCCF 307929680 572780236 /nfs/dbraw/zinc/78/02/36/572780236.db2.gz UVTRZZHJQDLRFN-BDAKNGLRSA-N 0 0 162.248 2.533 10 0 AFAERN C=C/C=C/CCN[C@@H](C)C(F)(F)F 713751632 572780279 /nfs/dbraw/zinc/78/02/79/572780279.db2.gz ZBLNXBAGPDFUOE-ZJELKQJVSA-N 0 0 193.212 2.659 10 0 AFAERN CCc1ccc(/C=C(\C)[C@@H](C)O)o1 308119543 572780439 /nfs/dbraw/zinc/78/04/39/572780439.db2.gz ZNUDUJCTBZLGPQ-FCZSHJHJSA-N 0 0 180.247 2.626 10 0 AFAERN C=C/C=C\CCN[C@H](C)C(F)(F)F 713751630 572780603 /nfs/dbraw/zinc/78/06/03/572780603.db2.gz ZBLNXBAGPDFUOE-PULIVWKDSA-N 0 0 193.212 2.659 10 0 AFAERN C=C/C=C\CCN[C@@H](C)C(F)(F)F 713751629 572780645 /nfs/dbraw/zinc/78/06/45/572780645.db2.gz ZBLNXBAGPDFUOE-LGYSABEFSA-N 0 0 193.212 2.659 10 0 AFAERN CC(C)[C@@H]1CC[C@@H](C)/C(=C/CO)C1 308119745 572780668 /nfs/dbraw/zinc/78/06/68/572780668.db2.gz DOJDBEINGJYLSU-ZOINEBSPSA-N 0 0 182.307 2.997 10 0 AFAERN C=C/C=C/CCC[C@@H](O)CC 713751618 572780925 /nfs/dbraw/zinc/78/09/25/572780925.db2.gz ZAQSHCLVEYOEBY-PORFMDCZSA-N 0 0 154.253 2.670 10 0 AFAERN C[C@H](O)/C=C/C=C\C1=CCCCC1 308120294 572780926 /nfs/dbraw/zinc/78/09/26/572780926.db2.gz GDBGLLCKDDUEGP-WTCXZWICSA-N 0 0 178.275 2.980 10 0 AFAERN C[C@@H]1CC[C@H](C[C@H]2CCCCC2=O)O1 299994499 572781060 /nfs/dbraw/zinc/78/10/60/572781060.db2.gz LUQXFHIJJAOAPH-GMTAPVOTSA-N 0 0 196.290 2.703 10 0 AFAERN Cc1cc(C(=O)c2ccccc2)[nH]c1C 238540564 572781139 /nfs/dbraw/zinc/78/11/39/572781139.db2.gz WEGBFRGQBLROKR-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN C=C/C=C/CC[C@H](C)[C@@H](O)CC 713749469 572781500 /nfs/dbraw/zinc/78/15/00/572781500.db2.gz QGJUPOUFCRKQJG-JYLGIWJRSA-N 0 0 168.280 2.916 10 0 AFAERN C=C/C=C/CCC[C@H](O)CC 713751615 572781309 /nfs/dbraw/zinc/78/13/09/572781309.db2.gz ZAQSHCLVEYOEBY-BRAIEQGRSA-N 0 0 154.253 2.670 10 0 AFAERN C=C/C=C\CCC[C@@H](O)CC 713751616 572782940 /nfs/dbraw/zinc/78/29/40/572782940.db2.gz ZAQSHCLVEYOEBY-OMMCCPJFSA-N 0 0 154.253 2.670 10 0 AFAERN CC[C@@H](C)c1csc([C@H](C)O)n1 71026469 572781434 /nfs/dbraw/zinc/78/14/34/572781434.db2.gz MQYWUIRVIPYYRX-RQJHMYQMSA-N 0 0 185.292 2.710 10 0 AFAERN CC[C@@H](C)c1csc([C@@H](C)O)n1 71026465 572781535 /nfs/dbraw/zinc/78/15/35/572781535.db2.gz MQYWUIRVIPYYRX-RNFRBKRXSA-N 0 0 185.292 2.710 10 0 AFAERN CC(C)[C@H]1CC[C@@H](C)/C(=C/CO)C1 308119739 572781651 /nfs/dbraw/zinc/78/16/51/572781651.db2.gz DOJDBEINGJYLSU-HPTVMLIKSA-N 0 0 182.307 2.997 10 0 AFAERN C[C@@H]1CC[C@@H](C[C@H]2CCCCC2=O)O1 299994500 572781843 /nfs/dbraw/zinc/78/18/43/572781843.db2.gz LUQXFHIJJAOAPH-MXWKQRLJSA-N 0 0 196.290 2.703 10 0 AFAERN C=C/C=C\CC[C@H](C)[C@H](O)CC 713749470 572781881 /nfs/dbraw/zinc/78/18/81/572781881.db2.gz QGJUPOUFCRKQJG-QIAMSNJGSA-N 0 0 168.280 2.916 10 0 AFAERN CCC(CC)n1ncc(N)c1C(C)C 85634717 572781926 /nfs/dbraw/zinc/78/19/26/572781926.db2.gz SSIYOKFTOOHFSP-UHFFFAOYSA-N 0 0 195.310 2.950 10 0 AFAERN C[C@H](O)C[C@@H](CF)c1ccccc1 308120065 572781981 /nfs/dbraw/zinc/78/19/81/572781981.db2.gz FLZOKNGIILYMIZ-ONGXEEELSA-N 0 0 182.238 2.511 10 0 AFAERN Cl/C=C1\Cc2ccccc21 238539418 572782026 /nfs/dbraw/zinc/78/20/26/572782026.db2.gz UPIUZUDTDRFURD-SOFGYWHQSA-N 0 0 150.608 2.822 10 0 AFAERN C[C@@H](O)C[C@@H](CF)c1ccccc1 308120064 572782073 /nfs/dbraw/zinc/78/20/73/572782073.db2.gz FLZOKNGIILYMIZ-KOLCDFICSA-N 0 0 182.238 2.511 10 0 AFAERN Cc1ccc(SC/C=C\CO)cc1 308120022 572782078 /nfs/dbraw/zinc/78/20/78/572782078.db2.gz FCTHGDNQGBHSOT-IHWYPQMZSA-N 0 0 194.299 2.636 10 0 AFAERN C=C/C=C/CC[C@H](C)[C@H](O)CC 713749467 572782041 /nfs/dbraw/zinc/78/20/41/572782041.db2.gz QGJUPOUFCRKQJG-FQLSZKSXSA-N 0 0 168.280 2.916 10 0 AFAERN CCCC(=O)[C@H](C)c1ccccn1 85666715 572782325 /nfs/dbraw/zinc/78/23/25/572782325.db2.gz UGTBGFMTVVWKNL-SECBINFHSA-N 0 0 177.247 2.554 10 0 AFAERN CC1CC(OC(=O)CC(C)(C)C)C1 308129407 572782475 /nfs/dbraw/zinc/78/24/75/572782475.db2.gz BDYNRCUZEGDKLF-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@H](C)C(=O)[C@@H](C)c1ccccn1 85666619 572782503 /nfs/dbraw/zinc/78/25/03/572782503.db2.gz BPMRHCJUHFFJKB-UWVGGRQHSA-N 0 0 191.274 2.800 10 0 AFAERN C=C/C=C\CC[C@H](C)[C@@H](O)CC 713749472 572782569 /nfs/dbraw/zinc/78/25/69/572782569.db2.gz QGJUPOUFCRKQJG-TWHAFNCTSA-N 0 0 168.280 2.916 10 0 AFAERN CCOc1ccc([C@@H](C)[C@@H](C)O)cc1 85658865 572782786 /nfs/dbraw/zinc/78/27/86/572782786.db2.gz RMTSQHWGLFYYFR-VHSXEESVSA-N 0 0 194.274 2.570 10 0 AFAERN CCC[C@H](c1ccccc1)[C@@H](C)O 85658790 572782831 /nfs/dbraw/zinc/78/28/31/572782831.db2.gz JFPPSRGZPMPNOL-PWSUYJOCSA-N 0 0 178.275 2.951 10 0 AFAERN CCOc1ccc([C@H](C)[C@H](C)O)cc1 85658870 572782865 /nfs/dbraw/zinc/78/28/65/572782865.db2.gz RMTSQHWGLFYYFR-ZJUUUORDSA-N 0 0 194.274 2.570 10 0 AFAERN C=C/C=C/CC[C@H](NN)C1CCCC1 713750745 572782922 /nfs/dbraw/zinc/78/29/22/572782922.db2.gz DQQWXXXJEVGMNY-PCAWENJQSA-N 0 0 194.322 2.531 10 0 AFAERN CCCCC(=O)[C@H](C)c1ccccn1 85666648 572782993 /nfs/dbraw/zinc/78/29/93/572782993.db2.gz NMZIQXORFSTOQU-SNVBAGLBSA-N 0 0 191.274 2.944 10 0 AFAERN CCCC[C@H](O)[C@@H](C)c1ccccn1 85670358 572783001 /nfs/dbraw/zinc/78/30/01/572783001.db2.gz STYVHSKGKVIIBA-JQWIXIFHSA-N 0 0 193.290 2.736 10 0 AFAERN CCCC[C@@H](O)[C@H](C)c1ccccn1 85670367 572783065 /nfs/dbraw/zinc/78/30/65/572783065.db2.gz STYVHSKGKVIIBA-ZYHUDNBSSA-N 0 0 193.290 2.736 10 0 AFAERN Cc1cc2cccc3c2n1CCCC3=O 238527519 572783113 /nfs/dbraw/zinc/78/31/13/572783113.db2.gz UNQLDZCLFYUCKI-UHFFFAOYSA-N 0 0 199.253 2.926 10 0 AFAERN O[C@]1(CC2CCC2)[C@H]2CCCC[C@H]21 299994899 572783198 /nfs/dbraw/zinc/78/31/98/572783198.db2.gz KBCBQUVGLSMJHQ-GDNZZTSVSA-N 0 0 180.291 2.728 10 0 AFAERN CC(=O)[C@H](C)CCc1ccccc1 85662168 572783276 /nfs/dbraw/zinc/78/32/76/572783276.db2.gz RNQMTWRCPAGMEO-SNVBAGLBSA-N 0 0 176.259 2.844 10 0 AFAERN C=C/C=C\CC[C@H](CC1CCC1)NN 713751787 572783311 /nfs/dbraw/zinc/78/33/11/572783311.db2.gz IKUQLPXSBOOHJP-VSQXVHSFSA-N 0 0 194.322 2.531 10 0 AFAERN C[C@@H](C(=O)CC1CC1)c1ccccn1 85666644 572783339 /nfs/dbraw/zinc/78/33/39/572783339.db2.gz ORAHTVNMNUDZOP-SECBINFHSA-N 0 0 189.258 2.554 10 0 AFAERN C=C/C=C/CCN[C@H](C)C(F)(F)F 713751631 572783344 /nfs/dbraw/zinc/78/33/44/572783344.db2.gz ZBLNXBAGPDFUOE-WTSVBCDHSA-N 0 0 193.212 2.659 10 0 AFAERN CC[C@@H](C(C)=O)c1ccc(OC)cc1 85662428 572783349 /nfs/dbraw/zinc/78/33/49/572783349.db2.gz FOADYYCVQKJOTC-LBPRGKRZSA-N 0 0 192.258 2.778 10 0 AFAERN CC1(CC[C@@H](O)C2CC2)CCC1 308120606 572783350 /nfs/dbraw/zinc/78/33/50/572783350.db2.gz PIPSKZCAVSGOSH-SNVBAGLBSA-N 0 0 168.280 2.728 10 0 AFAERN CCOc1ccc([C@H](C)C(C)=O)cc1 85662504 572783456 /nfs/dbraw/zinc/78/34/56/572783456.db2.gz AEYFSZWFOLOBGE-SECBINFHSA-N 0 0 192.258 2.778 10 0 AFAERN C=C/C=C\CCC[C@H](O)CC 713751619 572783494 /nfs/dbraw/zinc/78/34/94/572783494.db2.gz ZAQSHCLVEYOEBY-WWQCOOJYSA-N 0 0 154.253 2.670 10 0 AFAERN C[C@H](C(=O)CC1CC1)c1ccccn1 85666642 572783545 /nfs/dbraw/zinc/78/35/45/572783545.db2.gz ORAHTVNMNUDZOP-VIFPVBQESA-N 0 0 189.258 2.554 10 0 AFAERN CC[C@@H](C)C(=O)[C@H](C)c1ccccn1 85666620 572783558 /nfs/dbraw/zinc/78/35/58/572783558.db2.gz BPMRHCJUHFFJKB-NXEZZACHSA-N 0 0 191.274 2.800 10 0 AFAERN C=C=C[C@@H](O)c1cc2ccccc2n1C 238539965 572783643 /nfs/dbraw/zinc/78/36/43/572783643.db2.gz WOOKDHXRSVNQKA-CYBMUJFWSA-N 0 0 199.253 2.553 10 0 AFAERN CCOc1ccccc1[C@H](C)C(C)=O 85662538 572783651 /nfs/dbraw/zinc/78/36/51/572783651.db2.gz ZNTXJVVLLOJYRN-SECBINFHSA-N 0 0 192.258 2.778 10 0 AFAERN CCCC[C@H](O)[C@H](C)c1ccccn1 85670364 572783725 /nfs/dbraw/zinc/78/37/25/572783725.db2.gz STYVHSKGKVIIBA-PWSUYJOCSA-N 0 0 193.290 2.736 10 0 AFAERN CCC[C@@H](c1ccccc1)[C@H](C)O 85658791 572783785 /nfs/dbraw/zinc/78/37/85/572783785.db2.gz JFPPSRGZPMPNOL-CMPLNLGQSA-N 0 0 178.275 2.951 10 0 AFAERN O[C@H](CCCCF)[C@H]1C[C@@H]2C[C@@H]2C1 308128679 572783819 /nfs/dbraw/zinc/78/38/19/572783819.db2.gz CLXBACNGPQCBGJ-LMLFDSFASA-N 0 0 186.270 2.533 10 0 AFAERN CCCC(=O)[C@H](C)c1ccncc1 85665836 572783858 /nfs/dbraw/zinc/78/38/58/572783858.db2.gz ZAKMIARRLQBNBC-SECBINFHSA-N 0 0 177.247 2.554 10 0 AFAERN C=C=C[C@H](O)c1cc2ccccc2n1C 238539759 572783875 /nfs/dbraw/zinc/78/38/75/572783875.db2.gz WOOKDHXRSVNQKA-ZDUSSCGKSA-N 0 0 199.253 2.553 10 0 AFAERN CCOc1ccccc1[C@@H](C)C(C)=O 85662536 572784068 /nfs/dbraw/zinc/78/40/68/572784068.db2.gz ZNTXJVVLLOJYRN-VIFPVBQESA-N 0 0 192.258 2.778 10 0 AFAERN Cc1nc2c(ccc3cccc(N)c32)[nH]1 238527200 572784063 /nfs/dbraw/zinc/78/40/63/572784063.db2.gz HDMQZMYYDAWHRU-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN CC[C@H](C(C)=O)c1ccc(OC)cc1 85662425 572784073 /nfs/dbraw/zinc/78/40/73/572784073.db2.gz FOADYYCVQKJOTC-GFCCVEGCSA-N 0 0 192.258 2.778 10 0 AFAERN CCCC(=O)[C@@H](C)c1ccncc1 85665834 572784113 /nfs/dbraw/zinc/78/41/13/572784113.db2.gz ZAKMIARRLQBNBC-VIFPVBQESA-N 0 0 177.247 2.554 10 0 AFAERN C[C@H](C(=O)OC1CC1)c1ccsc1 308129817 572784197 /nfs/dbraw/zinc/78/41/97/572784197.db2.gz AERCNPIWDDCJHP-ZETCQYMHSA-N 0 0 196.271 2.557 10 0 AFAERN CC[C@@H](C)C(=O)Cc1ncccc1C 85667641 572784226 /nfs/dbraw/zinc/78/42/26/572784226.db2.gz DYLFQKPKBVGHJT-SECBINFHSA-N 0 0 191.274 2.548 10 0 AFAERN CCOc1ccc([C@H](C)[C@@H](C)O)cc1 85658867 572784247 /nfs/dbraw/zinc/78/42/47/572784247.db2.gz RMTSQHWGLFYYFR-NXEZZACHSA-N 0 0 194.274 2.570 10 0 AFAERN CSc1cc2ccncc2o1 141527178 572784248 /nfs/dbraw/zinc/78/42/48/572784248.db2.gz RRYBRKOQWUYVLS-UHFFFAOYSA-N 0 0 165.217 2.550 10 0 AFAERN Cc1cccc(N)c1Nc1cccnc1 238529902 572784269 /nfs/dbraw/zinc/78/42/69/572784269.db2.gz QOJAMNMKZHCWKK-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cn1ccc(-c2ccc3c(c2)NCC3)c1 238540837 572784314 /nfs/dbraw/zinc/78/43/14/572784314.db2.gz LYHCVRROXBCWNI-UHFFFAOYSA-N 0 0 198.269 2.660 10 0 AFAERN O[C@@H](CCCCF)[C@H]1C[C@@H]2C[C@@H]2C1 308128680 572784328 /nfs/dbraw/zinc/78/43/28/572784328.db2.gz CLXBACNGPQCBGJ-VLEAKVRGSA-N 0 0 186.270 2.533 10 0 AFAERN C[C@@H](C(=O)OC1CC1)c1ccsc1 308129816 572784400 /nfs/dbraw/zinc/78/44/00/572784400.db2.gz AERCNPIWDDCJHP-SSDOTTSWSA-N 0 0 196.271 2.557 10 0 AFAERN CCCCC(=O)Cc1ncccc1C 85667670 572784464 /nfs/dbraw/zinc/78/44/64/572784464.db2.gz NQVNIUDVMZBOPM-UHFFFAOYSA-N 0 0 191.274 2.692 10 0 AFAERN CCOc1ccc([C@@H](C)C(C)=O)cc1 85662503 572784509 /nfs/dbraw/zinc/78/45/09/572784509.db2.gz AEYFSZWFOLOBGE-VIFPVBQESA-N 0 0 192.258 2.778 10 0 AFAERN CC[C@H](C)C(=O)Cc1ncccc1C 85667644 572784672 /nfs/dbraw/zinc/78/46/72/572784672.db2.gz DYLFQKPKBVGHJT-VIFPVBQESA-N 0 0 191.274 2.548 10 0 AFAERN CCCCC(=O)[C@@H](C)c1ccccn1 85666647 572784716 /nfs/dbraw/zinc/78/47/16/572784716.db2.gz NMZIQXORFSTOQU-JTQLQIEISA-N 0 0 191.274 2.944 10 0 AFAERN CC(C)=C/C=C\Cl 307762923 572784730 /nfs/dbraw/zinc/78/47/30/572784730.db2.gz GSNXHBZGFVVLKW-HYXAFXHYSA-N 0 0 116.591 2.705 10 0 AFAERN CC[C@@H](C)C(=O)[C@@H](C)c1ccncc1 85665703 572784785 /nfs/dbraw/zinc/78/47/85/572784785.db2.gz XIOWQIUQIKAALL-ZJUUUORDSA-N 0 0 191.274 2.800 10 0 AFAERN CCOc1ccc([C@@H](C)[C@H](C)O)cc1 85658868 572784794 /nfs/dbraw/zinc/78/47/94/572784794.db2.gz RMTSQHWGLFYYFR-UWVGGRQHSA-N 0 0 194.274 2.570 10 0 AFAERN CCC[C@@H](c1ccccc1)[C@@H](C)O 85658788 572784816 /nfs/dbraw/zinc/78/48/16/572784816.db2.gz JFPPSRGZPMPNOL-ZYHUDNBSSA-N 0 0 178.275 2.951 10 0 AFAERN CCC[C@H](c1ccccc1)[C@H](C)O 85658793 572784830 /nfs/dbraw/zinc/78/48/30/572784830.db2.gz JFPPSRGZPMPNOL-JQWIXIFHSA-N 0 0 178.275 2.951 10 0 AFAERN CCCC[C@@H](O)[C@@H](C)c1ccccn1 85670360 572784849 /nfs/dbraw/zinc/78/48/49/572784849.db2.gz STYVHSKGKVIIBA-CMPLNLGQSA-N 0 0 193.290 2.736 10 0 AFAERN CC(C)=CCC/C=C\OCCCO 308120762 572784919 /nfs/dbraw/zinc/78/49/19/572784919.db2.gz HIBSBOWZMWYUPW-UITAMQMPSA-N 0 0 184.279 2.646 10 0 AFAERN Cc1cc(-c2ccccc2)cc(C=O)n1 238533376 572784992 /nfs/dbraw/zinc/78/49/92/572784992.db2.gz JNKUSXJGMIPGQC-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCC[C@@H](CCO)c1ccco1 308129244 572784994 /nfs/dbraw/zinc/78/49/94/572784994.db2.gz WSWFPTPQDPZODM-VIFPVBQESA-N 0 0 168.236 2.546 10 0 AFAERN Cn1nccc1-c1cccc2occc12 238552617 572785089 /nfs/dbraw/zinc/78/50/89/572785089.db2.gz XQZUJZKEKLDZLM-UHFFFAOYSA-N 0 0 198.225 2.833 10 0 AFAERN CC[C@@H](C)C(=O)[C@@H](C)c1ccccn1 85666617 572785104 /nfs/dbraw/zinc/78/51/04/572785104.db2.gz BPMRHCJUHFFJKB-ZJUUUORDSA-N 0 0 191.274 2.800 10 0 AFAERN CCCC(=O)[C@@H](C)c1ccccn1 85666713 572785112 /nfs/dbraw/zinc/78/51/12/572785112.db2.gz UGTBGFMTVVWKNL-VIFPVBQESA-N 0 0 177.247 2.554 10 0 AFAERN Cc1cccc2c(C3CC3)cc(=O)[nH]c12 238533124 572785175 /nfs/dbraw/zinc/78/51/75/572785175.db2.gz VZMSJKYLSAZLGL-UHFFFAOYSA-N 0 0 199.253 2.714 10 0 AFAERN CCCC[C@H](C)/C=C(/C)CO 307935698 572792474 /nfs/dbraw/zinc/79/24/74/572792474.db2.gz XYGJIXPWAXDFLG-CBFJXKFUSA-N 0 0 156.269 2.751 10 0 AFAERN CC1(CC[C@H](O)C2CC2)CCC1 308120605 572785414 /nfs/dbraw/zinc/78/54/14/572785414.db2.gz PIPSKZCAVSGOSH-JTQLQIEISA-N 0 0 168.280 2.728 10 0 AFAERN CC1=C(Cc2ccccc2)C[C@H](O)C1 141602451 572785423 /nfs/dbraw/zinc/78/54/23/572785423.db2.gz YVGTWOJRVBNWQJ-CYBMUJFWSA-N 0 0 188.270 2.700 10 0 AFAERN Cc1cccc2[nH]c3c(c12)CCCC3=O 238532278 572785439 /nfs/dbraw/zinc/78/54/39/572785439.db2.gz HUZZSJAJCCAKHG-UHFFFAOYSA-N 0 0 199.253 2.995 10 0 AFAERN Cc1ccc2c(F)cc(F)cc2n1 141583183 572785654 /nfs/dbraw/zinc/78/56/54/572785654.db2.gz FZFUMSZBFVGHLF-UHFFFAOYSA-N 0 0 179.169 2.821 10 0 AFAERN O=C1CCCC[C@@H]2CC=CC[C@H]12 196555851 572785784 /nfs/dbraw/zinc/78/57/84/572785784.db2.gz RCNVHRKQMLKECR-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@H](O)CCCSC(C)(C)C 196547641 572785960 /nfs/dbraw/zinc/78/59/60/572785960.db2.gz BELMYXQYGHJGJC-QMMMGPOBSA-N 0 0 176.325 2.679 10 0 AFAERN CC1=C(Cc2ccccc2)C[C@@H](O)C1 141602265 572786100 /nfs/dbraw/zinc/78/61/00/572786100.db2.gz YVGTWOJRVBNWQJ-ZDUSSCGKSA-N 0 0 188.270 2.700 10 0 AFAERN C[C@@H]1CCC[C@@H](C)CC(=O)C1 141592628 572786128 /nfs/dbraw/zinc/78/61/28/572786128.db2.gz HKDSKLVURHPEAP-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1ccnc2[nH]c3ccc(N)cc3c12 238547733 572786244 /nfs/dbraw/zinc/78/62/44/572786244.db2.gz VEEGNIDRYBEBDC-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN Cc1cc(-c2ccccc2)c(CO)cn1 238533248 572786305 /nfs/dbraw/zinc/78/63/05/572786305.db2.gz BVUFBOXZVVMASE-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN CC(=O)CC[C@@H]1CC=CCC1 196551997 572786349 /nfs/dbraw/zinc/78/63/49/572786349.db2.gz FRSAAIHRBCBCOB-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)OC(=O)/C=C\C1=CCCC1 308130939 572786384 /nfs/dbraw/zinc/78/63/84/572786384.db2.gz AUZQEGZERFOANW-FPLPWBNLSA-N 0 0 180.247 2.605 10 0 AFAERN CC(=O)CC[C@H]1CC=CCC1 196551988 572786507 /nfs/dbraw/zinc/78/65/07/572786507.db2.gz FRSAAIHRBCBCOB-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN Cc1cc(N)nc2cc(Cl)ccc12 196541992 572786558 /nfs/dbraw/zinc/78/65/58/572786558.db2.gz AVCMSDSMULWTAN-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCCCC[C@H](F)[C@@H](O)[C@H](C)F 308131561 572786657 /nfs/dbraw/zinc/78/66/57/572786657.db2.gz XVRWWJNWARTZTL-CIUDSAMLSA-N 0 0 180.238 2.624 10 0 AFAERN Cc1cccc2c1-n1c(C)ccc1C2=O 238532934 572786677 /nfs/dbraw/zinc/78/66/77/572786677.db2.gz ZCKCOUGEGXEUFA-UHFFFAOYSA-N 0 0 197.237 2.639 10 0 AFAERN Cc1nccc2c3c([nH]c12)CCCC3 196553276 572786717 /nfs/dbraw/zinc/78/67/17/572786717.db2.gz MWJGAHYGPWZFOI-UHFFFAOYSA-N 0 0 186.258 2.750 10 0 AFAERN O=C1CCCC[C@@H]2CC=CC[C@@H]12 196555841 572786729 /nfs/dbraw/zinc/78/67/29/572786729.db2.gz RCNVHRKQMLKECR-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN CSCCCNc1cccnc1C 85711945 572786770 /nfs/dbraw/zinc/78/67/70/572786770.db2.gz PESPVASDGGQLFA-UHFFFAOYSA-N 0 0 196.319 2.555 10 0 AFAERN Cc1ccnc2[nH]c3nccc(C)c3c12 238547770 572786872 /nfs/dbraw/zinc/78/68/72/572786872.db2.gz IEFZSBGWIOJLFT-UHFFFAOYSA-N 0 0 197.241 2.728 10 0 AFAERN Cc1ccc2c3cc[nH]c3c(=O)cc-2[nH]1 238547427 572786918 /nfs/dbraw/zinc/78/69/18/572786918.db2.gz LNFJLLUIVBBVGY-UHFFFAOYSA-N 0 0 198.225 2.730 10 0 AFAERN Cc1noc2cccc3ccc(O)c1c32 238532065 572787035 /nfs/dbraw/zinc/78/70/35/572787035.db2.gz ZWCDBGXTUHEHAM-UHFFFAOYSA-N 0 0 199.209 2.995 10 0 AFAERN Fc1cc2c(cc1Cl)NCCC2 141628602 572787250 /nfs/dbraw/zinc/78/72/50/572787250.db2.gz HVWVDMAYEJWHCQ-UHFFFAOYSA-N 0 0 185.629 2.837 10 0 AFAERN CC(C)C1(C(=O)OC2CCC2)CC1 308131363 572787292 /nfs/dbraw/zinc/78/72/92/572787292.db2.gz BCHOGLGMWSXFMG-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN Cc1ccnc(-c2cccc(C=O)c2)c1 238546763 572787310 /nfs/dbraw/zinc/78/73/10/572787310.db2.gz PEMYLGSCHFUTMM-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CC(=O)CCc1ccc2[nH]ccc2c1 141622955 572787476 /nfs/dbraw/zinc/78/74/76/572787476.db2.gz YVKPUOYGQLGLNV-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN C[C@H]1CCC[C@H](C)CC(=O)C1 141592434 572787501 /nfs/dbraw/zinc/78/75/01/572787501.db2.gz HKDSKLVURHPEAP-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](C(C)C)n1cnnc1Cl 71056490 572787953 /nfs/dbraw/zinc/78/79/53/572787953.db2.gz DNCHQIBGSYIWJL-ZETCQYMHSA-N 0 0 187.674 2.539 10 0 AFAERN FC1(F)C=CC=CC=CC=C1 307767338 572788150 /nfs/dbraw/zinc/78/81/50/572788150.db2.gz HVOAMHGWIUUJEV-UHFFFAOYSA-N 0 0 154.159 2.860 10 0 AFAERN Cc1c[nH]c2c1C(=O)CCC2(C)C 141640554 572788178 /nfs/dbraw/zinc/78/81/78/572788178.db2.gz NBFQBQCXVOYXFH-UHFFFAOYSA-N 0 0 177.247 2.577 10 0 AFAERN CC[C@H](C(C)C)n1cnnc1Cl 71056493 572788649 /nfs/dbraw/zinc/78/86/49/572788649.db2.gz DNCHQIBGSYIWJL-SSDOTTSWSA-N 0 0 187.674 2.539 10 0 AFAERN C=C/C=C\[C@H](C)CC/C=C/CO 307933112 572788616 /nfs/dbraw/zinc/78/86/16/572788616.db2.gz DJIWDICITMKZJR-JBRHMHJCSA-N 0 0 166.264 2.693 10 0 AFAERN c1csc(COc2cnsc2)c1 198580889 572788684 /nfs/dbraw/zinc/78/86/84/572788684.db2.gz IFQRMIMITYUZPD-UHFFFAOYSA-N 0 0 197.284 2.784 10 0 AFAERN CCCC[C@H]1CC[C@H](CO)CC1 307933081 572789066 /nfs/dbraw/zinc/78/90/66/572789066.db2.gz DEHXEFKZGADDMS-XYPYZODXSA-N 0 0 170.296 2.975 10 0 AFAERN CC(C)OC(=O)/C=C/C1=CCCC1 308130938 572789081 /nfs/dbraw/zinc/78/90/81/572789081.db2.gz AUZQEGZERFOANW-BQYQJAHWSA-N 0 0 180.247 2.605 10 0 AFAERN N/C(=C/c1ccncc1)c1ccccc1 238542452 572789084 /nfs/dbraw/zinc/78/90/84/572789084.db2.gz NTFVQENHRXQLSX-JLHYYAGUSA-N 0 0 196.253 2.538 10 0 AFAERN Cn1ccc(-c2cccc3c2NCC3)c1 238540942 572789360 /nfs/dbraw/zinc/78/93/60/572789360.db2.gz JWTHUAUMFLNFSB-UHFFFAOYSA-N 0 0 198.269 2.660 10 0 AFAERN Cc1ccc(-c2cc3nccn3[nH]2)cc1 238544752 572789696 /nfs/dbraw/zinc/78/96/96/572789696.db2.gz QQHGCBSDHRGGBV-UHFFFAOYSA-N 0 0 197.241 2.638 10 0 AFAERN CCOC(=O)/C(=C/[C@@H]1CC12CC2)CC 714326736 572789739 /nfs/dbraw/zinc/78/97/39/572789739.db2.gz FKJDBVCOALFRAJ-TTZKWOQHSA-N 0 0 194.274 2.686 10 0 AFAERN CCOC(=O)/C(=C/[C@H]1CC12CC2)CC 714326734 572789863 /nfs/dbraw/zinc/78/98/63/572789863.db2.gz FKJDBVCOALFRAJ-PCYYEKQGSA-N 0 0 194.274 2.686 10 0 AFAERN Cn1nccc1-c1cccc2ccoc12 238552596 572789967 /nfs/dbraw/zinc/78/99/67/572789967.db2.gz AKEUVMKZGDWXPF-UHFFFAOYSA-N 0 0 198.225 2.833 10 0 AFAERN C=C/C=C\[C@H](C)CC/C=C\CO 307933113 572790009 /nfs/dbraw/zinc/79/00/09/572790009.db2.gz DJIWDICITMKZJR-YYXGNQQCSA-N 0 0 166.264 2.693 10 0 AFAERN C=C/C=C/[C@H](C)CC/C=C\CO 307933111 572790037 /nfs/dbraw/zinc/79/00/37/572790037.db2.gz DJIWDICITMKZJR-BFMBEEPSSA-N 0 0 166.264 2.693 10 0 AFAERN CCOC(=O)/C(=C\[C@@H]1CC12CC2)CC 714326737 572790129 /nfs/dbraw/zinc/79/01/29/572790129.db2.gz FKJDBVCOALFRAJ-UJICNMFASA-N 0 0 194.274 2.686 10 0 AFAERN CC[C@@H](Sc1ccccc1)[C@@H](C)O 308127894 572790283 /nfs/dbraw/zinc/79/02/83/572790283.db2.gz CIYXDHQXVMPQEG-MWLCHTKSSA-N 0 0 196.315 2.938 10 0 AFAERN Cc1ccc2n1-c1ccc(C=O)cc1C2 238542324 572790360 /nfs/dbraw/zinc/79/03/60/572790360.db2.gz WQDBCYPUROVCPQ-UHFFFAOYSA-N 0 0 197.237 2.502 10 0 AFAERN C/C=C\[C@H](C)[C@@H](O)c1ccco1 308128014 572790453 /nfs/dbraw/zinc/79/04/53/572790453.db2.gz WBQMAUFTXIFWJL-RPHYXHOVSA-N 0 0 166.220 2.525 10 0 AFAERN CC/C=C/CCOC(=O)C1CCC1 308127583 572791406 /nfs/dbraw/zinc/79/14/06/572791406.db2.gz AAFVEBHCLXSWID-ONEGZZNKSA-N 0 0 182.263 2.686 10 0 AFAERN CCOC(=O)/C(=C\[C@H]1CC12CC2)CC 714326735 572790704 /nfs/dbraw/zinc/79/07/04/572790704.db2.gz FKJDBVCOALFRAJ-RNKPRXRFSA-N 0 0 194.274 2.686 10 0 AFAERN CC/C=C\CCOC(=O)C1CCC1 308127581 572790710 /nfs/dbraw/zinc/79/07/10/572790710.db2.gz AAFVEBHCLXSWID-ARJAWSKDSA-N 0 0 182.263 2.686 10 0 AFAERN Cn1ccc(-c2cccc3c2CCN3)c1 238540970 572790927 /nfs/dbraw/zinc/79/09/27/572790927.db2.gz AMEQPVYCWCHXQJ-UHFFFAOYSA-N 0 0 198.269 2.660 10 0 AFAERN OC[C@H]1CCCC=CCCCC1 307936179 572791892 /nfs/dbraw/zinc/79/18/92/572791892.db2.gz IFSKGCRVGCBJMY-NSHDSACASA-N 0 0 168.280 2.895 10 0 AFAERN CCC[C@H](O)/C=C(\C)[Si](C)(C)C 307935574 572792018 /nfs/dbraw/zinc/79/20/18/572792018.db2.gz LHBQASYNZNVACX-DDXVTDLHSA-N 0 0 186.371 2.971 10 0 AFAERN CCC[C@@H](O)/C=C(\C)[Si](C)(C)C 307935573 572792173 /nfs/dbraw/zinc/79/21/73/572792173.db2.gz LHBQASYNZNVACX-AAXQSMANSA-N 0 0 186.371 2.971 10 0 AFAERN CCC(=CC(=O)OC1CCC1)CC 308128438 572792367 /nfs/dbraw/zinc/79/23/67/572792367.db2.gz AQZGPXMYBJFFNK-UHFFFAOYSA-N 0 0 182.263 2.829 10 0 AFAERN COCOc1ccccc1C1(F)CC1 117876446 572792374 /nfs/dbraw/zinc/79/23/74/572792374.db2.gz FSSABXKKBOOHOL-UHFFFAOYSA-N 0 0 196.221 2.628 10 0 AFAERN C/C=C(/C)[C@@H](O)/C=C/C(C)=C/C 307935540 572792720 /nfs/dbraw/zinc/79/27/20/572792720.db2.gz LANOVKBLGAAQPP-LHOARUAQSA-N 0 0 166.264 2.836 10 0 AFAERN C=C/C=C/CCSC(C)(C)CO 713756796 572792743 /nfs/dbraw/zinc/79/27/43/572792743.db2.gz BVFJMWHHGZKPPE-AATRIKPKSA-N 0 0 186.320 2.623 10 0 AFAERN C/C=C\[C@@H](C)c1ccc(OC)cc1N 211337701 572793106 /nfs/dbraw/zinc/79/31/06/572793106.db2.gz MYSXDMXJOIONEL-XRVBUDJMSA-N 0 0 191.274 2.957 10 0 AFAERN CCC/C=C(\C)[C@H](O)C(C)C 307933616 572793725 /nfs/dbraw/zinc/79/37/25/572793725.db2.gz WRCJSZJGKQJZPA-TTZKWOQHSA-N 0 0 156.269 2.750 10 0 AFAERN CCCC[C@H](C)/C=C(\C)CO 307935701 572792983 /nfs/dbraw/zinc/79/29/83/572792983.db2.gz XYGJIXPWAXDFLG-HZAKCSEPSA-N 0 0 156.269 2.751 10 0 AFAERN CCCC[C@@H](C)/C=C(/C)CO 307935706 572793018 /nfs/dbraw/zinc/79/30/18/572793018.db2.gz XYGJIXPWAXDFLG-SBMLRHLQSA-N 0 0 156.269 2.751 10 0 AFAERN Nc1cc(Cc2ccccc2)cs1 257563630 572793076 /nfs/dbraw/zinc/79/30/76/572793076.db2.gz IWUMKJDEICVUOM-UHFFFAOYSA-N 0 0 189.283 2.921 10 0 AFAERN CCCC[C@@H](C)/C=C(\C)CO 307935710 572793226 /nfs/dbraw/zinc/79/32/26/572793226.db2.gz XYGJIXPWAXDFLG-YIXGCBLDSA-N 0 0 156.269 2.751 10 0 AFAERN Cc1ccc(C(C=O)=CN)cc1 307933558 572793265 /nfs/dbraw/zinc/79/32/65/572793265.db2.gz HCJGKWALUKXXSN-VIUFBZDKSA-N 0 0 161.204 2.543 10 0 AFAERN CC[C@@H](C)C[C@@H](C)/C=C(/C)CO 307934263 572793299 /nfs/dbraw/zinc/79/32/99/572793299.db2.gz FQINGVLYTQYBLJ-RSOYDTTOSA-N 0 0 170.296 2.997 10 0 AFAERN Cc1cc(Cc2coc(N)c2)c(C)o1 257564299 572793406 /nfs/dbraw/zinc/79/34/06/572793406.db2.gz FXSKBMLZPBBKHF-UHFFFAOYSA-N 0 0 191.230 2.662 10 0 AFAERN CC(C)(C)Cc1ccc(N)s1 257564040 572793433 /nfs/dbraw/zinc/79/34/33/572793433.db2.gz UXNWPVKOCKXSAI-UHFFFAOYSA-N 0 0 169.293 2.919 10 0 AFAERN CCCCCNN1[C@@H](C)CCC[C@@H]1C 213997832 572793441 /nfs/dbraw/zinc/79/34/41/572793441.db2.gz WQDZVXOBEKOIQT-RYUDHWBXSA-N 0 0 198.354 2.944 10 0 AFAERN Nc1ccc(Cc2ccc(F)cc2)o1 257564413 572793602 /nfs/dbraw/zinc/79/36/02/572793602.db2.gz JDUAGKBOJRWYGU-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN Cc1cc(Cc2ccc(N)o2)c(C)o1 257564606 572793620 /nfs/dbraw/zinc/79/36/20/572793620.db2.gz MHCHEFGGUKBVKF-UHFFFAOYSA-N 0 0 191.230 2.662 10 0 AFAERN Cc1c(Cl)cccc1/C=C\CO 307935135 572793655 /nfs/dbraw/zinc/79/36/55/572793655.db2.gz JTQKKWXKDAMZQS-HYXAFXHYSA-N 0 0 182.650 2.654 10 0 AFAERN Nc1cc(Cc2cccs2)cs1 257563685 572793713 /nfs/dbraw/zinc/79/37/13/572793713.db2.gz LZXOVQAKSXAZGQ-UHFFFAOYSA-N 0 0 195.312 2.983 10 0 AFAERN OC[C@@H]1CCCC=CCCCC1 307936177 572793745 /nfs/dbraw/zinc/79/37/45/572793745.db2.gz IFSKGCRVGCBJMY-LLVKDONJSA-N 0 0 168.280 2.895 10 0 AFAERN CCCCCNN1[C@@H](C)CCC[C@H]1C 213997764 572794208 /nfs/dbraw/zinc/79/42/08/572794208.db2.gz WQDZVXOBEKOIQT-TXEJJXNPSA-N 0 0 198.354 2.944 10 0 AFAERN Nc1cc(Cc2ccco2)cs1 257563688 572794263 /nfs/dbraw/zinc/79/42/63/572794263.db2.gz MBRHVSQSSFWBSA-UHFFFAOYSA-N 0 0 179.244 2.514 10 0 AFAERN Nc1ccc(-c2cccs2)o1 257564326 572794331 /nfs/dbraw/zinc/79/43/31/572794331.db2.gz GVJFFMBRBNOTTG-UHFFFAOYSA-N 0 0 165.217 2.590 10 0 AFAERN CC[C@@H](C)C[C@@H](C)/C=C(\C)CO 307934262 572794335 /nfs/dbraw/zinc/79/43/35/572794335.db2.gz FQINGVLYTQYBLJ-NLGIKVKISA-N 0 0 170.296 2.997 10 0 AFAERN Nc1ccc(Cc2cccc(F)c2)o1 257564239 572794359 /nfs/dbraw/zinc/79/43/59/572794359.db2.gz DGLYETWVLLDILX-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN C/C=C(C)/C=C\[C@H](O)/C(C)=C/C 307935538 572794522 /nfs/dbraw/zinc/79/45/22/572794522.db2.gz LANOVKBLGAAQPP-GBQGYZNBSA-N 0 0 166.264 2.836 10 0 AFAERN Cc1ccccc1Cc1ccoc1N 257563904 572794639 /nfs/dbraw/zinc/79/46/39/572794639.db2.gz ANGZKSRJPOZYGS-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN Nc1occc1Cc1ccc(F)cc1 257564384 572794742 /nfs/dbraw/zinc/79/47/42/572794742.db2.gz IOUCLMLXKOPIJH-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN C/C=C\C[C@]1(C)CCCC[C@@H]1O 307936094 572794745 /nfs/dbraw/zinc/79/47/45/572794745.db2.gz MKJRODAGGAWWOF-CBZSPVTBSA-N 0 0 168.280 2.894 10 0 AFAERN Nc1ccc(CCc2ccco2)s1 257563681 572794798 /nfs/dbraw/zinc/79/47/98/572794798.db2.gz LYFJTPJYWHPURQ-UHFFFAOYSA-N 0 0 193.271 2.709 10 0 AFAERN Cc1ccc(Cc2ccc(N)o2)cc1 257563962 572794855 /nfs/dbraw/zinc/79/48/55/572794855.db2.gz CGTQHBTWHKHAEI-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN Nc1ccc(Cc2cccs2)o1 257564586 572794935 /nfs/dbraw/zinc/79/49/35/572794935.db2.gz LSERFDYCLAJVHA-UHFFFAOYSA-N 0 0 179.244 2.514 10 0 AFAERN Nc1ccc(-c2ccc(Cl)o2)o1 257564614 572794990 /nfs/dbraw/zinc/79/49/90/572794990.db2.gz MNITZVOZTPJHKG-UHFFFAOYSA-N 0 0 183.594 2.775 10 0 AFAERN Nc1sccc1CCc1ccco1 257564177 572795468 /nfs/dbraw/zinc/79/54/68/572795468.db2.gz YYTFZGWDIXJSTD-UHFFFAOYSA-N 0 0 193.271 2.709 10 0 AFAERN Cc1ccccc1Cc1coc(N)c1 257563894 572795560 /nfs/dbraw/zinc/79/55/60/572795560.db2.gz ACEDAZBJHPKTEK-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN Cc1cccc(Cc2ccc(N)o2)c1 257563930 572795568 /nfs/dbraw/zinc/79/55/68/572795568.db2.gz BETQRVRGWNJJJI-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN Nc1occc1Cc1cccs1 257564396 572795601 /nfs/dbraw/zinc/79/56/01/572795601.db2.gz IVBAKJPWVMFGMG-UHFFFAOYSA-N 0 0 179.244 2.514 10 0 AFAERN Nc1ccc(Cc2ccco2)s1 257563505 572795790 /nfs/dbraw/zinc/79/57/90/572795790.db2.gz GEFWWMKHDLTKIT-UHFFFAOYSA-N 0 0 179.244 2.514 10 0 AFAERN Nc1sccc1Cc1ccco1 257563817 572795845 /nfs/dbraw/zinc/79/58/45/572795845.db2.gz OLOCZZYNIGTZSN-UHFFFAOYSA-N 0 0 179.244 2.514 10 0 AFAERN Nc1ccc(CCc2cccs2)o1 257563915 572795949 /nfs/dbraw/zinc/79/59/49/572795949.db2.gz ATQREEMXHVFEQU-UHFFFAOYSA-N 0 0 193.271 2.709 10 0 AFAERN Nc1sccc1Cc1cccs1 257564034 572795967 /nfs/dbraw/zinc/79/59/67/572795967.db2.gz UQWAJPRRYMIBFD-UHFFFAOYSA-N 0 0 195.312 2.983 10 0 AFAERN CCCCC/C=C\[C@@H](O)CC 141660915 572796002 /nfs/dbraw/zinc/79/60/02/572796002.db2.gz SAKXXTFUGXDVPG-QROTZFDESA-N 0 0 156.269 2.894 10 0 AFAERN Nc1cc(CC2CCCCC2)co1 257564424 572796152 /nfs/dbraw/zinc/79/61/52/572796152.db2.gz JJDUHXWCHNHRDF-UHFFFAOYSA-N 0 0 179.263 2.985 10 0 AFAERN CC(C)Cc1ccc(N)s1 257564168 572796231 /nfs/dbraw/zinc/79/62/31/572796231.db2.gz YRPFATMWERYNRV-UHFFFAOYSA-N 0 0 155.266 2.529 10 0 AFAERN C[C@H](O)/C=C\C1=CCCCCC1 307940674 572796308 /nfs/dbraw/zinc/79/63/08/572796308.db2.gz MXYYTFMWZOYSKJ-QROTZFDESA-N 0 0 166.264 2.814 10 0 AFAERN CC(C)C(=O)CCCCCF 307936674 572796322 /nfs/dbraw/zinc/79/63/22/572796322.db2.gz YNOITVYFLWFWFU-UHFFFAOYSA-N 0 0 160.232 2.741 10 0 AFAERN Cc1ccc(C)c(SO)c1 117843535 572796378 /nfs/dbraw/zinc/79/63/78/572796378.db2.gz TWTOOJVEOXZXTI-UHFFFAOYSA-N 0 0 154.234 2.869 10 0 AFAERN COc1cc(O)cc(C(C)C)c1 141660412 572796419 /nfs/dbraw/zinc/79/64/19/572796419.db2.gz CRQVRVXGJJHXPI-UHFFFAOYSA-N 0 0 166.220 2.524 10 0 AFAERN CC(C)[C@H](O)C/C=C\C(C)(C)C 307936740 572796457 /nfs/dbraw/zinc/79/64/57/572796457.db2.gz JCPSPZUVALJHHQ-BJPMOSCESA-N 0 0 170.296 2.996 10 0 AFAERN CC[C@H](C)C(=O)c1cccc(O)c1 141686377 572796477 /nfs/dbraw/zinc/79/64/77/572796477.db2.gz PRCKKHPEAVQJAJ-QMMMGPOBSA-N 0 0 178.231 2.621 10 0 AFAERN Cn1nccc1-c1ccc2occc2c1 238552784 572796486 /nfs/dbraw/zinc/79/64/86/572796486.db2.gz CNHUJRLHIVJZMA-UHFFFAOYSA-N 0 0 198.225 2.833 10 0 AFAERN COc1c(N)cc(C)c(C)c1Cl 75067888 572797455 /nfs/dbraw/zinc/79/74/55/572797455.db2.gz BYPYITXBWFCLHC-UHFFFAOYSA-N 0 0 185.654 2.548 10 0 AFAERN CCOC(=O)/C(C)=C/C(CC)CC 141695973 572796661 /nfs/dbraw/zinc/79/66/61/572796661.db2.gz FYWLFPWLTKMOTP-CMDGGOBGSA-N 0 0 184.279 2.932 10 0 AFAERN CC[C@@H](C)C(=O)c1cccc(O)c1 141686188 572796705 /nfs/dbraw/zinc/79/67/05/572796705.db2.gz PRCKKHPEAVQJAJ-MRVPVSSYSA-N 0 0 178.231 2.621 10 0 AFAERN CCc1cccc2c1N[C@H](OC)[C@@H]2C 71129749 572796945 /nfs/dbraw/zinc/79/69/45/572796945.db2.gz LNLZPMJJPKIQMN-PRHODGIISA-N 0 0 191.274 2.751 10 0 AFAERN COC(=O)Nc1cc2ccccc2o1 141659784 572796980 /nfs/dbraw/zinc/79/69/80/572796980.db2.gz LHLAVHHMCGZUCA-UHFFFAOYSA-N 0 0 191.186 2.611 10 0 AFAERN C=CC1=C(C)[C@@H](O)CCC1(C)C 141676903 572797060 /nfs/dbraw/zinc/79/70/60/572797060.db2.gz YHJHVPJJBQAHFZ-JTQLQIEISA-N 0 0 166.264 2.670 10 0 AFAERN C[C@H](c1ccccc1Cl)N(C)O 75067899 572797287 /nfs/dbraw/zinc/79/72/87/572797287.db2.gz OIIIWZGRUYAKNU-SSDOTTSWSA-N 0 0 185.654 2.722 10 0 AFAERN Nc1ccc(-c2ccc(Cl)o2)[nH]1 257564885 572797298 /nfs/dbraw/zinc/79/72/98/572797298.db2.gz RJXDMFDRBLSXSR-UHFFFAOYSA-N 0 0 182.610 2.510 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@]1(O)C(F)(F)F 235341349 572797344 /nfs/dbraw/zinc/79/73/44/572797344.db2.gz PVFYVPCUZYBZSJ-HTRCEHHLSA-N 0 0 196.212 2.736 10 0 AFAERN Nc1cc2cccc(Cl)c2o1 75067623 572797473 /nfs/dbraw/zinc/79/74/73/572797473.db2.gz OCIWIBJJUGNLJY-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN CC(C)[C@]1(C)C(=O)Nc2ccccc21 141693070 572797539 /nfs/dbraw/zinc/79/75/39/572797539.db2.gz UXFGQRWIYHQTFJ-LBPRGKRZSA-N 0 0 189.258 2.552 10 0 AFAERN C=Cc1c(C)c(O)c(C)c(C)c1O 141687759 572797625 /nfs/dbraw/zinc/79/76/25/572797625.db2.gz XSKIOVHTXNSGAJ-UHFFFAOYSA-N 0 0 178.231 2.666 10 0 AFAERN Nc1cc(Cc2ccc(F)cc2)co1 257564725 572797628 /nfs/dbraw/zinc/79/76/28/572797628.db2.gz PTVYPIVIRATHRJ-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN CCCc1ccc2c(c1)CC(=S)N2 141670384 572797672 /nfs/dbraw/zinc/79/76/72/572797672.db2.gz LIKZTKKCQSBPLE-UHFFFAOYSA-N 0 0 191.299 2.935 10 0 AFAERN Nc1ccc(-c2ccc(Cl)[nH]2)o1 257564653 572797730 /nfs/dbraw/zinc/79/77/30/572797730.db2.gz NPPBBXQVIJQZCM-UHFFFAOYSA-N 0 0 182.610 2.510 10 0 AFAERN Cc1cc2c(Cl)c(N)ccc2[nH]1 75067758 572797834 /nfs/dbraw/zinc/79/78/34/572797834.db2.gz DBCFOJZYVNRPBW-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN Nc1coc2ccc(Cl)cc12 75067620 572797855 /nfs/dbraw/zinc/79/78/55/572797855.db2.gz FDPBMAHNZGWDTB-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN CCc1cccc2c1N[C@@H](OC)[C@H]2C 71129756 572797875 /nfs/dbraw/zinc/79/78/75/572797875.db2.gz LNLZPMJJPKIQMN-UFBFGSQYSA-N 0 0 191.274 2.751 10 0 AFAERN Nc1cc(Cc2ccccc2F)co1 257564693 572797879 /nfs/dbraw/zinc/79/78/79/572797879.db2.gz OZCLOPHWRQJLGU-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN CC(C)[C@@H](O)C/C=C\C(C)(C)C 307936741 572797913 /nfs/dbraw/zinc/79/79/13/572797913.db2.gz JCPSPZUVALJHHQ-ZEBCKKTISA-N 0 0 170.296 2.996 10 0 AFAERN Nc1occc1CCc1cccs1 257564977 572797921 /nfs/dbraw/zinc/79/79/21/572797921.db2.gz VCVCMVUVROEQFV-UHFFFAOYSA-N 0 0 193.271 2.709 10 0 AFAERN C/C(=C/C/C=C\CO)[Si](C)(C)C 307937528 572799376 /nfs/dbraw/zinc/79/93/76/572799376.db2.gz JVTYCQKIWQZMDH-RRMOSLQNSA-N 0 0 184.355 2.749 10 0 AFAERN Cc1ccccc1Cc1ccc(N)o1 257565036 572798265 /nfs/dbraw/zinc/79/82/65/572798265.db2.gz XARJYGDWISJPHD-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN Nc1ccc(CC2CCCCC2)[nH]1 257566475 572798271 /nfs/dbraw/zinc/79/82/71/572798271.db2.gz CHJDKVAQGUVLJN-UHFFFAOYSA-N 0 0 178.279 2.720 10 0 AFAERN Nc1occc1CC1CCCC1 257564874 572798292 /nfs/dbraw/zinc/79/82/92/572798292.db2.gz RFJQTQXVEANWJU-UHFFFAOYSA-N 0 0 165.236 2.595 10 0 AFAERN Cc1cc(Cc2ccoc2N)c(C)o1 257564972 572798298 /nfs/dbraw/zinc/79/82/98/572798298.db2.gz VASWMVOTONKNBB-UHFFFAOYSA-N 0 0 191.230 2.662 10 0 AFAERN CCCc1ccc(C=O)c(F)c1 141692076 572798304 /nfs/dbraw/zinc/79/83/04/572798304.db2.gz KEXQUAYBTFVGMV-UHFFFAOYSA-N 0 0 166.195 2.591 10 0 AFAERN Nc1cc(Cc2cccs2)co1 257564984 572798323 /nfs/dbraw/zinc/79/83/23/572798323.db2.gz VJAPIZJBNLABLQ-UHFFFAOYSA-N 0 0 179.244 2.514 10 0 AFAERN Nc1occc1Cc1ccccc1F 257564993 572798342 /nfs/dbraw/zinc/79/83/42/572798342.db2.gz VMNQFGWMKPETNS-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN CC(C)[C@@]1(C)C(=O)Nc2ccccc21 141692892 572798415 /nfs/dbraw/zinc/79/84/15/572798415.db2.gz UXFGQRWIYHQTFJ-GFCCVEGCSA-N 0 0 189.258 2.552 10 0 AFAERN Nc1cc(CCc2cccs2)co1 257565213 572798423 /nfs/dbraw/zinc/79/84/23/572798423.db2.gz ZWEHTVZZUWQTJN-UHFFFAOYSA-N 0 0 193.271 2.709 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@]1(O)C1CCC1 235341987 572798442 /nfs/dbraw/zinc/79/84/42/572798442.db2.gz RVCYAJZSULKXJT-BXKDBHETSA-N 0 0 182.307 2.974 10 0 AFAERN CCC(=O)Cc1ccc(C)c(C)c1 49669252 572798599 /nfs/dbraw/zinc/79/85/99/572798599.db2.gz NOQOJWZQHIULMT-UHFFFAOYSA-N 0 0 176.259 2.825 10 0 AFAERN OC1(CCCc2ccccc2)CCC1 85754431 572798611 /nfs/dbraw/zinc/79/86/11/572798611.db2.gz GUZVTZODJAETCY-UHFFFAOYSA-N 0 0 190.286 2.924 10 0 AFAERN Nc1occc1CC1CCCCC1 257564959 572798618 /nfs/dbraw/zinc/79/86/18/572798618.db2.gz USYAHFZDPAAHIV-UHFFFAOYSA-N 0 0 179.263 2.985 10 0 AFAERN Cc1cc(Cl)cc2c(N)c[nH]c12 75067757 572798737 /nfs/dbraw/zinc/79/87/37/572798737.db2.gz CWLXXHPRAUIHKL-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN Cc1cc(CCC[C@H](C)O)cs1 308132331 572798762 /nfs/dbraw/zinc/79/87/62/572798762.db2.gz YFVORMIRXVUGFP-QMMMGPOBSA-N 0 0 184.304 2.760 10 0 AFAERN Cc1ccc(C[C@H](O)C2CC2)cc1C 49669353 572800374 /nfs/dbraw/zinc/80/03/74/572800374.db2.gz APAAUSUXDLMKQM-ZDUSSCGKSA-N 0 0 190.286 2.617 10 0 AFAERN Cn1c(N)ccc1-c1ccc(Cl)o1 257565024 572800375 /nfs/dbraw/zinc/80/03/75/572800375.db2.gz WNUJZIVXCXIPTD-UHFFFAOYSA-N 0 0 196.637 2.521 10 0 AFAERN Cc1ccc(Cc2coc(N)c2)cc1 257564688 572798897 /nfs/dbraw/zinc/79/88/97/572798897.db2.gz OVIJSKCNWKEDRK-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN Cc1ccc(Cc2ccoc2N)cc1 257565159 572799002 /nfs/dbraw/zinc/79/90/02/572799002.db2.gz XRGLXFDLSYQPSD-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN C[C@H](O)C/C=C\C1CCCCC1 307939559 572799112 /nfs/dbraw/zinc/79/91/12/572799112.db2.gz LZVRDIRYEWDPSW-BSKOKIOFSA-N 0 0 168.280 2.894 10 0 AFAERN CCc1cccc2c1N[C@@H](OC)[C@@H]2C 71129752 572799123 /nfs/dbraw/zinc/79/91/23/572799123.db2.gz LNLZPMJJPKIQMN-PELKAZGASA-N 0 0 191.274 2.751 10 0 AFAERN O=C1CCCC[C@@H]1CCCCF 118093877 572799201 /nfs/dbraw/zinc/79/92/01/572799201.db2.gz CHUVIMQHVHLORG-SECBINFHSA-N 0 0 172.243 2.886 10 0 AFAERN Nc1cc2cc(Cl)ccc2o1 75067622 572799227 /nfs/dbraw/zinc/79/92/27/572799227.db2.gz CVUOUWOUOAYBNN-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN CCCCC[C@@H]1CCC[C@@H]1CO 198676261 572799230 /nfs/dbraw/zinc/79/92/30/572799230.db2.gz UNGCJKTVTSDZOE-GHMZBOCLSA-N 0 0 170.296 2.975 10 0 AFAERN Nc1occc1Cc1cccc(F)c1 257565216 572799235 /nfs/dbraw/zinc/79/92/35/572799235.db2.gz ZXMBRSXFWIQEDB-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN Nc1ccc(Cc2ccccc2F)o1 257564857 572799247 /nfs/dbraw/zinc/79/92/47/572799247.db2.gz QSFAXJUQDYHLON-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN CCCC[C@H](O)[C@@H](F)CCC 307938247 572799274 /nfs/dbraw/zinc/79/92/74/572799274.db2.gz ZPAOEYXQLPISBN-IUCAKERBSA-N 0 0 162.248 2.676 10 0 AFAERN O=C1CCCC[C@H]1CCCCF 118093876 572799562 /nfs/dbraw/zinc/79/95/62/572799562.db2.gz CHUVIMQHVHLORG-VIFPVBQESA-N 0 0 172.243 2.886 10 0 AFAERN Cc1[nH]c2cccc(Cl)c2c1N 75067756 572799576 /nfs/dbraw/zinc/79/95/76/572799576.db2.gz PNYBCJCRXJHBKB-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN C[C@H]1C=C[C@H](CO)CC=CCC1 307938107 572799685 /nfs/dbraw/zinc/79/96/85/572799685.db2.gz QHRMRKKKYNOOHL-GHMZBOCLSA-N 0 0 166.264 2.527 10 0 AFAERN Nc1cc(Cc2cccc(F)c2)co1 257564920 572799691 /nfs/dbraw/zinc/79/96/91/572799691.db2.gz SLWVNQCCUZIESA-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN C[C@H]1C=C[C@@H](CO)CC=CCC1 307938108 572799692 /nfs/dbraw/zinc/79/96/92/572799692.db2.gz QHRMRKKKYNOOHL-MNOVXSKESA-N 0 0 166.264 2.527 10 0 AFAERN Nc1coc2c(Cl)cccc12 75067621 572799849 /nfs/dbraw/zinc/79/98/49/572799849.db2.gz JORWSVICVSTCKU-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN Cc1ccc(CC(=O)C2CC2)cc1C 49669255 572799885 /nfs/dbraw/zinc/79/98/85/572799885.db2.gz ZWJAEXSZLKPRPF-UHFFFAOYSA-N 0 0 188.270 2.825 10 0 AFAERN CC[C@H]1[C@@H]2CCc3cccc(c32)[C@@H]1O 714332074 572799895 /nfs/dbraw/zinc/79/98/95/572799895.db2.gz GLKOZQCPJIICJW-OUJBWJOFSA-N 0 0 188.270 2.790 10 0 AFAERN C/C=C(/C)C[C@H](C)C[C@H](C)CO 307937699 572799907 /nfs/dbraw/zinc/79/99/07/572799907.db2.gz PNPKQYCDHWLJKO-ZUBHOKJJSA-N 0 0 170.296 2.997 10 0 AFAERN CCc1cccc2c1N[C@H](OC)[C@H]2C 71129755 572799908 /nfs/dbraw/zinc/79/99/08/572799908.db2.gz LNLZPMJJPKIQMN-QPUJVOFHSA-N 0 0 191.274 2.751 10 0 AFAERN C/C=C\CSc1nc(C)c(C)o1 307939222 572800050 /nfs/dbraw/zinc/80/00/50/572800050.db2.gz AUDINBXPIVGSEA-PLNGDYQASA-N 0 0 183.276 2.960 10 0 AFAERN CCC[C@H]1CC[C@@H](CCC)[C@@H]1O 307938817 572800096 /nfs/dbraw/zinc/80/00/96/572800096.db2.gz RVEBNWVNTDEDCI-URLYPYJESA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H](c1ccccc1Cl)N(C)O 75067898 572800153 /nfs/dbraw/zinc/80/01/53/572800153.db2.gz OIIIWZGRUYAKNU-ZETCQYMHSA-N 0 0 185.654 2.722 10 0 AFAERN CC[C@@H]1[C@H](O)c2cccc3c2[C@H]1CC3 714332072 572801228 /nfs/dbraw/zinc/80/12/28/572801228.db2.gz GLKOZQCPJIICJW-KWBADKCTSA-N 0 0 188.270 2.790 10 0 AFAERN CCCC[C@H](O)[C@H](F)CCC 307938242 572800290 /nfs/dbraw/zinc/80/02/90/572800290.db2.gz ZPAOEYXQLPISBN-BDAKNGLRSA-N 0 0 162.248 2.676 10 0 AFAERN Cc1cccc(Cc2ccoc2N)c1 257565008 572800350 /nfs/dbraw/zinc/80/03/50/572800350.db2.gz VYXLYNABCGUDPH-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN CCCc1oc(N)cc1N(CC)CC 257569103 572800356 /nfs/dbraw/zinc/80/03/56/572800356.db2.gz LJBBVUFHARLAAR-UHFFFAOYSA-N 0 0 196.294 2.661 10 0 AFAERN Nc1ccc(CC2CCCCC2)o1 257564668 572800386 /nfs/dbraw/zinc/80/03/86/572800386.db2.gz OFXZTWOEOKUPRT-UHFFFAOYSA-N 0 0 179.263 2.985 10 0 AFAERN C/C=C1/CCC[C@@H]1[C@H](O)CC 307938472 572800400 /nfs/dbraw/zinc/80/04/00/572800400.db2.gz ZXDUHCNINZTXIH-NRCMDQDQSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cc(CCC[C@@H](C)O)cs1 308132330 572800444 /nfs/dbraw/zinc/80/04/44/572800444.db2.gz YFVORMIRXVUGFP-MRVPVSSYSA-N 0 0 184.304 2.760 10 0 AFAERN CCCCCCC1(O)CCC1 85754381 572800469 /nfs/dbraw/zinc/80/04/69/572800469.db2.gz IFMZDFRMLJIKQO-UHFFFAOYSA-N 0 0 156.269 2.872 10 0 AFAERN Nc1cc(CC2CCCC2)co1 257565138 572800551 /nfs/dbraw/zinc/80/05/51/572800551.db2.gz XCIJGQXDELAZPI-UHFFFAOYSA-N 0 0 165.236 2.595 10 0 AFAERN OC1(c2cncc3ccccc23)CCC1 85754318 572800611 /nfs/dbraw/zinc/80/06/11/572800611.db2.gz STLYJJCEDBARGH-UHFFFAOYSA-N 0 0 199.253 2.606 10 0 AFAERN C/C(=C\C/C=C/CO)[Si](C)(C)C 307937526 572800617 /nfs/dbraw/zinc/80/06/17/572800617.db2.gz JVTYCQKIWQZMDH-RMTFUQJTSA-N 0 0 184.355 2.749 10 0 AFAERN CC(C)=CC[C@@H](F)/C(C)=C\CO 307937516 572800729 /nfs/dbraw/zinc/80/07/29/572800729.db2.gz JTXZHXGXTAFGKO-ABRRARGCSA-N 0 0 172.243 2.619 10 0 AFAERN C/C=C1/CCC[C@@H]1[C@@H](O)CC 307938479 572800790 /nfs/dbraw/zinc/80/07/90/572800790.db2.gz ZXDUHCNINZTXIH-QDJRAUDGSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)/C=C(\CC(C)C)[C@H](C)O 307938754 572800846 /nfs/dbraw/zinc/80/08/46/572800846.db2.gz RIZOKRIJUBYKHT-OTXQMUPVSA-N 0 0 170.296 2.996 10 0 AFAERN C/C(=C\C/C=C\CO)[Si](C)(C)C 307937531 572800933 /nfs/dbraw/zinc/80/09/33/572800933.db2.gz JVTYCQKIWQZMDH-SUTBWYPISA-N 0 0 184.355 2.749 10 0 AFAERN CC(C)/C=C(\CC(C)C)[C@@H](C)O 307938756 572800969 /nfs/dbraw/zinc/80/09/69/572800969.db2.gz RIZOKRIJUBYKHT-VUUNSECVSA-N 0 0 170.296 2.996 10 0 AFAERN Cc1c[nH]c2c(Cl)cc(N)cc12 75067759 572800971 /nfs/dbraw/zinc/80/09/71/572800971.db2.gz CFNJLLDWQGBVFU-UHFFFAOYSA-N 0 0 180.638 2.712 10 0 AFAERN Cc1cccc(Cc2cc(N)co2)c1 257566620 572801034 /nfs/dbraw/zinc/80/10/34/572801034.db2.gz FVLHPEQXKFEZPC-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN CCCC(=O)OC1CC(C)(C)C1 307938478 572801162 /nfs/dbraw/zinc/80/11/62/572801162.db2.gz AHQGAIMUEDOGKL-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN Nc1coc(CCc2cccs2)c1 257566624 572802702 /nfs/dbraw/zinc/80/27/02/572802702.db2.gz FXXNTMXBWYMKPL-UHFFFAOYSA-N 0 0 193.271 2.709 10 0 AFAERN CCC[C@H]1CC[C@@H](CCC)[C@H]1O 307938816 572801265 /nfs/dbraw/zinc/80/12/65/572801265.db2.gz RVEBNWVNTDEDCI-JGPRNRPPSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(N)sc1N1CCCCC1 257569239 572801341 /nfs/dbraw/zinc/80/13/41/572801341.db2.gz MNBOITWXIAPCLV-UHFFFAOYSA-N 0 0 196.319 2.629 10 0 AFAERN CC(C)=CC[C@H](F)/C(C)=C\CO 307937518 572801351 /nfs/dbraw/zinc/80/13/51/572801351.db2.gz JTXZHXGXTAFGKO-MBACFSSFSA-N 0 0 172.243 2.619 10 0 AFAERN CCOC(=N)c1cc(C)sc1C 49685578 572801352 /nfs/dbraw/zinc/80/13/52/572801352.db2.gz AIHJUSPMXUHTMN-UHFFFAOYSA-N 0 0 183.276 2.727 10 0 AFAERN CSc1cc(N)oc1CC(C)C 257566730 572801459 /nfs/dbraw/zinc/80/14/59/572801459.db2.gz IOYKZTVHWXEWIB-UHFFFAOYSA-N 0 0 185.292 2.782 10 0 AFAERN CC[C@@H]1[C@@H](O)c2cccc3c2[C@@H]1CC3 714332073 572801520 /nfs/dbraw/zinc/80/15/20/572801520.db2.gz GLKOZQCPJIICJW-OPQQBVKSSA-N 0 0 188.270 2.790 10 0 AFAERN CSc1cc(CC(C)C)c(N)n1C 257570187 572801561 /nfs/dbraw/zinc/80/15/61/572801561.db2.gz BUBUBXLUDXPSPQ-UHFFFAOYSA-N 0 0 198.335 2.528 10 0 AFAERN Nc1cc2c(s1)-c1ccccc1C2 257567216 572802724 /nfs/dbraw/zinc/80/27/24/572802724.db2.gz SOLUPLQDGSYECJ-UHFFFAOYSA-N 0 0 187.267 2.902 10 0 AFAERN C[C@@H](O)C/C=C\C1CCCCC1 307939561 572801660 /nfs/dbraw/zinc/80/16/60/572801660.db2.gz LZVRDIRYEWDPSW-HYHWUIIZSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H]1C=C[C@@H](CO)CC=CCC1 307938110 572801710 /nfs/dbraw/zinc/80/17/10/572801710.db2.gz QHRMRKKKYNOOHL-QWRGUYRKSA-N 0 0 166.264 2.527 10 0 AFAERN OC1(c2cccc3cnccc23)CCC1 85754443 572801747 /nfs/dbraw/zinc/80/17/47/572801747.db2.gz YLTOCKKNLNRKIH-UHFFFAOYSA-N 0 0 199.253 2.606 10 0 AFAERN C[C@@H]1C=C[C@H](CO)CC=CCC1 307938111 572801802 /nfs/dbraw/zinc/80/18/02/572801802.db2.gz QHRMRKKKYNOOHL-WDEREUQCSA-N 0 0 166.264 2.527 10 0 AFAERN CSc1cc(N)oc1CC1CC1 257566479 572801830 /nfs/dbraw/zinc/80/18/30/572801830.db2.gz COSGRZSHQINNPS-UHFFFAOYSA-N 0 0 183.276 2.536 10 0 AFAERN CSc1cc(N)[nH]c1CC(C)C 257570229 572803664 /nfs/dbraw/zinc/80/36/64/572803664.db2.gz COPAEZKUDDSCHQ-UHFFFAOYSA-N 0 0 184.308 2.517 10 0 AFAERN CC1=C[C@H](C)C[C@H]([C@@H](O)C2CC2)C1 235353245 572801905 /nfs/dbraw/zinc/80/19/05/572801905.db2.gz FPVNDKDFOYSCJM-UWJYBYFXSA-N 0 0 180.291 2.750 10 0 AFAERN Nc1coc(Cc2cccs2)c1 257567394 572801941 /nfs/dbraw/zinc/80/19/41/572801941.db2.gz WQGDIUDJBAXMPJ-UHFFFAOYSA-N 0 0 179.244 2.514 10 0 AFAERN CCc1cc(N)sc1N(CC)CC 257569115 572802012 /nfs/dbraw/zinc/80/20/12/572802012.db2.gz LNWHZQVUQTXPJD-UHFFFAOYSA-N 0 0 198.335 2.739 10 0 AFAERN Nc1coc(CC2CCCC2)c1 257567115 572802789 /nfs/dbraw/zinc/80/27/89/572802789.db2.gz PUUNVUXRXRJCDG-UHFFFAOYSA-N 0 0 165.236 2.595 10 0 AFAERN Nc1coc(Cc2cccc(F)c2)c1 257567060 572802129 /nfs/dbraw/zinc/80/21/29/572802129.db2.gz OZGIKXFASWCWAW-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN C[C@@H](CO)Cc1coc2ccccc12 118005401 572802185 /nfs/dbraw/zinc/80/21/85/572802185.db2.gz MSYZZNITKQSQOF-SECBINFHSA-N 0 0 190.242 2.604 10 0 AFAERN CC[C@H](O)[C@H](C)/C=C\[Si](C)(C)C 307939657 572802271 /nfs/dbraw/zinc/80/22/71/572802271.db2.gz UIHUIHSQSOQSSU-LKMPMBSTSA-N 0 0 186.371 2.827 10 0 AFAERN Nc1cccc(Nc2cccc(N)c2)c1 118103018 572802388 /nfs/dbraw/zinc/80/23/88/572802388.db2.gz BHIHLQIADYMJCI-UHFFFAOYSA-N 0 0 199.257 2.595 10 0 AFAERN CCCc1ccc(OCOC)cc1 118104450 572802406 /nfs/dbraw/zinc/80/24/06/572802406.db2.gz HIXOZCQLIFRETK-UHFFFAOYSA-N 0 0 180.247 2.622 10 0 AFAERN CNOC/C=C\c1cccc(Cl)c1 714552450 572802413 /nfs/dbraw/zinc/80/24/13/572802413.db2.gz IMOULXUDXYSSGJ-HYXAFXHYSA-N 0 0 197.665 2.504 10 0 AFAERN CC(C)CCc1oc(N)cc1N(C)C 257568148 572802426 /nfs/dbraw/zinc/80/24/26/572802426.db2.gz FFEINVDZKPYDPY-UHFFFAOYSA-N 0 0 196.294 2.516 10 0 AFAERN CC[C@H](O)[C@@H](C)/C=C\[Si](C)(C)C 307939658 572802575 /nfs/dbraw/zinc/80/25/75/572802575.db2.gz UIHUIHSQSOQSSU-OWSSEVEYSA-N 0 0 186.371 2.827 10 0 AFAERN CC[C@H]1Cc2c(C)ccc(C)c2[C@@H]1O 714332521 572802639 /nfs/dbraw/zinc/80/26/39/572802639.db2.gz ISBSNUWYVBAGPP-GXFFZTMASA-N 0 0 190.286 2.919 10 0 AFAERN CCc1ccc(OCOC)c([S-])c1 118111631 572802735 /nfs/dbraw/zinc/80/27/35/572802735.db2.gz GTRPPLMNYAPEMP-UHFFFAOYSA-N 0 0 198.287 2.520 10 0 AFAERN CC(C)CCc1cc(N)c(N(C)C)o1 257568670 572802740 /nfs/dbraw/zinc/80/27/40/572802740.db2.gz IQFMFCPCWQRWRR-UHFFFAOYSA-N 0 0 196.294 2.516 10 0 AFAERN Cc1cnc(-c2ccc(N)s2)s1 257567450 572802776 /nfs/dbraw/zinc/80/27/76/572802776.db2.gz YWLSXYZTEBSQQK-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CC(C)(/C=C\C1CCCC1)CO 307939993 572802782 /nfs/dbraw/zinc/80/27/82/572802782.db2.gz VNHOUNBNVAXRIY-FPLPWBNLSA-N 0 0 168.280 2.751 10 0 AFAERN Cc1cc(N)oc1N1CCCCCC1 257568376 572802808 /nfs/dbraw/zinc/80/28/08/572802808.db2.gz GKVGYRXKKVZIKR-UHFFFAOYSA-N 0 0 194.278 2.551 10 0 AFAERN CC[C@@H]1Cc2c(C)ccc(C)c2[C@@H]1O 714332524 572802849 /nfs/dbraw/zinc/80/28/49/572802849.db2.gz ISBSNUWYVBAGPP-ZWNOBZJWSA-N 0 0 190.286 2.919 10 0 AFAERN Nc1coc(CC2CCCCC2)c1 257566981 572803015 /nfs/dbraw/zinc/80/30/15/572803015.db2.gz NLPTWQMXVKUFJQ-UHFFFAOYSA-N 0 0 179.263 2.985 10 0 AFAERN CC1=CCCCC=C[C@H](O)CC1 307940212 572803025 /nfs/dbraw/zinc/80/30/25/572803025.db2.gz MRLJIPQTEFVWER-NSHDSACASA-N 0 0 166.264 2.814 10 0 AFAERN Cc1ccccc1Cc1cc(N)co1 257567381 572803076 /nfs/dbraw/zinc/80/30/76/572803076.db2.gz WDZQWCCVMFKSHR-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN CCc1sc(N)cc1SC 257567167 572803159 /nfs/dbraw/zinc/80/31/59/572803159.db2.gz QVZBEAOQUZVBKT-UHFFFAOYSA-N 0 0 173.306 2.615 10 0 AFAERN CCCCN(C)[C@@H](C)C(F)(F)F 307939652 572803175 /nfs/dbraw/zinc/80/31/75/572803175.db2.gz BDMOTBZTSKWUIV-ZETCQYMHSA-N 0 0 183.217 2.669 10 0 AFAERN ONCc1cc2cccc(Cl)c2o1 75068267 572803221 /nfs/dbraw/zinc/80/32/21/572803221.db2.gz RZQUKBSSBQMMAM-UHFFFAOYSA-N 0 0 197.621 2.565 10 0 AFAERN CC(C)CCc1cc(N)oc1N(C)C 257568007 572803237 /nfs/dbraw/zinc/80/32/37/572803237.db2.gz CSRWLQUETXJWEQ-UHFFFAOYSA-N 0 0 196.294 2.516 10 0 AFAERN OC1(c2cnc3ccccc3c2)CCC1 85754249 572803248 /nfs/dbraw/zinc/80/32/48/572803248.db2.gz XNMZWRNWMQORLM-UHFFFAOYSA-N 0 0 199.253 2.606 10 0 AFAERN C/C=C(\[C@H](CC)CO)[Si](C)(C)C 307940537 572803253 /nfs/dbraw/zinc/80/32/53/572803253.db2.gz XAXSRBYMAFUHTP-YIXGCBLDSA-N 0 0 186.371 2.829 10 0 AFAERN CC(C)CCC(=O)OCC[C@H](C)F 308132425 572803270 /nfs/dbraw/zinc/80/32/70/572803270.db2.gz BVJVUIQEDYAEFD-VIFPVBQESA-N 0 0 190.258 2.714 10 0 AFAERN Cc1sc(N)cc1-c1ccccn1 257583888 572805782 /nfs/dbraw/zinc/80/57/82/572805782.db2.gz SORRJTHRODFBFC-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC[C@@H]1Cc2c(C)ccc(C)c2[C@H]1O 714332522 572803398 /nfs/dbraw/zinc/80/33/98/572803398.db2.gz ISBSNUWYVBAGPP-MFKMUULPSA-N 0 0 190.286 2.919 10 0 AFAERN CN(C)c1cc(N)oc1CC(C)(C)C 257567788 572803416 /nfs/dbraw/zinc/80/34/16/572803416.db2.gz BLWMARLCCFZASR-UHFFFAOYSA-N 0 0 196.294 2.516 10 0 AFAERN CSc1c(N)coc1CC1CC1 257567203 572803505 /nfs/dbraw/zinc/80/35/05/572803505.db2.gz SEPUPPJVHXBJEA-UHFFFAOYSA-N 0 0 183.276 2.536 10 0 AFAERN Cc1cc(N)c(N2CCCCCC2)o1 257568089 572803585 /nfs/dbraw/zinc/80/35/85/572803585.db2.gz DMOKWCKYGYCFIX-UHFFFAOYSA-N 0 0 194.278 2.551 10 0 AFAERN CSc1c(N)coc1CC(C)C 257566973 572803651 /nfs/dbraw/zinc/80/36/51/572803651.db2.gz NAKJGCLFCFHZKR-UHFFFAOYSA-N 0 0 185.292 2.782 10 0 AFAERN Cc1ccc(Cc2cc(N)co2)cc1 257566510 572803653 /nfs/dbraw/zinc/80/36/53/572803653.db2.gz DURNSTBRSURFCJ-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN CC[C@H]1Cc2cc(C)cc(C)c2[C@@H]1O 714333450 572805825 /nfs/dbraw/zinc/80/58/25/572805825.db2.gz RNIYUGWHTBIFQW-GXFFZTMASA-N 0 0 190.286 2.919 10 0 AFAERN CCC(=O)c1sccc1[C@@H](O)CC 117983935 572803693 /nfs/dbraw/zinc/80/36/93/572803693.db2.gz GNLAFLLNAOTKLG-QMMMGPOBSA-N 0 0 198.287 2.784 10 0 AFAERN C[C@@H](O)/C=C\C1=CCCCCC1 307940304 572803707 /nfs/dbraw/zinc/80/37/07/572803707.db2.gz MXYYTFMWZOYSKJ-HSTULFTRSA-N 0 0 166.264 2.814 10 0 AFAERN Nc1coc(Cc2ccccc2F)c1 257567102 572803745 /nfs/dbraw/zinc/80/37/45/572803745.db2.gz POYSVXQEVCPDFS-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN C[C@H](CO)Cc1coc2ccccc12 118005403 572803773 /nfs/dbraw/zinc/80/37/73/572803773.db2.gz MSYZZNITKQSQOF-VIFPVBQESA-N 0 0 190.242 2.604 10 0 AFAERN Cc1nc(-c2ccc(N)s2)oc1C 257566511 572803788 /nfs/dbraw/zinc/80/37/88/572803788.db2.gz DWRDDPBDWYQZSA-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN c1[nH]cc2c1NCC1(CCCC1)S2 257570411 572803803 /nfs/dbraw/zinc/80/38/03/572803803.db2.gz BWQOSCPWVAACFX-UHFFFAOYSA-N 0 0 194.303 2.845 10 0 AFAERN CC1=C(C/C=C\CO)CCCC1 307940534 572803830 /nfs/dbraw/zinc/80/38/30/572803830.db2.gz WZLNUJKDCACAQL-PLNGDYQASA-N 0 0 166.264 2.816 10 0 AFAERN C/C=C(C)/C=C(C)/C=C(/C)CO 307940286 572803883 /nfs/dbraw/zinc/80/38/83/572803883.db2.gz MWMVDCOTUUMMDN-MSOTXFBYSA-N 0 0 166.264 2.838 10 0 AFAERN Cc1cnc2c(c1)CC[C@@H](C)C2 49804757 572803931 /nfs/dbraw/zinc/80/39/31/572803931.db2.gz DGCXNDKXKJZGJQ-MRVPVSSYSA-N 0 0 161.248 2.515 10 0 AFAERN O[C@@H](CC1CC1)c1ccc(F)cc1 49731688 572803994 /nfs/dbraw/zinc/80/39/94/572803994.db2.gz YPTNOTGHXFPULR-NSHDSACASA-N 0 0 180.222 2.659 10 0 AFAERN CC/C=C\[C@H](CC)C[C@H](C)CO 307939713 572804074 /nfs/dbraw/zinc/80/40/74/572804074.db2.gz UZABOBNTGXNLSU-TWHAFNCTSA-N 0 0 170.296 2.997 10 0 AFAERN O=C(CC1CC1)c1ccc(F)cc1 49729026 572804097 /nfs/dbraw/zinc/80/40/97/572804097.db2.gz YMMZMIKMXJPZFX-UHFFFAOYSA-N 0 0 178.206 2.809 10 0 AFAERN Cc1coc2cccc(F)c12 118008245 572804123 /nfs/dbraw/zinc/80/41/23/572804123.db2.gz FELNZKYAHJHZNO-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN C/C=C(\[C@@H](CC)CO)[Si](C)(C)C 307940536 572804277 /nfs/dbraw/zinc/80/42/77/572804277.db2.gz XAXSRBYMAFUHTP-HZAKCSEPSA-N 0 0 186.371 2.829 10 0 AFAERN CCCCN(C)[C@H](C)C(F)(F)F 307939651 572804237 /nfs/dbraw/zinc/80/42/37/572804237.db2.gz BDMOTBZTSKWUIV-SSDOTTSWSA-N 0 0 183.217 2.669 10 0 AFAERN COc1c(Cl)cc(C)cc1C(C)=O 75068327 572804302 /nfs/dbraw/zinc/80/43/02/572804302.db2.gz RCHFPRWBSKXDBH-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN O[C@H](CC1CC1)c1cc(F)ccc1F 49731740 572804332 /nfs/dbraw/zinc/80/43/32/572804332.db2.gz VSKFAISGBFJNDS-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN CC/C=C\C(=O)OCCCCC 198731096 572804392 /nfs/dbraw/zinc/80/43/92/572804392.db2.gz ZWJMDFZAUJILNA-VURMDHGXSA-N 0 0 170.252 2.686 10 0 AFAERN C/C=C(\C)C(=O)OCC1=CCCC1 308136533 572804686 /nfs/dbraw/zinc/80/46/86/572804686.db2.gz ABQUHRULZNZRJP-YCRREMRBSA-N 0 0 180.247 2.606 10 0 AFAERN Cc1cnc2c(c1)CC[C@H](C)C2 49804758 572804798 /nfs/dbraw/zinc/80/47/98/572804798.db2.gz DGCXNDKXKJZGJQ-QMMMGPOBSA-N 0 0 161.248 2.515 10 0 AFAERN Cn1cccc1NC1CCCCC1 257572794 572804974 /nfs/dbraw/zinc/80/49/74/572804974.db2.gz PXFCSGJBNGWMRR-UHFFFAOYSA-N 0 0 178.279 2.770 10 0 AFAERN Nc1cc(-c2ccno2)ccc1Cl 75068131 572805046 /nfs/dbraw/zinc/80/50/46/572805046.db2.gz STRLDNPKERVIOY-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN Cc1ccsc1-c1ccc(N)n1C 257583396 572805084 /nfs/dbraw/zinc/80/50/84/572805084.db2.gz HBEVTRWNFWTESZ-UHFFFAOYSA-N 0 0 192.287 2.644 10 0 AFAERN O=C(CC1CC1)c1ccc(F)c(F)c1 49729053 572805113 /nfs/dbraw/zinc/80/51/13/572805113.db2.gz TUFFBZRUUFORDL-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN CC[C@H]1Cc2cc(C)cc(C)c2[C@H]1O 714333449 572805197 /nfs/dbraw/zinc/80/51/97/572805197.db2.gz RNIYUGWHTBIFQW-GWCFXTLKSA-N 0 0 190.286 2.919 10 0 AFAERN CC[C@@H](C)OCC(CC)(CC)CO 308132882 572805253 /nfs/dbraw/zinc/80/52/53/572805253.db2.gz GEFPRBYYRLGXOA-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN C/C(CO)=C(\Cl)c1ccccc1 307941136 572805397 /nfs/dbraw/zinc/80/53/97/572805397.db2.gz NWBHWMZVHIQCIN-CSKARUKUSA-N 0 0 182.650 2.649 10 0 AFAERN Nc1ccoc1-c1occc1Cl 257583858 572805427 /nfs/dbraw/zinc/80/54/27/572805427.db2.gz PYFVPLIWLJNTOG-UHFFFAOYSA-N 0 0 183.594 2.775 10 0 AFAERN Cc1csc(-c2ccc(N)n2C)c1 257583365 572805574 /nfs/dbraw/zinc/80/55/74/572805574.db2.gz GAOAMCCEESEYCT-UHFFFAOYSA-N 0 0 192.287 2.644 10 0 AFAERN CC[C@@H]1[C@@H](C)Cc2ccccc2[C@H]1O 714333389 572805665 /nfs/dbraw/zinc/80/56/65/572805665.db2.gz QKSDQPSPEFRTLC-NDMJEZRESA-N 0 0 190.286 2.938 10 0 AFAERN Cc1ccc([C@H]2CCCO2)cc1 49804779 572805694 /nfs/dbraw/zinc/80/56/94/572805694.db2.gz NSMKHRYHLAUOEY-LLVKDONJSA-N 0 0 162.232 2.847 10 0 AFAERN O[C@H](CC1CC1)c1ccc(F)cc1F 49731802 572805698 /nfs/dbraw/zinc/80/56/98/572805698.db2.gz SFOOGZHAJBCGFM-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN C=Cc1nc(C(C)(C)C)co1 167737468 572805743 /nfs/dbraw/zinc/80/57/43/572805743.db2.gz LIDIRNYYHPMBIS-UHFFFAOYSA-N 0 0 151.209 2.615 10 0 AFAERN Cc1cc(C)c(-c2ccc(N)s2)[nH]1 257583892 572805844 /nfs/dbraw/zinc/80/58/44/572805844.db2.gz TXWDIAXGFXXXNC-UHFFFAOYSA-N 0 0 192.287 2.942 10 0 AFAERN CSc1cc(N)n(C)c1CC(C)C 257572458 572805863 /nfs/dbraw/zinc/80/58/63/572805863.db2.gz NNWQYQKZVAMJLH-UHFFFAOYSA-N 0 0 198.335 2.528 10 0 AFAERN CSc1cc(N)[nH]c1CC(C)(C)C 257572491 572805994 /nfs/dbraw/zinc/80/59/94/572805994.db2.gz OCHAIUSZTRIXCU-UHFFFAOYSA-N 0 0 198.335 2.907 10 0 AFAERN Cc1ccsc1[C@H](O)CC1CC1 49771056 572806031 /nfs/dbraw/zinc/80/60/31/572806031.db2.gz MIFCQTXCGYGNOG-SECBINFHSA-N 0 0 182.288 2.890 10 0 AFAERN Cc1sc(N)cc1-c1cccnc1 257583881 572806033 /nfs/dbraw/zinc/80/60/33/572806033.db2.gz SGDDMDBEDVETOI-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C=C=C(CCC)[C@H](O)/C=C\CC 307941324 572806247 /nfs/dbraw/zinc/80/62/47/572806247.db2.gz ZMUPOTGJVNNXEO-GXMKHXEJSA-N 0 0 166.264 2.825 10 0 AFAERN Cc1ccc(C(=O)CC2CC2)cc1 49729078 572806453 /nfs/dbraw/zinc/80/64/53/572806453.db2.gz JBGVKJVTILEZNJ-UHFFFAOYSA-N 0 0 174.243 2.978 10 0 AFAERN CC[C@H](C)OCC(CC)(CC)CO 308132881 572806677 /nfs/dbraw/zinc/80/66/77/572806677.db2.gz GEFPRBYYRLGXOA-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN COc1ccc([C@@H](C)CCCO)cc1 116598863 572806747 /nfs/dbraw/zinc/80/67/47/572806747.db2.gz NUVMHUPQVRCMLD-JTQLQIEISA-N 0 0 194.274 2.571 10 0 AFAERN Cc1oc(N)cc1-c1cccc(F)c1 257583400 572806830 /nfs/dbraw/zinc/80/68/30/572806830.db2.gz HFHBHOQJBQLAEZ-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN O=C(CC1CC1)c1ccc(F)cc1F 49729027 572806841 /nfs/dbraw/zinc/80/68/41/572806841.db2.gz UGCHMTHOPDJDCK-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN C=C=C(CCC)[C@@H](O)/C=C\CC 307941323 572806851 /nfs/dbraw/zinc/80/68/51/572806851.db2.gz ZMUPOTGJVNNXEO-DVBBHNHCSA-N 0 0 166.264 2.825 10 0 AFAERN CC1(C)CCc2sc(N)cc2C1 257583444 572806854 /nfs/dbraw/zinc/80/68/54/572806854.db2.gz IKHMFHFFKSYVEP-UHFFFAOYSA-N 0 0 181.304 2.845 10 0 AFAERN O[C@@H](CC1CC1)c1ccc(F)c(F)c1 49731818 572806892 /nfs/dbraw/zinc/80/68/92/572806892.db2.gz AVEBIEXSXCYGIJ-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN C/C=C(/C)C(=O)OCC1=CCCC1 308136532 572806957 /nfs/dbraw/zinc/80/69/57/572806957.db2.gz ABQUHRULZNZRJP-OQFOIZHKSA-N 0 0 180.247 2.606 10 0 AFAERN Cc1oc(N)cc1-c1ccc(F)cc1 257583838 572806971 /nfs/dbraw/zinc/80/69/71/572806971.db2.gz NQDDMCFDRBUWKK-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN O[C@@H](CC1CC1)c1cccs1 49731771 572806977 /nfs/dbraw/zinc/80/69/77/572806977.db2.gz LXDDICFATASEPW-QMMMGPOBSA-N 0 0 168.261 2.582 10 0 AFAERN CC[C@@H]1[C@@H](C)Cc2ccccc2[C@@H]1O 714333390 572807117 /nfs/dbraw/zinc/80/71/17/572807117.db2.gz QKSDQPSPEFRTLC-UFGOTCBOSA-N 0 0 190.286 2.938 10 0 AFAERN C/C=C\[C@@H](O)C1=CCCCCC1 307940949 572807166 /nfs/dbraw/zinc/80/71/66/572807166.db2.gz YBHGMEDFKXAQMC-IGVIJBNESA-N 0 0 166.264 2.814 10 0 AFAERN CC[C@@H]1Cc2cc(C)cc(C)c2[C@H]1O 714333451 572807333 /nfs/dbraw/zinc/80/73/33/572807333.db2.gz RNIYUGWHTBIFQW-MFKMUULPSA-N 0 0 190.286 2.919 10 0 AFAERN O[C@@H](CC1CC1)c1cc(F)ccc1F 49731742 572807384 /nfs/dbraw/zinc/80/73/84/572807384.db2.gz VSKFAISGBFJNDS-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN CC[C@H]1[C@H](O)c2ccccc2C[C@H]1C 714333391 572807394 /nfs/dbraw/zinc/80/73/94/572807394.db2.gz QKSDQPSPEFRTLC-XWIASGKRSA-N 0 0 190.286 2.938 10 0 AFAERN C/C=C\[C@H](O)C1=CCCCCC1 307940950 572807468 /nfs/dbraw/zinc/80/74/68/572807468.db2.gz YBHGMEDFKXAQMC-JNWMYZIBSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1ccc([C@@H](O)CC2CC2)cc1 49731702 572807610 /nfs/dbraw/zinc/80/76/10/572807610.db2.gz BMNVIMUWMCISBT-LBPRGKRZSA-N 0 0 176.259 2.829 10 0 AFAERN CC[C@@H]1Cc2cc(C)cc(C)c2[C@@H]1O 714333452 572807612 /nfs/dbraw/zinc/80/76/12/572807612.db2.gz RNIYUGWHTBIFQW-ZWNOBZJWSA-N 0 0 190.286 2.919 10 0 AFAERN O=C(CCC1CC1)C[C@@H]1CCCOC1 689506301 572807641 /nfs/dbraw/zinc/80/76/41/572807641.db2.gz OBQUPZSODDPGQL-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN Cc1ccsc1[C@@H](O)CC1CC1 49771057 572807784 /nfs/dbraw/zinc/80/77/84/572807784.db2.gz MIFCQTXCGYGNOG-VIFPVBQESA-N 0 0 182.288 2.890 10 0 AFAERN O[C@@H](CC1CC1)c1ccc(F)cc1F 49731804 572807925 /nfs/dbraw/zinc/80/79/25/572807925.db2.gz SFOOGZHAJBCGFM-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN CCC[C@H](CC1(C)CCCC1)NN 308138102 572807857 /nfs/dbraw/zinc/80/78/57/572807857.db2.gz QAHSYNCGYBXKIU-SNVBAGLBSA-N 0 0 184.327 2.589 10 0 AFAERN CO[C@H]1CCCC[C@H]1CCC(C)=O 308137373 572807953 /nfs/dbraw/zinc/80/79/53/572807953.db2.gz PLGFLZAYQYLPJH-QWRGUYRKSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)[C@@H](C)Nc1ccc(Cl)cc1 196696158 572807956 /nfs/dbraw/zinc/80/79/56/572807956.db2.gz CQMMGTJPMIAGKU-SSDOTTSWSA-N 0 0 197.665 2.729 10 0 AFAERN COc1cc2c(c(C)c1C)C[C@H](C)N2 713759739 572808044 /nfs/dbraw/zinc/80/80/44/572808044.db2.gz JGTTXHLYNLVBTJ-ZETCQYMHSA-N 0 0 191.274 2.669 10 0 AFAERN O=C(CC1CC1)c1cc(F)ccc1F 49729012 572808089 /nfs/dbraw/zinc/80/80/89/572808089.db2.gz AJVVMFVSYAUJGI-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN Cc1ccc([C@@H]2CCC(=O)O2)cc1C 49806598 572808918 /nfs/dbraw/zinc/80/89/18/572808918.db2.gz QSBRLXDKNZFHHM-NSHDSACASA-N 0 0 190.242 2.682 10 0 AFAERN Cc1ccc([C@@H](O)CC2CC2)s1 49731661 572808132 /nfs/dbraw/zinc/80/81/32/572808132.db2.gz LYPHWCOJNFJENE-VIFPVBQESA-N 0 0 182.288 2.890 10 0 AFAERN CO[C@@H]1CCCC[C@@H]1CCC(C)=O 308137365 572808167 /nfs/dbraw/zinc/80/81/67/572808167.db2.gz PLGFLZAYQYLPJH-GHMZBOCLSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccc([C@@H]2CCCO2)cc1 49804778 572808187 /nfs/dbraw/zinc/80/81/87/572808187.db2.gz NSMKHRYHLAUOEY-NSHDSACASA-N 0 0 162.232 2.847 10 0 AFAERN Cc1ccc([C@H](O)CC2CC2)cc1 49731700 572808205 /nfs/dbraw/zinc/80/82/05/572808205.db2.gz BMNVIMUWMCISBT-GFCCVEGCSA-N 0 0 176.259 2.829 10 0 AFAERN CC[C@](C)(OC)C(=O)CCCCF 308137477 572808235 /nfs/dbraw/zinc/80/82/35/572808235.db2.gz JEVCUZCSTPVLED-JTQLQIEISA-N 0 0 190.258 2.510 10 0 AFAERN O=C(CC1CC1)c1cccs1 49729075 572808351 /nfs/dbraw/zinc/80/83/51/572808351.db2.gz IHBBTJWVZFTKIO-UHFFFAOYSA-N 0 0 166.245 2.731 10 0 AFAERN CC(=O)CS[C@H](C)C1CCCC1 307942582 572808368 /nfs/dbraw/zinc/80/83/68/572808368.db2.gz DGXHHOTXYZCFHF-SECBINFHSA-N 0 0 186.320 2.887 10 0 AFAERN CC(C)[C@@H]1CC[N@H+](C/C=C\Cl)C1 307942959 572808482 /nfs/dbraw/zinc/80/84/82/572808482.db2.gz DWLAMTJDXBRMAU-TZGMSPROSA-N 0 0 187.714 2.717 10 0 AFAERN CC(=O)[C@H](C)Nc1ccc(Cl)cc1 196696145 572808494 /nfs/dbraw/zinc/80/84/94/572808494.db2.gz CQMMGTJPMIAGKU-ZETCQYMHSA-N 0 0 197.665 2.729 10 0 AFAERN CC(C)=C[C@H](O)C[Si](C)(C)C 196696273 572808553 /nfs/dbraw/zinc/80/85/53/572808553.db2.gz HNNFDAZJZIOQRF-VIFPVBQESA-N 0 0 172.344 2.652 10 0 AFAERN Cc1ccc(Cl)cc1/C=C\CO 307943580 572808740 /nfs/dbraw/zinc/80/87/40/572808740.db2.gz SWQZZQVXTFBGQI-IHWYPQMZSA-N 0 0 182.650 2.654 10 0 AFAERN Cc1ccc(C)c2ncc(C=O)cc12 49805962 572808749 /nfs/dbraw/zinc/80/87/49/572808749.db2.gz YAUSBSYBULIOEQ-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN C/C=C/C=C/[C@H](C)[C@@H](O)C(C)C 307943566 572808824 /nfs/dbraw/zinc/80/88/24/572808824.db2.gz SVCPSUJXMBQZFI-LDQMQQEESA-N 0 0 168.280 2.772 10 0 AFAERN CC[C@@H]1Cc2cc(C)ccc2NC1=O 49806453 572808834 /nfs/dbraw/zinc/80/88/34/572808834.db2.gz TYCYURLRGRDUEO-SECBINFHSA-N 0 0 189.258 2.516 10 0 AFAERN C[C@@]12CCC[C@@H](CC(=O)C1)C2 196685980 572808888 /nfs/dbraw/zinc/80/88/88/572808888.db2.gz LHXPUDZBCPUOHO-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cccc(CCC(C)(C)O)c1 49805449 572808895 /nfs/dbraw/zinc/80/88/95/572808895.db2.gz SIYMYJWXXSLXES-UHFFFAOYSA-N 0 0 178.275 2.699 10 0 AFAERN O[C@@H]1C=CCC[C@@H]1Cc1ccccc1 196690177 572809040 /nfs/dbraw/zinc/80/90/40/572809040.db2.gz KHEXQBXZRCSRLF-CHWSQXEVSA-N 0 0 188.270 2.556 10 0 AFAERN C[C@H](CC(=O)OC1CCC1)C1CC1 308137545 572809144 /nfs/dbraw/zinc/80/91/44/572809144.db2.gz GESNWKRRKXCCDR-MRVPVSSYSA-N 0 0 182.263 2.518 10 0 AFAERN CCC[C@@H](CC1(C)CCCC1)NN 308138101 572809153 /nfs/dbraw/zinc/80/91/53/572809153.db2.gz QAHSYNCGYBXKIU-JTQLQIEISA-N 0 0 184.327 2.589 10 0 AFAERN CCC(=O)OCc1sccc1C 307942873 572809160 /nfs/dbraw/zinc/80/91/60/572809160.db2.gz DRVFBDJMDMQMLD-UHFFFAOYSA-N 0 0 184.260 2.510 10 0 AFAERN C[C@H]1CC[C@H](C)c2ncc(C=O)cc21 49806474 572809169 /nfs/dbraw/zinc/80/91/69/572809169.db2.gz QMNBREMFIDTJNR-IUCAKERBSA-N 0 0 189.258 2.895 10 0 AFAERN CC[C@H](F)COc1ccccc1 307943470 572809379 /nfs/dbraw/zinc/80/93/79/572809379.db2.gz FRXQQCLMRBRUIC-VIFPVBQESA-N 0 0 168.211 2.814 10 0 AFAERN Cc1cnc2c(c1)C[C@H](C)[C@@H](C)C2 49805273 572809436 /nfs/dbraw/zinc/80/94/36/572809436.db2.gz JHRKEUMLMXQNPH-UWVGGRQHSA-N 0 0 175.275 2.761 10 0 AFAERN Cc1cnc2c(c1)C[C@@H](C)[C@@H](C)C2 49805271 572809478 /nfs/dbraw/zinc/80/94/78/572809478.db2.gz JHRKEUMLMXQNPH-ZJUUUORDSA-N 0 0 175.275 2.761 10 0 AFAERN C/C=C\[C@H](O)CC1=CCCCC1 307942777 572809483 /nfs/dbraw/zinc/80/94/83/572809483.db2.gz QGHSYOGMLMQHSL-ZYVOWACSSA-N 0 0 166.264 2.814 10 0 AFAERN CC(C)(C)CC(=O)OC1CCC1 307942511 572809557 /nfs/dbraw/zinc/80/95/57/572809557.db2.gz DDSDPDPZJNMHLX-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN Cc1ccc(-c2cc(N)no2)c(C)c1 49806273 572809716 /nfs/dbraw/zinc/80/97/16/572809716.db2.gz FGSAKRCGUZBGIG-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cc(-c2ccc(F)c(C)c2)n[nH]1 49806562 572809749 /nfs/dbraw/zinc/80/97/49/572809749.db2.gz OPRFJANBHKZNHE-UHFFFAOYSA-N 0 0 190.221 2.833 10 0 AFAERN CC[C@H]1Cc2cc(C)ccc2NC1=O 49806454 572809806 /nfs/dbraw/zinc/80/98/06/572809806.db2.gz TYCYURLRGRDUEO-VIFPVBQESA-N 0 0 189.258 2.516 10 0 AFAERN CC[C@@H]1Cc2cccc(C)c2NC1=O 49806449 572809844 /nfs/dbraw/zinc/80/98/44/572809844.db2.gz FHFATPQMSFKTSQ-SECBINFHSA-N 0 0 189.258 2.516 10 0 AFAERN C/C=C(\C)C(=O)OC(C)(C)CC 307942660 572809849 /nfs/dbraw/zinc/80/98/49/572809849.db2.gz DKPIXYDJRRHMEL-SOFGYWHQSA-N 0 0 170.252 2.684 10 0 AFAERN CC[C@@H]1CCc2ncc(C)cc2C1 49805283 572809883 /nfs/dbraw/zinc/80/98/83/572809883.db2.gz IRMRRGOFVPAXAP-SNVBAGLBSA-N 0 0 175.275 2.905 10 0 AFAERN C[C@@H](CC(=O)OC1CCC1)C1CC1 308137548 572809884 /nfs/dbraw/zinc/80/98/84/572809884.db2.gz GESNWKRRKXCCDR-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN Cc1cc([C@@H]2CCCO2)ccc1F 49805627 572811184 /nfs/dbraw/zinc/81/11/84/572811184.db2.gz WAEYCYWRKOQBAX-NSHDSACASA-N 0 0 180.222 2.986 10 0 AFAERN CO[C@@H](C)CCC(=O)CCCCF 308138384 572809927 /nfs/dbraw/zinc/80/99/27/572809927.db2.gz JPWNUKIQRITKAA-VIFPVBQESA-N 0 0 190.258 2.510 10 0 AFAERN CCNc1cc(OC(C)C)ccc1O 71455264 572809928 /nfs/dbraw/zinc/80/99/28/572809928.db2.gz LZRLQRLROSDODA-UHFFFAOYSA-N 0 0 195.262 2.611 10 0 AFAERN CC/C=C/COC(=O)C(C)(C)C 307942141 572809989 /nfs/dbraw/zinc/80/99/89/572809989.db2.gz DCITWXVJCQYNBL-VOTSOKGWSA-N 0 0 170.252 2.542 10 0 AFAERN CO[C@H](C)CCC(=O)CCCCF 308138383 572810005 /nfs/dbraw/zinc/81/00/05/572810005.db2.gz JPWNUKIQRITKAA-SECBINFHSA-N 0 0 190.258 2.510 10 0 AFAERN CCc1ccc2ncc(C=O)cc2c1 49805963 572810007 /nfs/dbraw/zinc/81/00/07/572810007.db2.gz DWIYDITWPLSOMT-UHFFFAOYSA-N 0 0 185.226 2.610 10 0 AFAERN Cc1ccc(-c2cc(N)no2)cc1C 49806269 572810062 /nfs/dbraw/zinc/81/00/62/572810062.db2.gz VMJOFTHCCSRECO-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC[C@@H]1Cc2ccc(C)cc2NC1=O 49806451 572810099 /nfs/dbraw/zinc/81/00/99/572810099.db2.gz VLVBDLKEEOWCTM-SECBINFHSA-N 0 0 189.258 2.516 10 0 AFAERN C[C@@H]1c2ncc(C=O)cc2CC[C@H]1C 49806459 572810173 /nfs/dbraw/zinc/81/01/73/572810173.db2.gz PHWLODPQLLJMSD-BDAKNGLRSA-N 0 0 189.258 2.580 10 0 AFAERN C/C=C/CSCc1ncoc1C 307942761 572810177 /nfs/dbraw/zinc/81/01/77/572810177.db2.gz DMMMEPQJEFPGIM-ONEGZZNKSA-N 0 0 183.276 2.792 10 0 AFAERN CC[C@H]1Cc2ccc(C)cc2NC1=O 49806452 572810191 /nfs/dbraw/zinc/81/01/91/572810191.db2.gz VLVBDLKEEOWCTM-VIFPVBQESA-N 0 0 189.258 2.516 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2ncc(C=O)cc21 49806472 572810197 /nfs/dbraw/zinc/81/01/97/572810197.db2.gz GENOYDPJMOEVCG-BDAKNGLRSA-N 0 0 189.258 2.580 10 0 AFAERN Cc1ccc([C@H]2CCC(=O)O2)c(C)c1 49806601 572810202 /nfs/dbraw/zinc/81/02/02/572810202.db2.gz NKMWCQKHMQNIBQ-LLVKDONJSA-N 0 0 190.242 2.682 10 0 AFAERN CC[C@@](C)(OC)C(=O)CCCCF 308137480 572810249 /nfs/dbraw/zinc/81/02/49/572810249.db2.gz JEVCUZCSTPVLED-SNVBAGLBSA-N 0 0 190.258 2.510 10 0 AFAERN Cc1ccc(-c2conc2N)c(C)c1 49806267 572810294 /nfs/dbraw/zinc/81/02/94/572810294.db2.gz ZUYLGVQMAHWPFL-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1ccc(C)c(-c2cc(N)no2)c1 49806270 572810320 /nfs/dbraw/zinc/81/03/20/572810320.db2.gz YKAAIKNTKDSHES-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C/C=C/C=C\[C@H](C)[C@@H](O)C(C)C 307943567 572810330 /nfs/dbraw/zinc/81/03/30/572810330.db2.gz SVCPSUJXMBQZFI-XRZRFKFZSA-N 0 0 168.280 2.772 10 0 AFAERN C[C@H]1CC[C@@H](C)c2ncc(C=O)cc21 49806476 572810378 /nfs/dbraw/zinc/81/03/78/572810378.db2.gz QMNBREMFIDTJNR-DTWKUNHWSA-N 0 0 189.258 2.895 10 0 AFAERN CC[C@H]1CCc2ncc(C)cc2C1 49805284 572810388 /nfs/dbraw/zinc/81/03/88/572810388.db2.gz IRMRRGOFVPAXAP-JTQLQIEISA-N 0 0 175.275 2.905 10 0 AFAERN C/C=C(/C)C(=O)OC(C)(C)CC 307942661 572810396 /nfs/dbraw/zinc/81/03/96/572810396.db2.gz DKPIXYDJRRHMEL-VURMDHGXSA-N 0 0 170.252 2.684 10 0 AFAERN CCc1cnc2c(c1)CC[C@H](C)C2 49805288 572810442 /nfs/dbraw/zinc/81/04/42/572810442.db2.gz RRZDHVRHKWIWQZ-VIFPVBQESA-N 0 0 175.275 2.769 10 0 AFAERN C/C=C\[C@@H](O)CC1=CCCCC1 307942775 572810536 /nfs/dbraw/zinc/81/05/36/572810536.db2.gz QGHSYOGMLMQHSL-WPPTZLTKSA-N 0 0 166.264 2.814 10 0 AFAERN CC[C@@H](F)COc1ccccc1 307943469 572810540 /nfs/dbraw/zinc/81/05/40/572810540.db2.gz FRXQQCLMRBRUIC-SECBINFHSA-N 0 0 168.211 2.814 10 0 AFAERN CC(C)=C[C@@H](O)C[Si](C)(C)C 196696281 572810542 /nfs/dbraw/zinc/81/05/42/572810542.db2.gz HNNFDAZJZIOQRF-SECBINFHSA-N 0 0 172.344 2.652 10 0 AFAERN CCC(CC)(CO)COC(C)(C)C 308137191 572810543 /nfs/dbraw/zinc/81/05/43/572810543.db2.gz ITXBRFBQYXDUJP-UHFFFAOYSA-N 0 0 188.311 2.600 10 0 AFAERN CCSCc1ccnn1C(C)C 307942369 572810566 /nfs/dbraw/zinc/81/05/66/572810566.db2.gz ZYTBVVPFMFZMHB-UHFFFAOYSA-N 0 0 184.308 2.717 10 0 AFAERN C[C@@H]1Cc2cc(C=O)cnc2[C@@H](C)C1 49806463 572810609 /nfs/dbraw/zinc/81/06/09/572810609.db2.gz JWCCVAMDEQJYKQ-IUCAKERBSA-N 0 0 189.258 2.580 10 0 AFAERN Cc1ccc(CCC(C)(C)O)cc1 49805451 572810660 /nfs/dbraw/zinc/81/06/60/572810660.db2.gz SESJVQRKRIBXEX-UHFFFAOYSA-N 0 0 178.275 2.699 10 0 AFAERN Cc1ccc([C@H]2CCC(=O)O2)cc1C 49806599 572810683 /nfs/dbraw/zinc/81/06/83/572810683.db2.gz QSBRLXDKNZFHHM-LLVKDONJSA-N 0 0 190.242 2.682 10 0 AFAERN C[C@H]1CC[C@@H](C)c2cc(C=O)cnc21 49806473 572810729 /nfs/dbraw/zinc/81/07/29/572810729.db2.gz QMNBREMFIDTJNR-BDAKNGLRSA-N 0 0 189.258 2.895 10 0 AFAERN CCc1cnc2c(c1)C[C@@H](C)CC2 49805289 572810786 /nfs/dbraw/zinc/81/07/86/572810786.db2.gz XZUYHVXJYNEAJA-VIFPVBQESA-N 0 0 175.275 2.769 10 0 AFAERN CC/C(C)=C(/C)C(=O)OC(C)C 307943000 572810824 /nfs/dbraw/zinc/81/08/24/572810824.db2.gz DYFDQNAYOXDTHX-HJWRWDBZSA-N 0 0 170.252 2.684 10 0 AFAERN C[C@H]1Cc2cc(C=O)cnc2[C@H](C)C1 49806462 572811233 /nfs/dbraw/zinc/81/12/33/572811233.db2.gz JWCCVAMDEQJYKQ-RKDXNWHRSA-N 0 0 189.258 2.580 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2cc(C=O)cnc21 49806464 572810918 /nfs/dbraw/zinc/81/09/18/572810918.db2.gz JWCCVAMDEQJYKQ-BDAKNGLRSA-N 0 0 189.258 2.580 10 0 AFAERN CC/C(C)=C(\C)C(=O)OC(C)C 307942998 572810919 /nfs/dbraw/zinc/81/09/19/572810919.db2.gz DYFDQNAYOXDTHX-CMDGGOBGSA-N 0 0 170.252 2.684 10 0 AFAERN CCc1cnc2c(c1)CC[C@@H](C)C2 49805287 572810993 /nfs/dbraw/zinc/81/09/93/572810993.db2.gz RRZDHVRHKWIWQZ-SECBINFHSA-N 0 0 175.275 2.769 10 0 AFAERN C[C@@H]1CCc2cc(C=O)cnc2[C@@H]1C 49806457 572811003 /nfs/dbraw/zinc/81/10/03/572811003.db2.gz PHWLODPQLLJMSD-RKDXNWHRSA-N 0 0 189.258 2.580 10 0 AFAERN CCc1nc2cccc3c2n1CCC3 49806122 572811109 /nfs/dbraw/zinc/81/11/09/572811109.db2.gz JSJLPBZEEDNPNH-UHFFFAOYSA-N 0 0 186.258 2.545 10 0 AFAERN CCc1ccc(-c2cc(C)[nH]n2)cc1 49806095 572811119 /nfs/dbraw/zinc/81/11/19/572811119.db2.gz FHTWVURIESWSTE-UHFFFAOYSA-N 0 0 186.258 2.948 10 0 AFAERN Cc1c(Cl)cc(N)c2c1ccn2C 75122096 572811120 /nfs/dbraw/zinc/81/11/20/572811120.db2.gz AQZKIEPRQRXAIB-UHFFFAOYSA-N 0 0 194.665 2.722 10 0 AFAERN Cc1cnc2c(c1)C[C@H](C)[C@H](C)C2 49805274 572811397 /nfs/dbraw/zinc/81/13/97/572811397.db2.gz JHRKEUMLMXQNPH-VHSXEESVSA-N 0 0 175.275 2.761 10 0 AFAERN C/C=C(\CC)C(=O)OCC(C)C 307944465 572811404 /nfs/dbraw/zinc/81/14/04/572811404.db2.gz HBRLTFWIWMUTPA-WEVVVXLNSA-N 0 0 170.252 2.542 10 0 AFAERN CC1=CCCC[C@@H](O)C=CCC1 307945191 572811449 /nfs/dbraw/zinc/81/14/49/572811449.db2.gz YIFDTUVRYJLNAL-NSHDSACASA-N 0 0 166.264 2.814 10 0 AFAERN CC(C)OC(=O)[C@@H](C)C1=CCCC1 308139446 572811467 /nfs/dbraw/zinc/81/14/67/572811467.db2.gz HMFQZQIVLNRNQN-VIFPVBQESA-N 0 0 182.263 2.684 10 0 AFAERN Cc1ccc(C)c(-c2cn[nH]c2)c1 49805062 572811469 /nfs/dbraw/zinc/81/14/69/572811469.db2.gz FEUZXOPTYJOOLK-UHFFFAOYSA-N 0 0 172.231 2.694 10 0 AFAERN C[C@H](CSC(C)(C)C)[NH+]1CCC1 307943913 572811485 /nfs/dbraw/zinc/81/14/85/572811485.db2.gz GDOJJMCLOYOCGV-SECBINFHSA-N 0 0 187.352 2.612 10 0 AFAERN Cc1ccc(C)c(-c2conc2N)c1 49806265 572811546 /nfs/dbraw/zinc/81/15/46/572811546.db2.gz YWHIEHXHDARZJB-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C[C@H]1Cc2ncc(C=O)cc2[C@H](C)C1 49806470 572811611 /nfs/dbraw/zinc/81/16/11/572811611.db2.gz GENOYDPJMOEVCG-RKDXNWHRSA-N 0 0 189.258 2.580 10 0 AFAERN C[C@@H]1Cc2cc(C=O)cnc2[C@H](C)C1 49806461 572811629 /nfs/dbraw/zinc/81/16/29/572811629.db2.gz JWCCVAMDEQJYKQ-DTWKUNHWSA-N 0 0 189.258 2.580 10 0 AFAERN CCc1cnc2c(c1)C[C@H](C)CC2 49805290 572811690 /nfs/dbraw/zinc/81/16/90/572811690.db2.gz XZUYHVXJYNEAJA-SECBINFHSA-N 0 0 175.275 2.769 10 0 AFAERN C[C@@H]1CC[C@@H](C)c2ncc(C=O)cc21 49806475 572811699 /nfs/dbraw/zinc/81/16/99/572811699.db2.gz QMNBREMFIDTJNR-RKDXNWHRSA-N 0 0 189.258 2.895 10 0 AFAERN CC(C)(C)CC(=O)OCC(C)(C)F 308133705 572811827 /nfs/dbraw/zinc/81/18/27/572811827.db2.gz CTHZRGNJYGNOMP-UHFFFAOYSA-N 0 0 190.258 2.714 10 0 AFAERN Cc1c(N)cc(Cl)c2c1ccn2C 75122101 572811853 /nfs/dbraw/zinc/81/18/53/572811853.db2.gz CRYCMVFYYGPMQQ-UHFFFAOYSA-N 0 0 194.665 2.722 10 0 AFAERN CC(C)C[C@H](C)CN1CCCCO1 308133747 572812039 /nfs/dbraw/zinc/81/20/39/572812039.db2.gz CWNFRDMWEHRUFT-NSHDSACASA-N 0 0 185.311 2.696 10 0 AFAERN Cc1ccc(COC(=O)C(C)C)s1 308133512 572812075 /nfs/dbraw/zinc/81/20/75/572812075.db2.gz COIOYMYDDIZTHE-UHFFFAOYSA-N 0 0 198.287 2.756 10 0 AFAERN Cc1ccc(Cl)c2c(N)cn(C)c12 75122092 572812127 /nfs/dbraw/zinc/81/21/27/572812127.db2.gz XMGPOWAYIHMHQN-UHFFFAOYSA-N 0 0 194.665 2.722 10 0 AFAERN Cc1cc2c(N)ccc(Cl)c2n1C 75122076 572812224 /nfs/dbraw/zinc/81/22/24/572812224.db2.gz WVZIHJSKVJFLPI-UHFFFAOYSA-N 0 0 194.665 2.722 10 0 AFAERN C/C=C(/CC)C(=O)OCC(C)C 307944464 572812294 /nfs/dbraw/zinc/81/22/94/572812294.db2.gz HBRLTFWIWMUTPA-UITAMQMPSA-N 0 0 170.252 2.542 10 0 AFAERN Cc1c(Cl)ccc2c(N)cn(C)c12 75122088 572812313 /nfs/dbraw/zinc/81/23/13/572812313.db2.gz BXECSLFMGDRAKQ-UHFFFAOYSA-N 0 0 194.665 2.722 10 0 AFAERN CC[C@H](C)C(=O)OC1(C)CCC1 307945037 572812473 /nfs/dbraw/zinc/81/24/73/572812473.db2.gz HWBSSPLUQPBJKN-QMMMGPOBSA-N 0 0 170.252 2.518 10 0 AFAERN C[C@@H]1CC[C@@H](C)c2ncc(CO)cc21 49806758 572812510 /nfs/dbraw/zinc/81/25/10/572812510.db2.gz PLPRUFFHTVHIKT-RKDXNWHRSA-N 0 0 191.274 2.575 10 0 AFAERN CC[NH2+][C@H](c1sccc1F)C1CC1 308139214 572812520 /nfs/dbraw/zinc/81/25/20/572812520.db2.gz QWUDHAYWRBRESM-VIFPVBQESA-N 0 0 199.294 2.948 10 0 AFAERN CC(C)[C@H](CCCCF)[C@H](C)O 308133556 572812622 /nfs/dbraw/zinc/81/26/22/572812622.db2.gz YWWBDYRJOODFBT-UWVGGRQHSA-N 0 0 176.275 2.779 10 0 AFAERN C[C@@H](CSC(C)(C)C)[NH+]1CCC1 307943914 572812624 /nfs/dbraw/zinc/81/26/24/572812624.db2.gz GDOJJMCLOYOCGV-VIFPVBQESA-N 0 0 187.352 2.612 10 0 AFAERN CCCCCOc1ccncc1C 308133379 572812684 /nfs/dbraw/zinc/81/26/84/572812684.db2.gz LSTJZQYYSNJLLR-UHFFFAOYSA-N 0 0 179.263 2.959 10 0 AFAERN CC[C@@H](C)C(=O)OC1(C)CCC1 307945036 572812713 /nfs/dbraw/zinc/81/27/13/572812713.db2.gz HWBSSPLUQPBJKN-MRVPVSSYSA-N 0 0 170.252 2.518 10 0 AFAERN C[C@H]1CC[C@@H](C)c2cc(CO)cnc21 49806756 572812770 /nfs/dbraw/zinc/81/27/70/572812770.db2.gz PLPRUFFHTVHIKT-BDAKNGLRSA-N 0 0 191.274 2.575 10 0 AFAERN CCOc1ccc([C@H]2CCCO2)cc1 49806892 572812775 /nfs/dbraw/zinc/81/27/75/572812775.db2.gz QIEQYJYXIWZOQZ-GFCCVEGCSA-N 0 0 192.258 2.937 10 0 AFAERN CC1=CCCC[C@H](O)C=CCC1 307945190 572812799 /nfs/dbraw/zinc/81/27/99/572812799.db2.gz YIFDTUVRYJLNAL-LLVKDONJSA-N 0 0 166.264 2.814 10 0 AFAERN CC(C)[C@H](CCCCF)[C@@H](C)O 308133558 572812871 /nfs/dbraw/zinc/81/28/71/572812871.db2.gz YWWBDYRJOODFBT-ZJUUUORDSA-N 0 0 176.275 2.779 10 0 AFAERN CCOc1ccc(O)cc1C(C)C 71452703 572813066 /nfs/dbraw/zinc/81/30/66/572813066.db2.gz OYTQWQOISCDZDE-UHFFFAOYSA-N 0 0 180.247 2.914 10 0 AFAERN CC(C)COC(=O)C[C@@H]1C=CCC1 308133685 572813068 /nfs/dbraw/zinc/81/30/68/572813068.db2.gz CRZAQPKQVZGHNM-SNVBAGLBSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)[C@@H](CCCCF)[C@H](C)O 308133557 572813259 /nfs/dbraw/zinc/81/32/59/572813259.db2.gz YWWBDYRJOODFBT-VHSXEESVSA-N 0 0 176.275 2.779 10 0 AFAERN Cc1ccc(CC(C)(C)CO)c(C)c1 49806912 572813509 /nfs/dbraw/zinc/81/35/09/572813509.db2.gz GCHOQZBZXZCNQM-UHFFFAOYSA-N 0 0 192.302 2.864 10 0 AFAERN CC(C)COC(=O)C[C@H]1C=CCC1 308133684 572813547 /nfs/dbraw/zinc/81/35/47/572813547.db2.gz CRZAQPKQVZGHNM-JTQLQIEISA-N 0 0 182.263 2.542 10 0 AFAERN CC[NH2+][C@@H](c1sccc1F)C1CC1 308139213 572813555 /nfs/dbraw/zinc/81/35/55/572813555.db2.gz QWUDHAYWRBRESM-SECBINFHSA-N 0 0 199.294 2.948 10 0 AFAERN CC(C)[C@@H](CCCCF)[C@@H](C)O 308133545 572813574 /nfs/dbraw/zinc/81/35/74/572813574.db2.gz YWWBDYRJOODFBT-NXEZZACHSA-N 0 0 176.275 2.779 10 0 AFAERN Cc1ccc(C)c(CC(C)(C)CO)c1 49806910 572813644 /nfs/dbraw/zinc/81/36/44/572813644.db2.gz IVCOGRINBMYWJH-UHFFFAOYSA-N 0 0 192.302 2.864 10 0 AFAERN O[C@@H](CCC1CC1)[C@@H]1CC=CCC1 236526677 572813680 /nfs/dbraw/zinc/81/36/80/572813680.db2.gz FPYUIZJBHPYMPU-NEPJUHHUSA-N 0 0 180.291 2.894 10 0 AFAERN CCc1ccc(C2OCCCO2)cc1 49806879 572813699 /nfs/dbraw/zinc/81/36/99/572813699.db2.gz CFSYJVPKZJJJGO-UHFFFAOYSA-N 0 0 192.258 2.685 10 0 AFAERN C[C@H]1CC[C@H](C)c2ncc(CO)cc21 49806757 572813789 /nfs/dbraw/zinc/81/37/89/572813789.db2.gz PLPRUFFHTVHIKT-IUCAKERBSA-N 0 0 191.274 2.575 10 0 AFAERN CC(C)C[C@@H](C)CN1CCCCO1 308133746 572813915 /nfs/dbraw/zinc/81/39/15/572813915.db2.gz CWNFRDMWEHRUFT-LLVKDONJSA-N 0 0 185.311 2.696 10 0 AFAERN CC(C)CCCOC(=O)C(C)(C)F 308133724 572813955 /nfs/dbraw/zinc/81/39/55/572813955.db2.gz CUDWONQMTJNHAY-UHFFFAOYSA-N 0 0 190.258 2.714 10 0 AFAERN CCOc1ccc([C@@H]2CCCO2)cc1 49806891 572814419 /nfs/dbraw/zinc/81/44/19/572814419.db2.gz QIEQYJYXIWZOQZ-LBPRGKRZSA-N 0 0 192.258 2.937 10 0 AFAERN C[C@H]1CC[C@@H](C)c2ncc(CO)cc21 49806759 572814124 /nfs/dbraw/zinc/81/41/24/572814124.db2.gz PLPRUFFHTVHIKT-DTWKUNHWSA-N 0 0 191.274 2.575 10 0 AFAERN Nc1c[nH]cc1-c1cc2ccccc2[nH]1 75123750 572814560 /nfs/dbraw/zinc/81/45/60/572814560.db2.gz QTEYENIKHWRSAL-UHFFFAOYSA-N 0 0 197.241 2.745 10 0 AFAERN C[C@@H]1CC[C@H]([C@@H](O)CCCCF)C1 308134186 572814789 /nfs/dbraw/zinc/81/47/89/572814789.db2.gz HDBWGDPYGMUQBB-VWYCJHECSA-N 0 0 188.286 2.923 10 0 AFAERN Cc1cc2c([nH]c1=O)[C@@H](C)CC[C@H]2C 49806781 572815062 /nfs/dbraw/zinc/81/50/62/572815062.db2.gz HNAMTEBSVJDKPN-SFYZADRCSA-N 0 0 191.274 2.684 10 0 AFAERN Cc1cc2c([nH]c1=O)[C@H](C)CC[C@H]2C 49806780 572815130 /nfs/dbraw/zinc/81/51/30/572815130.db2.gz HNAMTEBSVJDKPN-HTQZYQBOSA-N 0 0 191.274 2.684 10 0 AFAERN C[C@@H]1CC[C@@H]([C@@H](O)CCCCF)C1 308134182 572815133 /nfs/dbraw/zinc/81/51/33/572815133.db2.gz HDBWGDPYGMUQBB-MXWKQRLJSA-N 0 0 188.286 2.923 10 0 AFAERN CC(C)[C@@H]1CNc2sccc2N1C 75123325 572815317 /nfs/dbraw/zinc/81/53/17/572815317.db2.gz RAIXLKNLNYAFSQ-VIFPVBQESA-N 0 0 196.319 2.634 10 0 AFAERN Cc1cc([C@H]2CCC(=O)O2)ccc1F 49807327 572815329 /nfs/dbraw/zinc/81/53/29/572815329.db2.gz KJXGEOAQHOXPSQ-SNVBAGLBSA-N 0 0 194.205 2.512 10 0 AFAERN CC(C)COC(=O)[C@@H]1CCC[C@H]1C 308135071 572817596 /nfs/dbraw/zinc/81/75/96/572817596.db2.gz DTIXTUJEPRRXRS-NXEZZACHSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)CCOC(=O)C1CC(C)C1 308134376 572815503 /nfs/dbraw/zinc/81/55/03/572815503.db2.gz DDYYWBACJVUKQO-UHFFFAOYSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)[C@H]1CNc2sccc2N1C 75123328 572815635 /nfs/dbraw/zinc/81/56/35/572815635.db2.gz RAIXLKNLNYAFSQ-SECBINFHSA-N 0 0 196.319 2.634 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)CCCCF)C1 308134184 572815997 /nfs/dbraw/zinc/81/59/97/572815997.db2.gz HDBWGDPYGMUQBB-OUAUKWLOSA-N 0 0 188.286 2.923 10 0 AFAERN CC(C)[C@H]1CNc2cscc2N1C 75123322 572816060 /nfs/dbraw/zinc/81/60/60/572816060.db2.gz DBVVYUVMOPCCQM-SECBINFHSA-N 0 0 196.319 2.634 10 0 AFAERN CC(C)SC[C@@H](O)CCCCF 308134026 572816455 /nfs/dbraw/zinc/81/64/55/572816455.db2.gz ZBJSQRWKZJPUCW-VIFPVBQESA-N 0 0 194.315 2.629 10 0 AFAERN Nc1c[nH]c(-c2cc3ccccc3[nH]2)c1 75123754 572817013 /nfs/dbraw/zinc/81/70/13/572817013.db2.gz GPKSCFJCXNBCMF-UHFFFAOYSA-N 0 0 197.241 2.745 10 0 AFAERN Cc1ccc(C(=O)CCCCF)o1 308134534 572816696 /nfs/dbraw/zinc/81/66/96/572816696.db2.gz HJLFRMLPAJKFAP-UHFFFAOYSA-N 0 0 184.210 2.911 10 0 AFAERN CC(C)SC[C@H](O)CCCCF 308134025 572816914 /nfs/dbraw/zinc/81/69/14/572816914.db2.gz ZBJSQRWKZJPUCW-SECBINFHSA-N 0 0 194.315 2.629 10 0 AFAERN CCCCC[C@](C)(O)C1=COCC1 308135877 572817563 /nfs/dbraw/zinc/81/75/63/572817563.db2.gz OGDZFUACVFXJHN-NSHDSACASA-N 0 0 184.279 2.622 10 0 AFAERN Cn1cc(-c2cccs2)cc1C=O 75119592 572817776 /nfs/dbraw/zinc/81/77/76/572817776.db2.gz PCNOASPAHHXRPJ-UHFFFAOYSA-N 0 0 191.255 2.566 10 0 AFAERN CC(C)COC(=O)[C@H]1CCC[C@H]1C 308135074 572817810 /nfs/dbraw/zinc/81/78/10/572817810.db2.gz DTIXTUJEPRRXRS-ZJUUUORDSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)CC[S@@](=O)[C@@H](C)C(C)C 308135358 572817850 /nfs/dbraw/zinc/81/78/50/572817850.db2.gz ZNIFFDFZSNNRPM-CMPLNLGQSA-N 0 0 190.352 2.826 10 0 AFAERN CC(C)CCC[C@]1(C)CC[C@@H]1O 308135890 572818103 /nfs/dbraw/zinc/81/81/03/572818103.db2.gz ZRGTUXLTWXJRPC-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(NCCCCF)nc1 308135199 572818110 /nfs/dbraw/zinc/81/81/10/572818110.db2.gz NPKJHUYEDWWLGD-UHFFFAOYSA-N 0 0 182.242 2.552 10 0 AFAERN CC(C)COC(=O)[C@@H]1CCC[C@@H]1C 308135073 572818155 /nfs/dbraw/zinc/81/81/55/572818155.db2.gz DTIXTUJEPRRXRS-VHSXEESVSA-N 0 0 184.279 2.622 10 0 AFAERN CC(=O)SCC1(C(F)(F)F)CC1 307947760 572818395 /nfs/dbraw/zinc/81/83/95/572818395.db2.gz OFKFRDOGPKHRQA-UHFFFAOYSA-N 0 0 198.209 2.609 10 0 AFAERN CC(C)C(C)(C)C(=O)OC1CCC1 308135922 572818481 /nfs/dbraw/zinc/81/84/81/572818481.db2.gz FITVMLOQIACGJU-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)CCC[C@]1(C)CC[C@H]1O 308135810 572818756 /nfs/dbraw/zinc/81/87/56/572818756.db2.gz ZRGTUXLTWXJRPC-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)CCC[C@@]1(C)CC[C@H]1O 308135835 572818861 /nfs/dbraw/zinc/81/88/61/572818861.db2.gz ZRGTUXLTWXJRPC-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN Cn1c(C2CC2)c(C=O)c2ccccc21 238562088 572818913 /nfs/dbraw/zinc/81/89/13/572818913.db2.gz HPVKICZGDCTFOZ-UHFFFAOYSA-N 0 0 199.253 2.868 10 0 AFAERN Cc1occc1C(=O)CCCCF 308135957 572818976 /nfs/dbraw/zinc/81/89/76/572818976.db2.gz IFFRCRARHKFOFU-UHFFFAOYSA-N 0 0 184.210 2.911 10 0 AFAERN CC(C)COC(=O)[C@H]1CCC[C@@H]1C 308135072 572819022 /nfs/dbraw/zinc/81/90/22/572819022.db2.gz DTIXTUJEPRRXRS-UWVGGRQHSA-N 0 0 184.279 2.622 10 0 AFAERN CCCCC[C@@](C)(O)C1=COCC1 308135874 572819226 /nfs/dbraw/zinc/81/92/26/572819226.db2.gz OGDZFUACVFXJHN-LLVKDONJSA-N 0 0 184.279 2.622 10 0 AFAERN Cn1cccc1-c1csc(C=O)c1 75119597 572819274 /nfs/dbraw/zinc/81/92/74/572819274.db2.gz BADWUPIPMJCCKB-UHFFFAOYSA-N 0 0 191.255 2.566 10 0 AFAERN CC(C)CCC[C@@]1(C)CC[C@@H]1O 308135864 572819311 /nfs/dbraw/zinc/81/93/11/572819311.db2.gz ZRGTUXLTWXJRPC-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN Cn1cc(C=O)c(CC2CCCC2)c1 75119619 572819425 /nfs/dbraw/zinc/81/94/25/572819425.db2.gz BAHMTHPCZHYNGW-UHFFFAOYSA-N 0 0 191.274 2.570 10 0 AFAERN CC(C)CCCOC(=O)CC1CC1 308135041 572819462 /nfs/dbraw/zinc/81/94/62/572819462.db2.gz DSDYVVLIQYGYGP-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)CC[S@](=O)[C@@H](C)C(C)C 308135359 572819567 /nfs/dbraw/zinc/81/95/67/572819567.db2.gz ZNIFFDFZSNNRPM-JQWIXIFHSA-N 0 0 190.352 2.826 10 0 AFAERN Cc1cc(C=O)c(C2CCCC2)n1C 75119627 572819642 /nfs/dbraw/zinc/81/96/42/572819642.db2.gz HDBGSAYYROVZET-UHFFFAOYSA-N 0 0 191.274 2.804 10 0 AFAERN c1ccc2oc(=Nn3cccc3)[nH]c2c1 85832244 572820214 /nfs/dbraw/zinc/82/02/14/572820214.db2.gz VVHNQDGMAGMILM-UHFFFAOYSA-N 0 0 199.213 2.505 10 0 AFAERN CC(C)CC[S@](=O)[C@H](C)C(C)C 308135360 572819720 /nfs/dbraw/zinc/81/97/20/572819720.db2.gz ZNIFFDFZSNNRPM-PWSUYJOCSA-N 0 0 190.352 2.826 10 0 AFAERN O=C(CCCCF)CC(F)(F)F 308135947 572819745 /nfs/dbraw/zinc/81/97/45/572819745.db2.gz ZSDFRTZRYJGYAS-UHFFFAOYSA-N 0 0 186.148 2.648 10 0 AFAERN Cn1cccc1-c1ccsc1C=O 75119594 572819807 /nfs/dbraw/zinc/81/98/07/572819807.db2.gz LJRTUEHABOHDJA-UHFFFAOYSA-N 0 0 191.255 2.566 10 0 AFAERN CCCCCn1ccc(C(C)=O)c1 85832865 572819815 /nfs/dbraw/zinc/81/98/15/572819815.db2.gz PGZCMBPCMPVWIU-UHFFFAOYSA-N 0 0 179.263 2.881 10 0 AFAERN CC(C)CC[S@@](=O)[C@H](C)C(C)C 308135361 572819850 /nfs/dbraw/zinc/81/98/50/572819850.db2.gz ZNIFFDFZSNNRPM-ZYHUDNBSSA-N 0 0 190.352 2.826 10 0 AFAERN Cc1cccnc1[C@H](O)C1CCCC1 49850074 572819969 /nfs/dbraw/zinc/81/99/69/572819969.db2.gz ULYANSPINGSJQA-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CC[C@@H](C)Cn1ccc(C(C)=O)c1 85832805 572819991 /nfs/dbraw/zinc/81/99/91/572819991.db2.gz VZNVKJLXFQXSMW-SECBINFHSA-N 0 0 179.263 2.737 10 0 AFAERN C[C@H](CNOC(C)(C)C)C(C)(C)C 308135936 572820051 /nfs/dbraw/zinc/82/00/51/572820051.db2.gz IELLICZATGBKDR-SECBINFHSA-N 0 0 187.327 2.988 10 0 AFAERN CC[C@@H](C)Cn1cccc1[C@H](C)O 85833572 572820082 /nfs/dbraw/zinc/82/00/82/572820082.db2.gz XAXDMTPATLRPQK-ZJUUUORDSA-N 0 0 181.279 2.588 10 0 AFAERN CCCC[C@@H]1C[C@@H](C)CC[C@@H]1O 49852416 572820090 /nfs/dbraw/zinc/82/00/90/572820090.db2.gz GUHWAUKVBODFIL-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN O[C@@H](CCC1CC1)[C@H]1CC=CCC1 236526534 572820114 /nfs/dbraw/zinc/82/01/14/572820114.db2.gz FPYUIZJBHPYMPU-RYUDHWBXSA-N 0 0 180.291 2.894 10 0 AFAERN Cn1cc(C=O)cc1CC1CCCC1 75119630 572820185 /nfs/dbraw/zinc/82/01/85/572820185.db2.gz ZMGIMCKJAYHUHV-UHFFFAOYSA-N 0 0 191.274 2.570 10 0 AFAERN CCC[C@H](C)Cn1cccc1[C@@H](C)O 85833146 572820285 /nfs/dbraw/zinc/82/02/85/572820285.db2.gz ULKYHVYHLFRSBF-WDEREUQCSA-N 0 0 195.306 2.978 10 0 AFAERN CCCCCn1cccc1[C@@H](C)O 85833457 572820328 /nfs/dbraw/zinc/82/03/28/572820328.db2.gz PUTKIDQFWQJBIQ-SNVBAGLBSA-N 0 0 181.279 2.732 10 0 AFAERN C[C@]12C=C[C@](C)(CC1)C(=O)CC2 196954087 572820553 /nfs/dbraw/zinc/82/05/53/572820553.db2.gz YKRRCQKDFJAWKA-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)CCCc1ccc(Cl)o1 75119352 572820558 /nfs/dbraw/zinc/82/05/58/572820558.db2.gz IPGLGBZSLKQQOW-UHFFFAOYSA-N 0 0 186.638 2.845 10 0 AFAERN CC(C)(C)c1cccc(CO)c1F 196951684 572820563 /nfs/dbraw/zinc/82/05/63/572820563.db2.gz PVYALUZGMUFFFA-UHFFFAOYSA-N 0 0 182.238 2.616 10 0 AFAERN Cn1c(C=O)ccc1C1CCCCC1 75119616 572820619 /nfs/dbraw/zinc/82/06/19/572820619.db2.gz MNKRNLRYDIDRFB-UHFFFAOYSA-N 0 0 191.274 2.885 10 0 AFAERN C[C@@]12C=C[C@@](C)(CC1)C(=O)CC2 196954123 572820668 /nfs/dbraw/zinc/82/06/68/572820668.db2.gz YKRRCQKDFJAWKA-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN COC1(OC)CCCCC1=C1CC1 205682733 572820682 /nfs/dbraw/zinc/82/06/82/572820682.db2.gz OTIDAJWCCHMSSK-UHFFFAOYSA-N 0 0 182.263 2.640 10 0 AFAERN CC(=O)c1cccn1CCC(C)C 85832627 572820712 /nfs/dbraw/zinc/82/07/12/572820712.db2.gz WVJZUINTEGGLPK-UHFFFAOYSA-N 0 0 179.263 2.737 10 0 AFAERN CCC[C@@H](C)Cn1cccc1[C@@H](C)O 85833145 572820723 /nfs/dbraw/zinc/82/07/23/572820723.db2.gz ULKYHVYHLFRSBF-GHMZBOCLSA-N 0 0 195.306 2.978 10 0 AFAERN Cn1c(-c2ccccc2)cc2c1CCN2 75124493 572821292 /nfs/dbraw/zinc/82/12/92/572821292.db2.gz ZGGDAWQEQPCSKY-UHFFFAOYSA-N 0 0 198.269 2.660 10 0 AFAERN Cc1ccc(-c2cnccc2CO)cc1 238561310 572820817 /nfs/dbraw/zinc/82/08/17/572820817.db2.gz MXEDDYKMTAEDHH-UHFFFAOYSA-N 0 0 199.253 2.549 10 0 AFAERN CC[C@@H](Nn1c(C)ccc1C)C1CC1 85829685 572820898 /nfs/dbraw/zinc/82/08/98/572820898.db2.gz OZPUBGCYYKENJB-GFCCVEGCSA-N 0 0 192.306 2.837 10 0 AFAERN Oc1cccc2c1[C@@H]1CCCC[C@@H]1O2 49853495 572820904 /nfs/dbraw/zinc/82/09/04/572820904.db2.gz CKCIFYXGFZMLKQ-SCZZXKLOSA-N 0 0 190.242 2.811 10 0 AFAERN CCC[C@H](C)Nn1c(C)ccc1C 85829814 572820985 /nfs/dbraw/zinc/82/09/85/572820985.db2.gz CRJKSLDSRRGLDI-VIFPVBQESA-N 0 0 180.295 2.837 10 0 AFAERN CCCC[C@@H]1C[C@H](C)CC[C@@H]1O 49852414 572821028 /nfs/dbraw/zinc/82/10/28/572821028.db2.gz GUHWAUKVBODFIL-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCCn1cccc1[C@H](C)O 85833458 572821033 /nfs/dbraw/zinc/82/10/33/572821033.db2.gz PUTKIDQFWQJBIQ-JTQLQIEISA-N 0 0 181.279 2.732 10 0 AFAERN CCCCCNn1c(C)ccc1C 85829823 572821072 /nfs/dbraw/zinc/82/10/72/572821072.db2.gz CAIRTERJQSVCID-UHFFFAOYSA-N 0 0 180.295 2.839 10 0 AFAERN CCCCC(=O)O[C@H](C)C(C)C 307948388 572821076 /nfs/dbraw/zinc/82/10/76/572821076.db2.gz ALJFTQUDMJVVEY-SECBINFHSA-N 0 0 172.268 2.764 10 0 AFAERN C[C@@H]1Oc2c(ccc3ccccc23)C1=O 49850988 572821080 /nfs/dbraw/zinc/82/10/80/572821080.db2.gz INUVEALVLUGEKK-QMMMGPOBSA-N 0 0 198.221 2.803 10 0 AFAERN Cc1cccnc1[C@@H](O)C1CCCC1 49850076 572821092 /nfs/dbraw/zinc/82/10/92/572821092.db2.gz ULYANSPINGSJQA-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN Cc1cc(O)c(C(C)C)cc1[C@H](C)O 71455997 572821140 /nfs/dbraw/zinc/82/11/40/572821140.db2.gz SFVLOLIYBKTMKX-VIFPVBQESA-N 0 0 194.274 2.877 10 0 AFAERN CC[C@H](C)CNn1c(C)ccc1C 85829821 572821221 /nfs/dbraw/zinc/82/12/21/572821221.db2.gz XSSZGLDZDVYMGI-VIFPVBQESA-N 0 0 180.295 2.695 10 0 AFAERN CCC[C@@H](C)Nn1c(C)ccc1C 85829812 572821284 /nfs/dbraw/zinc/82/12/84/572821284.db2.gz CRJKSLDSRRGLDI-SECBINFHSA-N 0 0 180.295 2.837 10 0 AFAERN CCC(=O)c1c(C)cc(O)c(C)c1C 71456293 572821346 /nfs/dbraw/zinc/82/13/46/572821346.db2.gz GUYVLSPTGXOXBF-UHFFFAOYSA-N 0 0 192.258 2.910 10 0 AFAERN Cc1cc(OC(C)C)c(C)c(C)c1N 71456463 572821405 /nfs/dbraw/zinc/82/14/05/572821405.db2.gz GRDMZADIGVVTSF-UHFFFAOYSA-N 0 0 193.290 2.981 10 0 AFAERN CC(C)CCn1cccc1[C@H](C)O 85833318 572821473 /nfs/dbraw/zinc/82/14/73/572821473.db2.gz RYCKKTHZTOUKKY-JTQLQIEISA-N 0 0 181.279 2.588 10 0 AFAERN C[C@@H](O)c1cccn1CCC(C)(C)C 85833285 572821506 /nfs/dbraw/zinc/82/15/06/572821506.db2.gz LVTCSMXOYYEOGY-SNVBAGLBSA-N 0 0 195.306 2.978 10 0 AFAERN CCOc1cc(C)c(N)c(C)c1C 71456406 572821528 /nfs/dbraw/zinc/82/15/28/572821528.db2.gz IYDFFTXDMLXPEE-UHFFFAOYSA-N 0 0 179.263 2.593 10 0 AFAERN CCCC(=O)c1cc(C)oc1C 49844621 572821531 /nfs/dbraw/zinc/82/15/31/572821531.db2.gz NDYJHCWDBNZCEN-UHFFFAOYSA-N 0 0 166.220 2.879 10 0 AFAERN Fc1ccc(CCCOC2CC2)cc1 238558008 572824391 /nfs/dbraw/zinc/82/43/91/572824391.db2.gz WFESGRQKULLPHK-UHFFFAOYSA-N 0 0 194.249 2.937 10 0 AFAERN Cc1cccc(C)c1NC1CSC1 75121292 572821666 /nfs/dbraw/zinc/82/16/66/572821666.db2.gz IEFJKKORDSYUFB-UHFFFAOYSA-N 0 0 193.315 2.831 10 0 AFAERN C[C@H](O)c1cccn1CCC(C)(C)C 85833283 572821669 /nfs/dbraw/zinc/82/16/69/572821669.db2.gz LVTCSMXOYYEOGY-JTQLQIEISA-N 0 0 195.306 2.978 10 0 AFAERN Oc1cccc2c1[C@H]1CCCC[C@@H]1O2 49853493 572821682 /nfs/dbraw/zinc/82/16/82/572821682.db2.gz CKCIFYXGFZMLKQ-WPRPVWTQSA-N 0 0 190.242 2.811 10 0 AFAERN C[C@H](O)c1c(Cl)[nH]c2ccccc12 71464892 572821743 /nfs/dbraw/zinc/82/17/43/572821743.db2.gz REZJAQVEHBYJGH-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN CC[C@@H](C)Cn1cccc1[C@@H](C)O 85833568 572821755 /nfs/dbraw/zinc/82/17/55/572821755.db2.gz XAXDMTPATLRPQK-NXEZZACHSA-N 0 0 181.279 2.588 10 0 AFAERN CC(C)c1cc([C@H](C)O)ccc1O 71455755 572821758 /nfs/dbraw/zinc/82/17/58/572821758.db2.gz VPFFFQLIPJMKFW-QMMMGPOBSA-N 0 0 180.247 2.569 10 0 AFAERN CC[C@H](Nn1c(C)ccc1C)C1CC1 85829684 572821761 /nfs/dbraw/zinc/82/17/61/572821761.db2.gz OZPUBGCYYKENJB-LBPRGKRZSA-N 0 0 192.306 2.837 10 0 AFAERN CC[C@@H](C)CNn1c(C)ccc1C 85829818 572821779 /nfs/dbraw/zinc/82/17/79/572821779.db2.gz XSSZGLDZDVYMGI-SECBINFHSA-N 0 0 180.295 2.695 10 0 AFAERN CC(C)C[C@@H]1CNc2cocc2N1C 75121787 572821802 /nfs/dbraw/zinc/82/18/02/572821802.db2.gz ALGPKHRNHLJIHM-SECBINFHSA-N 0 0 194.278 2.556 10 0 AFAERN CC[C@@H](C)Cn1cccc1C(C)=O 85832508 572821835 /nfs/dbraw/zinc/82/18/35/572821835.db2.gz VTOLTPGMXOKEBV-SECBINFHSA-N 0 0 179.263 2.737 10 0 AFAERN Cn1c(C=O)cc2ccc(Cl)cc21 75121308 572821859 /nfs/dbraw/zinc/82/18/59/572821859.db2.gz QSCFXCVRVVNGAG-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN CCC[C@H](C)Cn1cccc1[C@H](C)O 85833151 572821908 /nfs/dbraw/zinc/82/19/08/572821908.db2.gz ULKYHVYHLFRSBF-QWRGUYRKSA-N 0 0 195.306 2.978 10 0 AFAERN CC[C@H](C)Cn1cccc1[C@@H](C)O 85833570 572821933 /nfs/dbraw/zinc/82/19/33/572821933.db2.gz XAXDMTPATLRPQK-VHSXEESVSA-N 0 0 181.279 2.588 10 0 AFAERN CCc1cc(OC(C)C)ccc1N 71463448 572821940 /nfs/dbraw/zinc/82/19/40/572821940.db2.gz VMROFMHAWFKHAL-UHFFFAOYSA-N 0 0 179.263 2.618 10 0 AFAERN CC[C@H](C)Cn1ccc(C(C)=O)c1 85832807 572821944 /nfs/dbraw/zinc/82/19/44/572821944.db2.gz VZNVKJLXFQXSMW-VIFPVBQESA-N 0 0 179.263 2.737 10 0 AFAERN Cc1cccc([C@H](CF)[NH2+]C2CC2)c1 107136665 572822067 /nfs/dbraw/zinc/82/20/67/572822067.db2.gz GETBCPWEXHZBLQ-LBPRGKRZSA-N 0 0 193.265 2.758 10 0 AFAERN CC[C@@H](O)c1ccc(O)c(C(C)C)c1 71455757 572822124 /nfs/dbraw/zinc/82/21/24/572822124.db2.gz KDMUPOZNRJRVQQ-LLVKDONJSA-N 0 0 194.274 2.959 10 0 AFAERN CCCCCn1cccc1C(C)=O 85832563 572822136 /nfs/dbraw/zinc/82/21/36/572822136.db2.gz PNMOHEXAWIMQKD-UHFFFAOYSA-N 0 0 179.263 2.881 10 0 AFAERN CC(C)c1cc([C@@H](C)O)ccc1O 71455754 572822140 /nfs/dbraw/zinc/82/21/40/572822140.db2.gz VPFFFQLIPJMKFW-MRVPVSSYSA-N 0 0 180.247 2.569 10 0 AFAERN CC(C)C[C@@H]1C[C@H](C)CC[C@@H]1O 49852418 572822141 /nfs/dbraw/zinc/82/21/41/572822141.db2.gz UVVPUWGVJNNPML-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](C)[C@H](O)C1CCSCC1 389942203 572827102 /nfs/dbraw/zinc/82/71/02/572827102.db2.gz HGDIUSRIPYIRQW-WPRPVWTQSA-N 0 0 188.336 2.537 10 0 AFAERN Cc1ccc2c(c1C)NC[C@H](C)C2=O 71481853 572826617 /nfs/dbraw/zinc/82/66/17/572826617.db2.gz KEIRUHRMFXRQQX-QMMMGPOBSA-N 0 0 189.258 2.548 10 0 AFAERN C(=C/c1ccccc1)\CNn1cccc1 85830561 572822285 /nfs/dbraw/zinc/82/22/85/572822285.db2.gz CEDVJCPEZXVACK-RMKNXTFCSA-N 0 0 198.269 2.745 10 0 AFAERN Cc1ccc2c(CO)c(Cl)[nH]c2c1 71466329 572822286 /nfs/dbraw/zinc/82/22/86/572822286.db2.gz OCCNNJAHARZRFG-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CC(C)CCn1cccc1[C@@H](C)O 85833316 572822365 /nfs/dbraw/zinc/82/23/65/572822365.db2.gz RYCKKTHZTOUKKY-SNVBAGLBSA-N 0 0 181.279 2.588 10 0 AFAERN Cc1ccc(C)n1NCCC(C)C 85829664 572822369 /nfs/dbraw/zinc/82/23/69/572822369.db2.gz YATOZVHSGKBVTO-UHFFFAOYSA-N 0 0 180.295 2.695 10 0 AFAERN CCC[C@@H](C)Cn1cccc1[C@H](C)O 85833148 572822446 /nfs/dbraw/zinc/82/24/46/572822446.db2.gz ULKYHVYHLFRSBF-MNOVXSKESA-N 0 0 195.306 2.978 10 0 AFAERN Cn1ccc2c(Cl)cc(C=O)cc21 75121301 572822482 /nfs/dbraw/zinc/82/24/82/572822482.db2.gz UQLSUOBBQLRECD-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN CC(C)Oc1ccc(F)cc1[C@@H](C)O 71464818 572822505 /nfs/dbraw/zinc/82/25/05/572822505.db2.gz GTEHYZXVMXXQLE-MRVPVSSYSA-N 0 0 198.237 2.666 10 0 AFAERN CCc1cccc2c1NCC[C@H]2OC 71480046 572827079 /nfs/dbraw/zinc/82/70/79/572827079.db2.gz OIMBZEYWKGWPDG-LLVKDONJSA-N 0 0 191.274 2.752 10 0 AFAERN Cc1ccc2c(C=O)c(Cl)[nH]c2c1 71466327 572822580 /nfs/dbraw/zinc/82/25/80/572822580.db2.gz PSIXVRSAWMSTFI-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN Cc1cnc(NC2CCC(C)CC2)o1 75121696 572822583 /nfs/dbraw/zinc/82/25/83/572822583.db2.gz QOWCGPHTAPZLOC-UHFFFAOYSA-N 0 0 194.278 2.974 10 0 AFAERN CC[C@H](C)Cn1cccc1C(C)=O 85832509 572822593 /nfs/dbraw/zinc/82/25/93/572822593.db2.gz VTOLTPGMXOKEBV-VIFPVBQESA-N 0 0 179.263 2.737 10 0 AFAERN C[C@@H]1CNc2cc(Cl)ccc2C1=O 71481831 572827107 /nfs/dbraw/zinc/82/71/07/572827107.db2.gz LVVYCBNGLMGFED-ZCFIWIBFSA-N 0 0 195.649 2.584 10 0 AFAERN Cn1ccc2c(C=O)ccc(Cl)c21 75121305 572822673 /nfs/dbraw/zinc/82/26/73/572822673.db2.gz CFUQGBDTSKNSRC-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN C/C=C(/C)[C@@H](CC)C(C)=O 210012005 572822831 /nfs/dbraw/zinc/82/28/31/572822831.db2.gz NKZNYWWHQICDME-WILPJHFFSA-N 0 0 140.226 2.568 10 0 AFAERN CC[C@H](C)Cn1cccc1[C@H](C)O 85833575 572822841 /nfs/dbraw/zinc/82/28/41/572822841.db2.gz XAXDMTPATLRPQK-UWVGGRQHSA-N 0 0 181.279 2.588 10 0 AFAERN CC[C@H](O)c1c(C)cc(O)c(C)c1C 71456320 572822850 /nfs/dbraw/zinc/82/28/50/572822850.db2.gz OXWVURFTPWOCJG-JTQLQIEISA-N 0 0 194.274 2.761 10 0 AFAERN CC(=O)c1ccn(CCC(C)C)c1 85832938 572822851 /nfs/dbraw/zinc/82/28/51/572822851.db2.gz IMMFSQQLWHVDNG-UHFFFAOYSA-N 0 0 179.263 2.737 10 0 AFAERN Cc1cc(NC2CCC(C)CC2)no1 75121690 572822861 /nfs/dbraw/zinc/82/28/61/572822861.db2.gz VZRINIVBEQURLD-UHFFFAOYSA-N 0 0 194.278 2.974 10 0 AFAERN COc1cc(C)ccc1[C@H](O)C(C)C 234859659 572822892 /nfs/dbraw/zinc/82/28/92/572822892.db2.gz KEHHRPBQWZTYOE-GFCCVEGCSA-N 0 0 194.274 2.693 10 0 AFAERN CC(C)C[C@H]1CNc2cocc2N1C 75121793 572822896 /nfs/dbraw/zinc/82/28/96/572822896.db2.gz ALGPKHRNHLJIHM-VIFPVBQESA-N 0 0 194.278 2.556 10 0 AFAERN Cn1ccc2cc(C=O)cc(Cl)c21 75121306 572822927 /nfs/dbraw/zinc/82/29/27/572822927.db2.gz XLIMTLBDAQHJLM-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN CCCn1ccc(C(=O)C(C)C)c1 85842764 572827113 /nfs/dbraw/zinc/82/71/13/572827113.db2.gz IJUKTYQKKCTRFP-UHFFFAOYSA-N 0 0 179.263 2.737 10 0 AFAERN CCCC1([C@@H](O)c2ccoc2)CC1 308144350 572823058 /nfs/dbraw/zinc/82/30/58/572823058.db2.gz NATFACBTVRMPAU-JTQLQIEISA-N 0 0 180.247 2.893 10 0 AFAERN CC[C@@H](O)c1c(C)cc(O)c(C)c1C 71456321 572823093 /nfs/dbraw/zinc/82/30/93/572823093.db2.gz OXWVURFTPWOCJG-SNVBAGLBSA-N 0 0 194.274 2.761 10 0 AFAERN Cc1cc(NC2CCC(C)CC2)n[nH]1 75121190 572823103 /nfs/dbraw/zinc/82/31/03/572823103.db2.gz YXOGSSWKQLDAJO-UHFFFAOYSA-N 0 0 193.294 2.709 10 0 AFAERN CC(C)Cn1ccc([C@H](O)C(C)C)c1 85843261 572827117 /nfs/dbraw/zinc/82/71/17/572827117.db2.gz UACQCHYJATZBPB-GFCCVEGCSA-N 0 0 195.306 2.834 10 0 AFAERN CC(C)C[C@H]1CNc2ccoc2N1C 75121799 572823162 /nfs/dbraw/zinc/82/31/62/572823162.db2.gz DROPCRYKTGTDOA-VIFPVBQESA-N 0 0 194.278 2.556 10 0 AFAERN CC[C@@H](C)Cn1ccc([C@H](O)CC)c1 85839180 572823205 /nfs/dbraw/zinc/82/32/05/572823205.db2.gz GGEAXYPBXRFKGT-ZYHUDNBSSA-N 0 0 195.306 2.978 10 0 AFAERN Cc1c(O)ccc(OC(C)C)c1C 71456673 572823235 /nfs/dbraw/zinc/82/32/35/572823235.db2.gz WRTZGNCMLIWHGZ-UHFFFAOYSA-N 0 0 180.247 2.796 10 0 AFAERN CCOc1ccc([C@@H](C)O)c(C)c1C 71456634 572823264 /nfs/dbraw/zinc/82/32/64/572823264.db2.gz BADPSFMSKMDADZ-SNVBAGLBSA-N 0 0 194.274 2.755 10 0 AFAERN Cc1cc(O)c(C(C)C)cc1[C@@H](C)O 71455996 572823317 /nfs/dbraw/zinc/82/33/17/572823317.db2.gz SFVLOLIYBKTMKX-SECBINFHSA-N 0 0 194.274 2.877 10 0 AFAERN CC(C)c1cc(Cl)cc(N)c1O 71455791 572823326 /nfs/dbraw/zinc/82/33/26/572823326.db2.gz XRPFKUMDGYBRDV-UHFFFAOYSA-N 0 0 185.654 2.751 10 0 AFAERN CC(C)CCn1ccc([C@H](C)O)c1 85834004 572823350 /nfs/dbraw/zinc/82/33/50/572823350.db2.gz XNOHVGRGIJNWAQ-JTQLQIEISA-N 0 0 181.279 2.588 10 0 AFAERN CCOc1cc(C)c(O)c(C)c1C 71456408 572823366 /nfs/dbraw/zinc/82/33/66/572823366.db2.gz FHOWSYMVVKGZTE-UHFFFAOYSA-N 0 0 180.247 2.716 10 0 AFAERN C/C=C/Cn1ccc([C@H](O)CC)c1 85838829 572823380 /nfs/dbraw/zinc/82/33/80/572823380.db2.gz BZJXEBNKLHPWPB-JOAKQRRISA-N 0 0 179.263 2.508 10 0 AFAERN CC[C@H](O)c1ccn(CC(C)C)c1 85839043 572823484 /nfs/dbraw/zinc/82/34/84/572823484.db2.gz ATDYWVBNKXTQGM-NSHDSACASA-N 0 0 181.279 2.588 10 0 AFAERN CC[C@H](O)c1ccc(OC)c(C)c1C 71456730 572823491 /nfs/dbraw/zinc/82/34/91/572823491.db2.gz GLBQBQVYPDAGJT-NSHDSACASA-N 0 0 194.274 2.755 10 0 AFAERN CC(C)C[C@@H]1CNc2ccoc2N1C 75121796 572823567 /nfs/dbraw/zinc/82/35/67/572823567.db2.gz DROPCRYKTGTDOA-SECBINFHSA-N 0 0 194.278 2.556 10 0 AFAERN CCC(=O)c1ccc(O)cc1CC 71463497 572823634 /nfs/dbraw/zinc/82/36/34/572823634.db2.gz MVPXIMYMQQKGOJ-UHFFFAOYSA-N 0 0 178.231 2.547 10 0 AFAERN CCCCC(=O)O[C@@H](C)C(C)C 307948389 572823733 /nfs/dbraw/zinc/82/37/33/572823733.db2.gz ALJFTQUDMJVVEY-VIFPVBQESA-N 0 0 172.268 2.764 10 0 AFAERN CC[C@H](C)Cn1ccc([C@H](C)O)c1 85834369 572823752 /nfs/dbraw/zinc/82/37/52/572823752.db2.gz KXJTYXKXINSIIQ-UWVGGRQHSA-N 0 0 181.279 2.588 10 0 AFAERN CC(C)CCOC(=O)CC1CCC1 308139875 572823755 /nfs/dbraw/zinc/82/37/55/572823755.db2.gz HTDHUWQZSATPCP-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN Cc1c[nH]c2c(Cl)cc(C=O)cc12 75121309 572823774 /nfs/dbraw/zinc/82/37/74/572823774.db2.gz HKZABIQXHSMRDX-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN CCOc1c(C)cc(Cl)c(C)c1N 71457138 572823865 /nfs/dbraw/zinc/82/38/65/572823865.db2.gz IZUFEWDDTWOGMF-UHFFFAOYSA-N 0 0 199.681 2.938 10 0 AFAERN Cc1n[nH]cc1NC1CCCCCC1 75121181 572823889 /nfs/dbraw/zinc/82/38/89/572823889.db2.gz VMYNVOMCKMRIPW-UHFFFAOYSA-N 0 0 193.294 2.853 10 0 AFAERN CCCCn1ccc([C@@H](O)CC)c1 85838652 572823897 /nfs/dbraw/zinc/82/38/97/572823897.db2.gz XYHMOFWQQVQINF-NSHDSACASA-N 0 0 181.279 2.732 10 0 AFAERN CC[C@H](Nn1cccc1)c1ccco1 85828223 572823832 /nfs/dbraw/zinc/82/38/32/572823832.db2.gz SRTDIQNPKSROIX-JTQLQIEISA-N 0 0 190.246 2.776 10 0 AFAERN Cn1ccc2cc(Cl)c(C=O)cc21 75121299 572823930 /nfs/dbraw/zinc/82/39/30/572823930.db2.gz JCIZUTMWCWXAMV-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN CCSc1ccc(C)cc1O 71454348 572823990 /nfs/dbraw/zinc/82/39/90/572823990.db2.gz KMBMHFFTWMMXQM-UHFFFAOYSA-N 0 0 168.261 2.813 10 0 AFAERN Cn1cc(N)cc1CC1CCCCC1 75120608 572823994 /nfs/dbraw/zinc/82/39/94/572823994.db2.gz DIXRIWPIICJLNP-UHFFFAOYSA-N 0 0 192.306 2.730 10 0 AFAERN CC1(C)CCC(Nc2cc[nH]n2)CC1 75121192 572824010 /nfs/dbraw/zinc/82/40/10/572824010.db2.gz DEEYCMIIEWWEMV-UHFFFAOYSA-N 0 0 193.294 2.790 10 0 AFAERN CC[C@H](C)Cn1ccc([C@H](O)CC)c1 85839183 572824030 /nfs/dbraw/zinc/82/40/30/572824030.db2.gz GGEAXYPBXRFKGT-CMPLNLGQSA-N 0 0 195.306 2.978 10 0 AFAERN Cc1ccc(-c2cc(N)cn2C)s1 75120523 572824031 /nfs/dbraw/zinc/82/40/31/572824031.db2.gz SFPRRTMAGDXSNP-UHFFFAOYSA-N 0 0 192.287 2.644 10 0 AFAERN Cc1cccc2c(CO)c(Cl)[nH]c12 71465220 572824044 /nfs/dbraw/zinc/82/40/44/572824044.db2.gz PSSXZKXFSFNWGY-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CCCC1([C@H](O)c2ccoc2)CC1 308144351 572824061 /nfs/dbraw/zinc/82/40/61/572824061.db2.gz NATFACBTVRMPAU-SNVBAGLBSA-N 0 0 180.247 2.893 10 0 AFAERN CC[C@H](C)Cn1ccc([C@@H](C)O)c1 85834360 572824081 /nfs/dbraw/zinc/82/40/81/572824081.db2.gz KXJTYXKXINSIIQ-VHSXEESVSA-N 0 0 181.279 2.588 10 0 AFAERN CC[C@H](O)c1ccc(O)c(C(C)C)c1 71455756 572824112 /nfs/dbraw/zinc/82/41/12/572824112.db2.gz KDMUPOZNRJRVQQ-NSHDSACASA-N 0 0 194.274 2.959 10 0 AFAERN CC[C@@H](O)c1ccn(CCC(C)C)c1 85838947 572824155 /nfs/dbraw/zinc/82/41/55/572824155.db2.gz JMKMEYYNQKTGNJ-GFCCVEGCSA-N 0 0 195.306 2.978 10 0 AFAERN CC[C@H](C)Cn1ccc([C@@H](O)CC)c1 85839188 572824162 /nfs/dbraw/zinc/82/41/62/572824162.db2.gz GGEAXYPBXRFKGT-JQWIXIFHSA-N 0 0 195.306 2.978 10 0 AFAERN CCCC[C@@H](C)Nn1cccc1 85828710 572824176 /nfs/dbraw/zinc/82/41/76/572824176.db2.gz WBMFDKLKTVDBOB-SNVBAGLBSA-N 0 0 166.268 2.610 10 0 AFAERN CCOc1cc(C)c(NC)c(C)c1 71456873 572824199 /nfs/dbraw/zinc/82/41/99/572824199.db2.gz HZGYRAPBKSQIGX-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CC[C@H](O)c1ccn(C[C@H](C)CC)c1 85839187 572824214 /nfs/dbraw/zinc/82/42/14/572824214.db2.gz GGEAXYPBXRFKGT-PWSUYJOCSA-N 0 0 195.306 2.978 10 0 AFAERN CC(C)Cn1ccc([C@@H](O)C(C)C)c1 85843265 572827763 /nfs/dbraw/zinc/82/77/63/572827763.db2.gz UACQCHYJATZBPB-LBPRGKRZSA-N 0 0 195.306 2.834 10 0 AFAERN CC[C@@H](C)Cn1ccc([C@H](C)O)c1 85834364 572824300 /nfs/dbraw/zinc/82/43/00/572824300.db2.gz KXJTYXKXINSIIQ-ZJUUUORDSA-N 0 0 181.279 2.588 10 0 AFAERN CCC(=O)OC(C(C)C)C(C)C 118218934 572824314 /nfs/dbraw/zinc/82/43/14/572824314.db2.gz QFHZDGHQYDYUSW-UHFFFAOYSA-N 0 0 172.268 2.620 10 0 AFAERN C/C=C/Cn1ccc([C@@H](O)C(C)C)c1 85843117 572827141 /nfs/dbraw/zinc/82/71/41/572827141.db2.gz LWLVUEBIWGBWOD-ITKZLYELSA-N 0 0 193.290 2.754 10 0 AFAERN CCC(=O)c1ccn(CC(C)C)c1 85838387 572824349 /nfs/dbraw/zinc/82/43/49/572824349.db2.gz LMFIDXIDNCUMKA-UHFFFAOYSA-N 0 0 179.263 2.737 10 0 AFAERN CCCCCn1ccc([C@@H](C)O)c1 85834194 572824439 /nfs/dbraw/zinc/82/44/39/572824439.db2.gz GLLFNIGXEITMFX-SNVBAGLBSA-N 0 0 181.279 2.732 10 0 AFAERN CC[C@@H](O)c1ccn(CC(C)C)c1 85839045 572824456 /nfs/dbraw/zinc/82/44/56/572824456.db2.gz ATDYWVBNKXTQGM-LLVKDONJSA-N 0 0 181.279 2.588 10 0 AFAERN CCC[C@@H](C)Cn1ccc([C@@H](C)O)c1 85833835 572824561 /nfs/dbraw/zinc/82/45/61/572824561.db2.gz GUXLIWHQYRLYBA-GHMZBOCLSA-N 0 0 195.306 2.978 10 0 AFAERN C/C=C/Cn1ccc(C(=O)CC)c1 85838355 572824571 /nfs/dbraw/zinc/82/45/71/572824571.db2.gz JWCUCBJXODUFOZ-HWKANZROSA-N 0 0 177.247 2.657 10 0 AFAERN CC[C@@H](C)[C@@H](O)C1CCSCC1 389942183 572824575 /nfs/dbraw/zinc/82/45/75/572824575.db2.gz HGDIUSRIPYIRQW-PSASIEDQSA-N 0 0 188.336 2.537 10 0 AFAERN CCc1ccc(C(=O)CCSC)o1 85826929 572824577 /nfs/dbraw/zinc/82/45/77/572824577.db2.gz KMGMPUVTTVTAFC-UHFFFAOYSA-N 0 0 198.287 2.778 10 0 AFAERN CC1=Cc2cc(F)ccc2NC1 71479753 572824617 /nfs/dbraw/zinc/82/46/17/572824617.db2.gz MLUNIRVGWPISQG-UHFFFAOYSA-N 0 0 163.195 2.655 10 0 AFAERN CC(C)c1ccc2c(c1)[C@@H](O)CCN2 71480080 572824637 /nfs/dbraw/zinc/82/46/37/572824637.db2.gz XKVUHHDQQMYCQG-LBPRGKRZSA-N 0 0 191.274 2.659 10 0 AFAERN Cn1cc(C=O)cc1CCC(C)(C)C 75121149 572824716 /nfs/dbraw/zinc/82/47/16/572824716.db2.gz WISTXWMJBGPYRR-UHFFFAOYSA-N 0 0 193.290 2.816 10 0 AFAERN CCCCn1ccc([C@H](O)CC)c1 85838649 572824730 /nfs/dbraw/zinc/82/47/30/572824730.db2.gz XYHMOFWQQVQINF-LLVKDONJSA-N 0 0 181.279 2.732 10 0 AFAERN C/C=C/Cn1ccc(C(=O)C(C)C)c1 85842657 572827718 /nfs/dbraw/zinc/82/77/18/572827718.db2.gz UUZXLUPUBCYHGU-SNAWJCMRSA-N 0 0 191.274 2.903 10 0 AFAERN CC1=Cc2ccc(C)cc2NC1 71479749 572824809 /nfs/dbraw/zinc/82/48/09/572824809.db2.gz SZZJZEMGLSOITQ-UHFFFAOYSA-N 0 0 159.232 2.824 10 0 AFAERN Cc1ccc2c(c1)C=C[C@@H](C)N2 71479784 572824826 /nfs/dbraw/zinc/82/48/26/572824826.db2.gz CNCNHZZMUGYXIZ-SECBINFHSA-N 0 0 159.232 2.822 10 0 AFAERN CC(C)(C)/C=C/C(=O)OCC1CC1 308141284 572824888 /nfs/dbraw/zinc/82/48/88/572824888.db2.gz IPNVVMHCCIXRCW-VOTSOKGWSA-N 0 0 182.263 2.542 10 0 AFAERN C[C@@H]1CNc2c(Cl)cccc2C1=O 71481825 572824892 /nfs/dbraw/zinc/82/48/92/572824892.db2.gz VVBOCCDQDOMFSY-ZCFIWIBFSA-N 0 0 195.649 2.584 10 0 AFAERN CCCCn1ccc(C(=O)CC)c1 85838385 572824894 /nfs/dbraw/zinc/82/48/94/572824894.db2.gz LNQFYYYUQWOTKA-UHFFFAOYSA-N 0 0 179.263 2.881 10 0 AFAERN CC(C)c1cc2ccccn2c1C=O 71477147 572824947 /nfs/dbraw/zinc/82/49/47/572824947.db2.gz BAECWCQLOFTGNK-UHFFFAOYSA-N 0 0 187.242 2.875 10 0 AFAERN C/C=C/Cn1ccc([C@@H](O)CC)c1 85838825 572824968 /nfs/dbraw/zinc/82/49/68/572824968.db2.gz BZJXEBNKLHPWPB-TZNOJPMFSA-N 0 0 179.263 2.508 10 0 AFAERN CC[C@@H](C)Cn1ccc([C@@H](C)O)c1 85834357 572824995 /nfs/dbraw/zinc/82/49/95/572824995.db2.gz KXJTYXKXINSIIQ-NXEZZACHSA-N 0 0 181.279 2.588 10 0 AFAERN CCC(=O)c1ccn(C/C=C/Cl)c1 85838414 572825003 /nfs/dbraw/zinc/82/50/03/572825003.db2.gz JUVPHWIFQWAMKV-HWKANZROSA-N 0 0 197.665 2.833 10 0 AFAERN CC[C@@H](Nn1cccc1)c1ccco1 85828225 572825043 /nfs/dbraw/zinc/82/50/43/572825043.db2.gz SRTDIQNPKSROIX-SNVBAGLBSA-N 0 0 190.246 2.776 10 0 AFAERN Cc1ccc(C)c2c1N[C@@H](C)C[C@H]2O 71481613 572825071 /nfs/dbraw/zinc/82/50/71/572825071.db2.gz UZYCQZYPAJJNRD-VHSXEESVSA-N 0 0 191.274 2.541 10 0 AFAERN CC[C@H](C)[C@@H](O)C1CCSCC1 389942200 572825085 /nfs/dbraw/zinc/82/50/85/572825085.db2.gz HGDIUSRIPYIRQW-WCBMZHEXSA-N 0 0 188.336 2.537 10 0 AFAERN CC[C@H](O)c1ccn(CCC(C)C)c1 85838944 572825094 /nfs/dbraw/zinc/82/50/94/572825094.db2.gz JMKMEYYNQKTGNJ-LBPRGKRZSA-N 0 0 195.306 2.978 10 0 AFAERN CCC[C@@H](C)Cn1ccc([C@H](C)O)c1 85833838 572825129 /nfs/dbraw/zinc/82/51/29/572825129.db2.gz GUXLIWHQYRLYBA-MNOVXSKESA-N 0 0 195.306 2.978 10 0 AFAERN Cc1ccc(C)c2c1NC[C@@H](C)C2=O 71481857 572825130 /nfs/dbraw/zinc/82/51/30/572825130.db2.gz SCGMCNVQPHATDP-SECBINFHSA-N 0 0 189.258 2.548 10 0 AFAERN C[C@H]1C=Cc2cc(F)ccc2N1 71479786 572825151 /nfs/dbraw/zinc/82/51/51/572825151.db2.gz HTVHBUZRMJRHLH-ZETCQYMHSA-N 0 0 163.195 2.653 10 0 AFAERN CC1=Cc2cccc(F)c2NC1 71479746 572825167 /nfs/dbraw/zinc/82/51/67/572825167.db2.gz UFKXERGBDVMDIB-UHFFFAOYSA-N 0 0 163.195 2.655 10 0 AFAERN Cc1ccc(C)c2c1N[C@@H](C)CC2=O 71481901 572825173 /nfs/dbraw/zinc/82/51/73/572825173.db2.gz QWDAWGNTEJYQEY-VIFPVBQESA-N 0 0 189.258 2.690 10 0 AFAERN Cc1cc2c(cc1C)C(=O)C[C@H](C)N2 71481906 572825184 /nfs/dbraw/zinc/82/51/84/572825184.db2.gz WPZAJJZSFLXADR-VIFPVBQESA-N 0 0 189.258 2.690 10 0 AFAERN CCCC(=O)c1c(C)ccc(C)c1O 71462791 572825196 /nfs/dbraw/zinc/82/51/96/572825196.db2.gz FVMCHBIPDNTPBI-UHFFFAOYSA-N 0 0 192.258 2.992 10 0 AFAERN CCC[C@H](C)Cn1ccc([C@@H](C)O)c1 85833837 572825209 /nfs/dbraw/zinc/82/52/09/572825209.db2.gz GUXLIWHQYRLYBA-WDEREUQCSA-N 0 0 195.306 2.978 10 0 AFAERN CCc1cccc2c1N[C@H](C)CC2 71479828 572825250 /nfs/dbraw/zinc/82/52/50/572825250.db2.gz MYDKOIZMZOLHMK-SECBINFHSA-N 0 0 175.275 2.996 10 0 AFAERN CCCCCn1ccc([C@H](C)O)c1 85834196 572825287 /nfs/dbraw/zinc/82/52/87/572825287.db2.gz GLLFNIGXEITMFX-JTQLQIEISA-N 0 0 181.279 2.732 10 0 AFAERN C[C@@H](O)c1ccn(CCC(C)(C)C)c1 85833962 572825358 /nfs/dbraw/zinc/82/53/58/572825358.db2.gz OZJSFRRTJRUESW-SNVBAGLBSA-N 0 0 195.306 2.978 10 0 AFAERN CCc1cc(OC(C)C)ccc1O 71463450 572826412 /nfs/dbraw/zinc/82/64/12/572826412.db2.gz RWWIWLINBGDNFL-UHFFFAOYSA-N 0 0 180.247 2.742 10 0 AFAERN CCCC[C@H](C)Nn1cccc1 85828712 572825381 /nfs/dbraw/zinc/82/53/81/572825381.db2.gz WBMFDKLKTVDBOB-JTQLQIEISA-N 0 0 166.268 2.610 10 0 AFAERN C[C@@H]1C=Cc2cc(F)ccc2N1 71479785 572825384 /nfs/dbraw/zinc/82/53/84/572825384.db2.gz HTVHBUZRMJRHLH-SSDOTTSWSA-N 0 0 163.195 2.653 10 0 AFAERN CCc1ccc2c(c1)C=CCN2 71479732 572825431 /nfs/dbraw/zinc/82/54/31/572825431.db2.gz ZHOMPOSKQOMSFG-UHFFFAOYSA-N 0 0 159.232 2.688 10 0 AFAERN CCOc1c(C)ccc(C)c1[C@H](C)O 71457351 572825440 /nfs/dbraw/zinc/82/54/40/572825440.db2.gz WCOMTWVLEQCRNV-JTQLQIEISA-N 0 0 194.274 2.755 10 0 AFAERN Cc1cc2c(cc1C)NCC=C2 71479740 572825447 /nfs/dbraw/zinc/82/54/47/572825447.db2.gz SMIRJLUVZGFLNI-UHFFFAOYSA-N 0 0 159.232 2.742 10 0 AFAERN CC(C)c1cccc2c1NCC[C@H]2O 71480064 572825456 /nfs/dbraw/zinc/82/54/56/572825456.db2.gz VNQYAZBBDODBPX-LLVKDONJSA-N 0 0 191.274 2.659 10 0 AFAERN C[C@@H]1CC(=O)c2cccc(Cl)c2N1 71481873 572825466 /nfs/dbraw/zinc/82/54/66/572825466.db2.gz SHIARVOTNPFKOR-ZCFIWIBFSA-N 0 0 195.649 2.727 10 0 AFAERN CCC(C)(C)OC(=O)CC1CC1 307950597 572825476 /nfs/dbraw/zinc/82/54/76/572825476.db2.gz NSJDCXPWYHBYIB-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)C=C2 71479777 572825514 /nfs/dbraw/zinc/82/55/14/572825514.db2.gz DWKNLYXJSCABGI-SECBINFHSA-N 0 0 159.232 2.822 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](O)C[C@@H](C)N2 71481583 572825547 /nfs/dbraw/zinc/82/55/47/572825547.db2.gz YBZUIPZIULSFQP-MWLCHTKSSA-N 0 0 191.274 2.541 10 0 AFAERN CCc1cccc2c1N[C@@H](C)CC2=O 71481890 572825558 /nfs/dbraw/zinc/82/55/58/572825558.db2.gz SGIHTUZSKASZNE-QMMMGPOBSA-N 0 0 189.258 2.636 10 0 AFAERN CC(C)Cc1nc2c(N)cccc2o1 71477710 572825563 /nfs/dbraw/zinc/82/55/63/572825563.db2.gz GIKUYKHMZGGZHX-UHFFFAOYSA-N 0 0 190.246 2.609 10 0 AFAERN CC1=Cc2ccccc2NC1 71479744 572826422 /nfs/dbraw/zinc/82/64/22/572826422.db2.gz MVHWRBZXLYFOMW-UHFFFAOYSA-N 0 0 145.205 2.515 10 0 AFAERN C[C@@H]1CNc2ccc(Cl)cc2C1=O 71481839 572825598 /nfs/dbraw/zinc/82/55/98/572825598.db2.gz WULLSROBLGDJKG-ZCFIWIBFSA-N 0 0 195.649 2.584 10 0 AFAERN C[C@H](O)c1ccn(CCC(C)(C)C)c1 85833961 572825685 /nfs/dbraw/zinc/82/56/85/572825685.db2.gz OZJSFRRTJRUESW-JTQLQIEISA-N 0 0 195.306 2.978 10 0 AFAERN CCC[C@H](C)Cn1ccc([C@H](C)O)c1 85833840 572825690 /nfs/dbraw/zinc/82/56/90/572825690.db2.gz GUXLIWHQYRLYBA-QWRGUYRKSA-N 0 0 195.306 2.978 10 0 AFAERN Cc1ccc2c(c1C)NCC=C2 71479736 572825700 /nfs/dbraw/zinc/82/57/00/572825700.db2.gz RMZXTEMBJMVGIY-UHFFFAOYSA-N 0 0 159.232 2.742 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](O)C[C@H](C)N2 71481581 572825772 /nfs/dbraw/zinc/82/57/72/572825772.db2.gz YBZUIPZIULSFQP-GXSJLCMTSA-N 0 0 191.274 2.541 10 0 AFAERN COc1c(C=O)cc(C)c(C)c1Cl 75124795 572825806 /nfs/dbraw/zinc/82/58/06/572825806.db2.gz OFEQFPQAYLAEGY-UHFFFAOYSA-N 0 0 198.649 2.778 10 0 AFAERN C[C@H]1CNc2cc(Cl)ccc2C1=O 71481832 572825847 /nfs/dbraw/zinc/82/58/47/572825847.db2.gz LVVYCBNGLMGFED-LURJTMIESA-N 0 0 195.649 2.584 10 0 AFAERN C[C@H]1CNc2ccc(Cl)cc2C1=O 71481840 572825851 /nfs/dbraw/zinc/82/58/51/572825851.db2.gz WULLSROBLGDJKG-LURJTMIESA-N 0 0 195.649 2.584 10 0 AFAERN c1cc2c3c(c1)NC[C@@H]3CCC2 71476918 572825869 /nfs/dbraw/zinc/82/58/69/572825869.db2.gz MFVFAPQCEUCUSG-VIFPVBQESA-N 0 0 159.232 2.532 10 0 AFAERN Cc1ccc2c(c1C)N[C@H](C)CC2=O 71481899 572825872 /nfs/dbraw/zinc/82/58/72/572825872.db2.gz KDRPPHDPNPYOPZ-MRVPVSSYSA-N 0 0 189.258 2.690 10 0 AFAERN C[C@H]1CNc2c(Cl)cccc2C1=O 71481826 572825972 /nfs/dbraw/zinc/82/59/72/572825972.db2.gz VVBOCCDQDOMFSY-LURJTMIESA-N 0 0 195.649 2.584 10 0 AFAERN Cc1ccc(C)c2c1NC[C@H](C)C2=O 71481858 572825975 /nfs/dbraw/zinc/82/59/75/572825975.db2.gz SCGMCNVQPHATDP-VIFPVBQESA-N 0 0 189.258 2.548 10 0 AFAERN CC1=Cc2cc(C)ccc2NC1 71479752 572825982 /nfs/dbraw/zinc/82/59/82/572825982.db2.gz DYANELOFOVMCQL-UHFFFAOYSA-N 0 0 159.232 2.824 10 0 AFAERN CC[C@@H](C)[C@H](O)C1CCSCC1 389942197 572826003 /nfs/dbraw/zinc/82/60/03/572826003.db2.gz HGDIUSRIPYIRQW-SCZZXKLOSA-N 0 0 188.336 2.537 10 0 AFAERN CCc1cccc2c1N[C@H](C)CC2=O 71481889 572826008 /nfs/dbraw/zinc/82/60/08/572826008.db2.gz SGIHTUZSKASZNE-MRVPVSSYSA-N 0 0 189.258 2.636 10 0 AFAERN CCCOc1c(C)ccc(C)c1O 71457389 572826010 /nfs/dbraw/zinc/82/60/10/572826010.db2.gz FMHWSKHIFIMAFN-UHFFFAOYSA-N 0 0 180.247 2.798 10 0 AFAERN Cn1c(-c2ccco2)cc2c1CCC2 75144294 572826038 /nfs/dbraw/zinc/82/60/38/572826038.db2.gz VVBURFTZVOVYEX-UHFFFAOYSA-N 0 0 187.242 2.774 10 0 AFAERN CCCCCS/C=C\C(=O)OC 307950122 572826060 /nfs/dbraw/zinc/82/60/60/572826060.db2.gz RQJDGRAFMZKHIO-VURMDHGXSA-N 0 0 188.292 2.597 10 0 AFAERN Cc1ccc(C)c2c1N[C@@H](C)C[C@@H]2O 71481614 572826096 /nfs/dbraw/zinc/82/60/96/572826096.db2.gz UZYCQZYPAJJNRD-UWVGGRQHSA-N 0 0 191.274 2.541 10 0 AFAERN C[C@@H]1C=Cc2cccc(F)c2N1 71479771 572826229 /nfs/dbraw/zinc/82/62/29/572826229.db2.gz XABJGVNNIBHKHL-SSDOTTSWSA-N 0 0 163.195 2.653 10 0 AFAERN C/C=C/Cn1ccc([C@@H](O)C2CC2)c1 85844803 572826235 /nfs/dbraw/zinc/82/62/35/572826235.db2.gz PYBCIARSYMDXDW-JDGPPOGSSA-N 0 0 191.274 2.508 10 0 AFAERN C[C@H]1C[C@@H](O)c2ccc(Cl)cc2N1 71481226 572826248 /nfs/dbraw/zinc/82/62/48/572826248.db2.gz ZQXLVENZXTXNIX-QUBYGPBYSA-N 0 0 197.665 2.578 10 0 AFAERN CC(C)(C)COC(=O)/C=C\C1CC1 308140965 572826268 /nfs/dbraw/zinc/82/62/68/572826268.db2.gz IPMCCTICALNMKD-SREVYHEPSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)c1cc2ccccn2c1N 71477154 572826278 /nfs/dbraw/zinc/82/62/78/572826278.db2.gz OQELUVQTVKIUFU-UHFFFAOYSA-N 0 0 174.247 2.645 10 0 AFAERN Cc1ccccc1-c1ccc(C=O)n1C 75125052 572826290 /nfs/dbraw/zinc/82/62/90/572826290.db2.gz ANQNJVFBKBEZRL-UHFFFAOYSA-N 0 0 199.253 2.813 10 0 AFAERN CCc1ccc2c(c1)C(=O)C[C@H](C)N2 71481891 572826346 /nfs/dbraw/zinc/82/63/46/572826346.db2.gz KBAOYQSLPHIQNR-QMMMGPOBSA-N 0 0 189.258 2.636 10 0 AFAERN CC1=Cc2cccc(C)c2NC1 71479745 572826373 /nfs/dbraw/zinc/82/63/73/572826373.db2.gz MVGQEMMGJZTXRM-UHFFFAOYSA-N 0 0 159.232 2.824 10 0 AFAERN Cc1cc(C)c2c(c1)NC[C@@H](C)C2=O 71481860 572826380 /nfs/dbraw/zinc/82/63/80/572826380.db2.gz NXOBYMHTDUOZQL-SECBINFHSA-N 0 0 189.258 2.548 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@H](C)CC2=O 71481903 572826443 /nfs/dbraw/zinc/82/64/43/572826443.db2.gz MQJHSLACEKDGAA-SECBINFHSA-N 0 0 189.258 2.690 10 0 AFAERN CC(C)c1cccc2c1NCC[C@@H]2O 71480063 572826448 /nfs/dbraw/zinc/82/64/48/572826448.db2.gz VNQYAZBBDODBPX-NSHDSACASA-N 0 0 191.274 2.659 10 0 AFAERN Cc1cc(C)c2c(c1)NCC=C2 71479739 572826457 /nfs/dbraw/zinc/82/64/57/572826457.db2.gz APRNQXZLRGEEHY-UHFFFAOYSA-N 0 0 159.232 2.742 10 0 AFAERN Cn1ccc2c3occ(C=O)c3ccc21 75124826 572826475 /nfs/dbraw/zinc/82/64/75/572826475.db2.gz MNBMXIPUHSXMPI-UHFFFAOYSA-N 0 0 199.209 2.737 10 0 AFAERN CC(C)c1ccc2c(c1)[C@H](O)CCN2 71480079 572826535 /nfs/dbraw/zinc/82/65/35/572826535.db2.gz XKVUHHDQQMYCQG-GFCCVEGCSA-N 0 0 191.274 2.659 10 0 AFAERN CCCC(=O)c1ccn(CCC)c1 85841060 572827790 /nfs/dbraw/zinc/82/77/90/572827790.db2.gz JUDIKGKORQBQDS-UHFFFAOYSA-N 0 0 179.263 2.881 10 0 AFAERN Cc1ccc(C)c2c1N[C@H](C)CC2=O 71481902 572826566 /nfs/dbraw/zinc/82/65/66/572826566.db2.gz QWDAWGNTEJYQEY-SECBINFHSA-N 0 0 189.258 2.690 10 0 AFAERN CCC[C@@H](O)c1ccn(CCC)c1 85841219 572826577 /nfs/dbraw/zinc/82/65/77/572826577.db2.gz MVOXOZFVNPBDED-LLVKDONJSA-N 0 0 181.279 2.732 10 0 AFAERN C[C@H]1Cc2cccc(Cl)c2N1 71484226 572827794 /nfs/dbraw/zinc/82/77/94/572827794.db2.gz RWKFPXADSZTDGD-LURJTMIESA-N 0 0 167.639 2.697 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)[C@H](C)CN2 71481855 572826686 /nfs/dbraw/zinc/82/66/86/572826686.db2.gz MYEXLZRFGLVWIX-SECBINFHSA-N 0 0 189.258 2.548 10 0 AFAERN Cc1cccc2c1N[C@@H](C)C=C2 71479770 572826690 /nfs/dbraw/zinc/82/66/90/572826690.db2.gz DYLKAAWFSGVMFD-VIFPVBQESA-N 0 0 159.232 2.822 10 0 AFAERN C/C=C/Cn1ccc([C@@H](O)CCC)c1 85841352 572826720 /nfs/dbraw/zinc/82/67/20/572826720.db2.gz MUBCKHPUOYXAAP-PYEVWLCESA-N 0 0 193.290 2.898 10 0 AFAERN Cc1ccc(C)c2c1N[C@H](C)C[C@@H]2O 71481616 572826724 /nfs/dbraw/zinc/82/67/24/572826724.db2.gz UZYCQZYPAJJNRD-ZJUUUORDSA-N 0 0 191.274 2.541 10 0 AFAERN CCc1cccc2c1NCC[C@@H]2OC 71480045 572826730 /nfs/dbraw/zinc/82/67/30/572826730.db2.gz OIMBZEYWKGWPDG-NSHDSACASA-N 0 0 191.274 2.752 10 0 AFAERN CC(C)(C)COC(=O)/C=C/C1CC1 308140967 572826750 /nfs/dbraw/zinc/82/67/50/572826750.db2.gz IPMCCTICALNMKD-VOTSOKGWSA-N 0 0 182.263 2.542 10 0 AFAERN Cc1cc(C)c2c(c1)[C@@H](O)C[C@@H](C)N2 71481584 572826763 /nfs/dbraw/zinc/82/67/63/572826763.db2.gz YBZUIPZIULSFQP-KOLCDFICSA-N 0 0 191.274 2.541 10 0 AFAERN Cc1ccc2c(c1)C=C[C@H](C)N2 71479783 572826797 /nfs/dbraw/zinc/82/67/97/572826797.db2.gz CNCNHZZMUGYXIZ-VIFPVBQESA-N 0 0 159.232 2.822 10 0 AFAERN Cc1cc2c(cc1C)N[C@H](C)C2 713762131 572826819 /nfs/dbraw/zinc/82/68/19/572826819.db2.gz PZTPGEIUOLKGGH-SECBINFHSA-N 0 0 161.248 2.660 10 0 AFAERN Cc1ccc2c(c1C)N[C@@H](C)CC2=O 71481900 572826825 /nfs/dbraw/zinc/82/68/25/572826825.db2.gz KDRPPHDPNPYOPZ-QMMMGPOBSA-N 0 0 189.258 2.690 10 0 AFAERN CC[C@H](O)c1ccn(CC=C(C)C)c1 85839239 572827804 /nfs/dbraw/zinc/82/78/04/572827804.db2.gz PFNFORIWLCWACE-LBPRGKRZSA-N 0 0 193.290 2.898 10 0 AFAERN CCCCn1ccc(C(=O)C2CC2)c1 85844388 572826869 /nfs/dbraw/zinc/82/68/69/572826869.db2.gz OXNXJNTYIIQAGL-UHFFFAOYSA-N 0 0 191.274 2.881 10 0 AFAERN Cc1ccc2c(c1C)NC[C@@H](C)C2=O 71481854 572826917 /nfs/dbraw/zinc/82/69/17/572826917.db2.gz KEIRUHRMFXRQQX-MRVPVSSYSA-N 0 0 189.258 2.548 10 0 AFAERN CC(C)(C)/C=C\C(=O)OCC1CC1 308141283 572826951 /nfs/dbraw/zinc/82/69/51/572826951.db2.gz IPNVVMHCCIXRCW-SREVYHEPSA-N 0 0 182.263 2.542 10 0 AFAERN CCOc1c(C)ccc(C)c1NC 71457340 572827814 /nfs/dbraw/zinc/82/78/14/572827814.db2.gz SBFDECRNBKQCHM-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@@H](C)CC2=O 71481904 572827151 /nfs/dbraw/zinc/82/71/51/572827151.db2.gz MQJHSLACEKDGAA-VIFPVBQESA-N 0 0 189.258 2.690 10 0 AFAERN Cc1cc2c(cc1C)C(=O)[C@@H](C)CN2 71481861 572827168 /nfs/dbraw/zinc/82/71/68/572827168.db2.gz BXBNZBDDKBKFPF-VIFPVBQESA-N 0 0 189.258 2.548 10 0 AFAERN CCOCOc1ccc(C)c(C)c1 308141207 572827199 /nfs/dbraw/zinc/82/71/99/572827199.db2.gz LHFAWOOEZAGBLF-UHFFFAOYSA-N 0 0 180.247 2.676 10 0 AFAERN CCC[C@H](O)c1ccn(CCC)c1 85841217 572827213 /nfs/dbraw/zinc/82/72/13/572827213.db2.gz MVOXOZFVNPBDED-NSHDSACASA-N 0 0 181.279 2.732 10 0 AFAERN C/C=C/Cn1ccc([C@H](O)C(C)C)c1 85843114 572827223 /nfs/dbraw/zinc/82/72/23/572827223.db2.gz LWLVUEBIWGBWOD-ZYOFXKKJSA-N 0 0 193.290 2.754 10 0 AFAERN CC(C)Cn1ccc(C(=O)C(C)C)c1 85842700 572827226 /nfs/dbraw/zinc/82/72/26/572827226.db2.gz RKQKVYPESJUMNQ-UHFFFAOYSA-N 0 0 193.290 2.983 10 0 AFAERN CCCCn1ccc([C@@H](O)C(C)C)c1 85842936 572827825 /nfs/dbraw/zinc/82/78/25/572827825.db2.gz QSLWREKABXDCRD-LBPRGKRZSA-N 0 0 195.306 2.978 10 0 AFAERN CCc1cccc2c1N[C@@H](C)CC2 71479829 572827273 /nfs/dbraw/zinc/82/72/73/572827273.db2.gz MYDKOIZMZOLHMK-VIFPVBQESA-N 0 0 175.275 2.996 10 0 AFAERN Cc1cc2c(cc1C)N[C@@H](C)C2 713762134 572827281 /nfs/dbraw/zinc/82/72/81/572827281.db2.gz PZTPGEIUOLKGGH-VIFPVBQESA-N 0 0 161.248 2.660 10 0 AFAERN CC(C)Cn1ccc([C@@H](O)C2CC2)c1 85844943 572827411 /nfs/dbraw/zinc/82/74/11/572827411.db2.gz CXDCIEJMNAFXNA-LBPRGKRZSA-N 0 0 193.290 2.588 10 0 AFAERN CC(C)Cn1ccc(C(=O)C2CC2)c1 85844394 572827431 /nfs/dbraw/zinc/82/74/31/572827431.db2.gz YNXQIKAJRNOWIL-UHFFFAOYSA-N 0 0 191.274 2.737 10 0 AFAERN CCOc1c(C)ccc(C)c1[C@@H](C)O 71457350 572827435 /nfs/dbraw/zinc/82/74/35/572827435.db2.gz WCOMTWVLEQCRNV-SNVBAGLBSA-N 0 0 194.274 2.755 10 0 AFAERN CC(C)CC[C@H](C)Nn1cccc1 85829224 572827443 /nfs/dbraw/zinc/82/74/43/572827443.db2.gz KRMQOKVENBYCKG-NSHDSACASA-N 0 0 180.295 2.856 10 0 AFAERN CCC[C@@H](O)c1ccn(CC(C)C)c1 85841494 572827539 /nfs/dbraw/zinc/82/75/39/572827539.db2.gz JJHYKCNOAFQXIG-GFCCVEGCSA-N 0 0 195.306 2.978 10 0 AFAERN CC[C@H](O)c1ccn(C/C=C/Cl)c1 85839196 572827637 /nfs/dbraw/zinc/82/76/37/572827637.db2.gz DBSJBYPBXQGHIO-GFAPAMAISA-N 0 0 199.681 2.684 10 0 AFAERN CC(C)Cn1ccc([C@H](O)C2CC2)c1 85844939 572827679 /nfs/dbraw/zinc/82/76/79/572827679.db2.gz CXDCIEJMNAFXNA-GFCCVEGCSA-N 0 0 193.290 2.588 10 0 AFAERN C[C@@H](O)/C=C\C1CCCCC1 198876054 572827711 /nfs/dbraw/zinc/82/77/11/572827711.db2.gz YZVAHJQHXUSGJH-UFGYOYAJSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@@H](O)c1ccn(C/C=C/Cl)c1 85839198 572828149 /nfs/dbraw/zinc/82/81/49/572828149.db2.gz DBSJBYPBXQGHIO-RXNUUUNCSA-N 0 0 199.681 2.684 10 0 AFAERN CC(C)=CCC/C(C)=C/CON 222498269 572828123 /nfs/dbraw/zinc/82/81/23/572828123.db2.gz WWXNSTVILSBHSG-JXMROGBWSA-N 0 0 169.268 2.569 10 0 AFAERN Cc1cccc2c1N[C@H](C(C)C)C2 71484684 572828317 /nfs/dbraw/zinc/82/83/17/572828317.db2.gz JCFMUNCGPSQDBT-NSHDSACASA-N 0 0 175.275 2.988 10 0 AFAERN CCCCn1ccc([C@H](O)C2CC2)c1 85844632 572828369 /nfs/dbraw/zinc/82/83/69/572828369.db2.gz QZFJZEWDZUHJRK-GFCCVEGCSA-N 0 0 193.290 2.732 10 0 AFAERN Cn1ccc2c3oc(C=O)cc3ccc21 75124830 572828422 /nfs/dbraw/zinc/82/84/22/572828422.db2.gz CNECCNVPDQFLCH-UHFFFAOYSA-N 0 0 199.209 2.737 10 0 AFAERN CCCn1ccc([C@@H](O)C(C)C)c1 85842963 572828424 /nfs/dbraw/zinc/82/84/24/572828424.db2.gz SWGSEPUFVNZVQT-NSHDSACASA-N 0 0 181.279 2.588 10 0 AFAERN CCCCn1ccc([C@@H](O)C2CC2)c1 85844636 572828481 /nfs/dbraw/zinc/82/84/81/572828481.db2.gz QZFJZEWDZUHJRK-LBPRGKRZSA-N 0 0 193.290 2.732 10 0 AFAERN C/C=C/Cn1ccc([C@H](O)C2CC2)c1 85844798 572828535 /nfs/dbraw/zinc/82/85/35/572828535.db2.gz PYBCIARSYMDXDW-QAVQXKDTSA-N 0 0 191.274 2.508 10 0 AFAERN CC[C@@H](O)c1ccn(CC=C(C)C)c1 85839241 572828591 /nfs/dbraw/zinc/82/85/91/572828591.db2.gz PFNFORIWLCWACE-GFCCVEGCSA-N 0 0 193.290 2.898 10 0 AFAERN CCCC(=O)c1ccn(C(F)F)c1 85841032 572828633 /nfs/dbraw/zinc/82/86/33/572828633.db2.gz IEKPOKWCYCUAQN-UHFFFAOYSA-N 0 0 187.189 2.866 10 0 AFAERN c1ccc2c(c1)CC[C@@H]2Nn1cccc1 85828822 572828642 /nfs/dbraw/zinc/82/86/42/572828642.db2.gz MHLOGMUKYQMZIY-ZDUSSCGKSA-N 0 0 198.269 2.719 10 0 AFAERN CCC[C@@H](O)c1ccn(C(F)F)c1 85841716 572828666 /nfs/dbraw/zinc/82/86/66/572828666.db2.gz OGOIHGMVTOZPPE-MRVPVSSYSA-N 0 0 189.205 2.717 10 0 AFAERN Cc1ccccc1-c1cc(C=O)n(C)c1 75125057 572828693 /nfs/dbraw/zinc/82/86/93/572828693.db2.gz NPVUZSYIPMGGKU-UHFFFAOYSA-N 0 0 199.253 2.813 10 0 AFAERN Nc1ccc2c(c1F)Cc1ccccc1-2 238579127 572828788 /nfs/dbraw/zinc/82/87/88/572828788.db2.gz PIPQNDFQXUPJRL-UHFFFAOYSA-N 0 0 199.228 2.979 10 0 AFAERN C/C(=C/C(C)(C)C)C(=O)OC(C)C 308141720 572828824 /nfs/dbraw/zinc/82/88/24/572828824.db2.gz JAAYNFQGJWPNET-CLFYSBASSA-N 0 0 184.279 2.930 10 0 AFAERN CC(C)CC[C@@H](C)Nn1cccc1 85829222 572828858 /nfs/dbraw/zinc/82/88/58/572828858.db2.gz KRMQOKVENBYCKG-LLVKDONJSA-N 0 0 180.295 2.856 10 0 AFAERN Nc1c(F)ccc2c1-c1ccccc1C2 238579409 572828875 /nfs/dbraw/zinc/82/88/75/572828875.db2.gz VDNFWPHZONQDIZ-UHFFFAOYSA-N 0 0 199.228 2.979 10 0 AFAERN C/C=C/Cn1ccc(C(=O)C2CC2)c1 85844371 572828947 /nfs/dbraw/zinc/82/89/47/572828947.db2.gz PCVSTKLXOPGITR-NSCUHMNNSA-N 0 0 189.258 2.657 10 0 AFAERN CCc1cccc2c1N[C@H](C)C2 71484212 572828972 /nfs/dbraw/zinc/82/89/72/572828972.db2.gz CGNPPUSBLGFQKV-MRVPVSSYSA-N 0 0 161.248 2.606 10 0 AFAERN CC(C)[C@@H]1Cc2cc(F)ccc2N1 71484656 572829019 /nfs/dbraw/zinc/82/90/19/572829019.db2.gz PHRNFNLVKWHLPE-NSHDSACASA-N 0 0 179.238 2.818 10 0 AFAERN CCCCCCNn1cccc1 85828855 572829059 /nfs/dbraw/zinc/82/90/59/572829059.db2.gz BWLXNKIFOUFJAH-UHFFFAOYSA-N 0 0 166.268 2.612 10 0 AFAERN CC(C)/C=C/C(=O)O[C@]1(C)C[C@H]1C 308141945 572829161 /nfs/dbraw/zinc/82/91/61/572829161.db2.gz JESXBWDFDFZSJJ-PFLKOTLJSA-N 0 0 182.263 2.540 10 0 AFAERN Cc1ccc2c(c1)C(=O)C1(CC2)CC1 71489021 572829229 /nfs/dbraw/zinc/82/92/29/572829229.db2.gz NWAFQGKYUXMNKY-UHFFFAOYSA-N 0 0 186.254 2.904 10 0 AFAERN Cc1cc(C)c2c(c1)NC[C@H]2C 71486325 572829255 /nfs/dbraw/zinc/82/92/55/572829255.db2.gz ORTVGDRBBIELJR-SECBINFHSA-N 0 0 161.248 2.832 10 0 AFAERN CC(C)[C@H]1Cc2cccc(F)c2N1 71484694 572829278 /nfs/dbraw/zinc/82/92/78/572829278.db2.gz TWLWINURUMJIEB-SNVBAGLBSA-N 0 0 179.238 2.818 10 0 AFAERN Nc1ccc2c(c1)Cc1ccc(O)cc1-2 238579090 572829297 /nfs/dbraw/zinc/82/92/97/572829297.db2.gz GFRGKMRVVJZULC-UHFFFAOYSA-N 0 0 197.237 2.546 10 0 AFAERN Cc1cccc2c1N[C@@H](C(C)C)C2 71484685 572829397 /nfs/dbraw/zinc/82/93/97/572829397.db2.gz JCFMUNCGPSQDBT-LLVKDONJSA-N 0 0 175.275 2.988 10 0 AFAERN CC(C)[C@H]1Cc2cc(F)ccc2N1 71484657 572829521 /nfs/dbraw/zinc/82/95/21/572829521.db2.gz PHRNFNLVKWHLPE-LLVKDONJSA-N 0 0 179.238 2.818 10 0 AFAERN CC(C)/C=C\C(=O)O[C@]1(C)C[C@H]1C 308141946 572829591 /nfs/dbraw/zinc/82/95/91/572829591.db2.gz JESXBWDFDFZSJJ-RDOIKZAQSA-N 0 0 182.263 2.540 10 0 AFAERN CC(C)C[C@H](C)Oc1ccc(C=O)o1 85873824 572829671 /nfs/dbraw/zinc/82/96/71/572829671.db2.gz HJPJHORSVKPXAQ-VIFPVBQESA-N 0 0 196.246 2.906 10 0 AFAERN Cc1ccc2c(c1)C(=O)C1(CC1)C2 71489047 572829749 /nfs/dbraw/zinc/82/97/49/572829749.db2.gz DADFEXARDSCVRL-UHFFFAOYSA-N 0 0 172.227 2.514 10 0 AFAERN CC(C)[C@@H]1Cc2cccc(F)c2N1 71484693 572829893 /nfs/dbraw/zinc/82/98/93/572829893.db2.gz TWLWINURUMJIEB-JTQLQIEISA-N 0 0 179.238 2.818 10 0 AFAERN CCc1ccc2[nH]cc(C(C)=O)c2c1 71487596 572829938 /nfs/dbraw/zinc/82/99/38/572829938.db2.gz FXEWJMJDJRBDPY-UHFFFAOYSA-N 0 0 187.242 2.933 10 0 AFAERN CC(C)OCc1ccc(N)cc1Cl 49963788 572829946 /nfs/dbraw/zinc/82/99/46/572829946.db2.gz DOWYVDFCWGZXDA-UHFFFAOYSA-N 0 0 199.681 2.847 10 0 AFAERN Nc1ccc2cc(OC3CC3)ccc2c1 238579877 572829986 /nfs/dbraw/zinc/82/99/86/572829986.db2.gz JJQDGAFGAOSFTN-UHFFFAOYSA-N 0 0 199.253 2.963 10 0 AFAERN Cc1ccc2c(F)cccc2c1O 71489895 572830152 /nfs/dbraw/zinc/83/01/52/572830152.db2.gz NHGXTKSPDLJOQL-UHFFFAOYSA-N 0 0 176.190 2.993 10 0 AFAERN CC(C)CCOc1ccc(C=O)o1 85873772 572830729 /nfs/dbraw/zinc/83/07/29/572830729.db2.gz ZAHQAJARJHMNNK-UHFFFAOYSA-N 0 0 182.219 2.517 10 0 AFAERN CCC(=O)C[C@@H]1CCCC[C@@H]1OC 308142692 572830840 /nfs/dbraw/zinc/83/08/40/572830840.db2.gz VJTSVJIONDCCKH-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(C)(C)OC(=O)/C=C/SC 307953088 572831253 /nfs/dbraw/zinc/83/12/53/572831253.db2.gz POFNAUSHYRIMCD-VOTSOKGWSA-N 0 0 188.292 2.595 10 0 AFAERN c1cc2c3c(c1)NCC[C@@H]3CC2 71495125 572832461 /nfs/dbraw/zinc/83/24/61/572832461.db2.gz HSSRGUPGVVVISE-VIFPVBQESA-N 0 0 159.232 2.532 10 0 AFAERN C/C=C/CNc1cc(OC)ccc1F 234863018 572831507 /nfs/dbraw/zinc/83/15/07/572831507.db2.gz CFJCAFUPPAHLDY-ONEGZZNKSA-N 0 0 195.237 2.822 10 0 AFAERN CCCCC/C(=C/C1CC1)C(=O)NC 118254980 572831583 /nfs/dbraw/zinc/83/15/83/572831583.db2.gz RNEYXOPPTOHLGR-LUAWRHEFSA-N 0 0 195.306 2.649 10 0 AFAERN Cc1cc(NC(=O)C2CC2)sc1C 71492168 572831632 /nfs/dbraw/zinc/83/16/32/572831632.db2.gz JNRCIKFCMFDOOR-UHFFFAOYSA-N 0 0 195.287 2.713 10 0 AFAERN CCC(C)(C)OC(=O)/C=C\SC 307953087 572831749 /nfs/dbraw/zinc/83/17/49/572831749.db2.gz POFNAUSHYRIMCD-SREVYHEPSA-N 0 0 188.292 2.595 10 0 AFAERN CCC(C)(C)Oc1ccc(C=O)o1 85873876 572831772 /nfs/dbraw/zinc/83/17/72/572831772.db2.gz KJFYLUGUEGZPSD-UHFFFAOYSA-N 0 0 182.219 2.660 10 0 AFAERN c1cc2c3c(c1)NCC[C@H]3CC2 71495126 572832009 /nfs/dbraw/zinc/83/20/09/572832009.db2.gz HSSRGUPGVVVISE-SECBINFHSA-N 0 0 159.232 2.532 10 0 AFAERN CC(C)CCCOc1ccc(C=O)o1 85873864 572832038 /nfs/dbraw/zinc/83/20/38/572832038.db2.gz NIHZFWJYSSWLDW-UHFFFAOYSA-N 0 0 196.246 2.907 10 0 AFAERN CCCCCOc1ccc(C=O)o1 85873961 572832109 /nfs/dbraw/zinc/83/21/09/572832109.db2.gz YZAVIFXHQAEUPP-UHFFFAOYSA-N 0 0 182.219 2.661 10 0 AFAERN O[C@H](CCC1CC1)[C@H]1CC=CCC1 236539836 572832180 /nfs/dbraw/zinc/83/21/80/572832180.db2.gz FPYUIZJBHPYMPU-NWDGAFQWSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@H](NOC)c1cccc(C)c1 308142431 572832378 /nfs/dbraw/zinc/83/23/78/572832378.db2.gz MCWIXWMXAKFJQN-NSHDSACASA-N 0 0 179.263 2.597 10 0 AFAERN CCC(=O)C[C@@H]1CCCC[C@H]1OC 308142688 572834354 /nfs/dbraw/zinc/83/43/54/572834354.db2.gz VJTSVJIONDCCKH-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1cc2cccc(F)c2n1C 71494937 572832552 /nfs/dbraw/zinc/83/25/52/572832552.db2.gz CDJWBTMESCQWGG-UHFFFAOYSA-N 0 0 163.195 2.626 10 0 AFAERN CCC(=O)C[C@H]1CCCC[C@H]1OC 308142691 572832893 /nfs/dbraw/zinc/83/28/93/572832893.db2.gz VJTSVJIONDCCKH-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC[C@@H](C)NC(=O)OCCC 308142135 572832919 /nfs/dbraw/zinc/83/29/19/572832919.db2.gz LZEVJULJAJDWRC-SECBINFHSA-N 0 0 187.283 2.701 10 0 AFAERN CC(C)C[C@@H](C)Oc1ccc(C=O)o1 85873821 572832921 /nfs/dbraw/zinc/83/29/21/572832921.db2.gz HJPJHORSVKPXAQ-SECBINFHSA-N 0 0 196.246 2.906 10 0 AFAERN Nc1ccc(C(=O)C2CCCC2)s1 75387278 572834829 /nfs/dbraw/zinc/83/48/29/572834829.db2.gz UOJJFTCEWWELOU-UHFFFAOYSA-N 0 0 195.287 2.703 10 0 AFAERN Nc1ccc2oc3c(N)cccc3c2c1 238583953 572833234 /nfs/dbraw/zinc/83/32/34/572833234.db2.gz GBFWRHAMVJCGRC-UHFFFAOYSA-N 0 0 198.225 2.750 10 0 AFAERN O=Cc1sccc1Cc1ccco1 75393050 572833401 /nfs/dbraw/zinc/83/34/01/572833401.db2.gz FWTUEUYSNIHAGB-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN Cc1cc2ccc(F)cc2n1C 71494940 572833458 /nfs/dbraw/zinc/83/34/58/572833458.db2.gz ZQBSGUZHORLRQK-UHFFFAOYSA-N 0 0 163.195 2.626 10 0 AFAERN CCCCCCC1=C[C@@]1(C)CO 307955187 572833532 /nfs/dbraw/zinc/83/35/32/572833532.db2.gz DYMXJPGYMGQORG-NSHDSACASA-N 0 0 168.280 2.895 10 0 AFAERN Nc1ccc(OC2CC2)c2ccccc12 238582780 572833536 /nfs/dbraw/zinc/83/35/36/572833536.db2.gz UIISARRCCMSRMJ-UHFFFAOYSA-N 0 0 199.253 2.963 10 0 AFAERN CCC(=O)C[C@H]1CCCC[C@@H]1OC 308142690 572833646 /nfs/dbraw/zinc/83/36/46/572833646.db2.gz VJTSVJIONDCCKH-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1cc2cc(F)ccc2n1C 71494929 572833652 /nfs/dbraw/zinc/83/36/52/572833652.db2.gz GENHTPSLYBUMEE-UHFFFAOYSA-N 0 0 163.195 2.626 10 0 AFAERN CC(C)(C)/C=C\CCCCO 211048056 572833730 /nfs/dbraw/zinc/83/37/30/572833730.db2.gz KSMCUKCQQYPNQE-VURMDHGXSA-N 0 0 156.269 2.751 10 0 AFAERN CC(=O)c1occc1-c1ccco1 75386141 572833798 /nfs/dbraw/zinc/83/37/98/572833798.db2.gz SQUGEPSAXALHKM-UHFFFAOYSA-N 0 0 176.171 2.742 10 0 AFAERN C/C=C/CNc1ccc(OC)cc1C 234869368 572833929 /nfs/dbraw/zinc/83/39/29/572833929.db2.gz NZAZOSIIDXHQGQ-SNAWJCMRSA-N 0 0 191.274 2.992 10 0 AFAERN O=Cc1ccc(Cc2ccco2)s1 75386924 572834011 /nfs/dbraw/zinc/83/40/11/572834011.db2.gz LYROFZKAMWLVMF-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN CCC(=O)Nc1cc(C)c(C)s1 71492162 572834257 /nfs/dbraw/zinc/83/42/57/572834257.db2.gz AKVUOMGSJFFTFI-UHFFFAOYSA-N 0 0 183.276 2.713 10 0 AFAERN CC(C)CC(=O)c1ccc(N)s1 75387275 572834464 /nfs/dbraw/zinc/83/44/64/572834464.db2.gz GTZBQLWAYYZNNL-UHFFFAOYSA-N 0 0 183.276 2.559 10 0 AFAERN Cc1ccc2c(c1)/C(=C/[C@H](C)O)CC2 393586705 572834608 /nfs/dbraw/zinc/83/46/08/572834608.db2.gz URBKCFNDQZDEHJ-MJWAUXSNSA-N 0 0 188.270 2.705 10 0 AFAERN C[C@H](C1CC1)[C@@H](O)CCCC(F)F 687934277 572834673 /nfs/dbraw/zinc/83/46/73/572834673.db2.gz OZYRXIXBUJZHKW-APPZFPTMSA-N 0 0 192.249 2.829 10 0 AFAERN O=C1CCC=CC[C@H]2CCC[C@@H]12 238584970 572834712 /nfs/dbraw/zinc/83/47/12/572834712.db2.gz NUQZYTPOTMROFM-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN CCc1oc2ccc(C)cc2c1N 75393884 572834753 /nfs/dbraw/zinc/83/47/53/572834753.db2.gz LRZWTRSZIXKQKQ-UHFFFAOYSA-N 0 0 175.231 2.886 10 0 AFAERN CC(C)(C)C(=O)c1csc(N)c1 75387420 572834811 /nfs/dbraw/zinc/83/48/11/572834811.db2.gz YRFJZMLORYESPG-UHFFFAOYSA-N 0 0 183.276 2.559 10 0 AFAERN CCCCCCC1=C[C@]1(C)CO 307955185 572834848 /nfs/dbraw/zinc/83/48/48/572834848.db2.gz DYMXJPGYMGQORG-LLVKDONJSA-N 0 0 168.280 2.895 10 0 AFAERN Nc1ccc2ncc3c(c2c1)CCCC3 238582608 572834986 /nfs/dbraw/zinc/83/49/86/572834986.db2.gz QEJSVCKFYGSMAI-UHFFFAOYSA-N 0 0 198.269 2.696 10 0 AFAERN CC(=O)c1occc1-c1ccccn1 75386145 572835134 /nfs/dbraw/zinc/83/51/34/572835134.db2.gz RKZJGDIKTMERGP-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN O=Cc1sccc1CC(F)(F)F 75393028 572835177 /nfs/dbraw/zinc/83/51/77/572835177.db2.gz SVRMTQRLPHDFPT-UHFFFAOYSA-N 0 0 194.177 2.665 10 0 AFAERN CC(=O)c1occc1-c1ccncc1 75386149 572835179 /nfs/dbraw/zinc/83/51/79/572835179.db2.gz GYVHPJPJLCBZFU-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN O=C1CCC=CC[C@@H]2CCC[C@@H]12 238584928 572835243 /nfs/dbraw/zinc/83/52/43/572835243.db2.gz NUQZYTPOTMROFM-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@H](C1CC1)[C@H](O)CCCC(F)F 687934284 572835264 /nfs/dbraw/zinc/83/52/64/572835264.db2.gz OZYRXIXBUJZHKW-VXNVDRBHSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)CC(=O)c1csc(N)c1 75387428 572835303 /nfs/dbraw/zinc/83/53/03/572835303.db2.gz HORQRHWECVSDIT-UHFFFAOYSA-N 0 0 183.276 2.559 10 0 AFAERN CCc1csc2nc(C)cc(N)c12 75393317 572835667 /nfs/dbraw/zinc/83/56/67/572835667.db2.gz LJKMYXNGGZVNGX-UHFFFAOYSA-N 0 0 192.287 2.749 10 0 AFAERN COCC(=O)CCC1(C)CCCC1 308143140 572835557 /nfs/dbraw/zinc/83/55/57/572835557.db2.gz VXJLJZFYNNNLSX-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCc1oc2c(F)cccc2c1N 75393898 572835566 /nfs/dbraw/zinc/83/55/66/572835566.db2.gz PORORWFJZXCANX-UHFFFAOYSA-N 0 0 179.194 2.717 10 0 AFAERN C/C=C/CNc1ccc(OC)c(C)c1 234869483 572835903 /nfs/dbraw/zinc/83/59/03/572835903.db2.gz BXVOLCFRFLYSTK-SNAWJCMRSA-N 0 0 191.274 2.992 10 0 AFAERN CC(=O)c1occc1-c1cccnc1 75386147 572836016 /nfs/dbraw/zinc/83/60/16/572836016.db2.gz PLSIDPIBBBWCIT-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN C[C@@H](C1CC1)[C@H](O)CCCC(F)F 687934281 572836048 /nfs/dbraw/zinc/83/60/48/572836048.db2.gz OZYRXIXBUJZHKW-IONNQARKSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)SCC[C@H](CO)C(C)C 307956104 572836051 /nfs/dbraw/zinc/83/60/51/572836051.db2.gz FSFCMDMZVAORFO-SNVBAGLBSA-N 0 0 190.352 2.783 10 0 AFAERN COc1cc(C)cc(C)c1C(C)(C)O 234865571 572836088 /nfs/dbraw/zinc/83/60/88/572836088.db2.gz BGHIHWLIUWXMAT-UHFFFAOYSA-N 0 0 194.274 2.539 10 0 AFAERN CCc1ccc(C2(C(C)=O)CC2)cc1 71500222 572836491 /nfs/dbraw/zinc/83/64/91/572836491.db2.gz ZBVQGOZKVKQFIG-UHFFFAOYSA-N 0 0 188.270 2.870 10 0 AFAERN Nc1cc(C(=O)C2CCCC2)cs1 75387431 572836625 /nfs/dbraw/zinc/83/66/25/572836625.db2.gz WRMSZGPFTACOBO-UHFFFAOYSA-N 0 0 195.287 2.703 10 0 AFAERN C[C@@H](C1CC1)[C@@H](O)CCCC(F)F 687934279 572836665 /nfs/dbraw/zinc/83/66/65/572836665.db2.gz OZYRXIXBUJZHKW-CBAPKCEASA-N 0 0 192.249 2.829 10 0 AFAERN CC/C=C(/C)[C@@H](O)CCC 199072288 572836669 /nfs/dbraw/zinc/83/66/69/572836669.db2.gz RYIWDHRUNBWJCQ-XZLDQRQTSA-N 0 0 142.242 2.504 10 0 AFAERN CC(=O)c1cc2ccc(C)c(C)c2[nH]1 75393349 572836718 /nfs/dbraw/zinc/83/67/18/572836718.db2.gz DJBWIILCFHKUDT-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CC[C@H](CCSC(C)C)[C@H](C)O 307956875 572836782 /nfs/dbraw/zinc/83/67/82/572836782.db2.gz GMFZDUVPYPONNC-VHSXEESVSA-N 0 0 190.352 2.925 10 0 AFAERN CCC(=O)c1ccc2oc(C)nc2c1 71500339 572836846 /nfs/dbraw/zinc/83/68/46/572836846.db2.gz CKNFARNXMSUHKC-UHFFFAOYSA-N 0 0 189.214 2.729 10 0 AFAERN CC[C@H](CCSC(C)C)[C@@H](C)O 307956872 572838199 /nfs/dbraw/zinc/83/81/99/572838199.db2.gz GMFZDUVPYPONNC-NXEZZACHSA-N 0 0 190.352 2.925 10 0 AFAERN Cc1cccc(C(=O)c2cc[nH]c2)c1 71499672 572837011 /nfs/dbraw/zinc/83/70/11/572837011.db2.gz DYBMQFOEAXQWEX-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN CSc1ccc(C[C@@H](C)CO)cc1 199181483 572837057 /nfs/dbraw/zinc/83/70/57/572837057.db2.gz IGBKPNBMJQKRIT-SECBINFHSA-N 0 0 196.315 2.579 10 0 AFAERN CC(=O)c1cc2c(N)c(C)ccc2o1 75396800 572837067 /nfs/dbraw/zinc/83/70/67/572837067.db2.gz QTMDFQBYQUVTQL-UHFFFAOYSA-N 0 0 189.214 2.526 10 0 AFAERN CCc1cc2sc(C)c(C)n2c1N 75395894 572837241 /nfs/dbraw/zinc/83/72/41/572837241.db2.gz XAIKOSSSKFQXIT-UHFFFAOYSA-N 0 0 194.303 2.762 10 0 AFAERN CCc1cc2sc(C=O)cc2[nH]1 75395159 572837259 /nfs/dbraw/zinc/83/72/59/572837259.db2.gz FLOIZRPLBQJAFF-UHFFFAOYSA-N 0 0 179.244 2.604 10 0 AFAERN CCc1csc2cc(C)c(C=O)n12 75395367 572837470 /nfs/dbraw/zinc/83/74/70/572837470.db2.gz VBIWNFIPIKPEOU-UHFFFAOYSA-N 0 0 193.271 2.684 10 0 AFAERN Cc1ccccc1C(=O)c1cc[nH]c1 71499670 572837536 /nfs/dbraw/zinc/83/75/36/572837536.db2.gz UZMZPSIJHDVCPW-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN CC(C)SCC[C@@H](CO)C(C)C 307956103 572837555 /nfs/dbraw/zinc/83/75/55/572837555.db2.gz FSFCMDMZVAORFO-JTQLQIEISA-N 0 0 190.352 2.783 10 0 AFAERN Cc1cc(Cl)c(N)c2c1SCC2 75397135 572837647 /nfs/dbraw/zinc/83/76/47/572837647.db2.gz JLGARBJVGPZTBT-UHFFFAOYSA-N 0 0 199.706 2.879 10 0 AFAERN CCOc1cc(C)c(NC)cc1C 71497951 572837717 /nfs/dbraw/zinc/83/77/17/572837717.db2.gz ZIWZRHSLDWBXMR-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN COC(=N)CCCc1cccs1 71499415 572837791 /nfs/dbraw/zinc/83/77/91/572837791.db2.gz SEQZUUJXDUNUAN-UHFFFAOYSA-N 0 0 183.276 2.694 10 0 AFAERN CC(C)CC(=O)OC[C@@H](C)C1CC1 308142983 572837807 /nfs/dbraw/zinc/83/78/07/572837807.db2.gz JXZLUOPXDGAPEN-SECBINFHSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)C(C)(C)N[C@@H](C)C(F)(F)F 308143372 572837899 /nfs/dbraw/zinc/83/78/99/572837899.db2.gz KDCCEKCIAOICKL-ZETCQYMHSA-N 0 0 197.244 2.961 10 0 AFAERN CC(C)CC(=O)OC[C@H](C)C1CC1 308142984 572838082 /nfs/dbraw/zinc/83/80/82/572838082.db2.gz JXZLUOPXDGAPEN-VIFPVBQESA-N 0 0 184.279 2.622 10 0 AFAERN CC[C@@H](CCSC(C)C)[C@@H](C)O 307956877 572838109 /nfs/dbraw/zinc/83/81/09/572838109.db2.gz GMFZDUVPYPONNC-ZJUUUORDSA-N 0 0 190.352 2.925 10 0 AFAERN Nc1ccc2c(c1Cl)CCS2 75397121 572838580 /nfs/dbraw/zinc/83/85/80/572838580.db2.gz HKGOQZMIFUDAIM-UHFFFAOYSA-N 0 0 185.679 2.570 10 0 AFAERN Cc1cc(N)c(C)c2c1SCC2 75397126 572838623 /nfs/dbraw/zinc/83/86/23/572838623.db2.gz KQBKPILVNVTINF-UHFFFAOYSA-N 0 0 179.288 2.534 10 0 AFAERN CCc1nc2cc(C(C)=O)ccc2o1 71500341 572838663 /nfs/dbraw/zinc/83/86/63/572838663.db2.gz NNYXTTSIHDWPFV-UHFFFAOYSA-N 0 0 189.214 2.593 10 0 AFAERN CC[C@@H](CCSC(C)C)[C@H](C)O 307956874 572838680 /nfs/dbraw/zinc/83/86/80/572838680.db2.gz GMFZDUVPYPONNC-UWVGGRQHSA-N 0 0 190.352 2.925 10 0 AFAERN CC(=O)c1occc1C(F)(F)F 75394615 572838705 /nfs/dbraw/zinc/83/87/05/572838705.db2.gz GCZLWDCXUJVGMQ-UHFFFAOYSA-N 0 0 178.109 2.501 10 0 AFAERN CC(=O)c1cc2ccc(C)cc2n1C 75393451 572838707 /nfs/dbraw/zinc/83/87/07/572838707.db2.gz GDGDFHVLBCTOLM-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN CC(=O)c1occc1C(C)(C)C 75394616 572838786 /nfs/dbraw/zinc/83/87/86/572838786.db2.gz PTYWZKNBQFIZOL-UHFFFAOYSA-N 0 0 166.220 2.780 10 0 AFAERN Cc1cc(C(=O)C2CC2)n2ccccc12 75393549 572838800 /nfs/dbraw/zinc/83/88/00/572838800.db2.gz YFCKLWQEAAUQNJ-UHFFFAOYSA-N 0 0 199.253 2.840 10 0 AFAERN CCc1cc2scc(C)n2c1C=O 75395384 572838827 /nfs/dbraw/zinc/83/88/27/572838827.db2.gz MKXFNCLDCIDWII-UHFFFAOYSA-N 0 0 193.271 2.684 10 0 AFAERN C[C@H](F)CCS[C@H]1CCO[C@H]1C 307957570 572838965 /nfs/dbraw/zinc/83/89/65/572838965.db2.gz SHRXFJNVHSOTBM-CIUDSAMLSA-N 0 0 192.299 2.645 10 0 AFAERN CSc1ccc(C[C@H](C)CO)cc1 199181463 572838990 /nfs/dbraw/zinc/83/89/90/572838990.db2.gz IGBKPNBMJQKRIT-VIFPVBQESA-N 0 0 196.315 2.579 10 0 AFAERN CC(=O)c1c(-c2ccccc2)ccn1C 75393488 572839023 /nfs/dbraw/zinc/83/90/23/572839023.db2.gz NTCVXYOIFZUBOD-UHFFFAOYSA-N 0 0 199.253 2.895 10 0 AFAERN C[C@H](F)CCS[C@H]1CCO[C@@H]1C 307957576 572839045 /nfs/dbraw/zinc/83/90/45/572839045.db2.gz SHRXFJNVHSOTBM-YIZRAAEISA-N 0 0 192.299 2.645 10 0 AFAERN CCOc1ccc2sccc2c1N 75397105 572839076 /nfs/dbraw/zinc/83/90/76/572839076.db2.gz RAYKAKYDNGHOJE-UHFFFAOYSA-N 0 0 193.271 2.882 10 0 AFAERN Cc1ccc(C)c(CCCCON)c1 71506511 572839122 /nfs/dbraw/zinc/83/91/22/572839122.db2.gz FURKZAZTPIWFAY-UHFFFAOYSA-N 0 0 193.290 2.516 10 0 AFAERN CC(=O)c1n[nH]c(C)c1C1CCCC1 75394385 572839139 /nfs/dbraw/zinc/83/91/39/572839139.db2.gz PSUUKEQGBLAXOK-UHFFFAOYSA-N 0 0 192.262 2.578 10 0 AFAERN O=Cc1cc2[nH]c(C3CC3)cc2s1 75395164 572839237 /nfs/dbraw/zinc/83/92/37/572839237.db2.gz YGMRBGDPFCFHHI-UHFFFAOYSA-N 0 0 191.255 2.919 10 0 AFAERN CC(=O)c1cc2cccc(F)c2n1C 75393454 572839314 /nfs/dbraw/zinc/83/93/14/572839314.db2.gz JYKNVPFFWBXTNT-UHFFFAOYSA-N 0 0 191.205 2.520 10 0 AFAERN CC1(C(=O)c2ccc(F)c(F)c2)CC1 71507268 572839318 /nfs/dbraw/zinc/83/93/18/572839318.db2.gz SALURRQMGIRWCW-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN CC(=O)c1c(C(C)(C)C)ccn1C 75393486 572839377 /nfs/dbraw/zinc/83/93/77/572839377.db2.gz GQTSMVCDUQDGQK-UHFFFAOYSA-N 0 0 179.263 2.525 10 0 AFAERN Cc1ccc(C=CC(=O)N=[N+]=[N-])cc1 199174660 572839442 /nfs/dbraw/zinc/83/94/42/572839442.db2.gz IFVSVRKWJLKNIT-SREVYHEPSA-N 0 0 187.202 2.845 10 0 AFAERN Cc1cc(C)c(C(C)(C)CO)cc1C 71506212 572839629 /nfs/dbraw/zinc/83/96/29/572839629.db2.gz QIYJQMCYQYGKIR-UHFFFAOYSA-N 0 0 192.302 2.882 10 0 AFAERN O=Cc1occc1Cc1cccs1 75410428 572841069 /nfs/dbraw/zinc/84/10/69/572841069.db2.gz CWWOOEJXOLIDHJ-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN C[C@H]1CC[C@@]1(O)CCCC(F)(F)F 308148757 572840020 /nfs/dbraw/zinc/84/00/20/572840020.db2.gz PRUPFEJYOAVROU-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1ccc(CCCCON)cc1C 71506496 572840025 /nfs/dbraw/zinc/84/00/25/572840025.db2.gz PSNVRUNQMIBXQE-UHFFFAOYSA-N 0 0 193.290 2.516 10 0 AFAERN CC(=O)c1cc2cc(C)ccc2n1C 75393430 572840029 /nfs/dbraw/zinc/84/00/29/572840029.db2.gz ITKZPBMASYJGND-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN Nc1c(Cl)ccc2c1CCS2 75397125 572840053 /nfs/dbraw/zinc/84/00/53/572840053.db2.gz JTNSYFYVGWUNJQ-UHFFFAOYSA-N 0 0 185.679 2.570 10 0 AFAERN C[C@@H]1CC[C@]1(O)CCCC(F)(F)F 308148754 572840325 /nfs/dbraw/zinc/84/03/25/572840325.db2.gz PRUPFEJYOAVROU-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN CCOCSc1cc(C)ccc1N 85930413 572840427 /nfs/dbraw/zinc/84/04/27/572840427.db2.gz HKHKDWZVNMVGML-UHFFFAOYSA-N 0 0 197.303 2.663 10 0 AFAERN CCOc1ccc([C@H]2CO2)cc1Cl 71507772 572840474 /nfs/dbraw/zinc/84/04/74/572840474.db2.gz LRZWFLVGAIAZHI-SNVBAGLBSA-N 0 0 198.649 2.810 10 0 AFAERN C[C@@H]1CC[C@@]1(O)CCCC(F)(F)F 308148756 572840550 /nfs/dbraw/zinc/84/05/50/572840550.db2.gz PRUPFEJYOAVROU-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN CC(C)c1sc(C2CC2)nc1N 75404443 572840637 /nfs/dbraw/zinc/84/06/37/572840637.db2.gz GUIUGMRKPFDKHC-UHFFFAOYSA-N 0 0 182.292 2.726 10 0 AFAERN Cc1nc(N)c(-c2cccs2)s1 75404760 572840657 /nfs/dbraw/zinc/84/06/57/572840657.db2.gz WLVPNUTUBVDUCM-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN COC(=N)CCCc1ccc(F)cc1 71507047 572840862 /nfs/dbraw/zinc/84/08/62/572840862.db2.gz MXPANDIQUOEZQI-UHFFFAOYSA-N 0 0 195.237 2.772 10 0 AFAERN C[C@H]1CC[C@]1(O)CCCC(F)(F)F 308148755 572840962 /nfs/dbraw/zinc/84/09/62/572840962.db2.gz PRUPFEJYOAVROU-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1ccc(CCCCON)c(C)c1 71506530 572841055 /nfs/dbraw/zinc/84/10/55/572841055.db2.gz FTBQQCNWASRCQP-UHFFFAOYSA-N 0 0 193.290 2.516 10 0 AFAERN CC(=O)c1onc(C(C)C)c1C1CC1 75404892 572841181 /nfs/dbraw/zinc/84/11/81/572841181.db2.gz RWNSXIFQYGJCKL-UHFFFAOYSA-N 0 0 193.246 2.878 10 0 AFAERN CC(C)(C)Cc1ccoc1C=O 75410350 572841201 /nfs/dbraw/zinc/84/12/01/572841201.db2.gz IPIMZIXNVFAWIC-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN Cc1ccc2c(c1C)N[C@@H](C)C[C@@H]2O 71481550 572841259 /nfs/dbraw/zinc/84/12/59/572841259.db2.gz UUTLQELVNGZFSI-KWQFWETISA-N 0 0 191.274 2.541 10 0 AFAERN CC(=O)c1onc(C2CC2)c1C(C)C 75404913 572841284 /nfs/dbraw/zinc/84/12/84/572841284.db2.gz CWMXQOSECNSVAB-UHFFFAOYSA-N 0 0 193.246 2.878 10 0 AFAERN CCc1cc(N)c2nc(C)sc2c1 75398071 572841412 /nfs/dbraw/zinc/84/14/12/572841412.db2.gz FJTLIWFDNDMFDI-UHFFFAOYSA-N 0 0 192.287 2.749 10 0 AFAERN Cc1ccc2c(c1C)N[C@H](C)C[C@@H]2O 71481549 572841614 /nfs/dbraw/zinc/84/16/14/572841614.db2.gz UUTLQELVNGZFSI-KCJUWKMLSA-N 0 0 191.274 2.541 10 0 AFAERN C[C@H](F)CCS[C@@H]1CCO[C@H]1C 307957574 572841978 /nfs/dbraw/zinc/84/19/78/572841978.db2.gz SHRXFJNVHSOTBM-XHNCKOQMSA-N 0 0 192.299 2.645 10 0 AFAERN CCCCSc1cc(C)c(N)cn1 86003671 572842047 /nfs/dbraw/zinc/84/20/47/572842047.db2.gz DCNKBCHZFDXKCI-UHFFFAOYSA-N 0 0 196.319 2.864 10 0 AFAERN CCc1c(C=O)[nH]c2c(C)cccc12 75404235 572842206 /nfs/dbraw/zinc/84/22/06/572842206.db2.gz JMOQZWGHWHMDMK-UHFFFAOYSA-N 0 0 187.242 2.851 10 0 AFAERN CC(=O)c1onc(C2CC2)c1C1CC1 75404914 572842273 /nfs/dbraw/zinc/84/22/73/572842273.db2.gz IEBZVBWJNDWCHG-UHFFFAOYSA-N 0 0 191.230 2.632 10 0 AFAERN CCOCSc1cccc(C)c1N 85936823 572842278 /nfs/dbraw/zinc/84/22/78/572842278.db2.gz IAWMZQINDWUMOJ-UHFFFAOYSA-N 0 0 197.303 2.663 10 0 AFAERN CC(C)c1nc(N)c(C2CC2)s1 75404434 572842498 /nfs/dbraw/zinc/84/24/98/572842498.db2.gz MTXADRMUNCPRLC-UHFFFAOYSA-N 0 0 182.292 2.726 10 0 AFAERN CCOCSc1cc(N)ccc1C 85934817 572842509 /nfs/dbraw/zinc/84/25/09/572842509.db2.gz QQNUHUQIIHKBHY-UHFFFAOYSA-N 0 0 197.303 2.663 10 0 AFAERN CC(=O)c1cc(-c2ccsc2)no1 75405315 572842518 /nfs/dbraw/zinc/84/25/18/572842518.db2.gz NRJVQJBTZFFJEC-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN Cc1nc(CC(C)(C)C)sc1N 75404338 572842560 /nfs/dbraw/zinc/84/25/60/572842560.db2.gz YFPHCNPTGVFETM-UHFFFAOYSA-N 0 0 184.308 2.622 10 0 AFAERN CC(C)=C[C@@H](C)OC(=O)CC(C)C 308151015 572843596 /nfs/dbraw/zinc/84/35/96/572843596.db2.gz OJCFEWIBRRWRBH-SNVBAGLBSA-N 0 0 184.279 2.930 10 0 AFAERN CC(C)c1nc(N)c(C(C)C)s1 75404433 572842814 /nfs/dbraw/zinc/84/28/14/572842814.db2.gz IHFVQUMQJIAQQC-UHFFFAOYSA-N 0 0 184.308 2.972 10 0 AFAERN Cc1ccc2c(c1C)N[C@@H](C)C[C@H]2O 71481552 572842888 /nfs/dbraw/zinc/84/28/88/572842888.db2.gz UUTLQELVNGZFSI-GZMMTYOYSA-N 0 0 191.274 2.541 10 0 AFAERN CC(C)CCc1ccoc1C=O 75410365 572843019 /nfs/dbraw/zinc/84/30/19/572843019.db2.gz JXRHDVQAGLVQIN-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN CCOCSc1ccc(N)c(C)c1 85931931 572843054 /nfs/dbraw/zinc/84/30/54/572843054.db2.gz WYPJSAIZYJVJLA-UHFFFAOYSA-N 0 0 197.303 2.663 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)c1cscn1 308149302 572843100 /nfs/dbraw/zinc/84/31/00/572843100.db2.gz PXBIUJVLVYPVSG-WCBMZHEXSA-N 0 0 199.319 2.859 10 0 AFAERN CC(C)=CC[C@H](C)[C@@H]1C[C@]1(C)CO 308149248 572843122 /nfs/dbraw/zinc/84/31/22/572843122.db2.gz FZLOGXXTGWFQFP-SDDRHHMPSA-N 0 0 182.307 2.997 10 0 AFAERN CCc1ccc2nc(C=O)c(C)cc2c1 77255018 572843159 /nfs/dbraw/zinc/84/31/59/572843159.db2.gz OUKYPXKLBPYDHZ-UHFFFAOYSA-N 0 0 199.253 2.918 10 0 AFAERN Cc1cc(C)c2cc(C)c(C=O)nc2c1 77255000 572843212 /nfs/dbraw/zinc/84/32/12/572843212.db2.gz WXKZMCWRKFYNIC-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN CC(C)C(=O)O[C@@H](C)C1CCCC1 308149858 572843228 /nfs/dbraw/zinc/84/32/28/572843228.db2.gz NSHFUYRAZDLGHZ-VIFPVBQESA-N 0 0 184.279 2.764 10 0 AFAERN C/C=C(/c1ccccc1)[C@@H](O)CC 308150786 572843348 /nfs/dbraw/zinc/84/33/48/572843348.db2.gz HORCHDSRFUGCRO-LCKPPEIMSA-N 0 0 176.259 2.861 10 0 AFAERN C/C=C(/c1ccccc1)[C@H](O)CC 308150780 572843440 /nfs/dbraw/zinc/84/34/40/572843440.db2.gz HORCHDSRFUGCRO-CTPBAPBTSA-N 0 0 176.259 2.861 10 0 AFAERN Cc1cc2ccc(C)c(C)c2nc1C=O 77255002 572843529 /nfs/dbraw/zinc/84/35/29/572843529.db2.gz TUPMMUPRCVCQBZ-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN CC(C)=C[C@H](C)OC(=O)CC(C)C 308151013 572843505 /nfs/dbraw/zinc/84/35/05/572843505.db2.gz OJCFEWIBRRWRBH-JTQLQIEISA-N 0 0 184.279 2.930 10 0 AFAERN O=Cc1occc1CC1CCCC1 75410372 572843723 /nfs/dbraw/zinc/84/37/23/572843723.db2.gz GTGZVSLPXUNAHA-UHFFFAOYSA-N 0 0 178.231 2.825 10 0 AFAERN C/C=C\C(=O)OCCC(C)(C)C 307958712 572844011 /nfs/dbraw/zinc/84/40/11/572844011.db2.gz UEZMOSKWCWIPLX-WAYWQWQTSA-N 0 0 170.252 2.542 10 0 AFAERN Cc1sccc1[C@H](O)[C@@H]1C[C@H]1C 299899123 572844522 /nfs/dbraw/zinc/84/45/22/572844522.db2.gz YFXGQOXLHCMIRL-DRTBCBBWSA-N 0 0 182.288 2.746 10 0 AFAERN Cc1cc2c(C)ccc(C)c2nc1C=O 77255001 572844741 /nfs/dbraw/zinc/84/47/41/572844741.db2.gz MKIKHPILMZCWNK-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN C/C=C/C(=O)OCCC(C)(C)C 307958711 572844722 /nfs/dbraw/zinc/84/47/22/572844722.db2.gz UEZMOSKWCWIPLX-AATRIKPKSA-N 0 0 170.252 2.542 10 0 AFAERN O=Cc1cc(Cc2cccs2)co1 75424324 572844723 /nfs/dbraw/zinc/84/47/23/572844723.db2.gz ZKYNXUVFHOPQHL-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN O=Cc1[nH]ccc1CC1CCCC1 75425307 572845194 /nfs/dbraw/zinc/84/51/94/572845194.db2.gz BBHARHQOMRWEHX-UHFFFAOYSA-N 0 0 177.247 2.560 10 0 AFAERN CC(C)(C)Cc1cc(N)sc1C=O 75425213 572845284 /nfs/dbraw/zinc/84/52/84/572845284.db2.gz UEPLGXWPOVIYAK-UHFFFAOYSA-N 0 0 197.303 2.731 10 0 AFAERN CCC[C@H](C)C(=O)OC1CC(C)C1 308152717 572845317 /nfs/dbraw/zinc/84/53/17/572845317.db2.gz ACNCSPHKCRXKPW-KYHHOPLUSA-N 0 0 184.279 2.764 10 0 AFAERN Cc1cccc(Cc2ccc(C=O)[nH]2)c1 75425722 572845431 /nfs/dbraw/zinc/84/54/31/572845431.db2.gz ZAPUGEGVEXQUKK-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN Nc1ccc(C(=O)C2CCCCC2)o1 75424678 572845445 /nfs/dbraw/zinc/84/54/45/572845445.db2.gz PJIDBOKDEXVSGA-UHFFFAOYSA-N 0 0 193.246 2.625 10 0 AFAERN CC(C)(C)COC(=O)CC1CCC1 308152165 572845501 /nfs/dbraw/zinc/84/55/01/572845501.db2.gz OYSYOMKIDXVCPN-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN Cc1sccc1[C@H](O)[C@H]1C[C@H]1C 299899124 572845503 /nfs/dbraw/zinc/84/55/03/572845503.db2.gz YFXGQOXLHCMIRL-UASFKTIASA-N 0 0 182.288 2.746 10 0 AFAERN Cc1ccccc1Cc1ccc(C=O)[nH]1 75425721 572845531 /nfs/dbraw/zinc/84/55/31/572845531.db2.gz BZSVUFBWRZUHSD-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN CC(C)CCc1cc(N)sc1C=O 75425217 572845661 /nfs/dbraw/zinc/84/56/61/572845661.db2.gz RJNYAQNUWOBSCV-UHFFFAOYSA-N 0 0 197.303 2.731 10 0 AFAERN CC(C)=C[C@@H](O)CCc1ccccc1 86020229 572845684 /nfs/dbraw/zinc/84/56/84/572845684.db2.gz JPYKHFPSGMGJBD-ZDUSSCGKSA-N 0 0 190.286 2.946 10 0 AFAERN CC(C)CCc1cc(C=O)sc1N 75425129 572845752 /nfs/dbraw/zinc/84/57/52/572845752.db2.gz IKGIBKDJURZRQA-UHFFFAOYSA-N 0 0 197.303 2.731 10 0 AFAERN CC(C)CCc1ccc(C=O)o1 75424831 572845884 /nfs/dbraw/zinc/84/58/84/572845884.db2.gz WVKWXTBWYCOOLQ-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN CC(C)CCc1coc(C=O)c1 75424301 572845894 /nfs/dbraw/zinc/84/58/94/572845894.db2.gz IHDJKZWWAOMRDD-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN CCc1ccccc1[C@@H](CC)CO 308151074 572846028 /nfs/dbraw/zinc/84/60/28/572846028.db2.gz ICZQHKAUUCGFMO-NSHDSACASA-N 0 0 178.275 2.735 10 0 AFAERN O=Cc1ccc(CC2CCCC2)[nH]1 75425717 572846188 /nfs/dbraw/zinc/84/61/88/572846188.db2.gz AAMGFFDLDQAUPX-UHFFFAOYSA-N 0 0 177.247 2.560 10 0 AFAERN Cc1ccccc1Cc1cc[nH]c1C=O 75425313 572846192 /nfs/dbraw/zinc/84/61/92/572846192.db2.gz JMGDWBQWNMMYIM-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN CC(C)(C)Cc1coc(C=O)c1 75424296 572846230 /nfs/dbraw/zinc/84/62/30/572846230.db2.gz DFXJEJGFKJDQFT-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN Cc1cccc(Cc2cc[nH]c2C=O)c1 75425314 572846234 /nfs/dbraw/zinc/84/62/34/572846234.db2.gz MEONWEAMSKIFPR-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN O=Cc1ccc(CC2CCCC2)o1 75424833 572846262 /nfs/dbraw/zinc/84/62/62/572846262.db2.gz QMQZULRCTQBGFJ-UHFFFAOYSA-N 0 0 178.231 2.825 10 0 AFAERN CC(C)(C)Cc1cc(C=O)sc1N 75425124 572846315 /nfs/dbraw/zinc/84/63/15/572846315.db2.gz BUFXZQXPYNDKIE-UHFFFAOYSA-N 0 0 197.303 2.731 10 0 AFAERN CC(C)=C[C@H](O)CCc1ccccc1 86020226 572846333 /nfs/dbraw/zinc/84/63/33/572846333.db2.gz JPYKHFPSGMGJBD-CYBMUJFWSA-N 0 0 190.286 2.946 10 0 AFAERN C/C=C\COc1ccc(Cl)c(N)c1 308151650 572846407 /nfs/dbraw/zinc/84/64/07/572846407.db2.gz RBZISJBCBQAFKL-IHWYPQMZSA-N 0 0 197.665 2.877 10 0 AFAERN O=Cc1cc(CC2CCCC2)co1 75424303 572846469 /nfs/dbraw/zinc/84/64/69/572846469.db2.gz MHPNMIXEYGFAKG-UHFFFAOYSA-N 0 0 178.231 2.825 10 0 AFAERN O=Cc1ccc(Cc2cccs2)o1 75424845 572846541 /nfs/dbraw/zinc/84/65/41/572846541.db2.gz RKJQCMSVAUWFFK-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN O=Cc1[nH]ccc1CC1CCCCC1 75425304 572846765 /nfs/dbraw/zinc/84/67/65/572846765.db2.gz CJKIARSKHHGKPJ-UHFFFAOYSA-N 0 0 191.274 2.950 10 0 AFAERN CCC[C@@H](C)C(=O)OC1CC(C)C1 308152716 572846829 /nfs/dbraw/zinc/84/68/29/572846829.db2.gz ACNCSPHKCRXKPW-HWOCKDDLSA-N 0 0 184.279 2.764 10 0 AFAERN Cn1c(C=O)ccc1CC1CCCC1 75425616 572846937 /nfs/dbraw/zinc/84/69/37/572846937.db2.gz UWTXQIIWBJMGKU-UHFFFAOYSA-N 0 0 191.274 2.570 10 0 AFAERN Cc1ccc(Cc2cc[nH]c2C=O)cc1 75425312 572846963 /nfs/dbraw/zinc/84/69/63/572846963.db2.gz GOBHAPSOIRFRGT-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN O=Cc1csc2cccc(F)c12 75426397 572847000 /nfs/dbraw/zinc/84/70/00/572847000.db2.gz GTYFXMMGSZDYLF-UHFFFAOYSA-N 0 0 180.203 2.853 10 0 AFAERN CC/C=C\c1ccc(C[C@H](C)O)o1 308152540 572847190 /nfs/dbraw/zinc/84/71/90/572847190.db2.gz JMMGJULXMYHNGH-WBSSQXGSSA-N 0 0 180.247 2.626 10 0 AFAERN O=Cc1cc2ncc3ccccc3c2[nH]1 238587248 572847216 /nfs/dbraw/zinc/84/72/16/572847216.db2.gz LJGOEAIPPZCQFQ-UHFFFAOYSA-N 0 0 196.209 2.529 10 0 AFAERN COc1ccc2c(c1)N[C@H](C)[C@@H]2C 71484450 572847294 /nfs/dbraw/zinc/84/72/94/572847294.db2.gz ZNACWNQDVDVHDP-JGVFFNPUSA-N 0 0 177.247 2.613 10 0 AFAERN CCc1c(C=O)sc2cccnc12 75426741 572847392 /nfs/dbraw/zinc/84/73/92/572847392.db2.gz HPOCIIPQJAIXHZ-UHFFFAOYSA-N 0 0 191.255 2.671 10 0 AFAERN C[C@H]1Nc2c(F)cccc2[C@H]1C 71484481 572847408 /nfs/dbraw/zinc/84/74/08/572847408.db2.gz KUJQTZVFIKWTJV-NKWVEPMBSA-N 0 0 165.211 2.743 10 0 AFAERN COc1ccc2c(c1)[C@H](C)[C@@H](C)N2 71484422 572847413 /nfs/dbraw/zinc/84/74/13/572847413.db2.gz NFVOUDOZYBZNOX-HTQZYQBOSA-N 0 0 177.247 2.613 10 0 AFAERN CSc1cc[nH]c1C(=O)C(C)C 75483205 572847435 /nfs/dbraw/zinc/84/74/35/572847435.db2.gz CKUGOIDGZCTCRG-UHFFFAOYSA-N 0 0 183.276 2.575 10 0 AFAERN Cn1cccc1-c1ccc(C=O)s1 75426904 572847596 /nfs/dbraw/zinc/84/75/96/572847596.db2.gz YPJVTBLEZGYJDB-UHFFFAOYSA-N 0 0 191.255 2.566 10 0 AFAERN Cc1cc(N)c2occc2c1Cl 75428027 572847619 /nfs/dbraw/zinc/84/76/19/572847619.db2.gz BIVNHCCXGSSVMG-UHFFFAOYSA-N 0 0 181.622 2.977 10 0 AFAERN CC/C=C\c1ccc(C[C@@H](C)O)o1 308152543 572847639 /nfs/dbraw/zinc/84/76/39/572847639.db2.gz JMMGJULXMYHNGH-XRVBUDJMSA-N 0 0 180.247 2.626 10 0 AFAERN CSc1c(C=O)csc1C 75481082 572847696 /nfs/dbraw/zinc/84/76/96/572847696.db2.gz OPSYWHWYFNTWOA-UHFFFAOYSA-N 0 0 172.274 2.591 10 0 AFAERN CSc1ccoc1C(=O)C1CC1 75481793 572847915 /nfs/dbraw/zinc/84/79/15/572847915.db2.gz PSAVMYIMUWUALP-UHFFFAOYSA-N 0 0 182.244 2.594 10 0 AFAERN O=Cc1ccc(-c2ccc(Cl)[nH]2)o1 75426914 572847928 /nfs/dbraw/zinc/84/79/28/572847928.db2.gz XFCIHYYCRAPDOF-UHFFFAOYSA-N 0 0 195.605 2.741 10 0 AFAERN CC(C)CNc1cc(C=O)cs1 75491128 572847943 /nfs/dbraw/zinc/84/79/43/572847943.db2.gz MXUMZIJFCDPXEE-UHFFFAOYSA-N 0 0 183.276 2.629 10 0 AFAERN Nc1csc(NCc2ccco2)c1 75491080 572847967 /nfs/dbraw/zinc/84/79/67/572847967.db2.gz QGAQCUIVJOLNBS-UHFFFAOYSA-N 0 0 194.259 2.535 10 0 AFAERN COc1cccc2c1[C@@H](C)[C@H](C)N2 71484462 572847997 /nfs/dbraw/zinc/84/79/97/572847997.db2.gz SBRGEHXXHNSBQI-YUMQZZPRSA-N 0 0 177.247 2.613 10 0 AFAERN Cc1c(C=O)oc2c(F)cc(F)cc12 75427129 572848031 /nfs/dbraw/zinc/84/80/31/572848031.db2.gz BJLMIZRNXWYVJO-UHFFFAOYSA-N 0 0 196.152 2.832 10 0 AFAERN CCCc1c(SC)c(C=O)cn1C 75486285 572848083 /nfs/dbraw/zinc/84/80/83/572848083.db2.gz UOBYDDACEBSBTK-UHFFFAOYSA-N 0 0 197.303 2.512 10 0 AFAERN Nc1csc(N2CCCCCC2)c1 75491035 572848102 /nfs/dbraw/zinc/84/81/02/572848102.db2.gz PQQSGKJJZBFFGQ-UHFFFAOYSA-N 0 0 196.319 2.711 10 0 AFAERN CCc1c(C=O)oc2c(F)cccc12 75426998 572848122 /nfs/dbraw/zinc/84/81/22/572848122.db2.gz JPNAQRPBFYEPAS-UHFFFAOYSA-N 0 0 192.189 2.947 10 0 AFAERN C[C@H]1c2cccc(F)c2N[C@@H]1C 71484483 572848131 /nfs/dbraw/zinc/84/81/31/572848131.db2.gz KUJQTZVFIKWTJV-RNFRBKRXSA-N 0 0 165.211 2.743 10 0 AFAERN CC(=O)c1ccc(-c2ccon2)s1 75427183 572848156 /nfs/dbraw/zinc/84/81/56/572848156.db2.gz SMBPPMKHCGPIDQ-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CSc1c(C=O)c[nH]c1CC1CC1 75483958 572848227 /nfs/dbraw/zinc/84/82/27/572848227.db2.gz KOOACGREDVWAPD-UHFFFAOYSA-N 0 0 195.287 2.502 10 0 AFAERN CCCc1occ(C=O)c1SC 75482429 572848328 /nfs/dbraw/zinc/84/83/28/572848328.db2.gz XPGZMDILDMFWSD-UHFFFAOYSA-N 0 0 184.260 2.767 10 0 AFAERN CSc1c(N)c[nH]c1CCC(C)C 75484481 572848333 /nfs/dbraw/zinc/84/83/33/572848333.db2.gz NVXWCQNPOOOBEM-UHFFFAOYSA-N 0 0 198.335 2.907 10 0 AFAERN O=Cc1c(Cl)sc2ncccc12 75426641 572848368 /nfs/dbraw/zinc/84/83/68/572848368.db2.gz UQWIREHGEQEYBS-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN COc1cccc2c1[C@H](C)[C@@H](C)N2 71484460 572848392 /nfs/dbraw/zinc/84/83/92/572848392.db2.gz SBRGEHXXHNSBQI-HTQZYQBOSA-N 0 0 177.247 2.613 10 0 AFAERN CCc1ccc2[nH]c(C=O)c(C)c2c1 77588299 572848557 /nfs/dbraw/zinc/84/85/57/572848557.db2.gz FSDAKIGHHIKSPX-UHFFFAOYSA-N 0 0 187.242 2.851 10 0 AFAERN CSc1cc(N)c(CC(C)C)n1C 75490292 572848629 /nfs/dbraw/zinc/84/86/29/572848629.db2.gz BCOXZLPSTJRGFY-UHFFFAOYSA-N 0 0 198.335 2.528 10 0 AFAERN CC/C=C(\CCC)C(=O)NC(C)C 308153141 572848643 /nfs/dbraw/zinc/84/86/43/572848643.db2.gz AEXXCHHOVSVYFK-JXMROGBWSA-N 0 0 183.295 2.648 10 0 AFAERN O=Cc1c(Cl)sc2cccnc12 75426643 572848655 /nfs/dbraw/zinc/84/86/55/572848655.db2.gz KHIWXDSWVFWUHC-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN O=Cc1csc(N2CCCCC2)c1 75491098 572848714 /nfs/dbraw/zinc/84/87/14/572848714.db2.gz WCARQVABFCOYNE-UHFFFAOYSA-N 0 0 195.287 2.551 10 0 AFAERN CC(C)/C=C/C(=O)OC1CCCC1 308145362 572848802 /nfs/dbraw/zinc/84/88/02/572848802.db2.gz LMGVKKMLZYVHQQ-BQYQJAHWSA-N 0 0 182.263 2.684 10 0 AFAERN CCc1c(C=O)sc2ccncc12 75426740 572848820 /nfs/dbraw/zinc/84/88/20/572848820.db2.gz JEGOXGXCBGJEOS-UHFFFAOYSA-N 0 0 191.255 2.671 10 0 AFAERN CC(C)CNc1ccc(C=O)s1 75490993 572848855 /nfs/dbraw/zinc/84/88/55/572848855.db2.gz YJWRHWWQKYIDAQ-UHFFFAOYSA-N 0 0 183.276 2.629 10 0 AFAERN O=Cc1ccc2c3c(ccc2c1)OCC3 238588281 572848858 /nfs/dbraw/zinc/84/88/58/572848858.db2.gz JZYBAGUEOKHVKH-UHFFFAOYSA-N 0 0 198.221 2.587 10 0 AFAERN CSc1cc(N)c(CC(C)(C)C)[nH]1 75489977 572848904 /nfs/dbraw/zinc/84/89/04/572848904.db2.gz FYEUENDSIYOBSQ-UHFFFAOYSA-N 0 0 198.335 2.907 10 0 AFAERN CCCc1nc(C=O)cc2ccccc12 77256166 572848907 /nfs/dbraw/zinc/84/89/07/572848907.db2.gz SRCVYYOAQJKNMT-UHFFFAOYSA-N 0 0 199.253 3.000 10 0 AFAERN CSc1cc(N)c(CCC(C)C)[nH]1 75489997 572848933 /nfs/dbraw/zinc/84/89/33/572848933.db2.gz RUIHMGKHRLKZSH-UHFFFAOYSA-N 0 0 198.335 2.907 10 0 AFAERN CCc1c(C=O)sc2cnccc12 75426742 572849027 /nfs/dbraw/zinc/84/90/27/572849027.db2.gz PTSJHHAYANMGFD-UHFFFAOYSA-N 0 0 191.255 2.671 10 0 AFAERN C[C@H]1Nc2ccc(F)cc2[C@H]1C 71484398 572849078 /nfs/dbraw/zinc/84/90/78/572849078.db2.gz FTPWFFDMJLLGQU-NKWVEPMBSA-N 0 0 165.211 2.743 10 0 AFAERN CC/C=C(/CCC)C(=O)NC(C)C 308153142 572849150 /nfs/dbraw/zinc/84/91/50/572849150.db2.gz AEXXCHHOVSVYFK-YFHOEESVSA-N 0 0 183.295 2.648 10 0 AFAERN Cc1sccc1[C@@H]1CC[C@@H](O)[C@H]1C 299897315 572849244 /nfs/dbraw/zinc/84/92/44/572849244.db2.gz JZVARYINHPMJCW-JVUFJMBOSA-N 0 0 196.315 2.931 10 0 AFAERN C[C@H]1c2cc(F)ccc2N[C@@H]1C 71484400 572849278 /nfs/dbraw/zinc/84/92/78/572849278.db2.gz FTPWFFDMJLLGQU-RNFRBKRXSA-N 0 0 165.211 2.743 10 0 AFAERN COc1ccc2c(c1)[C@@H](C)[C@@H](C)N2 71484420 572849307 /nfs/dbraw/zinc/84/93/07/572849307.db2.gz NFVOUDOZYBZNOX-JGVFFNPUSA-N 0 0 177.247 2.613 10 0 AFAERN Cc1cc(C)c2c(C)c(C=O)[nH]c2c1 77588284 572849321 /nfs/dbraw/zinc/84/93/21/572849321.db2.gz WIQDHYGYOOCMIU-UHFFFAOYSA-N 0 0 187.242 2.906 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C)[C@@H](C)N2 71484374 572849334 /nfs/dbraw/zinc/84/93/34/572849334.db2.gz URZVLAFRPLGILF-DTWKUNHWSA-N 0 0 161.248 2.913 10 0 AFAERN CC(C)(C)COC(=O)C1CC=CC1 308153733 572849343 /nfs/dbraw/zinc/84/93/43/572849343.db2.gz PYPNVCHPDGOFGO-UHFFFAOYSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)C[C@H](C)CNc1c[nH]cn1 308153435 572849371 /nfs/dbraw/zinc/84/93/71/572849371.db2.gz PSNGMVUWXBBTDZ-VIFPVBQESA-N 0 0 181.283 2.504 10 0 AFAERN CSc1c(N)cn(C)c1CC(C)C 75486481 572849375 /nfs/dbraw/zinc/84/93/75/572849375.db2.gz PTTWSGSBLMZEDG-UHFFFAOYSA-N 0 0 198.335 2.528 10 0 AFAERN COc1ccc2c(c1)[C@H](C)[C@H](C)N2 71484425 572849381 /nfs/dbraw/zinc/84/93/81/572849381.db2.gz NFVOUDOZYBZNOX-SFYZADRCSA-N 0 0 177.247 2.613 10 0 AFAERN CSc1ccoc1C(=O)C(C)C 75481783 572849386 /nfs/dbraw/zinc/84/93/86/572849386.db2.gz WDTSOIAPDGFEJE-UHFFFAOYSA-N 0 0 184.260 2.840 10 0 AFAERN Cc1c(C=O)oc2cccc(F)c12 75427037 572849395 /nfs/dbraw/zinc/84/93/95/572849395.db2.gz GRVFNNLWMCTHHE-UHFFFAOYSA-N 0 0 178.162 2.693 10 0 AFAERN CC(C)C[C@@H](C)CNc1c[nH]cn1 308153433 572849891 /nfs/dbraw/zinc/84/98/91/572849891.db2.gz PSNGMVUWXBBTDZ-SECBINFHSA-N 0 0 181.283 2.504 10 0 AFAERN CCc1scc(C=O)c1SC 75481043 572849484 /nfs/dbraw/zinc/84/94/84/572849484.db2.gz SVFSZFVFSSSTNF-UHFFFAOYSA-N 0 0 186.301 2.845 10 0 AFAERN CC(C)CNc1cccs1 75490953 572849533 /nfs/dbraw/zinc/84/95/33/572849533.db2.gz UVMMHJUTYHUDRL-UHFFFAOYSA-N 0 0 155.266 2.816 10 0 AFAERN CCc1nc(C=O)cc2cc(C)ccc12 77256330 572849569 /nfs/dbraw/zinc/84/95/69/572849569.db2.gz USZMZGYDEQBKAV-UHFFFAOYSA-N 0 0 199.253 2.918 10 0 AFAERN CSc1cc(N)c(CC(C)C)[nH]1 75489990 572849554 /nfs/dbraw/zinc/84/95/54/572849554.db2.gz WGHMYUFOLBAAGL-UHFFFAOYSA-N 0 0 184.308 2.517 10 0 AFAERN CSc1cc[nH]c1C(=O)C(C)(C)C 75483200 572849652 /nfs/dbraw/zinc/84/96/52/572849652.db2.gz BOQFGJUFCYKJNG-UHFFFAOYSA-N 0 0 197.303 2.965 10 0 AFAERN CSc1cc[nH]c1C(=O)CC(C)C 75483209 572849690 /nfs/dbraw/zinc/84/96/90/572849690.db2.gz CBSNLKDNKQPIRF-UHFFFAOYSA-N 0 0 197.303 2.965 10 0 AFAERN C[C@@H]1Nc2c(F)cccc2[C@@H]1C 71484487 572849695 /nfs/dbraw/zinc/84/96/95/572849695.db2.gz KUJQTZVFIKWTJV-RQJHMYQMSA-N 0 0 165.211 2.743 10 0 AFAERN CCCC[C@H](NN)C1(CCC)CC1 308144540 572849727 /nfs/dbraw/zinc/84/97/27/572849727.db2.gz NDUOPGVVLGTBAG-JTQLQIEISA-N 0 0 184.327 2.589 10 0 AFAERN CSc1c(N)c[nH]c1CC(C)C 75484475 572849820 /nfs/dbraw/zinc/84/98/20/572849820.db2.gz OITLTBXHEVYAGO-UHFFFAOYSA-N 0 0 184.308 2.517 10 0 AFAERN CCCc1[nH]cc(C=O)c1SC 75483944 572849847 /nfs/dbraw/zinc/84/98/47/572849847.db2.gz RNRHECAMWKLYLE-UHFFFAOYSA-N 0 0 183.276 2.502 10 0 AFAERN C[C@@H]1Nc2c(F)cccc2[C@H]1C 71484485 572849901 /nfs/dbraw/zinc/84/99/01/572849901.db2.gz KUJQTZVFIKWTJV-BQBZGAKWSA-N 0 0 165.211 2.743 10 0 AFAERN COc1cccc2oc(C=O)c(C)c12 75427027 572849947 /nfs/dbraw/zinc/84/99/47/572849947.db2.gz GVBPLDXPDFMBGQ-UHFFFAOYSA-N 0 0 190.198 2.562 10 0 AFAERN COc1cccc2c1[C@H](C)[C@H](C)N2 71484464 572849957 /nfs/dbraw/zinc/84/99/57/572849957.db2.gz SBRGEHXXHNSBQI-SFYZADRCSA-N 0 0 177.247 2.613 10 0 AFAERN Cn1c(C=O)ccc1-c1cccs1 75426940 572849971 /nfs/dbraw/zinc/84/99/71/572849971.db2.gz WAESEMYUPOJUEZ-UHFFFAOYSA-N 0 0 191.255 2.566 10 0 AFAERN C[C@@H]1Nc2ccc(F)cc2[C@H]1C 71484401 572849994 /nfs/dbraw/zinc/84/99/94/572849994.db2.gz FTPWFFDMJLLGQU-BQBZGAKWSA-N 0 0 165.211 2.743 10 0 AFAERN C[C@@H]1Nc2ccc(F)cc2[C@@H]1C 71484403 572850052 /nfs/dbraw/zinc/85/00/52/572850052.db2.gz FTPWFFDMJLLGQU-RQJHMYQMSA-N 0 0 165.211 2.743 10 0 AFAERN CSc1c(N)c[nH]c1CC(C)(C)C 75484466 572850071 /nfs/dbraw/zinc/85/00/71/572850071.db2.gz RQPBXQZNAGTIOP-UHFFFAOYSA-N 0 0 198.335 2.907 10 0 AFAERN CCCCC[C@@H](C)N1CC(F)C1 307959983 572850086 /nfs/dbraw/zinc/85/00/86/572850086.db2.gz VMRVIFNAYCXEHL-SECBINFHSA-N 0 0 173.275 2.609 10 0 AFAERN Cc1sccc1[C@@H]1CC[C@H](O)[C@H]1C 299897316 572850109 /nfs/dbraw/zinc/85/01/09/572850109.db2.gz JZVARYINHPMJCW-NMLBEHRDSA-N 0 0 196.315 2.931 10 0 AFAERN CCCC[C@@H](C)OC(=O)C(C)C 118657877 572850223 /nfs/dbraw/zinc/85/02/23/572850223.db2.gz QLUIRWJNPGJBRM-SECBINFHSA-N 0 0 172.268 2.764 10 0 AFAERN CCCCC[C@H](C)N1CC(F)C1 307959985 572850224 /nfs/dbraw/zinc/85/02/24/572850224.db2.gz VMRVIFNAYCXEHL-VIFPVBQESA-N 0 0 173.275 2.609 10 0 AFAERN CCC(=O)c1occc1SC 75481781 572850231 /nfs/dbraw/zinc/85/02/31/572850231.db2.gz SMWJNKJUMWPVAJ-UHFFFAOYSA-N 0 0 170.233 2.594 10 0 AFAERN CCCC[C@@H](NN)C1(CCC)CC1 308144546 572850263 /nfs/dbraw/zinc/85/02/63/572850263.db2.gz NDUOPGVVLGTBAG-SNVBAGLBSA-N 0 0 184.327 2.589 10 0 AFAERN CSc1c(C=O)coc1CC1CC1 75482434 572850265 /nfs/dbraw/zinc/85/02/65/572850265.db2.gz WUEZEXYWGYHLEP-UHFFFAOYSA-N 0 0 196.271 2.767 10 0 AFAERN Cc1ccc2c(C)c(C=O)[nH]c2c1C 77588304 572850333 /nfs/dbraw/zinc/85/03/33/572850333.db2.gz POPFMDZVZPMTFO-UHFFFAOYSA-N 0 0 187.242 2.906 10 0 AFAERN COc1ccc2c(c1)N[C@H](C)[C@H]2C 71484452 572850357 /nfs/dbraw/zinc/85/03/57/572850357.db2.gz ZNACWNQDVDVHDP-HTQZYQBOSA-N 0 0 177.247 2.613 10 0 AFAERN CCc1c(C=O)oc2cccc(F)c12 75427042 572850412 /nfs/dbraw/zinc/85/04/12/572850412.db2.gz VKBRFVHNLLINER-UHFFFAOYSA-N 0 0 192.189 2.947 10 0 AFAERN CCc1scc(N)c1SC 75481301 572850469 /nfs/dbraw/zinc/85/04/69/572850469.db2.gz VYNVFPOOEBVFGY-UHFFFAOYSA-N 0 0 173.306 2.615 10 0 AFAERN CC(C)C[C@@H](C)C(=O)OCC1CC1 308144601 572850478 /nfs/dbraw/zinc/85/04/78/572850478.db2.gz KXFWWTPRGUEFMW-SECBINFHSA-N 0 0 184.279 2.622 10 0 AFAERN CCc1c(C=O)sc2ncccc12 75426739 572850500 /nfs/dbraw/zinc/85/05/00/572850500.db2.gz RHHIEJIJCGVRSG-UHFFFAOYSA-N 0 0 191.255 2.671 10 0 AFAERN CSc1ccn(C)c1C(=O)C(C)C 75485394 572850547 /nfs/dbraw/zinc/85/05/47/572850547.db2.gz FVETWSKACGNHEP-UHFFFAOYSA-N 0 0 197.303 2.586 10 0 AFAERN CC(C)C[C@H](C)C(=O)OCC1CC1 308144605 572850554 /nfs/dbraw/zinc/85/05/54/572850554.db2.gz KXFWWTPRGUEFMW-VIFPVBQESA-N 0 0 184.279 2.622 10 0 AFAERN Cc1c(C=O)oc2c(F)cccc12 75426995 572850568 /nfs/dbraw/zinc/85/05/68/572850568.db2.gz WXJJVMCCWACDSK-UHFFFAOYSA-N 0 0 178.162 2.693 10 0 AFAERN CC(C)[C@H](O)CCC1(C)CCC1 307959682 572850582 /nfs/dbraw/zinc/85/05/82/572850582.db2.gz JMPWQHLLECWWLZ-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN CCCc1noc([C@@H](F)C(C)C)n1 308145402 572850671 /nfs/dbraw/zinc/85/06/71/572850671.db2.gz ABBRYEUYKAUZKJ-QMMMGPOBSA-N 0 0 186.230 2.689 10 0 AFAERN CCCc1noc([C@H](F)C(C)C)n1 308145401 572850725 /nfs/dbraw/zinc/85/07/25/572850725.db2.gz ABBRYEUYKAUZKJ-MRVPVSSYSA-N 0 0 186.230 2.689 10 0 AFAERN CC(=O)c1[nH]c2c(F)cccc2c1C 77588241 572850729 /nfs/dbraw/zinc/85/07/29/572850729.db2.gz VJSHLEVZGDUJQF-UHFFFAOYSA-N 0 0 191.205 2.818 10 0 AFAERN Cc1cc(C)c2[nH]c(C=O)c(C)c2c1 77588317 572850901 /nfs/dbraw/zinc/85/09/01/572850901.db2.gz KOZNIULOKNYIQY-UHFFFAOYSA-N 0 0 187.242 2.906 10 0 AFAERN CCc1nc(C=O)cc2c(C)cccc12 77256713 572850947 /nfs/dbraw/zinc/85/09/47/572850947.db2.gz CUEZCNQVBYRWTP-UHFFFAOYSA-N 0 0 199.253 2.918 10 0 AFAERN Cc1ccc(C)c2c(C)c(C=O)[nH]c12 77588318 572850978 /nfs/dbraw/zinc/85/09/78/572850978.db2.gz JBSLUUJFEUWFJJ-UHFFFAOYSA-N 0 0 187.242 2.906 10 0 AFAERN O=Cc1ccc2c3c([nH]c2c1)CCCC3 238588261 572850992 /nfs/dbraw/zinc/85/09/92/572850992.db2.gz NTTZTNBAPQUEDG-UHFFFAOYSA-N 0 0 199.253 2.859 10 0 AFAERN CC(C)[C@@H](O)CCC1(C)CCC1 307959680 572851094 /nfs/dbraw/zinc/85/10/94/572851094.db2.gz JMPWQHLLECWWLZ-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)/C=C\C(=O)OC1CCCC1 308145363 572851215 /nfs/dbraw/zinc/85/12/15/572851215.db2.gz LMGVKKMLZYVHQQ-FPLPWBNLSA-N 0 0 182.263 2.684 10 0 AFAERN CC(=O)c1[nH]c2ccc(F)cc2c1C 77588244 572851413 /nfs/dbraw/zinc/85/14/13/572851413.db2.gz GXUPDKJMBBYMQN-UHFFFAOYSA-N 0 0 191.205 2.818 10 0 AFAERN CC[C@@H](C(C)C)N(C)CC(F)F 307961243 572851581 /nfs/dbraw/zinc/85/15/81/572851581.db2.gz XCBBCAIPKPRLPY-QMMMGPOBSA-N 0 0 179.254 2.618 10 0 AFAERN C[C@@H](C(=O)OC1(C)CCC1)C1CC1 308146380 572851822 /nfs/dbraw/zinc/85/18/22/572851822.db2.gz LVYGLMVLYGVRSL-MRVPVSSYSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)CCSCCC1(O)CC1 307963698 572851849 /nfs/dbraw/zinc/85/18/49/572851849.db2.gz OZASHVGEAIFMLS-UHFFFAOYSA-N 0 0 188.336 2.681 10 0 AFAERN CCc1ccc2cc(C=O)nc(C)c2c1 77258728 572852040 /nfs/dbraw/zinc/85/20/40/572852040.db2.gz GPPCWAIKMJZHOU-UHFFFAOYSA-N 0 0 199.253 2.918 10 0 AFAERN CC(C)(C)SCCOCC1CC1 307961177 572852088 /nfs/dbraw/zinc/85/20/88/572852088.db2.gz LGVKITJCPZJBJB-UHFFFAOYSA-N 0 0 188.336 2.945 10 0 AFAERN C[C@@H](F)CCS[C@@H]1CCCOC1 307960986 572852169 /nfs/dbraw/zinc/85/21/69/572852169.db2.gz WXQOYGFUJUXBGP-RKDXNWHRSA-N 0 0 192.299 2.647 10 0 AFAERN CCc1nc(C=O)cc2ccc(C)cc12 77258513 572852369 /nfs/dbraw/zinc/85/23/69/572852369.db2.gz ZCMXRXPYVMTZTK-UHFFFAOYSA-N 0 0 199.253 2.918 10 0 AFAERN CC[C@H](C(C)C)N(C)CC(F)F 307961241 572852450 /nfs/dbraw/zinc/85/24/50/572852450.db2.gz XCBBCAIPKPRLPY-MRVPVSSYSA-N 0 0 179.254 2.618 10 0 AFAERN CC(C)C[C@H](O)CC1(C)CCC1 307961158 572852626 /nfs/dbraw/zinc/85/26/26/572852626.db2.gz LFDLTZPFZFMNNS-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN O=Cc1c[nH]c(NC2CCCCC2)c1 75492306 572852657 /nfs/dbraw/zinc/85/26/57/572852657.db2.gz AKPGVAMIYOMLDX-UHFFFAOYSA-N 0 0 192.262 2.572 10 0 AFAERN CC(C)CCC(=O)OC1CCC1 307960911 572852887 /nfs/dbraw/zinc/85/28/87/572852887.db2.gz KZFGVNRVSQUSSX-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN C[C@H](F)CCS[C@H]1CCCOC1 307960985 572852909 /nfs/dbraw/zinc/85/29/09/572852909.db2.gz WXQOYGFUJUXBGP-IUCAKERBSA-N 0 0 192.299 2.647 10 0 AFAERN C[C@H](F)CCS[C@@H]1CCCOC1 307960983 572852928 /nfs/dbraw/zinc/85/29/28/572852928.db2.gz WXQOYGFUJUXBGP-DTWKUNHWSA-N 0 0 192.299 2.647 10 0 AFAERN Nc1csc2snc(C3CC3)c12 75519872 572852942 /nfs/dbraw/zinc/85/29/42/572852942.db2.gz XJPWXJRBGJMGCT-UHFFFAOYSA-N 0 0 196.300 2.817 10 0 AFAERN Cc1ncsc1-c1csc(N)c1 257584206 572853427 /nfs/dbraw/zinc/85/34/27/572853427.db2.gz CXHLNZSTCKOXCV-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN Cc1nc(C)c(-c2csc(N)c2)o1 257584140 572853257 /nfs/dbraw/zinc/85/32/57/572853257.db2.gz BJZPMAIEFINENP-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN Cc1nc(-c2csc(N)c2)oc1C 257584130 572853418 /nfs/dbraw/zinc/85/34/18/572853418.db2.gz BFDPOWJKKIWFOB-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN C[C@@H](F)CCS[C@H]1CCCOC1 307960982 572853538 /nfs/dbraw/zinc/85/35/38/572853538.db2.gz WXQOYGFUJUXBGP-BDAKNGLRSA-N 0 0 192.299 2.647 10 0 AFAERN Nc1cc2c(s1)OCC21CCCC1 257584115 572853693 /nfs/dbraw/zinc/85/36/93/572853693.db2.gz AMWDDICSMBMVLZ-UHFFFAOYSA-N 0 0 195.287 2.535 10 0 AFAERN CC(C)=CCCC(C)C=CC(=O)C=O 118636195 572853712 /nfs/dbraw/zinc/85/37/12/572853712.db2.gz FRVQPERGFICHOT-YRNVUSSQSA-N 0 0 194.274 2.837 10 0 AFAERN CC(C)C[C@@H](O)CC1(C)CCC1 307961160 572853765 /nfs/dbraw/zinc/85/37/65/572853765.db2.gz LFDLTZPFZFMNNS-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cnc(-c2csc(N)c2)s1 257584126 572853941 /nfs/dbraw/zinc/85/39/41/572853941.db2.gz AYFIDDYSVTZECU-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN C[C@H](C(=O)OC1(C)CCC1)C1CC1 308146383 572853989 /nfs/dbraw/zinc/85/39/89/572853989.db2.gz LVYGLMVLYGVRSL-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN Cc1csc(-c2cc(N)oc2C)n1 257584103 572854025 /nfs/dbraw/zinc/85/40/25/572854025.db2.gz AADSNXGCZZCYRQ-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCSCCCOc1ccccn1 308145881 572854150 /nfs/dbraw/zinc/85/41/50/572854150.db2.gz AFIZVYVISVCGIN-UHFFFAOYSA-N 0 0 197.303 2.604 10 0 AFAERN CSc1ccc(CC(C)C)[nH]1 75469399 572854359 /nfs/dbraw/zinc/85/43/59/572854359.db2.gz FRLNVJNEVILEGB-UHFFFAOYSA-N 0 0 169.293 2.935 10 0 AFAERN Cc1cc2scc(N)c2s1 75465406 572854487 /nfs/dbraw/zinc/85/44/87/572854487.db2.gz FMWDMZIXWSLDDS-UHFFFAOYSA-N 0 0 169.274 2.853 10 0 AFAERN CC(C)CC(=O)c1cc(N)cs1 75468170 572854410 /nfs/dbraw/zinc/85/44/10/572854410.db2.gz QNKPJPALPFPLIS-UHFFFAOYSA-N 0 0 183.276 2.559 10 0 AFAERN CCc1c(C=O)oc2cc(F)ccc12 75454914 572854678 /nfs/dbraw/zinc/85/46/78/572854678.db2.gz JMQVUJLKKCZWTN-UHFFFAOYSA-N 0 0 192.189 2.947 10 0 AFAERN Cc1ncc(-c2cc(N)oc2C)s1 257584142 572854689 /nfs/dbraw/zinc/85/46/89/572854689.db2.gz BKIQFMZBMQCBLE-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCOC(=O)N(C)CCCC(C)C 308145810 572854752 /nfs/dbraw/zinc/85/47/52/572854752.db2.gz ABXLWZPIRPCNHY-UHFFFAOYSA-N 0 0 187.283 2.511 10 0 AFAERN CCc1ncc(C(C)=O)n1[C@@H](C)CC 75516725 572855229 /nfs/dbraw/zinc/85/52/29/572855229.db2.gz RWUFIEJSCOQDCT-QMMMGPOBSA-N 0 0 194.278 2.619 10 0 AFAERN CCC[C@H](C)C[C@H](O)C(C)(C)OC 86072495 572864504 /nfs/dbraw/zinc/86/45/04/572864504.db2.gz VDUSCKKCIXEUFP-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN CCC(C)(C)OC(=O)C=C(C)C 307961867 572854976 /nfs/dbraw/zinc/85/49/76/572854976.db2.gz XTABBCCHKUIHQE-UHFFFAOYSA-N 0 0 170.252 2.684 10 0 AFAERN CSc1[nH]c(CCC(C)C)cc1N 75479112 572855041 /nfs/dbraw/zinc/85/50/41/572855041.db2.gz QOMFZEDORBFGDW-UHFFFAOYSA-N 0 0 198.335 2.907 10 0 AFAERN CC(C)(C)Cc1cc(C=O)co1 75480209 572855078 /nfs/dbraw/zinc/85/50/78/572855078.db2.gz SNCSKRPPEGLXGB-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN Nc1ccoc1-c1cc(Cl)co1 257584321 572856271 /nfs/dbraw/zinc/85/62/71/572856271.db2.gz XOIQAQOBTGAZFW-UHFFFAOYSA-N 0 0 183.594 2.775 10 0 AFAERN CSc1ccc(C(=O)C(C)C)o1 75479373 572855213 /nfs/dbraw/zinc/85/52/13/572855213.db2.gz XISRORIQZBSSFD-UHFFFAOYSA-N 0 0 184.260 2.840 10 0 AFAERN O=Cc1ccc(-c2ccc(Cl)o2)[nH]1 75454810 572855298 /nfs/dbraw/zinc/85/52/98/572855298.db2.gz OFEASQLGYNYTKK-UHFFFAOYSA-N 0 0 195.605 2.741 10 0 AFAERN O=Cc1coc(Cc2cccs2)c1 75480287 572855319 /nfs/dbraw/zinc/85/53/19/572855319.db2.gz FRDQGHSVONDOGH-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN Nc1csc(CCc2ccco2)c1 75468438 572855330 /nfs/dbraw/zinc/85/53/30/572855330.db2.gz OAKSANONDCCHQI-UHFFFAOYSA-N 0 0 193.271 2.709 10 0 AFAERN CC/C=C\CCn1ccc(Cl)n1 307961649 572856308 /nfs/dbraw/zinc/85/63/08/572856308.db2.gz XLDJMZVBWSDBBU-ARJAWSKDSA-N 0 0 184.670 2.893 10 0 AFAERN CSc1ccc(C(=O)C2CC2)o1 75479380 572855443 /nfs/dbraw/zinc/85/54/43/572855443.db2.gz UAIVRKHKRBFABR-UHFFFAOYSA-N 0 0 182.244 2.594 10 0 AFAERN C[C@H](C[C@@H]1C[C@@H]1CO)c1ccccc1 212381045 572855449 /nfs/dbraw/zinc/85/54/49/572855449.db2.gz GZOHOXZTHKWAJA-RAIGVLPGSA-N 0 0 190.286 2.809 10 0 AFAERN C/C=C/CSc1nccn1CC 308146788 572855467 /nfs/dbraw/zinc/85/54/67/572855467.db2.gz KPOODZMFSLQIRC-HWKANZROSA-N 0 0 182.292 2.571 10 0 AFAERN O=Cc1csc(CC2CC2)c1 75468687 572855512 /nfs/dbraw/zinc/85/55/12/572855512.db2.gz BTDAADYEFBPDCM-UHFFFAOYSA-N 0 0 166.245 2.513 10 0 AFAERN C[C@@H]1CCCCCN1c1ccc(N)o1 257584252 572855513 /nfs/dbraw/zinc/85/55/13/572855513.db2.gz DXUQFZQSKGFQAX-SECBINFHSA-N 0 0 194.278 2.631 10 0 AFAERN CC(=O)c1ccc(-c2cnco2)s1 75455194 572855893 /nfs/dbraw/zinc/85/58/93/572855893.db2.gz IAQLOZBTGYQCCB-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CC(C)CCc1cc(C=O)co1 75480221 572855815 /nfs/dbraw/zinc/85/58/15/572855815.db2.gz NKQFQWYKIDBNBI-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN CC/C=C/CCn1ccc(Cl)n1 307961650 572855783 /nfs/dbraw/zinc/85/57/83/572855783.db2.gz XLDJMZVBWSDBBU-ONEGZZNKSA-N 0 0 184.670 2.893 10 0 AFAERN O=Cc1csc(Cc2ccco2)c1 75468730 572855801 /nfs/dbraw/zinc/85/58/01/572855801.db2.gz NZTAZSWAKWHBKA-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN CCCCCOC1CCC(=O)CC1 39641548 572855834 /nfs/dbraw/zinc/85/58/34/572855834.db2.gz LORYXCDHVNDISE-UHFFFAOYSA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)Cc1cc(C=O)cs1 75468678 572855932 /nfs/dbraw/zinc/85/59/32/572855932.db2.gz ZRUPRZQVWRGMDR-UHFFFAOYSA-N 0 0 168.261 2.759 10 0 AFAERN CC/C(C)=C\CCC[C@H](C)O 199198220 572855985 /nfs/dbraw/zinc/85/59/85/572855985.db2.gz LPCJGNFSZODLGV-RNKPRXRFSA-N 0 0 156.269 2.894 10 0 AFAERN CSc1ccc(C(=O)C(C)C)[nH]1 75460404 572856086 /nfs/dbraw/zinc/85/60/86/572856086.db2.gz YVITUTSPRIZEBW-UHFFFAOYSA-N 0 0 183.276 2.575 10 0 AFAERN C/C=C\CSc1nccn1CC 308146794 572856143 /nfs/dbraw/zinc/85/61/43/572856143.db2.gz KPOODZMFSLQIRC-HYXAFXHYSA-N 0 0 182.292 2.571 10 0 AFAERN CCc1ncc(C(C)=O)n1[C@H](C)CC 75516729 572856148 /nfs/dbraw/zinc/85/61/48/572856148.db2.gz RWUFIEJSCOQDCT-MRVPVSSYSA-N 0 0 194.278 2.619 10 0 AFAERN CC(=O)c1ccc(-c2ncco2)s1 75455183 572856210 /nfs/dbraw/zinc/85/62/10/572856210.db2.gz BNHKZUBLTAARIA-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN Nc1cc2c(s1)-c1ccoc1CC2 257584253 572856257 /nfs/dbraw/zinc/85/62/57/572856257.db2.gz VRHPWTOOPLWZDS-UHFFFAOYSA-N 0 0 191.255 2.689 10 0 AFAERN Nc1coc(C(=O)C2CCCCC2)c1 75479621 572856337 /nfs/dbraw/zinc/85/63/37/572856337.db2.gz NWKJTRULXZYILW-UHFFFAOYSA-N 0 0 193.246 2.625 10 0 AFAERN Nc1csc(Cc2cccs2)c1 75468405 572856352 /nfs/dbraw/zinc/85/63/52/572856352.db2.gz MCVDLYJXGLJRPC-UHFFFAOYSA-N 0 0 195.312 2.983 10 0 AFAERN CCCc1cc(C=O)cs1 75468674 572856418 /nfs/dbraw/zinc/85/64/18/572856418.db2.gz BQANPNVSSLGWBR-UHFFFAOYSA-N 0 0 154.234 2.513 10 0 AFAERN CSc1ccc(CC2CC2)n1C 75469273 572856445 /nfs/dbraw/zinc/85/64/45/572856445.db2.gz WOBJPRKEOXWSEN-UHFFFAOYSA-N 0 0 181.304 2.700 10 0 AFAERN CSc1ccc(CC2CC2)[nH]1 75469410 572856405 /nfs/dbraw/zinc/85/64/05/572856405.db2.gz CNFCQZJHCVPFRE-UHFFFAOYSA-N 0 0 167.277 2.689 10 0 AFAERN CCCc1ccc(SC)n1C 75469256 572856523 /nfs/dbraw/zinc/85/65/23/572856523.db2.gz UOMMBOWHULCHSX-UHFFFAOYSA-N 0 0 169.293 2.700 10 0 AFAERN CC(C)(C)C(=O)c1cc(N)cs1 75468157 572856957 /nfs/dbraw/zinc/85/69/57/572856957.db2.gz UFPDCZYYDVRNBF-UHFFFAOYSA-N 0 0 183.276 2.559 10 0 AFAERN CCCC/C=C\C/C=C\CO 199209816 572856661 /nfs/dbraw/zinc/85/66/61/572856661.db2.gz LPONWYRUAQJVOG-AFJQJTPPSA-N 0 0 154.253 2.671 10 0 AFAERN CC(=O)c1cncn1C1CCCCC1 75516531 572856701 /nfs/dbraw/zinc/85/67/01/572856701.db2.gz WGHORWWJXHDTFX-UHFFFAOYSA-N 0 0 192.262 2.591 10 0 AFAERN CCC(C)(C)CC(=O)OC1CC1 307962199 572856723 /nfs/dbraw/zinc/85/67/23/572856723.db2.gz YAPGBDFOUUCMLU-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN CCCC1([C@H](O)c2ccco2)CC1 308146515 572856726 /nfs/dbraw/zinc/85/67/26/572856726.db2.gz OJWCUYLEFCTFSK-SNVBAGLBSA-N 0 0 180.247 2.893 10 0 AFAERN CC/C(C)=C\CCC[C@@H](C)O 199198206 572856752 /nfs/dbraw/zinc/85/67/52/572856752.db2.gz LPCJGNFSZODLGV-UJICNMFASA-N 0 0 156.269 2.894 10 0 AFAERN O=Cc1coc(CC2CCCC2)c1 75480230 572856791 /nfs/dbraw/zinc/85/67/91/572856791.db2.gz CGQMTQNOQPFXJA-UHFFFAOYSA-N 0 0 178.231 2.825 10 0 AFAERN CCc1c(C=O)oc2ccc(F)cc12 75454942 572856808 /nfs/dbraw/zinc/85/68/08/572856808.db2.gz KTYZENMJGFBBBE-UHFFFAOYSA-N 0 0 192.189 2.947 10 0 AFAERN CCCn1c(C(C)=O)cnc1C(C)C 75516142 572856815 /nfs/dbraw/zinc/85/68/15/572856815.db2.gz LMJHREUJECEOBB-UHFFFAOYSA-N 0 0 194.278 2.619 10 0 AFAERN Nc1csc(Cc2ccco2)c1 75468399 572856830 /nfs/dbraw/zinc/85/68/30/572856830.db2.gz LIYZOVIAIKZVHB-UHFFFAOYSA-N 0 0 179.244 2.514 10 0 AFAERN CSc1[nH]c(CC(C)C)cc1N 75479109 572856842 /nfs/dbraw/zinc/85/68/42/572856842.db2.gz VXHQKGYQSFMYIL-UHFFFAOYSA-N 0 0 184.308 2.517 10 0 AFAERN CCCc1ccc(SC)[nH]1 75469397 572856865 /nfs/dbraw/zinc/85/68/65/572856865.db2.gz RJDITMJAZYXPEG-UHFFFAOYSA-N 0 0 155.266 2.689 10 0 AFAERN O=Cc1c(Cl)sc2ccoc12 75454658 572856910 /nfs/dbraw/zinc/85/69/10/572856910.db2.gz TYHKCHNRINADDW-UHFFFAOYSA-N 0 0 186.619 2.960 10 0 AFAERN CSc1ccc(CC(F)(F)F)[nH]1 75469392 572856941 /nfs/dbraw/zinc/85/69/41/572856941.db2.gz GWTBPVIWXOXBIJ-UHFFFAOYSA-N 0 0 195.209 2.841 10 0 AFAERN CSc1ccc(Cc2ccco2)[nH]1 75469469 572857170 /nfs/dbraw/zinc/85/71/70/572857170.db2.gz BAYITKJQFARDAC-UHFFFAOYSA-N 0 0 193.271 2.920 10 0 AFAERN Cc1ccccc1Cc1cc(C=O)c[nH]1 75454419 572857174 /nfs/dbraw/zinc/85/71/74/572857174.db2.gz FMTWVAQNNCXRMM-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN Cc1sc(N)cc1-c1ccncc1 257584306 572857209 /nfs/dbraw/zinc/85/72/09/572857209.db2.gz XJECZNDEBOPDKC-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccccc1-c1ccc(N)n1C 257584302 572857244 /nfs/dbraw/zinc/85/72/44/572857244.db2.gz XDHYUUCTRKBCLH-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN CSc1c(N)cc(CC(C)C)n1C 75479189 572857252 /nfs/dbraw/zinc/85/72/52/572857252.db2.gz GLXADCNAQDGHFD-UHFFFAOYSA-N 0 0 198.335 2.528 10 0 AFAERN Nc1c[nH]c(CC2CCCCC2)c1 75454006 572857254 /nfs/dbraw/zinc/85/72/54/572857254.db2.gz HBRHKXPHACLUMJ-UHFFFAOYSA-N 0 0 178.279 2.720 10 0 AFAERN Cc1cc2occc2c(C)c1N 75456401 572857322 /nfs/dbraw/zinc/85/73/22/572857322.db2.gz KMEBZHGEIZNRMY-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN CCC[C@@H](CC)OC(=O)C1CC1 307963088 572857473 /nfs/dbraw/zinc/85/74/73/572857473.db2.gz YTSSIBOEYQVPAS-SECBINFHSA-N 0 0 170.252 2.518 10 0 AFAERN C[C@H]1CCCCCN1c1ccc(N)o1 257584256 572857499 /nfs/dbraw/zinc/85/74/99/572857499.db2.gz DXUQFZQSKGFQAX-VIFPVBQESA-N 0 0 194.278 2.631 10 0 AFAERN Cc1cc(-c2ccc(F)cc2)oc1N 257584290 572857525 /nfs/dbraw/zinc/85/75/25/572857525.db2.gz WVPWZAUBVYARMN-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN Cc1cccc2nc(C(C)(C)C)cn12 71570781 572859674 /nfs/dbraw/zinc/85/96/74/572859674.db2.gz PFGZMHDSSNUWTE-UHFFFAOYSA-N 0 0 188.274 2.940 10 0 AFAERN Cc1oc(N)c(C)c1-c1cccnc1 257584269 572857777 /nfs/dbraw/zinc/85/77/77/572857777.db2.gz WBNMVHCADAISBH-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCSCn1ccnc1C(C)C 308147479 572858003 /nfs/dbraw/zinc/85/80/03/572858003.db2.gz LAJJJXAYYDRUJF-UHFFFAOYSA-N 0 0 184.308 2.717 10 0 AFAERN Oc1ccccc1C1CC=CC1 75544604 572858206 /nfs/dbraw/zinc/85/82/06/572858206.db2.gz YVHQZQPNVJINRZ-UHFFFAOYSA-N 0 0 160.216 2.826 10 0 AFAERN CCC[C@H](CC)OC(=O)C1CC1 307963089 572858464 /nfs/dbraw/zinc/85/84/64/572858464.db2.gz YTSSIBOEYQVPAS-VIFPVBQESA-N 0 0 170.252 2.518 10 0 AFAERN CC(C)CCSCc1cnoc1 307962736 572858559 /nfs/dbraw/zinc/85/85/59/572858559.db2.gz NMLQHWFANFCCOD-UHFFFAOYSA-N 0 0 185.292 2.954 10 0 AFAERN CCc1sc(N)cc1N(CC)CC 75548929 572862669 /nfs/dbraw/zinc/86/26/69/572862669.db2.gz SWRIKHVHZLGMFQ-UHFFFAOYSA-N 0 0 198.335 2.739 10 0 AFAERN CC(C)c1ccnc2occ(N)c12 75585143 572858890 /nfs/dbraw/zinc/85/88/90/572858890.db2.gz XJXMLEKMDOXFDW-UHFFFAOYSA-N 0 0 176.219 2.533 10 0 AFAERN C/C=C\[C@H](O)[C@H](C)/C=C\[Si](C)(C)C 308153947 572858998 /nfs/dbraw/zinc/85/89/98/572858998.db2.gz LBIGWNRCOVYGTC-ISPUSNBVSA-N 0 0 198.382 2.993 10 0 AFAERN Cc1ncsc1-c1ccc(N)s1 257585080 572859300 /nfs/dbraw/zinc/85/93/00/572859300.db2.gz JAOGZCPNJGOEQK-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN Cc1csc(N)c1C(C)C 257592494 572862965 /nfs/dbraw/zinc/86/29/65/572862965.db2.gz JPHYCWGWEJPBBQ-UHFFFAOYSA-N 0 0 155.266 2.762 10 0 AFAERN Cc1nc(C)c(-c2occc2N)s1 257584936 572859467 /nfs/dbraw/zinc/85/94/67/572859467.db2.gz GFUZXCQGQHYUJG-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CO/C=C1\CCc2ccccc21 307963065 572859671 /nfs/dbraw/zinc/85/96/71/572859671.db2.gz YSFNRAJQXGJPPK-CSKARUKUSA-N 0 0 160.216 2.620 10 0 AFAERN CC[C@H](C)c1cc(N)oc1C 257592542 572864443 /nfs/dbraw/zinc/86/44/43/572864443.db2.gz ZLCGYZXYQNQULQ-LURJTMIESA-N 0 0 153.225 2.684 10 0 AFAERN Cc1ncc(-c2cc(N)sc2C)o1 257586150 572864447 /nfs/dbraw/zinc/86/44/47/572864447.db2.gz RSURJHHSXRWWQL-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN O=Cc1nc2ccc3ccccc3c2o1 238589089 572859875 /nfs/dbraw/zinc/85/98/75/572859875.db2.gz GJGBAICEUHHRTH-UHFFFAOYSA-N 0 0 197.193 2.794 10 0 AFAERN Cc1cc(C(C)C)c2c(N)c[nH]c2n1 75585267 572859877 /nfs/dbraw/zinc/85/98/77/572859877.db2.gz VIHRVDFMYOAOAS-UHFFFAOYSA-N 0 0 189.262 2.577 10 0 AFAERN Cc1cc(-c2cc(N)sc2C)no1 257585020 572859967 /nfs/dbraw/zinc/85/99/67/572859967.db2.gz IGRSRGGAEUIHFE-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CC/C=C\c1nc(C(C)C)no1 307963102 572860232 /nfs/dbraw/zinc/86/02/32/572860232.db2.gz YVGRIMQCFPEVLJ-WAYWQWQTSA-N 0 0 166.224 2.616 10 0 AFAERN CC(C)(C)c1ccnc2occ(N)c12 75585145 572860260 /nfs/dbraw/zinc/86/02/60/572860260.db2.gz OHJVCMZDOZVZKF-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN Cc1cnc(-c2cc(N)oc2C)s1 257584965 572860372 /nfs/dbraw/zinc/86/03/72/572860372.db2.gz HDHVJODVXFHMMI-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN Cc1cccc2nc(C(C)C)cn12 71570794 572860402 /nfs/dbraw/zinc/86/04/02/572860402.db2.gz BALUQLQZGURMFC-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN Cc1nc(-c2occc2N)c(C)s1 257586154 572864411 /nfs/dbraw/zinc/86/44/11/572864411.db2.gz RWJDMWWEEVIDRL-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN OCCC1=CCC=CCCC=CC1 308153960 572860460 /nfs/dbraw/zinc/86/04/60/572860460.db2.gz LCGIWVOYEZHZQO-UHFFFAOYSA-N 0 0 178.275 2.982 10 0 AFAERN C/C=C\COc1ccc(C)c(N)c1 308154012 572860577 /nfs/dbraw/zinc/86/05/77/572860577.db2.gz MXDZKRFWESGFSD-ARJAWSKDSA-N 0 0 177.247 2.532 10 0 AFAERN Oc1ccccc1OCCCCF 308148204 572860735 /nfs/dbraw/zinc/86/07/35/572860735.db2.gz PGNPOQGIKIEQMA-UHFFFAOYSA-N 0 0 184.210 2.521 10 0 AFAERN Cc1nc(-c2ccc(N)s2)cs1 257585536 572860765 /nfs/dbraw/zinc/86/07/65/572860765.db2.gz NEOQNHFGNCMIQK-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CC(C)Cc1sc(N)cc1N(C)C 75548958 572860868 /nfs/dbraw/zinc/86/08/68/572860868.db2.gz MUMBYHRNZJMWSD-UHFFFAOYSA-N 0 0 198.335 2.595 10 0 AFAERN C/C=C/[C@H](O)[C@H](C)/C=C\[Si](C)(C)C 308153946 572860911 /nfs/dbraw/zinc/86/09/11/572860911.db2.gz LBIGWNRCOVYGTC-BVOBFHKWSA-N 0 0 198.382 2.993 10 0 AFAERN C/C=C\C=C=C1[C@H]([C@H](C)O)C1(C)C 308148071 572860959 /nfs/dbraw/zinc/86/09/59/572860959.db2.gz CZMPGQGJFNDSQW-XJAYSXHASA-N 0 0 178.275 2.681 10 0 AFAERN CCc1sc(N)cc1C(F)(F)F 257585130 572861021 /nfs/dbraw/zinc/86/10/21/572861021.db2.gz KMOWZZASYYXXII-UHFFFAOYSA-N 0 0 195.209 2.912 10 0 AFAERN Nc1ccc(C2CCSCC2)s1 257584989 572861249 /nfs/dbraw/zinc/86/12/49/572861249.db2.gz HLDBALPGSPVIKD-UHFFFAOYSA-N 0 0 199.344 2.941 10 0 AFAERN C/C=C\[C@H](O)[C@H](C)/C=C/[Si](C)(C)C 308153948 572861317 /nfs/dbraw/zinc/86/13/17/572861317.db2.gz LBIGWNRCOVYGTC-SELASKGSSA-N 0 0 198.382 2.993 10 0 AFAERN C/C=C\C=C=C1[C@H]([C@@H](C)O)C1(C)C 308148070 572861351 /nfs/dbraw/zinc/86/13/51/572861351.db2.gz CZMPGQGJFNDSQW-MAGQZGIESA-N 0 0 178.275 2.681 10 0 AFAERN CC/C(CO)=C(\C)c1ccccc1 308154473 572865702 /nfs/dbraw/zinc/86/57/02/572865702.db2.gz LKSCUNKXUGXJOU-KHPPLWFESA-N 0 0 176.259 2.862 10 0 AFAERN CNc1nccc2c(C)ccc(F)c12 234616764 572861466 /nfs/dbraw/zinc/86/14/66/572861466.db2.gz OYQFUSXCLBYQSO-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CCC[C@@H](C)C[C@H](O)C(C)(C)OC 86072492 572864486 /nfs/dbraw/zinc/86/44/86/572864486.db2.gz VDUSCKKCIXEUFP-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN CCSCc1ncoc1C1CC1 308147969 572861650 /nfs/dbraw/zinc/86/16/50/572861650.db2.gz LGXKSNFOULXAIY-UHFFFAOYSA-N 0 0 183.276 2.805 10 0 AFAERN Cc1sc(N)cc1N1CCCCC1 75548908 572861714 /nfs/dbraw/zinc/86/17/14/572861714.db2.gz NNEAREZECTZQNZ-UHFFFAOYSA-N 0 0 196.319 2.629 10 0 AFAERN CC(C)Cc1cc(N)c(N(C)C)s1 75548638 572862010 /nfs/dbraw/zinc/86/20/10/572862010.db2.gz JLMDGHNWPLGPOF-UHFFFAOYSA-N 0 0 198.335 2.595 10 0 AFAERN Cc1sc(N)cc1-c1nccs1 257586205 572862138 /nfs/dbraw/zinc/86/21/38/572862138.db2.gz WPCUAMWKGQNEJW-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN Cc1ncc(-c2csc(N)c2)s1 257586187 572862227 /nfs/dbraw/zinc/86/22/27/572862227.db2.gz ULAXQXKILXFTSD-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CNc1nccc2c(F)ccc(C)c12 234617046 572862381 /nfs/dbraw/zinc/86/23/81/572862381.db2.gz BGCRPUGZGWVMAD-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN Cc1ccc(-c2ccc(N)s2)o1 257589725 572862457 /nfs/dbraw/zinc/86/24/57/572862457.db2.gz RBSPSPXOMNBWEP-UHFFFAOYSA-N 0 0 179.244 2.899 10 0 AFAERN CC[C@@H](C)c1cc(N)oc1C 257592543 572862507 /nfs/dbraw/zinc/86/25/07/572862507.db2.gz ZLCGYZXYQNQULQ-ZCFIWIBFSA-N 0 0 153.225 2.684 10 0 AFAERN Nc1cc[nH]c1C1CCCCC1 257592492 572862538 /nfs/dbraw/zinc/86/25/38/572862538.db2.gz JIYLZDDNAIBKRF-UHFFFAOYSA-N 0 0 164.252 2.645 10 0 AFAERN Nc1ccc([C@@H]2CCCSC2)s1 257586230 572862996 /nfs/dbraw/zinc/86/29/96/572862996.db2.gz XTRGJSIROFHTHN-SSDOTTSWSA-N 0 0 199.344 2.941 10 0 AFAERN Nc1ccc(C2CCCCC2)o1 257592480 572863016 /nfs/dbraw/zinc/86/30/16/572863016.db2.gz CNSJCWSQQJJENW-UHFFFAOYSA-N 0 0 165.236 2.910 10 0 AFAERN C=COCCNc1cccc(Cl)c1 238609997 572863024 /nfs/dbraw/zinc/86/30/24/572863024.db2.gz KAJLKYINNQYFTN-UHFFFAOYSA-N 0 0 197.665 2.912 10 0 AFAERN NC(=O)SC/C=C/c1ccccc1 238610302 572863029 /nfs/dbraw/zinc/86/30/29/572863029.db2.gz YSMRUDVLSJXNBC-QPJJXVBHSA-N 0 0 193.271 2.512 10 0 AFAERN Nc1ccc([C@H]2CCCSC2)s1 257586231 572863241 /nfs/dbraw/zinc/86/32/41/572863241.db2.gz XTRGJSIROFHTHN-ZETCQYMHSA-N 0 0 199.344 2.941 10 0 AFAERN Cc1ncc(-c2ccc(N)s2)s1 257586200 572863330 /nfs/dbraw/zinc/86/33/30/572863330.db2.gz VTHJXJWTZWRXJC-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CCCNc1ccccc1C(C)=O 71619076 572863366 /nfs/dbraw/zinc/86/33/66/572863366.db2.gz YENVQUUQWWNURO-UHFFFAOYSA-N 0 0 177.247 2.711 10 0 AFAERN Cc1ccsc1-c1occc1N 257589580 572863439 /nfs/dbraw/zinc/86/34/39/572863439.db2.gz MPWAEMMZEYRKQG-UHFFFAOYSA-N 0 0 179.244 2.899 10 0 AFAERN Cc1ccc(-c2occc2N)s1 257589772 572863482 /nfs/dbraw/zinc/86/34/82/572863482.db2.gz ZFHOFMBGJZJZSP-UHFFFAOYSA-N 0 0 179.244 2.899 10 0 AFAERN Cc1cnc(-c2cc(N)sc2C)o1 257586393 572863488 /nfs/dbraw/zinc/86/34/88/572863488.db2.gz ZWAIVNBDMFLRRF-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN O=Cc1csc2ccsc12 75556420 572863612 /nfs/dbraw/zinc/86/36/12/572863612.db2.gz FJEKMABXQOUFCM-UHFFFAOYSA-N 0 0 168.242 2.775 10 0 AFAERN Cc1csc(-c2csc(N)c2)n1 257586382 572863617 /nfs/dbraw/zinc/86/36/17/572863617.db2.gz YRQBVHPEYCHLRK-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CCC[C@@H](C)CC(=O)C(C)(C)OC 86071387 572863728 /nfs/dbraw/zinc/86/37/28/572863728.db2.gz UQIDNYRMCQIFIN-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN CCCC(=O)CSC(C)(C)C 50185955 572863779 /nfs/dbraw/zinc/86/37/79/572863779.db2.gz MIDBYPLWLGVRAT-UHFFFAOYSA-N 0 0 174.309 2.887 10 0 AFAERN Cc1oc(N)c(C)c1-c1ccco1 257589557 572863864 /nfs/dbraw/zinc/86/38/64/572863864.db2.gz JZJAPNUOSAEOCP-UHFFFAOYSA-N 0 0 177.203 2.739 10 0 AFAERN CC/C(=C/c1ccco1)[C@@H](O)CC 308154053 572863908 /nfs/dbraw/zinc/86/39/08/572863908.db2.gz NIGZOLYBNDBZEX-IQQGHNRFSA-N 0 0 180.247 2.844 10 0 AFAERN CCCOCc1cccc(Cl)n1 86114889 572863989 /nfs/dbraw/zinc/86/39/89/572863989.db2.gz NGJSLMXEMPFPDQ-UHFFFAOYSA-N 0 0 185.654 2.662 10 0 AFAERN CCCCCCC(=O)C(C)(C)OC 86071374 572864160 /nfs/dbraw/zinc/86/41/60/572864160.db2.gz NSATWUZQVQEWQL-UHFFFAOYSA-N 0 0 186.295 2.951 10 0 AFAERN CC(C)COCc1cccc(Cl)n1 86114790 572864169 /nfs/dbraw/zinc/86/41/69/572864169.db2.gz ZZUQMTIAYBARML-UHFFFAOYSA-N 0 0 199.681 2.908 10 0 AFAERN CCCCCC[C@H](O)C(C)(C)OC 86071877 572864276 /nfs/dbraw/zinc/86/42/76/572864276.db2.gz MFQMHIBTFWTICR-JTQLQIEISA-N 0 0 188.311 2.743 10 0 AFAERN Cc1nc(C)c(-c2ccc(N)s2)o1 257586181 572864390 /nfs/dbraw/zinc/86/43/90/572864390.db2.gz SZTXOZMBTLRGDO-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCC[C@H](C)C[C@@H](O)C(C)(C)OC 86072499 572864571 /nfs/dbraw/zinc/86/45/71/572864571.db2.gz VDUSCKKCIXEUFP-VHSXEESVSA-N 0 0 188.311 2.599 10 0 AFAERN Cc1ccc(C)n1[C@@H]1CCO[C@H](C)C1 235369992 572864594 /nfs/dbraw/zinc/86/45/94/572864594.db2.gz YJCUUIVKPZFRNT-VXGBXAGGSA-N 0 0 193.290 2.845 10 0 AFAERN Cc1cc(N)oc1CC(C)(C)C 257589513 572864666 /nfs/dbraw/zinc/86/46/66/572864666.db2.gz CGGYEBRGQWXCRA-UHFFFAOYSA-N 0 0 167.252 2.759 10 0 AFAERN CCc1oc(N)cc1-c1cncs1 257586176 572864704 /nfs/dbraw/zinc/86/47/04/572864704.db2.gz SXKMBQYYTCASEM-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CCCCCC[C@@H](O)C(C)(C)OC 86071880 572864745 /nfs/dbraw/zinc/86/47/45/572864745.db2.gz MFQMHIBTFWTICR-SNVBAGLBSA-N 0 0 188.311 2.743 10 0 AFAERN CCCCCC(=O)C(C)(C)OC 86071733 572864748 /nfs/dbraw/zinc/86/47/48/572864748.db2.gz UMWGKYYWIHYSKN-UHFFFAOYSA-N 0 0 172.268 2.561 10 0 AFAERN Nc1cc(-c2cccs2)co1 257592502 572864758 /nfs/dbraw/zinc/86/47/58/572864758.db2.gz LUOWXTZGOMXPIM-UHFFFAOYSA-N 0 0 165.217 2.590 10 0 AFAERN Cc1coc(CCC2CC2)c1N 257592497 572864762 /nfs/dbraw/zinc/86/47/62/572864762.db2.gz JYMZNLDGUCVURV-UHFFFAOYSA-N 0 0 165.236 2.513 10 0 AFAERN Cc1sc(N)cc1-c1ccoc1 257589569 572864795 /nfs/dbraw/zinc/86/47/95/572864795.db2.gz LDQXEBNENNKTFJ-UHFFFAOYSA-N 0 0 179.244 2.899 10 0 AFAERN COC(C)(C)[C@@H](O)CCC(C)(C)C 86072089 572864980 /nfs/dbraw/zinc/86/49/80/572864980.db2.gz OTIQNCQFHKXYDI-VIFPVBQESA-N 0 0 188.311 2.599 10 0 AFAERN CCC[C@H](C)CC(=O)C(C)(C)OC 86071390 572865020 /nfs/dbraw/zinc/86/50/20/572865020.db2.gz UQIDNYRMCQIFIN-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN CCC(=O)CSc1cccs1 50181991 572865106 /nfs/dbraw/zinc/86/51/06/572865106.db2.gz IBHMDGMSNQPCNQ-UHFFFAOYSA-N 0 0 186.301 2.819 10 0 AFAERN COC(C)(C)C(=O)CCC(C)(C)C 86071539 572865139 /nfs/dbraw/zinc/86/51/39/572865139.db2.gz APOXMRJCVZGYHE-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN CCC(=O)Cn1ccc2ccccc21 50180791 572865172 /nfs/dbraw/zinc/86/51/72/572865172.db2.gz SGHWQGLAMHUKNF-UHFFFAOYSA-N 0 0 187.242 2.620 10 0 AFAERN CCCCC[C@@H](O)C1(SC)CC1 307965618 572865226 /nfs/dbraw/zinc/86/52/26/572865226.db2.gz QTVPHGRIIOMHRR-SECBINFHSA-N 0 0 188.336 2.823 10 0 AFAERN COC(C)(C)[C@H](O)CCC(C)(C)C 86072091 572865527 /nfs/dbraw/zinc/86/55/27/572865527.db2.gz OTIQNCQFHKXYDI-SECBINFHSA-N 0 0 188.311 2.599 10 0 AFAERN COC(C)(C)C(=O)CC1CCCC1 86071477 572865559 /nfs/dbraw/zinc/86/55/59/572865559.db2.gz RYOQVPNSVSTKEU-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN C/C=C/COCc1cccc(Cl)n1 86114928 572865673 /nfs/dbraw/zinc/86/56/73/572865673.db2.gz REPBUSMWJXXYMI-NSCUHMNNSA-N 0 0 197.665 2.828 10 0 AFAERN CCC/C(C)=C/C=C\C(=O)OCC 308155262 572865804 /nfs/dbraw/zinc/86/58/04/572865804.db2.gz OYRHBWIJSZJMQC-NULKZJHKSA-N 0 0 182.263 2.852 10 0 AFAERN CCC(=O)COc1ccccc1CC 50181490 572865848 /nfs/dbraw/zinc/86/58/48/572865848.db2.gz JWIXPVNRIBWWRX-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN C[C@]12C[C@@H]3c4ccccc4[C@H]1[C@@H]32 71786056 572865873 /nfs/dbraw/zinc/86/58/73/572865873.db2.gz UWXQGXRETAMLGD-KXNHARMFSA-N 0 0 156.228 2.907 10 0 AFAERN CCC[C@@H](C)C[C@@H](O)C(C)(C)OC 86072497 572866174 /nfs/dbraw/zinc/86/61/74/572866174.db2.gz VDUSCKKCIXEUFP-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CCCCC[C@H](O)C1(SC)CC1 307965620 572867261 /nfs/dbraw/zinc/86/72/61/572867261.db2.gz QTVPHGRIIOMHRR-VIFPVBQESA-N 0 0 188.336 2.823 10 0 AFAERN Nc1cccc(F)c1[C@H]1C=CCC1 75567509 572866308 /nfs/dbraw/zinc/86/63/08/572866308.db2.gz HBMQLTOXPHNVAC-QMMMGPOBSA-N 0 0 177.222 2.842 10 0 AFAERN Oc1ccc(C2CC=CC2)c(O)c1 75566404 572867164 /nfs/dbraw/zinc/86/71/64/572867164.db2.gz PZTUKOBVMYGFSV-UHFFFAOYSA-N 0 0 176.215 2.531 10 0 AFAERN CN(c1cccnc1)C1CCCCC1 71711176 572866428 /nfs/dbraw/zinc/86/64/28/572866428.db2.gz KVGPTHMFWKNWIP-UHFFFAOYSA-N 0 0 190.290 2.851 10 0 AFAERN CC1(C)CCc2c1ccc(F)c2N 75569443 572866485 /nfs/dbraw/zinc/86/64/85/572866485.db2.gz WDLNKOYAMDBBTP-UHFFFAOYSA-N 0 0 179.238 2.632 10 0 AFAERN CC1=C[C@H](C/C(C)=C\CO)SCC1 308154500 572866512 /nfs/dbraw/zinc/86/65/12/572866512.db2.gz LQXNDEKAIYDGJC-QSADENFPSA-N 0 0 198.331 2.767 10 0 AFAERN Oc1cccc(OC2=CCCC2)c1 75566408 572866519 /nfs/dbraw/zinc/86/65/19/572866519.db2.gz LPJFLRIXVFILMX-UHFFFAOYSA-N 0 0 176.215 2.839 10 0 AFAERN Nc1cc(F)ccc1[C@@H]1C=CCC1 75567523 572866528 /nfs/dbraw/zinc/86/65/28/572866528.db2.gz KLSNTDIVIYFYTI-MRVPVSSYSA-N 0 0 177.222 2.842 10 0 AFAERN CCOCCCC(=O)CCCCF 308154766 572866551 /nfs/dbraw/zinc/86/65/51/572866551.db2.gz SRIYQYHVXQOHTO-UHFFFAOYSA-N 0 0 190.258 2.512 10 0 AFAERN CC1=Nc2cc(O)ccc2C1(C)C 75565428 572866708 /nfs/dbraw/zinc/86/67/08/572866708.db2.gz UHOTVFFGKPEUPQ-UHFFFAOYSA-N 0 0 175.231 2.776 10 0 AFAERN Nc1cc(F)ccc1[C@H]1C=CCC1 75567511 572866898 /nfs/dbraw/zinc/86/68/98/572866898.db2.gz KLSNTDIVIYFYTI-QMMMGPOBSA-N 0 0 177.222 2.842 10 0 AFAERN Cc1ccc(Cn2cccc2)s1 50225798 572866954 /nfs/dbraw/zinc/86/69/54/572866954.db2.gz BFGHPAAEHLFQNL-UHFFFAOYSA-N 0 0 177.272 2.906 10 0 AFAERN CC1(C)CCc2c(N)ccc(F)c21 75569445 572866956 /nfs/dbraw/zinc/86/69/56/572866956.db2.gz VMERYHARFGTHAC-UHFFFAOYSA-N 0 0 179.238 2.632 10 0 AFAERN Nc1cccc(F)c1[C@@H]1C=CCC1 75567510 572866973 /nfs/dbraw/zinc/86/69/73/572866973.db2.gz HBMQLTOXPHNVAC-MRVPVSSYSA-N 0 0 177.222 2.842 10 0 AFAERN CO/C=C\CCC[C@H](O)C(C)(C)C 308154475 572867125 /nfs/dbraw/zinc/86/71/25/572867125.db2.gz LKXMESQZPXIYNO-RNKPRXRFSA-N 0 0 186.295 2.724 10 0 AFAERN CCC[C@H](CO)COC(CC)CC 308154724 572867198 /nfs/dbraw/zinc/86/71/98/572867198.db2.gz SNYHZBPSGJRYFH-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CCCC[C@@H]1C[C@H]1[C@@H](O)C(C)C 307964782 572867821 /nfs/dbraw/zinc/86/78/21/572867821.db2.gz PZEYFLGJEHPLAT-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)=C[C@H]1CC1(C)C 71789356 572867530 /nfs/dbraw/zinc/86/75/30/572867530.db2.gz JLEYIXWABQURRS-QMMMGPOBSA-N 0 0 124.227 2.999 10 0 AFAERN C[C@@H]1C[C@](O)(C2=CCCCC2)CS1 235382248 572868658 /nfs/dbraw/zinc/86/86/58/572868658.db2.gz BLAZRNYAQHAOPC-MWLCHTKSSA-N 0 0 198.331 2.743 10 0 AFAERN CC(C)=C[C@@H]1CC1(C)C 71789355 572867904 /nfs/dbraw/zinc/86/79/04/572867904.db2.gz JLEYIXWABQURRS-MRVPVSSYSA-N 0 0 124.227 2.999 10 0 AFAERN CC1=C[C@@H](C/C(C)=C\CO)SCC1 308154499 572868082 /nfs/dbraw/zinc/86/80/82/572868082.db2.gz LQXNDEKAIYDGJC-IMAIQDNJSA-N 0 0 198.331 2.767 10 0 AFAERN CCCCSCc1cccc(N)n1 86118948 572868221 /nfs/dbraw/zinc/86/82/21/572868221.db2.gz BTMYNDWTTCUCGU-UHFFFAOYSA-N 0 0 196.319 2.697 10 0 AFAERN Cc1cc(O)cc(C(=O)C(C)C)c1 75568521 572868251 /nfs/dbraw/zinc/86/82/51/572868251.db2.gz AKGHLPHYERSRLN-UHFFFAOYSA-N 0 0 178.231 2.539 10 0 AFAERN CC1=Nc2cccc(O)c2C1(C)C 75565430 572868257 /nfs/dbraw/zinc/86/82/57/572868257.db2.gz XNDDYXMRFLKGHQ-UHFFFAOYSA-N 0 0 175.231 2.776 10 0 AFAERN CC[C@@H](C)SCc1cccc(N)n1 86118889 572868329 /nfs/dbraw/zinc/86/83/29/572868329.db2.gz UBFJGAIKYCSGFV-MRVPVSSYSA-N 0 0 196.319 2.696 10 0 AFAERN CC(C)CSCc1cccc(N)n1 86118913 572868619 /nfs/dbraw/zinc/86/86/19/572868619.db2.gz WHLDWDRWRHXKQI-UHFFFAOYSA-N 0 0 196.319 2.553 10 0 AFAERN C[C@@H](CO)CCSc1ccccc1 86103406 572868747 /nfs/dbraw/zinc/86/87/47/572868747.db2.gz RAPDIXTYYXYEGZ-SNVBAGLBSA-N 0 0 196.315 2.797 10 0 AFAERN CC(C)OCCCC(=O)CC1(C)CC1 689508061 572868731 /nfs/dbraw/zinc/86/87/31/572868731.db2.gz RQTBNCDSTDSKKQ-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@](C)(CO)CCSC(C)C 307966624 572868734 /nfs/dbraw/zinc/86/87/34/572868734.db2.gz RRIPSEIRXCUBRU-JTQLQIEISA-N 0 0 190.352 2.927 10 0 AFAERN CCNc1cccc(CSCC)n1 86118800 572869057 /nfs/dbraw/zinc/86/90/57/572869057.db2.gz WFRAQEDGTJSJDC-UHFFFAOYSA-N 0 0 196.319 2.767 10 0 AFAERN CC[C@@](C)(CO)CCSC(C)C 307966625 572869443 /nfs/dbraw/zinc/86/94/43/572869443.db2.gz RRIPSEIRXCUBRU-SNVBAGLBSA-N 0 0 190.352 2.927 10 0 AFAERN CC[C@H](C)SCc1cccc(N)n1 86118891 572869516 /nfs/dbraw/zinc/86/95/16/572869516.db2.gz UBFJGAIKYCSGFV-QMMMGPOBSA-N 0 0 196.319 2.696 10 0 AFAERN Cc1cc2c(C=O)c[nH]c2cc1Cl 77597310 572869609 /nfs/dbraw/zinc/86/96/09/572869609.db2.gz VGLNWXHAACAZQH-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN O=Cc1ccc(C/C=C\Cl)cc1 75570370 572869743 /nfs/dbraw/zinc/86/97/43/572869743.db2.gz OLESJBNSIDNEHK-XFSBKJJWSA-N 0 0 180.634 2.794 10 0 AFAERN CCCSCc1cccc(NC)n1 86118814 572869777 /nfs/dbraw/zinc/86/97/77/572869777.db2.gz VOXFPKQLBVARAY-UHFFFAOYSA-N 0 0 196.319 2.767 10 0 AFAERN C[C@H](CO)CCSc1ccccc1 86103404 572870012 /nfs/dbraw/zinc/87/00/12/572870012.db2.gz RAPDIXTYYXYEGZ-JTQLQIEISA-N 0 0 196.315 2.797 10 0 AFAERN CC(C)CCOC(=O)/C=C\C1CC1 308157094 572870331 /nfs/dbraw/zinc/87/03/31/572870331.db2.gz SCPQBEJBQKQNPS-WAYWQWQTSA-N 0 0 182.263 2.542 10 0 AFAERN CCCc1ccc(C(=N)OC)cc1 77266723 572870439 /nfs/dbraw/zinc/87/04/39/572870439.db2.gz RCZMYIFBJRFGJI-UHFFFAOYSA-N 0 0 177.247 2.611 10 0 AFAERN CCSCc1cc(C)ccc1O 75576128 572870481 /nfs/dbraw/zinc/87/04/81/572870481.db2.gz PJBVQIMBOPREHS-UHFFFAOYSA-N 0 0 182.288 2.954 10 0 AFAERN CON(CCC(C)C)CC(C)C 307966900 572870521 /nfs/dbraw/zinc/87/05/21/572870521.db2.gz CQFJYMQGPLPJTG-UHFFFAOYSA-N 0 0 173.300 2.552 10 0 AFAERN CSCCC(=O)CC1(C)CCC1 307970694 572871680 /nfs/dbraw/zinc/87/16/80/572871680.db2.gz XCFROCJSDKKFBY-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CC(C)SCCC[C@@H](O)C1CC1 307967462 572871748 /nfs/dbraw/zinc/87/17/48/572871748.db2.gz SPIOZYIOLWUSPF-SNVBAGLBSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1ccc(C)c2c1O[C@H](C)CC2=O 35741212 572871807 /nfs/dbraw/zinc/87/18/07/572871807.db2.gz VQEDXTHVHCVIOV-SECBINFHSA-N 0 0 190.242 2.657 10 0 AFAERN Cc1ccc2[nH]cc(C=O)c2c1Cl 77597309 572872002 /nfs/dbraw/zinc/87/20/02/572872002.db2.gz RYBXRHHEFDCWED-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN COc1cc([C@@H]2C=CCC2)ccc1O 75579751 572872612 /nfs/dbraw/zinc/87/26/12/572872612.db2.gz DMWXLQDBYGIEJG-SECBINFHSA-N 0 0 190.242 2.834 10 0 AFAERN COc1cc([C@H]2C=CCC2)ccc1O 75579750 572872693 /nfs/dbraw/zinc/87/26/93/572872693.db2.gz DMWXLQDBYGIEJG-VIFPVBQESA-N 0 0 190.242 2.834 10 0 AFAERN Oc1cccc(O[C@@H]2CC=CCC2)c1 75579744 572872775 /nfs/dbraw/zinc/87/27/75/572872775.db2.gz MTEGHQBHMPCGIC-LLVKDONJSA-N 0 0 190.242 2.880 10 0 AFAERN COc1cccc(C2CC=CC2)c1O 75579745 572872836 /nfs/dbraw/zinc/87/28/36/572872836.db2.gz PZJPXBLTLLUFBX-UHFFFAOYSA-N 0 0 190.242 2.834 10 0 AFAERN CC/C=C/Cc1ccc(O)c(C=O)c1 75579705 572872943 /nfs/dbraw/zinc/87/29/43/572872943.db2.gz PYTIQFQHWVZYRH-ONEGZZNKSA-N 0 0 190.242 2.713 10 0 AFAERN COc1cc(O)ccc1[C@@H]1C=CCC1 75579759 572872975 /nfs/dbraw/zinc/87/29/75/572872975.db2.gz SMWPQWUENMXRIL-SECBINFHSA-N 0 0 190.242 2.834 10 0 AFAERN COc1cc(O)ccc1[C@H]1C=CCC1 75579758 572873073 /nfs/dbraw/zinc/87/30/73/572873073.db2.gz SMWPQWUENMXRIL-VIFPVBQESA-N 0 0 190.242 2.834 10 0 AFAERN CC(C)SCCC[C@H](O)C1CC1 307967460 572873167 /nfs/dbraw/zinc/87/31/67/572873167.db2.gz SPIOZYIOLWUSPF-JTQLQIEISA-N 0 0 188.336 2.679 10 0 AFAERN Cc1ccc(C)c(-c2coc(N)n2)c1 50266292 572874200 /nfs/dbraw/zinc/87/42/00/572874200.db2.gz GDXNPJNMVQHAPS-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1scnc1-c1cocc1C=O 75525767 572873472 /nfs/dbraw/zinc/87/34/72/572873472.db2.gz MPZVNQDJQARSAE-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1ncsc1-c1cocc1C=O 75525595 572873651 /nfs/dbraw/zinc/87/36/51/572873651.db2.gz LDWMBUVEMNPRDX-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1conc1-c1cscc1C=O 75525281 572873899 /nfs/dbraw/zinc/87/38/99/572873899.db2.gz SGQULLOTWGLVHX-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN C[C@@H](CC(C)(C)C)C(=O)OC1CC1 308155522 572874080 /nfs/dbraw/zinc/87/40/80/572874080.db2.gz QWGLCMSUFKMXNY-QMMMGPOBSA-N 0 0 184.279 2.764 10 0 AFAERN O=Cc1cocc1-c1cccc(F)c1 75525534 572874113 /nfs/dbraw/zinc/87/41/13/572874113.db2.gz VOVICDTUNHWRQU-UHFFFAOYSA-N 0 0 190.173 2.898 10 0 AFAERN C[C@H](O)/C=C\[C@H]1C=CCCC1(C)C 308161839 572874321 /nfs/dbraw/zinc/87/43/21/572874321.db2.gz MLDULXACRHMSCL-MYEMAUTDSA-N 0 0 180.291 2.916 10 0 AFAERN Cc1ncc(-c2cocc2C=O)s1 75525789 572874344 /nfs/dbraw/zinc/87/43/44/572874344.db2.gz XGVXMOIZGFNEBS-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN C=C/C(=C/Cl)P(=O)(OC)OC 210235860 572874460 /nfs/dbraw/zinc/87/44/60/572874460.db2.gz JLMZFJGMIBABJQ-WAYWQWQTSA-N 0 0 196.570 2.739 10 0 AFAERN CCCCCSCCC1(O)CC1 307970752 572874510 /nfs/dbraw/zinc/87/45/10/572874510.db2.gz GXUHZVOJBSURAA-UHFFFAOYSA-N 0 0 188.336 2.825 10 0 AFAERN O=Cc1cscc1-c1cncs1 75525364 572874528 /nfs/dbraw/zinc/87/45/28/572874528.db2.gz YNRPCFAMAHMQFL-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN Cc1cc(-c2cscc2C=O)no1 75525277 572874535 /nfs/dbraw/zinc/87/45/35/572874535.db2.gz RHNKTNIYXYUETP-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(C)COC(=O)/C=C\C(C)(C)C 308161647 572874692 /nfs/dbraw/zinc/87/46/92/572874692.db2.gz VKAADZQKVNPZIW-SREVYHEPSA-N 0 0 184.279 2.788 10 0 AFAERN CC(C)COC(=O)/C=C/C(C)(C)C 308161648 572874826 /nfs/dbraw/zinc/87/48/26/572874826.db2.gz VKAADZQKVNPZIW-VOTSOKGWSA-N 0 0 184.279 2.788 10 0 AFAERN CC(C)(C)c1nsc2[nH]cc(N)c12 75520932 572874865 /nfs/dbraw/zinc/87/48/65/572874865.db2.gz IHOKXGLUZINYBL-UHFFFAOYSA-N 0 0 195.291 2.504 10 0 AFAERN O=Cc1cocc1-c1ccccc1F 75525493 572875029 /nfs/dbraw/zinc/87/50/29/572875029.db2.gz IHSJTFCKSXDXOF-UHFFFAOYSA-N 0 0 190.173 2.898 10 0 AFAERN O=Cc1cocc1-c1ccc(F)cc1 75525494 572875050 /nfs/dbraw/zinc/87/50/50/572875050.db2.gz WSJHKFYQXORRAZ-UHFFFAOYSA-N 0 0 190.173 2.898 10 0 AFAERN O=Cc1cocc1-c1cccs1 75525538 572875079 /nfs/dbraw/zinc/87/50/79/572875079.db2.gz HJEBXVFISQHAHP-UHFFFAOYSA-N 0 0 178.212 2.821 10 0 AFAERN C[C@@H](O)/C=C\[C@H]1C=CCCC1(C)C 308161840 572875106 /nfs/dbraw/zinc/87/51/06/572875106.db2.gz MLDULXACRHMSCL-YTHBOFTNSA-N 0 0 180.291 2.916 10 0 AFAERN CCCOc1cc(C)c(C)cc1O 36201299 572875283 /nfs/dbraw/zinc/87/52/83/572875283.db2.gz VHYNRESLJNZGSS-UHFFFAOYSA-N 0 0 180.247 2.798 10 0 AFAERN Cc1ncc(-c2cscc2C=O)o1 75525367 572875356 /nfs/dbraw/zinc/87/53/56/572875356.db2.gz HRDRJUJRSDGLEH-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1nc(-c2cocc2C=O)cs1 75525568 572875367 /nfs/dbraw/zinc/87/53/67/572875367.db2.gz RRFJOENDHZPFRB-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CCc1c(C=O)csc1SC 75526606 572875965 /nfs/dbraw/zinc/87/59/65/572875965.db2.gz WQJDWOVTHOVHSI-UHFFFAOYSA-N 0 0 186.301 2.845 10 0 AFAERN CCOc1cc(C)c(Cl)cc1O 36199115 572875644 /nfs/dbraw/zinc/87/56/44/572875644.db2.gz WRCCXWRSCRRLJF-UHFFFAOYSA-N 0 0 186.638 2.753 10 0 AFAERN O=Cc1cscc1-c1cscn1 75525256 572875710 /nfs/dbraw/zinc/87/57/10/572875710.db2.gz UIIPNZFZTBQJJG-UHFFFAOYSA-N 0 0 195.268 2.684 10 0 AFAERN O=Cc1cscc1-c1cc[nH]c1 75525239 572875798 /nfs/dbraw/zinc/87/57/98/572875798.db2.gz ARGQBJWUCYVDHR-UHFFFAOYSA-N 0 0 177.228 2.556 10 0 AFAERN CC(C)c1nsc2occ(N)c12 75520187 572875865 /nfs/dbraw/zinc/87/58/65/572875865.db2.gz XEWDBCQJJXLTMF-UHFFFAOYSA-N 0 0 182.248 2.595 10 0 AFAERN Cc1nocc1-c1cscc1C=O 75525294 572875887 /nfs/dbraw/zinc/87/58/87/572875887.db2.gz XURKNZUQJNNBLW-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1coc(-c2cscc2C=O)n1 75525332 572875890 /nfs/dbraw/zinc/87/58/90/572875890.db2.gz GPRKTODTXCLDJN-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cn1ccc(-c2cscc2C=O)c1 75525242 572875907 /nfs/dbraw/zinc/87/59/07/572875907.db2.gz QKNYQDXBFINBGE-UHFFFAOYSA-N 0 0 191.255 2.566 10 0 AFAERN O=Cc1cocc1C1CCCC1 75525429 572876023 /nfs/dbraw/zinc/87/60/23/572876023.db2.gz CNROHAFEVUVULP-UHFFFAOYSA-N 0 0 164.204 2.750 10 0 AFAERN Cc1cnc(-c2cscc2C=O)o1 75525335 572876029 /nfs/dbraw/zinc/87/60/29/572876029.db2.gz WUSDNBLGEZVMEH-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(C)Cc1nsc2occ(N)c12 75520193 572876209 /nfs/dbraw/zinc/87/62/09/572876209.db2.gz UQHFBLULHYIPJY-UHFFFAOYSA-N 0 0 196.275 2.670 10 0 AFAERN O=Cc1cscc1Cc1ccco1 75525386 572876265 /nfs/dbraw/zinc/87/62/65/572876265.db2.gz RPZKVABHEQQVSQ-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN OCCCCC1=CC=CC=CC=C1 308157410 572876867 /nfs/dbraw/zinc/87/68/67/572876867.db2.gz SFVOFVCGAWJGSX-UHFFFAOYSA-N 0 0 176.259 2.758 10 0 AFAERN C[C@@H](O)/C=C\C=C=C1CCCCC1 308162396 572876882 /nfs/dbraw/zinc/87/68/82/572876882.db2.gz NOUWBERFJIOWIB-JPVGGKMYSA-N 0 0 178.275 2.969 10 0 AFAERN CCC(CC)[C@@H]1CNc2cc[nH]c2N1 75597808 572876915 /nfs/dbraw/zinc/87/69/15/572876915.db2.gz WZXAPLIMUDWNED-JTQLQIEISA-N 0 0 193.294 2.657 10 0 AFAERN C[C@@H](CC(=O)OC1CC1)C(C)(C)C 308157662 572877447 /nfs/dbraw/zinc/87/74/47/572877447.db2.gz SIGJSJXHTIFNJB-QMMMGPOBSA-N 0 0 184.279 2.764 10 0 AFAERN Cc1cc(C2CC2)c2c(N)coc2n1 75584932 572878105 /nfs/dbraw/zinc/87/81/05/572878105.db2.gz KCIPFBNZABMBKI-UHFFFAOYSA-N 0 0 188.230 2.596 10 0 AFAERN CCCC[C@H](O)C1=CCCC1 50329150 572877166 /nfs/dbraw/zinc/87/71/66/572877166.db2.gz RYSFMQQUKCHGQK-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)c1cc(N2CCCC2)cs1 75528472 572877201 /nfs/dbraw/zinc/87/72/01/572877201.db2.gz IICHOHPCWRMNDQ-UHFFFAOYSA-N 0 0 195.287 2.551 10 0 AFAERN CCN(CC)c1ccc(C(C)=O)s1 75528423 572877350 /nfs/dbraw/zinc/87/73/50/572877350.db2.gz LICKFFHLSVHVTP-UHFFFAOYSA-N 0 0 197.303 2.797 10 0 AFAERN CCCC[C@@H](O)C1=CCCC1 50329151 572877352 /nfs/dbraw/zinc/87/73/52/572877352.db2.gz RYSFMQQUKCHGQK-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cc(Cl)nc2c1CC=C2 214723650 572877362 /nfs/dbraw/zinc/87/73/62/572877362.db2.gz JOEQNHLGJGNAGD-UHFFFAOYSA-N 0 0 165.623 2.613 10 0 AFAERN CC1(C)CCc2cc(C=O)ccc2N1 196574254 572877367 /nfs/dbraw/zinc/87/73/67/572877367.db2.gz MFDPOHNISFEQBE-UHFFFAOYSA-N 0 0 189.258 2.636 10 0 AFAERN CC(C)[C@@H](O)[C@@H](C)Cc1ccccc1 86183715 572877374 /nfs/dbraw/zinc/87/73/74/572877374.db2.gz BTQOQNGECRENNX-WCQYABFASA-N 0 0 192.302 2.882 10 0 AFAERN O[C@H](C1=CCCC1)c1ccccc1F 50329230 572877415 /nfs/dbraw/zinc/87/74/15/572877415.db2.gz VZWXUUNFXYZTPX-GFCCVEGCSA-N 0 0 192.233 2.969 10 0 AFAERN CC(C)[C@H](O)C1=CCCCC1 50328728 572877465 /nfs/dbraw/zinc/87/74/65/572877465.db2.gz JBHNKUHBQGXYGS-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN c1ccc([C@H]2CNc3cc[nH]c3N2)cc1 75597852 572877488 /nfs/dbraw/zinc/87/74/88/572877488.db2.gz VCMFGIQYZANKCV-LLVKDONJSA-N 0 0 199.257 2.593 10 0 AFAERN CC(C)/C=C\[C@H](O)c1ccccc1 308161966 572877489 /nfs/dbraw/zinc/87/74/89/572877489.db2.gz NDPVIXXBIKZQID-LAUAKBEESA-N 0 0 176.259 2.932 10 0 AFAERN Cc1cc(C(C)C)c2c(N)coc2n1 75584886 572877643 /nfs/dbraw/zinc/87/76/43/572877643.db2.gz MLERFKHNXLUZFX-UHFFFAOYSA-N 0 0 190.246 2.842 10 0 AFAERN O[C@H](C1=CCCC1)c1cccc(F)c1 50329071 572877655 /nfs/dbraw/zinc/87/76/55/572877655.db2.gz PWHHSIUWRHGQFS-GFCCVEGCSA-N 0 0 192.233 2.969 10 0 AFAERN CCN(CC)c1csc(C(C)=O)c1 75528481 572877686 /nfs/dbraw/zinc/87/76/86/572877686.db2.gz BDWOQFVKBRYSHM-UHFFFAOYSA-N 0 0 197.303 2.797 10 0 AFAERN CCOC(=O)CCC(C)=C(C)C 118683597 572877705 /nfs/dbraw/zinc/87/77/05/572877705.db2.gz YIBNYCHMVDYKGM-UHFFFAOYSA-N 0 0 170.252 2.686 10 0 AFAERN CC(C)[C@H](O)[C@@H](C)Cc1ccccc1 86183714 572877839 /nfs/dbraw/zinc/87/78/39/572877839.db2.gz BTQOQNGECRENNX-AAEUAGOBSA-N 0 0 192.302 2.882 10 0 AFAERN C[C@H](O)/C=C\C=C=C1CCCCC1 308162397 572877887 /nfs/dbraw/zinc/87/78/87/572877887.db2.gz NOUWBERFJIOWIB-XOIDGJRKSA-N 0 0 178.275 2.969 10 0 AFAERN CC(C)C[C@@H](O)C1=CCCCC1 50328771 572877912 /nfs/dbraw/zinc/87/79/12/572877912.db2.gz FUZVCXOAJCKTHX-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN O[C@H](C1=CCCCC1)c1cccnc1 50328804 572877938 /nfs/dbraw/zinc/87/79/38/572877938.db2.gz NZAMKRISOUDLIT-GFCCVEGCSA-N 0 0 189.258 2.615 10 0 AFAERN CC[C@@H](C)c1ccc(C(=O)C=O)cc1 77275133 572877974 /nfs/dbraw/zinc/87/79/74/572877974.db2.gz WKCADBGHLQSUCR-SECBINFHSA-N 0 0 190.242 2.582 10 0 AFAERN C[C@H](CC(=O)OC1CC1)C(C)(C)C 308157660 572878136 /nfs/dbraw/zinc/87/81/36/572878136.db2.gz SIGJSJXHTIFNJB-MRVPVSSYSA-N 0 0 184.279 2.764 10 0 AFAERN c1ccc([C@@H]2CNc3cc[nH]c3N2)cc1 75597846 572878186 /nfs/dbraw/zinc/87/81/86/572878186.db2.gz VCMFGIQYZANKCV-NSHDSACASA-N 0 0 199.257 2.593 10 0 AFAERN CC(C)[C@H](O)[C@H](C)Cc1ccccc1 86183717 572878337 /nfs/dbraw/zinc/87/83/37/572878337.db2.gz BTQOQNGECRENNX-YPMHNXCESA-N 0 0 192.302 2.882 10 0 AFAERN O[C@@H](C1=CCCCCC1)C(F)(F)F 50329472 572878362 /nfs/dbraw/zinc/87/83/62/572878362.db2.gz MRPQGPIERQCLNE-QMMMGPOBSA-N 0 0 194.196 2.800 10 0 AFAERN O[C@H](C1=CCCCCC1)C(F)(F)F 50329473 572878381 /nfs/dbraw/zinc/87/83/81/572878381.db2.gz MRPQGPIERQCLNE-MRVPVSSYSA-N 0 0 194.196 2.800 10 0 AFAERN c1cc2c([nH]1)NC1(CCCCC1)CN2 75597919 572878863 /nfs/dbraw/zinc/87/88/63/572878863.db2.gz SAWWLVWZNPZWCP-UHFFFAOYSA-N 0 0 191.278 2.555 10 0 AFAERN CCc1nc([C@H](C)CC)c(N)s1 50308270 572878597 /nfs/dbraw/zinc/87/85/97/572878597.db2.gz SOPKHIFVODNNRR-ZCFIWIBFSA-N 0 0 184.308 2.801 10 0 AFAERN CCC(CC)[C@H]1CNc2cc[nH]c2N1 75597810 572879035 /nfs/dbraw/zinc/87/90/35/572879035.db2.gz WZXAPLIMUDWNED-SNVBAGLBSA-N 0 0 193.294 2.657 10 0 AFAERN CC[C@H](C)c1ccc(C(=O)C=O)cc1 77275137 572879050 /nfs/dbraw/zinc/87/90/50/572879050.db2.gz WKCADBGHLQSUCR-VIFPVBQESA-N 0 0 190.242 2.582 10 0 AFAERN CC(C)C[C@H](O)C1=CCCCC1 50328770 572879052 /nfs/dbraw/zinc/87/90/52/572879052.db2.gz FUZVCXOAJCKTHX-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN C[C@H](O)/C=C\[C@@H](C)c1ccccc1 308160131 572879611 /nfs/dbraw/zinc/87/96/11/572879611.db2.gz XSPMVXLXEDLFQK-XJMUJKMXSA-N 0 0 176.259 2.727 10 0 AFAERN O[C@H](C1=CCCCC1)C1CCC1 50329028 572879272 /nfs/dbraw/zinc/87/92/72/572879272.db2.gz IXPJZEDLIAVFEN-LLVKDONJSA-N 0 0 166.264 2.648 10 0 AFAERN O[C@H](C1=CCCCC1)c1ccncc1 50328810 572879351 /nfs/dbraw/zinc/87/93/51/572879351.db2.gz RFDUEIYKFMZNDM-GFCCVEGCSA-N 0 0 189.258 2.615 10 0 AFAERN O[C@@H](C1=CCCCC1)c1ccncc1 50328811 572879391 /nfs/dbraw/zinc/87/93/91/572879391.db2.gz RFDUEIYKFMZNDM-LBPRGKRZSA-N 0 0 189.258 2.615 10 0 AFAERN CN[C@@H](C1=CCCCC1)C(F)(F)F 50326201 572879481 /nfs/dbraw/zinc/87/94/81/572879481.db2.gz SBIUBIWGKZSCII-QMMMGPOBSA-N 0 0 193.212 2.637 10 0 AFAERN CCc1nc([C@@H](C)CC)c(N)s1 50308269 572879487 /nfs/dbraw/zinc/87/94/87/572879487.db2.gz SOPKHIFVODNNRR-LURJTMIESA-N 0 0 184.308 2.801 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H](O)C1=CCCCC1 50329019 572879546 /nfs/dbraw/zinc/87/95/46/572879546.db2.gz YPGQQSLDTDWNOJ-DVVUODLYSA-N 0 0 166.264 2.504 10 0 AFAERN O[C@H](C1=CCCC1)C1CCCC1 50329354 572879600 /nfs/dbraw/zinc/87/96/00/572879600.db2.gz UVBINZLZIIVFSK-LLVKDONJSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)C1=CCCCC1 50329021 572880122 /nfs/dbraw/zinc/88/01/22/572880122.db2.gz YPGQQSLDTDWNOJ-FBIMIBRVSA-N 0 0 166.264 2.504 10 0 AFAERN CN[C@H](C1=CCCCC1)C(F)(F)F 50326202 572880183 /nfs/dbraw/zinc/88/01/83/572880183.db2.gz SBIUBIWGKZSCII-MRVPVSSYSA-N 0 0 193.212 2.637 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)[C@@H](C)CO2 35756968 572880189 /nfs/dbraw/zinc/88/01/89/572880189.db2.gz JBFDUXVKVSDDHJ-VIFPVBQESA-N 0 0 190.242 2.515 10 0 AFAERN CC1=C[C@H](C)C[C@@H]([C@@H](O)C2CC2)C1 235387378 572880287 /nfs/dbraw/zinc/88/02/87/572880287.db2.gz FPVNDKDFOYSCJM-AXTRIDKLSA-N 0 0 180.291 2.750 10 0 AFAERN C/C=C\CN(CCC)CC(F)F 307971110 572880351 /nfs/dbraw/zinc/88/03/51/572880351.db2.gz HBPPQTWPBQASRP-HYXAFXHYSA-N 0 0 177.238 2.540 10 0 AFAERN C=C(c1ccncc1)c1ccccc1N 75599381 572880741 /nfs/dbraw/zinc/88/07/41/572880741.db2.gz DMVDIOOFAHVPKA-UHFFFAOYSA-N 0 0 196.253 2.725 10 0 AFAERN c1cc2c([nH]1)OC1(CCCCC1)CN2 75599442 572880460 /nfs/dbraw/zinc/88/04/60/572880460.db2.gz ZTDABGHBXIHROP-UHFFFAOYSA-N 0 0 192.262 2.522 10 0 AFAERN CC(C)[C@@H](O)[C@H](C)Cc1ccccc1 86183721 572880465 /nfs/dbraw/zinc/88/04/65/572880465.db2.gz BTQOQNGECRENNX-DGCLKSJQSA-N 0 0 192.302 2.882 10 0 AFAERN CC(C)[C@H]1CN(C)c2cc[nH]c2S1 75599601 572880519 /nfs/dbraw/zinc/88/05/19/572880519.db2.gz MJKPGSNCPMPKKS-SECBINFHSA-N 0 0 196.319 2.581 10 0 AFAERN CCC(CC)[C@@H]1CNc2c[nH]cc2N1 75598191 572880610 /nfs/dbraw/zinc/88/06/10/572880610.db2.gz ZCCRPTTZLQTOSO-VIFPVBQESA-N 0 0 193.294 2.657 10 0 AFAERN Cc1ccc2c(c1C)OC[C@H](C)C2=O 35756877 572880613 /nfs/dbraw/zinc/88/06/13/572880613.db2.gz HJOWNHGHMZHPMH-QMMMGPOBSA-N 0 0 190.242 2.515 10 0 AFAERN Cc1ccc(C)c2c1OC[C@@H](C)C2=O 35756857 572880623 /nfs/dbraw/zinc/88/06/23/572880623.db2.gz JDXAVVZBVJGOBD-SECBINFHSA-N 0 0 190.242 2.515 10 0 AFAERN c1ccc([C@H]2CNc3c[nH]cc3N2)cc1 75598227 572880669 /nfs/dbraw/zinc/88/06/69/572880669.db2.gz VJMJDAIGTPNLQO-SNVBAGLBSA-N 0 0 199.257 2.593 10 0 AFAERN Cc1c(-c2ccccc2)ccnc1C=O 75599894 572880721 /nfs/dbraw/zinc/88/07/21/572880721.db2.gz STMTWFGYRDAYHZ-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN C=C(c1ccccn1)c1ccccc1N 75599380 572880761 /nfs/dbraw/zinc/88/07/61/572880761.db2.gz GEIAGIXVNHNEQF-UHFFFAOYSA-N 0 0 196.253 2.725 10 0 AFAERN C[C@@H]1COc2ccc(Cl)cc2C1=O 35756779 572880768 /nfs/dbraw/zinc/88/07/68/572880768.db2.gz XZYWJEGILOPDJG-ZCFIWIBFSA-N 0 0 196.633 2.551 10 0 AFAERN CC(C)[C@@H]1CN(C)c2cc[nH]c2S1 75599599 572880832 /nfs/dbraw/zinc/88/08/32/572880832.db2.gz MJKPGSNCPMPKKS-VIFPVBQESA-N 0 0 196.319 2.581 10 0 AFAERN CC(C)[C@@H]1CNc2cc[nH]c2S1 75599507 572880980 /nfs/dbraw/zinc/88/09/80/572880980.db2.gz SWATZKQGTUNDQW-QMMMGPOBSA-N 0 0 182.292 2.557 10 0 AFAERN CCC(CC)[C@H]1CNc2cc[nH]c2O1 75599400 572880984 /nfs/dbraw/zinc/88/09/84/572880984.db2.gz KKNBCHFECKJOMO-SNVBAGLBSA-N 0 0 194.278 2.624 10 0 AFAERN CCC[C@H]1C[C@H](C(=O)C(C)C)CCO1 86167126 572881058 /nfs/dbraw/zinc/88/10/58/572881058.db2.gz SJIRSHLFEXCPQL-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN c1ccc([C@@H]2CNc3c[nH]cc3N2)cc1 75598219 572881151 /nfs/dbraw/zinc/88/11/51/572881151.db2.gz VJMJDAIGTPNLQO-JTQLQIEISA-N 0 0 199.257 2.593 10 0 AFAERN CC(C)c1cn2ccccc2c1N 75600917 572883220 /nfs/dbraw/zinc/88/32/20/572883220.db2.gz NGLHTVUXBABQAJ-UHFFFAOYSA-N 0 0 174.247 2.645 10 0 AFAERN CCSC[C@@H](O)CC1(C)CCC1 307971990 572881158 /nfs/dbraw/zinc/88/11/58/572881158.db2.gz YSMJEJBATVQJPI-VIFPVBQESA-N 0 0 188.336 2.681 10 0 AFAERN CC(C)[C@@H]1CN(C)c2c[nH]cc2S1 75599628 572881213 /nfs/dbraw/zinc/88/12/13/572881213.db2.gz PRBMGPGVLNBTGE-JTQLQIEISA-N 0 0 196.319 2.581 10 0 AFAERN COC(C)(C)C[C@H](C)C(=O)C(C)C 86167106 572881297 /nfs/dbraw/zinc/88/12/97/572881297.db2.gz AWYHVBYOIZRTOY-VIFPVBQESA-N 0 0 186.295 2.663 10 0 AFAERN c1[nH]cc2c1NCC1(CCCCC1)N2 75598311 572881300 /nfs/dbraw/zinc/88/13/00/572881300.db2.gz ZOZXBGQVSMAIPO-UHFFFAOYSA-N 0 0 191.278 2.555 10 0 AFAERN CC(C)[C@H]1CN(C)c2c[nH]cc2S1 75599629 572881303 /nfs/dbraw/zinc/88/13/03/572881303.db2.gz PRBMGPGVLNBTGE-SNVBAGLBSA-N 0 0 196.319 2.581 10 0 AFAERN C[C@H]1COc2ccc(Cl)cc2C1=O 35756781 572881353 /nfs/dbraw/zinc/88/13/53/572881353.db2.gz XZYWJEGILOPDJG-LURJTMIESA-N 0 0 196.633 2.551 10 0 AFAERN C/C(Cl)=C\CN(N)c1ccccc1 75599590 572881366 /nfs/dbraw/zinc/88/13/66/572881366.db2.gz UJCVYHYAZVJGSH-VQHVLOKHSA-N 0 0 196.681 2.509 10 0 AFAERN CSCCN(C)c1ccc(C)cc1 308158677 572881375 /nfs/dbraw/zinc/88/13/75/572881375.db2.gz CITUYBVMCRWSAU-UHFFFAOYSA-N 0 0 195.331 2.794 10 0 AFAERN CC[C@@H](O)[C@@H](C)c1ccccc1OC 86166387 572881555 /nfs/dbraw/zinc/88/15/55/572881555.db2.gz GAWIYEZCJQZWAV-GXSJLCMTSA-N 0 0 194.274 2.570 10 0 AFAERN CC(C)CC1(C(=O)OC(C)C)CC1 308159400 572881633 /nfs/dbraw/zinc/88/16/33/572881633.db2.gz UHKUTNORIZLFCH-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN Cn1c2ccccc2c2ncccc21 116657450 572881658 /nfs/dbraw/zinc/88/16/58/572881658.db2.gz YVWUIQZWQRRGJE-UHFFFAOYSA-N 0 0 182.226 2.727 10 0 AFAERN Nc1ccc2c(c1)OCc1ccccc1-2 75599848 572881710 /nfs/dbraw/zinc/88/17/10/572881710.db2.gz MALXBHBAIRVXEM-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN CCC(CC)[C@@H]1CNc2cc[nH]c2O1 75599399 572881746 /nfs/dbraw/zinc/88/17/46/572881746.db2.gz KKNBCHFECKJOMO-JTQLQIEISA-N 0 0 194.278 2.624 10 0 AFAERN CCC(=O)[C@H](C)c1ccccc1OC 86161532 572881764 /nfs/dbraw/zinc/88/17/64/572881764.db2.gz QSXVCRXXVJWXDV-SECBINFHSA-N 0 0 192.258 2.778 10 0 AFAERN CC[C@H](O)[C@H](c1ccccc1)C1CC1 86166492 572881802 /nfs/dbraw/zinc/88/18/02/572881802.db2.gz KYDOLVCKVGVQOY-QWHCGFSZSA-N 0 0 190.286 2.951 10 0 AFAERN Cc1cc(C)c2c(c1)C(=O)[C@H](C)CO2 35756966 572881813 /nfs/dbraw/zinc/88/18/13/572881813.db2.gz JBFDUXVKVSDDHJ-SECBINFHSA-N 0 0 190.242 2.515 10 0 AFAERN CC(C)c1nc2c(s1)[C@@H](O)CCC2 50330801 572881820 /nfs/dbraw/zinc/88/18/20/572881820.db2.gz XRXJFSIXAXGRGE-QMMMGPOBSA-N 0 0 197.303 2.636 10 0 AFAERN CC(C)[C@H]1CNc2cc[nH]c2S1 75599509 572881824 /nfs/dbraw/zinc/88/18/24/572881824.db2.gz SWATZKQGTUNDQW-MRVPVSSYSA-N 0 0 182.292 2.557 10 0 AFAERN CCC[C@H]1C[C@@H](C(=O)CC)CCO1 86161620 572881869 /nfs/dbraw/zinc/88/18/69/572881869.db2.gz OXDUOJSLSYBLDS-UWVGGRQHSA-N 0 0 184.279 2.561 10 0 AFAERN c1cc2c([nH]1)SC1(CCCC1)CN2 75599533 572881894 /nfs/dbraw/zinc/88/18/94/572881894.db2.gz HELLCPMNNIVSPG-UHFFFAOYSA-N 0 0 194.303 2.845 10 0 AFAERN CC[C@H](O)[C@H](C)c1cccc(OC)c1 86166214 572883198 /nfs/dbraw/zinc/88/31/98/572883198.db2.gz AMABNKQHCQUMLL-SKDRFNHKSA-N 0 0 194.274 2.570 10 0 AFAERN Nc1cccc2c1-c1ccccc1OC2 75599850 572881933 /nfs/dbraw/zinc/88/19/33/572881933.db2.gz GADJBULSUMPJOZ-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN CC(C)CC(O)(C1CC1)C1CC1 307967850 572881936 /nfs/dbraw/zinc/88/19/36/572881936.db2.gz TZWOLWTZSDLDJD-UHFFFAOYSA-N 0 0 168.280 2.584 10 0 AFAERN CC(C)=CCSCCC1(O)CC1 307967798 572881968 /nfs/dbraw/zinc/88/19/68/572881968.db2.gz TWIKQKKAYLGTIO-UHFFFAOYSA-N 0 0 186.320 2.601 10 0 AFAERN CC[C@H](O)[C@@H](C)c1ccccc1OC 86166386 572881970 /nfs/dbraw/zinc/88/19/70/572881970.db2.gz GAWIYEZCJQZWAV-ONGXEEELSA-N 0 0 194.274 2.570 10 0 AFAERN C[C@H](O)/C=C\[C@H](C)c1ccccc1 308160130 572881972 /nfs/dbraw/zinc/88/19/72/572881972.db2.gz XSPMVXLXEDLFQK-QGNYPYLESA-N 0 0 176.259 2.727 10 0 AFAERN CCC(CC)[C@H]1CNc2c[nH]cc2N1 75598193 572882034 /nfs/dbraw/zinc/88/20/34/572882034.db2.gz ZCCRPTTZLQTOSO-SECBINFHSA-N 0 0 193.294 2.657 10 0 AFAERN CCC[C@@H]1C[C@H](C(=O)CC)CCO1 86161617 572882050 /nfs/dbraw/zinc/88/20/50/572882050.db2.gz OXDUOJSLSYBLDS-NXEZZACHSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)[C@H](C)c1cccc(OC)c1 86161711 572882127 /nfs/dbraw/zinc/88/21/27/572882127.db2.gz GOMICFXDZKVKCM-SECBINFHSA-N 0 0 192.258 2.778 10 0 AFAERN CCCCCCN(C)CC(F)F 307967974 572882250 /nfs/dbraw/zinc/88/22/50/572882250.db2.gz DNGJNOKXGUWZHI-UHFFFAOYSA-N 0 0 179.254 2.764 10 0 AFAERN COC(C)(C)C[C@@H](C)C(=O)C(C)C 86167108 572882258 /nfs/dbraw/zinc/88/22/58/572882258.db2.gz AWYHVBYOIZRTOY-SECBINFHSA-N 0 0 186.295 2.663 10 0 AFAERN CCC[C@@H]1C[C@@H](C(=O)CC)CCO1 86161619 572882268 /nfs/dbraw/zinc/88/22/68/572882268.db2.gz OXDUOJSLSYBLDS-VHSXEESVSA-N 0 0 184.279 2.561 10 0 AFAERN CCc1ccccc1[C@@H](O)CSC 308165412 572883267 /nfs/dbraw/zinc/88/32/67/572883267.db2.gz ZCDAVEJVFFRCDL-NSHDSACASA-N 0 0 196.315 2.645 10 0 AFAERN CCCC(=O)C=C([O-])c1ccsc1 50338413 572882299 /nfs/dbraw/zinc/88/22/99/572882299.db2.gz KBGVKXMIPCWWEI-UHFFFAOYSA-N 0 0 196.271 2.690 10 0 AFAERN CC[C@@H](O)[C@H](C)c1cccc(OC)c1 86166215 572882305 /nfs/dbraw/zinc/88/23/05/572882305.db2.gz AMABNKQHCQUMLL-BXKDBHETSA-N 0 0 194.274 2.570 10 0 AFAERN O=C1CCc2c(O)ccc3cccc1c23 75600426 572882339 /nfs/dbraw/zinc/88/23/39/572882339.db2.gz MHDUAASYNRLMRX-UHFFFAOYSA-N 0 0 198.221 2.674 10 0 AFAERN Oc1cccc2c3c(ccc12)CCCN3 75601273 572883262 /nfs/dbraw/zinc/88/32/62/572883262.db2.gz OBESSQOKMPNJNS-UHFFFAOYSA-N 0 0 199.253 2.904 10 0 AFAERN CC[C@H](O)[C@H](C)c1ccccc1OC 86166389 572882359 /nfs/dbraw/zinc/88/23/59/572882359.db2.gz GAWIYEZCJQZWAV-KOLCDFICSA-N 0 0 194.274 2.570 10 0 AFAERN CCC1(CC(=O)C(F)F)CCC1 307971949 572882360 /nfs/dbraw/zinc/88/23/60/572882360.db2.gz YPCISIFYDRHUMN-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN CC[C@H](O)[C@H](C)c1ccc(OC)cc1 86166542 572882427 /nfs/dbraw/zinc/88/24/27/572882427.db2.gz WBXMAHMKOVEUNZ-SKDRFNHKSA-N 0 0 194.274 2.570 10 0 AFAERN CC(C)[C@@H]1CNc2ccn(C)c2S1 75600396 572882429 /nfs/dbraw/zinc/88/24/29/572882429.db2.gz OHTVZOLYZKJNME-VIFPVBQESA-N 0 0 196.319 2.567 10 0 AFAERN CC(C)OCSc1cccc(N)c1 308160664 572883824 /nfs/dbraw/zinc/88/38/24/572883824.db2.gz WOYAFFYOKKSDFR-UHFFFAOYSA-N 0 0 197.303 2.743 10 0 AFAERN Nc1ccc2cc3c(nc2c1)CCCC3 75600785 572883351 /nfs/dbraw/zinc/88/33/51/572883351.db2.gz YYZGBXZJCUZEMU-UHFFFAOYSA-N 0 0 198.269 2.696 10 0 AFAERN CC[C@@H](F)CSCCCCOC 307972076 572882507 /nfs/dbraw/zinc/88/25/07/572882507.db2.gz HWPIULCKBNQZOR-SECBINFHSA-N 0 0 194.315 2.894 10 0 AFAERN Oc1ccc2cccc3c2c1[C@H](O)C=C3 75600430 572883885 /nfs/dbraw/zinc/88/38/85/572883885.db2.gz UKUKSWWSCQYPMU-SNVBAGLBSA-N 0 0 198.221 2.606 10 0 AFAERN CCSC[C@H](O)CC1(C)CCC1 307971989 572882581 /nfs/dbraw/zinc/88/25/81/572882581.db2.gz YSMJEJBATVQJPI-SECBINFHSA-N 0 0 188.336 2.681 10 0 AFAERN O=Cc1cc2c(c3ccccc13)OCC2 75600437 572882606 /nfs/dbraw/zinc/88/26/06/572882606.db2.gz VCZRGCIHKVXMFJ-UHFFFAOYSA-N 0 0 198.221 2.587 10 0 AFAERN C[C@@](O)(c1ccsc1)C(F)(F)F 50345225 572882686 /nfs/dbraw/zinc/88/26/86/572882686.db2.gz JVDYLWSQRUEJPQ-ZCFIWIBFSA-N 0 0 196.193 2.518 10 0 AFAERN Nc1c(C2CCC2)cc2ccccn12 75601042 572882755 /nfs/dbraw/zinc/88/27/55/572882755.db2.gz DTDMXDMILNCUPL-UHFFFAOYSA-N 0 0 186.258 2.789 10 0 AFAERN CCc1ccccc1[C@H](O)CSC 308165409 572882757 /nfs/dbraw/zinc/88/27/57/572882757.db2.gz ZCDAVEJVFFRCDL-LLVKDONJSA-N 0 0 196.315 2.645 10 0 AFAERN CC(=O)c1ocnc1-c1cccs1 75600530 572882790 /nfs/dbraw/zinc/88/27/90/572882790.db2.gz HDNUBXSBIIQGGE-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CC[C@@H](O)[C@H](C)c1ccccc1OC 86166392 572882886 /nfs/dbraw/zinc/88/28/86/572882886.db2.gz GAWIYEZCJQZWAV-MWLCHTKSSA-N 0 0 194.274 2.570 10 0 AFAERN CC[C@@H](O)[C@H](c1ccccc1)C1CC1 86166494 572882917 /nfs/dbraw/zinc/88/29/17/572882917.db2.gz KYDOLVCKVGVQOY-CHWSQXEVSA-N 0 0 190.286 2.951 10 0 AFAERN CCC(=O)[C@@H](C)c1cccc(OC)c1 86161710 572882985 /nfs/dbraw/zinc/88/29/85/572882985.db2.gz GOMICFXDZKVKCM-VIFPVBQESA-N 0 0 192.258 2.778 10 0 AFAERN CCCCCn1ccnc1SC 307972489 572883066 /nfs/dbraw/zinc/88/30/66/572883066.db2.gz HZLYGHMNSISOKZ-UHFFFAOYSA-N 0 0 184.308 2.795 10 0 AFAERN CC[C@H](O)[C@@H](c1ccccc1)C1CC1 86166488 572883077 /nfs/dbraw/zinc/88/30/77/572883077.db2.gz KYDOLVCKVGVQOY-STQMWFEESA-N 0 0 190.286 2.951 10 0 AFAERN CC(C)c1nc2c(s1)[C@H](O)CCC2 50330800 572883087 /nfs/dbraw/zinc/88/30/87/572883087.db2.gz XRXJFSIXAXGRGE-MRVPVSSYSA-N 0 0 197.303 2.636 10 0 AFAERN CNc1ccccc1-c1ccc(N)cc1 75600771 572883088 /nfs/dbraw/zinc/88/30/88/572883088.db2.gz DWPCMBPCCPYYRR-UHFFFAOYSA-N 0 0 198.269 2.978 10 0 AFAERN CCC[C@H]1C[C@H](C(=O)CC)CCO1 86161618 572883095 /nfs/dbraw/zinc/88/30/95/572883095.db2.gz OXDUOJSLSYBLDS-ZJUUUORDSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)c1oc(C2CCCC2)nc1C 77599999 572883096 /nfs/dbraw/zinc/88/30/96/572883096.db2.gz JAILWHVNPZOVHX-UHFFFAOYSA-N 0 0 193.246 2.843 10 0 AFAERN CCC1(CC(=O)CSC)CCC1 307972417 572883109 /nfs/dbraw/zinc/88/31/09/572883109.db2.gz YZIJAXUBYMDHNP-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CC[C@H](O)[C@@H](C)c1ccc(OC)cc1 86166538 572883114 /nfs/dbraw/zinc/88/31/14/572883114.db2.gz WBXMAHMKOVEUNZ-CABZTGNLSA-N 0 0 194.274 2.570 10 0 AFAERN Cc1cccc(Cc2ccc(O)cn2)c1 75601275 572883184 /nfs/dbraw/zinc/88/31/84/572883184.db2.gz BCKJJUVDRMHJTG-UHFFFAOYSA-N 0 0 199.253 2.686 10 0 AFAERN CCC[C@@H]1C[C@H](C(=O)C(C)C)CCO1 86167124 572883191 /nfs/dbraw/zinc/88/31/91/572883191.db2.gz SJIRSHLFEXCPQL-GHMZBOCLSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@H](c1ccncc1)c1ccccc1N 75600784 572883226 /nfs/dbraw/zinc/88/32/26/572883226.db2.gz HPQIXSWQJWFTJU-SNVBAGLBSA-N 0 0 198.269 2.816 10 0 AFAERN Oc1ccc2cccc3c2c1[C@@H](O)C=C3 75600428 572883280 /nfs/dbraw/zinc/88/32/80/572883280.db2.gz UKUKSWWSCQYPMU-JTQLQIEISA-N 0 0 198.221 2.606 10 0 AFAERN CCC(=O)[C@@H](C)c1ccccc1OC 86161531 572883320 /nfs/dbraw/zinc/88/33/20/572883320.db2.gz QSXVCRXXVJWXDV-VIFPVBQESA-N 0 0 192.258 2.778 10 0 AFAERN CC[C@@H](O)[C@H](C)c1ccc(OC)cc1 86166543 572883394 /nfs/dbraw/zinc/88/33/94/572883394.db2.gz WBXMAHMKOVEUNZ-BXKDBHETSA-N 0 0 194.274 2.570 10 0 AFAERN CC(C)CSCCCc1cn[nH]c1 308166190 572887124 /nfs/dbraw/zinc/88/71/24/572887124.db2.gz XRDKIWFMGFHSBR-UHFFFAOYSA-N 0 0 198.335 2.732 10 0 AFAERN CC[C@@H](O)[C@@H](C)c1cccc(OC)c1 86166212 572883432 /nfs/dbraw/zinc/88/34/32/572883432.db2.gz AMABNKQHCQUMLL-JOYOIKCWSA-N 0 0 194.274 2.570 10 0 AFAERN CCCc1cc(C=O)c2ccccc2n1 75601321 572883468 /nfs/dbraw/zinc/88/34/68/572883468.db2.gz VKKOEDMBVVLKRT-UHFFFAOYSA-N 0 0 199.253 3.000 10 0 AFAERN CC1=N[C@@H](C)c2ccccc21 196572077 572883478 /nfs/dbraw/zinc/88/34/78/572883478.db2.gz GRJIHCHWLWZVKN-ZETCQYMHSA-N 0 0 145.205 2.570 10 0 AFAERN Cc1cc(C)c2c(C=O)ncc(C)c2c1 75601293 572883507 /nfs/dbraw/zinc/88/35/07/572883507.db2.gz CJRPATUVPUEFMT-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN CC[C@@H](O)[C@@H](c1ccccc1)C1CC1 86166491 572883522 /nfs/dbraw/zinc/88/35/22/572883522.db2.gz KYDOLVCKVGVQOY-OLZOCXBDSA-N 0 0 190.286 2.951 10 0 AFAERN CCc1cc(Cl)c(O)c(C(C)=O)c1 75600980 572883641 /nfs/dbraw/zinc/88/36/41/572883641.db2.gz TYCROFXZLNLNIH-UHFFFAOYSA-N 0 0 198.649 2.811 10 0 AFAERN CC(C)OCSc1ccc(N)cc1 308165569 572883646 /nfs/dbraw/zinc/88/36/46/572883646.db2.gz ZGWHLIWCSGZSFO-UHFFFAOYSA-N 0 0 197.303 2.743 10 0 AFAERN CNc1ccccc1-c1ccccc1N 75600792 572883670 /nfs/dbraw/zinc/88/36/70/572883670.db2.gz HMOOZBVGXUGWCX-UHFFFAOYSA-N 0 0 198.269 2.978 10 0 AFAERN Cc1cc(=O)c(C)c(-c2ccccc2)[nH]1 75601272 572883673 /nfs/dbraw/zinc/88/36/73/572883673.db2.gz MQSLYFIPAMUZMV-UHFFFAOYSA-N 0 0 199.253 2.659 10 0 AFAERN CC(=O)c1ocnc1-c1ccccc1 75600486 572883677 /nfs/dbraw/zinc/88/36/77/572883677.db2.gz UABJCHSPTOWJSQ-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN CC(C)[C@H]1CNc2cn(C)cc2S1 75600434 572883693 /nfs/dbraw/zinc/88/36/93/572883693.db2.gz ALSXHBNFMBJQLJ-SECBINFHSA-N 0 0 196.319 2.567 10 0 AFAERN CC[C@H](O)[C@@H](C)c1cccc(OC)c1 86166210 572883732 /nfs/dbraw/zinc/88/37/32/572883732.db2.gz AMABNKQHCQUMLL-CABZTGNLSA-N 0 0 194.274 2.570 10 0 AFAERN CC[C@@H](O)[C@@H](C)c1ccc(OC)cc1 86166540 572883763 /nfs/dbraw/zinc/88/37/63/572883763.db2.gz WBXMAHMKOVEUNZ-JOYOIKCWSA-N 0 0 194.274 2.570 10 0 AFAERN C[C@H](c1ccccc1)c1cc[nH]c1C=O 75601306 572883825 /nfs/dbraw/zinc/88/38/25/572883825.db2.gz HSHDSBCAZFUNEW-SNVBAGLBSA-N 0 0 199.253 2.979 10 0 AFAERN C[C@@H](c1ccncc1)c1ccccc1N 75600780 572883849 /nfs/dbraw/zinc/88/38/49/572883849.db2.gz HPQIXSWQJWFTJU-JTQLQIEISA-N 0 0 198.269 2.816 10 0 AFAERN O=C(CC1CC1)c1ccc2ccccn12 75601061 572883906 /nfs/dbraw/zinc/88/39/06/572883906.db2.gz PLRQBTMMACDPJQ-UHFFFAOYSA-N 0 0 199.253 2.922 10 0 AFAERN CC(C)[C@H]1CNc2ccn(C)c2S1 75600398 572883909 /nfs/dbraw/zinc/88/39/09/572883909.db2.gz OHTVZOLYZKJNME-SECBINFHSA-N 0 0 196.319 2.567 10 0 AFAERN CCC1(C[C@@H](O)C2CC2)CCC1 307968181 572883928 /nfs/dbraw/zinc/88/39/28/572883928.db2.gz UNQYVLCXLJEDFB-SNVBAGLBSA-N 0 0 168.280 2.728 10 0 AFAERN Oc1cccc2c1OCc1ccccc1-2 75600433 572883978 /nfs/dbraw/zinc/88/39/78/572883978.db2.gz XPYUADJEEWMAGC-UHFFFAOYSA-N 0 0 198.221 2.952 10 0 AFAERN CC(C)[C@@H]1CNc2cn(C)cc2S1 75600432 572883982 /nfs/dbraw/zinc/88/39/82/572883982.db2.gz ALSXHBNFMBJQLJ-VIFPVBQESA-N 0 0 196.319 2.567 10 0 AFAERN Nc1c(-c2ccc[nH]2)cc2ccccn12 75600940 572883995 /nfs/dbraw/zinc/88/39/95/572883995.db2.gz IBDROVGMPKTBPT-UHFFFAOYSA-N 0 0 197.241 2.517 10 0 AFAERN O=C(c1ccc2ccccn12)C1CC1 75601104 572884126 /nfs/dbraw/zinc/88/41/26/572884126.db2.gz RQFTXWLXYAXUFB-UHFFFAOYSA-N 0 0 185.226 2.532 10 0 AFAERN CC1=C(/C=C\CO)C(C)(C)CC=C1 308165050 572884163 /nfs/dbraw/zinc/88/41/63/572884163.db2.gz QEMUJQRLPOBGFR-ALCCZGGFSA-N 0 0 178.275 2.838 10 0 AFAERN Nc1c(C2CCC2)cn2ccccc12 75600921 572884240 /nfs/dbraw/zinc/88/42/40/572884240.db2.gz MKCSHRKLHWGCMT-UHFFFAOYSA-N 0 0 186.258 2.789 10 0 AFAERN CC1=CCCC(C)(C)[C@H]1CCO 196571269 572884270 /nfs/dbraw/zinc/88/42/70/572884270.db2.gz NJUGWDZDBIUHMX-JTQLQIEISA-N 0 0 168.280 2.751 10 0 AFAERN CC[C@@H](c1ccccc1)[C@H](C)CO 308165434 572884364 /nfs/dbraw/zinc/88/43/64/572884364.db2.gz QLOWHXCGZMZJDV-ZYHUDNBSSA-N 0 0 178.275 2.809 10 0 AFAERN C[C@@H](c1ccccc1)c1cc[nH]c1C=O 75601305 572884572 /nfs/dbraw/zinc/88/45/72/572884572.db2.gz HSHDSBCAZFUNEW-JTQLQIEISA-N 0 0 199.253 2.979 10 0 AFAERN Cc1ccncc1Nc1ccccc1N 75601346 572884798 /nfs/dbraw/zinc/88/47/98/572884798.db2.gz IXDOHCCGVDWPJB-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CC(C)C(C)(C)SCC(C)(C)O 307969078 572884811 /nfs/dbraw/zinc/88/48/11/572884811.db2.gz VVZKVCYSBFQTLS-UHFFFAOYSA-N 0 0 190.352 2.925 10 0 AFAERN CC(C)C(=O)c1ccc2ccccn12 75601101 572884870 /nfs/dbraw/zinc/88/48/70/572884870.db2.gz NHPXSTZNATXSET-UHFFFAOYSA-N 0 0 187.242 2.778 10 0 AFAERN C[C@@H](c1ccccc1)c1ccc(C=O)[nH]1 75601308 572884879 /nfs/dbraw/zinc/88/48/79/572884879.db2.gz VQTBBOLPOLGFIQ-JTQLQIEISA-N 0 0 199.253 2.979 10 0 AFAERN Nc1c(-c2ccco2)cn2ccccc12 75600871 572884906 /nfs/dbraw/zinc/88/49/06/572884906.db2.gz ORTQZGVVLZXODZ-UHFFFAOYSA-N 0 0 198.225 2.782 10 0 AFAERN O=Cc1ccncc1Oc1ccccc1 75601085 572884927 /nfs/dbraw/zinc/88/49/27/572884927.db2.gz ILHCRCYVGWCFOF-UHFFFAOYSA-N 0 0 199.209 2.686 10 0 AFAERN CCC(CC)[N@H+](CCF)C1CC1 307968340 572884931 /nfs/dbraw/zinc/88/49/31/572884931.db2.gz DYVXBCYXYBOYMV-UHFFFAOYSA-N 0 0 173.275 2.609 10 0 AFAERN Nc1c(-c2ccco2)cc2ccccn12 75601032 572884936 /nfs/dbraw/zinc/88/49/36/572884936.db2.gz HJAICTIYUXGNOW-UHFFFAOYSA-N 0 0 198.225 2.782 10 0 AFAERN C[C@H](c1ccccc1)c1ccc(C=O)[nH]1 75601310 572884946 /nfs/dbraw/zinc/88/49/46/572884946.db2.gz VQTBBOLPOLGFIQ-SNVBAGLBSA-N 0 0 199.253 2.979 10 0 AFAERN CC(C)(C)c1cn2ccccc2c1N 75600914 572884986 /nfs/dbraw/zinc/88/49/86/572884986.db2.gz RGBXPDCWCBKEJT-UHFFFAOYSA-N 0 0 188.274 2.819 10 0 AFAERN Cc1cc(C=O)c(-c2ccccc2)n1C 75601287 572885055 /nfs/dbraw/zinc/88/50/55/572885055.db2.gz NOTCZPCANXEKCY-UHFFFAOYSA-N 0 0 199.253 2.813 10 0 AFAERN CCC/C=C\C[C@H](C)CCO 116670824 572885098 /nfs/dbraw/zinc/88/50/98/572885098.db2.gz ROENCFLSAIKESK-OMMCCPJFSA-N 0 0 156.269 2.751 10 0 AFAERN Cc1cc(Cl)cc2c1C[C@@H](C)[C@@H]2O 235392053 572885107 /nfs/dbraw/zinc/88/51/07/572885107.db2.gz ZMBNRAKWHQZQBY-HQJQHLMTSA-N 0 0 196.677 2.874 10 0 AFAERN CCCCC[C@@H](O)[C@@H]1CCC=CO1 308166699 572885266 /nfs/dbraw/zinc/88/52/66/572885266.db2.gz ROXDIFVBUKCUJT-MNOVXSKESA-N 0 0 184.279 2.620 10 0 AFAERN CCC/C=C\C[C@@H](C)CCO 116670822 572885342 /nfs/dbraw/zinc/88/53/42/572885342.db2.gz ROENCFLSAIKESK-WWQCOOJYSA-N 0 0 156.269 2.751 10 0 AFAERN C/C=C1/C(C(C)(C)C)=C(C)[C@H]1CO 308166607 572885561 /nfs/dbraw/zinc/88/55/61/572885561.db2.gz RLMFOZHFAJHOSC-OLKPEBQYSA-N 0 0 180.291 2.917 10 0 AFAERN CCC1(C[C@H](O)C2CC2)CCC1 307968180 572885676 /nfs/dbraw/zinc/88/56/76/572885676.db2.gz UNQYVLCXLJEDFB-JTQLQIEISA-N 0 0 168.280 2.728 10 0 AFAERN CCC[C@@H]1C[C@@H](C(=O)C(C)C)CCO1 86167128 572885866 /nfs/dbraw/zinc/88/58/66/572885866.db2.gz SJIRSHLFEXCPQL-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN CNc1cc(-c2ccccc2)sn1 196571551 572885938 /nfs/dbraw/zinc/88/59/38/572885938.db2.gz IZKKCLUZTFSMBW-UHFFFAOYSA-N 0 0 190.271 2.852 10 0 AFAERN Oc1ccc2c(c1)NCC21CCCC1 116671373 572886121 /nfs/dbraw/zinc/88/61/21/572886121.db2.gz IDTDMFNBSATMCB-UHFFFAOYSA-N 0 0 189.258 2.630 10 0 AFAERN C/C=C1/C(C(C)(C)C)=C(C)[C@@H]1CO 308166608 572886195 /nfs/dbraw/zinc/88/61/95/572886195.db2.gz RLMFOZHFAJHOSC-ZKXNXJMVSA-N 0 0 180.291 2.917 10 0 AFAERN CCCCN1CCC[C@@H]1C(F)F 307968573 572886300 /nfs/dbraw/zinc/88/63/00/572886300.db2.gz FBZZXOQXMJZICP-MRVPVSSYSA-N 0 0 177.238 2.516 10 0 AFAERN CCC[C@H]1C[C@@H](C(=O)C(C)C)CCO1 86167131 572886660 /nfs/dbraw/zinc/88/66/60/572886660.db2.gz SJIRSHLFEXCPQL-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)OCCCc1ccsc1 308167604 572886661 /nfs/dbraw/zinc/88/66/61/572886661.db2.gz AFLOWKJNQTUDAM-UHFFFAOYSA-N 0 0 198.287 2.634 10 0 AFAERN CCCC[C@H]1C(=O)Nc2ccccc21 196571503 572886879 /nfs/dbraw/zinc/88/68/79/572886879.db2.gz SHSZWOAOHGHXFE-SNVBAGLBSA-N 0 0 189.258 2.913 10 0 AFAERN CCCC[C@@H]1C(=O)Nc2ccccc21 196571510 572886983 /nfs/dbraw/zinc/88/69/83/572886983.db2.gz SHSZWOAOHGHXFE-JTQLQIEISA-N 0 0 189.258 2.913 10 0 AFAERN CC/C=C(\C)[C@H](O)c1ccc(C)o1 308166735 572886993 /nfs/dbraw/zinc/88/69/93/572886993.db2.gz RQIZHVDRBNKXJL-BWNDKRECSA-N 0 0 180.247 2.978 10 0 AFAERN CC/C=C(\C)[C@@H](O)c1ccc(C)o1 308166731 572887079 /nfs/dbraw/zinc/88/70/79/572887079.db2.gz RQIZHVDRBNKXJL-AYLMVEPYSA-N 0 0 180.247 2.978 10 0 AFAERN CCCCC[C@H](O)[C@@H]1CCC=CO1 308166703 572887326 /nfs/dbraw/zinc/88/73/26/572887326.db2.gz ROXDIFVBUKCUJT-QWRGUYRKSA-N 0 0 184.279 2.620 10 0 AFAERN CCCC[C@@]1(O)C[C@H]1CCC 86202789 572887490 /nfs/dbraw/zinc/88/74/90/572887490.db2.gz FHCFDDSOVWYOED-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)CC(C)(C)C 86203282 572887549 /nfs/dbraw/zinc/88/75/49/572887549.db2.gz WUKGJQKHARARFC-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC/C(=C\c1ccc(F)c(C)c1)CO 86209047 572887562 /nfs/dbraw/zinc/88/75/62/572887562.db2.gz RQMPKJRVWALDHJ-JXMROGBWSA-N 0 0 194.249 2.920 10 0 AFAERN CC/C(=C\c1c(F)cccc1F)CO 86209234 572887583 /nfs/dbraw/zinc/88/75/83/572887583.db2.gz JCJGAEOEGVJQJP-SOFGYWHQSA-N 0 0 198.212 2.751 10 0 AFAERN C/C=C(/C)C(=O)OCC=C1CCC1 308167651 572887589 /nfs/dbraw/zinc/88/75/89/572887589.db2.gz AFQXNBQTUZBCKX-OQFOIZHKSA-N 0 0 180.247 2.606 10 0 AFAERN C[C@H]1C[C@]1(O)CCCc1cccs1 86196757 572887655 /nfs/dbraw/zinc/88/76/55/572887655.db2.gz HQOIOROSQSDEBN-GXSJLCMTSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@@H]1C[C@]1(O)CCCc1cccs1 86196756 572887701 /nfs/dbraw/zinc/88/77/01/572887701.db2.gz HQOIOROSQSDEBN-MWLCHTKSSA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@@H]1C[C@]1(O)C(CC)CC 86203036 572887765 /nfs/dbraw/zinc/88/77/65/572887765.db2.gz QDFOMMQJXMJUII-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H]1C[C@@]1(O)CC(C)(C)C 86203285 572887845 /nfs/dbraw/zinc/88/78/45/572887845.db2.gz WUKGJQKHARARFC-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H]1C[C@]1(O)CC(C)(C)C 86203279 572887885 /nfs/dbraw/zinc/88/78/85/572887885.db2.gz WUKGJQKHARARFC-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN C/C(=C\Cl)COc1cccnc1 307977988 572887888 /nfs/dbraw/zinc/88/78/88/572887888.db2.gz KEWIODDNUYOSHT-VMPITWQZSA-N 0 0 183.638 2.603 10 0 AFAERN CC/C(=C\c1ccc(C)c(F)c1)CO 86208984 572887920 /nfs/dbraw/zinc/88/79/20/572887920.db2.gz IRLKHPMSHOEBHX-UXBLZVDNSA-N 0 0 194.249 2.920 10 0 AFAERN CC(C)=C(F)C(=O)OC/C=C\Cl 307972585 572887931 /nfs/dbraw/zinc/88/79/31/572887931.db2.gz ZEHWCWDTLGEETR-ARJAWSKDSA-N 0 0 192.617 2.546 10 0 AFAERN CC(C)=C(F)C(=O)OC/C=C/Cl 307972586 572887940 /nfs/dbraw/zinc/88/79/40/572887940.db2.gz ZEHWCWDTLGEETR-ONEGZZNKSA-N 0 0 192.617 2.546 10 0 AFAERN CCC[C@@H]1C[C@]1(O)Cc1ccsc1 86202555 572887951 /nfs/dbraw/zinc/88/79/51/572887951.db2.gz LNLSEHRZVZBBJS-GHMZBOCLSA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@H]1C[C@]1(O)Cc1ccsc1 86202557 572888008 /nfs/dbraw/zinc/88/80/08/572888008.db2.gz LNLSEHRZVZBBJS-WDEREUQCSA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)CCC(C)C 86203132 572888104 /nfs/dbraw/zinc/88/81/04/572888104.db2.gz SLSVRHVUOOXSJC-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1ccc(CC)o1 86202726 572888110 /nfs/dbraw/zinc/88/81/10/572888110.db2.gz AFOIBDVSYBDLKT-SKDRFNHKSA-N 0 0 194.274 2.850 10 0 AFAERN CCC[C@@H]1C[C@]1(O)CCC(C)C 86203128 572888116 /nfs/dbraw/zinc/88/81/16/572888116.db2.gz SLSVRHVUOOXSJC-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H]1C[C@@]1(O)CCC(C)C 86203135 572888134 /nfs/dbraw/zinc/88/81/34/572888134.db2.gz SLSVRHVUOOXSJC-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CC/C(=C\c1cc(F)ccc1F)CO 86208965 572888215 /nfs/dbraw/zinc/88/82/15/572888215.db2.gz YGELRZZKJFGYAC-VMPITWQZSA-N 0 0 198.212 2.751 10 0 AFAERN CCC[C@H]1C[C@]1(O)CCc1ccco1 86202520 572888244 /nfs/dbraw/zinc/88/82/44/572888244.db2.gz GEXHPCOLDNGGIA-CMPLNLGQSA-N 0 0 194.274 2.763 10 0 AFAERN CC[C@@H]1C[C@@]1(O)CCc1ccccc1 86200573 572888290 /nfs/dbraw/zinc/88/82/90/572888290.db2.gz SIRRARPTIBRFFF-OLZOCXBDSA-N 0 0 190.286 2.780 10 0 AFAERN CC(C)/C(=C\c1ccc(F)cc1)CO 86209426 572888305 /nfs/dbraw/zinc/88/83/05/572888305.db2.gz DHIWKAVLOHSLLH-XFFZJAGNSA-N 0 0 194.249 2.857 10 0 AFAERN CC/C(=C\c1ccccc1C)CO 86209084 572888320 /nfs/dbraw/zinc/88/83/20/572888320.db2.gz DSOACBOSUJGDBY-DHZHZOJOSA-N 0 0 176.259 2.781 10 0 AFAERN CCCC[C@H](CC)[C@]1(O)C[C@@H]1C 86197333 572888435 /nfs/dbraw/zinc/88/84/35/572888435.db2.gz BNXYAMZQJIDLAS-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H]1C[C@]1(O)CCc1ccco1 86202518 572888447 /nfs/dbraw/zinc/88/84/47/572888447.db2.gz GEXHPCOLDNGGIA-ZYHUDNBSSA-N 0 0 194.274 2.763 10 0 AFAERN CCC/C=C/CCn1cccn1 307977918 572888492 /nfs/dbraw/zinc/88/84/92/572888492.db2.gz MPZQIFIQHHCFRF-SNAWJCMRSA-N 0 0 164.252 2.630 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)Cc1ccccc1 86203211 572888525 /nfs/dbraw/zinc/88/85/25/572888525.db2.gz RDSKCCPWVXIPRK-OLZOCXBDSA-N 0 0 190.286 2.780 10 0 AFAERN CCCCC[C@]1(O)C[C@@H]1CC 86200026 572888975 /nfs/dbraw/zinc/88/89/75/572888975.db2.gz UEEXIXWXYGONOT-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CC/C(=C\c1cccc(F)c1F)CO 86209245 572888586 /nfs/dbraw/zinc/88/85/86/572888586.db2.gz XUHLNVYMWLWXNG-SOFGYWHQSA-N 0 0 198.212 2.751 10 0 AFAERN CCn1cccc1/C=C(/CO)C(C)C 86209383 572888592 /nfs/dbraw/zinc/88/85/92/572888592.db2.gz KVWOOBVZQOHWDR-FLIBITNWSA-N 0 0 193.290 2.540 10 0 AFAERN CCC/C=C\CCn1cccn1 307977917 572888602 /nfs/dbraw/zinc/88/86/02/572888602.db2.gz MPZQIFIQHHCFRF-PLNGDYQASA-N 0 0 164.252 2.630 10 0 AFAERN CCC[C@H]1C[C@]1(O)C(C)(C)CC 86203407 572888659 /nfs/dbraw/zinc/88/86/59/572888659.db2.gz FHUOFFMTPYFYGI-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1C[C@]1(O)CCc1ccccc1 86200570 572888671 /nfs/dbraw/zinc/88/86/71/572888671.db2.gz SIRRARPTIBRFFF-CHWSQXEVSA-N 0 0 190.286 2.780 10 0 AFAERN CCC[C@H]1C[C@]1(O)CCC(C)C 86203130 572888722 /nfs/dbraw/zinc/88/87/22/572888722.db2.gz SLSVRHVUOOXSJC-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1ccc(CC)o1 86202728 572888807 /nfs/dbraw/zinc/88/88/07/572888807.db2.gz AFOIBDVSYBDLKT-CABZTGNLSA-N 0 0 194.274 2.850 10 0 AFAERN CCCCn1ccc(C2CC2)n1 307977873 572888819 /nfs/dbraw/zinc/88/88/19/572888819.db2.gz MODMBAVCXITRPA-UHFFFAOYSA-N 0 0 164.252 2.561 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1ccc(CC)o1 86202724 572888852 /nfs/dbraw/zinc/88/88/52/572888852.db2.gz AFOIBDVSYBDLKT-JOYOIKCWSA-N 0 0 194.274 2.850 10 0 AFAERN C[C@H]1C[C@@]1(O)CCCc1cccs1 86196759 572888856 /nfs/dbraw/zinc/88/88/56/572888856.db2.gz HQOIOROSQSDEBN-ONGXEEELSA-N 0 0 196.315 2.842 10 0 AFAERN C=C/C(C)=C/c1ccccc1CO 308170057 572888863 /nfs/dbraw/zinc/88/88/63/572888863.db2.gz USHPGQZONQQEGO-CSKARUKUSA-N 0 0 174.243 2.768 10 0 AFAERN CC/C(=C\c1ccc(F)c(F)c1)CO 86209236 572888865 /nfs/dbraw/zinc/88/88/65/572888865.db2.gz HUOVSWWLBKNRIZ-VMPITWQZSA-N 0 0 198.212 2.751 10 0 AFAERN CCCCC(=O)O[C@@H](C)C1CC1 307970423 572888877 /nfs/dbraw/zinc/88/88/77/572888877.db2.gz GSYRAEGEOCQONA-QMMMGPOBSA-N 0 0 170.252 2.518 10 0 AFAERN CCCC[C@]1(O)C[C@H]1CCC 86202787 572888924 /nfs/dbraw/zinc/88/89/24/572888924.db2.gz FHCFDDSOVWYOED-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN CCCCN(CCC(C)C)OC 307977896 572889043 /nfs/dbraw/zinc/88/90/43/572889043.db2.gz MPFYVSLQXVRPJU-UHFFFAOYSA-N 0 0 173.300 2.696 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)Cc1ccsc1 86202558 572889090 /nfs/dbraw/zinc/88/90/90/572889090.db2.gz LNLSEHRZVZBBJS-MNOVXSKESA-N 0 0 196.315 2.842 10 0 AFAERN CC/C(=C\c1ccc(F)cc1C)CO 86209198 572889215 /nfs/dbraw/zinc/88/92/15/572889215.db2.gz QWILOUISWAJLLF-JXMROGBWSA-N 0 0 194.249 2.920 10 0 AFAERN CCC[C@H](C)[C@@]1(O)C[C@@H]1CCC 86202858 572889216 /nfs/dbraw/zinc/88/92/16/572889216.db2.gz ORYIWGDQOYDJGH-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](C)[C@@]1(O)C[C@H]1CCC 86202856 572889222 /nfs/dbraw/zinc/88/92/22/572889222.db2.gz ORYIWGDQOYDJGH-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)CCc1ccco1 86202522 572889235 /nfs/dbraw/zinc/88/92/35/572889235.db2.gz GEXHPCOLDNGGIA-PWSUYJOCSA-N 0 0 194.274 2.763 10 0 AFAERN CCCC[C@@]1(O)C[C@@H]1CCC 86202786 572889253 /nfs/dbraw/zinc/88/92/53/572889253.db2.gz FHCFDDSOVWYOED-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)CCC(F)(F)F 86202940 572889263 /nfs/dbraw/zinc/88/92/63/572889263.db2.gz ZFKWSEWMZMNALL-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN CCC[C@H](C)[C@]1(O)C[C@H]1CCC 86202860 572889289 /nfs/dbraw/zinc/88/92/89/572889289.db2.gz ORYIWGDQOYDJGH-HBNTYKKESA-N 0 0 170.296 2.974 10 0 AFAERN CCCn1ccc(/C=C(/CC)CO)c1 86209150 572889295 /nfs/dbraw/zinc/88/92/95/572889295.db2.gz FNYSGZNAVRDTTI-FLIBITNWSA-N 0 0 193.290 2.684 10 0 AFAERN CCCn1cccc1/C=C(/CC)CO 86209282 572889350 /nfs/dbraw/zinc/88/93/50/572889350.db2.gz RPVGZHQSMGSCAT-LUAWRHEFSA-N 0 0 193.290 2.684 10 0 AFAERN CCCC(=O)OC[C@H]1CC=CCC1 308169916 572889362 /nfs/dbraw/zinc/88/93/62/572889362.db2.gz AZOUFFXPOVDKCT-JTQLQIEISA-N 0 0 182.263 2.686 10 0 AFAERN CCC[C@@H]1C[C@]1(O)[C@@H](C)C(C)C 86203863 572889415 /nfs/dbraw/zinc/88/94/15/572889415.db2.gz MEALHEYLCYSSII-AXFHLTTASA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C[C@@]1(O)CCCc1cccs1 86196758 572889425 /nfs/dbraw/zinc/88/94/25/572889425.db2.gz HQOIOROSQSDEBN-KOLCDFICSA-N 0 0 196.315 2.842 10 0 AFAERN CC/C(=C/C(CC)CC)CO 86209189 572889434 /nfs/dbraw/zinc/88/94/34/572889434.db2.gz WRBNCWYNOYUFSN-YFHOEESVSA-N 0 0 156.269 2.751 10 0 AFAERN C[C@H]1C[C@]1(O)CCCc1ccccc1 86197784 572889477 /nfs/dbraw/zinc/88/94/77/572889477.db2.gz NPQFXVDOHFRLSR-WCQYABFASA-N 0 0 190.286 2.780 10 0 AFAERN CCC[C@H]1C[C@@]1(O)Cc1cccs1 86203259 572889484 /nfs/dbraw/zinc/88/94/84/572889484.db2.gz LHNLBLOVCHAURC-GXSJLCMTSA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@H]1C[C@@]1(O)CCC(F)(F)F 86202942 572889510 /nfs/dbraw/zinc/88/95/10/572889510.db2.gz ZFKWSEWMZMNALL-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN CCC[C@@H]1C[C@]1(O)CCC(F)(F)F 86202933 572889526 /nfs/dbraw/zinc/88/95/26/572889526.db2.gz ZFKWSEWMZMNALL-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN CCC[C@@H]1C[C@]1(O)Cc1cccs1 86203254 572889532 /nfs/dbraw/zinc/88/95/32/572889532.db2.gz LHNLBLOVCHAURC-KOLCDFICSA-N 0 0 196.315 2.842 10 0 AFAERN CC/C(=C\c1ccc(C)cc1)CO 86209131 572889565 /nfs/dbraw/zinc/88/95/65/572889565.db2.gz YDTSIWJICFBTQM-DHZHZOJOSA-N 0 0 176.259 2.781 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)Cc1cccs1 86203257 572889608 /nfs/dbraw/zinc/88/96/08/572889608.db2.gz LHNLBLOVCHAURC-MWLCHTKSSA-N 0 0 196.315 2.842 10 0 AFAERN CCCC[C@H](CC)[C@@]1(O)C[C@@H]1C 86197337 572889625 /nfs/dbraw/zinc/88/96/25/572889625.db2.gz BNXYAMZQJIDLAS-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)[C@@H](C)C(C)C 86203868 572889636 /nfs/dbraw/zinc/88/96/36/572889636.db2.gz MEALHEYLCYSSII-HBNTYKKESA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@H]1C[C@@]1(O)Cc1ccccc1 86203214 572889997 /nfs/dbraw/zinc/88/99/97/572889997.db2.gz RDSKCCPWVXIPRK-STQMWFEESA-N 0 0 190.286 2.780 10 0 AFAERN CC/C(=C\c1cccc(C)c1)CO 86209225 572889733 /nfs/dbraw/zinc/88/97/33/572889733.db2.gz PUNCTKNTJMOQCK-DHZHZOJOSA-N 0 0 176.259 2.781 10 0 AFAERN CCC[C@H](C)[C@]1(O)C[C@@H]1CCC 86202862 572889754 /nfs/dbraw/zinc/88/97/54/572889754.db2.gz ORYIWGDQOYDJGH-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H]1C[C@]1(O)CCC(F)(F)F 86202937 572889765 /nfs/dbraw/zinc/88/97/65/572889765.db2.gz ZFKWSEWMZMNALL-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN CCCCC[C@@]1(O)C[C@H]1CC 86200033 572889807 /nfs/dbraw/zinc/88/98/07/572889807.db2.gz UEEXIXWXYGONOT-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CC/C(=C\c1ccc(F)cc1)CO 86209081 572889819 /nfs/dbraw/zinc/88/98/19/572889819.db2.gz DPHCZDXUVMUYID-VQHVLOKHSA-N 0 0 180.222 2.611 10 0 AFAERN CCC[C@H]1C[C@]1(O)Cc1cccs1 86203256 572889834 /nfs/dbraw/zinc/88/98/34/572889834.db2.gz LHNLBLOVCHAURC-ONGXEEELSA-N 0 0 196.315 2.842 10 0 AFAERN CCC[C@H]1C[C@]1(O)Cc1ccccc1 86203208 572889839 /nfs/dbraw/zinc/88/98/39/572889839.db2.gz RDSKCCPWVXIPRK-QWHCGFSZSA-N 0 0 190.286 2.780 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1ccc(CC)o1 86202721 572889843 /nfs/dbraw/zinc/88/98/43/572889843.db2.gz AFOIBDVSYBDLKT-BXKDBHETSA-N 0 0 194.274 2.850 10 0 AFAERN C[C@H]1C[C@@]1(O)CCCc1ccccc1 86197788 572889848 /nfs/dbraw/zinc/88/98/48/572889848.db2.gz NPQFXVDOHFRLSR-AAEUAGOBSA-N 0 0 190.286 2.780 10 0 AFAERN C/C=C(\C)C[C@H](C)C[C@@H](C)CO 214798083 572898279 /nfs/dbraw/zinc/89/82/79/572898279.db2.gz PNPKQYCDHWLJKO-WJHWTWHCSA-N 0 0 170.296 2.997 10 0 AFAERN CC[C@H]1C[C@]1(O)CCc1ccccc1 86200572 572889912 /nfs/dbraw/zinc/88/99/12/572889912.db2.gz SIRRARPTIBRFFF-QWHCGFSZSA-N 0 0 190.286 2.780 10 0 AFAERN CCC[C@H]1C[C@@]1(O)CCc1ccco1 86202524 572889968 /nfs/dbraw/zinc/88/99/68/572889968.db2.gz GEXHPCOLDNGGIA-JQWIXIFHSA-N 0 0 194.274 2.763 10 0 AFAERN CC(C)C(C(C)C)[C@H](O)C(F)(F)F 308168560 572890280 /nfs/dbraw/zinc/89/02/80/572890280.db2.gz BNSYASPNTLGEEJ-QMMMGPOBSA-N 0 0 198.228 2.838 10 0 AFAERN CC(=O)O[C@H](C(C)(C)C)C(F)(F)F 308169180 572890301 /nfs/dbraw/zinc/89/03/01/572890301.db2.gz YVNTZYVNJYXXGF-ZCFIWIBFSA-N 0 0 198.184 2.527 10 0 AFAERN C[C@@H](O)/C=C/C1=CC=CC=CC=C1 308169079 572890322 /nfs/dbraw/zinc/89/03/22/572890322.db2.gz UCZDWIOXMZTIBR-ORHKYLODSA-N 0 0 174.243 2.532 10 0 AFAERN CC[C@@H](C)C[C@@H](C)/C=C/CCO 307978036 572890367 /nfs/dbraw/zinc/89/03/67/572890367.db2.gz KOJIXHWEDIEXSB-HQVCXTMKSA-N 0 0 170.296 2.997 10 0 AFAERN CCn1ccc(/C=C(/CO)C(C)C)c1 86209527 572890444 /nfs/dbraw/zinc/89/04/44/572890444.db2.gz XOAWFDHGQBQTMM-GHXNOFRVSA-N 0 0 193.290 2.540 10 0 AFAERN CCC(CC)[C@H]1CNc2ccoc2N1 75593981 572890562 /nfs/dbraw/zinc/89/05/62/572890562.db2.gz ZAXRNONJWUFWEL-SNVBAGLBSA-N 0 0 194.278 2.922 10 0 AFAERN C[C@@H]1CN(C)c2sccc2S1 75592995 572890595 /nfs/dbraw/zinc/89/05/95/572890595.db2.gz NYKSITOXDMVYIO-ZCFIWIBFSA-N 0 0 185.317 2.679 10 0 AFAERN CC(=O)c1oc(C)cc1C1CC1 75589017 572890605 /nfs/dbraw/zinc/89/06/05/572890605.db2.gz FBTLSTATSGXBLC-UHFFFAOYSA-N 0 0 164.204 2.668 10 0 AFAERN Cc1ccc(/C=C(/CO)C(C)C)o1 86209498 572890611 /nfs/dbraw/zinc/89/06/11/572890611.db2.gz NWKKXGRVPGCHFW-POHAHGRESA-N 0 0 180.247 2.620 10 0 AFAERN CC1(C)Sc2cscc2NC1=O 75592352 572890721 /nfs/dbraw/zinc/89/07/21/572890721.db2.gz VFTVSTWGWWYFLB-UHFFFAOYSA-N 0 0 199.300 2.571 10 0 AFAERN C/C(=C\c1ccc2ncccc2c1)CO 86210316 572890722 /nfs/dbraw/zinc/89/07/22/572890722.db2.gz VXERNUNZLPUNOU-JXMROGBWSA-N 0 0 199.253 2.630 10 0 AFAERN CC(C)[C@@H](O)/C=C\C[Si](C)(C)C 307978910 572890729 /nfs/dbraw/zinc/89/07/29/572890729.db2.gz LWCUKLXRRLJPSV-GFVADAIESA-N 0 0 186.371 2.898 10 0 AFAERN CC(C)/C(=C\c1cccc(F)c1)CO 86209507 572890755 /nfs/dbraw/zinc/89/07/55/572890755.db2.gz IOAXNKWNTSFXFY-WDZFZDKYSA-N 0 0 194.249 2.857 10 0 AFAERN C[C@H]1CN(C)c2sccc2S1 75592997 572890934 /nfs/dbraw/zinc/89/09/34/572890934.db2.gz NYKSITOXDMVYIO-LURJTMIESA-N 0 0 185.317 2.679 10 0 AFAERN C/C(CO)=C(\C)C1CCCCC1 307978342 572890955 /nfs/dbraw/zinc/89/09/55/572890955.db2.gz KXFLXHARLATRNQ-KTKRTIGZSA-N 0 0 168.280 2.895 10 0 AFAERN CC[C@H](F)C[N@H+](CC)C1CCC1 307978136 572891023 /nfs/dbraw/zinc/89/10/23/572891023.db2.gz MUYVZWUPVAOQES-VIFPVBQESA-N 0 0 173.275 2.609 10 0 AFAERN c1cc2c(o1)NC1(CCCCC1)CN2 75594095 572891092 /nfs/dbraw/zinc/89/10/92/572891092.db2.gz NDDOGSODXWEPSA-UHFFFAOYSA-N 0 0 192.262 2.820 10 0 AFAERN CC(C)[C@H]1CN(C)c2sccc2O1 75592480 572891105 /nfs/dbraw/zinc/89/11/05/572891105.db2.gz BIZBOBSFYXDQSC-SECBINFHSA-N 0 0 197.303 2.601 10 0 AFAERN CCC(/C=C(/CO)C(C)C)CC 86209513 572891113 /nfs/dbraw/zinc/89/11/13/572891113.db2.gz UUSKGDMTXLEKHQ-XFFZJAGNSA-N 0 0 170.296 2.997 10 0 AFAERN CC(C)[C@H]1CNc2cscc2N1 75591870 572891132 /nfs/dbraw/zinc/89/11/32/572891132.db2.gz UCRIBKJRGUAXNW-SSDOTTSWSA-N 0 0 182.292 2.610 10 0 AFAERN CC(C)c1c(N)sc2c1C(=O)CC2 75626983 572891145 /nfs/dbraw/zinc/89/11/45/572891145.db2.gz VSSLRMKBROEISZ-UHFFFAOYSA-N 0 0 195.287 2.583 10 0 AFAERN C[C@@H]1CNc2sccc2S1 75592732 572891195 /nfs/dbraw/zinc/89/11/95/572891195.db2.gz ZHGVLUQXBKZJFU-RXMQYKEDSA-N 0 0 171.290 2.654 10 0 AFAERN CC(C)SCC[C@H](C)C[C@H](C)O 307972655 572891234 /nfs/dbraw/zinc/89/12/34/572891234.db2.gz ZKCBFYBPNCBSQS-UWVGGRQHSA-N 0 0 190.352 2.925 10 0 AFAERN CC/C=C/C(=O)OC(C)(C)CC 307978939 572891242 /nfs/dbraw/zinc/89/12/42/572891242.db2.gz NJJOFUHBVSTSOX-BQYQJAHWSA-N 0 0 170.252 2.684 10 0 AFAERN CC(C)[C@@H]1CN(C)c2sccc2O1 75592478 572891287 /nfs/dbraw/zinc/89/12/87/572891287.db2.gz BIZBOBSFYXDQSC-VIFPVBQESA-N 0 0 197.303 2.601 10 0 AFAERN C/C(=C\c1cccc2cccnc12)CO 86210131 572891291 /nfs/dbraw/zinc/89/12/91/572891291.db2.gz NOZOVMCSRBUZMT-CSKARUKUSA-N 0 0 199.253 2.630 10 0 AFAERN CC(C)[C@@H]1CN(C)c2sccc2N1 75593054 572891327 /nfs/dbraw/zinc/89/13/27/572891327.db2.gz OGTTZKZKVOPILU-VIFPVBQESA-N 0 0 196.319 2.634 10 0 AFAERN C[C@H]1CNc2ccsc2S1 75592685 572891332 /nfs/dbraw/zinc/89/13/32/572891332.db2.gz KZVIBGIBWHEMBF-YFKPBYRVSA-N 0 0 171.290 2.654 10 0 AFAERN CC(C)[C@@H]1CN(C)c2ccsc2O1 75592434 572891666 /nfs/dbraw/zinc/89/16/66/572891666.db2.gz AJPRLFXRNJEHIU-VIFPVBQESA-N 0 0 197.303 2.601 10 0 AFAERN C[C@@H]1CN(C)c2cscc2S1 75593086 572891566 /nfs/dbraw/zinc/89/15/66/572891566.db2.gz IINNFZZEXUJCQX-ZCFIWIBFSA-N 0 0 185.317 2.679 10 0 AFAERN CC(C)[C@H]1CN(C)c2ccsc2O1 75592438 572891600 /nfs/dbraw/zinc/89/16/00/572891600.db2.gz AJPRLFXRNJEHIU-SECBINFHSA-N 0 0 197.303 2.601 10 0 AFAERN c1cc2c(s1)OC1(CCCC1)CN2 75592635 572891677 /nfs/dbraw/zinc/89/16/77/572891677.db2.gz DWPFLMBOZRVNSK-UHFFFAOYSA-N 0 0 195.287 2.865 10 0 AFAERN CC1(C)Sc2ccsc2NC1=O 75592255 572891683 /nfs/dbraw/zinc/89/16/83/572891683.db2.gz LAISQBUVDANFKN-UHFFFAOYSA-N 0 0 199.300 2.571 10 0 AFAERN CCC/C=C/CCS[C@H](C)CO 307972737 572891701 /nfs/dbraw/zinc/89/17/01/572891701.db2.gz IHPKOHDBCFRNQR-BRAIEQGRSA-N 0 0 188.336 2.847 10 0 AFAERN CCC/C=C/CCS[C@@H](C)CO 307972739 572891743 /nfs/dbraw/zinc/89/17/43/572891743.db2.gz IHPKOHDBCFRNQR-PORFMDCZSA-N 0 0 188.336 2.847 10 0 AFAERN CC(C)[C@H]1CNc2sccc2O1 75592795 572891750 /nfs/dbraw/zinc/89/17/50/572891750.db2.gz HZGJWTOZGGUHLE-MRVPVSSYSA-N 0 0 183.276 2.577 10 0 AFAERN CC[C@@H](C)C[C@@H](C)/C=C\CCO 307978037 572891760 /nfs/dbraw/zinc/89/17/60/572891760.db2.gz KOJIXHWEDIEXSB-PYIHCCSZSA-N 0 0 170.296 2.997 10 0 AFAERN C[C@@H]1CN(C)c2ccsc2S1 75592957 572891797 /nfs/dbraw/zinc/89/17/97/572891797.db2.gz LEOASJODCKCNJK-ZCFIWIBFSA-N 0 0 185.317 2.679 10 0 AFAERN CC(C)[C@@H]1CNc2ccsc2O1 75592575 572891857 /nfs/dbraw/zinc/89/18/57/572891857.db2.gz DHVNPYIAPIFAFT-QMMMGPOBSA-N 0 0 183.276 2.577 10 0 AFAERN CC[C@H](F)CN[C@@H](C)c1ccco1 308172402 572891896 /nfs/dbraw/zinc/89/18/96/572891896.db2.gz BWTPMJLTMQEPAT-IUCAKERBSA-N 0 0 185.242 2.678 10 0 AFAERN CC/C=C\C(=O)OC(C)(C)CC 307978940 572891909 /nfs/dbraw/zinc/89/19/09/572891909.db2.gz NJJOFUHBVSTSOX-FPLPWBNLSA-N 0 0 170.252 2.684 10 0 AFAERN C/C=C\[C@@H](O)[C@H]1CC=C(C)C1(C)C 118863697 572895343 /nfs/dbraw/zinc/89/53/43/572895343.db2.gz HYMPODQLPOYLTG-ADRPCIBZSA-N 0 0 180.291 2.916 10 0 AFAERN C/C(=C\c1ccc2ccccc2n1)CO 86210041 572892303 /nfs/dbraw/zinc/89/23/03/572892303.db2.gz KWELZNBALQZCCB-CSKARUKUSA-N 0 0 199.253 2.630 10 0 AFAERN Cc1cc(/C=C/CO)c2ccccc2n1 86209866 572892241 /nfs/dbraw/zinc/89/22/41/572892241.db2.gz RASFYWIQGZUQEN-SNAWJCMRSA-N 0 0 199.253 2.549 10 0 AFAERN CC(C)[C@@H]1CN(C)c2cscc2N1 75592069 572892305 /nfs/dbraw/zinc/89/23/05/572892305.db2.gz IRLQFJGXMCZUHF-QMMMGPOBSA-N 0 0 196.319 2.634 10 0 AFAERN CC(/C=C/c1ccsc1)=C\CO 307979014 572892315 /nfs/dbraw/zinc/89/23/15/572892315.db2.gz LXEKCZHWKWBKCI-DSXPNFDZSA-N 0 0 180.272 2.700 10 0 AFAERN CCCCc1cc(N)c(C(C)=O)s1 75591078 572892323 /nfs/dbraw/zinc/89/23/23/572892323.db2.gz BTHMZFZCIUSBKD-UHFFFAOYSA-N 0 0 197.303 2.876 10 0 AFAERN CC(=O)c1oc(C)cc1C(F)(F)F 75589024 572892330 /nfs/dbraw/zinc/89/23/30/572892330.db2.gz BVTZZNWVTITCEM-UHFFFAOYSA-N 0 0 192.136 2.809 10 0 AFAERN CC(C)[C@H](O)/C=C\C[Si](C)(C)C 307978911 572892333 /nfs/dbraw/zinc/89/23/33/572892333.db2.gz LWCUKLXRRLJPSV-JYESYGNLSA-N 0 0 186.371 2.898 10 0 AFAERN CC(C)[C@H]1CN(C)c2cscc2N1 75592072 572892413 /nfs/dbraw/zinc/89/24/13/572892413.db2.gz IRLQFJGXMCZUHF-MRVPVSSYSA-N 0 0 196.319 2.634 10 0 AFAERN CC[C@@H](F)C[N@H+](CC)C1CCC1 307978135 572892441 /nfs/dbraw/zinc/89/24/41/572892441.db2.gz MUYVZWUPVAOQES-SECBINFHSA-N 0 0 173.275 2.609 10 0 AFAERN CCC(CC)[C@@H]1CNc2cocc2N1 75594372 572892454 /nfs/dbraw/zinc/89/24/54/572892454.db2.gz KHYOLGGVXSFJOR-VIFPVBQESA-N 0 0 194.278 2.922 10 0 AFAERN CCC(CC)[C@H]1CNc2occc2N1 75596564 572894951 /nfs/dbraw/zinc/89/49/51/572894951.db2.gz UKAQLHSTKPNCFJ-SNVBAGLBSA-N 0 0 194.278 2.922 10 0 AFAERN CC(C)[C@H]1CNc2sccc2N1 75592871 572892521 /nfs/dbraw/zinc/89/25/21/572892521.db2.gz MERKAEHFBNNXSH-MRVPVSSYSA-N 0 0 182.292 2.610 10 0 AFAERN CCC/C=C\CCS[C@@H](C)CO 307972738 572892578 /nfs/dbraw/zinc/89/25/78/572892578.db2.gz IHPKOHDBCFRNQR-OMMCCPJFSA-N 0 0 188.336 2.847 10 0 AFAERN c1cc2c(s1)NCC1(CCCC1)N2 75592897 572892605 /nfs/dbraw/zinc/89/26/05/572892605.db2.gz SVJRZQWGKKPNOT-UHFFFAOYSA-N 0 0 194.303 2.898 10 0 AFAERN CC(C)SCC[C@H](C)C[C@@H](C)O 307972656 572892643 /nfs/dbraw/zinc/89/26/43/572892643.db2.gz ZKCBFYBPNCBSQS-VHSXEESVSA-N 0 0 190.352 2.925 10 0 AFAERN C[C@H]1CNc2sccc2S1 75592736 572892651 /nfs/dbraw/zinc/89/26/51/572892651.db2.gz ZHGVLUQXBKZJFU-YFKPBYRVSA-N 0 0 171.290 2.654 10 0 AFAERN CC[C@@H](C)C[C@@H](C)C(C)=O 50425970 572892673 /nfs/dbraw/zinc/89/26/73/572892673.db2.gz OMHNBLSGUXNATQ-HTQZYQBOSA-N 0 0 142.242 2.648 10 0 AFAERN CON(C/C=C/Cl)CCC(C)C 307979011 572892680 /nfs/dbraw/zinc/89/26/80/572892680.db2.gz NOWVMIHAWRGCCL-GQCTYLIASA-N 0 0 191.702 2.648 10 0 AFAERN CC(C)[C@H]1CN(C)c2sccc2N1 75593060 572892683 /nfs/dbraw/zinc/89/26/83/572892683.db2.gz OGTTZKZKVOPILU-SECBINFHSA-N 0 0 196.319 2.634 10 0 AFAERN CC(C)[C@@H]1CNc2occc2S1 75596284 572895285 /nfs/dbraw/zinc/89/52/85/572895285.db2.gz XKVPHKKRWURGQB-QMMMGPOBSA-N 0 0 183.276 2.822 10 0 AFAERN c1cc2c(s1)NCC1(CCCC1)O2 75592831 572892765 /nfs/dbraw/zinc/89/27/65/572892765.db2.gz XKVUCQMJLBBPDX-UHFFFAOYSA-N 0 0 195.287 2.865 10 0 AFAERN c1cc2c(s1)NC1(CCCC1)CN2 75591771 572892831 /nfs/dbraw/zinc/89/28/31/572892831.db2.gz UVZGCSDFLUEIHC-UHFFFAOYSA-N 0 0 194.303 2.898 10 0 AFAERN CC(C)[C@@H]1CN(C)c2ccsc2N1 75592005 572892866 /nfs/dbraw/zinc/89/28/66/572892866.db2.gz HRWUSMIIPCLGCB-QMMMGPOBSA-N 0 0 196.319 2.634 10 0 AFAERN C[C@H]1CNc2cscc2S1 75592912 572892895 /nfs/dbraw/zinc/89/28/95/572892895.db2.gz BONGBEMYMAROPW-YFKPBYRVSA-N 0 0 171.290 2.654 10 0 AFAERN CC[C@@H](F)CN[C@H](C)c1ccco1 308172403 572892941 /nfs/dbraw/zinc/89/29/41/572892941.db2.gz BWTPMJLTMQEPAT-RKDXNWHRSA-N 0 0 185.242 2.678 10 0 AFAERN CC(C)SCC[C@@H](C)C[C@H](C)O 307972657 572892946 /nfs/dbraw/zinc/89/29/46/572892946.db2.gz ZKCBFYBPNCBSQS-ZJUUUORDSA-N 0 0 190.352 2.925 10 0 AFAERN CC(C)SCC[C@@H](C)C[C@@H](C)O 307972654 572892956 /nfs/dbraw/zinc/89/29/56/572892956.db2.gz ZKCBFYBPNCBSQS-NXEZZACHSA-N 0 0 190.352 2.925 10 0 AFAERN CCC(CC)[C@@H]1CNc2ccoc2N1 75593976 572893009 /nfs/dbraw/zinc/89/30/09/572893009.db2.gz ZAXRNONJWUFWEL-JTQLQIEISA-N 0 0 194.278 2.922 10 0 AFAERN C[C@@H]1CNc2cscc2S1 75592909 572893050 /nfs/dbraw/zinc/89/30/50/572893050.db2.gz BONGBEMYMAROPW-RXMQYKEDSA-N 0 0 171.290 2.654 10 0 AFAERN CC(C)[C@H]1CN(C)c2ccsc2N1 75592007 572893086 /nfs/dbraw/zinc/89/30/86/572893086.db2.gz HRWUSMIIPCLGCB-MRVPVSSYSA-N 0 0 196.319 2.634 10 0 AFAERN CC/C=C/C(=O)O[C@H](C)C=C(C)C 308170958 572893385 /nfs/dbraw/zinc/89/33/85/572893385.db2.gz BIVAWXCYDGGRJG-VQCYPWCPSA-N 0 0 182.263 2.851 10 0 AFAERN C[C@H]1CN(C)c2ccsc2S1 75592968 572893119 /nfs/dbraw/zinc/89/31/19/572893119.db2.gz LEOASJODCKCNJK-LURJTMIESA-N 0 0 185.317 2.679 10 0 AFAERN c1occ2c1NCC1(CCCCC1)N2 75594469 572893129 /nfs/dbraw/zinc/89/31/29/572893129.db2.gz UCKHAORBMIUCCB-UHFFFAOYSA-N 0 0 192.262 2.820 10 0 AFAERN c1scc2c1NCC1(CCCC1)N2 75591941 572893192 /nfs/dbraw/zinc/89/31/92/572893192.db2.gz NJWUHPNGCXTULE-UHFFFAOYSA-N 0 0 194.303 2.898 10 0 AFAERN CC(C)[C@@H]1CNc2ccoc2S1 75596216 572895313 /nfs/dbraw/zinc/89/53/13/572895313.db2.gz QHOYSBWGMYSSLA-QMMMGPOBSA-N 0 0 183.276 2.822 10 0 AFAERN CC(C)(C)CC(=O)OCC1(C)CC1 308172101 572893219 /nfs/dbraw/zinc/89/32/19/572893219.db2.gz ZWGNZHZIQPCFMY-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C=C/C=C\[C@@H](CCO)C(C)(C)C 307974396 572893350 /nfs/dbraw/zinc/89/33/50/572893350.db2.gz DDLIYHAZFVYHLP-GFVADAIESA-N 0 0 168.280 2.773 10 0 AFAERN CCCC[C@H](O)c1cncc(Cl)c1 307974679 572893360 /nfs/dbraw/zinc/89/33/60/572893360.db2.gz JWWASYVKTMXBRX-JTQLQIEISA-N 0 0 199.681 2.959 10 0 AFAERN CCCC/C=C/[C@@H](C)[C@H](C)CO 307974071 572893440 /nfs/dbraw/zinc/89/34/40/572893440.db2.gz CWZJOUPWSOZSKM-QSNNZYTBSA-N 0 0 170.296 2.997 10 0 AFAERN CC(C)[C@H]1CNc2cocc2S1 75596729 572893614 /nfs/dbraw/zinc/89/36/14/572893614.db2.gz MTUJGPJPNWYAML-MRVPVSSYSA-N 0 0 183.276 2.822 10 0 AFAERN C/C=C(\C)[C@H](O)C1=CCCCC1 307973238 572893737 /nfs/dbraw/zinc/89/37/37/572893737.db2.gz BMJAKAHAHZOVCR-BWLWAFFFSA-N 0 0 166.264 2.814 10 0 AFAERN C=C/C=C\[C@H](CCO)C(C)(C)C 307974398 572893667 /nfs/dbraw/zinc/89/36/67/572893667.db2.gz DDLIYHAZFVYHLP-JYESYGNLSA-N 0 0 168.280 2.773 10 0 AFAERN CN1CC(C)(C)Sc2cocc21 75596996 572893750 /nfs/dbraw/zinc/89/37/50/572893750.db2.gz MRZCLBOORYRBQA-UHFFFAOYSA-N 0 0 183.276 2.600 10 0 AFAERN CC1(C)CNc2ccoc2S1 75596246 572893754 /nfs/dbraw/zinc/89/37/54/572893754.db2.gz MPCXGYUCFPWPGZ-UHFFFAOYSA-N 0 0 169.249 2.576 10 0 AFAERN CC[C@H](F)CN[C@H](C)c1ccco1 308172400 572893775 /nfs/dbraw/zinc/89/37/75/572893775.db2.gz BWTPMJLTMQEPAT-BDAKNGLRSA-N 0 0 185.242 2.678 10 0 AFAERN C[C@H](O)c1ccc(-c2ccccn2)cc1 118866874 572895340 /nfs/dbraw/zinc/89/53/40/572895340.db2.gz ICHXPZREUKHVCR-JTQLQIEISA-N 0 0 199.253 2.802 10 0 AFAERN CCCC/C=C\[C@@H](C)[C@H](C)CO 307974072 572893808 /nfs/dbraw/zinc/89/38/08/572893808.db2.gz CWZJOUPWSOZSKM-YTHBOFTNSA-N 0 0 170.296 2.997 10 0 AFAERN CC/C=C/C(=O)N[C@H](CC)C(C)C 308171556 572893934 /nfs/dbraw/zinc/89/39/34/572893934.db2.gz BMLUHRDTNOPKIZ-QROSGCPLSA-N 0 0 183.295 2.503 10 0 AFAERN CCC(CC)[C@H]1CNc2occc2O1 75596389 572893955 /nfs/dbraw/zinc/89/39/55/572893955.db2.gz VSFUIQSNYFQNKW-SNVBAGLBSA-N 0 0 195.262 2.889 10 0 AFAERN c1cc2c(o1)OC1(CCCCC1)CN2 75596107 572894022 /nfs/dbraw/zinc/89/40/22/572894022.db2.gz RDKAEJLADIJSTF-UHFFFAOYSA-N 0 0 193.246 2.787 10 0 AFAERN C/C=C\C(C)(C)[C@@H](O)C(C)(C)C 307974547 572894109 /nfs/dbraw/zinc/89/41/09/572894109.db2.gz DKGYTWAAWGKARQ-FUOZMLNRSA-N 0 0 170.296 2.996 10 0 AFAERN C[C@@H]1C/C(=C/CO)CC(C)(C)C1 307974048 572894126 /nfs/dbraw/zinc/89/41/26/572894126.db2.gz CTMDCPXCSPVYPO-BABIGQSTSA-N 0 0 168.280 2.751 10 0 AFAERN CCOC(=O)/C(CC)=C(\C)CC 118767136 572894134 /nfs/dbraw/zinc/89/41/34/572894134.db2.gz QVGJCHRGCUWKCT-CMDGGOBGSA-N 0 0 170.252 2.686 10 0 AFAERN C/C=C\[C@@H](O)C(C)=C=CCCC 307974069 572894142 /nfs/dbraw/zinc/89/41/42/572894142.db2.gz CWVWMRGRVFWYLZ-ILHTZKLFSA-N 0 0 166.264 2.825 10 0 AFAERN CC[C@H]1CCC/C(=C(/F)CO)C1 307974559 572894167 /nfs/dbraw/zinc/89/41/67/572894167.db2.gz DMTKFBMXFBDHQA-HHHOFRBGSA-N 0 0 172.243 2.803 10 0 AFAERN C/C=C\[C@H](O)C(C)=C=CCCC 307974070 572894227 /nfs/dbraw/zinc/89/42/27/572894227.db2.gz CWVWMRGRVFWYLZ-ODZBKIAKSA-N 0 0 166.264 2.825 10 0 AFAERN C/C(=C\CC(C)C)[C@H](O)C(C)C 307974541 572894254 /nfs/dbraw/zinc/89/42/54/572894254.db2.gz DIFKPSTUIJFUSA-PFEDMVJOSA-N 0 0 170.296 2.996 10 0 AFAERN C/C=C\CCC(C)(C)/C=C\CO 307974406 572894281 /nfs/dbraw/zinc/89/42/81/572894281.db2.gz DDMLGMKLSOIJNA-PHSHQRSZSA-N 0 0 168.280 2.917 10 0 AFAERN c1cc2c(o1)NCC1(CCCCC1)O2 75596452 572894300 /nfs/dbraw/zinc/89/43/00/572894300.db2.gz SQNJJRPDYFSKPG-UHFFFAOYSA-N 0 0 193.246 2.787 10 0 AFAERN C/C=C(\C)C[C@@H]1CCCC[C@H]1O 307974529 572895369 /nfs/dbraw/zinc/89/53/69/572895369.db2.gz DGTPFQBNWBYLJM-WSAUGYEQSA-N 0 0 168.280 2.894 10 0 AFAERN CCc1ccc(COC(C)C)cc1O 75596858 572894381 /nfs/dbraw/zinc/89/43/81/572894381.db2.gz UHYXNVIOMPUVIK-UHFFFAOYSA-N 0 0 194.274 2.880 10 0 AFAERN C/C=C\C(C)(C)[C@H](O)C(C)(C)C 307974548 572894417 /nfs/dbraw/zinc/89/44/17/572894417.db2.gz DKGYTWAAWGKARQ-UFGYOYAJSA-N 0 0 170.296 2.996 10 0 AFAERN C/C=C\CCC(C)(C)/C=C/CO 307974410 572894425 /nfs/dbraw/zinc/89/44/25/572894425.db2.gz DDMLGMKLSOIJNA-XEQCUQEESA-N 0 0 168.280 2.917 10 0 AFAERN CC(C)[C@H](O)C/C=C\OC(C)(C)C 308163959 572894490 /nfs/dbraw/zinc/89/44/90/572894490.db2.gz PAXQAGGCWVGWMA-BJPMOSCESA-N 0 0 186.295 2.722 10 0 AFAERN C/C=C(\C)[C@@H](O)C1=CCCCC1 307973239 572894562 /nfs/dbraw/zinc/89/45/62/572894562.db2.gz BMJAKAHAHZOVCR-DKSFEKEHSA-N 0 0 166.264 2.814 10 0 AFAERN C/C=C\[C@@H](O)[C@@H]1CC=C(C)C1(C)C 118863693 572894581 /nfs/dbraw/zinc/89/45/81/572894581.db2.gz HYMPODQLPOYLTG-TUISVCKWSA-N 0 0 180.291 2.916 10 0 AFAERN CC(C)[C@H]1CNc2ccoc2S1 75596217 572894601 /nfs/dbraw/zinc/89/46/01/572894601.db2.gz QHOYSBWGMYSSLA-MRVPVSSYSA-N 0 0 183.276 2.822 10 0 AFAERN CC(C)c1c(N)oc2c1C(=O)CCC2 75658335 572894604 /nfs/dbraw/zinc/89/46/04/572894604.db2.gz ACJUUMBMIXOLRW-UHFFFAOYSA-N 0 0 193.246 2.504 10 0 AFAERN C/C=C1/[C@H](C)[C@@H](O)[C@@H](C)C[C@H]1C 307973649 572894612 /nfs/dbraw/zinc/89/46/12/572894612.db2.gz BVKPIGVPNBBWRO-ZFTHSIRCSA-N 0 0 168.280 2.606 10 0 AFAERN CCOCCSCC=C1CCC1 308163246 572894651 /nfs/dbraw/zinc/89/46/51/572894651.db2.gz SRDCAIGNMHIWNY-UHFFFAOYSA-N 0 0 186.320 2.866 10 0 AFAERN CC[C@@H](F)CSCc1ccon1 307974236 572894678 /nfs/dbraw/zinc/89/46/78/572894678.db2.gz JNSJKSOMLRMCSK-SSDOTTSWSA-N 0 0 189.255 2.656 10 0 AFAERN COc1cccc(NC/C=C/Cl)c1 234886561 572894680 /nfs/dbraw/zinc/89/46/80/572894680.db2.gz WHDCZCLLDMTFSB-ZZXKWVIFSA-N 0 0 197.665 2.860 10 0 AFAERN CC(C)[C@H]1CNc2occc2S1 75596286 572894757 /nfs/dbraw/zinc/89/47/57/572894757.db2.gz XKVPHKKRWURGQB-MRVPVSSYSA-N 0 0 183.276 2.822 10 0 AFAERN CCC(CC)[C@@H]1CNc2occc2N1 75596563 572894800 /nfs/dbraw/zinc/89/48/00/572894800.db2.gz UKAQLHSTKPNCFJ-JTQLQIEISA-N 0 0 194.278 2.922 10 0 AFAERN c1cc2c(o1)NCC1(CCCCC1)N2 75596647 572894815 /nfs/dbraw/zinc/89/48/15/572894815.db2.gz NWNJBHDIUXWDNL-UHFFFAOYSA-N 0 0 192.262 2.820 10 0 AFAERN Cc1cc(C)c2c(c1C)C(=O)[C@H](C)C2 235391035 572895392 /nfs/dbraw/zinc/89/53/92/572895392.db2.gz ZNAFQPBQOICPFG-SECBINFHSA-N 0 0 188.270 2.987 10 0 AFAERN Cc1ccc(C(C)(C)O)c(C)c1C 118866019 572894915 /nfs/dbraw/zinc/89/49/15/572894915.db2.gz QUWCFTLLRGOWGN-UHFFFAOYSA-N 0 0 178.275 2.839 10 0 AFAERN C/C=C/C=C/C=C\[C@@H](O)C(C)C 307973728 572894986 /nfs/dbraw/zinc/89/49/86/572894986.db2.gz CKBOBVSEGAVGPK-CLJQZGPXSA-N 0 0 166.264 2.692 10 0 AFAERN CCCc1c(C=O)ccc(OC)c1F 118888690 572895012 /nfs/dbraw/zinc/89/50/12/572895012.db2.gz GPQXKKNHDDMBNF-UHFFFAOYSA-N 0 0 196.221 2.599 10 0 AFAERN C[C@@H](O)c1ccc(-c2ccccn2)cc1 118866871 572895041 /nfs/dbraw/zinc/89/50/41/572895041.db2.gz ICHXPZREUKHVCR-SNVBAGLBSA-N 0 0 199.253 2.802 10 0 AFAERN CC[C@H](F)CSCc1ccon1 307974237 572895092 /nfs/dbraw/zinc/89/50/92/572895092.db2.gz JNSJKSOMLRMCSK-ZETCQYMHSA-N 0 0 189.255 2.656 10 0 AFAERN CC(C)OCSc1ccccc1O 308163601 572895103 /nfs/dbraw/zinc/89/51/03/572895103.db2.gz YEBGLMXHTPACLY-UHFFFAOYSA-N 0 0 198.287 2.867 10 0 AFAERN CC(C)CC(=O)OCC1(C)CCC1 308163422 572895110 /nfs/dbraw/zinc/89/51/10/572895110.db2.gz WMCUAEUSMLPATB-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C/C=C/CCC(C)(C)/C=C\CO 307974402 572895248 /nfs/dbraw/zinc/89/52/48/572895248.db2.gz DDMLGMKLSOIJNA-ADNKFJFNSA-N 0 0 168.280 2.917 10 0 AFAERN CC[C@@H]1CCC/C(=C(/F)CO)C1 307974560 572895255 /nfs/dbraw/zinc/89/52/55/572895255.db2.gz DMTKFBMXFBDHQA-SREPSJJZSA-N 0 0 172.243 2.803 10 0 AFAERN CN1CC(C)(C)Sc2occc21 75596798 572895256 /nfs/dbraw/zinc/89/52/56/572895256.db2.gz JSHPUGIQCALVJI-UHFFFAOYSA-N 0 0 183.276 2.600 10 0 AFAERN O=C(CCCCF)[C@@H]1[C@H]2CCC[C@H]21 308164198 572895966 /nfs/dbraw/zinc/89/59/66/572895966.db2.gz YOMNEBNDGADDEJ-JZYVYDRUSA-N 0 0 184.254 2.741 10 0 AFAERN CC(C)[C@@H]1CN(C)c2cocc2S1 75596982 572895597 /nfs/dbraw/zinc/89/55/97/572895597.db2.gz UKGJEAHEXFNLMU-VIFPVBQESA-N 0 0 197.303 2.846 10 0 AFAERN CC1(C)CNc2occc2S1 75596318 572895605 /nfs/dbraw/zinc/89/56/05/572895605.db2.gz MYXLKUFMNGBNHP-UHFFFAOYSA-N 0 0 169.249 2.576 10 0 AFAERN CCCCSc1ncccc1O 307973188 572895614 /nfs/dbraw/zinc/89/56/14/572895614.db2.gz ZYFNKGLPTAYMIF-UHFFFAOYSA-N 0 0 183.276 2.679 10 0 AFAERN CCC(CC)OC(=O)C1(CC)CC1 308174214 572895829 /nfs/dbraw/zinc/89/58/29/572895829.db2.gz CQNUFGKCDJZZJY-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)[C@H]1CN(C)c2ccoc2S1 75596778 572895837 /nfs/dbraw/zinc/89/58/37/572895837.db2.gz HZQOODISCLCSNW-SECBINFHSA-N 0 0 197.303 2.846 10 0 AFAERN CC1(C)CNc2cocc2S1 75596752 572895853 /nfs/dbraw/zinc/89/58/53/572895853.db2.gz WUTOYQUFMQRVEM-UHFFFAOYSA-N 0 0 169.249 2.576 10 0 AFAERN CC(C)[C@@H]1CN(C)c2occc2S1 75596813 572895914 /nfs/dbraw/zinc/89/59/14/572895914.db2.gz JBSXONHFKAFQFJ-VIFPVBQESA-N 0 0 197.303 2.846 10 0 AFAERN CCC(CC)[C@H]1CNc2ccoc2O1 75595997 572895973 /nfs/dbraw/zinc/89/59/73/572895973.db2.gz DLCUWZPNZVEABN-SNVBAGLBSA-N 0 0 195.262 2.889 10 0 AFAERN CC(C)[C@@H]1CNc2cocc2S1 75596721 572895981 /nfs/dbraw/zinc/89/59/81/572895981.db2.gz MTUJGPJPNWYAML-QMMMGPOBSA-N 0 0 183.276 2.822 10 0 AFAERN CC[C@@H](O)/C=C\Cc1ccccc1 308163350 572895987 /nfs/dbraw/zinc/89/59/87/572895987.db2.gz ONKDFOHMGZYFDZ-XTOZHPGHSA-N 0 0 176.259 2.556 10 0 AFAERN C/C=C\[C@H](O)[C@H]1CC=C(C)C1(C)C 118863699 572896039 /nfs/dbraw/zinc/89/60/39/572896039.db2.gz HYMPODQLPOYLTG-MXFLAHGMSA-N 0 0 180.291 2.916 10 0 AFAERN CC(C)(C)COC(=O)[C@H]1CC1(C)C 308163844 572896062 /nfs/dbraw/zinc/89/60/62/572896062.db2.gz WQWHWXTXXLGSIM-MRVPVSSYSA-N 0 0 184.279 2.622 10 0 AFAERN CN1CC(C)(C)Sc2ccoc21 75596841 572896111 /nfs/dbraw/zinc/89/61/11/572896111.db2.gz SDRVYSYJYAGHGO-UHFFFAOYSA-N 0 0 183.276 2.600 10 0 AFAERN CC(C)[C@H]1CN(C)c2cocc2S1 75596985 572896118 /nfs/dbraw/zinc/89/61/18/572896118.db2.gz UKGJEAHEXFNLMU-SECBINFHSA-N 0 0 197.303 2.846 10 0 AFAERN C/C=C\[C@H](O)[C@@H]1CC=C(C)C1(C)C 118863695 572896120 /nfs/dbraw/zinc/89/61/20/572896120.db2.gz HYMPODQLPOYLTG-OBOPVNRVSA-N 0 0 180.291 2.916 10 0 AFAERN COC1(Cn2c(C)ccc2C)CCC1 234884852 572896196 /nfs/dbraw/zinc/89/61/96/572896196.db2.gz WMCNAIBPRKPTRI-UHFFFAOYSA-N 0 0 193.290 2.674 10 0 AFAERN CC(C)[C@@H](O)C/C=C\OC(C)(C)C 308163960 572896450 /nfs/dbraw/zinc/89/64/50/572896450.db2.gz PAXQAGGCWVGWMA-ZEBCKKTISA-N 0 0 186.295 2.722 10 0 AFAERN CC(C)(C)[C@@H](NC1CC1)C(F)(F)F 308163348 572896557 /nfs/dbraw/zinc/89/65/57/572896557.db2.gz WHJBUCMRTSOUSI-SSDOTTSWSA-N 0 0 195.228 2.715 10 0 AFAERN CC[C@H](O)/C=C\Cc1ccccc1 308163345 572896596 /nfs/dbraw/zinc/89/65/96/572896596.db2.gz ONKDFOHMGZYFDZ-GYGFLDJKSA-N 0 0 176.259 2.556 10 0 AFAERN CCCCC=C=CO[C@@H](C)[C@H](C)O 308163995 572896650 /nfs/dbraw/zinc/89/66/50/572896650.db2.gz PHKLHSGTWQVMEW-CSUXEGHOSA-N 0 0 184.279 2.631 10 0 AFAERN CC(C)(C)[C@H](NC1CC1)C(F)(F)F 308163349 572896733 /nfs/dbraw/zinc/89/67/33/572896733.db2.gz WHJBUCMRTSOUSI-ZETCQYMHSA-N 0 0 195.228 2.715 10 0 AFAERN CCC[C@H](O)/C(C)=C\c1ccco1 308175516 572896859 /nfs/dbraw/zinc/89/68/59/572896859.db2.gz ZXQCRLGHJJZWCR-IQQGHNRFSA-N 0 0 180.247 2.844 10 0 AFAERN CCC1(CN[C@H](C)C(F)(F)F)CC1 308175139 572897029 /nfs/dbraw/zinc/89/70/29/572897029.db2.gz CZOSFSMVMXNRPX-SSDOTTSWSA-N 0 0 195.228 2.717 10 0 AFAERN CCN[C@@H]([C@@H](C)C(C)C)C(F)(F)F 308174878 572897106 /nfs/dbraw/zinc/89/71/06/572897106.db2.gz IFDQJQPVJUOIPD-YUMQZZPRSA-N 0 0 197.244 2.819 10 0 AFAERN CCC[C@@H](Nc1nncs1)C1CC1 308174283 572897111 /nfs/dbraw/zinc/89/71/11/572897111.db2.gz DTUOHTCHQZZTPT-MRVPVSSYSA-N 0 0 197.307 2.529 10 0 AFAERN CCC1(C(=O)CCCCOC)CC1 308176658 572897151 /nfs/dbraw/zinc/89/71/51/572897151.db2.gz AVFIVEFNINIKKS-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCCc1nnc(NCC(C)C)s1 75825550 572897210 /nfs/dbraw/zinc/89/72/10/572897210.db2.gz NLVZJGPATUHAKM-UHFFFAOYSA-N 0 0 199.323 2.559 10 0 AFAERN CCC[C@@H](C)N(OC)C1CCCC1 308175160 572897977 /nfs/dbraw/zinc/89/79/77/572897977.db2.gz DAGIMJXDQHSGLI-SNVBAGLBSA-N 0 0 185.311 2.981 10 0 AFAERN CCCC(=O)N(C1CC1)[C@H](C)CC 308174714 572897981 /nfs/dbraw/zinc/89/79/81/572897981.db2.gz CWDDGFPKDVBZNV-SECBINFHSA-N 0 0 183.295 2.576 10 0 AFAERN CCN[C@@H]([C@H](C)C(C)C)C(F)(F)F 308174877 572897710 /nfs/dbraw/zinc/89/77/10/572897710.db2.gz IFDQJQPVJUOIPD-SFYZADRCSA-N 0 0 197.244 2.819 10 0 AFAERN CCN[C@H]([C@@H](C)C(C)C)C(F)(F)F 308174873 572898000 /nfs/dbraw/zinc/89/80/00/572898000.db2.gz IFDQJQPVJUOIPD-JGVFFNPUSA-N 0 0 197.244 2.819 10 0 AFAERN CCN[C@H]([C@H](C)C(C)C)C(F)(F)F 308174868 572898061 /nfs/dbraw/zinc/89/80/61/572898061.db2.gz IFDQJQPVJUOIPD-HTQZYQBOSA-N 0 0 197.244 2.819 10 0 AFAERN CCCCC/C=C(\CC)OCCO 308175056 572898089 /nfs/dbraw/zinc/89/80/89/572898089.db2.gz ZNNRINQWKHYZTP-DHZHZOJOSA-N 0 0 186.295 2.870 10 0 AFAERN CCS[C@@H](O)/C=C\c1ccccc1 308175514 572898155 /nfs/dbraw/zinc/89/81/55/572898155.db2.gz ZXJHQJPTNBFGFU-TYBABMIJSA-N 0 0 194.299 2.771 10 0 AFAERN CCCCNc1nnc(CCC)s1 75825084 572898238 /nfs/dbraw/zinc/89/82/38/572898238.db2.gz TYMFIOFMLYJLAJ-UHFFFAOYSA-N 0 0 199.323 2.703 10 0 AFAERN CCCNc1nnc(CC(C)C)s1 75824997 572898295 /nfs/dbraw/zinc/89/82/95/572898295.db2.gz NRWYMUUEEHDFQT-UHFFFAOYSA-N 0 0 199.323 2.559 10 0 AFAERN CCC1(CN[C@@H](C)C(F)(F)F)CC1 308175140 572898317 /nfs/dbraw/zinc/89/83/17/572898317.db2.gz CZOSFSMVMXNRPX-ZETCQYMHSA-N 0 0 195.228 2.717 10 0 AFAERN CC(C)CC[C@](C)(O)c1ccc[nH]1 308175541 572898407 /nfs/dbraw/zinc/89/84/07/572898407.db2.gz AGTMYGJZAMUQGV-NSHDSACASA-N 0 0 181.279 2.658 10 0 AFAERN CC(C)CC[C@@](C)(O)c1ccc[nH]1 308175528 572898469 /nfs/dbraw/zinc/89/84/69/572898469.db2.gz AGTMYGJZAMUQGV-LLVKDONJSA-N 0 0 181.279 2.658 10 0 AFAERN CCS[C@H](O)/C=C\c1ccccc1 308175513 572898530 /nfs/dbraw/zinc/89/85/30/572898530.db2.gz ZXJHQJPTNBFGFU-IQQGHNRFSA-N 0 0 194.299 2.771 10 0 AFAERN O[C@H](CC1CC1)C(C1CC1)C1CC1 308175840 572898717 /nfs/dbraw/zinc/89/87/17/572898717.db2.gz AMMLAJHXJDRPNL-LLVKDONJSA-N 0 0 180.291 2.584 10 0 AFAERN CCCOC[C@](C)(O)CCC(C)C 308176126 572898790 /nfs/dbraw/zinc/89/87/90/572898790.db2.gz FNKPNDHZEPIANO-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CCCCCCNc1cc(C)on1 75825329 572899058 /nfs/dbraw/zinc/89/90/58/572899058.db2.gz XISFPDDVXRIRBB-UHFFFAOYSA-N 0 0 182.267 2.975 10 0 AFAERN CCCCCCC(OC)(OC)OC 219979895 572898994 /nfs/dbraw/zinc/89/89/94/572898994.db2.gz YJDAVGXDCPUQCN-UHFFFAOYSA-N 0 0 190.283 2.550 10 0 AFAERN CC(=O)c1ccc(Cl)c([C@@H](C)O)c1 75852856 572899269 /nfs/dbraw/zinc/89/92/69/572899269.db2.gz UXEIMODBIQNLJV-SSDOTTSWSA-N 0 0 198.649 2.596 10 0 AFAERN O=N[C@@H]1CCCc2sccc21 199306423 572899309 /nfs/dbraw/zinc/89/93/09/572899309.db2.gz FHYDMIFRGUKJIP-SSDOTTSWSA-N 0 0 167.233 2.892 10 0 AFAERN CC(C)COc1ccc(N)c(Cl)c1 50470613 572899541 /nfs/dbraw/zinc/89/95/41/572899541.db2.gz WMXATCCZJXUYGB-UHFFFAOYSA-N 0 0 199.681 2.957 10 0 AFAERN Cc1ccc(C(C)C)c(O)c1[C@H](C)O 75853350 572899597 /nfs/dbraw/zinc/89/95/97/572899597.db2.gz XAYYRWPZTRSUOX-VIFPVBQESA-N 0 0 194.274 2.877 10 0 AFAERN Cc1ccccc1C(=O)c1ccn(C)c1 71507870 572899709 /nfs/dbraw/zinc/89/97/09/572899709.db2.gz DJNBCSRTNMEKPZ-UHFFFAOYSA-N 0 0 199.253 2.565 10 0 AFAERN CC(C)c1ccnn1C(C)C 75839231 572903202 /nfs/dbraw/zinc/90/32/02/572903202.db2.gz UWHOJXLTMXSEJR-UHFFFAOYSA-N 0 0 152.241 2.587 10 0 AFAERN COC(=N)CCc1ccccc1Cl 71507608 572899770 /nfs/dbraw/zinc/89/97/70/572899770.db2.gz OQWBLMYRQDZBTO-UHFFFAOYSA-N 0 0 197.665 2.896 10 0 AFAERN CC(=O)c1cc(Cl)cc([C@H](C)O)c1 75852859 572899787 /nfs/dbraw/zinc/89/97/87/572899787.db2.gz PDUZPKIIHPHTBT-LURJTMIESA-N 0 0 198.649 2.596 10 0 AFAERN CC(=O)c1cc(Cl)cc([C@@H](C)O)c1 75852860 572899807 /nfs/dbraw/zinc/89/98/07/572899807.db2.gz PDUZPKIIHPHTBT-ZCFIWIBFSA-N 0 0 198.649 2.596 10 0 AFAERN Cc1ccc(Cl)c([C@@H](C)O)c1F 75852766 572899899 /nfs/dbraw/zinc/89/98/99/572899899.db2.gz SWMWUVINQHPDRK-ZCFIWIBFSA-N 0 0 188.629 2.841 10 0 AFAERN CCCCSCC(=O)C(C)C 86277321 572907580 /nfs/dbraw/zinc/90/75/80/572907580.db2.gz JPUGFNIKEIUQSR-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CC(=O)c1ccc(Cl)c([C@H](C)O)c1 75852855 572899939 /nfs/dbraw/zinc/89/99/39/572899939.db2.gz UXEIMODBIQNLJV-ZETCQYMHSA-N 0 0 198.649 2.596 10 0 AFAERN C[C@@H](O)c1nc2cc(Cl)ccc2o1 75853264 572899968 /nfs/dbraw/zinc/89/99/68/572899968.db2.gz MMPZDEJBZJHUMJ-RXMQYKEDSA-N 0 0 197.621 2.535 10 0 AFAERN CCc1nc([C@@H](O)C(C)C)sc1C 75853605 572900023 /nfs/dbraw/zinc/90/00/23/572900023.db2.gz HDFILDXJKHOFLP-VIFPVBQESA-N 0 0 199.319 2.703 10 0 AFAERN COc1ccc(F)c([C@@H](O)C(C)C)c1 75853365 572900224 /nfs/dbraw/zinc/90/02/24/572900224.db2.gz YMZYVYONFXNYQG-NSHDSACASA-N 0 0 198.237 2.524 10 0 AFAERN C[C@@H](O)c1nc2ccc(Cl)cc2o1 75853270 572900360 /nfs/dbraw/zinc/90/03/60/572900360.db2.gz LZJCLZPZIGUGEP-RXMQYKEDSA-N 0 0 197.621 2.535 10 0 AFAERN COc1ccc(F)c([C@H](O)C(C)C)c1 75853366 572900450 /nfs/dbraw/zinc/90/04/50/572900450.db2.gz YMZYVYONFXNYQG-LLVKDONJSA-N 0 0 198.237 2.524 10 0 AFAERN CCC/C=C/C(=O)OCC=C(C)C 308172875 572900452 /nfs/dbraw/zinc/90/04/52/572900452.db2.gz BYULUNTZKGBHOP-VOTSOKGWSA-N 0 0 182.263 2.852 10 0 AFAERN Cc1ccc(C(C)C)c(O)c1[C@@H](C)O 75853349 572900497 /nfs/dbraw/zinc/90/04/97/572900497.db2.gz XAYYRWPZTRSUOX-SECBINFHSA-N 0 0 194.274 2.877 10 0 AFAERN COC(=N)CCc1cccc(Cl)c1 71507622 572900577 /nfs/dbraw/zinc/90/05/77/572900577.db2.gz DLMZDYKLOOKTEJ-UHFFFAOYSA-N 0 0 197.665 2.896 10 0 AFAERN CCC/C=C\C(=O)OCC=C(C)C 308172873 572900617 /nfs/dbraw/zinc/90/06/17/572900617.db2.gz BYULUNTZKGBHOP-SREVYHEPSA-N 0 0 182.263 2.852 10 0 AFAERN Cc1cc(C)cc(-c2cc(=O)o[nH]2)c1 71976588 572900669 /nfs/dbraw/zinc/90/06/69/572900669.db2.gz ITWJLGGVKOJNJU-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN CCc1nc([C@H](O)C(C)C)sc1C 75853604 572900873 /nfs/dbraw/zinc/90/08/73/572900873.db2.gz HDFILDXJKHOFLP-SECBINFHSA-N 0 0 199.319 2.703 10 0 AFAERN CCc1ccc(-c2cc(=O)o[nH]2)cc1 71976598 572900949 /nfs/dbraw/zinc/90/09/49/572900949.db2.gz CRNIXVUXMQPCER-UHFFFAOYSA-N 0 0 189.214 2.610 10 0 AFAERN O=Cc1c(C2CCCC2)noc1Cl 71976741 572901043 /nfs/dbraw/zinc/90/10/43/572901043.db2.gz UDJCTYARAUWVJD-UHFFFAOYSA-N 0 0 199.637 2.798 10 0 AFAERN Cc1ccc(Cl)c([C@H](C)O)c1F 75852767 572901071 /nfs/dbraw/zinc/90/10/71/572901071.db2.gz SWMWUVINQHPDRK-LURJTMIESA-N 0 0 188.629 2.841 10 0 AFAERN C[C@H](O)c1nc2ccc(Cl)cc2o1 75853269 572901182 /nfs/dbraw/zinc/90/11/82/572901182.db2.gz LZJCLZPZIGUGEP-YFKPBYRVSA-N 0 0 197.621 2.535 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)CC(F)(F)F 308177449 572902325 /nfs/dbraw/zinc/90/23/25/572902325.db2.gz FZMYRJXFFXJZQE-HTQZYQBOSA-N 0 0 198.228 2.982 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)CC(F)(F)F 308177452 572901330 /nfs/dbraw/zinc/90/13/30/572901330.db2.gz FZMYRJXFFXJZQE-YUMQZZPRSA-N 0 0 198.228 2.982 10 0 AFAERN C[C@H](O)c1nc2cc(Cl)ccc2o1 75853263 572901558 /nfs/dbraw/zinc/90/15/58/572901558.db2.gz MMPZDEJBZJHUMJ-YFKPBYRVSA-N 0 0 197.621 2.535 10 0 AFAERN CCC[C@@H](NOC(C)(C)C)C1CC1 308181494 572901598 /nfs/dbraw/zinc/90/15/98/572901598.db2.gz HMKRROMKCPETEZ-SNVBAGLBSA-N 0 0 185.311 2.885 10 0 AFAERN COc1ncc(C2CCCCC2)cn1 75841300 572901827 /nfs/dbraw/zinc/90/18/27/572901827.db2.gz BARCCNOHZVORFI-UHFFFAOYSA-N 0 0 192.262 2.533 10 0 AFAERN CC(C)c1ncc2sccn12 75839063 572901873 /nfs/dbraw/zinc/90/18/73/572901873.db2.gz STCPLCGSBQWQNE-UHFFFAOYSA-N 0 0 166.249 2.519 10 0 AFAERN C=Cn1ccnc1[C@H](C)C(F)(F)F 75839972 572901900 /nfs/dbraw/zinc/90/19/00/572901900.db2.gz LDNQDAKOJFEHCF-LURJTMIESA-N 0 0 190.168 2.649 10 0 AFAERN CC[C@H](O)/C=C(\C)c1ccccc1 308173970 572901932 /nfs/dbraw/zinc/90/19/32/572901932.db2.gz YLJDMBAODXAXSN-VMPCVLLUSA-N 0 0 176.259 2.861 10 0 AFAERN CNc1ccc(C(C)C)cc1F 75839281 572901980 /nfs/dbraw/zinc/90/19/80/572901980.db2.gz XMGRKTWXPOKMSU-UHFFFAOYSA-N 0 0 167.227 2.991 10 0 AFAERN COC(=O)c1ccc(F)c(C(C)C)c1 75839297 572902006 /nfs/dbraw/zinc/90/20/06/572902006.db2.gz XDFPYAAWIKIFIL-UHFFFAOYSA-N 0 0 196.221 2.736 10 0 AFAERN CC(=O)Nc1ccc(C(C)C)cc1F 75839283 572902075 /nfs/dbraw/zinc/90/20/75/572902075.db2.gz WSKIPDWMPIHARG-UHFFFAOYSA-N 0 0 195.237 2.908 10 0 AFAERN CCCOC(=O)N[C@H](CC)C(C)C 308173928 572902100 /nfs/dbraw/zinc/90/21/00/572902100.db2.gz DPMCABGRLUSWHH-SECBINFHSA-N 0 0 187.283 2.557 10 0 AFAERN C=Cn1ccnc1C1CCCC1 75840780 572902106 /nfs/dbraw/zinc/90/21/06/572902106.db2.gz AIVCZHGNPIAJFU-UHFFFAOYSA-N 0 0 162.236 2.641 10 0 AFAERN CC(C)c1c2ccccc2nn1C 75839222 572902147 /nfs/dbraw/zinc/90/21/47/572902147.db2.gz LHOLQEHZEUJKDF-UHFFFAOYSA-N 0 0 174.247 2.697 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)CC(F)(F)F 308177451 572902219 /nfs/dbraw/zinc/90/22/19/572902219.db2.gz FZMYRJXFFXJZQE-SFYZADRCSA-N 0 0 198.228 2.982 10 0 AFAERN Cc1ncc(-c2cccc(F)c2)o1 75838781 572902260 /nfs/dbraw/zinc/90/22/60/572902260.db2.gz MIGDIBCJKGOGNO-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN COc1cccc(F)c1C(C)C 75838819 572902548 /nfs/dbraw/zinc/90/25/48/572902548.db2.gz XYJBXTVPBYTIMV-UHFFFAOYSA-N 0 0 168.211 2.958 10 0 AFAERN Cc1ncc(-c2ccc(F)cc2)o1 75838769 572902783 /nfs/dbraw/zinc/90/27/83/572902783.db2.gz JPPODQINIUAAIY-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN Cc1n[nH]c(C)c1C1CCCC1 75840518 572902607 /nfs/dbraw/zinc/90/26/07/572902607.db2.gz DPCYTGMWSFUOCO-UHFFFAOYSA-N 0 0 164.252 2.684 10 0 AFAERN CCC/C=C\CCn1ccsc1=O 308174027 572902639 /nfs/dbraw/zinc/90/26/39/572902639.db2.gz CNKLUIXITVIDIB-PLNGDYQASA-N 0 0 197.303 2.656 10 0 AFAERN Cc1nc(C2CCCC2)oc1C 75840987 572902648 /nfs/dbraw/zinc/90/26/48/572902648.db2.gz DYLKICAXDZHLST-UHFFFAOYSA-N 0 0 165.236 2.949 10 0 AFAERN CCCC(=O)OC[C@H](C)C(F)(F)F 308173619 572902681 /nfs/dbraw/zinc/90/26/81/572902681.db2.gz CIUYAUGZZAITCW-LURJTMIESA-N 0 0 198.184 2.528 10 0 AFAERN C[C@@H](c1ccccn1)C(F)(F)F 75839425 572902698 /nfs/dbraw/zinc/90/26/98/572902698.db2.gz LWSAHJFRMHCWNC-LURJTMIESA-N 0 0 175.153 2.747 10 0 AFAERN CCc1nc(C(=O)C(C)C)sc1C 75854585 572902761 /nfs/dbraw/zinc/90/27/61/572902761.db2.gz XNZOSVLMBLDYKX-UHFFFAOYSA-N 0 0 197.303 2.853 10 0 AFAERN CNc1ccc([C@H](O)C(C)C)cc1F 75853941 572902799 /nfs/dbraw/zinc/90/27/99/572902799.db2.gz GTNFJVDGGJUNSM-LLVKDONJSA-N 0 0 197.253 2.557 10 0 AFAERN CCCOC(=O)N[C@@H](CC)C(C)C 308173930 572902809 /nfs/dbraw/zinc/90/28/09/572902809.db2.gz DPMCABGRLUSWHH-VIFPVBQESA-N 0 0 187.283 2.557 10 0 AFAERN Cc1nc([C@@H](C)C(F)(F)F)oc1C 75840260 572902895 /nfs/dbraw/zinc/90/28/95/572902895.db2.gz PPWWFYWSKGPNSM-SCSAIBSYSA-N 0 0 193.168 2.957 10 0 AFAERN CC(C)c1ncc(-c2ccncc2)o1 75839254 572902923 /nfs/dbraw/zinc/90/29/23/572902923.db2.gz RNSCIMFAPIJLHB-UHFFFAOYSA-N 0 0 188.230 2.860 10 0 AFAERN C[C@@H](c1nccs1)C(F)(F)F 75839450 572902933 /nfs/dbraw/zinc/90/29/33/572902933.db2.gz YIQKLUJKFNSMOQ-BYPYZUCNSA-N 0 0 181.182 2.809 10 0 AFAERN CC(C)c1nccn1C(C)(C)C 75838986 572902936 /nfs/dbraw/zinc/90/29/36/572902936.db2.gz PQIRBRQGFWSAAM-UHFFFAOYSA-N 0 0 166.268 2.762 10 0 AFAERN C[C@H](c1ccccc1)c1cnn(C)c1 75841691 572903273 /nfs/dbraw/zinc/90/32/73/572903273.db2.gz SMCDCXZAHNRCMM-SNVBAGLBSA-N 0 0 186.258 2.572 10 0 AFAERN Cc1n[nH]cc1[C@H](C)c1ccccc1 75841694 572903036 /nfs/dbraw/zinc/90/30/36/572903036.db2.gz CXFAPLDCMKOVMA-SECBINFHSA-N 0 0 186.258 2.870 10 0 AFAERN C[C@@H](c1cccnc1)C(F)(F)F 75839428 572903047 /nfs/dbraw/zinc/90/30/47/572903047.db2.gz FNCJBRSOXOEDTB-LURJTMIESA-N 0 0 175.153 2.747 10 0 AFAERN C[C@@H](OC1CCC1)c1ccc(N)cc1 50519198 572903101 /nfs/dbraw/zinc/90/31/01/572903101.db2.gz ZGFHNFUXVHYYDT-SECBINFHSA-N 0 0 191.274 2.899 10 0 AFAERN C[C@H](c1cccnc1)C(F)(F)F 75839430 572903143 /nfs/dbraw/zinc/90/31/43/572903143.db2.gz FNCJBRSOXOEDTB-ZCFIWIBFSA-N 0 0 175.153 2.747 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)CC(F)(F)F 308177450 572903241 /nfs/dbraw/zinc/90/32/41/572903241.db2.gz FZMYRJXFFXJZQE-JGVFFNPUSA-N 0 0 198.228 2.982 10 0 AFAERN CCn1ccnc1C1CCCCC1 75841362 572903408 /nfs/dbraw/zinc/90/34/08/572903408.db2.gz AOCUHEIHVINERM-UHFFFAOYSA-N 0 0 178.279 2.951 10 0 AFAERN COC(=O)c1ccc(C)c(C(C)C)c1 75839320 572903412 /nfs/dbraw/zinc/90/34/12/572903412.db2.gz CHVGKTYSBYYILL-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CC(C)c1c(F)ccc2cnn(C)c12 75839220 572903487 /nfs/dbraw/zinc/90/34/87/572903487.db2.gz UGJJHBZFMBJFMR-UHFFFAOYSA-N 0 0 192.237 2.836 10 0 AFAERN Fc1cccnc1C1CCCC1 75840680 572903502 /nfs/dbraw/zinc/90/35/02/572903502.db2.gz ZOUYSLQSZGSRFF-UHFFFAOYSA-N 0 0 165.211 2.878 10 0 AFAERN Cc1nc([C@H](C)C(F)(F)F)oc1C 75840261 572903941 /nfs/dbraw/zinc/90/39/41/572903941.db2.gz PPWWFYWSKGPNSM-BYPYZUCNSA-N 0 0 193.168 2.957 10 0 AFAERN CNc1ccc([C@@H](O)C(C)C)cc1F 75853940 572903951 /nfs/dbraw/zinc/90/39/51/572903951.db2.gz GTNFJVDGGJUNSM-NSHDSACASA-N 0 0 197.253 2.557 10 0 AFAERN CCCC1([C@@H](O)c2ccc[nH]2)CC1 308178262 572903961 /nfs/dbraw/zinc/90/39/61/572903961.db2.gz BLGAGXVINXYOIE-JTQLQIEISA-N 0 0 179.263 2.628 10 0 AFAERN Cc1cnc(C(=O)C(C)(C)C)s1 75854874 572903982 /nfs/dbraw/zinc/90/39/82/572903982.db2.gz YLWLWVZNLZKQGA-UHFFFAOYSA-N 0 0 183.276 2.680 10 0 AFAERN Cn1ncc(Cl)c1C1CCCC1 75840975 572904008 /nfs/dbraw/zinc/90/40/08/572904008.db2.gz YPUQLTBPKFGTOZ-UHFFFAOYSA-N 0 0 184.670 2.731 10 0 AFAERN CC(C)c1ccc2c(c1)CCN2C 75838900 572904033 /nfs/dbraw/zinc/90/40/33/572904033.db2.gz HPTFWCCNJCPXGI-UHFFFAOYSA-N 0 0 175.275 2.802 10 0 AFAERN CC(C)c1ncc(-c2cccnc2)o1 75839252 572904063 /nfs/dbraw/zinc/90/40/63/572904063.db2.gz APUOXJTYPLEPIV-UHFFFAOYSA-N 0 0 188.230 2.860 10 0 AFAERN CC[C@H](Sc1ccccc1)[C@@H](C)O 308180289 572904782 /nfs/dbraw/zinc/90/47/82/572904782.db2.gz CIYXDHQXVMPQEG-KOLCDFICSA-N 0 0 196.315 2.938 10 0 AFAERN CC/C=C\CCOC(=O)[C@@H]1C[C@@H]1C 308178415 572905142 /nfs/dbraw/zinc/90/51/42/572905142.db2.gz GENHFZPPMNHLCY-YVDHIRPGSA-N 0 0 182.263 2.542 10 0 AFAERN Cc1sccc1CNOC(C)(C)C 308179442 572904879 /nfs/dbraw/zinc/90/48/79/572904879.db2.gz CACDDEIHXREDCH-UHFFFAOYSA-N 0 0 199.319 2.876 10 0 AFAERN CC[C@H](Sc1ccccc1)[C@H](C)O 308180290 572904900 /nfs/dbraw/zinc/90/49/00/572904900.db2.gz CIYXDHQXVMPQEG-ONGXEEELSA-N 0 0 196.315 2.938 10 0 AFAERN CC/C=C/CCOC(=O)[C@@H]1C[C@H]1C 308178413 572904909 /nfs/dbraw/zinc/90/49/09/572904909.db2.gz GENHFZPPMNHLCY-NUNSBDKSSA-N 0 0 182.263 2.542 10 0 AFAERN CC/C=C/CCOC(=O)[C@@H]1C[C@@H]1C 308178414 572904948 /nfs/dbraw/zinc/90/49/48/572904948.db2.gz GENHFZPPMNHLCY-OCIBVNFRSA-N 0 0 182.263 2.542 10 0 AFAERN CCCC1([C@H](O)c2ccc[nH]2)CC1 308178263 572905146 /nfs/dbraw/zinc/90/51/46/572905146.db2.gz BLGAGXVINXYOIE-SNVBAGLBSA-N 0 0 179.263 2.628 10 0 AFAERN CCCCCC(O)=CC(=O)C1CCC1 379038764 572905503 /nfs/dbraw/zinc/90/55/03/572905503.db2.gz LGVVFNOKEJFBSB-UHFFFAOYSA-N 0 0 196.290 2.895 10 0 AFAERN CC[C@@H](Sc1ccccc1)[C@H](C)O 308180288 572905518 /nfs/dbraw/zinc/90/55/18/572905518.db2.gz CIYXDHQXVMPQEG-GXSJLCMTSA-N 0 0 196.315 2.938 10 0 AFAERN Cc1cc(OC(C)(C)C)ccc1CO 75844591 572905773 /nfs/dbraw/zinc/90/57/73/572905773.db2.gz GOLDPXNZGZFSLL-UHFFFAOYSA-N 0 0 194.274 2.665 10 0 AFAERN C[C@@H](c1ccccc1)c1ccnn1C 75842260 572905787 /nfs/dbraw/zinc/90/57/87/572905787.db2.gz ROFJIFURHMBSFD-JTQLQIEISA-N 0 0 186.258 2.572 10 0 AFAERN Cc1cccc(OCC(=O)C(C)C)c1 86277075 572905931 /nfs/dbraw/zinc/90/59/31/572905931.db2.gz CGEWCYZBVFKOEN-UHFFFAOYSA-N 0 0 192.258 2.599 10 0 AFAERN CC(C)C(=O)COC1CCCCCC1 86277140 572905948 /nfs/dbraw/zinc/90/59/48/572905948.db2.gz ZGTNXLMBOUUEKF-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)C(=O)CO[C@@H]1CCC[C@H](C)C1 86277121 572906230 /nfs/dbraw/zinc/90/62/30/572906230.db2.gz INMNPIVDVAMIMY-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN COc1c(C(C)C)ccc(C)c1CO 75844807 572906242 /nfs/dbraw/zinc/90/62/42/572906242.db2.gz JNRPOTVQPADXLP-UHFFFAOYSA-N 0 0 194.274 2.619 10 0 AFAERN O=Cc1nc2c(ccc3ccccc32)o1 75844317 572906272 /nfs/dbraw/zinc/90/62/72/572906272.db2.gz KEFSJZAHZNOWIY-UHFFFAOYSA-N 0 0 197.193 2.794 10 0 AFAERN C[C@H](c1ccccc1)c1ncccn1 75842000 572906341 /nfs/dbraw/zinc/90/63/41/572906341.db2.gz DCRNBEMTOZLPOC-SNVBAGLBSA-N 0 0 184.242 2.628 10 0 AFAERN C/C=C1\CC[C@@H]2CCCC[C@@]12CO 308180831 572906358 /nfs/dbraw/zinc/90/63/58/572906358.db2.gz CPFXZQGZIWPJQW-URWNVNSQSA-N 0 0 180.291 2.895 10 0 AFAERN CO[C@@H](C)CC(=O)[C@@H](C)CC(C)C 308180467 572906365 /nfs/dbraw/zinc/90/63/65/572906365.db2.gz HATUDTCVSNZWLD-UWVGGRQHSA-N 0 0 186.295 2.663 10 0 AFAERN CC(C)(C)c1csc(C(C)(C)O)n1 75845963 572906372 /nfs/dbraw/zinc/90/63/72/572906372.db2.gz HMRBKJFDAVHLRS-UHFFFAOYSA-N 0 0 199.319 2.668 10 0 AFAERN C[C@@H](c1ccccc1)c1ncccn1 75841998 572906375 /nfs/dbraw/zinc/90/63/75/572906375.db2.gz DCRNBEMTOZLPOC-JTQLQIEISA-N 0 0 184.242 2.628 10 0 AFAERN CC(C)C(=O)CO[C@H]1CCCC[C@H]1C 86277011 572906453 /nfs/dbraw/zinc/90/64/53/572906453.db2.gz VOFJJDRCWDWDCS-PWSUYJOCSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)c1nc([C@@H](C)CCO)cs1 308183648 572906459 /nfs/dbraw/zinc/90/64/59/572906459.db2.gz DUMBGHMTDYOICB-QMMMGPOBSA-N 0 0 199.319 2.752 10 0 AFAERN C[C@H](c1ccccc1)c1nccn1C 75841973 572906526 /nfs/dbraw/zinc/90/65/26/572906526.db2.gz HXEAHSLXXICOKY-SNVBAGLBSA-N 0 0 186.258 2.572 10 0 AFAERN CC(C)CCNc1nccc(Cl)n1 57331271 572906613 /nfs/dbraw/zinc/90/66/13/572906613.db2.gz NRPJFHCTCIEBOX-UHFFFAOYSA-N 0 0 199.685 2.588 10 0 AFAERN CC(C)(C)C(=O)CCc1ccc[nH]1 308181007 572906756 /nfs/dbraw/zinc/90/67/56/572906756.db2.gz CJIXYFWSXXIRJK-UHFFFAOYSA-N 0 0 179.263 2.563 10 0 AFAERN C[C@@H](c1ccccc1)c1nccn1C 75841971 572906788 /nfs/dbraw/zinc/90/67/88/572906788.db2.gz HXEAHSLXXICOKY-JTQLQIEISA-N 0 0 186.258 2.572 10 0 AFAERN Cc1ccc(N)cc1-c1ccc(N)cc1 75877795 572910260 /nfs/dbraw/zinc/91/02/60/572910260.db2.gz UODGAAJQHAUPLV-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CC(C)c1nc([C@H](C)CCO)cs1 308183646 572906953 /nfs/dbraw/zinc/90/69/53/572906953.db2.gz DUMBGHMTDYOICB-MRVPVSSYSA-N 0 0 199.319 2.752 10 0 AFAERN CO[C@H](C)CC(=O)[C@H](C)CC(C)C 308180466 572907018 /nfs/dbraw/zinc/90/70/18/572907018.db2.gz HATUDTCVSNZWLD-NXEZZACHSA-N 0 0 186.295 2.663 10 0 AFAERN CC(C)C(=O)COCCC(C)(C)C 86277313 572907146 /nfs/dbraw/zinc/90/71/46/572907146.db2.gz RIWMGNAAMJDLAH-UHFFFAOYSA-N 0 0 186.295 2.664 10 0 AFAERN CC(C)C[C@@H](C)OCC(=O)C(C)C 86277034 572907153 /nfs/dbraw/zinc/90/71/53/572907153.db2.gz MNFWFPFVMNECIM-SNVBAGLBSA-N 0 0 186.295 2.663 10 0 AFAERN COc1ccc(C(=O)CC2CC2)s1 308183028 572907161 /nfs/dbraw/zinc/90/71/61/572907161.db2.gz DPDYAFMOMILGEI-UHFFFAOYSA-N 0 0 196.271 2.740 10 0 AFAERN CC(C)C(=O)CO[C@@H]1CCC[C@@H](C)C1 86277120 572907276 /nfs/dbraw/zinc/90/72/76/572907276.db2.gz INMNPIVDVAMIMY-GHMZBOCLSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ccc(OCC(=O)C(C)C)cc1 86277009 572907298 /nfs/dbraw/zinc/90/72/98/572907298.db2.gz KKIVXHNZTOOSHJ-UHFFFAOYSA-N 0 0 192.258 2.599 10 0 AFAERN CC(C)C[C@H](C)OCC(=O)C(C)C 86277035 572907302 /nfs/dbraw/zinc/90/73/02/572907302.db2.gz MNFWFPFVMNECIM-JTQLQIEISA-N 0 0 186.295 2.663 10 0 AFAERN CCCn1ccnc1C[Si](C)(C)C 308180433 572907397 /nfs/dbraw/zinc/90/73/97/572907397.db2.gz CAGBHLBFJMSUCS-UHFFFAOYSA-N 0 0 196.370 2.713 10 0 AFAERN CC(C)C(=O)CO[C@@H]1CCCC[C@@H]1C 86277014 572907458 /nfs/dbraw/zinc/90/74/58/572907458.db2.gz VOFJJDRCWDWDCS-CMPLNLGQSA-N 0 0 198.306 2.807 10 0 AFAERN CO[C@H](C)CC(=O)[C@@H](C)CC(C)C 308180469 572907459 /nfs/dbraw/zinc/90/74/59/572907459.db2.gz HATUDTCVSNZWLD-VHSXEESVSA-N 0 0 186.295 2.663 10 0 AFAERN CO[C@@H](C)CC(=O)[C@H](C)CC(C)C 308180470 572907461 /nfs/dbraw/zinc/90/74/61/572907461.db2.gz HATUDTCVSNZWLD-ZJUUUORDSA-N 0 0 186.295 2.663 10 0 AFAERN CC(C)C(=O)CO[C@H]1CCC[C@H](C)C1 86277118 572907489 /nfs/dbraw/zinc/90/74/89/572907489.db2.gz INMNPIVDVAMIMY-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)CCCOCC(=O)C(C)C 86277112 572907496 /nfs/dbraw/zinc/90/74/96/572907496.db2.gz VRSLBNJADJLWGB-UHFFFAOYSA-N 0 0 186.295 2.664 10 0 AFAERN Cc1ccc(N)c(-c2ccc(N)cc2)c1 75877794 572907756 /nfs/dbraw/zinc/90/77/56/572907756.db2.gz OAKQCWSRUBHQLI-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CCCCCCOCC(=O)C(C)C 86277116 572907817 /nfs/dbraw/zinc/90/78/17/572907817.db2.gz ZGSACTWGOILBDC-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC(C)C(=O)CSCc1ccco1 86277323 572907842 /nfs/dbraw/zinc/90/78/42/572907842.db2.gz CJUJLPHDCBZMSA-UHFFFAOYSA-N 0 0 198.287 2.738 10 0 AFAERN CC(C)C(=O)CO[C@H]1CCC[C@@H](C)C1 86277117 572907850 /nfs/dbraw/zinc/90/78/50/572907850.db2.gz INMNPIVDVAMIMY-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)C(=O)COC1CCCCC1 86277046 572907858 /nfs/dbraw/zinc/90/78/58/572907858.db2.gz PRKMBADEVNBEDD-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C(=O)CO[C@@H]1CCCC[C@H]1C 86277013 572907902 /nfs/dbraw/zinc/90/79/02/572907902.db2.gz VOFJJDRCWDWDCS-ZYHUDNBSSA-N 0 0 198.306 2.807 10 0 AFAERN CC1CCC(OCC(=O)C(C)C)CC1 86277017 572907962 /nfs/dbraw/zinc/90/79/62/572907962.db2.gz PPDQOKCMPQEPRR-UHFFFAOYSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)C(=O)COCC1CCCCC1 86277237 572908012 /nfs/dbraw/zinc/90/80/12/572908012.db2.gz MKHLBZPTXZTQSA-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN C1=C[C@]23CCC[C@@]2(CC1)C3 96347679 572910778 /nfs/dbraw/zinc/91/07/78/572910778.db2.gz WIFBEXHOHTVPTE-ZJUUUORDSA-N 0 0 134.222 2.897 10 0 AFAERN CS/C=C\c1nnc([C@@H]2C[C@@H]2C)o1 308185019 572908318 /nfs/dbraw/zinc/90/83/18/572908318.db2.gz IOYPFNBCYUAVOS-QUVJZYQGSA-N 0 0 196.275 2.527 10 0 AFAERN CC(C)C(=O)CO[C@H]1CCCC[C@@H]1C 86277012 572908372 /nfs/dbraw/zinc/90/83/72/572908372.db2.gz VOFJJDRCWDWDCS-JQWIXIFHSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ccccc1OCC(=O)C(C)C 86277077 572908375 /nfs/dbraw/zinc/90/83/75/572908375.db2.gz DMDNKHVIPKLYFD-UHFFFAOYSA-N 0 0 192.258 2.599 10 0 AFAERN CCC1([C@H]([NH2+]C)c2ccco2)CC1 308184539 572908417 /nfs/dbraw/zinc/90/84/17/572908417.db2.gz DWXNYRCPRCWUDC-SNVBAGLBSA-N 0 0 179.263 2.730 10 0 AFAERN COCCC(=O)CC1(C)CCCC1 308185169 572908645 /nfs/dbraw/zinc/90/86/45/572908645.db2.gz FJSZJQGOLMWNPM-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN C[C@H](O)C[C@H](CF)c1ccccc1 308185653 572910791 /nfs/dbraw/zinc/91/07/91/572910791.db2.gz FLZOKNGIILYMIZ-GXSJLCMTSA-N 0 0 182.238 2.511 10 0 AFAERN Cc1nc(C(=O)CCC(C)C)co1 308184991 572908846 /nfs/dbraw/zinc/90/88/46/572908846.db2.gz JCOOCFJCNZTQMJ-UHFFFAOYSA-N 0 0 181.235 2.602 10 0 AFAERN CC/C=C\c1nc(CSCC)no1 308184271 572908953 /nfs/dbraw/zinc/90/89/53/572908953.db2.gz IJELWAGQNUJGKS-WAYWQWQTSA-N 0 0 198.291 2.746 10 0 AFAERN C/C=C\[C@@H]1C[C@H](C(C)(C)C)C[C@@H]1O 308184636 572909054 /nfs/dbraw/zinc/90/90/54/572909054.db2.gz DYYVNEQZQUQKOR-KXKRRDFDSA-N 0 0 182.307 2.996 10 0 AFAERN CCC1([C@@H]([NH2+]C)c2ccco2)CC1 308184534 572909068 /nfs/dbraw/zinc/90/90/68/572909068.db2.gz DWXNYRCPRCWUDC-JTQLQIEISA-N 0 0 179.263 2.730 10 0 AFAERN CNC(=S)c1ccc(C(C)C)cc1 75856819 572909486 /nfs/dbraw/zinc/90/94/86/572909486.db2.gz AOLBISQMJCUMSN-UHFFFAOYSA-N 0 0 193.315 2.705 10 0 AFAERN CCCCC(=O)c1ccccc1C=O 28821236 572909602 /nfs/dbraw/zinc/90/96/02/572909602.db2.gz SNXIBMGOCVIDJT-UHFFFAOYSA-N 0 0 190.242 2.872 10 0 AFAERN C/C=C\[C@@H]1C[C@H](C(C)(C)C)C[C@H]1O 308184635 572909628 /nfs/dbraw/zinc/90/96/28/572909628.db2.gz DYYVNEQZQUQKOR-FECYFJFNSA-N 0 0 182.307 2.996 10 0 AFAERN CC/C=C/c1nc(CSCC)no1 308184270 572909926 /nfs/dbraw/zinc/90/99/26/572909926.db2.gz IJELWAGQNUJGKS-AATRIKPKSA-N 0 0 198.291 2.746 10 0 AFAERN CCCCCc1ccc(C=O)nc1 308184219 572910088 /nfs/dbraw/zinc/91/00/88/572910088.db2.gz DZQLQCFJWGOKIJ-UHFFFAOYSA-N 0 0 177.247 2.627 10 0 AFAERN CS/C=C\c1nnc([C@@H]2C[C@H]2C)o1 308185018 572910114 /nfs/dbraw/zinc/91/01/14/572910114.db2.gz IOYPFNBCYUAVOS-MLTUQKMXSA-N 0 0 196.275 2.527 10 0 AFAERN C[C@@H](O)C[C@H](CF)c1ccccc1 308185655 572910674 /nfs/dbraw/zinc/91/06/74/572910674.db2.gz FLZOKNGIILYMIZ-MWLCHTKSSA-N 0 0 182.238 2.511 10 0 AFAERN C/C=C(/CCCCO)[Si](C)(C)C 237984340 572910885 /nfs/dbraw/zinc/91/08/85/572910885.db2.gz NJQUSSOHMMVNRO-YHYXMXQVSA-N 0 0 186.371 2.973 10 0 AFAERN CCCCC[C@H](O)c1coc(C)n1 308185765 572910975 /nfs/dbraw/zinc/91/09/75/572910975.db2.gz JMRWEKYFRLCXJK-JTQLQIEISA-N 0 0 183.251 2.597 10 0 AFAERN CNC(=S)c1cccc(Cl)c1C 75856541 572910981 /nfs/dbraw/zinc/91/09/81/572910981.db2.gz URMTYTIRWPBMAI-UHFFFAOYSA-N 0 0 199.706 2.543 10 0 AFAERN CC1=C[C@H](O)CC[C@@H]2CCCC2=C1 308182426 572911073 /nfs/dbraw/zinc/91/10/73/572911073.db2.gz DJBRTLRHUSEJKY-CMPLNLGQSA-N 0 0 178.275 2.814 10 0 AFAERN C1=C[C@@]23CCC[C@]2(CC1)C3 96347680 572910996 /nfs/dbraw/zinc/91/09/96/572910996.db2.gz WIFBEXHOHTVPTE-VHSXEESVSA-N 0 0 134.222 2.897 10 0 AFAERN CC1=C[C@@H](O)CC[C@@H]2CCCC2=C1 308182427 572911049 /nfs/dbraw/zinc/91/10/49/572911049.db2.gz DJBRTLRHUSEJKY-JQWIXIFHSA-N 0 0 178.275 2.814 10 0 AFAERN CNC(=S)c1cc(Cl)ccc1C 75856542 572911381 /nfs/dbraw/zinc/91/13/81/572911381.db2.gz YYFDUPLHFPJTGF-UHFFFAOYSA-N 0 0 199.706 2.543 10 0 AFAERN Cc1coc(-c2ccc(C=O)s2)n1 75878599 572911103 /nfs/dbraw/zinc/91/11/03/572911103.db2.gz NFXAKLZOLMFYEU-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1cccc(C)c1-c1ccc(N)nc1 75878029 572911636 /nfs/dbraw/zinc/91/16/36/572911636.db2.gz NVLPDIURWSBCAD-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(C)n1[C@H]1CCO[C@H](C)C1 235400141 572911778 /nfs/dbraw/zinc/91/17/78/572911778.db2.gz YJCUUIVKPZFRNT-NEPJUHHUSA-N 0 0 193.290 2.845 10 0 AFAERN C/C=C/C=C/C=C/[C@H](O)C(C)C 238000956 572912011 /nfs/dbraw/zinc/91/20/11/572912011.db2.gz CKBOBVSEGAVGPK-ZQNWTHOMSA-N 0 0 166.264 2.692 10 0 AFAERN CCCCC(=O)CC[C@H]1CCCO1 86314993 572912019 /nfs/dbraw/zinc/91/20/19/572912019.db2.gz ASGMQNRHIXAWGA-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN C/C=C/CC(C/C=C/C)O[C@@H](C)O 238008369 572912587 /nfs/dbraw/zinc/91/25/87/572912587.db2.gz ZCHDJTUKFSNLBA-RFPIMEFYSA-N 0 0 184.279 2.642 10 0 AFAERN Cc1cn(CCOC(C)C)cc1C 308181928 572912145 /nfs/dbraw/zinc/91/21/45/572912145.db2.gz HQCDMBXYQRHLBP-UHFFFAOYSA-N 0 0 181.279 2.530 10 0 AFAERN CCCc1c(N)n[nH]c1CC(C)(C)C 86314510 572912161 /nfs/dbraw/zinc/91/21/61/572912161.db2.gz GXLOBDJHCSQCBR-UHFFFAOYSA-N 0 0 195.310 2.533 10 0 AFAERN CC(C)CONC(C(C)C)C(C)C 308181736 572912288 /nfs/dbraw/zinc/91/22/88/572912288.db2.gz DBHQRXMFPXJGOU-UHFFFAOYSA-N 0 0 187.327 2.844 10 0 AFAERN CCCCC[C@@H](O)c1coc(C)n1 308185767 572912431 /nfs/dbraw/zinc/91/24/31/572912431.db2.gz JMRWEKYFRLCXJK-SNVBAGLBSA-N 0 0 183.251 2.597 10 0 AFAERN CCCc1c(N)n[nH]c1C(C)(C)CC 86314548 572912467 /nfs/dbraw/zinc/91/24/67/572912467.db2.gz FQCCOSYBTSIGEU-UHFFFAOYSA-N 0 0 195.310 2.632 10 0 AFAERN C/C=C/C=C/[C@H](O)C[Si](C)(C)C 238005728 572912478 /nfs/dbraw/zinc/91/24/78/572912478.db2.gz GWVHVSLKZLTTHU-DOYBTKHBSA-N 0 0 184.355 2.818 10 0 AFAERN Cc1ccc(F)c(-c2nccn2C)c1 75899073 572912512 /nfs/dbraw/zinc/91/25/12/572912512.db2.gz OLBDGDAAFXHPTI-UHFFFAOYSA-N 0 0 190.221 2.535 10 0 AFAERN Cc1[nH]nc2c(C)c(Cl)ccc12 75883954 572912549 /nfs/dbraw/zinc/91/25/49/572912549.db2.gz AYLFMYYSYTZXHY-UHFFFAOYSA-N 0 0 180.638 2.833 10 0 AFAERN C/C=C/C=C/[C@@H](O)C[Si](C)(C)C 238003562 572912596 /nfs/dbraw/zinc/91/25/96/572912596.db2.gz GWVHVSLKZLTTHU-YEHZPGOWSA-N 0 0 184.355 2.818 10 0 AFAERN C/C=C/C=C/[C@@H](C)CCCO 238002379 572912651 /nfs/dbraw/zinc/91/26/51/572912651.db2.gz PNRLROQKUWWZLU-RADZDGHVSA-N 0 0 154.253 2.527 10 0 AFAERN C/C=C/C=C/COCCCCCCO 238001593 572912673 /nfs/dbraw/zinc/91/26/73/572912673.db2.gz AXAQRZXDFDLKRG-CRBCFSCISA-N 0 0 198.306 2.688 10 0 AFAERN CCCCC(=O)c1ccnn1CCC 86315013 572912720 /nfs/dbraw/zinc/91/27/20/572912720.db2.gz INMJJDXWUVIABA-UHFFFAOYSA-N 0 0 194.278 2.666 10 0 AFAERN COCCC[C@@](C)(O)CCC(C)C 308187927 572912740 /nfs/dbraw/zinc/91/27/40/572912740.db2.gz LGYQIAQNLQHQFF-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN Cc1cccc(-c2ncc[nH]2)c1F 75898978 572912768 /nfs/dbraw/zinc/91/27/68/572912768.db2.gz KOULEZWGNQKUMP-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN COCCC[C@](C)(O)CCC(C)C 308187928 572912914 /nfs/dbraw/zinc/91/29/14/572912914.db2.gz LGYQIAQNLQHQFF-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN C/C=C/C=C/C(C)(C)CCCO 238000166 572913053 /nfs/dbraw/zinc/91/30/53/572913053.db2.gz APHPJJXWOYUJMJ-DVBIZMGNSA-N 0 0 168.280 2.917 10 0 AFAERN CCCCC(=O)c1ccc(C)nc1 86315024 572913156 /nfs/dbraw/zinc/91/31/56/572913156.db2.gz KEKLBGVKNJCMLB-UHFFFAOYSA-N 0 0 177.247 2.763 10 0 AFAERN CC[C@@H](C)CC(=O)c1coc(C)n1 308186076 572913983 /nfs/dbraw/zinc/91/39/83/572913983.db2.gz JUBPJZOUXUTBEE-SSDOTTSWSA-N 0 0 181.235 2.602 10 0 AFAERN Cc1ccc2[nH]nc(C3CC3)c2c1 75883982 572913190 /nfs/dbraw/zinc/91/31/90/572913190.db2.gz RFEDCPYOGDLTSG-UHFFFAOYSA-N 0 0 172.231 2.749 10 0 AFAERN C/C=C(/C)[C@H](O)CCCc1ccco1 237982124 572913227 /nfs/dbraw/zinc/91/32/27/572913227.db2.gz FELFYPVDYRRHEY-UOLPYZNQSA-N 0 0 194.274 2.929 10 0 AFAERN CCC[C@@H](CC1CCC(C)CC1)NN 388678496 572913300 /nfs/dbraw/zinc/91/33/00/572913300.db2.gz GJWFSKQMUACBHQ-MCIGGMRASA-N 0 0 198.354 2.835 10 0 AFAERN Cc1cccc(-c2nccn2C)c1F 75899071 572913304 /nfs/dbraw/zinc/91/33/04/572913304.db2.gz HZYCIWAEESGLQP-UHFFFAOYSA-N 0 0 190.221 2.535 10 0 AFAERN CCCCC(=O)c1cc(C)cc(N)c1 308185916 572913320 /nfs/dbraw/zinc/91/33/20/572913320.db2.gz FNGBMCSXUBTCKD-UHFFFAOYSA-N 0 0 191.274 2.950 10 0 AFAERN C/C=C/C=C/[C@H](C)CCCO 238004390 572913365 /nfs/dbraw/zinc/91/33/65/572913365.db2.gz PNRLROQKUWWZLU-RQIPFDMGSA-N 0 0 154.253 2.527 10 0 AFAERN Fc1cc(F)c2n[nH]c(C3CC3)c2c1 75884003 572913404 /nfs/dbraw/zinc/91/34/04/572913404.db2.gz RPSMMKUOMTVRMC-UHFFFAOYSA-N 0 0 194.184 2.719 10 0 AFAERN CCON[C@H](C)CC1CCCCC1 689777198 572913429 /nfs/dbraw/zinc/91/34/29/572913429.db2.gz JCLOCIOUHAKJAP-SNVBAGLBSA-N 0 0 185.311 2.886 10 0 AFAERN C/C=C/CC(C/C=C/C)O[C@H](C)O 238008398 572913444 /nfs/dbraw/zinc/91/34/44/572913444.db2.gz ZCHDJTUKFSNLBA-YZABNELQSA-N 0 0 184.279 2.642 10 0 AFAERN CCCCC(=O)c1nccn1CCC 86315053 572913645 /nfs/dbraw/zinc/91/36/45/572913645.db2.gz XOEIYUCMIRFZGH-UHFFFAOYSA-N 0 0 194.278 2.666 10 0 AFAERN CCON[C@@H](C)CC1CCCCC1 689777197 572913785 /nfs/dbraw/zinc/91/37/85/572913785.db2.gz JCLOCIOUHAKJAP-JTQLQIEISA-N 0 0 185.311 2.886 10 0 AFAERN CCCCC(=O)CC[C@@H]1CCCO1 86314992 572913807 /nfs/dbraw/zinc/91/38/07/572913807.db2.gz ASGMQNRHIXAWGA-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN Cc1ccc([C@@H]2CC=CC(=O)O2)cc1 72124735 572913861 /nfs/dbraw/zinc/91/38/61/572913861.db2.gz CDBAYULXOLVSIL-NSHDSACASA-N 0 0 188.226 2.539 10 0 AFAERN CCCc1c(N)n[nH]c1[C@@H](C)C(C)C 86314572 572914192 /nfs/dbraw/zinc/91/41/92/572914192.db2.gz MBPUBKQGWNLDCC-QMMMGPOBSA-N 0 0 195.310 2.704 10 0 AFAERN CCOCC(=O)C(C(C)C)C(C)C 308186307 572914244 /nfs/dbraw/zinc/91/42/44/572914244.db2.gz JYLQGHKAXSZWJF-UHFFFAOYSA-N 0 0 186.295 2.520 10 0 AFAERN CCCc1c(N)n[nH]c1[C@@H](C)CCC 86314567 572914385 /nfs/dbraw/zinc/91/43/85/572914385.db2.gz LWRPTKXMWDQLGE-QMMMGPOBSA-N 0 0 195.310 2.848 10 0 AFAERN CCCc1c(N)n[nH]c1[C@H](C)CCC 86314568 572914692 /nfs/dbraw/zinc/91/46/92/572914692.db2.gz LWRPTKXMWDQLGE-MRVPVSSYSA-N 0 0 195.310 2.848 10 0 AFAERN CCCc1c(N)n[nH]c1C(CC)CC 86314564 572914468 /nfs/dbraw/zinc/91/44/68/572914468.db2.gz ONCVRFMPRKKUAO-UHFFFAOYSA-N 0 0 195.310 2.848 10 0 AFAERN Cc1ccc([C@H]2CC=CC(=O)O2)cc1 72124736 572914538 /nfs/dbraw/zinc/91/45/38/572914538.db2.gz CDBAYULXOLVSIL-LLVKDONJSA-N 0 0 188.226 2.539 10 0 AFAERN CCCCC(=O)CCC1CC1 86315018 572914539 /nfs/dbraw/zinc/91/45/39/572914539.db2.gz VQUHHNXSKBAOJN-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CC[C@H](C)CC(=O)c1coc(C)n1 308186078 572914666 /nfs/dbraw/zinc/91/46/66/572914666.db2.gz JUBPJZOUXUTBEE-ZETCQYMHSA-N 0 0 181.235 2.602 10 0 AFAERN CCCc1c(N)n[nH]c1CCC(C)C 86314512 572914717 /nfs/dbraw/zinc/91/47/17/572914717.db2.gz LZXADZZXOLSAQY-UHFFFAOYSA-N 0 0 195.310 2.533 10 0 AFAERN Cc1ccc(C2(C)OCCO2)cc1C 57488591 572914772 /nfs/dbraw/zinc/91/47/72/572914772.db2.gz JEBMPTPRBXFBNA-UHFFFAOYSA-N 0 0 192.258 2.523 10 0 AFAERN CCCc1c(N)n[nH]c1[C@H](C)C(C)C 86314573 572914938 /nfs/dbraw/zinc/91/49/38/572914938.db2.gz MBPUBKQGWNLDCC-MRVPVSSYSA-N 0 0 195.310 2.704 10 0 AFAERN Cc1cc(C)c(C(C)(C)CO)c(C)c1 57488689 572914967 /nfs/dbraw/zinc/91/49/67/572914967.db2.gz SQFVCFYTHHJQRQ-UHFFFAOYSA-N 0 0 192.302 2.882 10 0 AFAERN CCCCCc1[nH]nc(N)c1CCC 86314541 572914980 /nfs/dbraw/zinc/91/49/80/572914980.db2.gz DAGBWZTYCHFJEM-UHFFFAOYSA-N 0 0 195.310 2.677 10 0 AFAERN C/C=C/Cc1ccc2[nH]c(=O)ccc2c1 238022939 572914984 /nfs/dbraw/zinc/91/49/84/572914984.db2.gz JXKQPZSGRUFNOU-NSCUHMNNSA-N 0 0 199.253 2.647 10 0 AFAERN C/C(=C\CO)Sc1ccccc1 211562798 572915023 /nfs/dbraw/zinc/91/50/23/572915023.db2.gz LKIOKQWPUXUIML-VQHVLOKHSA-N 0 0 180.272 2.675 10 0 AFAERN C/C=C/[C@@H](C)[C@H](O)Cc1ccccc1 238027632 572915089 /nfs/dbraw/zinc/91/50/89/572915089.db2.gz OJILLQWMEYPDAI-OMCWZWAOSA-N 0 0 190.286 2.802 10 0 AFAERN C=C/C=C/CCC(=O)[C@@H]1CO[C@H](C)C1 713633753 572915377 /nfs/dbraw/zinc/91/53/77/572915377.db2.gz NHPXITMKHLOGOT-ZJRFNNFUSA-N 0 0 194.274 2.503 10 0 AFAERN CCc1ccoc1Br 72191905 572915210 /nfs/dbraw/zinc/91/52/10/572915210.db2.gz IKTQTMYKKIZDTB-UHFFFAOYSA-N 0 0 175.025 2.605 10 0 AFAERN CCC[C@H](CO)c1ccccc1C 86337201 572915238 /nfs/dbraw/zinc/91/52/38/572915238.db2.gz HUVCRIKAHBQZSF-LLVKDONJSA-N 0 0 178.275 2.871 10 0 AFAERN C=C/C=C/CCC(=O)[C@@H]1CO[C@@H](C)C1 713633750 572915259 /nfs/dbraw/zinc/91/52/59/572915259.db2.gz NHPXITMKHLOGOT-NNOMMRTBSA-N 0 0 194.274 2.503 10 0 AFAERN CCCCC(=O)c1cnccc1C 86315073 572915486 /nfs/dbraw/zinc/91/54/86/572915486.db2.gz MZYKAIMPFPURRM-UHFFFAOYSA-N 0 0 177.247 2.763 10 0 AFAERN CC(C)=Cc1ccccn1 72231211 572915554 /nfs/dbraw/zinc/91/55/54/572915554.db2.gz MFJGKANGMGVDQC-UHFFFAOYSA-N 0 0 133.194 2.505 10 0 AFAERN C/C=C(/C)C(OCCCO)/C(C)=C/C 237990031 572915630 /nfs/dbraw/zinc/91/56/30/572915630.db2.gz XOIZTNOYYUURBG-JZKFVHIFSA-N 0 0 198.306 2.686 10 0 AFAERN c1ccc(-c2occ3c2C[NH2+]CC3)cc1 238046978 572915690 /nfs/dbraw/zinc/91/56/90/572915690.db2.gz MYQQCYGMRRCGMR-UHFFFAOYSA-N 0 0 199.253 2.592 10 0 AFAERN C=C/C=C\CCC(=O)[C@@H]1CO[C@@H](C)C1 713633752 572915717 /nfs/dbraw/zinc/91/57/17/572915717.db2.gz NHPXITMKHLOGOT-XXJOZFEBSA-N 0 0 194.274 2.503 10 0 AFAERN CCCCC(=O)c1cncc(F)c1 86315075 572915777 /nfs/dbraw/zinc/91/57/77/572915777.db2.gz HLGUKVSNHYABIJ-UHFFFAOYSA-N 0 0 181.210 2.594 10 0 AFAERN C=C/C(Cc1ccccc1)=C(\C)CO 238042346 572916177 /nfs/dbraw/zinc/91/61/77/572916177.db2.gz BEQCWDDUWWUOBM-QBFSEMIESA-N 0 0 188.270 2.724 10 0 AFAERN Cc1nc(C2(C)CCCC2)c[nH]1 196968076 572916186 /nfs/dbraw/zinc/91/61/86/572916186.db2.gz JZKGUVDKYBHPAH-UHFFFAOYSA-N 0 0 164.252 2.550 10 0 AFAERN C/C(=C\CCC1CCCC1)CO 238043572 572916209 /nfs/dbraw/zinc/91/62/09/572916209.db2.gz YQSYNQJEULEYIV-BJMVGYQFSA-N 0 0 168.280 2.895 10 0 AFAERN CCC[C@@H](CO)c1ccccc1C 86337199 572916257 /nfs/dbraw/zinc/91/62/57/572916257.db2.gz HUVCRIKAHBQZSF-NSHDSACASA-N 0 0 178.275 2.871 10 0 AFAERN CCCC[C@@H](O)CC1CCC1 86315104 572916268 /nfs/dbraw/zinc/91/62/68/572916268.db2.gz VFUHMKNXZJJEMY-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CCCC[C@H](O)CC1CCC1 86315103 572916297 /nfs/dbraw/zinc/91/62/97/572916297.db2.gz VFUHMKNXZJJEMY-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CCCC1=C(C)CCC[C@H]1O 196967973 572916359 /nfs/dbraw/zinc/91/63/59/572916359.db2.gz VZZRVVQVLUHFDL-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cncc(C(C)C)c1 72231362 572916465 /nfs/dbraw/zinc/91/64/65/572916465.db2.gz ZHFRTTBPOPDEKX-UHFFFAOYSA-N 0 0 135.210 2.513 10 0 AFAERN CC[C@H](C)[C@@H]1C[C@@H](C)CCO1 255961740 572916483 /nfs/dbraw/zinc/91/64/83/572916483.db2.gz ADAHKBPTDGLBPM-GUBZILKMSA-N 0 0 156.269 2.848 10 0 AFAERN c1ccc(-c2cc3c([nH]2)CCOC3)cc1 238044980 572916522 /nfs/dbraw/zinc/91/65/22/572916522.db2.gz YJVAURCSNCHISU-UHFFFAOYSA-N 0 0 199.253 2.754 10 0 AFAERN CCC(CC)C(=O)CCCCOC 308188537 572916551 /nfs/dbraw/zinc/91/65/51/572916551.db2.gz HORCYTGZAKDTDR-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN C/C=C(/CCO)CCc1ccccc1 237984842 572916580 /nfs/dbraw/zinc/91/65/80/572916580.db2.gz OFVVCJGNFRRLJB-SWGQDTFXSA-N 0 0 190.286 2.948 10 0 AFAERN C[C@@H]1Nc2ccccc2C(C)(C)O1 196970796 572916635 /nfs/dbraw/zinc/91/66/35/572916635.db2.gz SENWVYTWFYDKTL-MRVPVSSYSA-N 0 0 177.247 2.710 10 0 AFAERN C=C/C=C\CCC(=O)[C@@H]1CO[C@H](C)C1 713633748 572916680 /nfs/dbraw/zinc/91/66/80/572916680.db2.gz NHPXITMKHLOGOT-KWKBKKAHSA-N 0 0 194.274 2.503 10 0 AFAERN CC(C)=Cc1ccncc1 72231249 572916760 /nfs/dbraw/zinc/91/67/60/572916760.db2.gz BGPZFGXKJWDQRU-UHFFFAOYSA-N 0 0 133.194 2.505 10 0 AFAERN C/C=C(\CC)C(=O)O[C@@H](C)C1CC1 308188627 572916907 /nfs/dbraw/zinc/91/69/07/572916907.db2.gz LUQVVVDEYLSZNL-DHFUWRPHSA-N 0 0 182.263 2.684 10 0 AFAERN C1=C[C@H]2C[C@@H]2CCCC1 72230745 572917446 /nfs/dbraw/zinc/91/74/46/572917446.db2.gz DFBZILPYKSEQDY-IUCAKERBSA-N 0 0 122.211 2.753 10 0 AFAERN C1=CCNc2ccccc2C=C1 238047117 572917453 /nfs/dbraw/zinc/91/74/53/572917453.db2.gz MQJPYMUENIHGJH-UHFFFAOYSA-N 0 0 157.216 2.682 10 0 AFAERN C/C=C(/CC)C(=O)O[C@@H](C)C1CC1 308188628 572917554 /nfs/dbraw/zinc/91/75/54/572917554.db2.gz LUQVVVDEYLSZNL-ZKUGPGMGSA-N 0 0 182.263 2.684 10 0 AFAERN CCCCc1ncc([C@@H](C)O)s1 86323456 572917769 /nfs/dbraw/zinc/91/77/69/572917769.db2.gz QATFCCVJBCTCPQ-SSDOTTSWSA-N 0 0 185.292 2.539 10 0 AFAERN C/C(=C/C(C)(C)C)C/C=C/CO 238047040 572917791 /nfs/dbraw/zinc/91/77/91/572917791.db2.gz DGQBBBSZRKPERM-QMRMAQATSA-N 0 0 168.280 2.917 10 0 AFAERN CCCCc1nc([C@@H](C)[NH2+]C)cs1 86323309 572917955 /nfs/dbraw/zinc/91/79/55/572917955.db2.gz ULBHNZPBPHJBHV-MRVPVSSYSA-N 0 0 198.335 2.766 10 0 AFAERN CC[C@H](C)C[C@](C)(O)C(F)(F)F 116704162 572917996 /nfs/dbraw/zinc/91/79/96/572917996.db2.gz GBKICYOHTYOWBT-BQBZGAKWSA-N 0 0 184.201 2.736 10 0 AFAERN CCCCc1ncc([C@H](C)[NH2+]C)s1 86323288 572918015 /nfs/dbraw/zinc/91/80/15/572918015.db2.gz VLYAKYDUGXILPH-QMMMGPOBSA-N 0 0 198.335 2.766 10 0 AFAERN CCCCc1ncc([C@@H](C)[NH3+])s1 86323279 572918053 /nfs/dbraw/zinc/91/80/53/572918053.db2.gz QPSRRPIWNBEXMX-SSDOTTSWSA-N 0 0 184.308 2.505 10 0 AFAERN CCCCc1nc([C@H](C)O)cs1 86323466 572918125 /nfs/dbraw/zinc/91/81/25/572918125.db2.gz GVPRAXKQVATPOZ-ZETCQYMHSA-N 0 0 185.292 2.539 10 0 AFAERN CCCCc1nc(C)c([C@@H](C)[NH3+])s1 86323219 572918139 /nfs/dbraw/zinc/91/81/39/572918139.db2.gz OFMJIWVPVAWIMZ-SSDOTTSWSA-N 0 0 198.335 2.814 10 0 AFAERN CCCCc1nc([C@@H](C)O)cs1 86323461 572918168 /nfs/dbraw/zinc/91/81/68/572918168.db2.gz GVPRAXKQVATPOZ-SSDOTTSWSA-N 0 0 185.292 2.539 10 0 AFAERN CCCCc1nc(C)c([C@H](C)[NH3+])s1 86323220 572918186 /nfs/dbraw/zinc/91/81/86/572918186.db2.gz OFMJIWVPVAWIMZ-ZETCQYMHSA-N 0 0 198.335 2.814 10 0 AFAERN c1nc2c(ccc3[nH]c4c(c32)CCC4)[nH]1 238054158 572918192 /nfs/dbraw/zinc/91/81/92/572918192.db2.gz TZXLUNDCJSDFCV-UHFFFAOYSA-N 0 0 197.241 2.533 10 0 AFAERN CCCc1c(N)noc1C(C)(C)CC 86326300 572920266 /nfs/dbraw/zinc/92/02/66/572920266.db2.gz JTAXEICFHOKWEW-UHFFFAOYSA-N 0 0 196.294 2.897 10 0 AFAERN c1ccc(-c2nc[nH]c2C2CCC2)nc1 238055755 572918238 /nfs/dbraw/zinc/91/82/38/572918238.db2.gz VHLOXGWDORQVRG-UHFFFAOYSA-N 0 0 199.257 2.739 10 0 AFAERN C/C=C/[C@H](O)[C@H](C)/C=C/[Si](C)(C)C 238058852 572918247 /nfs/dbraw/zinc/91/82/47/572918247.db2.gz LBIGWNRCOVYGTC-PBUYNMSNSA-N 0 0 198.382 2.993 10 0 AFAERN CCC[C@H](C)[C@H](O)CCCCOC 308189490 572918286 /nfs/dbraw/zinc/91/82/86/572918286.db2.gz IEHHUHVPJOVYQE-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN Cc1cc(N[C@@H](C)C2CC2)ccc1N 57530611 572918332 /nfs/dbraw/zinc/91/83/32/572918332.db2.gz UUNRZXNMJBFELX-VIFPVBQESA-N 0 0 190.290 2.788 10 0 AFAERN CCCCc1nc(C)c([C@H](C)O)s1 86323443 572918334 /nfs/dbraw/zinc/91/83/34/572918334.db2.gz XKPUOOVZRBNDLX-QMMMGPOBSA-N 0 0 199.319 2.847 10 0 AFAERN CCCCCC[C@@H](O)C1=COCC1 308189527 572918355 /nfs/dbraw/zinc/91/83/55/572918355.db2.gz IHOVDHVOWZCYQL-LLVKDONJSA-N 0 0 184.279 2.622 10 0 AFAERN C/C=C/[C@H](C)[C@H](O)Cc1ccccc1 238051254 572918404 /nfs/dbraw/zinc/91/84/04/572918404.db2.gz OJILLQWMEYPDAI-LXDSGBGESA-N 0 0 190.286 2.802 10 0 AFAERN C/C=C/c1c(C)c2ccccc2[nH]c1=O 238068822 572918909 /nfs/dbraw/zinc/91/89/09/572918909.db2.gz BVSWIKUTXHSFBF-ZZXKWVIFSA-N 0 0 199.253 2.870 10 0 AFAERN Cc1cc(N[C@H](C)C2CC2)ccc1N 57530613 572918541 /nfs/dbraw/zinc/91/85/41/572918541.db2.gz UUNRZXNMJBFELX-SECBINFHSA-N 0 0 190.290 2.788 10 0 AFAERN CC[C@@H](CCc1ccncc1)C(C)=O 86353885 572920275 /nfs/dbraw/zinc/92/02/75/572920275.db2.gz DLUFBPSVFHTDBC-LBPRGKRZSA-N 0 0 191.274 2.629 10 0 AFAERN CCCCc1ncc([C@@H](C)[NH2+]C)s1 86323285 572918587 /nfs/dbraw/zinc/91/85/87/572918587.db2.gz VLYAKYDUGXILPH-MRVPVSSYSA-N 0 0 198.335 2.766 10 0 AFAERN CCCCc1nc([C@H](C)[NH2+]C)cs1 86323310 572918602 /nfs/dbraw/zinc/91/86/02/572918602.db2.gz ULBHNZPBPHJBHV-QMMMGPOBSA-N 0 0 198.335 2.766 10 0 AFAERN CCCCc1ncc([C@H](C)[NH3+])s1 86323282 572918626 /nfs/dbraw/zinc/91/86/26/572918626.db2.gz QPSRRPIWNBEXMX-ZETCQYMHSA-N 0 0 184.308 2.505 10 0 AFAERN CCCCc1ncc(C(C)=O)s1 86323211 572918641 /nfs/dbraw/zinc/91/86/41/572918641.db2.gz FIGRZQLGBNQJIE-UHFFFAOYSA-N 0 0 183.276 2.688 10 0 AFAERN CC[C@@H](C)C[C@](C)(O)C(F)(F)F 116704159 572918653 /nfs/dbraw/zinc/91/86/53/572918653.db2.gz GBKICYOHTYOWBT-RQJHMYQMSA-N 0 0 184.201 2.736 10 0 AFAERN C/C=C/[C@H](O)CCCc1ccco1 238056095 572918746 /nfs/dbraw/zinc/91/87/46/572918746.db2.gz IJSZMLLBTJYCCN-FWYAXHSGSA-N 0 0 180.247 2.539 10 0 AFAERN CCCCc1nc([C@H](C)[NH3+])cs1 86323306 572918973 /nfs/dbraw/zinc/91/89/73/572918973.db2.gz SLISIULUZBWNDT-ZETCQYMHSA-N 0 0 184.308 2.505 10 0 AFAERN CCCCc1noc(NC(C)(C)C)n1 86323882 572918999 /nfs/dbraw/zinc/91/89/99/572918999.db2.gz JCEOTURDMPKQRV-UHFFFAOYSA-N 0 0 197.282 2.623 10 0 AFAERN CCCCc1ncc(C[NH2+]CC)s1 86323246 572919013 /nfs/dbraw/zinc/91/90/13/572919013.db2.gz UOOBECOLMPZTKV-UHFFFAOYSA-N 0 0 198.335 2.595 10 0 AFAERN CCCCc1ncc([C@H](C)O)s1 86323459 572919019 /nfs/dbraw/zinc/91/90/19/572919019.db2.gz QATFCCVJBCTCPQ-ZETCQYMHSA-N 0 0 185.292 2.539 10 0 AFAERN CCC[C@@H](C)[C@H](O)CCCCOC 308189487 572919033 /nfs/dbraw/zinc/91/90/33/572919033.db2.gz IEHHUHVPJOVYQE-GHMZBOCLSA-N 0 0 188.311 2.600 10 0 AFAERN C/C=C(/C)CC/C=C/CCO 238060479 572919039 /nfs/dbraw/zinc/91/90/39/572919039.db2.gz UYKSUPVLFVKXSE-IMXHIACISA-N 0 0 154.253 2.671 10 0 AFAERN CCCCc1nc(C[NH2+]CC)cs1 86323341 572919115 /nfs/dbraw/zinc/91/91/15/572919115.db2.gz JLBVICLQXRXLHZ-UHFFFAOYSA-N 0 0 198.335 2.595 10 0 AFAERN CC(C)(C)CCC[NH2+]Cc1cnco1 313276701 572920289 /nfs/dbraw/zinc/92/02/89/572920289.db2.gz YXHQKDUETBNEBY-UHFFFAOYSA-N 0 0 196.294 2.591 10 0 AFAERN CC[C@@H](C)C[C@@](C)(O)C(F)(F)F 116704155 572919168 /nfs/dbraw/zinc/91/91/68/572919168.db2.gz GBKICYOHTYOWBT-RNFRBKRXSA-N 0 0 184.201 2.736 10 0 AFAERN CCCCCC[C@H](O)C1=COCC1 308189528 572919228 /nfs/dbraw/zinc/91/92/28/572919228.db2.gz IHOVDHVOWZCYQL-NSHDSACASA-N 0 0 184.279 2.622 10 0 AFAERN CCCCc1nc([C@@H](C)[NH3+])cs1 86323304 572919397 /nfs/dbraw/zinc/91/93/97/572919397.db2.gz SLISIULUZBWNDT-SSDOTTSWSA-N 0 0 184.308 2.505 10 0 AFAERN c1cc2[nH]c3c(c2c2n[nH]cc12)CCC3 238054209 572919414 /nfs/dbraw/zinc/91/94/14/572919414.db2.gz ZQRHQUQVKNKTTG-UHFFFAOYSA-N 0 0 197.241 2.533 10 0 AFAERN CCCCc1nc(C)c(C[NH2+]C)s1 86323838 572919489 /nfs/dbraw/zinc/91/94/89/572919489.db2.gz SFVXXOZOOHMTHU-UHFFFAOYSA-N 0 0 198.335 2.514 10 0 AFAERN c1cncc(-c2nc[nH]c2C2CCC2)c1 238055796 572919552 /nfs/dbraw/zinc/91/95/52/572919552.db2.gz QIZQIVFWXXSMJR-UHFFFAOYSA-N 0 0 199.257 2.739 10 0 AFAERN CC[C@H](C)C[C@@](C)(O)C(F)(F)F 116704158 572919563 /nfs/dbraw/zinc/91/95/63/572919563.db2.gz GBKICYOHTYOWBT-NKWVEPMBSA-N 0 0 184.201 2.736 10 0 AFAERN c1cc(-c2nc[nH]c2C2CCC2)ccn1 238055842 572919641 /nfs/dbraw/zinc/91/96/41/572919641.db2.gz ZQBUXSAMMUSQIR-UHFFFAOYSA-N 0 0 199.257 2.739 10 0 AFAERN CC[C@@H](Cc1cccc(C)n1)C(C)=O 86353726 572921075 /nfs/dbraw/zinc/92/10/75/572921075.db2.gz RIAIZPTUQLVALB-NSHDSACASA-N 0 0 191.274 2.548 10 0 AFAERN C/C=C/[C@H](O)C/C=C/[Si](C)(C)C 238054849 572919729 /nfs/dbraw/zinc/91/97/29/572919729.db2.gz NQKRDDYDONHREB-NXMPLNPZSA-N 0 0 184.355 2.747 10 0 AFAERN CCCc1c(N)noc1CCC(C)C 86326263 572919784 /nfs/dbraw/zinc/91/97/84/572919784.db2.gz LTXQWTOUTIVKEJ-UHFFFAOYSA-N 0 0 196.294 2.798 10 0 AFAERN CC[C@H](CCC1CC1)C(C)=O 86353716 572919813 /nfs/dbraw/zinc/91/98/13/572919813.db2.gz IIEXQUARMOMICR-SNVBAGLBSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](CCOC(F)(F)F)C(C)=O 86353928 572919843 /nfs/dbraw/zinc/91/98/43/572919843.db2.gz UQMCOVMRERVGEG-ZETCQYMHSA-N 0 0 198.184 2.528 10 0 AFAERN C/C=C/[C@H](O)CCCc1ccc(C)o1 238056067 572919855 /nfs/dbraw/zinc/91/98/55/572919855.db2.gz IETJDEVMYWXULG-TZNOJPMFSA-N 0 0 194.274 2.848 10 0 AFAERN C[C@@H]1C[C@@](O)(C2=CCCCC2)CS1 235410701 572920309 /nfs/dbraw/zinc/92/03/09/572920309.db2.gz BLAZRNYAQHAOPC-KOLCDFICSA-N 0 0 198.331 2.743 10 0 AFAERN CCCCc1nsc(NC(C)C)n1 86326036 572920313 /nfs/dbraw/zinc/92/03/13/572920313.db2.gz MIYBNOHUFUOGGK-UHFFFAOYSA-N 0 0 199.323 2.701 10 0 AFAERN C/C=C/[C@H](C)[C@@H](O)Cc1ccccc1 238050508 572920008 /nfs/dbraw/zinc/92/00/08/572920008.db2.gz OJILLQWMEYPDAI-TWICZNDLSA-N 0 0 190.286 2.802 10 0 AFAERN CC[C@H](C[C@H]1CCCCO1)C(C)=O 86353814 572920012 /nfs/dbraw/zinc/92/00/12/572920012.db2.gz ZRSWKVUJNVHFOD-GHMZBOCLSA-N 0 0 184.279 2.561 10 0 AFAERN C/C=C(/C)CCCCCCO 238059777 572920047 /nfs/dbraw/zinc/92/00/47/572920047.db2.gz GLZCILQXECHDQF-KMKOMSMNSA-N 0 0 156.269 2.895 10 0 AFAERN CC[C@H](CCc1ccncc1)C(C)=O 86353886 572920323 /nfs/dbraw/zinc/92/03/23/572920323.db2.gz DLUFBPSVFHTDBC-GFCCVEGCSA-N 0 0 191.274 2.629 10 0 AFAERN CCC[C@@H](C)[C@@H](O)CCCCOC 308189488 572920167 /nfs/dbraw/zinc/92/01/67/572920167.db2.gz IEHHUHVPJOVYQE-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN C[C@H]1CCC(=O)[C@H](CCCCCO)C1 86355138 572920177 /nfs/dbraw/zinc/92/01/77/572920177.db2.gz HJPVZVNJYMXHEZ-WDEREUQCSA-N 0 0 198.306 2.544 10 0 AFAERN CCC[C@H](C)[C@@H](O)CCCCOC 308189489 572920179 /nfs/dbraw/zinc/92/01/79/572920179.db2.gz IEHHUHVPJOVYQE-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@H](C[C@@H]1CCCCO1)C(C)=O 86353810 572920186 /nfs/dbraw/zinc/92/01/86/572920186.db2.gz ZRSWKVUJNVHFOD-MNOVXSKESA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H](CCc1cccnc1)C(C)=O 86353712 572920188 /nfs/dbraw/zinc/92/01/88/572920188.db2.gz WSRQNWCXZOCCQH-GFCCVEGCSA-N 0 0 191.274 2.629 10 0 AFAERN CC[C@H]1CCC(=O)[C@H](CCCCO)C1 86355403 572920205 /nfs/dbraw/zinc/92/02/05/572920205.db2.gz FRWVCYWZDLTSQR-WDEREUQCSA-N 0 0 198.306 2.544 10 0 AFAERN CC[C@@H](CCc1ccccn1)C(C)=O 86353593 572920331 /nfs/dbraw/zinc/92/03/31/572920331.db2.gz PCYWKMFBIJTHJT-NSHDSACASA-N 0 0 191.274 2.629 10 0 AFAERN CCCCc1nsc(NCCC)n1 86326033 572920239 /nfs/dbraw/zinc/92/02/39/572920239.db2.gz QHIUJZRUOMBISR-UHFFFAOYSA-N 0 0 199.323 2.703 10 0 AFAERN CC[C@@H](Cc1cnc(C)s1)C(C)=O 86353658 572920254 /nfs/dbraw/zinc/92/02/54/572920254.db2.gz FYYPBINJXXOOBE-VIFPVBQESA-N 0 0 197.303 2.609 10 0 AFAERN CCCCCc1onc(N)c1CCC 86326294 572920256 /nfs/dbraw/zinc/92/02/56/572920256.db2.gz BGLOBIWVSPMFAN-UHFFFAOYSA-N 0 0 196.294 2.942 10 0 AFAERN CCC[C@@H]1CCC(=O)[C@@H](C[C@@H](C)O)C1 86355611 572920389 /nfs/dbraw/zinc/92/03/89/572920389.db2.gz QMQVVOPXYASJAB-MXWKQRLJSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](CCc1ccccn1)C(C)=O 86353595 572920516 /nfs/dbraw/zinc/92/05/16/572920516.db2.gz PCYWKMFBIJTHJT-LLVKDONJSA-N 0 0 191.274 2.629 10 0 AFAERN CCCCc1onc(N)c1CCC 86326210 572920543 /nfs/dbraw/zinc/92/05/43/572920543.db2.gz ZKJQNJYAGWZKON-UHFFFAOYSA-N 0 0 182.267 2.552 10 0 AFAERN CC[C@H]1CCC(=O)[C@@H](CCCCO)C1 86355407 572920631 /nfs/dbraw/zinc/92/06/31/572920631.db2.gz FRWVCYWZDLTSQR-QWRGUYRKSA-N 0 0 198.306 2.544 10 0 AFAERN O=C1CCCCC[C@@H]1CCCCCO 86354743 572920691 /nfs/dbraw/zinc/92/06/91/572920691.db2.gz WZAVECYYJDFQOR-LLVKDONJSA-N 0 0 198.306 2.689 10 0 AFAERN CC[C@@H](C[C@@H]1CCCCO1)C(C)=O 86353808 572920901 /nfs/dbraw/zinc/92/09/01/572920901.db2.gz ZRSWKVUJNVHFOD-QWRGUYRKSA-N 0 0 184.279 2.561 10 0 AFAERN COCC(=O)CC1C[C@H](C)C[C@@H](C)C1 86355980 572920702 /nfs/dbraw/zinc/92/07/02/572920702.db2.gz IKCJTBBDFINOTH-NXEZZACHSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@@H](CC1(O)CCCCC1)C(C)=O 86353912 572920747 /nfs/dbraw/zinc/92/07/47/572920747.db2.gz OZHGAPRAPKLSIK-NSHDSACASA-N 0 0 198.306 2.687 10 0 AFAERN CCC[C@@H]1CCC(=O)[C@@H](CCCO)C1 86355697 572920751 /nfs/dbraw/zinc/92/07/51/572920751.db2.gz OSMANVHZRQNCES-MNOVXSKESA-N 0 0 198.306 2.544 10 0 AFAERN CC(C)C(=O)CCCOC(F)(F)F 86353239 572920754 /nfs/dbraw/zinc/92/07/54/572920754.db2.gz USXGQRRFFSYCRJ-UHFFFAOYSA-N 0 0 198.184 2.528 10 0 AFAERN CC[C@H](C(C)=O)[C@H]1CCC[C@H](OC)C1 86353686 572920761 /nfs/dbraw/zinc/92/07/61/572920761.db2.gz YFRPKGFKOJYXPP-SDDRHHMPSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H]1CCC(=O)[C@@H](CCCCO)C1 86355405 572920767 /nfs/dbraw/zinc/92/07/67/572920767.db2.gz FRWVCYWZDLTSQR-MNOVXSKESA-N 0 0 198.306 2.544 10 0 AFAERN CCC[C@@H]1CCC(=O)[C@H](C[C@@H](C)O)C1 86355607 572920774 /nfs/dbraw/zinc/92/07/74/572920774.db2.gz QMQVVOPXYASJAB-GMTAPVOTSA-N 0 0 198.306 2.543 10 0 AFAERN CCCc1c(N)noc1[C@H](C)CC 86326244 572920784 /nfs/dbraw/zinc/92/07/84/572920784.db2.gz JARVNAZCTYZMKS-SSDOTTSWSA-N 0 0 182.267 2.723 10 0 AFAERN CC[C@@H]1CCC(=O)[C@H]([C@@H](C)COC)C1 86355285 572920794 /nfs/dbraw/zinc/92/07/94/572920794.db2.gz QUEOHNIWHNYIAV-AXFHLTTASA-N 0 0 198.306 2.664 10 0 AFAERN CC(C)C(=O)CC[C@@H]1CCCCO1 86353171 572920853 /nfs/dbraw/zinc/92/08/53/572920853.db2.gz LHBRHMWQNHYFQB-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN COCC(=O)CC1C[C@@H](C)C[C@H](C)C1 86355977 572920867 /nfs/dbraw/zinc/92/08/67/572920867.db2.gz IKCJTBBDFINOTH-UWVGGRQHSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@H](Cc1cnc(C)s1)C(C)=O 86353660 572920904 /nfs/dbraw/zinc/92/09/04/572920904.db2.gz FYYPBINJXXOOBE-SECBINFHSA-N 0 0 197.303 2.609 10 0 AFAERN CCC[C@H]1CCC(=O)[C@@H](CCCO)C1 86355699 572920991 /nfs/dbraw/zinc/92/09/91/572920991.db2.gz OSMANVHZRQNCES-QWRGUYRKSA-N 0 0 198.306 2.544 10 0 AFAERN CC[C@@H](CCc1cccnc1)C(C)=O 86353710 572921019 /nfs/dbraw/zinc/92/10/19/572921019.db2.gz WSRQNWCXZOCCQH-LBPRGKRZSA-N 0 0 191.274 2.629 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1CC(=O)COC 86356012 572921051 /nfs/dbraw/zinc/92/10/51/572921051.db2.gz KYMPQXZRGBSPHI-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN COc1ccc2c(c1Cl)N[C@H](C)C2 713776437 572921057 /nfs/dbraw/zinc/92/10/57/572921057.db2.gz XLLNXIVOLRKSNC-ZCFIWIBFSA-N 0 0 197.665 2.705 10 0 AFAERN CCC[C@H]1CCC(=O)[C@H](CCCO)C1 86355695 572921066 /nfs/dbraw/zinc/92/10/66/572921066.db2.gz OSMANVHZRQNCES-WDEREUQCSA-N 0 0 198.306 2.544 10 0 AFAERN C[C@H]1CCC(=O)[C@@H](CCCCCO)C1 86355142 572921070 /nfs/dbraw/zinc/92/10/70/572921070.db2.gz HJPVZVNJYMXHEZ-QWRGUYRKSA-N 0 0 198.306 2.544 10 0 AFAERN CC[C@@H]1CCC(=O)[C@H](CCCCO)C1 86355402 572921099 /nfs/dbraw/zinc/92/10/99/572921099.db2.gz FRWVCYWZDLTSQR-GHMZBOCLSA-N 0 0 198.306 2.544 10 0 AFAERN CCCc1c(N)noc1CC(C)(C)C 86326219 572921120 /nfs/dbraw/zinc/92/11/20/572921120.db2.gz YNSPDIIYFKYJEA-UHFFFAOYSA-N 0 0 196.294 2.798 10 0 AFAERN CCC1CCC(CC(=O)COC)CC1 86355956 572921127 /nfs/dbraw/zinc/92/11/27/572921127.db2.gz ZPVKZACDMJWPOX-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](CCCCCO)C1 86355140 572921182 /nfs/dbraw/zinc/92/11/82/572921182.db2.gz HJPVZVNJYMXHEZ-MNOVXSKESA-N 0 0 198.306 2.544 10 0 AFAERN CCCc1c(N)noc1[C@H](C)C(C)C 86326161 572921196 /nfs/dbraw/zinc/92/11/96/572921196.db2.gz RVBCKVBGKUPDGE-MRVPVSSYSA-N 0 0 196.294 2.969 10 0 AFAERN CC(=O)[C@@H](C)CCc1scnc1C 86353270 572921209 /nfs/dbraw/zinc/92/12/09/572921209.db2.gz AIIAUJDFCLKAES-ZETCQYMHSA-N 0 0 197.303 2.609 10 0 AFAERN CC[C@H]1CCCC[C@@H]1CC(=O)COC 86356014 572921217 /nfs/dbraw/zinc/92/12/17/572921217.db2.gz KYMPQXZRGBSPHI-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CCCCCC(=O)OC[C@@H]1C[C@H]1C 221565767 572921295 /nfs/dbraw/zinc/92/12/95/572921295.db2.gz GWAWGFHBVXVAPN-ZJUUUORDSA-N 0 0 184.279 2.766 10 0 AFAERN CC[C@@H](CCC1CC1)C(C)=O 86353714 572921333 /nfs/dbraw/zinc/92/13/33/572921333.db2.gz IIEXQUARMOMICR-JTQLQIEISA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](CCC(F)(F)F)C(C)=O 86353731 572921336 /nfs/dbraw/zinc/92/13/36/572921336.db2.gz WOUANFCIPDCLEB-SSDOTTSWSA-N 0 0 182.185 2.944 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](CCCCCO)C1 86355136 572921340 /nfs/dbraw/zinc/92/13/40/572921340.db2.gz HJPVZVNJYMXHEZ-GHMZBOCLSA-N 0 0 198.306 2.544 10 0 AFAERN O=C1CCCCC[C@H]1CCCCCO 86354745 572921370 /nfs/dbraw/zinc/92/13/70/572921370.db2.gz WZAVECYYJDFQOR-NSHDSACASA-N 0 0 198.306 2.689 10 0 AFAERN Cc1cc(Cl)cc([C@H](C)[NH3+])c1F 75925259 572921386 /nfs/dbraw/zinc/92/13/86/572921386.db2.gz DPMRNMMTQYFBDE-LURJTMIESA-N 0 0 187.645 2.807 10 0 AFAERN CC[C@@H]1CCC(=O)[C@@H]([C@@H](C)COC)C1 86355289 572921389 /nfs/dbraw/zinc/92/13/89/572921389.db2.gz QUEOHNIWHNYIAV-HBNTYKKESA-N 0 0 198.306 2.664 10 0 AFAERN CC(C)C(=O)CCC1(O)CCCCC1 86353227 572921396 /nfs/dbraw/zinc/92/13/96/572921396.db2.gz WORBFGMWVOYPCM-UHFFFAOYSA-N 0 0 198.306 2.687 10 0 AFAERN CC(C)C(=O)CC[C@H]1CCCCO1 86353172 572921402 /nfs/dbraw/zinc/92/14/02/572921402.db2.gz LHBRHMWQNHYFQB-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccc2c(c1)[C@H](CO)CC[C@@H]2C 196700831 572921407 /nfs/dbraw/zinc/92/14/07/572921407.db2.gz GWXWUAYDUVZCFN-QWRGUYRKSA-N 0 0 190.286 2.968 10 0 AFAERN CCCc1c(N)noc1[C@@H](C)CC 86326241 572921414 /nfs/dbraw/zinc/92/14/14/572921414.db2.gz JARVNAZCTYZMKS-ZETCQYMHSA-N 0 0 182.267 2.723 10 0 AFAERN CC[C@H](CC1(O)CCCCC1)C(C)=O 86353914 572921419 /nfs/dbraw/zinc/92/14/19/572921419.db2.gz OZHGAPRAPKLSIK-LLVKDONJSA-N 0 0 198.306 2.687 10 0 AFAERN COc1ccc2c(c1Cl)N[C@@H](C)C2 713776436 572921441 /nfs/dbraw/zinc/92/14/41/572921441.db2.gz XLLNXIVOLRKSNC-LURJTMIESA-N 0 0 197.665 2.705 10 0 AFAERN CC[C@H](CCOC(F)(F)F)C(C)=O 86353929 572921454 /nfs/dbraw/zinc/92/14/54/572921454.db2.gz UQMCOVMRERVGEG-SSDOTTSWSA-N 0 0 198.184 2.528 10 0 AFAERN CC[C@@H](C[C@H]1CCCCO1)C(C)=O 86353811 572921472 /nfs/dbraw/zinc/92/14/72/572921472.db2.gz ZRSWKVUJNVHFOD-WDEREUQCSA-N 0 0 184.279 2.561 10 0 AFAERN CC(=O)NC(C)(C)CCC=C(C)C 238069662 572921516 /nfs/dbraw/zinc/92/15/16/572921516.db2.gz YVEQSXNFSXTGSB-UHFFFAOYSA-N 0 0 183.295 2.648 10 0 AFAERN CC[C@@H](CCC(F)(F)F)C(C)=O 86353729 572921528 /nfs/dbraw/zinc/92/15/28/572921528.db2.gz WOUANFCIPDCLEB-ZETCQYMHSA-N 0 0 182.185 2.944 10 0 AFAERN CC[C@H](C(C)=O)[C@@H]1CCC[C@H](OC)C1 86353683 572921542 /nfs/dbraw/zinc/92/15/42/572921542.db2.gz YFRPKGFKOJYXPP-GRYCIOLGSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](Cc1cccc(C)n1)C(C)=O 86353727 572921548 /nfs/dbraw/zinc/92/15/48/572921548.db2.gz RIAIZPTUQLVALB-LLVKDONJSA-N 0 0 191.274 2.548 10 0 AFAERN CCC[C@@H]1CCC(=O)[C@H](CCCO)C1 86355693 572921566 /nfs/dbraw/zinc/92/15/66/572921566.db2.gz OSMANVHZRQNCES-GHMZBOCLSA-N 0 0 198.306 2.544 10 0 AFAERN CC(=O)[C@H](C)CCc1scnc1C 86353268 572921582 /nfs/dbraw/zinc/92/15/82/572921582.db2.gz AIIAUJDFCLKAES-SSDOTTSWSA-N 0 0 197.303 2.609 10 0 AFAERN COc1cc2c(cc1C)CCC=C2 196702573 572921624 /nfs/dbraw/zinc/92/16/24/572921624.db2.gz AFFLHOXUXNCXJD-UHFFFAOYSA-N 0 0 174.243 2.963 10 0 AFAERN CSc1ccc(F)c([C@@H](C)[NH3+])c1 75925225 572921647 /nfs/dbraw/zinc/92/16/47/572921647.db2.gz DMXBSSWYFKRNMD-ZCFIWIBFSA-N 0 0 185.267 2.567 10 0 AFAERN CC1(C)C=C[C@@H](O)c2ccccc21 196704683 572921728 /nfs/dbraw/zinc/92/17/28/572921728.db2.gz CNTFJCPVXWRBCG-LLVKDONJSA-N 0 0 174.243 2.567 10 0 AFAERN CC(C)(C)OCc1ccc(F)c(N)c1 75915356 572921792 /nfs/dbraw/zinc/92/17/92/572921792.db2.gz GAVGFGHSMVWTIS-UHFFFAOYSA-N 0 0 197.253 2.723 10 0 AFAERN CCC(=O)[C@@H](C)C[C@H]1CCCCO1 86356981 572921827 /nfs/dbraw/zinc/92/18/27/572921827.db2.gz QFMZSHHHDCWMKJ-VHSXEESVSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccc2c(c1)[C@H](CO)CC[C@H]2C 196700851 572921845 /nfs/dbraw/zinc/92/18/45/572921845.db2.gz GWXWUAYDUVZCFN-MNOVXSKESA-N 0 0 190.286 2.968 10 0 AFAERN CC(=O)[C@H](C[C@H]1CCCCO1)C(C)C 86356506 572921847 /nfs/dbraw/zinc/92/18/47/572921847.db2.gz MSIJHLALYOSYHD-VXGBXAGGSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)(C)[C@@H](O)CCCC1CC1 86359130 572921865 /nfs/dbraw/zinc/92/18/65/572921865.db2.gz ZDVZQSUYLCMIJE-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN CC(=O)[C@H](Cc1cscn1)C(C)C 86356312 572921868 /nfs/dbraw/zinc/92/18/68/572921868.db2.gz MIZAQISPLHOOEI-SNVBAGLBSA-N 0 0 197.303 2.547 10 0 AFAERN CC[C@@H]1CCCC[C@H]1CC(=O)COC 86356017 572921894 /nfs/dbraw/zinc/92/18/94/572921894.db2.gz KYMPQXZRGBSPHI-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CCC(=O)[C@@H](C)CCc1ccccn1 86356801 572921900 /nfs/dbraw/zinc/92/19/00/572921900.db2.gz IVDVGTNWLBQQLO-JTQLQIEISA-N 0 0 191.274 2.629 10 0 AFAERN CC(=O)[C@H](C[C@@H]1CCCCO1)C(C)C 86356501 572921906 /nfs/dbraw/zinc/92/19/06/572921906.db2.gz MSIJHLALYOSYHD-NWDGAFQWSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)[C@H](C)CC1(O)CCCCC1 86357070 572921912 /nfs/dbraw/zinc/92/19/12/572921912.db2.gz SYVUSZFXXFYVKX-SNVBAGLBSA-N 0 0 198.306 2.687 10 0 AFAERN CC[C@H]1CCCC[C@H]1CC(=O)COC 86356019 572921941 /nfs/dbraw/zinc/92/19/41/572921941.db2.gz KYMPQXZRGBSPHI-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN O[C@H](CCC(F)F)c1ccccc1 86357944 572921948 /nfs/dbraw/zinc/92/19/48/572921948.db2.gz GZBIHZBFBPPTGX-SECBINFHSA-N 0 0 186.201 2.765 10 0 AFAERN CCC(=O)[C@@H](C)CCC(F)(F)F 86356904 572921969 /nfs/dbraw/zinc/92/19/69/572921969.db2.gz VPZFGUPPFKPMNR-LURJTMIESA-N 0 0 182.185 2.944 10 0 AFAERN COCC(=O)C[C@@H]1CC[C@H](C)[C@@H](C)C1 86356050 572922011 /nfs/dbraw/zinc/92/20/11/572922011.db2.gz OHUUDEGAOOHIKJ-GARJFASQSA-N 0 0 198.306 2.664 10 0 AFAERN CCC(=O)[C@H](C)CCC(F)(F)F 86356905 572922013 /nfs/dbraw/zinc/92/20/13/572922013.db2.gz VPZFGUPPFKPMNR-ZCFIWIBFSA-N 0 0 182.185 2.944 10 0 AFAERN CCC[C@H](O)CCC1CCC1 86358940 572922019 /nfs/dbraw/zinc/92/20/19/572922019.db2.gz HQVDYAINHCPSPP-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN O=C1CC=CSc2ccccc21 196701597 572922021 /nfs/dbraw/zinc/92/20/21/572922021.db2.gz SCAQIBQVQOFNIZ-UHFFFAOYSA-N 0 0 176.240 2.879 10 0 AFAERN CO[C@H]1CCC[C@H](CC(=O)C2CC2)C1 86356664 572922029 /nfs/dbraw/zinc/92/20/29/572922029.db2.gz PZWYWOUHPIHSRV-ONGXEEELSA-N 0 0 196.290 2.561 10 0 AFAERN CCC(=O)[C@H](C)CCc1ccccn1 86356804 572922086 /nfs/dbraw/zinc/92/20/86/572922086.db2.gz IVDVGTNWLBQQLO-SNVBAGLBSA-N 0 0 191.274 2.629 10 0 AFAERN CC[C@H](CCC(F)(F)F)[C@H](C)O 86358494 572922103 /nfs/dbraw/zinc/92/21/03/572922103.db2.gz CRVTYPMTWMDWIQ-NKWVEPMBSA-N 0 0 184.201 2.736 10 0 AFAERN CC[C@@H]1CCC[C@@H](CC(=O)COC)C1 86356076 572922152 /nfs/dbraw/zinc/92/21/52/572922152.db2.gz LFAGBDYSNIOEHN-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CCC(=O)[C@@H](C)CCOC(F)(F)F 86357083 572922160 /nfs/dbraw/zinc/92/21/60/572922160.db2.gz LWOXFJMFCOOQPT-LURJTMIESA-N 0 0 198.184 2.528 10 0 AFAERN CC[C@@H](C)OCC(=O)C(C)(C)CC 308190385 572922171 /nfs/dbraw/zinc/92/21/71/572922171.db2.gz IZPWWBAKMSEHQL-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN CCC(=O)[C@@H](C)CCC1CC1 86356887 572922195 /nfs/dbraw/zinc/92/21/95/572922195.db2.gz NTRKEGWMBSZCGC-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1cc(C)c(O)c(C)c1C 196705273 572922204 /nfs/dbraw/zinc/92/22/04/572922204.db2.gz LJZQCYYJWJLFLM-UHFFFAOYSA-N 0 0 164.248 2.880 10 0 AFAERN CCC(=O)[C@H](C)CCOC(F)(F)F 86357085 572922333 /nfs/dbraw/zinc/92/23/33/572922333.db2.gz LWOXFJMFCOOQPT-ZCFIWIBFSA-N 0 0 198.184 2.528 10 0 AFAERN CCC(=O)[C@H](C)CCc1cccnc1 86356886 572922368 /nfs/dbraw/zinc/92/23/68/572922368.db2.gz QUDSUYXTOINHAW-SNVBAGLBSA-N 0 0 191.274 2.629 10 0 AFAERN Cc1ccc2c(c1)[C@@H](CO)CC[C@H]2C 196700858 572922380 /nfs/dbraw/zinc/92/23/80/572922380.db2.gz GWXWUAYDUVZCFN-GHMZBOCLSA-N 0 0 190.286 2.968 10 0 AFAERN CO[C@H]1CCC[C@@H](CC(=O)C2CC2)C1 86356668 572922383 /nfs/dbraw/zinc/92/23/83/572922383.db2.gz PZWYWOUHPIHSRV-KOLCDFICSA-N 0 0 196.290 2.561 10 0 AFAERN Cc1ccc2c(c1)[C@@H](CO)CC[C@@H]2C 196700841 572922394 /nfs/dbraw/zinc/92/23/94/572922394.db2.gz GWXWUAYDUVZCFN-WDEREUQCSA-N 0 0 190.286 2.968 10 0 AFAERN CO[C@@H]1CCC[C@H](CC(=O)C2CC2)C1 86356662 572922399 /nfs/dbraw/zinc/92/23/99/572922399.db2.gz PZWYWOUHPIHSRV-GXSJLCMTSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@H](CCC1CC1)[C@@H](C)O 86358411 572922427 /nfs/dbraw/zinc/92/24/27/572922427.db2.gz ODIHGEOJUARVAS-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@H](O)CCCC(F)(F)F 86358881 572922449 /nfs/dbraw/zinc/92/24/49/572922449.db2.gz RSYFIJYZJWNISP-ZETCQYMHSA-N 0 0 184.201 2.880 10 0 AFAERN CC1(C)C=C[C@H](O)c2ccccc21 196704676 572922467 /nfs/dbraw/zinc/92/24/67/572922467.db2.gz CNTFJCPVXWRBCG-NSHDSACASA-N 0 0 174.243 2.567 10 0 AFAERN CCC[C@@H](O)CCC1CCC1 86358942 572922470 /nfs/dbraw/zinc/92/24/70/572922470.db2.gz HQVDYAINHCPSPP-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CCC(=O)[C@@H](C)Cc1cnc(C)s1 86356852 572922473 /nfs/dbraw/zinc/92/24/73/572922473.db2.gz CSGKCEFLQDHOKR-ZETCQYMHSA-N 0 0 197.303 2.609 10 0 AFAERN CCC[C@@H](O)CCCC(F)(F)F 86358883 572922478 /nfs/dbraw/zinc/92/24/78/572922478.db2.gz RSYFIJYZJWNISP-SSDOTTSWSA-N 0 0 184.201 2.880 10 0 AFAERN CCC(=O)[C@@H](C)CCc1ccncc1 86357041 572922496 /nfs/dbraw/zinc/92/24/96/572922496.db2.gz KICIULFVDWRBOE-JTQLQIEISA-N 0 0 191.274 2.629 10 0 AFAERN CCC[C@H](CO)c1cccc(C)c1 86357472 572922513 /nfs/dbraw/zinc/92/25/13/572922513.db2.gz UWYULGVWUSNOQC-GFCCVEGCSA-N 0 0 178.275 2.871 10 0 AFAERN CCC(=O)[C@H](C)Cc1cccc(C)n1 86356902 572922534 /nfs/dbraw/zinc/92/25/34/572922534.db2.gz PJJKWEORLIXXBY-SECBINFHSA-N 0 0 191.274 2.548 10 0 AFAERN CCC(=O)[C@H](C)Cc1cnc(C)s1 86356854 572922555 /nfs/dbraw/zinc/92/25/55/572922555.db2.gz CSGKCEFLQDHOKR-SSDOTTSWSA-N 0 0 197.303 2.609 10 0 AFAERN CC(=O)[C@@H](Cc1cscn1)C(C)C 86356314 572922594 /nfs/dbraw/zinc/92/25/94/572922594.db2.gz MIZAQISPLHOOEI-JTQLQIEISA-N 0 0 197.303 2.547 10 0 AFAERN CC[C@@H](CCC(F)(F)F)[C@H](C)O 86358492 572922619 /nfs/dbraw/zinc/92/26/19/572922619.db2.gz CRVTYPMTWMDWIQ-BQBZGAKWSA-N 0 0 184.201 2.736 10 0 AFAERN O=C(CCCC(F)(F)F)C1CC1 86356685 572922651 /nfs/dbraw/zinc/92/26/51/572922651.db2.gz PTKXSGMTGJLWLO-UHFFFAOYSA-N 0 0 180.169 2.698 10 0 AFAERN CC(=O)[C@@H](CC1(O)CCCC1)C(C)C 86356414 572922663 /nfs/dbraw/zinc/92/26/63/572922663.db2.gz KUHKOGUDMUKFGJ-NSHDSACASA-N 0 0 198.306 2.543 10 0 AFAERN CCC[C@@H](CO)c1cccc(C)c1 86357469 572922700 /nfs/dbraw/zinc/92/27/00/572922700.db2.gz UWYULGVWUSNOQC-LBPRGKRZSA-N 0 0 178.275 2.871 10 0 AFAERN CCC(=O)[C@@H](C)CCc1cccnc1 86356884 572922707 /nfs/dbraw/zinc/92/27/07/572922707.db2.gz QUDSUYXTOINHAW-JTQLQIEISA-N 0 0 191.274 2.629 10 0 AFAERN CC[C@H]1CCC[C@@H](CC(=O)COC)C1 86356078 572922723 /nfs/dbraw/zinc/92/27/23/572922723.db2.gz LFAGBDYSNIOEHN-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CCC(=O)[C@@H](C)C[C@@H]1CCCCO1 86356976 572922731 /nfs/dbraw/zinc/92/27/31/572922731.db2.gz QFMZSHHHDCWMKJ-UWVGGRQHSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H](O)CC[C@H]1Cc2ccccc21 86359279 572922737 /nfs/dbraw/zinc/92/27/37/572922737.db2.gz XHAOZVHDIDHCPK-RYUDHWBXSA-N 0 0 190.286 2.877 10 0 AFAERN CC[C@@H](CCC1CC1)[C@@H](C)O 86358409 572922774 /nfs/dbraw/zinc/92/27/74/572922774.db2.gz ODIHGEOJUARVAS-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(C)[C@H](O)CCCC1CC1 86359128 572922777 /nfs/dbraw/zinc/92/27/77/572922777.db2.gz ZDVZQSUYLCMIJE-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H](O)CCc1cnc(C)s1 86358997 572922804 /nfs/dbraw/zinc/92/28/04/572922804.db2.gz RBNRGGHBGLXLEB-VIFPVBQESA-N 0 0 199.319 2.545 10 0 AFAERN CC[C@H](CCC(F)(F)F)[C@@H](C)O 86358491 572922823 /nfs/dbraw/zinc/92/28/23/572922823.db2.gz CRVTYPMTWMDWIQ-RNFRBKRXSA-N 0 0 184.201 2.736 10 0 AFAERN CC[C@H](CCC1CC1)[C@H](C)O 86358414 572922825 /nfs/dbraw/zinc/92/28/25/572922825.db2.gz ODIHGEOJUARVAS-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CCC(=O)[C@H](C)C[C@@H]1CCCCO1 86356978 572922831 /nfs/dbraw/zinc/92/28/31/572922831.db2.gz QFMZSHHHDCWMKJ-ZJUUUORDSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(=O)[C@H](C)CCC1CC1 86356889 572922885 /nfs/dbraw/zinc/92/28/85/572922885.db2.gz NTRKEGWMBSZCGC-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CCC(=O)[C@H](C)C[C@H]1CCCCO1 86356983 572922898 /nfs/dbraw/zinc/92/28/98/572922898.db2.gz QFMZSHHHDCWMKJ-NXEZZACHSA-N 0 0 184.279 2.561 10 0 AFAERN O=Cc1ccc(O)c(C2CCCC2)c1 141214876 572923637 /nfs/dbraw/zinc/92/36/37/572923637.db2.gz ODGXCXOYLUGQBF-UHFFFAOYSA-N 0 0 190.242 2.862 10 0 AFAERN CCC[C@@H](O)CCCC1CC1 86358834 572922918 /nfs/dbraw/zinc/92/29/18/572922918.db2.gz FIGMLQAGUUMXMJ-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CC(=O)[C@H](CC1(O)CCCC1)C(C)C 86356412 572922923 /nfs/dbraw/zinc/92/29/23/572922923.db2.gz KUHKOGUDMUKFGJ-LLVKDONJSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](O)CCCc1scnc1C 86359325 572922948 /nfs/dbraw/zinc/92/29/48/572922948.db2.gz SALAJFVRZCAJQM-VIFPVBQESA-N 0 0 199.319 2.545 10 0 AFAERN CC(C)(C)[C@H](O)CCC1CCC1 86359180 572922952 /nfs/dbraw/zinc/92/29/52/572922952.db2.gz WBIVLFSQLCCNEX-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN O[C@@H](CCC(F)F)c1ccccc1 86357945 572922955 /nfs/dbraw/zinc/92/29/55/572922955.db2.gz GZBIHZBFBPPTGX-VIFPVBQESA-N 0 0 186.201 2.765 10 0 AFAERN CC[C@@H](O)CCCc1scnc1C 86359326 572922964 /nfs/dbraw/zinc/92/29/64/572922964.db2.gz SALAJFVRZCAJQM-SECBINFHSA-N 0 0 199.319 2.545 10 0 AFAERN CCC(=O)[C@@H](C)Cc1cccc(C)n1 86356900 572922985 /nfs/dbraw/zinc/92/29/85/572922985.db2.gz PJJKWEORLIXXBY-VIFPVBQESA-N 0 0 191.274 2.548 10 0 AFAERN CC[C@@H](O)CC[C@H]1Cc2ccccc21 86359280 572923007 /nfs/dbraw/zinc/92/30/07/572923007.db2.gz XHAOZVHDIDHCPK-NWDGAFQWSA-N 0 0 190.286 2.877 10 0 AFAERN CC(=O)[C@@H](CC(F)(F)F)C(C)C 86356454 572923014 /nfs/dbraw/zinc/92/30/14/572923014.db2.gz AGIUJUVWHMRSDJ-ZETCQYMHSA-N 0 0 182.185 2.800 10 0 AFAERN CC(C)(C)[C@@H](O)CCC1CCC1 86359181 572923089 /nfs/dbraw/zinc/92/30/89/572923089.db2.gz WBIVLFSQLCCNEX-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H]1CCC[C@H](CC(=O)COC)C1 86356074 572923140 /nfs/dbraw/zinc/92/31/40/572923140.db2.gz LFAGBDYSNIOEHN-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CCC(=O)[C@@H](C)CC1(O)CCCCC1 86357068 572923171 /nfs/dbraw/zinc/92/31/71/572923171.db2.gz SYVUSZFXXFYVKX-JTQLQIEISA-N 0 0 198.306 2.687 10 0 AFAERN CC(=O)n1cc2c3c(cccc31)CCC2 238081432 572923177 /nfs/dbraw/zinc/92/31/77/572923177.db2.gz YFUFDWBZEFHOIY-UHFFFAOYSA-N 0 0 199.253 2.790 10 0 AFAERN CC[C@@H](CCC(F)(F)F)[C@@H](C)O 86358490 572923222 /nfs/dbraw/zinc/92/32/22/572923222.db2.gz CRVTYPMTWMDWIQ-RQJHMYQMSA-N 0 0 184.201 2.736 10 0 AFAERN CC[C@@H](O)CC[C@@H]1Cc2ccccc21 86359278 572923257 /nfs/dbraw/zinc/92/32/57/572923257.db2.gz XHAOZVHDIDHCPK-VXGBXAGGSA-N 0 0 190.286 2.877 10 0 AFAERN CC(=O)[C@@H](C[C@H]1CCCCO1)C(C)C 86356507 572923267 /nfs/dbraw/zinc/92/32/67/572923267.db2.gz MSIJHLALYOSYHD-NEPJUHHUSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H](CCC1CC1)[C@H](C)O 86358413 572923279 /nfs/dbraw/zinc/92/32/79/572923279.db2.gz ODIHGEOJUARVAS-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H](O)CCc1cnc(C)s1 86358998 572923289 /nfs/dbraw/zinc/92/32/89/572923289.db2.gz RBNRGGHBGLXLEB-SECBINFHSA-N 0 0 199.319 2.545 10 0 AFAERN CC(=O)[C@@H](C[C@@H]1CCCCO1)C(C)C 86356503 572923312 /nfs/dbraw/zinc/92/33/12/572923312.db2.gz MSIJHLALYOSYHD-RYUDHWBXSA-N 0 0 198.306 2.807 10 0 AFAERN CO[C@@H]1CCC[C@@H](CC(=O)C2CC2)C1 86356666 572923315 /nfs/dbraw/zinc/92/33/15/572923315.db2.gz PZWYWOUHPIHSRV-MWLCHTKSSA-N 0 0 196.290 2.561 10 0 AFAERN CC[C@@H]1CCC[C@H](CC(=O)COC)C1 86356072 572923323 /nfs/dbraw/zinc/92/33/23/572923323.db2.gz LFAGBDYSNIOEHN-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN COCC(=O)C[C@@H]1CC[C@@H](C)[C@@H](C)C1 86356049 572923366 /nfs/dbraw/zinc/92/33/66/572923366.db2.gz OHUUDEGAOOHIKJ-OUAUKWLOSA-N 0 0 198.306 2.664 10 0 AFAERN C=C/C=C\CCC1(CO)CC=CC1 713638763 572923425 /nfs/dbraw/zinc/92/34/25/572923425.db2.gz CLJSGNCLSDENDP-ARJAWSKDSA-N 0 0 178.275 2.838 10 0 AFAERN CCC(=O)[C@H](C)CCc1ccncc1 86357043 572923443 /nfs/dbraw/zinc/92/34/43/572923443.db2.gz KICIULFVDWRBOE-SNVBAGLBSA-N 0 0 191.274 2.629 10 0 AFAERN CCC(=O)[C@H](C)[C@@H]1CCC[C@H](OC)C1 86356869 572923446 /nfs/dbraw/zinc/92/34/46/572923446.db2.gz LJGBDNDPXQPGRP-MXWKQRLJSA-N 0 0 198.306 2.807 10 0 AFAERN CC(=O)[C@H](CC(F)(F)F)C(C)C 86356452 572923515 /nfs/dbraw/zinc/92/35/15/572923515.db2.gz AGIUJUVWHMRSDJ-SSDOTTSWSA-N 0 0 182.185 2.800 10 0 AFAERN C=C/C=C/CCC1(CO)CC=CC1 713638765 572923524 /nfs/dbraw/zinc/92/35/24/572923524.db2.gz CLJSGNCLSDENDP-ONEGZZNKSA-N 0 0 178.275 2.838 10 0 AFAERN c1cnc2c(c1)ncn2C1CCCC1 75935284 572923526 /nfs/dbraw/zinc/92/35/26/572923526.db2.gz SNRRKCZHRVGYGI-UHFFFAOYSA-N 0 0 187.246 2.546 10 0 AFAERN CC[C@H](O)CC[C@@H]1Cc2ccccc21 86359277 572923538 /nfs/dbraw/zinc/92/35/38/572923538.db2.gz XHAOZVHDIDHCPK-NEPJUHHUSA-N 0 0 190.286 2.877 10 0 AFAERN CCC[C@@H](O)CCCc1cccnc1 86358903 572923578 /nfs/dbraw/zinc/92/35/78/572923578.db2.gz HOAAHJXXTNKCNE-GFCCVEGCSA-N 0 0 193.290 2.565 10 0 AFAERN CC(C)C[C@@H](CO)c1ccccc1F 86369352 572923774 /nfs/dbraw/zinc/92/37/74/572923774.db2.gz PXFZUKBNJAFLTI-JTQLQIEISA-N 0 0 196.265 2.948 10 0 AFAERN CC(C)[C@@H](CC(F)(F)F)[C@H](C)O 86362917 572923798 /nfs/dbraw/zinc/92/37/98/572923798.db2.gz DFKGEJOUROUMIN-NKWVEPMBSA-N 0 0 184.201 2.592 10 0 AFAERN CC(C)[C@H](CCC(F)(F)F)[C@H](C)O 86362798 572923924 /nfs/dbraw/zinc/92/39/24/572923924.db2.gz YGOHIVSILZEQLN-YUMQZZPRSA-N 0 0 198.228 2.982 10 0 AFAERN CC(C)n1ncc2ccc(F)cc21 75937335 572923953 /nfs/dbraw/zinc/92/39/53/572923953.db2.gz BMNNTBJGSHDSTO-UHFFFAOYSA-N 0 0 178.210 2.756 10 0 AFAERN CC(C)C[C@H](CO)c1ccccc1F 86369353 572923969 /nfs/dbraw/zinc/92/39/69/572923969.db2.gz PXFZUKBNJAFLTI-SNVBAGLBSA-N 0 0 196.265 2.948 10 0 AFAERN CCC[C@H](CO)c1cccc(F)c1 86367527 572924002 /nfs/dbraw/zinc/92/40/02/572924002.db2.gz XJQDIDSRMBCNHW-SNVBAGLBSA-N 0 0 182.238 2.702 10 0 AFAERN CC(C)[C@@H](CC(F)(F)F)[C@@H](C)O 86362913 572924092 /nfs/dbraw/zinc/92/40/92/572924092.db2.gz DFKGEJOUROUMIN-RNFRBKRXSA-N 0 0 184.201 2.592 10 0 AFAERN CC[C@H](O)[C@@H](C)CCC1CC1 86363462 572924139 /nfs/dbraw/zinc/92/41/39/572924139.db2.gz SCPKTMOXAXSFEZ-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@H](CCC1CC1)[C@H](C)O 86362715 572924142 /nfs/dbraw/zinc/92/41/42/572924142.db2.gz MKOIURBZIVAYLA-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc(Nc2cccnc2N)cc1 141201679 572924183 /nfs/dbraw/zinc/92/41/83/572924183.db2.gz HGKAXGPBLWBZPL-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN CCC[C@@H](CO)c1cccc(F)c1 86367524 572924227 /nfs/dbraw/zinc/92/42/27/572924227.db2.gz XJQDIDSRMBCNHW-JTQLQIEISA-N 0 0 182.238 2.702 10 0 AFAERN CC(C)C[C@H](CO)c1cccc(F)c1 86367467 572924238 /nfs/dbraw/zinc/92/42/38/572924238.db2.gz RBGLIQBYXJNSLL-LLVKDONJSA-N 0 0 196.265 2.948 10 0 AFAERN CC(C)[C@@H](CCC1CC1)[C@@H](C)O 86362709 572924291 /nfs/dbraw/zinc/92/42/91/572924291.db2.gz MKOIURBZIVAYLA-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN C/C=C\COc1ccc(F)c(F)c1 308194772 572924297 /nfs/dbraw/zinc/92/42/97/572924297.db2.gz QDWGNSUAXOSAQR-IHWYPQMZSA-N 0 0 184.185 2.920 10 0 AFAERN CC[C@@H](O)[C@H](C)CCC(F)(F)F 86363527 572924317 /nfs/dbraw/zinc/92/43/17/572924317.db2.gz GOLGFGIABYXPPJ-RNFRBKRXSA-N 0 0 184.201 2.736 10 0 AFAERN CC(C)[C@@H](CCC(F)(F)F)[C@@H](C)O 86362792 572925149 /nfs/dbraw/zinc/92/51/49/572925149.db2.gz YGOHIVSILZEQLN-HTQZYQBOSA-N 0 0 198.228 2.982 10 0 AFAERN CC(C)[C@@H](O)CCCC(F)(F)F 86359467 572924488 /nfs/dbraw/zinc/92/44/88/572924488.db2.gz HKZQFONNUWHZGD-ZETCQYMHSA-N 0 0 184.201 2.736 10 0 AFAERN CC[C@@H](O)[C@H](C)CCC1CC1 86363469 572924509 /nfs/dbraw/zinc/92/45/09/572924509.db2.gz SCPKTMOXAXSFEZ-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@@H](CCC1CC1)[C@H](C)O 86362713 572924557 /nfs/dbraw/zinc/92/45/57/572924557.db2.gz MKOIURBZIVAYLA-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)[C@H](CC(F)(F)F)[C@H](C)O 86362918 572924580 /nfs/dbraw/zinc/92/45/80/572924580.db2.gz DFKGEJOUROUMIN-BQBZGAKWSA-N 0 0 184.201 2.592 10 0 AFAERN CCC[C@@H](CO)c1ccccc1F 86369349 572924679 /nfs/dbraw/zinc/92/46/79/572924679.db2.gz FMHUPZDZSYPHPW-VIFPVBQESA-N 0 0 182.238 2.702 10 0 AFAERN c1nn(C2CCCC2)c2c1CCCC2 75945266 572924735 /nfs/dbraw/zinc/92/47/35/572924735.db2.gz IJRAUNAWTQBDEV-UHFFFAOYSA-N 0 0 190.290 2.877 10 0 AFAERN CC(C)[C@@H](O)CCCC1CC1 86359425 572925341 /nfs/dbraw/zinc/92/53/41/572925341.db2.gz NJJGPQDITKTISS-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@H](CC1CCC1)[C@H](C)O 86362881 572924718 /nfs/dbraw/zinc/92/47/18/572924718.db2.gz AUGRKMSWEWZWJO-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](O)[C@H](C)CCC1CC1 86363466 572924762 /nfs/dbraw/zinc/92/47/62/572924762.db2.gz SCPKTMOXAXSFEZ-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)[C@H](O)CCCC1CC1 86359423 572924826 /nfs/dbraw/zinc/92/48/26/572924826.db2.gz NJJGPQDITKTISS-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](O)[C@@H](C)CCC1CC1 86363464 572924859 /nfs/dbraw/zinc/92/48/59/572924859.db2.gz SCPKTMOXAXSFEZ-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H]1CCNc2cc(O)ccc21 141212996 572924897 /nfs/dbraw/zinc/92/48/97/572924897.db2.gz BIVHHDHXDURQMJ-QMMMGPOBSA-N 0 0 177.247 2.701 10 0 AFAERN CC[C@H](O)[C@H](C)CCC(F)(F)F 86363525 572925471 /nfs/dbraw/zinc/92/54/71/572925471.db2.gz GOLGFGIABYXPPJ-RQJHMYQMSA-N 0 0 184.201 2.736 10 0 AFAERN CC(C)[C@@H](CC1CCC1)[C@@H](C)O 86362875 572924964 /nfs/dbraw/zinc/92/49/64/572924964.db2.gz AUGRKMSWEWZWJO-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H](O)[C@@H](C)CCC(F)(F)F 86363524 572924967 /nfs/dbraw/zinc/92/49/67/572924967.db2.gz GOLGFGIABYXPPJ-NKWVEPMBSA-N 0 0 184.201 2.736 10 0 AFAERN CCC(=O)OCC1(C)CCCCC1 308194717 572924996 /nfs/dbraw/zinc/92/49/96/572924996.db2.gz QBCFNABFEMNPOI-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN CC(C)[C@H](CCC(F)(F)F)[C@@H](C)O 86362794 572925107 /nfs/dbraw/zinc/92/51/07/572925107.db2.gz YGOHIVSILZEQLN-SFYZADRCSA-N 0 0 198.228 2.982 10 0 AFAERN CC[C@H](O)[C@@H](C)CCC(F)(F)F 86363523 572925130 /nfs/dbraw/zinc/92/51/30/572925130.db2.gz GOLGFGIABYXPPJ-BQBZGAKWSA-N 0 0 184.201 2.736 10 0 AFAERN Cc1ccc(O)c2cc(O)ccc12 141197048 572925136 /nfs/dbraw/zinc/92/51/36/572925136.db2.gz KIGJTEFBAOWYJU-UHFFFAOYSA-N 0 0 174.199 2.559 10 0 AFAERN CC(C)[C@H](CC1CCC1)[C@@H](C)O 86362877 572925169 /nfs/dbraw/zinc/92/51/69/572925169.db2.gz AUGRKMSWEWZWJO-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN CCC[C@H](CO)c1ccccc1F 86369351 572925456 /nfs/dbraw/zinc/92/54/56/572925456.db2.gz FMHUPZDZSYPHPW-SECBINFHSA-N 0 0 182.238 2.702 10 0 AFAERN CCc1cc2c(cc1CC)OCO2 141105741 572925269 /nfs/dbraw/zinc/92/52/69/572925269.db2.gz JNJSYDHHHRUJKI-UHFFFAOYSA-N 0 0 178.231 2.540 10 0 AFAERN CC(C)[C@H](CC(F)(F)F)[C@@H](C)O 86362915 572925463 /nfs/dbraw/zinc/92/54/63/572925463.db2.gz DFKGEJOUROUMIN-RQJHMYQMSA-N 0 0 184.201 2.592 10 0 AFAERN CC(C)n1ncc2cc(F)ccc21 75937337 572925313 /nfs/dbraw/zinc/92/53/13/572925313.db2.gz UHYJJRIWVWWFJK-UHFFFAOYSA-N 0 0 178.210 2.756 10 0 AFAERN CC(C)[C@H](O)CCCC(F)(F)F 86359465 572925321 /nfs/dbraw/zinc/92/53/21/572925321.db2.gz HKZQFONNUWHZGD-SSDOTTSWSA-N 0 0 184.201 2.736 10 0 AFAERN CC(C)[C@@H](CCC(F)(F)F)[C@H](C)O 86362796 572925360 /nfs/dbraw/zinc/92/53/60/572925360.db2.gz YGOHIVSILZEQLN-JGVFFNPUSA-N 0 0 198.228 2.982 10 0 AFAERN CC(C)[C@@H](CC1CCC1)[C@H](C)O 86362879 572925419 /nfs/dbraw/zinc/92/54/19/572925419.db2.gz AUGRKMSWEWZWJO-GXSJLCMTSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H](C)C(=O)c1ccc(OC)s1 308191204 572925605 /nfs/dbraw/zinc/92/56/05/572925605.db2.gz JQMBKGPEJYCSQH-SSDOTTSWSA-N 0 0 198.287 2.986 10 0 AFAERN Cc1c(N)ccc2c1NC(C)(C)CC2 141218976 572925691 /nfs/dbraw/zinc/92/56/91/572925691.db2.gz PXGVLRMOLONCMQ-UHFFFAOYSA-N 0 0 190.290 2.714 10 0 AFAERN CCC[C@H]1CCNc2cc(N)ccc21 141218560 572925747 /nfs/dbraw/zinc/92/57/47/572925747.db2.gz CWFCXNPEHZJDEM-VIFPVBQESA-N 0 0 190.290 2.968 10 0 AFAERN CC(C)(C)C(=O)CC[C@@H]1CCCCO1 86352823 572925929 /nfs/dbraw/zinc/92/59/29/572925929.db2.gz FEAORMFXPXKZQC-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN C/C(=C\CCC(C)C)[C@H](C)O 116792856 572925912 /nfs/dbraw/zinc/92/59/12/572925912.db2.gz CBDGYLCGGYOVKF-PCYYEKQGSA-N 0 0 156.269 2.750 10 0 AFAERN CO[C@@H]1CCC[C@@H](CC(=O)C(C)C)C1 86353105 572926146 /nfs/dbraw/zinc/92/61/46/572926146.db2.gz RMTIFJVPFOLWFJ-GHMZBOCLSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@H](C)[C@H](C)CC[C@@H](C)O 116794955 572926154 /nfs/dbraw/zinc/92/61/54/572926154.db2.gz HEMJEBFLWUJUEH-IVZWLZJFSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(CC)=C(Cl)N(C)C 141165759 572926228 /nfs/dbraw/zinc/92/62/28/572926228.db2.gz GCSCRAQLGYRSHS-UHFFFAOYSA-N 0 0 161.676 2.818 10 0 AFAERN CC(=O)[C@@H]1[C@@H]2C=CCCCC[C@@H]21 238094761 572926328 /nfs/dbraw/zinc/92/63/28/572926328.db2.gz PAJMYMXWGZLMGS-OUAUKWLOSA-N 0 0 164.248 2.568 10 0 AFAERN C=C/C=C\CC[C@@]1(CO)CC1(C)C 713639214 572926431 /nfs/dbraw/zinc/92/64/31/572926431.db2.gz GDWKXYJNNLAAHS-FJOGCWAESA-N 0 0 180.291 2.917 10 0 AFAERN CCCC(=O)C[C@@H]1CCCCC[C@@H]1O 86352554 572926442 /nfs/dbraw/zinc/92/64/42/572926442.db2.gz CXEYZVZKCVPMHT-JQWIXIFHSA-N 0 0 198.306 2.687 10 0 AFAERN CCC(=O)C[C@@H]1CCC[C@H](OC)C1 86352934 572926947 /nfs/dbraw/zinc/92/69/47/572926947.db2.gz RKDHHMCXVVBHQO-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)(C)C(=O)CCC1(O)CCCC1 86352780 572926529 /nfs/dbraw/zinc/92/65/29/572926529.db2.gz JICOCSSIYRSDKW-UHFFFAOYSA-N 0 0 198.306 2.687 10 0 AFAERN CCCC(=O)CCc1cnc(C)s1 86352578 572926607 /nfs/dbraw/zinc/92/66/07/572926607.db2.gz SEXNZDOOYLZBDM-UHFFFAOYSA-N 0 0 197.303 2.753 10 0 AFAERN CC(C)(C)C(=O)CC[C@H]1CCCCO1 86352824 572926547 /nfs/dbraw/zinc/92/65/47/572926547.db2.gz FEAORMFXPXKZQC-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN COC(C)(C)CCOCCC(C)C 116757978 572926566 /nfs/dbraw/zinc/92/65/66/572926566.db2.gz FNLQQOMAAIQUNE-UHFFFAOYSA-N 0 0 188.311 2.864 10 0 AFAERN Cc1ncc(CCC(=O)C(C)C)s1 86353095 572926575 /nfs/dbraw/zinc/92/65/75/572926575.db2.gz XWZLTGHNQYSAQL-UHFFFAOYSA-N 0 0 197.303 2.609 10 0 AFAERN CCC[C@H](C)OC[C@H](O)[C@H](C)CC 299982275 572926594 /nfs/dbraw/zinc/92/65/94/572926594.db2.gz VUTVCJKCLUBEPP-VWYCJHECSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H](C)C(=O)c1ccc(OC)s1 308191205 572926615 /nfs/dbraw/zinc/92/66/15/572926615.db2.gz JQMBKGPEJYCSQH-ZETCQYMHSA-N 0 0 198.287 2.986 10 0 AFAERN CO[C@@H]1CCC[C@H](CC(=O)C(C)C)C1 86353106 572926674 /nfs/dbraw/zinc/92/66/74/572926674.db2.gz RMTIFJVPFOLWFJ-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cccc(CCC(=O)C(C)C)n1 86353123 572926961 /nfs/dbraw/zinc/92/69/61/572926961.db2.gz RLAMCRQHEKNWBP-UHFFFAOYSA-N 0 0 191.274 2.548 10 0 AFAERN Cc1ccc2ccc(C)c(O)c2n1 141264946 572926697 /nfs/dbraw/zinc/92/66/97/572926697.db2.gz KLCMWUIXAJXKTQ-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN CCCc1nc2c(F)ccc(C)c2[nH]1 141249588 572926702 /nfs/dbraw/zinc/92/67/02/572926702.db2.gz NFXSLQNHHNCTLS-UHFFFAOYSA-N 0 0 192.237 2.963 10 0 AFAERN CCCC(=O)C[C@@H]1CCC[C@H](OC)C1 86352585 572926710 /nfs/dbraw/zinc/92/67/10/572926710.db2.gz GIUHNFSWCLOHNO-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC/C(C)=C\[C@H](C)O 116796262 572926714 /nfs/dbraw/zinc/92/67/14/572926714.db2.gz ZVFTYFNAGKZRLJ-FUOZMLNRSA-N 0 0 142.242 2.504 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@@H](C)C1CC1 713639222 572926728 /nfs/dbraw/zinc/92/67/28/572926728.db2.gz GGSSASUNONBGBL-XVHVLHHCSA-N 0 0 180.291 2.916 10 0 AFAERN CCCC(=O)CCC1CCC1 86352553 572926757 /nfs/dbraw/zinc/92/67/57/572926757.db2.gz VFPQHCVFXNMKQE-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CO[C@H]1CCC[C@@H](CC(=O)C(C)C)C1 86353100 572926770 /nfs/dbraw/zinc/92/67/70/572926770.db2.gz RMTIFJVPFOLWFJ-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN CCC(=O)C[C@@H]1CCC[C@@H](OC)C1 86352938 572926828 /nfs/dbraw/zinc/92/68/28/572926828.db2.gz RKDHHMCXVVBHQO-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)C(C(C)C)[C@H](N)C(F)(F)F 308198700 572926833 /nfs/dbraw/zinc/92/68/33/572926833.db2.gz SYAKXIOZDYCWSG-QMMMGPOBSA-N 0 0 197.244 2.804 10 0 AFAERN C=C/C=C/CC[C@@]1(CO)CC1(C)C 713639216 572926870 /nfs/dbraw/zinc/92/68/70/572926870.db2.gz GDWKXYJNNLAAHS-FYJFLYSWSA-N 0 0 180.291 2.917 10 0 AFAERN CC(C)C(=O)CCCC1CC1 86353117 572926887 /nfs/dbraw/zinc/92/68/87/572926887.db2.gz NCAOLCMMDQNQEL-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC(=O)CCCC1CC1 86352601 572926915 /nfs/dbraw/zinc/92/69/15/572926915.db2.gz BNZOLDUZLMYKSH-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN O[C@H](c1ccccc1)C1(C2CC2)CC1 141160210 572927228 /nfs/dbraw/zinc/92/72/28/572927228.db2.gz IBCUPDLPSQCHFT-GFCCVEGCSA-N 0 0 188.270 2.910 10 0 AFAERN COC(C)(C)CCOCC=C(C)C 116757798 572927093 /nfs/dbraw/zinc/92/70/93/572927093.db2.gz YKOFCKQKPOQJLH-UHFFFAOYSA-N 0 0 186.295 2.784 10 0 AFAERN Cn1c(C2CC2)nc2cccc(F)c21 75974267 572927127 /nfs/dbraw/zinc/92/71/27/572927127.db2.gz ASIQSGIDXRRPJY-UHFFFAOYSA-N 0 0 190.221 2.590 10 0 AFAERN CCCC(=O)C[C@H]1CCC[C@@H](OC)C1 86352591 572927162 /nfs/dbraw/zinc/92/71/62/572927162.db2.gz GIUHNFSWCLOHNO-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@@H](CC(F)F)n1cccc1C=O 308198912 572927617 /nfs/dbraw/zinc/92/76/17/572927617.db2.gz WDTSKYHVHJXJBV-ZETCQYMHSA-N 0 0 187.189 2.517 10 0 AFAERN CC(C)C(C(C)C)[C@@H](N)C(F)(F)F 308198698 572927213 /nfs/dbraw/zinc/92/72/13/572927213.db2.gz SYAKXIOZDYCWSG-MRVPVSSYSA-N 0 0 197.244 2.804 10 0 AFAERN Cn1c(C2CC2)nc2cc(F)ccc21 75974269 572927236 /nfs/dbraw/zinc/92/72/36/572927236.db2.gz ZDNKOTKLYLMSKD-UHFFFAOYSA-N 0 0 190.221 2.590 10 0 AFAERN CC(C)C(=O)CCCC(F)(F)F 86353125 572927247 /nfs/dbraw/zinc/92/72/47/572927247.db2.gz WPAUUSYWZNDSOL-UHFFFAOYSA-N 0 0 182.185 2.944 10 0 AFAERN CCC(=O)C[C@H]1CCC[C@@H](OC)C1 86352939 572927273 /nfs/dbraw/zinc/92/72/73/572927273.db2.gz RKDHHMCXVVBHQO-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CCCC/C(C)=C\[C@@H](C)O 116796257 572927315 /nfs/dbraw/zinc/92/73/15/572927315.db2.gz ZVFTYFNAGKZRLJ-UFGYOYAJSA-N 0 0 142.242 2.504 10 0 AFAERN CCCC(=O)CCC1(O)CCCCC1 86352706 572927327 /nfs/dbraw/zinc/92/73/27/572927327.db2.gz UPGNSVKCNSCKIC-UHFFFAOYSA-N 0 0 198.306 2.831 10 0 AFAERN Cn1c(C2CC2)nc2ccc(F)cc21 75974268 572927389 /nfs/dbraw/zinc/92/73/89/572927389.db2.gz AYPPYABCKGVRGE-UHFFFAOYSA-N 0 0 190.221 2.590 10 0 AFAERN CCOC(=O)[C@H]1[C@H](C)C12CCCCC2 116731639 572927407 /nfs/dbraw/zinc/92/74/07/572927407.db2.gz HNCSDOSXUIXKNG-VHSXEESVSA-N 0 0 196.290 2.766 10 0 AFAERN CC(=O)CCCC=C1C=CC=C1 238095098 572927435 /nfs/dbraw/zinc/92/74/35/572927435.db2.gz KYKCUDZZBVXYAX-UHFFFAOYSA-N 0 0 162.232 2.798 10 0 AFAERN CC(C)(O)CCCC(=O)C(C)(C)C 86352864 572927466 /nfs/dbraw/zinc/92/74/66/572927466.db2.gz QRMAYGMYCNRLJT-UHFFFAOYSA-N 0 0 186.295 2.543 10 0 AFAERN CCc1ccc2ccn(C)c2c1 141288554 572927473 /nfs/dbraw/zinc/92/74/73/572927473.db2.gz SXWYFDLLTSUSDI-UHFFFAOYSA-N 0 0 159.232 2.741 10 0 AFAERN CC[C@H](C)[C@@H](C)CC[C@@H](C)O 116794950 572927493 /nfs/dbraw/zinc/92/74/93/572927493.db2.gz HEMJEBFLWUJUEH-LPEHRKFASA-N 0 0 158.285 2.830 10 0 AFAERN FC1(Cl)CCCCC1 141257684 572927527 /nfs/dbraw/zinc/92/75/27/572927527.db2.gz WXZPTPUIYMOMRA-UHFFFAOYSA-N 0 0 136.597 2.855 10 0 AFAERN C[C@H](CC(F)F)n1cccc1C=O 308198911 572927644 /nfs/dbraw/zinc/92/76/44/572927644.db2.gz WDTSKYHVHJXJBV-SSDOTTSWSA-N 0 0 187.189 2.517 10 0 AFAERN CCCC(=O)CCCOC(F)(F)F 86352718 572927609 /nfs/dbraw/zinc/92/76/09/572927609.db2.gz SGNDFRIQPNOAGJ-UHFFFAOYSA-N 0 0 198.184 2.672 10 0 AFAERN O=C(CCC(F)F)c1ccccc1 86352370 572927582 /nfs/dbraw/zinc/92/75/82/572927582.db2.gz VDZXTNCQBSBFQH-UHFFFAOYSA-N 0 0 184.185 2.915 10 0 AFAERN CCCC(=O)CCc1cccc(C)n1 86352608 572927597 /nfs/dbraw/zinc/92/75/97/572927597.db2.gz PQAGYELVASQDMZ-UHFFFAOYSA-N 0 0 191.274 2.692 10 0 AFAERN CCOC(=O)[C@H]1[C@@H](C)C12CCCCC2 116731633 572927729 /nfs/dbraw/zinc/92/77/29/572927729.db2.gz HNCSDOSXUIXKNG-NXEZZACHSA-N 0 0 196.290 2.766 10 0 AFAERN CCCC(=O)C[C@H]1CCC[C@H](OC)C1 86352587 572927732 /nfs/dbraw/zinc/92/77/32/572927732.db2.gz GIUHNFSWCLOHNO-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1c(N)cc(Cl)c2c1N[C@@H](C)C2 713776869 572927751 /nfs/dbraw/zinc/92/77/51/572927751.db2.gz ZUFANCWOIMWSLE-YFKPBYRVSA-N 0 0 196.681 2.587 10 0 AFAERN CCCC(=O)C[C@@H]1CCC[C@@H](OC)C1 86352589 572927771 /nfs/dbraw/zinc/92/77/71/572927771.db2.gz GIUHNFSWCLOHNO-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN C/C(=C\CCC(C)C)[C@@H](C)O 116792853 572927772 /nfs/dbraw/zinc/92/77/72/572927772.db2.gz CBDGYLCGGYOVKF-TTZKWOQHSA-N 0 0 156.269 2.750 10 0 AFAERN CCCC(=O)CC[C@H]1CCCCO1 86352654 572927925 /nfs/dbraw/zinc/92/79/25/572927925.db2.gz LDYAAKAXRODDEV-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN CCOC(=O)[C@@H]1[C@H](C)C12CCCCC2 116731636 572927880 /nfs/dbraw/zinc/92/78/80/572927880.db2.gz HNCSDOSXUIXKNG-UWVGGRQHSA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)(C)CC(=O)c1ccccc1N 141238690 572927914 /nfs/dbraw/zinc/92/79/14/572927914.db2.gz NEWIDSMNFKFVHV-UHFFFAOYSA-N 0 0 191.274 2.888 10 0 AFAERN CCCC(=O)C[C@H]1CCCCC[C@@H]1O 86352557 572927967 /nfs/dbraw/zinc/92/79/67/572927967.db2.gz CXEYZVZKCVPMHT-PWSUYJOCSA-N 0 0 198.306 2.687 10 0 AFAERN COC(C)(C)CCC(=O)[C@@H]1CC1(C)C 234580514 572927970 /nfs/dbraw/zinc/92/79/70/572927970.db2.gz AHOOLBOYLOPHHZ-VIFPVBQESA-N 0 0 198.306 2.807 10 0 AFAERN CCCC(=O)C[C@@H]1CCCCC[C@H]1O 86352558 572927930 /nfs/dbraw/zinc/92/79/30/572927930.db2.gz CXEYZVZKCVPMHT-CMPLNLGQSA-N 0 0 198.306 2.687 10 0 AFAERN CCC(=O)CCCC(F)(F)F 86352952 572927933 /nfs/dbraw/zinc/92/79/33/572927933.db2.gz BTWGNBNJSYGRNX-UHFFFAOYSA-N 0 0 168.158 2.698 10 0 AFAERN c1cnc2c(c1)nc(C1CC1)n2C1CC1 75974283 572927944 /nfs/dbraw/zinc/92/79/44/572927944.db2.gz ITLYOBRLXUUJDQ-UHFFFAOYSA-N 0 0 199.257 2.644 10 0 AFAERN CO[C@H]1CCC[C@H](CC(=O)C(C)C)C1 86353103 572928007 /nfs/dbraw/zinc/92/80/07/572928007.db2.gz RMTIFJVPFOLWFJ-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)(C)C(=O)CCCCCCO 86352852 572928044 /nfs/dbraw/zinc/92/80/44/572928044.db2.gz BMGBXOIWHSOEFW-UHFFFAOYSA-N 0 0 186.295 2.544 10 0 AFAERN COc1c(C=O)cccc1C(C)C 141224073 572928120 /nfs/dbraw/zinc/92/81/20/572928120.db2.gz KQIJCVWLKXUQTQ-UHFFFAOYSA-N 0 0 178.231 2.631 10 0 AFAERN CC[C@@H](C)[C@H](O)CSC(C)(C)C 86389735 572928174 /nfs/dbraw/zinc/92/81/74/572928174.db2.gz ASSUMXTVNHQSRX-RKDXNWHRSA-N 0 0 190.352 2.925 10 0 AFAERN Cc1c(N)cc(Cl)c2c1N[C@H](C)C2 713776867 572928245 /nfs/dbraw/zinc/92/82/45/572928245.db2.gz ZUFANCWOIMWSLE-RXMQYKEDSA-N 0 0 196.681 2.587 10 0 AFAERN CCCSCC(=O)[C@@H](C)CC 86389012 572928340 /nfs/dbraw/zinc/92/83/40/572928340.db2.gz ZXKCJHNJOWDAHX-QMMMGPOBSA-N 0 0 174.309 2.745 10 0 AFAERN CCc1ccc([C@H](O)[C@@H](C)CC)o1 86388063 572928425 /nfs/dbraw/zinc/92/84/25/572928425.db2.gz JORAZVJMWKAHOX-GZMMTYOYSA-N 0 0 182.263 2.922 10 0 AFAERN CC[C@@H](c1ccccc1)[C@@H](C)CO 308201902 572928439 /nfs/dbraw/zinc/92/84/39/572928439.db2.gz QLOWHXCGZMZJDV-CMPLNLGQSA-N 0 0 178.275 2.809 10 0 AFAERN CCC(CC)[C@@H](O)[C@@H](C)CC 86387997 572928446 /nfs/dbraw/zinc/92/84/46/572928446.db2.gz GKILVODVUKBSGF-WPRPVWTQSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](C)C(=O)CSCC(C)C 86389022 572928458 /nfs/dbraw/zinc/92/84/58/572928458.db2.gz OHWKGYITZBULTD-SECBINFHSA-N 0 0 188.336 2.991 10 0 AFAERN C/C(=C\CO)C1C[C@H]2[C@@H](C1)C2(C)C 308201125 572928537 /nfs/dbraw/zinc/92/85/37/572928537.db2.gz PVYOBESMNUNEPA-ONCWHQMDSA-N 0 0 180.291 2.607 10 0 AFAERN CCCC/C=C\[C@@H]1[C@H](CO)C1(F)F 308201477 572928543 /nfs/dbraw/zinc/92/85/43/572928543.db2.gz QDXCIFCIRYDHFE-CDLGPUQVSA-N 0 0 190.233 2.606 10 0 AFAERN CC[C@@H](C)[C@@H](O)CSC(C)C 86389731 572928549 /nfs/dbraw/zinc/92/85/49/572928549.db2.gz KTRUUSWSYSUNNF-BDAKNGLRSA-N 0 0 176.325 2.535 10 0 AFAERN CC[C@@H](C)C(=O)Cc1nc(C)cs1 86388908 572928561 /nfs/dbraw/zinc/92/85/61/572928561.db2.gz UIGFULXUSSHCMH-SSDOTTSWSA-N 0 0 197.303 2.609 10 0 AFAERN CCc1ccc([C@@H](O)[C@H](C)CC)o1 86388068 572928564 /nfs/dbraw/zinc/92/85/64/572928564.db2.gz JORAZVJMWKAHOX-KCJUWKMLSA-N 0 0 182.263 2.922 10 0 AFAERN CCCC/C=C/[C@@H]1[C@H](CO)C1(F)F 308201490 572928586 /nfs/dbraw/zinc/92/85/86/572928586.db2.gz QDXCIFCIRYDHFE-RKWMXMRGSA-N 0 0 190.233 2.606 10 0 AFAERN CC[C@H](C)SC[C@@H](O)[C@H](C)CC 86389756 572928594 /nfs/dbraw/zinc/92/85/94/572928594.db2.gz WJWDXNOJPMMNPK-KXUCPTDWSA-N 0 0 190.352 2.925 10 0 AFAERN CC[C@H](C)[C@@H](O)CSCC(C)C 86389754 572928610 /nfs/dbraw/zinc/92/86/10/572928610.db2.gz JWCPQCDPVYKPDS-UWVGGRQHSA-N 0 0 190.352 2.783 10 0 AFAERN CCCSCC(=O)[C@H](C)CC 86389013 572928635 /nfs/dbraw/zinc/92/86/35/572928635.db2.gz ZXKCJHNJOWDAHX-MRVPVSSYSA-N 0 0 174.309 2.745 10 0 AFAERN CC[C@H](C)SC[C@H](O)[C@H](C)CC 86389761 572928643 /nfs/dbraw/zinc/92/86/43/572928643.db2.gz WJWDXNOJPMMNPK-UTLUCORTSA-N 0 0 190.352 2.925 10 0 AFAERN C/C(=C/CO)C1C[C@H]2[C@@H](C1)C2(C)C 308201124 572928676 /nfs/dbraw/zinc/92/86/76/572928676.db2.gz PVYOBESMNUNEPA-LKTSKJPHSA-N 0 0 180.291 2.607 10 0 AFAERN CC[C@@H](C)[C@H](O)c1cncn1C(C)C 86388513 572928680 /nfs/dbraw/zinc/92/86/80/572928680.db2.gz PXXCVSZKEUOZQB-KOLCDFICSA-N 0 0 196.294 2.544 10 0 AFAERN O=C(CC1CCCC1)OC(F)(F)F 308201753 572928731 /nfs/dbraw/zinc/92/87/31/572928731.db2.gz ZAGCKVNIOFNMRS-UHFFFAOYSA-N 0 0 196.168 2.630 10 0 AFAERN CC[C@H](C)[C@H](O)CSCC(C)C 86389750 572928740 /nfs/dbraw/zinc/92/87/40/572928740.db2.gz JWCPQCDPVYKPDS-VHSXEESVSA-N 0 0 190.352 2.783 10 0 AFAERN CC[C@H](C)C(=O)CSCC(C)C 86389024 572928756 /nfs/dbraw/zinc/92/87/56/572928756.db2.gz OHWKGYITZBULTD-VIFPVBQESA-N 0 0 188.336 2.991 10 0 AFAERN CC[C@H](C)[C@H](O)CSC(C)C 86389730 572928768 /nfs/dbraw/zinc/92/87/68/572928768.db2.gz KTRUUSWSYSUNNF-DTWKUNHWSA-N 0 0 176.325 2.535 10 0 AFAERN CC[C@H](C)C(=O)Cc1nc(C)cs1 86388910 572928796 /nfs/dbraw/zinc/92/87/96/572928796.db2.gz UIGFULXUSSHCMH-ZETCQYMHSA-N 0 0 197.303 2.609 10 0 AFAERN CCC(CC)[C@H](O)[C@@H](C)CC 86388000 572928809 /nfs/dbraw/zinc/92/88/09/572928809.db2.gz GKILVODVUKBSGF-WCBMZHEXSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@H](C)SC[C@@H](O)[C@@H](C)CC 86389759 572928813 /nfs/dbraw/zinc/92/88/13/572928813.db2.gz WJWDXNOJPMMNPK-LPEHRKFASA-N 0 0 190.352 2.925 10 0 AFAERN CC[C@@H](C)[C@@H](O)CSCC(C)C 86389752 572928855 /nfs/dbraw/zinc/92/88/55/572928855.db2.gz JWCPQCDPVYKPDS-ZJUUUORDSA-N 0 0 190.352 2.783 10 0 AFAERN CCCSC[C@@H](O)[C@@H](C)CC 86389721 572928868 /nfs/dbraw/zinc/92/88/68/572928868.db2.gz UKPAUJFKSSJGGO-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN CCCC/C=C\[C@@H]1[C@@H](CO)C1(F)F 308201482 572928916 /nfs/dbraw/zinc/92/89/16/572928916.db2.gz QDXCIFCIRYDHFE-JJKLJZTJSA-N 0 0 190.233 2.606 10 0 AFAERN CC[C@H](C)C(=O)COc1ccccc1 86388906 572928929 /nfs/dbraw/zinc/92/89/29/572928929.db2.gz SKVCRGNEPQTDGQ-JTQLQIEISA-N 0 0 192.258 2.681 10 0 AFAERN CC[C@@H](C)C(=O)COc1ccccc1 86388904 572928998 /nfs/dbraw/zinc/92/89/98/572928998.db2.gz SKVCRGNEPQTDGQ-SNVBAGLBSA-N 0 0 192.258 2.681 10 0 AFAERN CCc1ccc([C@H](O)[C@H](C)CC)o1 86388067 572929024 /nfs/dbraw/zinc/92/90/24/572929024.db2.gz JORAZVJMWKAHOX-LDYMZIIASA-N 0 0 182.263 2.922 10 0 AFAERN CC[C@H](C)[C@H](O)CSC(C)(C)C 86389738 572929035 /nfs/dbraw/zinc/92/90/35/572929035.db2.gz ASSUMXTVNHQSRX-DTWKUNHWSA-N 0 0 190.352 2.925 10 0 AFAERN CC[C@H](C)[C@@H](O)CSC(C)C 86389734 572929170 /nfs/dbraw/zinc/92/91/70/572929170.db2.gz KTRUUSWSYSUNNF-IUCAKERBSA-N 0 0 176.325 2.535 10 0 AFAERN CC[C@@H](C)[C@H](O)CSCC(C)C 86389748 572929212 /nfs/dbraw/zinc/92/92/12/572929212.db2.gz JWCPQCDPVYKPDS-NXEZZACHSA-N 0 0 190.352 2.783 10 0 AFAERN CCC(CC)[C@@H](O)[C@H](C)CC 86387996 572929222 /nfs/dbraw/zinc/92/92/22/572929222.db2.gz GKILVODVUKBSGF-SCZZXKLOSA-N 0 0 158.285 2.830 10 0 AFAERN c1ccc(OC2CC2)c(OC2CC2)c1 238093028 572929247 /nfs/dbraw/zinc/92/92/47/572929247.db2.gz KVBZAWCZRXTYRL-UHFFFAOYSA-N 0 0 190.242 2.769 10 0 AFAERN CC[C@@H](C)[C@@H](O)CSC(C)(C)C 86389742 572929253 /nfs/dbraw/zinc/92/92/53/572929253.db2.gz ASSUMXTVNHQSRX-BDAKNGLRSA-N 0 0 190.352 2.925 10 0 AFAERN COC(C)(C)CCC(=O)[C@H]1CC1(C)C 234581168 572929292 /nfs/dbraw/zinc/92/92/92/572929292.db2.gz AHOOLBOYLOPHHZ-SECBINFHSA-N 0 0 198.306 2.807 10 0 AFAERN CCCSC[C@H](O)[C@@H](C)CC 86389720 572929501 /nfs/dbraw/zinc/92/95/01/572929501.db2.gz UKPAUJFKSSJGGO-IUCAKERBSA-N 0 0 176.325 2.537 10 0 AFAERN CC[C@H](C)[C@H](O)c1cncn1C(C)C 86388515 572930080 /nfs/dbraw/zinc/93/00/80/572930080.db2.gz PXXCVSZKEUOZQB-ONGXEEELSA-N 0 0 196.294 2.544 10 0 AFAERN c1cc(OC2CC2)ccc1OC1CC1 238093868 572929453 /nfs/dbraw/zinc/92/94/53/572929453.db2.gz PZKXLNSYIYFZRY-UHFFFAOYSA-N 0 0 190.242 2.769 10 0 AFAERN CC[C@H](C)[C@@H](O)CSC(C)(C)C 86389746 572929543 /nfs/dbraw/zinc/92/95/43/572929543.db2.gz ASSUMXTVNHQSRX-IUCAKERBSA-N 0 0 190.352 2.925 10 0 AFAERN CCC(CC)[C@H](O)[C@H](C)CC 86387999 572929604 /nfs/dbraw/zinc/92/96/04/572929604.db2.gz GKILVODVUKBSGF-PSASIEDQSA-N 0 0 158.285 2.830 10 0 AFAERN CCc1ccc([C@@H](O)[C@@H](C)CC)o1 86388065 572929670 /nfs/dbraw/zinc/92/96/70/572929670.db2.gz JORAZVJMWKAHOX-KWQFWETISA-N 0 0 182.263 2.922 10 0 AFAERN CC[C@H](C)C(=O)CSC(C)C 86389017 572929699 /nfs/dbraw/zinc/92/96/99/572929699.db2.gz ZZDRSJQIILMFNG-QMMMGPOBSA-N 0 0 174.309 2.743 10 0 AFAERN CCCSC[C@H](O)[C@H](C)CC 86389723 572929731 /nfs/dbraw/zinc/92/97/31/572929731.db2.gz UKPAUJFKSSJGGO-BDAKNGLRSA-N 0 0 176.325 2.537 10 0 AFAERN CC[C@H](C)SC[C@H](O)[C@@H](C)CC 86389764 572929859 /nfs/dbraw/zinc/92/98/59/572929859.db2.gz WJWDXNOJPMMNPK-GUBZILKMSA-N 0 0 190.352 2.925 10 0 AFAERN CCCC/C=C/[C@@H]1[C@@H](CO)C1(F)F 308201486 572930012 /nfs/dbraw/zinc/93/00/12/572930012.db2.gz QDXCIFCIRYDHFE-JKKBLNIGSA-N 0 0 190.233 2.606 10 0 AFAERN CCCSC[C@@H](O)[C@H](C)CC 86389726 572930044 /nfs/dbraw/zinc/93/00/44/572930044.db2.gz UKPAUJFKSSJGGO-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN CC[C@@H](C)C(=O)CSC(C)C 86389015 572930071 /nfs/dbraw/zinc/93/00/71/572930071.db2.gz ZZDRSJQIILMFNG-MRVPVSSYSA-N 0 0 174.309 2.743 10 0 AFAERN Cc1cc(N)cc(C)c1OCCCF 88024002 572930095 /nfs/dbraw/zinc/93/00/95/572930095.db2.gz SMJBZLBFKRCVEX-UHFFFAOYSA-N 0 0 197.253 2.624 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1cncn1C(C)C 86388516 572930100 /nfs/dbraw/zinc/93/01/00/572930100.db2.gz PXXCVSZKEUOZQB-MWLCHTKSSA-N 0 0 196.294 2.544 10 0 AFAERN CCc1ccc(OCCCF)c(N)c1 88024005 572930124 /nfs/dbraw/zinc/93/01/24/572930124.db2.gz DNHIPVLWZQWTQP-UHFFFAOYSA-N 0 0 197.253 2.570 10 0 AFAERN CC[C@H](C)[C@@H](O)c1cncn1C(C)C 86388517 572930127 /nfs/dbraw/zinc/93/01/27/572930127.db2.gz PXXCVSZKEUOZQB-GXSJLCMTSA-N 0 0 196.294 2.544 10 0 AFAERN CC/C=C\CCOC(=O)/C=C\CC 308203583 572930354 /nfs/dbraw/zinc/93/03/54/572930354.db2.gz XBNXPENHUXUKLW-BSIYMUDXSA-N 0 0 182.263 2.852 10 0 AFAERN Cc1ccc(N)c(C)c1OCCCF 88023993 572930629 /nfs/dbraw/zinc/93/06/29/572930629.db2.gz BYFPEPPBQDZYPK-UHFFFAOYSA-N 0 0 197.253 2.624 10 0 AFAERN CC/C=C\CCOC(=O)/C=C/CC 308203585 572930661 /nfs/dbraw/zinc/93/06/61/572930661.db2.gz XBNXPENHUXUKLW-XCZNYUDNSA-N 0 0 182.263 2.852 10 0 AFAERN C/C=C(\CC)C(=O)OCC[C@@H](C)F 308203014 572930777 /nfs/dbraw/zinc/93/07/77/572930777.db2.gz WLXZQQQUERURGW-SXPLAPADSA-N 0 0 188.242 2.634 10 0 AFAERN CC/C=C/CCOC(=O)/C=C/CC 308203584 572931115 /nfs/dbraw/zinc/93/11/15/572931115.db2.gz XBNXPENHUXUKLW-PDTNFJSOSA-N 0 0 182.263 2.852 10 0 AFAERN c1cc2c(c(-n3cccn3)c1)CCCC2 238108173 572931180 /nfs/dbraw/zinc/93/11/80/572931180.db2.gz ZUFONBUPLVOFKL-UHFFFAOYSA-N 0 0 198.269 2.751 10 0 AFAERN CC[C@H](C)OC[C@H](O)C(C)(C)CC 308203280 572931200 /nfs/dbraw/zinc/93/12/00/572931200.db2.gz REPMGSPCAKIIHN-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN C/C=C\[C@@H]1[C@H](C)[C@@H]1[C@@H](O)CCCC 308202779 572931336 /nfs/dbraw/zinc/93/13/36/572931336.db2.gz QVYMCSQSQHUBTB-DKAKUZQQSA-N 0 0 182.307 2.996 10 0 AFAERN C/C=C(\CC)C(=O)OCC[C@H](C)F 308203012 572931409 /nfs/dbraw/zinc/93/14/09/572931409.db2.gz WLXZQQQUERURGW-DHFUWRPHSA-N 0 0 188.242 2.634 10 0 AFAERN C=C/C=C(\C)[C@@H]1CCCC[C@@H]1CO 308202666 572931572 /nfs/dbraw/zinc/93/15/72/572931572.db2.gz QTRXZYLSYMAQBC-IUEHSCGASA-N 0 0 180.291 2.917 10 0 AFAERN O[C@@H](CCCCF)c1ccccc1 88026685 572931608 /nfs/dbraw/zinc/93/16/08/572931608.db2.gz PIGCIJRJKFMZLK-NSHDSACASA-N 0 0 182.238 2.860 10 0 AFAERN CC(=O)CC[C@H]1CCCC[C@@H]1CCO 238105257 572931721 /nfs/dbraw/zinc/93/17/21/572931721.db2.gz JZZWAVRZZMLDQZ-VXGBXAGGSA-N 0 0 198.306 2.544 10 0 AFAERN CC[C@@H](C)OC[C@@H](O)C(C)(C)CC 308203279 572931834 /nfs/dbraw/zinc/93/18/34/572931834.db2.gz REPMGSPCAKIIHN-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)(C)[C@@H](O)CCCCF 88026695 572931887 /nfs/dbraw/zinc/93/18/87/572931887.db2.gz LVWASKYEDUYXRI-QMMMGPOBSA-N 0 0 162.248 2.533 10 0 AFAERN C/C=C(/CC)C(=O)OCC[C@H](C)F 308203015 572931895 /nfs/dbraw/zinc/93/18/95/572931895.db2.gz WLXZQQQUERURGW-ZKUGPGMGSA-N 0 0 188.242 2.634 10 0 AFAERN C[C@@H]1CC[C@@H]2[C@H](/C1=C/CO)C2(C)C 308202726 572931914 /nfs/dbraw/zinc/93/19/14/572931914.db2.gz QUJSDGKYHHPGNN-AURYYDEESA-N 0 0 180.291 2.607 10 0 AFAERN C[C@@H]1Cc2cccc(OC(F)F)c2N1 713781538 572932021 /nfs/dbraw/zinc/93/20/21/572932021.db2.gz QQXBRYJXAHNIOC-ZCFIWIBFSA-N 0 0 199.200 2.645 10 0 AFAERN CC(=O)[C@H](CCCF)C(C)C 88026012 572932100 /nfs/dbraw/zinc/93/21/00/572932100.db2.gz NLYIXGAQHHPOLZ-SECBINFHSA-N 0 0 160.232 2.597 10 0 AFAERN CC(=O)CC[C@H]1CCCC[C@H]1CCO 238105284 572932140 /nfs/dbraw/zinc/93/21/40/572932140.db2.gz JZZWAVRZZMLDQZ-NEPJUHHUSA-N 0 0 198.306 2.544 10 0 AFAERN CC[C@@H]1CC[C@@H](O)[C@H](CCCF)C1 88026730 572932247 /nfs/dbraw/zinc/93/22/47/572932247.db2.gz YONWATKYFMAMGO-GMTAPVOTSA-N 0 0 188.286 2.923 10 0 AFAERN CC/C=C\C(=O)OCC/C=C/CC 308203582 572932262 /nfs/dbraw/zinc/93/22/62/572932262.db2.gz XBNXPENHUXUKLW-BEDCHXNXSA-N 0 0 182.263 2.852 10 0 AFAERN CC(=O)CC[C@@H]1CCCC[C@@H]1CCO 238102416 572932292 /nfs/dbraw/zinc/93/22/92/572932292.db2.gz JZZWAVRZZMLDQZ-NWDGAFQWSA-N 0 0 198.306 2.544 10 0 AFAERN C/C=C(/CC)C(=O)OCC[C@@H](C)F 308203013 572932294 /nfs/dbraw/zinc/93/22/94/572932294.db2.gz WLXZQQQUERURGW-HMXLAXJASA-N 0 0 188.242 2.634 10 0 AFAERN CC[C@@H]1CC[C@H](O)[C@H](CCCF)C1 88026728 572932469 /nfs/dbraw/zinc/93/24/69/572932469.db2.gz YONWATKYFMAMGO-MXWKQRLJSA-N 0 0 188.286 2.923 10 0 AFAERN C[C@H]1Cc2cccc(OC(F)F)c2N1 713781529 572932590 /nfs/dbraw/zinc/93/25/90/572932590.db2.gz QQXBRYJXAHNIOC-LURJTMIESA-N 0 0 199.200 2.645 10 0 AFAERN CC(C)C[C@H](O)CCCCF 88026756 572932727 /nfs/dbraw/zinc/93/27/27/572932727.db2.gz BBKJIYQKFFSOOT-SECBINFHSA-N 0 0 162.248 2.533 10 0 AFAERN CC(C)(C)[C@H](O)CCCCF 88026694 572933214 /nfs/dbraw/zinc/93/32/14/572933214.db2.gz LVWASKYEDUYXRI-MRVPVSSYSA-N 0 0 162.248 2.533 10 0 AFAERN CC(C)C[C@@H](O)CCCCF 88026757 572933305 /nfs/dbraw/zinc/93/33/05/572933305.db2.gz BBKJIYQKFFSOOT-VIFPVBQESA-N 0 0 162.248 2.533 10 0 AFAERN CC(=O)CC[C@@H]1CCCC[C@H]1CCO 238102444 572933300 /nfs/dbraw/zinc/93/33/00/572933300.db2.gz JZZWAVRZZMLDQZ-RYUDHWBXSA-N 0 0 198.306 2.544 10 0 AFAERN O[C@H](CCCCF)c1ccccc1 88026684 572933459 /nfs/dbraw/zinc/93/34/59/572933459.db2.gz PIGCIJRJKFMZLK-LLVKDONJSA-N 0 0 182.238 2.860 10 0 AFAERN CCCN(CC(C)C)C(=O)OCC 308205126 572933591 /nfs/dbraw/zinc/93/35/91/572933591.db2.gz HFTNRUMRUYILQW-UHFFFAOYSA-N 0 0 187.283 2.511 10 0 AFAERN CCCC/C=C(\C)[C@@H](C)O 116787308 572933636 /nfs/dbraw/zinc/93/36/36/572933636.db2.gz LTSUSBRTIAXKOS-FCZSHJHJSA-N 0 0 142.242 2.504 10 0 AFAERN Cc1cc(C)c(F)c(F)c1F 199493951 572944170 /nfs/dbraw/zinc/94/41/70/572944170.db2.gz IPMGOQBIXSWVBW-UHFFFAOYSA-N 0 0 160.138 2.721 10 0 AFAERN CC(C)CC(=O)CCCCF 88026017 572933746 /nfs/dbraw/zinc/93/37/46/572933746.db2.gz KJQMXBBEWNEOLL-UHFFFAOYSA-N 0 0 160.232 2.741 10 0 AFAERN Cc1ccc(-c2cccc(N)n2)s1 84005885 572934420 /nfs/dbraw/zinc/93/44/20/572934420.db2.gz CFYSFEKFTCBJTL-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN COCCCCC(=O)CCC(C)C 308203947 572934222 /nfs/dbraw/zinc/93/42/22/572934222.db2.gz GOUZJAIBMPAGIZ-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC(C)c1cccc(C[C@H](C)CO)c1 116775817 572934266 /nfs/dbraw/zinc/93/42/66/572934266.db2.gz JMNQLAMETZEKBK-NSHDSACASA-N 0 0 192.302 2.981 10 0 AFAERN CCCC/C=C(\C)[C@H](C)O 116787311 572934276 /nfs/dbraw/zinc/93/42/76/572934276.db2.gz LTSUSBRTIAXKOS-FLOXNTQESA-N 0 0 142.242 2.504 10 0 AFAERN COCc1ccccc1NCCCF 88024714 572934339 /nfs/dbraw/zinc/93/43/39/572934339.db2.gz VVEHLJIALKEVOC-UHFFFAOYSA-N 0 0 197.253 2.605 10 0 AFAERN CCCc1nc(C(C)(C)OC)cs1 308205143 572934344 /nfs/dbraw/zinc/93/43/44/572934344.db2.gz YHVQWYYFFFJGHA-UHFFFAOYSA-N 0 0 199.319 2.977 10 0 AFAERN C/C(=C\CO)[C@@H](F)CCC(C)C 238122966 572934403 /nfs/dbraw/zinc/93/44/03/572934403.db2.gz ZFSYAURQHCXOFC-ZKXNXJMVSA-N 0 0 174.259 2.699 10 0 AFAERN Cc1ccccc1OCCCF 88027204 572934464 /nfs/dbraw/zinc/93/44/64/572934464.db2.gz OPXCKSQJOMEXCL-UHFFFAOYSA-N 0 0 168.211 2.733 10 0 AFAERN CCCCCC1=C[C@@H]2[C@@H](O)CC[C@H]12 308204665 572934498 /nfs/dbraw/zinc/93/44/98/572934498.db2.gz HAPACHPTHATPNN-WOPDTQHZSA-N 0 0 180.291 2.894 10 0 AFAERN CCC[C@H](C)/C=C(\C)[C@@H](C)O 116789960 572934540 /nfs/dbraw/zinc/93/45/40/572934540.db2.gz GSMMWXNQDOQXPR-BJHGEIEHSA-N 0 0 156.269 2.750 10 0 AFAERN CCC(=O)[C@H](C)C[C@@H]1CC[C@H](C)O1 299991857 572934582 /nfs/dbraw/zinc/93/45/82/572934582.db2.gz FLYRNWWFSUBJCV-UTLUCORTSA-N 0 0 184.279 2.559 10 0 AFAERN CCC(=O)[C@H](C)C[C@H]1CC[C@H](C)O1 299991856 572934585 /nfs/dbraw/zinc/93/45/85/572934585.db2.gz FLYRNWWFSUBJCV-KXUCPTDWSA-N 0 0 184.279 2.559 10 0 AFAERN CC(C)CC(C)(C)C[C@@H]1CCNC1=O 238126732 572934658 /nfs/dbraw/zinc/93/46/58/572934658.db2.gz JFCRIKUZKHJJAJ-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)CC[C@]1(C(N)=O)CC=CCC1 238119850 572934784 /nfs/dbraw/zinc/93/47/84/572934784.db2.gz KANFPOXMOBEICE-LBPRGKRZSA-N 0 0 195.306 2.634 10 0 AFAERN CCc1c(C)nc(C(C)C)nc1NC 50849290 572934999 /nfs/dbraw/zinc/93/49/99/572934999.db2.gz LGWQTPWHKLTCJX-UHFFFAOYSA-N 0 0 193.294 2.513 10 0 AFAERN CC(C)C[C@H](C)CC[C@@H](C)O 116790558 572935031 /nfs/dbraw/zinc/93/50/31/572935031.db2.gz MADAEMIVGVZJCU-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CCCC/C=C/[C@@H]1C=CC[C@H]1CO 308206974 572935081 /nfs/dbraw/zinc/93/50/81/572935081.db2.gz IQNCCVCSZMKESU-BAEOLTKYSA-N 0 0 180.291 2.917 10 0 AFAERN CCCCCC1=C[C@@H]2CC[C@H](O)[C@H]12 308206410 572935085 /nfs/dbraw/zinc/93/50/85/572935085.db2.gz IHDKBRNIFBWYBU-SDDRHHMPSA-N 0 0 180.291 2.894 10 0 AFAERN CCC[C@H](C)[C@H](C)C[C@@H](C)O 116790436 572935144 /nfs/dbraw/zinc/93/51/44/572935144.db2.gz LYLBCFVLKQRKKC-IVZWLZJFSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)CC[C@H](CC(C)C)C(N)=O 238122328 572935179 /nfs/dbraw/zinc/93/51/79/572935179.db2.gz LMWOIIVCZQUPED-SNVBAGLBSA-N 0 0 185.311 2.570 10 0 AFAERN CCC[C@H](C)/C=C(\C)[C@H](C)O 116789964 572935198 /nfs/dbraw/zinc/93/51/98/572935198.db2.gz GSMMWXNQDOQXPR-CFHQGVHJSA-N 0 0 156.269 2.750 10 0 AFAERN FCCCOc1ccc2[nH]ccc2c1 88027221 572935210 /nfs/dbraw/zinc/93/52/10/572935210.db2.gz VTKIJTURTOYOGX-UHFFFAOYSA-N 0 0 193.221 2.906 10 0 AFAERN CCC[C@H](C)[C@@H](C)C[C@@H](C)O 116790432 572935225 /nfs/dbraw/zinc/93/52/25/572935225.db2.gz LYLBCFVLKQRKKC-LPEHRKFASA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)C[C@@H](C)CC[C@H](C)O 116790560 572935240 /nfs/dbraw/zinc/93/52/40/572935240.db2.gz MADAEMIVGVZJCU-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN O=Cc1cc(O)ccc1-c1ccccc1 116762080 572935285 /nfs/dbraw/zinc/93/52/85/572935285.db2.gz CYBSSIARSYLNGC-UHFFFAOYSA-N 0 0 198.221 2.872 10 0 AFAERN CCCCOC[C@@H](O)C(C)(C)CC 308205670 572935298 /nfs/dbraw/zinc/93/52/98/572935298.db2.gz SPJJBCSRPYPZPR-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN C/C=C/C(=O)N1CCC(CCC)CC1 86409622 572935313 /nfs/dbraw/zinc/93/53/13/572935313.db2.gz NBIMUOOJORGBOZ-GQCTYLIASA-N 0 0 195.306 2.601 10 0 AFAERN CC(C)CC(C)(C)C[C@H]1CCNC1=O 238126783 572935320 /nfs/dbraw/zinc/93/53/20/572935320.db2.gz JFCRIKUZKHJJAJ-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)(/C=C/C[Si](C)(C)C)CO 238125192 572935403 /nfs/dbraw/zinc/93/54/03/572935403.db2.gz KKEWEPVRFQOZJW-VOTSOKGWSA-N 0 0 186.371 2.899 10 0 AFAERN C/C=C/C=C/C(=O)OC1CCCC1 116784568 572935491 /nfs/dbraw/zinc/93/54/91/572935491.db2.gz FVDLZYSCTUKIRH-DSXPNFDZSA-N 0 0 180.247 2.605 10 0 AFAERN CC(C)(Cc1ccccc1)C(N)=S 57904989 572935513 /nfs/dbraw/zinc/93/55/13/572935513.db2.gz BIXIJJKRYYCEEG-UHFFFAOYSA-N 0 0 193.315 2.541 10 0 AFAERN O=Cc1cccc(SCCCF)c1 88027163 572935615 /nfs/dbraw/zinc/93/56/15/572935615.db2.gz MBRSMKBGXXAWBZ-UHFFFAOYSA-N 0 0 198.262 2.951 10 0 AFAERN CCCC/C=C/[C@@H]1C=CC[C@@H]1CO 308206976 572935737 /nfs/dbraw/zinc/93/57/37/572935737.db2.gz IQNCCVCSZMKESU-ONYUAGEFSA-N 0 0 180.291 2.917 10 0 AFAERN CCOc1cccc(NCCCF)c1 88024745 572935810 /nfs/dbraw/zinc/93/58/10/572935810.db2.gz ALAXMPILUPYGDJ-UHFFFAOYSA-N 0 0 197.253 2.857 10 0 AFAERN FCCCOc1cccc(F)c1 88027211 572935816 /nfs/dbraw/zinc/93/58/16/572935816.db2.gz SPKOZBYAHPIGCR-UHFFFAOYSA-N 0 0 172.174 2.564 10 0 AFAERN CCc1cccc(OCCCF)c1 88027214 572935872 /nfs/dbraw/zinc/93/58/72/572935872.db2.gz JKMZDCIYRDYEEZ-UHFFFAOYSA-N 0 0 182.238 2.987 10 0 AFAERN FCCCOc1ccc(F)cc1 88027208 572935876 /nfs/dbraw/zinc/93/58/76/572935876.db2.gz CGXVHYKCHJEEOR-UHFFFAOYSA-N 0 0 172.174 2.564 10 0 AFAERN CCc1ccc(OCCCF)cc1 88027213 572935932 /nfs/dbraw/zinc/93/59/32/572935932.db2.gz NDUBPCKURLAMSU-UHFFFAOYSA-N 0 0 182.238 2.987 10 0 AFAERN C=C=CCCC(=O)CC(C)C 238120437 572935934 /nfs/dbraw/zinc/93/59/34/572935934.db2.gz JMPKIGQJGOOGNY-UHFFFAOYSA-N 0 0 152.237 2.723 10 0 AFAERN COc1ccc(NCCCF)cc1C 88024727 572935992 /nfs/dbraw/zinc/93/59/92/572935992.db2.gz HZFNROYQSCNQND-UHFFFAOYSA-N 0 0 197.253 2.775 10 0 AFAERN CCCC/C=C\[C@@H]1C=CC[C@H]1CO 308206977 572936163 /nfs/dbraw/zinc/93/61/63/572936163.db2.gz IQNCCVCSZMKESU-OXTPZFROSA-N 0 0 180.291 2.917 10 0 AFAERN CC(C)(C)SCCNn1cccc1 308205504 572936304 /nfs/dbraw/zinc/93/63/04/572936304.db2.gz YPHNDPWPIAHNCO-UHFFFAOYSA-N 0 0 198.335 2.563 10 0 AFAERN COCc1cccc(NCCCF)c1 88024713 572936375 /nfs/dbraw/zinc/93/63/75/572936375.db2.gz CADDWYXXYMFJAO-UHFFFAOYSA-N 0 0 197.253 2.605 10 0 AFAERN Cc1cccc(OCCCF)c1 88027210 572936402 /nfs/dbraw/zinc/93/64/02/572936402.db2.gz PMDYOFHGWCKSRW-UHFFFAOYSA-N 0 0 168.211 2.733 10 0 AFAERN CC(C)CC[C@@](C)(O)c1ccco1 308206201 572936579 /nfs/dbraw/zinc/93/65/79/572936579.db2.gz ZAYJPKLQOUYOJH-LLVKDONJSA-N 0 0 182.263 2.923 10 0 AFAERN CCCC/C=C\[C@@H]1C=CC[C@@H]1CO 308206975 572936676 /nfs/dbraw/zinc/93/66/76/572936676.db2.gz IQNCCVCSZMKESU-LWSHCTJVSA-N 0 0 180.291 2.917 10 0 AFAERN CC(C)CC[C@](C)(O)c1ccco1 308206202 572936751 /nfs/dbraw/zinc/93/67/51/572936751.db2.gz ZAYJPKLQOUYOJH-NSHDSACASA-N 0 0 182.263 2.923 10 0 AFAERN CCCCCC1=C[C@@H]2CC[C@H](O)[C@@H]12 308206412 572936828 /nfs/dbraw/zinc/93/68/28/572936828.db2.gz IHDKBRNIFBWYBU-SRVKXCTJSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@H]1CNc2cc(F)c(F)cc2N1 57923161 572937261 /nfs/dbraw/zinc/93/72/61/572937261.db2.gz UTSVITIFEZSBEO-LURJTMIESA-N 0 0 198.216 2.581 10 0 AFAERN COC(C)(C)C(=O)[C@@H](C)CC(C)C 308207002 572937268 /nfs/dbraw/zinc/93/72/68/572937268.db2.gz ZOJBCQASHCBDIP-VIFPVBQESA-N 0 0 186.295 2.663 10 0 AFAERN Cc1cc2c(cc1F)NCCCC2 57936221 572937427 /nfs/dbraw/zinc/93/74/27/572937427.db2.gz AJLJSWOVJILMPA-UHFFFAOYSA-N 0 0 179.238 2.882 10 0 AFAERN C/C=C(\CC)C(=O)N[C@@H](C)C(C)C 308196079 572937466 /nfs/dbraw/zinc/93/74/66/572937466.db2.gz QZUXEIJRMKIRNI-CMWXKVOJSA-N 0 0 183.295 2.503 10 0 AFAERN COC(C)(C)C(=O)[C@H](C)CC(C)C 308207001 572937621 /nfs/dbraw/zinc/93/76/21/572937621.db2.gz ZOJBCQASHCBDIP-SECBINFHSA-N 0 0 186.295 2.663 10 0 AFAERN CC(=O)C1(CC(F)(F)C(F)F)CC1 308207130 572937646 /nfs/dbraw/zinc/93/76/46/572937646.db2.gz IUAJUTSKIFGFJU-UHFFFAOYSA-N 0 0 198.159 2.646 10 0 AFAERN CCC(CC)[C@@H](O)CCCCOC 308195878 572937668 /nfs/dbraw/zinc/93/76/68/572937668.db2.gz MKYGLIPEZRZTMR-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@H]1CNc2cc(F)c(F)cc2N1 57923156 572938024 /nfs/dbraw/zinc/93/80/24/572938024.db2.gz UTSVITIFEZSBEO-ZCFIWIBFSA-N 0 0 198.216 2.581 10 0 AFAERN CC(C)=C(F)CC/C(C)=C/CO 238115949 572938063 /nfs/dbraw/zinc/93/80/63/572938063.db2.gz UUPLBRGGFFQEQH-RMKNXTFCSA-N 0 0 172.243 2.969 10 0 AFAERN C=Cc1ccc(COC(C)(C)C)[nH]1 238114498 572938175 /nfs/dbraw/zinc/93/81/75/572938175.db2.gz GZMGYOKXZMVKPE-UHFFFAOYSA-N 0 0 179.263 2.973 10 0 AFAERN Cc1cc2c(cc1C)NC(=O)CCC2 57936708 572938470 /nfs/dbraw/zinc/93/84/70/572938470.db2.gz RUMUPYQGPYIZRV-UHFFFAOYSA-N 0 0 189.258 2.578 10 0 AFAERN C/C=C(/CC)C(=O)N[C@H](C)C(C)C 308196082 572938631 /nfs/dbraw/zinc/93/86/31/572938631.db2.gz QZUXEIJRMKIRNI-WPVMNKCKSA-N 0 0 183.295 2.503 10 0 AFAERN CC(C)c1nc2cc(C=O)ccc2o1 57936601 572938669 /nfs/dbraw/zinc/93/86/69/572938669.db2.gz AXSVBCJLGSRPCV-UHFFFAOYSA-N 0 0 189.214 2.764 10 0 AFAERN CC(C)=C/C=C/C=C(/C)CCO 238117408 572939173 /nfs/dbraw/zinc/93/91/73/572939173.db2.gz UTVUZKWPFMDBPE-QEHYNQSVSA-N 0 0 166.264 2.838 10 0 AFAERN CCOC(=O)N(CC)C[C@@H](C)CC 86440558 572939426 /nfs/dbraw/zinc/93/94/26/572939426.db2.gz OLEKMDGBZKDSIP-VIFPVBQESA-N 0 0 187.283 2.511 10 0 AFAERN Cn1cnc2c1CC[C@H](C(C)(C)C)C2 76087303 572939464 /nfs/dbraw/zinc/93/94/64/572939464.db2.gz CCASAYGUIKAGID-VIFPVBQESA-N 0 0 192.306 2.571 10 0 AFAERN CC[C@H](C)CC(O)(C1CC1)C1CC1 308197420 572939647 /nfs/dbraw/zinc/93/96/47/572939647.db2.gz NOKHJBFITJDXIS-VIFPVBQESA-N 0 0 182.307 2.974 10 0 AFAERN CCOC(=O)N(CC)C[C@H](C)CC 86440557 572939658 /nfs/dbraw/zinc/93/96/58/572939658.db2.gz OLEKMDGBZKDSIP-SECBINFHSA-N 0 0 187.283 2.511 10 0 AFAERN Cn1cnc2c1[C@H](C(C)(C)C)CCC2 76087289 572939984 /nfs/dbraw/zinc/93/99/84/572939984.db2.gz JTBBMWAOWWCVHN-SECBINFHSA-N 0 0 192.306 2.886 10 0 AFAERN CCC[C@H](Nc1cnns1)C1CC1 308196864 572939744 /nfs/dbraw/zinc/93/97/44/572939744.db2.gz RPRVKAJJEWVBQE-QMMMGPOBSA-N 0 0 197.307 2.529 10 0 AFAERN CCC[C@H](Nn1cccc1)C1CC1 308196668 572939897 /nfs/dbraw/zinc/93/98/97/572939897.db2.gz RMKZXHIIYNDGIF-NSHDSACASA-N 0 0 178.279 2.610 10 0 AFAERN O[C@H](CSC1CC1)c1ccccc1 308197571 572939947 /nfs/dbraw/zinc/93/99/47/572939947.db2.gz UMFWQBLCPWZYNY-LLVKDONJSA-N 0 0 194.299 2.616 10 0 AFAERN C/C(=C/CCCC(C)C)CO 238137829 572940168 /nfs/dbraw/zinc/94/01/68/572940168.db2.gz APIZESPDEXTRCL-YFHOEESVSA-N 0 0 156.269 2.751 10 0 AFAERN CCC[C@@H](Nc1cnns1)C1CC1 308196863 572940157 /nfs/dbraw/zinc/94/01/57/572940157.db2.gz RPRVKAJJEWVBQE-MRVPVSSYSA-N 0 0 197.307 2.529 10 0 AFAERN CCC[C@@H](Nn1cccc1)C1CC1 308196666 572940514 /nfs/dbraw/zinc/94/05/14/572940514.db2.gz RMKZXHIIYNDGIF-LLVKDONJSA-N 0 0 178.279 2.610 10 0 AFAERN O[C@@H](CSC1CC1)c1ccccc1 308197572 572940518 /nfs/dbraw/zinc/94/05/18/572940518.db2.gz UMFWQBLCPWZYNY-NSHDSACASA-N 0 0 194.299 2.616 10 0 AFAERN C=Cc1ccc2c(c1)C1(CCC1)C(=O)N2 238139248 572940530 /nfs/dbraw/zinc/94/05/30/572940530.db2.gz QVCUZZYOONCJMM-UHFFFAOYSA-N 0 0 199.253 2.703 10 0 AFAERN CC(C)CCCCC[C@H]1CCC(=O)N1 238141019 572940600 /nfs/dbraw/zinc/94/06/00/572940600.db2.gz QFOGSMUPEODAFO-NSHDSACASA-N 0 0 197.322 2.872 10 0 AFAERN CCCC[C@H]1CCc2c(ncn2C)C1 76087314 572940805 /nfs/dbraw/zinc/94/08/05/572940805.db2.gz VRJYCUCUFIKEBC-JTQLQIEISA-N 0 0 192.306 2.715 10 0 AFAERN Cn1cnc2c1CC[C@@H](C(C)(C)C)C2 76087302 572941085 /nfs/dbraw/zinc/94/10/85/572941085.db2.gz CCASAYGUIKAGID-SECBINFHSA-N 0 0 192.306 2.571 10 0 AFAERN C/C=C(\C)C(=O)N[C@H](CC)C(C)C 308209580 572941215 /nfs/dbraw/zinc/94/12/15/572941215.db2.gz FPSXZMOZGFRCRM-OLKPEBQYSA-N 0 0 183.295 2.503 10 0 AFAERN Cn1cnc2c1[C@@H](C(C)(C)C)CCC2 76087292 572941779 /nfs/dbraw/zinc/94/17/79/572941779.db2.gz JTBBMWAOWWCVHN-VIFPVBQESA-N 0 0 192.306 2.886 10 0 AFAERN C/C=C\C(=O)OCC/C=C\CCC 308209910 572941972 /nfs/dbraw/zinc/94/19/72/572941972.db2.gz FWGVVBALFUPELW-LDCOQZMTSA-N 0 0 182.263 2.852 10 0 AFAERN CCCOc1ccc(OC)c(F)c1 308210724 572942278 /nfs/dbraw/zinc/94/22/78/572942278.db2.gz GGRUFCVKUVVWMG-UHFFFAOYSA-N 0 0 184.210 2.623 10 0 AFAERN CCC1(C(=O)O[C@@H](C)C2CC2)CC1 308210367 572942290 /nfs/dbraw/zinc/94/22/90/572942290.db2.gz GDEVWAJQLLGAGA-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN CCCc1nc(CN(C)CC)cs1 308209928 572942440 /nfs/dbraw/zinc/94/24/40/572942440.db2.gz FWWZTTZEZYYNAX-UHFFFAOYSA-N 0 0 198.335 2.547 10 0 AFAERN CCC(CC)(Cn1cccc1)OC 308210086 572942578 /nfs/dbraw/zinc/94/25/78/572942578.db2.gz VWQRVQQGFVNEQF-UHFFFAOYSA-N 0 0 181.279 2.693 10 0 AFAERN C/C=C(/C)C(=O)N[C@H](CC)C(C)C 308209577 572942644 /nfs/dbraw/zinc/94/26/44/572942644.db2.gz FPSXZMOZGFRCRM-ABRRARGCSA-N 0 0 183.295 2.503 10 0 AFAERN CCCC[C@H](CC)C(=O)OC1CC1 308210782 572942672 /nfs/dbraw/zinc/94/26/72/572942672.db2.gz GJSJHGBXPHODPF-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN C/C=C\C(=O)OCC/C=C/CCC 308209909 572942782 /nfs/dbraw/zinc/94/27/82/572942782.db2.gz FWGVVBALFUPELW-HCOPZPKMSA-N 0 0 182.263 2.852 10 0 AFAERN CC(C)CCCCC[C@@H]1CCC(=O)N1 238140933 572942807 /nfs/dbraw/zinc/94/28/07/572942807.db2.gz QFOGSMUPEODAFO-LLVKDONJSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@H](O)C(C1CCC1)C1CCC1 308207645 572943395 /nfs/dbraw/zinc/94/33/95/572943395.db2.gz UPCZTFHDLFJTTK-NSHDSACASA-N 0 0 182.307 2.974 10 0 AFAERN Cn1c(C(C)(C)C)nc2c1CCCC2 76091609 572942983 /nfs/dbraw/zinc/94/29/83/572942983.db2.gz SSWPOCDPTMJJGY-UHFFFAOYSA-N 0 0 192.306 2.596 10 0 AFAERN C/C=C/C(=O)OCC/C=C\CCC 308209912 572943132 /nfs/dbraw/zinc/94/31/32/572943132.db2.gz FWGVVBALFUPELW-WSISTYIOSA-N 0 0 182.263 2.852 10 0 AFAERN C/C(=C/CO)[C@@H]1CC[C@@H]2[C@H]1C2(C)C 308210398 572943137 /nfs/dbraw/zinc/94/31/37/572943137.db2.gz KQUHXKLUHPYOIU-AEICCXGLSA-N 0 0 180.291 2.607 10 0 AFAERN CCC/C=C\C(=O)O[C@]1(C)C[C@H]1C 308207516 572943292 /nfs/dbraw/zinc/94/32/92/572943292.db2.gz DEYPOYJYUHRENM-BCVXMLFPSA-N 0 0 182.263 2.684 10 0 AFAERN CCCCC1=C[C@H]2CCC(=O)[C@@H]12 222613282 572943420 /nfs/dbraw/zinc/94/34/20/572943420.db2.gz IENXVNOIPSRGBA-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CCOC(=O)[C@H](CC)[C@H](C)CC 214811245 572943439 /nfs/dbraw/zinc/94/34/39/572943439.db2.gz JUOFQZPNNRPDEY-RKDXNWHRSA-N 0 0 172.268 2.622 10 0 AFAERN CCC[C@@H](C)C(=O)OCC[C@@H](C)F 308211748 572943545 /nfs/dbraw/zinc/94/35/45/572943545.db2.gz GTMGDAKFKKVASL-RKDXNWHRSA-N 0 0 190.258 2.714 10 0 AFAERN CC[C@@H](O)C(C1CCC1)C1CCC1 308207644 572943886 /nfs/dbraw/zinc/94/38/86/572943886.db2.gz UPCZTFHDLFJTTK-LLVKDONJSA-N 0 0 182.307 2.974 10 0 AFAERN COCSc1c[nH]c2ccccc12 222601895 572943946 /nfs/dbraw/zinc/94/39/46/572943946.db2.gz LLSLVMLRNLXQGH-UHFFFAOYSA-N 0 0 193.271 2.864 10 0 AFAERN CCC[C@H](CC)OC(=O)[C@H]1C[C@@H]1C 308211752 572943950 /nfs/dbraw/zinc/94/39/50/572943950.db2.gz GTSNMOMBRLHHDE-GUBZILKMSA-N 0 0 184.279 2.764 10 0 AFAERN CCOC(=O)[C@@H](CC)[C@H](C)CC 214811343 572943973 /nfs/dbraw/zinc/94/39/73/572943973.db2.gz JUOFQZPNNRPDEY-BDAKNGLRSA-N 0 0 172.268 2.622 10 0 AFAERN CC(C)CCC[C@]1(O)CC[C@H]2C[C@H]21 308207426 572944139 /nfs/dbraw/zinc/94/41/39/572944139.db2.gz IWAABNDYIDJHIV-TUAOUCFPSA-N 0 0 182.307 2.974 10 0 AFAERN CCOc1ccc(N)c(SCC)c1 86478464 572944157 /nfs/dbraw/zinc/94/41/57/572944157.db2.gz GWOHBILDAKOBJC-UHFFFAOYSA-N 0 0 197.303 2.780 10 0 AFAERN CC(C)CCC[C@]1(O)CC[C@@H]2C[C@@H]21 308207433 572944489 /nfs/dbraw/zinc/94/44/89/572944489.db2.gz IWAABNDYIDJHIV-WOPDTQHZSA-N 0 0 182.307 2.974 10 0 AFAERN COC(C)(C)CCC1(C(C)=O)CC1 234583453 572944595 /nfs/dbraw/zinc/94/45/95/572944595.db2.gz KDWUNQMVXNDOAM-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CCC/C=C\C(=O)O[C@]1(C)C[C@@H]1C 308207523 572944870 /nfs/dbraw/zinc/94/48/70/572944870.db2.gz DEYPOYJYUHRENM-RWTFEVOBSA-N 0 0 182.263 2.684 10 0 AFAERN CCC[C@@H](C)C(=O)OCC[C@H](C)F 308211745 572945026 /nfs/dbraw/zinc/94/50/26/572945026.db2.gz GTMGDAKFKKVASL-BDAKNGLRSA-N 0 0 190.258 2.714 10 0 AFAERN CCCCC[C@](C)(O)c1ccc[nH]1 308212115 572945212 /nfs/dbraw/zinc/94/52/12/572945212.db2.gz LQQKHSGPSRYBGM-NSHDSACASA-N 0 0 181.279 2.803 10 0 AFAERN CCCC[C@H](C)OC(=O)[C@H]1C[C@@H]1C 308212097 572945231 /nfs/dbraw/zinc/94/52/31/572945231.db2.gz GVKWUWWLIAWOKF-GUBZILKMSA-N 0 0 184.279 2.764 10 0 AFAERN CCCCC1=C[C@H]2CCC(=O)[C@H]12 222613155 572945270 /nfs/dbraw/zinc/94/52/70/572945270.db2.gz IENXVNOIPSRGBA-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CCC/C=C/C(=O)O[C@]1(C)C[C@@H]1C 308207521 572945312 /nfs/dbraw/zinc/94/53/12/572945312.db2.gz DEYPOYJYUHRENM-DLJWJUBYSA-N 0 0 182.263 2.684 10 0 AFAERN CCC/C=C/C(=O)O[C@]1(C)C[C@H]1C 308207518 572945314 /nfs/dbraw/zinc/94/53/14/572945314.db2.gz DEYPOYJYUHRENM-CJDYZKGVSA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)[C@@H]1CNc2cc(F)ccc2O1 58235125 572945452 /nfs/dbraw/zinc/94/54/52/572945452.db2.gz CNAQCDLFBAWIPZ-NSHDSACASA-N 0 0 195.237 2.655 10 0 AFAERN CCCC[C@@]12C=C[C@H]1CCC2=O 222614578 572945949 /nfs/dbraw/zinc/94/59/49/572945949.db2.gz NKDUMZZJQHWRHQ-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN C1=C[C@H]2O[C@@H]1c1c2ccc2[nH]ccc12 208132712 572946072 /nfs/dbraw/zinc/94/60/72/572946072.db2.gz ZXTQSQZDCPVYMJ-MNOVXSKESA-N 0 0 183.210 2.850 10 0 AFAERN CCCC/C=C1\CCC[C@@H]1O 211679792 572946084 /nfs/dbraw/zinc/94/60/84/572946084.db2.gz IPIJUNGFPIEEBR-ZKXNXJMVSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)=CCC/C=C/OCCCO 238141706 572946112 /nfs/dbraw/zinc/94/61/12/572946112.db2.gz HIBSBOWZMWYUPW-WEVVVXLNSA-N 0 0 184.279 2.646 10 0 AFAERN CCCCCN(OC)C1CCCC1 308208856 572946873 /nfs/dbraw/zinc/94/68/73/572946873.db2.gz FDTTZAKUYRZQQH-UHFFFAOYSA-N 0 0 185.311 2.983 10 0 AFAERN CCOC(=O)/C=C\C(CC)CC 199514912 572946894 /nfs/dbraw/zinc/94/68/94/572946894.db2.gz BKITUKDKCCMPNO-FPLPWBNLSA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)(C)SC[C@@H](O)c1ccc[nH]1 308208649 572946651 /nfs/dbraw/zinc/94/66/51/572946651.db2.gz JUAYSOUKLIODSG-SECBINFHSA-N 0 0 199.319 2.580 10 0 AFAERN CC(C)(C)SC[C@H](O)c1ccc[nH]1 308208651 572946821 /nfs/dbraw/zinc/94/68/21/572946821.db2.gz JUAYSOUKLIODSG-VIFPVBQESA-N 0 0 199.319 2.580 10 0 AFAERN CCCC[C@]12C=C[C@H]1CCC2=O 222614653 572946823 /nfs/dbraw/zinc/94/68/23/572946823.db2.gz NKDUMZZJQHWRHQ-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CCCOC[C@@H]1CCCCC(=O)C1 86528254 572947182 /nfs/dbraw/zinc/94/71/82/572947182.db2.gz TWWWBBRUDQQVKZ-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CCC[C@@H]1C[C@@H]1C(=O)O[C@H](C)CC 308208848 572947326 /nfs/dbraw/zinc/94/73/26/572947326.db2.gz FDKZZTBGJQNFLO-BBBLOLIVSA-N 0 0 184.279 2.764 10 0 AFAERN CCCOC[C@@H]1CCCCCC1=O 86527538 572947374 /nfs/dbraw/zinc/94/73/74/572947374.db2.gz RHKIRNTYMIGGFM-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN C[C@]1(/C=C\[Si](C)(C)C)CCC[C@H]1O 308207971 572947483 /nfs/dbraw/zinc/94/74/83/572947483.db2.gz JJCZIGNODIHNNG-DLXGREBBSA-N 0 0 198.382 2.971 10 0 AFAERN CCC[C@@H](C)NN1[C@@H](C)CCC[C@H]1C 214042592 572947565 /nfs/dbraw/zinc/94/75/65/572947565.db2.gz MVWGUTXPCUNMEY-UTUOFQBUSA-N 0 0 198.354 2.943 10 0 AFAERN CCCOC[C@H]1CCCCC(=O)C1 86528257 572947497 /nfs/dbraw/zinc/94/74/97/572947497.db2.gz TWWWBBRUDQQVKZ-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN CCCCC1=C[C@@H]2C(=O)CC[C@H]12 222613663 572947541 /nfs/dbraw/zinc/94/75/41/572947541.db2.gz IAGJFBQITWAYLI-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CCCC[C@@]12C=C[C@@H]1CCC2=O 222614450 572947725 /nfs/dbraw/zinc/94/77/25/572947725.db2.gz NKDUMZZJQHWRHQ-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN CCCOC[C@H]1CCCCCC1=O 86527539 572948067 /nfs/dbraw/zinc/94/80/67/572948067.db2.gz RHKIRNTYMIGGFM-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CCCOCCCC(=O)CCC 86528240 572948156 /nfs/dbraw/zinc/94/81/56/572948156.db2.gz HMDSXCBTFYKIGK-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN CC/C=C\CCOc1ccccn1 308215157 572948223 /nfs/dbraw/zinc/94/82/23/572948223.db2.gz IYKCVSIOBCORFY-ARJAWSKDSA-N 0 0 177.247 2.817 10 0 AFAERN C/C=C/C=C\C(=O)OC/C=C\CC 308214775 572948278 /nfs/dbraw/zinc/94/82/78/572948278.db2.gz ILXDIBVDNGYOFQ-CZPVTHQTSA-N 0 0 180.247 2.628 10 0 AFAERN CCC[C@H](C)NN1[C@@H](C)CCC[C@H]1C 214042648 572948520 /nfs/dbraw/zinc/94/85/20/572948520.db2.gz MVWGUTXPCUNMEY-SDDRHHMPSA-N 0 0 198.354 2.943 10 0 AFAERN CCC/C=C\C(=O)O[C@@H](C)C1CC1 308215300 572948282 /nfs/dbraw/zinc/94/82/82/572948282.db2.gz JAFMTQGQNXWDSU-UDIARPCQSA-N 0 0 182.263 2.684 10 0 AFAERN CC[C@H](C)OC(=O)C1(C)CCCC1 308214138 572948321 /nfs/dbraw/zinc/94/83/21/572948321.db2.gz ICPZJVIYRQCENT-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN CC/C=C/C(=O)N[C@@H](CC)CCC 308215014 572948498 /nfs/dbraw/zinc/94/84/98/572948498.db2.gz ISYYLAUPXAABRX-PCYYEKQGSA-N 0 0 183.295 2.648 10 0 AFAERN CCC/C=C/C(=O)O[C@@H](C)C(C)C 308215139 572948830 /nfs/dbraw/zinc/94/88/30/572948830.db2.gz IWZIOBYNDOECFK-JARNTUPDSA-N 0 0 184.279 2.930 10 0 AFAERN CC/C=C/CCOc1ccccn1 308215158 572948872 /nfs/dbraw/zinc/94/88/72/572948872.db2.gz IYKCVSIOBCORFY-ONEGZZNKSA-N 0 0 177.247 2.817 10 0 AFAERN CCCCOC(=O)[C@@H]1C[C@H]1C(C)C 308214113 572948887 /nfs/dbraw/zinc/94/88/87/572948887.db2.gz IASKTEMFPYMGHQ-VHSXEESVSA-N 0 0 184.279 2.622 10 0 AFAERN CC/C=C\C(=O)N[C@@H](CC)CCC 308215015 572949010 /nfs/dbraw/zinc/94/90/10/572949010.db2.gz ISYYLAUPXAABRX-RNKPRXRFSA-N 0 0 183.295 2.648 10 0 AFAERN CCC/C=C/C(=O)O[C@H](C)C(C)C 308215140 572949101 /nfs/dbraw/zinc/94/91/01/572949101.db2.gz IWZIOBYNDOECFK-QROSGCPLSA-N 0 0 184.279 2.930 10 0 AFAERN CCC[C@@H](C)Sc1cccc[n+]1[O-] 308213113 572949140 /nfs/dbraw/zinc/94/91/40/572949140.db2.gz HLGCEHONMHAZRV-SECBINFHSA-N 0 0 197.303 2.601 10 0 AFAERN CCCOCCCC(=O)C(C)(C)C 86528245 572949227 /nfs/dbraw/zinc/94/92/27/572949227.db2.gz VWOJHDFCFIHPNI-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCCC(=O)O[C@@]1(C)C=CCCC1 308213874 572949339 /nfs/dbraw/zinc/94/93/39/572949339.db2.gz HYECEKAUYOSROK-NSHDSACASA-N 0 0 182.263 2.829 10 0 AFAERN CCCC(C)(C)CC(=O)OC1CC1 308215149 572949353 /nfs/dbraw/zinc/94/93/53/572949353.db2.gz IXZQUZRKAYJIDR-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CCC/C=C\C(=O)O[C@H](C)C(C)C 308215138 572949400 /nfs/dbraw/zinc/94/94/00/572949400.db2.gz IWZIOBYNDOECFK-GQYWMQPJSA-N 0 0 184.279 2.930 10 0 AFAERN CCC/C=C\C(=O)O[C@@H](C)C(C)C 308215137 572949661 /nfs/dbraw/zinc/94/96/61/572949661.db2.gz IWZIOBYNDOECFK-DMEOUFDRSA-N 0 0 184.279 2.930 10 0 AFAERN CCCOCC1=C[C@H](O)CC(C)(C)C1 86529481 572949686 /nfs/dbraw/zinc/94/96/86/572949686.db2.gz ZRBXTVFRPAOELJ-NSHDSACASA-N 0 0 198.306 2.520 10 0 AFAERN CCC/C=C/C(=O)O[C@@H](C)C1CC1 308215299 572949720 /nfs/dbraw/zinc/94/97/20/572949720.db2.gz JAFMTQGQNXWDSU-CYNONHLPSA-N 0 0 182.263 2.684 10 0 AFAERN C/C=C/C=C\C(=O)OC/C=C/CC 308214778 572949727 /nfs/dbraw/zinc/94/97/27/572949727.db2.gz ILXDIBVDNGYOFQ-UUHJAJEKSA-N 0 0 180.247 2.628 10 0 AFAERN CCCCOC(=O)[C@H]1C[C@@H]1C(C)C 308214114 572949847 /nfs/dbraw/zinc/94/98/47/572949847.db2.gz IASKTEMFPYMGHQ-ZJUUUORDSA-N 0 0 184.279 2.622 10 0 AFAERN CC/C=C/C(=O)N[C@H](CC)CCC 308215016 572949855 /nfs/dbraw/zinc/94/98/55/572949855.db2.gz ISYYLAUPXAABRX-TTZKWOQHSA-N 0 0 183.295 2.648 10 0 AFAERN CC(C)CCC[C@@H](C)CCC(N)=O 238145573 572950090 /nfs/dbraw/zinc/95/00/90/572950090.db2.gz SWLMTKKOXBZQLI-SNVBAGLBSA-N 0 0 185.311 2.714 10 0 AFAERN CC(C)(C)CC(CC(C)(C)C)C(N)=O 238146094 572950132 /nfs/dbraw/zinc/95/01/32/572950132.db2.gz WRGNYIRCBBMTLL-UHFFFAOYSA-N 0 0 199.338 2.960 10 0 AFAERN COc1c(C)cc2c(c1C)C[C@H](C)N2 713793051 572950142 /nfs/dbraw/zinc/95/01/42/572950142.db2.gz DICHZRJITLNQRN-QMMMGPOBSA-N 0 0 191.274 2.669 10 0 AFAERN CCCOCCC[C@H](O)C(C)(C)C 86529352 572950310 /nfs/dbraw/zinc/95/03/10/572950310.db2.gz OVUBPRNVPBCTQZ-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN O=C1CCC[C@@H]1CCOC1CCCC1 86531706 572950679 /nfs/dbraw/zinc/95/06/79/572950679.db2.gz VYEQRYJBLNWOSO-SNVBAGLBSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)(C)OCC[C@H]1CCCC1=O 86531810 572950726 /nfs/dbraw/zinc/95/07/26/572950726.db2.gz FCFVPAJZJCAHMI-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CCCOCCC[C@@H](O)C(C)(C)C 86529354 572950744 /nfs/dbraw/zinc/95/07/44/572950744.db2.gz OVUBPRNVPBCTQZ-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CC(=O)CCSC1CCCC1 58443031 572950774 /nfs/dbraw/zinc/95/07/74/572950774.db2.gz KLEIDKGAYOBNTH-UHFFFAOYSA-N 0 0 172.293 2.641 10 0 AFAERN CCCCCOCC[C@@H]1CCCC1=O 86531891 572950776 /nfs/dbraw/zinc/95/07/76/572950776.db2.gz RGCBIBWHSXXRLI-NSHDSACASA-N 0 0 198.306 2.953 10 0 AFAERN CC[C@@H](C)OCC[C@H]1CCCC1=O 86531910 572950840 /nfs/dbraw/zinc/95/08/40/572950840.db2.gz GVAUCBVXCWXKPZ-NXEZZACHSA-N 0 0 184.279 2.561 10 0 AFAERN CCCOCC1=C[C@@H](O)CC(C)(C)C1 86529484 572950869 /nfs/dbraw/zinc/95/08/69/572950869.db2.gz ZRBXTVFRPAOELJ-LLVKDONJSA-N 0 0 198.306 2.520 10 0 AFAERN CCC1([C@@H](O)CCCC(F)F)CC1 687936305 572950872 /nfs/dbraw/zinc/95/08/72/572950872.db2.gz WBEVBBKTVKCESS-QMMMGPOBSA-N 0 0 192.249 2.973 10 0 AFAERN CC[C@H](C)OCC[C@H]1CCCC1=O 86531911 572950906 /nfs/dbraw/zinc/95/09/06/572950906.db2.gz GVAUCBVXCWXKPZ-VHSXEESVSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(C)(C)OCC[C@@H]1CCCC1=O 86531817 572950914 /nfs/dbraw/zinc/95/09/14/572950914.db2.gz QXDYALUZPQMVRP-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@H](C)OCC[C@@H]1CCCC1=O 86531905 572950997 /nfs/dbraw/zinc/95/09/97/572950997.db2.gz GVAUCBVXCWXKPZ-ZJUUUORDSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCOCC[C@H]1CCCC1=O 86531893 572951020 /nfs/dbraw/zinc/95/10/20/572951020.db2.gz RGCBIBWHSXXRLI-LLVKDONJSA-N 0 0 198.306 2.953 10 0 AFAERN CCC1([C@H](O)CCCC(F)F)CC1 687936303 572951055 /nfs/dbraw/zinc/95/10/55/572951055.db2.gz WBEVBBKTVKCESS-MRVPVSSYSA-N 0 0 192.249 2.973 10 0 AFAERN CCC(C)(C)OCC[C@H]1CCCC1=O 86531818 572951111 /nfs/dbraw/zinc/95/11/11/572951111.db2.gz QXDYALUZPQMVRP-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)(C)OCC[C@@H]1CCCC1=O 86531809 572951147 /nfs/dbraw/zinc/95/11/47/572951147.db2.gz FCFVPAJZJCAHMI-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)OCC(=O)[C@@H]1CCC[C@H](C)C1 86521482 572951521 /nfs/dbraw/zinc/95/15/21/572951521.db2.gz UOLHNZGMPSGJDT-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN CC1CCC(C(=O)COC(C)C)CC1 86521483 572951773 /nfs/dbraw/zinc/95/17/73/572951773.db2.gz ILBOBNHPKFKLCM-UHFFFAOYSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ccc(-c2cocn2)c(C)c1 58518564 572952606 /nfs/dbraw/zinc/95/26/06/572952606.db2.gz BAEZQNJIPIUNDA-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1ncoc1-c1cccs1 58518056 572951870 /nfs/dbraw/zinc/95/18/70/572951870.db2.gz HAWLMJHDTHVQDZ-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN Cc1ccc(C)c(-c2cocn2)c1 58518560 572952004 /nfs/dbraw/zinc/95/20/04/572952004.db2.gz KVAGTWMOOAFZLK-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CC(C)OCC(=O)C1CCCCC1 86521387 572952053 /nfs/dbraw/zinc/95/20/53/572952053.db2.gz WWIWNOVSUAXEGZ-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCC[C@@H](O)COC(C)C 86519913 572952096 /nfs/dbraw/zinc/95/20/96/572952096.db2.gz SXUJTKIGURVSJN-LLVKDONJSA-N 0 0 188.311 2.743 10 0 AFAERN CC(C)OCC(=O)[C@@H]1CCC[C@@H](C)C1 86521480 572952154 /nfs/dbraw/zinc/95/21/54/572952154.db2.gz UOLHNZGMPSGJDT-GHMZBOCLSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ncoc1-c1ccccc1F 58519038 572952241 /nfs/dbraw/zinc/95/22/41/572952241.db2.gz JCFSZOWQYDPDFQ-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN Cc1ccc(-c2ocnc2C)cc1 58518551 572952347 /nfs/dbraw/zinc/95/23/47/572952347.db2.gz OYHHTLZNGTUWQE-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN Cc1ncsc1-c1ccccn1 58518960 572952359 /nfs/dbraw/zinc/95/23/59/572952359.db2.gz OEUBNDDTEZCLNY-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1cc(-c2cocn2)ccc1F 58519043 572952448 /nfs/dbraw/zinc/95/24/48/572952448.db2.gz VDYNQENLWXPIJQ-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN Cc1ncsc1-c1cccnc1 58518962 572952468 /nfs/dbraw/zinc/95/24/68/572952468.db2.gz FRKSHFPYIOLJSZ-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1ccccc1[C@H]1CC[C@@H](O)C1 58518974 572952689 /nfs/dbraw/zinc/95/26/89/572952689.db2.gz NTSJXBUJPKSHSH-WDEREUQCSA-N 0 0 176.259 2.623 10 0 AFAERN Cc1ncsc1-c1ccncc1 58518966 572953461 /nfs/dbraw/zinc/95/34/61/572953461.db2.gz YKMJIRPJGQECBQ-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1cccc([C@H]2CC[C@H](O)C2)c1 58518980 572952890 /nfs/dbraw/zinc/95/28/90/572952890.db2.gz UIBOAOGUWMSHLY-RYUDHWBXSA-N 0 0 176.259 2.623 10 0 AFAERN Cc1nc(-c2cccs2)co1 58518059 572952998 /nfs/dbraw/zinc/95/29/98/572952998.db2.gz QVTDSIQVWZIKPI-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN Cc1ncoc1-c1ccc(F)cc1 58519040 572953021 /nfs/dbraw/zinc/95/30/21/572953021.db2.gz FLNSFSVMCVFGCE-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN Cc1cccc([C@@H]2CC[C@@H](O)C2)c1 58518981 572953073 /nfs/dbraw/zinc/95/30/73/572953073.db2.gz UIBOAOGUWMSHLY-VXGBXAGGSA-N 0 0 176.259 2.623 10 0 AFAERN Cc1ncsc1-c1ccco1 58518055 572953128 /nfs/dbraw/zinc/95/31/28/572953128.db2.gz LAXXGTBVZQOADD-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN CC[C@H]1CC[C@@H](C(=O)COC(C)C)C1 86522005 572953142 /nfs/dbraw/zinc/95/31/42/572953142.db2.gz OTHWUWVQVQCWLM-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ccc(-c2cocn2)cc1C 58518557 572953267 /nfs/dbraw/zinc/95/32/67/572953267.db2.gz APQZQEBTJNESEE-UHFFFAOYSA-N 0 0 173.215 2.958 10 0 AFAERN CC(C)=CCC/C(C)=C/CNC#N 238143795 572953183 /nfs/dbraw/zinc/95/31/83/572953183.db2.gz AOPWPEOHEGQPHG-YRNVUSSQSA-N 0 0 178.279 2.750 10 0 AFAERN CC(C)OCC(=O)C1CCCCCC1 86521928 572953198 /nfs/dbraw/zinc/95/31/98/572953198.db2.gz DHGXKOHLFMOPGK-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CCCC1CCC(C(=O)COC)CC1 86521934 572953549 /nfs/dbraw/zinc/95/35/49/572953549.db2.gz MEPQNPXJNYTHNB-UHFFFAOYSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1ccc(C(C)(C)CO)cc1C 58519204 572953351 /nfs/dbraw/zinc/95/33/51/572953351.db2.gz RONZQVSHDQVVNH-UHFFFAOYSA-N 0 0 178.275 2.573 10 0 AFAERN CC[C@H]1CC[C@H](C(=O)COC(C)C)C1 86522000 572953382 /nfs/dbraw/zinc/95/33/82/572953382.db2.gz OTHWUWVQVQCWLM-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H]1CC[C@H](C(=O)COC(C)C)C1 86521999 572953621 /nfs/dbraw/zinc/95/36/21/572953621.db2.gz OTHWUWVQVQCWLM-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN CCCOCC(=O)C1CCCCCC1 86521931 572953822 /nfs/dbraw/zinc/95/38/22/572953822.db2.gz QIFDOYRVVRZAAK-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CC(C)=CCC[C@H](O)C1(C)CC1 238148995 572953832 /nfs/dbraw/zinc/95/38/32/572953832.db2.gz YWNHUVRCVAEXQE-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN COCC(=O)C1CCC(C(C)C)CC1 86521942 572953965 /nfs/dbraw/zinc/95/39/65/572953965.db2.gz YQPHOVSDVCWRIB-UHFFFAOYSA-N 0 0 198.306 2.664 10 0 AFAERN CC(=O)c1cccc2cccc(C=O)c12 238148350 572953988 /nfs/dbraw/zinc/95/39/88/572953988.db2.gz MDZDRHLZOOJKBB-UHFFFAOYSA-N 0 0 198.221 2.855 10 0 AFAERN CCCOCC(=O)[C@H]1CC[C@H](CC)C1 86522019 572954016 /nfs/dbraw/zinc/95/40/16/572954016.db2.gz JVSFIPGWOQQUGK-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN CCOCC(=O)C1CCCCCC1 86521929 572954100 /nfs/dbraw/zinc/95/41/00/572954100.db2.gz UIANEHLDFXLBET-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCCOCC(=O)[C@@H]1CC[C@@H](CC)C1 86522021 572954104 /nfs/dbraw/zinc/95/41/04/572954104.db2.gz JVSFIPGWOQQUGK-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1c(N)cc(Cl)c2c1C[C@@H](C)N2 713794974 572954268 /nfs/dbraw/zinc/95/42/68/572954268.db2.gz MGCCVPBNHDVKQX-RXMQYKEDSA-N 0 0 196.681 2.587 10 0 AFAERN CC(C)=CCCC/C=C/CO 238145310 572954419 /nfs/dbraw/zinc/95/44/19/572954419.db2.gz QBCXFGLNXNHPOJ-FNORWQNLSA-N 0 0 154.253 2.671 10 0 AFAERN CCCOCC(=O)[C@@H]1CC[C@H](CC)C1 86522018 572954440 /nfs/dbraw/zinc/95/44/40/572954440.db2.gz JVSFIPGWOQQUGK-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H]1CC[C@@H](C(=O)COC(C)C)C1 86522002 572954626 /nfs/dbraw/zinc/95/46/26/572954626.db2.gz OTHWUWVQVQCWLM-GHMZBOCLSA-N 0 0 198.306 2.807 10 0 AFAERN CCCOCC(=O)[C@H]1CC[C@@H](CC)C1 86522023 572954630 /nfs/dbraw/zinc/95/46/30/572954630.db2.gz JVSFIPGWOQQUGK-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN CC(C)CCC[C@H](C)CCC(N)=O 238148906 572954631 /nfs/dbraw/zinc/95/46/31/572954631.db2.gz SWLMTKKOXBZQLI-JTQLQIEISA-N 0 0 185.311 2.714 10 0 AFAERN Cc1nc(C)c(-c2ccncc2)s1 58521304 572954783 /nfs/dbraw/zinc/95/47/83/572954783.db2.gz KFNDCONGGOSSLK-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN Cc1c(N)cc(Cl)c2c1C[C@H](C)N2 713794976 572954809 /nfs/dbraw/zinc/95/48/09/572954809.db2.gz MGCCVPBNHDVKQX-YFKPBYRVSA-N 0 0 196.681 2.587 10 0 AFAERN Cc1nc(C)c(-c2cccnc2)s1 58521303 572954815 /nfs/dbraw/zinc/95/48/15/572954815.db2.gz LLEOTOBNGJNQJZ-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CC(C)(C)CCCCCCC(N)=O 238146987 572954891 /nfs/dbraw/zinc/95/48/91/572954891.db2.gz UQZGHRZNHKOYQY-UHFFFAOYSA-N 0 0 185.311 2.858 10 0 AFAERN CC(C)COCN(O)c1ccccc1 238151161 572955018 /nfs/dbraw/zinc/95/50/18/572955018.db2.gz KSACKEXOPHUVSA-UHFFFAOYSA-N 0 0 195.262 2.512 10 0 AFAERN CC(=O)CCC[C@H](O)CCC=C(C)C 238146707 572955040 /nfs/dbraw/zinc/95/50/40/572955040.db2.gz TWRGZDQLMIUDOJ-GFCCVEGCSA-N 0 0 198.306 2.853 10 0 AFAERN Cc1nc(C)c(-c2ccccn2)s1 58521302 572955066 /nfs/dbraw/zinc/95/50/66/572955066.db2.gz PSYUXDXVXBFHEQ-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CC(C)[C@@H](CO)Sc1ccccc1 238152899 572955922 /nfs/dbraw/zinc/95/59/22/572955922.db2.gz JVJIIWKWJSMHTL-LLVKDONJSA-N 0 0 196.315 2.796 10 0 AFAERN CCCOCc1cc(Cl)ccc1N 86549491 572955947 /nfs/dbraw/zinc/95/59/47/572955947.db2.gz JUJJCKLLFKEKKG-UHFFFAOYSA-N 0 0 199.681 2.849 10 0 AFAERN CC(=O)CCC[C@@H](O)CCC=C(C)C 238149158 572956016 /nfs/dbraw/zinc/95/60/16/572956016.db2.gz TWRGZDQLMIUDOJ-LBPRGKRZSA-N 0 0 198.306 2.853 10 0 AFAERN CC(C)[C@@H](C[C@H](C)O)c1ccco1 238154733 572956059 /nfs/dbraw/zinc/95/60/59/572956059.db2.gz HFXUZJWNZIGXJR-VHSXEESVSA-N 0 0 182.263 2.790 10 0 AFAERN CC(C)[C@@H](C[C@@H](C)O)c1ccco1 238154177 572956065 /nfs/dbraw/zinc/95/60/65/572956065.db2.gz HFXUZJWNZIGXJR-NXEZZACHSA-N 0 0 182.263 2.790 10 0 AFAERN CC(C)=CC[C@@H](CO)C(C)(C)C 238154150 572956289 /nfs/dbraw/zinc/95/62/89/572956289.db2.gz YWDVWPQPEKHQKB-JTQLQIEISA-N 0 0 170.296 2.997 10 0 AFAERN CC(C)=CC[C@@H](F)/C(C)=C/CO 238154429 572956346 /nfs/dbraw/zinc/95/63/46/572956346.db2.gz JTXZHXGXTAFGKO-OLKPEBQYSA-N 0 0 172.243 2.619 10 0 AFAERN C/C(=C/[C@H](O)CC(C)C)C(C)C 238153252 572956473 /nfs/dbraw/zinc/95/64/73/572956473.db2.gz GZFYOEAYYFCACH-ZJRUKIMVSA-N 0 0 170.296 2.996 10 0 AFAERN C[C@H]1C/C=C/C[C@@H](C)CC(=O)C1 208298899 572956919 /nfs/dbraw/zinc/95/69/19/572956919.db2.gz KAQHDYWDXDFPNC-LDYOUVJNSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)[C@H](C[C@H](C)O)c1ccco1 238157500 572956952 /nfs/dbraw/zinc/95/69/52/572956952.db2.gz HFXUZJWNZIGXJR-UWVGGRQHSA-N 0 0 182.263 2.790 10 0 AFAERN CC(C)Oc1ccc(OCCF)cc1 238155768 572957102 /nfs/dbraw/zinc/95/71/02/572957102.db2.gz QBCJSPOMFSDYAE-UHFFFAOYSA-N 0 0 198.237 2.822 10 0 AFAERN CC[C@@H](O)Cc1ccsc1Cl 687936235 572957242 /nfs/dbraw/zinc/95/72/42/572957242.db2.gz PMCYUXOYROYERG-SSDOTTSWSA-N 0 0 190.695 2.715 10 0 AFAERN CC(C)[C@H](C[C@@H](C)O)c1ccco1 238157102 572957365 /nfs/dbraw/zinc/95/73/65/572957365.db2.gz HFXUZJWNZIGXJR-ZJUUUORDSA-N 0 0 182.263 2.790 10 0 AFAERN CC(C)=CC[C@H](F)/C(C)=C/CO 238157031 572957660 /nfs/dbraw/zinc/95/76/60/572957660.db2.gz JTXZHXGXTAFGKO-ZKXNXJMVSA-N 0 0 172.243 2.619 10 0 AFAERN CC(C)C1C[C@@H](C)O[C@H](C)C1 208298078 572957787 /nfs/dbraw/zinc/95/77/87/572957787.db2.gz VERUVOCJWBKQKX-RKDXNWHRSA-N 0 0 156.269 2.846 10 0 AFAERN C[C@@H]1CC[C@@H]2[C@@H]1[C@H](CO)[C@H]1CC[C@@]12C 208274364 572957838 /nfs/dbraw/zinc/95/78/38/572957838.db2.gz ADQFWEZQMJVKKM-PTEOKISQSA-N 0 0 194.318 2.687 10 0 AFAERN CC[C@H](O)Cc1ccsc1Cl 687936411 572957959 /nfs/dbraw/zinc/95/79/59/572957959.db2.gz PMCYUXOYROYERG-ZETCQYMHSA-N 0 0 190.695 2.715 10 0 AFAERN CC(C)Oc1ccc(OC(C)C)nc1 238155580 572957996 /nfs/dbraw/zinc/95/79/96/572957996.db2.gz OSJLLGJYTKPEQR-UHFFFAOYSA-N 0 0 195.262 2.656 10 0 AFAERN CC(C)=CC[C@H](CO)C(C)(C)C 238156839 572958038 /nfs/dbraw/zinc/95/80/38/572958038.db2.gz YWDVWPQPEKHQKB-SNVBAGLBSA-N 0 0 170.296 2.997 10 0 AFAERN CO[C@@H](C)C(=O)CC1CCCCC1 86574831 572958172 /nfs/dbraw/zinc/95/81/72/572958172.db2.gz QBLOPKZCOQXKKX-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN C[C@H]1C/C=C/C[C@H](C)CC(=O)C1 208298971 572958196 /nfs/dbraw/zinc/95/81/96/572958196.db2.gz KAQHDYWDXDFPNC-OHINUGQQSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@@H]1CCC[C@@H](C(=O)[C@@H](C)OC)C1 86574604 572958308 /nfs/dbraw/zinc/95/83/08/572958308.db2.gz XMDQSODHIMEOMB-GMTAPVOTSA-N 0 0 198.306 2.807 10 0 AFAERN C=C=C(C)[C@@H](O)c1cc2ccccc2[nH]1 238163230 572958386 /nfs/dbraw/zinc/95/83/86/572958386.db2.gz NEDNPFROJFCDHQ-CYBMUJFWSA-N 0 0 199.253 2.933 10 0 AFAERN CC(C)Oc1cncc(OC(C)C)c1 238163745 572958478 /nfs/dbraw/zinc/95/84/78/572958478.db2.gz PFKWGRLXRAMVOT-UHFFFAOYSA-N 0 0 195.262 2.656 10 0 AFAERN CC(=C=CCCCO)C(C)(C)C 238164245 572958628 /nfs/dbraw/zinc/95/86/28/572958628.db2.gz KUORSFVGEXBORU-UHFFFAOYSA-N 0 0 168.280 2.906 10 0 AFAERN CC(C)Oc1cocc1OC(C)C 238164142 572958646 /nfs/dbraw/zinc/95/86/46/572958646.db2.gz FZCULQQNOGXMPX-UHFFFAOYSA-N 0 0 184.235 2.854 10 0 AFAERN CO[C@H](C)C(=O)CC1CCCCC1 86574832 572958721 /nfs/dbraw/zinc/95/87/21/572958721.db2.gz QBLOPKZCOQXKKX-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CCC1CCC(C(=O)[C@H](C)OC)CC1 86574722 572958837 /nfs/dbraw/zinc/95/88/37/572958837.db2.gz NPEQQQMLLVVAOB-WHXUTIOJSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C)OC 86574749 572958838 /nfs/dbraw/zinc/95/88/38/572958838.db2.gz BMVZBHREDKKLPY-GMTAPVOTSA-N 0 0 198.306 2.807 10 0 AFAERN C=C/C=C/[C@@H](CCO)C(C)(C)C 238168219 572958993 /nfs/dbraw/zinc/95/89/93/572958993.db2.gz DDLIYHAZFVYHLP-FGEFZZPRSA-N 0 0 168.280 2.773 10 0 AFAERN CCCCCCC(=O)[C@H](C)OC 86574563 572959114 /nfs/dbraw/zinc/95/91/14/572959114.db2.gz QEJRLIQBWDKNIY-VIFPVBQESA-N 0 0 172.268 2.561 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C)OC 86574747 572959121 /nfs/dbraw/zinc/95/91/21/572959121.db2.gz BMVZBHREDKKLPY-MXWKQRLJSA-N 0 0 198.306 2.807 10 0 AFAERN Nc1occc1C(=O)C1CCCCC1 76191461 572959136 /nfs/dbraw/zinc/95/91/36/572959136.db2.gz HJRBFEFIOUFUAT-UHFFFAOYSA-N 0 0 193.246 2.625 10 0 AFAERN CCC1CCC(C(=O)[C@@H](C)OC)CC1 86574721 572959171 /nfs/dbraw/zinc/95/91/71/572959171.db2.gz NPEQQQMLLVVAOB-KPPDAEKUSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H]1CCC[C@H](C(=O)[C@@H](C)OC)C1 86574602 572959311 /nfs/dbraw/zinc/95/93/11/572959311.db2.gz XMDQSODHIMEOMB-MXWKQRLJSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)c1n[nH]c2ccc(F)cc12 76190156 572959312 /nfs/dbraw/zinc/95/93/12/572959312.db2.gz SRMOUWUOKBUPRL-UHFFFAOYSA-N 0 0 178.210 2.825 10 0 AFAERN CCCCCCC(=O)[C@@H](C)OC 86574562 572959320 /nfs/dbraw/zinc/95/93/20/572959320.db2.gz QEJRLIQBWDKNIY-SECBINFHSA-N 0 0 172.268 2.561 10 0 AFAERN CC(C)=C[C@H](CO)Cc1ccccc1 238168668 572959505 /nfs/dbraw/zinc/95/95/05/572959505.db2.gz IDMQMNDRFWXQKS-ZDUSSCGKSA-N 0 0 190.286 2.804 10 0 AFAERN CC(C)C/C(=C/CO)[Si](C)(C)C 238168092 572959517 /nfs/dbraw/zinc/95/95/17/572959517.db2.gz NMAQYZOXVDAQOA-POHAHGRESA-N 0 0 186.371 2.829 10 0 AFAERN CC(C)CCOCc1ccccc1O 238166088 572959538 /nfs/dbraw/zinc/95/95/38/572959538.db2.gz WPYNNOQSFUXULI-UHFFFAOYSA-N 0 0 194.274 2.955 10 0 AFAERN CCC[C@H](C)CC[C@H](C)O 51323656 572959583 /nfs/dbraw/zinc/95/95/83/572959583.db2.gz IWFICVXFFNDWOJ-IUCAKERBSA-N 0 0 144.258 2.584 10 0 AFAERN CC(C)(C)[C@H](CCO)c1ccoc1 238168273 572959603 /nfs/dbraw/zinc/95/96/03/572959603.db2.gz UELXLQNEGJJJBZ-SNVBAGLBSA-N 0 0 182.263 2.792 10 0 AFAERN CC(C)c1nn(C)c2ccccc12 76190066 572959743 /nfs/dbraw/zinc/95/97/43/572959743.db2.gz MESPDADZCZXVNL-UHFFFAOYSA-N 0 0 174.247 2.697 10 0 AFAERN c1cc(-c2ccncc2)c2n[nH]cc2c1 76188789 572959847 /nfs/dbraw/zinc/95/98/47/572959847.db2.gz YYPFENFOWSXFJB-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN c1cncc(-c2cccc3c[nH]nc23)c1 76188812 572960128 /nfs/dbraw/zinc/96/01/28/572960128.db2.gz ZBKCLOOMCLDNIY-UHFFFAOYSA-N 0 0 195.225 2.625 10 0 AFAERN CCC[C@H](C)CC[C@@H](C)O 51323652 572960298 /nfs/dbraw/zinc/96/02/98/572960298.db2.gz IWFICVXFFNDWOJ-DTWKUNHWSA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@@H](C)CC[C@@H](C)O 51323651 572960420 /nfs/dbraw/zinc/96/04/20/572960420.db2.gz IWFICVXFFNDWOJ-RKDXNWHRSA-N 0 0 144.258 2.584 10 0 AFAERN CC(=O)c1c2c(c3ccccn13)CCC2 82320148 572960843 /nfs/dbraw/zinc/96/08/43/572960843.db2.gz ZODXLNHUVJRHKZ-UHFFFAOYSA-N 0 0 199.253 2.631 10 0 AFAERN CNc1cccc2ncn(C(C)C)c12 76208749 572961369 /nfs/dbraw/zinc/96/13/69/572961369.db2.gz CCYJTYXRGBUTMA-UHFFFAOYSA-N 0 0 189.262 2.659 10 0 AFAERN CNc1ccc2ncn(C(C)C)c2c1 76208746 572961389 /nfs/dbraw/zinc/96/13/89/572961389.db2.gz ILTNICLKCGFOJV-UHFFFAOYSA-N 0 0 189.262 2.659 10 0 AFAERN Cc1cccc2c1ncn2C(C)C 76208729 572961689 /nfs/dbraw/zinc/96/16/89/572961689.db2.gz QPMKQRDJIQHNNM-UHFFFAOYSA-N 0 0 174.247 2.926 10 0 AFAERN CCC(CC)C(=O)[C@@H]1CCCC(=O)C1 86603943 572961759 /nfs/dbraw/zinc/96/17/59/572961759.db2.gz LNGSTBDTXICBGS-SNVBAGLBSA-N 0 0 196.290 2.751 10 0 AFAERN C[C@H]1Cc2c(ccc3c2CCCC3)N1 713798594 572961852 /nfs/dbraw/zinc/96/18/52/572961852.db2.gz UPNMUSRZNZGYKE-VIFPVBQESA-N 0 0 187.286 2.922 10 0 AFAERN CC(C)n1cnc2cccc(F)c21 76208570 572961860 /nfs/dbraw/zinc/96/18/60/572961860.db2.gz NCVUKZHFNXJJBS-UHFFFAOYSA-N 0 0 178.210 2.756 10 0 AFAERN CC(C)c1ccccc1SCCO 238170045 572961878 /nfs/dbraw/zinc/96/18/78/572961878.db2.gz DYFDCHDLZHDRNM-UHFFFAOYSA-N 0 0 196.315 2.894 10 0 AFAERN CC(C)n1cnc2c(F)cc(F)cc21 76208616 572961949 /nfs/dbraw/zinc/96/19/49/572961949.db2.gz UAUYNXWKJWXFAH-UHFFFAOYSA-N 0 0 196.200 2.895 10 0 AFAERN O=Cc1cc(CC2CC2)cs1 82320093 572962052 /nfs/dbraw/zinc/96/20/52/572962052.db2.gz GCTNQCUNQJFLDD-UHFFFAOYSA-N 0 0 166.245 2.513 10 0 AFAERN CC(C)OCCCC(=O)[C@]1(C)C[C@@H]1C 689517079 572962072 /nfs/dbraw/zinc/96/20/72/572962072.db2.gz HIJVOMVYNZMSIS-CMPLNLGQSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)c1nc2ccc(F)cc2n1C 76211541 572962349 /nfs/dbraw/zinc/96/23/49/572962349.db2.gz GGCYOMKFJFTAKH-UHFFFAOYSA-N 0 0 192.237 2.836 10 0 AFAERN CC1(CCCCCCCO)N=N1 238171283 572962472 /nfs/dbraw/zinc/96/24/72/572962472.db2.gz VHHKXTDSPXPSHE-UHFFFAOYSA-N 0 0 170.256 2.501 10 0 AFAERN COc1cccc2ncn(C(C)C)c12 76208598 572962540 /nfs/dbraw/zinc/96/25/40/572962540.db2.gz WWHHBOKDUJZSJZ-UHFFFAOYSA-N 0 0 190.246 2.626 10 0 AFAERN CCCCCO[C@H]1CCCC(=O)C1 86603639 572962583 /nfs/dbraw/zinc/96/25/83/572962583.db2.gz UFGIAUQZWUFOJN-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN Cc1nc2cc(O)ccc2n1C(C)C 76210171 572962638 /nfs/dbraw/zinc/96/26/38/572962638.db2.gz UJZTUZCHKGWMSJ-UHFFFAOYSA-N 0 0 190.246 2.631 10 0 AFAERN CC(C)n1cnc2cc(F)cc(F)c21 76208614 572962817 /nfs/dbraw/zinc/96/28/17/572962817.db2.gz KQDKLKUHKDEZAW-UHFFFAOYSA-N 0 0 196.200 2.895 10 0 AFAERN CCc1oc2c(OC)cccc2c1N 82320183 572962822 /nfs/dbraw/zinc/96/28/22/572962822.db2.gz NHPCCUUYEBRUEM-UHFFFAOYSA-N 0 0 191.230 2.586 10 0 AFAERN CC(C)(C)CCO[C@H]1CCCC(=O)C1 86603879 572962874 /nfs/dbraw/zinc/96/28/74/572962874.db2.gz VKTIAHUVCNNHBV-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN C[C@@H]1Cc2c(ccc3c2CCCC3)N1 713798587 572962880 /nfs/dbraw/zinc/96/28/80/572962880.db2.gz UPNMUSRZNZGYKE-SECBINFHSA-N 0 0 187.286 2.922 10 0 AFAERN CC(C)OCCCC(=O)[C@]1(C)C[C@H]1C 689517084 572962897 /nfs/dbraw/zinc/96/28/97/572962897.db2.gz HIJVOMVYNZMSIS-ZYHUDNBSSA-N 0 0 198.306 2.807 10 0 AFAERN CNc1cccc2[nH]c(C(C)C)nc12 76211326 572962934 /nfs/dbraw/zinc/96/29/34/572962934.db2.gz IEZLGJZWAGOXIA-UHFFFAOYSA-N 0 0 189.262 2.728 10 0 AFAERN O=Cc1sccc1CC1CC1 82320094 572962940 /nfs/dbraw/zinc/96/29/40/572962940.db2.gz TUGCIXPAANZRNR-UHFFFAOYSA-N 0 0 166.245 2.513 10 0 AFAERN CC(C)c1nc2c(F)ccc(F)c2[nH]1 76211239 572962993 /nfs/dbraw/zinc/96/29/93/572962993.db2.gz JBYRHNNXIOPTMU-UHFFFAOYSA-N 0 0 196.200 2.965 10 0 AFAERN Cc1ccc2ncn(C(C)C)c2c1 76208564 572963027 /nfs/dbraw/zinc/96/30/27/572963027.db2.gz OMUJEHINQXZSTJ-UHFFFAOYSA-N 0 0 174.247 2.926 10 0 AFAERN C=Cc1ccnc(C2(C)CC2)c1 208398131 572963052 /nfs/dbraw/zinc/96/30/52/572963052.db2.gz QBTDLUSMROZTPI-UHFFFAOYSA-N 0 0 159.232 2.776 10 0 AFAERN CC(C)CCCO[C@@H]1CCCC(=O)C1 86603596 572963057 /nfs/dbraw/zinc/96/30/57/572963057.db2.gz GSTOJWVCLCWXMI-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)c1nc2cccc(F)c2n1C 76211539 572963099 /nfs/dbraw/zinc/96/30/99/572963099.db2.gz ORWMHCHZBSZOPA-UHFFFAOYSA-N 0 0 192.237 2.836 10 0 AFAERN CC(C)c1nc2cc(F)ccc2n1C 76211544 572963138 /nfs/dbraw/zinc/96/31/38/572963138.db2.gz GJJOCTOSPHXXMD-UHFFFAOYSA-N 0 0 192.237 2.836 10 0 AFAERN CC(C)CCCO[C@H]1CCCC(=O)C1 86603597 572963165 /nfs/dbraw/zinc/96/31/65/572963165.db2.gz GSTOJWVCLCWXMI-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1nc2c(O)cccc2n1C(C)C 76210368 572963190 /nfs/dbraw/zinc/96/31/90/572963190.db2.gz UPCVQPUIQKFWNO-UHFFFAOYSA-N 0 0 190.246 2.631 10 0 AFAERN COc1cccc2c1ncn2C(C)C 76208601 572963297 /nfs/dbraw/zinc/96/32/97/572963297.db2.gz CEOLMVXDRCDBOL-UHFFFAOYSA-N 0 0 190.246 2.626 10 0 AFAERN CCCCCO[C@@H]1CCCC(=O)C1 86603638 572963308 /nfs/dbraw/zinc/96/33/08/572963308.db2.gz UFGIAUQZWUFOJN-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN C[Si](C)(C)CC1=C(CO)CCC1 196739469 572963316 /nfs/dbraw/zinc/96/33/16/572963316.db2.gz OQQPDNFETCYHHK-UHFFFAOYSA-N 0 0 184.355 2.797 10 0 AFAERN CC(C)n1cnc2c(F)ccc(F)c21 76208611 572963324 /nfs/dbraw/zinc/96/33/24/572963324.db2.gz CYAOIANQXJRGMO-UHFFFAOYSA-N 0 0 196.200 2.895 10 0 AFAERN CC(C)(C)CCO[C@@H]1CCCC(=O)C1 86603878 572963366 /nfs/dbraw/zinc/96/33/66/572963366.db2.gz VKTIAHUVCNNHBV-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)c1nc2c(F)cccc2n1C 76211764 572963402 /nfs/dbraw/zinc/96/34/02/572963402.db2.gz JQDNSYVQENLXAM-UHFFFAOYSA-N 0 0 192.237 2.836 10 0 AFAERN CC(C)OCCCC(=O)[C@@]1(C)C[C@@H]1C 689517081 572963485 /nfs/dbraw/zinc/96/34/85/572963485.db2.gz HIJVOMVYNZMSIS-JQWIXIFHSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)OCCCC(=O)[C@@]1(C)C[C@H]1C 689517082 572963589 /nfs/dbraw/zinc/96/35/89/572963589.db2.gz HIJVOMVYNZMSIS-PWSUYJOCSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(CC)C(=O)[C@H]1CCCC(=O)C1 86603944 572963622 /nfs/dbraw/zinc/96/36/22/572963622.db2.gz LNGSTBDTXICBGS-JTQLQIEISA-N 0 0 196.290 2.751 10 0 AFAERN OC1(c2cccc3ncccc23)CCC1 88100789 572963662 /nfs/dbraw/zinc/96/36/62/572963662.db2.gz VMVVMBUSVVLJQP-UHFFFAOYSA-N 0 0 199.253 2.606 10 0 AFAERN OC1(c2ccc3cccnc3c2)CCC1 88100785 572964332 /nfs/dbraw/zinc/96/43/32/572964332.db2.gz DTRFITKGSMPKBG-UHFFFAOYSA-N 0 0 199.253 2.606 10 0 AFAERN O[C@@H](c1cccc2ncccc12)C1CC1 88100641 572964368 /nfs/dbraw/zinc/96/43/68/572964368.db2.gz PLKNQHAXGOAYQN-CYBMUJFWSA-N 0 0 199.253 2.678 10 0 AFAERN O[C@H](c1cccc2ncccc12)C1CC1 88100643 572964526 /nfs/dbraw/zinc/96/45/26/572964526.db2.gz PLKNQHAXGOAYQN-ZDUSSCGKSA-N 0 0 199.253 2.678 10 0 AFAERN OC1(c2cccc3cccnc23)CCC1 88100783 572964596 /nfs/dbraw/zinc/96/45/96/572964596.db2.gz FMESHENDSCLMTB-UHFFFAOYSA-N 0 0 199.253 2.606 10 0 AFAERN O[C@@H](c1ccc2cccnc2c1)C1CC1 88100632 572964614 /nfs/dbraw/zinc/96/46/14/572964614.db2.gz VFMFVRNFCJOMLL-CYBMUJFWSA-N 0 0 199.253 2.678 10 0 AFAERN CCCCCCOCC(C)(C)CO 88100043 572964633 /nfs/dbraw/zinc/96/46/33/572964633.db2.gz GILVXTPCWGKLGD-UHFFFAOYSA-N 0 0 188.311 2.602 10 0 AFAERN O[C@H](c1ccc2cccnc2c1)C1CC1 88100634 572964785 /nfs/dbraw/zinc/96/47/85/572964785.db2.gz VFMFVRNFCJOMLL-ZDUSSCGKSA-N 0 0 199.253 2.678 10 0 AFAERN O=Cc1ccc(/C=C\C2CC2)s1 116842285 572965709 /nfs/dbraw/zinc/96/57/09/572965709.db2.gz WFXMGLZPBHRFRQ-ARJAWSKDSA-N 0 0 178.256 2.984 10 0 AFAERN OC1(c2ccc3ncccc3c2)CCC1 88100792 572965176 /nfs/dbraw/zinc/96/51/76/572965176.db2.gz VQDFUXYCLCUMMQ-UHFFFAOYSA-N 0 0 199.253 2.606 10 0 AFAERN CC1=NCc2ccc3ccccc3c2N1 238175585 572965550 /nfs/dbraw/zinc/96/55/50/572965550.db2.gz FJEGUMYIELCHNM-UHFFFAOYSA-N 0 0 196.253 2.993 10 0 AFAERN CC(C)CCCO[C@H]1CCC(=O)C1 86619476 572966297 /nfs/dbraw/zinc/96/62/97/572966297.db2.gz BMCPCNQVILFTHO-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCCO[C@@H]1CCC(=O)C1 86619479 572966414 /nfs/dbraw/zinc/96/64/14/572966414.db2.gz DOZVQEGVOQOADG-LLVKDONJSA-N 0 0 184.279 2.705 10 0 AFAERN CC(C)(C)CCO[C@H]1CCC(=O)C1 86620005 572966615 /nfs/dbraw/zinc/96/66/15/572966615.db2.gz WVMOTQVDUNMXBT-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccc([C@H](O)CCC(C)C)nc1 88135952 572968002 /nfs/dbraw/zinc/96/80/02/572968002.db2.gz ZAENZMBREJBVEN-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CC1(C)C=CCCCCC1=O 238172492 572967146 /nfs/dbraw/zinc/96/71/46/572967146.db2.gz ZXEWMWMXIOOXBP-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN CCCCN(c1ccccc1)[C@H](C)O 116831941 572967794 /nfs/dbraw/zinc/96/77/94/572967794.db2.gz QRQAAWMJDLSHJF-NSHDSACASA-N 0 0 193.290 2.631 10 0 AFAERN CC(C)(C)CCO[C@@H]1CCC(=O)C1 86620004 572967367 /nfs/dbraw/zinc/96/73/67/572967367.db2.gz WVMOTQVDUNMXBT-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCCCO[C@H]1CCC(=O)C1 86619480 572967436 /nfs/dbraw/zinc/96/74/36/572967436.db2.gz DOZVQEGVOQOADG-NSHDSACASA-N 0 0 184.279 2.705 10 0 AFAERN CC[C@H](C)C[C@H](O)c1ccc(C)cn1 88136121 572967521 /nfs/dbraw/zinc/96/75/21/572967521.db2.gz WEBFFWPTMVRSQJ-CABZTGNLSA-N 0 0 193.290 2.860 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@H]1[C@@H](C)O 88133760 572969311 /nfs/dbraw/zinc/96/93/11/572969311.db2.gz XDSKUAKPHPHFAE-IVZWLZJFSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1cc(-c2ccncc2)ccc1N 88125624 572968312 /nfs/dbraw/zinc/96/83/12/572968312.db2.gz QQNJVLPWFHUKIK-UHFFFAOYSA-N 0 0 198.269 2.893 10 0 AFAERN C=C/C=C\CC[C@H](O)COC(C)(C)C 713654862 572968301 /nfs/dbraw/zinc/96/83/01/572968301.db2.gz VHBGKBQFUSJGFX-ZADCQDASSA-N 0 0 198.306 2.685 10 0 AFAERN Cc1ncc([C@H](O)[C@H](C)C2CC2)s1 687937047 572968320 /nfs/dbraw/zinc/96/83/20/572968320.db2.gz JQGJQQUBPIUFKS-LHLIQPBNSA-N 0 0 197.303 2.531 10 0 AFAERN CCCC[C@@H](O)c1ccc(C)cn1 88136186 572968756 /nfs/dbraw/zinc/96/87/56/572968756.db2.gz SEBBVOMFVVOYOF-LLVKDONJSA-N 0 0 179.263 2.614 10 0 AFAERN CC1=CC[C@](C)([C@@H](C)O)[C@H](C)C1 59234922 572968645 /nfs/dbraw/zinc/96/86/45/572968645.db2.gz JVZQDXRVAJAHRM-MXWKQRLJSA-N 0 0 168.280 2.750 10 0 AFAERN Cc1ccc([C@@H](O)CCC(C)C)nc1 88135953 572968672 /nfs/dbraw/zinc/96/86/72/572968672.db2.gz ZAENZMBREJBVEN-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN C/C=C/CNc1ccc(F)cc1OC 234957021 572968684 /nfs/dbraw/zinc/96/86/84/572968684.db2.gz GAQOOBJFQJUHPK-ONEGZZNKSA-N 0 0 195.237 2.822 10 0 AFAERN CCCC[C@H](O)c1ccc(C)cn1 88136184 572968696 /nfs/dbraw/zinc/96/86/96/572968696.db2.gz SEBBVOMFVVOYOF-NSHDSACASA-N 0 0 179.263 2.614 10 0 AFAERN Cc1ncc([C@H](O)[C@@H](C)C2CC2)s1 687937049 572968906 /nfs/dbraw/zinc/96/89/06/572968906.db2.gz JQGJQQUBPIUFKS-QUBYGPBYSA-N 0 0 197.303 2.531 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1ccc(C)cn1 88136124 572968928 /nfs/dbraw/zinc/96/89/28/572968928.db2.gz WEBFFWPTMVRSQJ-JOYOIKCWSA-N 0 0 193.290 2.860 10 0 AFAERN CC[C@](C)([NH3+])c1ccc(O)cc1Cl 59375691 572969123 /nfs/dbraw/zinc/96/91/23/572969123.db2.gz AWKZHBNDBKPFRT-JTQLQIEISA-N 0 0 199.681 2.630 10 0 AFAERN CC(C)(C)Cc1cccc(N)c1 116864475 572969358 /nfs/dbraw/zinc/96/93/58/572969358.db2.gz YZOIKBBAWNRGOE-UHFFFAOYSA-N 0 0 163.264 2.857 10 0 AFAERN CC(C)[NH2+]C[C@H](F)c1ccccc1 238182100 572969496 /nfs/dbraw/zinc/96/94/96/572969496.db2.gz QIOROIFYDXLSHZ-NSHDSACASA-N 0 0 181.254 2.695 10 0 AFAERN CCCN(C(C)=O)c1cccc(C)c1 59342183 572969574 /nfs/dbraw/zinc/96/95/74/572969574.db2.gz FFBZALXBLNPKNY-UHFFFAOYSA-N 0 0 191.274 2.758 10 0 AFAERN C/C=C(/Br)CC 195775916 572969672 /nfs/dbraw/zinc/96/96/72/572969672.db2.gz OPGVCEGMOFKBOL-HWKANZROSA-N 0 0 149.031 2.695 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@@H]1[C@@H](C)O 88133755 572969898 /nfs/dbraw/zinc/96/98/98/572969898.db2.gz XDSKUAKPHPHFAE-AEJSXWLSSA-N 0 0 170.296 2.830 10 0 AFAERN C[Si](C)(C)CCc1ccccn1 195775812 572970004 /nfs/dbraw/zinc/97/00/04/572970004.db2.gz PXGMETPBTCHFNO-UHFFFAOYSA-N 0 0 179.339 2.962 10 0 AFAERN CC(=O)[C@H]1[C@@H]2C=CCCCC[C@@H]21 238178480 572970163 /nfs/dbraw/zinc/97/01/63/572970163.db2.gz PAJMYMXWGZLMGS-VWYCJHECSA-N 0 0 164.248 2.568 10 0 AFAERN COC(=O)[C@H]1CCC(C)=CC1(C)C 59383637 572970475 /nfs/dbraw/zinc/97/04/75/572970475.db2.gz JGRFIJUXTWQXMW-SECBINFHSA-N 0 0 182.263 2.542 10 0 AFAERN CC[C@@H](O)CCc1cc(C)cc(F)c1 86694171 572970721 /nfs/dbraw/zinc/97/07/21/572970721.db2.gz OEEUYDUVGDNRCP-GFCCVEGCSA-N 0 0 196.265 2.838 10 0 AFAERN CC(C)(C)C[C@H]1CCCC[C@@H]1O 199895625 572970916 /nfs/dbraw/zinc/97/09/16/572970916.db2.gz PJAFKOOQCKZEPT-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(CC)OCC[C@@H](C)CCO 238181310 572971056 /nfs/dbraw/zinc/97/10/56/572971056.db2.gz ODKWVUWDXOIICU-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN CCCCn1c(CC)c[nH]c1=S 88145798 572971230 /nfs/dbraw/zinc/97/12/30/572971230.db2.gz GDIAOIRQAOSALE-UHFFFAOYSA-N 0 0 184.308 2.908 10 0 AFAERN CCC(CC)OCC[C@H](C)CCO 238181362 572971329 /nfs/dbraw/zinc/97/13/29/572971329.db2.gz ODKWVUWDXOIICU-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CC(C)SC(CO)SC(C)C 238184006 572971332 /nfs/dbraw/zinc/97/13/32/572971332.db2.gz XPITYMAWIJNOAS-UHFFFAOYSA-N 0 0 194.365 2.588 10 0 AFAERN CCc1c[nH]c(=S)n1CCC1CC1 88154005 572971734 /nfs/dbraw/zinc/97/17/34/572971734.db2.gz SXAWIWVWSBFYLH-UHFFFAOYSA-N 0 0 196.319 2.908 10 0 AFAERN CC[C@H](O)CCc1cc(C)cc(F)c1 86694169 572972037 /nfs/dbraw/zinc/97/20/37/572972037.db2.gz OEEUYDUVGDNRCP-LBPRGKRZSA-N 0 0 196.265 2.838 10 0 AFAERN Cc1cc(C)cc([C@H]2C[C@H](O)[C@@H]2C)c1 88178769 572972625 /nfs/dbraw/zinc/97/26/25/572972625.db2.gz XUWUFKDJDHDLHN-WXHSDQCUSA-N 0 0 190.286 2.788 10 0 AFAERN Cc1ccc([C@H]2C[C@@H](O)[C@@H]2C)cc1F 88178659 572972209 /nfs/dbraw/zinc/97/22/09/572972209.db2.gz BTKTXYJCLIQYTE-UBHAPETDSA-N 0 0 194.249 2.618 10 0 AFAERN Cc1cccc([C@H]2C[C@@H](O)[C@@H]2C)c1C 88178907 572972236 /nfs/dbraw/zinc/97/22/36/572972236.db2.gz OMNYXPXEQKHLPY-KGYLQXTDSA-N 0 0 190.286 2.788 10 0 AFAERN CC[C@](C)(CO)CNc1ccsc1 88176881 572972262 /nfs/dbraw/zinc/97/22/62/572972262.db2.gz JQPDMWYPAREOQR-JTQLQIEISA-N 0 0 199.319 2.569 10 0 AFAERN Cc1cc(C)cc([C@H]2C[C@@H](O)[C@@H]2C)c1 88178771 572972264 /nfs/dbraw/zinc/97/22/64/572972264.db2.gz XUWUFKDJDHDLHN-KGYLQXTDSA-N 0 0 190.286 2.788 10 0 AFAERN CCCC(F)(F)[P@H](=O)OCC 238186236 572972265 /nfs/dbraw/zinc/97/22/65/572972265.db2.gz NUVRORTWALQCHC-UHFFFAOYSA-N 0 0 186.138 2.891 10 0 AFAERN Cc1cc(F)ccc1[C@H]1C[C@H](O)[C@@H]1C 88178845 572972281 /nfs/dbraw/zinc/97/22/81/572972281.db2.gz LDXXPZUDXBGNNX-ZHAHWJHGSA-N 0 0 194.249 2.618 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1ccccc1F 88178338 572972348 /nfs/dbraw/zinc/97/23/48/572972348.db2.gz ZYHPUSGLIJQUMT-QRTLGDNMSA-N 0 0 194.249 2.700 10 0 AFAERN CCc1ccc([C@H]2C[C@H](O)[C@@H]2C)cc1 88178685 572972358 /nfs/dbraw/zinc/97/23/58/572972358.db2.gz JPILWSGLCQSZDK-ICCXJUOJSA-N 0 0 190.286 2.733 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1ccc(F)cc1 88178458 572972363 /nfs/dbraw/zinc/97/23/63/572972363.db2.gz LNBINUWMFQVFAE-UTUOFQBUSA-N 0 0 194.249 2.700 10 0 AFAERN CCc1ccc([C@H]2C[C@H](O)[C@@H]2C)s1 88178829 572972381 /nfs/dbraw/zinc/97/23/81/572972381.db2.gz BPABAWOOAHXOEQ-JEZHCXPESA-N 0 0 196.315 2.795 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1ccc(C)cc1 88178238 572972389 /nfs/dbraw/zinc/97/23/89/572972389.db2.gz TZSSUHQYXYVQGB-UPJWGTAASA-N 0 0 190.286 2.869 10 0 AFAERN Cc1ccc([C@H]2C[C@H](O)[C@@H]2C)c(C)c1 88178553 572972450 /nfs/dbraw/zinc/97/24/50/572972450.db2.gz ZIENPXSOYRURJV-WXHSDQCUSA-N 0 0 190.286 2.788 10 0 AFAERN Cc1cc([C@H]2C[C@@H](O)[C@@H]2C)ccc1F 88178655 572972552 /nfs/dbraw/zinc/97/25/52/572972552.db2.gz RRRXQGYZSLAUOX-UBHAPETDSA-N 0 0 194.249 2.618 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1cccs1 88178414 572972637 /nfs/dbraw/zinc/97/26/37/572972637.db2.gz BLTFFPSFNAPOHO-VGMNWLOBSA-N 0 0 182.288 2.623 10 0 AFAERN Cc1ccc([C@H]2C[C@@H](O)[C@@H]2C)s1 88178691 572972657 /nfs/dbraw/zinc/97/26/57/572972657.db2.gz STOBPSVPSMDQQV-HRDYMLBCSA-N 0 0 182.288 2.541 10 0 AFAERN CC[C@@](C)(CO)CNc1ccccc1 88175239 572972676 /nfs/dbraw/zinc/97/26/76/572972676.db2.gz DHBDTFHFVRZIKW-GFCCVEGCSA-N 0 0 193.290 2.507 10 0 AFAERN Cc1ccc([C@H]2C[C@H](O)[C@@H]2C)cc1F 88178657 572972686 /nfs/dbraw/zinc/97/26/86/572972686.db2.gz BTKTXYJCLIQYTE-QRTLGDNMSA-N 0 0 194.249 2.618 10 0 AFAERN Cc1ccc([C@H]2C[C@H](O)[C@@H]2C)s1 88178689 572972815 /nfs/dbraw/zinc/97/28/15/572972815.db2.gz STOBPSVPSMDQQV-VGMNWLOBSA-N 0 0 182.288 2.541 10 0 AFAERN Cc1ccsc1[C@H]1C[C@@H](O)[C@@H]1C 88178651 572972857 /nfs/dbraw/zinc/97/28/57/572972857.db2.gz XKZJNDSJIRZXJG-HRDYMLBCSA-N 0 0 182.288 2.541 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1ccsc1 88178342 572972904 /nfs/dbraw/zinc/97/29/04/572972904.db2.gz PWMMLXAADWMZFO-BBBLOLIVSA-N 0 0 182.288 2.623 10 0 AFAERN Cc1ccc(C)c([C@H]2C[C@H](O)[C@@H]2C)c1 88178881 572972944 /nfs/dbraw/zinc/97/29/44/572972944.db2.gz AIPOFHVSYPATFE-WXHSDQCUSA-N 0 0 190.286 2.788 10 0 AFAERN C=C/C=C/CC[C@](C)(O)[C@@H]1C[C@@H]1C 713665901 572974323 /nfs/dbraw/zinc/97/43/23/572974323.db2.gz NIOUWOHFTCLIHK-ULUCOWRSSA-N 0 0 180.291 2.916 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1cccc(F)c1 88178542 572973086 /nfs/dbraw/zinc/97/30/86/572973086.db2.gz SXOOWIPCBSALHZ-UTUOFQBUSA-N 0 0 194.249 2.700 10 0 AFAERN Cc1ccsc1[C@H]1C[C@H](O)[C@@H]1C 88178649 572973096 /nfs/dbraw/zinc/97/30/96/572973096.db2.gz XKZJNDSJIRZXJG-VGMNWLOBSA-N 0 0 182.288 2.541 10 0 AFAERN Cc1cc(F)ccc1[C@H]1C[C@@H](O)[C@@H]1C 88178847 572973117 /nfs/dbraw/zinc/97/31/17/572973117.db2.gz LDXXPZUDXBGNNX-JFUSQASVSA-N 0 0 194.249 2.618 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1ccccc1 88178454 572973157 /nfs/dbraw/zinc/97/31/57/572973157.db2.gz HKSVSDZGUIPPPK-UTUOFQBUSA-N 0 0 176.259 2.561 10 0 AFAERN CCCC1(CCC)C[C@@H]1CO 88158661 572974333 /nfs/dbraw/zinc/97/43/33/572974333.db2.gz YMHSDAISCRQMTF-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@@](C)(CO)CNc1ccsc1 88176882 572973278 /nfs/dbraw/zinc/97/32/78/572973278.db2.gz JQPDMWYPAREOQR-SNVBAGLBSA-N 0 0 199.319 2.569 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1sccc1C 88178286 572973348 /nfs/dbraw/zinc/97/33/48/572973348.db2.gz WIILHOPKWPHPCI-UTLUCORTSA-N 0 0 196.315 2.931 10 0 AFAERN C[C@H]1[C@@H](O)C[C@@H]1c1cccc(Cl)c1 88178874 572973467 /nfs/dbraw/zinc/97/34/67/572973467.db2.gz PHCMJJUWUJWAOJ-GGVZMXCHSA-N 0 0 196.677 2.824 10 0 AFAERN Cc1cc([C@H]2C[C@H](O)[C@@H]2C)ccc1F 88178653 572973472 /nfs/dbraw/zinc/97/34/72/572973472.db2.gz RRRXQGYZSLAUOX-QRTLGDNMSA-N 0 0 194.249 2.618 10 0 AFAERN CCc1ccc([C@H]2C[C@@H](O)[C@@H]2C)s1 88178831 572973480 /nfs/dbraw/zinc/97/34/80/572973480.db2.gz BPABAWOOAHXOEQ-FKTZTGRPSA-N 0 0 196.315 2.795 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1ccccc1C 88178310 572973511 /nfs/dbraw/zinc/97/35/11/572973511.db2.gz WTVHZMSHFCZUBH-WXHSDQCUSA-N 0 0 190.286 2.869 10 0 AFAERN CCCC(F)(F)CC[C@H](C)O 238186154 572973513 /nfs/dbraw/zinc/97/35/13/572973513.db2.gz SAIRLKZQZZAMEX-ZETCQYMHSA-N 0 0 166.211 2.583 10 0 AFAERN C[C@H]1[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 88178622 572973567 /nfs/dbraw/zinc/97/35/67/572973567.db2.gz VSYFGMFFJMBNRO-GGVZMXCHSA-N 0 0 196.677 2.824 10 0 AFAERN CCc1ccc([C@H]2C[C@@H](O)[C@@H]2C)cc1 88178687 572973605 /nfs/dbraw/zinc/97/36/05/572973605.db2.gz JPILWSGLCQSZDK-JIMOISOXSA-N 0 0 190.286 2.733 10 0 AFAERN Cc1cccc([C@H]2C[C@H](O)[C@@H]2C)c1C 88178905 572973608 /nfs/dbraw/zinc/97/36/08/572973608.db2.gz OMNYXPXEQKHLPY-WXHSDQCUSA-N 0 0 190.286 2.788 10 0 AFAERN CC[C@H]1[C@@H](O)C[C@@H]1c1cccc(C)c1 88178434 572973611 /nfs/dbraw/zinc/97/36/11/572973611.db2.gz RKELUCDFMNTNAI-UPJWGTAASA-N 0 0 190.286 2.869 10 0 AFAERN CCCC[C@@]1(CC)C[C@H]1CO 88158589 572974354 /nfs/dbraw/zinc/97/43/54/572974354.db2.gz NKTORXLNHIKZEE-UWVGGRQHSA-N 0 0 156.269 2.585 10 0 AFAERN OC/C=C/C1CCCCCC1 59518693 572973805 /nfs/dbraw/zinc/97/38/05/572973805.db2.gz GBFFHLPOBDSDBZ-VMPITWQZSA-N 0 0 154.253 2.505 10 0 AFAERN CCCCCC[C@]1(C)C[C@@H]1CO 88159091 572973817 /nfs/dbraw/zinc/97/38/17/572973817.db2.gz ZUVHPOCKDPCDAX-GHMZBOCLSA-N 0 0 170.296 2.975 10 0 AFAERN CCC[C@]1(c2ccccc2)C[C@@H]1CO 88158028 572973895 /nfs/dbraw/zinc/97/38/95/572973895.db2.gz NFSLTDHYUSJDHO-CHWSQXEVSA-N 0 0 190.286 2.737 10 0 AFAERN CC[C@H]1CCCC[C@@]12C[C@@H]2CO 88158530 572974000 /nfs/dbraw/zinc/97/40/00/572974000.db2.gz FDEQPXZHSPTNQQ-HBNTYKKESA-N 0 0 168.280 2.585 10 0 AFAERN Cc1cc(Cl)c2c(c1N)N[C@H](C)C2 713809065 572974006 /nfs/dbraw/zinc/97/40/06/572974006.db2.gz VTURWNVOXXDSOB-ZCFIWIBFSA-N 0 0 196.681 2.587 10 0 AFAERN CCC[C@]1(c2ccccc2)C[C@H]1CO 88158030 572974012 /nfs/dbraw/zinc/97/40/12/572974012.db2.gz NFSLTDHYUSJDHO-QWHCGFSZSA-N 0 0 190.286 2.737 10 0 AFAERN CC[C@@H](C)C[C@@]1(CC)C[C@@H]1CO 88158899 572974776 /nfs/dbraw/zinc/97/47/76/572974776.db2.gz OSUJJBMZYNSLFJ-MXWKQRLJSA-N 0 0 170.296 2.831 10 0 AFAERN CCCC[C@]1(CC)C[C@@H]1CO 88158586 572974056 /nfs/dbraw/zinc/97/40/56/572974056.db2.gz NKTORXLNHIKZEE-NXEZZACHSA-N 0 0 156.269 2.585 10 0 AFAERN CCCCCC[C@@]1(C)C[C@H]1CO 88159094 572974182 /nfs/dbraw/zinc/97/41/82/572974182.db2.gz ZUVHPOCKDPCDAX-QWRGUYRKSA-N 0 0 170.296 2.975 10 0 AFAERN C/C=C/C[C@H](O)C(CC)CC 238186999 572974216 /nfs/dbraw/zinc/97/42/16/572974216.db2.gz ZUQRBRLIRCIYSP-QBBOHKLWSA-N 0 0 156.269 2.750 10 0 AFAERN OC[C@H]1C[C@@]12CCC[C@H](C1CC1)C2 88158182 572974218 /nfs/dbraw/zinc/97/42/18/572974218.db2.gz KOPOZRVXULECFX-TUAOUCFPSA-N 0 0 180.291 2.585 10 0 AFAERN CCCCCC[C@]1(C)C[C@H]1CO 88159093 572974227 /nfs/dbraw/zinc/97/42/27/572974227.db2.gz ZUVHPOCKDPCDAX-WDEREUQCSA-N 0 0 170.296 2.975 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@@]12C[C@@H]2CO 88158179 572974263 /nfs/dbraw/zinc/97/42/63/572974263.db2.gz GIAUMNWBMWBIFL-HOSYDEDBSA-N 0 0 182.307 2.831 10 0 AFAERN C[C@H]1CC(C)(C)C[C@]2(C1)C[C@@H]2CO 88158660 572974281 /nfs/dbraw/zinc/97/42/81/572974281.db2.gz SAUVOYMPZLSWDW-UMNHJUIQSA-N 0 0 182.307 2.831 10 0 AFAERN CCC[C@@]1(c2ccccc2)C[C@@H]1CO 88158029 572974284 /nfs/dbraw/zinc/97/42/84/572974284.db2.gz NFSLTDHYUSJDHO-OLZOCXBDSA-N 0 0 190.286 2.737 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@]12C[C@@H]2CO 88158181 572974285 /nfs/dbraw/zinc/97/42/85/572974285.db2.gz GIAUMNWBMWBIFL-UMNHJUIQSA-N 0 0 182.307 2.831 10 0 AFAERN CCCC1(CCC)C[C@H]1CO 88158662 572974287 /nfs/dbraw/zinc/97/42/87/572974287.db2.gz YMHSDAISCRQMTF-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@H]1CCC[C@@]2(CC1)C[C@@H]2CO 88158626 572974292 /nfs/dbraw/zinc/97/42/92/572974292.db2.gz HGUWLYIKUPZCSH-QJPTWQEYSA-N 0 0 182.307 2.975 10 0 AFAERN CC[C@@H](C)C[C@]1(CC)C[C@@H]1CO 88158897 572974788 /nfs/dbraw/zinc/97/47/88/572974788.db2.gz OSUJJBMZYNSLFJ-GMTAPVOTSA-N 0 0 170.296 2.831 10 0 AFAERN CCCC[C@]1(CC)C[C@H]1CO 88158588 572974420 /nfs/dbraw/zinc/97/44/20/572974420.db2.gz NKTORXLNHIKZEE-VHSXEESVSA-N 0 0 156.269 2.585 10 0 AFAERN C[C@H]1CCC[C@]2(CC1)C[C@@H]2CO 88158624 572974444 /nfs/dbraw/zinc/97/44/44/572974444.db2.gz JLJAURHSYRZDDG-AXFHLTTASA-N 0 0 168.280 2.585 10 0 AFAERN C[C@H]1CCC[C@@]2(CC1)C[C@@H]2CO 88158622 572974455 /nfs/dbraw/zinc/97/44/55/572974455.db2.gz JLJAURHSYRZDDG-HBNTYKKESA-N 0 0 168.280 2.585 10 0 AFAERN CCCCC[C@@]1(C)C[C@H]1CO 88158718 572974494 /nfs/dbraw/zinc/97/44/94/572974494.db2.gz NPQKGXOPJIXVMU-UWVGGRQHSA-N 0 0 156.269 2.585 10 0 AFAERN OC[C@H]1C[C@]12CCC[C@H](C1CC1)C2 88158184 572974497 /nfs/dbraw/zinc/97/44/97/572974497.db2.gz KOPOZRVXULECFX-QJPTWQEYSA-N 0 0 180.291 2.585 10 0 AFAERN OC[C@H]1C[C@H]1c1cccc2ccccc12 88158142 572974500 /nfs/dbraw/zinc/97/45/00/572974500.db2.gz NFIXUAUEYGTBMK-BXUZGUMPSA-N 0 0 198.265 2.936 10 0 AFAERN CCCC[C@@]1(CC)C[C@@H]1CO 88158587 572974646 /nfs/dbraw/zinc/97/46/46/572974646.db2.gz NKTORXLNHIKZEE-ZJUUUORDSA-N 0 0 156.269 2.585 10 0 AFAERN OC[C@@H]1C[C@@H]1c1cccc2ccccc12 88158145 572974517 /nfs/dbraw/zinc/97/45/17/572974517.db2.gz NFIXUAUEYGTBMK-FZMZJTMJSA-N 0 0 198.265 2.936 10 0 AFAERN Cc1ccc([C@H]2C[C@H](O)[C@@H]2C)cc1C 88178929 572974555 /nfs/dbraw/zinc/97/45/55/572974555.db2.gz YRFDFKKXIPRLSH-WXHSDQCUSA-N 0 0 190.286 2.788 10 0 AFAERN CCCCC[C@]1(C)C[C@H]1CO 88158717 572974623 /nfs/dbraw/zinc/97/46/23/572974623.db2.gz NPQKGXOPJIXVMU-VHSXEESVSA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@H](C)C[C@@]1(CC)C[C@@H]1CO 88158900 572974632 /nfs/dbraw/zinc/97/46/32/572974632.db2.gz OSUJJBMZYNSLFJ-AXFHLTTASA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@H]1CCC[C@]2(CC1)C[C@@H]2CO 88158628 572974666 /nfs/dbraw/zinc/97/46/66/572974666.db2.gz HGUWLYIKUPZCSH-TUAOUCFPSA-N 0 0 182.307 2.975 10 0 AFAERN CC[C@@]1(C)[C@@H](O)C[C@@H]1C(C)(C)C 88179450 572974667 /nfs/dbraw/zinc/97/46/67/572974667.db2.gz NHYKQXHXBOQOHL-WCABBAIRSA-N 0 0 170.296 2.830 10 0 AFAERN OC[C@H]1C[C@@H]1c1cccc2ccccc12 88158143 572974670 /nfs/dbraw/zinc/97/46/70/572974670.db2.gz NFIXUAUEYGTBMK-RISCZKNCSA-N 0 0 198.265 2.936 10 0 AFAERN C=C/C=C\CC[C@](C)(O)[C@@H]1C[C@H]1C 713665896 572974687 /nfs/dbraw/zinc/97/46/87/572974687.db2.gz NIOUWOHFTCLIHK-RRZDQKFSSA-N 0 0 180.291 2.916 10 0 AFAERN CC[C@H]1CCC[C@]2(C1)C[C@@H]2CO 88158620 572974698 /nfs/dbraw/zinc/97/46/98/572974698.db2.gz RCZNAOMJUTWANR-AXFHLTTASA-N 0 0 168.280 2.585 10 0 AFAERN CC[C@H](C)C[C@]1(CC)C[C@@H]1CO 88158898 572974978 /nfs/dbraw/zinc/97/49/78/572974978.db2.gz OSUJJBMZYNSLFJ-HBNTYKKESA-N 0 0 170.296 2.831 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@]2(C1)C[C@@H]2CO 88158658 572975074 /nfs/dbraw/zinc/97/50/74/572975074.db2.gz SAUVOYMPZLSWDW-HOSYDEDBSA-N 0 0 182.307 2.831 10 0 AFAERN Cc1ccc(C2[C@H](C)C(=O)[C@@H]2C)cc1 88183153 572975605 /nfs/dbraw/zinc/97/56/05/572975605.db2.gz DOZNKVVUNCKSSX-DHHPTOIESA-N 0 0 188.270 2.934 10 0 AFAERN C[C@H]1[C@@H](O)C[C@@H]1c1ccccc1Cl 88178918 572975081 /nfs/dbraw/zinc/97/50/81/572975081.db2.gz FCVIBHNRUJEMQB-HDBBIHSSSA-N 0 0 196.677 2.824 10 0 AFAERN Cc1cc(Cl)c2c(c1N)N[C@@H](C)C2 713809064 572975124 /nfs/dbraw/zinc/97/51/24/572975124.db2.gz VTURWNVOXXDSOB-LURJTMIESA-N 0 0 196.681 2.587 10 0 AFAERN CCCCCC[C@@]1(C)C[C@@H]1CO 88159092 572975156 /nfs/dbraw/zinc/97/51/56/572975156.db2.gz ZUVHPOCKDPCDAX-MNOVXSKESA-N 0 0 170.296 2.975 10 0 AFAERN CC[C@@]1(C)[C@@H](O)C[C@@H]1c1ccccc1 88179454 572975227 /nfs/dbraw/zinc/97/52/27/572975227.db2.gz AHCXWCRXHLGHQT-FRRDWIJNSA-N 0 0 190.286 2.951 10 0 AFAERN C[C@H]1[C@@H](O)C(C)(C)[C@@H]1c1cccs1 88184275 572975400 /nfs/dbraw/zinc/97/54/00/572975400.db2.gz PXPFMCFXWKRJNR-FKTZTGRPSA-N 0 0 196.315 2.869 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)C1c1cccs1 88183139 572975615 /nfs/dbraw/zinc/97/56/15/572975615.db2.gz XPOHUAPTVBLYNW-AVSFMBPQSA-N 0 0 180.272 2.687 10 0 AFAERN CC1(C)[C@@H](O)[C@H]2CCCCC[C@H]21 88184195 572975563 /nfs/dbraw/zinc/97/55/63/572975563.db2.gz MKXJGTKWUXTUEX-AEJSXWLSSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@H]1[C@@H](O)[C@@H](C)[C@@H]1c1cccs1 88183912 572975627 /nfs/dbraw/zinc/97/56/27/572975627.db2.gz QSLWYJKOHBOCEW-OEIWMXHLSA-N 0 0 196.315 2.869 10 0 AFAERN C[C@H]1C(=O)[C@H]2CCCCCC[C@@H]21 88183289 572975841 /nfs/dbraw/zinc/97/58/41/572975841.db2.gz MRCKDPJJXAYKCU-BBBLOLIVSA-N 0 0 166.264 2.792 10 0 AFAERN CCC/C(C)=C/CCCCO 238187875 572975706 /nfs/dbraw/zinc/97/57/06/572975706.db2.gz UOSJJIBANJSTKF-CSKARUKUSA-N 0 0 156.269 2.895 10 0 AFAERN CC[C@H](C)c1nc(C)c(C)c(NC)n1 51690770 572975707 /nfs/dbraw/zinc/97/57/07/572975707.db2.gz QETPLZPDJHMKCE-ZETCQYMHSA-N 0 0 193.294 2.649 10 0 AFAERN CCc1ccc(C(=O)c2ccco2)o1 51726365 572975749 /nfs/dbraw/zinc/97/57/49/572975749.db2.gz BWRNCGSLCVONSY-UHFFFAOYSA-N 0 0 190.198 2.666 10 0 AFAERN CC[C@@]1(C)C(=O)[C@H]2CCCC[C@@H]21 88183556 572975777 /nfs/dbraw/zinc/97/57/77/572975777.db2.gz BZKBWJAQVQBUNA-ATZCPNFKSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)[C@@H](O)[C@@H]2CCCCC[C@H]21 88184200 572975791 /nfs/dbraw/zinc/97/57/91/572975791.db2.gz MKXJGTKWUXTUEX-BBBLOLIVSA-N 0 0 168.280 2.584 10 0 AFAERN CCCC(=O)Cc1ccc(CC)cn1 86735799 572975911 /nfs/dbraw/zinc/97/59/11/572975911.db2.gz LJBPNVQMFYFHLS-UHFFFAOYSA-N 0 0 191.274 2.556 10 0 AFAERN CC[C@H]1C(=O)[C@H]2CCCCC[C@@H]21 88183048 572975970 /nfs/dbraw/zinc/97/59/70/572975970.db2.gz ROPHAVTVBAOACC-BBBLOLIVSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(CC)[C@H]1C[C@@H]1C(C)=O 51690287 572976052 /nfs/dbraw/zinc/97/60/52/572976052.db2.gz RIXURTXGDDIPPT-NXEZZACHSA-N 0 0 154.253 2.648 10 0 AFAERN CC/C(=C/[C@H](C)CC)[N+](=O)[O-] 51690645 572975988 /nfs/dbraw/zinc/97/59/88/572975988.db2.gz MCCYHEQERILHLL-QHRPWQPMSA-N 0 0 157.213 2.603 10 0 AFAERN CC1(C)[C@@H](O)[C@@H]2CCCCCC[C@H]21 88184217 572976042 /nfs/dbraw/zinc/97/60/42/572976042.db2.gz ZOTZJQGFLGZNSL-MXWKQRLJSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)[C@H]1[C@@H](O)C[C@@H]1c1ccccc1 88183686 572976076 /nfs/dbraw/zinc/97/60/76/572976076.db2.gz UWCXTGGWXZYSGG-FRRDWIJNSA-N 0 0 190.286 2.807 10 0 AFAERN CCC1(CC)[C@@H](O)[C@@H]2CCC[C@H]21 88184455 572976110 /nfs/dbraw/zinc/97/61/10/572976110.db2.gz HAPGJCOTGDQXNA-BBBLOLIVSA-N 0 0 168.280 2.584 10 0 AFAERN CCC1(CC)[C@@H](O)[C@@H]2CCCC[C@H]21 88184489 572976118 /nfs/dbraw/zinc/97/61/18/572976118.db2.gz RSIQGHHMQAVGBY-MXWKQRLJSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1C(O)[C@H](C)C1c1ccc(F)cc1 88184070 572976133 /nfs/dbraw/zinc/97/61/33/572976133.db2.gz IMIKEDTWLMPCGT-FIESBSMHSA-N 0 0 194.249 2.556 10 0 AFAERN CC/C(=C\C1CCCC1)[N+](=O)[O-] 51690648 572976158 /nfs/dbraw/zinc/97/61/58/572976158.db2.gz HPTFEQDYCMULCG-VQHVLOKHSA-N 0 0 169.224 2.747 10 0 AFAERN CCC(CC)[C@@H]1C[C@@H]1C(C)=O 51690286 572976163 /nfs/dbraw/zinc/97/61/63/572976163.db2.gz RIXURTXGDDIPPT-ZJUUUORDSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H]1[C@@H](O)[C@@H](C)[C@@H]1c1ccccc1 88183886 572976178 /nfs/dbraw/zinc/97/61/78/572976178.db2.gz IVDCDRWKLOWOQX-SYEHKZFSSA-N 0 0 190.286 2.807 10 0 AFAERN CC[C@@H]1[C@@H](O)[C@@H](C)[C@@H]1c1cccs1 88183914 572976180 /nfs/dbraw/zinc/97/61/80/572976180.db2.gz QSLWYJKOHBOCEW-UUTMEEIUSA-N 0 0 196.315 2.869 10 0 AFAERN CCC/C(=C/Cc1ccccc1)CO 238188175 572976186 /nfs/dbraw/zinc/97/61/86/572976186.db2.gz LFKRKEVEQNOGES-RAXLEYEMSA-N 0 0 190.286 2.948 10 0 AFAERN CC[C@@H](C)c1nc(C)c(C)c(NC)n1 51690769 572976215 /nfs/dbraw/zinc/97/62/15/572976215.db2.gz QETPLZPDJHMKCE-SSDOTTSWSA-N 0 0 193.294 2.649 10 0 AFAERN CCC(/C=C(/C)[N+](=O)[O-])CC 51690643 572976257 /nfs/dbraw/zinc/97/62/57/572976257.db2.gz JVYNZSNJUMCWNM-SREVYHEPSA-N 0 0 157.213 2.603 10 0 AFAERN CC[C@H]1[C@@H](O)[C@@H](C)[C@@H]1c1ccccc1 88183884 572976312 /nfs/dbraw/zinc/97/63/12/572976312.db2.gz IVDCDRWKLOWOQX-SQNXGDPESA-N 0 0 190.286 2.807 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)C1c1ccccc1 88183261 572976337 /nfs/dbraw/zinc/97/63/37/572976337.db2.gz RCRZAYQYZJHAQS-SLHIUPAKSA-N 0 0 174.243 2.625 10 0 AFAERN C[C@H]1C(=O)[C@H]2CCCCCC[C@H]21 88183285 572976368 /nfs/dbraw/zinc/97/63/68/572976368.db2.gz MRCKDPJJXAYKCU-UTLUCORTSA-N 0 0 166.264 2.792 10 0 AFAERN CCC1(CC)[C@@H](O)[C@H]2CCC[C@H]21 88184451 572976382 /nfs/dbraw/zinc/97/63/82/572976382.db2.gz HAPGJCOTGDQXNA-AEJSXWLSSA-N 0 0 168.280 2.584 10 0 AFAERN CC/C(=C/[C@@H](C)CC)[N+](=O)[O-] 51690646 572976390 /nfs/dbraw/zinc/97/63/90/572976390.db2.gz MCCYHEQERILHLL-VQKCLUMFSA-N 0 0 157.213 2.603 10 0 AFAERN C[C@@H]1[C@@H](c2ccccc2)C(C)(C)[C@@H]1O 88184247 572976424 /nfs/dbraw/zinc/97/64/24/572976424.db2.gz VNOFUKHUBWBNLW-ADEWGFFLSA-N 0 0 190.286 2.807 10 0 AFAERN CCC(CC)[C@@H]1C[C@H]1C(C)=O 51690288 572976462 /nfs/dbraw/zinc/97/64/62/572976462.db2.gz RIXURTXGDDIPPT-UWVGGRQHSA-N 0 0 154.253 2.648 10 0 AFAERN CCC1(CC)[C@@H](O)[C@H]2CCCC[C@H]21 88184486 572976463 /nfs/dbraw/zinc/97/64/63/572976463.db2.gz RSIQGHHMQAVGBY-AXFHLTTASA-N 0 0 182.307 2.974 10 0 AFAERN CCC/C(=C/CCCO)CC 238188071 572976482 /nfs/dbraw/zinc/97/64/82/572976482.db2.gz SCGUUKYKHGQJEJ-CSKARUKUSA-N 0 0 156.269 2.895 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)C1c1ccc(F)cc1 88183268 572976550 /nfs/dbraw/zinc/97/65/50/572976550.db2.gz DVZCLQRBIKWTAX-OQJHAAMPSA-N 0 0 192.233 2.764 10 0 AFAERN CCC(CC)c1nc(C)cc(NC)n1 51690714 572976992 /nfs/dbraw/zinc/97/69/92/572976992.db2.gz QFXUDPRJYNWWSZ-UHFFFAOYSA-N 0 0 193.294 2.730 10 0 AFAERN CCC(CC)[C@H]1C[C@H]1C(C)=O 51690289 572976650 /nfs/dbraw/zinc/97/66/50/572976650.db2.gz RIXURTXGDDIPPT-VHSXEESVSA-N 0 0 154.253 2.648 10 0 AFAERN Clc1nc(C2CCCCC2)no1 51690015 572976674 /nfs/dbraw/zinc/97/66/74/572976674.db2.gz BODXEDYKDSXFKL-UHFFFAOYSA-N 0 0 186.642 2.771 10 0 AFAERN CCc1ccc(C(=O)c2ccoc2)o1 51726374 572976681 /nfs/dbraw/zinc/97/66/81/572976681.db2.gz JGCGUEHSMBLFQM-UHFFFAOYSA-N 0 0 190.198 2.666 10 0 AFAERN CCc1ccc(CCCC(C)=O)nc1 86737988 572976723 /nfs/dbraw/zinc/97/67/23/572976723.db2.gz JIXPEOLUDWLOLL-UHFFFAOYSA-N 0 0 191.274 2.556 10 0 AFAERN CCc1ccc(C(=O)C(C)C)o1 51726142 572976801 /nfs/dbraw/zinc/97/68/01/572976801.db2.gz SKVLBBDNACWJRE-UHFFFAOYSA-N 0 0 166.220 2.681 10 0 AFAERN CC/C=C/C/C=C\C/C=C\CO 199983783 572976880 /nfs/dbraw/zinc/97/68/80/572976880.db2.gz GQHVUIIYRRZKCN-NSAMXNATSA-N 0 0 166.264 2.838 10 0 AFAERN CCCC/C=C/C(C)(C)CO 238190501 572977076 /nfs/dbraw/zinc/97/70/76/572977076.db2.gz WOISGLBAEQLMOY-BQYQJAHWSA-N 0 0 156.269 2.751 10 0 AFAERN CCCC/C=C/C=C/[C@@H](C)O 238190750 572977108 /nfs/dbraw/zinc/97/71/08/572977108.db2.gz ZGMYMULEFJVPLB-JETOPDJTSA-N 0 0 154.253 2.670 10 0 AFAERN Cc1ccc([C@@H]2CCC[C@H]2O)s1 84020184 572977425 /nfs/dbraw/zinc/97/74/25/572977425.db2.gz IYUCXKXLXLWATB-RKDXNWHRSA-N 0 0 182.288 2.685 10 0 AFAERN CC/C=C/C/C=C/C/C=C\CO 199983842 572977439 /nfs/dbraw/zinc/97/74/39/572977439.db2.gz GQHVUIIYRRZKCN-KYNNUBNZSA-N 0 0 166.264 2.838 10 0 AFAERN CCCCCNc1ccc(O)cc1O 238191206 572977511 /nfs/dbraw/zinc/97/75/11/572977511.db2.gz CBODIKJDEDWUSJ-UHFFFAOYSA-N 0 0 195.262 2.700 10 0 AFAERN O=C1CCCC2=CCC[C@H]2CC1 196581898 572977638 /nfs/dbraw/zinc/97/76/38/572977638.db2.gz NGJZITWKWQLDQC-JTQLQIEISA-N 0 0 164.248 2.856 10 0 AFAERN CCCCCNc1ccnc(=S)[nH]1 238191061 572977704 /nfs/dbraw/zinc/97/77/04/572977704.db2.gz NEECHLNXXASSLE-UHFFFAOYSA-N 0 0 197.307 2.741 10 0 AFAERN CCCC/C=C(/CC)CCO 238189448 572977998 /nfs/dbraw/zinc/97/79/98/572977998.db2.gz XCMBVDXQCOZFQI-YFHOEESVSA-N 0 0 156.269 2.895 10 0 AFAERN C[C@H]1CC(=O)C[C@@H](C)C1(C)C 196580787 572978713 /nfs/dbraw/zinc/97/87/13/572978713.db2.gz FPQCSNJAZDAIMF-OCAPTIKFSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc([C@@H]2CCC[C@@H]2O)s1 84020179 572978093 /nfs/dbraw/zinc/97/80/93/572978093.db2.gz IYUCXKXLXLWATB-BDAKNGLRSA-N 0 0 182.288 2.685 10 0 AFAERN CCCC/C=C/C=C/[C@H](C)O 238190851 572978135 /nfs/dbraw/zinc/97/81/35/572978135.db2.gz ZGMYMULEFJVPLB-FOQVDPOUSA-N 0 0 154.253 2.670 10 0 AFAERN CCCC/C=C(/CC)[C@H](C)O 238189537 572978200 /nfs/dbraw/zinc/97/82/00/572978200.db2.gz FGDZPZMKGVKTSV-CUQRQBARSA-N 0 0 156.269 2.894 10 0 AFAERN Cc1ccc2c(O)c(C)ccc2c1O 196582248 572978286 /nfs/dbraw/zinc/97/82/86/572978286.db2.gz GOQCGUCUHMZECD-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN C[C@H]1CCCCCC(=O)[C@H]1C 196580451 572978458 /nfs/dbraw/zinc/97/84/58/572978458.db2.gz XBAUNMJSYRNSTP-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1C(=O)CCCCC[C@H]1C 196580444 572978641 /nfs/dbraw/zinc/97/86/41/572978641.db2.gz XBAUNMJSYRNSTP-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCCCOCC[C@H](C)CO 238192554 572978661 /nfs/dbraw/zinc/97/86/61/572978661.db2.gz COAXAMMJOKCZAS-NSHDSACASA-N 0 0 188.311 2.602 10 0 AFAERN CC(C)=C(C)CCC[C@@H](C)O 59687467 572978697 /nfs/dbraw/zinc/97/86/97/572978697.db2.gz CESBWFAHMKTGQR-SNVBAGLBSA-N 0 0 156.269 2.894 10 0 AFAERN C[C@H]1CCCCCC(=O)[C@@H]1C 196580439 572978761 /nfs/dbraw/zinc/97/87/61/572978761.db2.gz XBAUNMJSYRNSTP-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CCCC/C=C/[C@H](O)C1CC1 238193540 572978766 /nfs/dbraw/zinc/97/87/66/572978766.db2.gz ZCSJMAADJWJJOW-PORFMDCZSA-N 0 0 154.253 2.504 10 0 AFAERN CCOC(=O)[C@@H](CC)[Si](C)(C)C 196012831 572978774 /nfs/dbraw/zinc/97/87/74/572978774.db2.gz PLPZZRDHIYDOGX-MRVPVSSYSA-N 0 0 188.343 2.668 10 0 AFAERN CCCCCC=C=CCCC(N)=O 238191674 572978866 /nfs/dbraw/zinc/97/88/66/572978866.db2.gz BAHATDZAWNLUBI-UHFFFAOYSA-N 0 0 181.279 2.544 10 0 AFAERN CCCCCCOCC[C@@H](C)CO 238192470 572978977 /nfs/dbraw/zinc/97/89/77/572978977.db2.gz COAXAMMJOKCZAS-LLVKDONJSA-N 0 0 188.311 2.602 10 0 AFAERN Cc1cc(Cl)cc2c(CO)c[nH]c12 59731752 572979036 /nfs/dbraw/zinc/97/90/36/572979036.db2.gz HGLQTUZLZUGIKR-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CCC(CC)c1coc(CO)c1 238194344 572979077 /nfs/dbraw/zinc/97/90/77/572979077.db2.gz UVFIOBPDTSKANV-UHFFFAOYSA-N 0 0 168.236 2.676 10 0 AFAERN Cc1ccc(Cl)c2c(CO)c[nH]c12 59731718 572979080 /nfs/dbraw/zinc/97/90/80/572979080.db2.gz WJQDDLAYZVZOJT-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CC[C@@H](O)/C=C/C1CCCCC1 59728777 572979153 /nfs/dbraw/zinc/97/91/53/572979153.db2.gz VQGLUSFJDARDCO-ANYFNZRUSA-N 0 0 168.280 2.894 10 0 AFAERN O=C1CCCC2=CCC[C@@H]2CC1 196581907 572979183 /nfs/dbraw/zinc/97/91/83/572979183.db2.gz NGJZITWKWQLDQC-SNVBAGLBSA-N 0 0 164.248 2.856 10 0 AFAERN C[C@@H]1CCCCCC(=O)[C@@H]1C 196580432 572979187 /nfs/dbraw/zinc/97/91/87/572979187.db2.gz XBAUNMJSYRNSTP-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1CC(=O)C[C@@H](C)C1(C)C 196580806 572979452 /nfs/dbraw/zinc/97/94/52/572979452.db2.gz FPQCSNJAZDAIMF-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)c1ccc2[nH]cc(CO)c2c1 59731723 572979453 /nfs/dbraw/zinc/97/94/53/572979453.db2.gz OBEWYDQKFLERIQ-UHFFFAOYSA-N 0 0 189.258 2.784 10 0 AFAERN C/C=C/C[C@@H](O)C(CC)CC 238192499 572979458 /nfs/dbraw/zinc/97/94/58/572979458.db2.gz ZUQRBRLIRCIYSP-LJJSCBMDSA-N 0 0 156.269 2.750 10 0 AFAERN CCC(=O)c1cc(SC)ccc1O 59737477 572979544 /nfs/dbraw/zinc/97/95/44/572979544.db2.gz WCPGICSMPZWMAU-UHFFFAOYSA-N 0 0 196.271 2.707 10 0 AFAERN CC(C)CCNc1ccnc(Cl)n1 51849370 572982325 /nfs/dbraw/zinc/98/23/25/572982325.db2.gz NOYHQHQUTGFLDT-UHFFFAOYSA-N 0 0 199.685 2.588 10 0 AFAERN OC1(CCSc2ccccc2)CC1 196173563 572982761 /nfs/dbraw/zinc/98/27/61/572982761.db2.gz ZPSHHSDOVOEMQR-UHFFFAOYSA-N 0 0 194.299 2.694 10 0 AFAERN C=C/C=C/CC[C@](C)(O)C1CC1 713671051 572983118 /nfs/dbraw/zinc/98/31/18/572983118.db2.gz BYIABYFZGJCUCA-ZWNMCFTASA-N 0 0 166.264 2.670 10 0 AFAERN Cc1cc(Cl)cc(CCCO)c1 196168763 572983149 /nfs/dbraw/zinc/98/31/49/572983149.db2.gz WQPAZQRLHRBKCE-UHFFFAOYSA-N 0 0 184.666 2.573 10 0 AFAERN C=C/C=C\CC[C@H](O)[C@@H](C)CCOC 713672368 572983684 /nfs/dbraw/zinc/98/36/84/572983684.db2.gz HHUWFWOHHNMKIN-YGABWQLJSA-N 0 0 198.306 2.542 10 0 AFAERN CC(C)C(=O)CCCc1nccs1 86828266 572984051 /nfs/dbraw/zinc/98/40/51/572984051.db2.gz DKLNJAUUQCGPKL-UHFFFAOYSA-N 0 0 197.303 2.691 10 0 AFAERN CC(C)C(=O)OCCCC(F)(F)F 196276879 572984141 /nfs/dbraw/zinc/98/41/41/572984141.db2.gz JNWCCGUNGHOUQD-UHFFFAOYSA-N 0 0 198.184 2.528 10 0 AFAERN C/C=C\c1cccc(C)c1N 196258788 572984287 /nfs/dbraw/zinc/98/42/87/572984287.db2.gz KDXGJZMDTXIFPH-HYXAFXHYSA-N 0 0 147.221 2.610 10 0 AFAERN CCc1ccc(C(C)(C)CCO)cc1 86832269 572984291 /nfs/dbraw/zinc/98/42/91/572984291.db2.gz KRAHVTCRFHLOLX-UHFFFAOYSA-N 0 0 192.302 2.909 10 0 AFAERN CCCC(=O)CCCc1nccs1 86828265 572984313 /nfs/dbraw/zinc/98/43/13/572984313.db2.gz PJXJOQOOAPPXES-UHFFFAOYSA-N 0 0 197.303 2.835 10 0 AFAERN C=C/C=C\CC[C@H](O)[C@H](C)CCOC 713672345 572984324 /nfs/dbraw/zinc/98/43/24/572984324.db2.gz HHUWFWOHHNMKIN-DUVUQDDDSA-N 0 0 198.306 2.542 10 0 AFAERN CCc1ccc(C(C)(C)CCO)o1 86832288 572984494 /nfs/dbraw/zinc/98/44/94/572984494.db2.gz WARXBBIQQWGMSP-UHFFFAOYSA-N 0 0 182.263 2.502 10 0 AFAERN CCC[C@H](O)CCCc1nccs1 86828458 572984638 /nfs/dbraw/zinc/98/46/38/572984638.db2.gz JLIAYQREMHRWLM-VIFPVBQESA-N 0 0 199.319 2.627 10 0 AFAERN CC(=O)CC(C)(C)Cc1nccs1 86828276 572984701 /nfs/dbraw/zinc/98/47/01/572984701.db2.gz APCHORQHAOLKDM-UHFFFAOYSA-N 0 0 197.303 2.691 10 0 AFAERN CCC[C@@H](O)CCCc1nccs1 86828459 572984672 /nfs/dbraw/zinc/98/46/72/572984672.db2.gz JLIAYQREMHRWLM-SECBINFHSA-N 0 0 199.319 2.627 10 0 AFAERN CCc1ccc(C(C)(C)CCO)s1 86832273 572984901 /nfs/dbraw/zinc/98/49/01/572984901.db2.gz SISHYBIDIJWQBS-UHFFFAOYSA-N 0 0 198.331 2.971 10 0 AFAERN C=C/C=C/CC[C@H](O)[C@@H](C)CCOC 713672351 572984911 /nfs/dbraw/zinc/98/49/11/572984911.db2.gz HHUWFWOHHNMKIN-WTIVYXKASA-N 0 0 198.306 2.542 10 0 AFAERN C=C/C=C\CC[C@H](O)CC(C)C 713675115 572985214 /nfs/dbraw/zinc/98/52/14/572985214.db2.gz VBVMYJQWORYKSM-GZTOBOFZSA-N 0 0 168.280 2.916 10 0 AFAERN CC(C)CCC(=O)Cc1nccs1 86827059 572985413 /nfs/dbraw/zinc/98/54/13/572985413.db2.gz JJRBJPHYIFLMSJ-UHFFFAOYSA-N 0 0 197.303 2.691 10 0 AFAERN CC(C)(C)CC(=O)Cc1nccs1 86827087 572985439 /nfs/dbraw/zinc/98/54/39/572985439.db2.gz VOGFSEHSGBDKFN-UHFFFAOYSA-N 0 0 197.303 2.691 10 0 AFAERN C=C/C=C/CC[C@H](O)CC(C)C 713675121 572985519 /nfs/dbraw/zinc/98/55/19/572985519.db2.gz VBVMYJQWORYKSM-QRGHLMKCSA-N 0 0 168.280 2.916 10 0 AFAERN C1=Cc2ccsc2N=NC1 196325590 572986189 /nfs/dbraw/zinc/98/61/89/572986189.db2.gz ZXXBUCUDNCXLKX-UHFFFAOYSA-N 0 0 150.206 2.859 10 0 AFAERN CCCCC[C@H](O)Cc1nccs1 86826771 572986216 /nfs/dbraw/zinc/98/62/16/572986216.db2.gz HFEIHDMHUNBAOV-VIFPVBQESA-N 0 0 199.319 2.627 10 0 AFAERN CCCCC[C@@H](O)Cc1nccs1 86826772 572986425 /nfs/dbraw/zinc/98/64/25/572986425.db2.gz HFEIHDMHUNBAOV-SECBINFHSA-N 0 0 199.319 2.627 10 0 AFAERN C=C/C=C/CC[C@@H](O)CC(C)C 713675119 572986557 /nfs/dbraw/zinc/98/65/57/572986557.db2.gz VBVMYJQWORYKSM-MVIFTORASA-N 0 0 168.280 2.916 10 0 AFAERN C=C/C=C\CC[C@@H](O)CC(C)C 713675117 572986666 /nfs/dbraw/zinc/98/66/66/572986666.db2.gz VBVMYJQWORYKSM-ISALQUGTSA-N 0 0 168.280 2.916 10 0 AFAERN CCC1=CC[C@H](C(C)C)C[C@H]1O 238241194 572994795 /nfs/dbraw/zinc/99/47/95/572994795.db2.gz BGPRQHXZEWCIKJ-WDEREUQCSA-N 0 0 168.280 2.750 10 0 AFAERN C/C(=C/C(C)(C)C)C(=O)OC1CC1 308216637 572992391 /nfs/dbraw/zinc/99/23/91/572992391.db2.gz ANAALKIHNVLZRA-FPLPWBNLSA-N 0 0 182.263 2.684 10 0 AFAERN CCC/C=C/CCn1ccc(C)n1 308215641 572992457 /nfs/dbraw/zinc/99/24/57/572992457.db2.gz JDNCZVSKDPQSRE-AATRIKPKSA-N 0 0 178.279 2.938 10 0 AFAERN CCCOc1c(F)cccc1OC 308216347 572992614 /nfs/dbraw/zinc/99/26/14/572992614.db2.gz JOUQXOIGRGBFBX-UHFFFAOYSA-N 0 0 184.210 2.623 10 0 AFAERN COCc1cc2cc(C)ccc2o1 257916559 572992631 /nfs/dbraw/zinc/99/26/31/572992631.db2.gz QSGXODVGRCEZKZ-UHFFFAOYSA-N 0 0 176.215 2.888 10 0 AFAERN CCC/C=C\C(=O)O[C@@H]1C=CCC1 308215719 572992663 /nfs/dbraw/zinc/99/26/63/572992663.db2.gz JGORCAKVWKCXPM-ZUYFITGHSA-N 0 0 180.247 2.605 10 0 AFAERN CSCC(C)(C)c1ccc(N)cc1 258206944 572992851 /nfs/dbraw/zinc/99/28/51/572992851.db2.gz XIJREAHCFVRUHA-UHFFFAOYSA-N 0 0 195.331 2.909 10 0 AFAERN Cc1cccc2c(Cl)c(CO)[nH]c12 258208732 572992942 /nfs/dbraw/zinc/99/29/42/572992942.db2.gz XNXANVFNDVMBHA-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CC(C)c1cc(CCCO)ccc1F 258205248 572993070 /nfs/dbraw/zinc/99/30/70/572993070.db2.gz YUYWKWDAHGWKHU-UHFFFAOYSA-N 0 0 196.265 2.874 10 0 AFAERN Clc1ccc2c(c1)NC[C@H]1C[C@@H]21 257916929 572993090 /nfs/dbraw/zinc/99/30/90/572993090.db2.gz QZJAWESPTSKLMM-HZGVNTEJSA-N 0 0 179.650 2.869 10 0 AFAERN Cc1cc2ccc(C(C)(C)O)cc2o1 258208078 572993170 /nfs/dbraw/zinc/99/31/70/572993170.db2.gz VAURCVYSADVDHV-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN Clc1ccc2c(c1)NC[C@@H]1C[C@H]21 257916947 572993200 /nfs/dbraw/zinc/99/32/00/572993200.db2.gz QZJAWESPTSKLMM-RCOVLWMOSA-N 0 0 179.650 2.869 10 0 AFAERN COCc1cc2ccc(O)cc2s1 257917286 572993289 /nfs/dbraw/zinc/99/32/89/572993289.db2.gz COKPXKZXNXTFLF-UHFFFAOYSA-N 0 0 194.255 2.753 10 0 AFAERN CCC/C=C\C(=O)O[C@H]1C=CCC1 308215716 572993371 /nfs/dbraw/zinc/99/33/71/572993371.db2.gz JGORCAKVWKCXPM-FWAPLPHYSA-N 0 0 180.247 2.605 10 0 AFAERN Cc1coc2cc(CCCO)ccc12 258205346 572993442 /nfs/dbraw/zinc/99/34/42/572993442.db2.gz YWKBIPDDVOQBNQ-UHFFFAOYSA-N 0 0 190.242 2.666 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1c1cccc(F)c1F 235678672 572993451 /nfs/dbraw/zinc/99/34/51/572993451.db2.gz FCZHCZHQXRWACP-XPUUQOCRSA-N 0 0 196.196 2.657 10 0 AFAERN CN(O)CCC1CCCCCC1 257922250 572993707 /nfs/dbraw/zinc/99/37/07/572993707.db2.gz RPIWBVSUFOIFAV-UHFFFAOYSA-N 0 0 171.284 2.668 10 0 AFAERN CCC/C=C/C(=O)O[C@H]1C=CCC1 308215717 572993839 /nfs/dbraw/zinc/99/38/39/572993839.db2.gz JGORCAKVWKCXPM-LLGDCAAFSA-N 0 0 180.247 2.605 10 0 AFAERN CC(=O)C(C)(C)[C@H]1CC=C(C)C1 238241743 572994817 /nfs/dbraw/zinc/99/48/17/572994817.db2.gz AAAOHOCWYJGNJX-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)CCCC1(C)OCCO1 113325407 572993985 /nfs/dbraw/zinc/99/39/85/572993985.db2.gz BCSSFUSQSGXKBS-UHFFFAOYSA-N 0 0 172.268 2.576 10 0 AFAERN C[C@H](CO)c1coc2c(F)cccc12 257921453 572994825 /nfs/dbraw/zinc/99/48/25/572994825.db2.gz OPYFXVNDHKKWPO-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN CC(=O)c1c(F)cc(F)c2occc12 258207499 572994284 /nfs/dbraw/zinc/99/42/84/572994284.db2.gz ZBANJDONFMUPEW-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN CCc1cnc(N)c2cc(F)ccc12 258208538 572994374 /nfs/dbraw/zinc/99/43/74/572994374.db2.gz NZGAEVMFTMZRQZ-UHFFFAOYSA-N 0 0 190.221 2.519 10 0 AFAERN CC=C=CC[C@H]1CC[C@@H](O)C=C1C 238241736 572994437 /nfs/dbraw/zinc/99/44/37/572994437.db2.gz GGHZIXWQUJYPIG-HVRRILISSA-N 0 0 178.275 2.825 10 0 AFAERN CCC[C@@H]1C(=O)CC[C@H]1CC 238240642 572994593 /nfs/dbraw/zinc/99/45/93/572994593.db2.gz UILPJNWHEQUWLN-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CC1(C)C[C@H](c2ccc(O)cc2)CO1 238240578 572994624 /nfs/dbraw/zinc/99/46/24/572994624.db2.gz RTWZKTUWGKZLMW-JTQLQIEISA-N 0 0 192.258 2.675 10 0 AFAERN CCCNc1cc(Cl)nc(CC)n1 87905751 572994684 /nfs/dbraw/zinc/99/46/84/572994684.db2.gz VKEZIJNOMBTVMV-UHFFFAOYSA-N 0 0 199.685 2.514 10 0 AFAERN CCC[C@]1(C)C(=O)[C@H]2CC[C@@H]1C2 238240775 572994701 /nfs/dbraw/zinc/99/47/01/572994701.db2.gz HOZDBHGYXBFOSP-NGZCFLSTSA-N 0 0 166.264 2.792 10 0 AFAERN CCc1ccc(C2(Cl)COC2)cc1 258526261 572994730 /nfs/dbraw/zinc/99/47/30/572994730.db2.gz HUALHCQXYVSQES-UHFFFAOYSA-N 0 0 196.677 2.713 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)C2 113279628 572995038 /nfs/dbraw/zinc/99/50/38/572995038.db2.gz LGBRYWWOVFISJX-IONNQARKSA-N 0 0 124.227 2.833 10 0 AFAERN Nc1ccc([C@@H]2CCCCS2)nc1 258208694 572994948 /nfs/dbraw/zinc/99/49/48/572994948.db2.gz XLTBAUMJSGCGCA-JTQLQIEISA-N 0 0 194.303 2.622 10 0 AFAERN CC1=CC[C@H](C(C)(C)CO)CC1 238241891 572994964 /nfs/dbraw/zinc/99/49/64/572994964.db2.gz FUNDDWKDFQHQQH-JTQLQIEISA-N 0 0 168.280 2.751 10 0 AFAERN CSc1ccc(C)c(CC(C)=O)c1 258205233 572994998 /nfs/dbraw/zinc/99/49/98/572994998.db2.gz YUSWCHWHBYQXGA-UHFFFAOYSA-N 0 0 194.299 2.848 10 0 AFAERN CCCCC1=CC[C@@H](O)CC=C1 238240609 572995075 /nfs/dbraw/zinc/99/50/75/572995075.db2.gz YOBAEFIUKYVIIU-NSHDSACASA-N 0 0 166.264 2.814 10 0 AFAERN CC(C)SCc1cscn1 258205583 572995079 /nfs/dbraw/zinc/99/50/79/572995079.db2.gz OJOMAMLBFMWMNA-UHFFFAOYSA-N 0 0 173.306 2.785 10 0 AFAERN CC=C=CC[C@H]1CC[C@H](O)C=C1C 238241745 572995130 /nfs/dbraw/zinc/99/51/30/572995130.db2.gz GGHZIXWQUJYPIG-FPGXCRLTSA-N 0 0 178.275 2.825 10 0 AFAERN OCCc1cc2c(Cl)cccc2o1 257916398 572995137 /nfs/dbraw/zinc/99/51/37/572995137.db2.gz OBASFNWUIVDRLL-UHFFFAOYSA-N 0 0 196.633 2.621 10 0 AFAERN Clc1ccc(Cl)c2nccnc12 113294208 572995144 /nfs/dbraw/zinc/99/51/44/572995144.db2.gz YCSWBBYHGSNDPJ-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN CNc1nc(C(C)C)nc(Cl)c1C 87917488 572995163 /nfs/dbraw/zinc/99/51/63/572995163.db2.gz SPXYYYKCFLTQPV-UHFFFAOYSA-N 0 0 199.685 2.604 10 0 AFAERN CCC[C@]1(C)C(=O)[C@H]2CC=C[C@@H]21 238240815 572995399 /nfs/dbraw/zinc/99/53/99/572995399.db2.gz YGRKPNKHRWGKJM-QXEWZRGKSA-N 0 0 164.248 2.568 10 0 AFAERN CCC[C@H]1CC(=O)c2ccccc2N1 238241272 572995516 /nfs/dbraw/zinc/99/55/16/572995516.db2.gz NHHDVUKNTUJDBY-VIFPVBQESA-N 0 0 189.258 2.854 10 0 AFAERN CCc1[nH]c(=O)sc1C(C)C 257916926 572995691 /nfs/dbraw/zinc/99/56/91/572995691.db2.gz QZIRUSFWOPMHJU-UHFFFAOYSA-N 0 0 171.265 2.535 10 0 AFAERN CC=C=C[C@@H](O)c1ccc(C)cc1 238241943 572995698 /nfs/dbraw/zinc/99/56/98/572995698.db2.gz CUXQIWKRHPNNHG-UZJIDVOSSA-N 0 0 174.243 2.760 10 0 AFAERN CCC[C@]1(C)C(=O)[C@@H]2CC=C[C@@H]21 238240829 572995726 /nfs/dbraw/zinc/99/57/26/572995726.db2.gz YGRKPNKHRWGKJM-YWVKMMECSA-N 0 0 164.248 2.568 10 0 AFAERN CC=C=C[C@H](O)/C=C/c1ccccc1 238242131 572995741 /nfs/dbraw/zinc/99/57/41/572995741.db2.gz AYFQSNHCPOCACT-GTTYOVCZSA-N 0 0 186.254 2.792 10 0 AFAERN Cc1c[nH]c2cccc(C(C)(C)O)c12 258206164 572995763 /nfs/dbraw/zinc/99/57/63/572995763.db2.gz UXPMPADPWWLHEB-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN CC1=CC[C@@]2(C)CCCC[C@@H]1[C@@H]2O 238240654 572995814 /nfs/dbraw/zinc/99/58/14/572995814.db2.gz KEJNTIPMGRZGGY-SDDRHHMPSA-N 0 0 180.291 2.894 10 0 AFAERN CC1(C)C[C@H]2CCCC(=O)[C@@H]2C1 238241350 572995824 /nfs/dbraw/zinc/99/58/24/572995824.db2.gz YCUKNMGEHNLOSC-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN CCCCC1=CC[C@@H](O)CC1 238240593 572995877 /nfs/dbraw/zinc/99/58/77/572995877.db2.gz CDRSIODRGPAVOF-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN Nc1ccc([C@H]2CCCCS2)nc1 258208695 572995919 /nfs/dbraw/zinc/99/59/19/572995919.db2.gz XLTBAUMJSGCGCA-SNVBAGLBSA-N 0 0 194.303 2.622 10 0 AFAERN CCC[C@@H]1c2ccccc2CC[C@H]1O 238240883 572996007 /nfs/dbraw/zinc/99/60/07/572996007.db2.gz IMBWHZKZVDSOIC-CHWSQXEVSA-N 0 0 190.286 2.877 10 0 AFAERN C[C@@H](CO)c1coc2c(F)cccc12 257921459 572996593 /nfs/dbraw/zinc/99/65/93/572996593.db2.gz OPYFXVNDHKKWPO-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN CCC1=CC[C@@H](C(C)C)C[C@H]1O 238240541 572996489 /nfs/dbraw/zinc/99/64/89/572996489.db2.gz BGPRQHXZEWCIKJ-GHMZBOCLSA-N 0 0 168.280 2.750 10 0 AFAERN C1=C[C@@H]2C[C@H]1[C@@H]1CCC[C@@H]21 113297692 572996504 /nfs/dbraw/zinc/99/65/04/572996504.db2.gz WHNYVDJJCTVMGO-JXUBOQSCSA-N 0 0 134.222 2.609 10 0 in-vitro AFAERN C[C@@H]1C(=O)C(C)(C)CC1(C)C 104526595 572996704 /nfs/dbraw/zinc/99/67/04/572996704.db2.gz YAIXUWRGQMIWKK-SSDOTTSWSA-N 0 0 154.253 2.648 10 0 AFAERN CCC1=CC[C@@H](C(C)C)C[C@@H]1O 238240530 572996712 /nfs/dbraw/zinc/99/67/12/572996712.db2.gz BGPRQHXZEWCIKJ-MNOVXSKESA-N 0 0 168.280 2.750 10 0 AFAERN CCC1(C[C@H](O)[C@@H]2C[C@@H]2C)CCC1 308219281 572996740 /nfs/dbraw/zinc/99/67/40/572996740.db2.gz BQBSNEIGONZNLI-AXFHLTTASA-N 0 0 182.307 2.974 10 0 AFAERN CC=C=CC[C@@H]1CC[C@H](O)C=C1C 238241674 572996784 /nfs/dbraw/zinc/99/67/84/572996784.db2.gz GGHZIXWQUJYPIG-OIVFQTAISA-N 0 0 178.275 2.825 10 0 AFAERN CC1(C)CC(=O)[C@@H]2C=CC[C@@H]2C1 238241252 572997041 /nfs/dbraw/zinc/99/70/41/572997041.db2.gz JKUYHSHRDAXIPD-RKDXNWHRSA-N 0 0 164.248 2.568 10 0 AFAERN CCc1cccc(-c2ncc[nH]2)c1 113262953 572997061 /nfs/dbraw/zinc/99/70/61/572997061.db2.gz DZQKIQAGSLCPFK-UHFFFAOYSA-N 0 0 172.231 2.639 10 0 AFAERN CCC(=O)c1cc(O)c(C)cc1C 238241298 572997110 /nfs/dbraw/zinc/99/71/10/572997110.db2.gz CXZUMRDKHNQWIH-UHFFFAOYSA-N 0 0 178.231 2.602 10 0 AFAERN Cc1cn(C)c2cccc([C@H](C)O)c12 258205997 572997203 /nfs/dbraw/zinc/99/72/03/572997203.db2.gz UVKKCNCIOXHWOO-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN CCCCC1=CNC(=O)CC(C)(C)C1 238240827 572997217 /nfs/dbraw/zinc/99/72/17/572997217.db2.gz UDUSPSWHAKTIMG-UHFFFAOYSA-N 0 0 195.306 2.997 10 0 AFAERN CC[C@H](NC(C)=O)c1ccccc1C 113272346 572998058 /nfs/dbraw/zinc/99/80/58/572998058.db2.gz LTVCAKKXWALKMG-LBPRGKRZSA-N 0 0 191.274 2.582 10 0 AFAERN CC(C)Sc1ccc(CNO)cc1 258207442 572997269 /nfs/dbraw/zinc/99/72/69/572997269.db2.gz YZVBPSZKIHKUIP-UHFFFAOYSA-N 0 0 197.303 2.666 10 0 AFAERN CCCCC1=CC[C@H](O)CC=C1 238240755 572997313 /nfs/dbraw/zinc/99/73/13/572997313.db2.gz YOBAEFIUKYVIIU-LLVKDONJSA-N 0 0 166.264 2.814 10 0 AFAERN CC1(C)C[C@H]2C=CC[C@@H](C1)C2=O 238241328 572997326 /nfs/dbraw/zinc/99/73/26/572997326.db2.gz XKFYCRATGOTQGN-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccc(CC(F)(F)F)c(O)c1 104528185 572997376 /nfs/dbraw/zinc/99/73/76/572997376.db2.gz SPXRHWBLPFHERV-UHFFFAOYSA-N 0 0 190.164 2.805 10 0 AFAERN CCCCC1=CNC(=O)CC(C)=CC1 238240842 572997444 /nfs/dbraw/zinc/99/74/44/572997444.db2.gz DVSDKXWZYRZVQT-UHFFFAOYSA-N 0 0 193.290 2.917 10 0 AFAERN COCc1coc2cc(F)ccc12 257919797 572997450 /nfs/dbraw/zinc/99/74/50/572997450.db2.gz CUTHNFDARJDGJO-UHFFFAOYSA-N 0 0 180.178 2.718 10 0 AFAERN CC1(C)C[C@H]2C(=O)CC[C@@]2(C)C1 238240794 572997453 /nfs/dbraw/zinc/99/74/53/572997453.db2.gz YBPGOZKFBOCACN-KWQFWETISA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C(=O)C(C)(C)CC1(C)C 104526598 572997476 /nfs/dbraw/zinc/99/74/76/572997476.db2.gz YAIXUWRGQMIWKK-ZETCQYMHSA-N 0 0 154.253 2.648 10 0 AFAERN CC1(C)C[C@@H]2C(=O)CCC[C@@H]2C1 238241384 572997523 /nfs/dbraw/zinc/99/75/23/572997523.db2.gz YCUKNMGEHNLOSC-BDAKNGLRSA-N 0 0 166.264 2.792 10 0 AFAERN CCCC[C@H]1CC(=O)C[C@H]1C 238241633 572997530 /nfs/dbraw/zinc/99/75/30/572997530.db2.gz DPWIFFDXRIBYEA-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](Cl)C(=O)C1CCCC1 113317304 572997634 /nfs/dbraw/zinc/99/76/34/572997634.db2.gz YXPYKDOIMRLVEA-QMMMGPOBSA-N 0 0 174.671 2.763 10 0 AFAERN CC1(C)C[C@H](c2ccccc2)C1=O 238240611 572997707 /nfs/dbraw/zinc/99/77/07/572997707.db2.gz TXRNWFKTFGHRFM-SNVBAGLBSA-N 0 0 174.243 2.769 10 0 AFAERN CCCCCOC(=O)C[C@@H]1C[C@@H]1C 308218531 572997724 /nfs/dbraw/zinc/99/77/24/572997724.db2.gz KGRNYKJRZGATMT-UWVGGRQHSA-N 0 0 184.279 2.766 10 0 AFAERN CCCC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2 238242042 572997725 /nfs/dbraw/zinc/99/77/25/572997725.db2.gz CTPVBIZIJCUGIN-IVZWLZJFSA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)CC(=O)[C@H]2C=CC[C@@H]2C1 238241227 572997799 /nfs/dbraw/zinc/99/77/99/572997799.db2.gz JKUYHSHRDAXIPD-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN CC1=CC[C@H](C(C)(C)OC(N)=O)CC1 238242015 572997805 /nfs/dbraw/zinc/99/78/05/572997805.db2.gz FAWOOBVOAIFUAT-VIFPVBQESA-N 0 0 197.278 2.607 10 0 AFAERN CC1=CC[C@]2(C)C(=O)CCC[C@H]12 238240804 572997857 /nfs/dbraw/zinc/99/78/57/572997857.db2.gz NDETXFCLEYGETN-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CC=C=CC[C@H](O)c1ccccc1 238241703 572997864 /nfs/dbraw/zinc/99/78/64/572997864.db2.gz TXWIDPTZNYLPRT-XVGBWTPOSA-N 0 0 174.243 2.841 10 0 AFAERN CC1(C)CC(=O)[C@@H]2CC=C[C@@H]2C1 238240918 572998043 /nfs/dbraw/zinc/99/80/43/572998043.db2.gz BZTQXCOZRUVHCB-RKDXNWHRSA-N 0 0 164.248 2.568 10 0 AFAERN CC=C=CCC(=O)c1ccccc1 238241356 572998078 /nfs/dbraw/zinc/99/80/78/572998078.db2.gz YFNGTFFKNAHWTG-UHFFFAOYSA-N 0 0 172.227 2.991 10 0 AFAERN CC(=O)[C@@H](F)c1ccccc1Cl 257918334 572998135 /nfs/dbraw/zinc/99/81/35/572998135.db2.gz RCUCIVQOQOEAGI-SECBINFHSA-N 0 0 186.613 2.940 10 0 AFAERN CC1(C)C[C@H]2CC=C[C@H](C2)C1=O 238241243 572998216 /nfs/dbraw/zinc/99/82/16/572998216.db2.gz LNLCPAKBUYPPPJ-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccc(C)n1C[C@H]1CCO[C@@H]1C 235679910 572998248 /nfs/dbraw/zinc/99/82/48/572998248.db2.gz GYACBZZIBWFLGP-VXGBXAGGSA-N 0 0 193.290 2.530 10 0 AFAERN CC=C=C[C@H](O)c1ccc(C)cc1 238242143 572998279 /nfs/dbraw/zinc/99/82/79/572998279.db2.gz CUXQIWKRHPNNHG-OPPNHZGFSA-N 0 0 174.243 2.760 10 0 AFAERN CCCC[C@H]1C=CC=CCC1=O 238241110 572998373 /nfs/dbraw/zinc/99/83/73/572998373.db2.gz ZLSYWJWUGKEUFP-JTQLQIEISA-N 0 0 164.248 2.878 10 0 AFAERN CC=C=C[C@@H](O)/C=C/c1ccccc1 238241926 572998382 /nfs/dbraw/zinc/99/83/82/572998382.db2.gz AYFQSNHCPOCACT-UOKNRIEOSA-N 0 0 186.254 2.792 10 0 AFAERN CC(C)c1ccc(NN)c(Cl)c1 104531958 572998400 /nfs/dbraw/zinc/99/84/00/572998400.db2.gz PYEXLRLBHUJXIA-UHFFFAOYSA-N 0 0 184.670 2.749 10 0 AFAERN CC1=CC[C@]2(C)C(=O)CCC[C@@H]12 238240845 572998490 /nfs/dbraw/zinc/99/84/90/572998490.db2.gz NDETXFCLEYGETN-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN CCSc1cc(F)cc(F)c1N 123406323 572998505 /nfs/dbraw/zinc/99/85/05/572998505.db2.gz VQFYURHVTKIZTK-UHFFFAOYSA-N 0 0 189.230 2.659 10 0 AFAERN CC1([C@H]2CCC(=O)C2)CCCC1 238240529 572998530 /nfs/dbraw/zinc/99/85/30/572998530.db2.gz DYZRFJWKIWVBOT-VIFPVBQESA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc(Cl)c(CN(C)O)s1 214670027 572998547 /nfs/dbraw/zinc/99/85/47/572998547.db2.gz UMUZINPKCHGRQW-UHFFFAOYSA-N 0 0 191.683 2.531 10 0 AFAERN CCCCC1=CC[C@H](O)CC1 238240744 572998610 /nfs/dbraw/zinc/99/86/10/572998610.db2.gz CDRSIODRGPAVOF-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CCCC[C@H]1CC(=O)C[C@@H]1C 238241605 572999084 /nfs/dbraw/zinc/99/90/84/572999084.db2.gz DPWIFFDXRIBYEA-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CCO/C=C(\C)C(=O)c1ccsc1 382176237 572999134 /nfs/dbraw/zinc/99/91/34/572999134.db2.gz XAENUNDBITWTDA-SOFGYWHQSA-N 0 0 196.271 2.871 10 0 AFAERN CON(CC1CCC1)C1CCCC1 308476463 572999233 /nfs/dbraw/zinc/99/92/33/572999233.db2.gz LYYOKVIESUNAOI-UHFFFAOYSA-N 0 0 183.295 2.593 10 0 AFAERN C[C@@H]1Cc2cc([C@@H](C)O)ccc2S1 257917772 572999345 /nfs/dbraw/zinc/99/93/45/572999345.db2.gz BVBSDPBURILWSH-HTQZYQBOSA-N 0 0 194.299 2.777 10 0 AFAERN CC[C@H](C)Cc1ccc(NN)cc1 104535689 572999406 /nfs/dbraw/zinc/99/94/06/572999406.db2.gz GACLYOVLWJBGNY-VIFPVBQESA-N 0 0 178.279 2.561 10 0 AFAERN COC(=O)C(C)(C)c1ccc(C)s1 257918707 572999478 /nfs/dbraw/zinc/99/94/78/572999478.db2.gz XWJLSMIIGLGZFC-UHFFFAOYSA-N 0 0 198.287 2.507 10 0 AFAERN CC[C@@H](C)Cc1ccc(NN)cc1 104535683 572999551 /nfs/dbraw/zinc/99/95/51/572999551.db2.gz GACLYOVLWJBGNY-SECBINFHSA-N 0 0 178.279 2.561 10 0 AFAERN CCOCc1cc2ccc(N)cc2o1 257919964 572999554 /nfs/dbraw/zinc/99/95/54/572999554.db2.gz CVVJYNQJRXCOHE-UHFFFAOYSA-N 0 0 191.230 2.552 10 0 AFAERN CCCC[C@@H]1C=CNC(=S)C1 238242237 572999705 /nfs/dbraw/zinc/99/97/05/572999705.db2.gz JGDRUVVUWLKDHH-MRVPVSSYSA-N 0 0 169.293 2.627 10 0 AFAERN C[C@H](O)[C@H](C)OCCCC(C)(C)C 308219318 572999732 /nfs/dbraw/zinc/99/97/32/572999732.db2.gz BRFLYKRNEVATLD-UWVGGRQHSA-N 0 0 188.311 2.599 10 0 AFAERN CC(=O)[C@H](F)c1ccccc1Cl 257918335 573000459 /nfs/dbraw/zinc/00/04/59/573000459.db2.gz RCUCIVQOQOEAGI-VIFPVBQESA-N 0 0 186.613 2.940 10 0 AFAERN CC(C)c1ccccc1CC1(O)CC1 258209859 573000730 /nfs/dbraw/zinc/00/07/30/573000730.db2.gz ZILYUZIKFZRICW-UHFFFAOYSA-N 0 0 190.286 2.877 10 0 AFAERN CCCCCOC(=O)C[C@H]1C[C@H]1C 308218530 573000810 /nfs/dbraw/zinc/00/08/10/573000810.db2.gz KGRNYKJRZGATMT-NXEZZACHSA-N 0 0 184.279 2.766 10 0 AFAERN CC/C=C/C(=O)OC1CC(C)(C)C1 308219739 573000865 /nfs/dbraw/zinc/00/08/65/573000865.db2.gz KQNCGPYSUNHJGE-AATRIKPKSA-N 0 0 182.263 2.684 10 0 AFAERN COCc1csc(CC2CCC2)n1 308219605 573000948 /nfs/dbraw/zinc/00/09/48/573000948.db2.gz NSLIGIWAXUTYGW-UHFFFAOYSA-N 0 0 197.303 2.632 10 0 AFAERN CCCCCOC(=O)C[C@@H]1C[C@H]1C 308218533 573001044 /nfs/dbraw/zinc/00/10/44/573001044.db2.gz KGRNYKJRZGATMT-ZJUUUORDSA-N 0 0 184.279 2.766 10 0 AFAERN CC1(C)C[C@]12C[C@@]1(CC1(C)C)C2=O 238245173 573001128 /nfs/dbraw/zinc/00/11/28/573001128.db2.gz GWTVMTZDGCJNPF-TXEJJXNPSA-N 0 0 178.275 2.792 10 0 AFAERN NC(=O)C1CCCCCCCCC1 113328184 573001480 /nfs/dbraw/zinc/00/14/80/573001480.db2.gz UGFFEMMGNPRQLQ-UHFFFAOYSA-N 0 0 183.295 2.612 10 0 AFAERN CC(C)c1cc(F)cc(C[C@@H](C)O)c1 258209657 573001691 /nfs/dbraw/zinc/00/16/91/573001691.db2.gz ZDYQFSXZUMGGSB-SECBINFHSA-N 0 0 196.265 2.872 10 0 AFAERN CC1=CC[C@H]2[C@H]1C(=O)CC2(C)C 238244502 573001808 /nfs/dbraw/zinc/00/18/08/573001808.db2.gz HEXNBUQTFRBAPR-WPRPVWTQSA-N 0 0 164.248 2.568 10 0 AFAERN CC1=CC[C@H]2CCC[C@@H](C1)C2=O 238243845 573001827 /nfs/dbraw/zinc/00/18/27/573001827.db2.gz FIGMGRMODHHAQQ-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@H]1Cc2cc([C@@H](C)O)ccc2S1 257917773 573001829 /nfs/dbraw/zinc/00/18/29/573001829.db2.gz BVBSDPBURILWSH-JGVFFNPUSA-N 0 0 194.299 2.777 10 0 AFAERN OCC/C=C\Cc1ccc(Cl)cc1 258212342 573001878 /nfs/dbraw/zinc/00/18/78/573001878.db2.gz OBZABWBLDRXCSK-UPHRSURJSA-N 0 0 196.677 2.821 10 0 AFAERN CCNC(=O)[C@@H]1C(C)=CCCC1(C)C 238250515 573001972 /nfs/dbraw/zinc/00/19/72/573001972.db2.gz UQGFMSCNHRQMBF-JTQLQIEISA-N 0 0 195.306 2.505 10 0 AFAERN Cc1cccc(C(C)(C)CO)c1Cl 258210717 573002013 /nfs/dbraw/zinc/00/20/13/573002013.db2.gz TZTGRDQDUQVVQZ-UHFFFAOYSA-N 0 0 198.693 2.918 10 0 AFAERN Cc1cccc(-c2c[nH]cc2N)c1 258212531 573002063 /nfs/dbraw/zinc/00/20/63/573002063.db2.gz WNMOMCFNICBBCE-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CC(C)[C@H](C)Oc1cccc(C=O)c1 259598297 573002141 /nfs/dbraw/zinc/00/21/41/573002141.db2.gz PVARVTMJDFIBCA-JTQLQIEISA-N 0 0 192.258 2.922 10 0 AFAERN CCCC(=O)c1[nH]c(C)cc1C 238244742 573002240 /nfs/dbraw/zinc/00/22/40/573002240.db2.gz HNSHXVUQLIINOG-UHFFFAOYSA-N 0 0 165.236 2.614 10 0 AFAERN CC(C)OC[C@H](O)CC1=CCCCC1 128359969 573002342 /nfs/dbraw/zinc/00/23/42/573002342.db2.gz RLKJDFRLEFBVIK-GFCCVEGCSA-N 0 0 198.306 2.663 10 0 AFAERN c1nc(-c2cc3[nH]ccc3s2)c[nH]1 104537315 573002367 /nfs/dbraw/zinc/00/23/67/573002367.db2.gz LQDPRKRWORHOCA-UHFFFAOYSA-N 0 0 189.243 2.620 10 0 AFAERN CC[C@H](CC(C)(C)C)[C@@H](C)O 224333432 573002384 /nfs/dbraw/zinc/00/23/84/573002384.db2.gz UPLKLKNLXASLMZ-RKDXNWHRSA-N 0 0 158.285 2.830 10 0 AFAERN CCC[C@@H](C(C)=O)c1ccccn1 238243901 573002404 /nfs/dbraw/zinc/00/24/04/573002404.db2.gz CFSBLCWZDBALAY-JTQLQIEISA-N 0 0 177.247 2.554 10 0 AFAERN CCC(CC)OC(=O)C[C@@H]1C[C@@H]1C 308232054 573002443 /nfs/dbraw/zinc/00/24/43/573002443.db2.gz PELFHUCVHQIKPE-IUCAKERBSA-N 0 0 184.279 2.764 10 0 AFAERN CCC(CC)OC(=O)C[C@H]1C[C@@H]1C 308232053 573002513 /nfs/dbraw/zinc/00/25/13/573002513.db2.gz PELFHUCVHQIKPE-DTWKUNHWSA-N 0 0 184.279 2.764 10 0 AFAERN CCCC(=O)c1c(C)c[nH]c1C 238244822 573002911 /nfs/dbraw/zinc/00/29/11/573002911.db2.gz VPEAPRNEHZTDRS-UHFFFAOYSA-N 0 0 165.236 2.614 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)CCC2=O 238245017 573002949 /nfs/dbraw/zinc/00/29/49/573002949.db2.gz DEOMRLCNZFEWBE-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN CCOC(=O)/C=C/C=C\C1CCCC1 308473328 573002959 /nfs/dbraw/zinc/00/29/59/573002959.db2.gz RDNZEGCOQFZRBN-VTBWALSUSA-N 0 0 194.274 2.852 10 0 AFAERN Clc1cc(-c2cnsc2)ccn1 104534895 573003422 /nfs/dbraw/zinc/00/34/22/573003422.db2.gz PSVIEKQNWDBZHY-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN CCCCOC(=O)C1CC(C)(C)C1 308213474 573003791 /nfs/dbraw/zinc/00/37/91/573003791.db2.gz HSLYIGZNXFFXAO-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C[C@@H]1C[C@H]1c1cccc(O)c1 113437733 573003856 /nfs/dbraw/zinc/00/38/56/573003856.db2.gz GROSVBFHXRUOCC-GMSGAONNSA-N 0 0 148.205 2.516 10 0 AFAERN CCCC(=O)c1c(C)[nH]c(C)c1C 238244784 573003883 /nfs/dbraw/zinc/00/38/83/573003883.db2.gz XBRQXJJIGZHULF-UHFFFAOYSA-N 0 0 179.263 2.923 10 0 AFAERN CCCOC[C@@H](O)CC1=CCCCC1 128359704 573003953 /nfs/dbraw/zinc/00/39/53/573003953.db2.gz LDCIRPXPTGNBJM-LBPRGKRZSA-N 0 0 198.306 2.664 10 0 AFAERN CCC(CC)OC(=O)C[C@@H]1C[C@H]1C 308232052 573003979 /nfs/dbraw/zinc/00/39/79/573003979.db2.gz PELFHUCVHQIKPE-BDAKNGLRSA-N 0 0 184.279 2.764 10 0 AFAERN Cc1cc2cc(O)ccc2c(Cl)n1 258216333 573004019 /nfs/dbraw/zinc/00/40/19/573004019.db2.gz OJDSTEONWUZBMI-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CCOC(=O)/C=C/C=C1\CCC1(C)C 308472934 573004082 /nfs/dbraw/zinc/00/40/82/573004082.db2.gz CLGPWNWAUUHERN-YLNKAEQOSA-N 0 0 194.274 2.852 10 0 AFAERN CCN1CCc2cc(SC)ccc21 238244016 573004187 /nfs/dbraw/zinc/00/41/87/573004187.db2.gz WPSRMRMKSXJIMY-UHFFFAOYSA-N 0 0 193.315 2.791 10 0 AFAERN CCCCCCNc1cc[nH]c(=O)c1 308472807 573004226 /nfs/dbraw/zinc/00/42/26/573004226.db2.gz IPGHDSCZZSVNBA-UHFFFAOYSA-N 0 0 194.278 2.779 10 0 AFAERN CC(C)(C)[C@@H](CO)c1cccc(F)c1 258215405 573004248 /nfs/dbraw/zinc/00/42/48/573004248.db2.gz YAQOMQJNJVPDFL-NSHDSACASA-N 0 0 196.265 2.948 10 0 AFAERN CCCn1nccc1NCC(C)(C)C 308473723 573004347 /nfs/dbraw/zinc/00/43/47/573004347.db2.gz AKGZRMBPPHYKGK-UHFFFAOYSA-N 0 0 195.310 2.751 10 0 AFAERN CC(C)[C@@H](C)Oc1cccc(C=O)c1 259598300 573004448 /nfs/dbraw/zinc/00/44/48/573004448.db2.gz PVARVTMJDFIBCA-SNVBAGLBSA-N 0 0 192.258 2.922 10 0 AFAERN Cc1cc2c(Cl)ncnc2cc1F 113476104 573004466 /nfs/dbraw/zinc/00/44/66/573004466.db2.gz DVZXGVJUZMWVGW-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN CCCC[C@H]1Cc2cccc(O)c2O1 238250655 573004537 /nfs/dbraw/zinc/00/45/37/573004537.db2.gz VPHUFMVVYWMEEI-JTQLQIEISA-N 0 0 192.258 2.886 10 0 AFAERN CCNC(=O)[C@@H]1CCC(C)(C)C=C1C 238250658 573004561 /nfs/dbraw/zinc/00/45/61/573004561.db2.gz BYSSYAYLWWYZCL-SNVBAGLBSA-N 0 0 195.306 2.505 10 0 AFAERN C[C@@H]1C[C@H]1c1ccccc1O 113435759 573004577 /nfs/dbraw/zinc/00/45/77/573004577.db2.gz HPLMWABASMXOLX-VXNVDRBHSA-N 0 0 148.205 2.516 10 0 AFAERN CC[C@@]1(C)CNc2ccccc2N1 76861093 573004583 /nfs/dbraw/zinc/00/45/83/573004583.db2.gz FAEXQTHRNBPORM-NSHDSACASA-N 0 0 176.263 2.693 10 0 AFAERN Cc1cc(F)c(F)c(C(C)(C)O)c1 258214358 573004598 /nfs/dbraw/zinc/00/45/98/573004598.db2.gz ZUKGOPBKPKNVPJ-UHFFFAOYSA-N 0 0 186.201 2.501 10 0 AFAERN CONCc1csc2ccccc12 82368002 573004663 /nfs/dbraw/zinc/00/46/63/573004663.db2.gz UVWKARHZJKGRAX-UHFFFAOYSA-N 0 0 193.271 2.552 10 0 AFAERN C[C@@H](O)c1ccc2c(c1)SCCC2 258215979 573004741 /nfs/dbraw/zinc/00/47/41/573004741.db2.gz ZXUQIJYQQYKRHN-MRVPVSSYSA-N 0 0 194.299 2.778 10 0 AFAERN CC(C)(C)[C@H](CO)c1cccc(F)c1 258215400 573004858 /nfs/dbraw/zinc/00/48/58/573004858.db2.gz YAQOMQJNJVPDFL-LLVKDONJSA-N 0 0 196.265 2.948 10 0 AFAERN CCCC(=O)[C@H](C)C(C)C 113445505 573004860 /nfs/dbraw/zinc/00/48/60/573004860.db2.gz CAZAYDVDRJEKPJ-MRVPVSSYSA-N 0 0 142.242 2.648 10 0 AFAERN Cc1cccc(Cl)c1NC#N 85388700 573004870 /nfs/dbraw/zinc/00/48/70/573004870.db2.gz WAXDLSXCYHWUSO-UHFFFAOYSA-N 0 0 166.611 2.541 10 0 AFAERN CC(C)(O)c1ccc2scnc2c1 258216014 573004898 /nfs/dbraw/zinc/00/48/98/573004898.db2.gz ZYGSMSCVGQTDRC-UHFFFAOYSA-N 0 0 193.271 2.524 10 0 AFAERN CCCC(=O)[C@@H](C)C(C)C 113445503 573004914 /nfs/dbraw/zinc/00/49/14/573004914.db2.gz CAZAYDVDRJEKPJ-QMMMGPOBSA-N 0 0 142.242 2.648 10 0 AFAERN CCSCc1ccc(OC)cc1N 258217053 573004966 /nfs/dbraw/zinc/00/49/66/573004966.db2.gz XAWSFDLCOIUQRG-UHFFFAOYSA-N 0 0 197.303 2.531 10 0 AFAERN C[C@H](O)Cc1ccccc1C1CCC1 258215986 573005032 /nfs/dbraw/zinc/00/50/32/573005032.db2.gz ZXWNBHKVWLLMBH-JTQLQIEISA-N 0 0 190.286 2.877 10 0 AFAERN COc1cc(C)c(C(C)(C)O)c(C)c1 258214297 573005210 /nfs/dbraw/zinc/00/52/10/573005210.db2.gz ZSMRAQDKTHZUJZ-UHFFFAOYSA-N 0 0 194.274 2.539 10 0 AFAERN CC1(C)C[C@@]12C[C@@]1(CC1(C)C)C2=O 238245165 573005299 /nfs/dbraw/zinc/00/52/99/573005299.db2.gz GWTVMTZDGCJNPF-RYUDHWBXSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)(O)c1cccc2ncsc12 258214393 573005339 /nfs/dbraw/zinc/00/53/39/573005339.db2.gz ZVRICWGHMNLTCD-UHFFFAOYSA-N 0 0 193.271 2.524 10 0 AFAERN CCCC(=O)[C@]12CCC[C@H]1[C@@H]2C 238244602 573005479 /nfs/dbraw/zinc/00/54/79/573005479.db2.gz ZNASVESYERAMBV-QXEWZRGKSA-N 0 0 166.264 2.792 10 0 AFAERN CCCC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2 238244018 573005537 /nfs/dbraw/zinc/00/55/37/573005537.db2.gz CTPVBIZIJCUGIN-AEJSXWLSSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)COc1ccc2[nH]cnc2c1 76859147 573005584 /nfs/dbraw/zinc/00/55/84/573005584.db2.gz BPQYYCLWEBVNSF-UHFFFAOYSA-N 0 0 190.246 2.598 10 0 AFAERN C[C@@H]1C[C@@H]1c1ccc(O)cc1 113443751 573005592 /nfs/dbraw/zinc/00/55/92/573005592.db2.gz SDFLDGFKYQZYSW-XCBNKYQSSA-N 0 0 148.205 2.516 10 0 AFAERN C[C@@H](F)c1ccc([C@@H](C)CO)cc1 258214261 573005605 /nfs/dbraw/zinc/00/56/05/573005605.db2.gz ZRQFVYWYWVGIJP-DTWKUNHWSA-N 0 0 182.238 2.813 10 0 AFAERN CC1=CC[C@@]2(C)C(=O)CCC[C@@H]12 238245338 573005615 /nfs/dbraw/zinc/00/56/15/573005615.db2.gz NDETXFCLEYGETN-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@H](F)c1ccc([C@H](C)CO)cc1 258214260 573005782 /nfs/dbraw/zinc/00/57/82/573005782.db2.gz ZRQFVYWYWVGIJP-BDAKNGLRSA-N 0 0 182.238 2.813 10 0 AFAERN C[C@@H]1C[C@@H]1c1ccccc1O 113435754 573005788 /nfs/dbraw/zinc/00/57/88/573005788.db2.gz HPLMWABASMXOLX-APPZFPTMSA-N 0 0 148.205 2.516 10 0 AFAERN CC1=CC[C@@]2(C)C(=O)CCC[C@H]12 238245301 573005792 /nfs/dbraw/zinc/00/57/92/573005792.db2.gz NDETXFCLEYGETN-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@H](F)c1ccc([C@@H](C)CO)cc1 258214263 573005798 /nfs/dbraw/zinc/00/57/98/573005798.db2.gz ZRQFVYWYWVGIJP-IUCAKERBSA-N 0 0 182.238 2.813 10 0 AFAERN c1ccc2c(c1)NCC1(CCCC1)N2 76861084 573006272 /nfs/dbraw/zinc/00/62/72/573006272.db2.gz DDAUSEYWTBXYTE-UHFFFAOYSA-N 0 0 188.274 2.837 10 0 AFAERN C[C@H]1C[C@@H]1c1ccc(O)cc1 113443754 573006264 /nfs/dbraw/zinc/00/62/64/573006264.db2.gz SDFLDGFKYQZYSW-XVKPBYJWSA-N 0 0 148.205 2.516 10 0 AFAERN Cc1ccc(C)c(OCCF)c1 87924065 573006265 /nfs/dbraw/zinc/00/62/65/573006265.db2.gz HWTPPAAKHUKSMA-UHFFFAOYSA-N 0 0 168.211 2.652 10 0 AFAERN CCCc1nnc([C@@H](C)C(C)C)o1 308473661 573006477 /nfs/dbraw/zinc/00/64/77/573006477.db2.gz LHOMVTJCDXPHOX-QMMMGPOBSA-N 0 0 182.267 2.782 10 0 AFAERN C=CC(=O)Nc1c(C)cccc1Cl 85389438 573006498 /nfs/dbraw/zinc/00/64/98/573006498.db2.gz WXZHYWPLDRZBLZ-UHFFFAOYSA-N 0 0 195.649 2.773 10 0 AFAERN Cc1cc(O)ccc1COC(C)C 258214961 573006564 /nfs/dbraw/zinc/00/65/64/573006564.db2.gz WXTSVPJSTNOXJY-UHFFFAOYSA-N 0 0 180.247 2.626 10 0 AFAERN CCCOC(=O)N[C@@H]1CC[C@H](C)[C@@H]1C 308472543 573006642 /nfs/dbraw/zinc/00/66/42/573006642.db2.gz JVSVTDASAWGHDG-LPEHRKFASA-N 0 0 199.294 2.557 10 0 AFAERN CCCc1nnc([C@H](C)C(C)C)o1 308473654 573006656 /nfs/dbraw/zinc/00/66/56/573006656.db2.gz LHOMVTJCDXPHOX-MRVPVSSYSA-N 0 0 182.267 2.782 10 0 AFAERN CCCOC(=O)N[C@@H]1CC[C@@H](C)[C@H]1C 308472544 573006716 /nfs/dbraw/zinc/00/67/16/573006716.db2.gz JVSVTDASAWGHDG-OPRDCNLKSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)[C@H](C)c1ccc(NN)cc1 104552938 573006899 /nfs/dbraw/zinc/00/68/99/573006899.db2.gz DMTRDMCRGUPOJG-VIFPVBQESA-N 0 0 178.279 2.732 10 0 AFAERN Cc1cccc2cc(N)cc(F)c12 259598897 573006916 /nfs/dbraw/zinc/00/69/16/573006916.db2.gz CZGCMCXPZHDJCP-UHFFFAOYSA-N 0 0 175.206 2.870 10 0 AFAERN CCNC(=O)[C@@]1(C)CC[C@@H](C(C)C)C1 238251515 573008724 /nfs/dbraw/zinc/00/87/24/573008724.db2.gz SKGRFVLPIKJWLO-PWSUYJOCSA-N 0 0 197.322 2.585 10 0 AFAERN CC1=C[C@@](C)(C(F)(F)F)CC[C@@H]1O 238251460 573006954 /nfs/dbraw/zinc/00/69/54/573006954.db2.gz KUSPOKRVRQQRAH-YUMQZZPRSA-N 0 0 194.196 2.656 10 0 AFAERN C[C@H](CO)c1ccc([C@@H](C)F)cc1 258214265 573006972 /nfs/dbraw/zinc/00/69/72/573006972.db2.gz ZRQFVYWYWVGIJP-RKDXNWHRSA-N 0 0 182.238 2.813 10 0 AFAERN Fc1ccc2c(c1)OC1(CCC1)CN2 259307432 573007038 /nfs/dbraw/zinc/00/70/38/573007038.db2.gz RDMRFHLQHUZKJC-UHFFFAOYSA-N 0 0 193.221 2.553 10 0 AFAERN CC1=C2CCCC[C@H]2NC(=O)S1 238252195 573007083 /nfs/dbraw/zinc/00/70/83/573007083.db2.gz PULISVXJWHTTHR-MRVPVSSYSA-N 0 0 183.276 2.659 10 0 AFAERN CC1=C2CCC(=O)C[C@@]2(C)CC1 238251467 573007117 /nfs/dbraw/zinc/00/71/17/573007117.db2.gz GSRZFXGWZRXDPP-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CC(C)[C@@]1(C)CNc2ccccc2N1 76861097 573007132 /nfs/dbraw/zinc/00/71/32/573007132.db2.gz SGSYGEPFLALFPW-GFCCVEGCSA-N 0 0 190.290 2.939 10 0 AFAERN C[C@@H]1C[C@H]1c1ccc(O)cc1 113443756 573007165 /nfs/dbraw/zinc/00/71/65/573007165.db2.gz SDFLDGFKYQZYSW-GMSGAONNSA-N 0 0 148.205 2.516 10 0 AFAERN CCCOC(=O)N[C@@H]1CC[C@H](C)[C@H]1C 308472541 573007260 /nfs/dbraw/zinc/00/72/60/573007260.db2.gz JVSVTDASAWGHDG-IVZWLZJFSA-N 0 0 199.294 2.557 10 0 AFAERN CC1=C2CCCC[C@@H]2CC[C@H]1O 238251924 573007266 /nfs/dbraw/zinc/00/72/66/573007266.db2.gz KHNFVSCTQIDHCY-MWLCHTKSSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H]1C[C@@H]1c1ccccc1O 113435755 573007277 /nfs/dbraw/zinc/00/72/77/573007277.db2.gz HPLMWABASMXOLX-CBAPKCEASA-N 0 0 148.205 2.516 10 0 AFAERN C[C@H](O)c1ccc2c(c1)SCCC2 258215981 573007309 /nfs/dbraw/zinc/00/73/09/573007309.db2.gz ZXUQIJYQQYKRHN-QMMMGPOBSA-N 0 0 194.299 2.778 10 0 AFAERN CC(C)[C@@H](C)c1ccc(NN)cc1 104552933 573007350 /nfs/dbraw/zinc/00/73/50/573007350.db2.gz DMTRDMCRGUPOJG-SECBINFHSA-N 0 0 178.279 2.732 10 0 AFAERN CC[C@@]1(C)CNc2ccc(F)cc2N1 76861300 573007366 /nfs/dbraw/zinc/00/73/66/573007366.db2.gz MTUSFXCMABKGHT-NSHDSACASA-N 0 0 194.253 2.832 10 0 AFAERN Cc1coc2cccc(CCCO)c12 258214375 573007488 /nfs/dbraw/zinc/00/74/88/573007488.db2.gz ZUZJQYOMTWHCMV-UHFFFAOYSA-N 0 0 190.242 2.666 10 0 AFAERN CC1=C2CCCC(=O)[C@@]2(C)CC1 238251647 573007552 /nfs/dbraw/zinc/00/75/52/573007552.db2.gz VMDCBUDESUMEEE-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN C[C@@H](O)Cc1ccccc1C1CCC1 258215989 573007604 /nfs/dbraw/zinc/00/76/04/573007604.db2.gz ZXWNBHKVWLLMBH-SNVBAGLBSA-N 0 0 190.286 2.877 10 0 AFAERN C=Cc1cc(C)c2c(c1C)COC2=O 113484889 573007672 /nfs/dbraw/zinc/00/76/72/573007672.db2.gz WLKORHCNWGSPHK-UHFFFAOYSA-N 0 0 188.226 2.617 10 0 AFAERN CCOC(=O)/C=C/C=C1/CCC1(C)C 308472937 573007734 /nfs/dbraw/zinc/00/77/34/573007734.db2.gz CLGPWNWAUUHERN-ZUVZAJTGSA-N 0 0 194.274 2.852 10 0 AFAERN CCNC(=O)[C@@H]1[C@H](C)CCCC1(C)C 238251208 573007771 /nfs/dbraw/zinc/00/77/71/573007771.db2.gz WWERGYRCMHPVBG-ZJUUUORDSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@@H](CC(C)(C)C)[C@@H](C)O 224333385 573007835 /nfs/dbraw/zinc/00/78/35/573007835.db2.gz UPLKLKNLXASLMZ-BDAKNGLRSA-N 0 0 158.285 2.830 10 0 AFAERN Cc1nccc2cc(C3(O)CC3)ccc12 258213363 573007838 /nfs/dbraw/zinc/00/78/38/573007838.db2.gz UGMFJSLYEOPSRE-UHFFFAOYSA-N 0 0 199.253 2.525 10 0 AFAERN CC1=C[C@@](C)(C(F)(F)F)CC[C@H]1O 238251469 573007882 /nfs/dbraw/zinc/00/78/82/573007882.db2.gz KUSPOKRVRQQRAH-SFYZADRCSA-N 0 0 194.196 2.656 10 0 AFAERN CCC[C@H](C)c1ccc(NN)cc1 104552970 573008809 /nfs/dbraw/zinc/00/88/09/573008809.db2.gz UCRQERNMLOPFFS-VIFPVBQESA-N 0 0 178.279 2.876 10 0 AFAERN CC1=C2CCCC(C)=C2[C@H](O)CC1 238251736 573007940 /nfs/dbraw/zinc/00/79/40/573007940.db2.gz FQJGKKMJLQKQMK-LLVKDONJSA-N 0 0 178.275 2.958 10 0 AFAERN CCNc1cc(Cl)c(C=O)cc1C 238251560 573007961 /nfs/dbraw/zinc/00/79/61/573007961.db2.gz LSMOELIVWKGRHN-UHFFFAOYSA-N 0 0 197.665 2.893 10 0 AFAERN Cc1coc2c(F)cccc12 113492634 573007966 /nfs/dbraw/zinc/00/79/66/573007966.db2.gz MFIQYBYSQJBWDA-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN CSCc1ccc2c(c1)NCC2 258215058 573008026 /nfs/dbraw/zinc/00/80/26/573008026.db2.gz QQWBUJRNRQEVBA-UHFFFAOYSA-N 0 0 179.288 2.518 10 0 AFAERN CCCC[C@@H]1C(=O)[C@@H]2CCC[C@@H]12 238251310 573008118 /nfs/dbraw/zinc/00/81/18/573008118.db2.gz OFCHFXAOYRDKMA-LPEHRKFASA-N 0 0 166.264 2.792 10 0 AFAERN CC1=C2CCCC[C@H]2CC[C@@H]1O 238252172 573008140 /nfs/dbraw/zinc/00/81/40/573008140.db2.gz KHNFVSCTQIDHCY-ONGXEEELSA-N 0 0 166.264 2.648 10 0 AFAERN C=C[Si]1(C)CCCCC1 196990897 573008217 /nfs/dbraw/zinc/00/82/17/573008217.db2.gz CFDHLFKYBUQNSE-UHFFFAOYSA-N 0 0 140.302 2.974 10 0 AFAERN CC1=C2CCCC[C@@H]2NC(=O)S1 238251938 573008248 /nfs/dbraw/zinc/00/82/48/573008248.db2.gz PULISVXJWHTTHR-QMMMGPOBSA-N 0 0 183.276 2.659 10 0 AFAERN CC1=C2CCC(=O)[C@@]2(C)C=CC=C1 238251545 573008284 /nfs/dbraw/zinc/00/82/84/573008284.db2.gz WGROLSLJHTTWFT-LBPRGKRZSA-N 0 0 174.243 2.798 10 0 AFAERN C[C@@H]1C[C@@H]1c1cccc(O)c1 113437728 573008385 /nfs/dbraw/zinc/00/83/85/573008385.db2.gz GROSVBFHXRUOCC-XCBNKYQSSA-N 0 0 148.205 2.516 10 0 AFAERN CCC1(CC(=O)[C@H](C)OC)CCC1 308221911 573008403 /nfs/dbraw/zinc/00/84/03/573008403.db2.gz CWZJIOQPUBQNFQ-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CCNC(=O)[C@@H]1[C@@H](C)CCCC1(C)C 238251186 573008608 /nfs/dbraw/zinc/00/86/08/573008608.db2.gz WWERGYRCMHPVBG-UWVGGRQHSA-N 0 0 197.322 2.585 10 0 AFAERN CCCC[C@@H]1C(=O)[C@@H]2CC=C[C@@H]12 238251296 573008732 /nfs/dbraw/zinc/00/87/32/573008732.db2.gz PHGUZJTZBZROOG-LPEHRKFASA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)Cc1ccc2c(C)nccc2c1 258217606 573008733 /nfs/dbraw/zinc/00/87/33/573008733.db2.gz UPKDAGWYACZAQM-UHFFFAOYSA-N 0 0 199.253 2.675 10 0 AFAERN C[C@H]1C[C@H]1c1cccc(O)c1 113437735 573008855 /nfs/dbraw/zinc/00/88/55/573008855.db2.gz GROSVBFHXRUOCC-OIBJUYFYSA-N 0 0 148.205 2.516 10 0 AFAERN CC1(C)[C@H]2c3ccccc3C(=O)[C@H]21 238251831 573008877 /nfs/dbraw/zinc/00/88/77/573008877.db2.gz QIHGGGNQKICANI-UWVGGRQHSA-N 0 0 172.227 2.623 10 0 AFAERN CC1=C2CCC(=O)C[C@]2(C)CC1 238251500 573008939 /nfs/dbraw/zinc/00/89/39/573008939.db2.gz GSRZFXGWZRXDPP-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN CC1=C2CCCC[C@@H]2C(=O)CC1 238251902 573008980 /nfs/dbraw/zinc/00/89/80/573008980.db2.gz VGUGJZPLXFDMQV-JTQLQIEISA-N 0 0 164.248 2.856 10 0 AFAERN CC1=C2CCCC[C@H]2CC[C@H]1O 238252181 573009014 /nfs/dbraw/zinc/00/90/14/573009014.db2.gz KHNFVSCTQIDHCY-GXSJLCMTSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H]1C[C@@H]1c1cccc(O)c1 113437731 573009063 /nfs/dbraw/zinc/00/90/63/573009063.db2.gz GROSVBFHXRUOCC-XVKPBYJWSA-N 0 0 148.205 2.516 10 0 AFAERN C/C=C/CCNC(=O)OC1CCCC1 308474354 573009078 /nfs/dbraw/zinc/00/90/78/573009078.db2.gz KMCJLKVTFCYJPP-NSCUHMNNSA-N 0 0 197.278 2.621 10 0 AFAERN CCC[C@@H](C)c1ccc(NN)cc1 104552964 573009110 /nfs/dbraw/zinc/00/91/10/573009110.db2.gz UCRQERNMLOPFFS-SECBINFHSA-N 0 0 178.279 2.876 10 0 AFAERN Cc1cc2ccc([C@@H](C)O)cc2o1 258218498 573009171 /nfs/dbraw/zinc/00/91/71/573009171.db2.gz VQDNPPATHSAIPQ-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN C[C@H]1C[C@H]1c1ccc(O)cc1 113443758 573009204 /nfs/dbraw/zinc/00/92/04/573009204.db2.gz SDFLDGFKYQZYSW-OIBJUYFYSA-N 0 0 148.205 2.516 10 0 AFAERN CCCC[C@@H]1C(=O)[C@@H]2CCC=C[C@@H]12 238251264 573009246 /nfs/dbraw/zinc/00/92/46/573009246.db2.gz GVXQQEQHRGTWEJ-GARJFASQSA-N 0 0 178.275 2.958 10 0 AFAERN CCCC[C@@H](C)OC(=O)C(C)(C)F 308221426 573009443 /nfs/dbraw/zinc/00/94/43/573009443.db2.gz LIDAHTGCBCGAHY-MRVPVSSYSA-N 0 0 190.258 2.856 10 0 AFAERN C[C@H]1C[C@](O)(C2=CCCCC2)CS1 235682158 573009518 /nfs/dbraw/zinc/00/95/18/573009518.db2.gz BLAZRNYAQHAOPC-GXSJLCMTSA-N 0 0 198.331 2.743 10 0 AFAERN CC1=C2CCCC(C)=C2[C@@H](O)CC1 238251729 573009681 /nfs/dbraw/zinc/00/96/81/573009681.db2.gz FQJGKKMJLQKQMK-NSHDSACASA-N 0 0 178.275 2.958 10 0 AFAERN Nc1ccc(F)c2c(Cl)nccc12 258220972 573009811 /nfs/dbraw/zinc/00/98/11/573009811.db2.gz YOERVWPMCOVXRX-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CC1(C)C[C@@H]2[C@@H]3CC[C@@H](C3=O)[C@@H]2C1 238251791 573009826 /nfs/dbraw/zinc/00/98/26/573009826.db2.gz DUCSLRNWWDDKAS-FIRGSJFUSA-N 0 0 178.275 2.648 10 0 AFAERN CC[C@@H]1CNc2ccc(Cl)cc2N1 76887679 573009880 /nfs/dbraw/zinc/00/98/80/573009880.db2.gz CGEQAAORUWYSCD-MRVPVSSYSA-N 0 0 196.681 2.956 10 0 AFAERN CC[C@H]1CNc2ccc(Cl)cc2N1 76887680 573009978 /nfs/dbraw/zinc/00/99/78/573009978.db2.gz CGEQAAORUWYSCD-QMMMGPOBSA-N 0 0 196.681 2.956 10 0 AFAERN CCCC(=O)c1ccc(NC)cc1 259309151 573010080 /nfs/dbraw/zinc/01/00/80/573010080.db2.gz WVKYSRUXSRBGGB-UHFFFAOYSA-N 0 0 177.247 2.711 10 0 AFAERN Oc1ccccc1-c1ncc(Cl)o1 258470870 573010115 /nfs/dbraw/zinc/01/01/15/573010115.db2.gz HSRBWDYRYAIGTB-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN CCCC[C@@H]1C(=O)[C@H]2CC=C[C@H]21 238251285 573010273 /nfs/dbraw/zinc/01/02/73/573010273.db2.gz PHGUZJTZBZROOG-GUBZILKMSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccccc1Oc1nccn1C 257923022 573010350 /nfs/dbraw/zinc/01/03/50/573010350.db2.gz RRCNPYPZGUKJBG-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN Cc1ccccc1-c1cc(N)n(C)c1 258217123 573010353 /nfs/dbraw/zinc/01/03/53/573010353.db2.gz XCFUVENOYUZYRV-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN Cc1cc(C=O)c(O)c(C(C)C)c1 113542420 573010426 /nfs/dbraw/zinc/01/04/26/573010426.db2.gz LYMVWUCUHYJVBS-UHFFFAOYSA-N 0 0 178.231 2.637 10 0 AFAERN C[C@H]1C[C@]1(C)CNc1cncc(F)c1 714617486 573010469 /nfs/dbraw/zinc/01/04/69/573010469.db2.gz AAZMUCYOJJLKJE-GZMMTYOYSA-N 0 0 194.253 2.679 10 0 AFAERN C[C@H]1c2ccc(O)cc2NC1(C)C 258220876 573010485 /nfs/dbraw/zinc/01/04/85/573010485.db2.gz PHCMROJGBVTLAR-ZETCQYMHSA-N 0 0 177.247 2.700 10 0 AFAERN CC1=C2CCCC[C@@H]2CC[C@@H]1O 238251917 573010561 /nfs/dbraw/zinc/01/05/61/573010561.db2.gz KHNFVSCTQIDHCY-KOLCDFICSA-N 0 0 166.264 2.648 10 0 AFAERN CC1(c2cccc(C=O)c2)CC1 113541016 573010683 /nfs/dbraw/zinc/01/06/83/573010683.db2.gz BCANABLGWTWOMM-UHFFFAOYSA-N 0 0 160.216 2.551 10 0 AFAERN CCCC[C@H](C)OC(=O)C(C)(C)F 308221430 573010750 /nfs/dbraw/zinc/01/07/50/573010750.db2.gz LIDAHTGCBCGAHY-QMMMGPOBSA-N 0 0 190.258 2.856 10 0 AFAERN Cc1ccc2[nH]c3c(N)nccc3c2c1 258217215 573010781 /nfs/dbraw/zinc/01/07/81/573010781.db2.gz YFUGGLPAKKATPC-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN Nc1cc(-c2ccccc2N)cs1 258217235 573010865 /nfs/dbraw/zinc/01/08/65/573010865.db2.gz XFCBBBHDPJTWQK-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN C[C@@H]1C[C@@]1(C)CNc1cncc(F)c1 714617503 573010839 /nfs/dbraw/zinc/01/08/39/573010839.db2.gz AAZMUCYOJJLKJE-KCJUWKMLSA-N 0 0 194.253 2.679 10 0 AFAERN CCNC(=O)[C@@]1(C)CC[C@H](C(C)C)C1 238251526 573010842 /nfs/dbraw/zinc/01/08/42/573010842.db2.gz SKGRFVLPIKJWLO-JQWIXIFHSA-N 0 0 197.322 2.585 10 0 AFAERN C[C@H](O)c1cnc(C2CCCCC2)o1 258221921 573011193 /nfs/dbraw/zinc/01/11/93/573011193.db2.gz VBWAMLNGFDPZQQ-QMMMGPOBSA-N 0 0 195.262 2.776 10 0 AFAERN CC[C@@H]1CC[C@@H](N(C)CC(F)F)C1 308474681 573010878 /nfs/dbraw/zinc/01/08/78/573010878.db2.gz LNQJVBWJCJHMFJ-RKDXNWHRSA-N 0 0 191.265 2.762 10 0 AFAERN C/C=C\CCNC(=O)OC1CCCC1 308474352 573011195 /nfs/dbraw/zinc/01/11/95/573011195.db2.gz KMCJLKVTFCYJPP-IHWYPQMZSA-N 0 0 197.278 2.621 10 0 AFAERN CC1=C2CCCC[C@H]2C(=O)CC1 238252159 573010950 /nfs/dbraw/zinc/01/09/50/573010950.db2.gz VGUGJZPLXFDMQV-SNVBAGLBSA-N 0 0 164.248 2.856 10 0 AFAERN CCCC[C@@H]1C=Cc2c(C)noc2N1 238251136 573010991 /nfs/dbraw/zinc/01/09/91/573010991.db2.gz RNBHKBXGPSASHU-SECBINFHSA-N 0 0 192.262 2.981 10 0 AFAERN CCCC1([C@@H](CC2CCC2)NN)CC1 308474702 573010995 /nfs/dbraw/zinc/01/09/95/573010995.db2.gz DCRKQKVYDIWPIV-LLVKDONJSA-N 0 0 196.338 2.589 10 0 AFAERN CC1=C2CCCC(=O)[C@]2(C)CC1 238251681 573011061 /nfs/dbraw/zinc/01/10/61/573011061.db2.gz VMDCBUDESUMEEE-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CC/C=C\COC(=O)C(C)(C)CC 308475364 573011154 /nfs/dbraw/zinc/01/11/54/573011154.db2.gz LSLAKMJIPCBQED-FPLPWBNLSA-N 0 0 184.279 2.932 10 0 AFAERN OC1CCC(c2cccs2)CC1 259309286 573011690 /nfs/dbraw/zinc/01/16/90/573011690.db2.gz QUTQMSFTZDCMDL-UHFFFAOYSA-N 0 0 182.288 2.767 10 0 AFAERN CC1=C2CCC[C@@]23CCC(=O)[C@]13C 238252527 573011716 /nfs/dbraw/zinc/01/17/16/573011716.db2.gz NTLHFFYHEWKSBX-NWDGAFQWSA-N 0 0 176.259 2.856 10 0 AFAERN CC(C)c1cc(Cl)cc(C=O)c1O 113541929 573011720 /nfs/dbraw/zinc/01/17/20/573011720.db2.gz AMZHLDMWRLPWJA-UHFFFAOYSA-N 0 0 198.649 2.982 10 0 AFAERN CC1=C2CCC[C@]23CCC(=O)[C@@]13C 238252671 573011726 /nfs/dbraw/zinc/01/17/26/573011726.db2.gz NTLHFFYHEWKSBX-NEPJUHHUSA-N 0 0 176.259 2.856 10 0 AFAERN Cc1nccc(-c2sccc2C)n1 259309192 573011754 /nfs/dbraw/zinc/01/17/54/573011754.db2.gz DIDDLMKYHGAXDN-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CC1=C2CCC[C@@]23CCC(=O)[C@@]13C 238252517 573012828 /nfs/dbraw/zinc/01/28/28/573012828.db2.gz NTLHFFYHEWKSBX-VXGBXAGGSA-N 0 0 176.259 2.856 10 0 AFAERN COc1cccc(C)c1OC(C)C 215028660 573011932 /nfs/dbraw/zinc/01/19/32/573011932.db2.gz JEPZDHNLPIUZQF-UHFFFAOYSA-N 0 0 180.247 2.791 10 0 AFAERN CCNc1ccc(C=O)c(Cl)c1 238252984 573011937 /nfs/dbraw/zinc/01/19/37/573011937.db2.gz LTBZKQNHNITXLO-UHFFFAOYSA-N 0 0 183.638 2.584 10 0 AFAERN CC[C@H]1CC[C@H](N(C)CC(F)F)C1 308474678 573011972 /nfs/dbraw/zinc/01/19/72/573011972.db2.gz LNQJVBWJCJHMFJ-IUCAKERBSA-N 0 0 191.265 2.762 10 0 AFAERN CC1=C2CCC[C@@H]2CC(=O)CC1 238252421 573011994 /nfs/dbraw/zinc/01/19/94/573011994.db2.gz FWOGTBOWLCJJKF-SECBINFHSA-N 0 0 164.248 2.856 10 0 AFAERN Cc1cc2ccc([C@H](C)O)cc2o1 258218502 573012032 /nfs/dbraw/zinc/01/20/32/573012032.db2.gz VQDNPPATHSAIPQ-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN CCCC[C@]12CCC[C@H](O)[C@H]1C2 238257090 573012134 /nfs/dbraw/zinc/01/21/34/573012134.db2.gz PAKNNRVPAKOUFA-OUAUKWLOSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ncccc1C(=O)CCCCF 308475582 573012277 /nfs/dbraw/zinc/01/22/77/573012277.db2.gz DOGNRTLIAINYMC-UHFFFAOYSA-N 0 0 195.237 2.713 10 0 AFAERN CC[C@H](CO)Cc1ccc(C)cc1C 259308381 573012283 /nfs/dbraw/zinc/01/22/83/573012283.db2.gz KJJOKXFOAGPFHN-LBPRGKRZSA-N 0 0 192.302 2.864 10 0 AFAERN COc1cc2cc(C)[nH]c2cc1F 113515886 573012394 /nfs/dbraw/zinc/01/23/94/573012394.db2.gz LHRLYVVXWSHDDI-UHFFFAOYSA-N 0 0 179.194 2.624 10 0 AFAERN C[C@@H]1c2ccc(O)cc2NC1(C)C 258220871 573012402 /nfs/dbraw/zinc/01/24/02/573012402.db2.gz PHCMROJGBVTLAR-SSDOTTSWSA-N 0 0 177.247 2.700 10 0 AFAERN CCCC1([C@H](CC2CCC2)NN)CC1 308474704 573012462 /nfs/dbraw/zinc/01/24/62/573012462.db2.gz DCRKQKVYDIWPIV-NSHDSACASA-N 0 0 196.338 2.589 10 0 AFAERN CC[C@@H]1CNc2ccc(C)cc2N1 76887677 573012536 /nfs/dbraw/zinc/01/25/36/573012536.db2.gz BAYGOXGUEOKZBS-SECBINFHSA-N 0 0 176.263 2.611 10 0 AFAERN CC[C@@H](C)SC[C@@H](O)c1ccc[nH]1 308223252 573012605 /nfs/dbraw/zinc/01/26/05/573012605.db2.gz PGOMTUBZLDFOEV-PSASIEDQSA-N 0 0 199.319 2.580 10 0 AFAERN CC/C=C\COC(=O)C[C@H](C)CC 308222854 573012615 /nfs/dbraw/zinc/01/26/15/573012615.db2.gz LZDVYSTTWVKBPP-JYESYGNLSA-N 0 0 184.279 2.932 10 0 AFAERN CCn1cc(-c2ccccc2)cc1N 258217224 573012628 /nfs/dbraw/zinc/01/26/28/573012628.db2.gz XERYAFMUDCVSLF-UHFFFAOYSA-N 0 0 186.258 2.757 10 0 AFAERN Oc1cccc([C@@H]2CC[C@H](F)C2)c1 259595451 573012685 /nfs/dbraw/zinc/01/26/85/573012685.db2.gz CWMXCVASUCGIRD-ZJUUUORDSA-N 0 0 180.222 2.998 10 0 AFAERN CC1=C2CCC[C@]23CCCC(=O)[C@H]13 238252699 573012702 /nfs/dbraw/zinc/01/27/02/573012702.db2.gz WFFUPWXIBJZPQM-RYUDHWBXSA-N 0 0 176.259 2.856 10 0 AFAERN CCC(CC)C[C@H](C)[C@H](C)O 128291496 573012729 /nfs/dbraw/zinc/01/27/29/573012729.db2.gz DQXLDVRKTTYAQC-IUCAKERBSA-N 0 0 158.285 2.830 10 0 AFAERN C[C@@H](O)c1cnc(C2CCCCC2)o1 258221918 573012972 /nfs/dbraw/zinc/01/29/72/573012972.db2.gz VBWAMLNGFDPZQQ-MRVPVSSYSA-N 0 0 195.262 2.776 10 0 AFAERN CC1=C[C@]2(C)C(=O)CC[C@@H]2CC1 238252515 573012976 /nfs/dbraw/zinc/01/29/76/573012976.db2.gz LMNQJRBJVNCIEX-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN CCC(CC)C[C@@H](C)[C@H](C)O 128291249 573013046 /nfs/dbraw/zinc/01/30/46/573013046.db2.gz DQXLDVRKTTYAQC-BDAKNGLRSA-N 0 0 158.285 2.830 10 0 AFAERN CC/C=C(\CCC)C(=O)OC1CC1 308222834 573013207 /nfs/dbraw/zinc/01/32/07/573013207.db2.gz LYMFHKLMIZCTMO-WEVVVXLNSA-N 0 0 182.263 2.829 10 0 AFAERN CC[C@@H]1CC[C@H](N(C)CC(F)F)C1 308474662 573013310 /nfs/dbraw/zinc/01/33/10/573013310.db2.gz LNQJVBWJCJHMFJ-BDAKNGLRSA-N 0 0 191.265 2.762 10 0 AFAERN CC/C=C/COC(=O)C(C)(C)CC 308475358 573013384 /nfs/dbraw/zinc/01/33/84/573013384.db2.gz LSLAKMJIPCBQED-BQYQJAHWSA-N 0 0 184.279 2.932 10 0 AFAERN CC1=C2CC[C@@H]2C(C)(C)C(=O)C1 238252820 573013567 /nfs/dbraw/zinc/01/35/67/573013567.db2.gz KSGBWCINKRYAQU-VIFPVBQESA-N 0 0 164.248 2.712 10 0 AFAERN Oc1cccc([C@H]2CC[C@H](F)C2)c1 259595422 573013678 /nfs/dbraw/zinc/01/36/78/573013678.db2.gz CWMXCVASUCGIRD-UWVGGRQHSA-N 0 0 180.222 2.998 10 0 AFAERN C[C@H]1C[C@@]1(C)CNc1cncc(F)c1 714617506 573013685 /nfs/dbraw/zinc/01/36/85/573013685.db2.gz AAZMUCYOJJLKJE-KWQFWETISA-N 0 0 194.253 2.679 10 0 AFAERN CCCCC(=O)c1csc(OC)n1 308224318 573013695 /nfs/dbraw/zinc/01/36/95/573013695.db2.gz PWEKQMDEGSVUMI-UHFFFAOYSA-N 0 0 199.275 2.525 10 0 AFAERN C=Cc1cccc(Cl)c1O 113620494 573013748 /nfs/dbraw/zinc/01/37/48/573013748.db2.gz NRGHMGCNANJTJA-UHFFFAOYSA-N 0 0 154.596 2.689 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)C1CCC1 224401680 573013824 /nfs/dbraw/zinc/01/38/24/573013824.db2.gz NSQMIYRPAPACTD-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C[C@]1(C)CNc1cncc(F)c1 714617532 573013987 /nfs/dbraw/zinc/01/39/87/573013987.db2.gz AAZMUCYOJJLKJE-LDYMZIIASA-N 0 0 194.253 2.679 10 0 AFAERN CC1=C2CCC[C@]23CCC(=O)[C@]13C 238252679 573014019 /nfs/dbraw/zinc/01/40/19/573014019.db2.gz NTLHFFYHEWKSBX-RYUDHWBXSA-N 0 0 176.259 2.856 10 0 AFAERN CCOc1cccc2cc(C=O)oc12 82390644 573014673 /nfs/dbraw/zinc/01/46/73/573014673.db2.gz NSRQWNMRNYKNNP-UHFFFAOYSA-N 0 0 190.198 2.644 10 0 AFAERN CC1=C[C@]2(C)C(=O)CC[C@H]2CC1 238252526 573014713 /nfs/dbraw/zinc/01/47/13/573014713.db2.gz LMNQJRBJVNCIEX-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN O[C@@H](c1ccco1)C(C1CC1)C1CC1 308475884 573014757 /nfs/dbraw/zinc/01/47/57/573014757.db2.gz KZPMLTMFOHXMKB-LBPRGKRZSA-N 0 0 192.258 2.749 10 0 AFAERN CC[C@@H](C)c1ccccc1CO 113651306 573014798 /nfs/dbraw/zinc/01/47/98/573014798.db2.gz VOHVVQCVGUIASS-SECBINFHSA-N 0 0 164.248 2.692 10 0 AFAERN Nc1ccc(F)cc1CC1CCC1 257924812 573014815 /nfs/dbraw/zinc/01/48/15/573014815.db2.gz RZEOAMZJDIBMOG-UHFFFAOYSA-N 0 0 179.238 2.751 10 0 AFAERN CC(=O)O[C@H](C)CCCC(F)(F)F 308223003 573014833 /nfs/dbraw/zinc/01/48/33/573014833.db2.gz CVSFCEBQOCXVAK-ZCFIWIBFSA-N 0 0 198.184 2.671 10 0 AFAERN Cc1[nH]c(-c2cccs2)cc1CO 259312161 573014884 /nfs/dbraw/zinc/01/48/84/573014884.db2.gz SVXCJWSVVCJBNO-UHFFFAOYSA-N 0 0 193.271 2.544 10 0 AFAERN CC1=C[C@H](C(C)(C)C)CC[C@@H]1CO 238253018 573015013 /nfs/dbraw/zinc/01/50/13/573015013.db2.gz QEFOBZCVUFNALZ-GHMZBOCLSA-N 0 0 182.307 2.997 10 0 AFAERN CC1=C[C@H](C/C(C)=C/CO)SCC1 238253308 573015039 /nfs/dbraw/zinc/01/50/39/573015039.db2.gz LQXNDEKAIYDGJC-BWLWAFFFSA-N 0 0 198.331 2.767 10 0 AFAERN CCCC[C@@H](C)OC(=O)CC1CC1 308223389 573015264 /nfs/dbraw/zinc/01/52/64/573015264.db2.gz MDPJNXZIRWRKLZ-SECBINFHSA-N 0 0 184.279 2.908 10 0 AFAERN Oc1ccc([C@@H]2CC[C@@H](F)C2)cc1 259595479 573015516 /nfs/dbraw/zinc/01/55/16/573015516.db2.gz CWPORNXUACGIHZ-NXEZZACHSA-N 0 0 180.222 2.998 10 0 AFAERN CC(=O)O[C@@H](C)CCCC(F)(F)F 308223002 573015639 /nfs/dbraw/zinc/01/56/39/573015639.db2.gz CVSFCEBQOCXVAK-LURJTMIESA-N 0 0 198.184 2.671 10 0 AFAERN CC[C@H](C)SC[C@H](O)c1ccc[nH]1 308223261 573016174 /nfs/dbraw/zinc/01/61/74/573016174.db2.gz PGOMTUBZLDFOEV-WPRPVWTQSA-N 0 0 199.319 2.580 10 0 AFAERN CC(C)[NH2+]Cc1ncc(C2CC2)s1 308223809 573015653 /nfs/dbraw/zinc/01/56/53/573015653.db2.gz PPNNWIQEMGUVDD-UHFFFAOYSA-N 0 0 196.319 2.519 10 0 AFAERN CCC/C=C/C(=O)OC[C@@H]1C[C@H]1C 308223799 573015717 /nfs/dbraw/zinc/01/57/17/573015717.db2.gz MGDWQLQOIYPHCH-ROSGPLSXSA-N 0 0 182.263 2.542 10 0 AFAERN CCCC(F)(F)[C@H]1CCCCN1 257924711 573015728 /nfs/dbraw/zinc/01/57/28/573015728.db2.gz RYKIYMXTPDTONQ-MRVPVSSYSA-N 0 0 177.238 2.564 10 0 AFAERN CC1=C2CCC[C@@]23CCCC(=O)[C@H]13 238252553 573015806 /nfs/dbraw/zinc/01/58/06/573015806.db2.gz WFFUPWXIBJZPQM-NWDGAFQWSA-N 0 0 176.259 2.856 10 0 AFAERN CC/C=C(/CCC)C(=O)OC1CC1 308222833 573015841 /nfs/dbraw/zinc/01/58/41/573015841.db2.gz LYMFHKLMIZCTMO-UITAMQMPSA-N 0 0 182.263 2.829 10 0 AFAERN CC1=C[C@H](CCO)[C@H]2[C@@H](C1)C2(C)C 238253406 573015845 /nfs/dbraw/zinc/01/58/45/573015845.db2.gz FIEVOKAWAOWODN-AXFHLTTASA-N 0 0 180.291 2.607 10 0 AFAERN CCCC(F)(F)[C@@H]1CCCCN1 257924715 573015887 /nfs/dbraw/zinc/01/58/87/573015887.db2.gz RYKIYMXTPDTONQ-QMMMGPOBSA-N 0 0 177.238 2.564 10 0 AFAERN CCC/C=C\C(=O)OC[C@@H]1C[C@H]1C 308223793 573015925 /nfs/dbraw/zinc/01/59/25/573015925.db2.gz MGDWQLQOIYPHCH-LZCWPNQWSA-N 0 0 182.263 2.542 10 0 AFAERN CCCC[C@H](C)[C@@H](O)C1CCC1 224401735 573015951 /nfs/dbraw/zinc/01/59/51/573015951.db2.gz NSQMIYRPAPACTD-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC1=C[C@H](C(C)(C)CO)CCC1 238253054 573015952 /nfs/dbraw/zinc/01/59/52/573015952.db2.gz ZNYGJDDLBAKADE-SNVBAGLBSA-N 0 0 168.280 2.751 10 0 AFAERN CCC[C@@H](C)Nc1[nH+]cc(C)cc1N 85425157 573015999 /nfs/dbraw/zinc/01/59/99/573015999.db2.gz CXAJHCLXVWSOEX-SECBINFHSA-N 0 0 193.294 2.573 10 0 AFAERN CC1=C[C@H](C(C)(C)C)C(=O)C1 238252997 573016015 /nfs/dbraw/zinc/01/60/15/573016015.db2.gz XKFLKIOVDCPQHF-QMMMGPOBSA-N 0 0 152.237 2.568 10 0 AFAERN CCOC(=O)[C@@H](C)c1ccc(C)s1 257923504 573016042 /nfs/dbraw/zinc/01/60/42/573016042.db2.gz YLZPFUYZFXUUHP-QMMMGPOBSA-N 0 0 198.287 2.723 10 0 AFAERN CC1=C2CCC[C@H]2CC(=O)CC1 238252603 573016106 /nfs/dbraw/zinc/01/61/06/573016106.db2.gz FWOGTBOWLCJJKF-VIFPVBQESA-N 0 0 164.248 2.856 10 0 AFAERN CC1=C2CC[C@H]2C(C)(C)C(=O)C1 238252903 573016109 /nfs/dbraw/zinc/01/61/09/573016109.db2.gz KSGBWCINKRYAQU-SECBINFHSA-N 0 0 164.248 2.712 10 0 AFAERN Nc1cccc(-c2ccsc2N)c1 258226170 573016130 /nfs/dbraw/zinc/01/61/30/573016130.db2.gz YDBJYUWWQYPQSD-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CC1=C[C@H](C(C)(C)C)CC[C@H]1CO 238253033 573016146 /nfs/dbraw/zinc/01/61/46/573016146.db2.gz QEFOBZCVUFNALZ-WDEREUQCSA-N 0 0 182.307 2.997 10 0 AFAERN C[C@H](OC(=O)c1ccsc1)C1CC1 308223669 573016148 /nfs/dbraw/zinc/01/61/48/573016148.db2.gz DAXRUSVSTHWMRB-ZETCQYMHSA-N 0 0 196.271 2.703 10 0 AFAERN CC/C=C/COC(=O)C[C@H](C)CC 308222856 573016374 /nfs/dbraw/zinc/01/63/74/573016374.db2.gz LZDVYSTTWVKBPP-VQCYPWCPSA-N 0 0 184.279 2.932 10 0 AFAERN CC[C@H](C)c1ccccc1CO 113651308 573016376 /nfs/dbraw/zinc/01/63/76/573016376.db2.gz VOHVVQCVGUIASS-VIFPVBQESA-N 0 0 164.248 2.692 10 0 AFAERN Cc1cc2nccn2c2ccc(O)cc12 258226015 573016513 /nfs/dbraw/zinc/01/65/13/573016513.db2.gz YYJQIRVTAHKFTB-UHFFFAOYSA-N 0 0 198.225 2.502 10 0 AFAERN O[C@H](c1ccco1)C(C1CC1)C1CC1 308475882 573016517 /nfs/dbraw/zinc/01/65/17/573016517.db2.gz KZPMLTMFOHXMKB-GFCCVEGCSA-N 0 0 192.258 2.749 10 0 AFAERN CC(C)CCc1cc(O)ccc1N 257923521 573016619 /nfs/dbraw/zinc/01/66/19/573016619.db2.gz RTDOEYIPEUPUNJ-UHFFFAOYSA-N 0 0 179.263 2.563 10 0 AFAERN C=CC1=CC[C@H](Cc2c[nH]cn2)CC1 113611194 573016684 /nfs/dbraw/zinc/01/66/84/573016684.db2.gz PCNCQZTXYXHOFO-NSHDSACASA-N 0 0 188.274 2.865 10 0 AFAERN CC(C)(C)c1ncc(N)cc1Cl 257924701 573016686 /nfs/dbraw/zinc/01/66/86/573016686.db2.gz RYHLRBCEVQNIDB-UHFFFAOYSA-N 0 0 184.670 2.615 10 0 AFAERN CCC/C=C/C(=O)OC[C@@H]1C[C@@H]1C 308223795 573016821 /nfs/dbraw/zinc/01/68/21/573016821.db2.gz MGDWQLQOIYPHCH-QEBMPYFUSA-N 0 0 182.263 2.542 10 0 AFAERN CCC/C=C\C(=O)OC[C@@H]1C[C@@H]1C 308223797 573017188 /nfs/dbraw/zinc/01/71/88/573017188.db2.gz MGDWQLQOIYPHCH-QEJZFVATSA-N 0 0 182.263 2.542 10 0 AFAERN Nc1ccccc1OCCCCCF 308475988 573016875 /nfs/dbraw/zinc/01/68/75/573016875.db2.gz LDEWIVIBTNFCEI-UHFFFAOYSA-N 0 0 197.253 2.787 10 0 AFAERN CC1=C[C@H](CO)CC[C@H]1C(C)(C)C 238253440 573016904 /nfs/dbraw/zinc/01/69/04/573016904.db2.gz ZFKGZVUNLUONCR-GHMZBOCLSA-N 0 0 182.307 2.997 10 0 AFAERN CC/C=C/C(=O)NCCCC(C)C 308223838 573016909 /nfs/dbraw/zinc/01/69/09/573016909.db2.gz MHBFJGOYXOWLFA-VMPITWQZSA-N 0 0 183.295 2.505 10 0 AFAERN CC1(C)C[C@]2(C)CCCC(=O)[C@@H]12 238253794 573016954 /nfs/dbraw/zinc/01/69/54/573016954.db2.gz GXVPLICMIIYEMM-ONGXEEELSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H](c1ccoc1)N(C)CC(F)F 308224166 573017289 /nfs/dbraw/zinc/01/72/89/573017289.db2.gz DJCLEDRGSHYSOA-SSDOTTSWSA-N 0 0 189.205 2.538 10 0 AFAERN CC(C)/C=C\C(=O)O[C@@H](C)C(C)C 213911751 573016993 /nfs/dbraw/zinc/01/69/93/573016993.db2.gz AUJOCFRLGFWTEC-GFVADAIESA-N 0 0 184.279 2.786 10 0 AFAERN CC1(C)C[C@]12C[C@]1(CC1(C)C)C2=O 238253590 573017038 /nfs/dbraw/zinc/01/70/38/573017038.db2.gz GWTVMTZDGCJNPF-VXGBXAGGSA-N 0 0 178.275 2.792 10 0 AFAERN Cc1cc(CNOC(C)(C)C)cs1 308223814 573017060 /nfs/dbraw/zinc/01/70/60/573017060.db2.gz PPONLMWEHHBZIV-UHFFFAOYSA-N 0 0 199.319 2.876 10 0 AFAERN COC(C)(C)C(=O)CC1(C)CCCC1 308480053 573017109 /nfs/dbraw/zinc/01/71/09/573017109.db2.gz GNEXKXXJSVNJDJ-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)/C=C\C(=O)O[C@H](C)C(C)C 213911806 573017119 /nfs/dbraw/zinc/01/71/19/573017119.db2.gz AUJOCFRLGFWTEC-JYESYGNLSA-N 0 0 184.279 2.786 10 0 AFAERN CC1=C[C@H](CO)CC[C@@H]1C(C)(C)C 238253432 573017128 /nfs/dbraw/zinc/01/71/28/573017128.db2.gz ZFKGZVUNLUONCR-MNOVXSKESA-N 0 0 182.307 2.997 10 0 AFAERN CC/C=C\COC(=O)C[C@@H](C)CC 308222853 573017183 /nfs/dbraw/zinc/01/71/83/573017183.db2.gz LZDVYSTTWVKBPP-GFVADAIESA-N 0 0 184.279 2.932 10 0 AFAERN Nc1ccc(-c2cccc(O)c2)s1 258223337 573017681 /nfs/dbraw/zinc/01/76/81/573017681.db2.gz XPHJBEIBIHLPAO-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN Oc1ccc([C@@H]2CC[C@H](F)C2)cc1 259595548 573018106 /nfs/dbraw/zinc/01/81/06/573018106.db2.gz CWPORNXUACGIHZ-ZJUUUORDSA-N 0 0 180.222 2.998 10 0 AFAERN Cc1ccc(-c2ccn(C)c2N)cc1 258223521 573017875 /nfs/dbraw/zinc/01/78/75/573017875.db2.gz XUKLQHQUCAGRFM-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN Nc1cccc(-c2csc(N)c2)c1 258223606 573017840 /nfs/dbraw/zinc/01/78/40/573017840.db2.gz XWIIINQFXQJNNS-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN C=C/C=C/[C@H]1CCCC(C)=C[C@@H]1O 238254113 573017853 /nfs/dbraw/zinc/01/78/53/573017853.db2.gz HXXCDINAYRXOIM-XTPCBIOYSA-N 0 0 178.275 2.836 10 0 AFAERN Cc1cnccc1-c1ccc(C=O)cc1 85424592 573017922 /nfs/dbraw/zinc/01/79/22/573017922.db2.gz MNORSYMRYABWPF-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN OCc1coc(Oc2ccccc2)c1 113653920 573017979 /nfs/dbraw/zinc/01/79/79/573017979.db2.gz QGERDKGTRNRKSQ-UHFFFAOYSA-N 0 0 190.198 2.564 10 0 AFAERN CCCC(C)(C)CC(=O)OCCF 308227199 573018052 /nfs/dbraw/zinc/01/80/52/573018052.db2.gz NISSWPKRXDQWAM-UHFFFAOYSA-N 0 0 190.258 2.716 10 0 AFAERN CCc1cc(C)cc(F)c1 141703897 573018168 /nfs/dbraw/zinc/01/81/68/573018168.db2.gz SANMLBOHAXBMMS-UHFFFAOYSA-N 0 0 138.185 2.697 10 0 AFAERN CC(C)[C@H](C)C(=O)OCCC1CC1 308226675 573018983 /nfs/dbraw/zinc/01/89/83/573018983.db2.gz DZSIHWOEEXHPSD-VIFPVBQESA-N 0 0 184.279 2.622 10 0 AFAERN CCCc1nc2ccccc2n1N=O 238253912 573018358 /nfs/dbraw/zinc/01/83/58/573018358.db2.gz WZBASKLDDBPYGZ-UHFFFAOYSA-N 0 0 189.218 2.518 10 0 AFAERN COCCCC[C@@H](O)CC(C)(C)C 308226575 573018469 /nfs/dbraw/zinc/01/84/69/573018469.db2.gz QZSGPLGMZYDMBK-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN CCNc1ccc(O)cc1C(C)C 238253931 573018484 /nfs/dbraw/zinc/01/84/84/573018484.db2.gz ZHALZFNEIXOUSC-UHFFFAOYSA-N 0 0 179.263 2.947 10 0 AFAERN CCOC(=O)c1cc(C)c(C)c(C)c1 238254182 573018510 /nfs/dbraw/zinc/01/85/10/573018510.db2.gz KPJDFDDXGVPHRI-UHFFFAOYSA-N 0 0 192.258 2.789 10 0 AFAERN CC1=C[C@H](O)Sc2ccc(C)cc21 238253991 573018583 /nfs/dbraw/zinc/01/85/83/573018583.db2.gz BWFIXMLNWBXYTG-LLVKDONJSA-N 0 0 192.283 2.822 10 0 AFAERN NNc1cccc2cc(Cl)ccc12 104571167 573019008 /nfs/dbraw/zinc/01/90/08/573019008.db2.gz IZAWZUUVAHKFRI-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CC1(C)C[C@]2(C)CCCC(=O)[C@H]12 238253805 573018850 /nfs/dbraw/zinc/01/88/50/573018850.db2.gz GXVPLICMIIYEMM-KOLCDFICSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cccc(SC(F)F)c1N 82389978 573018880 /nfs/dbraw/zinc/01/88/80/573018880.db2.gz VKFDVZQZAKVDFY-UHFFFAOYSA-N 0 0 189.230 2.892 10 0 AFAERN CCc1sc(N)nc1C(C)(C)C 113593818 573019630 /nfs/dbraw/zinc/01/96/30/573019630.db2.gz YVXVRUIBYGUGFA-UHFFFAOYSA-N 0 0 184.308 2.585 10 0 AFAERN Oc1ccc([C@H]2CC[C@@H](F)C2)cc1 259595527 573019487 /nfs/dbraw/zinc/01/94/87/573019487.db2.gz CWPORNXUACGIHZ-VHSXEESVSA-N 0 0 180.222 2.998 10 0 AFAERN CC(C)Cc1ncc(O)cc1Cl 113663478 573019502 /nfs/dbraw/zinc/01/95/02/573019502.db2.gz FIEYLLFIOFANSF-UHFFFAOYSA-N 0 0 185.654 2.639 10 0 AFAERN CCc1ccc2c(c1)-c1n[nH]cc1CN2 82383736 573019766 /nfs/dbraw/zinc/01/97/66/573019766.db2.gz ZPOLORTVVMWYEQ-UHFFFAOYSA-N 0 0 199.257 2.565 10 0 AFAERN O=Cc1nc2cccc(Cl)c2s1 82384748 573020076 /nfs/dbraw/zinc/02/00/76/573020076.db2.gz FESVJGKHTPEVGR-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN CC(C)=Cc1ccccc1N 104567213 573020194 /nfs/dbraw/zinc/02/01/94/573020194.db2.gz HEBSEFIZTCUELK-UHFFFAOYSA-N 0 0 147.221 2.692 10 0 AFAERN CC1=C[C@H](O)Sc2ccccc21 238254001 573020199 /nfs/dbraw/zinc/02/01/99/573020199.db2.gz NIFIFNLGUFJMLJ-SNVBAGLBSA-N 0 0 178.256 2.514 10 0 AFAERN COC1(C(=O)[C@@H](C)CC(C)C)CCC1 308484669 573020288 /nfs/dbraw/zinc/02/02/88/573020288.db2.gz OHZABKOBOZHTSA-JTQLQIEISA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cc(OCOC(C)C)ccc1F 308483710 573020298 /nfs/dbraw/zinc/02/02/98/573020298.db2.gz IETZQGTUKOHJHI-UHFFFAOYSA-N 0 0 198.237 2.895 10 0 AFAERN CCNc1ccc(N)c2ccccc12 238253664 573020360 /nfs/dbraw/zinc/02/03/60/573020360.db2.gz NSXJYRGSMZXIFS-UHFFFAOYSA-N 0 0 186.258 2.854 10 0 AFAERN CC1=C[C@H](O)CCC12CCCC2 238253830 573020746 /nfs/dbraw/zinc/02/07/46/573020746.db2.gz RNQFQCCYSFFLTR-SNVBAGLBSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cnccc1-c1cccc(C=O)c1 85424601 573020649 /nfs/dbraw/zinc/02/06/49/573020649.db2.gz QGLHFMWPPFAEPB-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1cnccc1-c1ccccc1C=O 85424594 573020701 /nfs/dbraw/zinc/02/07/01/573020701.db2.gz PKPGRYVVTWDVDC-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCOC(=O)c1c(C(C)C)coc1C 259595530 573020726 /nfs/dbraw/zinc/02/07/26/573020726.db2.gz CJFCXNFGDKUZMY-UHFFFAOYSA-N 0 0 196.246 2.888 10 0 AFAERN C[C@@H]1C=C[C@@H]2CCCCC(=O)[C@@H]2C1 141709782 573020728 /nfs/dbraw/zinc/02/07/28/573020728.db2.gz WYQKPFXZDLTJMZ-OUAUKWLOSA-N 0 0 178.275 2.958 10 0 AFAERN CCCO[P@@](=O)(CC)CC=O 238254203 573020737 /nfs/dbraw/zinc/02/07/37/573020737.db2.gz CAWCFULHQXXJIN-ZRQQLDRUSA-N 0 0 178.168 2.740 10 0 AFAERN CCOc1nc2cc(Cl)ccc2o1 238257189 573021000 /nfs/dbraw/zinc/02/10/00/573021000.db2.gz YBCQRRBECDWYIB-UHFFFAOYSA-N 0 0 197.621 2.880 10 0 AFAERN CCCc1nc2ccccc2cc1N 238253899 573021016 /nfs/dbraw/zinc/02/10/16/573021016.db2.gz QSBIOUIJZUAGKP-UHFFFAOYSA-N 0 0 186.258 2.770 10 0 AFAERN CCc1nc(Cl)c2n1[C@@H](C)CCC2 258229256 573021201 /nfs/dbraw/zinc/02/12/01/573021201.db2.gz KVUMVGALDWNQCX-ZETCQYMHSA-N 0 0 198.697 2.996 10 0 AFAERN O=C1CC=C(C2=CCC(=O)S2)S1 141715485 573021212 /nfs/dbraw/zinc/02/12/12/573021212.db2.gz SKIOWVANSHIUQP-UHFFFAOYSA-N 0 0 198.268 2.888 10 0 AFAERN Cc1ccc(C)n1[C@@]1(C)CCO[C@@H]1C 235687939 573021453 /nfs/dbraw/zinc/02/14/53/573021453.db2.gz WDRDQEHIONVYKS-NEPJUHHUSA-N 0 0 193.290 2.629 10 0 AFAERN Cc1ccc(SC=O)cc1C 259313376 573021621 /nfs/dbraw/zinc/02/16/21/573021621.db2.gz VNKBTXLWKQNZLL-UHFFFAOYSA-N 0 0 166.245 2.586 10 0 AFAERN CCOC(=O)N1C[C@@H](CC)CC[C@H]1C 308484724 573021725 /nfs/dbraw/zinc/02/17/25/573021725.db2.gz OIYGJWIPGYSDGV-ZJUUUORDSA-N 0 0 199.294 2.653 10 0 AFAERN CNSc1ccc(Cl)c(C)c1 259313361 573021771 /nfs/dbraw/zinc/02/17/71/573021771.db2.gz VNDHVSYAJXQGSC-UHFFFAOYSA-N 0 0 187.695 2.875 10 0 AFAERN CCC(C)(C)Oc1ncc(C)cc1N 85426415 573022026 /nfs/dbraw/zinc/02/20/26/573022026.db2.gz HFGCTMXUQYMMSU-UHFFFAOYSA-N 0 0 194.278 2.540 10 0 AFAERN CCCC[C@H](O)[C@@H](CCCC)OC 308232324 573022082 /nfs/dbraw/zinc/02/20/82/573022082.db2.gz UBFPJYOXVCQGPN-WDEREUQCSA-N 0 0 188.311 2.743 10 0 AFAERN CCCO[P@](=O)(CC)CC=O 238254408 573022214 /nfs/dbraw/zinc/02/22/14/573022214.db2.gz CAWCFULHQXXJIN-OKPNEXGHSA-N 0 0 178.168 2.740 10 0 AFAERN CC[C@@H](C)Sc1ncc(C)cc1N 85426625 573022231 /nfs/dbraw/zinc/02/22/31/573022231.db2.gz BMSHPQUXGSEONG-MRVPVSSYSA-N 0 0 196.319 2.863 10 0 AFAERN CCOC(=O)N1C[C@H](CC)CC[C@@H]1C 308484721 573022349 /nfs/dbraw/zinc/02/23/49/573022349.db2.gz OIYGJWIPGYSDGV-VHSXEESVSA-N 0 0 199.294 2.653 10 0 AFAERN CCNc1ccc([C@H](C)C(C)=O)cc1 238254331 573022435 /nfs/dbraw/zinc/02/24/35/573022435.db2.gz JPTGHMPWUADPJB-SECBINFHSA-N 0 0 191.274 2.811 10 0 AFAERN CCCC1Oc2cc(O)ccc2C1=O 238255349 573022461 /nfs/dbraw/zinc/02/24/61/573022461.db2.gz RWZKLWUDGCHXJT-UHFFFAOYSA-N 0 0 192.214 2.797 10 0 AFAERN CCNC(=O)[C@]1(C)CC[C@H](C(C)C)C1 238255790 573022499 /nfs/dbraw/zinc/02/24/99/573022499.db2.gz SKGRFVLPIKJWLO-CMPLNLGQSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@H](C)CCOc1cc[nH]c(=O)c1 393655435 573022560 /nfs/dbraw/zinc/02/25/60/573022560.db2.gz HSTNXJRSDTZMAO-VIFPVBQESA-N 0 0 195.262 2.602 10 0 AFAERN CCc1ccccc1CCC(C)=O 82398662 573022585 /nfs/dbraw/zinc/02/25/85/573022585.db2.gz IEAYFMMXPDGQSK-UHFFFAOYSA-N 0 0 176.259 2.771 10 0 AFAERN CC[C@H](C)[C@@](C)(O)c1cnccc1C 85440146 573022725 /nfs/dbraw/zinc/02/27/25/573022725.db2.gz LKRONWPKGCEHIE-CMPLNLGQSA-N 0 0 193.290 2.644 10 0 AFAERN CCOc1ccccc1NC(C)=S 238255805 573022776 /nfs/dbraw/zinc/02/27/76/573022776.db2.gz ICAMYXRWIFWZKS-UHFFFAOYSA-N 0 0 195.287 2.845 10 0 AFAERN Cc1cnc(SCC(C)C)c(N)c1 85426644 573022789 /nfs/dbraw/zinc/02/27/89/573022789.db2.gz YZENKLUMSCFUDS-UHFFFAOYSA-N 0 0 196.319 2.720 10 0 AFAERN C[C@H]1CCCc2cc(C=O)ccc21 113684468 573022791 /nfs/dbraw/zinc/02/27/91/573022791.db2.gz QDPRAKWHYBQXGD-VIFPVBQESA-N 0 0 174.243 2.939 10 0 AFAERN C[C@@H]1CCNc2c(F)cc(F)cc2N1 123455952 573022845 /nfs/dbraw/zinc/02/28/45/573022845.db2.gz RLQYFSXAEJYMLK-ZCFIWIBFSA-N 0 0 198.216 2.581 10 0 AFAERN CC(C)(C)Cc1cscc1N 82401240 573022923 /nfs/dbraw/zinc/02/29/23/573022923.db2.gz ALFNYAMLOJZNFY-UHFFFAOYSA-N 0 0 169.293 2.919 10 0 AFAERN CC(C)=CCc1ccccc1CO 113701226 573022933 /nfs/dbraw/zinc/02/29/33/573022933.db2.gz CNDQKVRUYBAFTR-UHFFFAOYSA-N 0 0 176.259 2.688 10 0 AFAERN Cc1ccncc1[C@@H](O)C1CCCC1 85440347 573022996 /nfs/dbraw/zinc/02/29/96/573022996.db2.gz NMKRCVAUPSYQAO-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN CCNc1ccc2c(c1)[C@@H](O)C[C@H]2C 113685721 573023867 /nfs/dbraw/zinc/02/38/67/573023867.db2.gz IKBJTBFUGMLBEB-PELKAZGASA-N 0 0 191.274 2.659 10 0 AFAERN C=C/C=C/[C@@H]1CCCC(C)=C[C@@H]1O 238254287 573023882 /nfs/dbraw/zinc/02/38/82/573023882.db2.gz HXXCDINAYRXOIM-SQMDOARZSA-N 0 0 178.275 2.836 10 0 AFAERN CCNc1ccc([C@@H](C)C(C)=O)cc1 238254317 573023964 /nfs/dbraw/zinc/02/39/64/573023964.db2.gz JPTGHMPWUADPJB-VIFPVBQESA-N 0 0 191.274 2.811 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)c1cnccc1C 85440143 573024052 /nfs/dbraw/zinc/02/40/52/573024052.db2.gz LKRONWPKGCEHIE-ZYHUDNBSSA-N 0 0 193.290 2.644 10 0 AFAERN CC[C@H](C)Sc1ncc(C)cc1N 85426627 573024293 /nfs/dbraw/zinc/02/42/93/573024293.db2.gz BMSHPQUXGSEONG-QMMMGPOBSA-N 0 0 196.319 2.863 10 0 AFAERN Oc1cnc(C2CC2)c(C2CC2)c1 113678743 573024435 /nfs/dbraw/zinc/02/44/35/573024435.db2.gz UCBMFOVAYNQARD-UHFFFAOYSA-N 0 0 175.231 2.542 10 0 AFAERN c1c[nH]c(-c2n[nH]c3ccccc23)c1 113700363 573024519 /nfs/dbraw/zinc/02/45/19/573024519.db2.gz SNFQMYKPIRCYTJ-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN CCC1(C(=O)Cc2ccccc2)CC1 308477213 573024486 /nfs/dbraw/zinc/02/44/86/573024486.db2.gz FFJODAOEJSZGNX-UHFFFAOYSA-N 0 0 188.270 2.988 10 0 AFAERN CCCC[C@@]12CC(=O)CC[C@@H]1C2 238257254 573024487 /nfs/dbraw/zinc/02/44/87/573024487.db2.gz LSDPCNZMJPZERN-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN CCC(=O)C[C@@H]1CC[C@](C)(O)C1(C)C 113685543 573024533 /nfs/dbraw/zinc/02/45/33/573024533.db2.gz COQPXBJIRFFBKP-CABZTGNLSA-N 0 0 198.306 2.543 10 0 AFAERN CCC(=O)C[C@H]1CC[C@@](C)(O)C1(C)C 113685540 573025256 /nfs/dbraw/zinc/02/52/56/573025256.db2.gz COQPXBJIRFFBKP-BXKDBHETSA-N 0 0 198.306 2.543 10 0 AFAERN CC/C=C\COC(=O)/C(C)=C\CC 308478213 573025380 /nfs/dbraw/zinc/02/53/80/573025380.db2.gz MOJDBTZDGUIWHD-INZNQPOWSA-N 0 0 182.263 2.852 10 0 AFAERN CCNc1ccc2c(c1)[C@H](O)C[C@H]2C 113685719 573025675 /nfs/dbraw/zinc/02/56/75/573025675.db2.gz IKBJTBFUGMLBEB-PRHODGIISA-N 0 0 191.274 2.659 10 0 AFAERN Cc1cc2c(F)c(C)ccc2[nH]1 113680552 573025437 /nfs/dbraw/zinc/02/54/37/573025437.db2.gz KSGYTFGKRZVVFK-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN CCC(=O)c1ccccc1OC1CC1 308478498 573025498 /nfs/dbraw/zinc/02/54/98/573025498.db2.gz LNPVRKMGJSTUTI-UHFFFAOYSA-N 0 0 190.242 2.821 10 0 AFAERN CCNc1ccc2c(c1)[C@H](O)C[C@@H]2C 113685713 573025563 /nfs/dbraw/zinc/02/55/63/573025563.db2.gz IKBJTBFUGMLBEB-QPUJVOFHSA-N 0 0 191.274 2.659 10 0 AFAERN Cc1occc1-c1ccc(C=O)o1 82398939 573025568 /nfs/dbraw/zinc/02/55/68/573025568.db2.gz FGNZQARNZMSCCB-UHFFFAOYSA-N 0 0 176.171 2.661 10 0 AFAERN CC1=CC=C2CCC(=O)[C@]2(C)C=C1 238257269 573025576 /nfs/dbraw/zinc/02/55/76/573025576.db2.gz FCXKZMJOEUNFCS-GFCCVEGCSA-N 0 0 174.243 2.798 10 0 AFAERN CCOc1c(C)ccc(C=O)c1C 238255348 573025594 /nfs/dbraw/zinc/02/55/94/573025594.db2.gz SPNZMNUZXVDHHB-UHFFFAOYSA-N 0 0 178.231 2.515 10 0 AFAERN CCNC(=O)[C@H]1CCC(C)(C)C=C1C 238255089 573025717 /nfs/dbraw/zinc/02/57/17/573025717.db2.gz BYSSYAYLWWYZCL-JTQLQIEISA-N 0 0 195.306 2.505 10 0 AFAERN Cc1ccncc1[C@H](O)C1CCCC1 85440344 573025824 /nfs/dbraw/zinc/02/58/24/573025824.db2.gz NMKRCVAUPSYQAO-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CCNc1cccc2cccc(O)c12 238254800 573025966 /nfs/dbraw/zinc/02/59/66/573025966.db2.gz RGVOXQDDDVGETO-UHFFFAOYSA-N 0 0 187.242 2.977 10 0 AFAERN CC[C@@H]1CNc2c(F)cc(F)cc2N1 123455472 573025980 /nfs/dbraw/zinc/02/59/80/573025980.db2.gz VIJDKRLCQICLKI-SSDOTTSWSA-N 0 0 198.216 2.581 10 0 AFAERN CCCCC[C@@H]1O[C@H](O)CC[C@H]1C 308232340 573025985 /nfs/dbraw/zinc/02/59/85/573025985.db2.gz UBYPEUWANZYBOR-VWYCJHECSA-N 0 0 186.295 2.700 10 0 AFAERN CC[C@@](O)(c1cnccc1C)C(C)C 85440148 573026025 /nfs/dbraw/zinc/02/60/25/573026025.db2.gz PFCXLWJIWVYHSP-LBPRGKRZSA-N 0 0 193.290 2.644 10 0 AFAERN CCC[C@@H](O)C1=CCc2ccccc21 238254225 573026332 /nfs/dbraw/zinc/02/63/32/573026332.db2.gz OLVSGIFVPZJPHF-CYBMUJFWSA-N 0 0 188.270 2.787 10 0 AFAERN CCNc1ccc2c(c1)[C@@H](O)C[C@@H]2C 113685715 573026375 /nfs/dbraw/zinc/02/63/75/573026375.db2.gz IKBJTBFUGMLBEB-UFBFGSQYSA-N 0 0 191.274 2.659 10 0 AFAERN CC[C@H]1CNc2c(F)cc(F)cc2N1 123455674 573026381 /nfs/dbraw/zinc/02/63/81/573026381.db2.gz VIJDKRLCQICLKI-ZETCQYMHSA-N 0 0 198.216 2.581 10 0 AFAERN CCOCCCCc1ccnc(C)c1 308478338 573026397 /nfs/dbraw/zinc/02/63/97/573026397.db2.gz KMAGANZYPMKVDC-UHFFFAOYSA-N 0 0 193.290 2.749 10 0 AFAERN CC[C@H](C)[C@](C)(O)c1cnccc1C 85440141 573026398 /nfs/dbraw/zinc/02/63/98/573026398.db2.gz LKRONWPKGCEHIE-JQWIXIFHSA-N 0 0 193.290 2.644 10 0 AFAERN Cc1ccc2c(c1)[C@H](CCO)CS2 258229531 573026661 /nfs/dbraw/zinc/02/66/61/573026661.db2.gz WJYLMCXQBDJHIY-SECBINFHSA-N 0 0 194.299 2.567 10 0 AFAERN CC/C=C/COC(=O)[C@@H](C)C(C)C 308477370 573026775 /nfs/dbraw/zinc/02/67/75/573026775.db2.gz MGDXCDRGWPDNGL-FGEFZZPRSA-N 0 0 184.279 2.788 10 0 AFAERN CC[C@](O)(c1cnccc1C)C(C)C 85440150 573026952 /nfs/dbraw/zinc/02/69/52/573026952.db2.gz PFCXLWJIWVYHSP-GFCCVEGCSA-N 0 0 193.290 2.644 10 0 AFAERN Clc1ncc(Cc2cccs2)o1 258526589 573026966 /nfs/dbraw/zinc/02/69/66/573026966.db2.gz MELPTKRVDVCXFC-UHFFFAOYSA-N 0 0 199.662 2.980 10 0 AFAERN Cc1ccc(NC=S)c(C)c1 198641206 573027071 /nfs/dbraw/zinc/02/70/71/573027071.db2.gz MXWDTPDOGYFENM-UHFFFAOYSA-N 0 0 165.261 2.673 10 0 AFAERN CCc1nc(Cl)c2n1[C@H](C)CCC2 258229255 573027075 /nfs/dbraw/zinc/02/70/75/573027075.db2.gz KVUMVGALDWNQCX-SSDOTTSWSA-N 0 0 198.697 2.996 10 0 AFAERN CCC[C@@H](C)C(=O)OCC1(C)CC1 308227616 573027077 /nfs/dbraw/zinc/02/70/77/573027077.db2.gz NQRSWASPMCLZID-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CC/C=C/C(=O)N[C@H](C)[C@H](C)CC 308229250 573028145 /nfs/dbraw/zinc/02/81/45/573028145.db2.gz OCKXJRABYUOQLT-WENXHQBNSA-N 0 0 183.295 2.503 10 0 AFAERN CCCc1ccc(F)c(C=O)c1 258526621 573027699 /nfs/dbraw/zinc/02/76/99/573027699.db2.gz MYHJNPGLWDPPIZ-UHFFFAOYSA-N 0 0 166.195 2.591 10 0 AFAERN Cc1ccncc1C1(O)CCCCC1 85440088 573027741 /nfs/dbraw/zinc/02/77/41/573027741.db2.gz PULDUTCLKXRGIB-UHFFFAOYSA-N 0 0 191.274 2.542 10 0 AFAERN CC(C)(c1ccccc1N)C(F)F 257924562 573027752 /nfs/dbraw/zinc/02/77/52/573027752.db2.gz RWXCIPYBSARMLV-UHFFFAOYSA-N 0 0 185.217 2.812 10 0 AFAERN Cc1ccc2ccccc2c1O 113734354 573027755 /nfs/dbraw/zinc/02/77/55/573027755.db2.gz OVRFMMLOGHJZLA-QMMMGPOBSA-N 0 0 158.200 2.532 10 0 AFAERN CCC[C@@H](C)C(=O)O[C@@H](C)C1CC1 308227564 573028285 /nfs/dbraw/zinc/02/82/85/573028285.db2.gz NOLFMBLVSDDIAU-BDAKNGLRSA-N 0 0 184.279 2.764 10 0 AFAERN Cc1noc(N)c1C1=CC[C@H](C)CC1 85436326 573027959 /nfs/dbraw/zinc/02/79/59/573027959.db2.gz KICGIHKIZABKHL-ZETCQYMHSA-N 0 0 192.262 2.769 10 0 AFAERN CCC[C@H]1Cc2cccc(O)c2CO1 238248131 573028409 /nfs/dbraw/zinc/02/84/09/573028409.db2.gz LDMDBTHDSQTKAI-JTQLQIEISA-N 0 0 192.258 2.634 10 0 AFAERN CCOC1(Nc2ccc(F)cc2)CC1 238256463 573028521 /nfs/dbraw/zinc/02/85/21/573028521.db2.gz HLOGPHGSJCIJNR-UHFFFAOYSA-N 0 0 195.237 2.764 10 0 AFAERN CCC[C@H](OC)C(=O)C1CCCCC1 131858474 573028572 /nfs/dbraw/zinc/02/85/72/573028572.db2.gz XZMAZMIDTBXWAM-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN CSCc1nc2c(F)cccc2[nH]1 82409869 573029155 /nfs/dbraw/zinc/02/91/55/573029155.db2.gz HVAXLXDOBDGMGE-UHFFFAOYSA-N 0 0 196.250 2.565 10 0 AFAERN Cc1ccc(C(C)(C)C)c(CO)c1 198652204 573029171 /nfs/dbraw/zinc/02/91/71/573029171.db2.gz VKFQLCNUQVUITM-UHFFFAOYSA-N 0 0 178.275 2.785 10 0 AFAERN CC1CC(OC(=O)[C@@H](C)C(C)C)C1 308230689 573029536 /nfs/dbraw/zinc/02/95/36/573029536.db2.gz GMWPLCHCIGRFAE-KYHHOPLUSA-N 0 0 184.279 2.620 10 0 AFAERN CC1=C[C@](C)(C(F)(F)F)CC[C@@H]1O 238256179 573029668 /nfs/dbraw/zinc/02/96/68/573029668.db2.gz KUSPOKRVRQQRAH-JGVFFNPUSA-N 0 0 194.196 2.656 10 0 AFAERN CCCC(=O)OCC1CC(C)(C)C1 308230261 573029790 /nfs/dbraw/zinc/02/97/90/573029790.db2.gz OKBNBSVVCFMTAY-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CCCCCc1ccc(CO)o1 238248100 573029809 /nfs/dbraw/zinc/02/98/09/573029809.db2.gz DHNQANUOYCNBTI-UHFFFAOYSA-N 0 0 168.236 2.505 10 0 AFAERN CCC[C@@H]([NH3+])c1ccccc1[S-] 104579124 573029861 /nfs/dbraw/zinc/02/98/61/573029861.db2.gz PGZZBZMTPLQMAV-SECBINFHSA-N 0 0 181.304 2.775 10 0 AFAERN CC1=CC(C)(C)c2ccccc2[C@H]1O 238256675 573030492 /nfs/dbraw/zinc/03/04/92/573030492.db2.gz XAHYKTVERCWBSC-LBPRGKRZSA-N 0 0 188.270 2.958 10 0 AFAERN CCOC1(Nc2ccccc2C)CC1 238256480 573030836 /nfs/dbraw/zinc/03/08/36/573030836.db2.gz MMQMRFSGGKXPFC-UHFFFAOYSA-N 0 0 191.274 2.934 10 0 AFAERN CCC(=O)c1ccc2occc2c1O 238248511 573030850 /nfs/dbraw/zinc/03/08/50/573030850.db2.gz RRSOIZQLZKELTM-UHFFFAOYSA-N 0 0 190.198 2.731 10 0 AFAERN Oc1ccc(C2=CCSC2)cc1 257932027 573031179 /nfs/dbraw/zinc/03/11/79/573031179.db2.gz TVWHBLANLJXEQM-UHFFFAOYSA-N 0 0 178.256 2.522 10 0 AFAERN Nc1c(F)ccc2c(Cl)nccc12 258230061 573030928 /nfs/dbraw/zinc/03/09/28/573030928.db2.gz ZKXBRWXUGAZGQI-UHFFFAOYSA-N 0 0 196.612 2.610 10 0 AFAERN CC1=CC(C)(C)c2ccccc2[C@@H]1O 238256664 573031021 /nfs/dbraw/zinc/03/10/21/573031021.db2.gz XAHYKTVERCWBSC-GFCCVEGCSA-N 0 0 188.270 2.958 10 0 AFAERN Cc1ccncc1[C@@H](O)CC(C)(C)C 85440418 573031509 /nfs/dbraw/zinc/03/15/09/573031509.db2.gz UBFVAVJJUPAAGM-NSHDSACASA-N 0 0 193.290 2.860 10 0 AFAERN CC(C)[C@@H]([NH3+])c1ccccc1[S-] 104578632 573031215 /nfs/dbraw/zinc/03/12/15/573031215.db2.gz GNVBRONMPSBNDG-SNVBAGLBSA-N 0 0 181.304 2.631 10 0 AFAERN Cc1cc([C@@H](C)O)c(Cl)cc1F 87974238 573031360 /nfs/dbraw/zinc/03/13/60/573031360.db2.gz HLQYXEOJYSSMFN-ZCFIWIBFSA-N 0 0 188.629 2.841 10 0 AFAERN Cc1ccncc1C(=O)C1CCCC1 85440807 573031429 /nfs/dbraw/zinc/03/14/29/573031429.db2.gz TWSOFOKFKUEYSD-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN Cc1ccncc1-c1ccccc1C=O 85441925 573031437 /nfs/dbraw/zinc/03/14/37/573031437.db2.gz ZEQVMVBMHBOSSD-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CCC[C@@H](O)c1cccc(Cl)c1N 257931639 573031882 /nfs/dbraw/zinc/03/18/82/573031882.db2.gz ZSZVSKXYIXGDID-SECBINFHSA-N 0 0 199.681 2.756 10 0 AFAERN CCC[C@H]([NH3+])c1ccccc1[S-] 104579121 573031897 /nfs/dbraw/zinc/03/18/97/573031897.db2.gz PGZZBZMTPLQMAV-VIFPVBQESA-N 0 0 181.304 2.775 10 0 AFAERN c1cc(NCC[C@H]2CCCO2)cs1 82409800 573031942 /nfs/dbraw/zinc/03/19/42/573031942.db2.gz BTAPSDGXXWUFCU-SNVBAGLBSA-N 0 0 197.303 2.729 10 0 AFAERN Nc1cc2ccsc2s1 82406527 573031978 /nfs/dbraw/zinc/03/19/78/573031978.db2.gz JRYZVWLCTUBOER-UHFFFAOYSA-N 0 0 155.247 2.545 10 0 AFAERN Cc1cn(C)c2ccc([C@@H](C)O)cc12 257930956 573032341 /nfs/dbraw/zinc/03/23/41/573032341.db2.gz CTJUVCIQOMQXRP-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CSCc1cnc(C)n1C(C)C 258230830 573032028 /nfs/dbraw/zinc/03/20/28/573032028.db2.gz PXFPFNQJKSBEQB-UHFFFAOYSA-N 0 0 184.308 2.635 10 0 AFAERN Cc1ccncc1[C@@H]1CCCCC1=O 85442149 573032109 /nfs/dbraw/zinc/03/21/09/573032109.db2.gz ZSQIXPNTRYEFRK-JTQLQIEISA-N 0 0 189.258 2.617 10 0 AFAERN CCC[C@H](C)NC(=O)/C=C\C(C)C 308232596 573032179 /nfs/dbraw/zinc/03/21/79/573032179.db2.gz PMKDLHKWJSKRER-DMEOUFDRSA-N 0 0 183.295 2.503 10 0 AFAERN O=C1CC(CC2CCCC2)C1 113813934 573032207 /nfs/dbraw/zinc/03/22/07/573032207.db2.gz PMQFAJYPOHVQGQ-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ccncc1[C@H](O)CC(C)(C)C 85440415 573032213 /nfs/dbraw/zinc/03/22/13/573032213.db2.gz UBFVAVJJUPAAGM-LLVKDONJSA-N 0 0 193.290 2.860 10 0 AFAERN Cc1cccc(C)c1C1CC(=O)C1 113813967 573032228 /nfs/dbraw/zinc/03/22/28/573032228.db2.gz VUMBBPZFRNPOTJ-UHFFFAOYSA-N 0 0 174.243 2.750 10 0 AFAERN Fc1ccccc1[C@@]12CC[C@@H](C1)OC2 257931450 573032280 /nfs/dbraw/zinc/03/22/80/573032280.db2.gz BMTFZGFEUTXAFQ-CABZTGNLSA-N 0 0 192.233 2.646 10 0 AFAERN Cc1nc2cc(F)ccc2nc1Cl 113813742 573032548 /nfs/dbraw/zinc/03/25/48/573032548.db2.gz BSWRNHUEKAOGIU-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN CC[C@H](C)C(=O)c1cnccc1C 85440848 573032602 /nfs/dbraw/zinc/03/26/02/573032602.db2.gz NHHCYNWJRBOZDV-QMMMGPOBSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1ccncc1C(=O)CC(C)C 85440789 573032857 /nfs/dbraw/zinc/03/28/57/573032857.db2.gz BJUUQJJXYSGLAD-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN CC[C@H](C)Nc1ccsc1 82409695 573032898 /nfs/dbraw/zinc/03/28/98/573032898.db2.gz ONGSZFYGDBIILC-ZETCQYMHSA-N 0 0 155.266 2.959 10 0 AFAERN COCc1cc2cccc(C)c2[nH]1 257931868 573033017 /nfs/dbraw/zinc/03/30/17/573033017.db2.gz TYFLSTXHGZRLNK-UHFFFAOYSA-N 0 0 175.231 2.623 10 0 AFAERN CO[C@@H](C)c1ccccc1C(C)(C)O 259598029 573033068 /nfs/dbraw/zinc/03/30/68/573033068.db2.gz ZNVBNYHNQQNEDD-VIFPVBQESA-N 0 0 194.274 2.621 10 0 AFAERN CCC[C@@H](C)NC(=O)/C=C\C(C)C 308232597 573033170 /nfs/dbraw/zinc/03/31/70/573033170.db2.gz PMKDLHKWJSKRER-GQYWMQPJSA-N 0 0 183.295 2.503 10 0 AFAERN Cc1cn(C)c2ccc([C@H](C)O)cc12 257930957 573033255 /nfs/dbraw/zinc/03/32/55/573033255.db2.gz CTJUVCIQOMQXRP-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN CC/C=C(\CCC)c1nnc(C)o1 308236586 573033394 /nfs/dbraw/zinc/03/33/94/573033394.db2.gz QYWBPRRDIYUGPM-RMKNXTFCSA-N 0 0 180.251 2.972 10 0 AFAERN CCC(=O)c1cccc2c1NCCC2 238248697 573033533 /nfs/dbraw/zinc/03/35/33/573033533.db2.gz NVKXQUVYUXPPLS-UHFFFAOYSA-N 0 0 189.258 2.637 10 0 AFAERN Cc1ccncc1[C@H]1CCCCC1=O 85442150 573033534 /nfs/dbraw/zinc/03/35/34/573033534.db2.gz ZSQIXPNTRYEFRK-SNVBAGLBSA-N 0 0 189.258 2.617 10 0 AFAERN Cc1ccncc1[C@H]1CCCC(=O)C1 85442667 573033590 /nfs/dbraw/zinc/03/35/90/573033590.db2.gz ZXONYVKROHKKLU-JTQLQIEISA-N 0 0 189.258 2.617 10 0 AFAERN CCO[C@@H]1C[C@H]1C(=O)[C@H](C)CC(C)C 689914880 573033607 /nfs/dbraw/zinc/03/36/07/573033607.db2.gz FIWJXAVQEDXXRX-GMTAPVOTSA-N 0 0 198.306 2.663 10 0 AFAERN C=C/C=C/[C@H]1CCCC(C)=C[C@H]1O 238248690 573033742 /nfs/dbraw/zinc/03/37/42/573033742.db2.gz HXXCDINAYRXOIM-BLWPOKMGSA-N 0 0 178.275 2.836 10 0 AFAERN CCC[C@@H]1C(=O)[C@@H]2CCCC[C@@H]12 238249456 573033766 /nfs/dbraw/zinc/03/37/66/573033766.db2.gz KLDPQZRGZYHMPY-LPEHRKFASA-N 0 0 166.264 2.792 10 0 AFAERN CCO[C@@H]1C[C@H]1C(=O)[C@@H](C)CC(C)C 689914882 573033800 /nfs/dbraw/zinc/03/38/00/573033800.db2.gz FIWJXAVQEDXXRX-HBNTYKKESA-N 0 0 198.306 2.663 10 0 AFAERN CCO[C@@H]1C[C@@H]1C(=O)[C@H](C)CC(C)C 689914884 573033838 /nfs/dbraw/zinc/03/38/38/573033838.db2.gz FIWJXAVQEDXXRX-OUAUKWLOSA-N 0 0 198.306 2.663 10 0 AFAERN CCNc1c(Cl)cncc1Cl 238249215 573033890 /nfs/dbraw/zinc/03/38/90/573033890.db2.gz LVJXZROXTDNNDX-UHFFFAOYSA-N 0 0 191.061 2.820 10 0 AFAERN CCC[C@@H]1C(=O)C[C@@H]2CCC[C@@H]21 238249629 573033896 /nfs/dbraw/zinc/03/38/96/573033896.db2.gz UZCYWVUIIBHPFR-GUBZILKMSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccncc1[C@@H]1CCCC(=O)C1 85442665 573033989 /nfs/dbraw/zinc/03/39/89/573033989.db2.gz ZXONYVKROHKKLU-SNVBAGLBSA-N 0 0 189.258 2.617 10 0 AFAERN CC1=C([C@@H](O)c2ccc(C)cc2)C1 238249324 573034023 /nfs/dbraw/zinc/03/40/23/573034023.db2.gz QJOMWFCSIJNEQA-LBPRGKRZSA-N 0 0 174.243 2.749 10 0 AFAERN CCC[C@@H]1C(=O)[C@@H]2CCC=C[C@@H]12 238249403 573034036 /nfs/dbraw/zinc/03/40/36/573034036.db2.gz XDOGXIKQRIJVHZ-LPEHRKFASA-N 0 0 164.248 2.568 10 0 AFAERN CCC[C@@H]1CC[C@@H](C)CC1=O 113844933 573034049 /nfs/dbraw/zinc/03/40/49/573034049.db2.gz NTUYHILVAVUKKB-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN C=C/C=C/[C@@H]1CCCC(C)=C[C@H]1O 238248968 573034091 /nfs/dbraw/zinc/03/40/91/573034091.db2.gz HXXCDINAYRXOIM-KSOFABFVSA-N 0 0 178.275 2.836 10 0 AFAERN CCc1nc(C2CC2)nc(Cl)c1C 82442228 573034210 /nfs/dbraw/zinc/03/42/10/573034210.db2.gz GWSYPSLNJOIJFH-UHFFFAOYSA-N 0 0 196.681 2.878 10 0 AFAERN CC1(C)[C@H]2c3ccccc3[C@@H]1C[C@@H]2O 238248605 573034225 /nfs/dbraw/zinc/03/42/25/573034225.db2.gz YLMODOCJXDGFKQ-SRVKXCTJSA-N 0 0 188.270 2.658 10 0 AFAERN CC1=C([C@H](O)C2=CCCCO2)CCC1 238249623 573034299 /nfs/dbraw/zinc/03/42/99/573034299.db2.gz QSMPXPOBIIXVOG-LBPRGKRZSA-N 0 0 194.274 2.542 10 0 AFAERN C/C=C/C[C@H](C)C(=O)CC 82442728 573034328 /nfs/dbraw/zinc/03/43/28/573034328.db2.gz QVTFXABHWRPLJC-JQTRYQTASA-N 0 0 140.226 2.568 10 0 AFAERN COC(C)(C)c1cccc([C@@H](C)O)c1 259597744 573034355 /nfs/dbraw/zinc/03/43/55/573034355.db2.gz ZKTLZOCMQRUADU-SECBINFHSA-N 0 0 194.274 2.621 10 0 AFAERN CCn1ccc2cc(C(C)=O)ccc21 257926587 573034435 /nfs/dbraw/zinc/03/44/35/573034435.db2.gz ASZOBRUUQWVLPQ-UHFFFAOYSA-N 0 0 187.242 2.864 10 0 AFAERN C[C@H]1CCCC2(CCCC2)C1=O 141815332 573034522 /nfs/dbraw/zinc/03/45/22/573034522.db2.gz BAIKJEPXADEUEJ-VIFPVBQESA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@@H](C)Cc1ccc(O)cc1 113843295 573034557 /nfs/dbraw/zinc/03/45/57/573034557.db2.gz WNLHHAAYHRAAKQ-SECBINFHSA-N 0 0 164.248 2.981 10 0 AFAERN C/C=C/c1cnc(NCCC)s1 238249995 573034621 /nfs/dbraw/zinc/03/46/21/573034621.db2.gz YDCQUYDSFDNCFM-HWKANZROSA-N 0 0 182.292 2.998 10 0 AFAERN Cc1nc(Cl)c(C)c(C)c1C 113837369 573034662 /nfs/dbraw/zinc/03/46/62/573034662.db2.gz NQRMLXOCMRALQV-UHFFFAOYSA-N 0 0 169.655 2.969 10 0 AFAERN CCCOC(=O)/C(C)=C\C(C)(C)C 308232573 573034725 /nfs/dbraw/zinc/03/47/25/573034725.db2.gz PLLXNDDCUZWWCE-HJWRWDBZSA-N 0 0 184.279 2.932 10 0 AFAERN CC1(C)C[C@H](O)[C@@]2(C)C=CCC[C@@H]12 238249314 573034823 /nfs/dbraw/zinc/03/48/23/573034823.db2.gz WLRKRRPMDUCIHO-NHCYSSNCSA-N 0 0 180.291 2.750 10 0 AFAERN CSCCC[C@@H](CO)C(C)(C)C 131860460 573034825 /nfs/dbraw/zinc/03/48/25/573034825.db2.gz CHZSZALXDBQPGY-VIFPVBQESA-N 0 0 190.352 2.784 10 0 AFAERN CCC(=S)Nc1ccc(OC)cc1 238249485 573034902 /nfs/dbraw/zinc/03/49/02/573034902.db2.gz LHYXLKBWRXOMQW-UHFFFAOYSA-N 0 0 195.287 2.845 10 0 AFAERN C=COc1cscc1OC=C 113845262 573034944 /nfs/dbraw/zinc/03/49/44/573034944.db2.gz FYQLFBWSHGTQLX-UHFFFAOYSA-N 0 0 168.217 2.793 10 0 AFAERN COc1ccc2ncc(C)cc2c1 113827337 573035090 /nfs/dbraw/zinc/03/50/90/573035090.db2.gz URWUPTJSDGPLMQ-UHFFFAOYSA-N 0 0 173.215 2.552 10 0 AFAERN CC1(C)C[C@H](O)[C@]2(C)C=CCC[C@@H]12 238249616 573035208 /nfs/dbraw/zinc/03/52/08/573035208.db2.gz WLRKRRPMDUCIHO-JBLDHEPKSA-N 0 0 180.291 2.750 10 0 AFAERN CC1=C([C@H](O)c2ccc(C)cc2)C1 238249676 573035230 /nfs/dbraw/zinc/03/52/30/573035230.db2.gz QJOMWFCSIJNEQA-GFCCVEGCSA-N 0 0 174.243 2.749 10 0 AFAERN COCCCCOCc1ccccc1 141798509 573035232 /nfs/dbraw/zinc/03/52/32/573035232.db2.gz ODRNXWXLMHZREW-UHFFFAOYSA-N 0 0 194.274 2.630 10 0 AFAERN CCC[C@@H]1C(=O)[C@H]2CCCC[C@@H]12 238249443 573035259 /nfs/dbraw/zinc/03/52/59/573035259.db2.gz KLDPQZRGZYHMPY-GUBZILKMSA-N 0 0 166.264 2.792 10 0 AFAERN Fc1ccc(Oc2ncco2)cc1 257927375 573035306 /nfs/dbraw/zinc/03/53/06/573035306.db2.gz SKZWCZOHZHKOCT-UHFFFAOYSA-N 0 0 179.150 2.606 10 0 AFAERN CCC[C@@H](C)NC(=O)/C=C/C(C)C 308232599 573035351 /nfs/dbraw/zinc/03/53/51/573035351.db2.gz PMKDLHKWJSKRER-QROSGCPLSA-N 0 0 183.295 2.503 10 0 AFAERN CCC[C@@H]1C(=O)C[C@H]2CCC[C@H]12 238249618 573035385 /nfs/dbraw/zinc/03/53/85/573035385.db2.gz UZCYWVUIIBHPFR-UTLUCORTSA-N 0 0 166.264 2.792 10 0 AFAERN CC1=C([C@@H](O)C2=CCCCO2)CCC1 238249265 573035595 /nfs/dbraw/zinc/03/55/95/573035595.db2.gz QSMPXPOBIIXVOG-GFCCVEGCSA-N 0 0 194.274 2.542 10 0 AFAERN CCCOC(=O)/C=C\C1=CCCC1 308235390 573035603 /nfs/dbraw/zinc/03/56/03/573035603.db2.gz QSKJIGRFMZDLEI-FPLPWBNLSA-N 0 0 180.247 2.606 10 0 AFAERN CC[C@H]1CC[C@]1(O)c1ccccc1 224529171 573035644 /nfs/dbraw/zinc/03/56/44/573035644.db2.gz QUWFPXLZGANZEP-CMPLNLGQSA-N 0 0 176.259 2.694 10 0 AFAERN CCC[C@H](C)NC(=O)/C=C/C(C)C 308232598 573035773 /nfs/dbraw/zinc/03/57/73/573035773.db2.gz PMKDLHKWJSKRER-JARNTUPDSA-N 0 0 183.295 2.503 10 0 AFAERN C[C@@H]1CCCC2(CCCC2)C1=O 141815128 573035905 /nfs/dbraw/zinc/03/59/05/573035905.db2.gz BAIKJEPXADEUEJ-SECBINFHSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@H](C)Cc1ccc(O)cc1 113843297 573035918 /nfs/dbraw/zinc/03/59/18/573035918.db2.gz WNLHHAAYHRAAKQ-VIFPVBQESA-N 0 0 164.248 2.981 10 0 AFAERN CO[C@H](C)c1ccccc1C(C)(C)O 259598026 573035966 /nfs/dbraw/zinc/03/59/66/573035966.db2.gz ZNVBNYHNQQNEDD-SECBINFHSA-N 0 0 194.274 2.621 10 0 AFAERN CCCOC(=O)/C(C)=C/C(C)(C)C 308232572 573036010 /nfs/dbraw/zinc/03/60/10/573036010.db2.gz PLLXNDDCUZWWCE-CMDGGOBGSA-N 0 0 184.279 2.932 10 0 AFAERN CC1(C)NC(=O)SC2=CCCC[C@@H]21 238249246 573036071 /nfs/dbraw/zinc/03/60/71/573036071.db2.gz RZCPDMPVOSMSSL-ZETCQYMHSA-N 0 0 197.303 2.905 10 0 AFAERN Cc1scc2c1CCCC2 113827924 573036120 /nfs/dbraw/zinc/03/61/20/573036120.db2.gz PBNJVVFWGRQCMT-UHFFFAOYSA-N 0 0 152.262 2.935 10 0 AFAERN CCC1(CC)C(=O)Oc2ccccc21 113855770 573036287 /nfs/dbraw/zinc/03/62/87/573036287.db2.gz UMHGCXRRQCCZDB-UHFFFAOYSA-N 0 0 190.242 2.663 10 0 AFAERN CCC[C@H]1Nc2ccccc2C(=N)O1 238249080 573036851 /nfs/dbraw/zinc/03/68/51/573036851.db2.gz AXJFBAWTMSVQAU-JTQLQIEISA-N 0 0 190.246 2.580 10 0 AFAERN CCC(=S)Nc1ccccc1OC 238249593 573036508 /nfs/dbraw/zinc/03/65/08/573036508.db2.gz NWKQOHSLYLVDBC-UHFFFAOYSA-N 0 0 195.287 2.845 10 0 AFAERN CC1=C[C@@H](O)Sc2ccccc21 238248531 573036516 /nfs/dbraw/zinc/03/65/16/573036516.db2.gz NIFIFNLGUFJMLJ-JTQLQIEISA-N 0 0 178.256 2.514 10 0 AFAERN CCC[C@@H](O)C(=O)CCCC(C)C 233297763 573036693 /nfs/dbraw/zinc/03/66/93/573036693.db2.gz GBGHHXQBZKXBIQ-SNVBAGLBSA-N 0 0 186.295 2.543 10 0 AFAERN CCCCSc1cc[nH]c1 238249318 573036747 /nfs/dbraw/zinc/03/67/47/573036747.db2.gz TXWKQAXYVZNKMJ-UHFFFAOYSA-N 0 0 155.266 2.907 10 0 AFAERN COC(C)(C)c1cccc([C@H](C)O)c1 259597747 573036847 /nfs/dbraw/zinc/03/68/47/573036847.db2.gz ZKTLZOCMQRUADU-VIFPVBQESA-N 0 0 194.274 2.621 10 0 AFAERN Cc1ccc(NC(C)C)cc1O 113864016 573036896 /nfs/dbraw/zinc/03/68/96/573036896.db2.gz UYNRBRQYDFOBBD-UHFFFAOYSA-N 0 0 165.236 2.521 10 0 AFAERN CC(=O)SCc1cccs1 36472364 573036913 /nfs/dbraw/zinc/03/69/13/573036913.db2.gz UASWRLDINWGDIF-UHFFFAOYSA-N 0 0 172.274 2.528 10 0 AFAERN Cc1c[nH]c(=O)c2cccc(Cl)c12 257927305 573036987 /nfs/dbraw/zinc/03/69/87/573036987.db2.gz BCVOFMASFDKSTC-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN OC1(C2C3CC4CC(C3)CC2C4)CC1 88022331 573037100 /nfs/dbraw/zinc/03/71/00/573037100.db2.gz LWSRSDZKZZEVMU-UHFFFAOYSA-N 0 0 192.302 2.584 10 0 AFAERN Clc1nccc2c1CCSC2 257925790 573037209 /nfs/dbraw/zinc/03/72/09/573037209.db2.gz SDKTUMXMAUVGLY-UHFFFAOYSA-N 0 0 185.679 2.524 10 0 AFAERN CC[C@H](C)OC(=O)[C@H]1CCC[C@H]1C 308237513 573037231 /nfs/dbraw/zinc/03/72/31/573037231.db2.gz RKAOSDZWWCUVOS-UTLUCORTSA-N 0 0 184.279 2.764 10 0 AFAERN Cc1ccc(NC2CCC2)cc1O 113868730 573037267 /nfs/dbraw/zinc/03/72/67/573037267.db2.gz BOERSBWEZNENLR-UHFFFAOYSA-N 0 0 177.247 2.665 10 0 AFAERN CO[C@H](C)c1ccccc1CC(C)=O 259316749 573037363 /nfs/dbraw/zinc/03/73/63/573037363.db2.gz DJELPRGPHVFTBG-SNVBAGLBSA-N 0 0 192.258 2.526 10 0 AFAERN CC(C)C[C@H](O)CCc1ccoc1 131873845 573037504 /nfs/dbraw/zinc/03/75/04/573037504.db2.gz HBKWJPRLDHLZOX-LLVKDONJSA-N 0 0 182.263 2.619 10 0 AFAERN CCC[C@@H](O)[C@@H]1C=CCCC1 238260509 573037529 /nfs/dbraw/zinc/03/75/29/573037529.db2.gz MATBUYKZUMIADP-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CCC[C@H](C)c1ccc(N)c(N)c1 238260484 573037538 /nfs/dbraw/zinc/03/75/38/573037538.db2.gz MZJZFZXZRGHYJH-QMMMGPOBSA-N 0 0 178.279 2.755 10 0 AFAERN CCO/C=C(\CC)[C@H](O)C(C)(C)C 224579724 573037595 /nfs/dbraw/zinc/03/75/95/573037595.db2.gz SNVPDZANWZEICE-DDXVTDLHSA-N 0 0 186.295 2.724 10 0 AFAERN CC(C)c1onc2cc(N)ccc12 257925773 573037747 /nfs/dbraw/zinc/03/77/47/573037747.db2.gz SDBRYHBJSXAVNL-UHFFFAOYSA-N 0 0 176.219 2.533 10 0 AFAERN CC1=C(c2ccccc2)CC[C@@H]1CO 238250257 573037775 /nfs/dbraw/zinc/03/77/75/573037775.db2.gz IXINQBPWQNXGEA-GFCCVEGCSA-N 0 0 188.270 2.862 10 0 AFAERN CC1=C[C@H](O)C[C@@H](CC(C)C)C1 224801989 573037784 /nfs/dbraw/zinc/03/77/84/573037784.db2.gz VRUTWERFFFCIMP-QWRGUYRKSA-N 0 0 168.280 2.750 10 0 AFAERN COc1c(C)cc(C)cc1Cl 113869377 573037993 /nfs/dbraw/zinc/03/79/93/573037993.db2.gz PMSHADOKRQYHRF-UHFFFAOYSA-N 0 0 170.639 2.965 10 0 AFAERN CC[C@@H](C)CC1CCC(O)CC1 238262514 573038059 /nfs/dbraw/zinc/03/80/59/573038059.db2.gz KZRCVMLCJPCUNG-KPPDAEKUSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@]1(C)CCCC[C@@H]1O 238260595 573038066 /nfs/dbraw/zinc/03/80/66/573038066.db2.gz VEIZANUPOMYBAU-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CC1(C)[C@H]2CC[C@@]13CC(=S)N[C@@H]3C2 238250244 573038341 /nfs/dbraw/zinc/03/83/41/573038341.db2.gz BZVVRSFMTXEWRQ-RNSXUZJQSA-N 0 0 195.331 2.502 10 0 AFAERN C[C@H]1C(=O)c2ccc(F)c(F)c2[C@@H]1C 235446648 573038468 /nfs/dbraw/zinc/03/84/68/573038468.db2.gz NDBGREITTDXRKA-PHDIDXHHSA-N 0 0 196.196 2.901 10 0 AFAERN CCC[C@H]1CC(C)=C[C@H](O)C1 224800485 573038513 /nfs/dbraw/zinc/03/85/13/573038513.db2.gz YAJYIJNVPGZYNL-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN CCC[C@H]1CC[C@@H](C)CC1=O 113844934 573038546 /nfs/dbraw/zinc/03/85/46/573038546.db2.gz NTUYHILVAVUKKB-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN Nc1ccc(-c2ccsc2)c(N)c1 113870168 573038566 /nfs/dbraw/zinc/03/85/66/573038566.db2.gz OPINSZDQXLCVFB-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CC1=CC[C@H]2CC(=O)CC[C@]12C 238260552 573038570 /nfs/dbraw/zinc/03/85/70/573038570.db2.gz UUTBGEXTLIZWFL-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN CCC[C@]1(C)CCCC(=O)C1 238260559 573038600 /nfs/dbraw/zinc/03/86/00/573038600.db2.gz ILFHYIVYKILILU-SNVBAGLBSA-N 0 0 154.253 2.936 10 0 AFAERN CCC(CC)Oc1cccc(C)n1 308232975 573038609 /nfs/dbraw/zinc/03/86/09/573038609.db2.gz PPAVWXTYDYHKPB-UHFFFAOYSA-N 0 0 179.263 2.957 10 0 AFAERN CCC[C@H]1CC[C@H](C)CC1=O 113844938 573038690 /nfs/dbraw/zinc/03/86/90/573038690.db2.gz NTUYHILVAVUKKB-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(C(F)F)nc(C)c1C 224811471 573038784 /nfs/dbraw/zinc/03/87/84/573038784.db2.gz BAZHAWISZZFBJY-UHFFFAOYSA-N 0 0 171.190 2.944 10 0 AFAERN C/C=C/C[C@@H](C)C(=O)CC 82442729 573038856 /nfs/dbraw/zinc/03/88/56/573038856.db2.gz QVTFXABHWRPLJC-YZCDNWJKSA-N 0 0 140.226 2.568 10 0 AFAERN CC(C)(c1ccc(N)cc1)C(F)F 257925678 573038910 /nfs/dbraw/zinc/03/89/10/573038910.db2.gz SAOWTNBEPDSLBA-UHFFFAOYSA-N 0 0 185.217 2.812 10 0 AFAERN CC[C@@H]1CCC[C@@]1(C)C(C)=O 238262399 573038973 /nfs/dbraw/zinc/03/89/73/573038973.db2.gz JVULLYLMVRQAIG-ZJUUUORDSA-N 0 0 154.253 2.792 10 0 AFAERN CNc1nc(CCCC(C)C)co1 258526736 573039076 /nfs/dbraw/zinc/03/90/76/573039076.db2.gz GUTQQUDUQDSDNZ-UHFFFAOYSA-N 0 0 182.267 2.695 10 0 AFAERN CCC[C@@H](NN)C(C)(C)C(C)(C)C 308233732 573039333 /nfs/dbraw/zinc/03/93/33/573039333.db2.gz PZIGUJRCAPRLEO-SECBINFHSA-N 0 0 186.343 2.691 10 0 AFAERN CCC[C@@H]1CC(C)=C[C@@H](O)C1 224800443 573039339 /nfs/dbraw/zinc/03/93/39/573039339.db2.gz YAJYIJNVPGZYNL-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)Nc1ncc(C2CCC2)cn1 259316500 573039374 /nfs/dbraw/zinc/03/93/74/573039374.db2.gz GVXIXCHKEAMLGG-UHFFFAOYSA-N 0 0 191.278 2.564 10 0 AFAERN C/C=C(C)/C=C\C(=O)O[C@@H](C)CC 308233760 573039398 /nfs/dbraw/zinc/03/93/98/573039398.db2.gz QAJDEFICAWAPEQ-HXTWQWOASA-N 0 0 182.263 2.851 10 0 AFAERN c1ccc2c(NC3CC3)snc2c1 82432237 573039510 /nfs/dbraw/zinc/03/95/10/573039510.db2.gz NWLYZEZXEWDYEM-UHFFFAOYSA-N 0 0 190.271 2.871 10 0 AFAERN CCC[C@@H]1CC(C)=C[C@H](O)C1 224800526 573039530 /nfs/dbraw/zinc/03/95/30/573039530.db2.gz YAJYIJNVPGZYNL-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CCC[C@@H]1CC[C@H](C)CC1=O 113844936 573039487 /nfs/dbraw/zinc/03/94/87/573039487.db2.gz NTUYHILVAVUKKB-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CCCOC(=O)C1=CCCC1(C)C 308237960 573039673 /nfs/dbraw/zinc/03/96/73/573039673.db2.gz RKLBUDKIUCVMPZ-UHFFFAOYSA-N 0 0 182.263 2.686 10 0 AFAERN CCc1nc(C(C)C)nc(NC)c1C 82443369 573039748 /nfs/dbraw/zinc/03/97/48/573039748.db2.gz JIWBVONRNJNSPY-UHFFFAOYSA-N 0 0 193.294 2.513 10 0 AFAERN C/C=C(C)/C=C/C(=O)O[C@@H](C)CC 308233763 573039782 /nfs/dbraw/zinc/03/97/82/573039782.db2.gz QAJDEFICAWAPEQ-RNNSYOFVSA-N 0 0 182.263 2.851 10 0 AFAERN CO[C@@H](C)c1ccccc1CC(C)=O 259316747 573039803 /nfs/dbraw/zinc/03/98/03/573039803.db2.gz DJELPRGPHVFTBG-JTQLQIEISA-N 0 0 192.258 2.526 10 0 AFAERN CC[C@@H](C)SC(=O)NC(C)C 238262658 573039921 /nfs/dbraw/zinc/03/99/21/573039921.db2.gz PRDLCDCNPFLGTQ-SSDOTTSWSA-N 0 0 175.297 2.636 10 0 AFAERN CC[C@@H]1CCC[C@H]2C(=O)CC[C@H]12 238262294 573039933 /nfs/dbraw/zinc/03/99/33/573039933.db2.gz IVDLMRQJIHQGNO-OPRDCNLKSA-N 0 0 166.264 2.792 10 0 AFAERN CCOc1cc(C)c(N)c(Cl)c1 238262474 573040122 /nfs/dbraw/zinc/04/01/22/573040122.db2.gz DMHPAYLEFJVPAP-UHFFFAOYSA-N 0 0 185.654 2.629 10 0 AFAERN CC1=C[C@H](O)C[C@H](CC(C)C)C1 224801890 573040265 /nfs/dbraw/zinc/04/02/65/573040265.db2.gz VRUTWERFFFCIMP-MNOVXSKESA-N 0 0 168.280 2.750 10 0 AFAERN Nc1ccccc1CCC1CC1 224813234 573040560 /nfs/dbraw/zinc/04/05/60/573040560.db2.gz LNWGFLNNYOJTIE-UHFFFAOYSA-N 0 0 161.248 2.611 10 0 AFAERN CCC[C@]1(C)CC(=O)CCS1 238260463 573040372 /nfs/dbraw/zinc/04/03/72/573040372.db2.gz AZORDEHSMAFWBH-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN CC1=C[C@@H](O)C[C@@H](CC(C)C)C1 224802028 573040429 /nfs/dbraw/zinc/04/04/29/573040429.db2.gz VRUTWERFFFCIMP-WDEREUQCSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@@H](O)[C@H](C)Cc1ccsc1 82448049 573040505 /nfs/dbraw/zinc/04/05/05/573040505.db2.gz ZIAUVSWOSJVODZ-PSASIEDQSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@H](C)OC(=O)[C@@H]1CCC[C@H]1C 308237511 573040527 /nfs/dbraw/zinc/04/05/27/573040527.db2.gz RKAOSDZWWCUVOS-KXUCPTDWSA-N 0 0 184.279 2.764 10 0 AFAERN C/C=C\[C@H](O)CCCc1ccc(C)o1 393655760 573040601 /nfs/dbraw/zinc/04/06/01/573040601.db2.gz IETJDEVMYWXULG-MZBZXASESA-N 0 0 194.274 2.848 10 0 AFAERN CC/C=C\c1nc(C(C)(C)C)no1 308232988 573040613 /nfs/dbraw/zinc/04/06/13/573040613.db2.gz PPWBKCFBYIULNW-SREVYHEPSA-N 0 0 180.251 2.790 10 0 AFAERN CCC[C@H](C)c1ccc(O)c(N)c1 238260577 573041710 /nfs/dbraw/zinc/04/17/10/573041710.db2.gz YPJYEQZHYHDYAU-QMMMGPOBSA-N 0 0 179.263 2.878 10 0 AFAERN Cc1cccc(Nc2nccs2)n1 224808036 573040708 /nfs/dbraw/zinc/04/07/08/573040708.db2.gz WDTBOUADYXFDBR-UHFFFAOYSA-N 0 0 191.259 2.590 10 0 AFAERN CCOc1c2ccccc2cn1C 238262319 573040727 /nfs/dbraw/zinc/04/07/27/573040727.db2.gz XUEBMOJIKGLRJZ-UHFFFAOYSA-N 0 0 175.231 2.577 10 0 AFAERN CC(C)[C@]1(C)CCC[C@@H](O)C1 113969201 573040732 /nfs/dbraw/zinc/04/07/32/573040732.db2.gz GXVKKGSUMOYXRP-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C[C@@H](O)CCc1ccoc1 131874032 573040749 /nfs/dbraw/zinc/04/07/49/573040749.db2.gz HBKWJPRLDHLZOX-NSHDSACASA-N 0 0 182.263 2.619 10 0 AFAERN CCN(CC)c1cc[nH]c(=S)c1C 238262452 573040863 /nfs/dbraw/zinc/04/08/63/573040863.db2.gz FJCMHSHKYTWVRW-UHFFFAOYSA-N 0 0 196.319 2.899 10 0 AFAERN C1=C[C@H]2CC[C@@H]1c1c[nH]cc12 104584297 573040877 /nfs/dbraw/zinc/04/08/77/573040877.db2.gz BGBOHYIXUAXBRP-OCAPTIKFSA-N 0 0 145.205 2.546 10 0 AFAERN C[C@@H]1CCC[C@@H]2CCC[C@@H](O)[C@@H]12 141836963 573041744 /nfs/dbraw/zinc/04/17/44/573041744.db2.gz DSJQRKHLOHUSLK-DBIOUOCHSA-N 0 0 168.280 2.584 10 0 AFAERN CCC[C@H](NN)C(C)(C)C(C)(C)C 308233734 573040990 /nfs/dbraw/zinc/04/09/90/573040990.db2.gz PZIGUJRCAPRLEO-VIFPVBQESA-N 0 0 186.343 2.691 10 0 AFAERN CC[C@H](O)[C@@H](C)CCC(C)C 82447987 573041754 /nfs/dbraw/zinc/04/17/54/573041754.db2.gz BLXFNKYQWNXNTE-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN Cc1cccc(C(=O)C(C)(C)C)n1 82451298 573041124 /nfs/dbraw/zinc/04/11/24/573041124.db2.gz IEQUMNVIHGWKPQ-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN CCCCC(=O)N[C@@H](C)C(C)(C)C 308237212 573041269 /nfs/dbraw/zinc/04/12/69/573041269.db2.gz RGAZLROCYKYDOX-VIFPVBQESA-N 0 0 185.311 2.727 10 0 AFAERN CCC(=O)[C@@H](C)P(CC)CC 238262361 573041292 /nfs/dbraw/zinc/04/12/92/573041292.db2.gz QLYAWWFPBCFEBI-MRVPVSSYSA-N 0 0 174.224 2.876 10 0 AFAERN CCC[C@H]1CC(C)=C[C@@H](O)C1 224800398 573041325 /nfs/dbraw/zinc/04/13/25/573041325.db2.gz YAJYIJNVPGZYNL-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cc(Cl)cc2c1C[C@H](C)[C@H]2O 235691778 573041410 /nfs/dbraw/zinc/04/14/10/573041410.db2.gz ZMBNRAKWHQZQBY-WRWORJQWSA-N 0 0 196.677 2.874 10 0 AFAERN CC[C@@H]1CCC[C@@](C)(CC)[C@@H]1O 238262326 573041421 /nfs/dbraw/zinc/04/14/21/573041421.db2.gz ZOTHXOLTNJWHLH-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN CCCC[C@H](C)[C@H](O)CC 82447980 573041588 /nfs/dbraw/zinc/04/15/88/573041588.db2.gz XPWBBDBJJRZCPW-DTWKUNHWSA-N 0 0 144.258 2.584 10 0 AFAERN CC1=C[C@@H](O)C[C@H](CC(C)C)C1 224801944 573041647 /nfs/dbraw/zinc/04/16/47/573041647.db2.gz VRUTWERFFFCIMP-GHMZBOCLSA-N 0 0 168.280 2.750 10 0 AFAERN CC/C=C\c1nnc([C@@H]2C[C@@H]2C)o1 308233471 573041674 /nfs/dbraw/zinc/04/16/74/573041674.db2.gz PXPUSTFAKNHHGS-GBSWACPJSA-N 0 0 178.235 2.616 10 0 AFAERN Cc1ccc(NCCCF)cc1 88024440 573043064 /nfs/dbraw/zinc/04/30/64/573043064.db2.gz HHFQIFWIMBAUCU-UHFFFAOYSA-N 0 0 167.227 2.767 10 0 AFAERN Cc1ccc(NCCCF)cc1F 88024421 573043660 /nfs/dbraw/zinc/04/36/60/573043660.db2.gz HSQROGGIZLSGRD-UHFFFAOYSA-N 0 0 185.217 2.906 10 0 AFAERN C/C=C\[C@@H](O)CCCc1ccc(C)o1 393655761 573042351 /nfs/dbraw/zinc/04/23/51/573042351.db2.gz IETJDEVMYWXULG-USEMIUTHSA-N 0 0 194.274 2.848 10 0 AFAERN CC(C)[C@@]1(C)CCC[C@@H](O)C1 113969200 573042365 /nfs/dbraw/zinc/04/23/65/573042365.db2.gz GXVKKGSUMOYXRP-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@H](CCCF)C1 88026724 573042366 /nfs/dbraw/zinc/04/23/66/573042366.db2.gz OZVUYLJXTNTODM-BBBLOLIVSA-N 0 0 174.259 2.533 10 0 AFAERN CCc1cc(C=O)c(F)cc1Cl 141847858 573042393 /nfs/dbraw/zinc/04/23/93/573042393.db2.gz ZCWOHQXOFUJJET-UHFFFAOYSA-N 0 0 186.613 2.854 10 0 AFAERN FCCCNc1cccc(F)c1 88024397 573042394 /nfs/dbraw/zinc/04/23/94/573042394.db2.gz DMBTXBMZCXMVCO-UHFFFAOYSA-N 0 0 171.190 2.597 10 0 AFAERN CSCCC[C@](C)(CO)C1CC1 131862204 573042430 /nfs/dbraw/zinc/04/24/30/573042430.db2.gz CCLGFKJOHJEDEI-SNVBAGLBSA-N 0 0 188.336 2.538 10 0 AFAERN CC1(C)Nc2cccc3c2N1CCC3 238260536 573042461 /nfs/dbraw/zinc/04/24/61/573042461.db2.gz WXGXHGAYIUHTHJ-UHFFFAOYSA-N 0 0 188.274 2.601 10 0 AFAERN C/C=C(C)/C=C/C(=O)O[C@H](C)CC 308233764 573042488 /nfs/dbraw/zinc/04/24/88/573042488.db2.gz QAJDEFICAWAPEQ-RVRNBGKESA-N 0 0 182.263 2.851 10 0 AFAERN O=Cc1nc(C2CCCCC2)co1 257933480 573042501 /nfs/dbraw/zinc/04/25/01/573042501.db2.gz TZQABLGWIWSYAT-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN O[C@H]1c2ccccc2C[C@@H]1CCCF 88026714 573042546 /nfs/dbraw/zinc/04/25/46/573042546.db2.gz WNGCWNRHWBQUQY-CMPLNLGQSA-N 0 0 194.249 2.642 10 0 AFAERN C[C@H]1CCC(=O)[C@@H](CCCF)C1 88025994 573042605 /nfs/dbraw/zinc/04/26/05/573042605.db2.gz CZXFNBGVMFGYHX-IUCAKERBSA-N 0 0 172.243 2.741 10 0 AFAERN O=C1c2ccccc2C[C@@H]1CCCF 88025983 573042630 /nfs/dbraw/zinc/04/26/30/573042630.db2.gz JEYXMUCRMLZFCQ-JTQLQIEISA-N 0 0 192.233 2.791 10 0 AFAERN O[C@@H]1c2ccccc2C[C@H]1CCCF 88026713 573042637 /nfs/dbraw/zinc/04/26/37/573042637.db2.gz WNGCWNRHWBQUQY-PWSUYJOCSA-N 0 0 194.249 2.642 10 0 AFAERN CC1=C(c2ccccc2)CC[C@H]1CO 238250278 573042639 /nfs/dbraw/zinc/04/26/39/573042639.db2.gz IXINQBPWQNXGEA-LBPRGKRZSA-N 0 0 188.270 2.862 10 0 AFAERN Cc1cc2ccc(C(C)(C)O)cc2[nH]1 257934433 573042719 /nfs/dbraw/zinc/04/27/19/573042719.db2.gz DBTIIVZBDFXRJM-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN CC1=CC[C@H]2CC(=O)CC[C@@]12C 238260564 573042755 /nfs/dbraw/zinc/04/27/55/573042755.db2.gz UUTBGEXTLIZWFL-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc(Cl)cc2c1C[C@H](C)[C@@H]2O 235691863 573042781 /nfs/dbraw/zinc/04/27/81/573042781.db2.gz ZMBNRAKWHQZQBY-CPCISQLKSA-N 0 0 196.677 2.874 10 0 AFAERN O=C1CCCCC[C@H]1CCCF 88025990 573042787 /nfs/dbraw/zinc/04/27/87/573042787.db2.gz LHYVATQTCBOHNN-VIFPVBQESA-N 0 0 172.243 2.886 10 0 AFAERN C[C@H](F)Oc1cccc2c1CCCN2 257934217 573042819 /nfs/dbraw/zinc/04/28/19/573042819.db2.gz HKLCPPFZNGICTL-MRVPVSSYSA-N 0 0 195.237 2.739 10 0 AFAERN O[C@@H]1CCCCC[C@H]1CCCF 88026709 573042820 /nfs/dbraw/zinc/04/28/20/573042820.db2.gz ZVXOUMYPFJWEAV-VHSXEESVSA-N 0 0 174.259 2.677 10 0 AFAERN FCCCNc1ccc(F)cc1 88024404 573042843 /nfs/dbraw/zinc/04/28/43/573042843.db2.gz HSXNAUSAZCNSHS-UHFFFAOYSA-N 0 0 171.190 2.597 10 0 AFAERN C/C=C/CCCCCCO 113894799 573042872 /nfs/dbraw/zinc/04/28/72/573042872.db2.gz BDBDSYCJVGJQNK-NSCUHMNNSA-N 0 0 142.242 2.505 10 0 AFAERN Cc1c(F)cccc1NCCCF 88024765 573042898 /nfs/dbraw/zinc/04/28/98/573042898.db2.gz GPOAVJVDAXTDHR-UHFFFAOYSA-N 0 0 185.217 2.906 10 0 AFAERN CCCC[C@H](C)[C@@H](O)CC 82447983 573042997 /nfs/dbraw/zinc/04/29/97/573042997.db2.gz XPWBBDBJJRZCPW-IUCAKERBSA-N 0 0 144.258 2.584 10 0 AFAERN Cc1cn(CCCF)c(C)c1C 88027151 573043002 /nfs/dbraw/zinc/04/30/02/573043002.db2.gz CJWCEIIKIWCQFP-UHFFFAOYSA-N 0 0 169.243 2.773 10 0 AFAERN CCC(CC)Cn1cc(C(C)=O)cn1 128469667 573043076 /nfs/dbraw/zinc/04/30/76/573043076.db2.gz AZTNYPDBGOMPOB-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CCSCC[C@](C)(CO)C(C)C 131864565 573043118 /nfs/dbraw/zinc/04/31/18/573043118.db2.gz CCRVMYMDPWVQMB-SNVBAGLBSA-N 0 0 190.352 2.784 10 0 AFAERN CC(C)[C@]1(C)CCC[C@H](O)C1 113969206 573043152 /nfs/dbraw/zinc/04/31/52/573043152.db2.gz GXVKKGSUMOYXRP-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](O)[C@H](C)CC=C(C)C 82448382 573043157 /nfs/dbraw/zinc/04/31/57/573043157.db2.gz VIZNHPNZAZKEPF-NXEZZACHSA-N 0 0 156.269 2.750 10 0 AFAERN CCCC[C@@H](C)Nc1ncc(F)cn1 128462661 573043189 /nfs/dbraw/zinc/04/31/89/573043189.db2.gz LDWDHXXPXVRCEK-MRVPVSSYSA-N 0 0 197.257 2.606 10 0 AFAERN CCN[C@@H](CC1CCC1)C(F)(F)F 128457933 573043197 /nfs/dbraw/zinc/04/31/97/573043197.db2.gz FZFLXFCKAUDJMJ-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN FCCCNc1cccc(F)c1F 88024623 573043219 /nfs/dbraw/zinc/04/32/19/573043219.db2.gz ZAEVDKNCKXQIDG-UHFFFAOYSA-N 0 0 189.180 2.736 10 0 AFAERN O[C@@H]1CCCCC[C@@H]1CCCF 88026708 573043279 /nfs/dbraw/zinc/04/32/79/573043279.db2.gz ZVXOUMYPFJWEAV-NXEZZACHSA-N 0 0 174.259 2.677 10 0 AFAERN FCCCNc1ccsc1 88025132 573044694 /nfs/dbraw/zinc/04/46/94/573044694.db2.gz KRSPADDGSGTJQI-UHFFFAOYSA-N 0 0 159.229 2.520 10 0 AFAERN CC/C=C\COC(=O)/C=C/C(C)C 308247726 573043299 /nfs/dbraw/zinc/04/32/99/573043299.db2.gz YCCAIRUHNGUVTA-IGTJQSIKSA-N 0 0 182.263 2.708 10 0 AFAERN C/C=C\CNc1cc(C)c(N)cc1F 395072689 573043321 /nfs/dbraw/zinc/04/33/21/573043321.db2.gz SIGAPCLDLYHJNU-ARJAWSKDSA-N 0 0 194.253 2.704 10 0 AFAERN Cc1ccc2c(C)c(F)cnc2c1 257928093 573043345 /nfs/dbraw/zinc/04/33/45/573043345.db2.gz SMUZKDLSLXQCKD-UHFFFAOYSA-N 0 0 175.206 2.991 10 0 AFAERN CCCC[C@@H](C)[C@@H](O)CC 82447982 573043433 /nfs/dbraw/zinc/04/34/33/573043433.db2.gz XPWBBDBJJRZCPW-BDAKNGLRSA-N 0 0 144.258 2.584 10 0 AFAERN CCC[C@]1(C)CCCC[C@H]1O 238260604 573043436 /nfs/dbraw/zinc/04/34/36/573043436.db2.gz VEIZANUPOMYBAU-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@H](F)COc1ccc(C)nc1 308247435 573043440 /nfs/dbraw/zinc/04/34/40/573043440.db2.gz XNYGQMRBIUSKJG-VIFPVBQESA-N 0 0 183.226 2.517 10 0 AFAERN O[C@@H]1c2ccccc2C[C@@H]1CCCF 88026712 573043456 /nfs/dbraw/zinc/04/34/56/573043456.db2.gz WNGCWNRHWBQUQY-JQWIXIFHSA-N 0 0 194.249 2.642 10 0 AFAERN CC[C@H](O)[C@@H](C)CC1CCCC1 82448084 573043527 /nfs/dbraw/zinc/04/35/27/573043527.db2.gz SPORPUHUASOSOT-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCSCC[C@@](C)(CO)C1CC1 131862624 573043529 /nfs/dbraw/zinc/04/35/29/573043529.db2.gz UMUFQHOOYAOBEZ-JTQLQIEISA-N 0 0 188.336 2.538 10 0 AFAERN CCc1ccc(C)cc1F 113899387 573044740 /nfs/dbraw/zinc/04/47/40/573044740.db2.gz BZGWSRZFTZVADI-UHFFFAOYSA-N 0 0 138.185 2.697 10 0 AFAERN Cc1ccc2c(Cl)nn(C)c2c1 257928002 573043681 /nfs/dbraw/zinc/04/36/81/573043681.db2.gz SJDLEEZFMJESOY-UHFFFAOYSA-N 0 0 180.638 2.535 10 0 AFAERN CC(C)c1ccc(/C=C/CON)cc1 258526882 573043699 /nfs/dbraw/zinc/04/36/99/573043699.db2.gz GYFKJENIOLTALG-ONEGZZNKSA-N 0 0 191.274 2.714 10 0 AFAERN C[C@@H](O)c1c(F)ccc(F)c1Cl 113938907 573043750 /nfs/dbraw/zinc/04/37/50/573043750.db2.gz PVYXVSCCCRLFHH-SCSAIBSYSA-N 0 0 192.592 2.672 10 0 AFAERN CC/C=C/COC(=O)/C=C/C(C)C 308247725 573043777 /nfs/dbraw/zinc/04/37/77/573043777.db2.gz YCCAIRUHNGUVTA-BSWSSELBSA-N 0 0 182.263 2.708 10 0 AFAERN CCN[C@H](CC1CCC1)C(F)(F)F 128458133 573043778 /nfs/dbraw/zinc/04/37/78/573043778.db2.gz FZFLXFCKAUDJMJ-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN O[C@H]1CCCCC[C@H]1CCCF 88026711 573043966 /nfs/dbraw/zinc/04/39/66/573043966.db2.gz ZVXOUMYPFJWEAV-UWVGGRQHSA-N 0 0 174.259 2.677 10 0 AFAERN C[C@@H]1CC[C@@H](O)[C@H](CCCF)C1 88026726 573044001 /nfs/dbraw/zinc/04/40/01/573044001.db2.gz OZVUYLJXTNTODM-OPRDCNLKSA-N 0 0 174.259 2.533 10 0 AFAERN CC1=CCCC(=O)[C@H]2CCC[C@H]12 238257731 573044195 /nfs/dbraw/zinc/04/41/95/573044195.db2.gz FOZOJHWQJXBDCL-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN CSCC[C@@H](CO)C1CCCC1 131864783 573044232 /nfs/dbraw/zinc/04/42/32/573044232.db2.gz HBZNJCNNRKPEER-JTQLQIEISA-N 0 0 188.336 2.538 10 0 AFAERN FCCCNc1cc(F)cc(F)c1 88024428 573044252 /nfs/dbraw/zinc/04/42/52/573044252.db2.gz XMDNUZOLPYEXIB-UHFFFAOYSA-N 0 0 189.180 2.736 10 0 AFAERN CCCCC/C=C/C=C/N 104590369 573044254 /nfs/dbraw/zinc/04/42/54/573044254.db2.gz LSQKLKBJGGHMQV-BLHCBFLLSA-N 0 0 139.242 2.595 10 0 AFAERN CC(C)c1noc2c(O)cccc12 257933482 573044268 /nfs/dbraw/zinc/04/42/68/573044268.db2.gz TZQQGQAAAWBHAM-UHFFFAOYSA-N 0 0 177.203 2.657 10 0 AFAERN CCc1cc(C)cc(CC)c1CO 113989973 573044294 /nfs/dbraw/zinc/04/42/94/573044294.db2.gz DHRMRCOGHIURAF-UHFFFAOYSA-N 0 0 178.275 2.612 10 0 AFAERN Cc1ccccc1NCCCF 88024444 573044308 /nfs/dbraw/zinc/04/43/08/573044308.db2.gz QVJXIIRZMMLHFY-UHFFFAOYSA-N 0 0 167.227 2.767 10 0 AFAERN CC1([C@H](O)CC2CC2)CC(F)(F)C1 642826727 573044350 /nfs/dbraw/zinc/04/43/50/573044350.db2.gz UPQSNRDRCCQVGE-MRVPVSSYSA-N 0 0 190.233 2.583 10 0 AFAERN CC[C@H](O)[C@H](C)CC=C(C)C 82448381 573044473 /nfs/dbraw/zinc/04/44/73/573044473.db2.gz VIZNHPNZAZKEPF-ZJUUUORDSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1cccc([C@H](O)CCC(C)C)n1 82451355 573044490 /nfs/dbraw/zinc/04/44/90/573044490.db2.gz APVCHLMGWPPQQR-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CCC/C=C/CN1CCC=C(F)C1 308248340 573044512 /nfs/dbraw/zinc/04/45/12/573044512.db2.gz ZFVHKGNJOAQZBL-SNAWJCMRSA-N 0 0 183.270 2.902 10 0 AFAERN C[C@@H]1CCC(=O)[C@H](CCCF)C1 88025991 573044553 /nfs/dbraw/zinc/04/45/53/573044553.db2.gz CZXFNBGVMFGYHX-RKDXNWHRSA-N 0 0 172.243 2.741 10 0 AFAERN CCCC(=O)O[C@H]1CCCC[C@@H]1F 308247936 573044683 /nfs/dbraw/zinc/04/46/83/573044683.db2.gz YLNZZLYHZMWZEI-IUCAKERBSA-N 0 0 188.242 2.610 10 0 AFAERN Cc1cc(F)ccc1NCCCF 88024427 573044686 /nfs/dbraw/zinc/04/46/86/573044686.db2.gz FQQLPUGVQJEONI-UHFFFAOYSA-N 0 0 185.217 2.906 10 0 AFAERN CC(C=O)c1ccccc1 113969292 573045016 /nfs/dbraw/zinc/04/50/16/573045016.db2.gz MKHXOKALQIHXPI-BQYQJAHWSA-N 0 0 134.178 2.605 10 0 AFAERN CSCCC[C@@](C)(CO)C(C)C 131863947 573044854 /nfs/dbraw/zinc/04/48/54/573044854.db2.gz CKJVLDCZZSUSSX-JTQLQIEISA-N 0 0 190.352 2.784 10 0 AFAERN CC1=CCC[C@H]2CCC(=O)C[C@H]12 238258057 573044862 /nfs/dbraw/zinc/04/48/62/573044862.db2.gz PDNRQPOINCTWTC-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN FCCCNc1ccc2c(c1)CCC2 88024379 573044946 /nfs/dbraw/zinc/04/49/46/573044946.db2.gz MCNZBVLQNQCTIN-UHFFFAOYSA-N 0 0 193.265 2.947 10 0 AFAERN Cc1ccc(F)c(NCCCF)c1 88024463 573045027 /nfs/dbraw/zinc/04/50/27/573045027.db2.gz HXYJWVPJZMAGGJ-UHFFFAOYSA-N 0 0 185.217 2.906 10 0 AFAERN COc1ccsc1C(=O)[C@H]1C[C@@H]1C 88029006 573045116 /nfs/dbraw/zinc/04/51/16/573045116.db2.gz DIWOIJPXHGBWIL-BQBZGAKWSA-N 0 0 196.271 2.595 10 0 AFAERN CC/C=C\COC(=O)/C=C\C(C)C 308247727 573045129 /nfs/dbraw/zinc/04/51/29/573045129.db2.gz YCCAIRUHNGUVTA-ISTTXYCBSA-N 0 0 182.263 2.708 10 0 AFAERN Cc1ccc(NCCCF)c(F)c1 88024459 573045173 /nfs/dbraw/zinc/04/51/73/573045173.db2.gz JKOCBLAPNHNBKP-UHFFFAOYSA-N 0 0 185.217 2.906 10 0 AFAERN CC[C@@H](F)COc1ccc(C)nc1 308247434 573045260 /nfs/dbraw/zinc/04/52/60/573045260.db2.gz XNYGQMRBIUSKJG-SECBINFHSA-N 0 0 183.226 2.517 10 0 AFAERN CC1=CCC(=O)c2ccccc2C1 238257627 573045263 /nfs/dbraw/zinc/04/52/63/573045263.db2.gz CPEZKPDAFJBUBU-UHFFFAOYSA-N 0 0 172.227 2.762 10 0 AFAERN Cc1nc2ccccc2n1CCCF 88027159 573045335 /nfs/dbraw/zinc/04/53/35/573045335.db2.gz AQXNHSYVPIQHPM-UHFFFAOYSA-N 0 0 192.237 2.704 10 0 AFAERN FCCCNc1ccccc1F 88024408 573045368 /nfs/dbraw/zinc/04/53/68/573045368.db2.gz TXHYWTUJZDGHDN-UHFFFAOYSA-N 0 0 171.190 2.597 10 0 AFAERN CCCC[C@@H](C)[C@H](O)CC 82447978 573046951 /nfs/dbraw/zinc/04/69/51/573046951.db2.gz XPWBBDBJJRZCPW-RKDXNWHRSA-N 0 0 144.258 2.584 10 0 AFAERN COc1ccsc1C(=O)[C@@H]1C[C@H]1C 88029007 573045385 /nfs/dbraw/zinc/04/53/85/573045385.db2.gz DIWOIJPXHGBWIL-RNFRBKRXSA-N 0 0 196.271 2.595 10 0 AFAERN CSc1ccc2c(c1)CCCN2 223867863 573045404 /nfs/dbraw/zinc/04/54/04/573045404.db2.gz MSAAHDSUGFWHEQ-UHFFFAOYSA-N 0 0 179.288 2.767 10 0 AFAERN C[C@@H]1C(=O)c2ccccc2C1(C)C 113924578 573045449 /nfs/dbraw/zinc/04/54/49/573045449.db2.gz KZSUMHASCAWKLE-MRVPVSSYSA-N 0 0 174.243 2.797 10 0 AFAERN CC1([C@@H](O)CC2CC2)CC(F)(F)C1 642826729 573045485 /nfs/dbraw/zinc/04/54/85/573045485.db2.gz UPQSNRDRCCQVGE-QMMMGPOBSA-N 0 0 190.233 2.583 10 0 AFAERN Cc1ccc(F)cc1NCCCF 88024418 573045496 /nfs/dbraw/zinc/04/54/96/573045496.db2.gz QTDWEHOYSMZWJI-UHFFFAOYSA-N 0 0 185.217 2.906 10 0 AFAERN C[C@H]1C(=O)c2ccccc2C1(C)C 113924579 573045550 /nfs/dbraw/zinc/04/55/50/573045550.db2.gz KZSUMHASCAWKLE-QMMMGPOBSA-N 0 0 174.243 2.797 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H](CCCF)C1 88025993 573045565 /nfs/dbraw/zinc/04/55/65/573045565.db2.gz CZXFNBGVMFGYHX-BDAKNGLRSA-N 0 0 172.243 2.741 10 0 AFAERN O=C1CCCCC[C@@H]1CCCF 88025989 573045640 /nfs/dbraw/zinc/04/56/40/573045640.db2.gz LHYVATQTCBOHNN-SECBINFHSA-N 0 0 172.243 2.886 10 0 AFAERN Cc1cccc([C@H](O)C2CCCC2)n1 82451466 573045649 /nfs/dbraw/zinc/04/56/49/573045649.db2.gz DLQKCCJODLIAMB-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CCC[C@@H](O)[C@H]1C=CCCC1 238258228 573045740 /nfs/dbraw/zinc/04/57/40/573045740.db2.gz MATBUYKZUMIADP-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN CSCCC[C@@](C)(CO)C1CC1 131862413 573045710 /nfs/dbraw/zinc/04/57/10/573045710.db2.gz CCLGFKJOHJEDEI-JTQLQIEISA-N 0 0 188.336 2.538 10 0 AFAERN CC[C@H](O)[C@@H](C)Cc1cccc(F)c1 82447951 573045790 /nfs/dbraw/zinc/04/57/90/573045790.db2.gz NJJWHOQDYXOIOH-CABZTGNLSA-N 0 0 196.265 2.775 10 0 AFAERN CC1=CCC[C@@H]2CCC(=O)C[C@H]12 238257838 573045853 /nfs/dbraw/zinc/04/58/53/573045853.db2.gz PDNRQPOINCTWTC-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cccc([C@@H](O)C2CCCC2)n1 82451468 573045895 /nfs/dbraw/zinc/04/58/95/573045895.db2.gz DLQKCCJODLIAMB-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN FCCCNc1cc(F)ccc1F 88024356 573045944 /nfs/dbraw/zinc/04/59/44/573045944.db2.gz QFKMYOWDWHNLPK-UHFFFAOYSA-N 0 0 189.180 2.736 10 0 AFAERN COc1ccsc1C(=O)C(C)C 88029034 573046005 /nfs/dbraw/zinc/04/60/05/573046005.db2.gz ZHQUIABMDQYODX-UHFFFAOYSA-N 0 0 184.260 2.595 10 0 AFAERN COCc1c[nH]c2cccc(C)c12 257934953 573045984 /nfs/dbraw/zinc/04/59/84/573045984.db2.gz UKATWXXJUCARDH-UHFFFAOYSA-N 0 0 175.231 2.623 10 0 AFAERN Nc1ccccc1[C@@H]1CCCCO1 257935932 573046025 /nfs/dbraw/zinc/04/60/25/573046025.db2.gz UGLAENFVKVGUCJ-NSHDSACASA-N 0 0 177.247 2.510 10 0 AFAERN CC/C=C/COC(=O)/C=C\C(C)C 308247728 573047008 /nfs/dbraw/zinc/04/70/08/573047008.db2.gz YCCAIRUHNGUVTA-MDAAKZFYSA-N 0 0 182.263 2.708 10 0 AFAERN CCSCC[C@H](CO)C(C)(C)C 131861129 573046093 /nfs/dbraw/zinc/04/60/93/573046093.db2.gz HYLXJMFBSATBMC-SECBINFHSA-N 0 0 190.352 2.784 10 0 AFAERN CCCC(=O)O[C@@H]1CCCC[C@H]1F 308247937 573046094 /nfs/dbraw/zinc/04/60/94/573046094.db2.gz YLNZZLYHZMWZEI-RKDXNWHRSA-N 0 0 188.242 2.610 10 0 AFAERN C[C@H](O)c1c(F)ccc(F)c1Cl 113938909 573046105 /nfs/dbraw/zinc/04/61/05/573046105.db2.gz PVYXVSCCCRLFHH-BYPYZUCNSA-N 0 0 192.592 2.672 10 0 AFAERN CCCc1cc(N)ccc1C 104588290 573046114 /nfs/dbraw/zinc/04/61/14/573046114.db2.gz WASKKXXCBUVMFN-UHFFFAOYSA-N 0 0 149.237 2.530 10 0 AFAERN CC1=CCCC(=O)[C@@H]2CCC[C@@H]12 238257719 573046149 /nfs/dbraw/zinc/04/61/49/573046149.db2.gz FOZOJHWQJXBDCL-VHSXEESVSA-N 0 0 164.248 2.712 10 0 AFAERN CCSCC[C@@H](CO)C(C)(C)C 131860894 573046172 /nfs/dbraw/zinc/04/61/72/573046172.db2.gz HYLXJMFBSATBMC-VIFPVBQESA-N 0 0 190.352 2.784 10 0 AFAERN CC1=CC[C@@H]2CCC(=O)C[C@@H]2C1 238259210 573046223 /nfs/dbraw/zinc/04/62/23/573046223.db2.gz GNXFUCVAFOPYBP-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN O=C1c2ccccc2C[C@H]1CCCF 88025984 573046228 /nfs/dbraw/zinc/04/62/28/573046228.db2.gz JEYXMUCRMLZFCQ-SNVBAGLBSA-N 0 0 192.233 2.791 10 0 AFAERN CCSCC[C@@](C)(CO)C(C)C 131864344 573046371 /nfs/dbraw/zinc/04/63/71/573046371.db2.gz CCRVMYMDPWVQMB-JTQLQIEISA-N 0 0 190.352 2.784 10 0 AFAERN CC1=CC[C@@H](C2CCCCC2)O[C@@H]1O 238258621 573046503 /nfs/dbraw/zinc/04/65/03/573046503.db2.gz TYQJOWVDLCGFRX-RYUDHWBXSA-N 0 0 196.290 2.620 10 0 AFAERN COCc1coc2cccc(C)c12 257934870 573046578 /nfs/dbraw/zinc/04/65/78/573046578.db2.gz UIIXZFJJGAZDTR-UHFFFAOYSA-N 0 0 176.215 2.888 10 0 AFAERN COc1ccsc1C(=O)C(C)(C)C 88028974 573046676 /nfs/dbraw/zinc/04/66/76/573046676.db2.gz RZQPVLIEARMVON-UHFFFAOYSA-N 0 0 198.287 2.986 10 0 AFAERN CCCC[C@H](C)Nc1ncc(F)cn1 128462907 573046703 /nfs/dbraw/zinc/04/67/03/573046703.db2.gz LDWDHXXPXVRCEK-QMMMGPOBSA-N 0 0 197.257 2.606 10 0 AFAERN FCCCNc1ccc(F)c(F)c1 88024392 573046715 /nfs/dbraw/zinc/04/67/15/573046715.db2.gz MBIDNEWRFDOBPE-UHFFFAOYSA-N 0 0 189.180 2.736 10 0 AFAERN Cc1cc[nH]c1-c1ccco1 104591296 573046721 /nfs/dbraw/zinc/04/67/21/573046721.db2.gz JXBDLNHXGHLNTD-UHFFFAOYSA-N 0 0 147.177 2.583 10 0 AFAERN OC1([C@H]2CCCS2)CCCCC1 257936042 573046723 /nfs/dbraw/zinc/04/67/23/573046723.db2.gz HMCRUWWRLKNLIA-SECBINFHSA-N 0 0 186.320 2.577 10 0 AFAERN CCSCC[C@](C)(CO)C1CC1 131862820 573046768 /nfs/dbraw/zinc/04/67/68/573046768.db2.gz UMUFQHOOYAOBEZ-SNVBAGLBSA-N 0 0 188.336 2.538 10 0 AFAERN CCCCCOC(=O)[C@@H]1CC1(C)C 308248378 573046828 /nfs/dbraw/zinc/04/68/28/573046828.db2.gz ZHAZDJOHOBZDHW-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN FCCCNc1c(F)cccc1F 88024468 573046857 /nfs/dbraw/zinc/04/68/57/573046857.db2.gz HSYPPVNVVVGJMT-UHFFFAOYSA-N 0 0 189.180 2.736 10 0 AFAERN CCCC(=O)O[C@H]1CCCC[C@H]1F 308247934 573046909 /nfs/dbraw/zinc/04/69/09/573046909.db2.gz YLNZZLYHZMWZEI-BDAKNGLRSA-N 0 0 188.242 2.610 10 0 AFAERN CC1=CC[C@@H]2CC(=O)CC[C@]12C 238259137 573047047 /nfs/dbraw/zinc/04/70/47/573047047.db2.gz UUTBGEXTLIZWFL-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@@H](O)[C@@H](C)CC=C(C)C 82448379 573047164 /nfs/dbraw/zinc/04/71/64/573047164.db2.gz VIZNHPNZAZKEPF-VHSXEESVSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1cccc(C(=O)C2CCCC2)n1 82451256 573047182 /nfs/dbraw/zinc/04/71/82/573047182.db2.gz CGFCJMYXXQNOIM-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN OC1([C@@H]2CCCS2)CCCCC1 257936045 573047417 /nfs/dbraw/zinc/04/74/17/573047417.db2.gz HMCRUWWRLKNLIA-VIFPVBQESA-N 0 0 186.320 2.577 10 0 AFAERN CCC[C@H](CC)OC(=O)C(C)(C)F 308247722 573047500 /nfs/dbraw/zinc/04/75/00/573047500.db2.gz YCAJFTFDKFAKAQ-QMMMGPOBSA-N 0 0 190.258 2.856 10 0 AFAERN CCNc1nc(Cl)c(Cl)s1 238257659 573047578 /nfs/dbraw/zinc/04/75/78/573047578.db2.gz VSJMWVPFXCZGRG-UHFFFAOYSA-N 0 0 197.090 2.882 10 0 AFAERN Cc1cccnc1[C@@H]1CCCCC[NH2+]1 88040031 573047704 /nfs/dbraw/zinc/04/77/04/573047704.db2.gz FFJBDVQWHHLZKE-NSHDSACASA-N 0 0 190.290 2.595 10 0 AFAERN CC1=CC[C@@H]2CCC(=O)C[C@H]2C1 238259244 573047708 /nfs/dbraw/zinc/04/77/08/573047708.db2.gz GNXFUCVAFOPYBP-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CCCC(=O)O[C@@H]1CCCC[C@@H]1F 308247935 573047709 /nfs/dbraw/zinc/04/77/09/573047709.db2.gz YLNZZLYHZMWZEI-DTWKUNHWSA-N 0 0 188.242 2.610 10 0 AFAERN Cc1oc(N)nc1C1CCCCC1 257935927 573047728 /nfs/dbraw/zinc/04/77/28/573047728.db2.gz UGEQUYXLXFUQMN-UHFFFAOYSA-N 0 0 180.251 2.613 10 0 AFAERN Cc1cccc([C@H]2CCCCC[NH2+]2)n1 88039982 573047865 /nfs/dbraw/zinc/04/78/65/573047865.db2.gz LZGIAUHBXSERGU-LLVKDONJSA-N 0 0 190.290 2.595 10 0 AFAERN Cc1nc([C@H]2CCCCC[NH2+]2)cs1 88040202 573047881 /nfs/dbraw/zinc/04/78/81/573047881.db2.gz SXTUCKKOXMKBAP-SECBINFHSA-N 0 0 196.319 2.656 10 0 AFAERN Fc1cccc(OCC2CCCC2)n1 85487928 573047950 /nfs/dbraw/zinc/04/79/50/573047950.db2.gz NHQSXDZZOMGYRT-UHFFFAOYSA-N 0 0 195.237 2.790 10 0 AFAERN C[C@H](O)c1cccc2ccsc12 88038109 573048027 /nfs/dbraw/zinc/04/80/27/573048027.db2.gz ZTNIODIJPBYBRS-ZETCQYMHSA-N 0 0 178.256 2.955 10 0 AFAERN CCC/C=C\CN1CCC=C(F)C1 308248339 573048094 /nfs/dbraw/zinc/04/80/94/573048094.db2.gz ZFVHKGNJOAQZBL-PLNGDYQASA-N 0 0 183.270 2.902 10 0 AFAERN CC(C)[C@@]1(C)CCC[C@H](O)C1 113969204 573048232 /nfs/dbraw/zinc/04/82/32/573048232.db2.gz GXVKKGSUMOYXRP-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cccnc1[C@H]1CCCCC[NH2+]1 88040033 573048240 /nfs/dbraw/zinc/04/82/40/573048240.db2.gz FFJBDVQWHHLZKE-LLVKDONJSA-N 0 0 190.290 2.595 10 0 AFAERN Cc1ccc2c(c1)NCCC21CC1 257934497 573048275 /nfs/dbraw/zinc/04/82/75/573048275.db2.gz UATXKXFULNTKMI-UHFFFAOYSA-N 0 0 173.259 2.842 10 0 AFAERN CCn1ccc2nc(Cl)ccc21 257936024 573048353 /nfs/dbraw/zinc/04/83/53/573048353.db2.gz UHQHDSNRFIKJTB-UHFFFAOYSA-N 0 0 180.638 2.710 10 0 AFAERN CC1=CCNc2ccsc2C1 238258470 573048368 /nfs/dbraw/zinc/04/83/68/573048368.db2.gz MJQJVRKMSWJDBX-UHFFFAOYSA-N 0 0 165.261 2.662 10 0 AFAERN CC[C@H](C)c1nc2ccc(C)nc2[nH]1 88037516 573048379 /nfs/dbraw/zinc/04/83/79/573048379.db2.gz RDRUJRYQGLOPFY-ZETCQYMHSA-N 0 0 189.262 2.780 10 0 AFAERN CCCc1nnc(CCC(C)C)o1 308247968 573048396 /nfs/dbraw/zinc/04/83/96/573048396.db2.gz YMZZVHMEGIBIFU-UHFFFAOYSA-N 0 0 182.267 2.611 10 0 AFAERN COc1ccc(OC)c(C(C)C)c1 113936134 573048447 /nfs/dbraw/zinc/04/84/47/573048447.db2.gz UOMQSUCWUDELOW-UHFFFAOYSA-N 0 0 180.247 2.827 10 0 AFAERN CC[C@H](O)c1sc(C)cc1C 88047846 573048516 /nfs/dbraw/zinc/04/85/16/573048516.db2.gz KOGMYJVZLHWEGJ-QMMMGPOBSA-N 0 0 170.277 2.808 10 0 AFAERN CC1(C)C(=O)C[C@@H]1OC1CCCCC1 85504342 573048590 /nfs/dbraw/zinc/04/85/90/573048590.db2.gz MCYQDARHCQPDFZ-NSHDSACASA-N 0 0 196.290 2.703 10 0 AFAERN CCC[C@H](C)[C@@H](O)[Si](C)(C)C 238258461 573048634 /nfs/dbraw/zinc/04/86/34/573048634.db2.gz LPVRCVAAHJOZNO-IUCAKERBSA-N 0 0 174.360 2.661 10 0 AFAERN CC1=CCC[C@@H]2CCC(=O)C[C@@H]12 238257845 573048654 /nfs/dbraw/zinc/04/86/54/573048654.db2.gz PDNRQPOINCTWTC-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@@H](O)c1cnc2ccsc2c1 88040385 573048681 /nfs/dbraw/zinc/04/86/81/573048681.db2.gz BFTXARLHHSPHEO-SECBINFHSA-N 0 0 193.271 2.740 10 0 AFAERN O=Cc1ccc2c(C3CC3)noc2c1 257934557 573048702 /nfs/dbraw/zinc/04/87/02/573048702.db2.gz UBQVYBKQZMNGSQ-UHFFFAOYSA-N 0 0 187.198 2.518 10 0 AFAERN C=CO[C@H](C)CC(C)C 85503377 573048732 /nfs/dbraw/zinc/04/87/32/573048732.db2.gz REYKZNSVWAIXEG-MRVPVSSYSA-N 0 0 128.215 2.581 10 0 AFAERN CCC[C@@H](C)[C@@H](O)[Si](C)(C)C 238258612 573048783 /nfs/dbraw/zinc/04/87/83/573048783.db2.gz LPVRCVAAHJOZNO-BDAKNGLRSA-N 0 0 174.360 2.661 10 0 AFAERN CC[C@@H](C)OC(=O)C[C@H]1C=CCC1 308248735 573049766 /nfs/dbraw/zinc/04/97/66/573049766.db2.gz ZYPJIKDJMKWIHY-ZJUUUORDSA-N 0 0 182.263 2.684 10 0 AFAERN C=COc1cc(F)ccc1C(C)=O 85503671 573049767 /nfs/dbraw/zinc/04/97/67/573049767.db2.gz NKXLYCADBVLIAB-UHFFFAOYSA-N 0 0 180.178 2.551 10 0 AFAERN C=COc1cccc(OCC)c1 85503648 573048829 /nfs/dbraw/zinc/04/88/29/573048829.db2.gz YUYBWXKUGHAWMA-UHFFFAOYSA-N 0 0 164.204 2.608 10 0 AFAERN Cc1cc(C)c(C(=O)C2CC2)s1 88047236 573048832 /nfs/dbraw/zinc/04/88/32/573048832.db2.gz PAFJXJUYZLHRON-UHFFFAOYSA-N 0 0 180.272 2.958 10 0 AFAERN CC[C@@H](C)OC1=C(C)C(C)(C)C[C@@H]1O 238259320 573048844 /nfs/dbraw/zinc/04/88/44/573048844.db2.gz TZNPEAWPCYDLKT-SCZZXKLOSA-N 0 0 198.306 2.866 10 0 AFAERN C=COc1ccc(SC)cc1 85503696 573048913 /nfs/dbraw/zinc/04/89/13/573048913.db2.gz DMWQXSICACQPIO-UHFFFAOYSA-N 0 0 166.245 2.931 10 0 AFAERN OCC[C@H](F)C1CCCCCC1 257934475 573048916 /nfs/dbraw/zinc/04/89/16/573048916.db2.gz UAPWCKHLCXODAN-JTQLQIEISA-N 0 0 174.259 2.677 10 0 AFAERN Nc1ccccc1[C@H]1CCCCO1 257935931 573048955 /nfs/dbraw/zinc/04/89/55/573048955.db2.gz UGLAENFVKVGUCJ-LLVKDONJSA-N 0 0 177.247 2.510 10 0 AFAERN CCN(C)c1ccc(C=O)cc1Cl 88041394 573049028 /nfs/dbraw/zinc/04/90/28/573049028.db2.gz TWELEENPAMBFFG-UHFFFAOYSA-N 0 0 197.665 2.609 10 0 AFAERN O=C1CCC2(CCCCCC2)CCN1 114000727 573049031 /nfs/dbraw/zinc/04/90/31/573049031.db2.gz PHXDJZDUUMNWKI-UHFFFAOYSA-N 0 0 195.306 2.627 10 0 AFAERN CC[C@@H](C)c1nc2ccc(C)nc2[nH]1 88037514 573049049 /nfs/dbraw/zinc/04/90/49/573049049.db2.gz RDRUJRYQGLOPFY-SSDOTTSWSA-N 0 0 189.262 2.780 10 0 AFAERN C[C@@]1(COc2cccc(Cl)c2)CO1 85501627 573049125 /nfs/dbraw/zinc/04/91/25/573049125.db2.gz ZMFLAPMROIRKOZ-SNVBAGLBSA-N 0 0 198.649 2.508 10 0 AFAERN Cc1nc([C@@H]2CCCCC[NH2+]2)cs1 88040200 573049131 /nfs/dbraw/zinc/04/91/31/573049131.db2.gz SXTUCKKOXMKBAP-VIFPVBQESA-N 0 0 196.319 2.656 10 0 AFAERN CC[C@H](C)Sc1nc(C)ccc1N 88035952 573049188 /nfs/dbraw/zinc/04/91/88/573049188.db2.gz JRKBPPHYNFLODA-QMMMGPOBSA-N 0 0 196.319 2.863 10 0 AFAERN CC1=CCC[C@H]2CCC(=O)C[C@@H]12 238258067 573049270 /nfs/dbraw/zinc/04/92/70/573049270.db2.gz PDNRQPOINCTWTC-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN C=CO[C@@H]1CCC[C@@H](C)C1 85503431 573049276 /nfs/dbraw/zinc/04/92/76/573049276.db2.gz SPAWSORQEJJNFQ-RKDXNWHRSA-N 0 0 140.226 2.725 10 0 AFAERN CC1=CCC2=C(CCCC2)NC(=O)C1 238257685 573049357 /nfs/dbraw/zinc/04/93/57/573049357.db2.gz WNEUDNBTPONSDM-UHFFFAOYSA-N 0 0 191.274 2.671 10 0 AFAERN C=COc1cc(C)ccc1F 85503779 573049373 /nfs/dbraw/zinc/04/93/73/573049373.db2.gz INQPNWYZRRXCCD-UHFFFAOYSA-N 0 0 152.168 2.656 10 0 AFAERN CC1=CC[C@@H](C2CCCCC2)O[C@H]1O 238258633 573049419 /nfs/dbraw/zinc/04/94/19/573049419.db2.gz TYQJOWVDLCGFRX-NWDGAFQWSA-N 0 0 196.290 2.620 10 0 AFAERN Cc1ccc2nc(C(C)(C)C)[nH]c2n1 88037585 573049434 /nfs/dbraw/zinc/04/94/34/573049434.db2.gz HWCJWEFZZVNBTN-UHFFFAOYSA-N 0 0 189.262 2.564 10 0 AFAERN CC[C@@H](C)OC1=C(C)C(C)(C)C[C@H]1O 238259333 573049453 /nfs/dbraw/zinc/04/94/53/573049453.db2.gz TZNPEAWPCYDLKT-PSASIEDQSA-N 0 0 198.306 2.866 10 0 AFAERN C=CO[C@@H]1CC[C@H](C)[C@@H](C)C1 85503775 573049507 /nfs/dbraw/zinc/04/95/07/573049507.db2.gz ARCABRVHHDGNDR-LPEHRKFASA-N 0 0 154.253 2.971 10 0 AFAERN CCC(=O)c1cnc2ccsc2c1 88040315 573049510 /nfs/dbraw/zinc/04/95/10/573049510.db2.gz CDWOBEUUQMFGGY-UHFFFAOYSA-N 0 0 191.255 2.889 10 0 AFAERN CC1=CC[C@@H]2CC(=O)CC[C@@]12C 238259143 573049522 /nfs/dbraw/zinc/04/95/22/573049522.db2.gz UUTBGEXTLIZWFL-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN OCC[C@@H](F)C1CCCCCC1 257934479 573049547 /nfs/dbraw/zinc/04/95/47/573049547.db2.gz UAPWCKHLCXODAN-SNVBAGLBSA-N 0 0 174.259 2.677 10 0 AFAERN CC(C)O[C@@H]1CC(=O)C12CCCCC2 85504891 573049552 /nfs/dbraw/zinc/04/95/52/573049552.db2.gz YEFZWGWDTWFCPA-LLVKDONJSA-N 0 0 196.290 2.703 10 0 AFAERN C=CO[C@@H]1CC[C@@H](C)[C@@H](C)C1 85503772 573049563 /nfs/dbraw/zinc/04/95/63/573049563.db2.gz ARCABRVHHDGNDR-KXUCPTDWSA-N 0 0 154.253 2.971 10 0 AFAERN CCC(=O)Cc1c[nH]c2ccccc12 141877835 573049565 /nfs/dbraw/zinc/04/95/65/573049565.db2.gz PSWJGLHYGWQYDS-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN CCC(=O)c1sc(C)cc1C 88047290 573049655 /nfs/dbraw/zinc/04/96/55/573049655.db2.gz LHYCDNXLCSGKND-UHFFFAOYSA-N 0 0 168.261 2.958 10 0 AFAERN CC1=CC[C@@H]([C@]2(C)CC[C@@H](O)O2)CC1 238258854 573049682 /nfs/dbraw/zinc/04/96/82/573049682.db2.gz SNDVMLDLXAKQKU-WOPDTQHZSA-N 0 0 196.290 2.620 10 0 AFAERN C=COC[C@@H]1CC=CC[C@H]1C 85503446 573050317 /nfs/dbraw/zinc/05/03/17/573050317.db2.gz LAHMAFZXOATDAJ-ZJUUUORDSA-N 0 0 152.237 2.749 10 0 AFAERN C=COc1ccc2c(c1)CCC2 85503404 573050298 /nfs/dbraw/zinc/05/02/98/573050298.db2.gz PPGBCUMTIRQDRI-UHFFFAOYSA-N 0 0 160.216 2.698 10 0 AFAERN Cc1ccc2nc(C3CCC3)[nH]c2n1 88037452 573050299 /nfs/dbraw/zinc/05/02/99/573050299.db2.gz JXHRJSJCJPNXMN-UHFFFAOYSA-N 0 0 187.246 2.534 10 0 AFAERN CC[C@]1(C)C(=O)C[C@@H]1OC1CCCC1 85504359 573050366 /nfs/dbraw/zinc/05/03/66/573050366.db2.gz GHMHGZITDUIRQS-NWDGAFQWSA-N 0 0 196.290 2.703 10 0 AFAERN CC[C@@H](O)c1sc(C)cc1C 88047847 573050479 /nfs/dbraw/zinc/05/04/79/573050479.db2.gz KOGMYJVZLHWEGJ-MRVPVSSYSA-N 0 0 170.277 2.808 10 0 AFAERN CC(C)O[C@H]1CC(=O)C12CCCCC2 85504894 573050490 /nfs/dbraw/zinc/05/04/90/573050490.db2.gz YEFZWGWDTWFCPA-NSHDSACASA-N 0 0 196.290 2.703 10 0 AFAERN C=CO[C@H]1CCC[C@H](C)C1 85503429 573050499 /nfs/dbraw/zinc/05/04/99/573050499.db2.gz SPAWSORQEJJNFQ-IUCAKERBSA-N 0 0 140.226 2.725 10 0 AFAERN CC(C)[C@H](F)C(=O)O[C@H](C)C(C)C 308248748 573050514 /nfs/dbraw/zinc/05/05/14/573050514.db2.gz GROSECARTRWDMM-BDAKNGLRSA-N 0 0 190.258 2.568 10 0 AFAERN CCC[C@H]1C[C@@H]1C(=O)OC1CCC1 308248730 573050520 /nfs/dbraw/zinc/05/05/20/573050520.db2.gz ZYNZEVIYESLKGM-WPRPVWTQSA-N 0 0 182.263 2.518 10 0 AFAERN COc1nc(-c2cccs2)cs1 259319503 573050544 /nfs/dbraw/zinc/05/05/44/573050544.db2.gz PMHIZBHJZLXGDO-UHFFFAOYSA-N 0 0 197.284 2.880 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@H](F)C(C)C 308248749 573050550 /nfs/dbraw/zinc/05/05/50/573050550.db2.gz GROSECARTRWDMM-DTWKUNHWSA-N 0 0 190.258 2.568 10 0 AFAERN C/C=C(F)/C=C\Cl 224655492 573050552 /nfs/dbraw/zinc/05/05/52/573050552.db2.gz OJRYTTRSEJVCMY-DSLBBWRCSA-N 0 0 120.554 2.612 10 0 AFAERN CC[C@H](C)OC(=O)C[C@H]1C=CCC1 308248733 573050561 /nfs/dbraw/zinc/05/05/61/573050561.db2.gz ZYPJIKDJMKWIHY-UWVGGRQHSA-N 0 0 182.263 2.684 10 0 AFAERN Cc1ccc(N)c(SC(C)(C)C)n1 88035956 573050565 /nfs/dbraw/zinc/05/05/65/573050565.db2.gz ZBPYDXSDUPCVKX-UHFFFAOYSA-N 0 0 196.319 2.863 10 0 AFAERN C=CO[C@@H]1CCCC[C@@H]1C 85503362 573050595 /nfs/dbraw/zinc/05/05/95/573050595.db2.gz TXMXJRPHQSCVFS-DTWKUNHWSA-N 0 0 140.226 2.725 10 0 AFAERN OCCCc1cccc2ccsc12 88039306 573050613 /nfs/dbraw/zinc/05/06/13/573050613.db2.gz BWZLNKWKKJADFG-UHFFFAOYSA-N 0 0 192.283 2.826 10 0 AFAERN CCC[C@H]1C[C@H]1C(=O)OC1CCC1 308248729 573050669 /nfs/dbraw/zinc/05/06/69/573050669.db2.gz ZYNZEVIYESLKGM-WCBMZHEXSA-N 0 0 182.263 2.518 10 0 AFAERN C=COc1cccc2c1OC(C)(C)C2 85503243 573050689 /nfs/dbraw/zinc/05/06/89/573050689.db2.gz BNQGVQOQFNONBW-UHFFFAOYSA-N 0 0 190.242 2.922 10 0 AFAERN C=CO[C@H]1CCCC[C@@H]1C 85503357 573050748 /nfs/dbraw/zinc/05/07/48/573050748.db2.gz TXMXJRPHQSCVFS-IUCAKERBSA-N 0 0 140.226 2.725 10 0 AFAERN CCC[C@H](C)c1cc(N)ccc1O 238260380 573050786 /nfs/dbraw/zinc/05/07/86/573050786.db2.gz JQRVVIXDXDFAGM-QMMMGPOBSA-N 0 0 179.263 2.878 10 0 AFAERN O=Cc1cc(Cl)c2c(c1)CCC2 257938215 573050927 /nfs/dbraw/zinc/05/09/27/573050927.db2.gz CRLZLKWTEGOFMX-UHFFFAOYSA-N 0 0 180.634 2.641 10 0 AFAERN C=COCCC(C)(C)C 85503807 573050959 /nfs/dbraw/zinc/05/09/59/573050959.db2.gz QGDLULGKJPWYHE-UHFFFAOYSA-N 0 0 128.215 2.583 10 0 AFAERN CCC1(CC)C(=O)C[C@@H]1OCC(C)C 85504819 573050966 /nfs/dbraw/zinc/05/09/66/573050966.db2.gz QVLLRDIUFMXZMF-NSHDSACASA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cc(C)c([C@H](O)C2CC2)s1 88047876 573050977 /nfs/dbraw/zinc/05/09/77/573050977.db2.gz LBCSBFCGJFLPPI-SECBINFHSA-N 0 0 182.288 2.808 10 0 AFAERN C=CO[C@@H](C)CC(C)C 85503378 573050984 /nfs/dbraw/zinc/05/09/84/573050984.db2.gz REYKZNSVWAIXEG-QMMMGPOBSA-N 0 0 128.215 2.581 10 0 AFAERN CNc1cccc(C(=O)CC(C)C)c1 259319741 573051123 /nfs/dbraw/zinc/05/11/23/573051123.db2.gz XROASKMGFFFVNJ-UHFFFAOYSA-N 0 0 191.274 2.957 10 0 AFAERN CC[C@H]1CCCC[C@H]1OC1CC(=O)C1 85504658 573051144 /nfs/dbraw/zinc/05/11/44/573051144.db2.gz MLQWBPVURBGDKX-JOYOIKCWSA-N 0 0 196.290 2.703 10 0 AFAERN C=CO[C@H]1CCCC[C@H]1C 85503355 573051191 /nfs/dbraw/zinc/05/11/91/573051191.db2.gz TXMXJRPHQSCVFS-BDAKNGLRSA-N 0 0 140.226 2.725 10 0 AFAERN C=COC1CCC(C)CC1 85503347 573051196 /nfs/dbraw/zinc/05/11/96/573051196.db2.gz SHDAZWVCIHXVIR-UHFFFAOYSA-N 0 0 140.226 2.725 10 0 AFAERN C=COC[C@@H]1CC=CC[C@@H]1C 85503450 573051206 /nfs/dbraw/zinc/05/12/06/573051206.db2.gz LAHMAFZXOATDAJ-UWVGGRQHSA-N 0 0 152.237 2.749 10 0 AFAERN C=COc1cc(C)ccc1C 85503277 573051220 /nfs/dbraw/zinc/05/12/20/573051220.db2.gz GLFYJCPSVJETDU-UHFFFAOYSA-N 0 0 148.205 2.826 10 0 AFAERN C/C=C\COC(=O)C(C)(C)C(C)C 308249627 573051230 /nfs/dbraw/zinc/05/12/30/573051230.db2.gz AMACRCCMMJEDLI-SREVYHEPSA-N 0 0 184.279 2.788 10 0 AFAERN Cc1cc2cccc([C@@H](C)O)c2[nH]1 257937882 573051968 /nfs/dbraw/zinc/05/19/68/573051968.db2.gz DHEVHXBXFNYBKW-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN C=COc1ccc2c(c1)CCCC2=O 85503619 573052172 /nfs/dbraw/zinc/05/21/72/573052172.db2.gz UQQSPTNRFBTIAC-UHFFFAOYSA-N 0 0 188.226 2.728 10 0 AFAERN CCC[C@@H]1C[C@@H]1C(=O)OC1CCC1 308248728 573052205 /nfs/dbraw/zinc/05/22/05/573052205.db2.gz ZYNZEVIYESLKGM-SCZZXKLOSA-N 0 0 182.263 2.518 10 0 AFAERN CC[C@@H](C)Sc1nc(C)ccc1N 88035950 573052225 /nfs/dbraw/zinc/05/22/25/573052225.db2.gz JRKBPPHYNFLODA-MRVPVSSYSA-N 0 0 196.319 2.863 10 0 AFAERN C=CO[C@H]1CCC[C@@H](C)C1 85503423 573052247 /nfs/dbraw/zinc/05/22/47/573052247.db2.gz SPAWSORQEJJNFQ-BDAKNGLRSA-N 0 0 140.226 2.725 10 0 AFAERN Cc1cc2cccc([C@H](C)O)c2[nH]1 257937889 573052819 /nfs/dbraw/zinc/05/28/19/573052819.db2.gz DHEVHXBXFNYBKW-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN C[C@]1(COc2ccc(Cl)cc2)CO1 85501609 573052261 /nfs/dbraw/zinc/05/22/61/573052261.db2.gz SEECKGWUISFGCF-JTQLQIEISA-N 0 0 198.649 2.508 10 0 AFAERN C=CO[C@@H]1CCCC[C@H]1C 85503358 573052306 /nfs/dbraw/zinc/05/23/06/573052306.db2.gz TXMXJRPHQSCVFS-RKDXNWHRSA-N 0 0 140.226 2.725 10 0 AFAERN C=COc1ccccc1Cl 85503267 573052363 /nfs/dbraw/zinc/05/23/63/573052363.db2.gz RPWJXFPSRAUGLN-UHFFFAOYSA-N 0 0 154.596 2.862 10 0 AFAERN CCC[C@]1(C)C=CCCC1=O 238260367 573052813 /nfs/dbraw/zinc/05/28/13/573052813.db2.gz PWOQBZPXQGDBLZ-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN C=COC[C@H]1CC=CC[C@@H]1C 85503443 573052423 /nfs/dbraw/zinc/05/24/23/573052423.db2.gz LAHMAFZXOATDAJ-VHSXEESVSA-N 0 0 152.237 2.749 10 0 AFAERN C=COc1ccccc1SC 85503693 573052473 /nfs/dbraw/zinc/05/24/73/573052473.db2.gz FCPLCFRWHVRWRM-UHFFFAOYSA-N 0 0 166.245 2.931 10 0 AFAERN C=COC1CCCCCC1 85503579 573052523 /nfs/dbraw/zinc/05/25/23/573052523.db2.gz IHYWHVQKHIWVBX-UHFFFAOYSA-N 0 0 140.226 2.869 10 0 AFAERN C=COc1ccc(C)cc1C(C)=O 85503507 573052609 /nfs/dbraw/zinc/05/26/09/573052609.db2.gz STKANCSJPMDKPW-UHFFFAOYSA-N 0 0 176.215 2.720 10 0 AFAERN C=COC[C@H]1CC=CC[C@H]1C 85503441 573052615 /nfs/dbraw/zinc/05/26/15/573052615.db2.gz LAHMAFZXOATDAJ-NXEZZACHSA-N 0 0 152.237 2.749 10 0 AFAERN CC(C)(F)c1ccc(C=O)s1 257937202 573052635 /nfs/dbraw/zinc/05/26/35/573052635.db2.gz UKLZYMYMUOVRNW-UHFFFAOYSA-N 0 0 172.224 2.765 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@@H]1OC1CCCC1 85504357 573052656 /nfs/dbraw/zinc/05/26/56/573052656.db2.gz GHMHGZITDUIRQS-RYUDHWBXSA-N 0 0 196.290 2.703 10 0 AFAERN C=COc1c(C)cccc1C 85503209 573052842 /nfs/dbraw/zinc/05/28/42/573052842.db2.gz VMCZMBKGOVAVOR-UHFFFAOYSA-N 0 0 148.205 2.826 10 0 AFAERN C[C@]1(COc2ccccc2Cl)CO1 85501607 573052667 /nfs/dbraw/zinc/05/26/67/573052667.db2.gz FIDZNVYQPZJDNJ-JTQLQIEISA-N 0 0 198.649 2.508 10 0 AFAERN CCC(C)(C)CCOC(=O)C1CC1 308250111 573052704 /nfs/dbraw/zinc/05/27/04/573052704.db2.gz APLYFUPHTXJIPH-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CCc1ccc(C(C)C)c(CO)c1 257936932 573052708 /nfs/dbraw/zinc/05/27/08/573052708.db2.gz CNRKBZMKWSZNEA-UHFFFAOYSA-N 0 0 178.275 2.865 10 0 AFAERN CCC[C@@H]1C[C@H]1C(=O)OC1CCC1 308248727 573052712 /nfs/dbraw/zinc/05/27/12/573052712.db2.gz ZYNZEVIYESLKGM-PSASIEDQSA-N 0 0 182.263 2.518 10 0 AFAERN CC/C=C(\C)C(=O)OCC[C@H](C)F 308248905 573052736 /nfs/dbraw/zinc/05/27/36/573052736.db2.gz AMKOKKIEVAXQEW-QRJSTWQJSA-N 0 0 188.242 2.634 10 0 AFAERN C[C@]1(COc2cccc(Cl)c2)CO1 85501626 573052803 /nfs/dbraw/zinc/05/28/03/573052803.db2.gz ZMFLAPMROIRKOZ-JTQLQIEISA-N 0 0 198.649 2.508 10 0 AFAERN CCC1(C(=O)OC2CC2)CCCC1 308249065 573053106 /nfs/dbraw/zinc/05/31/06/573053106.db2.gz AOTRYQXTKVLKBV-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN C[C@@H](CO)c1cccc2occc12 257936897 573053107 /nfs/dbraw/zinc/05/31/07/573053107.db2.gz CMUZFBRTGWYJPF-QMMMGPOBSA-N 0 0 176.215 2.529 10 0 AFAERN Cc1ccc(C(=S)S)cc1 114067005 573053138 /nfs/dbraw/zinc/05/31/38/573053138.db2.gz NMHGKQRBLJOZEL-UHFFFAOYSA-N 0 0 168.286 2.600 10 0 AFAERN CCC[C@@H](O)c1cnccc1Cl 238262107 573053145 /nfs/dbraw/zinc/05/31/45/573053145.db2.gz IDUIGVGLWNLDQG-SECBINFHSA-N 0 0 185.654 2.569 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@@H](F)C(C)C 308248754 573053169 /nfs/dbraw/zinc/05/31/69/573053169.db2.gz GROSECARTRWDMM-IUCAKERBSA-N 0 0 190.258 2.568 10 0 AFAERN CCC(CC)OC(=O)C(F)=C(C)C 308248521 573053309 /nfs/dbraw/zinc/05/33/09/573053309.db2.gz ZNJMGEZJHLBCFO-UHFFFAOYSA-N 0 0 188.242 2.982 10 0 AFAERN CCCc1ccn(CCC2CC2)n1 308248677 573053457 /nfs/dbraw/zinc/05/34/57/573053457.db2.gz ZVWNNFFJCQGALE-UHFFFAOYSA-N 0 0 178.279 2.636 10 0 AFAERN CC(C)Cc1ccc(N)c(Cl)n1 257937153 573053472 /nfs/dbraw/zinc/05/34/72/573053472.db2.gz UJBINJOKPWVTTR-UHFFFAOYSA-N 0 0 184.670 2.516 10 0 AFAERN C[C@H]1C[C@@H](OC2CC(=O)C2)CC[C@H]1C 85506999 573053611 /nfs/dbraw/zinc/05/36/11/573053611.db2.gz NHLKHMDEMUUAMQ-YWVKMMECSA-N 0 0 196.290 2.559 10 0 AFAERN CCC[C@H](C)[C@H](O)[Si](C)(C)C 238259856 573053658 /nfs/dbraw/zinc/05/36/58/573053658.db2.gz LPVRCVAAHJOZNO-DTWKUNHWSA-N 0 0 174.360 2.661 10 0 AFAERN CC[C@]1(C)C(=O)C[C@@H]1OC(C)(C)C 85505402 573053662 /nfs/dbraw/zinc/05/36/62/573053662.db2.gz YOUDEZZWUNGWMT-GXSJLCMTSA-N 0 0 184.279 2.559 10 0 AFAERN CCN(CC)c1c(C)cc(O)cc1C 238261941 573053677 /nfs/dbraw/zinc/05/36/77/573053677.db2.gz CGEKNQCMPRUAMR-UHFFFAOYSA-N 0 0 193.290 2.855 10 0 AFAERN Cc1coc2c([C@H](C)O)cccc12 257936387 573053722 /nfs/dbraw/zinc/05/37/22/573053722.db2.gz DELIYIFULDTGIT-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN C[C@H](Nc1cccc(Cl)n1)C1CC1 82460989 573053728 /nfs/dbraw/zinc/05/37/28/573053728.db2.gz FNTRBCOFQGQOPL-ZETCQYMHSA-N 0 0 196.681 2.945 10 0 AFAERN CCN(c1cccc(Cl)n1)C(C)C 82460910 573053777 /nfs/dbraw/zinc/05/37/77/573053777.db2.gz SHRJSCRPVZAOGN-UHFFFAOYSA-N 0 0 198.697 2.970 10 0 AFAERN CC1=CC[C@H](C2CCCCC2)O[C@H]1O 238260159 573053837 /nfs/dbraw/zinc/05/38/37/573053837.db2.gz TYQJOWVDLCGFRX-VXGBXAGGSA-N 0 0 196.290 2.620 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@H]1OC(C)(C)C 85505391 573053957 /nfs/dbraw/zinc/05/39/57/573053957.db2.gz YOUDEZZWUNGWMT-KOLCDFICSA-N 0 0 184.279 2.559 10 0 AFAERN CCCC[N@H+](C)[C@H](C)c1nccs1 308486949 573054146 /nfs/dbraw/zinc/05/41/46/573054146.db2.gz PNTLNAPOYOFFCT-SECBINFHSA-N 0 0 198.335 2.936 10 0 AFAERN CC[C@H]1CCC[C@H](OC2CC(=O)C2)C1 85506920 573054046 /nfs/dbraw/zinc/05/40/46/573054046.db2.gz IQQWWMZUPCOPEQ-ONGXEEELSA-N 0 0 196.290 2.703 10 0 AFAERN CCC(C)(C)O[C@H]1CC(=O)C1(C)C 85505539 573054069 /nfs/dbraw/zinc/05/40/69/573054069.db2.gz YROZJQPOQREWGX-VIFPVBQESA-N 0 0 184.279 2.559 10 0 AFAERN CCCO[C@H]1CC(=O)C12CCCCC2 85505779 573054080 /nfs/dbraw/zinc/05/40/80/573054080.db2.gz GKOQMJXMXIQWNR-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H]1CCC[C@@H](OC2CC(=O)C2)C1 85506922 573054103 /nfs/dbraw/zinc/05/41/03/573054103.db2.gz IQQWWMZUPCOPEQ-MWLCHTKSSA-N 0 0 196.290 2.703 10 0 AFAERN OC[C@H]1CC[C@@H]2CCCC[C@H]2C1 123522795 573054126 /nfs/dbraw/zinc/05/41/26/573054126.db2.gz HICGSFGDSIBLBR-DCAQKATOSA-N 0 0 168.280 2.585 10 0 AFAERN CC[C@@H](C)N(C)c1cccc(Cl)n1 82460922 573054174 /nfs/dbraw/zinc/05/41/74/573054174.db2.gz NXLUBHXNNQEDQT-MRVPVSSYSA-N 0 0 198.697 2.970 10 0 AFAERN CC/C=C(/C)C(=O)OCC[C@H](C)F 308248909 573054243 /nfs/dbraw/zinc/05/42/43/573054243.db2.gz AMKOKKIEVAXQEW-RDOCRHDPSA-N 0 0 188.242 2.634 10 0 AFAERN CCN(c1cccc(Cl)n1)C1CC1 82460907 573054253 /nfs/dbraw/zinc/05/42/53/573054253.db2.gz OTVWLSISCCBCCI-UHFFFAOYSA-N 0 0 196.681 2.724 10 0 AFAERN CSc1cc(F)c2c(c1)CCN2 113999324 573054418 /nfs/dbraw/zinc/05/44/18/573054418.db2.gz XPZRCAIENMAZCE-UHFFFAOYSA-N 0 0 183.251 2.516 10 0 AFAERN CCSCCNc1ccc(O)cc1 308248921 573054471 /nfs/dbraw/zinc/05/44/71/573054471.db2.gz DILJFHLTOSYGBX-UHFFFAOYSA-N 0 0 197.303 2.557 10 0 AFAERN CC1=CC[C@H](C2CCCCC2)O[C@@H]1O 238260149 573054838 /nfs/dbraw/zinc/05/48/38/573054838.db2.gz TYQJOWVDLCGFRX-NEPJUHHUSA-N 0 0 196.290 2.620 10 0 AFAERN CCC[C@H](C)c1c[nH]c(=S)[nH]1 238260308 573054689 /nfs/dbraw/zinc/05/46/89/573054689.db2.gz SGQNPKMZMZQEQY-LURJTMIESA-N 0 0 170.281 2.602 10 0 AFAERN Fc1cccc2c1NCC1(CCC1)N2 88049914 573054691 /nfs/dbraw/zinc/05/46/91/573054691.db2.gz DZBFWYVBROFACQ-UHFFFAOYSA-N 0 0 192.237 2.586 10 0 AFAERN C[C@H](CO)c1cccc2occc12 257936894 573054798 /nfs/dbraw/zinc/05/47/98/573054798.db2.gz CMUZFBRTGWYJPF-MRVPVSSYSA-N 0 0 176.215 2.529 10 0 AFAERN CC[C@H]1[C@H](C(=O)OC)C12CCCCC2 259599093 573055041 /nfs/dbraw/zinc/05/50/41/573055041.db2.gz LZGWFGFUQBASQA-VHSXEESVSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1C[C@]1(C)OC(=O)CCC1CC1 308250168 573055214 /nfs/dbraw/zinc/05/52/14/573055214.db2.gz ARHDNSDTGAVILW-KCJUWKMLSA-N 0 0 182.263 2.518 10 0 AFAERN CC[C@H](C)O[C@H]1CC(=O)C12CCCC2 85506018 573055259 /nfs/dbraw/zinc/05/52/59/573055259.db2.gz CXEROMLRARQHQF-ONGXEEELSA-N 0 0 196.290 2.703 10 0 AFAERN CCC1([C@@H](O)Cc2cccs2)CC1 308240900 573055323 /nfs/dbraw/zinc/05/53/23/573055323.db2.gz YIHHDCJLJVJPOA-JTQLQIEISA-N 0 0 196.315 2.842 10 0 AFAERN CCCc1cc(C)c(O)c(C)c1 114058257 573055375 /nfs/dbraw/zinc/05/53/75/573055375.db2.gz HJZJMARGPNJHHG-UHFFFAOYSA-N 0 0 164.248 2.962 10 0 AFAERN CCc1cc(O)cc(C(C)C)c1O 143900012 573055350 /nfs/dbraw/zinc/05/53/50/573055350.db2.gz HVPXOXJLHJQKLM-UHFFFAOYSA-N 0 0 180.247 2.784 10 0 AFAERN CCCCc1[nH]c(C)cc1C 238260370 573055418 /nfs/dbraw/zinc/05/54/18/573055418.db2.gz MJAGMRHAOOULIX-UHFFFAOYSA-N 0 0 151.253 2.974 10 0 AFAERN C[C@H]1CC(OC2CC(=O)C2)C[C@H](C)C1 85506989 573055444 /nfs/dbraw/zinc/05/54/44/573055444.db2.gz JISMXPNRCSZIMB-RKDXNWHRSA-N 0 0 196.290 2.559 10 0 AFAERN CCSc1cccc(Cl)n1 82461731 573055457 /nfs/dbraw/zinc/05/54/57/573055457.db2.gz LCFNMBJTDWHQFB-UHFFFAOYSA-N 0 0 173.668 2.847 10 0 AFAERN CC[C@@H]1[C@@H](C(=O)OC)C12CCCCC2 259599099 573055558 /nfs/dbraw/zinc/05/55/58/573055558.db2.gz LZGWFGFUQBASQA-ZJUUUORDSA-N 0 0 196.290 2.766 10 0 AFAERN CCCc1csc(CN(C)CC)n1 308239405 573056142 /nfs/dbraw/zinc/05/61/42/573056142.db2.gz RZWYDQZUFXENNV-UHFFFAOYSA-N 0 0 198.335 2.547 10 0 AFAERN CCC[C@@H](C)[C@H](O)[Si](C)(C)C 238260056 573055686 /nfs/dbraw/zinc/05/56/86/573055686.db2.gz LPVRCVAAHJOZNO-RKDXNWHRSA-N 0 0 174.360 2.661 10 0 AFAERN C[C@H]1C[C@]1(C)OC(=O)CCC1CC1 308250171 573055720 /nfs/dbraw/zinc/05/57/20/573055720.db2.gz ARHDNSDTGAVILW-KWQFWETISA-N 0 0 182.263 2.518 10 0 AFAERN C[C@H]1C[C@@]1(C)OC(=O)CCC1CC1 308250166 573055728 /nfs/dbraw/zinc/05/57/28/573055728.db2.gz ARHDNSDTGAVILW-GZMMTYOYSA-N 0 0 182.263 2.518 10 0 AFAERN CC[C@@H](C)O[C@H]1CC(=O)C12CCCC2 85506017 573055749 /nfs/dbraw/zinc/05/57/49/573055749.db2.gz CXEROMLRARQHQF-KOLCDFICSA-N 0 0 196.290 2.703 10 0 AFAERN Cc1cc(C)c(-n2cccc2)cc1N 114043519 573055819 /nfs/dbraw/zinc/05/58/19/573055819.db2.gz LUUAJIXTQWJROJ-UHFFFAOYSA-N 0 0 186.258 2.676 10 0 AFAERN CCC(C)(CC)CC[C@H](C)O 224698976 573055871 /nfs/dbraw/zinc/05/58/71/573055871.db2.gz KKHMXJZYHPSFGZ-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@H](C)N(CC1CCCC1)OC 308250194 573055959 /nfs/dbraw/zinc/05/59/59/573055959.db2.gz ARNZZHHKQGUYSR-JTQLQIEISA-N 0 0 185.311 2.839 10 0 AFAERN CC[C@H]1CCC[C@@H](OC2CC(=O)C2)C1 85506925 573056085 /nfs/dbraw/zinc/05/60/85/573056085.db2.gz IQQWWMZUPCOPEQ-GXSJLCMTSA-N 0 0 196.290 2.703 10 0 AFAERN CC[C@H](C)O[C@@H]1CC(=O)C12CCCC2 85506013 573056131 /nfs/dbraw/zinc/05/61/31/573056131.db2.gz CXEROMLRARQHQF-GXSJLCMTSA-N 0 0 196.290 2.703 10 0 AFAERN C[C@@H]1C[C@H]1Nc1cccc(Cl)n1 82461549 573056209 /nfs/dbraw/zinc/05/62/09/573056209.db2.gz FZTPSMLSDDSRSR-RNFRBKRXSA-N 0 0 182.654 2.555 10 0 AFAERN OC[C@@H]1CC[C@@H]2CCCC[C@H]2C1 123522656 573056398 /nfs/dbraw/zinc/05/63/98/573056398.db2.gz HICGSFGDSIBLBR-VWYCJHECSA-N 0 0 168.280 2.585 10 0 AFAERN Clc1ncnc(Cl)c1C1CC1 114057551 573056420 /nfs/dbraw/zinc/05/64/20/573056420.db2.gz QYJUWWNELQCTCV-UHFFFAOYSA-N 0 0 189.045 2.661 10 0 AFAERN CCC1([C@@H](O)Cc2ccsc2)CC1 308239083 573056497 /nfs/dbraw/zinc/05/64/97/573056497.db2.gz XHXNYBXRIQAQAJ-JTQLQIEISA-N 0 0 196.315 2.842 10 0 AFAERN C/C=C\CN(C)c1ccc(F)cc1 308250160 573056539 /nfs/dbraw/zinc/05/65/39/573056539.db2.gz ARGHNWPGMLEUKN-ARJAWSKDSA-N 0 0 179.238 2.838 10 0 AFAERN CC(C)(C)O[C@@H]1CC(=O)C12CCCC2 85505376 573056644 /nfs/dbraw/zinc/05/66/44/573056644.db2.gz UXNRGQRSGMZJLR-SNVBAGLBSA-N 0 0 196.290 2.703 10 0 AFAERN Fc1ccc2c(c1)NC1(CCC1)CN2 88049904 573056598 /nfs/dbraw/zinc/05/65/98/573056598.db2.gz JHXCFIRKSFGAQR-UHFFFAOYSA-N 0 0 192.237 2.586 10 0 AFAERN CCCSCc1cn(C(C)C)nn1 308239438 573056608 /nfs/dbraw/zinc/05/66/08/573056608.db2.gz SCDORPLTFUHCCA-UHFFFAOYSA-N 0 0 199.323 2.502 10 0 AFAERN Cc1ccc2c(c1)NCC1(CCC1)N2 88049917 573056665 /nfs/dbraw/zinc/05/66/65/573056665.db2.gz FUWOTMQOLHFRJH-UHFFFAOYSA-N 0 0 188.274 2.755 10 0 AFAERN CN(CC1CC1)c1cccc(Cl)n1 82461098 573056715 /nfs/dbraw/zinc/05/67/15/573056715.db2.gz OLXZDPNQQYATSY-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN CC(C)OCOc1ccc(F)cc1 308239231 573056731 /nfs/dbraw/zinc/05/67/31/573056731.db2.gz XJPZIZQWRPIJKB-UHFFFAOYSA-N 0 0 184.210 2.587 10 0 AFAERN Cc1cc(C)c(C2(O)CC2)cc1C 257938340 573056795 /nfs/dbraw/zinc/05/67/95/573056795.db2.gz CTSBDFVQYBNTFV-UHFFFAOYSA-N 0 0 176.259 2.593 10 0 AFAERN C[C@@]1(C2CCCC2)CCCC1=O 141882034 573056841 /nfs/dbraw/zinc/05/68/41/573056841.db2.gz BZYBDDZDZRQEKS-NSHDSACASA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)(C)O[C@H]1CC(=O)C12CCCC2 85505382 573056854 /nfs/dbraw/zinc/05/68/54/573056854.db2.gz UXNRGQRSGMZJLR-JTQLQIEISA-N 0 0 196.290 2.703 10 0 AFAERN CCCCCOC(=O)C(F)=C(C)C 308487613 573057211 /nfs/dbraw/zinc/05/72/11/573057211.db2.gz PULWGLWTAHPSOX-UHFFFAOYSA-N 0 0 188.242 2.983 10 0 AFAERN CC[C@@H](Nc1ccccc1C)[C@@H](C)O 238263405 573057134 /nfs/dbraw/zinc/05/71/34/573057134.db2.gz WWAWBNAUYQCNOR-GHMZBOCLSA-N 0 0 193.290 2.566 10 0 AFAERN CC[C@@H](C)CCc1ccno1 238263492 573057240 /nfs/dbraw/zinc/05/72/40/573057240.db2.gz VRWSDZNBZBPUTE-MRVPVSSYSA-N 0 0 153.225 2.653 10 0 AFAERN CCC(C)(C)OC(=O)C(F)=C(C)C 308250225 573057259 /nfs/dbraw/zinc/05/72/59/573057259.db2.gz ASQLUNMFFFVKSV-UHFFFAOYSA-N 0 0 188.242 2.982 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]2C=C[C@@H]1C2 238274916 573057308 /nfs/dbraw/zinc/05/73/08/573057308.db2.gz AXLWTLZFRIHPGS-NGZCFLSTSA-N 0 0 164.248 2.568 10 0 AFAERN COC(=O)C=C(C1CCC1)C1CCC1 308487293 573057310 /nfs/dbraw/zinc/05/73/10/573057310.db2.gz PFDZHAIMOZGFNK-UHFFFAOYSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)C[C@@H](C)C(=O)[C@H]1CCCOC1 308487855 573057301 /nfs/dbraw/zinc/05/73/01/573057301.db2.gz PNNZREGXCMEGEI-MNOVXSKESA-N 0 0 198.306 2.664 10 0 AFAERN Cc1ccc2c(c1)NC1(CCC1)CN2 88049906 573057419 /nfs/dbraw/zinc/05/74/19/573057419.db2.gz ABCXOZDVDQUZDL-UHFFFAOYSA-N 0 0 188.274 2.755 10 0 AFAERN C/C=C/C1CCCC1 81915369 573057397 /nfs/dbraw/zinc/05/73/97/573057397.db2.gz YRNAXPCUXXETST-GORDUTHDSA-N 0 0 110.200 2.753 10 0 AFAERN C[C@@H]1CC(OC2CC(=O)C2)C[C@@H](C)C1 85506986 573057494 /nfs/dbraw/zinc/05/74/94/573057494.db2.gz JISMXPNRCSZIMB-IUCAKERBSA-N 0 0 196.290 2.559 10 0 AFAERN CO[P@H](=O)CC1CCCCC1 114128069 573057592 /nfs/dbraw/zinc/05/75/92/573057592.db2.gz PPTPFXALAQDKHX-UHFFFAOYSA-N 0 0 176.196 2.688 10 0 AFAERN CCCc1cc(C(C)=O)c(C)cc1O 238274390 573057762 /nfs/dbraw/zinc/05/77/62/573057762.db2.gz MYDWMQWFLWQLAU-UHFFFAOYSA-N 0 0 192.258 2.856 10 0 AFAERN CC[C@@H]1CCC[C@H](OC2CC(=O)C2)C1 85506915 573057631 /nfs/dbraw/zinc/05/76/31/573057631.db2.gz IQQWWMZUPCOPEQ-KOLCDFICSA-N 0 0 196.290 2.703 10 0 AFAERN CC[C@@H](C)O[C@@H]1CC(=O)C12CCCC2 85506011 573057647 /nfs/dbraw/zinc/05/76/47/573057647.db2.gz CXEROMLRARQHQF-MWLCHTKSSA-N 0 0 196.290 2.703 10 0 AFAERN C[C@H]1C[C@H]1Nc1cccc(Cl)n1 82461551 573057662 /nfs/dbraw/zinc/05/76/62/573057662.db2.gz FZTPSMLSDDSRSR-NKWVEPMBSA-N 0 0 182.654 2.555 10 0 AFAERN CC(C)N(C)c1cccc(Cl)n1 82460832 573057684 /nfs/dbraw/zinc/05/76/84/573057684.db2.gz AGKJPEWNFCILGA-UHFFFAOYSA-N 0 0 184.670 2.580 10 0 AFAERN CC(=O)c1cc2ccoc2cc1F 257938318 573057691 /nfs/dbraw/zinc/05/76/91/573057691.db2.gz CTHRONRLIXTDRI-UHFFFAOYSA-N 0 0 178.162 2.775 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@@H]1OC(C)(C)C 85505399 573057735 /nfs/dbraw/zinc/05/77/35/573057735.db2.gz YOUDEZZWUNGWMT-ONGXEEELSA-N 0 0 184.279 2.559 10 0 AFAERN CCCO[C@@H]1CC(=O)C12CCCCC2 85505777 573058836 /nfs/dbraw/zinc/05/88/36/573058836.db2.gz GKOQMJXMXIQWNR-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CC[C@@H]1CCC[C@](C)(CC)[C@@H]1O 238262928 573058465 /nfs/dbraw/zinc/05/84/65/573058465.db2.gz ZOTHXOLTNJWHLH-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CCC1(CC)C(=O)C[C@H]1OC(C)(C)C 85505406 573058516 /nfs/dbraw/zinc/05/85/16/573058516.db2.gz QLIOSCUCQQDDQL-SNVBAGLBSA-N 0 0 198.306 2.949 10 0 AFAERN CCC(C)(C)O[C@@H]1CC(=O)C1(C)C 85505538 573058552 /nfs/dbraw/zinc/05/85/52/573058552.db2.gz YROZJQPOQREWGX-SECBINFHSA-N 0 0 184.279 2.559 10 0 AFAERN C[C@H]1C[C@H](OC2CC(=O)C2)CC[C@H]1C 85507006 573058594 /nfs/dbraw/zinc/05/85/94/573058594.db2.gz NHLKHMDEMUUAMQ-WCABBAIRSA-N 0 0 196.290 2.559 10 0 AFAERN CC1(C)C(=O)C[C@@H]1OCC1CCCC1 85507287 573058599 /nfs/dbraw/zinc/05/85/99/573058599.db2.gz BQDXTFYYJNYSRY-NSHDSACASA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1C[C@@]1(C)OC(=O)CCC1CC1 308250173 573058924 /nfs/dbraw/zinc/05/89/24/573058924.db2.gz ARHDNSDTGAVILW-LDYMZIIASA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@H]1CCCOC1 308487856 573058669 /nfs/dbraw/zinc/05/86/69/573058669.db2.gz PNNZREGXCMEGEI-QWRGUYRKSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]1OC(C)(C)C 85505394 573058670 /nfs/dbraw/zinc/05/86/70/573058670.db2.gz YOUDEZZWUNGWMT-MWLCHTKSSA-N 0 0 184.279 2.559 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1CCCOC1 308487858 573058787 /nfs/dbraw/zinc/05/87/87/573058787.db2.gz PNNZREGXCMEGEI-WDEREUQCSA-N 0 0 198.306 2.664 10 0 AFAERN CC[C@@H]1CCC[C@]1(C)C(C)=O 238262965 573058801 /nfs/dbraw/zinc/05/88/01/573058801.db2.gz JVULLYLMVRQAIG-NXEZZACHSA-N 0 0 154.253 2.792 10 0 AFAERN CC/C=C/COC(=O)C1CCCC1 308240098 573059013 /nfs/dbraw/zinc/05/90/13/573059013.db2.gz SJJGVUZSDOLUJE-ZZXKWVIFSA-N 0 0 182.263 2.686 10 0 AFAERN CCCOc1cc[nH]c(=S)c1C 114187699 573059046 /nfs/dbraw/zinc/05/90/46/573059046.db2.gz XCNVKKXSKSGLBQ-UHFFFAOYSA-N 0 0 183.276 2.841 10 0 AFAERN CCc1ccc(Cl)c2cncn12 238274769 573059831 /nfs/dbraw/zinc/05/98/31/573059831.db2.gz LEGLGLJLTQRYIT-UHFFFAOYSA-N 0 0 180.638 2.550 10 0 AFAERN CC[C@H](C)[C@@H]1C=CC[C@@H](CO)C1 238274514 573059334 /nfs/dbraw/zinc/05/93/34/573059334.db2.gz YJZSRIKRZWJYTH-HBNTYKKESA-N 0 0 168.280 2.607 10 0 AFAERN CC(C)C[C@@H](C)C(=O)[C@@H]1CCCOC1 308487853 573059346 /nfs/dbraw/zinc/05/93/46/573059346.db2.gz PNNZREGXCMEGEI-GHMZBOCLSA-N 0 0 198.306 2.664 10 0 AFAERN CCC[C@H]1CC(=C(C)C)[C@H](O)C1 238274545 573059395 /nfs/dbraw/zinc/05/93/95/573059395.db2.gz LTXGXFBIVNNLNT-GXSJLCMTSA-N 0 0 168.280 2.894 10 0 AFAERN CCC1([C@H](O)Cc2cccs2)CC1 308240904 573059586 /nfs/dbraw/zinc/05/95/86/573059586.db2.gz YIHHDCJLJVJPOA-SNVBAGLBSA-N 0 0 196.315 2.842 10 0 AFAERN CCOc1cc(C)cc2cccnc12 238262958 573059626 /nfs/dbraw/zinc/05/96/26/573059626.db2.gz ODULKBSTGBCTMI-UHFFFAOYSA-N 0 0 187.242 2.942 10 0 AFAERN CC1CCC([C@H](O)c2ccc[nH]2)CC1 123541561 573059716 /nfs/dbraw/zinc/05/97/16/573059716.db2.gz PYQABWFHWGJSBU-CBINBANVSA-N 0 0 193.290 2.874 10 0 AFAERN CCn1cc(O[C@@H](C)CC(C)C)cn1 308487831 573059762 /nfs/dbraw/zinc/05/97/62/573059762.db2.gz PMRAAHMOHVLPDP-JTQLQIEISA-N 0 0 196.294 2.716 10 0 AFAERN CC[C@@H]1CCC[C@@H]2C(=O)CC[C@@H]21 238262908 573059774 /nfs/dbraw/zinc/05/97/74/573059774.db2.gz IVDLMRQJIHQGNO-BBBLOLIVSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(C)(C)c1ccccc1N 114148566 573059791 /nfs/dbraw/zinc/05/97/91/573059791.db2.gz ZFHFPBACSYASEB-UHFFFAOYSA-N 0 0 163.264 2.956 10 0 AFAERN CC1CCC([C@@H](O)c2cc[nH]c2)CC1 123542191 573059937 /nfs/dbraw/zinc/05/99/37/573059937.db2.gz GSHNPXCDIGUHMY-RTYFJBAXSA-N 0 0 193.290 2.874 10 0 AFAERN CCOc1cc(C)cc(C)c1NC 238262882 573060052 /nfs/dbraw/zinc/06/00/52/573060052.db2.gz NYSTZWIKGJKEOR-UHFFFAOYSA-N 0 0 179.263 2.744 10 0 AFAERN CC[C@@H](Nc1ccccc1C)[C@H](C)O 238263412 573060071 /nfs/dbraw/zinc/06/00/71/573060071.db2.gz WWAWBNAUYQCNOR-WDEREUQCSA-N 0 0 193.290 2.566 10 0 AFAERN CC(C)(CF)c1ccccc1C=O 257938612 573060170 /nfs/dbraw/zinc/06/01/70/573060170.db2.gz UNMOYRPIQAUZJH-UHFFFAOYSA-N 0 0 180.222 2.746 10 0 AFAERN c1cc(CNc2ccsc2)ccn1 85527747 573060296 /nfs/dbraw/zinc/06/02/96/573060296.db2.gz YNRHDYLUOLERQP-UHFFFAOYSA-N 0 0 190.271 2.755 10 0 AFAERN CCCc1cc(C(C)=O)cc(C)c1O 238274425 573060531 /nfs/dbraw/zinc/06/05/31/573060531.db2.gz HXRPUKGHHCQPGR-UHFFFAOYSA-N 0 0 192.258 2.856 10 0 AFAERN CC[C@@H]1Cc2cc(C)ccc2[C@@H]1O 238274000 573060762 /nfs/dbraw/zinc/06/07/62/573060762.db2.gz PBITUKCCHDCMFP-BXKDBHETSA-N 0 0 176.259 2.611 10 0 AFAERN Nc1cccc(-c2ccccc2)c1O 114099932 573060855 /nfs/dbraw/zinc/06/08/55/573060855.db2.gz UDVRKKAWBVVSAM-UHFFFAOYSA-N 0 0 185.226 2.641 10 0 AFAERN CC1CCC([C@H](O)c2cc[nH]c2)CC1 123541983 573060964 /nfs/dbraw/zinc/06/09/64/573060964.db2.gz GSHNPXCDIGUHMY-CBINBANVSA-N 0 0 193.290 2.874 10 0 AFAERN CC[C@H]1C[C@]1(O)C(C1CC1)C1CC1 308241932 573061010 /nfs/dbraw/zinc/06/10/10/573061010.db2.gz ZBKKSCMLGVWNMU-CMPLNLGQSA-N 0 0 180.291 2.584 10 0 AFAERN CCCCC[C@@H](C)Nc1c[nH]cn1 308244254 573061070 /nfs/dbraw/zinc/06/10/70/573061070.db2.gz UKQSZKMBBDYFCW-SECBINFHSA-N 0 0 181.283 2.790 10 0 AFAERN CC[C@@H]1Cc2cc(C)ccc2[C@H]1O 238274013 573061127 /nfs/dbraw/zinc/06/11/27/573061127.db2.gz PBITUKCCHDCMFP-SKDRFNHKSA-N 0 0 176.259 2.611 10 0 AFAERN CC[C@]1(C)C(=O)CCC[C@@H]1C 238274257 573061166 /nfs/dbraw/zinc/06/11/66/573061166.db2.gz IUCOSMIOBRUWJG-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN C=C=C([C@@H](O)[C@H](C)CC)[Si](C)(C)C 308242720 573061726 /nfs/dbraw/zinc/06/17/26/573061726.db2.gz ZQHMWCMNOKTDCI-KOLCDFICSA-N 0 0 198.382 2.982 10 0 AFAERN CSc1cc[nH]c(=S)c1C 114188630 573061980 /nfs/dbraw/zinc/06/19/80/573061980.db2.gz JQCWTFSPPQTICW-UHFFFAOYSA-N 0 0 171.290 2.775 10 0 AFAERN CC/C=C/COC(=O)/C=C\CCC 308244786 573062212 /nfs/dbraw/zinc/06/22/12/573062212.db2.gz URLMFOSFCNTXBJ-FFELTBSMSA-N 0 0 182.263 2.852 10 0 AFAERN Cc1cccc2c1NC[C@H](C)[C@H](C)N2 235699722 573062553 /nfs/dbraw/zinc/06/25/53/573062553.db2.gz GXDRXJHBHANERX-UWVGGRQHSA-N 0 0 190.290 2.857 10 0 AFAERN c1c[nH]c(CNc2ccsc2)c1 85527777 573062609 /nfs/dbraw/zinc/06/26/09/573062609.db2.gz MIBQCHDRKRFPEG-UHFFFAOYSA-N 0 0 178.260 2.688 10 0 AFAERN CC(C)(C)O/C=C/Cl 141863099 573062650 /nfs/dbraw/zinc/06/26/50/573062650.db2.gz AMBNTSVOZIUZDL-SNAWJCMRSA-N 0 0 134.606 2.512 10 0 AFAERN COc1ccc(C2CCCCC2)nn1 259320206 573062699 /nfs/dbraw/zinc/06/26/99/573062699.db2.gz DMTDITAGXXCQMT-UHFFFAOYSA-N 0 0 192.262 2.533 10 0 AFAERN Cc1cccc2c1NC[C@H](C)[C@@H](C)N2 235699707 573062819 /nfs/dbraw/zinc/06/28/19/573062819.db2.gz GXDRXJHBHANERX-VHSXEESVSA-N 0 0 190.290 2.857 10 0 AFAERN CC[C@@H]1C[C@@]1(O)C(C1CC1)C1CC1 308241939 573062837 /nfs/dbraw/zinc/06/28/37/573062837.db2.gz ZBKKSCMLGVWNMU-PWSUYJOCSA-N 0 0 180.291 2.584 10 0 AFAERN CCC/C=C/C[C@@H](O)CC 141885494 573063539 /nfs/dbraw/zinc/06/35/39/573063539.db2.gz VGEQNNXHWYORJH-UCUJLANTSA-N 0 0 142.242 2.504 10 0 AFAERN CCC/C=C/C[C@H](O)CC 141885303 573063624 /nfs/dbraw/zinc/06/36/24/573063624.db2.gz VGEQNNXHWYORJH-XCODYQFDSA-N 0 0 142.242 2.504 10 0 AFAERN O[C@H](C1CCC1)C(C1CC1)C1CC1 308242661 573064024 /nfs/dbraw/zinc/06/40/24/573064024.db2.gz ZMJMYBBPZSMONI-GFCCVEGCSA-N 0 0 180.291 2.584 10 0 AFAERN CCC[C@H](O)[C@@H]1C=CCCC1 238265000 573064039 /nfs/dbraw/zinc/06/40/39/573064039.db2.gz MATBUYKZUMIADP-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CSCCCNc1ccsc1 85528372 573067896 /nfs/dbraw/zinc/06/78/96/573067896.db2.gz KEVBIUWRTLGGIB-UHFFFAOYSA-N 0 0 187.333 2.913 10 0 AFAERN c1cc(NCC2CC2)cs1 85527589 573064108 /nfs/dbraw/zinc/06/41/08/573064108.db2.gz FAPXZWCFPNNBEJ-UHFFFAOYSA-N 0 0 153.250 2.570 10 0 AFAERN CC[C@H](F)COc1ccnc(C)c1 308244397 573064137 /nfs/dbraw/zinc/06/41/37/573064137.db2.gz UMXPMAATTIBMFL-VIFPVBQESA-N 0 0 183.226 2.517 10 0 AFAERN CCO[C@@H]1CCOc2ccccc21 238264100 573064326 /nfs/dbraw/zinc/06/43/26/573064326.db2.gz CKSZQPYOCYRWDX-LLVKDONJSA-N 0 0 178.231 2.547 10 0 AFAERN CCC[C@H](O)[C@@H]1C[C@@H](C)C=C[C@@H]1C 238263971 573064385 /nfs/dbraw/zinc/06/43/85/573064385.db2.gz IPURYABYXDPTKV-YFKTTZPYSA-N 0 0 182.307 2.996 10 0 AFAERN Cc1c[nH]c2c1CCCCC2 104606567 573064424 /nfs/dbraw/zinc/06/44/24/573064424.db2.gz NIFZRBWEHBONRD-UHFFFAOYSA-N 0 0 149.237 2.592 10 0 AFAERN CCNc1cc2ccccc2cc1O 238263719 573064706 /nfs/dbraw/zinc/06/47/06/573064706.db2.gz YZDRVZGKQRCEOG-UHFFFAOYSA-N 0 0 187.242 2.977 10 0 AFAERN Cc1cc(C[C@H](C)O)cc(C)c1C 257939313 573064735 /nfs/dbraw/zinc/06/47/35/573064735.db2.gz CWDOKIGLXDQFSM-JTQLQIEISA-N 0 0 178.275 2.535 10 0 AFAERN CC[C@H]1CCC(=O)[C@H](C)CC1 238263980 573064922 /nfs/dbraw/zinc/06/49/22/573064922.db2.gz HFXKPCNUWYTALL-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CC/C=C/COC(=O)/C=C/CCC 308244785 573065055 /nfs/dbraw/zinc/06/50/55/573065055.db2.gz URLMFOSFCNTXBJ-CDJQDVQCSA-N 0 0 182.263 2.852 10 0 AFAERN CC/C=C\COC(=O)/C=C/CCC 308244787 573065071 /nfs/dbraw/zinc/06/50/71/573065071.db2.gz URLMFOSFCNTXBJ-MKKAVFGOSA-N 0 0 182.263 2.852 10 0 AFAERN Clc1ccc2c(c1)OCCCN2 88077675 573065138 /nfs/dbraw/zinc/06/51/38/573065138.db2.gz MMQRNIDZYSDNPQ-UHFFFAOYSA-N 0 0 183.638 2.534 10 0 AFAERN CCCCc1cccc(NC#N)c1 238265117 573065141 /nfs/dbraw/zinc/06/51/41/573065141.db2.gz WRNBOEUKPRXOJD-UHFFFAOYSA-N 0 0 174.247 2.922 10 0 AFAERN CC[C@H]1CCC(=O)[C@@H](C)CC1 238265310 573065535 /nfs/dbraw/zinc/06/55/35/573065535.db2.gz HFXKPCNUWYTALL-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN c1cc(N[C@@H]2CCSC2)cs1 85528919 573065547 /nfs/dbraw/zinc/06/55/47/573065547.db2.gz MFQWSDBFUUDBEW-MRVPVSSYSA-N 0 0 185.317 2.666 10 0 AFAERN C[C@@H]1C[C@H](Nc2ccsc2)CCO1 85529031 573065585 /nfs/dbraw/zinc/06/55/85/573065585.db2.gz SDKQGQVKWLBSFO-RKDXNWHRSA-N 0 0 197.303 2.728 10 0 AFAERN c1cc(NCc2cncs2)cs1 85529215 573065618 /nfs/dbraw/zinc/06/56/18/573065618.db2.gz KNQUPIPHIFICCP-UHFFFAOYSA-N 0 0 196.300 2.817 10 0 AFAERN CCNc1ccc2sccc2n1 85535493 573065706 /nfs/dbraw/zinc/06/57/06/573065706.db2.gz JQGPZXMOUJWHKD-UHFFFAOYSA-N 0 0 178.260 2.728 10 0 AFAERN C=Cc1ccc(C)nc1Cl 209756274 573065753 /nfs/dbraw/zinc/06/57/53/573065753.db2.gz XBWOVMBUUBHUMC-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN C=C=C(C1CCCC1)[C@H](O)CC 238265470 573065765 /nfs/dbraw/zinc/06/57/65/573065765.db2.gz NFWAQHMYPQDRMI-LLVKDONJSA-N 0 0 166.264 2.659 10 0 AFAERN C[C@H]1C[C@H](Nc2ccsc2)CCO1 85529034 573065779 /nfs/dbraw/zinc/06/57/79/573065779.db2.gz SDKQGQVKWLBSFO-DTWKUNHWSA-N 0 0 197.303 2.728 10 0 AFAERN CC(=O)CCC(=O)C(C(C)C)C(C)C 308495010 573065810 /nfs/dbraw/zinc/06/58/10/573065810.db2.gz SMVPYTAWVASNFU-UHFFFAOYSA-N 0 0 198.306 2.853 10 0 AFAERN C=C=C(c1ccccc1)[C@H](O)CC 238265491 573065841 /nfs/dbraw/zinc/06/58/41/573065841.db2.gz YBXORGZJMAGEGV-GFCCVEGCSA-N 0 0 174.243 2.626 10 0 AFAERN OCc1c2ccoc2cc2ccoc12 259321817 573065863 /nfs/dbraw/zinc/06/58/63/573065863.db2.gz OEEBFAKYWKXKAU-UHFFFAOYSA-N 0 0 188.182 2.671 10 0 AFAERN CCC(=O)O[C@H]1CCC[C@H](CC)C1 308246587 573065955 /nfs/dbraw/zinc/06/59/55/573065955.db2.gz WMEAPWXGHBWCJP-UWVGGRQHSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)Sc1cccc(C=O)c1 85536540 573065967 /nfs/dbraw/zinc/06/59/67/573065967.db2.gz GTGFHGUNINJNBY-UHFFFAOYSA-N 0 0 180.272 3.000 10 0 AFAERN c1cc(NCc2cscn2)cs1 85528550 573066055 /nfs/dbraw/zinc/06/60/55/573066055.db2.gz SGIPFMJKSDHKPH-UHFFFAOYSA-N 0 0 196.300 2.817 10 0 AFAERN C[C@@H]1CN=C(Nc2ccsc2)S1 85535009 573066076 /nfs/dbraw/zinc/06/60/76/573066076.db2.gz UYPHFYMFJYIDGT-ZCFIWIBFSA-N 0 0 198.316 2.651 10 0 AFAERN O=Cc1cccc(SC(F)F)c1 85536513 573066101 /nfs/dbraw/zinc/06/61/01/573066101.db2.gz MYHKOCKWVBSXDY-UHFFFAOYSA-N 0 0 188.198 2.814 10 0 AFAERN CCC[C@@H]1C[C@@H]1c1nnc(CC)o1 308244969 573066369 /nfs/dbraw/zinc/06/63/69/573066369.db2.gz UXRNFGQVXBSUKK-SFYZADRCSA-N 0 0 180.251 2.536 10 0 AFAERN CCC[C@H]1C=C(C)CC(=O)C1 238265062 573066179 /nfs/dbraw/zinc/06/61/79/573066179.db2.gz JVFLSPNYBLXFGP-VIFPVBQESA-N 0 0 152.237 2.712 10 0 AFAERN CC(=O)C[C@H](F)C1CCCCC1 257939625 573066190 /nfs/dbraw/zinc/06/61/90/573066190.db2.gz UTOGVLVLARWKTJ-JTQLQIEISA-N 0 0 172.243 2.884 10 0 AFAERN CCCc1cc(=O)c2sccc2[nH]1 85535258 573066195 /nfs/dbraw/zinc/06/61/95/573066195.db2.gz XFELMMVXJHEURF-UHFFFAOYSA-N 0 0 193.271 2.542 10 0 AFAERN CCCOc1cccc2c1C=C[C@@H]2O 238264671 573066209 /nfs/dbraw/zinc/06/62/09/573066209.db2.gz YGMTZIJDBBFPOS-NSHDSACASA-N 0 0 190.242 2.536 10 0 AFAERN CCC[C@@H](C(=O)OC1CC1)C(C)C 308247136 573066297 /nfs/dbraw/zinc/06/62/97/573066297.db2.gz XCVIMFKRIHSMLS-SNVBAGLBSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@@H](C)OC(=O)/C=C/C1CCC1 308245608 573066618 /nfs/dbraw/zinc/06/66/18/573066618.db2.gz VLSIASKNBNZORH-FCZSHJHJSA-N 0 0 182.263 2.684 10 0 AFAERN CCC(CC)OC(=O)/C=C\C1CC1 308245582 573066415 /nfs/dbraw/zinc/06/64/15/573066415.db2.gz VLAAWZXBAZOQIM-FPLPWBNLSA-N 0 0 182.263 2.684 10 0 AFAERN Cc1cc2cccc(C(C)(C)O)c2[nH]1 257939253 573066503 /nfs/dbraw/zinc/06/65/03/573066503.db2.gz DJGJETWBMRXNHU-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN CC/C=C\C(=O)NC(C)(C)C(C)C 308245605 573066506 /nfs/dbraw/zinc/06/65/06/573066506.db2.gz VLNSVBREFRGFRE-FPLPWBNLSA-N 0 0 183.295 2.503 10 0 AFAERN C[C@@H](Nc1ccsc1)C1CC1 85528008 573066552 /nfs/dbraw/zinc/06/65/52/573066552.db2.gz XITKGZLDJOJAAM-SSDOTTSWSA-N 0 0 167.277 2.959 10 0 AFAERN CCC(CC)Cn1nccc1C 128564067 573066570 /nfs/dbraw/zinc/06/65/70/573066570.db2.gz HKQJQSXZRYSFPX-UHFFFAOYSA-N 0 0 166.268 2.628 10 0 AFAERN C=Cc1nc(Cl)ccc1C 209757222 573066590 /nfs/dbraw/zinc/06/65/90/573066590.db2.gz MJDHHTITDXDLQE-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN C[C@H](Nc1ccsc1)C1CC1 85528006 573066785 /nfs/dbraw/zinc/06/67/85/573066785.db2.gz XITKGZLDJOJAAM-ZETCQYMHSA-N 0 0 167.277 2.959 10 0 AFAERN C/C=C\C(=O)N1C[C@H](CC)CC[C@@H]1C 308494137 573066883 /nfs/dbraw/zinc/06/68/83/573066883.db2.gz SFQKTYSIVANZIC-LQKZOZGNSA-N 0 0 195.306 2.600 10 0 AFAERN CC[C@@H]1CC[C@]2(CC[C@@H](CO)C2)C1 238264261 573066962 /nfs/dbraw/zinc/06/69/62/573066962.db2.gz KFOQSRITLNOYNW-UTUOFQBUSA-N 0 0 182.307 2.975 10 0 AFAERN c1cncc(CNc2ccsc2)c1 85528674 573066968 /nfs/dbraw/zinc/06/69/68/573066968.db2.gz IBYWXYWFRVLBHV-UHFFFAOYSA-N 0 0 190.271 2.755 10 0 AFAERN CCN(C)c1cccc2c1CCCN2 88100376 573066991 /nfs/dbraw/zinc/06/69/91/573066991.db2.gz PMHIXUVXIGAALY-UHFFFAOYSA-N 0 0 190.290 2.501 10 0 AFAERN CCC[C@H](C(=O)OC1CC1)C(C)C 308247135 573067067 /nfs/dbraw/zinc/06/70/67/573067067.db2.gz XCVIMFKRIHSMLS-JTQLQIEISA-N 0 0 184.279 2.764 10 0 AFAERN COc1ccccc1OC/C=C\Cl 308494834 573067070 /nfs/dbraw/zinc/06/70/70/573067070.db2.gz SVHIRARBZGPRCQ-DAXSKMNVSA-N 0 0 198.649 2.827 10 0 AFAERN c1cc(N[C@@H]2CCCOCC2)cs1 85534472 573067080 /nfs/dbraw/zinc/06/70/80/573067080.db2.gz FVAGCTBYYTYFRG-SECBINFHSA-N 0 0 197.303 2.729 10 0 AFAERN CCC[C@@H](C)[C@H](C)OC(=O)C1CC1 308247104 573067129 /nfs/dbraw/zinc/06/71/29/573067129.db2.gz XBIDXYDQTPNFEK-BDAKNGLRSA-N 0 0 184.279 2.764 10 0 AFAERN CC[C@H](O)c1ccc2cccnc2c1 88100663 573067178 /nfs/dbraw/zinc/06/71/78/573067178.db2.gz QDDDVMJDVDSUDJ-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN c1cc(NCC2CCC2)cs1 85534724 573067237 /nfs/dbraw/zinc/06/72/37/573067237.db2.gz ZYBAWQBVPRCGCY-UHFFFAOYSA-N 0 0 167.277 2.960 10 0 AFAERN C=Cc1cc(C)c2[nH]ccc2n1 209752813 573067245 /nfs/dbraw/zinc/06/72/45/573067245.db2.gz YQWJIIIIYKYNBI-UHFFFAOYSA-N 0 0 158.204 2.514 10 0 AFAERN CCNc1ccc2cccc(O)c2c1 238265599 573067250 /nfs/dbraw/zinc/06/72/50/573067250.db2.gz OZJHMAHNYDSSPX-UHFFFAOYSA-N 0 0 187.242 2.977 10 0 AFAERN CCC(=O)O[C@@H]1CCC[C@H](CC)C1 308246588 573067283 /nfs/dbraw/zinc/06/72/83/573067283.db2.gz WMEAPWXGHBWCJP-VHSXEESVSA-N 0 0 184.279 2.908 10 0 AFAERN CC[C@H](O)c1cccc2ncccc12 88100670 573067310 /nfs/dbraw/zinc/06/73/10/573067310.db2.gz GLHTZZQJBRXPSH-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN CCC(CC)Cn1ccc(C)n1 128563870 573067321 /nfs/dbraw/zinc/06/73/21/573067321.db2.gz FNRSOLVKMXMAMS-UHFFFAOYSA-N 0 0 166.268 2.628 10 0 AFAERN CCC(=O)O[C@H]1CCC[C@@H](CC)C1 308246589 573067343 /nfs/dbraw/zinc/06/73/43/573067343.db2.gz WMEAPWXGHBWCJP-ZJUUUORDSA-N 0 0 184.279 2.908 10 0 AFAERN CCC[C@H](O)[C@@H]1CC=CC[C@@H]1C 238263886 573067380 /nfs/dbraw/zinc/06/73/80/573067380.db2.gz VNPWEQKAXLSEOD-AXFHLTTASA-N 0 0 168.280 2.750 10 0 AFAERN COc1ccccc1OC/C=C/Cl 308494838 573067569 /nfs/dbraw/zinc/06/75/69/573067569.db2.gz SVHIRARBZGPRCQ-QPJJXVBHSA-N 0 0 198.649 2.827 10 0 AFAERN CCCOc1cccc2c1C=C[C@H]2O 238264709 573067390 /nfs/dbraw/zinc/06/73/90/573067390.db2.gz YGMTZIJDBBFPOS-LLVKDONJSA-N 0 0 190.242 2.536 10 0 AFAERN C[C@@H](CO)c1ccc(C2CC2)cc1 257939426 573067426 /nfs/dbraw/zinc/06/74/26/573067426.db2.gz CYVZNZZGCZYOEM-VIFPVBQESA-N 0 0 176.259 2.660 10 0 AFAERN CCC/C=C/C(=O)OCC1(C)CC1 308245658 573067427 /nfs/dbraw/zinc/06/74/27/573067427.db2.gz VNABLGDXWITOIF-AATRIKPKSA-N 0 0 182.263 2.686 10 0 AFAERN CCN(C)c1cccc2c1NCCC2 88100368 573067443 /nfs/dbraw/zinc/06/74/43/573067443.db2.gz KIXHODNEBLOUPY-UHFFFAOYSA-N 0 0 190.290 2.501 10 0 AFAERN C[C@H]1CCc2cc(O)ccc2C1 114267160 573067548 /nfs/dbraw/zinc/06/75/48/573067548.db2.gz ZUYSWSQPOQMZLO-QMMMGPOBSA-N 0 0 162.232 2.517 10 0 AFAERN c1cc(NC2=NCCCS2)cs1 85535008 573067654 /nfs/dbraw/zinc/06/76/54/573067654.db2.gz HHBDYDLCMWEIDI-UHFFFAOYSA-N 0 0 198.316 2.653 10 0 AFAERN CCCCCOC(=O)C1CC(C)C1 308245647 573067716 /nfs/dbraw/zinc/06/77/16/573067716.db2.gz VMULWSMTODFMDS-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C=Cc1cc(Cl)cc(C)n1 209753046 573067722 /nfs/dbraw/zinc/06/77/22/573067722.db2.gz GPNOHZZQAVITGC-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN COc1cc(F)cc2c1NCC2(C)C 88107848 573067793 /nfs/dbraw/zinc/06/77/93/573067793.db2.gz AHFAPXHKEIAXMX-UHFFFAOYSA-N 0 0 195.237 2.537 10 0 AFAERN c1ccc(CNc2ccsc2)nc1 85527925 573067870 /nfs/dbraw/zinc/06/78/70/573067870.db2.gz KOESOGSIKXYUMU-UHFFFAOYSA-N 0 0 190.271 2.755 10 0 AFAERN c1cc2c(cc1C1CC1)NCCC2 88107220 573067929 /nfs/dbraw/zinc/06/79/29/573067929.db2.gz OFOPBWZQQNFDJC-UHFFFAOYSA-N 0 0 173.259 2.922 10 0 AFAERN CCC[C@H]1C[C@H]1c1nnc(CC)o1 308244968 573067932 /nfs/dbraw/zinc/06/79/32/573067932.db2.gz UXRNFGQVXBSUKK-JGVFFNPUSA-N 0 0 180.251 2.536 10 0 AFAERN CC/C=C/C(=O)NC(C)(C)C(C)C 308245603 573067972 /nfs/dbraw/zinc/06/79/72/573067972.db2.gz VLNSVBREFRGFRE-BQYQJAHWSA-N 0 0 183.295 2.503 10 0 AFAERN CCC[C@@H]1C[C@H]1c1nnc(CC)o1 308244967 573067983 /nfs/dbraw/zinc/06/79/83/573067983.db2.gz UXRNFGQVXBSUKK-HTQZYQBOSA-N 0 0 180.251 2.536 10 0 AFAERN CCC/C=C\C(=O)OCC1(C)CC1 308245659 573067998 /nfs/dbraw/zinc/06/79/98/573067998.db2.gz VNABLGDXWITOIF-WAYWQWQTSA-N 0 0 182.263 2.686 10 0 AFAERN CC(=O)CCc1ccc2cccnc2c1 88107247 573067999 /nfs/dbraw/zinc/06/79/99/573067999.db2.gz QRCOTVQAYYHMCF-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN CC(=O)C[C@@H](F)C1CCCCC1 257939626 573068070 /nfs/dbraw/zinc/06/80/70/573068070.db2.gz UTOGVLVLARWKTJ-SNVBAGLBSA-N 0 0 172.243 2.884 10 0 AFAERN CCN(C)Cc1csc(C(C)C)n1 308245521 573068071 /nfs/dbraw/zinc/06/80/71/573068071.db2.gz VJHBEDDUXPEQNR-UHFFFAOYSA-N 0 0 198.335 2.718 10 0 AFAERN CNc1nc2ccsc2cc1C 85535438 573068118 /nfs/dbraw/zinc/06/81/18/573068118.db2.gz KEHVTIPXSGDEHD-UHFFFAOYSA-N 0 0 178.260 2.646 10 0 AFAERN c1coc(CNc2ccsc2)c1 85528087 573068125 /nfs/dbraw/zinc/06/81/25/573068125.db2.gz CFVZQFMMQSYFBV-UHFFFAOYSA-N 0 0 179.244 2.953 10 0 AFAERN CCCSCc1ccc(OC)cn1 308244941 573068145 /nfs/dbraw/zinc/06/81/45/573068145.db2.gz UWRKQSUCRLRPHI-UHFFFAOYSA-N 0 0 197.303 2.733 10 0 AFAERN CCC(=O)O[C@@H]1CCC[C@@H](CC)C1 308246586 573068333 /nfs/dbraw/zinc/06/83/33/573068333.db2.gz WMEAPWXGHBWCJP-NXEZZACHSA-N 0 0 184.279 2.908 10 0 AFAERN Cc1cc(C[C@@H](C)O)cc(C)c1C 257939314 573068480 /nfs/dbraw/zinc/06/84/80/573068480.db2.gz CWDOKIGLXDQFSM-SNVBAGLBSA-N 0 0 178.275 2.535 10 0 AFAERN C[C@H](CO)c1ccc(C2CC2)cc1 257939424 573068551 /nfs/dbraw/zinc/06/85/51/573068551.db2.gz CYVZNZZGCZYOEM-SECBINFHSA-N 0 0 176.259 2.660 10 0 AFAERN C[C@@H]1CCc2cc(O)ccc2C1 114267159 573068610 /nfs/dbraw/zinc/06/86/10/573068610.db2.gz ZUYSWSQPOQMZLO-MRVPVSSYSA-N 0 0 162.232 2.517 10 0 AFAERN CCC(CC)(CC)c1nnc(C)o1 308246884 573069045 /nfs/dbraw/zinc/06/90/45/573069045.db2.gz WSRQPJPLKPOGTL-UHFFFAOYSA-N 0 0 182.267 2.846 10 0 AFAERN CCOc1ncccc1NC=C(C)C 238265752 573068688 /nfs/dbraw/zinc/06/86/88/573068688.db2.gz BFCPIUUTIFTTFV-UHFFFAOYSA-N 0 0 192.262 2.816 10 0 AFAERN CCC[C@@H]1CC=C[C@H]1C(C)=O 238266040 573068811 /nfs/dbraw/zinc/06/88/11/573068811.db2.gz AUPUJNNOMXWRHO-ZJUUUORDSA-N 0 0 152.237 2.568 10 0 AFAERN CCc1cc2sccc2nc1NC 85535437 573068819 /nfs/dbraw/zinc/06/88/19/573068819.db2.gz DRJAEIBQGJVUKF-UHFFFAOYSA-N 0 0 192.287 2.900 10 0 AFAERN O=C(c1cccc2cccnc12)C1CC1 88100946 573068825 /nfs/dbraw/zinc/06/88/25/573068825.db2.gz HAOVBEVKXFUATC-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN C=Cc1ccc(C)c(Cl)n1 209756644 573068833 /nfs/dbraw/zinc/06/88/33/573068833.db2.gz VMFHSCCLVCHVPB-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN O=C(c1ccc2cccnc2c1)C1CC1 88100948 573068906 /nfs/dbraw/zinc/06/89/06/573068906.db2.gz GZFGAGYKHBWNNK-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN FC(F)(F)CNc1ccsc1 85534820 573068978 /nfs/dbraw/zinc/06/89/78/573068978.db2.gz FJXCYJKFEPZXMV-UHFFFAOYSA-N 0 0 181.182 2.722 10 0 AFAERN CCCC(=O)[C@@H](OC)c1ccccc1 128548103 573068983 /nfs/dbraw/zinc/06/89/83/573068983.db2.gz JKJYNBMYPJMSLP-LBPRGKRZSA-N 0 0 192.258 2.743 10 0 AFAERN c1cc(NCCC2CC2)cs1 85534547 573069279 /nfs/dbraw/zinc/06/92/79/573069279.db2.gz ODTSLXMBMWGLPN-UHFFFAOYSA-N 0 0 167.277 2.960 10 0 AFAERN C[C@H](Nc1ccsc1)c1cc[nH]n1 85528125 573069285 /nfs/dbraw/zinc/06/92/85/573069285.db2.gz GCSRRWCINNWSOO-ZETCQYMHSA-N 0 0 193.275 2.644 10 0 AFAERN CC1(C)CNc2c1ccc(F)c2F 88107843 573069297 /nfs/dbraw/zinc/06/92/97/573069297.db2.gz DTWAOVNKDPLPSX-UHFFFAOYSA-N 0 0 183.201 2.668 10 0 AFAERN Cc1cc(-c2ccco2)c[nH]1 104609375 573069328 /nfs/dbraw/zinc/06/93/28/573069328.db2.gz XYAZHNAPUSHKRR-UHFFFAOYSA-N 0 0 147.177 2.583 10 0 AFAERN Cc1[nH]cc2c1CCC[C@H]2C 104607854 573069334 /nfs/dbraw/zinc/06/93/34/573069334.db2.gz JWBFQSQBKYOIOR-SSDOTTSWSA-N 0 0 149.237 2.763 10 0 AFAERN CC(C)CNc1ccsc1 85528918 573069341 /nfs/dbraw/zinc/06/93/41/573069341.db2.gz ACQFJYNIWXSVRU-UHFFFAOYSA-N 0 0 155.266 2.816 10 0 AFAERN Cc1[nH]cc2c1CCC[C@@H]2C 104607860 573069375 /nfs/dbraw/zinc/06/93/75/573069375.db2.gz JWBFQSQBKYOIOR-ZETCQYMHSA-N 0 0 149.237 2.763 10 0 AFAERN c1cc(NC[C@@H]2CCCCO2)cs1 85534635 573069476 /nfs/dbraw/zinc/06/94/76/573069476.db2.gz KOJBOZGBVXLBGQ-JTQLQIEISA-N 0 0 197.303 2.729 10 0 AFAERN CC(=O)Cc1nc(C2CCC2)cs1 259322291 573069529 /nfs/dbraw/zinc/06/95/29/573069529.db2.gz RMPOMECLLGNJMV-UHFFFAOYSA-N 0 0 195.287 2.542 10 0 AFAERN O=C(c1cccc2ncccc12)C1CC1 88100950 573069611 /nfs/dbraw/zinc/06/96/11/573069611.db2.gz YZNUNGHVLIQQPR-UHFFFAOYSA-N 0 0 197.237 2.828 10 0 AFAERN CCNc1nc2c(C)cccc2o1 238267857 573069613 /nfs/dbraw/zinc/06/96/13/573069613.db2.gz PPCJXHFEVSEZQC-UHFFFAOYSA-N 0 0 176.219 2.568 10 0 AFAERN CC(C)c1ccccc1NC1COC1 82487843 573069666 /nfs/dbraw/zinc/06/96/66/573069666.db2.gz CLAPDMKUAOZRSV-UHFFFAOYSA-N 0 0 191.274 2.621 10 0 AFAERN CCN(C)c1ccc2c(c1)NCCC2 88100379 573069707 /nfs/dbraw/zinc/06/97/07/573069707.db2.gz YSWXYKMUBBTJRU-UHFFFAOYSA-N 0 0 190.290 2.501 10 0 AFAERN CC[C@@]1(C)CCCCCC1=O 238268135 573069752 /nfs/dbraw/zinc/06/97/52/573069752.db2.gz TXLBSTDKQFEMFL-JTQLQIEISA-N 0 0 154.253 2.936 10 0 AFAERN C=Cc1nc(C)ccc1Cl 209757084 573069760 /nfs/dbraw/zinc/06/97/60/573069760.db2.gz FNJCENWGHFQSJM-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN CCC[C@H]1C[C@@H]1c1nnc(CC)o1 308244970 573069775 /nfs/dbraw/zinc/06/97/75/573069775.db2.gz UXRNFGQVXBSUKK-YUMQZZPRSA-N 0 0 180.251 2.536 10 0 AFAERN CCC(CC)OC(=O)/C=C/C1CC1 308245581 573069794 /nfs/dbraw/zinc/06/97/94/573069794.db2.gz VLAAWZXBAZOQIM-BQYQJAHWSA-N 0 0 182.263 2.684 10 0 AFAERN CCC[C@H](C)C(=O)OC[C@@H](F)CC 308246367 573069882 /nfs/dbraw/zinc/06/98/82/573069882.db2.gz WGFYUXMVFRTBID-IUCAKERBSA-N 0 0 190.258 2.714 10 0 AFAERN FCc1ccc2cc[nH]c2c1 104609947 573069905 /nfs/dbraw/zinc/06/99/05/573069905.db2.gz HWCPYZHEADARJN-UHFFFAOYSA-N 0 0 149.168 2.637 10 0 AFAERN CCC[C@H](C)[C@@H](C)OC(=O)C1CC1 308247105 573069922 /nfs/dbraw/zinc/06/99/22/573069922.db2.gz XBIDXYDQTPNFEK-DTWKUNHWSA-N 0 0 184.279 2.764 10 0 AFAERN c1cc(CNc2ccsc2)co1 85528763 573069972 /nfs/dbraw/zinc/06/99/72/573069972.db2.gz PFCDHHPHSHQUOX-UHFFFAOYSA-N 0 0 179.244 2.953 10 0 AFAERN CC[C@@H]1C(=O)c2ccc(O)cc2[C@@H]1C 238268041 573070021 /nfs/dbraw/zinc/07/00/21/573070021.db2.gz RIRUMYKMPUGVKK-APPZFPTMSA-N 0 0 190.242 2.718 10 0 AFAERN CC[C@@H](O)C1=CCCc2ccccc21 238268028 573070037 /nfs/dbraw/zinc/07/00/37/573070037.db2.gz YTLGMPWEEBZANB-CYBMUJFWSA-N 0 0 188.270 2.787 10 0 AFAERN CC[C@@H]1C(=O)c2ccccc2N[C@@H]1C 238268002 573070097 /nfs/dbraw/zinc/07/00/97/573070097.db2.gz OZGNBPYJUFRQOY-BDAKNGLRSA-N 0 0 189.258 2.710 10 0 AFAERN c1cc(N[C@H]2CCSC2)cs1 85528922 573070142 /nfs/dbraw/zinc/07/01/42/573070142.db2.gz MFQWSDBFUUDBEW-QMMMGPOBSA-N 0 0 185.317 2.666 10 0 AFAERN CC[C@@]1(C)CC[C@@H](C)CC1=O 238268455 573070160 /nfs/dbraw/zinc/07/01/60/573070160.db2.gz WAGRUKKPAXUOIH-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN c1cc(NC[C@@H]2CCCOC2)cs1 85534464 573070260 /nfs/dbraw/zinc/07/02/60/573070260.db2.gz QXICRMIQQFDDIT-VIFPVBQESA-N 0 0 197.303 2.587 10 0 AFAERN O=C1CC=C(c2ccc(O)cc2)CC1 114221147 573070278 /nfs/dbraw/zinc/07/02/78/573070278.db2.gz PRNCENABYSAGEY-UHFFFAOYSA-N 0 0 188.226 2.529 10 0 AFAERN CCC[C@@H](C)[C@@H](C)OC(=O)C1CC1 308247107 573070292 /nfs/dbraw/zinc/07/02/92/573070292.db2.gz XBIDXYDQTPNFEK-RKDXNWHRSA-N 0 0 184.279 2.764 10 0 AFAERN FCCCOc1ccc(F)c(F)c1 308245150 573070408 /nfs/dbraw/zinc/07/04/08/573070408.db2.gz UZDRMAIGTBDYAJ-UHFFFAOYSA-N 0 0 190.164 2.703 10 0 AFAERN C[C@H]1CSC(Nc2ccsc2)=N1 85535013 573070433 /nfs/dbraw/zinc/07/04/33/573070433.db2.gz HNJAYNNWIGIQKS-LURJTMIESA-N 0 0 198.316 2.651 10 0 AFAERN C[C@H]1CN=C(Nc2ccsc2)S1 85535010 573070471 /nfs/dbraw/zinc/07/04/71/573070471.db2.gz UYPHFYMFJYIDGT-LURJTMIESA-N 0 0 198.316 2.651 10 0 AFAERN CC(C)c1cccc(NC2COC2)c1 82487940 573070487 /nfs/dbraw/zinc/07/04/87/573070487.db2.gz VLWQEUPDOFEWNW-UHFFFAOYSA-N 0 0 191.274 2.621 10 0 AFAERN CCC[C@@H](C)C(=O)OC[C@H](F)CC 308246368 573070500 /nfs/dbraw/zinc/07/05/00/573070500.db2.gz WGFYUXMVFRTBID-RKDXNWHRSA-N 0 0 190.258 2.714 10 0 AFAERN c1cc(NC2CCC2)cs1 85528776 573070896 /nfs/dbraw/zinc/07/08/96/573070896.db2.gz OCOAMLWQXZTQOH-UHFFFAOYSA-N 0 0 153.250 2.713 10 0 AFAERN c1csc(CNc2ccsc2)n1 85529166 573070956 /nfs/dbraw/zinc/07/09/56/573070956.db2.gz LDTWBXNRDFOPIG-UHFFFAOYSA-N 0 0 196.300 2.817 10 0 AFAERN CC(C)c1cc(=O)c2sccc2[nH]1 85535257 573070982 /nfs/dbraw/zinc/07/09/82/573070982.db2.gz VWDPEDKJNQGKFF-UHFFFAOYSA-N 0 0 193.271 2.713 10 0 AFAERN CCCS/C(=C/Cl)C(C)(C)O 222739294 573071003 /nfs/dbraw/zinc/07/10/03/573071003.db2.gz SAWJMSGOHOBBEH-VOTSOKGWSA-N 0 0 194.727 2.981 10 0 AFAERN CCCc1cc2sccc2nc1N 85535444 573071022 /nfs/dbraw/zinc/07/10/22/573071022.db2.gz NOAXLTCJAAHQLL-UHFFFAOYSA-N 0 0 192.287 2.831 10 0 AFAERN CC[C@@H](O)c1cccc2ncccc12 88100672 573071026 /nfs/dbraw/zinc/07/10/26/573071026.db2.gz GLHTZZQJBRXPSH-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN CC[C@@]1(C)CCC(=O)[C@@H](C)C1 238267891 573071075 /nfs/dbraw/zinc/07/10/75/573071075.db2.gz LDHNYSUPJSLOKN-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1CSC(Nc2ccsc2)=N1 85535012 573071307 /nfs/dbraw/zinc/07/13/07/573071307.db2.gz HNJAYNNWIGIQKS-ZCFIWIBFSA-N 0 0 198.316 2.651 10 0 AFAERN S=c1s[nH]c2ccccc12 85535987 573071095 /nfs/dbraw/zinc/07/10/95/573071095.db2.gz BOBMITPKWBEJRW-UHFFFAOYSA-N 0 0 167.258 2.585 10 0 AFAERN CCCc1[nH]c(C)cc1CC 238267642 573071125 /nfs/dbraw/zinc/07/11/25/573071125.db2.gz JGQPBPDEKNZNQJ-UHFFFAOYSA-N 0 0 151.253 2.838 10 0 AFAERN c1cc2c(c(C3CC3)c1)NCCC2 88107224 573071127 /nfs/dbraw/zinc/07/11/27/573071127.db2.gz CCQBLORIUXPWAN-UHFFFAOYSA-N 0 0 173.259 2.922 10 0 AFAERN CC(C)C[C@@H](C)[C@H](O)c1ccncc1 308489875 573071172 /nfs/dbraw/zinc/07/11/72/573071172.db2.gz QBXPHRSEMIQXAX-PWSUYJOCSA-N 0 0 193.290 2.797 10 0 AFAERN C[C@H]1C[C@@H](Nc2ccsc2)CCO1 85529038 573071192 /nfs/dbraw/zinc/07/11/92/573071192.db2.gz SDKQGQVKWLBSFO-IUCAKERBSA-N 0 0 197.303 2.728 10 0 AFAERN CCCc1[nH]c(C)cc1C 238267623 573071218 /nfs/dbraw/zinc/07/12/18/573071218.db2.gz HILIGOQYBLHGFW-UHFFFAOYSA-N 0 0 137.226 2.584 10 0 AFAERN CC[C@@]1(C)CCC[C@H](CO)C1 238268288 573071283 /nfs/dbraw/zinc/07/12/83/573071283.db2.gz LLIXKZTVFWBWRV-UWVGGRQHSA-N 0 0 156.269 2.585 10 0 AFAERN CCCc1[nH]c(C)c(C)c1C(C)=O 238267565 573071292 /nfs/dbraw/zinc/07/12/92/573071292.db2.gz KWWPOAFRGJTZTN-UHFFFAOYSA-N 0 0 179.263 2.787 10 0 AFAERN CCC(=O)c1ccc2cccnc2c1 88100935 573071295 /nfs/dbraw/zinc/07/12/95/573071295.db2.gz XKUWATALKOGKJP-UHFFFAOYSA-N 0 0 185.226 2.828 10 0 AFAERN Cn1cccc1CNc1ccsc1 85529142 573071296 /nfs/dbraw/zinc/07/12/96/573071296.db2.gz CBFPXYCHGVPZDI-UHFFFAOYSA-N 0 0 192.287 2.699 10 0 AFAERN CC/C=C/C(=O)NCC(C)(C)CC 308488910 573071361 /nfs/dbraw/zinc/07/13/61/573071361.db2.gz QJISQSHQFGPYHX-BQYQJAHWSA-N 0 0 183.295 2.505 10 0 AFAERN c1cc(NC[C@H]2CCCOC2)cs1 85534465 573071380 /nfs/dbraw/zinc/07/13/80/573071380.db2.gz QXICRMIQQFDDIT-SECBINFHSA-N 0 0 197.303 2.587 10 0 AFAERN S=c1[nH]ccn1-c1ccsc1 85534955 573071433 /nfs/dbraw/zinc/07/14/33/573071433.db2.gz MXLIKVXQWFIGNB-UHFFFAOYSA-N 0 0 182.273 2.596 10 0 AFAERN c1ccc2cc(NC3COC3)ccc2c1 82488035 573071906 /nfs/dbraw/zinc/07/19/06/573071906.db2.gz XNYDBMRELQSDCM-UHFFFAOYSA-N 0 0 199.253 2.651 10 0 AFAERN CC[C@@]1(C)CCCC(=O)[C@H]1C 238268046 573071686 /nfs/dbraw/zinc/07/16/86/573071686.db2.gz OKGQKCMHFMUWRK-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)C[C@@H](F)c1cccc(C)c1 257939677 573071722 /nfs/dbraw/zinc/07/17/22/573071722.db2.gz UVLVADWSUKYJMS-LLVKDONJSA-N 0 0 180.222 2.985 10 0 AFAERN CC[C@@H](O)C1=C([Si](C)(C)C)C1(C)C 238267879 573071738 /nfs/dbraw/zinc/07/17/38/573071738.db2.gz UXNWGQDBZQKDMI-MRVPVSSYSA-N 0 0 198.382 2.971 10 0 AFAERN OC1(C[C@H]2CCCS2)CCCC1 257939743 573071833 /nfs/dbraw/zinc/07/18/33/573071833.db2.gz HWDHGXSTBKZZBX-SECBINFHSA-N 0 0 186.320 2.577 10 0 AFAERN CC(C)=CCC(=O)OC(C)(C)C 145840109 573072452 /nfs/dbraw/zinc/07/24/52/573072452.db2.gz PRGPCGGCFOOXPE-UHFFFAOYSA-N 0 0 170.252 2.684 10 0 AFAERN CC[C@@]1(C)CCC(=O)[C@H](C)C1 238267904 573072582 /nfs/dbraw/zinc/07/25/82/573072582.db2.gz LDHNYSUPJSLOKN-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CCC1=C([C@H](O)CC)CCC1 238267806 573073127 /nfs/dbraw/zinc/07/31/27/573073127.db2.gz SGQBSOCSXVJJHD-SNVBAGLBSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@@]1(O)C(F)F 88132575 573072685 /nfs/dbraw/zinc/07/26/85/573072685.db2.gz UDYLHOWMKCCMEQ-XVKPBYJWSA-N 0 0 192.249 2.829 10 0 AFAERN CC[C@]1(O)CCC(C)(C)C[C@H]1C 88132263 573072648 /nfs/dbraw/zinc/07/26/48/573072648.db2.gz HOUOTXXWWPXXDB-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@]1(O)C(F)F 88132569 573072876 /nfs/dbraw/zinc/07/28/76/573072876.db2.gz UDYLHOWMKCCMEQ-OIBJUYFYSA-N 0 0 192.249 2.829 10 0 AFAERN CC(C)(C)c1cccc2c1CCO2 114384390 573072910 /nfs/dbraw/zinc/07/29/10/573072910.db2.gz AETUYJSCIOEGAM-UHFFFAOYSA-N 0 0 176.259 2.919 10 0 AFAERN C[C@@H]1CC(C)(C)CC[C@@]1(C)O 88132393 573072947 /nfs/dbraw/zinc/07/29/47/573072947.db2.gz BRWDICFATDIMIX-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]2CC=CC[C@@H]12 238268680 573073034 /nfs/dbraw/zinc/07/30/34/573073034.db2.gz UCPXKWYCVMAEFL-KXUCPTDWSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)C[C@H](C)[C@H](O)c1ccncc1 308489874 573073083 /nfs/dbraw/zinc/07/30/83/573073083.db2.gz QBXPHRSEMIQXAX-JQWIXIFHSA-N 0 0 193.290 2.797 10 0 AFAERN CC[C@@]1(C)CCCC(=O)[C@@H]1C 238268020 573073163 /nfs/dbraw/zinc/07/31/63/573073163.db2.gz OKGQKCMHFMUWRK-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](F)COC(=O)CC(C)(C)C 308247402 573073200 /nfs/dbraw/zinc/07/32/00/573073200.db2.gz XMMBEAXLKOICDS-MRVPVSSYSA-N 0 0 190.258 2.714 10 0 AFAERN CCCc1cc(CC)c[nH]1 104613604 573073296 /nfs/dbraw/zinc/07/32/96/573073296.db2.gz JFEGMFJMHMTWPS-UHFFFAOYSA-N 0 0 137.226 2.530 10 0 AFAERN Cc1c[nH]c(-c2ccc(F)cc2C)n1 88124694 573073339 /nfs/dbraw/zinc/07/33/39/573073339.db2.gz SQTVJPGNAIRFEQ-UHFFFAOYSA-N 0 0 190.221 2.833 10 0 AFAERN Fc1cscc1Br 114374939 573073437 /nfs/dbraw/zinc/07/34/37/573073437.db2.gz GUPMEQIJADVGPI-UHFFFAOYSA-N 0 0 181.029 2.650 10 0 AFAERN CC(C)c1ccc(NC2COC2)cc1 82487862 573073480 /nfs/dbraw/zinc/07/34/80/573073480.db2.gz QHHJYRBHGPSKOF-UHFFFAOYSA-N 0 0 191.274 2.621 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]2CCCC[C@H]21 238268734 573073592 /nfs/dbraw/zinc/07/35/92/573073592.db2.gz KFVABXQTUAXRFS-LPEHRKFASA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccn2c(C)nc(Cl)c2c1 258475604 573073515 /nfs/dbraw/zinc/07/35/15/573073515.db2.gz YOGPVYSCRDPTHT-UHFFFAOYSA-N 0 0 180.638 2.605 10 0 AFAERN CC[C@@]1(O)CCC(C)(C)C[C@@H]1C 88132262 573073737 /nfs/dbraw/zinc/07/37/37/573073737.db2.gz HOUOTXXWWPXXDB-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC(=O)c1cc2c(s1)CCSC2 88121717 573074006 /nfs/dbraw/zinc/07/40/06/573074006.db2.gz VGWSOOOBXFVJFI-UHFFFAOYSA-N 0 0 198.312 2.740 10 0 AFAERN CC[C@H](F)COC(=O)CC(C)(C)C 308247403 573074163 /nfs/dbraw/zinc/07/41/63/573074163.db2.gz XMMBEAXLKOICDS-QMMMGPOBSA-N 0 0 190.258 2.714 10 0 AFAERN CCC[C@@H](C)[C@H](NN)c1cccs1 128592311 573074176 /nfs/dbraw/zinc/07/41/76/573074176.db2.gz TVONZBCIKSYMLL-SCZZXKLOSA-N 0 0 198.335 2.689 10 0 AFAERN CCc1cnc(Cl)n1C(C)C 258475901 573074318 /nfs/dbraw/zinc/07/43/18/573074318.db2.gz IEXAEXPMPFMAKD-UHFFFAOYSA-N 0 0 172.659 2.680 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]2CC=CC[C@H]21 238268686 573074345 /nfs/dbraw/zinc/07/43/45/573074345.db2.gz UCPXKWYCVMAEFL-LPEHRKFASA-N 0 0 164.248 2.568 10 0 AFAERN CC[C@]1(O)CCC(C)(C)C[C@@H]1C 88132261 573074475 /nfs/dbraw/zinc/07/44/75/573074475.db2.gz HOUOTXXWWPXXDB-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](O)C1=C(Cl)CCCC1 238267821 573074583 /nfs/dbraw/zinc/07/45/83/573074583.db2.gz LGAJBJQHIXMUCX-SECBINFHSA-N 0 0 174.671 2.824 10 0 AFAERN CCNc1nc2cc(Cl)ccc2o1 238268070 573074598 /nfs/dbraw/zinc/07/45/98/573074598.db2.gz WBHJIEUGXHKOHA-UHFFFAOYSA-N 0 0 196.637 2.913 10 0 AFAERN CCC/C(C)=C/C(=O)OC1CCC1 308247413 573074616 /nfs/dbraw/zinc/07/46/16/573074616.db2.gz XNGGLIJPVOIOAA-CMDGGOBGSA-N 0 0 182.263 2.829 10 0 AFAERN Oc1ccc(Cl)cc1OC(F)F 114378604 573074780 /nfs/dbraw/zinc/07/47/80/573074780.db2.gz XXXULNQDTMIWJP-UHFFFAOYSA-N 0 0 194.564 2.647 10 0 AFAERN CCCc1c(OC)cc(C)c(O)c1C 238269014 573074793 /nfs/dbraw/zinc/07/47/93/573074793.db2.gz QJSWWKAAFKICOW-UHFFFAOYSA-N 0 0 194.274 2.970 10 0 AFAERN OC1(C[C@@H]2CCCS2)CCCC1 257939745 573074839 /nfs/dbraw/zinc/07/48/39/573074839.db2.gz HWDHGXSTBKZZBX-VIFPVBQESA-N 0 0 186.320 2.577 10 0 AFAERN CC[C@@]1(C)CC[C@H](C)CC1=O 238268723 573074868 /nfs/dbraw/zinc/07/48/68/573074868.db2.gz WAGRUKKPAXUOIH-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN CCC/C(C)=C\C(=O)OC1CCC1 308247414 573074917 /nfs/dbraw/zinc/07/49/17/573074917.db2.gz XNGGLIJPVOIOAA-HJWRWDBZSA-N 0 0 182.263 2.829 10 0 AFAERN COc1nc(C2CCCCC2)c(C)[nH]1 258475351 573074958 /nfs/dbraw/zinc/07/49/58/573074958.db2.gz BDKPIHIRHVPMIF-UHFFFAOYSA-N 0 0 194.278 2.774 10 0 AFAERN CCCCc1ccc(N)c(F)c1 143918229 573074962 /nfs/dbraw/zinc/07/49/62/573074962.db2.gz KWBLIAFXYNAFSA-UHFFFAOYSA-N 0 0 167.227 2.751 10 0 AFAERN CC(=O)C[C@H](F)c1cccc(C)c1 257939679 573075127 /nfs/dbraw/zinc/07/51/27/573075127.db2.gz UVLVADWSUKYJMS-NSHDSACASA-N 0 0 180.222 2.985 10 0 AFAERN Cc1ccc(CC(=O)CC2CC2)cc1 49730929 573075129 /nfs/dbraw/zinc/07/51/29/573075129.db2.gz SVBYTAUSZYHOGA-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN COCc1cc2c(C)cccc2n1C 257940046 573075130 /nfs/dbraw/zinc/07/51/30/573075130.db2.gz VFPGPELURMLOBD-UHFFFAOYSA-N 0 0 189.258 2.633 10 0 AFAERN CC(C)=CCOC(=O)C(C)=C(C)C 308254064 573075163 /nfs/dbraw/zinc/07/51/63/573075163.db2.gz HUDRCRPWQOVMEW-UHFFFAOYSA-N 0 0 182.263 2.852 10 0 AFAERN CC[C@@]1(C)C[C@H](O)CC(C)(C)C1 238270567 573076183 /nfs/dbraw/zinc/07/61/83/573076183.db2.gz PIMJGTAMZOVBHJ-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CC(C)(C)CC[C@@]1(O)C(F)F 88132572 573075221 /nfs/dbraw/zinc/07/52/21/573075221.db2.gz UDYLHOWMKCCMEQ-XCBNKYQSSA-N 0 0 192.249 2.829 10 0 AFAERN CCC[C@H](C)[C@H](NN)c1cccs1 128592578 573075303 /nfs/dbraw/zinc/07/53/03/573075303.db2.gz TVONZBCIKSYMLL-WPRPVWTQSA-N 0 0 198.335 2.689 10 0 AFAERN c1ccc(-c2ccc3ocnc3n2)cc1 259323260 573075418 /nfs/dbraw/zinc/07/54/18/573075418.db2.gz WSEKPRLXPRNPRH-UHFFFAOYSA-N 0 0 196.209 2.890 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@@]1(C)O 88132395 573075505 /nfs/dbraw/zinc/07/55/05/573075505.db2.gz BRWDICFATDIMIX-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1CC(C)(C)CC[C@]1(C)O 88132400 573075512 /nfs/dbraw/zinc/07/55/12/573075512.db2.gz BRWDICFATDIMIX-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1CC(C)(C)CC[C@]1(O)C1CC1 88132454 573075652 /nfs/dbraw/zinc/07/56/52/573075652.db2.gz JDITUXVWKXFFKF-BXKDBHETSA-N 0 0 182.307 2.974 10 0 AFAERN CCC[C@H](C)[C@@H](NN)c1cccs1 128592990 573075724 /nfs/dbraw/zinc/07/57/24/573075724.db2.gz TVONZBCIKSYMLL-WCBMZHEXSA-N 0 0 198.335 2.689 10 0 AFAERN CCCc1c(C=O)[nH]c2ccccc12 238269545 573075807 /nfs/dbraw/zinc/07/58/07/573075807.db2.gz JMCLIHBSFSYQLV-UHFFFAOYSA-N 0 0 187.242 2.933 10 0 AFAERN CC/C=C\C(=O)NCC(C)(C)CC 308488911 573075849 /nfs/dbraw/zinc/07/58/49/573075849.db2.gz QJISQSHQFGPYHX-FPLPWBNLSA-N 0 0 183.295 2.505 10 0 AFAERN Cc1ccc([C@H](C)O)c(OC(C)C)c1 82502359 573076463 /nfs/dbraw/zinc/07/64/63/573076463.db2.gz PKJROOOWCQZOET-JTQLQIEISA-N 0 0 194.274 2.836 10 0 AFAERN CC(C)CC[C@@](C)(O)C1=COCCC1 308492019 573076464 /nfs/dbraw/zinc/07/64/64/573076464.db2.gz RDRHBULBBIMBBR-GFCCVEGCSA-N 0 0 198.306 2.868 10 0 AFAERN C/C=C/c1ccccc1NC 104614324 573075932 /nfs/dbraw/zinc/07/59/32/573075932.db2.gz INANENBEZXUXFC-ZZXKWVIFSA-N 0 0 147.221 2.761 10 0 AFAERN CCC(CC)c1cc[nH]c1 104615389 573075956 /nfs/dbraw/zinc/07/59/56/573075956.db2.gz VWWACRATZBUVSP-UHFFFAOYSA-N 0 0 137.226 2.918 10 0 AFAERN C[C@@H]1CC(C)(C)CC[C@]1(O)C(F)F 88132566 573076192 /nfs/dbraw/zinc/07/61/92/573076192.db2.gz UDYLHOWMKCCMEQ-GMSGAONNSA-N 0 0 192.249 2.829 10 0 AFAERN OCc1cc2c3c(cccc3c1)C=C2 143921451 573076208 /nfs/dbraw/zinc/07/62/08/573076208.db2.gz LZQPTSRHLOQKSZ-UHFFFAOYSA-N 0 0 182.222 2.816 10 0 AFAERN CCc1cc(C2CC2)ccc1N 88125631 573076296 /nfs/dbraw/zinc/07/62/96/573076296.db2.gz SBHXKLMUMCAZCW-UHFFFAOYSA-N 0 0 161.248 2.709 10 0 AFAERN S=C1CCCc2ccccc2N1 114409377 573076340 /nfs/dbraw/zinc/07/63/40/573076340.db2.gz BNQOMMDBHRNFQC-UHFFFAOYSA-N 0 0 177.272 2.762 10 0 AFAERN CCCc1c(C)cc(O)cc1C 238269176 573076322 /nfs/dbraw/zinc/07/63/22/573076322.db2.gz GEDNLDWHMFPYBB-UHFFFAOYSA-N 0 0 164.248 2.962 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]21 238270447 573076506 /nfs/dbraw/zinc/07/65/06/573076506.db2.gz SRMZVYROXRLDFU-LOKLDPHHSA-N 0 0 166.264 2.648 10 0 AFAERN CCC[C@@H](C)[C@@H](NN)c1cccs1 128592806 573076553 /nfs/dbraw/zinc/07/65/53/573076553.db2.gz TVONZBCIKSYMLL-PSASIEDQSA-N 0 0 198.335 2.689 10 0 AFAERN CC[C@@]1(C)C[C@@H](O)CC(C)(C)C1 238269934 573076588 /nfs/dbraw/zinc/07/65/88/573076588.db2.gz PIMJGTAMZOVBHJ-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCC[C@@H](O)c1ccc(F)nc1 686127279 573076657 /nfs/dbraw/zinc/07/66/57/573076657.db2.gz YORXZFDZFBEWPE-SNVBAGLBSA-N 0 0 197.253 2.834 10 0 AFAERN CCCc1nc([C@H](C)C(C)C)no1 308491866 573077066 /nfs/dbraw/zinc/07/70/66/573077066.db2.gz ROSHUKAAXJDNTC-MRVPVSSYSA-N 0 0 182.267 2.782 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1c1cccc(F)c1F 235458177 573077096 /nfs/dbraw/zinc/07/70/96/573077096.db2.gz FCZHCZHQXRWACP-SVRRBLITSA-N 0 0 196.196 2.657 10 0 AFAERN Clc1cnc(Cc2cccs2)o1 258475918 573077144 /nfs/dbraw/zinc/07/71/44/573077144.db2.gz IFFCGPYOQICUMO-UHFFFAOYSA-N 0 0 199.662 2.980 10 0 AFAERN OCc1ccc2c3c(cccc13)C=C2 114312439 573077170 /nfs/dbraw/zinc/07/71/70/573077170.db2.gz KBSNYVVAXWORRO-UHFFFAOYSA-N 0 0 182.222 2.816 10 0 AFAERN CC(C)Sc1cccc(CO)c1 85537391 573077195 /nfs/dbraw/zinc/07/71/95/573077195.db2.gz IDCAFKQTQCFQPK-UHFFFAOYSA-N 0 0 182.288 2.679 10 0 AFAERN CCC(C)(C)CC(=O)OC1CCC1 308251996 573077237 /nfs/dbraw/zinc/07/72/37/573077237.db2.gz BSIVAVMFAUUWHU-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC[C@@]1(C)C[C@]12C[C@@H](O)C2(C)C 238270721 573077380 /nfs/dbraw/zinc/07/73/80/573077380.db2.gz HMJQLGFEGHVEMT-MIMYLULJSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@@H](C)C(=O)OCC1CC=CC1 308251372 573077440 /nfs/dbraw/zinc/07/74/40/573077440.db2.gz BEYRBQZPKGJSOE-SECBINFHSA-N 0 0 182.263 2.542 10 0 AFAERN c1[nH]cc2c1C1CCC2CC1 104618153 573077540 /nfs/dbraw/zinc/07/75/40/573077540.db2.gz QKXZBLZSRUZAJH-UHFFFAOYSA-N 0 0 147.221 2.770 10 0 AFAERN CC[C@H](C)CCNc1ccc(=O)[nH]c1 394424742 573077543 /nfs/dbraw/zinc/07/75/43/573077543.db2.gz PVJNOHSNXYTVLV-VIFPVBQESA-N 0 0 194.278 2.635 10 0 AFAERN CNc1nc(-c2ccccc2F)co1 258476228 573077547 /nfs/dbraw/zinc/07/75/47/573077547.db2.gz AXRCMQSJCCMMFH-UHFFFAOYSA-N 0 0 192.193 2.522 10 0 AFAERN O=C(CC1CCCCC1)OC1CC1 224839795 573077623 /nfs/dbraw/zinc/07/76/23/573077623.db2.gz YZAMHMGPGSJBST-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CCCCC[C@H](O)c1ccc(F)nc1 686127278 573077953 /nfs/dbraw/zinc/07/79/53/573077953.db2.gz YORXZFDZFBEWPE-JTQLQIEISA-N 0 0 197.253 2.834 10 0 AFAERN Cc1ccc([C@@H](O)C2CCCC2)nc1 88135984 573077813 /nfs/dbraw/zinc/07/78/13/573077813.db2.gz RWRJSEXQAIHIJW-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN CC(C)Cc1ncc(Cl)s1 258475978 573077826 /nfs/dbraw/zinc/07/78/26/573077826.db2.gz IGCIAIFVYWYLMI-UHFFFAOYSA-N 0 0 175.684 2.995 10 0 AFAERN Cc1cc(Cl)cc([C@@]2(O)C[C@H]2C)c1 88140000 573077958 /nfs/dbraw/zinc/07/79/58/573077958.db2.gz DFPUEBNEMLZZEO-LDYMZIIASA-N 0 0 196.677 2.876 10 0 AFAERN CC(C)(C)[NH2+]Cc1cccc([S-])c1 85537208 573077905 /nfs/dbraw/zinc/07/79/05/573077905.db2.gz MJTOTHDQVVGEFN-UHFFFAOYSA-N 0 0 195.331 2.863 10 0 AFAERN CC[C@@]1(C)C[C@]12CC(=O)C2(C)C 238270696 573077926 /nfs/dbraw/zinc/07/79/26/573077926.db2.gz BAAYVFCIZCUAID-QWRGUYRKSA-N 0 0 166.264 2.792 10 0 AFAERN CCCc1nc([C@@H](C)C(C)C)no1 308491868 573077949 /nfs/dbraw/zinc/07/79/49/573077949.db2.gz ROSHUKAAXJDNTC-QMMMGPOBSA-N 0 0 182.267 2.782 10 0 AFAERN Cc1cc(N)ccc1-c1ccccn1 82505842 573078018 /nfs/dbraw/zinc/07/80/18/573078018.db2.gz KWPILQURXKBKFW-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN C1=C(c2cc[nH]c2)CCCC1 104617118 573078071 /nfs/dbraw/zinc/07/80/71/573078071.db2.gz NLGNXCODNDCEAP-UHFFFAOYSA-N 0 0 147.221 2.972 10 0 AFAERN CCC[C@@H]1CC[C@@H](C)C[C@@H]1NC(C)=O 238269576 573078111 /nfs/dbraw/zinc/07/81/11/573078111.db2.gz FKUYSTWPQRIGCS-JLLWLGSASA-N 0 0 197.322 2.727 10 0 AFAERN C[C@H]1C[C@@]1(C)CNc1cccnc1 714625823 573078158 /nfs/dbraw/zinc/07/81/58/573078158.db2.gz VKFRPXZQVSFJLB-ONGXEEELSA-N 0 0 176.263 2.540 10 0 AFAERN CC(C)[C@H](C)[C@H](NN)c1cccs1 128602250 573078173 /nfs/dbraw/zinc/07/81/73/573078173.db2.gz GSUVLVLLTIWOLU-WPRPVWTQSA-N 0 0 198.335 2.545 10 0 AFAERN CC(C)CC[C@](C)(O)C1=COCCC1 308492020 573078213 /nfs/dbraw/zinc/07/82/13/573078213.db2.gz RDRHBULBBIMBBR-LBPRGKRZSA-N 0 0 198.306 2.868 10 0 AFAERN CN(c1ccc(Cl)cc1)C1CC1 143936015 573078401 /nfs/dbraw/zinc/07/84/01/573078401.db2.gz IFXGXYZEZOASPY-UHFFFAOYSA-N 0 0 181.666 2.939 10 0 AFAERN C/C=C/CSc1nnc(C(C)C)[nH]1 308250980 573078561 /nfs/dbraw/zinc/07/85/61/573078561.db2.gz AYYZWQUXLVQYNZ-SNAWJCMRSA-N 0 0 197.307 2.596 10 0 AFAERN C/C=C\CSc1nnc(C(C)C)[nH]1 308250979 573078599 /nfs/dbraw/zinc/07/85/99/573078599.db2.gz AYYZWQUXLVQYNZ-PLNGDYQASA-N 0 0 197.307 2.596 10 0 AFAERN CC[C@@H](C)Nc1nc(Cl)ncc1C 82501493 573078753 /nfs/dbraw/zinc/07/87/53/573078753.db2.gz NQUMRVYUEVPPQA-SSDOTTSWSA-N 0 0 199.685 2.649 10 0 AFAERN CCOC(=O)/C(C)=C1\CCC[C@@H]2C[C@H]12 308491175 573078884 /nfs/dbraw/zinc/07/88/84/573078884.db2.gz QSUDULUOUBQYAU-VDMZIHNYSA-N 0 0 194.274 2.686 10 0 AFAERN Cc1ccccc1Oc1cncnc1 258476319 573079051 /nfs/dbraw/zinc/07/90/51/573079051.db2.gz LDJLFRIWPQZLNO-UHFFFAOYSA-N 0 0 186.214 2.577 10 0 AFAERN Cc1ccc(N)c(-c2ccccn2)c1 82505828 573079070 /nfs/dbraw/zinc/07/90/70/573079070.db2.gz GKORUBDMRBBILC-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CC(C)C(O)(Cc1ccco1)C(C)C 308492013 573079551 /nfs/dbraw/zinc/07/95/51/573079551.db2.gz RDLSIJXIRYTILS-UHFFFAOYSA-N 0 0 196.290 2.865 10 0 AFAERN CC[C@@]1(C)C[C@@]12CC(=O)C2(C)C 238270159 573079172 /nfs/dbraw/zinc/07/91/72/573079172.db2.gz BAAYVFCIZCUAID-WDEREUQCSA-N 0 0 166.264 2.792 10 0 AFAERN O=C(C[C@H]1Cc2ccccc21)C1CC1 85575178 573079195 /nfs/dbraw/zinc/07/91/95/573079195.db2.gz FXSPOEAHPZXQIR-LLVKDONJSA-N 0 0 186.254 2.696 10 0 AFAERN CC[C@]1(C)CC(C)=C[C@@H](O)C1 238270534 573079294 /nfs/dbraw/zinc/07/92/94/573079294.db2.gz FSJCOKNYOJVXNM-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)C[C@H](C)[C@@H](CC1CCC1)NN 308491228 573079458 /nfs/dbraw/zinc/07/94/58/573079458.db2.gz QWRFZGVIXSSTPK-CMPLNLGQSA-N 0 0 198.354 2.691 10 0 AFAERN CCC[C@@H]1CC[C@H](C)C[C@@H]1NC(C)=O 238270860 573079517 /nfs/dbraw/zinc/07/95/17/573079517.db2.gz FKUYSTWPQRIGCS-WCQGTBRESA-N 0 0 197.322 2.727 10 0 AFAERN O=C(C[C@@H]1Cc2ccccc21)C1CC1 85575181 573079527 /nfs/dbraw/zinc/07/95/27/573079527.db2.gz FXSPOEAHPZXQIR-NSHDSACASA-N 0 0 186.254 2.696 10 0 AFAERN COc1ccc(SC(C)=O)cc1C 259323500 573079546 /nfs/dbraw/zinc/07/95/46/573079546.db2.gz WHDGJNKAROSQFR-UHFFFAOYSA-N 0 0 196.271 2.642 10 0 AFAERN CC[C@H]1N=C(C)Nc2ccccc21 238270237 573079648 /nfs/dbraw/zinc/07/96/48/573079648.db2.gz VKYMCPWVIMMTIF-SNVBAGLBSA-N 0 0 174.247 2.791 10 0 AFAERN CCCc1c(CO)[nH]c2ccccc12 238269954 573079907 /nfs/dbraw/zinc/07/99/07/573079907.db2.gz UZWXZHCORRGLGA-UHFFFAOYSA-N 0 0 189.258 2.613 10 0 AFAERN CC(C)[C@H](O)C[C@H]1Cc2ccccc21 85575445 573079723 /nfs/dbraw/zinc/07/97/23/573079723.db2.gz ZBSKTQSGTXBXPU-DGCLKSJQSA-N 0 0 190.286 2.733 10 0 AFAERN CC(C)C[C@H](C)[C@H](CC1CCC1)NN 308491229 573079745 /nfs/dbraw/zinc/07/97/45/573079745.db2.gz QWRFZGVIXSSTPK-JQWIXIFHSA-N 0 0 198.354 2.691 10 0 AFAERN CCCc1c(C)ccc(C)c1N 238269226 573079803 /nfs/dbraw/zinc/07/98/03/573079803.db2.gz ALYRCMKEYFKQJM-UHFFFAOYSA-N 0 0 163.264 2.838 10 0 AFAERN Cc1cc(Cl)cc([C@]2(O)C[C@@H]2C)c1 88139994 573079813 /nfs/dbraw/zinc/07/98/13/573079813.db2.gz DFPUEBNEMLZZEO-KWQFWETISA-N 0 0 196.677 2.876 10 0 AFAERN CC[C@]1(C)CC(C)=C[C@H](O)C1 238269885 573079999 /nfs/dbraw/zinc/07/99/99/573079999.db2.gz FSJCOKNYOJVXNM-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)C[C@@H](C)[C@H](CC1CCC1)NN 308491230 573079845 /nfs/dbraw/zinc/07/98/45/573079845.db2.gz QWRFZGVIXSSTPK-PWSUYJOCSA-N 0 0 198.354 2.691 10 0 AFAERN Cc1cccc(Cn2ccc(C=O)c2)c1 85581223 573079922 /nfs/dbraw/zinc/07/99/22/573079922.db2.gz COXJFGIVTACEMW-UHFFFAOYSA-N 0 0 199.253 2.657 10 0 AFAERN Cc1ccc(C)c2c[nH]cc12 104619215 573079950 /nfs/dbraw/zinc/07/99/50/573079950.db2.gz CFFSDFXMZAJNOR-UHFFFAOYSA-N 0 0 145.205 2.785 10 0 AFAERN CC(C)[C@@H](O)C[C@@H]1Cc2ccccc21 85575440 573079971 /nfs/dbraw/zinc/07/99/71/573079971.db2.gz ZBSKTQSGTXBXPU-AAEUAGOBSA-N 0 0 190.286 2.733 10 0 AFAERN Cc1cc(Cl)cc([C@@]2(O)C[C@@H]2C)c1 88139996 573080143 /nfs/dbraw/zinc/08/01/43/573080143.db2.gz DFPUEBNEMLZZEO-GZMMTYOYSA-N 0 0 196.677 2.876 10 0 AFAERN C/C=C\c1cccc(OCC)c1O 78285467 573080292 /nfs/dbraw/zinc/08/02/92/573080292.db2.gz NQKQHMCAGBQQQY-UTCJRWHESA-N 0 0 178.231 2.824 10 0 AFAERN CCC(C)(C)[C@H](NN)c1cccs1 128625206 573080301 /nfs/dbraw/zinc/08/03/01/573080301.db2.gz HCEDEVYEMJBDIZ-SECBINFHSA-N 0 0 198.335 2.689 10 0 AFAERN CC[C@@]1(C)C[C@@]12CC(C)(C)C2=O 238270178 573080332 /nfs/dbraw/zinc/08/03/32/573080332.db2.gz YXZLEFKRIKWXCG-WDEREUQCSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc([C@@H](C)O)c(OC(C)C)c1 82502358 573080419 /nfs/dbraw/zinc/08/04/19/573080419.db2.gz PKJROOOWCQZOET-SNVBAGLBSA-N 0 0 194.274 2.836 10 0 AFAERN C[C@H](CCC1CC1)NCC(F)(F)F 308251832 573080435 /nfs/dbraw/zinc/08/04/35/573080435.db2.gz HWXQVBIPFBMBOP-SSDOTTSWSA-N 0 0 195.228 2.717 10 0 AFAERN Cc1cnc(Cl)nc1NCC(C)C 82501506 573080455 /nfs/dbraw/zinc/08/04/55/573080455.db2.gz FAFCIMYYSCWFBN-UHFFFAOYSA-N 0 0 199.685 2.506 10 0 AFAERN CCCSc1ccc[nH]1 104619240 573080537 /nfs/dbraw/zinc/08/05/37/573080537.db2.gz TWPRWSPUSCHGBD-UHFFFAOYSA-N 0 0 141.239 2.517 10 0 AFAERN CC(=O)[C@@H]1C[C@H]1c1ccc(C)c(F)c1 82503354 573080608 /nfs/dbraw/zinc/08/06/08/573080608.db2.gz VXDYNRAULRNSRN-QWRGUYRKSA-N 0 0 192.233 2.827 10 0 AFAERN CCC(=O)C[C@H]1Cc2ccccc21 85575165 573080708 /nfs/dbraw/zinc/08/07/08/573080708.db2.gz GPALGBCVRALFNC-SNVBAGLBSA-N 0 0 174.243 2.696 10 0 AFAERN c1ccc2c(c1)C[C@@H]2Cn1cccc1 85576824 573080724 /nfs/dbraw/zinc/08/07/24/573080724.db2.gz KURWFRAPBJDAJT-GFCCVEGCSA-N 0 0 183.254 2.828 10 0 AFAERN CC[C@@]1(C)C[C@]12CC(C)(C)C2=O 238270712 573080868 /nfs/dbraw/zinc/08/08/68/573080868.db2.gz YXZLEFKRIKWXCG-QWRGUYRKSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)C(=O)C[C@H]1Cc2ccccc21 85575161 573080914 /nfs/dbraw/zinc/08/09/14/573080914.db2.gz XUOWXIRDANNWOT-LLVKDONJSA-N 0 0 188.270 2.942 10 0 AFAERN CC[C@@H](O)CCC(F)(F)CC 238269543 573080980 /nfs/dbraw/zinc/08/09/80/573080980.db2.gz BICUZMVYAKVFSJ-SSDOTTSWSA-N 0 0 166.211 2.583 10 0 AFAERN CCC(CC)[C@H](O)c1ccc(C)cn1 88136045 573080996 /nfs/dbraw/zinc/08/09/96/573080996.db2.gz MVXQMWVYCDGNOL-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN CCCc1c(C)ccc(O)c1OC 238269248 573081001 /nfs/dbraw/zinc/08/10/01/573081001.db2.gz KVSMEGKECNILND-UHFFFAOYSA-N 0 0 180.247 2.662 10 0 AFAERN Cc1c[nH]c(C2CCCCC2)n1 114467881 573081016 /nfs/dbraw/zinc/08/10/16/573081016.db2.gz ACKLHLPNCLNXBA-UHFFFAOYSA-N 0 0 164.252 2.766 10 0 AFAERN CCN1CCc2ccc(C3CC3)cc21 238271512 573082404 /nfs/dbraw/zinc/08/24/04/573082404.db2.gz RBOAFRZFKYIHOS-UHFFFAOYSA-N 0 0 187.286 2.946 10 0 AFAERN O=C(c1ccc[nH]1)[C@@H]1Cc2ccccc21 85577079 573081631 /nfs/dbraw/zinc/08/16/31/573081631.db2.gz ABCSZVMJBAUUNM-LLVKDONJSA-N 0 0 197.237 2.537 10 0 AFAERN CCCc1c2[nH]cccc-2ccc1=O 238272023 573082555 /nfs/dbraw/zinc/08/25/55/573082555.db2.gz JNIWURNPOCCHIF-UHFFFAOYSA-N 0 0 187.242 2.893 10 0 AFAERN CCC(=O)C[C@@H]1Cc2ccccc21 85575164 573081670 /nfs/dbraw/zinc/08/16/70/573081670.db2.gz GPALGBCVRALFNC-JTQLQIEISA-N 0 0 174.243 2.696 10 0 AFAERN O=C(c1ccc[nH]1)[C@H]1Cc2ccccc21 85577076 573081698 /nfs/dbraw/zinc/08/16/98/573081698.db2.gz ABCSZVMJBAUUNM-NSHDSACASA-N 0 0 197.237 2.537 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1ccc(C)c(F)c1 82503352 573081812 /nfs/dbraw/zinc/08/18/12/573081812.db2.gz VXDYNRAULRNSRN-GHMZBOCLSA-N 0 0 192.233 2.827 10 0 AFAERN Cc1cc(Cl)cc([C@]2(O)C[C@H]2C)c1 88139998 573081843 /nfs/dbraw/zinc/08/18/43/573081843.db2.gz DFPUEBNEMLZZEO-KCJUWKMLSA-N 0 0 196.677 2.876 10 0 AFAERN CCc1nc(Cl)cc(NC(C)C)n1 82509488 573082000 /nfs/dbraw/zinc/08/20/00/573082000.db2.gz ZCGLGEVINYDTAW-UHFFFAOYSA-N 0 0 199.685 2.513 10 0 AFAERN O=C(c1cc[nH]c1)[C@H]1Cc2ccccc21 85577080 573081904 /nfs/dbraw/zinc/08/19/04/573081904.db2.gz DEXYMFKGDUZXOZ-LBPRGKRZSA-N 0 0 197.237 2.537 10 0 AFAERN C=C(c1ccc(C)cc1)c1ncc[nH]1 114441053 573081947 /nfs/dbraw/zinc/08/19/47/573081947.db2.gz GDLMNNFWAYKRMZ-UHFFFAOYSA-N 0 0 184.242 2.780 10 0 AFAERN Cc1cc(Cl)cc(C2(O)CC2)c1 88139992 573082008 /nfs/dbraw/zinc/08/20/08/573082008.db2.gz AMCGOARBDZUPPO-UHFFFAOYSA-N 0 0 182.650 2.630 10 0 AFAERN Cc1ccc([C@H](O)C2CCCC2)nc1 88135981 573082018 /nfs/dbraw/zinc/08/20/18/573082018.db2.gz RWRJSEXQAIHIJW-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CC(C)C(=O)C[C@@H]1Cc2ccccc21 85575158 573082083 /nfs/dbraw/zinc/08/20/83/573082083.db2.gz XUOWXIRDANNWOT-NSHDSACASA-N 0 0 188.270 2.942 10 0 AFAERN Cc1ccc(Cn2ccc(C=O)c2)cc1 85580917 573082118 /nfs/dbraw/zinc/08/21/18/573082118.db2.gz VZZZPLWWKDTHCI-UHFFFAOYSA-N 0 0 199.253 2.657 10 0 AFAERN CCOc1cc2c(cc1C)CCC2=O 238272351 573082293 /nfs/dbraw/zinc/08/22/93/573082293.db2.gz ZYWKUTISSAIZLP-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN Cc1ccc(OCC[C@@H](C)F)cn1 308252755 573082329 /nfs/dbraw/zinc/08/23/29/573082329.db2.gz IOLMTBSJGVYLLT-MRVPVSSYSA-N 0 0 183.226 2.517 10 0 AFAERN C/C=C\C[C@H](C(C)=O)C(C)C 213004185 573082351 /nfs/dbraw/zinc/08/23/51/573082351.db2.gz FTFQITXRULOESR-OMMCCPJFSA-N 0 0 154.253 2.814 10 0 AFAERN CC(C)[C@H](O)C[C@@H]1Cc2ccccc21 85575434 573082376 /nfs/dbraw/zinc/08/23/76/573082376.db2.gz ZBSKTQSGTXBXPU-WCQYABFASA-N 0 0 190.286 2.733 10 0 AFAERN O=C(c1cc[nH]c1)[C@@H]1Cc2ccccc21 85577083 573082380 /nfs/dbraw/zinc/08/23/80/573082380.db2.gz DEXYMFKGDUZXOZ-GFCCVEGCSA-N 0 0 197.237 2.537 10 0 AFAERN C/C=C\COC(=O)C=C(CC)CC 308253380 573082398 /nfs/dbraw/zinc/08/23/98/573082398.db2.gz CNUPKIZOBAVHPP-DAXSKMNVSA-N 0 0 182.263 2.852 10 0 AFAERN CC(C)[C@H](C)OC(=O)C1(C)CCC1 308252478 573082462 /nfs/dbraw/zinc/08/24/62/573082462.db2.gz IJXQWFHAXNIXRO-VIFPVBQESA-N 0 0 184.279 2.764 10 0 AFAERN Cc1ccccc1Cn1ccc(C=O)c1 85580832 573082489 /nfs/dbraw/zinc/08/24/89/573082489.db2.gz PQZNFLFTUCTUOW-UHFFFAOYSA-N 0 0 199.253 2.657 10 0 AFAERN CCCCNc1nc(Cl)ncc1C 82501441 573082491 /nfs/dbraw/zinc/08/24/91/573082491.db2.gz STHDMGMKFRVUPJ-UHFFFAOYSA-N 0 0 199.685 2.650 10 0 AFAERN CCCc1c[nH]c2cccc(O)c12 238272756 573082640 /nfs/dbraw/zinc/08/26/40/573082640.db2.gz UAAJHNIQQHZPMC-UHFFFAOYSA-N 0 0 175.231 2.826 10 0 AFAERN CCC[C@H]1CCC(C)(C)C1=O 238272708 573082688 /nfs/dbraw/zinc/08/26/88/573082688.db2.gz TXWSXAJDEFHQET-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)[C@@H](O)C[C@H]1Cc2ccccc21 85575449 573082763 /nfs/dbraw/zinc/08/27/63/573082763.db2.gz ZBSKTQSGTXBXPU-YPMHNXCESA-N 0 0 190.286 2.733 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@H]1CCO[C@@H]1C 308498375 573082774 /nfs/dbraw/zinc/08/27/74/573082774.db2.gz USDAVBJAISMSIW-AXFHLTTASA-N 0 0 198.306 2.663 10 0 AFAERN CON(CCCCF)C1CCCC1 308497942 573082902 /nfs/dbraw/zinc/08/29/02/573082902.db2.gz VAIHAFVZHHQTLJ-UHFFFAOYSA-N 0 0 189.274 2.542 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1ccc(C)c(F)c1 82503350 573082997 /nfs/dbraw/zinc/08/29/97/573082997.db2.gz VXDYNRAULRNSRN-MNOVXSKESA-N 0 0 192.233 2.827 10 0 AFAERN C/C=C\C[C@@H](C(C)=O)C(C)C 213004237 573083007 /nfs/dbraw/zinc/08/30/07/573083007.db2.gz FTFQITXRULOESR-WWQCOOJYSA-N 0 0 154.253 2.814 10 0 AFAERN c1cc(CNc2ccsc2)c[nH]1 85580239 573083097 /nfs/dbraw/zinc/08/30/97/573083097.db2.gz HONNTUHUSSRQOF-UHFFFAOYSA-N 0 0 178.260 2.688 10 0 AFAERN C/C=C/[C@H](O)C[Si](C)(C)CC 238272729 573083210 /nfs/dbraw/zinc/08/32/10/573083210.db2.gz KPDGKYJEAWBRKO-IWGCBNPKSA-N 0 0 172.344 2.652 10 0 AFAERN C/C=C/[C@@H](O)C[Si](C)(C)CC 238272785 573083653 /nfs/dbraw/zinc/08/36/53/573083653.db2.gz KPDGKYJEAWBRKO-VPIOIWJLSA-N 0 0 172.344 2.652 10 0 AFAERN CCc1c[nH]c(=S)n1CC(C)C 88145933 573083229 /nfs/dbraw/zinc/08/32/29/573083229.db2.gz GJQLDUIFQKKUGB-UHFFFAOYSA-N 0 0 184.308 2.764 10 0 AFAERN Cc1c[nH]c(=S)n1CC(C)(C)C 88146210 573083336 /nfs/dbraw/zinc/08/33/36/573083336.db2.gz UPMAULXEXBEJEV-UHFFFAOYSA-N 0 0 184.308 2.900 10 0 AFAERN Cc1c[nH]c(=S)n1CCC1CC1 88154003 573083361 /nfs/dbraw/zinc/08/33/61/573083361.db2.gz KFMDXRWLTGEFDT-UHFFFAOYSA-N 0 0 182.292 2.654 10 0 AFAERN c1ccc2c(c1)C[C@H]2Cn1cccc1 85576825 573083379 /nfs/dbraw/zinc/08/33/79/573083379.db2.gz KURWFRAPBJDAJT-LBPRGKRZSA-N 0 0 183.254 2.828 10 0 AFAERN CCCn1c(CC)c[nH]c1=S 88145941 573083415 /nfs/dbraw/zinc/08/34/15/573083415.db2.gz WJYNLZYCLSUVHU-UHFFFAOYSA-N 0 0 170.281 2.518 10 0 AFAERN CCc1c[nH]c(=S)n1C1CCC1 88146610 573083542 /nfs/dbraw/zinc/08/35/42/573083542.db2.gz CHZWPUDXQCTJFF-UHFFFAOYSA-N 0 0 182.292 2.833 10 0 AFAERN Cc1c[nH]c(=S)n1C1CCC1 88146609 573083545 /nfs/dbraw/zinc/08/35/45/573083545.db2.gz KSDUGKMAGVJEKQ-UHFFFAOYSA-N 0 0 168.265 2.579 10 0 AFAERN CCCc1c(O)cc(O)cc1CC 238271685 573083570 /nfs/dbraw/zinc/08/35/70/573083570.db2.gz FTJBOJOCAZSMMV-UHFFFAOYSA-N 0 0 180.247 2.613 10 0 AFAERN C/C=C/COC(=O)C=C(CC)CC 308253381 573083572 /nfs/dbraw/zinc/08/35/72/573083572.db2.gz CNUPKIZOBAVHPP-QPJJXVBHSA-N 0 0 182.263 2.852 10 0 AFAERN Cc1cn(CCC(C)C)c(=S)[nH]1 88154282 573083577 /nfs/dbraw/zinc/08/35/77/573083577.db2.gz SFZKVGQGIFWZJZ-UHFFFAOYSA-N 0 0 184.308 2.900 10 0 AFAERN CC[C@H]1C[C@]1(O)C1CCC(C)CC1 123583834 573083578 /nfs/dbraw/zinc/08/35/78/573083578.db2.gz YHRUJOAWSLRXLF-POSLAHMBSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@H]1CCO[C@H]1C 308498376 573083586 /nfs/dbraw/zinc/08/35/86/573083586.db2.gz USDAVBJAISMSIW-DCAQKATOSA-N 0 0 198.306 2.663 10 0 AFAERN CCCc1c[nH]c2c1C(=O)C[C@H](C)C2 238272642 573083597 /nfs/dbraw/zinc/08/35/97/573083597.db2.gz YMUANYABQSYEKD-MRVPVSSYSA-N 0 0 191.274 2.732 10 0 AFAERN C/C(=C/CO)Sc1ccccc1 211562871 573083610 /nfs/dbraw/zinc/08/36/10/573083610.db2.gz LKIOKQWPUXUIML-CLFYSBASSA-N 0 0 180.272 2.675 10 0 AFAERN CC[C@@H]1C[C@@H](C)c2ccc(N)cc2N1 238272797 573085260 /nfs/dbraw/zinc/08/52/60/573085260.db2.gz MZSIJFKVKMBNQC-PSASIEDQSA-N 0 0 190.290 2.967 10 0 AFAERN Cc1c[nH]c(=S)n1CC1CCC1 88146063 573084309 /nfs/dbraw/zinc/08/43/09/573084309.db2.gz JQHQWNKYOVCWCK-UHFFFAOYSA-N 0 0 182.292 2.654 10 0 AFAERN CC[C@@H](C)Cn1c(C)c[nH]c1=S 88146643 573085262 /nfs/dbraw/zinc/08/52/62/573085262.db2.gz FILORFANGPUSTN-SSDOTTSWSA-N 0 0 184.308 2.900 10 0 AFAERN OCc1cn(C(F)F)c2ccccc12 85587700 573084332 /nfs/dbraw/zinc/08/43/32/573084332.db2.gz OPDDTKNPSZWPBC-UHFFFAOYSA-N 0 0 197.184 2.529 10 0 AFAERN CCN1CCc2cc(C3CC3)ccc21 238271426 573084356 /nfs/dbraw/zinc/08/43/56/573084356.db2.gz KKSXMOCFIPFFHB-UHFFFAOYSA-N 0 0 187.286 2.946 10 0 AFAERN CCc1c[nH]c(=S)n1CC1CC1 88145770 573084463 /nfs/dbraw/zinc/08/44/63/573084463.db2.gz DQEDGWSBFSCHFD-UHFFFAOYSA-N 0 0 182.292 2.518 10 0 AFAERN CCC(C)(C)C(=O)OCC[C@H](C)F 308252407 573084483 /nfs/dbraw/zinc/08/44/83/573084483.db2.gz BXTUIFYAWMSQMX-QMMMGPOBSA-N 0 0 190.258 2.714 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1CCO[C@@H]1C 308498378 573084487 /nfs/dbraw/zinc/08/44/87/573084487.db2.gz USDAVBJAISMSIW-HBNTYKKESA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@@H]1C[C@]1(O)C1CCC(C)CC1 123583648 573084503 /nfs/dbraw/zinc/08/45/03/573084503.db2.gz YHRUJOAWSLRXLF-RUJICJSRSA-N 0 0 182.307 2.974 10 0 AFAERN CC1CCC([C@]2(O)C[C@H]2C)CC1 123582062 573084515 /nfs/dbraw/zinc/08/45/15/573084515.db2.gz BDGZBYAVDGADKV-DJRKXVOMSA-N 0 0 168.280 2.584 10 0 AFAERN CC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 82522867 573084559 /nfs/dbraw/zinc/08/45/59/573084559.db2.gz HFGPMZTXEOAABT-RKDXNWHRSA-N 0 0 196.196 2.657 10 0 AFAERN CCc1c[nH]c(=S)n1[C@H]1C[C@H]1C 88146622 573084603 /nfs/dbraw/zinc/08/46/03/573084603.db2.gz OEMYBELLVPCLSO-SVRRBLITSA-N 0 0 182.292 2.689 10 0 AFAERN CCC(C)(C)n1c(C)c[nH]c1=S 88145946 573084644 /nfs/dbraw/zinc/08/46/44/573084644.db2.gz CZOZFTKGGMRTKZ-UHFFFAOYSA-N 0 0 184.308 2.999 10 0 AFAERN CC1CCC([C@@]2(O)C[C@@H]2C)CC1 123581847 573084720 /nfs/dbraw/zinc/08/47/20/573084720.db2.gz BDGZBYAVDGADKV-QONHTCSSSA-N 0 0 168.280 2.584 10 0 AFAERN C1=C(c2ccc[nH]2)CCCC1 104620215 573084737 /nfs/dbraw/zinc/08/47/37/573084737.db2.gz KLOYGJDTHHFPTK-UHFFFAOYSA-N 0 0 147.221 2.972 10 0 AFAERN CCC(CC)C[C@H]1CC[C@@H](O)C1 128680338 573084745 /nfs/dbraw/zinc/08/47/45/573084745.db2.gz PGKVKLAZZZWXQA-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1c[nH]c(=S)n1CC1CCC1 88146064 573084771 /nfs/dbraw/zinc/08/47/71/573084771.db2.gz KSUQWEDOWSIREF-UHFFFAOYSA-N 0 0 196.319 2.908 10 0 AFAERN Cc1ccc2c(c1)NC[C@H]2C 104620567 573084772 /nfs/dbraw/zinc/08/47/72/573084772.db2.gz JVUCMPZKYPNMCL-MRVPVSSYSA-N 0 0 147.221 2.524 10 0 AFAERN Cc1c[nH]c(=S)n1CC(C)C 88145932 573084790 /nfs/dbraw/zinc/08/47/90/573084790.db2.gz SPVWLHDADGTILD-UHFFFAOYSA-N 0 0 170.281 2.510 10 0 AFAERN Cc1ccc2c(c1)NC[C@@H]2C 104620563 573084854 /nfs/dbraw/zinc/08/48/54/573084854.db2.gz JVUCMPZKYPNMCL-QMMMGPOBSA-N 0 0 147.221 2.524 10 0 AFAERN CCc1ccc(COC)c(C)c1 238272635 573084874 /nfs/dbraw/zinc/08/48/74/573084874.db2.gz JQKLPRKVCXDEIE-UHFFFAOYSA-N 0 0 164.248 2.704 10 0 AFAERN CC[C@H](C[Si](C)(C)C)C(C)=O 238272065 573085064 /nfs/dbraw/zinc/08/50/64/573085064.db2.gz XMPFUYNDEVXFGY-SECBINFHSA-N 0 0 172.344 2.940 10 0 AFAERN C=Cc1cccc(NCC)c1 104623302 573085078 /nfs/dbraw/zinc/08/50/78/573085078.db2.gz JODJIWSOFIILMS-UHFFFAOYSA-N 0 0 147.221 2.761 10 0 AFAERN CC[C@@H](O)CSc1ccsc1 238271719 573085086 /nfs/dbraw/zinc/08/50/86/573085086.db2.gz YHKLPUDWNUDYCT-SSDOTTSWSA-N 0 0 188.317 2.611 10 0 AFAERN CC1CCC([C@]2(O)C[C@@H]2C)CC1 123581643 573085155 /nfs/dbraw/zinc/08/51/55/573085155.db2.gz BDGZBYAVDGADKV-YIYTYNFBSA-N 0 0 168.280 2.584 10 0 AFAERN COc1cc(SC(C)C)ccc1N 82523900 573085161 /nfs/dbraw/zinc/08/51/61/573085161.db2.gz IUWDVOFKMSTKBA-UHFFFAOYSA-N 0 0 197.303 2.778 10 0 AFAERN CC[C@H](C)n1cc(C)[nH]c1=S 88154365 573085190 /nfs/dbraw/zinc/08/51/90/573085190.db2.gz IYUALJRIOFYESF-ZETCQYMHSA-N 0 0 170.281 2.825 10 0 AFAERN CCc1c[nH]c(=S)n1C(C)C 88145781 573085226 /nfs/dbraw/zinc/08/52/26/573085226.db2.gz JWNFVODWRYTNGW-UHFFFAOYSA-N 0 0 170.281 2.689 10 0 AFAERN CCCn1ccc(/C=C(/C)[N+](=O)[O-])c1 85605336 573085343 /nfs/dbraw/zinc/08/53/43/573085343.db2.gz HGDGHZFFYDAJLU-CLFYSBASSA-N 0 0 194.234 2.536 10 0 AFAERN CCC(CC)C[C@@H]1CC[C@H](O)C1 128679697 573085379 /nfs/dbraw/zinc/08/53/79/573085379.db2.gz PGKVKLAZZZWXQA-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@@H]1C=C(C)CC(=O)C1 238271183 573085380 /nfs/dbraw/zinc/08/53/80/573085380.db2.gz JVFLSPNYBLXFGP-SECBINFHSA-N 0 0 152.237 2.712 10 0 AFAERN C[C@@H](CO)c1ccc2ccoc2c1 257942451 573085392 /nfs/dbraw/zinc/08/53/92/573085392.db2.gz DLEFWABYQRWCER-QMMMGPOBSA-N 0 0 176.215 2.529 10 0 AFAERN CC[C@@H](C)COC(=O)[C@@H]1CC1(C)C 308253400 573085430 /nfs/dbraw/zinc/08/54/30/573085430.db2.gz COKNSRMRTJYCMZ-BDAKNGLRSA-N 0 0 184.279 2.622 10 0 AFAERN CC[C@@H](CO)C1=CCCCCC1 238271955 573085723 /nfs/dbraw/zinc/08/57/23/573085723.db2.gz KDPJBQSVLFCBEK-JTQLQIEISA-N 0 0 168.280 2.895 10 0 AFAERN C[C@@H](OC(=O)CC(C)(C)C)C(F)F 308252767 573085747 /nfs/dbraw/zinc/08/57/47/573085747.db2.gz IPKBLJJTCMUNOS-ZCFIWIBFSA-N 0 0 194.221 2.619 10 0 AFAERN CCOc1cc2c(cc1C)C(=O)CC2 238272441 573085836 /nfs/dbraw/zinc/08/58/36/573085836.db2.gz MNLSMPYMUDQHKD-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN CC[C@H](C)Cn1c(C)c[nH]c1=S 88146644 573085901 /nfs/dbraw/zinc/08/59/01/573085901.db2.gz FILORFANGPUSTN-ZETCQYMHSA-N 0 0 184.308 2.900 10 0 AFAERN Cc1c[nH]c(=S)n1C1CCCC1 88145935 573085909 /nfs/dbraw/zinc/08/59/09/573085909.db2.gz GPIPLAMRMPDPRG-UHFFFAOYSA-N 0 0 182.292 2.969 10 0 AFAERN CCCCn1cc(C)[nH]c1=S 88154277 573085965 /nfs/dbraw/zinc/08/59/65/573085965.db2.gz PDXLUCZZYJEVHZ-UHFFFAOYSA-N 0 0 170.281 2.654 10 0 AFAERN CCCc1c[nH]c2c1C(=O)C[C@@H](C)C2 238272649 573086006 /nfs/dbraw/zinc/08/60/06/573086006.db2.gz YMUANYABQSYEKD-QMMMGPOBSA-N 0 0 191.274 2.732 10 0 AFAERN Cc1cn(C(C)(C)C)c(=S)[nH]1 88154256 573086018 /nfs/dbraw/zinc/08/60/18/573086018.db2.gz AZLOCGCYYNDFIY-UHFFFAOYSA-N 0 0 170.281 2.609 10 0 AFAERN CC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 82522869 573086094 /nfs/dbraw/zinc/08/60/94/573086094.db2.gz HFGPMZTXEOAABT-BDAKNGLRSA-N 0 0 196.196 2.657 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 82522866 573086127 /nfs/dbraw/zinc/08/61/27/573086127.db2.gz HFGPMZTXEOAABT-DTWKUNHWSA-N 0 0 196.196 2.657 10 0 AFAERN CCc1c[nH]c(=S)n1C(C)(C)C 88145773 573086153 /nfs/dbraw/zinc/08/61/53/573086153.db2.gz NXJCJAIITYOQHW-UHFFFAOYSA-N 0 0 184.308 2.863 10 0 AFAERN CCCc1c[nH]c2ccc(OC)nc12 238272705 573086216 /nfs/dbraw/zinc/08/62/16/573086216.db2.gz LERJPCXUQPNAIJ-UHFFFAOYSA-N 0 0 190.246 2.524 10 0 AFAERN CCC(CC)C[C@H]1CC[C@H](O)C1 128679904 573086227 /nfs/dbraw/zinc/08/62/27/573086227.db2.gz PGKVKLAZZZWXQA-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CCN1CCc2cccc(C3CC3)c21 238271534 573086246 /nfs/dbraw/zinc/08/62/46/573086246.db2.gz XOJHZSMIMFZKIY-UHFFFAOYSA-N 0 0 187.286 2.946 10 0 AFAERN Cc1c[nH]c(=S)n1[C@H](C)C1CC1 88146111 573086412 /nfs/dbraw/zinc/08/64/12/573086412.db2.gz FBJSZZVWDAUQQT-SSDOTTSWSA-N 0 0 182.292 2.825 10 0 AFAERN O=Cc1cc(Cl)cc2c1CCC2 257942364 573086424 /nfs/dbraw/zinc/08/64/24/573086424.db2.gz DINHNXJQZFUCLY-UHFFFAOYSA-N 0 0 180.634 2.641 10 0 AFAERN CC[C@H](C)C(=O)OCCC1CCC1 308252746 573087021 /nfs/dbraw/zinc/08/70/21/573087021.db2.gz CDXJNZBORIILHJ-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN Cc1c[nH]c(=S)n1[C@H]1CC1(C)C 88146537 573086461 /nfs/dbraw/zinc/08/64/61/573086461.db2.gz XXJKJALTROYJPX-ZETCQYMHSA-N 0 0 182.292 2.825 10 0 AFAERN CCC(CC)(CC)C(=O)OC1CC1 308498258 573086555 /nfs/dbraw/zinc/08/65/55/573086555.db2.gz VCGMLNVBJSJYAI-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN c1ccc2c(c1)cc1n2CCC1 114533714 573086591 /nfs/dbraw/zinc/08/65/91/573086591.db2.gz RJXOMHFQIVWQTQ-UHFFFAOYSA-N 0 0 157.216 2.588 10 0 AFAERN CCN1CCc2c(C3CC3)cccc21 238271389 573086597 /nfs/dbraw/zinc/08/65/97/573086597.db2.gz BWFDDIQXBOKCPL-UHFFFAOYSA-N 0 0 187.286 2.946 10 0 AFAERN C[C@H](CO)c1ccc2ccoc2c1 257942449 573086612 /nfs/dbraw/zinc/08/66/12/573086612.db2.gz DLEFWABYQRWCER-MRVPVSSYSA-N 0 0 176.215 2.529 10 0 AFAERN CCC(CC)CCC[C@H](C)O 128678173 573086635 /nfs/dbraw/zinc/08/66/35/573086635.db2.gz TXBAIHCYMIZDHR-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN CC[C@@H](C)n1c(C)c[nH]c1=S 88145888 573086741 /nfs/dbraw/zinc/08/67/41/573086741.db2.gz NFPXKDURKAFWJD-ZCFIWIBFSA-N 0 0 170.281 2.825 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1CCO[C@H]1C 308498377 573086768 /nfs/dbraw/zinc/08/67/68/573086768.db2.gz USDAVBJAISMSIW-GARJFASQSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1c[nH]c(=S)n1CCC(C)C 88145803 573086826 /nfs/dbraw/zinc/08/68/26/573086826.db2.gz NNZUSIGUUXRKQV-UHFFFAOYSA-N 0 0 184.308 2.900 10 0 AFAERN CC[C@@H](C)C(=O)OCCC1CCC1 308252745 573086844 /nfs/dbraw/zinc/08/68/44/573086844.db2.gz CDXJNZBORIILHJ-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CC(=O)c1c(F)ccc2ccoc12 257942416 573087151 /nfs/dbraw/zinc/08/71/51/573087151.db2.gz DKCJVURCQAQJAU-UHFFFAOYSA-N 0 0 178.162 2.775 10 0 AFAERN CCCCc1ccc2c(c1)COC2=O 238272639 573087244 /nfs/dbraw/zinc/08/72/44/573087244.db2.gz XBEXEEFNSXFMOT-UHFFFAOYSA-N 0 0 190.242 2.700 10 0 AFAERN C=CP(=O)(C=C)C=C 114574174 573087259 /nfs/dbraw/zinc/08/72/59/573087259.db2.gz QRPTXORSJKSZSU-UHFFFAOYSA-N 0 0 128.111 2.780 10 0 AFAERN CCC(C)(C)C(=O)OCC[C@@H](C)F 308252406 573087275 /nfs/dbraw/zinc/08/72/75/573087275.db2.gz BXTUIFYAWMSQMX-MRVPVSSYSA-N 0 0 190.258 2.714 10 0 AFAERN Cc1c[nH]c(=S)n1C(C)(C)C 88145772 573087319 /nfs/dbraw/zinc/08/73/19/573087319.db2.gz CZFXOADXKHMPOK-UHFFFAOYSA-N 0 0 170.281 2.609 10 0 AFAERN C[C@@H](O)C/C=C\c1ccsc1 225003991 573087386 /nfs/dbraw/zinc/08/73/86/573087386.db2.gz SBCCEBOGMKZBGA-DLRBJTRDSA-N 0 0 168.261 2.532 10 0 AFAERN CCC(CC)C[C@@H]1CC[C@@H](O)C1 128680113 573087423 /nfs/dbraw/zinc/08/74/23/573087423.db2.gz PGKVKLAZZZWXQA-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1c[nH]c(=S)n1[C@@H]1C[C@@H]1C 88146619 573087464 /nfs/dbraw/zinc/08/74/64/573087464.db2.gz OEMYBELLVPCLSO-POYBYMJQSA-N 0 0 182.292 2.689 10 0 AFAERN Cc1c[nH]c(=S)n1-c1ccsc1 88154049 573087561 /nfs/dbraw/zinc/08/75/61/573087561.db2.gz FXTKDUIOGZRAPU-UHFFFAOYSA-N 0 0 196.300 2.905 10 0 AFAERN CC[Si](/C=C\[C@H](C)O)(CC)CC 225008461 573087661 /nfs/dbraw/zinc/08/76/61/573087661.db2.gz QJTWFTSQAOQEHN-QROTZFDESA-N 0 0 186.371 2.971 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1Cn1cccc1 717111170 573087688 /nfs/dbraw/zinc/08/76/88/573087688.db2.gz VFBLOKASYQVENH-NOOOWODRSA-N 0 0 175.275 2.780 10 0 AFAERN OCC1Cc2cccc3cccc(c23)C1 257942411 573087693 /nfs/dbraw/zinc/08/76/93/573087693.db2.gz DJPQXPALDPKSSB-UHFFFAOYSA-N 0 0 198.265 2.547 10 0 AFAERN CCc1c[nH]c(=S)n1[C@@H]1C[C@H]1C 88146621 573087702 /nfs/dbraw/zinc/08/77/02/573087702.db2.gz OEMYBELLVPCLSO-HTRCEHHLSA-N 0 0 182.292 2.689 10 0 AFAERN Cc1nc(-c2ccc(F)c(C)c2)c[nH]1 259035634 573087799 /nfs/dbraw/zinc/08/77/99/573087799.db2.gz GWHWTIPUGHMCGQ-UHFFFAOYSA-N 0 0 190.221 2.833 10 0 AFAERN CCCc1cc(C)cc(O)c1C 238275339 573088472 /nfs/dbraw/zinc/08/84/72/573088472.db2.gz FDJRHGOZHRZJLY-UHFFFAOYSA-N 0 0 164.248 2.962 10 0 AFAERN Cc1cn(-c2ccsc2)c(=S)[nH]1 88155374 573088535 /nfs/dbraw/zinc/08/85/35/573088535.db2.gz SOVXTWDUYULKMT-UHFFFAOYSA-N 0 0 196.300 2.905 10 0 AFAERN Cc1ccc2c([C@H](C)CO)coc2c1 257942581 573088591 /nfs/dbraw/zinc/08/85/91/573088591.db2.gz QZDRQYQHAXXBNK-SECBINFHSA-N 0 0 190.242 2.837 10 0 AFAERN C[C@@H](F)CCn1ccc(C2CC2)n1 308259614 573088603 /nfs/dbraw/zinc/08/86/03/573088603.db2.gz MTDFQYLZHUFWEY-MRVPVSSYSA-N 0 0 182.242 2.509 10 0 AFAERN Cc1cn(C2CCC2)c(=S)[nH]1 88155029 573088646 /nfs/dbraw/zinc/08/86/46/573088646.db2.gz GCXLFMBILGUVEG-UHFFFAOYSA-N 0 0 168.265 2.579 10 0 AFAERN OC[C@H]1C[C@H]1c1ccc(C2CC2)cc1 88158326 573088663 /nfs/dbraw/zinc/08/86/63/573088663.db2.gz NAWSTZBQTAAYKA-OLZOCXBDSA-N 0 0 188.270 2.660 10 0 AFAERN Cc1cn([C@@H](C)C2CC2)c(=S)[nH]1 88154548 573088670 /nfs/dbraw/zinc/08/86/70/573088670.db2.gz RLOMPHYBPBQVQL-ZETCQYMHSA-N 0 0 182.292 2.825 10 0 AFAERN Cc1ccc2c([C@@H](C)CO)coc2c1 257942582 573088686 /nfs/dbraw/zinc/08/86/86/573088686.db2.gz QZDRQYQHAXXBNK-VIFPVBQESA-N 0 0 190.242 2.837 10 0 AFAERN CC(C)C(F)(F)C(C)C 114562269 573089727 /nfs/dbraw/zinc/08/97/27/573089727.db2.gz OYMCICUVXIIAOW-UHFFFAOYSA-N 0 0 136.185 2.934 10 0 AFAERN Cc1ccc([C@]2(C)C[C@H]2CO)cc1C 88158384 573088773 /nfs/dbraw/zinc/08/87/73/573088773.db2.gz IYTVACIVDRVVQU-STQMWFEESA-N 0 0 190.286 2.573 10 0 AFAERN Cc1ccc(C)c([C@@]2(C)C[C@H]2CO)c1 88158239 573088835 /nfs/dbraw/zinc/08/88/35/573088835.db2.gz RFTPKZAQOUWGDB-AAEUAGOBSA-N 0 0 190.286 2.573 10 0 AFAERN Cc1ccc([C@@]2(C)C[C@H]2CO)cc1C 88158385 573088873 /nfs/dbraw/zinc/08/88/73/573088873.db2.gz IYTVACIVDRVVQU-QWHCGFSZSA-N 0 0 190.286 2.573 10 0 AFAERN Cc1cn(CC(C)(C)C)c(=S)[nH]1 88154631 573088900 /nfs/dbraw/zinc/08/89/00/573088900.db2.gz ZLIBTURMHOFVBY-UHFFFAOYSA-N 0 0 184.308 2.900 10 0 AFAERN CCc1ccc([C@@]2(C)C[C@@H]2CO)s1 88158443 573089032 /nfs/dbraw/zinc/08/90/32/573089032.db2.gz ZMMUGLGWXOIWSU-KCJUWKMLSA-N 0 0 196.315 2.580 10 0 AFAERN CC(C)[C@]1(c2ccccc2)C[C@@H]1CO 88158074 573089710 /nfs/dbraw/zinc/08/97/10/573089710.db2.gz DZOFBAGXXDCQBH-OLZOCXBDSA-N 0 0 190.286 2.593 10 0 AFAERN OC[C@@H]1CC12CCCCCCC2 88158053 573089111 /nfs/dbraw/zinc/08/91/11/573089111.db2.gz FAAIUQKBAHNPTJ-JTQLQIEISA-N 0 0 168.280 2.729 10 0 AFAERN C[C@H](F)CCn1ccc(C2CC2)n1 308259616 573089131 /nfs/dbraw/zinc/08/91/31/573089131.db2.gz MTDFQYLZHUFWEY-QMMMGPOBSA-N 0 0 182.242 2.509 10 0 AFAERN Oc1cccc(-c2cncs2)c1 114518982 573089147 /nfs/dbraw/zinc/08/91/47/573089147.db2.gz XGDNXKHAMRBELS-UHFFFAOYSA-N 0 0 177.228 2.516 10 0 AFAERN CCc1ccc([C@]2(C)C[C@H]2CO)s1 88158444 573089150 /nfs/dbraw/zinc/08/91/50/573089150.db2.gz ZMMUGLGWXOIWSU-GZMMTYOYSA-N 0 0 196.315 2.580 10 0 AFAERN Cc1cn(CC(C)C)c(=S)[nH]1 88154400 573089164 /nfs/dbraw/zinc/08/91/64/573089164.db2.gz DFZPOFHBQJHNCJ-UHFFFAOYSA-N 0 0 170.281 2.510 10 0 AFAERN Cc1ccc([C@@]2(C)C[C@@H]2CO)cc1C 88158383 573089239 /nfs/dbraw/zinc/08/92/39/573089239.db2.gz IYTVACIVDRVVQU-CHWSQXEVSA-N 0 0 190.286 2.573 10 0 AFAERN CC(C)(C)c1c[nH]c2ncccc12 114534716 573089736 /nfs/dbraw/zinc/08/97/36/573089736.db2.gz FZNBLVHGXMUTQW-UHFFFAOYSA-N 0 0 174.247 2.860 10 0 AFAERN OC[C@H]1C[C@@H]1c1ccc(C2CC2)cc1 88158327 573089290 /nfs/dbraw/zinc/08/92/90/573089290.db2.gz NAWSTZBQTAAYKA-CHWSQXEVSA-N 0 0 188.270 2.660 10 0 AFAERN CCC[C@H]1CC(=C(C)C)[C@@H](O)C1 238275684 573089379 /nfs/dbraw/zinc/08/93/79/573089379.db2.gz LTXGXFBIVNNLNT-ONGXEEELSA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C)CCC[C@]2(C[C@H]2CO)C1 88158400 573089408 /nfs/dbraw/zinc/08/94/08/573089408.db2.gz SEQSLMYBLAYWRQ-ONGXEEELSA-N 0 0 168.280 2.585 10 0 AFAERN CCc1ccc(Cl)cc1NC(C)=O 238275103 573089433 /nfs/dbraw/zinc/08/94/33/573089433.db2.gz JKZINFGJTVXLOE-UHFFFAOYSA-N 0 0 197.665 2.861 10 0 AFAERN Cc1cn([C@H](C)C2CC2)c(=S)[nH]1 88154549 573089493 /nfs/dbraw/zinc/08/94/93/573089493.db2.gz RLOMPHYBPBQVQL-SSDOTTSWSA-N 0 0 182.292 2.825 10 0 AFAERN OC[C@@H]1C[C@H]1c1ccc(C2CC2)cc1 88158328 573089661 /nfs/dbraw/zinc/08/96/61/573089661.db2.gz NAWSTZBQTAAYKA-STQMWFEESA-N 0 0 188.270 2.660 10 0 AFAERN CCC(C)(C)n1cc(C)[nH]c1=S 88154409 573089677 /nfs/dbraw/zinc/08/96/77/573089677.db2.gz FVHGAQZJKYWMFY-UHFFFAOYSA-N 0 0 184.308 2.999 10 0 AFAERN CC[Si](C)(/C=C/[C@@H](C)O)CC 238273159 573089694 /nfs/dbraw/zinc/08/96/94/573089694.db2.gz DASABXLCZQGDGK-FCZSHJHJSA-N 0 0 172.344 2.581 10 0 AFAERN CC[C@H](C)[C@H]1CCC[C@@H](CO)C1 238273542 573089852 /nfs/dbraw/zinc/08/98/52/573089852.db2.gz XXAJOQYNFASVJG-AXFHLTTASA-N 0 0 170.296 2.831 10 0 AFAERN OC[C@H]1CC12CCCCCCC2 88158052 573089827 /nfs/dbraw/zinc/08/98/27/573089827.db2.gz FAAIUQKBAHNPTJ-SNVBAGLBSA-N 0 0 168.280 2.729 10 0 AFAERN CC1(C)CCC[C@@]2(C[C@@H]2CO)C1 88158399 573089875 /nfs/dbraw/zinc/08/98/75/573089875.db2.gz SEQSLMYBLAYWRQ-MWLCHTKSSA-N 0 0 168.280 2.585 10 0 AFAERN CCc1c[nH]cc1C(C)C 104625206 573089946 /nfs/dbraw/zinc/08/99/46/573089946.db2.gz DDIDKLPJUPEDKZ-UHFFFAOYSA-N 0 0 137.226 2.701 10 0 AFAERN CC1(C)CCC[C@]2(C[C@@H]2CO)C1 88158398 573090023 /nfs/dbraw/zinc/09/00/23/573090023.db2.gz SEQSLMYBLAYWRQ-KOLCDFICSA-N 0 0 168.280 2.585 10 0 AFAERN C[C@]1(C2CCCCC2)C[C@H]1CO 88158220 573090102 /nfs/dbraw/zinc/09/01/02/573090102.db2.gz VJJHRQRVQOYXLG-WDEREUQCSA-N 0 0 168.280 2.585 10 0 AFAERN CCCc1cc(CC)nc(Cl)n1 238275842 573090111 /nfs/dbraw/zinc/09/01/11/573090111.db2.gz SAAQBLLBLIAURI-UHFFFAOYSA-N 0 0 184.670 2.645 10 0 AFAERN C/C=C/CN(CCC)CC(F)(F)F 308500774 573090129 /nfs/dbraw/zinc/09/01/29/573090129.db2.gz WRMRLRPLMBWKQP-HWKANZROSA-N 0 0 195.228 2.837 10 0 AFAERN CC(C)=C[C@H](NN)C(C(C)C)C(C)C 308500448 573090211 /nfs/dbraw/zinc/09/02/11/573090211.db2.gz WAHKPQADPAHXQF-NSHDSACASA-N 0 0 198.354 2.713 10 0 AFAERN CC(C)[C@@]1(c2cccs2)C[C@H]1CO 88158149 573090219 /nfs/dbraw/zinc/09/02/19/573090219.db2.gz VGDZIRYBEWLEPS-ONGXEEELSA-N 0 0 196.315 2.654 10 0 AFAERN Cc1cn(C2CCCC2)c(=S)[nH]1 88154402 573090272 /nfs/dbraw/zinc/09/02/72/573090272.db2.gz IMQAJUCWLHAJHC-UHFFFAOYSA-N 0 0 182.292 2.969 10 0 AFAERN CC[C@H](C)[C@@H]1C(=O)CC[C@@H]1C 238275362 573090351 /nfs/dbraw/zinc/09/03/51/573090351.db2.gz KBDVLFQSJOPVMJ-NRPADANISA-N 0 0 154.253 2.648 10 0 AFAERN Cc1coc(Oc2ccc(F)cc2)n1 257943159 573090383 /nfs/dbraw/zinc/09/03/83/573090383.db2.gz VVSVQKNKJANGNB-UHFFFAOYSA-N 0 0 193.177 2.914 10 0 AFAERN CC[C@@H]1C[C@@H]2CCC(=O)[C@@H]2[C@@H]1C 238273175 573090448 /nfs/dbraw/zinc/09/04/48/573090448.db2.gz FDYFKGJXEYRUMG-SDNRWEOFSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@]1(C2CCCCC2)C[C@@H]1CO 88158219 573090538 /nfs/dbraw/zinc/09/05/38/573090538.db2.gz VJJHRQRVQOYXLG-MNOVXSKESA-N 0 0 168.280 2.585 10 0 AFAERN Cc1[nH]ccc1/C=C\C(C)C 212064611 573090562 /nfs/dbraw/zinc/09/05/62/573090562.db2.gz NAKIPEWDDVQPJY-PLNGDYQASA-N 0 0 149.237 2.992 10 0 AFAERN CCc1ccc([C@]2(C)C[C@@H]2CO)s1 88158442 573090563 /nfs/dbraw/zinc/09/05/63/573090563.db2.gz ZMMUGLGWXOIWSU-LDYMZIIASA-N 0 0 196.315 2.580 10 0 AFAERN CC(C)[C@]1(c2ccccc2)C[C@H]1CO 88158076 573090571 /nfs/dbraw/zinc/09/05/71/573090571.db2.gz DZOFBAGXXDCQBH-STQMWFEESA-N 0 0 190.286 2.593 10 0 AFAERN Cc1ccc(N)c(-c2ncc(C)o2)c1 82530116 573090944 /nfs/dbraw/zinc/09/09/44/573090944.db2.gz AYLUSZLTIBQWCT-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCC(=O)CCc1ccc(F)cc1F 50885155 573090691 /nfs/dbraw/zinc/09/06/91/573090691.db2.gz DJXWPWZWZNHKQK-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN Cc1cn([C@@H]2CC2(C)C)c(=S)[nH]1 88154957 573090929 /nfs/dbraw/zinc/09/09/29/573090929.db2.gz MKHQYZQJFUTFMM-SSDOTTSWSA-N 0 0 182.292 2.825 10 0 AFAERN CCc1ccc([C@@]2(C)C[C@H]2CO)s1 88158445 573090767 /nfs/dbraw/zinc/09/07/67/573090767.db2.gz ZMMUGLGWXOIWSU-KWQFWETISA-N 0 0 196.315 2.580 10 0 AFAERN Cc1cc(C)c(SCO)c(C)c1 259325548 573090785 /nfs/dbraw/zinc/09/07/85/573090785.db2.gz WMNMKFWJEVNIAI-UHFFFAOYSA-N 0 0 182.288 2.654 10 0 AFAERN CC[C@@H]1C[C@@H]2CCCC(=O)[C@@H]2C1 238273196 573090822 /nfs/dbraw/zinc/09/08/22/573090822.db2.gz QSQCPTQGECBOHF-KXUCPTDWSA-N 0 0 166.264 2.792 10 0 AFAERN CCCCc1[nH]ccc1C 104630176 573094804 /nfs/dbraw/zinc/09/48/04/573094804.db2.gz KTEUGGVWLIBZQV-UHFFFAOYSA-N 0 0 137.226 2.666 10 0 AFAERN C[C@@H]1CC(C)(C)CC[C@]12C[C@@H]2CO 88158180 573090828 /nfs/dbraw/zinc/09/08/28/573090828.db2.gz GIAUMNWBMWBIFL-FOGDFJRCSA-N 0 0 182.307 2.831 10 0 AFAERN Cc1ccc(-c2c(N)noc2C)cc1 82530087 573090857 /nfs/dbraw/zinc/09/08/57/573090857.db2.gz QMASXQYNTZYUMF-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1Cn1cccc1 717111177 573090858 /nfs/dbraw/zinc/09/08/58/573090858.db2.gz VFBLOKASYQVENH-WISYIIOYSA-N 0 0 175.275 2.780 10 0 AFAERN CC[C@H](C)/C=C/C=C/[C@@H](C)O 238277574 573098228 /nfs/dbraw/zinc/09/82/28/573098228.db2.gz WSTYTGMGNCBUPW-PFTSESHRSA-N 0 0 154.253 2.526 10 0 AFAERN C/C=C/C(=O)N[C@@H]1CCCCC[C@@H]1C 85629126 573091492 /nfs/dbraw/zinc/09/14/92/573091492.db2.gz NVODUIFIEAFEIW-RYBICEQDSA-N 0 0 195.306 2.648 10 0 AFAERN Cc1ccc(C)c([C@]2(C)C[C@H]2CO)c1 88158238 573091500 /nfs/dbraw/zinc/09/15/00/573091500.db2.gz RFTPKZAQOUWGDB-WCQYABFASA-N 0 0 190.286 2.573 10 0 AFAERN CC[C@H](C)Cn1cc(C)[nH]c1=S 88155058 573091599 /nfs/dbraw/zinc/09/15/99/573091599.db2.gz RATGHIHLOAZQQO-ZETCQYMHSA-N 0 0 184.308 2.900 10 0 AFAERN Cc1cn(CCC2CC2)c(=S)[nH]1 88155349 573091678 /nfs/dbraw/zinc/09/16/78/573091678.db2.gz GGPLDKPAINBWLX-UHFFFAOYSA-N 0 0 182.292 2.654 10 0 AFAERN CC1(C)CCC[C@@]2(C[C@H]2CO)C1 88158401 573091723 /nfs/dbraw/zinc/09/17/23/573091723.db2.gz SEQSLMYBLAYWRQ-GXSJLCMTSA-N 0 0 168.280 2.585 10 0 AFAERN CC(C)[C@]1(c2cccs2)C[C@H]1CO 88158148 573091731 /nfs/dbraw/zinc/09/17/31/573091731.db2.gz VGDZIRYBEWLEPS-GXSJLCMTSA-N 0 0 196.315 2.654 10 0 AFAERN Cc1ccc(C)c([C@]2(C)C[C@@H]2CO)c1 88158236 573091807 /nfs/dbraw/zinc/09/18/07/573091807.db2.gz RFTPKZAQOUWGDB-DGCLKSJQSA-N 0 0 190.286 2.573 10 0 AFAERN Cc1ccc([C@]2(C)C[C@@H]2CO)cc1C 88158382 573092494 /nfs/dbraw/zinc/09/24/94/573092494.db2.gz IYTVACIVDRVVQU-OLZOCXBDSA-N 0 0 190.286 2.573 10 0 AFAERN C[C@]1(C2CCCCC2)C[C@@H]1CO 88158218 573092054 /nfs/dbraw/zinc/09/20/54/573092054.db2.gz VJJHRQRVQOYXLG-GHMZBOCLSA-N 0 0 168.280 2.585 10 0 AFAERN Cc1ccccc1-c1c(N)noc1C 82530085 573092070 /nfs/dbraw/zinc/09/20/70/573092070.db2.gz HTOQAGCDCQWYOM-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C/C=C/C(=O)N[C@H]1CCCCC[C@@H]1C 85629129 573092125 /nfs/dbraw/zinc/09/21/25/573092125.db2.gz NVODUIFIEAFEIW-HFCJNZDQSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)[C@@]1(c2cccs2)C[C@@H]1CO 88158147 573092275 /nfs/dbraw/zinc/09/22/75/573092275.db2.gz VGDZIRYBEWLEPS-KOLCDFICSA-N 0 0 196.315 2.654 10 0 AFAERN Cc1ccc(C)c([C@@]2(C)C[C@@H]2CO)c1 88158237 573092291 /nfs/dbraw/zinc/09/22/91/573092291.db2.gz RFTPKZAQOUWGDB-YPMHNXCESA-N 0 0 190.286 2.573 10 0 AFAERN C[C@@]1(C2CCCCC2)C[C@H]1CO 88158221 573092405 /nfs/dbraw/zinc/09/24/05/573092405.db2.gz VJJHRQRVQOYXLG-QWRGUYRKSA-N 0 0 168.280 2.585 10 0 AFAERN Cc1cn([C@H]2CC2(C)C)c(=S)[nH]1 88154959 573092439 /nfs/dbraw/zinc/09/24/39/573092439.db2.gz MKHQYZQJFUTFMM-ZETCQYMHSA-N 0 0 182.292 2.825 10 0 AFAERN CCCc1cc(C)cc(NC(C)=O)c1 238275322 573092453 /nfs/dbraw/zinc/09/24/53/573092453.db2.gz ABNIOULPQNXLQJ-UHFFFAOYSA-N 0 0 191.274 2.906 10 0 AFAERN CC[C@@H](C)c1nc2c(N)cccc2[nH]1 82539401 573092467 /nfs/dbraw/zinc/09/24/67/573092467.db2.gz FHQVSWNFBMDGFB-SSDOTTSWSA-N 0 0 189.262 2.659 10 0 AFAERN CC(C)[C@@]1(c2ccccc2)C[C@@H]1CO 88158075 573092471 /nfs/dbraw/zinc/09/24/71/573092471.db2.gz DZOFBAGXXDCQBH-CHWSQXEVSA-N 0 0 190.286 2.593 10 0 AFAERN CS[C@@H]1CCCC[C@@H]1F 114570316 573092485 /nfs/dbraw/zinc/09/24/85/573092485.db2.gz PCLYWTBYNXWRCT-NKWVEPMBSA-N 0 0 148.246 2.630 10 0 AFAERN CCC/C=C/[C@@H](CCCC)NC(N)=O 308258662 573092797 /nfs/dbraw/zinc/09/27/97/573092797.db2.gz CIQQJUNQKGIKSA-TTZKWOQHSA-N 0 0 198.310 2.570 10 0 AFAERN CS[C@H]1CCCC[C@H]1F 114570318 573092904 /nfs/dbraw/zinc/09/29/04/573092904.db2.gz PCLYWTBYNXWRCT-RQJHMYQMSA-N 0 0 148.246 2.630 10 0 AFAERN CNC(=S)c1ccc(C)c(C)c1C 259325964 573092955 /nfs/dbraw/zinc/09/29/55/573092955.db2.gz ULDWFSWOUHYQNX-UHFFFAOYSA-N 0 0 193.315 2.507 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1Cn1cccc1 717111173 573092991 /nfs/dbraw/zinc/09/29/91/573092991.db2.gz VFBLOKASYQVENH-RHYQMDGZSA-N 0 0 175.275 2.780 10 0 AFAERN CC(C)=C[C@@H](C)OC(=O)C(C)(C)C 308259698 573093053 /nfs/dbraw/zinc/09/30/53/573093053.db2.gz MUHQNFHQPCBXJN-SECBINFHSA-N 0 0 184.279 2.930 10 0 AFAERN CC[C@@H]1C[C@H]2CCCC(=O)[C@@H]2C1 238273622 573093130 /nfs/dbraw/zinc/09/31/30/573093130.db2.gz QSQCPTQGECBOHF-OPRDCNLKSA-N 0 0 166.264 2.792 10 0 AFAERN CCCc1cc(C)c(C)cc1O 238275130 573093328 /nfs/dbraw/zinc/09/33/28/573093328.db2.gz NJVWDGBUNSHKRO-UHFFFAOYSA-N 0 0 164.248 2.962 10 0 AFAERN CCC[C@H]1CCCC2=C1NC(=O)CC2 238272901 573093393 /nfs/dbraw/zinc/09/33/93/573093393.db2.gz ORDSAANAOWOKOF-VIFPVBQESA-N 0 0 193.290 2.751 10 0 AFAERN CC/C=C/COC(=O)c1cccs1 308500704 573093369 /nfs/dbraw/zinc/09/33/69/573093369.db2.gz WOCQWHWYOPSCBE-ONEGZZNKSA-N 0 0 196.271 2.871 10 0 AFAERN CCC/C=C/[C@H](CCCC)NC(N)=O 308258661 573093487 /nfs/dbraw/zinc/09/34/87/573093487.db2.gz CIQQJUNQKGIKSA-PCYYEKQGSA-N 0 0 198.310 2.570 10 0 AFAERN CCc1ccc([C@@]2(C)C[C@H]2CO)cc1 88159098 573093557 /nfs/dbraw/zinc/09/35/57/573093557.db2.gz UBIOBKOVIYTEAZ-QWHCGFSZSA-N 0 0 190.286 2.519 10 0 AFAERN OC[C@H]1C[C@H]1c1cc2ccccc2o1 88158947 573093585 /nfs/dbraw/zinc/09/35/85/573093585.db2.gz SURMJASPPOXJIM-NXEZZACHSA-N 0 0 188.226 2.529 10 0 AFAERN O=Nc1ccc2[nH]ccc2c1 104630879 573093602 /nfs/dbraw/zinc/09/36/02/573093602.db2.gz VDUDMLINBJQBSQ-UHFFFAOYSA-N 0 0 146.149 2.566 10 0 AFAERN OC[C@@H]1C[C@@H]1CC1CCCCC1 88158876 573093604 /nfs/dbraw/zinc/09/36/04/573093604.db2.gz RLSICHACXFVABF-QWRGUYRKSA-N 0 0 168.280 2.585 10 0 AFAERN CC[C@@H]1CCC[C@@]2(CC1)C[C@@H]2CO 88158625 573093623 /nfs/dbraw/zinc/09/36/23/573093623.db2.gz HGUWLYIKUPZCSH-IJLUTSLNSA-N 0 0 182.307 2.975 10 0 AFAERN C[C@H](NCCCC1CC1)C(F)(F)F 308258486 573093635 /nfs/dbraw/zinc/09/36/35/573093635.db2.gz MHJHNUCFGMOTAB-ZETCQYMHSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@@H]1CCC[C@]2(CC1)C[C@@H]2CO 88158627 573093660 /nfs/dbraw/zinc/09/36/60/573093660.db2.gz HGUWLYIKUPZCSH-UTUOFQBUSA-N 0 0 182.307 2.975 10 0 AFAERN CC1(C)CCC[C@@]2(CC1)C[C@@H]2CO 88158629 573093709 /nfs/dbraw/zinc/09/37/09/573093709.db2.gz FHLLCMMCYVUDFP-ZYHUDNBSSA-N 0 0 182.307 2.975 10 0 AFAERN CCc1ccc([C@]2(C)C[C@H]2CO)cc1 88159097 573093724 /nfs/dbraw/zinc/09/37/24/573093724.db2.gz UBIOBKOVIYTEAZ-STQMWFEESA-N 0 0 190.286 2.519 10 0 AFAERN OC[C@@H]1C[C@H]1c1cccc(C2CC2)c1 88158859 573093733 /nfs/dbraw/zinc/09/37/33/573093733.db2.gz UBICXOBEZIOALT-STQMWFEESA-N 0 0 188.270 2.660 10 0 AFAERN CC1(C)CCC[C@@]2(CC1)C[C@H]2CO 88158631 573093745 /nfs/dbraw/zinc/09/37/45/573093745.db2.gz FHLLCMMCYVUDFP-CMPLNLGQSA-N 0 0 182.307 2.975 10 0 AFAERN CCCc1cc(CC)c(O)cc1O 238275794 573093748 /nfs/dbraw/zinc/09/37/48/573093748.db2.gz REHXJKFOMGHEEL-UHFFFAOYSA-N 0 0 180.247 2.613 10 0 AFAERN OC[C@H]1C[C@H]1c1cccc(C2CC2)c1 88158857 573093798 /nfs/dbraw/zinc/09/37/98/573093798.db2.gz UBICXOBEZIOALT-OLZOCXBDSA-N 0 0 188.270 2.660 10 0 AFAERN CCCC1(C2CCC(=O)CC2)COC1 258477712 573093829 /nfs/dbraw/zinc/09/38/29/573093829.db2.gz BELHSFDCUNLCIH-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN CC[C@]1(c2ccc(C)cc2)C[C@@H]1CO 88158711 573093848 /nfs/dbraw/zinc/09/38/48/573093848.db2.gz MIPJFABIRFGYHR-CHWSQXEVSA-N 0 0 190.286 2.655 10 0 AFAERN CC[Si](C)(/C=C/[C@H](C)O)CC 238273176 573093853 /nfs/dbraw/zinc/09/38/53/573093853.db2.gz DASABXLCZQGDGK-FLOXNTQESA-N 0 0 172.344 2.581 10 0 AFAERN CC(C)=C[C@@H](NN)C(C(C)C)C(C)C 308500447 573093862 /nfs/dbraw/zinc/09/38/62/573093862.db2.gz WAHKPQADPAHXQF-LLVKDONJSA-N 0 0 198.354 2.713 10 0 AFAERN Cc1ccc([C@@]2(C)C[C@H]2CO)c(C)c1 88158648 573094146 /nfs/dbraw/zinc/09/41/46/573094146.db2.gz OTOCCGGWNOKOOR-AAEUAGOBSA-N 0 0 190.286 2.573 10 0 AFAERN OC[C@H]1C[C@H]1CC1CCCCC1 88158873 573094156 /nfs/dbraw/zinc/09/41/56/573094156.db2.gz RLSICHACXFVABF-GHMZBOCLSA-N 0 0 168.280 2.585 10 0 AFAERN CCc1ccc([C@]2(C)C[C@@H]2CO)cc1 88159095 573094189 /nfs/dbraw/zinc/09/41/89/573094189.db2.gz UBIOBKOVIYTEAZ-OLZOCXBDSA-N 0 0 190.286 2.519 10 0 AFAERN CC(C)(C)ONC[C@@]1(C)CC1(C)C 717126023 573094195 /nfs/dbraw/zinc/09/41/95/573094195.db2.gz JWRRREJURIULCO-LLVKDONJSA-N 0 0 185.311 2.742 10 0 AFAERN CC[C@H]1CCCC[C@]12C[C@@H]2CO 88158532 573094225 /nfs/dbraw/zinc/09/42/25/573094225.db2.gz FDEQPXZHSPTNQQ-AXFHLTTASA-N 0 0 168.280 2.585 10 0 AFAERN Cc1cc(N)cc(C)c1OCC1CC1 82538786 573094268 /nfs/dbraw/zinc/09/42/68/573094268.db2.gz GSCHRGWBSINPDC-UHFFFAOYSA-N 0 0 191.274 2.674 10 0 AFAERN CCc1ccc(F)c2oncc12 238277257 573094808 /nfs/dbraw/zinc/09/48/08/573094808.db2.gz ROFLCAVDOKYUSG-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN CC1(C)CCC2(CC1)C[C@@H]2CO 88159178 573094342 /nfs/dbraw/zinc/09/43/42/573094342.db2.gz DVORWOKDOSVFOM-SECBINFHSA-N 0 0 168.280 2.585 10 0 AFAERN CCCC1CCC2(CC1)C[C@@H]2CO 88158927 573094349 /nfs/dbraw/zinc/09/43/49/573094349.db2.gz GVTFOEQOOYIDCY-MOENNCHZSA-N 0 0 182.307 2.975 10 0 AFAERN OC[C@@H]1C[C@@H]1c1cccc(C2CC2)c1 88158860 573094366 /nfs/dbraw/zinc/09/43/66/573094366.db2.gz UBICXOBEZIOALT-QWHCGFSZSA-N 0 0 188.270 2.660 10 0 AFAERN CC[C@@H]1CCCC[C@]12C[C@@H]2CO 88158531 573094369 /nfs/dbraw/zinc/09/43/69/573094369.db2.gz FDEQPXZHSPTNQQ-MXWKQRLJSA-N 0 0 168.280 2.585 10 0 AFAERN FCc1cccc2cc[nH]c12 104630909 573094383 /nfs/dbraw/zinc/09/43/83/573094383.db2.gz JJDOVEFEANLETE-UHFFFAOYSA-N 0 0 149.168 2.637 10 0 AFAERN OC[C@@H]1C[C@@H]1c1ccccc1C1CC1 88158640 573094391 /nfs/dbraw/zinc/09/43/91/573094391.db2.gz VIZJAIWQUUNJHU-GWCFXTLKSA-N 0 0 188.270 2.660 10 0 AFAERN C/C=C/C(=O)N[C@H]1CCCCC[C@H]1C 85629137 573094422 /nfs/dbraw/zinc/09/44/22/573094422.db2.gz NVODUIFIEAFEIW-JZAOELKXSA-N 0 0 195.306 2.648 10 0 AFAERN CC[C@@H](CO)n1ccc2ccccc21 238276939 573094496 /nfs/dbraw/zinc/09/44/96/573094496.db2.gz BMRSAEGJKYYWAC-NSHDSACASA-N 0 0 189.258 2.585 10 0 AFAERN CC1(C)CCCC[C@@]12C[C@H]2CO 88158957 573094536 /nfs/dbraw/zinc/09/45/36/573094536.db2.gz NBQCDONFBZAMQE-ONGXEEELSA-N 0 0 168.280 2.585 10 0 AFAERN OC[C@@H]1C[C@H]1C1CCCCCC1 88158839 573094608 /nfs/dbraw/zinc/09/46/08/573094608.db2.gz WLTRQYSEWJLGDX-QWRGUYRKSA-N 0 0 168.280 2.585 10 0 AFAERN Cc1ccc([C@]2(C)C[C@H]2CO)c(C)c1 88158647 573094652 /nfs/dbraw/zinc/09/46/52/573094652.db2.gz OTOCCGGWNOKOOR-WCQYABFASA-N 0 0 190.286 2.573 10 0 AFAERN C[C@@]1(c2ccc(Cl)cc2)C[C@H]1CO 88158656 573094716 /nfs/dbraw/zinc/09/47/16/573094716.db2.gz WRYTVLWYSQZIOL-ONGXEEELSA-N 0 0 196.677 2.610 10 0 AFAERN Cc1c[nH]c(Oc2cccc(F)c2)n1 257943086 573094717 /nfs/dbraw/zinc/09/47/17/573094717.db2.gz VSRGUPFCDWBVBR-UHFFFAOYSA-N 0 0 192.193 2.650 10 0 AFAERN OC[C@H]1C[C@@H]1c1ccccc1C1CC1 88158638 573094724 /nfs/dbraw/zinc/09/47/24/573094724.db2.gz VIZJAIWQUUNJHU-MFKMUULPSA-N 0 0 188.270 2.660 10 0 AFAERN Cc1c[nH]c(C(C)(C)C)c1 104629428 573094799 /nfs/dbraw/zinc/09/47/99/573094799.db2.gz KWCUTGBCSJXCTO-UHFFFAOYSA-N 0 0 137.226 2.621 10 0 AFAERN Cc1cc(C)c([C@@H]2C[C@H]2CO)c(C)c1 88158925 573094836 /nfs/dbraw/zinc/09/48/36/573094836.db2.gz UHQRSOZVUUSDST-NWDGAFQWSA-N 0 0 190.286 2.708 10 0 AFAERN CC(=O)c1ncsc1-c1ccco1 258478025 573094862 /nfs/dbraw/zinc/09/48/62/573094862.db2.gz BBMMRCCVPSJWDY-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN Cc1cc(C)c([C@H]2C[C@@H]2CO)c(C)c1 88158924 573095288 /nfs/dbraw/zinc/09/52/88/573095288.db2.gz UHQRSOZVUUSDST-NEPJUHHUSA-N 0 0 190.286 2.708 10 0 AFAERN CC[C@@]1(c2ccc(C)cc2)C[C@@H]1CO 88158712 573094940 /nfs/dbraw/zinc/09/49/40/573094940.db2.gz MIPJFABIRFGYHR-OLZOCXBDSA-N 0 0 190.286 2.655 10 0 AFAERN CC[C@@H](O)[C@@H]1C[C@H]1c1ccccc1 238277036 573095009 /nfs/dbraw/zinc/09/50/09/573095009.db2.gz ILHPBYVXKVMIMM-QJPTWQEYSA-N 0 0 176.259 2.561 10 0 AFAERN C[C@@]1(c2cccc(Cl)c2)C[C@@H]1CO 88158944 573095021 /nfs/dbraw/zinc/09/50/21/573095021.db2.gz CGSGSHKGTTUXOD-KOLCDFICSA-N 0 0 196.677 2.610 10 0 AFAERN C[C@]1(c2cccc(Cl)c2)C[C@H]1CO 88158945 573095028 /nfs/dbraw/zinc/09/50/28/573095028.db2.gz CGSGSHKGTTUXOD-GXSJLCMTSA-N 0 0 196.677 2.610 10 0 AFAERN C[C@]1(c2cccc(Cl)c2)C[C@@H]1CO 88158943 573095041 /nfs/dbraw/zinc/09/50/41/573095041.db2.gz CGSGSHKGTTUXOD-MWLCHTKSSA-N 0 0 196.677 2.610 10 0 AFAERN CC[C@@H]1CCC[C@@]2(C[C@@H]2CO)C1 88158619 573095048 /nfs/dbraw/zinc/09/50/48/573095048.db2.gz RCZNAOMJUTWANR-MXWKQRLJSA-N 0 0 168.280 2.585 10 0 AFAERN CCCCc1cc(C)c[nH]1 104629649 573095086 /nfs/dbraw/zinc/09/50/86/573095086.db2.gz MIJRSQXGDVWNPR-UHFFFAOYSA-N 0 0 137.226 2.666 10 0 AFAERN OC[C@H]1C[C@@H]1c1cc2ccccc2o1 88158948 573095139 /nfs/dbraw/zinc/09/51/39/573095139.db2.gz SURMJASPPOXJIM-ZJUUUORDSA-N 0 0 188.226 2.529 10 0 AFAERN Cc1ccc([C@@]2(C)C[C@@H]2CO)c(C)c1 88158646 573095144 /nfs/dbraw/zinc/09/51/44/573095144.db2.gz OTOCCGGWNOKOOR-YPMHNXCESA-N 0 0 190.286 2.573 10 0 AFAERN CCc1[nH]ccc1C(C)C 104630182 573095152 /nfs/dbraw/zinc/09/51/52/573095152.db2.gz UDMUKHLNYBIXTE-UHFFFAOYSA-N 0 0 137.226 2.701 10 0 AFAERN CC(C)C1CCC2(CC1)C[C@@H]2CO 88158819 573095192 /nfs/dbraw/zinc/09/51/92/573095192.db2.gz GFUYBPJNPSTQJG-MOENNCHZSA-N 0 0 182.307 2.831 10 0 AFAERN CC(C)=CCNCC(F)(F)C1CC1 308255280 573095227 /nfs/dbraw/zinc/09/52/27/573095227.db2.gz IRXCRJASGQCLBA-UHFFFAOYSA-N 0 0 189.249 2.588 10 0 AFAERN Cc1cc(C)c([C@H]2C[C@H]2CO)c(C)c1 88158926 573095254 /nfs/dbraw/zinc/09/52/54/573095254.db2.gz UHQRSOZVUUSDST-RYUDHWBXSA-N 0 0 190.286 2.708 10 0 AFAERN CC1(C)CNc2c(Cl)cccc2O1 259326346 573095334 /nfs/dbraw/zinc/09/53/34/573095334.db2.gz SFYQBCKWPRIXEC-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN C[C@@H]1CCC[C@@]2(CC1)C[C@@H]2CO 88158621 573095342 /nfs/dbraw/zinc/09/53/42/573095342.db2.gz JLJAURHSYRZDDG-GMTAPVOTSA-N 0 0 168.280 2.585 10 0 AFAERN CC(C)c1ccc2c(c1)CCO2 114619230 573095361 /nfs/dbraw/zinc/09/53/61/573095361.db2.gz PTWSJSBZJMBMAN-UHFFFAOYSA-N 0 0 162.232 2.745 10 0 AFAERN CNc1cccc(N(C)C(C)(C)C)c1 259327186 573095367 /nfs/dbraw/zinc/09/53/67/573095367.db2.gz RGUDBGSIVUZLFM-UHFFFAOYSA-N 0 0 192.306 2.963 10 0 AFAERN CC1(C)CCC[C@]2(CC1)C[C@@H]2CO 88158630 573095371 /nfs/dbraw/zinc/09/53/71/573095371.db2.gz FHLLCMMCYVUDFP-PWSUYJOCSA-N 0 0 182.307 2.975 10 0 AFAERN CC(C)(C)c1ccc2c(c1)CCO2 114616421 573095401 /nfs/dbraw/zinc/09/54/01/573095401.db2.gz ZCPBBEQELMXBID-UHFFFAOYSA-N 0 0 176.259 2.919 10 0 AFAERN CCOc1ccc(N)c2c1CCCC2 238275994 573095407 /nfs/dbraw/zinc/09/54/07/573095407.db2.gz OYYUMRJFFHGPDY-UHFFFAOYSA-N 0 0 191.274 2.546 10 0 AFAERN CC1(C)CCC[C@]2(CC1)C[C@H]2CO 88158632 573095457 /nfs/dbraw/zinc/09/54/57/573095457.db2.gz FHLLCMMCYVUDFP-JQWIXIFHSA-N 0 0 182.307 2.975 10 0 AFAERN CCOc1ccc(C)c2c1CCC2=O 238277627 573095462 /nfs/dbraw/zinc/09/54/62/573095462.db2.gz YDDPNYPLSNTQLC-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN CCc1ccc(F)c2cnsc12 238277218 573095470 /nfs/dbraw/zinc/09/54/70/573095470.db2.gz NDHNBPQBBCAROG-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN C[C@@H](CO)c1ccc(C2CC2)c(F)c1 257943593 573095472 /nfs/dbraw/zinc/09/54/72/573095472.db2.gz ABCKMOLOBWTKQW-QMMMGPOBSA-N 0 0 194.249 2.799 10 0 AFAERN C/C=C/C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 82551570 573095481 /nfs/dbraw/zinc/09/54/81/573095481.db2.gz SBQUUORTRCDFMF-AHSGZEFJSA-N 0 0 195.306 2.503 10 0 AFAERN CCCc1cc(Cl)nc(C=O)c1 238276507 573095500 /nfs/dbraw/zinc/09/55/00/573095500.db2.gz DEKYZJYXLAINAU-UHFFFAOYSA-N 0 0 183.638 2.500 10 0 AFAERN OC[C@H]1C[C@@H]1C1CCCCCC1 88158838 573095552 /nfs/dbraw/zinc/09/55/52/573095552.db2.gz WLTRQYSEWJLGDX-GHMZBOCLSA-N 0 0 168.280 2.585 10 0 AFAERN CC(=O)N[C@H](CC(C)C)C(C)(C)C 308255510 573095608 /nfs/dbraw/zinc/09/56/08/573095608.db2.gz KIPNRRZJQMDSTI-SNVBAGLBSA-N 0 0 185.311 2.583 10 0 AFAERN OC[C@@H]1C[C@@H]1c1cc2ccccc2o1 88158950 573095629 /nfs/dbraw/zinc/09/56/29/573095629.db2.gz SURMJASPPOXJIM-UWVGGRQHSA-N 0 0 188.226 2.529 10 0 AFAERN CCc1ccc(F)c2cnoc12 238277201 573095637 /nfs/dbraw/zinc/09/56/37/573095637.db2.gz QDANWOCGRVJBBB-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN CC1(C)CCC2(CC1)C[C@H]2CO 88159179 573095743 /nfs/dbraw/zinc/09/57/43/573095743.db2.gz DVORWOKDOSVFOM-VIFPVBQESA-N 0 0 168.280 2.585 10 0 AFAERN C/C=C/C(=O)N[C@@H]1CCCCC[C@H]1C 85629132 573095818 /nfs/dbraw/zinc/09/58/18/573095818.db2.gz NVODUIFIEAFEIW-XEQKKNTQSA-N 0 0 195.306 2.648 10 0 AFAERN CC[C@H](C)/C=C(/C)[C@H](O)CC 238277454 573095829 /nfs/dbraw/zinc/09/58/29/573095829.db2.gz MDYCHVGMFJCKQR-AGGJFOMBSA-N 0 0 156.269 2.750 10 0 AFAERN OC[C@H]1C[C@@H]1CC1CCCCC1 88158874 573095848 /nfs/dbraw/zinc/09/58/48/573095848.db2.gz RLSICHACXFVABF-WDEREUQCSA-N 0 0 168.280 2.585 10 0 AFAERN CC1(C)CCCC[C@@]12C[C@@H]2CO 88158955 573095885 /nfs/dbraw/zinc/09/58/85/573095885.db2.gz NBQCDONFBZAMQE-KOLCDFICSA-N 0 0 168.280 2.585 10 0 AFAERN C[C@H](CCC(C)(C)C)n1nccc1N 308501771 573095923 /nfs/dbraw/zinc/09/59/23/573095923.db2.gz WWNWOWJSYKDMSJ-SECBINFHSA-N 0 0 195.310 2.853 10 0 AFAERN OC[C@@H]1C[C@H]1CC1CCCCC1 88158875 573095939 /nfs/dbraw/zinc/09/59/39/573095939.db2.gz RLSICHACXFVABF-MNOVXSKESA-N 0 0 168.280 2.585 10 0 AFAERN OC[C@@H]1C[C@@H]1C1CCCCCC1 88158840 573095950 /nfs/dbraw/zinc/09/59/50/573095950.db2.gz WLTRQYSEWJLGDX-WDEREUQCSA-N 0 0 168.280 2.585 10 0 AFAERN C[C@@]1(c2cccc(Cl)c2)C[C@H]1CO 88158946 573095974 /nfs/dbraw/zinc/09/59/74/573095974.db2.gz CGSGSHKGTTUXOD-ONGXEEELSA-N 0 0 196.677 2.610 10 0 AFAERN C[C@]1(c2ccc(Cl)cc2)C[C@@H]1CO 88158653 573095995 /nfs/dbraw/zinc/09/59/95/573095995.db2.gz WRYTVLWYSQZIOL-MWLCHTKSSA-N 0 0 196.677 2.610 10 0 AFAERN C/C(CO)=C(/C)Cc1ccccc1 222621690 573096025 /nfs/dbraw/zinc/09/60/25/573096025.db2.gz WJVQCEMQZCCIEN-ZHACJKMWSA-N 0 0 176.259 2.558 10 0 AFAERN CCc1ccc([C@@]2(C)C[C@@H]2CO)cc1 88159096 573096015 /nfs/dbraw/zinc/09/60/15/573096015.db2.gz UBIOBKOVIYTEAZ-CHWSQXEVSA-N 0 0 190.286 2.519 10 0 AFAERN Cc1cc2c(O)cccc2c(Cl)n1 258234657 573096050 /nfs/dbraw/zinc/09/60/50/573096050.db2.gz PLAUWAMSIJTZJN-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CCSC(=O)c1[nH]c(C)cc1C 238277227 573096056 /nfs/dbraw/zinc/09/60/56/573096056.db2.gz CTKQAWQSLPKIFM-UHFFFAOYSA-N 0 0 183.276 2.525 10 0 AFAERN COCc1ccc(Cl)s1 114600741 573096075 /nfs/dbraw/zinc/09/60/75/573096075.db2.gz VNANQKKLJISBDU-UHFFFAOYSA-N 0 0 162.641 2.548 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@@]2(C[C@@H]2CO)C1 88158659 573096123 /nfs/dbraw/zinc/09/61/23/573096123.db2.gz SAUVOYMPZLSWDW-FOGDFJRCSA-N 0 0 182.307 2.831 10 0 AFAERN CCOc1ccc(C)c(C)c1C=O 238277551 573096144 /nfs/dbraw/zinc/09/61/44/573096144.db2.gz VATXFMXTMFTHRZ-UHFFFAOYSA-N 0 0 178.231 2.515 10 0 AFAERN CCCC1CCC2(CC1)C[C@H]2CO 88158928 573096155 /nfs/dbraw/zinc/09/61/55/573096155.db2.gz GVTFOEQOOYIDCY-CXQJBGSLSA-N 0 0 182.307 2.975 10 0 AFAERN CC(C)C1CCC2(CC1)C[C@H]2CO 88158820 573096184 /nfs/dbraw/zinc/09/61/84/573096184.db2.gz GFUYBPJNPSTQJG-CXQJBGSLSA-N 0 0 182.307 2.831 10 0 AFAERN Cc1cccc(N)c1OCCC1CC1 128634005 573096193 /nfs/dbraw/zinc/09/61/93/573096193.db2.gz WYIYTIRORVQDJP-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CC[C@@H](O)[C@@H]1C/C1=C\c1ccccc1 238277082 573096209 /nfs/dbraw/zinc/09/62/09/573096209.db2.gz QFOYOGJMZKMOEU-NALFIARHSA-N 0 0 188.270 2.861 10 0 AFAERN CCC1CCC2(CC1)C[C@H]2CO 88158538 573096277 /nfs/dbraw/zinc/09/62/77/573096277.db2.gz SSIRHPDNIZNLED-YVNMAJEFSA-N 0 0 168.280 2.585 10 0 AFAERN CC/C(=C(/C)CO)c1ccccc1 238277179 573096278 /nfs/dbraw/zinc/09/62/78/573096278.db2.gz BZCJPNPFNDDWQA-ZRDIBKRKSA-N 0 0 176.259 2.862 10 0 AFAERN CC[C@@]1(c2ccc(C)cc2)C[C@H]1CO 88158714 573096332 /nfs/dbraw/zinc/09/63/32/573096332.db2.gz MIPJFABIRFGYHR-STQMWFEESA-N 0 0 190.286 2.655 10 0 AFAERN OC[C@H]1C[C@H]1C1CCCCCC1 88158837 573096359 /nfs/dbraw/zinc/09/63/59/573096359.db2.gz WLTRQYSEWJLGDX-MNOVXSKESA-N 0 0 168.280 2.585 10 0 AFAERN Cc1cc(F)cc2occc12 114628928 573096365 /nfs/dbraw/zinc/09/63/65/573096365.db2.gz LHNRDYCDMDRQSD-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN CC1(C)CCCC[C@]12C[C@H]2CO 88158958 573096369 /nfs/dbraw/zinc/09/63/69/573096369.db2.gz NBQCDONFBZAMQE-GXSJLCMTSA-N 0 0 168.280 2.585 10 0 AFAERN OC[C@@H]1C[C@H]1c1cc2ccccc2o1 88158949 573096384 /nfs/dbraw/zinc/09/63/84/573096384.db2.gz SURMJASPPOXJIM-VHSXEESVSA-N 0 0 188.226 2.529 10 0 AFAERN Cc1ccc(OCC[C@@H](C)F)nc1 308255026 573096392 /nfs/dbraw/zinc/09/63/92/573096392.db2.gz KCAKIKJMHVJQMX-SECBINFHSA-N 0 0 183.226 2.517 10 0 AFAERN C[C@@]1(c2ccc(Cl)cc2)C[C@@H]1CO 88158654 573096393 /nfs/dbraw/zinc/09/63/93/573096393.db2.gz WRYTVLWYSQZIOL-KOLCDFICSA-N 0 0 196.677 2.610 10 0 AFAERN Cc1ccc(C)n1CC1CCOCC1 82545312 573096401 /nfs/dbraw/zinc/09/64/01/573096401.db2.gz WBMKFTVQXCNYGA-UHFFFAOYSA-N 0 0 193.290 2.532 10 0 AFAERN OC[C@H]1C[C@H]1c1ccccc1C1CC1 88158637 573096525 /nfs/dbraw/zinc/09/65/25/573096525.db2.gz VIZJAIWQUUNJHU-ZWNOBZJWSA-N 0 0 188.270 2.660 10 0 AFAERN CC[C@@H]1CCCC[C@@]12C[C@@H]2CO 88158529 573096545 /nfs/dbraw/zinc/09/65/45/573096545.db2.gz FDEQPXZHSPTNQQ-GMTAPVOTSA-N 0 0 168.280 2.585 10 0 AFAERN CC[C@@H](CO)c1c[nH]c2ccccc12 238276746 573096550 /nfs/dbraw/zinc/09/65/50/573096550.db2.gz DRTMEGOXBGRCEB-VIFPVBQESA-N 0 0 189.258 2.654 10 0 AFAERN CC[C@H](C)C(=O)c1ccc(C)nc1 82561299 573098097 /nfs/dbraw/zinc/09/80/97/573098097.db2.gz XLJMCCPTQQHHPY-QMMMGPOBSA-N 0 0 177.247 2.619 10 0 AFAERN OC[C@@H]1C[C@H]1c1ccccc1C1CC1 88158639 573096648 /nfs/dbraw/zinc/09/66/48/573096648.db2.gz VIZJAIWQUUNJHU-GXFFZTMASA-N 0 0 188.270 2.660 10 0 AFAERN CCc1ccc(F)c2c1CCC2=O 238276874 573096669 /nfs/dbraw/zinc/09/66/69/573096669.db2.gz YOBHLGLPSDMJFB-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN CCC1CCC2(CC1)C[C@@H]2CO 88158537 573096692 /nfs/dbraw/zinc/09/66/92/573096692.db2.gz SSIRHPDNIZNLED-HSOILSAZSA-N 0 0 168.280 2.585 10 0 AFAERN C=C/C(C)=C\CC 114599407 573096696 /nfs/dbraw/zinc/09/66/96/573096696.db2.gz CBMWBIMXKNMQBL-SREVYHEPSA-N 0 0 96.173 2.529 10 0 AFAERN CC[C@@H](O)[C@@H]1CC2CCC1CC2 238276336 573096715 /nfs/dbraw/zinc/09/67/15/573096715.db2.gz WSYQSOUBDGDSNV-JPPWEJMLSA-N 0 0 168.280 2.584 10 0 AFAERN CC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 143948290 573096719 /nfs/dbraw/zinc/09/67/19/573096719.db2.gz VPDSZJSSMPCHIR-JFUSQASVSA-N 0 0 174.243 2.625 10 0 AFAERN C[C@@H]1CCC[C@]2(CC1)C[C@@H]2CO 88158623 573096735 /nfs/dbraw/zinc/09/67/35/573096735.db2.gz JLJAURHSYRZDDG-MXWKQRLJSA-N 0 0 168.280 2.585 10 0 AFAERN CC[C@@H](C)c1ncc([C@@H](C)O)s1 82562770 573096926 /nfs/dbraw/zinc/09/69/26/573096926.db2.gz YAHHHHLTDWLZHD-RNFRBKRXSA-N 0 0 185.292 2.710 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@H]2C)cc1 88177121 573098136 /nfs/dbraw/zinc/09/81/36/573098136.db2.gz WMYHUFIBLZQEBD-ONGXEEELSA-N 0 0 174.243 2.688 10 0 AFAERN CC(C)C[C@@H](C)C(=O)C[C@H]1CCCO1 308501078 573096943 /nfs/dbraw/zinc/09/69/43/573096943.db2.gz WNGMYJRUSHCACP-GHMZBOCLSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)(C)c1cc(F)c(O)c(F)c1 114625022 573096988 /nfs/dbraw/zinc/09/69/88/573096988.db2.gz LTCZIPBXQXTKKR-UHFFFAOYSA-N 0 0 186.201 2.968 10 0 AFAERN C[C@H]1C[C@H]([C@@H](C)O)CC(C)(C)C1 85658284 573097054 /nfs/dbraw/zinc/09/70/54/573097054.db2.gz PNWJVHYZMCSHNP-AEJSXWLSSA-N 0 0 170.296 2.830 10 0 AFAERN CCCc1ccc(N)cc1C 104632972 573097060 /nfs/dbraw/zinc/09/70/60/573097060.db2.gz MDHZXPXDZRWSEU-UHFFFAOYSA-N 0 0 149.237 2.530 10 0 AFAERN CC(C)c1oc(N)nc1C(C)(C)C 257940703 573097125 /nfs/dbraw/zinc/09/71/25/573097125.db2.gz UXWDVIARTZIQGD-UHFFFAOYSA-N 0 0 182.267 2.678 10 0 AFAERN CC[C@H](c1ccc(C)cc1)[C@@H](C)O 85658558 573097187 /nfs/dbraw/zinc/09/71/87/573097187.db2.gz AFUUNPAORHUNIG-PWSUYJOCSA-N 0 0 178.275 2.869 10 0 AFAERN CC[C@H](C)[C@H](O)c1ccccc1F 82561433 573097219 /nfs/dbraw/zinc/09/72/19/573097219.db2.gz SJMKGBDFHIVAJR-KWQFWETISA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)C[C@H](C)C(=O)C[C@H]1CCCO1 308501081 573097236 /nfs/dbraw/zinc/09/72/36/573097236.db2.gz WNGMYJRUSHCACP-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN OCC[C@@H]1C[C@@H]1/C=C/c1ccccc1 393657294 573097252 /nfs/dbraw/zinc/09/72/52/573097252.db2.gz MCWWWFONFXGFMG-VFZNBBLXSA-N 0 0 188.270 2.718 10 0 AFAERN CCSC(=O)Nc1ccco1 238276238 573097263 /nfs/dbraw/zinc/09/72/63/573097263.db2.gz WTPVUYQRMSXAFP-UHFFFAOYSA-N 0 0 171.221 2.565 10 0 AFAERN C[C@H](O)[C@@H](c1ccccc1)C1CC1 85658469 573097284 /nfs/dbraw/zinc/09/72/84/573097284.db2.gz BZJVUPKCKOJSFX-CABZTGNLSA-N 0 0 176.259 2.561 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]1C(C)(C)C 88177627 573097310 /nfs/dbraw/zinc/09/73/10/573097310.db2.gz XGRBCHZUFUDNPQ-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1C(=O)C[C@H]1c1cc(F)ccc1F 88177042 573097320 /nfs/dbraw/zinc/09/73/20/573097320.db2.gz MJFDTOTUCXQREO-HTRCEHHLSA-N 0 0 196.196 2.657 10 0 AFAERN Cc1ccccc1[C@@H]1C[C@H](O)C1(C)C 88179048 573097337 /nfs/dbraw/zinc/09/73/37/573097337.db2.gz BAWXJZNLHJXQHH-RYUDHWBXSA-N 0 0 190.286 2.869 10 0 AFAERN CC[C@@H](C)[C@@H](O)C1CCCC1 82561426 573097348 /nfs/dbraw/zinc/09/73/48/573097348.db2.gz NQCXJVYMFVOFGZ-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@H]2C)s1 88177301 573097367 /nfs/dbraw/zinc/09/73/67/573097367.db2.gz KOBARAXVIBVBML-YUMQZZPRSA-N 0 0 180.272 2.749 10 0 AFAERN Cc1ccc([C@H]2C[C@H](O)C2(C)C)s1 88179057 573097388 /nfs/dbraw/zinc/09/73/88/573097388.db2.gz WMIVYNDIPFEJQV-SCZZXKLOSA-N 0 0 196.315 2.931 10 0 AFAERN Cc1cccc([C@@H]2C[C@H](O)[C@@H]2C)c1C 88178904 573097424 /nfs/dbraw/zinc/09/74/24/573097424.db2.gz OMNYXPXEQKHLPY-RTXFEEFZSA-N 0 0 190.286 2.788 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@H]2C)cc1C 88177396 573097432 /nfs/dbraw/zinc/09/74/32/573097432.db2.gz NIARZPOXSUXVFI-CMPLNLGQSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1ccc(OCC[C@H](C)F)nc1 308255027 573097434 /nfs/dbraw/zinc/09/74/34/573097434.db2.gz KCAKIKJMHVJQMX-VIFPVBQESA-N 0 0 183.226 2.517 10 0 AFAERN Cc1cccc([C@H]2C[C@H](O)C2(C)C)c1 88179173 573097453 /nfs/dbraw/zinc/09/74/53/573097453.db2.gz ZUZPXYKUISQJPL-NEPJUHHUSA-N 0 0 190.286 2.869 10 0 AFAERN CC[C@]1(C)C(=O)C[C@@H]1c1ccccn1 88178115 573097462 /nfs/dbraw/zinc/09/74/62/573097462.db2.gz FIQBCUWNBBYVRQ-SKDRFNHKSA-N 0 0 189.258 2.554 10 0 AFAERN CC[C@H](C)[C@H](O)c1cccc(F)c1 82561729 573097470 /nfs/dbraw/zinc/09/74/70/573097470.db2.gz JTTXYCIEGZNUNM-KWQFWETISA-N 0 0 182.238 2.905 10 0 AFAERN CC(C)C[C@H](C)C(=O)C[C@@H]1CCCO1 308501080 573097474 /nfs/dbraw/zinc/09/74/74/573097474.db2.gz WNGMYJRUSHCACP-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN CCC(C)(C)C(=O)c1ccc[nH]1 82564047 573097511 /nfs/dbraw/zinc/09/75/11/573097511.db2.gz RFEIQTXRWJOVIO-UHFFFAOYSA-N 0 0 165.236 2.634 10 0 AFAERN C[C@H]1C(=O)C[C@H]1c1ccc(F)cc1 88177034 573099053 /nfs/dbraw/zinc/09/90/53/573099053.db2.gz VYHKPTUYQJOWHO-GMSGAONNSA-N 0 0 178.206 2.518 10 0 AFAERN Cc1ccc([C@@H]2C[C@H](O)C2(C)C)cc1 88178976 573097517 /nfs/dbraw/zinc/09/75/17/573097517.db2.gz IKIFTLZEVUNXNB-RYUDHWBXSA-N 0 0 190.286 2.869 10 0 AFAERN CC[C@@H](C)[C@H](O)C1CCCCC1 82561484 573097519 /nfs/dbraw/zinc/09/75/19/573097519.db2.gz YPYIDRGBYCDJDX-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](O)[C@@H]1CCC[C@H](C(F)(F)F)C1 85658457 573097524 /nfs/dbraw/zinc/09/75/24/573097524.db2.gz MWMMKRRPCHJSKL-RNJXMRFFSA-N 0 0 196.212 2.736 10 0 AFAERN CC1(C)[C@H](O)C[C@H]1c1cccs1 88179154 573097525 /nfs/dbraw/zinc/09/75/25/573097525.db2.gz MPNGVBFVJIMYDH-IONNQARKSA-N 0 0 182.288 2.623 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]1c1cccs1 88177663 573097533 /nfs/dbraw/zinc/09/75/33/573097533.db2.gz KRSJSMJLEOFQJH-YUMQZZPRSA-N 0 0 180.272 2.831 10 0 AFAERN CC1(C)[C@@H](c2ccsc2)C[C@H]1O 88179083 573097548 /nfs/dbraw/zinc/09/75/48/573097548.db2.gz CJJXXBKEMYLIQL-RKDXNWHRSA-N 0 0 182.288 2.623 10 0 AFAERN Cc1ccccc1[C@@H]1C[C@@H](O)C1(C)C 88179050 573097572 /nfs/dbraw/zinc/09/75/72/573097572.db2.gz BAWXJZNLHJXQHH-NWDGAFQWSA-N 0 0 190.286 2.869 10 0 AFAERN Cc1ccccc1[C@H]1C[C@@H](O)C1(C)C 88179051 573097581 /nfs/dbraw/zinc/09/75/81/573097581.db2.gz BAWXJZNLHJXQHH-VXGBXAGGSA-N 0 0 190.286 2.869 10 0 AFAERN Cc1ccc([C@@H]2C[C@@H](O)C2(C)C)s1 88179058 573097587 /nfs/dbraw/zinc/09/75/87/573097587.db2.gz WMIVYNDIPFEJQV-WCBMZHEXSA-N 0 0 196.315 2.931 10 0 AFAERN Cc1cccc([C@H]2CC(=O)[C@H]2C)c1C 88177113 573097594 /nfs/dbraw/zinc/09/75/94/573097594.db2.gz CHBJLFQYOBODDY-JQWIXIFHSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1ccc([C@@H]2C[C@H](O)[C@@H]2C)s1 88178688 573097611 /nfs/dbraw/zinc/09/76/11/573097611.db2.gz STOBPSVPSMDQQV-HLTSFMKQSA-N 0 0 182.288 2.541 10 0 AFAERN CCC[C@@H]1NC(=O)OC12CCCCC2 238276956 573097616 /nfs/dbraw/zinc/09/76/16/573097616.db2.gz POBFJVDIHPCRIT-VIFPVBQESA-N 0 0 197.278 2.598 10 0 AFAERN CCCCn1cnc2cc(O)ccc21 238277243 573097635 /nfs/dbraw/zinc/09/76/35/573097635.db2.gz NZTMCWHWYIUHIP-UHFFFAOYSA-N 0 0 190.246 2.542 10 0 AFAERN CC[C@H]1C(=O)C[C@@H]1c1ccccc1 88177598 573097652 /nfs/dbraw/zinc/09/76/52/573097652.db2.gz YMIGFLRLDKWJPO-GHMZBOCLSA-N 0 0 174.243 2.769 10 0 AFAERN CC[C@H](C)[C@@H](O)c1cccc(F)c1 82561731 573097655 /nfs/dbraw/zinc/09/76/55/573097655.db2.gz JTTXYCIEGZNUNM-GZMMTYOYSA-N 0 0 182.238 2.905 10 0 AFAERN Cc1cccc([C@H]2CC(=O)[C@@H]2C)c1C 88177111 573097656 /nfs/dbraw/zinc/09/76/56/573097656.db2.gz CHBJLFQYOBODDY-PWSUYJOCSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1ccc(C)c([C@@H]2C[C@H](O)[C@@H]2C)c1 88178880 573097674 /nfs/dbraw/zinc/09/76/74/573097674.db2.gz AIPOFHVSYPATFE-RTXFEEFZSA-N 0 0 190.286 2.788 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]1C(C)(C)C 88177625 573097707 /nfs/dbraw/zinc/09/77/07/573097707.db2.gz XGRBCHZUFUDNPQ-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@@H]2C)cc1 88177119 573097743 /nfs/dbraw/zinc/09/77/43/573097743.db2.gz WMYHUFIBLZQEBD-KOLCDFICSA-N 0 0 174.243 2.688 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1c1cccc(F)c1 88177348 573097755 /nfs/dbraw/zinc/09/77/55/573097755.db2.gz UHQGSMBNPNEBLP-XCBNKYQSSA-N 0 0 178.206 2.518 10 0 AFAERN CC[C@@H](C)c1ncc(C(C)=O)c(C)n1 82562846 573097774 /nfs/dbraw/zinc/09/77/74/573097774.db2.gz NCSHVQMUUSARSA-SSDOTTSWSA-N 0 0 192.262 2.501 10 0 AFAERN C[C@H](O)C1CCC(C(F)(F)F)CC1 85658328 573097776 /nfs/dbraw/zinc/09/77/76/573097776.db2.gz YLYLRJIRWDWXDQ-KKMMWDRVSA-N 0 0 196.212 2.736 10 0 AFAERN Cc1cc(F)ccc1[C@H]1CC(=O)[C@@H]1C 88177263 573097787 /nfs/dbraw/zinc/09/77/87/573097787.db2.gz GSVYDEBOCNLEHY-KCJUWKMLSA-N 0 0 192.233 2.827 10 0 AFAERN C[C@H]1C(=O)C[C@H]1c1cccc(F)c1 88177346 573097801 /nfs/dbraw/zinc/09/78/01/573097801.db2.gz UHQGSMBNPNEBLP-GMSGAONNSA-N 0 0 178.206 2.518 10 0 AFAERN CC[C@H](C)[C@H]1[NH2+]Cc2ccccc2O1 238276090 573097803 /nfs/dbraw/zinc/09/78/03/573097803.db2.gz XMBNCCAVUPAYIR-CABZTGNLSA-N 0 0 191.274 2.541 10 0 AFAERN CC(=O)N[C@@H](CC(C)C)C(C)(C)C 308255509 573097804 /nfs/dbraw/zinc/09/78/04/573097804.db2.gz KIPNRRZJQMDSTI-JTQLQIEISA-N 0 0 185.311 2.583 10 0 AFAERN Cc1ccccc1[C@@H]1CC(=O)[C@H]1C 88177408 573097810 /nfs/dbraw/zinc/09/78/10/573097810.db2.gz UYDJKAPJCBISQX-GXSJLCMTSA-N 0 0 174.243 2.688 10 0 AFAERN CC[C@@H](C)[C@@H](O)C1CCCCC1 82561486 573097818 /nfs/dbraw/zinc/09/78/18/573097818.db2.gz YPYIDRGBYCDJDX-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1c1ccc(F)c(F)c1 88177201 573097834 /nfs/dbraw/zinc/09/78/34/573097834.db2.gz URXZPFKDDPVMDY-XPUUQOCRSA-N 0 0 196.196 2.657 10 0 AFAERN Cc1ccccc1[C@H]1CC(=O)[C@@H]1C 88177407 573097839 /nfs/dbraw/zinc/09/78/39/573097839.db2.gz UYDJKAPJCBISQX-KOLCDFICSA-N 0 0 174.243 2.688 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@@H](C)O)CC1 85658246 573097855 /nfs/dbraw/zinc/09/78/55/573097855.db2.gz PAMFDYDFMIYDIH-OPRDCNLKSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1c1cccc(F)c1 88177347 573097866 /nfs/dbraw/zinc/09/78/66/573097866.db2.gz UHQGSMBNPNEBLP-OIBJUYFYSA-N 0 0 178.206 2.518 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1c1ccc(F)cc1 88177036 573097873 /nfs/dbraw/zinc/09/78/73/573097873.db2.gz VYHKPTUYQJOWHO-XCBNKYQSSA-N 0 0 178.206 2.518 10 0 AFAERN Cc1cccc([C@@H]2CC(=O)[C@H]2C)c1C 88177112 573097888 /nfs/dbraw/zinc/09/78/88/573097888.db2.gz CHBJLFQYOBODDY-CMPLNLGQSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1cc([C@@H]2CC(=O)[C@@H]2C)ccc1F 88177314 573097898 /nfs/dbraw/zinc/09/78/98/573097898.db2.gz BNRMFIYPTYMIDF-PSASIEDQSA-N 0 0 192.233 2.827 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@@H]2C)s1 88177298 573097960 /nfs/dbraw/zinc/09/79/60/573097960.db2.gz KOBARAXVIBVBML-HTQZYQBOSA-N 0 0 180.272 2.749 10 0 AFAERN Cc1ccc([C@@H]2C[C@H](O)C2(C)C)s1 88179056 573097925 /nfs/dbraw/zinc/09/79/25/573097925.db2.gz WMIVYNDIPFEJQV-WPRPVWTQSA-N 0 0 196.315 2.931 10 0 AFAERN CCc1ccc([C@@H]2C[C@@H](O)[C@@H]2C)s1 88178830 573097934 /nfs/dbraw/zinc/09/79/34/573097934.db2.gz BPABAWOOAHXOEQ-SZEHBUNVSA-N 0 0 196.315 2.795 10 0 AFAERN CC[C@H](C)c1ncc([C@H](C)O)s1 82562773 573097950 /nfs/dbraw/zinc/09/79/50/573097950.db2.gz YAHHHHLTDWLZHD-BQBZGAKWSA-N 0 0 185.292 2.710 10 0 AFAERN CC[C@H]1C(=O)C[C@@H]1C(C)(C)C 88177626 573097952 /nfs/dbraw/zinc/09/79/52/573097952.db2.gz XGRBCHZUFUDNPQ-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cccc([C@@H]2C[C@@H](O)C2(C)C)c1 88179174 573097963 /nfs/dbraw/zinc/09/79/63/573097963.db2.gz ZUZPXYKUISQJPL-NWDGAFQWSA-N 0 0 190.286 2.869 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@H]2C)cc1F 88177321 573097975 /nfs/dbraw/zinc/09/79/75/573097975.db2.gz HNJQSSXCDPEKDS-WPRPVWTQSA-N 0 0 192.233 2.827 10 0 AFAERN CCc1ccc(CC(C)(C)CO)cc1 49806908 573098001 /nfs/dbraw/zinc/09/80/01/573098001.db2.gz YIWFGFRCKKXHIJ-UHFFFAOYSA-N 0 0 192.302 2.810 10 0 AFAERN Cc1cccc(C(=O)c2ccc[nH]2)c1 82564077 573098039 /nfs/dbraw/zinc/09/80/39/573098039.db2.gz SCVUARKTGCRIIA-UHFFFAOYSA-N 0 0 185.226 2.554 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@@H]2C)c(C)c1 88177371 573098056 /nfs/dbraw/zinc/09/80/56/573098056.db2.gz CMRTVZUZQPGBFY-PWSUYJOCSA-N 0 0 188.270 2.996 10 0 AFAERN CC1(C)C(=O)C[C@H]1c1ccccc1F 88177500 573098064 /nfs/dbraw/zinc/09/80/64/573098064.db2.gz RWOMQXXMPJESKG-VIFPVBQESA-N 0 0 192.233 2.908 10 0 AFAERN CC[C@H]1C(=O)C[C@H]1c1ccccc1 88177596 573098083 /nfs/dbraw/zinc/09/80/83/573098083.db2.gz YMIGFLRLDKWJPO-MNOVXSKESA-N 0 0 174.243 2.769 10 0 AFAERN CC1(C)[C@@H](O)C[C@@H]1c1ccccc1 88179193 573098091 /nfs/dbraw/zinc/09/80/91/573098091.db2.gz UZUANIOBIRRNEA-MNOVXSKESA-N 0 0 176.259 2.561 10 0 AFAERN C[C@H]1C(=O)C[C@H]1c1c(F)cccc1F 88177170 573098099 /nfs/dbraw/zinc/09/80/99/573098099.db2.gz VZJNRCBWRKPQIB-RNFRBKRXSA-N 0 0 196.196 2.657 10 0 AFAERN C[C@H](CO)c1ccc(F)c(Cl)c1 85657497 573098165 /nfs/dbraw/zinc/09/81/65/573098165.db2.gz QIWMCRLSUDNNIS-ZCFIWIBFSA-N 0 0 188.629 2.575 10 0 AFAERN CC1(C)[C@@H](c2ccccc2F)C[C@H]1O 88179079 573098180 /nfs/dbraw/zinc/09/81/80/573098180.db2.gz ARPNGSKMJFICOX-MWLCHTKSSA-N 0 0 194.249 2.700 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]1c1ccc(F)cc1 88177605 573098186 /nfs/dbraw/zinc/09/81/86/573098186.db2.gz UNTPWWRSIZJPLG-QWRGUYRKSA-N 0 0 192.233 2.908 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1c1ccc(F)cc1 88177035 573098206 /nfs/dbraw/zinc/09/82/06/573098206.db2.gz VYHKPTUYQJOWHO-OIBJUYFYSA-N 0 0 178.206 2.518 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@@H]2C)cc1F 88177318 573098266 /nfs/dbraw/zinc/09/82/66/573098266.db2.gz HNJQSSXCDPEKDS-PSASIEDQSA-N 0 0 192.233 2.827 10 0 AFAERN CC[C@H]1C(=O)C[C@H]1c1ccc(F)cc1 88177604 573098286 /nfs/dbraw/zinc/09/82/86/573098286.db2.gz UNTPWWRSIZJPLG-MNOVXSKESA-N 0 0 192.233 2.908 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1c1ccc(F)c(F)c1 88177199 573098293 /nfs/dbraw/zinc/09/82/93/573098293.db2.gz URXZPFKDDPVMDY-POYBYMJQSA-N 0 0 196.196 2.657 10 0 AFAERN CC1(C)[C@@H](O)C[C@H]1c1cccs1 88179152 573098232 /nfs/dbraw/zinc/09/82/32/573098232.db2.gz MPNGVBFVJIMYDH-CBAPKCEASA-N 0 0 182.288 2.623 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1ccc(C)cc1 88178239 573098237 /nfs/dbraw/zinc/09/82/37/573098237.db2.gz TZSSUHQYXYVQGB-XQQFMLRXSA-N 0 0 190.286 2.869 10 0 AFAERN C[C@@H]1C(=O)c2ccc(F)c(F)c2[C@H]1C 235701106 573098245 /nfs/dbraw/zinc/09/82/45/573098245.db2.gz NDBGREITTDXRKA-WDSKDSINSA-N 0 0 196.196 2.901 10 0 AFAERN Cc1ccccc1[C@@H]1CC(=O)[C@@H]1C 88177406 573098254 /nfs/dbraw/zinc/09/82/54/573098254.db2.gz UYDJKAPJCBISQX-MWLCHTKSSA-N 0 0 174.243 2.688 10 0 AFAERN CC[C@@H](C)n1ncc(N)c1C(C)C 85634691 573098315 /nfs/dbraw/zinc/09/83/15/573098315.db2.gz VJCNJAFSTGLFRB-MRVPVSSYSA-N 0 0 181.283 2.560 10 0 AFAERN CC[C@]1(CO)CC=C(C)CC1 238277647 573098328 /nfs/dbraw/zinc/09/83/28/573098328.db2.gz PKPBAWYHCZFLEA-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@H]1c1ccncc1 88178116 573098335 /nfs/dbraw/zinc/09/83/35/573098335.db2.gz DOKNQSQSLDTAJN-CMPLNLGQSA-N 0 0 189.258 2.554 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]1c1cccc(F)c1 88177833 573098340 /nfs/dbraw/zinc/09/83/40/573098340.db2.gz CSXHJHBCYXDYHI-QWRGUYRKSA-N 0 0 192.233 2.908 10 0 AFAERN Cc1ccsc1[C@H]1C[C@@H](O)C1(C)C 88179027 573098363 /nfs/dbraw/zinc/09/83/63/573098363.db2.gz KPVAMOFCGDEDDQ-RKDXNWHRSA-N 0 0 196.315 2.931 10 0 AFAERN Cc1cccc([C@@H]2CC(=O)[C@@H]2C)c1 88177150 573099384 /nfs/dbraw/zinc/09/93/84/573099384.db2.gz UIJVBSQZAMRLFO-MWLCHTKSSA-N 0 0 174.243 2.688 10 0 AFAERN C/C=C(\C)c1ccc(N)cc1 104635679 573098372 /nfs/dbraw/zinc/09/83/72/573098372.db2.gz YGVLCVQDUKHCKK-FPYGCLRLSA-N 0 0 147.221 2.692 10 0 AFAERN CCc1ccc(F)c2sncc12 238277292 573098374 /nfs/dbraw/zinc/09/83/74/573098374.db2.gz FKOMIADDQHZINS-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1c1cccc(F)c1 88177349 573098384 /nfs/dbraw/zinc/09/83/84/573098384.db2.gz UHQGSMBNPNEBLP-XVKPBYJWSA-N 0 0 178.206 2.518 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]1c1cccnc1 88177941 573098392 /nfs/dbraw/zinc/09/83/92/573098392.db2.gz FSYVOLONRDMJTK-JQWIXIFHSA-N 0 0 189.258 2.554 10 0 AFAERN C[C@@H](CO)c1ccc(F)c(Cl)c1 85657496 573098393 /nfs/dbraw/zinc/09/83/93/573098393.db2.gz QIWMCRLSUDNNIS-LURJTMIESA-N 0 0 188.629 2.575 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]1c1ccccc1 88177597 573098401 /nfs/dbraw/zinc/09/84/01/573098401.db2.gz YMIGFLRLDKWJPO-QWRGUYRKSA-N 0 0 174.243 2.769 10 0 AFAERN CC1(C)[C@@H](O)C[C@@H]1c1ccccc1F 88179077 573098413 /nfs/dbraw/zinc/09/84/13/573098413.db2.gz ARPNGSKMJFICOX-KOLCDFICSA-N 0 0 194.249 2.700 10 0 AFAERN C[C@@H](O)[C@@H](c1ccccc1)C1CC1 85658471 573098430 /nfs/dbraw/zinc/09/84/30/573098430.db2.gz BZJVUPKCKOJSFX-SKDRFNHKSA-N 0 0 176.259 2.561 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@@H]2C)cc1 88177118 573098431 /nfs/dbraw/zinc/09/84/31/573098431.db2.gz WMYHUFIBLZQEBD-MWLCHTKSSA-N 0 0 174.243 2.688 10 0 AFAERN Cc1cccc([C@@H]2C[C@H](O)C2(C)C)c1 88179172 573098440 /nfs/dbraw/zinc/09/84/40/573098440.db2.gz ZUZPXYKUISQJPL-RYUDHWBXSA-N 0 0 190.286 2.869 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1c1ccc(F)cc1 88177037 573098448 /nfs/dbraw/zinc/09/84/48/573098448.db2.gz VYHKPTUYQJOWHO-XVKPBYJWSA-N 0 0 178.206 2.518 10 0 AFAERN CC[C@H]1C(=O)C[C@H]1c1ccccc1F 88177724 573098454 /nfs/dbraw/zinc/09/84/54/573098454.db2.gz NRQSSWMMUBPWSO-PSASIEDQSA-N 0 0 192.233 2.908 10 0 AFAERN CCc1ccc(F)c2c1CCCC2=O 238276843 573098460 /nfs/dbraw/zinc/09/84/60/573098460.db2.gz CUYRDVSIOISRRY-UHFFFAOYSA-N 0 0 192.233 2.907 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1ccccc1C 88178311 573098467 /nfs/dbraw/zinc/09/84/67/573098467.db2.gz WTVHZMSHFCZUBH-DRZSPHRISA-N 0 0 190.286 2.869 10 0 AFAERN CC1(C)[C@@H](O)C[C@@H]1c1cccs1 88179153 573098477 /nfs/dbraw/zinc/09/84/77/573098477.db2.gz MPNGVBFVJIMYDH-APPZFPTMSA-N 0 0 182.288 2.623 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]1c1ccccn1 88178113 573098484 /nfs/dbraw/zinc/09/84/84/573098484.db2.gz FIQBCUWNBBYVRQ-CABZTGNLSA-N 0 0 189.258 2.554 10 0 AFAERN CC(C)c1c(N)cnn1[C@@H](C)C1CC1 85634746 573098489 /nfs/dbraw/zinc/09/84/89/573098489.db2.gz LPZDANVKBFLLBW-QMMMGPOBSA-N 0 0 193.294 2.560 10 0 AFAERN C[C@@H](O)[C@H](c1ccccc1)C1CC1 85658476 573098495 /nfs/dbraw/zinc/09/84/95/573098495.db2.gz BZJVUPKCKOJSFX-BXKDBHETSA-N 0 0 176.259 2.561 10 0 AFAERN CC1(C)[C@H](O)C[C@H]1c1ccccc1F 88179078 573098505 /nfs/dbraw/zinc/09/85/05/573098505.db2.gz ARPNGSKMJFICOX-GXSJLCMTSA-N 0 0 194.249 2.700 10 0 AFAERN CC[C@@H](C)c1nc2c(C)ccnc2[nH]1 82563706 573098530 /nfs/dbraw/zinc/09/85/30/573098530.db2.gz HTYJDHMHEHYFMY-SSDOTTSWSA-N 0 0 189.262 2.780 10 0 AFAERN C[C@@H]1C[C@H]([C@@H](C)O)CC(C)(C)C1 85658282 573098532 /nfs/dbraw/zinc/09/85/32/573098532.db2.gz PNWJVHYZMCSHNP-BBBLOLIVSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]1c1cccc(F)c1 88177835 573098535 /nfs/dbraw/zinc/09/85/35/573098535.db2.gz CSXHJHBCYXDYHI-WDEREUQCSA-N 0 0 192.233 2.908 10 0 AFAERN CC1(C)[C@@H](O)C[C@H]1c1ccsc1 88179080 573098544 /nfs/dbraw/zinc/09/85/44/573098544.db2.gz CJJXXBKEMYLIQL-IUCAKERBSA-N 0 0 182.288 2.623 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@H]1c1ccc(F)cc1 88178457 573098554 /nfs/dbraw/zinc/09/85/54/573098554.db2.gz LNBINUWMFQVFAE-SRVKXCTJSA-N 0 0 194.249 2.700 10 0 AFAERN COc1cc(C)cc2ccoc12 114628919 573098563 /nfs/dbraw/zinc/09/85/63/573098563.db2.gz FXPFLVMLMVBFPP-UHFFFAOYSA-N 0 0 162.188 2.750 10 0 AFAERN Cc1ccccc1[C@H]1CC(=O)[C@H]1C 88177409 573098571 /nfs/dbraw/zinc/09/85/71/573098571.db2.gz UYDJKAPJCBISQX-ONGXEEELSA-N 0 0 174.243 2.688 10 0 AFAERN CC[C@]1(C)C(=O)C[C@H]1c1nccs1 88178041 573098612 /nfs/dbraw/zinc/09/86/12/573098612.db2.gz JIJZXFDFDNSHSP-XVKPBYJWSA-N 0 0 195.287 2.616 10 0 AFAERN Cc1cc([C@@H]2C[C@@H](O)[C@@H]2C)ccc1F 88178654 573098641 /nfs/dbraw/zinc/09/86/41/573098641.db2.gz RRRXQGYZSLAUOX-HLUHBDAQSA-N 0 0 194.249 2.618 10 0 AFAERN CC(C)c1c(N)cnn1C1CCCC1 85634613 573098647 /nfs/dbraw/zinc/09/86/47/573098647.db2.gz AOGMPZZNHRTBJN-UHFFFAOYSA-N 0 0 193.294 2.704 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@H]2C)cc1C 88177397 573098648 /nfs/dbraw/zinc/09/86/48/573098648.db2.gz NIARZPOXSUXVFI-JQWIXIFHSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1cc(C)cc(C(=O)c2ccc[nH]2)c1 82564059 573098662 /nfs/dbraw/zinc/09/86/62/573098662.db2.gz QMCFFUYUKWZKHK-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]1c1cccs1 88177661 573098678 /nfs/dbraw/zinc/09/86/78/573098678.db2.gz KRSJSMJLEOFQJH-JGVFFNPUSA-N 0 0 180.272 2.831 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1c1cc(F)cc(F)c1 88177047 573099307 /nfs/dbraw/zinc/09/93/07/573099307.db2.gz LCHDZANSSSSOJP-QUBYGPBYSA-N 0 0 196.196 2.657 10 0 AFAERN Cc1ccc([C@@H]2C[C@@H](O)[C@@H]2C)cc1C 88178930 573098697 /nfs/dbraw/zinc/09/86/97/573098697.db2.gz YRFDFKKXIPRLSH-RAIGVLPGSA-N 0 0 190.286 2.788 10 0 AFAERN OCC[C@@H]1C[C@@H]1/C=C\c1ccccc1 393657293 573098702 /nfs/dbraw/zinc/09/87/02/573098702.db2.gz MCWWWFONFXGFMG-ASOISWSRSA-N 0 0 188.270 2.718 10 0 AFAERN CC[C@@H](c1ccc(C)cc1)[C@@H](C)O 85658557 573098707 /nfs/dbraw/zinc/09/87/07/573098707.db2.gz AFUUNPAORHUNIG-ZYHUDNBSSA-N 0 0 178.275 2.869 10 0 AFAERN CC(C)/C=C\c1nc(C2CC2)no1 308255069 573098729 /nfs/dbraw/zinc/09/87/29/573098729.db2.gz KDBPEKBGYKUGEK-UTCJRWHESA-N 0 0 178.235 2.616 10 0 AFAERN CC1(C)[C@@H](c2cccs2)C[C@H]1O 88179155 573098745 /nfs/dbraw/zinc/09/87/45/573098745.db2.gz MPNGVBFVJIMYDH-VXNVDRBHSA-N 0 0 182.288 2.623 10 0 AFAERN CC1(C)[C@H](O)C[C@H]1c1ccsc1 88179082 573098755 /nfs/dbraw/zinc/09/87/55/573098755.db2.gz CJJXXBKEMYLIQL-DTWKUNHWSA-N 0 0 182.288 2.623 10 0 AFAERN CC(=O)Cc1cc(F)cc2ccoc12 257943613 573098797 /nfs/dbraw/zinc/09/87/97/573098797.db2.gz ABUJFYUMPMJLKH-UHFFFAOYSA-N 0 0 192.189 2.703 10 0 AFAERN Cc1ccc([C@@H]2C[C@@H](O)[C@@H]2C)c(C)c1 88178554 573098807 /nfs/dbraw/zinc/09/88/07/573098807.db2.gz ZIENPXSOYRURJV-RAIGVLPGSA-N 0 0 190.286 2.788 10 0 AFAERN Cc1ccc([C@@H]2C[C@@H](O)C2(C)C)cc1 88178978 573098815 /nfs/dbraw/zinc/09/88/15/573098815.db2.gz IKIFTLZEVUNXNB-NWDGAFQWSA-N 0 0 190.286 2.869 10 0 AFAERN CC1(C)C(=O)C[C@H]1c1cccs1 88177468 573098827 /nfs/dbraw/zinc/09/88/27/573098827.db2.gz YHXHUEBAFUJETJ-ZETCQYMHSA-N 0 0 180.272 2.831 10 0 AFAERN CC[C@@H](O)[C@@H]1CCC(C)=C(C)C1 238276480 573098852 /nfs/dbraw/zinc/09/88/52/573098852.db2.gz NDCABZMEFQACIL-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H](C)n1ncc(N)c1C(C)C 85634695 573098862 /nfs/dbraw/zinc/09/88/62/573098862.db2.gz VJCNJAFSTGLFRB-QMMMGPOBSA-N 0 0 181.283 2.560 10 0 AFAERN C[C@@H]1CCC[C@H]([C@@H](C)O)CC1 85658243 573098892 /nfs/dbraw/zinc/09/88/92/573098892.db2.gz PAMFDYDFMIYDIH-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)[C@H](O)C1CCCC1 82561425 573099054 /nfs/dbraw/zinc/09/90/54/573099054.db2.gz NQCXJVYMFVOFGZ-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C(C(C)C)[C@@H](O)C1=CCCO1 308501434 573098919 /nfs/dbraw/zinc/09/89/19/573098919.db2.gz WQLDIBISKZELMS-LBPRGKRZSA-N 0 0 198.306 2.580 10 0 AFAERN Cc1cc(F)ccc1[C@H]1CC(=O)[C@H]1C 88177265 573098925 /nfs/dbraw/zinc/09/89/25/573098925.db2.gz GSVYDEBOCNLEHY-KWQFWETISA-N 0 0 192.233 2.827 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1cccc(F)c1 88178543 573098933 /nfs/dbraw/zinc/09/89/33/573098933.db2.gz SXOOWIPCBSALHZ-TUAOUCFPSA-N 0 0 194.249 2.700 10 0 AFAERN C[C@H]1C(=O)C[C@H]1c1cc(F)cc(F)c1 88177046 573098939 /nfs/dbraw/zinc/09/89/39/573098939.db2.gz LCHDZANSSSSOJP-LHLIQPBNSA-N 0 0 196.196 2.657 10 0 AFAERN CC[C@@H](CO)Sc1ccsc1 238276220 573098946 /nfs/dbraw/zinc/09/89/46/573098946.db2.gz VIXJKYIHCVMTIX-ZETCQYMHSA-N 0 0 188.317 2.611 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1ccccc1 88178455 573098947 /nfs/dbraw/zinc/09/89/47/573098947.db2.gz HKSVSDZGUIPPPK-TUAOUCFPSA-N 0 0 176.259 2.561 10 0 AFAERN CC(C)(C)ONC[C@]1(C)CC1(C)C 717126027 573098951 /nfs/dbraw/zinc/09/89/51/573098951.db2.gz JWRRREJURIULCO-NSHDSACASA-N 0 0 185.311 2.742 10 0 AFAERN Cc1ccsc1[C@@H]1C[C@H](O)[C@@H]1C 88178648 573098955 /nfs/dbraw/zinc/09/89/55/573098955.db2.gz XKZJNDSJIRZXJG-HLTSFMKQSA-N 0 0 182.288 2.541 10 0 AFAERN CCc1nc(Cl)cc2ccn(C)c12 238277527 573098963 /nfs/dbraw/zinc/09/89/63/573098963.db2.gz WKQXPANYRYFYRG-UHFFFAOYSA-N 0 0 194.665 2.789 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@H]1c1cccnc1 88177940 573098998 /nfs/dbraw/zinc/09/89/98/573098998.db2.gz FSYVOLONRDMJTK-CMPLNLGQSA-N 0 0 189.258 2.554 10 0 AFAERN CC[C@H](C)/C=C/C=C/[C@H](C)O 238277585 573099000 /nfs/dbraw/zinc/09/90/00/573099000.db2.gz WSTYTGMGNCBUPW-HXEMQSDVSA-N 0 0 154.253 2.526 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@@H]2C)cc1C 88177394 573099011 /nfs/dbraw/zinc/09/90/11/573099011.db2.gz NIARZPOXSUXVFI-ZYHUDNBSSA-N 0 0 188.270 2.996 10 0 AFAERN CCOC(=N)C/C(C)=C/Cl 238276996 573099016 /nfs/dbraw/zinc/09/90/16/573099016.db2.gz RTKFVCVBONRXEK-CZUXNWOBSA-N 0 0 161.632 2.533 10 0 AFAERN Cc1ncccc1OCC[C@@H](C)F 308254711 573099017 /nfs/dbraw/zinc/09/90/17/573099017.db2.gz JVJFKZQILTZDCQ-MRVPVSSYSA-N 0 0 183.226 2.517 10 0 AFAERN CC[C@H]1C(=O)C[C@H]1c1ccsc1 88177908 573099028 /nfs/dbraw/zinc/09/90/28/573099028.db2.gz LMZMKSONDIIZKT-BDAKNGLRSA-N 0 0 180.272 2.831 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1c1cc(F)cc(F)c1 88177048 573099035 /nfs/dbraw/zinc/09/90/35/573099035.db2.gz LCHDZANSSSSOJP-LDWIPMOCSA-N 0 0 196.196 2.657 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@@H]2C)cc1F 88177319 573099312 /nfs/dbraw/zinc/09/93/12/573099312.db2.gz HNJQSSXCDPEKDS-SCZZXKLOSA-N 0 0 192.233 2.827 10 0 AFAERN Cc1ccsc1[C@H]1CC(=O)[C@H]1C 88177353 573099060 /nfs/dbraw/zinc/09/90/60/573099060.db2.gz PZFJWGUHKTXMSC-YUMQZZPRSA-N 0 0 180.272 2.749 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@@H]2C)c(C)c1 88177370 573099064 /nfs/dbraw/zinc/09/90/64/573099064.db2.gz CMRTVZUZQPGBFY-ZYHUDNBSSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1ccc(C)c([C@@H]2CC(=O)[C@H]2C)c1 88177196 573099073 /nfs/dbraw/zinc/09/90/73/573099073.db2.gz SPUBPOXTWQLPML-CMPLNLGQSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1ccnc2[nH]c(C3CCC3)nc12 82563726 573099075 /nfs/dbraw/zinc/09/90/75/573099075.db2.gz CWAPCCWXXZXASF-UHFFFAOYSA-N 0 0 187.246 2.534 10 0 AFAERN Cc1ncccc1CC1CC=CC1 715241564 573099076 /nfs/dbraw/zinc/09/90/76/573099076.db2.gz RYSLNOUJALVQNH-UHFFFAOYSA-N 0 0 173.259 2.899 10 0 AFAERN Cc1cccc([C@H]2C[C@@H](O)C2(C)C)c1 88179175 573099099 /nfs/dbraw/zinc/09/90/99/573099099.db2.gz ZUZPXYKUISQJPL-VXGBXAGGSA-N 0 0 190.286 2.869 10 0 AFAERN Cc1ccsc1[C@@H]1C[C@H](O)C1(C)C 88179024 573099118 /nfs/dbraw/zinc/09/91/18/573099118.db2.gz KPVAMOFCGDEDDQ-IUCAKERBSA-N 0 0 196.315 2.931 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@H]2C)s1 88177300 573099130 /nfs/dbraw/zinc/09/91/30/573099130.db2.gz KOBARAXVIBVBML-JGVFFNPUSA-N 0 0 180.272 2.749 10 0 AFAERN CCc1ccc([C@@H]2CC(=O)[C@H]2C)cc1 88177136 573099138 /nfs/dbraw/zinc/09/91/38/573099138.db2.gz HUBCJJBAYGKHKA-JOYOIKCWSA-N 0 0 188.270 2.942 10 0 AFAERN CC[C@H](C)c1ncc([C@@H](C)O)s1 82562771 573099145 /nfs/dbraw/zinc/09/91/45/573099145.db2.gz YAHHHHLTDWLZHD-NKWVEPMBSA-N 0 0 185.292 2.710 10 0 AFAERN C[C@@H]1[C@@H](O)C[C@@H]1c1cccc(Cl)c1 88178875 573099150 /nfs/dbraw/zinc/09/91/50/573099150.db2.gz PHCMJJUWUJWAOJ-SWPVVBRQSA-N 0 0 196.677 2.824 10 0 AFAERN Cc1ccc(C)c([C@H]2CC(=O)[C@@H]2C)c1 88177195 573099158 /nfs/dbraw/zinc/09/91/58/573099158.db2.gz SPUBPOXTWQLPML-PWSUYJOCSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@H]2C)cc1 88177120 573099175 /nfs/dbraw/zinc/09/91/75/573099175.db2.gz WMYHUFIBLZQEBD-GXSJLCMTSA-N 0 0 174.243 2.688 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1cccs1 88178415 573099183 /nfs/dbraw/zinc/09/91/83/573099183.db2.gz BLTFFPSFNAPOHO-CIUDSAMLSA-N 0 0 182.288 2.623 10 0 AFAERN CC[C@@H](C)c1ncc([C@H](C)O)s1 82562772 573099237 /nfs/dbraw/zinc/09/92/37/573099237.db2.gz YAHHHHLTDWLZHD-RQJHMYQMSA-N 0 0 185.292 2.710 10 0 AFAERN C[C@H](O)[C@H](c1ccccc1)C1CC1 85658473 573099238 /nfs/dbraw/zinc/09/92/38/573099238.db2.gz BZJVUPKCKOJSFX-JOYOIKCWSA-N 0 0 176.259 2.561 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1CC(=O)[C@@H]1C 88177262 573099242 /nfs/dbraw/zinc/09/92/42/573099242.db2.gz GSVYDEBOCNLEHY-LDYMZIIASA-N 0 0 192.233 2.827 10 0 AFAERN CC1(C)C(=O)C[C@@H]1c1ccccc1F 88177501 573099263 /nfs/dbraw/zinc/09/92/63/573099263.db2.gz RWOMQXXMPJESKG-SECBINFHSA-N 0 0 192.233 2.908 10 0 AFAERN CC1(C)C(=O)C[C@@H]1c1cccc(F)c1 88177553 573099269 /nfs/dbraw/zinc/09/92/69/573099269.db2.gz ZOYRRCWYONNVFY-SNVBAGLBSA-N 0 0 192.233 2.908 10 0 AFAERN CC[C@H]1C(=O)C[C@H]1c1cccs1 88177660 573099318 /nfs/dbraw/zinc/09/93/18/573099318.db2.gz KRSJSMJLEOFQJH-HTQZYQBOSA-N 0 0 180.272 2.831 10 0 AFAERN Cc1ccsc1[C@H]1C[C@H](O)C1(C)C 88179025 573099327 /nfs/dbraw/zinc/09/93/27/573099327.db2.gz KPVAMOFCGDEDDQ-BDAKNGLRSA-N 0 0 196.315 2.931 10 0 AFAERN CCc1ccc([C@@H]2C[C@H](O)[C@@H]2C)cc1 88178684 573099334 /nfs/dbraw/zinc/09/93/34/573099334.db2.gz JPILWSGLCQSZDK-WQAKAFBOSA-N 0 0 190.286 2.733 10 0 AFAERN Oc1ccc(C=C2C=CC=C2)cc1 222635774 573099380 /nfs/dbraw/zinc/09/93/80/573099380.db2.gz ZMMMAYLQQKMTBL-UHFFFAOYSA-N 0 0 170.211 2.902 10 0 AFAERN Cc1ccsc1[C@@H]1C[C@@H](O)C1(C)C 88179026 573099355 /nfs/dbraw/zinc/09/93/55/573099355.db2.gz KPVAMOFCGDEDDQ-DTWKUNHWSA-N 0 0 196.315 2.931 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@@H]1c1ccncc1 88178118 573099392 /nfs/dbraw/zinc/09/93/92/573099392.db2.gz DOKNQSQSLDTAJN-ZYHUDNBSSA-N 0 0 189.258 2.554 10 0 AFAERN C[C@H](O)[C@H]1CCCC(C)(C)CC1 85658376 573099399 /nfs/dbraw/zinc/09/93/99/573099399.db2.gz DCVRMLYLFIIEGS-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1c1c(F)cccc1F 88177173 573099407 /nfs/dbraw/zinc/09/94/07/573099407.db2.gz VZJNRCBWRKPQIB-BQBZGAKWSA-N 0 0 196.196 2.657 10 0 AFAERN C[C@@H]1C[C@@H]([C@@H](C)O)CC(C)(C)C1 85658286 573099409 /nfs/dbraw/zinc/09/94/09/573099409.db2.gz PNWJVHYZMCSHNP-OPRDCNLKSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1c1ccccc1F 88177213 573099428 /nfs/dbraw/zinc/09/94/28/573099428.db2.gz CLAZCJLLZAEFAR-CBAPKCEASA-N 0 0 178.206 2.518 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@H]1c1nccs1 88178040 573099603 /nfs/dbraw/zinc/09/96/03/573099603.db2.gz JIJZXFDFDNSHSP-OIBJUYFYSA-N 0 0 195.287 2.616 10 0 AFAERN CC(C)(C)[C@H]1CC(=O)C1(C)C 88177451 573099446 /nfs/dbraw/zinc/09/94/46/573099446.db2.gz ZVVAVSWXKOZSHE-SSDOTTSWSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cccc2[nH]c(C=O)c(C)c12 257940757 573099448 /nfs/dbraw/zinc/09/94/48/573099448.db2.gz UZIDRULDFXSISG-UHFFFAOYSA-N 0 0 173.215 2.597 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1c1cc(F)ccc1F 88177043 573099472 /nfs/dbraw/zinc/09/94/72/573099472.db2.gz MJFDTOTUCXQREO-POYBYMJQSA-N 0 0 196.196 2.657 10 0 AFAERN Cc1cc(C)cc([C@@H]2C[C@H](O)[C@@H]2C)c1 88178768 573099478 /nfs/dbraw/zinc/09/94/78/573099478.db2.gz XUWUFKDJDHDLHN-RTXFEEFZSA-N 0 0 190.286 2.788 10 0 AFAERN CCc1ccc([C@H]2CC(=O)[C@H]2C)cc1 88177137 573099489 /nfs/dbraw/zinc/09/94/89/573099489.db2.gz HUBCJJBAYGKHKA-CABZTGNLSA-N 0 0 188.270 2.942 10 0 AFAERN C[C@H]1C(=O)C[C@H]1c1ccc(F)cc1F 88177202 573099554 /nfs/dbraw/zinc/09/95/54/573099554.db2.gz IZVZAGHOEULLRC-HZGVNTEJSA-N 0 0 196.196 2.657 10 0 AFAERN CC1(C)[C@@H](O)C[C@@H]1c1ccsc1 88179081 573099562 /nfs/dbraw/zinc/09/95/62/573099562.db2.gz CJJXXBKEMYLIQL-BDAKNGLRSA-N 0 0 182.288 2.623 10 0 AFAERN Cc1ccc(C)c([C@H]2CC(=O)[C@H]2C)c1 88177197 573099571 /nfs/dbraw/zinc/09/95/71/573099571.db2.gz SPUBPOXTWQLPML-JQWIXIFHSA-N 0 0 188.270 2.996 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1c1ccc(F)cc1F 88177203 573099579 /nfs/dbraw/zinc/09/95/79/573099579.db2.gz IZVZAGHOEULLRC-IMTBSYHQSA-N 0 0 196.196 2.657 10 0 AFAERN CC[C@H](c1ccc(C)cc1)[C@H](C)O 85658561 573099597 /nfs/dbraw/zinc/09/95/97/573099597.db2.gz AFUUNPAORHUNIG-JQWIXIFHSA-N 0 0 178.275 2.869 10 0 AFAERN CC(C)(C)[C@@H]1CC(=O)C1(C)C 88177450 573099600 /nfs/dbraw/zinc/09/96/00/573099600.db2.gz ZVVAVSWXKOZSHE-ZETCQYMHSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H](C)[C@H](O)C1CCCC1 82561424 573099611 /nfs/dbraw/zinc/09/96/11/573099611.db2.gz NQCXJVYMFVOFGZ-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H](CO)c1ccc(F)cc1Cl 85657489 573099984 /nfs/dbraw/zinc/09/99/84/573099984.db2.gz TYECJTCFAHNOEQ-ZCFIWIBFSA-N 0 0 188.629 2.575 10 0 AFAERN C[C@@H](CCC(C)(C)C)n1nccc1N 308501772 573100430 /nfs/dbraw/zinc/10/04/30/573100430.db2.gz WWNWOWJSYKDMSJ-VIFPVBQESA-N 0 0 195.310 2.853 10 0 AFAERN CC[C@H]1C(=O)C[C@@H]1c1ccsc1 88177910 573099638 /nfs/dbraw/zinc/09/96/38/573099638.db2.gz LMZMKSONDIIZKT-RKDXNWHRSA-N 0 0 180.272 2.831 10 0 AFAERN C[C@@H](CO)c1ccc(F)cc1Cl 85657488 573099646 /nfs/dbraw/zinc/09/96/46/573099646.db2.gz TYECJTCFAHNOEQ-LURJTMIESA-N 0 0 188.629 2.575 10 0 AFAERN Cc1ccc([C@@H]2C[C@@H](O)[C@@H]2C)cc1F 88178658 573099647 /nfs/dbraw/zinc/09/96/47/573099647.db2.gz BTKTXYJCLIQYTE-HLUHBDAQSA-N 0 0 194.249 2.618 10 0 AFAERN CCSC(=S)c1ccccc1O 238278887 573099666 /nfs/dbraw/zinc/09/96/66/573099666.db2.gz LHHYIKQLXYRBLH-UHFFFAOYSA-N 0 0 198.312 2.821 10 0 AFAERN Cc1cc([C@H]2CC(=O)[C@@H]2C)ccc1F 88177315 573100306 /nfs/dbraw/zinc/10/03/06/573100306.db2.gz BNRMFIYPTYMIDF-SCZZXKLOSA-N 0 0 192.233 2.827 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]1c1ccccc1F 88177725 573099674 /nfs/dbraw/zinc/09/96/74/573099674.db2.gz NRQSSWMMUBPWSO-WCBMZHEXSA-N 0 0 192.233 2.908 10 0 AFAERN CC1(C)C(=O)C[C@@H]1c1cccs1 88177469 573099698 /nfs/dbraw/zinc/09/96/98/573099698.db2.gz YHXHUEBAFUJETJ-SSDOTTSWSA-N 0 0 180.272 2.831 10 0 AFAERN Cc1ccsc1[C@@H]1CC(=O)[C@@H]1C 88177350 573099704 /nfs/dbraw/zinc/09/97/04/573099704.db2.gz PZFJWGUHKTXMSC-HTQZYQBOSA-N 0 0 180.272 2.749 10 0 AFAERN CC[C@@H]1C[C@@H](C)C(=O)C1(C)C 238278882 573099722 /nfs/dbraw/zinc/09/97/22/573099722.db2.gz RSQOGAOGUZHYSU-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc([C@@H]2C[C@H](O)[C@@H]2C)cc1C 88178928 573099724 /nfs/dbraw/zinc/09/97/24/573099724.db2.gz YRFDFKKXIPRLSH-RTXFEEFZSA-N 0 0 190.286 2.788 10 0 AFAERN CC[C@]1(C)C(=O)C[C@@H]1c1cccnc1 88177943 573099733 /nfs/dbraw/zinc/09/97/33/573099733.db2.gz FSYVOLONRDMJTK-PWSUYJOCSA-N 0 0 189.258 2.554 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1c1ccccc1F 88177212 573099743 /nfs/dbraw/zinc/09/97/43/573099743.db2.gz CLAZCJLLZAEFAR-APPZFPTMSA-N 0 0 178.206 2.518 10 0 AFAERN C[C@H](O)[C@@H]1CCCC(C)(C)CC1 85658372 573099754 /nfs/dbraw/zinc/09/97/54/573099754.db2.gz DCVRMLYLFIIEGS-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1c1c(F)cccc1F 88177172 573099759 /nfs/dbraw/zinc/09/97/59/573099759.db2.gz VZJNRCBWRKPQIB-RQJHMYQMSA-N 0 0 196.196 2.657 10 0 AFAERN C[C@@H](O)C1CCC(C(F)(F)F)CC1 85658329 573100464 /nfs/dbraw/zinc/10/04/64/573100464.db2.gz YLYLRJIRWDWXDQ-JECWYVHBSA-N 0 0 196.212 2.736 10 0 AFAERN CC[C@H]1C(=O)C[C@@H]1c1cccc(F)c1 88177834 573099786 /nfs/dbraw/zinc/09/97/86/573099786.db2.gz CSXHJHBCYXDYHI-GHMZBOCLSA-N 0 0 192.233 2.908 10 0 AFAERN CC(C)c1c(N)cnn1[C@H](C)C1CC1 85634748 573099807 /nfs/dbraw/zinc/09/98/07/573099807.db2.gz LPZDANVKBFLLBW-MRVPVSSYSA-N 0 0 193.294 2.560 10 0 AFAERN CC[C@H]1C(=O)C[C@@H]1c1cccs1 88177662 573099810 /nfs/dbraw/zinc/09/98/10/573099810.db2.gz KRSJSMJLEOFQJH-SFYZADRCSA-N 0 0 180.272 2.831 10 0 AFAERN O=C(c1cc[nH]c1)C(C1CC1)C1CC1 308501061 573099834 /nfs/dbraw/zinc/09/98/34/573099834.db2.gz WMEJUDRFJQMGKO-UHFFFAOYSA-N 0 0 189.258 2.634 10 0 AFAERN Cc1ccc(C)c([C@@H]2C[C@@H](O)[C@@H]2C)c1 88178882 573099857 /nfs/dbraw/zinc/09/98/57/573099857.db2.gz AIPOFHVSYPATFE-RAIGVLPGSA-N 0 0 190.286 2.788 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1cccc(C)c1 88178435 573099861 /nfs/dbraw/zinc/09/98/61/573099861.db2.gz RKELUCDFMNTNAI-XQQFMLRXSA-N 0 0 190.286 2.869 10 0 AFAERN Cc1ccccc1[C@H]1C[C@H](O)C1(C)C 88179049 573099892 /nfs/dbraw/zinc/09/98/92/573099892.db2.gz BAWXJZNLHJXQHH-NEPJUHHUSA-N 0 0 190.286 2.869 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H]1c1ccc(F)cc1 88177607 573099902 /nfs/dbraw/zinc/09/99/02/573099902.db2.gz UNTPWWRSIZJPLG-WDEREUQCSA-N 0 0 192.233 2.908 10 0 AFAERN Cc1ccsc1[C@@H]1C[C@@H](O)[C@@H]1C 88178650 573099910 /nfs/dbraw/zinc/09/99/10/573099910.db2.gz XKZJNDSJIRZXJG-IWSPIJDZSA-N 0 0 182.288 2.541 10 0 AFAERN Cc1ncccc1OCC[C@H](C)F 308254713 573099923 /nfs/dbraw/zinc/09/99/23/573099923.db2.gz JVJFKZQILTZDCQ-QMMMGPOBSA-N 0 0 183.226 2.517 10 0 AFAERN CC[C@H]1C(=O)C[C@H]1c1cccc(F)c1 88177832 573099935 /nfs/dbraw/zinc/09/99/35/573099935.db2.gz CSXHJHBCYXDYHI-MNOVXSKESA-N 0 0 192.233 2.908 10 0 AFAERN CC[C@@H]1CCC[C@H]([C@@H](C)O)CC1 85658251 573099942 /nfs/dbraw/zinc/09/99/42/573099942.db2.gz SGERDVOZXRNXIK-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1C(=O)C[C@H]1c1ccc(F)c(F)c1 88177198 573099946 /nfs/dbraw/zinc/09/99/46/573099946.db2.gz URXZPFKDDPVMDY-HTRCEHHLSA-N 0 0 196.196 2.657 10 0 AFAERN Cc1ccc([C@H]2C[C@@H](O)C2(C)C)cc1 88178979 573099987 /nfs/dbraw/zinc/09/99/87/573099987.db2.gz IKIFTLZEVUNXNB-VXGBXAGGSA-N 0 0 190.286 2.869 10 0 AFAERN CC(C)[C@@H](c1ccccc1)[C@@H](C)O 85658648 573100026 /nfs/dbraw/zinc/10/00/26/573100026.db2.gz LWJMRMBPQVYSJE-ZYHUDNBSSA-N 0 0 178.275 2.807 10 0 AFAERN CC1(C)[C@H](c2ccccc2)C[C@H]1O 88179194 573100027 /nfs/dbraw/zinc/10/00/27/573100027.db2.gz UZUANIOBIRRNEA-WDEREUQCSA-N 0 0 176.259 2.561 10 0 AFAERN C[C@H](CO)c1ccc(C2CC2)c(F)c1 257943591 573100045 /nfs/dbraw/zinc/10/00/45/573100045.db2.gz ABCKMOLOBWTKQW-MRVPVSSYSA-N 0 0 194.249 2.799 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1ccc(F)cc1 88178459 573100047 /nfs/dbraw/zinc/10/00/47/573100047.db2.gz LNBINUWMFQVFAE-TUAOUCFPSA-N 0 0 194.249 2.700 10 0 AFAERN CCc1ccc([C@@H]2C[C@@H](O)[C@@H]2C)cc1 88178686 573100066 /nfs/dbraw/zinc/10/00/66/573100066.db2.gz JPILWSGLCQSZDK-OASPWFOLSA-N 0 0 190.286 2.733 10 0 AFAERN CC[C@H]1C(=O)C[C@@H]1c1ccc(F)cc1 88177606 573100446 /nfs/dbraw/zinc/10/04/46/573100446.db2.gz UNTPWWRSIZJPLG-GHMZBOCLSA-N 0 0 192.233 2.908 10 0 AFAERN C[C@@H](O)[C@H]1CCCC(C)(C)CC1 85658377 573100075 /nfs/dbraw/zinc/10/00/75/573100075.db2.gz DCVRMLYLFIIEGS-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1C(=O)C[C@H]1c1ccsc1 88177909 573100076 /nfs/dbraw/zinc/10/00/76/573100076.db2.gz LMZMKSONDIIZKT-IUCAKERBSA-N 0 0 180.272 2.831 10 0 AFAERN Cc1cccc([C@H]2CC(=O)[C@H]2C)c1 88177153 573100091 /nfs/dbraw/zinc/10/00/91/573100091.db2.gz UIJVBSQZAMRLFO-ONGXEEELSA-N 0 0 174.243 2.688 10 0 AFAERN CCc1ccc([C@@H]2C[C@H](O)[C@@H]2C)s1 88178828 573100095 /nfs/dbraw/zinc/10/00/95/573100095.db2.gz BPABAWOOAHXOEQ-QNSHHTMESA-N 0 0 196.315 2.795 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@H]2C)cc1F 88177320 573100099 /nfs/dbraw/zinc/10/00/99/573100099.db2.gz HNJQSSXCDPEKDS-WCBMZHEXSA-N 0 0 192.233 2.827 10 0 AFAERN CC[C@H]1C(=O)C[C@H]1C(C)(C)C 88177624 573100146 /nfs/dbraw/zinc/10/01/46/573100146.db2.gz XGRBCHZUFUDNPQ-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1sccc1C 88178287 573100154 /nfs/dbraw/zinc/10/01/54/573100154.db2.gz WIILHOPKWPHPCI-GUBZILKMSA-N 0 0 196.315 2.931 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1c1cc(F)cc(F)c1 88177049 573100167 /nfs/dbraw/zinc/10/01/67/573100167.db2.gz LCHDZANSSSSOJP-WKEGUHRASA-N 0 0 196.196 2.657 10 0 AFAERN Cc1ccc(C(=O)c2ccc[nH]2)c(C)c1 82564060 573100169 /nfs/dbraw/zinc/10/01/69/573100169.db2.gz BTHGDPSIPAQNOV-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN Cc1cccc([C@H]2CC(=O)[C@@H]2C)c1 88177151 573100184 /nfs/dbraw/zinc/10/01/84/573100184.db2.gz UIJVBSQZAMRLFO-KOLCDFICSA-N 0 0 174.243 2.688 10 0 AFAERN CC[C@]1(C)C(=O)C[C@@H]1c1ccncc1 88178119 573100190 /nfs/dbraw/zinc/10/01/90/573100190.db2.gz DOKNQSQSLDTAJN-PWSUYJOCSA-N 0 0 189.258 2.554 10 0 AFAERN CC[C@H](C)[C@@H](O)C1CCCCC1 82561487 573100196 /nfs/dbraw/zinc/10/01/96/573100196.db2.gz YPYIDRGBYCDJDX-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@]1(C)C(=O)C[C@@H]1c1nccs1 88178043 573100205 /nfs/dbraw/zinc/10/02/05/573100205.db2.gz JIJZXFDFDNSHSP-XCBNKYQSSA-N 0 0 195.287 2.616 10 0 AFAERN CCSC(C)(C)[C@H](O)C(C)C 238279027 573100208 /nfs/dbraw/zinc/10/02/08/573100208.db2.gz UDQJWRKQMLPVHF-MRVPVSSYSA-N 0 0 176.325 2.535 10 0 AFAERN CC[C@H](C)c1cc(F)ccn1 238279044 573100215 /nfs/dbraw/zinc/10/02/15/573100215.db2.gz RKMXWVOOBMZMTG-ZETCQYMHSA-N 0 0 153.200 2.734 10 0 AFAERN Cc1cc([C@@H]2C[C@H](O)[C@@H]2C)ccc1F 88178652 573100231 /nfs/dbraw/zinc/10/02/31/573100231.db2.gz RRRXQGYZSLAUOX-UISBYWKRSA-N 0 0 194.249 2.618 10 0 AFAERN Cc1ccc(C)c([C@@H]2CC(=O)[C@@H]2C)c1 88177194 573100240 /nfs/dbraw/zinc/10/02/40/573100240.db2.gz SPUBPOXTWQLPML-ZYHUDNBSSA-N 0 0 188.270 2.996 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1ccccc1F 88178339 573100256 /nfs/dbraw/zinc/10/02/56/573100256.db2.gz ZYHPUSGLIJQUMT-PEXQALLHSA-N 0 0 194.249 2.700 10 0 AFAERN CC[C@@H]1Nc2c(O)cccc2C[C@@H]1C 238278005 573100259 /nfs/dbraw/zinc/10/02/59/573100259.db2.gz JMUCLUMFIKUIGY-WPRPVWTQSA-N 0 0 191.274 2.775 10 0 AFAERN CC[C@@H](c1ccc(C)cc1)[C@H](C)O 85658560 573100267 /nfs/dbraw/zinc/10/02/67/573100267.db2.gz AFUUNPAORHUNIG-CMPLNLGQSA-N 0 0 178.275 2.869 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ccccc1F 82561432 573100284 /nfs/dbraw/zinc/10/02/84/573100284.db2.gz SJMKGBDFHIVAJR-KCJUWKMLSA-N 0 0 182.238 2.905 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1c1ccc(F)c(F)c1 88177200 573100320 /nfs/dbraw/zinc/10/03/20/573100320.db2.gz URXZPFKDDPVMDY-SVRRBLITSA-N 0 0 196.196 2.657 10 0 AFAERN Cc1ccc([C@H]2C[C@H](O)C2(C)C)cc1 88178977 573100343 /nfs/dbraw/zinc/10/03/43/573100343.db2.gz IKIFTLZEVUNXNB-NEPJUHHUSA-N 0 0 190.286 2.869 10 0 AFAERN Cc1cc(C)cc([C@@H]2CC(=O)[C@@H]2C)c1 88177402 573100381 /nfs/dbraw/zinc/10/03/81/573100381.db2.gz UQBKJRIWJTUYKA-ZYHUDNBSSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1C[C@H](O)[C@@H]1C 88178844 573100401 /nfs/dbraw/zinc/10/04/01/573100401.db2.gz LDXXPZUDXBGNNX-FXAINCCUSA-N 0 0 194.249 2.618 10 0 AFAERN C[C@H](O)[C@H]1CCC[C@H](C(F)(F)F)C1 85658460 573100404 /nfs/dbraw/zinc/10/04/04/573100404.db2.gz MWMMKRRPCHJSKL-FXQIFTODSA-N 0 0 196.212 2.736 10 0 AFAERN Cc1cc(C)cc([C@H]2CC(=O)[C@H]2C)c1 88177405 573100419 /nfs/dbraw/zinc/10/04/19/573100419.db2.gz UQBKJRIWJTUYKA-JQWIXIFHSA-N 0 0 188.270 2.996 10 0 AFAERN Cc1cc([C@@H]2CC(=O)[C@H]2C)ccc1F 88177316 573100428 /nfs/dbraw/zinc/10/04/28/573100428.db2.gz BNRMFIYPTYMIDF-WCBMZHEXSA-N 0 0 192.233 2.827 10 0 AFAERN Cc1cccc(C(=O)c2ccc[nH]2)c1C 82564041 573101496 /nfs/dbraw/zinc/10/14/96/573101496.db2.gz NYGZSOTZROUFLD-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN Cn1ccc2cccc(Cl)c21 114683516 573101534 /nfs/dbraw/zinc/10/15/34/573101534.db2.gz JTAASMMWIYJFTO-UHFFFAOYSA-N 0 0 165.623 2.832 10 0 AFAERN CC1(C)C(=O)C[C@@H]1c1ccsc1 88177589 573100900 /nfs/dbraw/zinc/10/09/00/573100900.db2.gz JXENRCQQASFWTC-MRVPVSSYSA-N 0 0 180.272 2.831 10 0 AFAERN Cc1ccsc1[C@H]1CC(=O)[C@@H]1C 88177351 573100906 /nfs/dbraw/zinc/10/09/06/573100906.db2.gz PZFJWGUHKTXMSC-SFYZADRCSA-N 0 0 180.272 2.749 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1ccc(C)s1 88178319 573100932 /nfs/dbraw/zinc/10/09/32/573100932.db2.gz XJEVUKWCPQGQAF-GUBZILKMSA-N 0 0 196.315 2.931 10 0 AFAERN CCc1ccc([C@@H]2CC(=O)[C@@H]2C)cc1 88177134 573100942 /nfs/dbraw/zinc/10/09/42/573100942.db2.gz HUBCJJBAYGKHKA-BXKDBHETSA-N 0 0 188.270 2.942 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1c1ccc(F)cc1F 88177204 573100954 /nfs/dbraw/zinc/10/09/54/573100954.db2.gz IZVZAGHOEULLRC-MUWHJKNJSA-N 0 0 196.196 2.657 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@@H]2C)s1 88177299 573100959 /nfs/dbraw/zinc/10/09/59/573100959.db2.gz KOBARAXVIBVBML-SFYZADRCSA-N 0 0 180.272 2.749 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1c1c(F)cccc1F 88177171 573100962 /nfs/dbraw/zinc/10/09/62/573100962.db2.gz VZJNRCBWRKPQIB-NKWVEPMBSA-N 0 0 196.196 2.657 10 0 AFAERN CC1(C)[C@@H](O)C[C@H]1c1ccccc1F 88179076 573100969 /nfs/dbraw/zinc/10/09/69/573100969.db2.gz ARPNGSKMJFICOX-ONGXEEELSA-N 0 0 194.249 2.700 10 0 AFAERN CC(C)[C@@H](C)C(=O)OCC[C@@H](C)F 308256570 573100972 /nfs/dbraw/zinc/10/09/72/573100972.db2.gz KYXGORMSJHAMGT-RKDXNWHRSA-N 0 0 190.258 2.570 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1C[C@@H](O)[C@@H]1C 88178846 573100975 /nfs/dbraw/zinc/10/09/75/573100975.db2.gz LDXXPZUDXBGNNX-GGZOMVNGSA-N 0 0 194.249 2.618 10 0 AFAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1ccsc1 88178343 573100987 /nfs/dbraw/zinc/10/09/87/573100987.db2.gz PWMMLXAADWMZFO-AEJSXWLSSA-N 0 0 182.288 2.623 10 0 AFAERN Cc1cc(C)cc([C@@H]2CC(=O)[C@H]2C)c1 88177404 573101006 /nfs/dbraw/zinc/10/10/06/573101006.db2.gz UQBKJRIWJTUYKA-CMPLNLGQSA-N 0 0 188.270 2.996 10 0 AFAERN CC[C@H](C)c1ncc(C(C)=O)c(C)n1 82562847 573101008 /nfs/dbraw/zinc/10/10/08/573101008.db2.gz NCSHVQMUUSARSA-ZETCQYMHSA-N 0 0 192.262 2.501 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@@H]2C)cc1C 88177395 573101026 /nfs/dbraw/zinc/10/10/26/573101026.db2.gz NIARZPOXSUXVFI-PWSUYJOCSA-N 0 0 188.270 2.996 10 0 AFAERN CC(C)[C@H](C)OC(=O)C[C@H]1C[C@H]1C 308256627 573101042 /nfs/dbraw/zinc/10/10/42/573101042.db2.gz LBVOANQWOLZSDJ-KXUCPTDWSA-N 0 0 184.279 2.620 10 0 AFAERN C[C@@H]1[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 88178623 573101052 /nfs/dbraw/zinc/10/10/52/573101052.db2.gz VSYFGMFFJMBNRO-SWPVVBRQSA-N 0 0 196.677 2.824 10 0 AFAERN CC[C@@H]1CCC[C@@H]([C@@H](C)O)CC1 85658254 573101061 /nfs/dbraw/zinc/10/10/61/573101061.db2.gz SGERDVOZXRNXIK-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc([C@H]2CC(=O)[C@H]2C)c(C)c1 88177373 573101062 /nfs/dbraw/zinc/10/10/62/573101062.db2.gz CMRTVZUZQPGBFY-JQWIXIFHSA-N 0 0 188.270 2.996 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1c1ccc(F)cc1F 88177205 573101075 /nfs/dbraw/zinc/10/10/75/573101075.db2.gz IZVZAGHOEULLRC-RCOVLWMOSA-N 0 0 196.196 2.657 10 0 AFAERN CC[C@@H](CO)c1cccc(Cl)c1 85657493 573101076 /nfs/dbraw/zinc/10/10/76/573101076.db2.gz FOSIMBNAZPPBKI-QMMMGPOBSA-N 0 0 184.666 2.826 10 0 AFAERN Cc1cccc([C@@H]2C[C@@H](O)[C@@H]2C)c1C 88178906 573101087 /nfs/dbraw/zinc/10/10/87/573101087.db2.gz OMNYXPXEQKHLPY-RAIGVLPGSA-N 0 0 190.286 2.788 10 0 AFAERN Cc1ccc([C@@H]2CC(=O)[C@H]2C)c(C)c1 88177372 573101094 /nfs/dbraw/zinc/10/10/94/573101094.db2.gz CMRTVZUZQPGBFY-CMPLNLGQSA-N 0 0 188.270 2.996 10 0 AFAERN CCc1ccc([C@H]2CC(=O)[C@@H]2C)cc1 88177135 573101106 /nfs/dbraw/zinc/10/11/06/573101106.db2.gz HUBCJJBAYGKHKA-SKDRFNHKSA-N 0 0 188.270 2.942 10 0 AFAERN Cc1ccc([C@@H]2C[C@@H](O)[C@@H]2C)s1 88178690 573101133 /nfs/dbraw/zinc/10/11/33/573101133.db2.gz STOBPSVPSMDQQV-IWSPIJDZSA-N 0 0 182.288 2.541 10 0 AFAERN CC[C@@]1(C)C(=O)C[C@H]1c1ccccn1 88178112 573101146 /nfs/dbraw/zinc/10/11/46/573101146.db2.gz FIQBCUWNBBYVRQ-JOYOIKCWSA-N 0 0 189.258 2.554 10 0 AFAERN CC1(C)C(=O)C[C@H]1c1ccsc1 88177588 573101192 /nfs/dbraw/zinc/10/11/92/573101192.db2.gz JXENRCQQASFWTC-QMMMGPOBSA-N 0 0 180.272 2.831 10 0 AFAERN Cc1cc(F)ccc1[C@@H]1CC(=O)[C@H]1C 88177264 573101207 /nfs/dbraw/zinc/10/12/07/573101207.db2.gz GSVYDEBOCNLEHY-GZMMTYOYSA-N 0 0 192.233 2.827 10 0 AFAERN Clc1ncc(C2CCCC2)o1 258478198 573101178 /nfs/dbraw/zinc/10/11/78/573101178.db2.gz IGYNCCZRLOTBDE-UHFFFAOYSA-N 0 0 171.627 2.986 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1c1cc(F)ccc1F 88177044 573101183 /nfs/dbraw/zinc/10/11/83/573101183.db2.gz MJFDTOTUCXQREO-SVRRBLITSA-N 0 0 196.196 2.657 10 0 AFAERN CC[C@H](C)c1nc2c(C)ccnc2[nH]1 82563707 573101219 /nfs/dbraw/zinc/10/12/19/573101219.db2.gz HTYJDHMHEHYFMY-ZETCQYMHSA-N 0 0 189.262 2.780 10 0 AFAERN CC[C@H]1C(=O)C[C@@H]1c1ccccc1F 88177726 573101240 /nfs/dbraw/zinc/10/12/40/573101240.db2.gz NRQSSWMMUBPWSO-SCZZXKLOSA-N 0 0 192.233 2.908 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ccccc1F 82561435 573101242 /nfs/dbraw/zinc/10/12/42/573101242.db2.gz SJMKGBDFHIVAJR-GZMMTYOYSA-N 0 0 182.238 2.905 10 0 AFAERN CC[C@H](C)c1noc(NC(C)(C)C)n1 82562831 573101291 /nfs/dbraw/zinc/10/12/91/573101291.db2.gz RFZXKNVLMNFFTJ-ZETCQYMHSA-N 0 0 197.282 2.794 10 0 AFAERN C[C@@H](O)[C@@H]1CCCC(C)(C)CC1 85658374 573101317 /nfs/dbraw/zinc/10/13/17/573101317.db2.gz DCVRMLYLFIIEGS-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1Nc2ccccc2[C@]1(C)OC 238278814 573101348 /nfs/dbraw/zinc/10/13/48/573101348.db2.gz VEBPATCGCMJQFT-RYUDHWBXSA-N 0 0 191.274 2.752 10 0 AFAERN CCOc1ccc(SOC)cc1 259328014 573101349 /nfs/dbraw/zinc/10/13/49/573101349.db2.gz WSGUWOKNLXQSDC-UHFFFAOYSA-N 0 0 184.260 2.739 10 0 AFAERN CC[C@H](C)C(=O)C(C)(C)C 82561375 573101374 /nfs/dbraw/zinc/10/13/74/573101374.db2.gz BUOFKUBCLQLWBP-ZETCQYMHSA-N 0 0 142.242 2.648 10 0 AFAERN CCc1c(N)cnn1C1CCCCC1 85634639 573101411 /nfs/dbraw/zinc/10/14/11/573101411.db2.gz INRCRVLMSNRKGN-UHFFFAOYSA-N 0 0 193.294 2.533 10 0 AFAERN CC(C)c1noc(N)c1C(C)C 77262830 573101499 /nfs/dbraw/zinc/10/14/99/573101499.db2.gz NMUDPIAWKDSEOR-UHFFFAOYSA-N 0 0 168.240 2.504 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1ccccc1F 82561434 573101543 /nfs/dbraw/zinc/10/15/43/573101543.db2.gz SJMKGBDFHIVAJR-LDYMZIIASA-N 0 0 182.238 2.905 10 0 AFAERN CCc1ccc(C(=O)c2ccc[nH]2)cc1 82564066 573101629 /nfs/dbraw/zinc/10/16/29/573101629.db2.gz HWOKDGZMVTXPSB-UHFFFAOYSA-N 0 0 199.253 2.808 10 0 AFAERN CC[C@@H]1Nc2ccccc2N=C1C 238278679 573101647 /nfs/dbraw/zinc/10/16/47/573101647.db2.gz ZABNXCABCSUQNK-VIFPVBQESA-N 0 0 174.247 2.983 10 0 AFAERN CC[C@H](C)[C@@H](O)C1CCCC1 82561427 573101745 /nfs/dbraw/zinc/10/17/45/573101745.db2.gz NQCXJVYMFVOFGZ-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1C[C@@H](C)Nc2cc(N)ccc21 238279124 573101697 /nfs/dbraw/zinc/10/16/97/573101697.db2.gz MJXZNHKIWHCZOV-RKDXNWHRSA-N 0 0 190.290 2.967 10 0 AFAERN CC[C@@H](C)C(=O)c1ccc(C)nc1 82561298 573101717 /nfs/dbraw/zinc/10/17/17/573101717.db2.gz XLJMCCPTQQHHPY-MRVPVSSYSA-N 0 0 177.247 2.619 10 0 AFAERN Cc1[nH]c2ccccc2c1[C@H](C)O 77265828 573101736 /nfs/dbraw/zinc/10/17/36/573101736.db2.gz HSMWFYAYCAXXKN-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN Cc1[nH]c2ccccc2c1[C@@H](C)O 77265825 573101752 /nfs/dbraw/zinc/10/17/52/573101752.db2.gz HSMWFYAYCAXXKN-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN CC(C)[C@H](C)OC(=O)C[C@@H]1C[C@H]1C 308256919 573101769 /nfs/dbraw/zinc/10/17/69/573101769.db2.gz LBVOANQWOLZSDJ-UTLUCORTSA-N 0 0 184.279 2.620 10 0 AFAERN Cc1c[nH]c(Oc2ccccc2)n1 257941695 573101770 /nfs/dbraw/zinc/10/17/70/573101770.db2.gz VPJMMRHJLDARPK-UHFFFAOYSA-N 0 0 174.203 2.510 10 0 AFAERN C[C@@H]1C(=O)[C@@H](C)C1c1ccc(F)cc1 88183270 573101799 /nfs/dbraw/zinc/10/17/99/573101799.db2.gz DVZCLQRBIKWTAX-YUMQZZPRSA-N 0 0 192.233 2.764 10 0 AFAERN CC1(C)[C@@H](O)C[C@H]1c1cccc(F)c1 88179280 573101806 /nfs/dbraw/zinc/10/18/06/573101806.db2.gz KSZPJFZURUQFNA-QWRGUYRKSA-N 0 0 194.249 2.700 10 0 AFAERN CC[C@@H](O)[C@]1(C)CC=CCC1 238277784 573101846 /nfs/dbraw/zinc/10/18/46/573101846.db2.gz AIQHEZBFQNAGSB-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@@H]1Nc2ccccc2C(=O)[C@@H]1C 238278425 573101927 /nfs/dbraw/zinc/10/19/27/573101927.db2.gz BQOQMZFXQILCAR-SCZZXKLOSA-N 0 0 189.258 2.710 10 0 AFAERN C[C@@H]1C(=O)[C@H]2CCCCCC[C@@H]12 88183287 573101928 /nfs/dbraw/zinc/10/19/28/573101928.db2.gz MRCKDPJJXAYKCU-GUBZILKMSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1C(=O)[C@H]2CCc3ccccc3[C@@H]12 88183296 573101965 /nfs/dbraw/zinc/10/19/65/573101965.db2.gz PSEPUYYGNJLEIV-KPXOXKRLSA-N 0 0 186.254 2.551 10 0 AFAERN Cc1c(Cl)ncnc1NCC(C)C 82565524 573102015 /nfs/dbraw/zinc/10/20/15/573102015.db2.gz KGHFBTZJZOUTIZ-UHFFFAOYSA-N 0 0 199.685 2.506 10 0 AFAERN CC[C@@H](c1ccc(F)cc1)[C@@H](C)O 85658795 573102021 /nfs/dbraw/zinc/10/20/21/573102021.db2.gz AREYIJGLFQCGDH-LDYMZIIASA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@]1(C)[C@@H](O)C[C@@H]1C(C)(C)C 88179451 573102035 /nfs/dbraw/zinc/10/20/35/573102035.db2.gz NHYKQXHXBOQOHL-YWVKMMECSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1nc(Cl)c(C)c(NC(C)C)n1 82565497 573102078 /nfs/dbraw/zinc/10/20/78/573102078.db2.gz OJCWNKCMLCBSOZ-UHFFFAOYSA-N 0 0 199.685 2.567 10 0 AFAERN CCC1(CC)C(=O)[C@@H]2CCC[C@H]21 88183622 573102974 /nfs/dbraw/zinc/10/29/74/573102974.db2.gz PZFOLOKGBUMUSU-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H](c1ccc(F)cc1)[C@H](C)O 85658799 573102142 /nfs/dbraw/zinc/10/21/42/573102142.db2.gz AREYIJGLFQCGDH-GZMMTYOYSA-N 0 0 182.238 2.700 10 0 AFAERN C[C@H]1C(=O)[C@H](C)C1c1cccs1 88183144 573102145 /nfs/dbraw/zinc/10/21/45/573102145.db2.gz XPOHUAPTVBLYNW-RNFRBKRXSA-N 0 0 180.272 2.687 10 0 AFAERN C[C@@H]1C(=O)[C@@H](C)C1c1ccccc1 88183263 573102168 /nfs/dbraw/zinc/10/21/68/573102168.db2.gz RCRZAYQYZJHAQS-IUCAKERBSA-N 0 0 174.243 2.625 10 0 AFAERN COc1ccc([C@H](C)C(C)=O)cc1F 85662183 573102185 /nfs/dbraw/zinc/10/21/85/573102185.db2.gz CMTNSBYDKGFMQQ-SSDOTTSWSA-N 0 0 196.221 2.527 10 0 AFAERN CC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C 85662244 573102191 /nfs/dbraw/zinc/10/21/91/573102191.db2.gz SOORFFQWTKCPDH-OYNCUSHFSA-N 0 0 154.253 2.648 10 0 AFAERN CC1(C)[C@H](O)C[C@@H]1c1cccc(F)c1 88179283 573102195 /nfs/dbraw/zinc/10/21/95/573102195.db2.gz KSZPJFZURUQFNA-GHMZBOCLSA-N 0 0 194.249 2.700 10 0 AFAERN C[C@@H]1[C@@H](O)C(C)(C)[C@@H]1c1cccs1 88184277 573102213 /nfs/dbraw/zinc/10/22/13/573102213.db2.gz PXPFMCFXWKRJNR-UJNFCWOMSA-N 0 0 196.315 2.869 10 0 AFAERN CC(=O)[C@H](C)c1cccc(F)c1 85662252 573102246 /nfs/dbraw/zinc/10/22/46/573102246.db2.gz ZGDNBHADGLFKCV-ZETCQYMHSA-N 0 0 166.195 2.518 10 0 AFAERN CC[C@]1(C)[C@@H](O)C[C@@H]1c1ccccc1 88179455 573102981 /nfs/dbraw/zinc/10/29/81/573102981.db2.gz AHCXWCRXHLGHQT-AGIUHOORSA-N 0 0 190.286 2.951 10 0 AFAERN CC[C@@H]1Nc2ccccc2C(=O)[C@H]1C 238278458 573102300 /nfs/dbraw/zinc/10/23/00/573102300.db2.gz BQOQMZFXQILCAR-WPRPVWTQSA-N 0 0 189.258 2.710 10 0 AFAERN CCC1(CC)C(=O)[C@H]2CCC[C@@H]21 88183620 573102351 /nfs/dbraw/zinc/10/23/51/573102351.db2.gz PZFOLOKGBUMUSU-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H]1Nc2cc(O)ccc2C[C@H]1C 238278251 573102369 /nfs/dbraw/zinc/10/23/69/573102369.db2.gz UDFPCHGDMLLOTL-KCJUWKMLSA-N 0 0 191.274 2.775 10 0 AFAERN COCCC[C@@H]1CNc2ccccc21 257941193 573102411 /nfs/dbraw/zinc/10/24/11/573102411.db2.gz BSSLQTJONGXSBK-SNVBAGLBSA-N 0 0 191.274 2.622 10 0 AFAERN CC1(C)C(=O)[C@@H]2CCCCC[C@H]21 88183317 573102426 /nfs/dbraw/zinc/10/24/26/573102426.db2.gz CGEZYCVEMAAUMD-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H](O)[C@@H]1CCCCc2ccccc21 85658844 573102428 /nfs/dbraw/zinc/10/24/28/573102428.db2.gz JZQCAMBCXLPEEY-PWSUYJOCSA-N 0 0 190.286 2.877 10 0 AFAERN C[C@H]1C(O)[C@H](C)C1c1ccc(F)cc1 88184073 573102437 /nfs/dbraw/zinc/10/24/37/573102437.db2.gz IMIKEDTWLMPCGT-JWWSKVQJSA-N 0 0 194.249 2.556 10 0 AFAERN CC(=O)[C@@H]1C[C@H](C)CC[C@H]1C 85662247 573102468 /nfs/dbraw/zinc/10/24/68/573102468.db2.gz SOORFFQWTKCPDH-NQMVMOMDSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@@H]1[C@@H](O)C[C@@H]1c1ccccc1 88183689 573102483 /nfs/dbraw/zinc/10/24/83/573102483.db2.gz UWCXTGGWXZYSGG-AGIUHOORSA-N 0 0 190.286 2.807 10 0 AFAERN CC1(C)[C@H](c2cccc(F)c2)C[C@H]1O 88179282 573102514 /nfs/dbraw/zinc/10/25/14/573102514.db2.gz KSZPJFZURUQFNA-WDEREUQCSA-N 0 0 194.249 2.700 10 0 AFAERN CC(C)(C)CC(=O)c1ccc[nH]1 82564081 573102532 /nfs/dbraw/zinc/10/25/32/573102532.db2.gz IIUVLRAXZSMXLB-UHFFFAOYSA-N 0 0 165.236 2.634 10 0 AFAERN O=C1C[C@H]2c3ccccc3CCC[C@@H]12 88183017 573102539 /nfs/dbraw/zinc/10/25/39/573102539.db2.gz DDHMIYPDCNSLKI-NEPJUHHUSA-N 0 0 186.254 2.696 10 0 AFAERN O[C@@H](CC1CCCC1)c1cc[nH]c1 82564676 573102568 /nfs/dbraw/zinc/10/25/68/573102568.db2.gz YISSWTMXJVHAPY-NSHDSACASA-N 0 0 179.263 2.628 10 0 AFAERN CC1(C)C(=O)[C@@H]2CCCCC[C@@H]21 88183319 573102573 /nfs/dbraw/zinc/10/25/73/573102573.db2.gz CGEZYCVEMAAUMD-BDAKNGLRSA-N 0 0 166.264 2.792 10 0 AFAERN CC/C=C/CCCC(C)=O 114639576 573102577 /nfs/dbraw/zinc/10/25/77/573102577.db2.gz TVHAWOPAFXXIQM-SNAWJCMRSA-N 0 0 140.226 2.712 10 0 AFAERN Fc1cc2ccccc2o1 114652040 573105468 /nfs/dbraw/zinc/10/54/68/573105468.db2.gz LODIRNHHOYPTKA-UHFFFAOYSA-N 0 0 136.125 2.572 10 0 AFAERN COCCC[C@H]1CNc2ccccc21 257941190 573102628 /nfs/dbraw/zinc/10/26/28/573102628.db2.gz BSSLQTJONGXSBK-JTQLQIEISA-N 0 0 191.274 2.622 10 0 AFAERN CC(=O)C1[C@H](C)CCC[C@H]1C 85662237 573102963 /nfs/dbraw/zinc/10/29/63/573102963.db2.gz AWYAQQOTEWIJLI-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CC/C=C\CCC[C@@H](C)O 114639203 573102724 /nfs/dbraw/zinc/10/27/24/573102724.db2.gz QDFDXJMZVKJYKY-XRVBUDJMSA-N 0 0 142.242 2.504 10 0 AFAERN CC(=O)[C@H](C)c1ccc(F)cc1 85662298 573102749 /nfs/dbraw/zinc/10/27/49/573102749.db2.gz YAVUGYPYWDGIBK-ZETCQYMHSA-N 0 0 166.195 2.518 10 0 AFAERN C[C@@H](F)CCOc1ccccc1F 308257503 573102830 /nfs/dbraw/zinc/10/28/30/573102830.db2.gz LPCUHEZVUSERGT-MRVPVSSYSA-N 0 0 186.201 2.953 10 0 AFAERN Cc1ccc(CC(=O)c2ccc[nH]2)cc1 82564084 573102832 /nfs/dbraw/zinc/10/28/32/573102832.db2.gz RSTUXQOFOJTUHY-UHFFFAOYSA-N 0 0 199.253 2.749 10 0 AFAERN CC1(C)[C@H](c2ccc(F)cc2)C[C@H]1O 88179198 573102847 /nfs/dbraw/zinc/10/28/47/573102847.db2.gz SUARFSAHJRFBEW-WDEREUQCSA-N 0 0 194.249 2.700 10 0 AFAERN CC[C@@H]1C(=O)[C@H]2CCCCC[C@@H]12 88183047 573102863 /nfs/dbraw/zinc/10/28/63/573102863.db2.gz ROPHAVTVBAOACC-GUBZILKMSA-N 0 0 166.264 2.792 10 0 AFAERN O[C@@H](c1ccc[nH]1)C1CCCCC1 82564541 573102867 /nfs/dbraw/zinc/10/28/67/573102867.db2.gz FFSOQCFAUREGGX-LLVKDONJSA-N 0 0 179.263 2.628 10 0 AFAERN Cc1ccccc1CC(=O)c1cc[nH]c1 82564247 573102892 /nfs/dbraw/zinc/10/28/92/573102892.db2.gz LIPRMFSQXWKEQB-UHFFFAOYSA-N 0 0 199.253 2.749 10 0 AFAERN CC(=O)[C@@H](C)c1cccc(F)c1 85662250 573102909 /nfs/dbraw/zinc/10/29/09/573102909.db2.gz ZGDNBHADGLFKCV-SSDOTTSWSA-N 0 0 166.195 2.518 10 0 AFAERN CC[C@]1(C)C(=O)[C@H]2CCCC[C@H]21 88183553 573102917 /nfs/dbraw/zinc/10/29/17/573102917.db2.gz BZKBWJAQVQBUNA-NGZCFLSTSA-N 0 0 166.264 2.792 10 0 AFAERN CCSC(C)(C)[C@@H](O)C(C)C 238279011 573102930 /nfs/dbraw/zinc/10/29/30/573102930.db2.gz UDQJWRKQMLPVHF-QMMMGPOBSA-N 0 0 176.325 2.535 10 0 AFAERN CC(=O)[C@@H](C)c1ccc(C)s1 85662431 573110294 /nfs/dbraw/zinc/11/02/94/573110294.db2.gz IYSNCNUCIRMQHZ-SSDOTTSWSA-N 0 0 168.261 2.749 10 0 AFAERN CCc1ccc(C(=O)c2cc[nH]c2)cc1 82564204 573103487 /nfs/dbraw/zinc/10/34/87/573103487.db2.gz ZJOVEWRRSUQOMN-UHFFFAOYSA-N 0 0 199.253 2.808 10 0 AFAERN CC[C@H](c1ccc(F)cc1)[C@@H](C)O 85658797 573103652 /nfs/dbraw/zinc/10/36/52/573103652.db2.gz AREYIJGLFQCGDH-KCJUWKMLSA-N 0 0 182.238 2.700 10 0 AFAERN CC(=O)[C@@H]1CCC[C@H](C)CC1 85662274 573103557 /nfs/dbraw/zinc/10/35/57/573103557.db2.gz STNXVJGWYAFWNA-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](C)c1cc(Cl)n(C)n1 238278978 573103561 /nfs/dbraw/zinc/10/35/61/573103561.db2.gz WVHNYFITANDSPQ-LURJTMIESA-N 0 0 172.659 2.587 10 0 AFAERN C[C@@H]1C(=O)[C@@H](C)C1c1cccs1 88183142 573103564 /nfs/dbraw/zinc/10/35/64/573103564.db2.gz XPOHUAPTVBLYNW-BQBZGAKWSA-N 0 0 180.272 2.687 10 0 AFAERN CC1(C)C(=O)[C@H]2Cc3ccccc3[C@H]21 88183393 573103630 /nfs/dbraw/zinc/10/36/30/573103630.db2.gz FLVLVNKQESSWKP-WDEREUQCSA-N 0 0 186.254 2.551 10 0 AFAERN CCCc1cc(O)cc(O)c1Cl 238278049 573103632 /nfs/dbraw/zinc/10/36/32/573103632.db2.gz HXFXBCKLPNCFSC-UHFFFAOYSA-N 0 0 186.638 2.704 10 0 AFAERN Nc1ccc(NC2CC2)c(C(F)F)c1 82564955 573103666 /nfs/dbraw/zinc/10/36/66/573103666.db2.gz IMKBENDVKJVSAL-UHFFFAOYSA-N 0 0 198.216 2.781 10 0 AFAERN CC(=O)[C@@H]1C[C@H](C)CC[C@@H]1C 85662242 573103671 /nfs/dbraw/zinc/10/36/71/573103671.db2.gz SOORFFQWTKCPDH-KHQFGBGNSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc(C2[C@@H](C)C(=O)[C@@H]2C)cc1 88183155 573103711 /nfs/dbraw/zinc/10/37/11/573103711.db2.gz DOZNKVVUNCKSSX-NXEZZACHSA-N 0 0 188.270 2.934 10 0 AFAERN CC1(CCOC(=O)C2(C)CC2)CC1 308256927 573103770 /nfs/dbraw/zinc/10/37/70/573103770.db2.gz LCGHIKWANLWELR-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC1(C)C(=O)[C@H]2CCCCC[C@@H]21 88183314 573103796 /nfs/dbraw/zinc/10/37/96/573103796.db2.gz CGEZYCVEMAAUMD-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN O=C1C[C@@H]2c3ccccc3CCC[C@H]12 88183016 573103845 /nfs/dbraw/zinc/10/38/45/573103845.db2.gz DDHMIYPDCNSLKI-NWDGAFQWSA-N 0 0 186.254 2.696 10 0 AFAERN CCCc1cc(O)c(N)cc1Cl 238277745 573103920 /nfs/dbraw/zinc/10/39/20/573103920.db2.gz OYKMDLZRDUTIIU-UHFFFAOYSA-N 0 0 185.654 2.580 10 0 AFAERN CC(=O)[C@@H](C)c1ccc(C)c(C)c1 85662222 573104234 /nfs/dbraw/zinc/10/42/34/573104234.db2.gz BWOAHYHVBKOABM-SNVBAGLBSA-N 0 0 176.259 2.996 10 0 AFAERN C[C@H]1[C@@H](c2ccccc2)C(C)(C)[C@@H]1O 88184249 573103966 /nfs/dbraw/zinc/10/39/66/573103966.db2.gz VNOFUKHUBWBNLW-ZMLRMANQSA-N 0 0 190.286 2.807 10 0 AFAERN Cc1cccc(CC(=O)c2cc[nH]c2)c1 82564267 573104097 /nfs/dbraw/zinc/10/40/97/573104097.db2.gz AYECCUOHGULFFW-UHFFFAOYSA-N 0 0 199.253 2.749 10 0 AFAERN CNc1ccccc1-c1ccccn1 114650182 573104098 /nfs/dbraw/zinc/10/40/98/573104098.db2.gz FIVXIUHUJPKCEN-UHFFFAOYSA-N 0 0 184.242 2.790 10 0 AFAERN CCSc1ncnc(Cl)c1C 82573065 573104107 /nfs/dbraw/zinc/10/41/07/573104107.db2.gz KYBBXHOXQUKDKK-UHFFFAOYSA-N 0 0 188.683 2.550 10 0 AFAERN CC[C@@H]1Nc2c(O)cccc2C[C@H]1C 238278018 573104110 /nfs/dbraw/zinc/10/41/10/573104110.db2.gz JMUCLUMFIKUIGY-SCZZXKLOSA-N 0 0 191.274 2.775 10 0 AFAERN CC[C@@H]1Nc2cc(N)ccc2C[C@H]1C 238278222 573104132 /nfs/dbraw/zinc/10/41/32/573104132.db2.gz FQAJUDPTQYEYLU-KCJUWKMLSA-N 0 0 190.290 2.652 10 0 AFAERN CC[C@@H]1Nc2cc(N)ccc2C[C@@H]1C 238278209 573104139 /nfs/dbraw/zinc/10/41/39/573104139.db2.gz FQAJUDPTQYEYLU-KWQFWETISA-N 0 0 190.290 2.652 10 0 AFAERN Cc1ccc(C2[C@H](C)C(=O)[C@H]2C)cc1 88183157 573104235 /nfs/dbraw/zinc/10/42/35/573104235.db2.gz DOZNKVVUNCKSSX-UWVGGRQHSA-N 0 0 188.270 2.934 10 0 AFAERN CC(C)[C@H](C)C(=O)OCC[C@H](C)F 308256569 573104299 /nfs/dbraw/zinc/10/42/99/573104299.db2.gz KYXGORMSJHAMGT-IUCAKERBSA-N 0 0 190.258 2.570 10 0 AFAERN CC[C@@H](C(C)=O)c1ccc(F)cc1 85662208 573104305 /nfs/dbraw/zinc/10/43/05/573104305.db2.gz JWXYIVVMXYHYCJ-NSHDSACASA-N 0 0 180.222 2.908 10 0 AFAERN CC[C@H](C)Nc1ncnc(Cl)c1C 82565514 573104317 /nfs/dbraw/zinc/10/43/17/573104317.db2.gz OPDWONKEQNDIEN-LURJTMIESA-N 0 0 199.685 2.649 10 0 AFAERN Cc1ccc(C(=O)c2cc[nH]c2)s1 82564219 573104332 /nfs/dbraw/zinc/10/43/32/573104332.db2.gz YMDQWQPYQPGCKW-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN CC1(C)[C@@H](O)C[C@H]1c1ccc(F)cc1 88179196 573104354 /nfs/dbraw/zinc/10/43/54/573104354.db2.gz SUARFSAHJRFBEW-QWRGUYRKSA-N 0 0 194.249 2.700 10 0 AFAERN O[C@H](CC1CCCC1)c1ccc[nH]1 82564383 573104365 /nfs/dbraw/zinc/10/43/65/573104365.db2.gz HOEHNKYALDTWSJ-LLVKDONJSA-N 0 0 179.263 2.628 10 0 AFAERN Cc1ccc(C2[C@@H](C)C(O)[C@@H]2C)cc1 88184049 573104368 /nfs/dbraw/zinc/10/43/68/573104368.db2.gz NBFGWIBPNLPTQV-ITSCGTHASA-N 0 0 190.286 2.725 10 0 AFAERN CCC(C)(C)C(=O)c1cc[nH]c1 82564187 573104399 /nfs/dbraw/zinc/10/43/99/573104399.db2.gz MYCSYERJGSXZFP-UHFFFAOYSA-N 0 0 165.236 2.634 10 0 AFAERN CC(=O)[C@H](C)c1cc(C)ccc1C 85662311 573104481 /nfs/dbraw/zinc/10/44/81/573104481.db2.gz HIUYVCMYABAGES-JTQLQIEISA-N 0 0 176.259 2.996 10 0 AFAERN CC[C@]1(C)C(=O)[C@H]2CCCC[C@@H]21 88183558 573104490 /nfs/dbraw/zinc/10/44/90/573104490.db2.gz BZKBWJAQVQBUNA-QXEWZRGKSA-N 0 0 166.264 2.792 10 0 AFAERN O=C1C[C@@H]2c3ccccc3CCC[C@@H]12 88183015 573104499 /nfs/dbraw/zinc/10/44/99/573104499.db2.gz DDHMIYPDCNSLKI-VXGBXAGGSA-N 0 0 186.254 2.696 10 0 AFAERN CC(C)[C@H](C)OC(=O)C[C@H]1C[C@@H]1C 308256628 573104521 /nfs/dbraw/zinc/10/45/21/573104521.db2.gz LBVOANQWOLZSDJ-LPEHRKFASA-N 0 0 184.279 2.620 10 0 AFAERN CCC1(CC)C(=O)[C@@H]2CCC[C@@H]21 88183624 573104526 /nfs/dbraw/zinc/10/45/26/573104526.db2.gz PZFOLOKGBUMUSU-BDAKNGLRSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H](C(C)=O)c1ccc(F)cc1 85662207 573104561 /nfs/dbraw/zinc/10/45/61/573104561.db2.gz JWXYIVVMXYHYCJ-LLVKDONJSA-N 0 0 180.222 2.908 10 0 AFAERN C[C@@H](O)[C@H]1CCCCc2ccccc21 85658846 573104567 /nfs/dbraw/zinc/10/45/67/573104567.db2.gz JZQCAMBCXLPEEY-ZYHUDNBSSA-N 0 0 190.286 2.877 10 0 AFAERN CCCOC(=O)NC(C)(C)CCC 225035620 573104578 /nfs/dbraw/zinc/10/45/78/573104578.db2.gz QSNVFYHIIWAKBI-UHFFFAOYSA-N 0 0 187.283 2.701 10 0 AFAERN CC(C)[C@H](C)C(=O)OCC[C@@H](C)F 308256567 573104615 /nfs/dbraw/zinc/10/46/15/573104615.db2.gz KYXGORMSJHAMGT-BDAKNGLRSA-N 0 0 190.258 2.570 10 0 AFAERN C[C@H]1C(=O)c2sccc2[C@@H]1C 114643882 573104623 /nfs/dbraw/zinc/10/46/23/573104623.db2.gz KWGXHAKFXRZDCB-PHDIDXHHSA-N 0 0 166.245 2.684 10 0 AFAERN C[C@H](F)CCOc1ccccc1F 308257505 573104652 /nfs/dbraw/zinc/10/46/52/573104652.db2.gz LPCUHEZVUSERGT-QMMMGPOBSA-N 0 0 186.201 2.953 10 0 AFAERN CC[C@@H]1C[C@@H]1c1ccsc1N 238280340 573104654 /nfs/dbraw/zinc/10/46/54/573104654.db2.gz LEMVUJRLXNHXCZ-SVRRBLITSA-N 0 0 167.277 2.844 10 0 AFAERN Cc1ccsc1C(=O)c1ccc[nH]1 82564086 573104656 /nfs/dbraw/zinc/10/46/56/573104656.db2.gz PYJJITOHVATPKN-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN CC[C@H](C)/C=C(/C)[C@@H](O)CC 114639827 573104658 /nfs/dbraw/zinc/10/46/58/573104658.db2.gz MDYCHVGMFJCKQR-ISSFJBMQSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1c(Cl)ncnc1NC(C)(C)C 82565378 573104678 /nfs/dbraw/zinc/10/46/78/573104678.db2.gz NWGVAGCOCFJXSI-UHFFFAOYSA-N 0 0 199.685 2.649 10 0 AFAERN CC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C 85662248 573104680 /nfs/dbraw/zinc/10/46/80/573104680.db2.gz SOORFFQWTKCPDH-QXFUBDJGSA-N 0 0 154.253 2.648 10 0 AFAERN COc1cccc2c1[nH]c1ncccc12 165807284 573104772 /nfs/dbraw/zinc/10/47/72/573104772.db2.gz HDQXNSNMBZJQPB-UHFFFAOYSA-N 0 0 198.225 2.725 10 0 AFAERN CSCc1coc2ccc(N)cc12 257941388 573104690 /nfs/dbraw/zinc/10/46/90/573104690.db2.gz GELZNUPDERTPQL-UHFFFAOYSA-N 0 0 193.271 2.878 10 0 AFAERN C[C@H](O)[C@@H]1CCCCc2ccccc21 85658842 573104729 /nfs/dbraw/zinc/10/47/29/573104729.db2.gz JZQCAMBCXLPEEY-JQWIXIFHSA-N 0 0 190.286 2.877 10 0 AFAERN CC1(C)[C@@H](O)C[C@@H]1c1cccc(F)c1 88179281 573104738 /nfs/dbraw/zinc/10/47/38/573104738.db2.gz KSZPJFZURUQFNA-MNOVXSKESA-N 0 0 194.249 2.700 10 0 AFAERN CC1(C)C(=O)[C@@H]2Cc3ccccc3[C@H]21 88183398 573104774 /nfs/dbraw/zinc/10/47/74/573104774.db2.gz FLVLVNKQESSWKP-GHMZBOCLSA-N 0 0 186.254 2.551 10 0 AFAERN Clc1ccccc1Oc1ncc[nH]1 257941671 573104742 /nfs/dbraw/zinc/10/47/42/573104742.db2.gz VOYLEELRJPULTB-UHFFFAOYSA-N 0 0 194.621 2.855 10 0 AFAERN Cc1ccccc1CC(=O)c1ccc[nH]1 82564128 573104768 /nfs/dbraw/zinc/10/47/68/573104768.db2.gz NUPOFMIZUONCBO-UHFFFAOYSA-N 0 0 199.253 2.749 10 0 AFAERN CC[C@@H]1C[C@@H]2CCC[C@]21C(C)=O 238280406 573104784 /nfs/dbraw/zinc/10/47/84/573104784.db2.gz DGKRVZAXSWMFPG-OUAUKWLOSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)C(=O)[C@H]2Cc3ccccc3[C@@H]21 88183395 573104794 /nfs/dbraw/zinc/10/47/94/573104794.db2.gz FLVLVNKQESSWKP-QWRGUYRKSA-N 0 0 186.254 2.551 10 0 AFAERN CC[C@H]1C(=O)[C@H]2CCCCC[C@H]21 88183046 573104819 /nfs/dbraw/zinc/10/48/19/573104819.db2.gz ROPHAVTVBAOACC-UTLUCORTSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H](O)[C@H]1CCCCc2ccccc21 85658845 573104831 /nfs/dbraw/zinc/10/48/31/573104831.db2.gz JZQCAMBCXLPEEY-CMPLNLGQSA-N 0 0 190.286 2.877 10 0 AFAERN C[C@H]1C(=O)[C@H](C)C1c1ccc(F)cc1 88183271 573104861 /nfs/dbraw/zinc/10/48/61/573104861.db2.gz DVZCLQRBIKWTAX-HTQZYQBOSA-N 0 0 192.233 2.764 10 0 AFAERN CCCCNc1ncnc(Cl)c1C 82565586 573104863 /nfs/dbraw/zinc/10/48/63/573104863.db2.gz AAKIRSKFKLQUSI-UHFFFAOYSA-N 0 0 199.685 2.650 10 0 AFAERN CCC[C@@H]1OCc2cc(O)ccc21 238279503 573104864 /nfs/dbraw/zinc/10/48/64/573104864.db2.gz ABZGQFRCPBXVBS-NSHDSACASA-N 0 0 178.231 2.764 10 0 AFAERN CC(=O)[C@H]1CCC[C@H](C)CC1 85662270 573104881 /nfs/dbraw/zinc/10/48/81/573104881.db2.gz STNXVJGWYAFWNA-WPRPVWTQSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H](c1ccc(F)cc1)[C@H](C)O 85658801 573104891 /nfs/dbraw/zinc/10/48/91/573104891.db2.gz AREYIJGLFQCGDH-KWQFWETISA-N 0 0 182.238 2.700 10 0 AFAERN C[C@@H]1C(O)[C@@H](C)C1c1ccc(F)cc1 88184072 573105619 /nfs/dbraw/zinc/10/56/19/573105619.db2.gz IMIKEDTWLMPCGT-DVXAYSFTSA-N 0 0 194.249 2.556 10 0 AFAERN CC(=O)[C@@H]1CCC[C@@H](C)CC1 85662272 573105035 /nfs/dbraw/zinc/10/50/35/573105035.db2.gz STNXVJGWYAFWNA-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1ccc(C(=O)c2cc[nH]c2)c(C)c1 82564198 573105623 /nfs/dbraw/zinc/10/56/23/573105623.db2.gz HGRLMYKNDKJUNB-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN C[C@@H]1C(=O)c2sccc2[C@@H]1C 114643884 573105628 /nfs/dbraw/zinc/10/56/28/573105628.db2.gz KWGXHAKFXRZDCB-RITPCOANSA-N 0 0 166.245 2.684 10 0 AFAERN CCOc1ccc(O)c2c1CCCC2 238279548 573105132 /nfs/dbraw/zinc/10/51/32/573105132.db2.gz XQQBXUWQTPJGEG-UHFFFAOYSA-N 0 0 192.258 2.670 10 0 AFAERN CC[C@H]1C(=O)C[C@H]2CC=CC[C@H]21 238280411 573105154 /nfs/dbraw/zinc/10/51/54/573105154.db2.gz UCPXKWYCVMAEFL-OPRDCNLKSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)(C)C[C@]1(O)C=CCCC1 38220459 573105165 /nfs/dbraw/zinc/10/51/65/573105165.db2.gz SCVZRVNKGPSTOF-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)C[C@@]1(O)C=CCCC1 38220458 573105182 /nfs/dbraw/zinc/10/51/82/573105182.db2.gz SCVZRVNKGPSTOF-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@H]1C[C@@H]1c1cscc1N 238280350 573105206 /nfs/dbraw/zinc/10/52/06/573105206.db2.gz LUUNSNYJFIRDTB-RQJHMYQMSA-N 0 0 167.277 2.844 10 0 AFAERN O[C@@H](CC1CCCC1)c1ccc[nH]1 82564384 573105632 /nfs/dbraw/zinc/10/56/32/573105632.db2.gz HOEHNKYALDTWSJ-NSHDSACASA-N 0 0 179.263 2.628 10 0 AFAERN CC(=O)[C@@H](C)CCc1ccccc1 85662167 573105250 /nfs/dbraw/zinc/10/52/50/573105250.db2.gz RNQMTWRCPAGMEO-JTQLQIEISA-N 0 0 176.259 2.844 10 0 AFAERN CC[C@@H]1[C@@H](C)c2ccccc2[C@@H]1O 238279893 573105257 /nfs/dbraw/zinc/10/52/57/573105257.db2.gz QIJRAWPCBGJGCA-KBVBSXBZSA-N 0 0 176.259 2.863 10 0 AFAERN C[C@@H](F)Oc1ccc2c(c1)NCCC2 257941692 573105298 /nfs/dbraw/zinc/10/52/98/573105298.db2.gz HYRLFIQBCOLSDA-QMMMGPOBSA-N 0 0 195.237 2.739 10 0 AFAERN Cc1ccc(CC(=O)c2cc[nH]c2)cc1 82564218 573105380 /nfs/dbraw/zinc/10/53/80/573105380.db2.gz HUIQDUBSOJIPRC-UHFFFAOYSA-N 0 0 199.253 2.749 10 0 AFAERN CCSC(CO)=C1CCCC1 238279435 573105421 /nfs/dbraw/zinc/10/54/21/573105421.db2.gz UBJARUCCOROWHH-UHFFFAOYSA-N 0 0 172.293 2.560 10 0 AFAERN C[C@H]1C(=O)[C@H](C)C1c1ccccc1 88183265 573105538 /nfs/dbraw/zinc/10/55/38/573105538.db2.gz RCRZAYQYZJHAQS-RKDXNWHRSA-N 0 0 174.243 2.625 10 0 AFAERN CCNc1ncnc(Cl)c1C(C)C 82565546 573105543 /nfs/dbraw/zinc/10/55/43/573105543.db2.gz MTKGBDZAVXYFAJ-UHFFFAOYSA-N 0 0 199.685 2.685 10 0 AFAERN CC[C@@H](O)[C@H]1CCC(C)=C(C)C1 238280198 573105544 /nfs/dbraw/zinc/10/55/44/573105544.db2.gz NDCABZMEFQACIL-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN CCCc1ccc(C)c(N)c1C 238279844 573105573 /nfs/dbraw/zinc/10/55/73/573105573.db2.gz MXOMTOBAACMYRS-UHFFFAOYSA-N 0 0 163.264 2.838 10 0 AFAERN CC1(C)C(=O)[C@H]2CCCCC[C@H]21 88183312 573106177 /nfs/dbraw/zinc/10/61/77/573106177.db2.gz CGEZYCVEMAAUMD-DTWKUNHWSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)[C@H](O)C[C@@H]1c1ccccc1 88179195 573106192 /nfs/dbraw/zinc/10/61/92/573106192.db2.gz UZUANIOBIRRNEA-GHMZBOCLSA-N 0 0 176.259 2.561 10 0 AFAERN Cc1ccc(C)c(C(=O)c2cc[nH]c2)c1 82564250 573106209 /nfs/dbraw/zinc/10/62/09/573106209.db2.gz DWDWEIYMACGCHP-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN Cc1c(N)noc1C1CCC(C)CC1 123636861 573106222 /nfs/dbraw/zinc/10/62/22/573106222.db2.gz YFOFUQRRCRKHDT-UHFFFAOYSA-N 0 0 194.278 2.859 10 0 AFAERN C/C=C(C)/C(C)=C(/CC)CO 238280004 573106775 /nfs/dbraw/zinc/10/67/75/573106775.db2.gz PPSYCFDTNDAKQI-JVXHAKPFSA-N 0 0 154.253 2.671 10 0 AFAERN O[C@H](c1ccc[nH]1)C1CCCCC1 82564542 573106271 /nfs/dbraw/zinc/10/62/71/573106271.db2.gz FFSOQCFAUREGGX-NSHDSACASA-N 0 0 179.263 2.628 10 0 AFAERN FC(F)(F)c1cc(C2CCC2)on1 259330472 573106405 /nfs/dbraw/zinc/10/64/05/573106405.db2.gz OQJNAZNZFYLBHM-UHFFFAOYSA-N 0 0 191.152 2.961 10 0 AFAERN CC(C)=C(F)C(=O)O[C@H](C)C1CC1 308264129 573106420 /nfs/dbraw/zinc/10/64/20/573106420.db2.gz OZOWIDRBXMHNAC-SSDOTTSWSA-N 0 0 186.226 2.592 10 0 AFAERN C[C@H](F)Oc1ccc2c(c1)NCCC2 257941690 573106424 /nfs/dbraw/zinc/10/64/24/573106424.db2.gz HYRLFIQBCOLSDA-MRVPVSSYSA-N 0 0 195.237 2.739 10 0 AFAERN Cc1ccc(CC(=O)CC(C)C)nc1 85668287 573106449 /nfs/dbraw/zinc/10/64/49/573106449.db2.gz FFMGRYHUKHVXRV-UHFFFAOYSA-N 0 0 191.274 2.548 10 0 AFAERN CCC(CC)CC1=C[C@H](O)CC1 128703177 573106472 /nfs/dbraw/zinc/10/64/72/573106472.db2.gz DZWDMRBJXDKEQD-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1ccc(C(=O)c2ccc[nH]2)s1 82564085 573106529 /nfs/dbraw/zinc/10/65/29/573106529.db2.gz LZDKBIIPSWMLNQ-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN CC(C)[C@@H](C)OC(=O)[C@H]1CC1(C)C 308263909 573106549 /nfs/dbraw/zinc/10/65/49/573106549.db2.gz OTFXNVFYLJBFOM-RKDXNWHRSA-N 0 0 184.279 2.620 10 0 AFAERN CCc1ccc(N)cc1SC 238280258 573106551 /nfs/dbraw/zinc/10/65/51/573106551.db2.gz SKMDLXYQYKANGG-UHFFFAOYSA-N 0 0 167.277 2.553 10 0 AFAERN Cc1ccc(C(=O)c2ccc[nH]2)cc1C 82564092 573106579 /nfs/dbraw/zinc/10/65/79/573106579.db2.gz XFJCZFBVPMZYQK-UHFFFAOYSA-N 0 0 199.253 2.863 10 0 AFAERN Cc1ccc([C@H](C)N(C)CCF)o1 308262996 573106648 /nfs/dbraw/zinc/10/66/48/573106648.db2.gz OFDWYNVVRSUIRV-VIFPVBQESA-N 0 0 185.242 2.550 10 0 AFAERN C/C=C\C[C@H](C)C(=O)CC 211648954 573106730 /nfs/dbraw/zinc/10/67/30/573106730.db2.gz QVTFXABHWRPLJC-HORMHSFOSA-N 0 0 140.226 2.568 10 0 AFAERN CCCNc1ncnc(Cl)c1CC 82565491 573106657 /nfs/dbraw/zinc/10/66/57/573106657.db2.gz UOWKUTIOGIOSFQ-UHFFFAOYSA-N 0 0 199.685 2.514 10 0 AFAERN CC(C)=C[C@H](C)OC(=O)CC1CC1 308263528 573106742 /nfs/dbraw/zinc/10/67/42/573106742.db2.gz OONYFYDECACWIU-VIFPVBQESA-N 0 0 182.263 2.684 10 0 AFAERN C[C@@H](O)C[C@@H]1CCCc2ccccc21 82583121 573107111 /nfs/dbraw/zinc/10/71/11/573107111.db2.gz MCNMMUNSZSMQKM-PWSUYJOCSA-N 0 0 190.286 2.877 10 0 AFAERN CCOc1ccc2ccoc2c1 114665041 573107158 /nfs/dbraw/zinc/10/71/58/573107158.db2.gz MKGRXEPLPDJFLH-UHFFFAOYSA-N 0 0 162.188 2.832 10 0 AFAERN Cc1nc(C)c(CC2CC2)c(Cl)n1 114715190 573108577 /nfs/dbraw/zinc/10/85/77/573108577.db2.gz IRJRSBJYCOHCJR-UHFFFAOYSA-N 0 0 196.681 2.699 10 0 AFAERN C[C@@H](O)C[C@H]1CCCc2ccccc21 82583123 573107446 /nfs/dbraw/zinc/10/74/46/573107446.db2.gz MCNMMUNSZSMQKM-ZYHUDNBSSA-N 0 0 190.286 2.877 10 0 AFAERN C[C@H](C(=O)C(C)(C)C)c1ccncc1 85665712 573107577 /nfs/dbraw/zinc/10/75/77/573107577.db2.gz KYAHVOOWGJICPR-VIFPVBQESA-N 0 0 191.274 2.800 10 0 AFAERN C[C@@H](c1ccncc1)[C@H](O)C(C)(C)C 85669678 573107591 /nfs/dbraw/zinc/10/75/91/573107591.db2.gz OPQIGBYRHGVGTG-ONGXEEELSA-N 0 0 193.290 2.592 10 0 AFAERN CC[C@@H](O)[C@H]1CC=C(C)C[C@@H]1C 238280089 573108821 /nfs/dbraw/zinc/10/88/21/573108821.db2.gz DFJZNCYTFCSIHK-GARJFASQSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H](c1ccncc1)[C@@H](O)C(C)(C)C 85669684 573107736 /nfs/dbraw/zinc/10/77/36/573107736.db2.gz OPQIGBYRHGVGTG-GXSJLCMTSA-N 0 0 193.290 2.592 10 0 AFAERN C[C@@H](C(=O)C1CCC1)c1ccncc1 85665696 573107747 /nfs/dbraw/zinc/10/77/47/573107747.db2.gz QEZMAGUMIAUNNJ-SECBINFHSA-N 0 0 189.258 2.554 10 0 AFAERN Cc1oc(N)nc1CC1CCCCC1 258528942 573107750 /nfs/dbraw/zinc/10/77/50/573107750.db2.gz HCEZPNRSWQQKTA-UHFFFAOYSA-N 0 0 194.278 2.688 10 0 AFAERN C[C@H](O)/C=C/c1ccccc1Cl 77270315 573107757 /nfs/dbraw/zinc/10/77/57/573107757.db2.gz GAIQTSQMEVWQPU-CZEYKFRCSA-N 0 0 182.650 2.734 10 0 AFAERN Cc1cccc(N)c1C(C)C 104642936 573107766 /nfs/dbraw/zinc/10/77/66/573107766.db2.gz WVSNDCPLQOOWTB-UHFFFAOYSA-N 0 0 149.237 2.701 10 0 AFAERN CC(=O)[C@H](C)c1ccc(C)cc1C 85662533 573107839 /nfs/dbraw/zinc/10/78/39/573107839.db2.gz CKVBWMHIDBTDTJ-JTQLQIEISA-N 0 0 176.259 2.996 10 0 AFAERN Fc1ccc(Oc2cnoc2)cc1 258528907 573107841 /nfs/dbraw/zinc/10/78/41/573107841.db2.gz NMYFFAUULADZRQ-UHFFFAOYSA-N 0 0 179.150 2.606 10 0 AFAERN Cc1nc([C@H](O)[C@@H](C)CC(C)C)co1 308496226 573107851 /nfs/dbraw/zinc/10/78/51/573107851.db2.gz SWDRMGHNYSTVIC-GZMMTYOYSA-N 0 0 197.278 2.699 10 0 AFAERN C[C@H](C(=O)C1CCC1)c1ccccn1 85666606 573107900 /nfs/dbraw/zinc/10/79/00/573107900.db2.gz ACRYLDRNGCTZMK-VIFPVBQESA-N 0 0 189.258 2.554 10 0 AFAERN CC[C@H]1C(=O)c2ccccc2N[C@@H]1C 238279851 573107997 /nfs/dbraw/zinc/10/79/97/573107997.db2.gz OZGNBPYJUFRQOY-RKDXNWHRSA-N 0 0 189.258 2.710 10 0 AFAERN C[C@H](c1ccccn1)[C@@H](O)C(C)(C)C 85670869 573108018 /nfs/dbraw/zinc/10/80/18/573108018.db2.gz ZLRJVOZTJZRUTA-MWLCHTKSSA-N 0 0 193.290 2.592 10 0 AFAERN CC[C@H](C)c1ccc(N)cc1F 238279886 573108041 /nfs/dbraw/zinc/10/80/41/573108041.db2.gz STNKWFXCUNCZRH-ZETCQYMHSA-N 0 0 167.227 2.921 10 0 AFAERN CCCc1ccc(C)c(NC(C)=O)c1 238279870 573108217 /nfs/dbraw/zinc/10/82/17/573108217.db2.gz CEMADTMGDCLHMW-UHFFFAOYSA-N 0 0 191.274 2.906 10 0 AFAERN C[C@H]1C[C@H](C)C(=O)C(C)(C)C1 141974349 573108092 /nfs/dbraw/zinc/10/80/92/573108092.db2.gz OHQYKAGPVCTGGR-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)[C@H](c1ccccc1)C1CC1 85662528 573108104 /nfs/dbraw/zinc/10/81/04/573108104.db2.gz QODIJSZJQMJVQI-GFCCVEGCSA-N 0 0 174.243 2.769 10 0 AFAERN CC[C@H]1CCc2ncnc(Cl)c2C1 114715556 573108131 /nfs/dbraw/zinc/10/81/31/573108131.db2.gz AJNASJJKWGHGCU-ZETCQYMHSA-N 0 0 196.681 2.645 10 0 AFAERN CC(C)C[C@H](C)C(=O)C(C)(C)[NH+](C)C 308496211 573108244 /nfs/dbraw/zinc/10/82/44/573108244.db2.gz SVKXTCFREWUVAK-JTQLQIEISA-N 0 0 199.338 2.578 10 0 AFAERN CC(=O)[C@@H]1CC[C@H](C)C[C@H]1C 85662389 573108301 /nfs/dbraw/zinc/10/83/01/573108301.db2.gz KEINHZMVNYVTFN-QXFUBDJGSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H](O)C[C@H]1CCCc2ccccc21 82583122 573108318 /nfs/dbraw/zinc/10/83/18/573108318.db2.gz MCNMMUNSZSMQKM-CMPLNLGQSA-N 0 0 190.286 2.877 10 0 AFAERN CC(=O)[C@@H](C)c1ccc(F)cc1F 85662420 573108445 /nfs/dbraw/zinc/10/84/45/573108445.db2.gz FISREVDJDJXINA-ZCFIWIBFSA-N 0 0 184.185 2.657 10 0 AFAERN CC(=O)[C@@H](C)c1ccc(F)c(F)c1 85662341 573108517 /nfs/dbraw/zinc/10/85/17/573108517.db2.gz NBLOACLGSIJFGF-ZCFIWIBFSA-N 0 0 184.185 2.657 10 0 AFAERN CC[C@@H]1C[C@@H](CO)C[Si](C)(C)C1 238279711 573108523 /nfs/dbraw/zinc/10/85/23/573108523.db2.gz BZSYILOVMXYMOO-ZJUUUORDSA-N 0 0 186.371 2.733 10 0 AFAERN CC(=O)[C@H](C)c1ccccc1C 85662497 573108554 /nfs/dbraw/zinc/10/85/54/573108554.db2.gz HMTGPAKPXBNUKR-VIFPVBQESA-N 0 0 162.232 2.688 10 0 AFAERN Cc1ccc([C@@H](C)N(C)CCF)o1 308262995 573108567 /nfs/dbraw/zinc/10/85/67/573108567.db2.gz OFDWYNVVRSUIRV-SECBINFHSA-N 0 0 185.242 2.550 10 0 AFAERN CC(=O)[C@H](C)c1c(F)cccc1F 85662438 573108600 /nfs/dbraw/zinc/10/86/00/573108600.db2.gz OGXKKYJXCGDGHH-LURJTMIESA-N 0 0 184.185 2.657 10 0 AFAERN CCO[C@H](C)/C(Cl)=C/Cl 238279872 573108610 /nfs/dbraw/zinc/10/86/10/573108610.db2.gz CVICCUNEXQYBOB-WEWOIACBSA-N 0 0 169.051 2.730 10 0 AFAERN CC(C)C[C@@H](C)C(=O)C(C)(C)[NH+](C)C 308496212 573108638 /nfs/dbraw/zinc/10/86/38/573108638.db2.gz SVKXTCFREWUVAK-SNVBAGLBSA-N 0 0 199.338 2.578 10 0 AFAERN C[C@H](C(=O)C(C)(C)C)c1ccccn1 85666627 573108814 /nfs/dbraw/zinc/10/88/14/573108814.db2.gz GICSSGPAZLCOBK-VIFPVBQESA-N 0 0 191.274 2.800 10 0 AFAERN CC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 85662335 573108824 /nfs/dbraw/zinc/10/88/24/573108824.db2.gz DVCWUZOIQAFFFV-YUMQZZPRSA-N 0 0 194.196 2.944 10 0 AFAERN CC(=O)[C@@H](c1ccccc1)C1CC1 85662527 573108844 /nfs/dbraw/zinc/10/88/44/573108844.db2.gz QODIJSZJQMJVQI-LBPRGKRZSA-N 0 0 174.243 2.769 10 0 AFAERN CC1CCC(c2cc(N)no2)CC1 123637113 573108851 /nfs/dbraw/zinc/10/88/51/573108851.db2.gz UAJDQBXYMDZUDK-UHFFFAOYSA-N 0 0 180.251 2.551 10 0 AFAERN CC(=O)[C@@H](C)c1cc(F)ccc1F 85662345 573108872 /nfs/dbraw/zinc/10/88/72/573108872.db2.gz JBPXYVPSQSRQNB-ZCFIWIBFSA-N 0 0 184.185 2.657 10 0 AFAERN CC[C@@H]1C[C@@H]1c1cccc(O)c1 238280301 573108944 /nfs/dbraw/zinc/10/89/44/573108944.db2.gz BRNFSYRGAFFAIM-KCJUWKMLSA-N 0 0 162.232 2.906 10 0 AFAERN Cc1ncnc(Cl)c1CC(C)C 114717707 573108956 /nfs/dbraw/zinc/10/89/56/573108956.db2.gz PUNONYOOJCCUEL-UHFFFAOYSA-N 0 0 184.670 2.637 10 0 AFAERN C[C@@H]1C[C@@H](C)C(=O)C(C)(C)C1 141974550 573108979 /nfs/dbraw/zinc/10/89/79/573108979.db2.gz OHQYKAGPVCTGGR-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@@H]1CC1(C)C 308263908 573108990 /nfs/dbraw/zinc/10/89/90/573108990.db2.gz OTFXNVFYLJBFOM-IUCAKERBSA-N 0 0 184.279 2.620 10 0 AFAERN CC[C@@H](O)[C@H]1CC2CCC1CC2 238280056 573109089 /nfs/dbraw/zinc/10/90/89/573109089.db2.gz WSYQSOUBDGDSNV-WFBLGPOFSA-N 0 0 168.280 2.584 10 0 AFAERN C/C=C\C[C@@H](C)C(=O)CC 211649028 573109126 /nfs/dbraw/zinc/10/91/26/573109126.db2.gz QVTFXABHWRPLJC-RZAAKKIOSA-N 0 0 140.226 2.568 10 0 AFAERN Cc1ccc2c3c1CCC[C@@H]3CN2 197983665 573109129 /nfs/dbraw/zinc/10/91/29/573109129.db2.gz HBEZIHLKLRTTIO-SECBINFHSA-N 0 0 173.259 2.840 10 0 AFAERN CC(C)[C@@H](C)OC(=O)[C@@H]1CC1(C)C 308263903 573109148 /nfs/dbraw/zinc/10/91/48/573109148.db2.gz OTFXNVFYLJBFOM-BDAKNGLRSA-N 0 0 184.279 2.620 10 0 AFAERN CC(C)OCc1c(N)cccc1Cl 82582700 573109179 /nfs/dbraw/zinc/10/91/79/573109179.db2.gz VURGDFVYPOKFKF-UHFFFAOYSA-N 0 0 199.681 2.847 10 0 AFAERN Cc1nc([C@@H](O)[C@@H](C)CC(C)C)co1 308496228 573109227 /nfs/dbraw/zinc/10/92/27/573109227.db2.gz SWDRMGHNYSTVIC-KWQFWETISA-N 0 0 197.278 2.699 10 0 AFAERN C[C@@H](c1ccccn1)[C@@H](O)C(C)(C)C 85670866 573109331 /nfs/dbraw/zinc/10/93/31/573109331.db2.gz ZLRJVOZTJZRUTA-GXSJLCMTSA-N 0 0 193.290 2.592 10 0 AFAERN C[C@@H](C(=O)C1CCC1)c1ccccn1 85666608 573109344 /nfs/dbraw/zinc/10/93/44/573109344.db2.gz ACRYLDRNGCTZMK-SECBINFHSA-N 0 0 189.258 2.554 10 0 AFAERN CC[C@@H]1C[C@@H]1c1sccc1N 238280364 573109345 /nfs/dbraw/zinc/10/93/45/573109345.db2.gz AIABBVWCTKNQQC-RQJHMYQMSA-N 0 0 167.277 2.844 10 0 AFAERN CC[C@@H]1C[C@@H]1c1ccccc1N 238280316 573109363 /nfs/dbraw/zinc/10/93/63/573109363.db2.gz DJQUYFFDZIVACA-SCZZXKLOSA-N 0 0 161.248 2.782 10 0 AFAERN CC(=O)[C@@H]1CC[C@@H](C)C[C@H]1C 85662387 573109395 /nfs/dbraw/zinc/10/93/95/573109395.db2.gz KEINHZMVNYVTFN-NQMVMOMDSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)[C@@H]1CCC[C@H](C)[C@H]1C 85662361 573109734 /nfs/dbraw/zinc/10/97/34/573109734.db2.gz FVPSRTDXWINHAQ-QXFUBDJGSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H](c1ccncc1)[C@@H](O)C(C)(C)C 85669687 573109761 /nfs/dbraw/zinc/10/97/61/573109761.db2.gz OPQIGBYRHGVGTG-MWLCHTKSSA-N 0 0 193.290 2.592 10 0 AFAERN CC(C)=C[C@@H](C)OC(=O)CC1CC1 308263527 573109883 /nfs/dbraw/zinc/10/98/83/573109883.db2.gz OONYFYDECACWIU-SECBINFHSA-N 0 0 182.263 2.684 10 0 AFAERN c1coc(-c2ccnc3[nH]ccc23)c1 114719930 573109980 /nfs/dbraw/zinc/10/99/80/573109980.db2.gz KADZZJPLGYTYEX-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Cc1c(Cl)cccc1/C=C/CO 77270345 573110031 /nfs/dbraw/zinc/11/00/31/573110031.db2.gz JTQKKWXKDAMZQS-HWKANZROSA-N 0 0 182.650 2.654 10 0 AFAERN CC1(C)CC=C(C(=O)NC(C)(C)C)C1 143962796 573110182 /nfs/dbraw/zinc/11/01/82/573110182.db2.gz FIKONQBDQVEZBZ-UHFFFAOYSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)C/C(=C/C1CC1)[N+](=O)[O-] 211649628 573110184 /nfs/dbraw/zinc/11/01/84/573110184.db2.gz QWKLAQLDXKTDII-TWGQIWQCSA-N 0 0 169.224 2.603 10 0 AFAERN CCc1ccc(F)c(CC)c1 141992993 573110203 /nfs/dbraw/zinc/11/02/03/573110203.db2.gz YVBAGLADZUQROQ-UHFFFAOYSA-N 0 0 152.212 2.951 10 0 AFAERN CC(=O)[C@@H](C)c1cc(C)ccc1C 85662312 573110872 /nfs/dbraw/zinc/11/08/72/573110872.db2.gz HIUYVCMYABAGES-SNVBAGLBSA-N 0 0 176.259 2.996 10 0 AFAERN c1cc2cc(-c3ccoc3)cnc2[nH]1 114718260 573110348 /nfs/dbraw/zinc/11/03/48/573110348.db2.gz BRMUKGWQMIZZDF-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Cc1nc([C@H](O)[C@H](C)CC(C)C)co1 308496229 573110539 /nfs/dbraw/zinc/11/05/39/573110539.db2.gz SWDRMGHNYSTVIC-LDYMZIIASA-N 0 0 197.278 2.699 10 0 AFAERN CC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 85662340 573110546 /nfs/dbraw/zinc/11/05/46/573110546.db2.gz DVCWUZOIQAFFFV-JGVFFNPUSA-N 0 0 194.196 2.944 10 0 AFAERN CC(C)Oc1cccc2[nH]ccc12 88190027 573110562 /nfs/dbraw/zinc/11/05/62/573110562.db2.gz UHMAVDPQZZWJEE-UHFFFAOYSA-N 0 0 175.231 2.955 10 0 AFAERN C=C/C=C/[C@@H](O)c1ccc(C)cc1 143971269 573110630 /nfs/dbraw/zinc/11/06/30/573110630.db2.gz HJUHHDMBIPXJMQ-ZYOFXKKJSA-N 0 0 174.243 2.771 10 0 AFAERN Cc1cc(O)cc2ccsc12 141980037 573110662 /nfs/dbraw/zinc/11/06/62/573110662.db2.gz NRPWFAWHPIUMOL-UHFFFAOYSA-N 0 0 164.229 2.915 10 0 AFAERN COc1ccc(N)c(C)c1C(C)C 142004953 573110693 /nfs/dbraw/zinc/11/06/93/573110693.db2.gz SZHFJNBAVIORIN-UHFFFAOYSA-N 0 0 179.263 2.709 10 0 AFAERN CCc1ccc2[nH]c(CC)nc2c1 114736627 573110767 /nfs/dbraw/zinc/11/07/67/573110767.db2.gz VMDKTZZAWRSBOY-UHFFFAOYSA-N 0 0 174.247 2.688 10 0 AFAERN CCSCc1ccc(OC)c(O)c1 258232569 573110836 /nfs/dbraw/zinc/11/08/36/573110836.db2.gz YREORPLPUSAMMK-UHFFFAOYSA-N 0 0 198.287 2.654 10 0 AFAERN C[C@H](C(=O)C1CCC1)c1ccncc1 85665694 573110865 /nfs/dbraw/zinc/11/08/65/573110865.db2.gz QEZMAGUMIAUNNJ-VIFPVBQESA-N 0 0 189.258 2.554 10 0 AFAERN COc1cc(C)cc2[nH]c(Cl)nc12 143963884 573112361 /nfs/dbraw/zinc/11/23/61/573112361.db2.gz QXJXXARNVJVUGW-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN Cc1nc([C@@H](O)[C@H](C)CC(C)C)co1 308496227 573111367 /nfs/dbraw/zinc/11/13/67/573111367.db2.gz SWDRMGHNYSTVIC-KCJUWKMLSA-N 0 0 197.278 2.699 10 0 AFAERN Cc1ccc2c3c1CCC[C@H]3CN2 197983669 573111418 /nfs/dbraw/zinc/11/14/18/573111418.db2.gz HBEZIHLKLRTTIO-VIFPVBQESA-N 0 0 173.259 2.840 10 0 AFAERN CCc1ccc(OC)c2sncc12 238286343 573111458 /nfs/dbraw/zinc/11/14/58/573111458.db2.gz MTLCVDONUNNWMP-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN CC(C)=C(F)C(=O)O[C@@H](C)C1CC1 308264131 573111491 /nfs/dbraw/zinc/11/14/91/573111491.db2.gz OZOWIDRBXMHNAC-ZETCQYMHSA-N 0 0 186.226 2.592 10 0 AFAERN C[C@H](O)/C=C/c1cccc(Cl)c1 77270328 573111513 /nfs/dbraw/zinc/11/15/13/573111513.db2.gz VHXNUFWCWSTIFY-GJIOHYHPSA-N 0 0 182.650 2.734 10 0 AFAERN C[C@@H](C(=O)C(C)(C)C)c1ccncc1 85665714 573111604 /nfs/dbraw/zinc/11/16/04/573111604.db2.gz KYAHVOOWGJICPR-SECBINFHSA-N 0 0 191.274 2.800 10 0 AFAERN CCCOc1cccc2cc[nH]c12 114722665 573112127 /nfs/dbraw/zinc/11/21/27/573112127.db2.gz CDFNHOSTJXHPGV-UHFFFAOYSA-N 0 0 175.231 2.957 10 0 AFAERN CC[C@H](C)C(=O)[C@H](C)c1ccccn1 85666622 573111582 /nfs/dbraw/zinc/11/15/82/573111582.db2.gz BPMRHCJUHFFJKB-VHSXEESVSA-N 0 0 191.274 2.800 10 0 AFAERN CC(=O)[C@@H](C)c1ccc(C)cc1C 85662534 573111594 /nfs/dbraw/zinc/11/15/94/573111594.db2.gz CKVBWMHIDBTDTJ-SNVBAGLBSA-N 0 0 176.259 2.996 10 0 AFAERN C[C@@H](O)Cc1csc2ccccc12 82579835 573111623 /nfs/dbraw/zinc/11/16/23/573111623.db2.gz OPAGHXBYDHQRAZ-MRVPVSSYSA-N 0 0 192.283 2.825 10 0 AFAERN CCOc1ccc2c(c1C)C(=O)CC2 238286503 573111641 /nfs/dbraw/zinc/11/16/41/573111641.db2.gz AHKNRJOELQUZGE-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN CC[C@H]1C=CC=C[C@H](CC)C1=O 238285707 573111722 /nfs/dbraw/zinc/11/17/22/573111722.db2.gz JQKLEDXTLHZQEM-UWVGGRQHSA-N 0 0 164.248 2.734 10 0 AFAERN CC(C)(O)c1cc2ccoc2cc1F 257953840 573111779 /nfs/dbraw/zinc/11/17/79/573111779.db2.gz BDAQWZNFOYWWJO-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN CC(=O)[C@@H](C)c1ccccc1C 85662500 573111784 /nfs/dbraw/zinc/11/17/84/573111784.db2.gz HMTGPAKPXBNUKR-SECBINFHSA-N 0 0 162.232 2.688 10 0 AFAERN CC(=O)[C@H](C)c1ccc(F)cc1F 85662423 573111827 /nfs/dbraw/zinc/11/18/27/573111827.db2.gz FISREVDJDJXINA-LURJTMIESA-N 0 0 184.185 2.657 10 0 AFAERN CC(=O)[C@@H]1CCC[C@@H](C)[C@H]1C 85662360 573111855 /nfs/dbraw/zinc/11/18/55/573111855.db2.gz FVPSRTDXWINHAQ-NQMVMOMDSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H]1C(C(C)(C)O)=CC[C@H]1C 238286901 573111884 /nfs/dbraw/zinc/11/18/84/573111884.db2.gz AORZPUMYQIXLSZ-BDAKNGLRSA-N 0 0 168.280 2.750 10 0 AFAERN CCOC(=O)N[C@H]1C[C@@H](C)CC[C@@H]1C 238286546 573112104 /nfs/dbraw/zinc/11/21/04/573112104.db2.gz QHDRMRUOLQHZLX-GUBZILKMSA-N 0 0 199.294 2.557 10 0 AFAERN CCCc1ccc2c(c1)C(=O)CC2 142017701 573112162 /nfs/dbraw/zinc/11/21/62/573112162.db2.gz SPPQKELDTDXOSD-UHFFFAOYSA-N 0 0 174.243 2.768 10 0 AFAERN CC(C)CC(F)(F)F 88244995 573112172 /nfs/dbraw/zinc/11/21/72/573112172.db2.gz CONTVCYXDSFGMN-UHFFFAOYSA-N 0 0 126.121 2.595 10 0 AFAERN C=C/C=C/[C@H](O)c1ccc(C)cc1 143971060 573112174 /nfs/dbraw/zinc/11/21/74/573112174.db2.gz HJUHHDMBIPXJMQ-ITKZLYELSA-N 0 0 174.243 2.771 10 0 AFAERN CC[C@H](C)OC1=C(C)C(C)(C)C[C@H]1O 238285753 573112226 /nfs/dbraw/zinc/11/22/26/573112226.db2.gz TZNPEAWPCYDLKT-WCBMZHEXSA-N 0 0 198.306 2.866 10 0 AFAERN CCc1ccc(OC)c2cnsc12 238286251 573112232 /nfs/dbraw/zinc/11/22/32/573112232.db2.gz ARDACBAEYRYMAE-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN CC(=O)[C@H](C)c1ccc(C)s1 85662430 573112250 /nfs/dbraw/zinc/11/22/50/573112250.db2.gz IYSNCNUCIRMQHZ-ZETCQYMHSA-N 0 0 168.261 2.749 10 0 AFAERN CC[C@@H]1c2ccc(N)cc2NC[C@H]1C 238287014 573112296 /nfs/dbraw/zinc/11/22/96/573112296.db2.gz AVGBHJKERQHWAM-SCZZXKLOSA-N 0 0 190.290 2.824 10 0 AFAERN CC[C@H]1C=CCN1C(=O)OC(C)(C)C 238285847 573112305 /nfs/dbraw/zinc/11/23/05/573112305.db2.gz GSTISUDTIQEWBE-VIFPVBQESA-N 0 0 197.278 2.572 10 0 AFAERN CO[C@@H]1CCCc2nc(Cl)ccc21 114736895 573112743 /nfs/dbraw/zinc/11/27/43/573112743.db2.gz PFCPSOHOCGBDTM-SECBINFHSA-N 0 0 197.665 2.759 10 0 AFAERN CCc1c(C)[nH]c(C(C)=O)c1CC 238286803 573112814 /nfs/dbraw/zinc/11/28/14/573112814.db2.gz IYUSOMDLTMWXLH-UHFFFAOYSA-N 0 0 179.263 2.651 10 0 AFAERN c1cnc2[nH]cc(-c3ccoc3)c2c1 114719696 573112922 /nfs/dbraw/zinc/11/29/22/573112922.db2.gz CLLUHWZRBLOOBS-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Cc1ccc(/C=C/C=C/CO)cc1 143972082 573113013 /nfs/dbraw/zinc/11/30/13/573113013.db2.gz FQDSJLISYFCXLK-ZUVMSYQZSA-N 0 0 174.243 2.557 10 0 AFAERN CC[C@@H](O)c1cc2ccccc2cn1 238285578 573113043 /nfs/dbraw/zinc/11/30/43/573113043.db2.gz PUMUDHMWOHUZOR-GFCCVEGCSA-N 0 0 187.242 2.678 10 0 AFAERN CC[C@H]1C=CC=C[C@@H](CC)C1=O 238285698 573113210 /nfs/dbraw/zinc/11/32/10/573113210.db2.gz JQKLEDXTLHZQEM-AOOOYVTPSA-N 0 0 164.248 2.734 10 0 AFAERN CCc1ccc(-c2cc(CC)on2)[nH]1 238285683 573113275 /nfs/dbraw/zinc/11/32/75/573113275.db2.gz ATZBFZNCQSCSRR-UHFFFAOYSA-N 0 0 190.246 2.795 10 0 AFAERN CCOC(=O)[C@H]1C2(CCCC2)C12CC2 225091967 573113425 /nfs/dbraw/zinc/11/34/25/573113425.db2.gz HSESCSCTHVBVLU-VIFPVBQESA-N 0 0 194.274 2.520 10 0 AFAERN CCCc1ccccc1[C@@H](C)O 114743986 573113536 /nfs/dbraw/zinc/11/35/36/573113536.db2.gz YRPHLVFPSCJFEX-SECBINFHSA-N 0 0 164.248 2.692 10 0 AFAERN CC[C@@H]1NC(=O)OC12CCCCCC2 238285677 573113977 /nfs/dbraw/zinc/11/39/77/573113977.db2.gz WVXWUIJEVAAWBD-VIFPVBQESA-N 0 0 197.278 2.598 10 0 AFAERN C[C@H](F)CCOc1cccc(F)c1 308261532 573114007 /nfs/dbraw/zinc/11/40/07/573114007.db2.gz NPWWNDCXEGPOQZ-QMMMGPOBSA-N 0 0 186.201 2.953 10 0 AFAERN Nc1ccccc1-c1cscc1N 258232670 573114078 /nfs/dbraw/zinc/11/40/78/573114078.db2.gz YUCDAUIWFNKZFH-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CCc1csc(CCCC(C)=O)n1 259329464 573114173 /nfs/dbraw/zinc/11/41/73/573114173.db2.gz QDIMQJLMVIEJBK-UHFFFAOYSA-N 0 0 197.303 2.617 10 0 AFAERN CC(C)=CC(=O)O[C@H](C)C=C(C)C 308261937 573114188 /nfs/dbraw/zinc/11/41/88/573114188.db2.gz NSFWHWJOVDNRSE-SNVBAGLBSA-N 0 0 182.263 2.851 10 0 AFAERN CCSCc1ccc(C)cc1O 238286651 573114263 /nfs/dbraw/zinc/11/42/63/573114263.db2.gz YZYLSZOFAMJQAG-UHFFFAOYSA-N 0 0 182.288 2.954 10 0 AFAERN CCOc1ccc2c(c1C)CCC2=O 238286352 573114392 /nfs/dbraw/zinc/11/43/92/573114392.db2.gz KXRPJMGOWJJOHW-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN CN(C1CCCCC1)C(F)(F)F 142081066 573114411 /nfs/dbraw/zinc/11/44/11/573114411.db2.gz SLQHXGHILJKNTO-UHFFFAOYSA-N 0 0 181.201 2.771 10 0 AFAERN NSc1ccc2c(c1)CCCC2 259333334 573114540 /nfs/dbraw/zinc/11/45/40/573114540.db2.gz XDIQIMNVOGPBPO-UHFFFAOYSA-N 0 0 179.288 2.531 10 0 AFAERN CSCc1cccc(Cl)n1 85680717 573114571 /nfs/dbraw/zinc/11/45/71/573114571.db2.gz DVURZFZRVQWREA-UHFFFAOYSA-N 0 0 173.668 2.598 10 0 AFAERN C[C@@H](C1CC1)[C@H](CCC(C)(C)C)NN 131922566 573114613 /nfs/dbraw/zinc/11/46/13/573114613.db2.gz ZXARSKCXNNZSRO-ONGXEEELSA-N 0 0 198.354 2.691 10 0 AFAERN CCCCC(=O)C1(OC)CCCC1 128740169 573114640 /nfs/dbraw/zinc/11/46/40/573114640.db2.gz NPPYVROOKJZRBQ-UHFFFAOYSA-N 0 0 184.279 2.705 10 0 AFAERN CSCC1(c2ccc(O)cc2)CC1 258233268 573114651 /nfs/dbraw/zinc/11/46/51/573114651.db2.gz ZQEUWLHTCWSIRB-UHFFFAOYSA-N 0 0 194.299 2.787 10 0 AFAERN CC[C@@H](O)c1cc2ccccc2n1C 238285592 573114668 /nfs/dbraw/zinc/11/46/68/573114668.db2.gz KLLMBHYQYJTBAW-GFCCVEGCSA-N 0 0 189.258 2.622 10 0 AFAERN CC(=O)Nc1cc(C)cc(C)c1Cl 142049079 573114734 /nfs/dbraw/zinc/11/47/34/573114734.db2.gz NWOBGSNEMZQNDX-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN CC(C)=CCC[C@@H](C)N1CC(F)C1 308261858 573114820 /nfs/dbraw/zinc/11/48/20/573114820.db2.gz NQSIVQRWMMTEPZ-SNVBAGLBSA-N 0 0 185.286 2.775 10 0 AFAERN CCc1ccc(COC)c(CC)c1 78745503 573115262 /nfs/dbraw/zinc/11/52/62/573115262.db2.gz CALBZDSKKOCPEG-UHFFFAOYSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)c1coc2cnc(C=O)cc12 114760717 573115302 /nfs/dbraw/zinc/11/53/02/573115302.db2.gz WZTDZICFTCHGNY-UHFFFAOYSA-N 0 0 189.214 2.764 10 0 AFAERN COc1cc(C)c(C)cc1SC=O 259331252 573115582 /nfs/dbraw/zinc/11/55/82/573115582.db2.gz XBJOSZOUQYCBLF-UHFFFAOYSA-N 0 0 196.271 2.594 10 0 AFAERN COCc1cc2cccc(Cl)c2[nH]1 257944903 573115721 /nfs/dbraw/zinc/11/57/21/573115721.db2.gz WBBGMOSSVLNXBP-UHFFFAOYSA-N 0 0 195.649 2.968 10 0 AFAERN Cc1c[nH]c2cc(F)cc(F)c12 144025872 573115770 /nfs/dbraw/zinc/11/57/70/573115770.db2.gz ZBIXDMIRRXPJCB-UHFFFAOYSA-N 0 0 167.158 2.755 10 0 AFAERN Clc1ccc2c(c1)[C@@H]1C[C@@H]1CN2 257944809 573115854 /nfs/dbraw/zinc/11/58/54/573115854.db2.gz VOORQMRSWAAJIC-HTRCEHHLSA-N 0 0 179.650 2.869 10 0 AFAERN Cc1c(N)cccc1C(=O)C(C)(C)C 197999388 573115864 /nfs/dbraw/zinc/11/58/64/573115864.db2.gz MWRNEQOCTFIASD-UHFFFAOYSA-N 0 0 191.274 2.806 10 0 AFAERN Nc1cc(Cl)ccc1CC1CC1 257944493 573115919 /nfs/dbraw/zinc/11/59/19/573115919.db2.gz VLOBJNYDIGIJMR-UHFFFAOYSA-N 0 0 181.666 2.875 10 0 AFAERN CC[C@H]1CC(CO)C[C@H](CC)C1 238288505 573115942 /nfs/dbraw/zinc/11/59/42/573115942.db2.gz BJLHQRNVRCXITK-NXEZZACHSA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@H](C)O[P@](C)(=O)CC=O 238287713 573116019 /nfs/dbraw/zinc/11/60/19/573116019.db2.gz BTNMXXVJUDLZLG-SHBQDIKNSA-N 0 0 178.168 2.739 10 0 AFAERN CCc1cc([C@@H](C)CO)ccc1C 257943861 573116063 /nfs/dbraw/zinc/11/60/63/573116063.db2.gz DRVIZRAKRVCPEQ-JTQLQIEISA-N 0 0 178.275 2.653 10 0 AFAERN CCOC(=O)N[C@]1(C)CCCC[C@H]1C 238287470 573116280 /nfs/dbraw/zinc/11/62/80/573116280.db2.gz CPIUVDGFMREOHG-MWLCHTKSSA-N 0 0 199.294 2.701 10 0 AFAERN CCc1c(C)[nH]c2c(N)ccc(F)c12 238288024 573116418 /nfs/dbraw/zinc/11/64/18/573116418.db2.gz HNQRFTXUFXGZRP-UHFFFAOYSA-N 0 0 192.237 2.760 10 0 AFAERN CCc1c(C)[nH]c2c(F)cc(N)cc12 238287915 573116453 /nfs/dbraw/zinc/11/64/53/573116453.db2.gz DZMVXAHKRWFVAL-UHFFFAOYSA-N 0 0 192.237 2.760 10 0 AFAERN CCc1ccc2c(c1)N[C@@H](C)CC2 238288385 573116577 /nfs/dbraw/zinc/11/65/77/573116577.db2.gz QBOAMCGDSXNKFT-VIFPVBQESA-N 0 0 175.275 2.996 10 0 AFAERN C[C@@H](O)CCOCCCC(C)(C)C 308267031 573116622 /nfs/dbraw/zinc/11/66/22/573116622.db2.gz QATBCSOHPXQELA-SNVBAGLBSA-N 0 0 188.311 2.600 10 0 AFAERN C[C@H](O)CCOCCCC(C)(C)C 308267030 573116689 /nfs/dbraw/zinc/11/66/89/573116689.db2.gz QATBCSOHPXQELA-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN C[C@H](C1CC1)[C@H](CCC(C)(C)C)NN 131922749 573116716 /nfs/dbraw/zinc/11/67/16/573116716.db2.gz ZXARSKCXNNZSRO-KOLCDFICSA-N 0 0 198.354 2.691 10 0 AFAERN CCc1c(C)[nH]c2c(F)c(O)ccc12 238287870 573116867 /nfs/dbraw/zinc/11/68/67/573116867.db2.gz GBVZPRQJNKHQDM-UHFFFAOYSA-N 0 0 193.221 2.883 10 0 AFAERN CCn1c(C(C)=O)cc2ccccc21 238288222 573116815 /nfs/dbraw/zinc/11/68/15/573116815.db2.gz ARUPMPPIUWFUTC-UHFFFAOYSA-N 0 0 187.242 2.864 10 0 AFAERN O=Cc1ccc2c(c1)[C@@H]1CCC[C@@H]1N2 114761291 573116978 /nfs/dbraw/zinc/11/69/78/573116978.db2.gz AUJMIPCCCBTUNR-ONGXEEELSA-N 0 0 187.242 2.561 10 0 AFAERN CC(C)/C=C\C(=O)OCCC1CC1 308267559 573117648 /nfs/dbraw/zinc/11/76/48/573117648.db2.gz QMQVCPDAXDXXNJ-UTCJRWHESA-N 0 0 182.263 2.542 10 0 AFAERN Cc1c[nH]c(=O)c2cc(Cl)ccc12 257944012 573117216 /nfs/dbraw/zinc/11/72/16/573117216.db2.gz CGDDJOWDOUCIQY-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1cnc2[nH]c3c(c2c1)CCCC3 142033452 573117224 /nfs/dbraw/zinc/11/72/24/573117224.db2.gz ZTLCLCDFSAOZBQ-UHFFFAOYSA-N 0 0 186.258 2.750 10 0 AFAERN Cc1csc(C(=O)COC(C)C)c1 393502575 573117242 /nfs/dbraw/zinc/11/72/42/573117242.db2.gz LRCDDKFOQCMGDC-UHFFFAOYSA-N 0 0 198.287 2.664 10 0 AFAERN CC(=O)CC1=CCc2ccccc21 144043863 573117308 /nfs/dbraw/zinc/11/73/08/573117308.db2.gz MUFZKPWGWKTENW-UHFFFAOYSA-N 0 0 172.227 2.605 10 0 AFAERN Cc1ccc2c(c1C)NC(=O)C2(C)C 82588298 573117319 /nfs/dbraw/zinc/11/73/19/573117319.db2.gz DDHAWFBIFHTHSG-UHFFFAOYSA-N 0 0 189.258 2.533 10 0 AFAERN O=Cc1ccc2c(c1)[C@@H]1CCC[C@H]1N2 114761289 573117326 /nfs/dbraw/zinc/11/73/26/573117326.db2.gz AUJMIPCCCBTUNR-GXSJLCMTSA-N 0 0 187.242 2.561 10 0 AFAERN O=Cc1ccc2c(c1)[C@H]1CCC[C@@H]1N2 114761296 573117349 /nfs/dbraw/zinc/11/73/49/573117349.db2.gz AUJMIPCCCBTUNR-KOLCDFICSA-N 0 0 187.242 2.561 10 0 AFAERN CCc1c(C)[nH]c2c(F)cc(O)cc12 238287924 573117433 /nfs/dbraw/zinc/11/74/33/573117433.db2.gz FWJHJCKAZXBCSC-UHFFFAOYSA-N 0 0 193.221 2.883 10 0 AFAERN O=Cc1cc(C(F)F)ccc1F 88267178 573117458 /nfs/dbraw/zinc/11/74/58/573117458.db2.gz PHIBKXLFKSNSBE-UHFFFAOYSA-N 0 0 174.121 2.576 10 0 AFAERN CCc1c(C)[nH]c2cc(N)c(C)cc12 238288402 573117500 /nfs/dbraw/zinc/11/75/00/573117500.db2.gz QUZIGODHXDJMHR-UHFFFAOYSA-N 0 0 188.274 2.929 10 0 AFAERN Oc1ccc2c(c1)O[C@@H]1CCCC[C@H]21 144022087 573118028 /nfs/dbraw/zinc/11/80/28/573118028.db2.gz IXHHBYOLRVJSLN-MWLCHTKSSA-N 0 0 190.242 2.811 10 0 AFAERN C[C@H](C1CC1)[C@@H](CCC(C)(C)C)NN 131922389 573117879 /nfs/dbraw/zinc/11/78/79/573117879.db2.gz ZXARSKCXNNZSRO-MWLCHTKSSA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@@H]1c2ccc(O)cc2NC[C@H]1C 238287028 573117930 /nfs/dbraw/zinc/11/79/30/573117930.db2.gz GGEVJXKOOGNSMS-SCZZXKLOSA-N 0 0 191.274 2.947 10 0 AFAERN CO[C@H](c1ccc(C)c(C)c1)N(C)C 259331319 573117966 /nfs/dbraw/zinc/11/79/66/573117966.db2.gz YMLIPUGTFKLFLH-GFCCVEGCSA-N 0 0 193.290 2.510 10 0 AFAERN CC[C@@H](C)c1ccc(CNO)cc1 257945426 573118248 /nfs/dbraw/zinc/11/82/48/573118248.db2.gz DSMRBDRBNBNDIS-SECBINFHSA-N 0 0 179.263 2.679 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1c1cccc(F)c1F 235711556 573118008 /nfs/dbraw/zinc/11/80/08/573118008.db2.gz FCZHCZHQXRWACP-POYBYMJQSA-N 0 0 196.196 2.657 10 0 AFAERN CCc1cc([C@H](C)CO)ccc1C 257945411 573118134 /nfs/dbraw/zinc/11/81/34/573118134.db2.gz DRVIZRAKRVCPEQ-SNVBAGLBSA-N 0 0 178.275 2.653 10 0 AFAERN CC[C@H](C)c1ccc(CNO)cc1 257945427 573118258 /nfs/dbraw/zinc/11/82/58/573118258.db2.gz DSMRBDRBNBNDIS-VIFPVBQESA-N 0 0 179.263 2.679 10 0 AFAERN C[C@H]1CCCC=C1CCCO 197084213 573118219 /nfs/dbraw/zinc/11/82/19/573118219.db2.gz SQXYJPCMWFQOIL-VIFPVBQESA-N 0 0 154.253 2.505 10 0 AFAERN COC1(C(=O)CCC(C)C)CCCC1 128740390 573118239 /nfs/dbraw/zinc/11/82/39/573118239.db2.gz HRYHDVYRCFUJGL-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CCc1c(C)[nH]c2cc(N)c(F)cc12 238288422 573118508 /nfs/dbraw/zinc/11/85/08/573118508.db2.gz BDNHDKFTULRRSK-UHFFFAOYSA-N 0 0 192.237 2.760 10 0 AFAERN CC(C)[C@@H](C)CC(=O)NC(C)(C)C 308267908 573118569 /nfs/dbraw/zinc/11/85/69/573118569.db2.gz QPKYSMVWQPTLHO-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN Oc1ccc2c(c1)O[C@H]1CCCC[C@@H]21 144021584 573118578 /nfs/dbraw/zinc/11/85/78/573118578.db2.gz IXHHBYOLRVJSLN-ONGXEEELSA-N 0 0 190.242 2.811 10 0 AFAERN CCc1c(C)[nH]c2c(O)cccc12 238288109 573118579 /nfs/dbraw/zinc/11/85/79/573118579.db2.gz PSWYNFIVOXOVCU-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN COc1cc(C)c2[nH]c(Cl)nc2c1 143998457 573118679 /nfs/dbraw/zinc/11/86/79/573118679.db2.gz IADUPARJZKFKOZ-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN CCCc1csc(CCC(C)=O)n1 259330638 573118732 /nfs/dbraw/zinc/11/87/32/573118732.db2.gz RWJPAHGGAWPDGS-UHFFFAOYSA-N 0 0 197.303 2.617 10 0 AFAERN CCc1ccc2c(c1O)CCCC2 238287775 573118756 /nfs/dbraw/zinc/11/87/56/573118756.db2.gz CZDKTPNLYRZSOY-UHFFFAOYSA-N 0 0 176.259 2.833 10 0 AFAERN CC[C@H]1CC(=O)Cc2ccccc21 238287456 573118763 /nfs/dbraw/zinc/11/87/63/573118763.db2.gz HNCKPTYBALNYOG-VIFPVBQESA-N 0 0 174.243 2.696 10 0 AFAERN C[C@@H](C1CC1)[C@@H](CCC(C)(C)C)NN 131922181 573118796 /nfs/dbraw/zinc/11/87/96/573118796.db2.gz ZXARSKCXNNZSRO-GXSJLCMTSA-N 0 0 198.354 2.691 10 0 AFAERN CCOC(=O)/C=C/CCC(C)C 218499188 573118891 /nfs/dbraw/zinc/11/88/91/573118891.db2.gz PGXPBZUOEWPRAP-SOFGYWHQSA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)[C@H](C)CC(=O)NC(C)(C)C 308267907 573118960 /nfs/dbraw/zinc/11/89/60/573118960.db2.gz QPKYSMVWQPTLHO-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN Oc1ccc2c(c1)O[C@@H]1CCCC[C@@H]21 144021967 573119129 /nfs/dbraw/zinc/11/91/29/573119129.db2.gz IXHHBYOLRVJSLN-GXSJLCMTSA-N 0 0 190.242 2.811 10 0 AFAERN Cc1cccc2c[nH+]c(C3CCC3)n12 257947359 573119130 /nfs/dbraw/zinc/11/91/30/573119130.db2.gz KTMZVUCLGAECEO-UHFFFAOYSA-N 0 0 186.258 2.910 10 0 AFAERN CCc1ccc2c(c1)N[C@H](C)CC2 238288204 573119262 /nfs/dbraw/zinc/11/92/62/573119262.db2.gz QBOAMCGDSXNKFT-SECBINFHSA-N 0 0 175.275 2.996 10 0 AFAERN CC[C@@H](C)Oc1ccnc(Cl)c1 82605490 573119179 /nfs/dbraw/zinc/11/91/79/573119179.db2.gz OXOQEZNJZMFYKN-SSDOTTSWSA-N 0 0 185.654 2.912 10 0 AFAERN CCc1c(C)[nH]c2c(C)cc(N)cc12 238287340 573119249 /nfs/dbraw/zinc/11/92/49/573119249.db2.gz ZSOOFCRIDIWYFC-UHFFFAOYSA-N 0 0 188.274 2.929 10 0 AFAERN CCCC[C@@H](O)c1cc(F)ccc1N 131921212 573119253 /nfs/dbraw/zinc/11/92/53/573119253.db2.gz MCPBGNXWGIBXLG-LLVKDONJSA-N 0 0 197.253 2.632 10 0 AFAERN CCOC(=O)N[C@]1(C)CCCC[C@@H]1C 238287449 573119326 /nfs/dbraw/zinc/11/93/26/573119326.db2.gz CPIUVDGFMREOHG-GXSJLCMTSA-N 0 0 199.294 2.701 10 0 AFAERN C[C@@H](O)[C@H](F)CC1CCCCC1 257947573 573119354 /nfs/dbraw/zinc/11/93/54/573119354.db2.gz VTSAVMNDZUSYQK-PSASIEDQSA-N 0 0 174.259 2.676 10 0 AFAERN CC[C@@H]1c2ccccc2[C@@H](O)[C@H]1C 238287277 573119420 /nfs/dbraw/zinc/11/94/20/573119420.db2.gz IHLICGWVGVZGSW-AUTRQRHGSA-N 0 0 176.259 2.863 10 0 AFAERN CCS[C@@H](C)C(C)(C)C(C)=O 238287985 573119564 /nfs/dbraw/zinc/11/95/64/573119564.db2.gz XYPMPOBRVYMSDI-QMMMGPOBSA-N 0 0 174.309 2.743 10 0 AFAERN CC(C)COc1ccnc(Cl)c1 82605407 573119630 /nfs/dbraw/zinc/11/96/30/573119630.db2.gz CBSGGVWKNWDVAI-UHFFFAOYSA-N 0 0 185.654 2.770 10 0 AFAERN C[C@@H](F)Oc1ccc2c(c1)CCCN2 257947934 573119634 /nfs/dbraw/zinc/11/96/34/573119634.db2.gz IMBHYJQGTWSVLN-QMMMGPOBSA-N 0 0 195.237 2.739 10 0 AFAERN COc1ccc2[nH]c(Cl)nc2c1C 143981737 573119642 /nfs/dbraw/zinc/11/96/42/573119642.db2.gz CQXGCZSZQGKENC-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN Cc1ccc([C@@H](C)O)c(Cl)c1F 257947693 573119710 /nfs/dbraw/zinc/11/97/10/573119710.db2.gz ANOBQTSLHWHUMD-ZCFIWIBFSA-N 0 0 188.629 2.841 10 0 AFAERN CO[C@@H](c1ccc(C)c(C)c1)N(C)C 259331322 573119770 /nfs/dbraw/zinc/11/97/70/573119770.db2.gz YMLIPUGTFKLFLH-LBPRGKRZSA-N 0 0 193.290 2.510 10 0 AFAERN CC(C)[C@@H](C)OC(=O)CC(C)(F)F 308268425 573119787 /nfs/dbraw/zinc/11/97/87/573119787.db2.gz QVTLYLDSNNVJTF-SSDOTTSWSA-N 0 0 194.221 2.619 10 0 AFAERN FC1(F)CC=C(c2cn[nH]c2)CC1 143985235 573119813 /nfs/dbraw/zinc/11/98/13/573119813.db2.gz WLMHYUSPBNEGAX-UHFFFAOYSA-N 0 0 184.189 2.612 10 0 AFAERN C[C@H](O)[C@H](F)CC1CCCCC1 257947575 573119955 /nfs/dbraw/zinc/11/99/55/573119955.db2.gz VTSAVMNDZUSYQK-WCBMZHEXSA-N 0 0 174.259 2.676 10 0 AFAERN Cc1ccc(Oc2ncco2)cc1 257946819 573119983 /nfs/dbraw/zinc/11/99/83/573119983.db2.gz WLTOLMCIKXBCCS-UHFFFAOYSA-N 0 0 175.187 2.775 10 0 AFAERN CC[C@@H](Nc1cccnc1C)C1CC1 85711755 573120012 /nfs/dbraw/zinc/12/00/12/573120012.db2.gz WATQDKZEHRORQX-LLVKDONJSA-N 0 0 190.290 2.991 10 0 AFAERN CC(C)=C[C@@H](C)OC(=O)C1(C)CC1 308267228 573120021 /nfs/dbraw/zinc/12/00/21/573120021.db2.gz QGQBTLYNOIAUHF-SECBINFHSA-N 0 0 182.263 2.684 10 0 AFAERN CCS[C@@H](C)/C=C/Cl 238288356 573120174 /nfs/dbraw/zinc/12/01/74/573120174.db2.gz XSXAZJJHUDIMJV-OVCGOVNKSA-N 0 0 150.674 2.881 10 0 AFAERN CC[C@@]1(C)CCC(=O)c2occc21 238288333 573120202 /nfs/dbraw/zinc/12/02/02/573120202.db2.gz LSBLCZZYIUIHHV-NSHDSACASA-N 0 0 178.231 2.924 10 0 AFAERN Cc1c[nH]c2cccc([C@@H](C)O)c12 257946335 573120276 /nfs/dbraw/zinc/12/02/76/573120276.db2.gz DWXBPDKIJFJAGL-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN Cc1cc(C)cc(-c2cnoc2N)c1 257947730 573120281 /nfs/dbraw/zinc/12/02/81/573120281.db2.gz AOLQUZAERZZGHG-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC1(C)C([C@@H](O)c2ccc[nH]2)C1(C)C 85710512 573120371 /nfs/dbraw/zinc/12/03/71/573120371.db2.gz UKWKKKHTBBKHAD-VIFPVBQESA-N 0 0 193.290 2.730 10 0 AFAERN CC(C)/C=C/C(=O)OCCC1CC1 308267560 573120431 /nfs/dbraw/zinc/12/04/31/573120431.db2.gz QMQVCPDAXDXXNJ-ZZXKWVIFSA-N 0 0 182.263 2.542 10 0 AFAERN C[C@@H](O)[C@@H](F)CC1CCCCC1 257947574 573120445 /nfs/dbraw/zinc/12/04/45/573120445.db2.gz VTSAVMNDZUSYQK-SCZZXKLOSA-N 0 0 174.259 2.676 10 0 AFAERN Clc1cc(OC2CCC2)ccn1 82605620 573120594 /nfs/dbraw/zinc/12/05/94/573120594.db2.gz VQGUEFZIZWDRQQ-UHFFFAOYSA-N 0 0 183.638 2.666 10 0 AFAERN Cc1cc(O)cc(N2CCCCC2)c1 144004645 573120632 /nfs/dbraw/zinc/12/06/32/573120632.db2.gz OVLMUMWURPSSDZ-UHFFFAOYSA-N 0 0 191.274 2.691 10 0 AFAERN CC(C)Cc1cn2c(n1)CCC[C@H]2C 258531834 573120634 /nfs/dbraw/zinc/12/06/34/573120634.db2.gz SHCDYPKJFDDWSC-SNVBAGLBSA-N 0 0 192.306 2.979 10 0 AFAERN CCO[C@H]1C[C@@H]1C(=O)CCCC(C)C 689918341 573121033 /nfs/dbraw/zinc/12/10/33/573121033.db2.gz KZMWGSNUGBCEPQ-PWSUYJOCSA-N 0 0 198.306 2.807 10 0 AFAERN CSc1ncnc2cccc(C)c12 144046900 573120707 /nfs/dbraw/zinc/12/07/07/573120707.db2.gz ZWVAAOJYHDEETA-UHFFFAOYSA-N 0 0 190.271 2.660 10 0 AFAERN CC(=O)[C@H](C)C[C@H]1CC[C@@H](C2CC2)O1 715451042 573120712 /nfs/dbraw/zinc/12/07/12/573120712.db2.gz IIRAVSMWBVDVLR-FXAINCCUSA-N 0 0 196.290 2.559 10 0 AFAERN CC1(C)C([C@H](O)c2ccc[nH]2)C1(C)C 85710509 573120723 /nfs/dbraw/zinc/12/07/23/573120723.db2.gz UKWKKKHTBBKHAD-SECBINFHSA-N 0 0 193.290 2.730 10 0 AFAERN OC1(c2cc3ccoc3cc2F)CC1 257947844 573120870 /nfs/dbraw/zinc/12/08/70/573120870.db2.gz ARFSYTVHZQZFIY-UHFFFAOYSA-N 0 0 192.189 2.553 10 0 AFAERN Nc1csc(Oc2ccccc2)n1 257946730 573120886 /nfs/dbraw/zinc/12/08/86/573120886.db2.gz WJFDWXBYBUGBJQ-UHFFFAOYSA-N 0 0 192.243 2.518 10 0 AFAERN CC(C)Cc1cn2c(n1)CCC[C@@H]2C 258531833 573120907 /nfs/dbraw/zinc/12/09/07/573120907.db2.gz SHCDYPKJFDDWSC-JTQLQIEISA-N 0 0 192.306 2.979 10 0 AFAERN CC1(C)C([C@@H](O)c2cc[nH]c2)C1(C)C 85710518 573121019 /nfs/dbraw/zinc/12/10/19/573121019.db2.gz GQVXMFDRODRRMY-VIFPVBQESA-N 0 0 193.290 2.730 10 0 AFAERN Fc1ccc(F)c(Cn2cccc2)c1 82599800 573121049 /nfs/dbraw/zinc/12/10/49/573121049.db2.gz MIXNJOCIIRUTTK-UHFFFAOYSA-N 0 0 193.196 2.815 10 0 AFAERN Cc1ccc(Oc2nccn2C)cc1 257946838 573121079 /nfs/dbraw/zinc/12/10/79/573121079.db2.gz WMDUXZCEYBQGHP-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN Cc1ncccc1NCc1ccoc1 85712232 573121110 /nfs/dbraw/zinc/12/11/10/573121110.db2.gz STGMKNJKEAUMHS-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN CC1(C)C([C@H](O)c2cc[nH]c2)C1(C)C 85710515 573121128 /nfs/dbraw/zinc/12/11/28/573121128.db2.gz GQVXMFDRODRRMY-SECBINFHSA-N 0 0 193.290 2.730 10 0 AFAERN O=Cc1ccc2c(c1)[C@H]1CCC[C@H]1N2 114761294 573121131 /nfs/dbraw/zinc/12/11/31/573121131.db2.gz AUJMIPCCCBTUNR-MWLCHTKSSA-N 0 0 187.242 2.561 10 0 AFAERN CC(=O)[C@H](C)C[C@@H]1CC[C@H](C2CC2)O1 715451058 573121140 /nfs/dbraw/zinc/12/11/40/573121140.db2.gz IIRAVSMWBVDVLR-JFUSQASVSA-N 0 0 196.290 2.559 10 0 AFAERN CC[C@H]1C=CC[C@@H]2CC(=O)C[C@H]12 238288764 573121362 /nfs/dbraw/zinc/12/13/62/573121362.db2.gz NLFZYUMKXOQSCI-IQJOONFLSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccccc1-c1c[nH]c(N)c1 258234870 573122167 /nfs/dbraw/zinc/12/21/67/573122167.db2.gz ZBHNSNCDOQIEJR-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CCO[C@H]1C[C@H]1C(=O)CCCC(C)C 689918335 573121992 /nfs/dbraw/zinc/12/19/92/573121992.db2.gz KZMWGSNUGBCEPQ-JQWIXIFHSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@H](F)Oc1ccc2c(c1)CCCN2 257947933 573122054 /nfs/dbraw/zinc/12/20/54/573122054.db2.gz IMBHYJQGTWSVLN-MRVPVSSYSA-N 0 0 195.237 2.739 10 0 AFAERN CC[C@H](Nc1cccnc1C)C1CC1 85711750 573122125 /nfs/dbraw/zinc/12/21/25/573122125.db2.gz WATQDKZEHRORQX-NSHDSACASA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ncccc1N[C@@H](C)C1(C)CC1 85711687 573122191 /nfs/dbraw/zinc/12/21/91/573122191.db2.gz HHVJVNWDYRIADI-JTQLQIEISA-N 0 0 190.290 2.991 10 0 AFAERN CCC(CC)CC(C)(C)CO 128848418 573122564 /nfs/dbraw/zinc/12/25/64/573122564.db2.gz JRJMHEKDYCNTOW-UHFFFAOYSA-N 0 0 158.285 2.831 10 0 AFAERN Cc1ccc(C(=O)C2CC(C)C2)cn1 715448585 573122609 /nfs/dbraw/zinc/12/26/09/573122609.db2.gz ACUYLFSHOOXQSN-UHFFFAOYSA-N 0 0 189.258 2.619 10 0 AFAERN CNc1ccc2ncc(C)cc2c1 259334915 573122621 /nfs/dbraw/zinc/12/26/21/573122621.db2.gz XNBPVDZAWRWGTO-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN CC(C)n1c(CO)cc2ccccc21 257946491 573122650 /nfs/dbraw/zinc/12/26/50/573122650.db2.gz RLQHGOJEFRIMPU-UHFFFAOYSA-N 0 0 189.258 2.715 10 0 AFAERN CC(=O)[C@H](C)C[C@H]1CC[C@H](C2CC2)O1 715451047 573122677 /nfs/dbraw/zinc/12/26/77/573122677.db2.gz IIRAVSMWBVDVLR-GGZOMVNGSA-N 0 0 196.290 2.559 10 0 AFAERN CCn1c(N)ccc1-c1ccccc1 258234859 573122708 /nfs/dbraw/zinc/12/27/08/573122708.db2.gz ZAYDDXKGPVMDRN-UHFFFAOYSA-N 0 0 186.258 2.757 10 0 AFAERN CC(C)CC(=O)N[C@@H](C)C(C)(C)C 308268927 573122738 /nfs/dbraw/zinc/12/27/38/573122738.db2.gz RCBBWKOJSYBUOX-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN CCCCC[C@H](O)/C=C/c1ccc[nH]1 308274060 573122771 /nfs/dbraw/zinc/12/27/71/573122771.db2.gz JHNIIRAVYRGWDJ-BCPZQOPPSA-N 0 0 193.290 2.969 10 0 AFAERN CSc1cc(C)c(C)cc1C=O 257946987 573122834 /nfs/dbraw/zinc/12/28/34/573122834.db2.gz FABQFZMVJJHXFU-UHFFFAOYSA-N 0 0 180.272 2.838 10 0 AFAERN O[C@@]1(C(F)(F)F)CCCC2(CC2)C1 642845939 573122892 /nfs/dbraw/zinc/12/28/92/573122892.db2.gz QQOXKDFOSMVALP-QMMMGPOBSA-N 0 0 194.196 2.634 10 0 AFAERN Cc1cccc2c[nH+]c(C(C)C)n12 257947152 573122963 /nfs/dbraw/zinc/12/29/63/573122963.db2.gz KRFXOWOYSMOZPI-UHFFFAOYSA-N 0 0 174.247 2.766 10 0 AFAERN CC(C)(C)Oc1cnn(C(C)(C)C)c1 258531927 573123040 /nfs/dbraw/zinc/12/30/40/573123040.db2.gz NONCIYJJADFRTB-UHFFFAOYSA-N 0 0 196.294 2.815 10 0 AFAERN Cc1c[nH]c2cccc([C@H](C)O)c12 257946339 573123074 /nfs/dbraw/zinc/12/30/74/573123074.db2.gz DWXBPDKIJFJAGL-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN COC1(C(=O)CC2CCC2)CCCC1 128763355 573123150 /nfs/dbraw/zinc/12/31/50/573123150.db2.gz QBBPAZLTCQCREI-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN C/C=C/C(=O)NC[C@H]1CCCC[C@@H]1C 88439081 573123163 /nfs/dbraw/zinc/12/31/63/573123163.db2.gz FFNLQUXPXKZXBO-YBGSMITQSA-N 0 0 195.306 2.505 10 0 AFAERN CC(=O)[C@H](C)C[C@@H]1CC[C@@H](C2CC2)O1 715451062 573124512 /nfs/dbraw/zinc/12/45/12/573124512.db2.gz IIRAVSMWBVDVLR-ZHAHWJHGSA-N 0 0 196.290 2.559 10 0 AFAERN C/C=C/COc1ccnc(Cl)c1 82605622 573123192 /nfs/dbraw/zinc/12/31/92/573123192.db2.gz YJXRBNFVSJIOLS-NSCUHMNNSA-N 0 0 183.638 2.690 10 0 AFAERN CC[C@H](C)Oc1ccnc(Cl)c1 82605492 573123368 /nfs/dbraw/zinc/12/33/68/573123368.db2.gz OXOQEZNJZMFYKN-ZETCQYMHSA-N 0 0 185.654 2.912 10 0 AFAERN CC[C@H]1CC(=O)c2c(F)cccc2N1 238288941 573123427 /nfs/dbraw/zinc/12/34/27/573123427.db2.gz BTVXANRQTZFEBV-ZETCQYMHSA-N 0 0 193.221 2.603 10 0 AFAERN CCC(CC)C(=O)C1(OC)CCCC1 128752642 573123510 /nfs/dbraw/zinc/12/35/10/573123510.db2.gz MGWVJMRMLIJCMG-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1c(N)noc1C1C(C)(C)C1(C)C 85711200 573123521 /nfs/dbraw/zinc/12/35/21/573123521.db2.gz CNDGCAHJMRNKSS-UHFFFAOYSA-N 0 0 194.278 2.715 10 0 AFAERN CCC[C@H](O)C1(C)CC(F)(F)C1 642846955 573123542 /nfs/dbraw/zinc/12/35/42/573123542.db2.gz IXYVZMKKMDVFJT-ZETCQYMHSA-N 0 0 178.222 2.583 10 0 AFAERN CC1(C)C(C(=O)c2cc[nH]c2)C1(C)C 85709474 573123544 /nfs/dbraw/zinc/12/35/44/573123544.db2.gz WGLZVAMRWQDJGY-UHFFFAOYSA-N 0 0 191.274 2.880 10 0 AFAERN COC(=O)C1(C2CCCCC2)CCC1 259335367 573123890 /nfs/dbraw/zinc/12/38/90/573123890.db2.gz SEMMEKXGWDEDBO-UHFFFAOYSA-N 0 0 196.290 2.910 10 0 AFAERN CC[C@H]1C(=O)c2ccc(O)cc2[C@H]1C 238281295 573123891 /nfs/dbraw/zinc/12/38/91/573123891.db2.gz RIRUMYKMPUGVKK-IONNQARKSA-N 0 0 190.242 2.718 10 0 AFAERN CCCCCNc1cccnc1C 85711944 573123953 /nfs/dbraw/zinc/12/39/53/573123953.db2.gz GTPHVKGIDYDQEO-UHFFFAOYSA-N 0 0 178.279 2.992 10 0 AFAERN CC[C@@H](C)C(=O)C1(OC)CCCC1 128745689 573124088 /nfs/dbraw/zinc/12/40/88/573124088.db2.gz FMRBTCIBQAYHNE-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H]1C(=O)c2ccccc2N[C@H]1C 238281264 573124114 /nfs/dbraw/zinc/12/41/14/573124114.db2.gz OZGNBPYJUFRQOY-DTWKUNHWSA-N 0 0 189.258 2.710 10 0 AFAERN O=Cc1cc(-c2ccccc2F)c[nH]1 259337226 573124211 /nfs/dbraw/zinc/12/42/11/573124211.db2.gz XSNXGCGPZWGAAO-UHFFFAOYSA-N 0 0 189.189 2.633 10 0 AFAERN CC[C@H](C)CC(=O)C1(OC)CCCC1 128748445 573124260 /nfs/dbraw/zinc/12/42/60/573124260.db2.gz NAPUAWGXOGBSCP-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN CCn1c(C)c(C)c2c(O)cccc21 238288755 573124263 /nfs/dbraw/zinc/12/42/63/573124263.db2.gz ZLMXECHLRBPLME-UHFFFAOYSA-N 0 0 189.258 2.984 10 0 AFAERN CC1(C)C(C(=O)c2ccc[nH]2)C1(C)C 85709471 573124302 /nfs/dbraw/zinc/12/43/02/573124302.db2.gz LBEKRJREBRZKMK-UHFFFAOYSA-N 0 0 191.274 2.880 10 0 AFAERN C=COC[C@@H]1CCC[C@@H](C)C1 114799575 573124333 /nfs/dbraw/zinc/12/43/33/573124333.db2.gz QXENIWNTMYQQLE-NXEZZACHSA-N 0 0 154.253 2.973 10 0 AFAERN CCCCC[C@@H](O)/C=C/c1ccc[nH]1 308274063 573124382 /nfs/dbraw/zinc/12/43/82/573124382.db2.gz JHNIIRAVYRGWDJ-IDVQTMNDSA-N 0 0 193.290 2.969 10 0 AFAERN C/C=C/C(=O)NC[C@H]1CCCC[C@H]1C 88439083 573124384 /nfs/dbraw/zinc/12/43/84/573124384.db2.gz FFNLQUXPXKZXBO-NNPIPJJVSA-N 0 0 195.306 2.505 10 0 AFAERN CCc1noc([C@@H](C)CC(C)C)n1 308273938 573124390 /nfs/dbraw/zinc/12/43/90/573124390.db2.gz UPHPYPAYZKNQHL-QMMMGPOBSA-N 0 0 182.267 2.782 10 0 AFAERN CSCC(=O)C1C(C)(C)C1(C)C 85709924 573124410 /nfs/dbraw/zinc/12/44/10/573124410.db2.gz XOPKGMSUNUPMRH-UHFFFAOYSA-N 0 0 186.320 2.601 10 0 AFAERN CC[C@H]1CC=C(C)[C@H](C(C)=O)C1 238288908 573124421 /nfs/dbraw/zinc/12/44/21/573124421.db2.gz VMMUGOVJBRHWDQ-WDEREUQCSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1ncccc1NCC1CCCC1 85711405 573124423 /nfs/dbraw/zinc/12/44/23/573124423.db2.gz DUBCBWQIHLAQDI-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN COC1(C(=O)CCC2CC2)CCCC1 128749384 573124437 /nfs/dbraw/zinc/12/44/37/573124437.db2.gz VLJILWZBJZIJNG-UHFFFAOYSA-N 0 0 196.290 2.705 10 0 AFAERN CCO[C@@H]1C[C@@H]1C(=O)CCCC(C)C 689918344 573124468 /nfs/dbraw/zinc/12/44/68/573124468.db2.gz KZMWGSNUGBCEPQ-ZYHUDNBSSA-N 0 0 198.306 2.807 10 0 AFAERN CCSC1=C[C@@H](O)CC(C)(C)C1 238280904 573124555 /nfs/dbraw/zinc/12/45/55/573124555.db2.gz IWOZEXDMJIPUMF-MRVPVSSYSA-N 0 0 186.320 2.804 10 0 AFAERN CC[C@@H]1C[C@@](C)(CC)CC1=O 238280878 573124631 /nfs/dbraw/zinc/12/46/31/573124631.db2.gz BDVZUHVVVYEPCI-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)CC[C@@](C)(O)C1=CCCCO1 308502294 573125416 /nfs/dbraw/zinc/12/54/16/573125416.db2.gz XCFFRLQVDHYLFI-GFCCVEGCSA-N 0 0 198.306 2.868 10 0 AFAERN CCSC1=C[C@H](O)CC(C)(C)C1 238280921 573124659 /nfs/dbraw/zinc/12/46/59/573124659.db2.gz IWOZEXDMJIPUMF-QMMMGPOBSA-N 0 0 186.320 2.804 10 0 AFAERN CCc1c(C)[nH]c2cccc(N)c12 238288630 573124686 /nfs/dbraw/zinc/12/46/86/573124686.db2.gz FDVHTGJBNTWSFM-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN COc1cccc2ccc(O)c(C)c12 257951233 573124797 /nfs/dbraw/zinc/12/47/97/573124797.db2.gz CORATEOOXDPOEB-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CC[C@H]1CC=C(C)[C@@H](C(C)=O)C1 238288890 573125174 /nfs/dbraw/zinc/12/51/74/573125174.db2.gz VMMUGOVJBRHWDQ-QWRGUYRKSA-N 0 0 166.264 2.958 10 0 AFAERN C/C=C\C[C@H]1CCCCC1=O 88393578 573125225 /nfs/dbraw/zinc/12/52/25/573125225.db2.gz RNJOUKUODKCLQA-XADBCAIWSA-N 0 0 152.237 2.712 10 0 AFAERN C[C@@H](NCC(F)(F)F)[C@H]1CC1(C)C 308270169 573125269 /nfs/dbraw/zinc/12/52/69/573125269.db2.gz RRBRXBSZKKXMBD-RNFRBKRXSA-N 0 0 195.228 2.573 10 0 AFAERN CSc1ccc(C=O)cc1C 82612917 573125291 /nfs/dbraw/zinc/12/52/91/573125291.db2.gz UXRJWVPEEFHONQ-UHFFFAOYSA-N 0 0 166.245 2.529 10 0 AFAERN CC[C@H](C)C(=C=CC(N)=O)[C@H](C)CC 308270200 573125298 /nfs/dbraw/zinc/12/52/98/573125298.db2.gz UZGUIMAIZDBZLZ-RSMPGPOFSA-N 0 0 195.306 2.645 10 0 AFAERN CCc1ccc(Cn2ccnc2)s1 82615248 573125327 /nfs/dbraw/zinc/12/53/27/573125327.db2.gz AQYGIAJDRVDSQI-UHFFFAOYSA-N 0 0 192.287 2.555 10 0 AFAERN CCCSc1ccc(C=O)o1 82612331 573125658 /nfs/dbraw/zinc/12/56/58/573125658.db2.gz BJDWVELLTQQZRX-UHFFFAOYSA-N 0 0 170.233 2.594 10 0 AFAERN CCSc1ccc(CO)c(C)c1 82616521 573125669 /nfs/dbraw/zinc/12/56/69/573125669.db2.gz OXJHUFYDOKMVBZ-UHFFFAOYSA-N 0 0 182.288 2.599 10 0 AFAERN CCc1cc(F)cc(C(C)(C)O)c1 257949524 573125712 /nfs/dbraw/zinc/12/57/12/573125712.db2.gz ARJXCCHUHHFVGE-UHFFFAOYSA-N 0 0 182.238 2.616 10 0 AFAERN CO[C@@H](C(=O)C1CCCCC1)C(C)C 131938312 573125750 /nfs/dbraw/zinc/12/57/50/573125750.db2.gz IGQYXCKEUCOUEA-GFCCVEGCSA-N 0 0 198.306 2.807 10 0 AFAERN CSc1ccc(F)cc1[C@H](C)O 82617032 573125765 /nfs/dbraw/zinc/12/57/65/573125765.db2.gz NKIMCTKGTQOAOL-LURJTMIESA-N 0 0 186.251 2.601 10 0 AFAERN C/C=C\C[C@@H]1CCCCC1=O 88393577 573125774 /nfs/dbraw/zinc/12/57/74/573125774.db2.gz RNJOUKUODKCLQA-PKRMOACSSA-N 0 0 152.237 2.712 10 0 AFAERN CCCc1ccc(Cl)c(C=O)c1O 238280976 573125788 /nfs/dbraw/zinc/12/57/88/573125788.db2.gz JPQNUUMGMYZNIZ-UHFFFAOYSA-N 0 0 198.649 2.811 10 0 AFAERN CSc1ccc(F)cc1[C@@H](C)O 82617046 573125823 /nfs/dbraw/zinc/12/58/23/573125823.db2.gz NKIMCTKGTQOAOL-ZCFIWIBFSA-N 0 0 186.251 2.601 10 0 AFAERN Cc1cc(C)n(Cc2cccs2)n1 82615115 573125850 /nfs/dbraw/zinc/12/58/50/573125850.db2.gz SBTUBNYIRYQUQW-UHFFFAOYSA-N 0 0 192.287 2.610 10 0 AFAERN CCO[C@@H]1C[C@H]1C(=O)CCCC(C)C 689918332 573125954 /nfs/dbraw/zinc/12/59/54/573125954.db2.gz KZMWGSNUGBCEPQ-CMPLNLGQSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)Sc1ccc(C=O)o1 82612783 573126013 /nfs/dbraw/zinc/12/60/13/573126013.db2.gz SIOYMUQBKGPGSM-UHFFFAOYSA-N 0 0 170.233 2.593 10 0 AFAERN Cc1cc(CO)ccc1SC(C)C 82616956 573126019 /nfs/dbraw/zinc/12/60/19/573126019.db2.gz RRQUNXRIKYHWEQ-UHFFFAOYSA-N 0 0 196.315 2.988 10 0 AFAERN CCSc1ccc(CO)cc1C 82616537 573126156 /nfs/dbraw/zinc/12/61/56/573126156.db2.gz XZEUOFKPEYBQCW-UHFFFAOYSA-N 0 0 182.288 2.599 10 0 AFAERN CC[C@@H]1c2ccc(O)cc2NC[C@@H]1C 238282017 573128259 /nfs/dbraw/zinc/12/82/59/573128259.db2.gz GGEVJXKOOGNSMS-WPRPVWTQSA-N 0 0 191.274 2.947 10 0 AFAERN CCCc1ccc(CC)[nH]1 114791541 573126293 /nfs/dbraw/zinc/12/62/93/573126293.db2.gz CQCCIDNDFWVUAJ-UHFFFAOYSA-N 0 0 137.226 2.530 10 0 AFAERN CCc1cc(CC)c(CC)[nH]1 114791189 573126299 /nfs/dbraw/zinc/12/62/99/573126299.db2.gz IWLHRDCNRSUCER-UHFFFAOYSA-N 0 0 151.253 2.702 10 0 AFAERN CCSc1ccc(F)cc1C=O 82612279 573126382 /nfs/dbraw/zinc/12/63/82/573126382.db2.gz YWANBCOQWPCHLK-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN CCc1ccc(Cn2cccn2)s1 82615038 573126389 /nfs/dbraw/zinc/12/63/89/573126389.db2.gz DHTMOKVIGKNMKN-UHFFFAOYSA-N 0 0 192.287 2.555 10 0 AFAERN CCSc1ccc(C=O)c(C)c1 82612274 573126415 /nfs/dbraw/zinc/12/64/15/573126415.db2.gz WDEDPNREFLMNLU-UHFFFAOYSA-N 0 0 180.272 2.920 10 0 AFAERN C[C@@H]1CSc2c1cccc2[C@@H](C)O 257950637 573126476 /nfs/dbraw/zinc/12/64/76/573126476.db2.gz FEUSZOPDTKGOHJ-HTQZYQBOSA-N 0 0 194.299 2.949 10 0 AFAERN CC[C@]12CCCC(=O)[C@H]1CCC2 238282808 573126493 /nfs/dbraw/zinc/12/64/93/573126493.db2.gz XDJCLNJQOKLEIU-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN CSc1ccc(C)c(CCCO)c1 257949639 573126512 /nfs/dbraw/zinc/12/65/12/573126512.db2.gz AUMBRAGOKKSEKZ-UHFFFAOYSA-N 0 0 196.315 2.642 10 0 AFAERN CC[C@@]12CCCC(=O)[C@@H]1CC2 238282161 573126540 /nfs/dbraw/zinc/12/65/40/573126540.db2.gz IVTANCOUMALGRW-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@@H]1C[C@H](C)Nc2cc(N)ccc21 238282270 573126551 /nfs/dbraw/zinc/12/65/51/573126551.db2.gz MJXZNHKIWHCZOV-DTWKUNHWSA-N 0 0 190.290 2.967 10 0 AFAERN Fc1cccc(Cn2cccc2)c1F 82615158 573126575 /nfs/dbraw/zinc/12/65/75/573126575.db2.gz SOWSITQSLLIULT-UHFFFAOYSA-N 0 0 193.196 2.815 10 0 AFAERN CCC(CC)CC1(CO)CC1 128851516 573126649 /nfs/dbraw/zinc/12/66/49/573126649.db2.gz PEWXFDOJJZCDHN-UHFFFAOYSA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@@H]1C(=O)C[C@H](C)C[C@@H]1C 238282117 573126671 /nfs/dbraw/zinc/12/66/71/573126671.db2.gz RDJBQHMBFKDDDF-VGMNWLOBSA-N 0 0 154.253 2.648 10 0 AFAERN C/C=C\[C@@H](O)c1c(C)oc(C)c1C 642847945 573126792 /nfs/dbraw/zinc/12/67/92/573126792.db2.gz OKHPYNHOMSYUBX-WWQCOOJYSA-N 0 0 180.247 2.814 10 0 AFAERN CC[C@@H]1C[C@H](C)C(=O)C1(C)C 238282076 573126837 /nfs/dbraw/zinc/12/68/37/573126837.db2.gz RSQOGAOGUZHYSU-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN COSC1CCCCC1 259336187 573127044 /nfs/dbraw/zinc/12/70/44/573127044.db2.gz XLHVPHXUQKGPBI-UHFFFAOYSA-N 0 0 146.255 2.614 10 0 AFAERN CSc1cccc(F)c1[C@H](C)O 82617038 573127086 /nfs/dbraw/zinc/12/70/86/573127086.db2.gz QMGXHKOSTWWTFX-LURJTMIESA-N 0 0 186.251 2.601 10 0 AFAERN Cc1ncccc1-n1c(C)ccc1C 85728420 573127165 /nfs/dbraw/zinc/12/71/65/573127165.db2.gz DZUMTVMXNSBITJ-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN CCC[C@H]1C(=O)CC[C@H]1CC 238282985 573127293 /nfs/dbraw/zinc/12/72/93/573127293.db2.gz UILPJNWHEQUWLN-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN C/C=C(\c1ccccc1)[C@H](O)CC 238282268 573127369 /nfs/dbraw/zinc/12/73/69/573127369.db2.gz HORCHDSRFUGCRO-NDZKXSSTSA-N 0 0 176.259 2.861 10 0 AFAERN C[C@H](O)c1cccc2c1SC[C@H]2C 257950645 573127384 /nfs/dbraw/zinc/12/73/84/573127384.db2.gz FEUSZOPDTKGOHJ-SFYZADRCSA-N 0 0 194.299 2.949 10 0 AFAERN CCC[C@H](C)Cn1cccc1 82615208 573127408 /nfs/dbraw/zinc/12/74/08/573127408.db2.gz GJOAFYVXSURZQW-JTQLQIEISA-N 0 0 151.253 2.924 10 0 AFAERN CCC[C@H]1c2ccccc2CC[C@@H]1O 238282356 573127453 /nfs/dbraw/zinc/12/74/53/573127453.db2.gz IMBWHZKZVDSOIC-STQMWFEESA-N 0 0 190.286 2.877 10 0 AFAERN C[C@@H](Nc1nccs1)C1(C)CC1 85733139 573127678 /nfs/dbraw/zinc/12/76/78/573127678.db2.gz GYUKIEJGYMCGPP-SSDOTTSWSA-N 0 0 182.292 2.744 10 0 AFAERN CCCc1ccc(O)cc1CC 238282526 573127696 /nfs/dbraw/zinc/12/76/96/573127696.db2.gz QNPRUDOKYFMBBQ-UHFFFAOYSA-N 0 0 164.248 2.907 10 0 AFAERN C[C@H](Cn1cccc1)c1nccs1 235476477 573127758 /nfs/dbraw/zinc/12/77/58/573127758.db2.gz HEHOFOIUPVPNJN-SECBINFHSA-N 0 0 192.287 2.748 10 0 AFAERN Cc1ccc2c(c1)[C@H]1C[C@H]1CN2 258532691 573127769 /nfs/dbraw/zinc/12/77/69/573127769.db2.gz NMUHMYKCKRANLD-IUCAKERBSA-N 0 0 159.232 2.524 10 0 AFAERN CCSc1ccc(C=O)cc1C 82612284 573127773 /nfs/dbraw/zinc/12/77/73/573127773.db2.gz NSBDBUNUDKQXLB-UHFFFAOYSA-N 0 0 180.272 2.920 10 0 AFAERN Cc1cc(F)cc(-n2cccc2)c1 85731765 573127816 /nfs/dbraw/zinc/12/78/16/573127816.db2.gz GBROGVHDNFDXHK-UHFFFAOYSA-N 0 0 175.206 2.925 10 0 AFAERN CC[C@@H]1C(=O)CCCC[C@@H]1C 238281880 573127819 /nfs/dbraw/zinc/12/78/19/573127819.db2.gz WKYFUBCJZPDMTG-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(SC(C)C)ccc1CO 82616940 573127863 /nfs/dbraw/zinc/12/78/63/573127863.db2.gz PUIMSSCJFKVAQS-UHFFFAOYSA-N 0 0 196.315 2.988 10 0 AFAERN CCSc1ccc(C=O)cc1F 82612280 573127875 /nfs/dbraw/zinc/12/78/75/573127875.db2.gz SGKQILBPUBSDOC-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN CC[C@@H](O)/C=C/C[Si](C)(C)C 238282801 573127914 /nfs/dbraw/zinc/12/79/14/573127914.db2.gz WCKXTKDIXIXSFK-XCODYQFDSA-N 0 0 172.344 2.652 10 0 AFAERN CCc1nccn1C1CCCCC1 82615359 573127930 /nfs/dbraw/zinc/12/79/30/573127930.db2.gz IEHVJIPDQZYWGB-UHFFFAOYSA-N 0 0 178.279 2.951 10 0 AFAERN CC[C@@H]1[C@H](C)C(=O)[C@@H](C)[C@@H]1C 238282854 573127996 /nfs/dbraw/zinc/12/79/96/573127996.db2.gz QLKHMSCFFVVUNI-JBDRJPRFSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H]1C[C@H](C)[C@H](CC)C[C@@H]1O 238283162 573128033 /nfs/dbraw/zinc/12/80/33/573128033.db2.gz IJFHTAJYPXKXHB-VLEAKVRGSA-N 0 0 170.296 2.830 10 0 AFAERN CCc1[nH]c(C)nc1-c1ccccc1 238282213 573128048 /nfs/dbraw/zinc/12/80/48/573128048.db2.gz GSXAMDCKJGDEKV-UHFFFAOYSA-N 0 0 186.258 2.948 10 0 AFAERN Oc1ccc2ccc(=S)oc2c1 73336871 573128071 /nfs/dbraw/zinc/12/80/71/573128071.db2.gz XUMJTYZMTAEULK-UHFFFAOYSA-N 0 0 178.212 2.868 10 0 AFAERN CCc1nccn1Cc1cccs1 82615367 573128341 /nfs/dbraw/zinc/12/83/41/573128341.db2.gz XIAGIOHFJTWOIW-UHFFFAOYSA-N 0 0 192.287 2.555 10 0 AFAERN CC(C)(O)c1cccc2c1SCC2 257949641 573128545 /nfs/dbraw/zinc/12/85/45/573128545.db2.gz AUNZFQOSMVSLIG-UHFFFAOYSA-N 0 0 194.299 2.562 10 0 AFAERN CNc1ccc2c(C)cc(F)cc2n1 85732660 573128593 /nfs/dbraw/zinc/12/85/93/573128593.db2.gz RSTINURNRUKXBU-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN O=Cc1cccc2c1CCCS2 74305855 573128609 /nfs/dbraw/zinc/12/86/09/573128609.db2.gz DCRJUIMVAMNLTM-UHFFFAOYSA-N 0 0 178.256 2.537 10 0 AFAERN CCNC(=O)C1=C(C)CCCC1(C)C 238282684 573128632 /nfs/dbraw/zinc/12/86/32/573128632.db2.gz PWQMUGLIBRXLRR-UHFFFAOYSA-N 0 0 195.306 2.649 10 0 AFAERN FC(F)Cn1ccc2ccccc21 82615131 573128659 /nfs/dbraw/zinc/12/86/59/573128659.db2.gz SFHLGUYZIYRGLC-UHFFFAOYSA-N 0 0 181.185 2.906 10 0 AFAERN CC(C)(OC(=O)C1CCC1)C1CC1 308272237 573128673 /nfs/dbraw/zinc/12/86/73/573128673.db2.gz SMVQUPRESQEXNZ-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN CCc1ccc(NC(=N)Cl)cc1 238282237 573128810 /nfs/dbraw/zinc/12/88/10/573128810.db2.gz HERUBYLZELNXHR-UHFFFAOYSA-N 0 0 182.654 2.834 10 0 AFAERN Cc1cc(C)c(C[C@H](C)CO)c(F)c1 235482529 573128856 /nfs/dbraw/zinc/12/88/56/573128856.db2.gz ZCVDHGILRYWDSF-VIFPVBQESA-N 0 0 196.265 2.613 10 0 AFAERN CSc1cccc(F)c1[C@@H](C)O 82617039 573128879 /nfs/dbraw/zinc/12/88/79/573128879.db2.gz QMGXHKOSTWWTFX-ZCFIWIBFSA-N 0 0 186.251 2.601 10 0 AFAERN CC(C)CC[C@](C)(O)C1=CCCCO1 308502296 573128948 /nfs/dbraw/zinc/12/89/48/573128948.db2.gz XCFFRLQVDHYLFI-LBPRGKRZSA-N 0 0 198.306 2.868 10 0 AFAERN CSc1ccc([C@@H](C)O)cc1F 82617031 573128957 /nfs/dbraw/zinc/12/89/57/573128957.db2.gz QIPPBXHTZLCUBA-ZCFIWIBFSA-N 0 0 186.251 2.601 10 0 AFAERN CCCc1ccc([C@@H](C)NO)cc1 131961159 573128970 /nfs/dbraw/zinc/12/89/70/573128970.db2.gz UGNGMTZLYOOTQY-SECBINFHSA-N 0 0 179.263 2.679 10 0 AFAERN CC[C@@]12CCC[C@@H]1CCC(=O)C2 238282831 573129130 /nfs/dbraw/zinc/12/91/30/573129130.db2.gz RIKRHDDUDWVKKT-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@@]12CCCC[C@H]1C(=O)CC2 238282460 573129299 /nfs/dbraw/zinc/12/92/99/573129299.db2.gz YHENTUAOCFWXBC-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc2c(C)cc(F)cc2nc1N 85732506 573129291 /nfs/dbraw/zinc/12/92/91/573129291.db2.gz MDYRNKUAORGTHX-UHFFFAOYSA-N 0 0 190.221 2.573 10 0 AFAERN CC(C)Sc1ccccc1CO 82616960 573129248 /nfs/dbraw/zinc/12/92/48/573129248.db2.gz VCCPDCCBOGQMCH-UHFFFAOYSA-N 0 0 182.288 2.679 10 0 AFAERN CC[C@]12C=CC[C@@H]1C(=O)CCC2 238282238 573129905 /nfs/dbraw/zinc/12/99/05/573129905.db2.gz VOVQTDPKMPHMCB-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@@]12CCCC(=O)[C@H]1CC2 238282219 573129338 /nfs/dbraw/zinc/12/93/38/573129338.db2.gz IVTANCOUMALGRW-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@@H]1c2ccc(N)cc2NC[C@@H]1C 238281996 573129342 /nfs/dbraw/zinc/12/93/42/573129342.db2.gz AVGBHJKERQHWAM-WPRPVWTQSA-N 0 0 190.290 2.824 10 0 AFAERN Cc1cc(F)cc(NCC(F)F)c1 85730732 573129350 /nfs/dbraw/zinc/12/93/50/573129350.db2.gz IOHQACYLGVAJIO-UHFFFAOYSA-N 0 0 189.180 2.811 10 0 AFAERN CCSc1ccccc1[C@@H](C)O 82616519 573129385 /nfs/dbraw/zinc/12/93/85/573129385.db2.gz GWNLFMZFWGDTSY-MRVPVSSYSA-N 0 0 182.288 2.852 10 0 AFAERN CCOC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C 238282389 573129394 /nfs/dbraw/zinc/12/93/94/573129394.db2.gz QHDRMRUOLQHZLX-KXUCPTDWSA-N 0 0 199.294 2.557 10 0 AFAERN CCN1Sc2ccccc2NC1=O 238282006 573129530 /nfs/dbraw/zinc/12/95/30/573129530.db2.gz HUIDBRBLAQVRIB-UHFFFAOYSA-N 0 0 194.259 2.561 10 0 AFAERN Cc1nc(-c2cccs2)c(C)[nH]1 258533217 573129552 /nfs/dbraw/zinc/12/95/52/573129552.db2.gz INCDIWWPISXJKP-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN CC[C@H](C)c1cnc(Cl)cn1 238282128 573129569 /nfs/dbraw/zinc/12/95/69/573129569.db2.gz WUCZBBZMPITAEC-LURJTMIESA-N 0 0 170.643 2.644 10 0 AFAERN CC[C@@]12CCCC[C@@H]1C(=O)CC2 238282372 573129621 /nfs/dbraw/zinc/12/96/21/573129621.db2.gz YHENTUAOCFWXBC-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C 238282171 573129642 /nfs/dbraw/zinc/12/96/42/573129642.db2.gz RDJBQHMBFKDDDF-CIUDSAMLSA-N 0 0 154.253 2.648 10 0 AFAERN CCOC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C 238282122 573129644 /nfs/dbraw/zinc/12/96/44/573129644.db2.gz QHDRMRUOLQHZLX-LPEHRKFASA-N 0 0 199.294 2.557 10 0 AFAERN CCc1ccc(F)c(CC(C)=O)c1F 257949658 573129679 /nfs/dbraw/zinc/12/96/79/573129679.db2.gz AUWDOZSLPMADRG-UHFFFAOYSA-N 0 0 198.212 2.659 10 0 AFAERN CCOC(=O)Nc1cc(C)cc(F)c1 85732745 573129703 /nfs/dbraw/zinc/12/97/03/573129703.db2.gz TUSNXFSTVVSDOQ-UHFFFAOYSA-N 0 0 197.209 2.703 10 0 AFAERN CCC(CC)CC1(CO)CCC1 128851084 573129791 /nfs/dbraw/zinc/12/97/91/573129791.db2.gz ARALMFDWXGKPEL-UHFFFAOYSA-N 0 0 170.296 2.975 10 0 AFAERN CCc1cncc([C@@H](C)CC)n1 238282282 573129797 /nfs/dbraw/zinc/12/97/97/573129797.db2.gz AMVHQSAKDUBBEV-QMMMGPOBSA-N 0 0 164.252 2.553 10 0 AFAERN CC[C@@]12CC[C@@H](C1)C(C)(C)C2=O 238283038 573129805 /nfs/dbraw/zinc/12/98/05/573129805.db2.gz MPFDIEXRWPNERF-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)c1sc(N)nc1C1CC1 257949317 573129839 /nfs/dbraw/zinc/12/98/39/573129839.db2.gz VZJBYTSTMMTPOW-UHFFFAOYSA-N 0 0 182.292 2.726 10 0 AFAERN C/C=C\[C@H](O)c1c(C)oc(C)c1C 642847943 573129885 /nfs/dbraw/zinc/12/98/85/573129885.db2.gz OKHPYNHOMSYUBX-OMMCCPJFSA-N 0 0 180.247 2.814 10 0 AFAERN CC(C)(c1ccc(O)cc1)C(F)F 257949229 573129896 /nfs/dbraw/zinc/12/98/96/573129896.db2.gz VXDGZRNLTINGLK-UHFFFAOYSA-N 0 0 186.201 2.935 10 0 AFAERN CC[C@H](C)c1cnc(=S)[nH]c1 238281979 573129965 /nfs/dbraw/zinc/12/99/65/573129965.db2.gz NVOPNONBMCIZIW-LURJTMIESA-N 0 0 168.265 2.653 10 0 AFAERN CC[C@]12C=CC[C@H]1C(=O)CCC2 238282186 573130116 /nfs/dbraw/zinc/13/01/16/573130116.db2.gz VOVQTDPKMPHMCB-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN c1cnc2c(c1)ccc1occc12 114843321 573130146 /nfs/dbraw/zinc/13/01/46/573130146.db2.gz NBIQERZFHYWUCH-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN CCC[C@@H](C)Cn1cccc1 82615207 573130200 /nfs/dbraw/zinc/13/02/00/573130200.db2.gz GJOAFYVXSURZQW-SNVBAGLBSA-N 0 0 151.253 2.924 10 0 AFAERN CCc1cc(F)c(F)c(CC(C)=O)c1 257949668 573130209 /nfs/dbraw/zinc/13/02/09/573130209.db2.gz AVISNEVOSZYZDQ-UHFFFAOYSA-N 0 0 198.212 2.659 10 0 AFAERN C/C=C/[C@H](O)c1c(C)oc(C)c1C 642847944 573131241 /nfs/dbraw/zinc/13/12/41/573131241.db2.gz OKHPYNHOMSYUBX-PORFMDCZSA-N 0 0 180.247 2.814 10 0 AFAERN CC(C)(C(=O)OC1CCC1)C1CC1 308273392 573130349 /nfs/dbraw/zinc/13/03/49/573130349.db2.gz UAXCGJXSNJOGLG-UHFFFAOYSA-N 0 0 182.263 2.518 10 0 AFAERN CCC[C@H]1c2ccccc2CC[C@H]1O 238283217 573130388 /nfs/dbraw/zinc/13/03/88/573130388.db2.gz IMBWHZKZVDSOIC-QWHCGFSZSA-N 0 0 190.286 2.877 10 0 AFAERN CCC[C@@H]1CC(=C(C)C)[C@H](O)C1 238281721 573130435 /nfs/dbraw/zinc/13/04/35/573130435.db2.gz LTXGXFBIVNNLNT-MWLCHTKSSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H](/C=C(/C)CO)C(C)C 238282195 573130608 /nfs/dbraw/zinc/13/06/08/573130608.db2.gz MTZGJLOUCYJKIV-ABRRARGCSA-N 0 0 156.269 2.607 10 0 AFAERN CC[C@@H]1[C@H](C)c2ccccc2[C@@H]1O 238281332 573130630 /nfs/dbraw/zinc/13/06/30/573130630.db2.gz QIJRAWPCBGJGCA-YGOYTEALSA-N 0 0 176.259 2.863 10 0 AFAERN CC[C@@H]1C(C(C)(C)O)=CC[C@@H]1C 238281782 573130730 /nfs/dbraw/zinc/13/07/30/573130730.db2.gz AORZPUMYQIXLSZ-IUCAKERBSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@@H](O)/C=C(/C)c1ccccc1 238282539 573130751 /nfs/dbraw/zinc/13/07/51/573130751.db2.gz YLJDMBAODXAXSN-ZWLSGLHFSA-N 0 0 176.259 2.861 10 0 AFAERN CC[C@](C)(Cl)[C@@H](C)C(C)=O 238282200 573130849 /nfs/dbraw/zinc/13/08/49/573130849.db2.gz GGLSFFRPKHTEJF-XPUUQOCRSA-N 0 0 162.660 2.619 10 0 AFAERN CC[C@@]12CCC[C@H]1CCC(=O)C2 238282954 573130988 /nfs/dbraw/zinc/13/09/88/573130988.db2.gz RIKRHDDUDWVKKT-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CCC[C@H]1C(=O)CC[C@@H]1CC 238281935 573131002 /nfs/dbraw/zinc/13/10/02/573131002.db2.gz UILPJNWHEQUWLN-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN COc1ccc(C)c2c1[C@H](C)C[C@@H]2O 82618506 573131035 /nfs/dbraw/zinc/13/10/35/573131035.db2.gz NAPONBXQGOPIJX-BDAKNGLRSA-N 0 0 192.258 2.544 10 0 AFAERN CC1(Cn2cnnc2Cl)CCCC1 82625765 573131076 /nfs/dbraw/zinc/13/10/76/573131076.db2.gz MZOXYNUHWDDKBP-UHFFFAOYSA-N 0 0 199.685 2.512 10 0 AFAERN CC1(C)CCc2cc(F)ccc2O1 141943121 573131086 /nfs/dbraw/zinc/13/10/86/573131086.db2.gz PCPPNTHZXUNTHC-UHFFFAOYSA-N 0 0 180.222 2.929 10 0 AFAERN Cc1ccc(C)c2c1[C@@H](C)C[C@H]2O 82618414 573131089 /nfs/dbraw/zinc/13/10/89/573131089.db2.gz MGGHKRNUJBXLRM-VHSXEESVSA-N 0 0 176.259 2.844 10 0 AFAERN CC[C@]12CCCC(=O)[C@@H]1CCC2 238282941 573131139 /nfs/dbraw/zinc/13/11/39/573131139.db2.gz XDJCLNJQOKLEIU-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN CC[C@@H](O)[C@@]1(C)CC=CCC1 238281898 573131146 /nfs/dbraw/zinc/13/11/46/573131146.db2.gz AIQHEZBFQNAGSB-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@@H]1C[C@H](CO)C[Si](C)(C)C1 238282816 573131307 /nfs/dbraw/zinc/13/13/07/573131307.db2.gz BZSYILOVMXYMOO-NXEZZACHSA-N 0 0 186.371 2.733 10 0 AFAERN C[C@@H]1CCc2csc(C=O)c2C1 74303023 573131456 /nfs/dbraw/zinc/13/14/56/573131456.db2.gz ABHDUOKODIYUDB-SSDOTTSWSA-N 0 0 180.272 2.685 10 0 AFAERN C[C@@H]1C[C@H](O)c2cc(F)cc(F)c21 82618491 573131491 /nfs/dbraw/zinc/13/14/91/573131491.db2.gz ZBWNHNYMODELAM-ANLVUFKYSA-N 0 0 184.185 2.505 10 0 AFAERN Cc1ccc2c(c1)[C@@H]1C[C@@H]1CN2 258532694 573131495 /nfs/dbraw/zinc/13/14/95/573131495.db2.gz NMUHMYKCKRANLD-RKDXNWHRSA-N 0 0 159.232 2.524 10 0 AFAERN O[C@@H]1C[C@@H]2CCCCc3cccc1c32 82618471 573131699 /nfs/dbraw/zinc/13/16/99/573131699.db2.gz ZJQHISWGGBWENG-CMPLNLGQSA-N 0 0 188.270 2.934 10 0 AFAERN CCc1ccc2c(c1)[C@H](O)C[C@H]2C 82618501 573131725 /nfs/dbraw/zinc/13/17/25/573131725.db2.gz WJUCQHKDBLTUCZ-PRHODGIISA-N 0 0 176.259 2.790 10 0 AFAERN C[C@H](Nc1nccs1)C1(C)CC1 85733134 573131763 /nfs/dbraw/zinc/13/17/63/573131763.db2.gz GYUKIEJGYMCGPP-ZETCQYMHSA-N 0 0 182.292 2.744 10 0 AFAERN C[C@@H]1CC(=O)c2cc(F)cc(F)c21 82617862 573131807 /nfs/dbraw/zinc/13/18/07/573131807.db2.gz FUAHZCYKRPGSMT-RXMQYKEDSA-N 0 0 182.169 2.655 10 0 AFAERN Cc1nc(N)ccc1-c1ccsc1 85729288 573131917 /nfs/dbraw/zinc/13/19/17/573131917.db2.gz VCWQNXNYEDDPDO-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC[C@@H]1C[C@@H](O)c2cc(F)ccc21 82618421 573131963 /nfs/dbraw/zinc/13/19/63/573131963.db2.gz MSYOYZNBACCILF-RDDDGLTNSA-N 0 0 180.222 2.756 10 0 AFAERN CCN(CC)C(=O)C[C@@H](C)C(C)(C)C 82618878 573131985 /nfs/dbraw/zinc/13/19/85/573131985.db2.gz WLDNJIWVBIBVGM-SNVBAGLBSA-N 0 0 199.338 2.927 10 0 AFAERN Cc1ccc2c(c1)[C@H](O)C[C@@H]2C 82618479 573132022 /nfs/dbraw/zinc/13/20/22/573132022.db2.gz QHWAJMDIMOKSBJ-GZMMTYOYSA-N 0 0 162.232 2.536 10 0 AFAERN CC[C@H]1C[C@H](O)c2cc(C)ccc21 82618444 573132029 /nfs/dbraw/zinc/13/20/29/573132029.db2.gz MVDYHZYKRDCXSB-CABZTGNLSA-N 0 0 176.259 2.926 10 0 AFAERN C=Cc1ccc(N)cc1C=C 104655970 573132037 /nfs/dbraw/zinc/13/20/37/573132037.db2.gz XSMBRCZAGCQRRO-UHFFFAOYSA-N 0 0 145.205 2.555 10 0 AFAERN Cc1ccc(C)c2c1[C@@H](O)C[C@H]2C 82618411 573132069 /nfs/dbraw/zinc/13/20/69/573132069.db2.gz MGGHKRNUJBXLRM-ZJUUUORDSA-N 0 0 176.259 2.844 10 0 AFAERN Cc1ccc(C)c2c1[C@@H](C)C[C@@H]2O 82618412 573132106 /nfs/dbraw/zinc/13/21/06/573132106.db2.gz MGGHKRNUJBXLRM-UWVGGRQHSA-N 0 0 176.259 2.844 10 0 AFAERN CC[C@@H]1C[C@H](O)c2cc(OC)ccc21 82618507 573132145 /nfs/dbraw/zinc/13/21/45/573132145.db2.gz ANZCAOGXKHBGEG-PELKAZGASA-N 0 0 192.258 2.626 10 0 AFAERN C[C@H]1C[C@@H](O)c2c(F)ccc(F)c21 82618442 573132147 /nfs/dbraw/zinc/13/21/47/573132147.db2.gz VLNCFEDGTSGRLG-YLWLKBPMSA-N 0 0 184.185 2.505 10 0 AFAERN C[C@H](CC1(O)CC1)C(C)(C)C 82628835 573132156 /nfs/dbraw/zinc/13/21/56/573132156.db2.gz OPJHVUGTONNMSC-MRVPVSSYSA-N 0 0 156.269 2.584 10 0 AFAERN CCOc1cccc2c1[C@H](C)C[C@H]2O 82618417 573132163 /nfs/dbraw/zinc/13/21/63/573132163.db2.gz UQZGJSJDWQIMOW-PSASIEDQSA-N 0 0 192.258 2.626 10 0 AFAERN CCCc1ccc([C@H](C)NO)cc1 131961369 573132176 /nfs/dbraw/zinc/13/21/76/573132176.db2.gz UGNGMTZLYOOTQY-VIFPVBQESA-N 0 0 179.263 2.679 10 0 AFAERN COc1ccc(C)c2c1[C@H](C)C[C@H]2O 82618505 573132220 /nfs/dbraw/zinc/13/22/20/573132220.db2.gz NAPONBXQGOPIJX-RKDXNWHRSA-N 0 0 192.258 2.544 10 0 AFAERN Oc1ccc(F)c2sccc12 114831592 573132181 /nfs/dbraw/zinc/13/21/81/573132181.db2.gz BKJHGHBYODFXSR-UHFFFAOYSA-N 0 0 168.192 2.746 10 0 AFAERN CCc1ccc2c(c1)[C@@H](O)C[C@H]2C 82618502 573132182 /nfs/dbraw/zinc/13/21/82/573132182.db2.gz WJUCQHKDBLTUCZ-PELKAZGASA-N 0 0 176.259 2.790 10 0 AFAERN O=C(OC1CC=CC1)c1ccccc1 141900965 573132189 /nfs/dbraw/zinc/13/21/89/573132189.db2.gz SYXOLCRDDVKIAM-UHFFFAOYSA-N 0 0 188.226 2.562 10 0 AFAERN Cc1c(C[C@@H](C)C(C)(C)C)noc1N 82628424 573132292 /nfs/dbraw/zinc/13/22/92/573132292.db2.gz OBSVJRKEGPVRIX-SSDOTTSWSA-N 0 0 196.294 2.790 10 0 AFAERN C=C(C)c1cncc(Cl)c1 141951185 573132302 /nfs/dbraw/zinc/13/23/02/573132302.db2.gz WGFGLHXUCABKIK-UHFFFAOYSA-N 0 0 153.612 2.768 10 0 AFAERN CC[C@@H]1C[C@H](O)c2cc(F)ccc21 82618419 573132303 /nfs/dbraw/zinc/13/23/03/573132303.db2.gz MSYOYZNBACCILF-HQJQHLMTSA-N 0 0 180.222 2.756 10 0 AFAERN CSc1cscc1C 141937885 573132333 /nfs/dbraw/zinc/13/23/33/573132333.db2.gz WFMKNCMMXOVJMS-UHFFFAOYSA-N 0 0 144.264 2.778 10 0 AFAERN COc1ccc(C)c(C)c1C(C)(C)O 257951737 573132341 /nfs/dbraw/zinc/13/23/41/573132341.db2.gz AZPZGCIWSTZHSK-UHFFFAOYSA-N 0 0 194.274 2.539 10 0 AFAERN C[C@H]1CC(=O)c2cc(F)cc(F)c21 82617863 573132342 /nfs/dbraw/zinc/13/23/42/573132342.db2.gz FUAHZCYKRPGSMT-YFKPBYRVSA-N 0 0 182.169 2.655 10 0 AFAERN C[C@H]1C[C@@H](O)c2cc(F)cc(F)c21 82618494 573132365 /nfs/dbraw/zinc/13/23/65/573132365.db2.gz ZBWNHNYMODELAM-SSDLBLMSSA-N 0 0 184.185 2.505 10 0 AFAERN O[C@H]1C[C@H]2CCCCc3cccc1c32 82618474 573132422 /nfs/dbraw/zinc/13/24/22/573132422.db2.gz ZJQHISWGGBWENG-PWSUYJOCSA-N 0 0 188.270 2.934 10 0 AFAERN CC[C@@H]1C[C@H]1c1cscc1N 238283460 573132452 /nfs/dbraw/zinc/13/24/52/573132452.db2.gz LUUNSNYJFIRDTB-RNFRBKRXSA-N 0 0 167.277 2.844 10 0 AFAERN Cc1ccc2c(c1)[C@H](O)C[C@H]2C 82618481 573132491 /nfs/dbraw/zinc/13/24/91/573132491.db2.gz QHWAJMDIMOKSBJ-LDYMZIIASA-N 0 0 162.232 2.536 10 0 AFAERN CCOc1ccc2c(c1)[C@H](O)C[C@@H]2C 82618535 573132520 /nfs/dbraw/zinc/13/25/20/573132520.db2.gz OLXUXUHXDZSOHY-QPUJVOFHSA-N 0 0 192.258 2.626 10 0 AFAERN CC[C@H](C)Nc1cccc(NC)c1 238284286 573132534 /nfs/dbraw/zinc/13/25/34/573132534.db2.gz HBAOHHWNFACXPE-VIFPVBQESA-N 0 0 178.279 2.939 10 0 AFAERN CC[C@H](C)Nc1ccc([C@H](C)O)cc1 238284258 573132543 /nfs/dbraw/zinc/13/25/43/573132543.db2.gz WIUANAWEWBPAGH-UWVGGRQHSA-N 0 0 193.290 2.950 10 0 AFAERN COc1ccc(C)c2c1[C@@H](C)C[C@@H]2O 82618504 573132572 /nfs/dbraw/zinc/13/25/72/573132572.db2.gz NAPONBXQGOPIJX-IUCAKERBSA-N 0 0 192.258 2.544 10 0 AFAERN Cc1c(C[C@H](C)C(C)(C)C)noc1N 82628425 573132586 /nfs/dbraw/zinc/13/25/86/573132586.db2.gz OBSVJRKEGPVRIX-ZETCQYMHSA-N 0 0 196.294 2.790 10 0 AFAERN CCCc1ccc(SC)cc1N 238284200 573132605 /nfs/dbraw/zinc/13/26/05/573132605.db2.gz GYCXUFYOMVYXHL-UHFFFAOYSA-N 0 0 181.304 2.943 10 0 AFAERN CCOc1cccc2c1[C@H](C)C[C@@H]2O 82618415 573132645 /nfs/dbraw/zinc/13/26/45/573132645.db2.gz UQZGJSJDWQIMOW-SCZZXKLOSA-N 0 0 192.258 2.626 10 0 AFAERN C[C@@H]1C[C@H](O)c2c(F)ccc(F)c21 82618439 573132747 /nfs/dbraw/zinc/13/27/47/573132747.db2.gz VLNCFEDGTSGRLG-XRGYYRRGSA-N 0 0 184.185 2.505 10 0 AFAERN CONCc1cc(C(C)C)ccc1C 257951708 573132815 /nfs/dbraw/zinc/13/28/15/573132815.db2.gz AYALIALRLYOYBT-UHFFFAOYSA-N 0 0 193.290 2.769 10 0 AFAERN CC1(C)CSc2c(N)cccc2N1 259339706 573132837 /nfs/dbraw/zinc/13/28/37/573132837.db2.gz SXQOUIPAQNNNFV-UHFFFAOYSA-N 0 0 194.303 2.565 10 0 AFAERN CC(C)(C)[C@]1(C)C=CC=C[C@H]1O 141908782 573132853 /nfs/dbraw/zinc/13/28/53/573132853.db2.gz ZPRWCDITPUGNOB-MWLCHTKSSA-N 0 0 166.264 2.526 10 0 AFAERN C[C@@H]1C[C@@H](O)c2c(F)ccc(F)c21 82618441 573132863 /nfs/dbraw/zinc/13/28/63/573132863.db2.gz VLNCFEDGTSGRLG-SVGQVSJJSA-N 0 0 184.185 2.505 10 0 AFAERN CC[C@H]1C[C@H](O)c2cc(OC)ccc21 82618508 573132885 /nfs/dbraw/zinc/13/28/85/573132885.db2.gz ANZCAOGXKHBGEG-UFBFGSQYSA-N 0 0 192.258 2.626 10 0 AFAERN CC1(CCOC(=O)C(C)(C)C)CC1 308279095 573132897 /nfs/dbraw/zinc/13/28/97/573132897.db2.gz WIKCLYXCJXKNTQ-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC[C@@H]1C[C@H]1c1ccccc1N 238283418 573132907 /nfs/dbraw/zinc/13/29/07/573132907.db2.gz DJQUYFFDZIVACA-PSASIEDQSA-N 0 0 161.248 2.782 10 0 AFAERN CC[C@@H]1C[C@H]1c1ccsc1N 238283444 573132947 /nfs/dbraw/zinc/13/29/47/573132947.db2.gz LEMVUJRLXNHXCZ-HTRCEHHLSA-N 0 0 167.277 2.844 10 0 AFAERN CC(=O)NC1=CC[C@H](C(C)(C)C)CC1 141904496 573132965 /nfs/dbraw/zinc/13/29/65/573132965.db2.gz RZFHINCNYINLHI-JTQLQIEISA-N 0 0 195.306 2.853 10 0 AFAERN CC[C@@H]1C[C@@H](O)c2cc(C)ccc21 82618445 573132974 /nfs/dbraw/zinc/13/29/74/573132974.db2.gz MVDYHZYKRDCXSB-BXKDBHETSA-N 0 0 176.259 2.926 10 0 AFAERN Cc1ccc2c(c1)[C@@H](O)C[C@H]2C 82618482 573132983 /nfs/dbraw/zinc/13/29/83/573132983.db2.gz QHWAJMDIMOKSBJ-KCJUWKMLSA-N 0 0 162.232 2.536 10 0 AFAERN CC[C@H]1C(=O)CC2=C1CCCC2 238283845 573133037 /nfs/dbraw/zinc/13/30/37/573133037.db2.gz WXPCFINVYKZMBO-SECBINFHSA-N 0 0 164.248 2.856 10 0 AFAERN CC(C)(O)c1ccc2occc2c1 257952121 573133073 /nfs/dbraw/zinc/13/30/73/573133073.db2.gz FUCATDLVBWMJAI-UHFFFAOYSA-N 0 0 176.215 2.660 10 0 AFAERN CC[C@H]1C[C@@H](O)c2cc(OC)ccc21 82618510 573133166 /nfs/dbraw/zinc/13/31/66/573133166.db2.gz ANZCAOGXKHBGEG-QPUJVOFHSA-N 0 0 192.258 2.626 10 0 AFAERN CCSc1cc(OC)ccc1O 238298939 573133282 /nfs/dbraw/zinc/13/32/82/573133282.db2.gz BVVCYBKGIOZPFL-UHFFFAOYSA-N 0 0 184.260 2.513 10 0 AFAERN CC[C@H]1C(=O)CCC2=C1CCC2 238283874 573133314 /nfs/dbraw/zinc/13/33/14/573133314.db2.gz YMYILJLMEWJQFQ-SECBINFHSA-N 0 0 164.248 2.856 10 0 AFAERN CCOc1cccc2c1[C@@H](C)CC2=O 82617859 573133336 /nfs/dbraw/zinc/13/33/36/573133336.db2.gz DFBUUDLBYZZHJH-QMMMGPOBSA-N 0 0 190.242 2.775 10 0 AFAERN CC[C@H]1C(=O)C(C)(C)C1(C)C 238283596 573133371 /nfs/dbraw/zinc/13/33/71/573133371.db2.gz WBKMOUGIRILHID-ZETCQYMHSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)=CCOC(=O)/C=C\C(C)C 308280283 573133403 /nfs/dbraw/zinc/13/34/03/573133403.db2.gz WTZOQTBUNNTUFG-WAYWQWQTSA-N 0 0 182.263 2.708 10 0 AFAERN CC[C@@H]1C[C@@H](O)c2cc(OC)ccc21 82618509 573133476 /nfs/dbraw/zinc/13/34/76/573133476.db2.gz ANZCAOGXKHBGEG-PRHODGIISA-N 0 0 192.258 2.626 10 0 AFAERN CC[C@H]1C[C@@H](O)c2cc(F)ccc21 82618422 573133559 /nfs/dbraw/zinc/13/35/59/573133559.db2.gz MSYOYZNBACCILF-WRWORJQWSA-N 0 0 180.222 2.756 10 0 AFAERN COC(C)(C)c1ccccc1[C@H](C)O 259336815 573133600 /nfs/dbraw/zinc/13/36/00/573133600.db2.gz FLYOIVJBYVXKIX-VIFPVBQESA-N 0 0 194.274 2.621 10 0 AFAERN CCOc1cccc2c1[C@@H](C)C[C@@H]2O 82618416 573133611 /nfs/dbraw/zinc/13/36/11/573133611.db2.gz UQZGJSJDWQIMOW-WPRPVWTQSA-N 0 0 192.258 2.626 10 0 AFAERN C[C@H]1C[C@H](O)c2c(F)ccc(F)c21 82618440 573133655 /nfs/dbraw/zinc/13/36/55/573133655.db2.gz VLNCFEDGTSGRLG-XNCJUZBTSA-N 0 0 184.185 2.505 10 0 AFAERN COc1cc(N)cc2cc(C)ccc12 257951800 573133692 /nfs/dbraw/zinc/13/36/92/573133692.db2.gz WGRWENUEPJXMDG-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN Cc1cc(C2CC2)ccc1O 114865388 573133757 /nfs/dbraw/zinc/13/37/57/573133757.db2.gz KZBATLCITBKKFP-UHFFFAOYSA-N 0 0 148.205 2.578 10 0 AFAERN CCOc1ccc2c(c1)[C@H](O)C[C@H]2C 82618537 573133782 /nfs/dbraw/zinc/13/37/82/573133782.db2.gz OLXUXUHXDZSOHY-PRHODGIISA-N 0 0 192.258 2.626 10 0 AFAERN COCc1cc2cccc(O)c2s1 257952566 573133796 /nfs/dbraw/zinc/13/37/96/573133796.db2.gz XELOICIFPMDAHU-UHFFFAOYSA-N 0 0 194.255 2.753 10 0 AFAERN CCc1ccc2c(c1)[C@@H](O)C[C@@H]2C 82618500 573133844 /nfs/dbraw/zinc/13/38/44/573133844.db2.gz WJUCQHKDBLTUCZ-UFBFGSQYSA-N 0 0 176.259 2.790 10 0 AFAERN CC(=O)NC1=CC[C@@H](C(C)(C)C)CC1 141904704 573134036 /nfs/dbraw/zinc/13/40/36/573134036.db2.gz RZFHINCNYINLHI-SNVBAGLBSA-N 0 0 195.306 2.853 10 0 AFAERN OC1(c2cccc(Cl)c2)CCC1 85754322 573134055 /nfs/dbraw/zinc/13/40/55/573134055.db2.gz MJPYTNUCFDHYJS-UHFFFAOYSA-N 0 0 182.650 2.712 10 0 AFAERN O[C@H]1C[C@@H]2CCCCc3cccc1c32 82618472 573134061 /nfs/dbraw/zinc/13/40/61/573134061.db2.gz ZJQHISWGGBWENG-JQWIXIFHSA-N 0 0 188.270 2.934 10 0 AFAERN CCOc1cccc2c1[C@@H](C)C[C@H]2O 82618418 573134096 /nfs/dbraw/zinc/13/40/96/573134096.db2.gz UQZGJSJDWQIMOW-WCBMZHEXSA-N 0 0 192.258 2.626 10 0 AFAERN OC[C@@H](F)CC1CCCCCC1 257951880 573134105 /nfs/dbraw/zinc/13/41/05/573134105.db2.gz WINUWFSCIDYKQS-JTQLQIEISA-N 0 0 174.259 2.677 10 0 AFAERN CCc1nc(N)sc1[C@@H](C)CC 238283749 573134156 /nfs/dbraw/zinc/13/41/56/573134156.db2.gz CVEMPSBNFDJRJF-LURJTMIESA-N 0 0 184.308 2.801 10 0 AFAERN CC[C@H]1C[C@H](O)c2cc(F)ccc21 82618420 573134237 /nfs/dbraw/zinc/13/42/37/573134237.db2.gz MSYOYZNBACCILF-CPCISQLKSA-N 0 0 180.222 2.756 10 0 AFAERN COc1cc(C)ccc1OC(C)C 141948583 573134263 /nfs/dbraw/zinc/13/42/63/573134263.db2.gz LTGLIJBGBCBZRZ-UHFFFAOYSA-N 0 0 180.247 2.791 10 0 AFAERN C[C@H](O)c1ccc2sccc2c1O 257951718 573134300 /nfs/dbraw/zinc/13/43/00/573134300.db2.gz AYQACZKTFPKWIK-LURJTMIESA-N 0 0 194.255 2.660 10 0 AFAERN CCOc1ccc2c(c1)[C@@H](O)C[C@@H]2C 82618536 573134386 /nfs/dbraw/zinc/13/43/86/573134386.db2.gz OLXUXUHXDZSOHY-UFBFGSQYSA-N 0 0 192.258 2.626 10 0 AFAERN C[C@@H](CC1(O)CC1)C(C)(C)C 82628834 573134415 /nfs/dbraw/zinc/13/44/15/573134415.db2.gz OPJHVUGTONNMSC-QMMMGPOBSA-N 0 0 156.269 2.584 10 0 AFAERN COc1cccc2occ(C)c12 114840641 573134424 /nfs/dbraw/zinc/13/44/24/573134424.db2.gz HFPWQSZSVSPNMU-UHFFFAOYSA-N 0 0 162.188 2.750 10 0 AFAERN CC1(Cn2cn[nH]c2=S)CCCC1 82625633 573134458 /nfs/dbraw/zinc/13/44/58/573134458.db2.gz ZQFSCAIRBUCLBC-UHFFFAOYSA-N 0 0 197.307 2.521 10 0 AFAERN CCCCCC=C=C[C@@H](C)OC(N)=O 308280388 573134508 /nfs/dbraw/zinc/13/45/08/573134508.db2.gz XQFNNPMCCNNDFW-LHIURRSHSA-N 0 0 197.278 2.762 10 0 AFAERN Cc1ccc(C)c2c1[C@H](C)C[C@H]2O 82618413 573134511 /nfs/dbraw/zinc/13/45/11/573134511.db2.gz MGGHKRNUJBXLRM-NXEZZACHSA-N 0 0 176.259 2.844 10 0 AFAERN C[C@@H](O)c1ccc2sccc2c1O 257951719 573134607 /nfs/dbraw/zinc/13/46/07/573134607.db2.gz AYQACZKTFPKWIK-ZCFIWIBFSA-N 0 0 194.255 2.660 10 0 AFAERN CC[C@H](C)Nc1ncc(C(C)=O)s1 238284497 573134629 /nfs/dbraw/zinc/13/46/29/573134629.db2.gz PKOKHHUWQRSBET-LURJTMIESA-N 0 0 198.291 2.556 10 0 AFAERN O[C@@H]1C[C@H]2CCCCc3cccc1c32 82618473 573134640 /nfs/dbraw/zinc/13/46/40/573134640.db2.gz ZJQHISWGGBWENG-ZYHUDNBSSA-N 0 0 188.270 2.934 10 0 AFAERN CCc1ccc2c(c1)[C@H](O)C[C@@H]2C 82618499 573134659 /nfs/dbraw/zinc/13/46/59/573134659.db2.gz WJUCQHKDBLTUCZ-QPUJVOFHSA-N 0 0 176.259 2.790 10 0 AFAERN C[C@@H]1C[C@@H](O)c2cc(F)cc(F)c21 82618493 573134673 /nfs/dbraw/zinc/13/46/73/573134673.db2.gz ZBWNHNYMODELAM-MLUIRONXSA-N 0 0 184.185 2.505 10 0 AFAERN CC(C)(C)[C@@]1(C)C=CC=C[C@@H]1O 141908183 573134714 /nfs/dbraw/zinc/13/47/14/573134714.db2.gz ZPRWCDITPUGNOB-ONGXEEELSA-N 0 0 166.264 2.526 10 0 AFAERN CCOc1ccc2c(c1)C(=O)C[C@@H]2C 82617878 573134723 /nfs/dbraw/zinc/13/47/23/573134723.db2.gz QARYBYNRYQSEDW-QMMMGPOBSA-N 0 0 190.242 2.775 10 0 AFAERN CC(C)=CCOC(=O)/C=C/C(C)C 308280282 573134795 /nfs/dbraw/zinc/13/47/95/573134795.db2.gz WTZOQTBUNNTUFG-AATRIKPKSA-N 0 0 182.263 2.708 10 0 AFAERN CC[C@@H]1C[C@H]1c1cccc(O)c1 238283402 573134804 /nfs/dbraw/zinc/13/48/04/573134804.db2.gz BRNFSYRGAFFAIM-LDYMZIIASA-N 0 0 162.232 2.906 10 0 AFAERN CCOc1ccc2c(c1)[C@@H](O)C[C@H]2C 82618538 573135259 /nfs/dbraw/zinc/13/52/59/573135259.db2.gz OLXUXUHXDZSOHY-PELKAZGASA-N 0 0 192.258 2.626 10 0 AFAERN CC[C@H]1C[C@@H](O)c2cc(C)ccc21 82618446 573135255 /nfs/dbraw/zinc/13/52/55/573135255.db2.gz MVDYHZYKRDCXSB-JOYOIKCWSA-N 0 0 176.259 2.926 10 0 AFAERN C[C@H]1C[C@H](O)c2cc(F)cc(F)c21 82618492 573135265 /nfs/dbraw/zinc/13/52/65/573135265.db2.gz ZBWNHNYMODELAM-CDUCUWFYSA-N 0 0 184.185 2.505 10 0 AFAERN Cc1cn(C)c(Oc2ccccc2)n1 257952760 573135303 /nfs/dbraw/zinc/13/53/03/573135303.db2.gz XGWPGOIWPSDJCO-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN COC(C)(C)c1ccccc1[C@@H](C)O 259336813 573135407 /nfs/dbraw/zinc/13/54/07/573135407.db2.gz FLYOIVJBYVXKIX-SECBINFHSA-N 0 0 194.274 2.621 10 0 AFAERN Oc1ccc(F)c2ccsc12 114830863 573135550 /nfs/dbraw/zinc/13/55/50/573135550.db2.gz AOUGYXBAOFEUPO-UHFFFAOYSA-N 0 0 168.192 2.746 10 0 AFAERN CC(C)Cc1oc(N)nc1C(C)C 258536460 573135648 /nfs/dbraw/zinc/13/56/48/573135648.db2.gz HTROCVVSUXPREU-UHFFFAOYSA-N 0 0 182.267 2.579 10 0 AFAERN CC[C@@]12CC[C@@]1(C)CCC2=O 238283314 573135704 /nfs/dbraw/zinc/13/57/04/573135704.db2.gz CEIOUPBJHRFWRU-ZJUUUORDSA-N 0 0 152.237 2.546 10 0 AFAERN CC1=CCNc2ccccc2C1=O 141946918 573135836 /nfs/dbraw/zinc/13/58/36/573135836.db2.gz ACFBXAKNCPKFFQ-UHFFFAOYSA-N 0 0 173.215 2.915 10 0 AFAERN CC[C@@H]1C[C@H]2CCC[C@@](CO)(C1)C2 238283505 573135844 /nfs/dbraw/zinc/13/58/44/573135844.db2.gz ZWEYXUKDNSUPSL-IJLUTSLNSA-N 0 0 182.307 2.975 10 0 AFAERN CC1(C)CSc2ccccc2[C@H]1O 141958698 573135847 /nfs/dbraw/zinc/13/58/47/573135847.db2.gz WVVCLANUMAHAOQ-SNVBAGLBSA-N 0 0 194.299 2.852 10 0 AFAERN CC[C@@H]1C[C@H]1c1ccccc1O 238283432 573135874 /nfs/dbraw/zinc/13/58/74/573135874.db2.gz GIFSCXSWLCFZRI-PSASIEDQSA-N 0 0 162.232 2.906 10 0 AFAERN CC[C@@H]1C[C@H]1c1sccc1N 238283475 573135989 /nfs/dbraw/zinc/13/59/89/573135989.db2.gz AIABBVWCTKNQQC-RNFRBKRXSA-N 0 0 167.277 2.844 10 0 AFAERN Cc1cc(F)ccc1C1(O)CCC1 85754272 573135998 /nfs/dbraw/zinc/13/59/98/573135998.db2.gz YQSOHJAHIAFINP-UHFFFAOYSA-N 0 0 180.222 2.506 10 0 AFAERN CC[C@@H]1C[C@](C)(CC)CC1=O 238283927 573136015 /nfs/dbraw/zinc/13/60/15/573136015.db2.gz BDVZUHVVVYEPCI-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(C)cc(CC2(O)CCC2)c1 85754264 573136167 /nfs/dbraw/zinc/13/61/67/573136167.db2.gz CNNUVSNTKZHBSX-UHFFFAOYSA-N 0 0 190.286 2.761 10 0 AFAERN CCOC(=O)N[C@@]1(C)CCCC[C@@H]1C 238283445 573136172 /nfs/dbraw/zinc/13/61/72/573136172.db2.gz CPIUVDGFMREOHG-ONGXEEELSA-N 0 0 199.294 2.701 10 0 AFAERN Cc1ccc(C)c(C2(O)CCC2)c1 85754305 573136180 /nfs/dbraw/zinc/13/61/80/573136180.db2.gz WXZXSNLDAATNDE-UHFFFAOYSA-N 0 0 176.259 2.675 10 0 AFAERN CN(c1ccc(O)cc1)C1CCCC1 238298972 573136292 /nfs/dbraw/zinc/13/62/92/573136292.db2.gz MCYWUBQQMDAFFH-UHFFFAOYSA-N 0 0 191.274 2.771 10 0 AFAERN CC[C@H](C)Nc1ccc([C@@H](C)O)cc1 238284246 573136384 /nfs/dbraw/zinc/13/63/84/573136384.db2.gz WIUANAWEWBPAGH-VHSXEESVSA-N 0 0 193.290 2.950 10 0 AFAERN CCSc1cc(OC)ccc1F 238298895 573136428 /nfs/dbraw/zinc/13/64/28/573136428.db2.gz IOGDYYVDYZDSJD-UHFFFAOYSA-N 0 0 186.251 2.946 10 0 AFAERN COC(=O)[C@@H](C(C)C)C1CCCC1 259340371 573136502 /nfs/dbraw/zinc/13/65/02/573136502.db2.gz SLPHCZPBHXFGJZ-JTQLQIEISA-N 0 0 184.279 2.622 10 0 AFAERN Cc1ccnc([C@@H](O)C2CCCC2)c1 82643611 573136587 /nfs/dbraw/zinc/13/65/87/573136587.db2.gz NRQQMYZZRMVIAI-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN Nc1c(Cl)cccc1CC1CC1 257953477 573136684 /nfs/dbraw/zinc/13/66/84/573136684.db2.gz WMCMJOUIZIBZPC-UHFFFAOYSA-N 0 0 181.666 2.875 10 0 AFAERN CCCCCC=C=C[C@H](C)OC(N)=O 308280386 573136698 /nfs/dbraw/zinc/13/66/98/573136698.db2.gz XQFNNPMCCNNDFW-HTLJXXAVSA-N 0 0 197.278 2.762 10 0 AFAERN CC[C@@H]1C[C@H]1c1ccc(O)cc1 238283380 573136723 /nfs/dbraw/zinc/13/67/23/573136723.db2.gz BAIFBLYFSKIDJK-LDYMZIIASA-N 0 0 162.232 2.906 10 0 AFAERN CCC[C@@H]1CC(=O)c2ccccc2N1 238283558 573136733 /nfs/dbraw/zinc/13/67/33/573136733.db2.gz NHHDVUKNTUJDBY-SECBINFHSA-N 0 0 189.258 2.854 10 0 AFAERN Cc1c(Cl)cccc1CC1(O)CC1 257956072 573136766 /nfs/dbraw/zinc/13/67/66/573136766.db2.gz BLGIIDFNQCAYMI-UHFFFAOYSA-N 0 0 196.677 2.716 10 0 AFAERN CCOC(=O)N[C@@]1(C)CCCC[C@H]1C 238283484 573136900 /nfs/dbraw/zinc/13/69/00/573136900.db2.gz CPIUVDGFMREOHG-KOLCDFICSA-N 0 0 199.294 2.701 10 0 AFAERN CCc1ccc(O)c2c(O)cccc12 238284221 573137057 /nfs/dbraw/zinc/13/70/57/573137057.db2.gz RTFCHIMYXAEQQZ-UHFFFAOYSA-N 0 0 188.226 2.813 10 0 AFAERN Cc1csc2cc(CON)ccc12 257956719 573137454 /nfs/dbraw/zinc/13/74/54/573137454.db2.gz FNHQACAXNRQASR-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN CC[NH+](CC)[C@@](C)(CC)C(=O)C(C)C 85747255 573137094 /nfs/dbraw/zinc/13/70/94/573137094.db2.gz HTFBIOKLIFSPCG-LBPRGKRZSA-N 0 0 199.338 2.722 10 0 AFAERN COc1sc(C2CCC2)nc1C 259340564 573137141 /nfs/dbraw/zinc/13/71/41/573137141.db2.gz PLRVMNGBUYKWNU-UHFFFAOYSA-N 0 0 183.276 2.728 10 0 AFAERN Cc1ccnc(C(=O)C(C)(C)C)c1 82643485 573137146 /nfs/dbraw/zinc/13/71/46/573137146.db2.gz VZBKDRRTNXLQBD-UHFFFAOYSA-N 0 0 177.247 2.619 10 0 AFAERN FCc1ccc2c(c1)NCCS2 257956579 573137313 /nfs/dbraw/zinc/13/73/13/573137313.db2.gz GIAPIHXWDULBFZ-UHFFFAOYSA-N 0 0 183.251 2.674 10 0 AFAERN CCCc1ccc([C@@H](C)O)s1 238284501 573137339 /nfs/dbraw/zinc/13/73/39/573137339.db2.gz RQHOVEFTTIMXFC-SSDOTTSWSA-N 0 0 170.277 2.754 10 0 AFAERN Cc1ccnc(C(=O)C2CCCC2)c1 82643496 573137500 /nfs/dbraw/zinc/13/75/00/573137500.db2.gz FOBLJRFPVYSLOW-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN CC[C@@H]1C=CC[C@H]2CC(=O)C[C@H]12 238299536 573137994 /nfs/dbraw/zinc/13/79/94/573137994.db2.gz NLFZYUMKXOQSCI-WCABBAIRSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cc(C/C=C\Cl)ccc1O 218823301 573139000 /nfs/dbraw/zinc/13/90/00/573139000.db2.gz XRYNDIKVEWXBSM-KXFIGUGUSA-N 0 0 182.650 2.996 10 0 AFAERN CCc1c(Cl)ccc(F)c1C=O 114909474 573138206 /nfs/dbraw/zinc/13/82/06/573138206.db2.gz GBIYCNMUAVGURX-UHFFFAOYSA-N 0 0 186.613 2.854 10 0 AFAERN CCn1c(C)c(N)c2ccccc21 238288991 573138225 /nfs/dbraw/zinc/13/82/25/573138225.db2.gz MTXZYDQLXHTDLR-UHFFFAOYSA-N 0 0 174.247 2.552 10 0 AFAERN C/C=C\[C@@H]1C(=O)[C@H]2CCCC[C@H]21 225316287 573138297 /nfs/dbraw/zinc/13/82/97/573138297.db2.gz HJTLJJCPBAGYBX-AJHPYCOYSA-N 0 0 164.248 2.568 10 0 AFAERN COC(=O)c1cc(C)c2occc2c1 114908886 573138394 /nfs/dbraw/zinc/13/83/94/573138394.db2.gz SBWIALYOGAYQJX-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN CCCC[C@H]1C[C@@H](C)CC[C@@H]1O 49852417 573138476 /nfs/dbraw/zinc/13/84/76/573138476.db2.gz GUHWAUKVBODFIL-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1c(O)cc(C)c(N=O)c1C 238289741 573138556 /nfs/dbraw/zinc/13/85/56/573138556.db2.gz YOLPBPVMWGIXOX-UHFFFAOYSA-N 0 0 179.219 2.969 10 0 AFAERN CCc1cc(C(C)(C)CO)ccc1C 257955965 573139014 /nfs/dbraw/zinc/13/90/14/573139014.db2.gz BJPYBBSDVHCJOZ-UHFFFAOYSA-N 0 0 192.302 2.827 10 0 AFAERN CNC(=O)O[C@@H]1CCC[C@@H](C(C)C)C1 238299258 573138594 /nfs/dbraw/zinc/13/85/94/573138594.db2.gz CDJCMAMFUOZEIV-NXEZZACHSA-N 0 0 199.294 2.557 10 0 AFAERN CC[C@](C)(Nc1ccccc1)C(C)=O 238289028 573138690 /nfs/dbraw/zinc/13/86/90/573138690.db2.gz LNOXSEUMXHVVOC-LBPRGKRZSA-N 0 0 191.274 2.856 10 0 AFAERN CC(F)(F)c1ccccc1C1(O)CC1 257955910 573138705 /nfs/dbraw/zinc/13/87/05/573138705.db2.gz BISLFDVMSFRGID-UHFFFAOYSA-N 0 0 198.212 2.780 10 0 AFAERN CCc1c(C)c(CC)c(O)c(C)c1O 238289624 573138774 /nfs/dbraw/zinc/13/87/74/573138774.db2.gz YOHVRKNULGQCDE-UHFFFAOYSA-N 0 0 194.274 2.839 10 0 AFAERN CC[C@H](C=C(C)C)[C@H](C)CO 238289725 573138839 /nfs/dbraw/zinc/13/88/39/573138839.db2.gz WUVMBXXIPBEIAX-NXEZZACHSA-N 0 0 156.269 2.607 10 0 AFAERN CC[C@H](c1ccccc1)c1ncc[nH]1 114912666 573139036 /nfs/dbraw/zinc/13/90/36/573139036.db2.gz UOHVRBGVXYXUAI-LLVKDONJSA-N 0 0 186.258 2.952 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@@H](C)/C=C/Cl 238299368 573139135 /nfs/dbraw/zinc/13/91/35/573139135.db2.gz OMRMXZYEYSSGQJ-KDBYFZRGSA-N 0 0 176.687 2.782 10 0 AFAERN Cc1c(Cl)c2ccccn2c1C=O 257955844 573139142 /nfs/dbraw/zinc/13/91/42/573139142.db2.gz GERBIBLGFWJBKN-UHFFFAOYSA-N 0 0 193.633 2.714 10 0 AFAERN CC(=O)[C@H](C)CCCC(F)(F)F 123712631 573139323 /nfs/dbraw/zinc/13/93/23/573139323.db2.gz HLPXSSKDFCXRLV-ZCFIWIBFSA-N 0 0 182.185 2.944 10 0 AFAERN Cc1cn2c(ccc3ccc(O)cc32)n1 258235430 573139526 /nfs/dbraw/zinc/13/95/26/573139526.db2.gz ZTHGDZNLTHQLGP-UHFFFAOYSA-N 0 0 198.225 2.502 10 0 AFAERN CCS[C@@H]1CCCCCC1=O 238289461 573139539 /nfs/dbraw/zinc/13/95/39/573139539.db2.gz CHYHSMICGBFXGI-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN Clc1cccnc1-n1cccc1 114906615 573139568 /nfs/dbraw/zinc/13/95/68/573139568.db2.gz CHYIIBQCQSZUBK-UHFFFAOYSA-N 0 0 178.622 2.526 10 0 AFAERN CCc1c(F)ccc2c1CCC2=O 238299595 573139600 /nfs/dbraw/zinc/13/96/00/573139600.db2.gz WFNXWFUGNONRIK-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN Cc1ccnc([C@H](O)C2CCCC2)c1 82643610 573139646 /nfs/dbraw/zinc/13/96/46/573139646.db2.gz NRQQMYZZRMVIAI-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CCc1cccc([S-])c1C 114891941 573139867 /nfs/dbraw/zinc/13/98/67/573139867.db2.gz GOFGTOMDZHFTAF-UHFFFAOYSA-N 0 0 152.262 2.846 10 0 AFAERN CC[C@@H]([NH3+])c1cc2ccccc2cn1 238289138 573139871 /nfs/dbraw/zinc/13/98/71/573139871.db2.gz QZPMZTZVWQHILG-LLVKDONJSA-N 0 0 186.258 2.645 10 0 AFAERN Cc1cccc2nc(CC(C)C)cn12 257955071 573139880 /nfs/dbraw/zinc/13/98/80/573139880.db2.gz MSWFCLGHZSAMFZ-UHFFFAOYSA-N 0 0 188.274 2.841 10 0 AFAERN CC[C@@H]1C=CC[C@@H]2CC(=O)C[C@H]12 238299527 573139978 /nfs/dbraw/zinc/13/99/78/573139978.db2.gz NLFZYUMKXOQSCI-FXPVBKGRSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)CCc1ccc(O)cc1N 257953432 573139988 /nfs/dbraw/zinc/13/99/88/573139988.db2.gz WLCQNSVQDRZAEO-UHFFFAOYSA-N 0 0 179.263 2.563 10 0 AFAERN CC[C@@H](c1ccccc1)c1ncc[nH]1 114912668 573140152 /nfs/dbraw/zinc/14/01/52/573140152.db2.gz UOHVRBGVXYXUAI-NSHDSACASA-N 0 0 186.258 2.952 10 0 AFAERN CNC(=O)O[C@@H]1CCC[C@H](C(C)C)C1 238299269 573140246 /nfs/dbraw/zinc/14/02/46/573140246.db2.gz CDJCMAMFUOZEIV-VHSXEESVSA-N 0 0 199.294 2.557 10 0 AFAERN COC(=O)[C@H](C(C)C)C1CCCC1 259340374 573140353 /nfs/dbraw/zinc/14/03/53/573140353.db2.gz SLPHCZPBHXFGJZ-SNVBAGLBSA-N 0 0 184.279 2.622 10 0 AFAERN CCc1ccc([S-])cc1OC 238289620 573140467 /nfs/dbraw/zinc/14/04/67/573140467.db2.gz HXLATCFFNQCDSH-UHFFFAOYSA-N 0 0 168.261 2.546 10 0 AFAERN CC(C)c1oc(N)nc1C1CCC1 257956533 573140468 /nfs/dbraw/zinc/14/04/68/573140468.db2.gz WYOFNLBHMBVDQB-UHFFFAOYSA-N 0 0 180.251 2.648 10 0 AFAERN Cc1cccc(C2CC2)c1C=O 114916708 573140567 /nfs/dbraw/zinc/14/05/67/573140567.db2.gz GIFQLXTXPYMEMM-UHFFFAOYSA-N 0 0 160.216 2.685 10 0 AFAERN CCc1ccc(F)c(CC)c1C=O 114912181 573140612 /nfs/dbraw/zinc/14/06/12/573140612.db2.gz CVRJJNDCXJFUQV-UHFFFAOYSA-N 0 0 180.222 2.763 10 0 AFAERN FC[C@@H]1C[C@H]1c1ccccc1 258537488 573140625 /nfs/dbraw/zinc/14/06/25/573140625.db2.gz OBWPZFBNYJBXJN-UWVGGRQHSA-N 0 0 150.196 2.760 10 0 AFAERN Cc1ccc(Oc2cnoc2)cc1 258546207 573140633 /nfs/dbraw/zinc/14/06/33/573140633.db2.gz OIGFWGVCTDLTIY-UHFFFAOYSA-N 0 0 175.187 2.775 10 0 AFAERN COCCc1sccc1Cl 114917099 573140658 /nfs/dbraw/zinc/14/06/58/573140658.db2.gz CZHXNMMUTRMFAJ-UHFFFAOYSA-N 0 0 176.668 2.590 10 0 AFAERN CC[C@H]1CCC(=O)CC1(C)C 238289229 573140684 /nfs/dbraw/zinc/14/06/84/573140684.db2.gz JZGXPQPKMNERNG-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN CCOc1cccc(CC)c1[S-] 238299337 573140740 /nfs/dbraw/zinc/14/07/40/573140740.db2.gz DOSABTAPVAZYKE-UHFFFAOYSA-N 0 0 182.288 2.936 10 0 AFAERN CCc1ccc([S-])c(C)c1O 238289380 573140769 /nfs/dbraw/zinc/14/07/69/573140769.db2.gz GJBREILYBSANGZ-UHFFFAOYSA-N 0 0 168.261 2.552 10 0 AFAERN COCCCc1sccc1C 114915792 573140881 /nfs/dbraw/zinc/14/08/81/573140881.db2.gz RIXDJMITSKUALD-UHFFFAOYSA-N 0 0 170.277 2.636 10 0 AFAERN CCc1ccc(SC)c(OC)c1 238289844 573140904 /nfs/dbraw/zinc/14/09/04/573140904.db2.gz XGVKVXVEDYLVKJ-UHFFFAOYSA-N 0 0 182.288 2.980 10 0 AFAERN Cc1ccc(C2(O)CCC2)cc1C 85754383 573140912 /nfs/dbraw/zinc/14/09/12/573140912.db2.gz CWDXQVALJFHFGP-UHFFFAOYSA-N 0 0 176.259 2.675 10 0 AFAERN CC/C=C(/CC)C(=O)NC(C)(C)C 212301298 573141007 /nfs/dbraw/zinc/14/10/07/573141007.db2.gz DUCAGBRXFQJJKW-HJWRWDBZSA-N 0 0 183.295 2.648 10 0 AFAERN CC1CCC(C2(O)CCC2)CC1 85754561 573141096 /nfs/dbraw/zinc/14/10/96/573141096.db2.gz PJYAUZALXMHJCQ-UHFFFAOYSA-N 0 0 168.280 2.728 10 0 AFAERN CC(F)(F)Oc1ccc2c(c1)CCN2 257956786 573141111 /nfs/dbraw/zinc/14/11/11/573141111.db2.gz IXNAIPUIEVFTSK-UHFFFAOYSA-N 0 0 199.200 2.646 10 0 AFAERN CC[C@H]1CCC/C(=C(\F)CO)C1 238289840 573141124 /nfs/dbraw/zinc/14/11/24/573141124.db2.gz DMTKFBMXFBDHQA-VPOJCXOPSA-N 0 0 172.243 2.803 10 0 AFAERN COSc1cc(C)c(C)cc1OC 259341419 573141201 /nfs/dbraw/zinc/14/12/01/573141201.db2.gz XVCUBUNBSNDWIF-UHFFFAOYSA-N 0 0 198.287 2.966 10 0 AFAERN CCOc1ccc2cc[nH]c2c1OC 238289192 573141202 /nfs/dbraw/zinc/14/12/02/573141202.db2.gz PFRMUUZDHSQXSV-UHFFFAOYSA-N 0 0 191.230 2.575 10 0 AFAERN O[C@H](CC[C@H]1C[C@H]1C1CC1)CC1CC1 715508527 573141211 /nfs/dbraw/zinc/14/12/11/573141211.db2.gz QIDQNJTVWOAIIO-XQQFMLRXSA-N 0 0 194.318 2.974 10 0 AFAERN CC[C@H](C)SC(=O)NC(C)C 238289117 573141299 /nfs/dbraw/zinc/14/12/99/573141299.db2.gz PRDLCDCNPFLGTQ-ZETCQYMHSA-N 0 0 175.297 2.636 10 0 AFAERN Cc1ccsc1-c1nc(N)oc1C 259344635 573141330 /nfs/dbraw/zinc/14/13/30/573141330.db2.gz ZIJFEOQEAGCAHD-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCn1c(C)cc2cc(O)c(C)cc21 238289553 573141362 /nfs/dbraw/zinc/14/13/62/573141362.db2.gz XJDGJWMNLMZJNU-UHFFFAOYSA-N 0 0 189.258 2.984 10 0 AFAERN CC1=CC[C@@H]2C(=O)C[C@@H](C)C[C@H]2C1 197005100 573141370 /nfs/dbraw/zinc/14/13/70/573141370.db2.gz FBNMSVZUGCDPNT-AXFHLTTASA-N 0 0 178.275 2.958 10 0 AFAERN CCc1cn2c[nH+]cc2cc1Cl 238299468 573141388 /nfs/dbraw/zinc/14/13/88/573141388.db2.gz NQIFKRKNBIWGEJ-UHFFFAOYSA-N 0 0 180.638 2.550 10 0 AFAERN Cc1ccc(C)c(Cc2ncc[nH]2)c1 114913070 573141389 /nfs/dbraw/zinc/14/13/89/573141389.db2.gz FYSLTYFVISGAFG-UHFFFAOYSA-N 0 0 186.258 2.617 10 0 AFAERN C[C@@H]1CC(C2(O)CCC2)C[C@@H](C)C1 85754659 573141474 /nfs/dbraw/zinc/14/14/74/573141474.db2.gz HQMYBLQQMHSLTE-UWVGGRQHSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)c1nc(N)oc1C1CCC1 259344512 573141691 /nfs/dbraw/zinc/14/16/91/573141691.db2.gz ZGAYPTJFCGDZGY-UHFFFAOYSA-N 0 0 180.251 2.648 10 0 AFAERN CCc1c(C)c(C)cc(O)c1C 238289483 573141746 /nfs/dbraw/zinc/14/17/46/573141746.db2.gz NTIVQDSYMQXIFJ-UHFFFAOYSA-N 0 0 164.248 2.880 10 0 AFAERN C=Cc1ccccc1NC(=O)OCC 238289389 573141831 /nfs/dbraw/zinc/14/18/31/573141831.db2.gz XBJRLHWZFBKCQK-UHFFFAOYSA-N 0 0 191.230 2.898 10 0 AFAERN CC(C)C[C@@H](C)C(=O)[C@H]1CCCCO1 308502816 573141939 /nfs/dbraw/zinc/14/19/39/573141939.db2.gz XJDTWVLMRYNBFR-GHMZBOCLSA-N 0 0 198.306 2.807 10 0 AFAERN CC[C@@H]1CC(=O)c2c(F)cccc2N1 238299685 573141957 /nfs/dbraw/zinc/14/19/57/573141957.db2.gz BTVXANRQTZFEBV-SSDOTTSWSA-N 0 0 193.221 2.603 10 0 AFAERN O=Nc1ccccc1Br 114889885 573142012 /nfs/dbraw/zinc/14/20/12/573142012.db2.gz WZJGYTJULKWGFT-UHFFFAOYSA-N 0 0 186.008 2.847 10 0 AFAERN CCc1ccc([S-])cc1F 238289564 573142115 /nfs/dbraw/zinc/14/21/15/573142115.db2.gz KCTFQEAJQQVUQK-UHFFFAOYSA-N 0 0 156.225 2.677 10 0 AFAERN CC(C)(C)CCC1(O)CCC1 85754472 573142461 /nfs/dbraw/zinc/14/24/61/573142461.db2.gz VOWXWRZBOKMLDY-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1cc(C2(O)CCC2)ccc1F 85754582 573142228 /nfs/dbraw/zinc/14/22/28/573142228.db2.gz JGEOBGVYUWWIGR-UHFFFAOYSA-N 0 0 180.222 2.506 10 0 AFAERN FC[C@@H]1C[C@@H]1c1ccccc1 258537493 573142255 /nfs/dbraw/zinc/14/22/55/573142255.db2.gz OBWPZFBNYJBXJN-VHSXEESVSA-N 0 0 150.196 2.760 10 0 AFAERN CCOc1ccc(NC(=N)Cl)cc1 238289484 573142320 /nfs/dbraw/zinc/14/23/20/573142320.db2.gz FUTINOINISKWQX-UHFFFAOYSA-N 0 0 198.653 2.671 10 0 AFAERN CCC[C@@H](C)CC1(O)CCC1 85754475 573142327 /nfs/dbraw/zinc/14/23/27/573142327.db2.gz FEFVQFUQPQRCGW-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1cc(-c2cc(F)ccc2F)on1 259342095 573142333 /nfs/dbraw/zinc/14/23/33/573142333.db2.gz SYYDHXWEXACZOS-UHFFFAOYSA-N 0 0 195.168 2.928 10 0 AFAERN CCCC[C@H]1C[C@H](C)CC[C@@H]1O 49852415 573142365 /nfs/dbraw/zinc/14/23/65/573142365.db2.gz GUHWAUKVBODFIL-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C(\Cl)[C@H](O)CC(C)C 225314935 573142374 /nfs/dbraw/zinc/14/23/74/573142374.db2.gz IGFFTHXCUPDGGW-RBMBQVQZSA-N 0 0 162.660 2.536 10 0 AFAERN CCc1c(F)ccc2c1CCCC2=O 238299564 573142396 /nfs/dbraw/zinc/14/23/96/573142396.db2.gz FLQDOFIIDKLIQM-UHFFFAOYSA-N 0 0 192.233 2.907 10 0 AFAERN CCc1ccc([S-])cc1C 238289524 573142422 /nfs/dbraw/zinc/14/24/22/573142422.db2.gz QIYMXZYXXOXIPQ-UHFFFAOYSA-N 0 0 152.262 2.846 10 0 AFAERN COC(=O)c1cc2ccoc2cc1C 114910359 573142662 /nfs/dbraw/zinc/14/26/62/573142662.db2.gz WTTOTOFNJCDHHA-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN CCCSC1CCC(=O)CC1 259341341 573142672 /nfs/dbraw/zinc/14/26/72/573142672.db2.gz XUZSSJSNZCRILG-UHFFFAOYSA-N 0 0 172.293 2.641 10 0 AFAERN Cc1ccc(F)c(C2(O)CCC2)c1 85754439 573142918 /nfs/dbraw/zinc/14/29/18/573142918.db2.gz OSSJCJUZFSPYJL-UHFFFAOYSA-N 0 0 180.222 2.506 10 0 AFAERN CCc1c(C)c(C)cc(C(C)=O)c1O 238289458 573142714 /nfs/dbraw/zinc/14/27/14/573142714.db2.gz SYIFQJWTEBCMKA-UHFFFAOYSA-N 0 0 192.258 2.774 10 0 AFAERN OC1(CCc2ccsc2)CCC1 85754554 573142726 /nfs/dbraw/zinc/14/27/26/573142726.db2.gz BAJSNGZZFIEISO-UHFFFAOYSA-N 0 0 182.288 2.596 10 0 AFAERN C[C@H]1CCC[C@H](C2(O)CCC2)C1 85754363 573142735 /nfs/dbraw/zinc/14/27/35/573142735.db2.gz ZMZLATQWPNZCJB-UWVGGRQHSA-N 0 0 168.280 2.728 10 0 AFAERN CCc1ccc2c(c1CC)OCO2 238289873 573143407 /nfs/dbraw/zinc/14/34/07/573143407.db2.gz LCGAURYNJWERGY-UHFFFAOYSA-N 0 0 178.231 2.540 10 0 AFAERN C[C@@H]1CCC[C@H](C2(O)CCC2)C1 85754361 573143015 /nfs/dbraw/zinc/14/30/15/573143015.db2.gz ZMZLATQWPNZCJB-ZJUUUORDSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H]1C[C@@H](C2(O)CCC2)CC[C@H]1C 85754351 573143037 /nfs/dbraw/zinc/14/30/37/573143037.db2.gz VZJONTZFSFCJGF-VWYCJHECSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H]1C[C@H](C2(O)CCC2)CC[C@H]1C 85754354 573143043 /nfs/dbraw/zinc/14/30/43/573143043.db2.gz VZJONTZFSFCJGF-OUAUKWLOSA-N 0 0 182.307 2.974 10 0 AFAERN CCS[C@@]1(C)CCCCC1=O 238290237 573143077 /nfs/dbraw/zinc/14/30/77/573143077.db2.gz GRAHFCIZOOLUCW-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CCc1ccc(CC2(O)CCC2)s1 85754483 573143137 /nfs/dbraw/zinc/14/31/37/573143137.db2.gz HRTALVWCSTZDJM-UHFFFAOYSA-N 0 0 196.315 2.768 10 0 AFAERN C[C@H]1CC(C2(O)CCC2)C[C@H](C)C1 85754661 573143144 /nfs/dbraw/zinc/14/31/44/573143144.db2.gz HQMYBLQQMHSLTE-NXEZZACHSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H]1CCO[C@H]1CNc1ccccc1 123714578 573143288 /nfs/dbraw/zinc/14/32/88/573143288.db2.gz LTRHUWCKUBKJAT-JQWIXIFHSA-N 0 0 191.274 2.524 10 0 AFAERN C[C@@H]1CCC[C@@H](C2(O)CCC2)C1 85754365 573143356 /nfs/dbraw/zinc/14/33/56/573143356.db2.gz ZMZLATQWPNZCJB-NXEZZACHSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc(CC2(O)CCC2)cc1C 85754619 573144377 /nfs/dbraw/zinc/14/43/77/573144377.db2.gz NUVRLQSPIIXJDS-UHFFFAOYSA-N 0 0 190.286 2.761 10 0 AFAERN CCS[C@H](C)/C=C/Cl 238290737 573144378 /nfs/dbraw/zinc/14/43/78/573144378.db2.gz XSXAZJJHUDIMJV-BMMSZFGTSA-N 0 0 150.674 2.881 10 0 AFAERN CC(=O)CNc1ccc(Cl)cc1C 258548481 573143431 /nfs/dbraw/zinc/14/34/31/573143431.db2.gz AEXAGCTVDQOCFL-UHFFFAOYSA-N 0 0 197.665 2.649 10 0 AFAERN CCc1c(C)cc(C(C)=O)c(O)c1C 238290142 573143445 /nfs/dbraw/zinc/14/34/45/573143445.db2.gz OCWMIOKJZXFRGS-UHFFFAOYSA-N 0 0 192.258 2.774 10 0 AFAERN CCS[C@H](C)C(C)(C)C(C)=O 238290445 573143493 /nfs/dbraw/zinc/14/34/93/573143493.db2.gz XYPMPOBRVYMSDI-MRVPVSSYSA-N 0 0 174.309 2.743 10 0 AFAERN CCOCc1cn(C)c2ccccc12 258549832 573143589 /nfs/dbraw/zinc/14/35/89/573143589.db2.gz HWERMWIRKVSJLI-UHFFFAOYSA-N 0 0 189.258 2.715 10 0 AFAERN CNc1ccc(C(=O)CC(C)C)cc1 259342604 573143663 /nfs/dbraw/zinc/14/36/63/573143663.db2.gz ZFXUSBDWHKVNNZ-UHFFFAOYSA-N 0 0 191.274 2.957 10 0 AFAERN CC[C@@H](C)Sc1ccc(N)c(C)n1 123719754 573143743 /nfs/dbraw/zinc/14/37/43/573143743.db2.gz YNUIOCXCCSAQDH-SSDOTTSWSA-N 0 0 196.319 2.863 10 0 AFAERN CC[C@H]1CCCC[C@H]1C(C)=O 82658208 573143774 /nfs/dbraw/zinc/14/37/74/573143774.db2.gz JADMDNHJWJSMOV-UWVGGRQHSA-N 0 0 154.253 2.792 10 0 AFAERN CCCCOCC[C@H](CC)[C@@H](C)O 49852177 573143859 /nfs/dbraw/zinc/14/38/59/573143859.db2.gz NMIMEMZRDJMVMU-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN CCSc1nc(Cl)ncc1C 85788600 573143930 /nfs/dbraw/zinc/14/39/30/573143930.db2.gz UENDJKBNIYBONM-UHFFFAOYSA-N 0 0 188.683 2.550 10 0 AFAERN CC1=CCCC(C)(C)C(=O)C1 197008244 573144456 /nfs/dbraw/zinc/14/44/56/573144456.db2.gz CYWFBVXZGIYTKJ-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN OC1(CCc2cccs2)CCC1 85754499 573144457 /nfs/dbraw/zinc/14/44/57/573144457.db2.gz SNXNMGBTMAQLQO-UHFFFAOYSA-N 0 0 182.288 2.596 10 0 AFAERN Cc1cc(C)cc(C2(O)CCC2)c1 85754631 573144020 /nfs/dbraw/zinc/14/40/20/573144020.db2.gz YQBUQQAXTXFNFS-UHFFFAOYSA-N 0 0 176.259 2.675 10 0 AFAERN CC(C)C[C@H](C)C(=O)C[C@H]1CCOC1 308503108 573144152 /nfs/dbraw/zinc/14/41/52/573144152.db2.gz XOXSGDRBFYNNHU-WDEREUQCSA-N 0 0 198.306 2.664 10 0 AFAERN O[C@H](CC[C@@H]1C[C@H]1C1CC1)CC1CC1 715508523 573144176 /nfs/dbraw/zinc/14/41/76/573144176.db2.gz QIDQNJTVWOAIIO-UPJWGTAASA-N 0 0 194.318 2.974 10 0 AFAERN FC[C@H]1C[C@@H]1c1ccccc1 258537484 573144225 /nfs/dbraw/zinc/14/42/25/573144225.db2.gz OBWPZFBNYJBXJN-NXEZZACHSA-N 0 0 150.196 2.760 10 0 AFAERN CCn1c(C=O)cc2cc(C)ccc21 238290199 573144370 /nfs/dbraw/zinc/14/43/70/573144370.db2.gz JUZRBIUETKUWKZ-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN CC[C@@H]1CCCC[C@H]1[C@H](O)C1CC1 82658330 573144329 /nfs/dbraw/zinc/14/43/29/573144329.db2.gz QSNCSTUKDOXVHH-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN FC[C@H]1C[C@H]1c1ccccc1 258537495 573144351 /nfs/dbraw/zinc/14/43/51/573144351.db2.gz OBWPZFBNYJBXJN-ZJUUUORDSA-N 0 0 150.196 2.760 10 0 AFAERN O[C@H](CC[C@H]1C[C@@H]1C1CC1)CC1CC1 715508529 573144494 /nfs/dbraw/zinc/14/44/94/573144494.db2.gz QIDQNJTVWOAIIO-YNEHKIRRSA-N 0 0 194.318 2.974 10 0 AFAERN O[C@H](CC[C@@H]1C[C@@H]1C1CC1)CC1CC1 715508514 573144584 /nfs/dbraw/zinc/14/45/84/573144584.db2.gz QIDQNJTVWOAIIO-JHJVBQTASA-N 0 0 194.318 2.974 10 0 AFAERN CC(C)(C)Cc1cn2c(n1)CCCC2 258545999 573144609 /nfs/dbraw/zinc/14/46/09/573144609.db2.gz SVSRYYRRFAGSSV-UHFFFAOYSA-N 0 0 192.306 2.808 10 0 AFAERN CC(C)C[C@@H](C)C(=O)C[C@H]1CCOC1 308503104 573144643 /nfs/dbraw/zinc/14/46/43/573144643.db2.gz XOXSGDRBFYNNHU-GHMZBOCLSA-N 0 0 198.306 2.664 10 0 AFAERN Cc1ccc(F)cc1C1(O)CCC1 85754577 573144659 /nfs/dbraw/zinc/14/46/59/573144659.db2.gz XAMYCEVBPLBSHS-UHFFFAOYSA-N 0 0 180.222 2.506 10 0 AFAERN CC[C@H]1CCCC[C@@H]1C(C)(C)O 82658035 573144726 /nfs/dbraw/zinc/14/47/26/573144726.db2.gz PURSYZDYADPJRP-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN Nc1ccccc1[C@@H](CF)C1CC1 259602343 573144892 /nfs/dbraw/zinc/14/48/92/573144892.db2.gz DDKIGSNXARVPAH-JTQLQIEISA-N 0 0 179.238 2.732 10 0 AFAERN CC1=CC[C@@H]2C(=O)C[C@H](C)C[C@@H]2C1 197005072 573144900 /nfs/dbraw/zinc/14/49/00/573144900.db2.gz FBNMSVZUGCDPNT-VWYCJHECSA-N 0 0 178.275 2.958 10 0 AFAERN CC[C@@]1(C)O[C@](C)(CC)c2[nH]cnc21 238291180 573145005 /nfs/dbraw/zinc/14/50/05/573145005.db2.gz AYAKRPFRMFZMOZ-GHMZBOCLSA-N 0 0 194.278 2.690 10 0 AFAERN CC[C@@H]1CCCC[C@H]1[C@@H](C)O 82658318 573145012 /nfs/dbraw/zinc/14/50/12/573145012.db2.gz YNNUURMRHKRDQD-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN CCCCOC(=O)/C=C\C1CCC1 308503539 573145035 /nfs/dbraw/zinc/14/50/35/573145035.db2.gz YBRGNEWDWYRQDU-FPLPWBNLSA-N 0 0 182.263 2.686 10 0 AFAERN CCc1c(C)ccc2c1CCC2=O 238290769 573145256 /nfs/dbraw/zinc/14/52/56/573145256.db2.gz QXRSLCPZRMIUCI-UHFFFAOYSA-N 0 0 174.243 2.686 10 0 AFAERN C[C@H]1CCC[C@@H](C2(O)CCC2)C1 85754367 573145263 /nfs/dbraw/zinc/14/52/63/573145263.db2.gz ZMZLATQWPNZCJB-VHSXEESVSA-N 0 0 168.280 2.728 10 0 AFAERN CCCCOC(=O)/C=C/C1CCC1 308503538 573145321 /nfs/dbraw/zinc/14/53/21/573145321.db2.gz YBRGNEWDWYRQDU-BQYQJAHWSA-N 0 0 182.263 2.686 10 0 AFAERN C[C@H]1CNc2ccc(O)cc2SC1 259342777 573145323 /nfs/dbraw/zinc/14/53/23/573145323.db2.gz TXFPBTJFLAZQID-ZETCQYMHSA-N 0 0 195.287 2.546 10 0 AFAERN CC(C)C[C@@H](C)C(=O)[C@@H]1CCCCO1 308502817 573145421 /nfs/dbraw/zinc/14/54/21/573145421.db2.gz XJDTWVLMRYNBFR-MNOVXSKESA-N 0 0 198.306 2.807 10 0 AFAERN C[C@@H]1CCO[C@@H]1CNc1ccccc1 123713921 573145426 /nfs/dbraw/zinc/14/54/26/573145426.db2.gz LTRHUWCKUBKJAT-ZYHUDNBSSA-N 0 0 191.274 2.524 10 0 AFAERN CC[C@H]1CCCC[C@H]1C(C)(C)O 82658037 573145466 /nfs/dbraw/zinc/14/54/66/573145466.db2.gz PURSYZDYADPJRP-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1c(C)cc(Cl)nc1C 238290521 573145481 /nfs/dbraw/zinc/14/54/81/573145481.db2.gz COJUFKCGTOWUIL-UHFFFAOYSA-N 0 0 169.655 2.914 10 0 AFAERN CCC[C@H](C)CC1(O)CCC1 85754477 573145681 /nfs/dbraw/zinc/14/56/81/573145681.db2.gz FEFVQFUQPQRCGW-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@]1(C)Nc2ccccc2C(=N)O1 238290869 573145801 /nfs/dbraw/zinc/14/58/01/573145801.db2.gz PPGHGDWTUJVGJJ-NSHDSACASA-N 0 0 190.246 2.580 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1CCCCO1 308502818 573145834 /nfs/dbraw/zinc/14/58/34/573145834.db2.gz XJDTWVLMRYNBFR-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@@H]1CCO[C@H]1CNc1ccccc1 123714361 573145908 /nfs/dbraw/zinc/14/59/08/573145908.db2.gz LTRHUWCKUBKJAT-PWSUYJOCSA-N 0 0 191.274 2.524 10 0 AFAERN CC1=CC[C@@H]2C(=O)C[C@@H](C)C[C@@H]2C1 197005088 573146104 /nfs/dbraw/zinc/14/61/04/573146104.db2.gz FBNMSVZUGCDPNT-DCAQKATOSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1COc2cccc(Cl)c2N1 259346338 573146117 /nfs/dbraw/zinc/14/61/17/573146117.db2.gz UDCHSKVLOIJJFT-ZCFIWIBFSA-N 0 0 183.638 2.533 10 0 AFAERN CNc1ncc(-c2cccc(C)c2)o1 258552457 573146233 /nfs/dbraw/zinc/14/62/33/573146233.db2.gz JFVPALMOGJNEEP-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN Cc1ccc2c(c1)CCC(=O)C2(C)C 259342778 573146322 /nfs/dbraw/zinc/14/63/22/573146322.db2.gz PFSGOMANSQWLLZ-UHFFFAOYSA-N 0 0 188.270 2.788 10 0 AFAERN Nc1cc(F)ccc1-c1nccs1 114994101 573146350 /nfs/dbraw/zinc/14/63/50/573146350.db2.gz AMEXYEANRBPUNA-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CCc1c(O)ccc(C)c1C 114968137 573146372 /nfs/dbraw/zinc/14/63/72/573146372.db2.gz GVHYNPNIICJBPU-UHFFFAOYSA-N 0 0 150.221 2.571 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1[C@@H](C)O 82658317 573146484 /nfs/dbraw/zinc/14/64/84/573146484.db2.gz YNNUURMRHKRDQD-OPRDCNLKSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H]1CCCC[C@@H]1C(C)=O 82658207 573146537 /nfs/dbraw/zinc/14/65/37/573146537.db2.gz JADMDNHJWJSMOV-VHSXEESVSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H]1CCO[C@@H]1CNc1ccccc1 123714139 573147054 /nfs/dbraw/zinc/14/70/54/573147054.db2.gz LTRHUWCKUBKJAT-CMPLNLGQSA-N 0 0 191.274 2.524 10 0 AFAERN CCc1ccc(SC)cc1OC 238290080 573147071 /nfs/dbraw/zinc/14/70/71/573147071.db2.gz ADICIKMYRUNODC-UHFFFAOYSA-N 0 0 182.288 2.980 10 0 AFAERN CC[C@@]1(C)Nc2ccccc2CO1 238290956 573147076 /nfs/dbraw/zinc/14/70/76/573147076.db2.gz RJWGGNQKTWSCMH-NSHDSACASA-N 0 0 177.247 2.755 10 0 AFAERN CCc1c(C)ccc2cnoc12 238290934 573147096 /nfs/dbraw/zinc/14/70/96/573147096.db2.gz ODJILKUVWNZKOK-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCc1c(C)ccc2c1OCCC2=O 238290756 573147461 /nfs/dbraw/zinc/14/74/61/573147461.db2.gz FZTWJMHQOMBYOS-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN CC[C@H](C)Sc1ccc(N)c(C)n1 123719980 573147267 /nfs/dbraw/zinc/14/72/67/573147267.db2.gz YNUIOCXCCSAQDH-ZETCQYMHSA-N 0 0 196.319 2.863 10 0 AFAERN CCc1ccc(SC)cc1N 238290018 573147371 /nfs/dbraw/zinc/14/73/71/573147371.db2.gz ZHMKZTVYZQRSNK-UHFFFAOYSA-N 0 0 167.277 2.553 10 0 AFAERN CC[C@@H](C)C(=O)OCC1(C)CCC1 308287470 573147513 /nfs/dbraw/zinc/14/75/13/573147513.db2.gz FBLRGODVOXDWLU-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN C[C@H]1COc2cccc(Cl)c2N1 259346330 573147528 /nfs/dbraw/zinc/14/75/28/573147528.db2.gz UDCHSKVLOIJJFT-LURJTMIESA-N 0 0 183.638 2.533 10 0 AFAERN Cc1noc2cc(C=O)cc(Cl)c12 259343675 573147584 /nfs/dbraw/zinc/14/75/84/573147584.db2.gz HICNYLSESPWESB-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN CCn1c(C=O)cc2c(C)cccc21 238290182 573147754 /nfs/dbraw/zinc/14/77/54/573147754.db2.gz OPKTYRGJIPGGGH-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN CCCCOCC[C@@H](CC)[C@H](C)O 49852178 573147837 /nfs/dbraw/zinc/14/78/37/573147837.db2.gz NMIMEMZRDJMVMU-WDEREUQCSA-N 0 0 188.311 2.600 10 0 AFAERN CCc1c(C)cc(C)c(O)c1C(C)=O 238290341 573147891 /nfs/dbraw/zinc/14/78/91/573147891.db2.gz WFRBTZYZLMFPMH-UHFFFAOYSA-N 0 0 192.258 2.774 10 0 AFAERN Cc1cc(F)ccc1-n1nccc1C 82651010 573147906 /nfs/dbraw/zinc/14/79/06/573147906.db2.gz KBZYOJGFRXUMKJ-UHFFFAOYSA-N 0 0 190.221 2.628 10 0 AFAERN CCn1c(C=O)cc2cccc(C)c21 238290217 573148051 /nfs/dbraw/zinc/14/80/51/573148051.db2.gz QASHWTJDUSMSQI-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1C(C)=O 82658206 573148023 /nfs/dbraw/zinc/14/80/23/573148023.db2.gz JADMDNHJWJSMOV-NXEZZACHSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1c(C)cc(O)c(CC)c1O 238290601 573148063 /nfs/dbraw/zinc/14/80/63/573148063.db2.gz RREXXMVNTSOAHP-UHFFFAOYSA-N 0 0 180.247 2.531 10 0 AFAERN CC[C@H](C)C(=O)OCC1(C)CCC1 308287471 573148457 /nfs/dbraw/zinc/14/84/57/573148457.db2.gz FBLRGODVOXDWLU-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN C/C(F)=C(/F)c1ccccn1 114984401 573148536 /nfs/dbraw/zinc/14/85/36/573148536.db2.gz ANBPLWBXWMMWJJ-VURMDHGXSA-N 0 0 155.147 2.709 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1[C@H](O)C1CC1 82658328 573148592 /nfs/dbraw/zinc/14/85/92/573148592.db2.gz QSNCSTUKDOXVHH-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccc(-c2nccs2)c(N)c1 114993986 573148654 /nfs/dbraw/zinc/14/86/54/573148654.db2.gz KPWALDUWIWJCHA-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@@H]1CNc2ccc(O)cc2SC1 259342775 573148658 /nfs/dbraw/zinc/14/86/58/573148658.db2.gz TXFPBTJFLAZQID-SSDOTTSWSA-N 0 0 195.287 2.546 10 0 AFAERN Clc1cnc(-c2ccccn2)s1 258551512 573148807 /nfs/dbraw/zinc/14/88/07/573148807.db2.gz OLSJNPJPDIEAIN-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Cc1ccc2c(c1)OCC1(CC1)CN2 259346471 573148840 /nfs/dbraw/zinc/14/88/40/573148840.db2.gz UDWVCWZHSGWBSF-UHFFFAOYSA-N 0 0 189.258 2.580 10 0 AFAERN C/C=C(\C)[C@H](O)c1ccc(CC)o1 238292120 573149032 /nfs/dbraw/zinc/14/90/32/573149032.db2.gz KTHUABXPFWEMJU-VUQUXZKVSA-N 0 0 180.247 2.842 10 0 AFAERN C[C@H](C1CCCC1)N(C)CC(F)F 308287671 573149059 /nfs/dbraw/zinc/14/90/59/573149059.db2.gz ZSVJDFYXHALDJQ-MRVPVSSYSA-N 0 0 191.265 2.762 10 0 AFAERN CC(C)/C=C\C(=O)O[C@@H](C)C1CC1 308287874 573149131 /nfs/dbraw/zinc/14/91/31/573149131.db2.gz ZWUFGCUYDVOLAK-WYDVEAGSSA-N 0 0 182.263 2.540 10 0 AFAERN CCc1c(C)n(C)c2ccc(O)cc12 238292106 573149138 /nfs/dbraw/zinc/14/91/38/573149138.db2.gz KWBOPWKVOARURB-UHFFFAOYSA-N 0 0 189.258 2.755 10 0 AFAERN CSC(=N)Cc1ccc(F)cc1 258551243 573149553 /nfs/dbraw/zinc/14/95/53/573149553.db2.gz FFMOXPNJKDARRQ-UHFFFAOYSA-N 0 0 183.251 2.708 10 0 AFAERN C/C=C/CN[C@@H](CF)c1ccccc1 308505109 573149513 /nfs/dbraw/zinc/14/95/13/573149513.db2.gz IGYPVPIELRSFIQ-JDGPPOGSSA-N 0 0 193.265 2.863 10 0 AFAERN c1ccc2c(c1)NCC1(CC1)CS2 259342823 573149625 /nfs/dbraw/zinc/14/96/25/573149625.db2.gz TYIXHNITFPOTTD-UHFFFAOYSA-N 0 0 191.299 2.984 10 0 AFAERN CCn1c(Cl)cnc1NC1CCC1 258539616 573149641 /nfs/dbraw/zinc/14/96/41/573149641.db2.gz NHGWFFUAFZNOMZ-UHFFFAOYSA-N 0 0 199.685 2.521 10 0 AFAERN CC/C=C\COC(=O)CC1(C)CC1 308504044 573149782 /nfs/dbraw/zinc/14/97/82/573149782.db2.gz YHKIOQNUSGJSHN-PLNGDYQASA-N 0 0 182.263 2.686 10 0 AFAERN CCSc1[nH]c(=S)oc1C 238292516 573149913 /nfs/dbraw/zinc/14/99/13/573149913.db2.gz SSHZOTPKADNLSC-UHFFFAOYSA-N 0 0 175.278 2.758 10 0 AFAERN C[C@H]1CCC[C@H](C)C1(N)C(F)(F)F 82670642 573149989 /nfs/dbraw/zinc/14/99/89/573149989.db2.gz GHQYALIVTMMCDZ-BQBZGAKWSA-N 0 0 195.228 2.702 10 0 AFAERN CC[C@H](C)CNC(=O)OC1CCCC1 308504286 573150012 /nfs/dbraw/zinc/15/00/12/573150012.db2.gz YCCIMPQVDDPKQH-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN CCS[C@H]1CCCCCC1=O 238291648 573150137 /nfs/dbraw/zinc/15/01/37/573150137.db2.gz CHYHSMICGBFXGI-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CCS[C@]1(C)CCCCC1=O 238292321 573150234 /nfs/dbraw/zinc/15/02/34/573150234.db2.gz GRAHFCIZOOLUCW-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN CC(C)(C)CC(=O)c1cncc(F)c1 82673544 573150432 /nfs/dbraw/zinc/15/04/32/573150432.db2.gz HLZGFELPQOANFZ-UHFFFAOYSA-N 0 0 195.237 2.840 10 0 AFAERN Cc1ccc([C@H](O)CC(C)(C)C)cn1 82673925 573150472 /nfs/dbraw/zinc/15/04/72/573150472.db2.gz QEBWXBDIFFPPFC-LLVKDONJSA-N 0 0 193.290 2.860 10 0 AFAERN C/C=C\CN[C@@H](CF)c1ccccc1 308505107 573150520 /nfs/dbraw/zinc/15/05/20/573150520.db2.gz IGYPVPIELRSFIQ-DLGQBQFBSA-N 0 0 193.265 2.863 10 0 AFAERN C/C=C\C[N@H+](C)[C@H](C)c1ccco1 308288416 573150535 /nfs/dbraw/zinc/15/05/35/573150535.db2.gz FMPKCPZXJIHVJK-UMCURTJPSA-N 0 0 179.263 2.849 10 0 AFAERN CC(C)(C)C[C@@H](O)C1CCCC1 82673748 573150561 /nfs/dbraw/zinc/15/05/61/573150561.db2.gz KJPICWIEJSUVIQ-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1nc(SC(C)(C)C)ccc1N 123722088 573150608 /nfs/dbraw/zinc/15/06/08/573150608.db2.gz BDZKSEFFXWVGFJ-UHFFFAOYSA-N 0 0 196.319 2.863 10 0 AFAERN Cc1ccc([C@@H](O)CC(C)(C)C)cn1 82673927 573150746 /nfs/dbraw/zinc/15/07/46/573150746.db2.gz QEBWXBDIFFPPFC-NSHDSACASA-N 0 0 193.290 2.860 10 0 AFAERN CCc1c(C)cnc2c(N)cccc12 238292037 573150759 /nfs/dbraw/zinc/15/07/59/573150759.db2.gz RKFGUVFKDJIQJF-UHFFFAOYSA-N 0 0 186.258 2.688 10 0 AFAERN CC(C)(C)OC(=O)Cc1ccsc1 82671082 573151411 /nfs/dbraw/zinc/15/14/11/573151411.db2.gz MOAHAJQWMOMVFS-UHFFFAOYSA-N 0 0 198.287 2.632 10 0 AFAERN C/C=C/CN[C@H](CF)c1ccccc1 308505111 573151412 /nfs/dbraw/zinc/15/14/12/573151412.db2.gz IGYPVPIELRSFIQ-QAVQXKDTSA-N 0 0 193.265 2.863 10 0 AFAERN O=[N+]([O-])/C=C/c1cc2ccccc2o1 82670394 573151419 /nfs/dbraw/zinc/15/14/19/573151419.db2.gz DVYHAMNILPOJFT-AATRIKPKSA-N 0 0 189.170 2.680 10 0 AFAERN Cc1ccoc1C(=O)OC(C)(C)C 82671075 573151440 /nfs/dbraw/zinc/15/14/40/573151440.db2.gz DFQABBPNCNPRLR-UHFFFAOYSA-N 0 0 182.219 2.543 10 0 AFAERN C/C=C/C[N@H+](C)[C@H](C)c1ccco1 308288415 573151443 /nfs/dbraw/zinc/15/14/43/573151443.db2.gz FMPKCPZXJIHVJK-ORAHPGNNSA-N 0 0 179.263 2.849 10 0 AFAERN CC(C)c1ccc2ccnc(N)c2c1 123723172 573151505 /nfs/dbraw/zinc/15/15/05/573151505.db2.gz DKGMOZWJBRFDQS-UHFFFAOYSA-N 0 0 186.258 2.940 10 0 AFAERN CCO/C=C(/CC(C)C)C(=O)C1CC1 379484151 573151661 /nfs/dbraw/zinc/15/16/61/573151661.db2.gz CZABXPAYVVDFMQ-FLIBITNWSA-N 0 0 196.290 2.932 10 0 AFAERN C/C=C\COC(=O)[C@@H]1C[C@]1(C)CC 308288437 573151582 /nfs/dbraw/zinc/15/15/82/573151582.db2.gz FNSKRULYIZJYFW-WLFBYUSQSA-N 0 0 182.263 2.542 10 0 AFAERN CCn1cc(NC[C@H](C)C(C)C)cn1 308504829 573151624 /nfs/dbraw/zinc/15/16/24/573151624.db2.gz DDKACRQNRROILW-JTQLQIEISA-N 0 0 195.310 2.607 10 0 AFAERN CC[C@@](C)(Cl)[C@H](C)C(C)=O 238291981 573151642 /nfs/dbraw/zinc/15/16/42/573151642.db2.gz GGLSFFRPKHTEJF-HTRCEHHLSA-N 0 0 162.660 2.619 10 0 AFAERN C/C=C/C=C/C(=O)OC[C@@H](C)CC 308287520 573151675 /nfs/dbraw/zinc/15/16/75/573151675.db2.gz FDHSLNMVFCDGJZ-ZZZIEWOQSA-N 0 0 182.263 2.708 10 0 AFAERN CC[C@@H](C)CC(=O)O[C@@H](C)C1CC1 308288497 573151690 /nfs/dbraw/zinc/15/16/90/573151690.db2.gz FQUNFWYTTBHGOH-BDAKNGLRSA-N 0 0 184.279 2.764 10 0 AFAERN CCOC(=O)c1cc2ccsc2o1 238292371 573151714 /nfs/dbraw/zinc/15/17/14/573151714.db2.gz YEWURNWLWFISKJ-UHFFFAOYSA-N 0 0 196.227 2.671 10 0 AFAERN C/C=C/C[N@H+](C)[C@@H](C)c1ccco1 308288417 573151739 /nfs/dbraw/zinc/15/17/39/573151739.db2.gz FMPKCPZXJIHVJK-YEZKRMTDSA-N 0 0 179.263 2.849 10 0 AFAERN CC(C)(C)C[C@@H](O)c1cncc(F)c1 82673892 573151899 /nfs/dbraw/zinc/15/18/99/573151899.db2.gz KNEADGFFNYNPJR-SNVBAGLBSA-N 0 0 197.253 2.690 10 0 AFAERN C[C@@H](O)c1cnc(CC(C)(C)C)s1 82674837 573151924 /nfs/dbraw/zinc/15/19/24/573151924.db2.gz ZSNHEMCXFFLWRG-SSDOTTSWSA-N 0 0 199.319 2.785 10 0 AFAERN CC[C@@H](C)CNC(=O)OC1CCCC1 308504285 573151972 /nfs/dbraw/zinc/15/19/72/573151972.db2.gz YCCIMPQVDDPKQH-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN C/C=C\CN[C@H](CF)c1ccccc1 308505114 573152049 /nfs/dbraw/zinc/15/20/49/573152049.db2.gz IGYPVPIELRSFIQ-ZZKXABKFSA-N 0 0 193.265 2.863 10 0 AFAERN CC(C)c1ccc(F)c(C=O)c1 82667920 573152128 /nfs/dbraw/zinc/15/21/28/573152128.db2.gz LVYVCJKHCSIVOT-UHFFFAOYSA-N 0 0 166.195 2.762 10 0 AFAERN CC(C)Cc1cc(C=O)ccc1F 82667914 573152183 /nfs/dbraw/zinc/15/21/83/573152183.db2.gz XADYKCGUZASBNV-UHFFFAOYSA-N 0 0 180.222 2.837 10 0 AFAERN CCc1c(C)oc(C)c1C(C)=O 238292657 573152220 /nfs/dbraw/zinc/15/22/20/573152220.db2.gz YZCHEHUCEIQHAI-UHFFFAOYSA-N 0 0 166.220 2.661 10 0 AFAERN C[C@@H]1CCC[C@@H](C)C1(N)C(F)(F)F 82670644 573152302 /nfs/dbraw/zinc/15/23/02/573152302.db2.gz GHQYALIVTMMCDZ-RNFRBKRXSA-N 0 0 195.228 2.702 10 0 AFAERN CCCc1ccc(C)c(O)c1 115011426 573152503 /nfs/dbraw/zinc/15/25/03/573152503.db2.gz FBIRMMLBFOFVGU-UHFFFAOYSA-N 0 0 150.221 2.653 10 0 AFAERN CC[C@@](C)(F)[C@H]([NH3+])c1ccccc1 238292102 573152490 /nfs/dbraw/zinc/15/24/90/573152490.db2.gz BUDRYSXQXUIOQO-GHMZBOCLSA-N 0 0 181.254 2.825 10 0 AFAERN CCn1c(Cl)cnc1C(C)C 258544318 573152665 /nfs/dbraw/zinc/15/26/65/573152665.db2.gz NVQQGNNOWAKIDV-UHFFFAOYSA-N 0 0 172.659 2.680 10 0 AFAERN CCc1ccc2c(N)ccc(O)c2c1 238292082 573152762 /nfs/dbraw/zinc/15/27/62/573152762.db2.gz RHPBCUDFEJOSPM-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN Cc1nc(SCC(C)C)ccc1N 123722996 573152829 /nfs/dbraw/zinc/15/28/29/573152829.db2.gz PQOIBVFLUIOZKN-UHFFFAOYSA-N 0 0 196.319 2.720 10 0 AFAERN CCOc1ccc(OC)c2cc[nH]c12 238291999 573152840 /nfs/dbraw/zinc/15/28/40/573152840.db2.gz DDTOSXXPPZGEQF-UHFFFAOYSA-N 0 0 191.230 2.575 10 0 AFAERN CCC1CCC(N)(C(F)(F)F)CC1 82670810 573152859 /nfs/dbraw/zinc/15/28/59/573152859.db2.gz RVFBKDOEHBQNRL-UHFFFAOYSA-N 0 0 195.228 2.846 10 0 AFAERN CC[C@@](C)(F)[C@@H]([NH3+])c1ccccc1 238292074 573152870 /nfs/dbraw/zinc/15/28/70/573152870.db2.gz BUDRYSXQXUIOQO-WDEREUQCSA-N 0 0 181.254 2.825 10 0 AFAERN CC(C)Cc1cc(F)ccc1N 82667887 573152914 /nfs/dbraw/zinc/15/29/14/573152914.db2.gz RSKTYCCHHIFAIL-UHFFFAOYSA-N 0 0 167.227 2.606 10 0 AFAERN CC[C@@H](C)NC(=S)C=C(C)C 238291876 573152995 /nfs/dbraw/zinc/15/29/95/573152995.db2.gz VGESQMLQTCDGRM-MRVPVSSYSA-N 0 0 171.309 2.668 10 0 AFAERN CC[C@@](C)(Cl)[C@@H](C)C(C)=O 238291937 573153050 /nfs/dbraw/zinc/15/30/50/573153050.db2.gz GGLSFFRPKHTEJF-POYBYMJQSA-N 0 0 162.660 2.619 10 0 AFAERN CO[C@H]1Cc2c(Cl)cccc21 258554444 573153066 /nfs/dbraw/zinc/15/30/66/573153066.db2.gz PSHDNGQLXWJSHX-VIFPVBQESA-N 0 0 168.623 2.584 10 0 AFAERN CC(C)CC(C)(C)C(=O)OC1CC1 308283903 573153173 /nfs/dbraw/zinc/15/31/73/573153173.db2.gz XYRULRXOHCUFKX-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN CCc1noc2c(N)cc(Cl)cc12 238292821 573153299 /nfs/dbraw/zinc/15/32/99/573153299.db2.gz ZWVOKINWHSTWMT-UHFFFAOYSA-N 0 0 196.637 2.626 10 0 AFAERN CCS/C=C/Br 238292473 573153309 /nfs/dbraw/zinc/15/33/09/573153309.db2.gz OKMFEWRDBLRJFW-ONEGZZNKSA-N 0 0 167.071 2.606 10 0 AFAERN CC(C)(C)C[C@H](O)C1CCCC1 82673746 573153320 /nfs/dbraw/zinc/15/33/20/573153320.db2.gz KJPICWIEJSUVIQ-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)Cc1cccc(C=O)c1 82667916 573153373 /nfs/dbraw/zinc/15/33/73/573153373.db2.gz PAKVVBUMZKSHFZ-UHFFFAOYSA-N 0 0 162.232 2.698 10 0 AFAERN CCSCOc1ccc(C=O)cc1 308284572 573153382 /nfs/dbraw/zinc/15/33/82/573153382.db2.gz ZVVLJRQJLIMFIT-UHFFFAOYSA-N 0 0 196.271 2.589 10 0 AFAERN CC[C@H](O)[C@H]1CC=C(C)C1(C)C 115096041 573158013 /nfs/dbraw/zinc/15/80/13/573158013.db2.gz OAOMPGIZMZXHLU-ZJUUUORDSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)(C)C[C@H](O)c1cncc(F)c1 82673890 573153625 /nfs/dbraw/zinc/15/36/25/573153625.db2.gz KNEADGFFNYNPJR-JTQLQIEISA-N 0 0 197.253 2.690 10 0 AFAERN CCCc1ccc(O)c(CC)c1 115053642 573153926 /nfs/dbraw/zinc/15/39/26/573153926.db2.gz PBYQIPORGDZOGS-UHFFFAOYSA-N 0 0 164.248 2.907 10 0 AFAERN CC(C)Cc1ccc(C=O)c(F)c1 82667912 573153991 /nfs/dbraw/zinc/15/39/91/573153991.db2.gz QEAYKGCSKDBEIY-UHFFFAOYSA-N 0 0 180.222 2.837 10 0 AFAERN FC1(F)CCCN(c2ccccc2)C1 259348367 573153998 /nfs/dbraw/zinc/15/39/98/573153998.db2.gz OHMLIJIUVWLLDW-UHFFFAOYSA-N 0 0 197.228 2.922 10 0 AFAERN CCSc1nc[nH]c1C(C)C 238292550 573154036 /nfs/dbraw/zinc/15/40/36/573154036.db2.gz BQEVRKXOFQNDFP-UHFFFAOYSA-N 0 0 170.281 2.645 10 0 AFAERN CCC[C@@H](C)C(=O)OC(C)(C)C 82671140 573154111 /nfs/dbraw/zinc/15/41/11/573154111.db2.gz NNHSWENJPPLKPW-MRVPVSSYSA-N 0 0 172.268 2.764 10 0 AFAERN C[C@](N)(C1CCCCC1)C(F)(F)F 82670746 573154196 /nfs/dbraw/zinc/15/41/96/573154196.db2.gz WOSYLJKUXNPVAA-QMMMGPOBSA-N 0 0 195.228 2.846 10 0 AFAERN C[C@@](N)(C1CCCCC1)C(F)(F)F 82670744 573154223 /nfs/dbraw/zinc/15/42/23/573154223.db2.gz WOSYLJKUXNPVAA-MRVPVSSYSA-N 0 0 195.228 2.846 10 0 AFAERN Cc1cc(-c2cccc(N)c2)co1 115032339 573154296 /nfs/dbraw/zinc/15/42/96/573154296.db2.gz LOESFYXDHTUCQF-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN C[C@H](O)c1cnc(CC(C)(C)C)s1 82674836 573155161 /nfs/dbraw/zinc/15/51/61/573155161.db2.gz ZSNHEMCXFFLWRG-ZETCQYMHSA-N 0 0 199.319 2.785 10 0 AFAERN Cc1ccc(N)c(CC(C)C)c1 82667882 573154337 /nfs/dbraw/zinc/15/43/37/573154337.db2.gz XONVNMMDFXSYGR-UHFFFAOYSA-N 0 0 163.264 2.776 10 0 AFAERN C/C=C1/CC[C@@H]2C[C@@H](O)CC[C@]12C 223915213 573154345 /nfs/dbraw/zinc/15/43/45/573154345.db2.gz NKKZEOXRMQHVFE-UBVZEVQESA-N 0 0 180.291 2.894 10 0 AFAERN CNOC/C=C/c1cccc(Cl)c1 258544841 573154350 /nfs/dbraw/zinc/15/43/50/573154350.db2.gz IMOULXUDXYSSGJ-HWKANZROSA-N 0 0 197.665 2.504 10 0 AFAERN CCCOC(=O)C1(CC(C)C)CC1 308506902 573154402 /nfs/dbraw/zinc/15/44/02/573154402.db2.gz ZRKSFASTLRQRLA-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)[C@H](C)C(=O)O[C@@H](C)C1CC1 308281883 573155862 /nfs/dbraw/zinc/15/58/62/573155862.db2.gz XITTYKIHYWUIPG-IUCAKERBSA-N 0 0 184.279 2.620 10 0 AFAERN NC1(C(F)(F)F)CCCCCCC1 82670742 573154460 /nfs/dbraw/zinc/15/44/60/573154460.db2.gz NUSFCZOCIVNQQE-UHFFFAOYSA-N 0 0 195.228 2.991 10 0 AFAERN Cc1[nH]c(C(F)(F)F)nc1C(C)C 258542366 573154759 /nfs/dbraw/zinc/15/47/59/573154759.db2.gz JTUOVAMEUUWTJN-UHFFFAOYSA-N 0 0 192.184 2.860 10 0 AFAERN CCc1ccc2oncc2c1C 238294296 573154852 /nfs/dbraw/zinc/15/48/52/573154852.db2.gz OFSWWXYOXFOTOP-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CC(C)c1cc(C=O)ccc1F 82667919 573154874 /nfs/dbraw/zinc/15/48/74/573154874.db2.gz QUSFAIHLSBYEFN-UHFFFAOYSA-N 0 0 166.195 2.762 10 0 AFAERN CC(C)(C)Cc1ncc(C=O)s1 82674716 573154881 /nfs/dbraw/zinc/15/48/81/573154881.db2.gz KFZZFVQZBJVZMX-UHFFFAOYSA-N 0 0 183.276 2.544 10 0 AFAERN CCc1oc(N)cc1C(C)C 238293795 573154901 /nfs/dbraw/zinc/15/49/01/573154901.db2.gz VBJQXSZCKQNXPC-UHFFFAOYSA-N 0 0 153.225 2.548 10 0 AFAERN CNc1nccc2c(C)cc(F)cc12 123732737 573155020 /nfs/dbraw/zinc/15/50/20/573155020.db2.gz VNTCJGKAPIQTIL-UHFFFAOYSA-N 0 0 190.221 2.724 10 0 AFAERN CCCc1cc(C)cc(C)c1O 115057861 573155045 /nfs/dbraw/zinc/15/50/45/573155045.db2.gz QSEOBUMWQKSYAO-UHFFFAOYSA-N 0 0 164.248 2.962 10 0 AFAERN CCCCCOC(=O)C1(F)CCC1 308505649 573156892 /nfs/dbraw/zinc/15/68/92/573156892.db2.gz ZBLBFDQYHNSCFG-UHFFFAOYSA-N 0 0 188.242 2.612 10 0 AFAERN Nc1nccc2c(C3CC3)cccc12 123729745 573155114 /nfs/dbraw/zinc/15/51/14/573155114.db2.gz OSNSVSYYKQNBPA-UHFFFAOYSA-N 0 0 184.242 2.694 10 0 AFAERN CC(C)(C)C[C@@H](O)c1cccnc1 82673900 573155311 /nfs/dbraw/zinc/15/53/11/573155311.db2.gz HUDDRGSEOCDIPW-SNVBAGLBSA-N 0 0 179.263 2.551 10 0 AFAERN CNc1nccc2ccc(Cl)cc12 123733845 573155347 /nfs/dbraw/zinc/15/53/47/573155347.db2.gz PYRRQHAFSIBUOC-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CO[C@@H]1Cc2c(Cl)cccc21 258554442 573155361 /nfs/dbraw/zinc/15/53/61/573155361.db2.gz PSHDNGQLXWJSHX-SECBINFHSA-N 0 0 168.623 2.584 10 0 AFAERN CC(C)C(=O)CC(C)(C)C 82673546 573155537 /nfs/dbraw/zinc/15/55/37/573155537.db2.gz KJWBHOKFRSFCBZ-UHFFFAOYSA-N 0 0 142.242 2.648 10 0 AFAERN Cc1ccc(-c2ncc(Cl)o2)o1 258542092 573155545 /nfs/dbraw/zinc/15/55/45/573155545.db2.gz NQJPNXLGNCOJQM-UHFFFAOYSA-N 0 0 183.594 2.896 10 0 AFAERN CNc1ncc(-c2ccc(C)cc2)o1 258552618 573155574 /nfs/dbraw/zinc/15/55/74/573155574.db2.gz JIRJMLXVRULLAR-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CC(C)[C@@H](C)C(=O)O[C@@H](C)C1CC1 308281881 573155737 /nfs/dbraw/zinc/15/57/37/573155737.db2.gz XITTYKIHYWUIPG-BDAKNGLRSA-N 0 0 184.279 2.620 10 0 AFAERN CCCOC(=O)N[C@@H](C)C1CCCC1 308506631 573155764 /nfs/dbraw/zinc/15/57/64/573155764.db2.gz ZFGQFUMASRGKOS-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN CC(=O)CCC1(C2CCCC2)COC1 258542433 573155767 /nfs/dbraw/zinc/15/57/67/573155767.db2.gz JWBNDFBUHYQGPW-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN CCc1ccc2cnoc2c1C 238292860 573156053 /nfs/dbraw/zinc/15/60/53/573156053.db2.gz LZSYANVIUKFGKR-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCc1ccc2oncc2c1F 238294360 573156078 /nfs/dbraw/zinc/15/60/78/573156078.db2.gz ZCFVAMVDQACGMN-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN CCn1c(-c2ccco2)cnc1Cl 258553903 573156927 /nfs/dbraw/zinc/15/69/27/573156927.db2.gz ORRNNVYDONRLDD-UHFFFAOYSA-N 0 0 196.637 2.816 10 0 AFAERN Nc1ccc(F)c(-c2ccoc2)c1 115045642 573156507 /nfs/dbraw/zinc/15/65/07/573156507.db2.gz XUCUXEACXWTQAP-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CC[C@H](CC(C)=O)C(F)(F)F 238293860 573156582 /nfs/dbraw/zinc/15/65/82/573156582.db2.gz ONZWGJPTYRIXGF-ZCFIWIBFSA-N 0 0 168.158 2.554 10 0 AFAERN CC[C@@]1(c2ccccc2)CCC[C@H]1O 238293519 573156635 /nfs/dbraw/zinc/15/66/35/573156635.db2.gz LRABENUUJXXOJO-OLZOCXBDSA-N 0 0 190.286 2.879 10 0 AFAERN CC(C)[C@@H](O)[C@@H](C)c1ccccc1 82679720 573156694 /nfs/dbraw/zinc/15/66/94/573156694.db2.gz RQXRFZWBPIAXFL-CMPLNLGQSA-N 0 0 178.275 2.807 10 0 AFAERN O[C@@H](C1CCCC1)[C@H]1CC=CCC1 82678582 573156728 /nfs/dbraw/zinc/15/67/28/573156728.db2.gz RRIYOGDIAYKGGN-CMPLNLGQSA-N 0 0 180.291 2.894 10 0 AFAERN CCC[C@@H](O)c1c(F)cccc1F 82676559 573156745 /nfs/dbraw/zinc/15/67/45/573156745.db2.gz FYKXXNWMVPDYTQ-SECBINFHSA-N 0 0 186.201 2.798 10 0 AFAERN CC(C)Cc1ncc(Cl)o1 258553958 573156747 /nfs/dbraw/zinc/15/67/47/573156747.db2.gz OSYLVZPGFOSHTL-UHFFFAOYSA-N 0 0 159.616 2.527 10 0 AFAERN Cc1cn(CC2CC2)c(C)c1C 82681715 573156840 /nfs/dbraw/zinc/15/68/40/573156840.db2.gz DJURARMMSCILDB-UHFFFAOYSA-N 0 0 163.264 2.823 10 0 AFAERN COC(=O)/C=C(/C)C1=CCCCC1 225397469 573156883 /nfs/dbraw/zinc/15/68/83/573156883.db2.gz CAIJLNHCYKDMQR-HJWRWDBZSA-N 0 0 180.247 2.606 10 0 AFAERN CC[C@H](O)c1ccc([C@@H]2C[C@@H]2C)o1 82677049 573157323 /nfs/dbraw/zinc/15/73/23/573157323.db2.gz SHYJNJZJOZOYQT-YIZRAAEISA-N 0 0 180.247 2.846 10 0 AFAERN CCc1cc(SCC(C)C)ncn1 308507057 573157636 /nfs/dbraw/zinc/15/76/36/573157636.db2.gz ZVDXXMMCVRPTHJ-UHFFFAOYSA-N 0 0 196.319 2.787 10 0 AFAERN CC(C)[C@@H](O)[C@H](C)c1ccccc1 82679722 573157696 /nfs/dbraw/zinc/15/76/96/573157696.db2.gz RQXRFZWBPIAXFL-ZYHUDNBSSA-N 0 0 178.275 2.807 10 0 AFAERN CC(C)C[C@@H](O)[C@H]1CC=CCC1 82678779 573157724 /nfs/dbraw/zinc/15/77/24/573157724.db2.gz HPWGFZAVOXBIKX-WDEREUQCSA-N 0 0 168.280 2.750 10 0 AFAERN CSCC[C@@H](O)c1cccs1 82679400 573157806 /nfs/dbraw/zinc/15/78/06/573157806.db2.gz RZYDONMOEJXCEV-SSDOTTSWSA-N 0 0 188.317 2.535 10 0 AFAERN CNc1nccc2c(F)cc(F)cc12 123730794 573157809 /nfs/dbraw/zinc/15/78/09/573157809.db2.gz CXCOEHSKXLEALC-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN CSCC[C@H](O)c1cccs1 82679398 573157915 /nfs/dbraw/zinc/15/79/15/573157915.db2.gz RZYDONMOEJXCEV-ZETCQYMHSA-N 0 0 188.317 2.535 10 0 AFAERN CCc1ccc2cnoc2c1F 238292921 573158023 /nfs/dbraw/zinc/15/80/23/573158023.db2.gz OEQOIWKJMKNWBQ-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN CCc1ccc([C@H](O)C(C)C)o1 82677651 573158544 /nfs/dbraw/zinc/15/85/44/573158544.db2.gz GQTSEANCGJJHDX-SNVBAGLBSA-N 0 0 168.236 2.531 10 0 AFAERN CNc1cccc(OCC2CC2)c1 690136610 573158111 /nfs/dbraw/zinc/15/81/11/573158111.db2.gz ADRCGXNITUNEGT-UHFFFAOYSA-N 0 0 177.247 2.517 10 0 AFAERN O[C@H]1CCc2ccccc2/C1=C/Cl 225557670 573158181 /nfs/dbraw/zinc/15/81/81/573158181.db2.gz VPCAKCAHKGJOQJ-BRNRAETOSA-N 0 0 194.661 2.573 10 0 AFAERN CCc1c(Cl)[nH]c(C(C)=O)c1C 238294091 573158270 /nfs/dbraw/zinc/15/82/70/573158270.db2.gz HDVJEXAHTMPNHU-UHFFFAOYSA-N 0 0 185.654 2.742 10 0 AFAERN Cc1ccc([C@@H](O)C2CCCC2)o1 82675726 573158320 /nfs/dbraw/zinc/15/83/20/573158320.db2.gz NEUUTOLCDFWPLQ-NSHDSACASA-N 0 0 180.247 2.812 10 0 AFAERN CNc1nc(C)c(-c2ccc(C)o2)o1 259037005 573158345 /nfs/dbraw/zinc/15/83/45/573158345.db2.gz FGFGFQGIYJIKKL-UHFFFAOYSA-N 0 0 192.218 2.593 10 0 AFAERN Cc1ccc([C@H](O)C2CCCC2)o1 82675724 573158355 /nfs/dbraw/zinc/15/83/55/573158355.db2.gz NEUUTOLCDFWPLQ-LLVKDONJSA-N 0 0 180.247 2.812 10 0 AFAERN CCSc1c(N)ccc2[nH]ccc12 238293322 573158374 /nfs/dbraw/zinc/15/83/74/573158374.db2.gz ARTUPGQEVRHGBD-UHFFFAOYSA-N 0 0 192.287 2.862 10 0 AFAERN CNc1nccc2c(C)cccc12 123736232 573158394 /nfs/dbraw/zinc/15/83/94/573158394.db2.gz CCUNUFVEZHLONS-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN Fc1cc(Cl)c(F)c(F)c1F 115100302 573158421 /nfs/dbraw/zinc/15/84/21/573158421.db2.gz REYPREDAEPMPDG-UHFFFAOYSA-N 0 0 184.519 2.896 10 0 AFAERN CC(C)C[C@@H](O)[C@@H]1CC=CCC1 82678784 573158426 /nfs/dbraw/zinc/15/84/26/573158426.db2.gz HPWGFZAVOXBIKX-GHMZBOCLSA-N 0 0 168.280 2.750 10 0 AFAERN CCc1ccc2cnsc2c1F 238293014 573158594 /nfs/dbraw/zinc/15/85/94/573158594.db2.gz XOTVOOXDMKDUQA-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CC[C@H](O)c1ccnc2ccccc12 82677485 573158603 /nfs/dbraw/zinc/15/86/03/573158603.db2.gz FPYRTKHJLOPGGV-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN CCC(C)(C)COC(=O)C1(C)CC1 308285365 573158696 /nfs/dbraw/zinc/15/86/96/573158696.db2.gz DDQRHEUEIFRAKF-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CCc1ccc(C[C@@](C)(O)CC)cc1 49962265 573158751 /nfs/dbraw/zinc/15/87/51/573158751.db2.gz WDKCHNHPHUFJGZ-ZDUSSCGKSA-N 0 0 192.302 2.953 10 0 AFAERN Nc1ccccc1[C@H](CF)C1CC1 259602348 573158757 /nfs/dbraw/zinc/15/87/57/573158757.db2.gz DDKIGSNXARVPAH-SNVBAGLBSA-N 0 0 179.238 2.732 10 0 AFAERN C/C=C(\C)[C@@H](O)c1ccc(CC)o1 238293753 573158764 /nfs/dbraw/zinc/15/87/64/573158764.db2.gz KTHUABXPFWEMJU-SOZJPDODSA-N 0 0 180.247 2.842 10 0 AFAERN CNc1nccc2ccc(C)cc12 123730050 573158772 /nfs/dbraw/zinc/15/87/72/573158772.db2.gz RSJLHHCWBUXOKM-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN CCSc1c(F)cccc1OC 238293248 573158814 /nfs/dbraw/zinc/15/88/14/573158814.db2.gz XWQXEYXHUASGGB-UHFFFAOYSA-N 0 0 186.251 2.946 10 0 AFAERN C/C=C(/C=C/C(=O)OC(C)C)CC 308285815 573159928 /nfs/dbraw/zinc/15/99/28/573159928.db2.gz DHHIWLOINJKZFC-LZIZUESTSA-N 0 0 182.263 2.851 10 0 AFAERN CCCCC(=O)OC1(C2CC2)CC1 308285148 573158894 /nfs/dbraw/zinc/15/88/94/573158894.db2.gz ARCCEUICEOEUQM-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN C/C=C/C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 82699107 573158984 /nfs/dbraw/zinc/15/89/84/573158984.db2.gz JNWWDQAFXOAKLX-OXMQDWPZSA-N 0 0 195.306 2.503 10 0 AFAERN CC[C@@]1(c2ccccc2)CCC[C@@H]1O 238293508 573159944 /nfs/dbraw/zinc/15/99/44/573159944.db2.gz LRABENUUJXXOJO-STQMWFEESA-N 0 0 190.286 2.879 10 0 AFAERN Cc1ccc2ncc(C=O)c(C)c2c1 257954677 573159108 /nfs/dbraw/zinc/15/91/08/573159108.db2.gz WRRVFHTWSTXPNW-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN CCC[C@@H](O)[C@H]1CC=CCC1 82678686 573159113 /nfs/dbraw/zinc/15/91/13/573159113.db2.gz URCBSMLGMBCTRZ-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN O[C@H](C1CCCC1)[C@@H]1CC=CCC1 82678589 573159177 /nfs/dbraw/zinc/15/91/77/573159177.db2.gz RRIYOGDIAYKGGN-PWSUYJOCSA-N 0 0 180.291 2.894 10 0 AFAERN O[C@@H](C1CCCC1)[C@@H]1CC=CCC1 82678587 573159379 /nfs/dbraw/zinc/15/93/79/573159379.db2.gz RRIYOGDIAYKGGN-ZYHUDNBSSA-N 0 0 180.291 2.894 10 0 AFAERN CNc1nccc2c(Cl)cccc12 123733044 573159399 /nfs/dbraw/zinc/15/93/99/573159399.db2.gz QFWQYJGDAIMMDQ-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN C[C@H]1C[C@@](O)(C2=CCCCC2)CS1 235725453 573159411 /nfs/dbraw/zinc/15/94/11/573159411.db2.gz BLAZRNYAQHAOPC-ONGXEEELSA-N 0 0 198.331 2.743 10 0 AFAERN CCC(CC)[C@H](O)CC(C)C 82676728 573159458 /nfs/dbraw/zinc/15/94/58/573159458.db2.gz INYVEGHMUSVVJO-SNVBAGLBSA-N 0 0 158.285 2.830 10 0 AFAERN C=CNC(=O)O[C@H](C)c1ccccc1 115138919 573159479 /nfs/dbraw/zinc/15/94/79/573159479.db2.gz QSQOSGLXWQCEAN-SECBINFHSA-N 0 0 191.230 2.617 10 0 AFAERN CNc1nccc2c(C)cc(C)cc12 123730540 573159618 /nfs/dbraw/zinc/15/96/18/573159618.db2.gz WHZXIDPKSGTKDV-UHFFFAOYSA-N 0 0 186.258 2.893 10 0 AFAERN Cc1c[nH]c2ccc([C@@H](C)O)cc12 257954517 573159656 /nfs/dbraw/zinc/15/96/56/573159656.db2.gz FKOBRIWBWVMAMH-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN CC1(OC(=O)CCC(F)F)CCC1 308285286 573159719 /nfs/dbraw/zinc/15/97/19/573159719.db2.gz CZMQTPBVGCORGL-UHFFFAOYSA-N 0 0 192.205 2.518 10 0 AFAERN O[C@H](C1CCCC1)[C@H]1CC=CCC1 82678585 573159794 /nfs/dbraw/zinc/15/97/94/573159794.db2.gz RRIYOGDIAYKGGN-JQWIXIFHSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@H](C)NC(=O)C[C@H](C)C(C)C 308285836 573159811 /nfs/dbraw/zinc/15/98/11/573159811.db2.gz DIEPTBQTDSDIPH-UWVGGRQHSA-N 0 0 185.311 2.583 10 0 AFAERN CCC[C@H](O)[C@H]1CC=CCC1 82678683 573159813 /nfs/dbraw/zinc/15/98/13/573159813.db2.gz URCBSMLGMBCTRZ-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN CCc1ccc2cnsc2c1OC 238293031 573159773 /nfs/dbraw/zinc/15/97/73/573159773.db2.gz GVVMXICWSQSBEC-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN F[C@H]1CNc2cc(Cl)ccc21 257954651 573159829 /nfs/dbraw/zinc/15/98/29/573159829.db2.gz WPYCVYMFBFAJSX-ZETCQYMHSA-N 0 0 171.602 2.776 10 0 AFAERN CC[C@H](O)c1ccc([C@H]2C[C@@H]2C)o1 82677051 573159832 /nfs/dbraw/zinc/15/98/32/573159832.db2.gz SHYJNJZJOZOYQT-CIUDSAMLSA-N 0 0 180.247 2.846 10 0 AFAERN CC[C@@H](O)[C@H]1CC=C(C)C1(C)C 115096040 573159921 /nfs/dbraw/zinc/15/99/21/573159921.db2.gz OAOMPGIZMZXHLU-NXEZZACHSA-N 0 0 168.280 2.750 10 0 AFAERN C/C=C(/C=C\C(=O)OC(C)C)CC 308285814 573160959 /nfs/dbraw/zinc/16/09/59/573160959.db2.gz DHHIWLOINJKZFC-GBLFQTLVSA-N 0 0 182.263 2.851 10 0 AFAERN C[C@@H](CF)N[C@@H](C)c1ccccc1F 308510855 573160221 /nfs/dbraw/zinc/16/02/21/573160221.db2.gz JJPQBTRUHLTEQQ-IUCAKERBSA-N 0 0 199.244 2.834 10 0 AFAERN CC[C@@H]1[C@@H](C)CCC(=O)[C@@H]1C 238294746 573160940 /nfs/dbraw/zinc/16/09/40/573160940.db2.gz DWYWYMRQPYNDPT-DJLDLDEBSA-N 0 0 154.253 2.648 10 0 AFAERN CCc1cccc2c(NC)nccc12 123737477 573160445 /nfs/dbraw/zinc/16/04/45/573160445.db2.gz MHYWMCGZWNCGOZ-UHFFFAOYSA-N 0 0 186.258 2.839 10 0 AFAERN CC(C)C[C@H](O)[C@@H]1CC=CCC1 82678782 573160473 /nfs/dbraw/zinc/16/04/73/573160473.db2.gz HPWGFZAVOXBIKX-MNOVXSKESA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H]1CCC[C@@H](Nn2cccc2)C1 85828655 573160925 /nfs/dbraw/zinc/16/09/25/573160925.db2.gz PZUJFDLIBFSEPZ-GHMZBOCLSA-N 0 0 178.279 2.610 10 0 AFAERN C[C@@H]1CCC[C@@H](C)C1Nn1cccc1 85828799 573160945 /nfs/dbraw/zinc/16/09/45/573160945.db2.gz XACYXGNFPJQVSV-GHMZBOCLSA-N 0 0 192.306 2.856 10 0 AFAERN CCOCc1cc2c(O)cccc2o1 257958893 573160636 /nfs/dbraw/zinc/16/06/36/573160636.db2.gz HQIOAMZFGCLDJC-UHFFFAOYSA-N 0 0 192.214 2.675 10 0 AFAERN CCO[C@H]1CCOc2ccccc21 238294826 573160679 /nfs/dbraw/zinc/16/06/79/573160679.db2.gz CKSZQPYOCYRWDX-NSHDSACASA-N 0 0 178.231 2.547 10 0 AFAERN CCc1ccc([C@@H](O)C2=CCCC2)o1 85827151 573160690 /nfs/dbraw/zinc/16/06/90/573160690.db2.gz LIWFHGIMMJOVTJ-LBPRGKRZSA-N 0 0 192.258 2.986 10 0 AFAERN CC[C@H]1c2ccc(N)cc2NC[C@@H]1C 238294830 573160694 /nfs/dbraw/zinc/16/06/94/573160694.db2.gz AVGBHJKERQHWAM-WCBMZHEXSA-N 0 0 190.290 2.824 10 0 AFAERN CCCc1cc(Cl)c(Cl)nn1 259349415 573160706 /nfs/dbraw/zinc/16/07/06/573160706.db2.gz GFSISAZBYAMCMT-UHFFFAOYSA-N 0 0 191.061 2.736 10 0 AFAERN CC[C@H]1c2ccc(O)cc2NC[C@@H]1C 238294845 573160876 /nfs/dbraw/zinc/16/08/76/573160876.db2.gz GGEVJXKOOGNSMS-WCBMZHEXSA-N 0 0 191.274 2.947 10 0 AFAERN CCc1ccc2sncc2c1F 238294648 573160967 /nfs/dbraw/zinc/16/09/67/573160967.db2.gz JKKQXCGOUUBRER-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CC/C=C/C(=O)NC(C)(C)CCC 308285686 573160976 /nfs/dbraw/zinc/16/09/76/573160976.db2.gz BTWJGDSQRADIRL-BQYQJAHWSA-N 0 0 183.295 2.648 10 0 AFAERN C[C@H]1C[C@H](Nn2cccc2)CC[C@H]1C 85828259 573161075 /nfs/dbraw/zinc/16/10/75/573161075.db2.gz WNDZRUOOYQDAJF-GRYCIOLGSA-N 0 0 192.306 2.856 10 0 AFAERN CNc1nccc2c(F)c(F)ccc12 123737718 573161100 /nfs/dbraw/zinc/16/11/00/573161100.db2.gz SWYQQKSXLVSNPX-UHFFFAOYSA-N 0 0 194.184 2.555 10 0 AFAERN C[C@H](Nn1cccc1)c1ccsc1 85829491 573161108 /nfs/dbraw/zinc/16/11/08/573161108.db2.gz IIKDFLPUOZJKDY-VIFPVBQESA-N 0 0 192.287 2.854 10 0 AFAERN C[C@@H]1CC[C@H](Nn2cccc2)[C@H](C)C1 85829115 573161200 /nfs/dbraw/zinc/16/12/00/573161200.db2.gz IJWHZBQTINRYLU-UTUOFQBUSA-N 0 0 192.306 2.856 10 0 AFAERN C[C@@H](Nn1cccc1)c1ccsc1 85829493 573161215 /nfs/dbraw/zinc/16/12/15/573161215.db2.gz IIKDFLPUOZJKDY-SECBINFHSA-N 0 0 192.287 2.854 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@H]1Nn1cccc1 85828262 573161221 /nfs/dbraw/zinc/16/12/21/573161221.db2.gz LHAOKRDKRYCREW-GRYCIOLGSA-N 0 0 192.306 2.856 10 0 AFAERN CC[C@H]1C(=O)CCCC[C@@H]1C 238294761 573161224 /nfs/dbraw/zinc/16/12/24/573161224.db2.gz WKYFUBCJZPDMTG-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1ccc2sncc2c1OC 238294663 573161254 /nfs/dbraw/zinc/16/12/54/573161254.db2.gz AVXYIYBHSYBQDH-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN Cc1ccc(C)n1NC1CCCC1 85829789 573161626 /nfs/dbraw/zinc/16/16/26/573161626.db2.gz JSQPNWNNLMZILJ-UHFFFAOYSA-N 0 0 178.279 2.591 10 0 AFAERN CC(C)C[C@H](O)[C@H]1CC=CCC1 82678777 573161691 /nfs/dbraw/zinc/16/16/91/573161691.db2.gz HPWGFZAVOXBIKX-QWRGUYRKSA-N 0 0 168.280 2.750 10 0 AFAERN CCC[C@H](O)[C@@H]1CC=CCC1 82678689 573161753 /nfs/dbraw/zinc/16/17/53/573161753.db2.gz URCBSMLGMBCTRZ-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CCn1ccc2cccc([C@H](C)O)c21 257954768 573161768 /nfs/dbraw/zinc/16/17/68/573161768.db2.gz SDHLJOSLXIUBDY-VIFPVBQESA-N 0 0 189.258 2.715 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@H](Nn2cccc2)C1 85828265 573161769 /nfs/dbraw/zinc/16/17/69/573161769.db2.gz LHAOKRDKRYCREW-IJLUTSLNSA-N 0 0 192.306 2.856 10 0 AFAERN CC(C)C(C(C)C)[C@H](O)c1ccc[nH]1 308507201 573161790 /nfs/dbraw/zinc/16/17/90/573161790.db2.gz ZPCUEWUVUPFLOI-GFCCVEGCSA-N 0 0 195.306 2.976 10 0 AFAERN CCC(CC)(CC)CCO 115066961 573161791 /nfs/dbraw/zinc/16/17/91/573161791.db2.gz TYGDPJRYTIJZMG-UHFFFAOYSA-N 0 0 144.258 2.585 10 0 AFAERN CC(C)[C@H](O)[C@@H](C)c1ccccc1 82679719 573161818 /nfs/dbraw/zinc/16/18/18/573161818.db2.gz RQXRFZWBPIAXFL-JQWIXIFHSA-N 0 0 178.275 2.807 10 0 AFAERN CCC[C@H](O)c1c(F)cccc1F 82676557 573161828 /nfs/dbraw/zinc/16/18/28/573161828.db2.gz FYKXXNWMVPDYTQ-VIFPVBQESA-N 0 0 186.201 2.798 10 0 AFAERN CCC1(CC)C(=O)N[C@H]1[C@H](C)C(C)C 308507259 573161837 /nfs/dbraw/zinc/16/18/37/573161837.db2.gz GKWPVYCTMQOBBP-ZJUUUORDSA-N 0 0 197.322 2.583 10 0 AFAERN CCC[C@H](C)NC(=O)OCC(C)C 308507297 573161846 /nfs/dbraw/zinc/16/18/46/573161846.db2.gz ZWFVQWBUYWUCQM-VIFPVBQESA-N 0 0 187.283 2.557 10 0 AFAERN Cc1ccc(C)n1NCC1CCCC1 85829533 573161871 /nfs/dbraw/zinc/16/18/71/573161871.db2.gz DUPMUOWEHCNWPF-UHFFFAOYSA-N 0 0 192.306 2.839 10 0 AFAERN CCC1(CC)C(=O)N[C@@H]1[C@@H](C)C(C)C 308507257 573161891 /nfs/dbraw/zinc/16/18/91/573161891.db2.gz GKWPVYCTMQOBBP-VHSXEESVSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@](C)(Nc1ccccc1)C(C)=O 238297081 573162423 /nfs/dbraw/zinc/16/24/23/573162423.db2.gz LNOXSEUMXHVVOC-GFCCVEGCSA-N 0 0 191.274 2.856 10 0 AFAERN Cc1ccc(C)n1N[C@@H]1CCC[C@@H]1C 85829706 573161931 /nfs/dbraw/zinc/16/19/31/573161931.db2.gz VUSNZCVURKLMFJ-JOYOIKCWSA-N 0 0 192.306 2.837 10 0 AFAERN Cc1ccc(C)n1N[C@H]1CCC[C@H]1C 85829711 573161958 /nfs/dbraw/zinc/16/19/58/573161958.db2.gz VUSNZCVURKLMFJ-SKDRFNHKSA-N 0 0 192.306 2.837 10 0 AFAERN CC[C@@H]1[C@H](C)CCC(=O)[C@@H]1C 238297555 573161962 /nfs/dbraw/zinc/16/19/62/573161962.db2.gz DWYWYMRQPYNDPT-IWSPIJDZSA-N 0 0 154.253 2.648 10 0 AFAERN CCc1cccc(-c2nncs2)c1 238297876 573162008 /nfs/dbraw/zinc/16/20/08/573162008.db2.gz YXIRQKAUZZRSLH-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN CC(C)Nc1ccc(N=O)cc1 115068696 573162031 /nfs/dbraw/zinc/16/20/31/573162031.db2.gz LRLNDSNCJRPCHU-UHFFFAOYSA-N 0 0 164.208 2.905 10 0 AFAERN Cc1cc(F)ccc1-c1ncc[nH]1 82703683 573162058 /nfs/dbraw/zinc/16/20/58/573162058.db2.gz UALPCKZMVIVVBN-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN C[C@@H]1CC(Nn2cccc2)C[C@@H](C)C1 85829096 573162152 /nfs/dbraw/zinc/16/21/52/573162152.db2.gz CNIGHUAVZPYOLA-QWRGUYRKSA-N 0 0 192.306 2.856 10 0 AFAERN CC[C@@H](O)[C@@H]1CC=C(C)C1(C)C 115096036 573162160 /nfs/dbraw/zinc/16/21/60/573162160.db2.gz OAOMPGIZMZXHLU-VHSXEESVSA-N 0 0 168.280 2.750 10 0 AFAERN Cc1ccc(CNn2cccc2)s1 85828361 573162178 /nfs/dbraw/zinc/16/21/78/573162178.db2.gz LNOYVLQRCPHQTF-UHFFFAOYSA-N 0 0 192.287 2.602 10 0 AFAERN C[C@@H]1CCC[C@H](CNn2cccc2)C1 85829126 573162195 /nfs/dbraw/zinc/16/21/95/573162195.db2.gz WQXXSLGEWSEVLV-NEPJUHHUSA-N 0 0 192.306 2.858 10 0 AFAERN Cc1ccc(C)n1N[C@@H]1CC[C@@H](C)C1 85830056 573162235 /nfs/dbraw/zinc/16/22/35/573162235.db2.gz IHZZVTVUAITELD-BXKDBHETSA-N 0 0 192.306 2.837 10 0 AFAERN CCSc1cc(N)ccc1CC 238297827 573162277 /nfs/dbraw/zinc/16/22/77/573162277.db2.gz JCMBVGDCZQNMBT-UHFFFAOYSA-N 0 0 181.304 2.943 10 0 AFAERN CCSc1cc(F)ccc1O 238296668 573162288 /nfs/dbraw/zinc/16/22/88/573162288.db2.gz GKJINWFYZMDWBY-UHFFFAOYSA-N 0 0 172.224 2.643 10 0 AFAERN CC[C@H]1c2ccccc2[C@@H](O)[C@H]1C 238297889 573162326 /nfs/dbraw/zinc/16/23/26/573162326.db2.gz IHLICGWVGVZGSW-SBMIAAHKSA-N 0 0 176.259 2.863 10 0 AFAERN Cc1ccc(C)n1N[C@@H]1CCC[C@H]1C 85829710 573162361 /nfs/dbraw/zinc/16/23/61/573162361.db2.gz VUSNZCVURKLMFJ-BXKDBHETSA-N 0 0 192.306 2.837 10 0 AFAERN Cc1c[nH]c2ccc([C@H](C)O)cc12 257954521 573162373 /nfs/dbraw/zinc/16/23/73/573162373.db2.gz FKOBRIWBWVMAMH-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN F[C@@H]1CNc2cc(Cl)ccc21 257954650 573162746 /nfs/dbraw/zinc/16/27/46/573162746.db2.gz WPYCVYMFBFAJSX-SSDOTTSWSA-N 0 0 171.602 2.776 10 0 AFAERN Cc1cccc(-c2cccc(N)c2)n1 115097957 573162448 /nfs/dbraw/zinc/16/24/48/573162448.db2.gz OEYMYEWCEPMXGO-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN C[C@@H]1CC[C@@H](Nn2cccc2)[C@H](C)C1 85829117 573162741 /nfs/dbraw/zinc/16/27/41/573162741.db2.gz IJWHZBQTINRYLU-IJLUTSLNSA-N 0 0 192.306 2.856 10 0 AFAERN Cc1ccc(Cl)c2c1cnn2C 219009824 573162471 /nfs/dbraw/zinc/16/24/71/573162471.db2.gz NWSLDNGVJHFHNB-UHFFFAOYSA-N 0 0 180.638 2.535 10 0 AFAERN CC[C@H]1C(=O)CCCC[C@H]1C 238297576 573162570 /nfs/dbraw/zinc/16/25/70/573162570.db2.gz WKYFUBCJZPDMTG-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1ccc2ccc(Cl)c(O)c2n1 115067927 573162580 /nfs/dbraw/zinc/16/25/80/573162580.db2.gz QLHYQTWFNLIXMZ-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN C[C@H]1C[C@@H](Nn2cccc2)CC[C@H]1C 85828255 573162581 /nfs/dbraw/zinc/16/25/81/573162581.db2.gz WNDZRUOOYQDAJF-WOPDTQHZSA-N 0 0 192.306 2.856 10 0 AFAERN C[C@H]1CCCC[C@@H]1Nn1cccc1 85829358 573162592 /nfs/dbraw/zinc/16/25/92/573162592.db2.gz PKFGILLYBMTARG-QWRGUYRKSA-N 0 0 178.279 2.610 10 0 AFAERN CCSc1cc(N)cc(CC)c1 238297689 573162680 /nfs/dbraw/zinc/16/26/80/573162680.db2.gz SSRNPNVXZPYRHL-UHFFFAOYSA-N 0 0 181.304 2.943 10 0 AFAERN CC1=C([C@H](C)O)CCC1(C)C 115104121 573162683 /nfs/dbraw/zinc/16/26/83/573162683.db2.gz JTLZFDHJPRIDFL-QMMMGPOBSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H]1CCC[C@H](CNn2cccc2)C1 85829128 573162987 /nfs/dbraw/zinc/16/29/87/573162987.db2.gz WQXXSLGEWSEVLV-RYUDHWBXSA-N 0 0 192.306 2.858 10 0 AFAERN C(=Cc1cc[nH]n1)c1ccccc1 82188784 573163037 /nfs/dbraw/zinc/16/30/37/573163037.db2.gz NFLQSIIRRGMWIY-SREVYHEPSA-N 0 0 170.215 2.580 10 0 AFAERN Cc1ccc(C)n1N[C@@H](C)C1(C)CC1 85829677 573163047 /nfs/dbraw/zinc/16/30/47/573163047.db2.gz XWHQEZIANHGTTC-NSHDSACASA-N 0 0 192.306 2.837 10 0 AFAERN O[C@@H]1c2cccc3cccc(c23)[C@H]2C[C@@H]12 218971156 573163063 /nfs/dbraw/zinc/16/30/63/573163063.db2.gz VMUZEPSQIJUQQG-YRGRVCCFSA-N 0 0 196.249 2.990 10 0 AFAERN Nc1csc(-c2ccccc2)c1N 115155582 573163797 /nfs/dbraw/zinc/16/37/97/573163797.db2.gz FCEWHXMPJPOKKL-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN CC1(OC(=O)CCC2CC2)CCC1 308284923 573163097 /nfs/dbraw/zinc/16/30/97/573163097.db2.gz CYZJTVNJJNLGNN-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CC[C@@H](C)NC(=O)C[C@H](C)C(C)C 308285837 573163106 /nfs/dbraw/zinc/16/31/06/573163106.db2.gz DIEPTBQTDSDIPH-VHSXEESVSA-N 0 0 185.311 2.583 10 0 AFAERN CCC1(CC)C(=O)N[C@H]1[C@@H](C)C(C)C 308507255 573163109 /nfs/dbraw/zinc/16/31/09/573163109.db2.gz GKWPVYCTMQOBBP-UWVGGRQHSA-N 0 0 197.322 2.583 10 0 AFAERN C/C=C\CC(C)(CO)C/C=C/C 225465766 573163142 /nfs/dbraw/zinc/16/31/42/573163142.db2.gz HIJRYRSCXPUARW-XGXWUAJZSA-N 0 0 168.280 2.917 10 0 AFAERN C/C=C\CC(C)(CO)C/C=C\C 225465731 573163160 /nfs/dbraw/zinc/16/31/60/573163160.db2.gz HIJRYRSCXPUARW-PEPZGXQESA-N 0 0 168.280 2.917 10 0 AFAERN C[C@H](Nn1cccc1)c1cccs1 85829167 573163168 /nfs/dbraw/zinc/16/31/68/573163168.db2.gz GVKFEQQHVICKFL-VIFPVBQESA-N 0 0 192.287 2.854 10 0 AFAERN C[C@H]1C[C@H](C)CCN1C(=O)C(C)(C)C 82738155 573163256 /nfs/dbraw/zinc/16/32/56/573163256.db2.gz CZODELAJRABOAZ-ZJUUUORDSA-N 0 0 197.322 2.680 10 0 AFAERN CCn1ccc2cccc([C@@H](C)O)c21 257954765 573163302 /nfs/dbraw/zinc/16/33/02/573163302.db2.gz SDHLJOSLXIUBDY-SECBINFHSA-N 0 0 189.258 2.715 10 0 AFAERN CC(C)C(C(C)C)[C@@H](O)c1ccc[nH]1 308507204 573163332 /nfs/dbraw/zinc/16/33/32/573163332.db2.gz ZPCUEWUVUPFLOI-LBPRGKRZSA-N 0 0 195.306 2.976 10 0 AFAERN CCc1ccc([C@H](O)C2=CCCC2)o1 85827149 573163358 /nfs/dbraw/zinc/16/33/58/573163358.db2.gz LIWFHGIMMJOVTJ-GFCCVEGCSA-N 0 0 192.258 2.986 10 0 AFAERN CN(c1ccc(F)c(F)c1)C1CC1 238296467 573163391 /nfs/dbraw/zinc/16/33/91/573163391.db2.gz ZDUCTUHDNCCDCQ-UHFFFAOYSA-N 0 0 183.201 2.563 10 0 AFAERN Cc1cc(C)c(C)c(F)c1 115132728 573163475 /nfs/dbraw/zinc/16/34/75/573163475.db2.gz JEWRVXUTAZWZAD-UHFFFAOYSA-N 0 0 138.185 2.751 10 0 AFAERN CCC1(CC)C(=O)N[C@@H]1[C@H](C)C(C)C 308507253 573163485 /nfs/dbraw/zinc/16/34/85/573163485.db2.gz GKWPVYCTMQOBBP-NXEZZACHSA-N 0 0 197.322 2.583 10 0 AFAERN CCc1ccc(C(=O)OC(C)(C)C)o1 85827014 573163507 /nfs/dbraw/zinc/16/35/07/573163507.db2.gz CQAQNCZZUPYNMG-UHFFFAOYSA-N 0 0 196.246 2.797 10 0 AFAERN CCCCc1noc(C=C(C)C)n1 308284782 573163540 /nfs/dbraw/zinc/16/35/40/573163540.db2.gz BEUUAVLMJVROJN-UHFFFAOYSA-N 0 0 180.251 2.835 10 0 AFAERN CC1=C([C@@H](C)O)CCC1(C)C 115104119 573163582 /nfs/dbraw/zinc/16/35/82/573163582.db2.gz JTLZFDHJPRIDFL-MRVPVSSYSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H](Nn1cccc1)c1cccs1 85829168 573163593 /nfs/dbraw/zinc/16/35/93/573163593.db2.gz GVKFEQQHVICKFL-SECBINFHSA-N 0 0 192.287 2.854 10 0 AFAERN CC[C@@H](C)NC(=O)C[C@@H](C)C(C)C 308285835 573163610 /nfs/dbraw/zinc/16/36/10/573163610.db2.gz DIEPTBQTDSDIPH-NXEZZACHSA-N 0 0 185.311 2.583 10 0 AFAERN C[C@@H]1CCCC[C@H]1Nn1cccc1 85829359 573163622 /nfs/dbraw/zinc/16/36/22/573163622.db2.gz PKFGILLYBMTARG-GHMZBOCLSA-N 0 0 178.279 2.610 10 0 AFAERN CCC[C@@H](C)NC(=O)OCC(C)C 308507296 573163623 /nfs/dbraw/zinc/16/36/23/573163623.db2.gz ZWFVQWBUYWUCQM-SECBINFHSA-N 0 0 187.283 2.557 10 0 AFAERN C[C@@H]1CCC[C@@H](Nn2cccc2)[C@@H]1C 85828980 573163637 /nfs/dbraw/zinc/16/36/37/573163637.db2.gz HAWRNLCCCPGMFR-IJLUTSLNSA-N 0 0 192.306 2.856 10 0 AFAERN c1ccn(NC2CCCCCC2)c1 85828480 573163786 /nfs/dbraw/zinc/16/37/86/573163786.db2.gz CRTNLEAKHVVDQP-UHFFFAOYSA-N 0 0 178.279 2.754 10 0 AFAERN c1ccn(NCC2CCCCC2)c1 85828333 573163779 /nfs/dbraw/zinc/16/37/79/573163779.db2.gz VSVNFOLEXWQMBB-UHFFFAOYSA-N 0 0 178.279 2.612 10 0 AFAERN C[C@@H]1CCCC[C@@H]1Nn1cccc1 85829356 573164158 /nfs/dbraw/zinc/16/41/58/573164158.db2.gz PKFGILLYBMTARG-MNOVXSKESA-N 0 0 178.279 2.610 10 0 AFAERN C[C@@H]1CCC[C@H](Nn2cccc2)C1 85828653 573164176 /nfs/dbraw/zinc/16/41/76/573164176.db2.gz PZUJFDLIBFSEPZ-MNOVXSKESA-N 0 0 178.279 2.610 10 0 AFAERN CCC(CC)Nn1c(C)ccc1C 85829993 573164182 /nfs/dbraw/zinc/16/41/82/573164182.db2.gz FPQMDKYWBNMHCX-UHFFFAOYSA-N 0 0 180.295 2.837 10 0 AFAERN C[C@H]1CC(Nn2cccc2)C[C@H](C)C1 85829098 573164191 /nfs/dbraw/zinc/16/41/91/573164191.db2.gz CNIGHUAVZPYOLA-GHMZBOCLSA-N 0 0 192.306 2.856 10 0 AFAERN C/C=C/COC(=O)[C@@H](C)CC(C)C 308290437 573164335 /nfs/dbraw/zinc/16/43/35/573164335.db2.gz GRODSDSOQWVRLZ-PORFMDCZSA-N 0 0 184.279 2.788 10 0 AFAERN CC[C@H](C)C(=O)OCc1ccsc1 308289114 573165219 /nfs/dbraw/zinc/16/52/19/573165219.db2.gz GATZVHIWSWDGJK-QMMMGPOBSA-N 0 0 198.287 2.837 10 0 AFAERN Cc1ccc(C)n1N[C@H]1CCC[C@@H]1C 85829708 573164595 /nfs/dbraw/zinc/16/45/95/573164595.db2.gz VUSNZCVURKLMFJ-CABZTGNLSA-N 0 0 192.306 2.837 10 0 AFAERN CC1CCC(CNn2cccc2)CC1 85829002 573164604 /nfs/dbraw/zinc/16/46/04/573164604.db2.gz BWKJYTYTELQIGE-UHFFFAOYSA-N 0 0 192.306 2.858 10 0 AFAERN C[C@@H]1CCC[C@@H](CNn2cccc2)C1 85829129 573164678 /nfs/dbraw/zinc/16/46/78/573164678.db2.gz WQXXSLGEWSEVLV-VXGBXAGGSA-N 0 0 192.306 2.858 10 0 AFAERN Cc1ccccc1CNn1cccc1 85828287 573164701 /nfs/dbraw/zinc/16/47/01/573164701.db2.gz GUFZRILMWRDKCL-UHFFFAOYSA-N 0 0 186.258 2.540 10 0 AFAERN Cc1ccsc1CNn1cccc1 85828663 573164712 /nfs/dbraw/zinc/16/47/12/573164712.db2.gz YHYXKQGFAWXVCO-UHFFFAOYSA-N 0 0 192.287 2.602 10 0 AFAERN CCNc1nccc2c(F)cccc12 123749074 573164792 /nfs/dbraw/zinc/16/47/92/573164792.db2.gz BRBXGGFKXFSUEZ-UHFFFAOYSA-N 0 0 190.221 2.806 10 0 AFAERN Cc1ccc(C)n1NC1CCCCC1 85830004 573164839 /nfs/dbraw/zinc/16/48/39/573164839.db2.gz JUABNECETULZSR-UHFFFAOYSA-N 0 0 192.306 2.981 10 0 AFAERN C[C@H]1CCCC[C@H]1Nn1cccc1 85829362 573164845 /nfs/dbraw/zinc/16/48/45/573164845.db2.gz PKFGILLYBMTARG-WDEREUQCSA-N 0 0 178.279 2.610 10 0 AFAERN CCc1c(C)[nH]c2c1C(=O)CCCC2 238297941 573164872 /nfs/dbraw/zinc/16/48/72/573164872.db2.gz IMBYXSXJBNPZRU-UHFFFAOYSA-N 0 0 191.274 2.795 10 0 AFAERN C/C=C(\CC)C(=O)OCC(C)(C)C 308290131 573164937 /nfs/dbraw/zinc/16/49/37/573164937.db2.gz GPQGBAMBRRBHJO-RMKNXTFCSA-N 0 0 184.279 2.932 10 0 AFAERN Cc1ccc(C)n1N[C@@H]1CC[C@H](C)C1 85830052 573164951 /nfs/dbraw/zinc/16/49/51/573164951.db2.gz IHZZVTVUAITELD-JOYOIKCWSA-N 0 0 192.306 2.837 10 0 AFAERN CCSc1cc(N)ccc1F 238297855 573164996 /nfs/dbraw/zinc/16/49/96/573164996.db2.gz LEIJIBPZMLSZLG-UHFFFAOYSA-N 0 0 171.240 2.520 10 0 AFAERN C[C@@H](Nn1cccc1)C1CCCC1 85829454 573165037 /nfs/dbraw/zinc/16/50/37/573165037.db2.gz GZITZEHFNUOZAE-SNVBAGLBSA-N 0 0 178.279 2.610 10 0 AFAERN Cc1ccc(C)n1N[C@H]1CC[C@@H](C)C1 85830058 573165042 /nfs/dbraw/zinc/16/50/42/573165042.db2.gz IHZZVTVUAITELD-SKDRFNHKSA-N 0 0 192.306 2.837 10 0 AFAERN C[C@@H]1CCC[C@H](Nn2cccc2)[C@@H]1C 85828977 573165049 /nfs/dbraw/zinc/16/50/49/573165049.db2.gz HAWRNLCCCPGMFR-UTUOFQBUSA-N 0 0 192.306 2.856 10 0 AFAERN CC[C@@H]1C(=O)C(C)(C)C1(C)C 238297121 573165054 /nfs/dbraw/zinc/16/50/54/573165054.db2.gz WBKMOUGIRILHID-SSDOTTSWSA-N 0 0 154.253 2.648 10 0 AFAERN CCc1cccc(C)c1-n1cccn1 238298178 573165156 /nfs/dbraw/zinc/16/51/56/573165156.db2.gz HUEXHQSBESSQEK-UHFFFAOYSA-N 0 0 186.258 2.743 10 0 AFAERN Cc1ccc(CNn2cccc2)cc1 85828794 573165178 /nfs/dbraw/zinc/16/51/78/573165178.db2.gz JNDXEYCBPNYVNE-UHFFFAOYSA-N 0 0 186.258 2.540 10 0 AFAERN CC[C@H]1CC[C@H](Nn2cccc2)C1 85828969 573165250 /nfs/dbraw/zinc/16/52/50/573165250.db2.gz HAVOLWQDAHIGNE-QWRGUYRKSA-N 0 0 178.279 2.610 10 0 AFAERN CC(C)c1oc(=O)[nH]c1C(C)(C)C 257957637 573165268 /nfs/dbraw/zinc/16/52/68/573165268.db2.gz XBKBEKIUPILIJD-UHFFFAOYSA-N 0 0 183.251 2.801 10 0 AFAERN C/C=C\C(=O)OCCCC(C)(C)C 308286030 573165288 /nfs/dbraw/zinc/16/52/88/573165288.db2.gz DMKYHWRIKOSUEC-ALCCZGGFSA-N 0 0 184.279 2.932 10 0 AFAERN CCC(C)(C)OC(=O)[C@@H](F)C(C)C 308289380 573165361 /nfs/dbraw/zinc/16/53/61/573165361.db2.gz GCSLGXYCOATTMS-QMMMGPOBSA-N 0 0 190.258 2.712 10 0 AFAERN CC1CCC(Nn2cccc2)CC1 85829352 573165364 /nfs/dbraw/zinc/16/53/64/573165364.db2.gz RSUNESIPUQTIPE-UHFFFAOYSA-N 0 0 178.279 2.610 10 0 AFAERN Cc1ccc([C@@H](C)Nn2cccc2)o1 85828678 573165389 /nfs/dbraw/zinc/16/53/89/573165389.db2.gz NUDTWFJJWSBDPP-SNVBAGLBSA-N 0 0 190.246 2.694 10 0 AFAERN Cc1ccc(C)n1N[C@H]1CC[C@H](C)C1 85830054 573165547 /nfs/dbraw/zinc/16/55/47/573165547.db2.gz IHZZVTVUAITELD-CABZTGNLSA-N 0 0 192.306 2.837 10 0 AFAERN Cc1ccc(C)n1N[C@@H](C)C(C)C 85829997 573165587 /nfs/dbraw/zinc/16/55/87/573165587.db2.gz MAZJRLVLLOGDKF-NSHDSACASA-N 0 0 180.295 2.693 10 0 AFAERN C[C@H]1CCC[C@H](Nn2cccc2)C1 85828654 573165594 /nfs/dbraw/zinc/16/55/94/573165594.db2.gz PZUJFDLIBFSEPZ-QWRGUYRKSA-N 0 0 178.279 2.610 10 0 AFAERN Cc1ccc(C)n1NCC(C)(C)C 85829863 573165686 /nfs/dbraw/zinc/16/56/86/573165686.db2.gz OOOAPAZDYLKWAN-UHFFFAOYSA-N 0 0 180.295 2.695 10 0 AFAERN C[C@H](Nn1cccc1)C1CCCC1 85829452 573165695 /nfs/dbraw/zinc/16/56/95/573165695.db2.gz GZITZEHFNUOZAE-JTQLQIEISA-N 0 0 178.279 2.610 10 0 AFAERN CC[C@@H]1C(=O)CCC2=C1CCC2 238297323 573165700 /nfs/dbraw/zinc/16/57/00/573165700.db2.gz YMYILJLMEWJQFQ-VIFPVBQESA-N 0 0 164.248 2.856 10 0 AFAERN Cc1cccc(N(C)C2CC2)c1C 238296613 573165730 /nfs/dbraw/zinc/16/57/30/573165730.db2.gz GJEGPTPDUYYQAX-UHFFFAOYSA-N 0 0 175.275 2.902 10 0 AFAERN Cc1nc(N)ccc1-c1cccs1 82730139 573165774 /nfs/dbraw/zinc/16/57/74/573165774.db2.gz YGXUAWGYRFEZMQ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC[C@@H]1C(=O)CC1(CC)CC 238297290 573165782 /nfs/dbraw/zinc/16/57/82/573165782.db2.gz WDYCFIDRRNMZJH-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN C/C=C/C(=O)OCCCC(C)(C)C 308286033 573165785 /nfs/dbraw/zinc/16/57/85/573165785.db2.gz DMKYHWRIKOSUEC-FNORWQNLSA-N 0 0 184.279 2.932 10 0 AFAERN CCCOCc1ccc(N)cc1Cl 49963864 573165815 /nfs/dbraw/zinc/16/58/15/573165815.db2.gz ZXVKAEMIAGBUFU-UHFFFAOYSA-N 0 0 199.681 2.849 10 0 AFAERN CCSc1cc(O)cc(F)c1 238298134 573165833 /nfs/dbraw/zinc/16/58/33/573165833.db2.gz UXOREFFZGGZJHZ-UHFFFAOYSA-N 0 0 172.224 2.643 10 0 AFAERN CCO[C@](C)(CC)C(=O)C1CCCC1 159345047 573165913 /nfs/dbraw/zinc/16/59/13/573165913.db2.gz HTRIICOCHMXZAQ-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN C=C(/C=C\Cl)SC 225514516 573165981 /nfs/dbraw/zinc/16/59/81/573165981.db2.gz CLHDVCNVDOFWOU-ARJAWSKDSA-N 0 0 134.631 2.616 10 0 AFAERN CCc1ccc(CC[C@@H](C)O)cc1 49962875 573166002 /nfs/dbraw/zinc/16/60/02/573166002.db2.gz QKNSZUOAYVUSCX-SNVBAGLBSA-N 0 0 178.275 2.562 10 0 AFAERN CC[C@]1(C)CC[C@@H](C)[C@@H](O)C1 238304074 573175527 /nfs/dbraw/zinc/17/55/27/573175527.db2.gz FLNOUIOXCGYSJZ-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN CCSc1cc(F)cc(OC)c1 238296501 573166064 /nfs/dbraw/zinc/16/60/64/573166064.db2.gz KVQAKVXMZMVEOQ-UHFFFAOYSA-N 0 0 186.251 2.946 10 0 AFAERN CCO[C@@](C)(CC)C(=O)CCC1CC1 159337200 573166085 /nfs/dbraw/zinc/16/60/85/573166085.db2.gz KBVKJLWKCDUUEK-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(CC)N(C)C(=O)[C@@H](C)CC 308300421 573166255 /nfs/dbraw/zinc/16/62/55/573166255.db2.gz LQDFEFWEHKDMPF-VIFPVBQESA-N 0 0 185.311 2.680 10 0 AFAERN Cc1cc(C)c2c(c1)NCc1c[nH]nc1-2 527418131 573167080 /nfs/dbraw/zinc/16/70/80/573167080.db2.gz BUYYZUNRHDHJNZ-UHFFFAOYSA-N 0 0 199.257 2.619 10 0 AFAERN C[C@@H](O)c1ccn(CC2CCCC2)c1 85833828 573168039 /nfs/dbraw/zinc/16/80/39/573168039.db2.gz JUAPLWCGSTVHAW-SNVBAGLBSA-N 0 0 193.290 2.732 10 0 AFAERN Clc1ccc2c(c1)OCC=C2 104675118 573167062 /nfs/dbraw/zinc/16/70/62/573167062.db2.gz HXNAZLCBACJSMS-UHFFFAOYSA-N 0 0 166.607 2.746 10 0 AFAERN CNc1nc(-c2cccc(F)c2)co1 258562632 573167072 /nfs/dbraw/zinc/16/70/72/573167072.db2.gz KIICIAIEHPWUGI-UHFFFAOYSA-N 0 0 192.193 2.522 10 0 AFAERN O=C(/C=C\c1ccccc1)n1cccc1 82218601 573167108 /nfs/dbraw/zinc/16/71/08/573167108.db2.gz HDEBNIVZHWCOPZ-HJWRWDBZSA-N 0 0 197.237 2.842 10 0 AFAERN CC(C)Nc1cccc(N(C)C)c1 82710827 573168056 /nfs/dbraw/zinc/16/80/56/573168056.db2.gz WEZDUGARYTVXLJ-UHFFFAOYSA-N 0 0 178.279 2.573 10 0 AFAERN CCO[C@@](C)(CC)C(=O)C1CCCC1 159344907 573167187 /nfs/dbraw/zinc/16/71/87/573167187.db2.gz HTRIICOCHMXZAQ-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)c1ccn(CC2CCCC2)c1 85832873 573167288 /nfs/dbraw/zinc/16/72/88/573167288.db2.gz CIVYZJQLZDRJQJ-UHFFFAOYSA-N 0 0 191.274 2.881 10 0 AFAERN Nc1cc(F)cc(SCC2CC2)c1 82718331 573167384 /nfs/dbraw/zinc/16/73/84/573167384.db2.gz PPPLSDCMKKPWJL-UHFFFAOYSA-N 0 0 197.278 2.910 10 0 AFAERN CCOC(CC)(CC)C(=O)C(C)C 159348948 573167395 /nfs/dbraw/zinc/16/73/95/573167395.db2.gz YWXPKWQLMDANQG-UHFFFAOYSA-N 0 0 186.295 2.807 10 0 AFAERN CCc1ccc(CC[C@@H](O)CC)cc1 49962886 573167421 /nfs/dbraw/zinc/16/74/21/573167421.db2.gz PVPSKSHANOPBRZ-ZDUSSCGKSA-N 0 0 192.302 2.953 10 0 AFAERN Cc1cc(-c2cccs2)cnc1N 82730027 573167511 /nfs/dbraw/zinc/16/75/11/573167511.db2.gz ZZSTURGRSAPXOC-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCC(CC)N(C)C(=O)[C@H](C)CC 308300420 573167588 /nfs/dbraw/zinc/16/75/88/573167588.db2.gz LQDFEFWEHKDMPF-SECBINFHSA-N 0 0 185.311 2.680 10 0 AFAERN CCSc1cc(O)ccc1OC 238298428 573167589 /nfs/dbraw/zinc/16/75/89/573167589.db2.gz DWQWXPGILOJLJF-UHFFFAOYSA-N 0 0 184.260 2.513 10 0 AFAERN C/C=C(\CC)C(=O)O[C@H](C)C(F)F 308299808 573167659 /nfs/dbraw/zinc/16/76/59/573167659.db2.gz LEMQNVPESPUDOP-LTYDNXFVSA-N 0 0 192.205 2.540 10 0 AFAERN C[C@H]1CCN(C(=O)C(C)(C)C)[C@H](C)C1 82738154 573167662 /nfs/dbraw/zinc/16/76/62/573167662.db2.gz CZODELAJRABOAZ-VHSXEESVSA-N 0 0 197.322 2.680 10 0 AFAERN Cc1cc(N)ncc1-c1cccs1 82730389 573167728 /nfs/dbraw/zinc/16/77/28/573167728.db2.gz MGBYLMRXDFFCKN-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(=O)c1ccn(CC=C(C)C)c1 85833001 573167792 /nfs/dbraw/zinc/16/77/92/573167792.db2.gz BSAHYCADTGCTQB-UHFFFAOYSA-N 0 0 177.247 2.657 10 0 AFAERN C=C=C(C1CCCC1)[C@@H](O)CC 238303278 573167848 /nfs/dbraw/zinc/16/78/48/573167848.db2.gz NFWAQHMYPQDRMI-NSHDSACASA-N 0 0 166.264 2.659 10 0 AFAERN CCO[C@](C)(CC)C(=O)CCC1CC1 159337326 573167928 /nfs/dbraw/zinc/16/79/28/573167928.db2.gz KBVKJLWKCDUUEK-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN C/C=C(/CC)C(=O)OCC(C)(C)C 308290132 573168477 /nfs/dbraw/zinc/16/84/77/573168477.db2.gz GPQGBAMBRRBHJO-TWGQIWQCSA-N 0 0 184.279 2.932 10 0 AFAERN C[C@H](O)c1cccn1CC1CCCC1 85833133 573168493 /nfs/dbraw/zinc/16/84/93/573168493.db2.gz ZFYKNCJXOLXFAV-JTQLQIEISA-N 0 0 193.290 2.732 10 0 AFAERN CC[C@]1(C)CCCC(=O)[C@H]1C 238303703 573168515 /nfs/dbraw/zinc/16/85/15/573168515.db2.gz OKGQKCMHFMUWRK-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN C/C=C\COC(=O)[C@H](C)CC(C)C 308290438 573168533 /nfs/dbraw/zinc/16/85/33/573168533.db2.gz GRODSDSOQWVRLZ-WWQCOOJYSA-N 0 0 184.279 2.788 10 0 AFAERN CCC(C)(C)C(=O)OCC1(C)CC1 308300419 573168589 /nfs/dbraw/zinc/16/85/89/573168589.db2.gz LQCVNZORMBDOJS-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CCCCC(=O)[C@](C)(CC)OCC 159337051 573168593 /nfs/dbraw/zinc/16/85/93/573168593.db2.gz PTJCMSAUFFTKDN-NSHDSACASA-N 0 0 186.295 2.951 10 0 AFAERN CC[C@]1(C)CCCC(=O)[C@@H]1C 238303679 573168606 /nfs/dbraw/zinc/16/86/06/573168606.db2.gz OKGQKCMHFMUWRK-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1cccc(SC)c1OC 238303092 573168630 /nfs/dbraw/zinc/16/86/30/573168630.db2.gz WNQPBMVDZLWSOY-UHFFFAOYSA-N 0 0 182.288 2.980 10 0 AFAERN CCSc1cc(O)ccc1F 238298357 573168754 /nfs/dbraw/zinc/16/87/54/573168754.db2.gz GKAOQSVQSZCXLI-UHFFFAOYSA-N 0 0 172.224 2.643 10 0 AFAERN CC[C@@H](C)Nc1ccc([C@H](C)O)cc1 238298644 573168782 /nfs/dbraw/zinc/16/87/82/573168782.db2.gz WIUANAWEWBPAGH-ZJUUUORDSA-N 0 0 193.290 2.950 10 0 AFAERN CCOc1cccc(/C=C/N)c1Cl 238303606 573168812 /nfs/dbraw/zinc/16/88/12/573168812.db2.gz FPZDFRQDJWKGDI-VOTSOKGWSA-N 0 0 197.665 2.668 10 0 AFAERN C[C@H](F)c1ccc(Cl)nc1 258562103 573168847 /nfs/dbraw/zinc/16/88/47/573168847.db2.gz QOYSIDQHFXYJTI-YFKPBYRVSA-N 0 0 159.591 2.766 10 0 AFAERN COC(=O)[C@H](C)[C@H](C)c1ccccc1 82200797 573168902 /nfs/dbraw/zinc/16/89/02/573168902.db2.gz RTBLGSDOURZOPN-VHSXEESVSA-N 0 0 192.258 2.599 10 0 AFAERN CCc1c(C)cc2nccn2c1C 238298531 573169011 /nfs/dbraw/zinc/16/90/11/573169011.db2.gz XRYODDCHVNBTST-UHFFFAOYSA-N 0 0 174.247 2.514 10 0 AFAERN O=CSc1ccc(Cl)cc1 259351985 573169038 /nfs/dbraw/zinc/16/90/38/573169038.db2.gz YWOWKAGDWBRVOX-UHFFFAOYSA-N 0 0 172.636 2.622 10 0 AFAERN CC(C)=CCn1ccc([C@@H](C)O)c1 85834486 573169406 /nfs/dbraw/zinc/16/94/06/573169406.db2.gz CXHIUEHUIBQFQI-SNVBAGLBSA-N 0 0 179.263 2.508 10 0 AFAERN CC(=O)c1cccn1CC1CCCC1 85832569 573169066 /nfs/dbraw/zinc/16/90/66/573169066.db2.gz OEFJTTMCKYXGSD-UHFFFAOYSA-N 0 0 191.274 2.881 10 0 AFAERN CCC(=O)Cc1ccc(CC)cc1 49962354 573169130 /nfs/dbraw/zinc/16/91/30/573169130.db2.gz IRIAPQOFCJRMPP-UHFFFAOYSA-N 0 0 176.259 2.771 10 0 AFAERN CCC[C@@H](O)Cc1ccc(CC)cc1 49962453 573169185 /nfs/dbraw/zinc/16/91/85/573169185.db2.gz ZSTVPKSGXDZHIO-CYBMUJFWSA-N 0 0 192.302 2.953 10 0 AFAERN CC[C@@H](C)C(=O)OCc1ccsc1 308289113 573169227 /nfs/dbraw/zinc/16/92/27/573169227.db2.gz GATZVHIWSWDGJK-MRVPVSSYSA-N 0 0 198.287 2.837 10 0 AFAERN CC[C@@H]1CCC/C(=C(\F)CO)C1 238303675 573169304 /nfs/dbraw/zinc/16/93/04/573169304.db2.gz DMTKFBMXFBDHQA-KGSKPCQNSA-N 0 0 172.243 2.803 10 0 AFAERN C[C@@H](O)c1cccn1CC1CCCC1 85833135 573169315 /nfs/dbraw/zinc/16/93/15/573169315.db2.gz ZFYKNCJXOLXFAV-SNVBAGLBSA-N 0 0 193.290 2.732 10 0 AFAERN CC[C@H](C(N)=O)C1=C(C)C(C)(C)CC1 238302994 573169338 /nfs/dbraw/zinc/16/93/38/573169338.db2.gz SCEHCBKQPKQYJU-VIFPVBQESA-N 0 0 195.306 2.634 10 0 AFAERN C/C=C(\CC)C(=O)O[C@@H](C)C(F)F 308299809 573169342 /nfs/dbraw/zinc/16/93/42/573169342.db2.gz LEMQNVPESPUDOP-PDKRUMACSA-N 0 0 192.205 2.540 10 0 AFAERN C[C@H](O)c1ccn(CC2CCCC2)c1 85833827 573169580 /nfs/dbraw/zinc/16/95/80/573169580.db2.gz JUAPLWCGSTVHAW-JTQLQIEISA-N 0 0 193.290 2.732 10 0 AFAERN CCc1ccc(C[C@@H](O)C(C)C)cc1 49962437 573169591 /nfs/dbraw/zinc/16/95/91/573169591.db2.gz FDLJBXMKSLSVPO-CYBMUJFWSA-N 0 0 192.302 2.808 10 0 AFAERN CC[C@H](C)COC(=O)C[C@@H]1C[C@@H]1C 308291376 573169670 /nfs/dbraw/zinc/16/96/70/573169670.db2.gz HFSHJGXGXNYIGW-GUBZILKMSA-N 0 0 184.279 2.622 10 0 AFAERN Cc1nsc2cc([C@@H](C)O)ccc12 257958256 573169703 /nfs/dbraw/zinc/16/97/03/573169703.db2.gz BQNYWIYEEXVPIM-SSDOTTSWSA-N 0 0 193.271 2.658 10 0 AFAERN CC[C@H](C)COC(=O)C[C@H]1C[C@@H]1C 308291378 573169721 /nfs/dbraw/zinc/16/97/21/573169721.db2.gz HFSHJGXGXNYIGW-LPEHRKFASA-N 0 0 184.279 2.622 10 0 AFAERN C=C=C([C@@H](O)CC)C(C)(C)C 238303268 573169747 /nfs/dbraw/zinc/16/97/47/573169747.db2.gz HCSUBWNYFXIDLU-VIFPVBQESA-N 0 0 154.253 2.515 10 0 AFAERN CC(C)[C@H]([NH3+])c1cccc([S-])c1 104676086 573169800 /nfs/dbraw/zinc/16/98/00/573169800.db2.gz RWLBMPYRPZHMNY-JTQLQIEISA-N 0 0 181.304 2.631 10 0 AFAERN CCc1c[nH]c(-c2ccncc2)c1C 238303189 573169805 /nfs/dbraw/zinc/16/98/05/573169805.db2.gz HLUDWJVMSKDLHL-UHFFFAOYSA-N 0 0 186.258 2.948 10 0 AFAERN C/C=C/COC(=O)C1CCCCC1 308291995 573169812 /nfs/dbraw/zinc/16/98/12/573169812.db2.gz HQUFFNCRRCANFD-NSCUHMNNSA-N 0 0 182.263 2.686 10 0 AFAERN Cc1coc2c([C@H](C)CO)cccc12 257958282 573169825 /nfs/dbraw/zinc/16/98/25/573169825.db2.gz BRIGUTXFEDQGFT-MRVPVSSYSA-N 0 0 190.242 2.837 10 0 AFAERN CCc1ccn2cncc2c1Cl 238298501 573169842 /nfs/dbraw/zinc/16/98/42/573169842.db2.gz XRLZPQBYWAUQMX-UHFFFAOYSA-N 0 0 180.638 2.550 10 0 AFAERN C[C@H](O)Cc1ccc([C@@H](C)F)cc1 257958188 573169849 /nfs/dbraw/zinc/16/98/49/573169849.db2.gz BOMNFCIJHFUAQM-DTWKUNHWSA-N 0 0 182.238 2.640 10 0 AFAERN Cc1nsc2cc([C@H](C)O)ccc12 257958258 573169927 /nfs/dbraw/zinc/16/99/27/573169927.db2.gz BQNYWIYEEXVPIM-ZETCQYMHSA-N 0 0 193.271 2.658 10 0 AFAERN CCCOC(=O)[C@@H]1CC=CC[C@@H]1C 225523463 573169920 /nfs/dbraw/zinc/16/99/20/573169920.db2.gz LACJQPGZRQDXNL-VHSXEESVSA-N 0 0 182.263 2.542 10 0 AFAERN [NH3+][C@H](CC1CC1)c1ccccc1[S-] 104676452 573169970 /nfs/dbraw/zinc/16/99/70/573169970.db2.gz CZTQGIBKVCWZKE-SNVBAGLBSA-N 0 0 193.315 2.775 10 0 AFAERN CCOC(CC)(CC)C(=O)CC1CC1 159351581 573169977 /nfs/dbraw/zinc/16/99/77/573169977.db2.gz HTJSCYIITLSBEM-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)[C@@H]([NH3+])c1cccc([S-])c1 104676091 573170000 /nfs/dbraw/zinc/17/00/00/573170000.db2.gz RWLBMPYRPZHMNY-SNVBAGLBSA-N 0 0 181.304 2.631 10 0 AFAERN CC[C@@H](C)Nc1ncc(C(C)=O)s1 238298872 573170101 /nfs/dbraw/zinc/17/01/01/573170101.db2.gz PKOKHHUWQRSBET-ZCFIWIBFSA-N 0 0 198.291 2.556 10 0 AFAERN C[C@H](F)c1ccc(C[C@@H](C)O)cc1 257958186 573170119 /nfs/dbraw/zinc/17/01/19/573170119.db2.gz BOMNFCIJHFUAQM-BDAKNGLRSA-N 0 0 182.238 2.640 10 0 AFAERN CC[C@H](C)CC(=O)OC[C@H]1C[C@@H]1C 308291421 573170033 /nfs/dbraw/zinc/17/00/33/573170033.db2.gz HIWNHEDQBLFRPF-LPEHRKFASA-N 0 0 184.279 2.622 10 0 AFAERN CC(=O)c1cccn1CC=C(C)C 85832694 573170170 /nfs/dbraw/zinc/17/01/70/573170170.db2.gz RKTXIZUIWQXVJU-UHFFFAOYSA-N 0 0 177.247 2.657 10 0 AFAERN CCC[C@@H](C1CC1)n1nc(C)cc1N 308508173 573170183 /nfs/dbraw/zinc/17/01/83/573170183.db2.gz ATGCBNDVVYJCCL-JTQLQIEISA-N 0 0 193.294 2.525 10 0 AFAERN CCO[C@@](C)(CC)C(=O)CC1CCC1 159342411 573170208 /nfs/dbraw/zinc/17/02/08/573170208.db2.gz PYJVITGIPVRGGD-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CCOC(CC)(CC)C(=O)C1CC1 159354071 573170255 /nfs/dbraw/zinc/17/02/55/573170255.db2.gz NPMSYRUESFMUFZ-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN S=C1CSC=C1Br 104676657 573170518 /nfs/dbraw/zinc/17/05/18/573170518.db2.gz ZYLAMUQPHKYZNZ-UHFFFAOYSA-N 0 0 195.106 2.799 10 0 AFAERN C[C@@H](O)Cc1ccc([C@@H](C)F)cc1 257958190 573170548 /nfs/dbraw/zinc/17/05/48/573170548.db2.gz BOMNFCIJHFUAQM-RKDXNWHRSA-N 0 0 182.238 2.640 10 0 AFAERN CCc1ccc(C[C@H](O)C2CC2)cc1 49962454 573170992 /nfs/dbraw/zinc/17/09/92/573170992.db2.gz ICBCDXLTSORDLN-ZDUSSCGKSA-N 0 0 190.286 2.562 10 0 AFAERN CC[C@@H]1CCC(=O)CC1(C)C 238303142 573171002 /nfs/dbraw/zinc/17/10/02/573171002.db2.gz JZGXPQPKMNERNG-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN [S-]c1ccc([C@H]2CCCC[NH2+]2)cc1 104678199 573171010 /nfs/dbraw/zinc/17/10/10/573171010.db2.gz ZFCQFHMHGQVYBE-LLVKDONJSA-N 0 0 193.315 2.790 10 0 AFAERN CNC(=O)SCc1ccc(C)cc1 238303650 573171267 /nfs/dbraw/zinc/17/12/67/573171267.db2.gz AKXZCGWFUFVXMB-UHFFFAOYSA-N 0 0 195.287 2.568 10 0 AFAERN CC(C)C=C1C=CC=C1 115225565 573171282 /nfs/dbraw/zinc/17/12/82/573171282.db2.gz GTZQESAMRQJMPF-UHFFFAOYSA-N 0 0 120.195 2.695 10 0 AFAERN CC[C@@]1(C)CC=C(CO)CC1 238303613 573171392 /nfs/dbraw/zinc/17/13/92/573171392.db2.gz FLZSBZQMUDNEPI-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN CC[C@]1(C)CC=C(C)CC1=O 238303492 573171398 /nfs/dbraw/zinc/17/13/98/573171398.db2.gz USSRTAYFUPJHKH-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CC[C@@H](C)Nc1cccc(NC)c1 238298669 573171468 /nfs/dbraw/zinc/17/14/68/573171468.db2.gz HBAOHHWNFACXPE-SECBINFHSA-N 0 0 178.279 2.939 10 0 AFAERN Cc1cccc(Oc2cncnc2)c1 258565262 573171473 /nfs/dbraw/zinc/17/14/73/573171473.db2.gz PFCDHBYXSJDOOP-UHFFFAOYSA-N 0 0 186.214 2.577 10 0 AFAERN CC[C@H](C)CC(=O)OC[C@H]1C[C@H]1C 308291419 573171615 /nfs/dbraw/zinc/17/16/15/573171615.db2.gz HIWNHEDQBLFRPF-IVZWLZJFSA-N 0 0 184.279 2.622 10 0 AFAERN CCSc1cccc(C)c1O 238303572 573171656 /nfs/dbraw/zinc/17/16/56/573171656.db2.gz MVRMVRKNUSQKKH-UHFFFAOYSA-N 0 0 168.261 2.813 10 0 AFAERN C/C=C\COC(=O)C1CCCCC1 308291993 573171702 /nfs/dbraw/zinc/17/17/02/573171702.db2.gz HQUFFNCRRCANFD-IHWYPQMZSA-N 0 0 182.263 2.686 10 0 AFAERN C/C=C/CSc1nncn1C(C)C 308292132 573171781 /nfs/dbraw/zinc/17/17/81/573171781.db2.gz HUPXUOPYCJORFL-SNAWJCMRSA-N 0 0 197.307 2.527 10 0 AFAERN Cc1cc(C)c(C)c(C[C@@H](C)O)c1 257958207 573171886 /nfs/dbraw/zinc/17/18/86/573171886.db2.gz GKYDTNJULXTFHT-SNVBAGLBSA-N 0 0 178.275 2.535 10 0 AFAERN C[C@H](O)Cc1ccc([C@H](C)F)cc1 257958189 573171930 /nfs/dbraw/zinc/17/19/30/573171930.db2.gz BOMNFCIJHFUAQM-IUCAKERBSA-N 0 0 182.238 2.640 10 0 AFAERN CC[C@@H](C)Nc1ccc([C@@H](C)O)cc1 238298630 573171976 /nfs/dbraw/zinc/17/19/76/573171976.db2.gz WIUANAWEWBPAGH-NXEZZACHSA-N 0 0 193.290 2.950 10 0 AFAERN CC[C@]1(C)CC(=O)CC=C1C 238303217 573171986 /nfs/dbraw/zinc/17/19/86/573171986.db2.gz RWOXPGNCOASWPH-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CC[C@H](C)CC(=O)OC[C@@H]1C[C@@H]1C 308291418 573172035 /nfs/dbraw/zinc/17/20/35/573172035.db2.gz HIWNHEDQBLFRPF-GUBZILKMSA-N 0 0 184.279 2.622 10 0 AFAERN CC1=C(C)Oc2ccccc2O1 104678500 573172041 /nfs/dbraw/zinc/17/20/41/573172041.db2.gz AANOIIROKSDTKN-UHFFFAOYSA-N 0 0 162.188 2.709 10 0 AFAERN C/C=C\CSc1nncn1C(C)C 308292129 573172095 /nfs/dbraw/zinc/17/20/95/573172095.db2.gz HUPXUOPYCJORFL-PLNGDYQASA-N 0 0 197.307 2.527 10 0 AFAERN CC[C@H](C)COC(=O)C[C@@H]1C[C@H]1C 308291374 573172160 /nfs/dbraw/zinc/17/21/60/573172160.db2.gz HFSHJGXGXNYIGW-AEJSXWLSSA-N 0 0 184.279 2.622 10 0 AFAERN CCc1c(N)ccc2ccc(O)cc12 258237681 573172207 /nfs/dbraw/zinc/17/22/07/573172207.db2.gz POMQSUIXEYHAHG-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN [NH3+][C@@H](CC1CC1)c1ccccc1[S-] 104677472 573172568 /nfs/dbraw/zinc/17/25/68/573172568.db2.gz CZTQGIBKVCWZKE-JTQLQIEISA-N 0 0 193.315 2.775 10 0 AFAERN CCCN(CCC)c1cccc(F)n1 40711828 573172667 /nfs/dbraw/zinc/17/26/67/573172667.db2.gz RBRUKTQCTMYNKB-UHFFFAOYSA-N 0 0 196.269 2.847 10 0 AFAERN CCC(=O)OCCCC1CCCC1 308290737 573172673 /nfs/dbraw/zinc/17/26/73/573172673.db2.gz GWKKQDGYJBJOMU-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN CC[C@@H]1CCCCCC[C@@H]1O 115256640 573172759 /nfs/dbraw/zinc/17/27/59/573172759.db2.gz CSLRKQMZQQVEJJ-ZJUUUORDSA-N 0 0 156.269 2.728 10 0 AFAERN [NH3+][C@H](CC1CC1)c1ccc([S-])cc1 104678194 573172782 /nfs/dbraw/zinc/17/27/82/573172782.db2.gz JREMCVFXEIJMKH-LLVKDONJSA-N 0 0 193.315 2.775 10 0 AFAERN CCC[C@H]([NH3+])c1cccc([S-])c1 104676097 573172813 /nfs/dbraw/zinc/17/28/13/573172813.db2.gz VLULBFWDZPBEIL-JTQLQIEISA-N 0 0 181.304 2.775 10 0 AFAERN S=C1SCC=C1Br 104676661 573172947 /nfs/dbraw/zinc/17/29/47/573172947.db2.gz STOZEVMNVFCUHZ-UHFFFAOYSA-N 0 0 195.106 2.799 10 0 AFAERN Cc1cc(C)c(C)c(C[C@H](C)O)c1 257958205 573172961 /nfs/dbraw/zinc/17/29/61/573172961.db2.gz GKYDTNJULXTFHT-JTQLQIEISA-N 0 0 178.275 2.535 10 0 AFAERN Cc1ccc(C2(C)COC2)c(C)c1 258568516 573172998 /nfs/dbraw/zinc/17/29/98/573172998.db2.gz NAJUZLMCMZCZKD-UHFFFAOYSA-N 0 0 176.259 2.591 10 0 AFAERN CSc1ccc(C)c(O)c1C(C)=O 257958146 573173029 /nfs/dbraw/zinc/17/30/29/573173029.db2.gz BMVLKVCTXVUNJW-UHFFFAOYSA-N 0 0 196.271 2.625 10 0 AFAERN CC[C@H](C)COC(=O)C[C@H]1C[C@H]1C 308291377 573173040 /nfs/dbraw/zinc/17/30/40/573173040.db2.gz HFSHJGXGXNYIGW-IVZWLZJFSA-N 0 0 184.279 2.622 10 0 AFAERN Clc1c[nH]c(C2CCCC2)n1 258568399 573173121 /nfs/dbraw/zinc/17/31/21/573173121.db2.gz PQXBWAOUUYJORB-UHFFFAOYSA-N 0 0 170.643 2.721 10 0 AFAERN CC(=O)CNc1c(C)cc(C)cc1C 258565321 573173134 /nfs/dbraw/zinc/17/31/34/573173134.db2.gz CGOXTABGTJQKCC-UHFFFAOYSA-N 0 0 191.274 2.613 10 0 AFAERN [NH3+][C@@H](CC1CC1)c1ccc([S-])cc1 104675644 573173166 /nfs/dbraw/zinc/17/31/66/573173166.db2.gz JREMCVFXEIJMKH-NSHDSACASA-N 0 0 193.315 2.775 10 0 AFAERN Cc1cc(O)c(C)c(C)c1C(C)(C)O 259355701 573173178 /nfs/dbraw/zinc/17/31/78/573173178.db2.gz GOCOQEXMDHTATR-UHFFFAOYSA-N 0 0 194.274 2.545 10 0 AFAERN CC(C)[C@H](O)c1ccn(C(F)F)c1 85843509 573173280 /nfs/dbraw/zinc/17/32/80/573173280.db2.gz FPJZJMPNZIYHMX-QMMMGPOBSA-N 0 0 189.205 2.573 10 0 AFAERN CCC[C@H](O)c1ccn(CC(C)C)c1 85841487 573173339 /nfs/dbraw/zinc/17/33/39/573173339.db2.gz JJHYKCNOAFQXIG-LBPRGKRZSA-N 0 0 195.306 2.978 10 0 AFAERN CC[C@]1(C)CCC[C@H](CO)C1 238303928 573173375 /nfs/dbraw/zinc/17/33/75/573173375.db2.gz LLIXKZTVFWBWRV-VHSXEESVSA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@H](O)C(C(C)C)C(C)C 238304269 573173382 /nfs/dbraw/zinc/17/33/82/573173382.db2.gz LHDXMNHTVRMRAY-VIFPVBQESA-N 0 0 158.285 2.686 10 0 AFAERN [S-]c1ccccc1[C@@H]1CCCC[NH2+]1 104677474 573173416 /nfs/dbraw/zinc/17/34/16/573173416.db2.gz NVOLHIVPSZNWIL-JTQLQIEISA-N 0 0 193.315 2.790 10 0 AFAERN Cc1ccc2c(c1)NC[C@@H]1C[C@H]21 258567784 573173421 /nfs/dbraw/zinc/17/34/21/573173421.db2.gz RHPCNHPEOCWMSY-WPRPVWTQSA-N 0 0 159.232 2.524 10 0 AFAERN Cc1ccc2c(c1)NC[C@H]1C[C@@H]21 258567731 573173429 /nfs/dbraw/zinc/17/34/29/573173429.db2.gz RHPCNHPEOCWMSY-PSASIEDQSA-N 0 0 159.232 2.524 10 0 AFAERN CC[C@]1(C)CC[C@H](O)[C@@H](C)C1 238304307 573173440 /nfs/dbraw/zinc/17/34/40/573173440.db2.gz OMMBXNCFARHNNH-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)C(=O)C(CC)(CC)OC 159359072 573173472 /nfs/dbraw/zinc/17/34/72/573173472.db2.gz XWJOSTQCMMLISE-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN C1=Cc2ccc3occc3c2OC1 104676831 573173521 /nfs/dbraw/zinc/17/35/21/573173521.db2.gz KPQKVKKURCPUCO-UHFFFAOYSA-N 0 0 172.183 2.838 10 0 AFAERN [NH3+]C1(c2ccc([S-])cc2)CCCC1 104675650 573173713 /nfs/dbraw/zinc/17/37/13/573173713.db2.gz KBIJQVKSUPNFKQ-UHFFFAOYSA-N 0 0 193.315 2.703 10 0 AFAERN CNOC/C=C/c1ccccc1Cl 258566761 573173746 /nfs/dbraw/zinc/17/37/46/573173746.db2.gz KRASWROAOQGIDI-GQCTYLIASA-N 0 0 197.665 2.504 10 0 AFAERN C[C@H]1CCN1c1ccc(N)c(Cl)c1 123765201 573173756 /nfs/dbraw/zinc/17/37/56/573173756.db2.gz RMUDZVXMEVGACB-ZETCQYMHSA-N 0 0 196.681 2.521 10 0 AFAERN CC[C@@H](C)N(CC)c1cccc(F)n1 40712027 573173884 /nfs/dbraw/zinc/17/38/84/573173884.db2.gz KGTYTOGLFICALJ-SECBINFHSA-N 0 0 196.269 2.846 10 0 AFAERN [S-]c1ccccc1[C@H]1CCCC[NH2+]1 104676455 573173902 /nfs/dbraw/zinc/17/39/02/573173902.db2.gz NVOLHIVPSZNWIL-SNVBAGLBSA-N 0 0 193.315 2.790 10 0 AFAERN CCC(C)(C)OC(=O)[C@@H]1CC1(C)C 308291040 573173918 /nfs/dbraw/zinc/17/39/18/573173918.db2.gz HDCVMRSYTGDUNP-QMMMGPOBSA-N 0 0 184.279 2.764 10 0 AFAERN COc1c(N)ccc2cc(F)ccc12 259602886 573174081 /nfs/dbraw/zinc/17/40/81/573174081.db2.gz DDZGAGPFHYCBLE-UHFFFAOYSA-N 0 0 191.205 2.570 10 0 AFAERN CC[C@H]1CCCNC(=O)[C@@H](C)CCC1 238304257 573174178 /nfs/dbraw/zinc/17/41/78/573174178.db2.gz YSRFVDJUQCGWRX-WDEREUQCSA-N 0 0 197.322 2.729 10 0 AFAERN CCC[C@H](C)[C@@H](O)CCCSC 233339415 573174212 /nfs/dbraw/zinc/17/42/12/573174212.db2.gz NLUDJUWDNXWBRT-UWVGGRQHSA-N 0 0 190.352 2.927 10 0 AFAERN CC(C)CCOc1cccc(F)n1 40711314 573174244 /nfs/dbraw/zinc/17/42/44/573174244.db2.gz JCCTZDBLYWECMC-UHFFFAOYSA-N 0 0 183.226 2.646 10 0 AFAERN CCCCCOc1cccc(F)n1 40711373 573174252 /nfs/dbraw/zinc/17/42/52/573174252.db2.gz SUCQNIQQZZQPQC-UHFFFAOYSA-N 0 0 183.226 2.790 10 0 AFAERN CC[C@H](O)C(F)=C(SC)SC 238304594 573174300 /nfs/dbraw/zinc/17/43/00/573174300.db2.gz FAJRQSNEAYFZKI-YFKPBYRVSA-N 0 0 196.312 2.622 10 0 AFAERN [S-]c1ccc([C@@H]2CCCC[NH2+]2)cc1 104675647 573174312 /nfs/dbraw/zinc/17/43/12/573174312.db2.gz ZFCQFHMHGQVYBE-NSHDSACASA-N 0 0 193.315 2.790 10 0 AFAERN CCC[C@@H]([NH3+])c1cccc([S-])c1 104676100 573174353 /nfs/dbraw/zinc/17/43/53/573174353.db2.gz VLULBFWDZPBEIL-SNVBAGLBSA-N 0 0 181.304 2.775 10 0 AFAERN CN(C)/C(=C/Cl)c1ccccc1 238304208 573174901 /nfs/dbraw/zinc/17/49/01/573174901.db2.gz ZUMFYQRJNGPOKX-CSKARUKUSA-N 0 0 181.666 2.785 10 0 AFAERN CCCC1(C(C)=O)CCCC1 258482786 573174485 /nfs/dbraw/zinc/17/44/85/573174485.db2.gz AGJDUOBXHAIWRS-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CCCCCN(C)c1cccc(F)n1 40712031 573174508 /nfs/dbraw/zinc/17/45/08/573174508.db2.gz OMSICFAXPQGPHB-UHFFFAOYSA-N 0 0 196.269 2.847 10 0 AFAERN Cc1ccc(N)c(CC2CC2)c1 258482491 573174530 /nfs/dbraw/zinc/17/45/30/573174530.db2.gz JIFJWHWRRAUUFN-UHFFFAOYSA-N 0 0 161.248 2.530 10 0 AFAERN CC[C@]1(C)CC[C@@H](C)CC1=O 238304048 573174587 /nfs/dbraw/zinc/17/45/87/573174587.db2.gz WAGRUKKPAXUOIH-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN CCSc1cccc(N)c1F 238304980 573174632 /nfs/dbraw/zinc/17/46/32/573174632.db2.gz AIGDPEYPNDWOJS-UHFFFAOYSA-N 0 0 171.240 2.520 10 0 AFAERN C/C=C\CC[C@@H](C)C(C)=O 115280744 573174643 /nfs/dbraw/zinc/17/46/43/573174643.db2.gz VULCIEFSQSFBKJ-PULIVWKDSA-N 0 0 140.226 2.568 10 0 AFAERN CC(C)[C@@H](O)c1ccn(C(F)F)c1 85843515 573174663 /nfs/dbraw/zinc/17/46/63/573174663.db2.gz FPJZJMPNZIYHMX-MRVPVSSYSA-N 0 0 189.205 2.573 10 0 AFAERN c1cnc2cc3ccoc3cc2c1 104679083 573174677 /nfs/dbraw/zinc/17/46/77/573174677.db2.gz KYYICBUKGJYBNM-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN Cc1cc([C@H](N)C(F)(F)F)cs1 104678345 573175372 /nfs/dbraw/zinc/17/53/72/573175372.db2.gz QLWHXCVLEAEQES-LURJTMIESA-N 0 0 195.209 2.619 10 0 AFAERN CNC(=S)[C@H](C(C)C)C(C)(C)C 238304650 573174708 /nfs/dbraw/zinc/17/47/08/573174708.db2.gz LNAIKYNVRHUGCX-QMMMGPOBSA-N 0 0 187.352 2.852 10 0 AFAERN CCCCC[C@H](O)/C=C/C=C\OC 212501380 573174738 /nfs/dbraw/zinc/17/47/38/573174738.db2.gz GMQVSDXRFHMQCP-JBCSAAQWSA-N 0 0 184.279 2.644 10 0 AFAERN CNC(=S)[C@H]1C(C)=CCCC1(C)C 238304895 573174801 /nfs/dbraw/zinc/17/48/01/573174801.db2.gz CNEBVLVPOHGXMR-SECBINFHSA-N 0 0 197.347 2.916 10 0 AFAERN Nc1sc2ncccc2c1Cl 115250558 573174843 /nfs/dbraw/zinc/17/48/43/573174843.db2.gz XYMDDOZQHBCROY-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN CNC(=S)[C@@H]1C(C)=CCCC1(C)C 238304251 573174890 /nfs/dbraw/zinc/17/48/90/573174890.db2.gz CNEBVLVPOHGXMR-VIFPVBQESA-N 0 0 197.347 2.916 10 0 AFAERN CNC(=S)[C@@H]1[C@@H](C)C=CCC1(C)C 238304418 573174964 /nfs/dbraw/zinc/17/49/64/573174964.db2.gz YBLGRACVBNHZHC-IUCAKERBSA-N 0 0 197.347 2.772 10 0 AFAERN C=C/C=C(\OCC)c1ccccc1N 206121255 573174978 /nfs/dbraw/zinc/17/49/78/573174978.db2.gz MOFQAPWAGDDBIW-GHXNOFRVSA-N 0 0 189.258 2.832 10 0 AFAERN CSc1ccc(N(C)CCF)cc1 308293969 573175025 /nfs/dbraw/zinc/17/50/25/573175025.db2.gz GXVYCSTYKNMJOI-UHFFFAOYSA-N 0 0 199.294 2.814 10 0 AFAERN CC(=O)c1coc2cccc(C)c12 257959515 573177270 /nfs/dbraw/zinc/17/72/70/573177270.db2.gz SMWRAFZNFJHTME-UHFFFAOYSA-N 0 0 174.199 2.944 10 0 AFAERN CCC(CC)N(C)c1cccc(F)n1 40712162 573175208 /nfs/dbraw/zinc/17/52/08/573175208.db2.gz WZOZLKLWUIKWIB-UHFFFAOYSA-N 0 0 196.269 2.846 10 0 AFAERN CC[C@@H](C)C(=O)C(CC)(CC)OC 159358948 573175239 /nfs/dbraw/zinc/17/52/39/573175239.db2.gz XWJOSTQCMMLISE-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN CC[C@H]1CCCCCC[C@H]1O 115256644 573175303 /nfs/dbraw/zinc/17/53/03/573175303.db2.gz CSLRKQMZQQVEJJ-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1coc2c([C@@H](C)CO)cccc12 257960321 573175402 /nfs/dbraw/zinc/17/54/02/573175402.db2.gz BRIGUTXFEDQGFT-QMMMGPOBSA-N 0 0 190.242 2.837 10 0 AFAERN FCc1cccc2c1SCCN2 257959850 573175410 /nfs/dbraw/zinc/17/54/10/573175410.db2.gz GPXASDJJJOBDSP-UHFFFAOYSA-N 0 0 183.251 2.674 10 0 AFAERN CCc1cc(F)cc(C(C)(C)CO)c1 257960398 573175604 /nfs/dbraw/zinc/17/56/04/573175604.db2.gz BUYNVUNRFZSIAS-UHFFFAOYSA-N 0 0 196.265 2.658 10 0 AFAERN CC[C@]1(C)CC[C@H](C)CC1=O 238304219 573175636 /nfs/dbraw/zinc/17/56/36/573175636.db2.gz WAGRUKKPAXUOIH-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN C/C=C/Cn1ccc([C@H](O)CCC)c1 85841357 573175701 /nfs/dbraw/zinc/17/57/01/573175701.db2.gz MUBCKHPUOYXAAP-OGOUPESXSA-N 0 0 193.290 2.898 10 0 AFAERN CNC(=S)[C@@H](C(C)C)C(C)(C)C 238303914 573175731 /nfs/dbraw/zinc/17/57/31/573175731.db2.gz LNAIKYNVRHUGCX-MRVPVSSYSA-N 0 0 187.352 2.852 10 0 AFAERN CC[C@H]1Oc2cc(C)c(C)cc2C1=O 82759552 573175758 /nfs/dbraw/zinc/17/57/58/573175758.db2.gz JSQOJUPAGQOLRA-SNVBAGLBSA-N 0 0 190.242 2.657 10 0 AFAERN CCSc1cccc(F)c1O 238304488 573175761 /nfs/dbraw/zinc/17/57/61/573175761.db2.gz BFFMTXPXCRQQGB-UHFFFAOYSA-N 0 0 172.224 2.643 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1CO[C@@H](C)C1 308510604 573175772 /nfs/dbraw/zinc/17/57/72/573175772.db2.gz BUOPAXMDLSODIU-DCAQKATOSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)C(=O)c1ccn(C(F)F)c1 85842737 573175835 /nfs/dbraw/zinc/17/58/35/573175835.db2.gz ZIGVSAZRQXOVJE-UHFFFAOYSA-N 0 0 187.189 2.722 10 0 AFAERN CCSc1cccc(CC)c1N 238304039 573177291 /nfs/dbraw/zinc/17/72/91/573177291.db2.gz NXIYINOHYUBJHG-UHFFFAOYSA-N 0 0 181.304 2.943 10 0 AFAERN CC[C@H]1Oc2c(Cl)cccc2C1=O 82759542 573175946 /nfs/dbraw/zinc/17/59/46/573175946.db2.gz OUTPGTLWQAGLTO-MRVPVSSYSA-N 0 0 196.633 2.694 10 0 AFAERN CCCN(c1cccc(F)n1)C(C)C 40712014 573175999 /nfs/dbraw/zinc/17/59/99/573175999.db2.gz DPASNBSPFSYLRN-UHFFFAOYSA-N 0 0 196.269 2.846 10 0 AFAERN CC[C@@H]1CCCCCC[C@H]1O 115256642 573176062 /nfs/dbraw/zinc/17/60/62/573176062.db2.gz CSLRKQMZQQVEJJ-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)PC(C)(C)C 104681049 573176074 /nfs/dbraw/zinc/17/60/74/573176074.db2.gz LXEPFXNKXVLJCN-UHFFFAOYSA-N 0 0 132.187 2.872 10 0 AFAERN CCSc1cccc(N)c1CC 238304918 573176385 /nfs/dbraw/zinc/17/63/85/573176385.db2.gz RKGYUDLUKOYITO-UHFFFAOYSA-N 0 0 181.304 2.943 10 0 AFAERN CC[C@]1(C)CC[C@@H](O)[C@@H](C)C1 238304125 573177315 /nfs/dbraw/zinc/17/73/15/573177315.db2.gz OMMBXNCFARHNNH-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)N(CC)c1cccc(F)n1 40712029 573176432 /nfs/dbraw/zinc/17/64/32/573176432.db2.gz KGTYTOGLFICALJ-VIFPVBQESA-N 0 0 196.269 2.846 10 0 AFAERN CC[C@H]1CCCNC(=O)[C@H](C)CCC1 238304266 573176460 /nfs/dbraw/zinc/17/64/60/573176460.db2.gz YSRFVDJUQCGWRX-GHMZBOCLSA-N 0 0 197.322 2.729 10 0 AFAERN Cc1ccc(C=O)c(-c2ccc[nH]2)c1 235873271 573176462 /nfs/dbraw/zinc/17/64/62/573176462.db2.gz AWIFHEMYCJYIJH-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN CCc1cccc2c1O[C@H](CC)C2=O 82759579 573176464 /nfs/dbraw/zinc/17/64/64/573176464.db2.gz WXJKUVLARXGKJH-SNVBAGLBSA-N 0 0 190.242 2.603 10 0 AFAERN CC[C@]1(C)CCCCCC1=O 238303791 573176466 /nfs/dbraw/zinc/17/64/66/573176466.db2.gz TXLBSTDKQFEMFL-SNVBAGLBSA-N 0 0 154.253 2.936 10 0 AFAERN C/C=C\COC(=O)C[C@H](C)C(C)C 308292443 573176471 /nfs/dbraw/zinc/17/64/71/573176471.db2.gz IATXVYXKQHGLMF-OMMCCPJFSA-N 0 0 184.279 2.788 10 0 AFAERN CC[C@]1(C)CC[C@H](C)[C@@H](O)C1 238304242 573176548 /nfs/dbraw/zinc/17/65/48/573176548.db2.gz FLNOUIOXCGYSJZ-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN c1cnc2cc3occc3cc2c1 104681843 573176639 /nfs/dbraw/zinc/17/66/39/573176639.db2.gz BAEZDQMKKPMRCN-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN CCSc1cccc([C@@H](C)O)c1 82761864 573176685 /nfs/dbraw/zinc/17/66/85/573176685.db2.gz OLTYLZNOEBPXLD-MRVPVSSYSA-N 0 0 182.288 2.852 10 0 AFAERN CCSc1cccc(F)c1OC 238304502 573176726 /nfs/dbraw/zinc/17/67/26/573176726.db2.gz BFLMJOGYMWDVTN-UHFFFAOYSA-N 0 0 186.251 2.946 10 0 AFAERN CCSc1cccc([C@H](C)O)c1 82761865 573176877 /nfs/dbraw/zinc/17/68/77/573176877.db2.gz OLTYLZNOEBPXLD-QMMMGPOBSA-N 0 0 182.288 2.852 10 0 AFAERN C[C@@]1(c2ccco2)CCCC(=O)C1 197169743 573177329 /nfs/dbraw/zinc/17/73/29/573177329.db2.gz SAHGEVSQKDJNGO-LLVKDONJSA-N 0 0 178.231 2.680 10 0 AFAERN CNC(=S)[C@@H]1[C@H](C)C=CCC1(C)C 238304478 573176765 /nfs/dbraw/zinc/17/67/65/573176765.db2.gz YBLGRACVBNHZHC-BDAKNGLRSA-N 0 0 197.347 2.772 10 0 AFAERN CCC(=O)[C@H](C)Cc1cccnc1C 308509968 573177009 /nfs/dbraw/zinc/17/70/09/573177009.db2.gz RPNBRSDGATXBGW-SECBINFHSA-N 0 0 191.274 2.548 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@@H]1CO[C@H](C)C1 308510602 573177030 /nfs/dbraw/zinc/17/70/30/573177030.db2.gz BUOPAXMDLSODIU-AXFHLTTASA-N 0 0 198.306 2.663 10 0 AFAERN C=Cc1ccc(OC)c(C)c1 82762095 573177072 /nfs/dbraw/zinc/17/70/72/573177072.db2.gz GVGQXTJQMNTHJX-UHFFFAOYSA-N 0 0 148.205 2.647 10 0 AFAERN Clc1cnoc1-c1ccccc1 104680404 573177099 /nfs/dbraw/zinc/17/70/99/573177099.db2.gz BVZOEMHSOPJPRM-UHFFFAOYSA-N 0 0 179.606 2.995 10 0 AFAERN Cc1cccc2scc(CCO)c12 257959551 573177132 /nfs/dbraw/zinc/17/71/32/573177132.db2.gz SNZMUAMQHPKYJA-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN CC[NH2+][C@@H](C)c1cccc([S-])c1 82761704 573177165 /nfs/dbraw/zinc/17/71/65/573177165.db2.gz QHNOFFUBUHXYOR-QMMMGPOBSA-N 0 0 181.304 2.646 10 0 AFAERN CC[C@]1(C)CCC[C@@H](CO)C1 238303884 573177168 /nfs/dbraw/zinc/17/71/68/573177168.db2.gz LLIXKZTVFWBWRV-NXEZZACHSA-N 0 0 156.269 2.585 10 0 AFAERN CCc1nccn1COC(CC)CC 308509102 573177195 /nfs/dbraw/zinc/17/71/95/573177195.db2.gz RBRRVFJQQPSTOW-UHFFFAOYSA-N 0 0 196.294 2.608 10 0 AFAERN c1ccc2c(NC3CC3)nccc2c1 123771280 573177412 /nfs/dbraw/zinc/17/74/12/573177412.db2.gz BSOVXBSNXOORJD-UHFFFAOYSA-N 0 0 184.242 2.809 10 0 AFAERN CCC(=O)[C@@H](C)Cc1cccnc1C 308509970 573177417 /nfs/dbraw/zinc/17/74/17/573177417.db2.gz RPNBRSDGATXBGW-VIFPVBQESA-N 0 0 191.274 2.548 10 0 AFAERN CC(C)c1ccc(CC2(O)CC2)cc1 257960402 573177459 /nfs/dbraw/zinc/17/74/59/573177459.db2.gz BUZILPDLLPVOLC-UHFFFAOYSA-N 0 0 190.286 2.877 10 0 AFAERN CC1CC(O)(C[C@@]2(C)CC2(F)F)C1 642859751 573177590 /nfs/dbraw/zinc/17/75/90/573177590.db2.gz FAIICDXQPGWJAF-MGURRDGZSA-N 0 0 190.233 2.583 10 0 AFAERN C[C@@H]1CCN1c1ccc(N)c(Cl)c1 123764986 573177634 /nfs/dbraw/zinc/17/76/34/573177634.db2.gz RMUDZVXMEVGACB-SSDOTTSWSA-N 0 0 196.681 2.521 10 0 AFAERN C/C=C\CSc1nc(C)cc(C)n1 308293076 573177642 /nfs/dbraw/zinc/17/76/42/573177642.db2.gz IJYSUKBWVWWLNS-PLNGDYQASA-N 0 0 194.303 2.762 10 0 AFAERN CCc1ccccc1CC[C@@H](O)CC 308509107 573178344 /nfs/dbraw/zinc/17/83/44/573178344.db2.gz RBURKSQLONESJH-ZDUSSCGKSA-N 0 0 192.302 2.953 10 0 AFAERN CCONC[C@@H](C)C1CCCCC1 308293667 573177772 /nfs/dbraw/zinc/17/77/72/573177772.db2.gz PFZAQPFEBARYJG-SNVBAGLBSA-N 0 0 185.311 2.744 10 0 AFAERN C/C=C\CN(C)c1cccc(F)c1 308293770 573177790 /nfs/dbraw/zinc/17/77/90/573177790.db2.gz IYRCCTNVRJHTGU-ARJAWSKDSA-N 0 0 179.238 2.838 10 0 AFAERN Cc1cc(C=O)ccc1OC(C)(C)C 85873847 573177833 /nfs/dbraw/zinc/17/78/33/573177833.db2.gz FTYCTYWKQCIYOC-UHFFFAOYSA-N 0 0 192.258 2.985 10 0 AFAERN O=C1C[C@@H]2CCCCCCC[C@H]12 222848158 573177877 /nfs/dbraw/zinc/17/78/77/573177877.db2.gz DGOBQJUFNAFTIG-UWVGGRQHSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1C[C@H]2CCCCCCC[C@H]12 222848100 573177961 /nfs/dbraw/zinc/17/79/61/573177961.db2.gz DGOBQJUFNAFTIG-ZJUUUORDSA-N 0 0 166.264 2.936 10 0 AFAERN CCONC[C@H](C)C1CCCCC1 308293666 573177970 /nfs/dbraw/zinc/17/79/70/573177970.db2.gz PFZAQPFEBARYJG-JTQLQIEISA-N 0 0 185.311 2.744 10 0 AFAERN C[C@@H]1C(=O)C(C)(C)[C@H](C)C1(C)C 197162307 573178000 /nfs/dbraw/zinc/17/80/00/573178000.db2.gz FEWOVWFPXUBHCI-HTQZYQBOSA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C)CC(=O)C[C@H]1c1ccco1 197169851 573178080 /nfs/dbraw/zinc/17/80/80/573178080.db2.gz HQVVPIQUTQBZLP-VIFPVBQESA-N 0 0 178.231 2.752 10 0 AFAERN CCCc1ccc2c(c1)CCC2=O 104681326 573178086 /nfs/dbraw/zinc/17/80/86/573178086.db2.gz PELNSXKLPGFMFN-UHFFFAOYSA-N 0 0 174.243 2.768 10 0 AFAERN O=C1CCc2cccc(C(F)F)c21 104682000 573178093 /nfs/dbraw/zinc/17/80/93/573178093.db2.gz KYDWRNRDPXTWRK-UHFFFAOYSA-N 0 0 182.169 2.753 10 0 AFAERN C[C@@H]1C(=O)C(C)(C)[C@@H](C)C1(C)C 197162332 573178095 /nfs/dbraw/zinc/17/80/95/573178095.db2.gz FEWOVWFPXUBHCI-SFYZADRCSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@](C)(O)C[C@@]1(C)CC1(F)F 642859761 573178155 /nfs/dbraw/zinc/17/81/55/573178155.db2.gz FFIIUZWEUSMQJN-JGVFFNPUSA-N 0 0 178.222 2.583 10 0 AFAERN CC(=O)c1c(F)cc(F)c2ccoc12 257960322 573178227 /nfs/dbraw/zinc/17/82/27/573178227.db2.gz BRIRUSQYLMMRQB-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN C=Cc1cc(Cl)c2c(c1)OCCO2 82762121 573178231 /nfs/dbraw/zinc/17/82/31/573178231.db2.gz AJMCABJUDTVIBC-UHFFFAOYSA-N 0 0 196.633 2.754 10 0 AFAERN O=C1C[C@H]2CCCCCCC[C@@H]12 222847969 573178271 /nfs/dbraw/zinc/17/82/71/573178271.db2.gz DGOBQJUFNAFTIG-NXEZZACHSA-N 0 0 166.264 2.936 10 0 AFAERN CC1=C(C)C(C)(C)C(O)C1(C)C 197162291 573178298 /nfs/dbraw/zinc/17/82/98/573178298.db2.gz ICSUAZAKDSFPFF-UHFFFAOYSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@H]1CO[C@@H](C)C1 308510607 573178425 /nfs/dbraw/zinc/17/84/25/573178425.db2.gz BUOPAXMDLSODIU-GARJFASQSA-N 0 0 198.306 2.663 10 0 AFAERN C[C@H](F)Cc1ccccc1C1(O)CC1 257960373 573178452 /nfs/dbraw/zinc/17/84/52/573178452.db2.gz BTNUIAROYLKAKN-VIFPVBQESA-N 0 0 194.249 2.569 10 0 AFAERN CC[C@H](O)C1=C([Si](C)(C)C)C1(C)C 238305312 573178455 /nfs/dbraw/zinc/17/84/55/573178455.db2.gz UXNWGQDBZQKDMI-QMMMGPOBSA-N 0 0 198.382 2.971 10 0 AFAERN CCC1=C([C@@H](O)CC)CCC1 238305253 573178530 /nfs/dbraw/zinc/17/85/30/573178530.db2.gz SGQBSOCSXVJJHD-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN C/C=C/COC(=O)C[C@H](C)C(C)C 308292445 573178532 /nfs/dbraw/zinc/17/85/32/573178532.db2.gz IATXVYXKQHGLMF-PORFMDCZSA-N 0 0 184.279 2.788 10 0 AFAERN CC[C@H]1Oc2c(ccc(C)c2C)C1=O 82759553 573178587 /nfs/dbraw/zinc/17/85/87/573178587.db2.gz JZCQKYFPIIAZNB-SNVBAGLBSA-N 0 0 190.242 2.657 10 0 AFAERN C[C@H](O)c1ccc(F)c(Cl)c1F 258067547 573178602 /nfs/dbraw/zinc/17/86/02/573178602.db2.gz MBEJMEMNJUHHKK-BYPYZUCNSA-N 0 0 192.592 2.672 10 0 AFAERN C=Cc1ccc(-n2ccnc2)cc1 82762055 573178620 /nfs/dbraw/zinc/17/86/20/573178620.db2.gz LFQDCPWINPWYMZ-UHFFFAOYSA-N 0 0 170.215 2.515 10 0 AFAERN CCc1cc(C)c2c(c1)C(=O)CCN2 238305257 573178640 /nfs/dbraw/zinc/17/86/40/573178640.db2.gz IFECCXVFOUMFRU-UHFFFAOYSA-N 0 0 189.258 2.556 10 0 AFAERN CCSc1cccc(OC)c1F 238305435 573178650 /nfs/dbraw/zinc/17/86/50/573178650.db2.gz CEHBJJLHPLXWAV-UHFFFAOYSA-N 0 0 186.251 2.946 10 0 AFAERN O=C1C[C@@H]2CCCCCCC[C@@H]12 222848028 573178725 /nfs/dbraw/zinc/17/87/25/573178725.db2.gz DGOBQJUFNAFTIG-VHSXEESVSA-N 0 0 166.264 2.936 10 0 AFAERN CNC(=S)[C@H]1[C@@H](C)C=CCC1(C)C 238305058 573179875 /nfs/dbraw/zinc/17/98/75/573179875.db2.gz YBLGRACVBNHZHC-DTWKUNHWSA-N 0 0 197.347 2.772 10 0 AFAERN CCc1ccc(F)c2c1C(=O)CC2 104681982 573178876 /nfs/dbraw/zinc/17/88/76/573178876.db2.gz IQOALKDPWMZLIS-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN CC[C@H](O)C1=C(Cl)CCCC1 238305265 573178892 /nfs/dbraw/zinc/17/88/92/573178892.db2.gz LGAJBJQHIXMUCX-VIFPVBQESA-N 0 0 174.671 2.824 10 0 AFAERN CCCc1cccc2c1C(=O)CC2 104681337 573178898 /nfs/dbraw/zinc/17/88/98/573178898.db2.gz KHVXQPDYOCDQHB-UHFFFAOYSA-N 0 0 174.243 2.768 10 0 AFAERN C[C@@H](F)Cc1ccccc1C1(O)CC1 257960372 573178919 /nfs/dbraw/zinc/17/89/19/573178919.db2.gz BTNUIAROYLKAKN-SECBINFHSA-N 0 0 194.249 2.569 10 0 AFAERN CC[NH2+][C@H](C)c1cccc([S-])c1 82761705 573179008 /nfs/dbraw/zinc/17/90/08/573179008.db2.gz QHNOFFUBUHXYOR-MRVPVSSYSA-N 0 0 181.304 2.646 10 0 AFAERN C/C(=C/C1CCCC1)[C@H](C)O 387532054 573179041 /nfs/dbraw/zinc/17/90/41/573179041.db2.gz CJUQNYZHPAJMIO-FUOZMLNRSA-N 0 0 154.253 2.504 10 0 AFAERN C=Cc1ccc(-n2cccn2)cc1 82762147 573179064 /nfs/dbraw/zinc/17/90/64/573179064.db2.gz ZBICNBUUFBUKQI-UHFFFAOYSA-N 0 0 170.215 2.515 10 0 AFAERN C=Cc1ccc(Cl)o1 82762058 573179092 /nfs/dbraw/zinc/17/90/92/573179092.db2.gz MMNSGSQEIZGYNA-UHFFFAOYSA-N 0 0 128.558 2.576 10 0 AFAERN CSc1cc(C)ccc1CC(C)=O 257960371 573179114 /nfs/dbraw/zinc/17/91/14/573179114.db2.gz BTLBQVKPFMOHGV-UHFFFAOYSA-N 0 0 194.299 2.848 10 0 AFAERN CCSc1cccc(O)c1F 238305205 573179249 /nfs/dbraw/zinc/17/92/49/573179249.db2.gz FOAYBYOWHXMPRX-UHFFFAOYSA-N 0 0 172.224 2.643 10 0 AFAERN C[C@@H]1C(C)(C)C(=O)[C@H](C)C1(C)C 197162341 573179284 /nfs/dbraw/zinc/17/92/84/573179284.db2.gz FEWOVWFPXUBHCI-YUMQZZPRSA-N 0 0 168.280 2.894 10 0 AFAERN C/C=C\COC(=O)C[C@@H](C)C(C)C 308292446 573179287 /nfs/dbraw/zinc/17/92/87/573179287.db2.gz IATXVYXKQHGLMF-WWQCOOJYSA-N 0 0 184.279 2.788 10 0 AFAERN CCc1cc(C)c2oncc2c1 238305540 573179288 /nfs/dbraw/zinc/17/92/88/573179288.db2.gz RVDHJDVNCAUTSA-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CC1(COC(=O)CC2(C)CC2)CC1 308292743 573179331 /nfs/dbraw/zinc/17/93/31/573179331.db2.gz IHTNEUPWWCDQJS-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC[C@H]1CCC[C@]1(C)C(C)=O 238305978 573179344 /nfs/dbraw/zinc/17/93/44/573179344.db2.gz JVULLYLMVRQAIG-VHSXEESVSA-N 0 0 154.253 2.792 10 0 AFAERN CC1(C)CC(=O)C[C@@H]1c1ccco1 197169836 573179381 /nfs/dbraw/zinc/17/93/81/573179381.db2.gz HQVVPIQUTQBZLP-SECBINFHSA-N 0 0 178.231 2.752 10 0 AFAERN C=Cc1ccccc1OCC 82762052 573179392 /nfs/dbraw/zinc/17/93/92/573179392.db2.gz FIPBXQBXPNTQAA-UHFFFAOYSA-N 0 0 148.205 2.728 10 0 AFAERN COc1nc(C2CCCC2)cs1 259360119 573179407 /nfs/dbraw/zinc/17/94/07/573179407.db2.gz SBAFOMSRKFIIDW-UHFFFAOYSA-N 0 0 183.276 2.809 10 0 AFAERN CCc1ccc(C)c2c1C(=O)CC2 104681322 573179410 /nfs/dbraw/zinc/17/94/10/573179410.db2.gz ICSWSMWKIVRQCV-UHFFFAOYSA-N 0 0 174.243 2.686 10 0 AFAERN CN1c2ccccc2CCC1(C)C 104681897 573179453 /nfs/dbraw/zinc/17/94/53/573179453.db2.gz SBKSKNZXWSOVSN-UHFFFAOYSA-N 0 0 175.275 2.848 10 0 AFAERN Nc1ccc(-c2ccc[nH]2)cc1Cl 123777315 573179459 /nfs/dbraw/zinc/17/94/59/573179459.db2.gz HGXYIEZLANKUEP-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN CC[C@]1(C)C[C@@]12CC(C)(C)C2=O 238305344 573179608 /nfs/dbraw/zinc/17/96/08/573179608.db2.gz YXZLEFKRIKWXCG-GHMZBOCLSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C(=O)C(C)(C)[C@H](C)C1(C)C 197162319 573179614 /nfs/dbraw/zinc/17/96/14/573179614.db2.gz FEWOVWFPXUBHCI-JGVFFNPUSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@](O)(CCCC(F)(F)F)C1CC1 123775017 573179630 /nfs/dbraw/zinc/17/96/30/573179630.db2.gz CZNQDEJWSXZNRZ-MRVPVSSYSA-N 0 0 196.212 2.880 10 0 AFAERN CCc1ccccc1CC[C@H](O)CC 308509104 573179637 /nfs/dbraw/zinc/17/96/37/573179637.db2.gz RBURKSQLONESJH-CYBMUJFWSA-N 0 0 192.302 2.953 10 0 AFAERN C=Cc1ccc(-c2cccnc2)o1 82762126 573179724 /nfs/dbraw/zinc/17/97/24/573179724.db2.gz HBDPHMWFSTVGHZ-UHFFFAOYSA-N 0 0 171.199 2.985 10 0 AFAERN Nc1nc(CCC2CCCCC2)co1 258568914 573179749 /nfs/dbraw/zinc/17/97/49/573179749.db2.gz KWZORRUFEDQCAR-UHFFFAOYSA-N 0 0 194.278 2.770 10 0 AFAERN CC[C@]1(C)C[C@]12C[C@@H](O)C2(C)C 238305776 573179806 /nfs/dbraw/zinc/17/98/06/573179806.db2.gz HMJQLGFEGHVEMT-IEBDPFPHSA-N 0 0 168.280 2.584 10 0 AFAERN CCO[C@@H](C)/C(Cl)=C/Cl 238305255 573179815 /nfs/dbraw/zinc/17/98/15/573179815.db2.gz CVICCUNEXQYBOB-YIWIKUPCSA-N 0 0 169.051 2.730 10 0 AFAERN CCc1cc(C)c2cnoc2c1 238305453 573179883 /nfs/dbraw/zinc/17/98/83/573179883.db2.gz KCJYBIWIVDBFBH-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCc1cccc2c1CC[C@@H](C)N2 238306000 573179948 /nfs/dbraw/zinc/17/99/48/573179948.db2.gz RXPONTVNCRYCPB-SECBINFHSA-N 0 0 175.275 2.996 10 0 AFAERN C[C@@H](O)c1ccc(F)c(Cl)c1F 258067549 573180082 /nfs/dbraw/zinc/18/00/82/573180082.db2.gz MBEJMEMNJUHHKK-SCSAIBSYSA-N 0 0 192.592 2.672 10 0 AFAERN CCc1cc(C)c2cccc(N)c2n1 238305410 573180158 /nfs/dbraw/zinc/18/01/58/573180158.db2.gz SVFHPSXNAXFOQB-UHFFFAOYSA-N 0 0 186.258 2.688 10 0 AFAERN Clc1ccc2c(c1)OC=CO2 104679142 573180165 /nfs/dbraw/zinc/18/01/65/573180165.db2.gz OEGNKRWTWAAYET-UHFFFAOYSA-N 0 0 168.579 2.582 10 0 AFAERN CNC(=S)[C@H]1[C@H](C)C=CCC1(C)C 238305104 573180204 /nfs/dbraw/zinc/18/02/04/573180204.db2.gz YBLGRACVBNHZHC-RKDXNWHRSA-N 0 0 197.347 2.772 10 0 AFAERN c1c[nH]c(C2CCCCCC2)n1 115308392 573180803 /nfs/dbraw/zinc/18/08/03/573180803.db2.gz RFSSSPDXLQUWJG-UHFFFAOYSA-N 0 0 164.252 2.848 10 0 AFAERN CCc1cc(F)cc2c1C(=O)CC2 104681978 573180484 /nfs/dbraw/zinc/18/04/84/573180484.db2.gz BFKVCEHMXJZNQH-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN CCc1sc(=O)[nH]c1C1CCC1 257962281 573180502 /nfs/dbraw/zinc/18/05/02/573180502.db2.gz XPBNXHBHBPHEPZ-UHFFFAOYSA-N 0 0 183.276 2.679 10 0 AFAERN CC(C)[C@H](CO)SC1CCCC1 259356340 573180523 /nfs/dbraw/zinc/18/05/23/573180523.db2.gz ZESOXNPUKCFAGB-JTQLQIEISA-N 0 0 188.336 2.679 10 0 AFAERN CCSc1cccc(O)c1OC 238305273 573180532 /nfs/dbraw/zinc/18/05/32/573180532.db2.gz WWMSDNOBWKQDEZ-UHFFFAOYSA-N 0 0 184.260 2.513 10 0 AFAERN CC(=O)[C@@H](F)CC1CCCCC1 257960801 573180600 /nfs/dbraw/zinc/18/06/00/573180600.db2.gz XHTUCVYKIUPXLB-JTQLQIEISA-N 0 0 172.243 2.884 10 0 AFAERN C1=CC2=Nc3ccccc3C2=C1 104679122 573180655 /nfs/dbraw/zinc/18/06/55/573180655.db2.gz NJOSBMLKZKBELO-UHFFFAOYSA-N 0 0 153.184 2.726 10 0 AFAERN C[C@H]1CSc2cccc(C=O)c21 257960756 573180730 /nfs/dbraw/zinc/18/07/30/573180730.db2.gz FUNAWSHOSHJEKC-ZETCQYMHSA-N 0 0 178.256 2.708 10 0 AFAERN CCCOc1ccc([C@H](C)NO)cc1 132022172 573180777 /nfs/dbraw/zinc/18/07/77/573180777.db2.gz BSNMIAZUKNVHPN-VIFPVBQESA-N 0 0 195.262 2.515 10 0 AFAERN CC[C@]1(C)C[C@@]12C[C@@H](O)C2(C)C 238305357 573180865 /nfs/dbraw/zinc/18/08/65/573180865.db2.gz HMJQLGFEGHVEMT-FBIMIBRVSA-N 0 0 168.280 2.584 10 0 AFAERN CCc1cccc2c1C[C@@H](C)N2 238306013 573180872 /nfs/dbraw/zinc/18/08/72/573180872.db2.gz VYIILIGODJISLG-MRVPVSSYSA-N 0 0 161.248 2.606 10 0 AFAERN CNc1ccc(NC(C)(C)C)cc1 259356118 573180909 /nfs/dbraw/zinc/18/09/09/573180909.db2.gz UEDPQAYJWNSOGZ-UHFFFAOYSA-N 0 0 178.279 2.939 10 0 AFAERN CC(=O)CCCNc1ccc(F)cc1 258572083 573180935 /nfs/dbraw/zinc/18/09/35/573180935.db2.gz CZDUWBVOHVMJBV-UHFFFAOYSA-N 0 0 195.237 2.607 10 0 AFAERN C[C@@H](CO)CCC1CCCC1 82764650 573180951 /nfs/dbraw/zinc/18/09/51/573180951.db2.gz FLKINACTJXODGL-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN C[C@@H](CO)c1coc2cccc(F)c12 257961560 573181017 /nfs/dbraw/zinc/18/10/17/573181017.db2.gz SQZHOOPBKKXSDD-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN CC[C@]1(C)C[C@H](O)CC(C)(C)C1 238305633 573181041 /nfs/dbraw/zinc/18/10/41/573181041.db2.gz PIMJGTAMZOVBHJ-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CSc2cccc(C=O)c21 257960750 573181052 /nfs/dbraw/zinc/18/10/52/573181052.db2.gz FUNAWSHOSHJEKC-SSDOTTSWSA-N 0 0 178.256 2.708 10 0 AFAERN CC[C@@](C)(O)CCCC(F)(F)F 123773824 573181188 /nfs/dbraw/zinc/18/11/88/573181188.db2.gz HYTBPIFHXOULKL-SSDOTTSWSA-N 0 0 184.201 2.880 10 0 AFAERN F[C@H]1CCc2ccccc21 142156244 573181194 /nfs/dbraw/zinc/18/11/94/573181194.db2.gz GBABOEBIUROCDV-VIFPVBQESA-N 0 0 136.169 2.643 10 0 AFAERN Cc1cc2cccc(CON)c2s1 257960821 573181212 /nfs/dbraw/zinc/18/12/12/573181212.db2.gz FUTVAGNWLVBEQY-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN CCc1c(OC)ccc2cnsc12 238305517 573181286 /nfs/dbraw/zinc/18/12/86/573181286.db2.gz QMLORBOSSUGWOC-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN Cc1cc2cccc([C@H](C)CO)c2o1 257960424 573181334 /nfs/dbraw/zinc/18/13/34/573181334.db2.gz BVPFNONBVLCZBP-MRVPVSSYSA-N 0 0 190.242 2.837 10 0 AFAERN CCc1c(OC)cccc1SC 238305707 573181386 /nfs/dbraw/zinc/18/13/86/573181386.db2.gz HOANSLYINRTURX-UHFFFAOYSA-N 0 0 182.288 2.980 10 0 AFAERN Cc1cc(C)c(C2(CO)CC2)cc1C 259359845 573181493 /nfs/dbraw/zinc/18/14/93/573181493.db2.gz UKMJSIKAIOLXLQ-UHFFFAOYSA-N 0 0 190.286 2.636 10 0 AFAERN CCO[C@@H](C(=O)[C@H](C)CC)C(C)C 132018449 573181508 /nfs/dbraw/zinc/18/15/08/573181508.db2.gz DWYPBUMHPLRYLQ-MWLCHTKSSA-N 0 0 186.295 2.663 10 0 AFAERN CC[C@]1(C)C[C@]12CC(=O)C2(C)C 238305752 573181558 /nfs/dbraw/zinc/18/15/58/573181558.db2.gz BAAYVFCIZCUAID-MNOVXSKESA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@]1(C)C[C@@]12CC(=O)C2(C)C 238305329 573181583 /nfs/dbraw/zinc/18/15/83/573181583.db2.gz BAAYVFCIZCUAID-GHMZBOCLSA-N 0 0 166.264 2.792 10 0 AFAERN [NH3+][C@@H](CC1CC1)c1cccc([S-])c1 104684419 573182672 /nfs/dbraw/zinc/18/26/72/573182672.db2.gz AXKITXGNYYNNHZ-NSHDSACASA-N 0 0 193.315 2.775 10 0 AFAERN CC[C@H]1CCC[C@@H]2C(=O)CC[C@H]12 238305912 573181624 /nfs/dbraw/zinc/18/16/24/573181624.db2.gz IVDLMRQJIHQGNO-AEJSXWLSSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@]1(C)C[C@@H](O)CC(C)(C)C1 238305177 573181733 /nfs/dbraw/zinc/18/17/33/573181733.db2.gz PIMJGTAMZOVBHJ-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H]1CCC[C@H]2C(=O)CC[C@H]12 238305087 573181741 /nfs/dbraw/zinc/18/17/41/573181741.db2.gz IVDLMRQJIHQGNO-IVZWLZJFSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc([C@H]2C[C@@H]2CO)cc1Cl 235896040 573181751 /nfs/dbraw/zinc/18/17/51/573181751.db2.gz YWGKBJUICVICHX-NXEZZACHSA-N 0 0 196.677 2.744 10 0 AFAERN Cc1cc2cccc([C@@H](C)CO)c2o1 257960427 573181821 /nfs/dbraw/zinc/18/18/21/573181821.db2.gz BVPFNONBVLCZBP-QMMMGPOBSA-N 0 0 190.242 2.837 10 0 AFAERN CC[C@@]1(C)CC(C)=C[C@@H](O)C1 238305611 573181983 /nfs/dbraw/zinc/18/19/83/573181983.db2.gz FSJCOKNYOJVXNM-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CCSc1cccc(OC)c1O 238305491 573181987 /nfs/dbraw/zinc/18/19/87/573181987.db2.gz MVBSBQRDOCLIGA-UHFFFAOYSA-N 0 0 184.260 2.513 10 0 AFAERN ClC1=CCOc2ccccc21 104685035 573182009 /nfs/dbraw/zinc/18/20/09/573182009.db2.gz CEDOOTYQQXODEH-UHFFFAOYSA-N 0 0 166.607 2.659 10 0 AFAERN Cc1cc(F)c(C(C)C)cc1CON 257962567 573182040 /nfs/dbraw/zinc/18/20/40/573182040.db2.gz BXPPNAOJLUFIFM-UHFFFAOYSA-N 0 0 197.253 2.648 10 0 AFAERN CCO[C@@H](C(=O)[C@@H](C)CC)C(C)C 132018642 573182083 /nfs/dbraw/zinc/18/20/83/573182083.db2.gz DWYPBUMHPLRYLQ-GXSJLCMTSA-N 0 0 186.295 2.663 10 0 AFAERN C[C@H](CO)CCC1CCCC1 82764649 573182182 /nfs/dbraw/zinc/18/21/82/573182182.db2.gz FLKINACTJXODGL-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@@H]1CCCC=C1C(=S)NC 238305033 573182194 /nfs/dbraw/zinc/18/21/94/573182194.db2.gz YKWBQYSXGGLHJG-MRVPVSSYSA-N 0 0 183.320 2.670 10 0 AFAERN c1ccc2c(c1)Nc1cccnc1O2 104683671 573182216 /nfs/dbraw/zinc/18/22/16/573182216.db2.gz GVVXJWOWDIGABW-UHFFFAOYSA-N 0 0 184.198 2.931 10 0 AFAERN CSc1noc(CCC2CCC2)n1 308294421 573182640 /nfs/dbraw/zinc/18/26/40/573182640.db2.gz HEMJOHJHTKZLIS-UHFFFAOYSA-N 0 0 198.291 2.524 10 0 AFAERN CC[C@H]1CCC[C@@]1(C)C(C)=O 238305183 573182324 /nfs/dbraw/zinc/18/23/24/573182324.db2.gz JVULLYLMVRQAIG-UWVGGRQHSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H](CO)c1coc2cccc(F)c12 257961557 573182455 /nfs/dbraw/zinc/18/24/55/573182455.db2.gz SQZHOOPBKKXSDD-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN CC[C@H](O)C1=CCCc2ccccc21 238305414 573182494 /nfs/dbraw/zinc/18/24/94/573182494.db2.gz YTLGMPWEEBZANB-ZDUSSCGKSA-N 0 0 188.270 2.787 10 0 AFAERN CCc1cccc2c1C[C@H](C)N2 238305942 573182535 /nfs/dbraw/zinc/18/25/35/573182535.db2.gz VYIILIGODJISLG-QMMMGPOBSA-N 0 0 161.248 2.606 10 0 AFAERN c1ccc2c(c1)ncc1occc12 104684129 573182661 /nfs/dbraw/zinc/18/26/61/573182661.db2.gz JPFGSAMQRNUJDQ-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN CCc1cccc2c1CC[C@H](C)N2 238305928 573182622 /nfs/dbraw/zinc/18/26/22/573182622.db2.gz RXPONTVNCRYCPB-VIFPVBQESA-N 0 0 175.275 2.996 10 0 AFAERN CC(=O)[C@@H](F)c1cccc(Cl)c1 257961068 573182737 /nfs/dbraw/zinc/18/27/37/573182737.db2.gz XKFIXZRAWDGGIZ-SECBINFHSA-N 0 0 186.613 2.940 10 0 AFAERN CC1(COC(=O)c2cccs2)CC1 308294665 573182772 /nfs/dbraw/zinc/18/27/72/573182772.db2.gz JKBBZFUNWLGQKQ-UHFFFAOYSA-N 0 0 196.271 2.705 10 0 AFAERN CCCOc1cncc(Cl)c1 104684734 573185878 /nfs/dbraw/zinc/18/58/78/573185878.db2.gz KKHWIYNGQQCUAY-UHFFFAOYSA-N 0 0 171.627 2.524 10 0 AFAERN CCc1cc(C)nc2c(O)cccc12 142179381 573185592 /nfs/dbraw/zinc/18/55/92/573185592.db2.gz JNGWEOIDBKBACU-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN CS/C=C\c1nc(C2CCC2)no1 308294767 573184715 /nfs/dbraw/zinc/18/47/15/573184715.db2.gz HKBVIAOVBPQOAL-WAYWQWQTSA-N 0 0 196.275 2.671 10 0 AFAERN CNSc1ccc(OC(C)C)cc1 259356407 573184861 /nfs/dbraw/zinc/18/48/61/573184861.db2.gz ZFTGHHSXDIAQOH-UHFFFAOYSA-N 0 0 197.303 2.700 10 0 AFAERN CCc1c(C)oc2c1C(=O)CCC2 238299884 573184862 /nfs/dbraw/zinc/18/48/62/573184862.db2.gz YSRHBUOFOGQSAY-UHFFFAOYSA-N 0 0 178.231 2.669 10 0 AFAERN CC/C(=C/c1ccccc1C)CO 212023255 573184907 /nfs/dbraw/zinc/18/49/07/573184907.db2.gz DSOACBOSUJGDBY-FLIBITNWSA-N 0 0 176.259 2.781 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)CC1CC1 717236219 573186487 /nfs/dbraw/zinc/18/64/87/573186487.db2.gz NPWUBJYTQHCGMF-APHKKCJPSA-N 0 0 178.275 2.648 10 0 AFAERN CCc1c(Cl)[nH]c2c1C(=O)CCC2 238300082 573184919 /nfs/dbraw/zinc/18/49/19/573184919.db2.gz QSLHJCWZGXIAHP-UHFFFAOYSA-N 0 0 197.665 2.750 10 0 AFAERN OCc1csc2cccc(F)c12 257961542 573185256 /nfs/dbraw/zinc/18/52/56/573185256.db2.gz SQTSMVGMDIDLBD-UHFFFAOYSA-N 0 0 182.219 2.533 10 0 AFAERN CCc1ccc2occc2c1 104684176 573185320 /nfs/dbraw/zinc/18/53/20/573185320.db2.gz ZJBGVUBFQCFOSR-UHFFFAOYSA-N 0 0 146.189 2.995 10 0 AFAERN CCCn1ccnc1SC1CCC1 308294244 573185331 /nfs/dbraw/zinc/18/53/31/573185331.db2.gz RDNVKZGOHUGYFT-UHFFFAOYSA-N 0 0 196.319 2.938 10 0 AFAERN CNC(=O)O[C@H]1CCC[C@@H](C(C)C)C1 238300052 573185455 /nfs/dbraw/zinc/18/54/55/573185455.db2.gz CDJCMAMFUOZEIV-ZJUUUORDSA-N 0 0 199.294 2.557 10 0 AFAERN Nc1ccc(N=O)c2ccccc12 104684622 573185500 /nfs/dbraw/zinc/18/55/00/573185500.db2.gz JCEXBUYUHYXFME-UHFFFAOYSA-N 0 0 172.187 2.820 10 0 AFAERN [NH3+][C@H](CC1CC1)c1cccc([S-])c1 104684417 573185537 /nfs/dbraw/zinc/18/55/37/573185537.db2.gz AXKITXGNYYNNHZ-LLVKDONJSA-N 0 0 193.315 2.775 10 0 AFAERN C=Cc1cccc2c1C(=O)CCC2 104683130 573185650 /nfs/dbraw/zinc/18/56/50/573185650.db2.gz WSXRMHNTQNJFTM-UHFFFAOYSA-N 0 0 172.227 2.849 10 0 AFAERN CCc1c(C)ccc2c1C(=O)CC2 104682554 573185655 /nfs/dbraw/zinc/18/56/55/573185655.db2.gz VZYCLBUYWKFEMQ-UHFFFAOYSA-N 0 0 174.243 2.686 10 0 AFAERN CCc1c(F)ccc2sncc12 238299952 573185730 /nfs/dbraw/zinc/18/57/30/573185730.db2.gz BBPLYUUACJRPHS-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CC[C@@H]1C=CC=C[C@@H](CC)C1=O 238299948 573185775 /nfs/dbraw/zinc/18/57/75/573185775.db2.gz JQKLEDXTLHZQEM-NXEZZACHSA-N 0 0 164.248 2.734 10 0 AFAERN c1ccc2c(c1)ncc1ccoc12 104683636 573185853 /nfs/dbraw/zinc/18/58/53/573185853.db2.gz DWWHQLSXPSYJDA-UHFFFAOYSA-N 0 0 169.183 2.981 10 0 AFAERN CCc1c[nH]c2cc(=O)ccc-2c1 238300317 573185962 /nfs/dbraw/zinc/18/59/62/573185962.db2.gz YUNYQMVVQRERLZ-UHFFFAOYSA-N 0 0 173.215 2.503 10 0 AFAERN Cc1cc(C)c(SN)c(C)c1 259363945 573186121 /nfs/dbraw/zinc/18/61/21/573186121.db2.gz ZWRNEHGEQGWIHV-UHFFFAOYSA-N 0 0 167.277 2.578 10 0 AFAERN CCCOc1ccc([C@@H](C)NO)cc1 132021982 573186326 /nfs/dbraw/zinc/18/63/26/573186326.db2.gz BSNMIAZUKNVHPN-SECBINFHSA-N 0 0 195.262 2.515 10 0 AFAERN CC(C)(O)c1ccc2sncc2c1 257962716 573187803 /nfs/dbraw/zinc/18/78/03/573187803.db2.gz BZYPJUWVJOVYQR-UHFFFAOYSA-N 0 0 193.271 2.524 10 0 AFAERN c1cc2ccc3cc[nH]c3c2cn1 104683622 573187178 /nfs/dbraw/zinc/18/71/78/573187178.db2.gz ZHNVAKDAIYEILP-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN CCc1cccc2c1NC(=O)C[C@@H]2C 238306373 573187186 /nfs/dbraw/zinc/18/71/86/573187186.db2.gz RSWSQWVLYODFRJ-QMMMGPOBSA-N 0 0 189.258 2.695 10 0 AFAERN O=C(SCF)c1cc2occc2[nH]1 115387154 573187211 /nfs/dbraw/zinc/18/72/11/573187211.db2.gz NWJGWCXJZRUBQS-UHFFFAOYSA-N 0 0 199.206 2.561 10 0 AFAERN CCO[C@H](C(=O)[C@@H](C)CC)C(C)C 132019022 573187273 /nfs/dbraw/zinc/18/72/73/573187273.db2.gz DWYPBUMHPLRYLQ-ONGXEEELSA-N 0 0 186.295 2.663 10 0 AFAERN C[C@H](F)c1cccc(CCCO)c1 257962600 573187277 /nfs/dbraw/zinc/18/72/77/573187277.db2.gz BYBKIPHVGHKIOW-VIFPVBQESA-N 0 0 182.238 2.642 10 0 AFAERN COC(=O)/C=C\[C@@H](C)C1CCCCC1 308513926 573187313 /nfs/dbraw/zinc/18/73/13/573187313.db2.gz LYRFOJADKGSFKY-HSTULFTRSA-N 0 0 196.290 2.932 10 0 AFAERN [S-]c1cccc([C@H]2CCCC[NH2+]2)c1 104683953 573187321 /nfs/dbraw/zinc/18/73/21/573187321.db2.gz WNQNBAHNLWOYKY-LLVKDONJSA-N 0 0 193.315 2.790 10 0 AFAERN CCCOC(=O)CC1CC(C)(C)C1 308296618 573187335 /nfs/dbraw/zinc/18/73/35/573187335.db2.gz WCSQWDZFIJAXFC-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN Cc1ccc(C2(C)CC(=O)C2)cc1 222745591 573187397 /nfs/dbraw/zinc/18/73/97/573187397.db2.gz UVTUTKQZUCIRNB-UHFFFAOYSA-N 0 0 174.243 2.616 10 0 AFAERN CCc1c[nH]c2cc(=O)ccc-2c1C 238300330 573187464 /nfs/dbraw/zinc/18/74/64/573187464.db2.gz UBXRMXMSSWIEMY-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN OC1CCC2(CCCCC2)CC1 115366194 573187475 /nfs/dbraw/zinc/18/74/75/573187475.db2.gz CSIJSFPBVKETHZ-UHFFFAOYSA-N 0 0 168.280 2.872 10 0 AFAERN Cc1cccc(Oc2ncc[nH]2)c1 257962892 573187558 /nfs/dbraw/zinc/18/75/58/573187558.db2.gz YRYHSBKASODCRS-UHFFFAOYSA-N 0 0 174.203 2.510 10 0 AFAERN CCSc1ccc(C)c(O)c1 238300013 573187595 /nfs/dbraw/zinc/18/75/95/573187595.db2.gz KFWRHVQOHBQCOV-UHFFFAOYSA-N 0 0 168.261 2.813 10 0 AFAERN CC[C@@H](C)C(=O)OCC=C1CCC1 308297427 573187747 /nfs/dbraw/zinc/18/77/47/573187747.db2.gz KPNVEMIEVHFNDT-SECBINFHSA-N 0 0 182.263 2.686 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)c1ccco1 717236358 573187846 /nfs/dbraw/zinc/18/78/46/573187846.db2.gz ANXHOOWHLHPYQJ-RGOKHQFPSA-N 0 0 190.242 2.754 10 0 AFAERN CCc1c([S-])cccc1OC 238306389 573187884 /nfs/dbraw/zinc/18/78/84/573187884.db2.gz WSPHUGYGTIZUIJ-UHFFFAOYSA-N 0 0 168.261 2.546 10 0 AFAERN COC(=O)/C=C/[C@@H](C)C1CCCCC1 308513922 573187921 /nfs/dbraw/zinc/18/79/21/573187921.db2.gz LYRFOJADKGSFKY-AAXQSMANSA-N 0 0 196.290 2.932 10 0 AFAERN CC[C@H](C)[C@@H]1CCC[C@@H](CO)C1 238299945 573188036 /nfs/dbraw/zinc/18/80/36/573188036.db2.gz XXAJOQYNFASVJG-HBNTYKKESA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@@H]1C=CCN1C(=O)OC(C)(C)C 238300090 573188258 /nfs/dbraw/zinc/18/82/58/573188258.db2.gz GSTISUDTIQEWBE-SECBINFHSA-N 0 0 197.278 2.572 10 0 AFAERN CCSc1ccc(CC)c(N)c1 238300595 573188290 /nfs/dbraw/zinc/18/82/90/573188290.db2.gz HOIVHTFBLCQIAL-UHFFFAOYSA-N 0 0 181.304 2.943 10 0 AFAERN Cc1ccc2cc([C@H](C)O)ccc2n1 82778370 573188302 /nfs/dbraw/zinc/18/83/02/573188302.db2.gz NHAWMYZGLOGQHG-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN C/C=C/C=C/COC(=O)/C(C)=C/C 308298669 573188371 /nfs/dbraw/zinc/18/83/71/573188371.db2.gz KXIOAGVWKLYECX-YNFRKHJASA-N 0 0 180.247 2.628 10 0 AFAERN CCc1cccc(Cl)c1NC(C)=O 238300106 573188397 /nfs/dbraw/zinc/18/83/97/573188397.db2.gz MMMSFOKGXJMVKW-UHFFFAOYSA-N 0 0 197.665 2.861 10 0 AFAERN CNC(=O)O[C@H]1CCC[C@H](C(C)C)C1 238300071 573188430 /nfs/dbraw/zinc/18/84/30/573188430.db2.gz CDJCMAMFUOZEIV-UWVGGRQHSA-N 0 0 199.294 2.557 10 0 AFAERN CCc1cccc2c1C(=O)CCS2 238306255 573188657 /nfs/dbraw/zinc/18/86/57/573188657.db2.gz OWDGTJKKGXQKJX-UHFFFAOYSA-N 0 0 192.283 2.928 10 0 AFAERN C/C=C/CN(CC(F)(F)F)C(C)C 308296372 573188682 /nfs/dbraw/zinc/18/86/82/573188682.db2.gz KENSKZLIJZILRD-SNAWJCMRSA-N 0 0 195.228 2.835 10 0 AFAERN C[C@@H]1C[C@H](O)c2ccsc2S1 142210854 573188862 /nfs/dbraw/zinc/18/88/62/573188862.db2.gz RSJUYFIZTAZAEA-VDTYLAMSSA-N 0 0 186.301 2.666 10 0 AFAERN CCSc1ccc(F)c(OC)c1 238301203 573190398 /nfs/dbraw/zinc/19/03/98/573190398.db2.gz AVEUFDDOHILQBU-UHFFFAOYSA-N 0 0 186.251 2.946 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)CC1CC1 717236222 573189571 /nfs/dbraw/zinc/18/95/71/573189571.db2.gz NPWUBJYTQHCGMF-DQDDRIPDSA-N 0 0 178.275 2.648 10 0 AFAERN FCCc1ccc2cnccc2c1 142214843 573189666 /nfs/dbraw/zinc/18/96/66/573189666.db2.gz DPHXYXCAEVHLHJ-UHFFFAOYSA-N 0 0 175.206 2.747 10 0 AFAERN C[C@H](O)/C=C1\C[C@@H](C)c2ccccc21 308513800 573190556 /nfs/dbraw/zinc/19/05/56/573190556.db2.gz UBASKCHGSQJRAH-PCYIOHOOSA-N 0 0 188.270 2.958 10 0 AFAERN CC(C)C1C[C@H](C)C(O)[C@@H](C)C1 142124570 573189965 /nfs/dbraw/zinc/18/99/65/573189965.db2.gz BBMCPRKZKUXPNE-SAAXCQNUSA-N 0 0 170.296 2.686 10 0 AFAERN O=Cc1ccccc1[C@H]1CC[C@@H]1F 259602735 573190071 /nfs/dbraw/zinc/19/00/71/573190071.db2.gz DDUTZOCWYWEUKU-MNOVXSKESA-N 0 0 178.206 2.715 10 0 AFAERN O=Cc1ccccc1[C@@H]1CC[C@@H]1F 259602744 573190093 /nfs/dbraw/zinc/19/00/93/573190093.db2.gz DDUTZOCWYWEUKU-QWRGUYRKSA-N 0 0 178.206 2.715 10 0 AFAERN CCSc1ccc(OC)c(O)c1 238301947 573190178 /nfs/dbraw/zinc/19/01/78/573190178.db2.gz RLIUVTMCBNIUGQ-UHFFFAOYSA-N 0 0 184.260 2.513 10 0 AFAERN C=Cc1c(C)ccc(O)c1C 142106884 573190203 /nfs/dbraw/zinc/19/02/03/573190203.db2.gz NKEARTWMYNAHEC-UHFFFAOYSA-N 0 0 148.205 2.652 10 0 AFAERN CCc1c(N)cc(N)c2ccccc12 238301352 573190342 /nfs/dbraw/zinc/19/03/42/573190342.db2.gz OYEYFSVJUIJGFE-UHFFFAOYSA-N 0 0 186.258 2.567 10 0 AFAERN C[C@H](O)/C=C1\C[C@H](C)c2ccccc21 308513799 573190369 /nfs/dbraw/zinc/19/03/69/573190369.db2.gz UBASKCHGSQJRAH-CWIHFQEBSA-N 0 0 188.270 2.958 10 0 AFAERN COC(=O)/C=C/[C@H](C)C1CCCCC1 308513924 573190511 /nfs/dbraw/zinc/19/05/11/573190511.db2.gz LYRFOJADKGSFKY-DDXVTDLHSA-N 0 0 196.290 2.932 10 0 AFAERN Cc1[nH]ccc1/C=C/C(C)C 104692242 573190531 /nfs/dbraw/zinc/19/05/31/573190531.db2.gz NAKIPEWDDVQPJY-SNAWJCMRSA-N 0 0 149.237 2.992 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)CC1CC1 717236232 573191159 /nfs/dbraw/zinc/19/11/59/573191159.db2.gz NPWUBJYTQHCGMF-PXIYARARSA-N 0 0 178.275 2.648 10 0 AFAERN CC[C@H](C(=S)NC)c1ccccc1 238301909 573190680 /nfs/dbraw/zinc/19/06/80/573190680.db2.gz CWCIIIVYXFQPBQ-JTQLQIEISA-N 0 0 193.315 2.727 10 0 AFAERN CCc1c(O)cc2ccccc2c1O 238302079 573190775 /nfs/dbraw/zinc/19/07/75/573190775.db2.gz ITXKEZRHUFRTHY-UHFFFAOYSA-N 0 0 188.226 2.813 10 0 AFAERN c1ccc2c(c1)CCn1cccc1-2 115359494 573190945 /nfs/dbraw/zinc/19/09/45/573190945.db2.gz OYJFMBRHJFGCLY-UHFFFAOYSA-N 0 0 169.227 2.711 10 0 AFAERN CC[C@H](C(C)=O)C1=CCCC1 238302114 573191026 /nfs/dbraw/zinc/19/10/26/573191026.db2.gz IQKVRLHIBJMKKN-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN CC(=O)c1cccc2c1c(C)cn2C 257962661 573191033 /nfs/dbraw/zinc/19/10/33/573191033.db2.gz FWWORMAZSJNJHB-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN C[C@@H](F)c1cccc(CCCO)c1 257962597 573191148 /nfs/dbraw/zinc/19/11/48/573191148.db2.gz BYBKIPHVGHKIOW-SECBINFHSA-N 0 0 182.238 2.642 10 0 AFAERN CCOc1cccc(NC(C)=S)c1 238301499 573191352 /nfs/dbraw/zinc/19/13/52/573191352.db2.gz YZQKLKNMOJQDSA-UHFFFAOYSA-N 0 0 195.287 2.845 10 0 AFAERN CC[C@H](Nc1ccccc1C)[C@@H](C)O 238301134 573191445 /nfs/dbraw/zinc/19/14/45/573191445.db2.gz WWAWBNAUYQCNOR-MNOVXSKESA-N 0 0 193.290 2.566 10 0 AFAERN Oc1ccccc1N(Cl)Cl 115360754 573191531 /nfs/dbraw/zinc/19/15/31/573191531.db2.gz RVLLLUICHWZCLT-UHFFFAOYSA-N 0 0 178.018 2.506 10 0 AFAERN C/C=C(C)\C=C\C(=O)OC/C=C/C 308301183 573191559 /nfs/dbraw/zinc/19/15/59/573191559.db2.gz MBSZECUMCLZSAL-PLRHJWHASA-N 0 0 180.247 2.628 10 0 AFAERN CC[C@H](Nc1ccccc1C)[C@H](C)O 238301144 573191599 /nfs/dbraw/zinc/19/15/99/573191599.db2.gz WWAWBNAUYQCNOR-QWRGUYRKSA-N 0 0 193.290 2.566 10 0 AFAERN CCSc1ccc(O)c(F)c1 238301717 573192195 /nfs/dbraw/zinc/19/21/95/573192195.db2.gz AEBAKKSIIQMAEG-UHFFFAOYSA-N 0 0 172.224 2.643 10 0 AFAERN CCC(C)(C)OC(=O)CC1(C)CC1 308302598 573191679 /nfs/dbraw/zinc/19/16/79/573191679.db2.gz MUEOBDMMVHXFND-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN O=Cc1ccccc1[C@@H]1CC[C@H]1F 259602751 573192533 /nfs/dbraw/zinc/19/25/33/573192533.db2.gz DDUTZOCWYWEUKU-WDEREUQCSA-N 0 0 178.206 2.715 10 0 AFAERN CCSc1ccc(N)c(CC)c1 238301515 573191767 /nfs/dbraw/zinc/19/17/67/573191767.db2.gz QEYNDWRWJYGCSN-UHFFFAOYSA-N 0 0 181.304 2.943 10 0 AFAERN CC=CNc1ccccc1 104686206 573191893 /nfs/dbraw/zinc/19/18/93/573191893.db2.gz CMQVWUDDPJCWLD-KRXBUXKQSA-N 0 0 133.194 2.632 10 0 AFAERN COC(=O)[C@@]1(CC(C)C)CC1(C)C 225784757 573191901 /nfs/dbraw/zinc/19/19/01/573191901.db2.gz DBAMVCQPOPJXQJ-LLVKDONJSA-N 0 0 184.279 2.622 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)CC1CC1 717236228 573192045 /nfs/dbraw/zinc/19/20/45/573192045.db2.gz NPWUBJYTQHCGMF-GRLWKWRFSA-N 0 0 178.275 2.648 10 0 AFAERN CC1(n2cccc2)CCCC1 82785656 573192061 /nfs/dbraw/zinc/19/20/61/573192061.db2.gz DABUOSYVUJUCKO-UHFFFAOYSA-N 0 0 149.237 2.777 10 0 AFAERN CCc1cccc(N)c1C(F)(F)F 238301366 573192071 /nfs/dbraw/zinc/19/20/71/573192071.db2.gz HDEBGJXSOVZLJO-UHFFFAOYSA-N 0 0 189.180 2.850 10 0 AFAERN CNc1nc(C2CCCC2)c(C)o1 258574751 573192101 /nfs/dbraw/zinc/19/21/01/573192101.db2.gz LMEJVQVKVTUOIH-UHFFFAOYSA-N 0 0 180.251 2.682 10 0 AFAERN Cc1ccc(-c2cc(Cl)cnn2)o1 259361830 573192112 /nfs/dbraw/zinc/19/21/12/573192112.db2.gz GVEVRCFTAOUERS-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CC[C@H](C)CN(OC)C1CCCC1 308302159 573192141 /nfs/dbraw/zinc/19/21/41/573192141.db2.gz MNKDYVCHQSMHCW-JTQLQIEISA-N 0 0 185.311 2.839 10 0 AFAERN CCc1c(OC)cc2occc2c1O 238301998 573192144 /nfs/dbraw/zinc/19/21/44/573192144.db2.gz ZPCBTXQPUOFKIJ-UHFFFAOYSA-N 0 0 192.214 2.709 10 0 AFAERN C/C=C\COC(=O)/C=C/C(C)=C\C 308301182 573192203 /nfs/dbraw/zinc/19/22/03/573192203.db2.gz MBSZECUMCLZSAL-BUJCGARESA-N 0 0 180.247 2.628 10 0 AFAERN CCC(=O)OC[C@H]1C[C@@]1(C)C(C)C 308301617 573192245 /nfs/dbraw/zinc/19/22/45/573192245.db2.gz MIBTZHCMGCXEIE-KOLCDFICSA-N 0 0 184.279 2.622 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)c1ccco1 717236347 573192246 /nfs/dbraw/zinc/19/22/46/573192246.db2.gz ANXHOOWHLHPYQJ-KATARQTJSA-N 0 0 190.242 2.754 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1ccc(F)cn1 233340637 573192325 /nfs/dbraw/zinc/19/23/25/573192325.db2.gz UPWRKSMPDWBAHE-GZMMTYOYSA-N 0 0 197.253 2.690 10 0 AFAERN O=Cc1ccccc1[C@H]1CC[C@H]1F 259602678 573192420 /nfs/dbraw/zinc/19/24/20/573192420.db2.gz DDUTZOCWYWEUKU-GHMZBOCLSA-N 0 0 178.206 2.715 10 0 AFAERN CCOC(=O)n1cc(C)c2occc21 238300937 573192434 /nfs/dbraw/zinc/19/24/34/573192434.db2.gz NCHPBXJRAWHGSP-UHFFFAOYSA-N 0 0 193.202 2.547 10 0 AFAERN CCOC(=O)n1ccc2ccsc21 238301191 573192441 /nfs/dbraw/zinc/19/24/41/573192441.db2.gz ZQLOBZDQYLSMJZ-UHFFFAOYSA-N 0 0 195.243 2.707 10 0 AFAERN CC[C@@H](C)CN(OC)C1CCCC1 308302160 573193945 /nfs/dbraw/zinc/19/39/45/573193945.db2.gz MNKDYVCHQSMHCW-SNVBAGLBSA-N 0 0 185.311 2.839 10 0 AFAERN CC[C@@H](C)Cn1ccc(C2CC2)n1 308301168 573193132 /nfs/dbraw/zinc/19/31/32/573193132.db2.gz MAVXOAQLAFTZSQ-SECBINFHSA-N 0 0 178.279 2.807 10 0 AFAERN CC[C@H](C)[C@H]1C=CC[C@@H](CO)C1 238300687 573193419 /nfs/dbraw/zinc/19/34/19/573193419.db2.gz YJZSRIKRZWJYTH-AXFHLTTASA-N 0 0 168.280 2.607 10 0 AFAERN CCSc1ccc(F)c(N)c1 238301173 573193438 /nfs/dbraw/zinc/19/34/38/573193438.db2.gz BDTRUCITYUFANW-UHFFFAOYSA-N 0 0 171.240 2.520 10 0 AFAERN COC(=S)c1ccc(Cl)cc1 142123847 573193473 /nfs/dbraw/zinc/19/34/73/573193473.db2.gz GUWIAWNBRQFKLL-UHFFFAOYSA-N 0 0 186.663 2.662 10 0 AFAERN CC(C)[C@@H]1CCC(C)(C)C1=O 115424479 573193810 /nfs/dbraw/zinc/19/38/10/573193810.db2.gz ZMARHWQSFYXAJV-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)C[C@H](F)c1ccc(F)cc1 257963678 573193865 /nfs/dbraw/zinc/19/38/65/573193865.db2.gz XPOPGYVQBWHEAN-JTQLQIEISA-N 0 0 184.185 2.815 10 0 AFAERN CCSCc1ccc2c(c1)NCC2 257963389 573194601 /nfs/dbraw/zinc/19/46/01/573194601.db2.gz CXGSNCBBHBCVFU-UHFFFAOYSA-N 0 0 193.315 2.908 10 0 AFAERN C/C=C\COC(=O)/C=C/C(C)=C/C 308301184 573194606 /nfs/dbraw/zinc/19/46/06/573194606.db2.gz MBSZECUMCLZSAL-SIQCTUBZSA-N 0 0 180.247 2.628 10 0 AFAERN C/C=C/COC(=O)/C=C/C(C)=C/C 308301185 573194827 /nfs/dbraw/zinc/19/48/27/573194827.db2.gz MBSZECUMCLZSAL-YNFRKHJASA-N 0 0 180.247 2.628 10 0 AFAERN CC(=O)C[C@@H](F)c1ccc(F)cc1 257963682 573195171 /nfs/dbraw/zinc/19/51/71/573195171.db2.gz XPOPGYVQBWHEAN-SNVBAGLBSA-N 0 0 184.185 2.815 10 0 AFAERN CC(F)(F)Oc1ccc2c(c1)NCC2 257966932 573196267 /nfs/dbraw/zinc/19/62/67/573196267.db2.gz JVXCPJKQRLIKRO-UHFFFAOYSA-N 0 0 199.200 2.646 10 0 AFAERN CC[C@@H]1CC(CO)C[C@@H](CC)C1 238302557 573196277 /nfs/dbraw/zinc/19/62/77/573196277.db2.gz BJLHQRNVRCXITK-UWVGGRQHSA-N 0 0 170.296 2.831 10 0 AFAERN C=Cc1cc(C)cc(Cl)n1 115414907 573196292 /nfs/dbraw/zinc/19/62/92/573196292.db2.gz YEMNJYXLIQVIAG-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN CC[C@H]1CCc2c(CO)cccc21 238310373 573196424 /nfs/dbraw/zinc/19/64/24/573196424.db2.gz LXIRJDIKIMLHTO-VIFPVBQESA-N 0 0 176.259 2.619 10 0 AFAERN O=c1[nH]cc(C2CCCCCC2)[nH]1 257967878 573196465 /nfs/dbraw/zinc/19/64/65/573196465.db2.gz YFZDCAFIKLGRNX-UHFFFAOYSA-N 0 0 180.251 2.553 10 0 AFAERN CC[C@H](C)CC(=O)OCC1(C)CC1 308304899 573196513 /nfs/dbraw/zinc/19/65/13/573196513.db2.gz NVYJERSXRWGFLM-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN CCc1cc(OC)c2cnsc2c1 238310425 573196540 /nfs/dbraw/zinc/19/65/40/573196540.db2.gz WDXFSCZGGWTSSE-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN CC[C@H](CO)Sc1ccsc1 238310536 573196546 /nfs/dbraw/zinc/19/65/46/573196546.db2.gz VIXJKYIHCVMTIX-SSDOTTSWSA-N 0 0 188.317 2.611 10 0 AFAERN CCCC[C@@H](O)[C@@H](C)/C=C\Cl 219288482 573196557 /nfs/dbraw/zinc/19/65/57/573196557.db2.gz PCBWLNWDBXEYLT-XFPDIIEBSA-N 0 0 176.687 2.926 10 0 AFAERN CCNc1nsc(Cl)c1Cl 223602049 573196563 /nfs/dbraw/zinc/19/65/63/573196563.db2.gz AMJZGPAJHVNYIW-UHFFFAOYSA-N 0 0 197.090 2.882 10 0 AFAERN CS/C=C\C(=O)OCC=C1CCC1 308306378 573196603 /nfs/dbraw/zinc/19/66/03/573196603.db2.gz OFPOHOSAPJEGJJ-VURMDHGXSA-N 0 0 198.287 2.517 10 0 AFAERN CCONCC[C@@H]1CCC[C@H](C)C1 308305669 573196661 /nfs/dbraw/zinc/19/66/61/573196661.db2.gz NSAIRMFZGWWISP-QWRGUYRKSA-N 0 0 185.311 2.744 10 0 AFAERN CCC(C)(C)COC(=O)CC1CC1 308305751 573197653 /nfs/dbraw/zinc/19/76/53/573197653.db2.gz OGSZOYXQKLSANE-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CN(C)c1cc[nH]c1-c1ccccc1 238310314 573196750 /nfs/dbraw/zinc/19/67/50/573196750.db2.gz IZINYEFVPDQLHC-UHFFFAOYSA-N 0 0 186.258 2.748 10 0 AFAERN CC(C)(CO)c1ccc2ccoc2c1 257967020 573196842 /nfs/dbraw/zinc/19/68/42/573196842.db2.gz CIZFJKDRRVETCD-UHFFFAOYSA-N 0 0 190.242 2.703 10 0 AFAERN CC[C@@H]1CC=C(C)[C@@H](C(C)=O)C1 238302879 573196896 /nfs/dbraw/zinc/19/68/96/573196896.db2.gz VMMUGOVJBRHWDQ-MNOVXSKESA-N 0 0 166.264 2.958 10 0 AFAERN CC1=C[C@@H](C(=O)C(C)C)CCC1 224850846 573196919 /nfs/dbraw/zinc/19/69/19/573196919.db2.gz RDOIPTBPLNMWMT-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)[C@H]1CCC(C)(C)C1=O 115424482 573197071 /nfs/dbraw/zinc/19/70/71/573197071.db2.gz ZMARHWQSFYXAJV-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN Clc1ncc(Cc2ccco2)s1 258580480 573197132 /nfs/dbraw/zinc/19/71/32/573197132.db2.gz QSFZAQDEIZLBSO-UHFFFAOYSA-N 0 0 199.662 2.980 10 0 AFAERN CC[C@H](F)C[N@@H+]1CCC[C@H](CC)C1 308306472 573197150 /nfs/dbraw/zinc/19/71/50/573197150.db2.gz OUHNHIJSTDTNTA-QWRGUYRKSA-N 0 0 187.302 2.857 10 0 AFAERN C/C=C/Cc1ccc(F)cc1 90628897 573197202 /nfs/dbraw/zinc/19/72/02/573197202.db2.gz BNPIMZOVKJNIRM-NSCUHMNNSA-N 0 0 150.196 2.944 10 0 AFAERN Cc1cc2ccc([C@H](C)CO)cc2o1 257967016 573197225 /nfs/dbraw/zinc/19/72/25/573197225.db2.gz CINFFHQXJOTKED-MRVPVSSYSA-N 0 0 190.242 2.837 10 0 AFAERN CCc1cc(C(C)=O)c(OC)cc1F 257967018 573197260 /nfs/dbraw/zinc/19/72/60/573197260.db2.gz CIWMMNYOQJFIFE-UHFFFAOYSA-N 0 0 196.221 2.599 10 0 AFAERN O=C1CCC[C@@]2(C=CCCC2)C1 115454595 573197341 /nfs/dbraw/zinc/19/73/41/573197341.db2.gz PTUHJCBFQFTSGT-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN Cc1ccc([C@H](C)CO)c2c1CCC2 257967028 573197370 /nfs/dbraw/zinc/19/73/70/573197370.db2.gz CJOXAXPHPLEJCL-SNVBAGLBSA-N 0 0 190.286 2.580 10 0 AFAERN Clc1c[nH]c(Cc2cccs2)n1 258580428 573197439 /nfs/dbraw/zinc/19/74/39/573197439.db2.gz QREZBXBWQIRLIN-UHFFFAOYSA-N 0 0 198.678 2.715 10 0 AFAERN CC[C@H](F)C[N@@H+]1CCC[C@@H](CC)C1 308306471 573197458 /nfs/dbraw/zinc/19/74/58/573197458.db2.gz OUHNHIJSTDTNTA-MNOVXSKESA-N 0 0 187.302 2.857 10 0 AFAERN CC[C@@H]1CC=C(C)[C@H](C(C)=O)C1 238302890 573197521 /nfs/dbraw/zinc/19/75/21/573197521.db2.gz VMMUGOVJBRHWDQ-GHMZBOCLSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@H](C)COC(=O)/C=C/C1CC1 308306440 573197699 /nfs/dbraw/zinc/19/76/99/573197699.db2.gz OSKPPJZQWWPAQD-UCUJLANTSA-N 0 0 182.263 2.542 10 0 AFAERN Cc1ccc2c(c1)CC[C@H](O)C2(C)C 259365361 573197797 /nfs/dbraw/zinc/19/77/97/573197797.db2.gz QGNCKCOLCXLGLR-LBPRGKRZSA-N 0 0 190.286 2.580 10 0 AFAERN CCn1ccc2c(C(C)=O)cccc21 258238601 573197823 /nfs/dbraw/zinc/19/78/23/573197823.db2.gz SHGFPYRBZOAZLT-UHFFFAOYSA-N 0 0 187.242 2.864 10 0 AFAERN CCc1c(Cl)nnc(Cl)c1C 115445526 573197837 /nfs/dbraw/zinc/19/78/37/573197837.db2.gz GGKZBBHGNCEWND-UHFFFAOYSA-N 0 0 191.061 2.654 10 0 AFAERN CC[C@H]1CCc2c(C=O)cccc21 238310361 573197913 /nfs/dbraw/zinc/19/79/13/573197913.db2.gz AHTAONSISDVGQJ-VIFPVBQESA-N 0 0 174.243 2.939 10 0 AFAERN CCC[C@H](C)[C@@H](O)c1csc(C)n1 233341023 573197934 /nfs/dbraw/zinc/19/79/34/573197934.db2.gz INLBYHMWFTUYKC-OIBJUYFYSA-N 0 0 199.319 2.921 10 0 AFAERN CC[C@H](C)COC(=O)/C=C\C1CC1 308306439 573197969 /nfs/dbraw/zinc/19/79/69/573197969.db2.gz OSKPPJZQWWPAQD-NMTCXDENSA-N 0 0 182.263 2.542 10 0 AFAERN O=C1CCC[C@]2(C=CCCC2)C1 115454591 573197975 /nfs/dbraw/zinc/19/79/75/573197975.db2.gz PTUHJCBFQFTSGT-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CCc1c(O)cc(C)c(C)c1C 238302548 573198043 /nfs/dbraw/zinc/19/80/43/573198043.db2.gz UGNVCJYUGHVVCK-UHFFFAOYSA-N 0 0 164.248 2.880 10 0 AFAERN Cc1cc2ccc([C@@H](C)CO)cc2o1 257967017 573198079 /nfs/dbraw/zinc/19/80/79/573198079.db2.gz CINFFHQXJOTKED-QMMMGPOBSA-N 0 0 190.242 2.837 10 0 AFAERN CC(=O)c1coc(C2CCCCC2)n1 257967741 573198109 /nfs/dbraw/zinc/19/81/09/573198109.db2.gz GVNHKVYPLZGATA-UHFFFAOYSA-N 0 0 193.246 2.925 10 0 AFAERN CCc1c(O)cc(O)c(CC)c1C 238302682 573198188 /nfs/dbraw/zinc/19/81/88/573198188.db2.gz YLVOYMMSYLKDJX-UHFFFAOYSA-N 0 0 180.247 2.531 10 0 AFAERN C/C=C(\C)C(=O)N[C@H](C)C(C)(C)C 308305741 573198213 /nfs/dbraw/zinc/19/82/13/573198213.db2.gz OGJFFJYVXJBKMQ-FCZSHJHJSA-N 0 0 183.295 2.503 10 0 AFAERN C[C@H](O)c1cc(-c2ccccc2)ccn1 259365422 573198249 /nfs/dbraw/zinc/19/82/49/573198249.db2.gz QGUXVQKFRGZMPV-JTQLQIEISA-N 0 0 199.253 2.802 10 0 AFAERN CC[C@@H](C)C[NH2+]CC(F)(F)C1CC1 308305290 573198277 /nfs/dbraw/zinc/19/82/77/573198277.db2.gz OAQBGUSEKWKGRH-MRVPVSSYSA-N 0 0 191.265 2.667 10 0 AFAERN CCSc1ccc2c(c1)C(=O)CC2 238310296 573198324 /nfs/dbraw/zinc/19/83/24/573198324.db2.gz JDHLJUAHRLHSHC-UHFFFAOYSA-N 0 0 192.283 2.928 10 0 AFAERN Cc1cccc(NC(C)(C)C2CC2)n1 235929633 573198372 /nfs/dbraw/zinc/19/83/72/573198372.db2.gz TXFVSSPQEZNPCE-UHFFFAOYSA-N 0 0 190.290 2.991 10 0 AFAERN CCc1sc(C=O)nc1C(C)C 257966483 573198396 /nfs/dbraw/zinc/19/83/96/573198396.db2.gz YBKNSGFBXWRLQW-UHFFFAOYSA-N 0 0 183.276 2.641 10 0 AFAERN C[C@@H](O)c1cc(-c2ccccc2)ccn1 259365426 573198398 /nfs/dbraw/zinc/19/83/98/573198398.db2.gz QGUXVQKFRGZMPV-SNVBAGLBSA-N 0 0 199.253 2.802 10 0 AFAERN Cc1ccc([C@@H](C)CO)c2c1CCC2 257967027 573198642 /nfs/dbraw/zinc/19/86/42/573198642.db2.gz CJOXAXPHPLEJCL-JTQLQIEISA-N 0 0 190.286 2.580 10 0 AFAERN CC[C@H](CO)[C@@H]1CCC[C@@H](C)C1 238310686 573201948 /nfs/dbraw/zinc/20/19/48/573201948.db2.gz XCUQVCOTZDSCPL-GMTAPVOTSA-N 0 0 170.296 2.831 10 0 AFAERN CCCC/C(=C/C(=O)NC)C(C)(C)C 225891125 573202036 /nfs/dbraw/zinc/20/20/36/573202036.db2.gz VEKYHIDFBMOJBC-KTKRTIGZSA-N 0 0 197.322 2.895 10 0 AFAERN Cc1noc2ccc(C=O)c(Cl)c12 259371172 573201961 /nfs/dbraw/zinc/20/19/61/573201961.db2.gz JHTJXCMTNNYWFH-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN Cc1ccc(Cl)cc1[C@H](C)CO 257968865 573201962 /nfs/dbraw/zinc/20/19/62/573201962.db2.gz CNIPAAAHNFRREK-MRVPVSSYSA-N 0 0 184.666 2.744 10 0 AFAERN CC[C@H](CO)c1c[nH]c2ccccc12 238311013 573201104 /nfs/dbraw/zinc/20/11/04/573201104.db2.gz DRTMEGOXBGRCEB-SECBINFHSA-N 0 0 189.258 2.654 10 0 AFAERN C=Cc1ccc(C)cc1NC 104697542 573201106 /nfs/dbraw/zinc/20/11/06/573201106.db2.gz NWGTVXNPYNHXCM-UHFFFAOYSA-N 0 0 147.221 2.680 10 0 AFAERN C[C@@H](O)c1ccc2c(c1)SC[C@@H]2C 257968760 573201213 /nfs/dbraw/zinc/20/12/13/573201213.db2.gz GIEOTMQPYDMABY-JGVFFNPUSA-N 0 0 194.299 2.949 10 0 AFAERN CCc1ccccc1NC(=N)Cl 238311705 573201274 /nfs/dbraw/zinc/20/12/74/573201274.db2.gz KAUFAPZUSITKMK-UHFFFAOYSA-N 0 0 182.654 2.834 10 0 AFAERN F[C@H]1CNc2c(Cl)cccc21 257969379 573201317 /nfs/dbraw/zinc/20/13/17/573201317.db2.gz YLHURAQBGXBWJA-ZETCQYMHSA-N 0 0 171.602 2.776 10 0 AFAERN CC(C)(C)Cc1ccc[nH]1 104701090 573201329 /nfs/dbraw/zinc/20/13/29/573201329.db2.gz NVJKYMQLHIKQQL-UHFFFAOYSA-N 0 0 137.226 2.603 10 0 AFAERN CC(=O)C(F)(F)C1CCCCC1 257969396 573201396 /nfs/dbraw/zinc/20/13/96/573201396.db2.gz YLYGIWWNPKXNMO-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN CC(C)n1ncc(C=O)c1C(C)(C)C 257748184 573201701 /nfs/dbraw/zinc/20/17/01/573201701.db2.gz ITJCGWDTYDKCOD-UHFFFAOYSA-N 0 0 194.278 2.574 10 0 AFAERN CCOc1c(C(C)=O)ccc(C)c1C 257749514 573201729 /nfs/dbraw/zinc/20/17/29/573201729.db2.gz WCDYAJBGMCKGJA-UHFFFAOYSA-N 0 0 192.258 2.905 10 0 AFAERN CCN1c2c(C)cccc2NC[C@@H]1C 259370589 573201758 /nfs/dbraw/zinc/20/17/58/573201758.db2.gz VLQZTIOEEANONS-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN Cc1coc(Oc2ccccc2F)n1 257969665 573201868 /nfs/dbraw/zinc/20/18/68/573201868.db2.gz ZOKZIWWNRIKDAO-UHFFFAOYSA-N 0 0 193.177 2.914 10 0 AFAERN CC[C@H](O)[C@@H]1CC=C(C)C[C@@H]1C 238311558 573202073 /nfs/dbraw/zinc/20/20/73/573202073.db2.gz DFJZNCYTFCSIHK-AXFHLTTASA-N 0 0 168.280 2.750 10 0 AFAERN CC(=O)CC(C)(C)C(C)C 82816198 573210297 /nfs/dbraw/zinc/21/02/97/573210297.db2.gz TXPSNGVYUTVIGZ-UHFFFAOYSA-N 0 0 142.242 2.648 10 0 AFAERN Cc1ccccc1OCc1ncco1 257969791 573204282 /nfs/dbraw/zinc/20/42/82/573204282.db2.gz ZSIGHBMBYMIXKY-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN CCN1c2c(C)cccc2NC[C@H]1C 259370594 573203641 /nfs/dbraw/zinc/20/36/41/573203641.db2.gz VLQZTIOEEANONS-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN CSCc1cc2c(N)cccc2[nH]1 257970115 573203690 /nfs/dbraw/zinc/20/36/90/573203690.db2.gz IPKQCLWLKGZPOB-UHFFFAOYSA-N 0 0 192.287 2.613 10 0 AFAERN CC(=O)c1ccc2c(c1F)CCC2 257968308 573203730 /nfs/dbraw/zinc/20/37/30/573203730.db2.gz HYYXICCNAYWOLW-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN C=Cc1ccccc1NCC 104704439 573203767 /nfs/dbraw/zinc/20/37/67/573203767.db2.gz VRABELOLRVRYEK-UHFFFAOYSA-N 0 0 147.221 2.761 10 0 AFAERN C[C@H](O)c1ccc2c(c1)SC[C@H]2C 257968762 573203871 /nfs/dbraw/zinc/20/38/71/573203871.db2.gz GIEOTMQPYDMABY-SFYZADRCSA-N 0 0 194.299 2.949 10 0 AFAERN OC1(Cc2cccc3occc23)CC1 257969002 573204086 /nfs/dbraw/zinc/20/40/86/573204086.db2.gz CPXINYWMTWIFBL-UHFFFAOYSA-N 0 0 188.226 2.500 10 0 AFAERN CC(=O)C[C@H](C)c1ccccc1F 82807283 573204179 /nfs/dbraw/zinc/20/41/79/573204179.db2.gz UPSIBKQYZSJFAJ-QMMMGPOBSA-N 0 0 180.222 2.908 10 0 AFAERN Cc1cn(C(C)C)c(OC(C)C)n1 257969714 573204604 /nfs/dbraw/zinc/20/46/04/573204604.db2.gz ZQCHEJVDZLQYLE-UHFFFAOYSA-N 0 0 182.267 2.560 10 0 AFAERN CSCCC[C@@H]1CC[C@@H](O)[C@H]1C 252913503 573204237 /nfs/dbraw/zinc/20/42/37/573204237.db2.gz OBMQOVIWPGEXSY-IVZWLZJFSA-N 0 0 188.336 2.537 10 0 AFAERN CN(c1ccc(O)cc1)[Si](C)(C)C 238310910 573204260 /nfs/dbraw/zinc/20/42/60/573204260.db2.gz MVUOXVJWQSTFOU-UHFFFAOYSA-N 0 0 195.338 2.663 10 0 AFAERN CC[C@H](CO)n1ccc2ccccc21 238311180 573204340 /nfs/dbraw/zinc/20/43/40/573204340.db2.gz BMRSAEGJKYYWAC-LLVKDONJSA-N 0 0 189.258 2.585 10 0 AFAERN Cc1c[nH]cc1C(C)(C)C 104704810 573204425 /nfs/dbraw/zinc/20/44/25/573204425.db2.gz XRXVSDDPQHGISP-UHFFFAOYSA-N 0 0 137.226 2.621 10 0 AFAERN CC[C@H](O)[C@@H]1CCC(C)=C(C)C1 238311621 573204614 /nfs/dbraw/zinc/20/46/14/573204614.db2.gz NDCABZMEFQACIL-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN CC(=O)C[C@@H](C)Cc1cccc(F)c1 82807181 573204462 /nfs/dbraw/zinc/20/44/62/573204462.db2.gz FAEFUMUPMYYPMP-SECBINFHSA-N 0 0 194.249 2.983 10 0 AFAERN CC[C@@H](CO)c1coc2ccccc12 259367196 573204496 /nfs/dbraw/zinc/20/44/96/573204496.db2.gz UUZWSCDGFUXFAD-VIFPVBQESA-N 0 0 190.242 2.919 10 0 AFAERN CC[C@H](CO)c1coc2ccccc12 259367192 573206055 /nfs/dbraw/zinc/20/60/55/573206055.db2.gz UUZWSCDGFUXFAD-SECBINFHSA-N 0 0 190.242 2.919 10 0 AFAERN CC(=O)C[C@@H](C)c1ccccc1F 82807284 573206243 /nfs/dbraw/zinc/20/62/43/573206243.db2.gz UPSIBKQYZSJFAJ-MRVPVSSYSA-N 0 0 180.222 2.908 10 0 AFAERN CC[C@@]12C=CC[C@@H]1C(=O)CCC2 238313459 573207792 /nfs/dbraw/zinc/20/77/92/573207792.db2.gz VOVQTDPKMPHMCB-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc2[nH]ccc2s1 104709157 573206246 /nfs/dbraw/zinc/20/62/46/573206246.db2.gz VRTIWSBKSLWMKI-UHFFFAOYSA-N 0 0 137.207 2.538 10 0 AFAERN CC[C@@H](C)C(=O)OCCC1(C)CC1 308310032 573206372 /nfs/dbraw/zinc/20/63/72/573206372.db2.gz QSNCLXVQHGZBRX-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN Cc1ccc(CC2([C@H](C)O)CC2)cc1 235529701 573206435 /nfs/dbraw/zinc/20/64/35/573206435.db2.gz VCRWYCSAXMZQIH-NSHDSACASA-N 0 0 190.286 2.699 10 0 AFAERN Nc1cccc([C@@H]2CCC2(F)F)c1 259603518 573206447 /nfs/dbraw/zinc/20/64/47/573206447.db2.gz DGSHFAHJYHAZRW-VIFPVBQESA-N 0 0 183.201 2.782 10 0 AFAERN Cc1ccc2c(C)c(C=O)cnc2c1 257963906 573206519 /nfs/dbraw/zinc/20/65/19/573206519.db2.gz XSMOIMWFWBHCBX-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN Cc1cc(C)c(C)c(C(C)(C)CO)c1 257965020 573206536 /nfs/dbraw/zinc/20/65/36/573206536.db2.gz CEJFDWJLQZNLPP-UHFFFAOYSA-N 0 0 192.302 2.882 10 0 AFAERN CC(C)=CCNC(C)(C)C(C)(F)F 405934016 573206576 /nfs/dbraw/zinc/20/65/76/573206576.db2.gz YIVZSLBCQUHWTH-UHFFFAOYSA-N 0 0 191.265 2.976 10 0 AFAERN CCc1cc2c(cc1N)CCCC2 238312543 573206603 /nfs/dbraw/zinc/20/66/03/573206603.db2.gz WROUPSMYBDCHCQ-UHFFFAOYSA-N 0 0 175.275 2.710 10 0 AFAERN Cc1cc(CC(C)C)c[nH]1 104709174 573206632 /nfs/dbraw/zinc/20/66/32/573206632.db2.gz SQSKMEYUUIFMTF-UHFFFAOYSA-N 0 0 137.226 2.522 10 0 AFAERN CC[C@]12CCCC[C@@H]1CC(=O)C2 238313555 573206744 /nfs/dbraw/zinc/20/67/44/573206744.db2.gz AYNPMKCEGKLFCV-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN C1=C(c2ccc[nH]2)CCC1 104707715 573206755 /nfs/dbraw/zinc/20/67/55/573206755.db2.gz FTWCWEWGJWDPDG-UHFFFAOYSA-N 0 0 133.194 2.582 10 0 AFAERN CC[C@]12CCCC[C@@H]1C(=O)CC2 238313534 573206758 /nfs/dbraw/zinc/20/67/58/573206758.db2.gz YHENTUAOCFWXBC-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN CCc1cc(C)cc(C)c1C=O 115600387 573206798 /nfs/dbraw/zinc/20/67/98/573206798.db2.gz PULOQZFNRXQPPZ-UHFFFAOYSA-N 0 0 162.232 2.678 10 0 AFAERN CCc1cc(C)cc(CC)c1C=O 115600135 573206835 /nfs/dbraw/zinc/20/68/35/573206835.db2.gz VUPDEVLWJXNDPT-UHFFFAOYSA-N 0 0 176.259 2.932 10 0 AFAERN C[C@H](O)C[C@H](C)C1CCCC1 82811826 573206859 /nfs/dbraw/zinc/20/68/59/573206859.db2.gz PYBSKIZRAVFKDS-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cncc(C(=O)[C@H]2CC2(C)C)c1 235932864 573206863 /nfs/dbraw/zinc/20/68/63/573206863.db2.gz JGJMDHLPJSNHMP-SNVBAGLBSA-N 0 0 189.258 2.619 10 0 AFAERN C[C@@H](C[C@@H](C)O)c1ccc(F)cc1 82812207 573206878 /nfs/dbraw/zinc/20/68/78/573206878.db2.gz CNJYWTNRMJCZCD-DTWKUNHWSA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@@]12C=CC[C@H]1C(=O)CCC2 238313422 573207102 /nfs/dbraw/zinc/20/71/02/573207102.db2.gz VOVQTDPKMPHMCB-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1ccccc1[C@H](C)C[C@H](C)O 82812104 573207219 /nfs/dbraw/zinc/20/72/19/573207219.db2.gz BQKOJSSPBNJYRW-MNOVXSKESA-N 0 0 178.275 2.869 10 0 AFAERN Nc1cccc(SCC2CC2)c1 85927299 573207341 /nfs/dbraw/zinc/20/73/41/573207341.db2.gz VMKKMBZYMMASHX-UHFFFAOYSA-N 0 0 179.288 2.771 10 0 AFAERN C[C@H](O)C[C@@H](C)c1cccs1 82811925 573207387 /nfs/dbraw/zinc/20/73/87/573207387.db2.gz JAIXROKSNSNESZ-SFYZADRCSA-N 0 0 170.277 2.623 10 0 AFAERN Cc1ccc([C@@H](C)C[C@@H](C)O)cc1 82812215 573207522 /nfs/dbraw/zinc/20/75/22/573207522.db2.gz OPNHPFQSAFEZGG-WDEREUQCSA-N 0 0 178.275 2.869 10 0 AFAERN OCc1ncoc1C1CCCCCC1 85942187 573207560 /nfs/dbraw/zinc/20/75/60/573207560.db2.gz TVMJEHCBQGSZNZ-UHFFFAOYSA-N 0 0 195.262 2.605 10 0 AFAERN CCc1cc2c(cc1C=O)CCC2 238312694 573207680 /nfs/dbraw/zinc/20/76/80/573207680.db2.gz FUATWAWOGISQGN-UHFFFAOYSA-N 0 0 174.243 2.550 10 0 AFAERN CC(C)c1cc(C=O)c(F)cc1F 257964002 573207704 /nfs/dbraw/zinc/20/77/04/573207704.db2.gz XUDJDVBBUDVDOV-UHFFFAOYSA-N 0 0 184.185 2.901 10 0 AFAERN C[C@H](O)C[C@H](C)c1cccc(F)c1 82811508 573207712 /nfs/dbraw/zinc/20/77/12/573207712.db2.gz QCFOZFZFFJZSBM-IUCAKERBSA-N 0 0 182.238 2.700 10 0 AFAERN Cc1cccc(NCC2CCC2)c1N 235932876 573207813 /nfs/dbraw/zinc/20/78/13/573207813.db2.gz AOQMJNQSDIBSLB-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CCC(=O)c1ccc(F)c(CC)c1O 115693589 573207880 /nfs/dbraw/zinc/20/78/80/573207880.db2.gz AMYAFYXVRYNIJE-UHFFFAOYSA-N 0 0 196.221 2.686 10 0 AFAERN Cc1cccc(NCC2(C)CC2)c1N 235932112 573209922 /nfs/dbraw/zinc/20/99/22/573209922.db2.gz VTSGMUTVMMZRGA-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN C/C=C(\CC)C(=O)O[C@@H]1C=CCC1 308308860 573209364 /nfs/dbraw/zinc/20/93/64/573209364.db2.gz PWURCZPVQUTAKE-OTVCUZDGSA-N 0 0 180.247 2.605 10 0 AFAERN C[C@@H](O)C[C@@H](C)c1cccc(F)c1 82811505 573209381 /nfs/dbraw/zinc/20/93/81/573209381.db2.gz QCFOZFZFFJZSBM-RKDXNWHRSA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@@H](C)C(C)C 123833501 573209447 /nfs/dbraw/zinc/20/94/47/573209447.db2.gz JNZADBBIFXYTAI-LPEHRKFASA-N 0 0 158.285 2.686 10 0 AFAERN CCc1cc2c(cc1[C@H](C)O)CCC2 238312715 573209502 /nfs/dbraw/zinc/20/95/02/573209502.db2.gz JHNMISOIFPMTQN-VIFPVBQESA-N 0 0 190.286 2.791 10 0 AFAERN Nc1ccc(F)cc1SCC1CC1 85932849 573209504 /nfs/dbraw/zinc/20/95/04/573209504.db2.gz JVVVDKHEIVMFHQ-UHFFFAOYSA-N 0 0 197.278 2.910 10 0 AFAERN CC[C@]12CCCC(=O)[C@@H]1CC2 238313411 573209516 /nfs/dbraw/zinc/20/95/16/573209516.db2.gz IVTANCOUMALGRW-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ccccc1[C@@H](C)C[C@@H](C)O 82812098 573209520 /nfs/dbraw/zinc/20/95/20/573209520.db2.gz BQKOJSSPBNJYRW-WDEREUQCSA-N 0 0 178.275 2.869 10 0 AFAERN C[C@@H](C[C@@H](C)O)c1ccccc1F 82811698 573209591 /nfs/dbraw/zinc/20/95/91/573209591.db2.gz UAVKKUHBPNRFEI-DTWKUNHWSA-N 0 0 182.238 2.700 10 0 AFAERN Cc1cccc([C@@H](C)C[C@@H](C)O)c1 82811689 573209602 /nfs/dbraw/zinc/20/96/02/573209602.db2.gz VSIGXXJSTORRJR-WDEREUQCSA-N 0 0 178.275 2.869 10 0 AFAERN C/C=C(\CC)C(=O)O[C@H]1C=CCC1 308308861 573209786 /nfs/dbraw/zinc/20/97/86/573209786.db2.gz PWURCZPVQUTAKE-RZCNENHTSA-N 0 0 180.247 2.605 10 0 AFAERN C1=C(c2cc[nH]c2)CCC1 104706052 573209877 /nfs/dbraw/zinc/20/98/77/573209877.db2.gz ZFZQMPTTXPUWGI-UHFFFAOYSA-N 0 0 133.194 2.582 10 0 AFAERN C[C@H](O)C[C@@H](C)C1CCCC1 82811828 573209975 /nfs/dbraw/zinc/20/99/75/573209975.db2.gz PYBSKIZRAVFKDS-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H](C[C@@H](C)O)c1cccc(F)c1 82811503 573210050 /nfs/dbraw/zinc/21/00/50/573210050.db2.gz QCFOZFZFFJZSBM-DTWKUNHWSA-N 0 0 182.238 2.700 10 0 AFAERN Cc1ccc(N)cc1SC(F)F 85935324 573210062 /nfs/dbraw/zinc/21/00/62/573210062.db2.gz HPPLEQFYWAUGOO-UHFFFAOYSA-N 0 0 189.230 2.892 10 0 AFAERN C/C(=C\c1cc(F)cc(F)c1)[C@H](C)O 235539996 573210140 /nfs/dbraw/zinc/21/01/40/573210140.db2.gz KFLWTDUCMOTYJD-DKCNVOGISA-N 0 0 198.212 2.749 10 0 AFAERN CC(C)CC[C@@H](C)C[C@@H](C)O 82811476 573210176 /nfs/dbraw/zinc/21/01/76/573210176.db2.gz RDHDOXWUSHJJTI-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)(O)c1c[nH]c2c(F)cccc12 257971526 573210202 /nfs/dbraw/zinc/21/02/02/573210202.db2.gz ABZKMZGTGGSZFG-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN C[C@@H]1C[C@@]1(C)CNc1ccc(O)cc1 714650231 573210250 /nfs/dbraw/zinc/21/02/50/573210250.db2.gz AYUFDPGOLCNXDP-SKDRFNHKSA-N 0 0 191.274 2.850 10 0 AFAERN Oc1ccc2c(ccn2C2CC2)c1 257971871 573210280 /nfs/dbraw/zinc/21/02/80/573210280.db2.gz YQXBCMLIIRDJHJ-UHFFFAOYSA-N 0 0 173.215 2.682 10 0 AFAERN Nc1cccc(SCC(F)F)c1 85927708 573210281 /nfs/dbraw/zinc/21/02/81/573210281.db2.gz WMSQUXQTBFYFSO-UHFFFAOYSA-N 0 0 189.230 2.626 10 0 AFAERN Cc1cccc([C@@H](C)C[C@H](C)O)c1 82811693 573210370 /nfs/dbraw/zinc/21/03/70/573210370.db2.gz VSIGXXJSTORRJR-QWRGUYRKSA-N 0 0 178.275 2.869 10 0 AFAERN Cc1ccccc1[C@H](C)C[C@@H](C)O 82812100 573210416 /nfs/dbraw/zinc/21/04/16/573210416.db2.gz BQKOJSSPBNJYRW-GHMZBOCLSA-N 0 0 178.275 2.869 10 0 AFAERN CC(C)c1[nH]c(=O)[nH]c1C(C)(C)C 257971865 573210474 /nfs/dbraw/zinc/21/04/74/573210474.db2.gz YQVOLXZUXBPZKV-UHFFFAOYSA-N 0 0 182.267 2.536 10 0 AFAERN Nc1cccc2c(F)ccc(F)c12 257971527 573210650 /nfs/dbraw/zinc/21/06/50/573210650.db2.gz ILCNXMXMLLJVKF-UHFFFAOYSA-N 0 0 179.169 2.700 10 0 AFAERN CC(=O)c1cnc(CC(C)(C)C)s1 77587713 573210661 /nfs/dbraw/zinc/21/06/61/573210661.db2.gz IBHVLMMPTMUNLE-UHFFFAOYSA-N 0 0 197.303 2.934 10 0 AFAERN CCc1cccc2c1NC(=O)C[C@H]2C 238306740 573210687 /nfs/dbraw/zinc/21/06/87/573210687.db2.gz RSWSQWVLYODFRJ-MRVPVSSYSA-N 0 0 189.258 2.695 10 0 AFAERN CC(C)(O)c1coc2cc(F)ccc12 257971776 573210688 /nfs/dbraw/zinc/21/06/88/573210688.db2.gz ULJGVGKUAWPDRL-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN Clc1ccc(Oc2cnoc2)o1 258252169 573210712 /nfs/dbraw/zinc/21/07/12/573210712.db2.gz APGWDKSUMFGJLR-UHFFFAOYSA-N 0 0 185.566 2.713 10 0 AFAERN Cc1cc2cc(C=O)cc3c2n1CCC3 259374998 573210726 /nfs/dbraw/zinc/21/07/26/573210726.db2.gz JDOCHZYLOPJMJE-UHFFFAOYSA-N 0 0 199.253 2.708 10 0 AFAERN C[C@@H](O)C[C@@H](C)c1ccc(F)cc1 82812210 573210781 /nfs/dbraw/zinc/21/07/81/573210781.db2.gz CNJYWTNRMJCZCD-RKDXNWHRSA-N 0 0 182.238 2.700 10 0 AFAERN C/C=C(/CC)C(=O)O[C@@H]1C=CCC1 308308859 573210898 /nfs/dbraw/zinc/21/08/98/573210898.db2.gz PWURCZPVQUTAKE-KSXVILFYSA-N 0 0 180.247 2.605 10 0 AFAERN C[C@@H](C[C@@H](C)O)C1CCCC1 82811822 573211036 /nfs/dbraw/zinc/21/10/36/573211036.db2.gz PYBSKIZRAVFKDS-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H](O)C[C@@H](C)c1cccc(F)c1 82811509 573211042 /nfs/dbraw/zinc/21/10/42/573211042.db2.gz QCFOZFZFFJZSBM-BDAKNGLRSA-N 0 0 182.238 2.700 10 0 AFAERN CCc1ccc([C@H](C)CO)cc1C 257972706 573211073 /nfs/dbraw/zinc/21/10/73/573211073.db2.gz INLBRYPHXIXAPF-SNVBAGLBSA-N 0 0 178.275 2.653 10 0 AFAERN CC(=O)CC(C)(C)c1ccco1 82816161 573211085 /nfs/dbraw/zinc/21/10/85/573211085.db2.gz SRWRHVZJZLZABY-UHFFFAOYSA-N 0 0 166.220 2.536 10 0 AFAERN C[C@@H](Cc1ccsc1)C[C@@H](C)O 82811714 573211120 /nfs/dbraw/zinc/21/11/20/573211120.db2.gz URVNLMHSMBXTFN-RKDXNWHRSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@]12CCCC[C@H]1CC(=O)C2 238313591 573211123 /nfs/dbraw/zinc/21/11/23/573211123.db2.gz AYNPMKCEGKLFCV-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1ccc([C@@H](C)C[C@H](C)O)cc1 82812219 573211166 /nfs/dbraw/zinc/21/11/66/573211166.db2.gz OPNHPFQSAFEZGG-QWRGUYRKSA-N 0 0 178.275 2.869 10 0 AFAERN CC[C@H]1CCc2[nH]ccc2C1 104709867 573211208 /nfs/dbraw/zinc/21/12/08/573211208.db2.gz MKHNNEAQOCTZJZ-QMMMGPOBSA-N 0 0 149.237 2.530 10 0 AFAERN C[C@H](O)/C=C1/CC(C)(C)C[C@H]1C 235535654 573211229 /nfs/dbraw/zinc/21/12/29/573211229.db2.gz ROBDAFDILUZGSZ-IGAXCRGUSA-N 0 0 168.280 2.750 10 0 AFAERN Cc1ccc(F)cc1/C=C/[C@H](C)O 235536223 573211356 /nfs/dbraw/zinc/21/13/56/573211356.db2.gz VTTAGFXBONKODU-MOVJSRMASA-N 0 0 180.222 2.528 10 0 AFAERN C/C=C\[C@@H](O)c1ccc(C)cc1 219377437 573211405 /nfs/dbraw/zinc/21/14/05/573211405.db2.gz AJYJVEBSQXHHIC-DLRQAJBASA-N 0 0 162.232 2.605 10 0 AFAERN CC[C@]12CCC[C@@H]1CCC(=O)C2 238313803 573211410 /nfs/dbraw/zinc/21/14/10/573211410.db2.gz RIKRHDDUDWVKKT-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1ncccc1NC[C@]1(C)C[C@H]1C 714651084 573213364 /nfs/dbraw/zinc/21/33/64/573213364.db2.gz CVPWCUDMEYZVCQ-SKDRFNHKSA-N 0 0 190.290 2.848 10 0 AFAERN CNc1nc2c(s1)[C@@H](C)C[C@H](C)C2 82829412 573214066 /nfs/dbraw/zinc/21/40/66/573214066.db2.gz BFYGMVPDKGLSSU-BQBZGAKWSA-N 0 0 196.319 2.871 10 0 AFAERN O=C1CC[C@@H](SC2CCCC2)C1 82819885 573214076 /nfs/dbraw/zinc/21/40/76/573214076.db2.gz YGULSSDRVHPIQW-SNVBAGLBSA-N 0 0 184.304 2.784 10 0 AFAERN CCCC[C@@H](O)/C=C/C=C/Cl 238794430 573214097 /nfs/dbraw/zinc/21/40/97/573214097.db2.gz MGPSARNGWISTPV-CXJQTXMHSA-N 0 0 174.671 2.846 10 0 AFAERN C[C@H](O)/C=C1/CC(C)(C)C[C@@H]1C 235535634 573213347 /nfs/dbraw/zinc/21/33/47/573213347.db2.gz ROBDAFDILUZGSZ-KWXWZAANSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@H]1C[C@]1(C)CNc1ccc(O)cc1 714650221 573213418 /nfs/dbraw/zinc/21/34/18/573213418.db2.gz AYUFDPGOLCNXDP-JOYOIKCWSA-N 0 0 191.274 2.850 10 0 AFAERN C/C(=C\c1cc(F)ccc1C)[C@H](C)O 235540027 573213489 /nfs/dbraw/zinc/21/34/89/573213489.db2.gz HKNGFCQGNFDMPM-ZKXNXJMVSA-N 0 0 194.249 2.918 10 0 AFAERN CCN(CC)c1cccc([C@@H](C)O)c1 257970979 573213512 /nfs/dbraw/zinc/21/35/12/573213512.db2.gz CTVCPSGIUKZGRD-SNVBAGLBSA-N 0 0 193.290 2.586 10 0 AFAERN CCc1ccc([C@@H](C)CO)cc1C 257972704 573213539 /nfs/dbraw/zinc/21/35/39/573213539.db2.gz INLBRYPHXIXAPF-JTQLQIEISA-N 0 0 178.275 2.653 10 0 AFAERN Cc1cnnc(NC2(C)CCCC2)c1 235974298 573213544 /nfs/dbraw/zinc/21/35/44/573213544.db2.gz HIOYEVYULQFYLR-UHFFFAOYSA-N 0 0 191.278 2.530 10 0 AFAERN CCCC(C)(C)C[C@@H](C)O 82817100 573213646 /nfs/dbraw/zinc/21/36/46/573213646.db2.gz CJGYHXIOWQZLLN-MRVPVSSYSA-N 0 0 144.258 2.584 10 0 AFAERN CC(C)(CF)c1ccc(C=O)cc1 257971867 573213677 /nfs/dbraw/zinc/21/36/77/573213677.db2.gz YQWNGAJSLICPLK-UHFFFAOYSA-N 0 0 180.222 2.746 10 0 AFAERN CC(C)CS[C@@H]1CCCC(=O)C1 82818353 573213696 /nfs/dbraw/zinc/21/36/96/573213696.db2.gz YPBRIGXUNQOSSQ-SNVBAGLBSA-N 0 0 186.320 2.887 10 0 AFAERN CCc1cc(F)c(F)c([C@@H](C)O)c1 257971042 573213742 /nfs/dbraw/zinc/21/37/42/573213742.db2.gz CVIUPOITVBYSHH-ZCFIWIBFSA-N 0 0 186.201 2.581 10 0 AFAERN CCCS[C@@H]1CCCC(=O)C1 82818383 573213744 /nfs/dbraw/zinc/21/37/44/573213744.db2.gz UXXVFXBGZWDXPG-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN CC(C)S[C@@H]1CCCC(=O)C1 82818432 573213775 /nfs/dbraw/zinc/21/37/75/573213775.db2.gz IIGHLCBKDYUVHD-SECBINFHSA-N 0 0 172.293 2.640 10 0 AFAERN CCOC(=O)NC1C[C@H](C)C[C@@H](C)C1 82828951 573213820 /nfs/dbraw/zinc/21/38/20/573213820.db2.gz LFMUCBCIHSRXBE-RKDXNWHRSA-N 0 0 199.294 2.557 10 0 AFAERN C[C@@H](O)CC(C)(C)c1ccc(F)cc1 82817219 573213828 /nfs/dbraw/zinc/21/38/28/573213828.db2.gz DRVFBWLBJDLNSG-SECBINFHSA-N 0 0 196.265 2.874 10 0 AFAERN O=C1CC[C@H](SC2CCCC2)C1 82819886 573213875 /nfs/dbraw/zinc/21/38/75/573213875.db2.gz YGULSSDRVHPIQW-JTQLQIEISA-N 0 0 184.304 2.784 10 0 AFAERN Cc1ccc(F)c(/C=C/[C@H](C)O)c1 235536142 573213884 /nfs/dbraw/zinc/21/38/84/573213884.db2.gz XTAFLMGSWGSAHM-MOVJSRMASA-N 0 0 180.222 2.528 10 0 AFAERN CC[C@]12CC[C@@]1(C)CCC2=O 238314130 573213933 /nfs/dbraw/zinc/21/39/33/573213933.db2.gz CEIOUPBJHRFWRU-NXEZZACHSA-N 0 0 152.237 2.546 10 0 AFAERN Clc1ncc([C@@H]2CCSC2)o1 258486577 573214015 /nfs/dbraw/zinc/21/40/15/573214015.db2.gz IYKZFGXXDGCLFR-RXMQYKEDSA-N 0 0 189.667 2.549 10 0 AFAERN C[C@H](O)CC(C)(C)C1CCCC1 82817132 573214018 /nfs/dbraw/zinc/21/40/18/573214018.db2.gz ULVGEIJHWOFGPW-VIFPVBQESA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H](O)CC(C)(C)c1cccs1 82817151 573214173 /nfs/dbraw/zinc/21/41/73/573214173.db2.gz WKBKGKFEUKCHMX-MRVPVSSYSA-N 0 0 184.304 2.797 10 0 AFAERN CCCCS[C@H]1CCC(=O)C1 82819813 573214210 /nfs/dbraw/zinc/21/42/10/573214210.db2.gz SRKPZFQNILYHJB-VIFPVBQESA-N 0 0 172.293 2.641 10 0 AFAERN CSCc1nc2c(C)cccc2[nH]1 82821733 573214747 /nfs/dbraw/zinc/21/47/47/573214747.db2.gz BNWBVQAATUUVIS-UHFFFAOYSA-N 0 0 192.287 2.734 10 0 AFAERN Fc1cccc2[nH]c(CC3CC3)nc12 82821858 573215703 /nfs/dbraw/zinc/21/57/03/573215703.db2.gz IMXSKUFPMKMYEV-UHFFFAOYSA-N 0 0 190.221 2.655 10 0 AFAERN CCc1c[nH]c2c(O)ccc(F)c12 238308180 573215772 /nfs/dbraw/zinc/21/57/72/573215772.db2.gz LSEFLZFPUHSXPM-UHFFFAOYSA-N 0 0 179.194 2.575 10 0 AFAERN CCc1c[nH]c2cc(N)c(C)cc12 238308592 573215811 /nfs/dbraw/zinc/21/58/11/573215811.db2.gz HXPJWKSJZSFCAZ-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN CC[C@@H]1CCCC[C@@H](C)C1=O 238307851 573215839 /nfs/dbraw/zinc/21/58/39/573215839.db2.gz HULACEBZWUTYLO-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN CNc1nc2c(s1)[C@H](C)C[C@H](C)C2 82829410 573215851 /nfs/dbraw/zinc/21/58/51/573215851.db2.gz BFYGMVPDKGLSSU-NKWVEPMBSA-N 0 0 196.319 2.871 10 0 AFAERN Clc1ncc([C@H]2CCSC2)o1 258486581 573215857 /nfs/dbraw/zinc/21/58/57/573215857.db2.gz IYKZFGXXDGCLFR-YFKPBYRVSA-N 0 0 189.667 2.549 10 0 AFAERN CC(C)S[C@H]1CCCC(=O)C1 82818433 573215980 /nfs/dbraw/zinc/21/59/80/573215980.db2.gz IIGHLCBKDYUVHD-VIFPVBQESA-N 0 0 172.293 2.640 10 0 AFAERN O=C1CC[C@@H](Sc2cccs2)C1 82819826 573216001 /nfs/dbraw/zinc/21/60/01/573216001.db2.gz PZGRAJLXTBCQTB-MRVPVSSYSA-N 0 0 198.312 2.962 10 0 AFAERN CCCC(C)(C)C[C@H](C)O 82817101 573216009 /nfs/dbraw/zinc/21/60/09/573216009.db2.gz CJGYHXIOWQZLLN-QMMMGPOBSA-N 0 0 144.258 2.584 10 0 AFAERN CCc1c[nH]c2c(N)cc(C)cc12 238308035 573216015 /nfs/dbraw/zinc/21/60/15/573216015.db2.gz OIWYLPIQBVYBID-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN Oc1ccc2nc(Cl)cc(F)c2c1 115759349 573216021 /nfs/dbraw/zinc/21/60/21/573216021.db2.gz CVHPYJCLBNJCCD-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN CCc1c[nH]c2c(O)cc(F)cc12 238308137 573216046 /nfs/dbraw/zinc/21/60/46/573216046.db2.gz LIIXBDGWHLDWMU-UHFFFAOYSA-N 0 0 179.194 2.575 10 0 AFAERN CNc1nc2c(s1)[C@@H](C)C[C@@H](C)C2 82829413 573216126 /nfs/dbraw/zinc/21/61/26/573216126.db2.gz BFYGMVPDKGLSSU-RQJHMYQMSA-N 0 0 196.319 2.871 10 0 AFAERN C[C@@H](O)CC(C)(C)C1CCCC1 82817133 573216262 /nfs/dbraw/zinc/21/62/62/573216262.db2.gz ULVGEIJHWOFGPW-SECBINFHSA-N 0 0 170.296 2.974 10 0 AFAERN CNc1nc2c(s1)[C@H](C)C[C@@H](C)C2 82829411 573216313 /nfs/dbraw/zinc/21/63/13/573216313.db2.gz BFYGMVPDKGLSSU-RNFRBKRXSA-N 0 0 196.319 2.871 10 0 AFAERN Nc1cccc([C@H]2CCCS2)c1 257973036 573216350 /nfs/dbraw/zinc/21/63/50/573216350.db2.gz YTSRBXRSKZNOLY-SNVBAGLBSA-N 0 0 179.288 2.837 10 0 AFAERN CCc1c[nH]c2c(C)c(O)ccc12 238307613 573216381 /nfs/dbraw/zinc/21/63/81/573216381.db2.gz XAVKCLACLUEELP-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN C[C@H]1CCC[C@@]1(O)CCC1CC1 235548684 573216398 /nfs/dbraw/zinc/21/63/98/573216398.db2.gz CIDJMESQQFODIB-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN Nc1cccc([C@@H]2CCCS2)c1 257973034 573216452 /nfs/dbraw/zinc/21/64/52/573216452.db2.gz YTSRBXRSKZNOLY-JTQLQIEISA-N 0 0 179.288 2.837 10 0 AFAERN CC(C)c1cc(F)c(F)c(C=O)c1 257973025 573216542 /nfs/dbraw/zinc/21/65/42/573216542.db2.gz YTPRFMHSLOWWGW-UHFFFAOYSA-N 0 0 184.185 2.901 10 0 AFAERN CCC(C)(C)CCOC(=O)C(F)F 308316487 573216589 /nfs/dbraw/zinc/21/65/89/573216589.db2.gz VWOHDCIQQAEAGK-UHFFFAOYSA-N 0 0 194.221 2.621 10 0 AFAERN Cc1ccc(Cc2cc(C=O)c[nH]2)cc1 82321957 573217936 /nfs/dbraw/zinc/21/79/36/573217936.db2.gz ATFYIVGSOXSEAO-UHFFFAOYSA-N 0 0 199.253 2.726 10 0 AFAERN CC(C)C1(O)C[C@H](C)C[C@@H](C)C1 82831601 573217944 /nfs/dbraw/zinc/21/79/44/573217944.db2.gz RRSKNKAUVRYJJH-NXEZZACHSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)c1nc2c(Cl)cccn2n1 257976087 573218663 /nfs/dbraw/zinc/21/86/63/573218663.db2.gz NGIXFLKZRPJXGR-UHFFFAOYSA-N 0 0 195.653 2.506 10 0 AFAERN CCc1c[nH]c2c(F)cc(OC)cc12 238307962 573217619 /nfs/dbraw/zinc/21/76/19/573217619.db2.gz HDISJTHGXPVZCU-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN O=Cc1c[nH]c(CC2CCCC2)c1 82321953 573217740 /nfs/dbraw/zinc/21/77/40/573217740.db2.gz UILYSKWMQOXRCK-UHFFFAOYSA-N 0 0 177.247 2.560 10 0 AFAERN O=C1C[C@@H]2CCC=CCC[C@@H]2C1 238630485 573217767 /nfs/dbraw/zinc/21/77/67/573217767.db2.gz PLKCFGVJRKAPIB-AOOOYVTPSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@@]1(C)C(=O)CCC[C@H]1C 238308508 573217774 /nfs/dbraw/zinc/21/77/74/573217774.db2.gz IUCOSMIOBRUWJG-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN CCc1c[nH]c2c(O)cc(C)cc12 238308122 573218848 /nfs/dbraw/zinc/21/88/48/573218848.db2.gz KCPFHJQDXMCJOG-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN C[C@H]1CC([C@H](O)C2CC2)C[C@H](C)C1 82833098 573218625 /nfs/dbraw/zinc/21/86/25/573218625.db2.gz VFVYWWGQZMMCGJ-KBVBSXBZSA-N 0 0 182.307 2.830 10 0 AFAERN C[C@H]1Cc2nc(C=O)sc2[C@H](C)C1 82831800 573218641 /nfs/dbraw/zinc/21/86/41/573218641.db2.gz UYBKYIGNQHVXTK-RNFRBKRXSA-N 0 0 195.287 2.641 10 0 AFAERN CCc1c[nH]c2c(C)ccc(O)c12 238307775 573218730 /nfs/dbraw/zinc/21/87/30/573218730.db2.gz DLVHQTTVOOYKOH-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN C[C@H]1CC(n2ccnc2)C[C@H](C)C1 82833885 573218731 /nfs/dbraw/zinc/21/87/31/573218731.db2.gz NITHGEAWJLYTPZ-NXEZZACHSA-N 0 0 178.279 2.880 10 0 AFAERN COc1ccc2[nH]c(C)nc2c1Cl 115749136 573218750 /nfs/dbraw/zinc/21/87/50/573218750.db2.gz AAUJJLCCEBVPSJ-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN Cc1cc(SCC(C)C)ncc1N 86003651 573218768 /nfs/dbraw/zinc/21/87/68/573218768.db2.gz ZUXFCHDFQNEARV-UHFFFAOYSA-N 0 0 196.319 2.720 10 0 AFAERN CCc1cc(F)c2sncc2c1 238308955 573218786 /nfs/dbraw/zinc/21/87/86/573218786.db2.gz LTOFMJGTKDFILI-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN Cc1ccnn1C/C(Cl)=C/Cl 86001532 573218827 /nfs/dbraw/zinc/21/88/27/573218827.db2.gz YBFCSXOZCZUIPK-DAXSKMNVSA-N 0 0 191.061 2.511 10 0 AFAERN CCc1cc(Cl)c2cncn2c1 238308329 573219452 /nfs/dbraw/zinc/21/94/52/573219452.db2.gz BZLZROAVFRWYCF-UHFFFAOYSA-N 0 0 180.638 2.550 10 0 AFAERN C[C@@H]1CC(n2ccnc2)C[C@@H](C)C1 82833884 573219454 /nfs/dbraw/zinc/21/94/54/573219454.db2.gz NITHGEAWJLYTPZ-UWVGGRQHSA-N 0 0 178.279 2.880 10 0 AFAERN CC(=O)c1cccc(OC2CCC2)c1 85976329 573219456 /nfs/dbraw/zinc/21/94/56/573219456.db2.gz JWUFTEJQIQLBQM-UHFFFAOYSA-N 0 0 190.242 2.821 10 0 AFAERN C[C@@H]1Cc2nc(C=O)sc2[C@@H](C)C1 82831801 573219461 /nfs/dbraw/zinc/21/94/61/573219461.db2.gz UYBKYIGNQHVXTK-BQBZGAKWSA-N 0 0 195.287 2.641 10 0 AFAERN CCc1c[nH]c2c(O)c(F)ccc12 238308097 573219483 /nfs/dbraw/zinc/21/94/83/573219483.db2.gz MVLIBSWMOGSEEK-UHFFFAOYSA-N 0 0 179.194 2.575 10 0 AFAERN C[C@H]1CC(n2cccn2)C[C@H](C)C1 82833879 573219486 /nfs/dbraw/zinc/21/94/86/573219486.db2.gz RBGAICDLLMSHBX-NXEZZACHSA-N 0 0 178.279 2.880 10 0 AFAERN CCc1cc(F)c2oncc2c1 238308921 573219495 /nfs/dbraw/zinc/21/94/95/573219495.db2.gz UMNWZLLMEAQALI-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN C[C@H]1CC(C(C)(C)O)C[C@H](C)C1 82832992 573219504 /nfs/dbraw/zinc/21/95/04/573219504.db2.gz FBHUFRVYXCXHLB-RKDXNWHRSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CC(n2cccn2)C[C@@H](C)C1 82833878 573219548 /nfs/dbraw/zinc/21/95/48/573219548.db2.gz RBGAICDLLMSHBX-UWVGGRQHSA-N 0 0 178.279 2.880 10 0 AFAERN CCc1c[nH]c2ccc(O)c(C)c12 238308774 573219590 /nfs/dbraw/zinc/21/95/90/573219590.db2.gz PDDMYKPWPGDJCX-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN Cc1cnnc(N[C@@H](C)C(C)(C)C)c1 235545064 573219632 /nfs/dbraw/zinc/21/96/32/573219632.db2.gz QDMXJBWLTOTPHM-VIFPVBQESA-N 0 0 193.294 2.632 10 0 AFAERN CCc1c[nH]c2c(C)cc(N)cc12 238307706 573219743 /nfs/dbraw/zinc/21/97/43/573219743.db2.gz UKQBLNYHFVOCKK-UHFFFAOYSA-N 0 0 174.247 2.621 10 0 AFAERN C[C@H]1CC(Nc2cn[nH]c2)C[C@H](C)C1 82829770 573219808 /nfs/dbraw/zinc/21/98/08/573219808.db2.gz FBYLZWPHIYDWOQ-RKDXNWHRSA-N 0 0 193.294 2.646 10 0 AFAERN CC[C@H](O)CSc1ccsc1 238308278 573219869 /nfs/dbraw/zinc/21/98/69/573219869.db2.gz YHKLPUDWNUDYCT-ZETCQYMHSA-N 0 0 188.317 2.611 10 0 AFAERN CCc1c[nH]c2c(O)ccc(C)c12 238308168 573219910 /nfs/dbraw/zinc/21/99/10/573219910.db2.gz QAEVOGRZVVMMGM-UHFFFAOYSA-N 0 0 175.231 2.744 10 0 AFAERN C[C@@H]1C[C@@H](C)CC2(CC(=O)CCO2)C1 82832319 573219937 /nfs/dbraw/zinc/21/99/37/573219937.db2.gz BTNOIOAETIEJDO-NXEZZACHSA-N 0 0 196.290 2.561 10 0 AFAERN Cc1cc(N(C)C)c(C)c(Cl)c1N 238308361 573219951 /nfs/dbraw/zinc/21/99/51/573219951.db2.gz SMHYUXXYKNCYDE-UHFFFAOYSA-N 0 0 198.697 2.605 10 0 AFAERN CCc1cccc2oc(CO)c(C)c12 238308375 573219959 /nfs/dbraw/zinc/21/99/59/573219959.db2.gz NNSXHJGJQZYIQT-UHFFFAOYSA-N 0 0 190.242 2.796 10 0 AFAERN Cc1cc(Cl)c(C)c(C=O)c1F 257975093 573220005 /nfs/dbraw/zinc/22/00/05/573220005.db2.gz DHNPECQUHWAPOO-UHFFFAOYSA-N 0 0 186.613 2.908 10 0 AFAERN CCNc1n[nH]c2c1[C@H](C)C[C@H](C)C2 82831841 573220051 /nfs/dbraw/zinc/22/00/51/573220051.db2.gz YLCUUKQQHBEIQF-JGVFFNPUSA-N 0 0 193.294 2.527 10 0 AFAERN CCc1c[nH]c2c(OC)ccc(F)c12 238308301 573220057 /nfs/dbraw/zinc/22/00/57/573220057.db2.gz FKCNLBROODIYTH-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN C/C(=C/C=C\c1ccccc1)CO 211912029 573220060 /nfs/dbraw/zinc/22/00/60/573220060.db2.gz FEGUPOQVEDAZMG-WFMPKDELSA-N 0 0 174.243 2.638 10 0 AFAERN CCc1c[nH]c2cccc(OC)c12 238308897 573220080 /nfs/dbraw/zinc/22/00/80/573220080.db2.gz NDLJVFLWWMLBIO-UHFFFAOYSA-N 0 0 175.231 2.739 10 0 AFAERN C[C@@H]1Cc2nc(C=O)sc2[C@H](C)C1 82831799 573220192 /nfs/dbraw/zinc/22/01/92/573220192.db2.gz UYBKYIGNQHVXTK-NKWVEPMBSA-N 0 0 195.287 2.641 10 0 AFAERN CCn1cnc(C(=O)C(C)(C)CC)c1 308519014 573220233 /nfs/dbraw/zinc/22/02/33/573220233.db2.gz GTBLMZVVTAGABY-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN C[C@H]1C[C@H](C)CC(N)(C(F)(F)F)C1 82832254 573220286 /nfs/dbraw/zinc/22/02/86/573220286.db2.gz YEQJCFWLOOASKJ-BQBZGAKWSA-N 0 0 195.228 2.702 10 0 AFAERN CSCCc1ncc(C(C)(C)C)o1 308317898 573220330 /nfs/dbraw/zinc/22/03/30/573220330.db2.gz YHODPGAGHDFEBO-UHFFFAOYSA-N 0 0 199.319 2.878 10 0 AFAERN CCC(C)(C)Oc1ccc(O)cc1 115858515 573220382 /nfs/dbraw/zinc/22/03/82/573220382.db2.gz PWZNDQJIZOZTMG-UHFFFAOYSA-N 0 0 180.247 2.960 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@H]1Nc1cn[nH]c1 235549353 573220413 /nfs/dbraw/zinc/22/04/13/573220413.db2.gz WKOLCRKHLBQMAX-WPRPVWTQSA-N 0 0 193.294 2.646 10 0 AFAERN CCn1cnc(C(=O)CC(C)(C)C)c1 308518500 573220470 /nfs/dbraw/zinc/22/04/70/573220470.db2.gz GMPLIXDBVSXIAM-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CCc1nc2c(Cl)nc(C)cc2o1 238309316 573220500 /nfs/dbraw/zinc/22/05/00/573220500.db2.gz DLJNMSAADMJWHS-UHFFFAOYSA-N 0 0 196.637 2.747 10 0 AFAERN Cc1cc2c([C@H](C)CO)cccc2o1 257975074 573221562 /nfs/dbraw/zinc/22/15/62/573221562.db2.gz DGYDLBBMOXXXDT-MRVPVSSYSA-N 0 0 190.242 2.837 10 0 AFAERN CC[C@H](C)C[C@H](CC)N1CC(F)C1 308318034 573221118 /nfs/dbraw/zinc/22/11/18/573221118.db2.gz WUQKAYNQPUVJAX-ONGXEEELSA-N 0 0 187.302 2.855 10 0 AFAERN C[C@@H]1C[C@@H](C)CC(O)(c2ccoc2)C1 82831555 573221173 /nfs/dbraw/zinc/22/11/73/573221173.db2.gz WDXBVNZQOWMNID-NXEZZACHSA-N 0 0 194.274 2.923 10 0 AFAERN CCNc1n[nH]c2c1[C@@H](C)C[C@@H](C)C2 82831838 573221226 /nfs/dbraw/zinc/22/12/26/573221226.db2.gz YLCUUKQQHBEIQF-SFYZADRCSA-N 0 0 193.294 2.527 10 0 AFAERN CCC(C)(C)Oc1cc(C)c(N)cn1 86003414 573221269 /nfs/dbraw/zinc/22/12/69/573221269.db2.gz XTCFOGIPJGQUSP-UHFFFAOYSA-N 0 0 194.278 2.540 10 0 AFAERN CCCCCC(=O)OC[C@@H](F)CC 308318344 573221279 /nfs/dbraw/zinc/22/12/79/573221279.db2.gz XAEVBBHVBRUXRH-VIFPVBQESA-N 0 0 190.258 2.858 10 0 AFAERN CCc1cc(C)cc2cnoc12 238320562 573221334 /nfs/dbraw/zinc/22/13/34/573221334.db2.gz WYRLRNKKJONKTR-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCCn1cccc1/C=C(\CC)CO 211917582 573221387 /nfs/dbraw/zinc/22/13/87/573221387.db2.gz RPVGZHQSMGSCAT-PKNBQFBNSA-N 0 0 193.290 2.684 10 0 AFAERN CC[C@@H](C)C[C@@H](CC)N1CC(F)C1 308318033 573221396 /nfs/dbraw/zinc/22/13/96/573221396.db2.gz WUQKAYNQPUVJAX-MWLCHTKSSA-N 0 0 187.302 2.855 10 0 AFAERN CC(C)Cc1[nH]c(=O)oc1C(C)C 257974635 573221404 /nfs/dbraw/zinc/22/14/04/573221404.db2.gz YZQKSCBVNBEKNU-UHFFFAOYSA-N 0 0 183.251 2.702 10 0 AFAERN CC[C@H]1C[C@@H](C)Nc2cc(N)ccc21 238320507 573221410 /nfs/dbraw/zinc/22/14/10/573221410.db2.gz MJXZNHKIWHCZOV-BDAKNGLRSA-N 0 0 190.290 2.967 10 0 AFAERN C[C@H]1C[C@H](C)CC(O)(C(F)(F)F)C1 82831980 573221457 /nfs/dbraw/zinc/22/14/57/573221457.db2.gz OGRIYPKUWFZDPQ-BQBZGAKWSA-N 0 0 196.212 2.736 10 0 AFAERN Cl/C=C(/Cl)Cn1cccc1 86001517 573221471 /nfs/dbraw/zinc/22/14/71/573221471.db2.gz VZOOYFKSSTVKLY-FNORWQNLSA-N 0 0 176.046 2.807 10 0 AFAERN CC[C@@H]1CCCCC[C@@H]1CO 226093817 573221669 /nfs/dbraw/zinc/22/16/69/573221669.db2.gz SEIDKICQJZJJKM-NXEZZACHSA-N 0 0 156.269 2.585 10 0 AFAERN CCC(C)(C)C(=O)O[C@H]1C=CCC1 308318038 573221761 /nfs/dbraw/zinc/22/17/61/573221761.db2.gz WUXVKQPZHYSZQE-VIFPVBQESA-N 0 0 182.263 2.684 10 0 AFAERN CCc1c[nH]nc1Nc1ccccc1 238309068 573221772 /nfs/dbraw/zinc/22/17/72/573221772.db2.gz IXJMSDLMSCHCPJ-UHFFFAOYSA-N 0 0 187.246 2.716 10 0 AFAERN Clc1n[nH]cc1Oc1ccccc1 258592774 573221989 /nfs/dbraw/zinc/22/19/89/573221989.db2.gz QJXGJGJVGUZDQA-UHFFFAOYSA-N 0 0 194.621 2.855 10 0 AFAERN CC[C@@H](C[C@H](C)CC)N1CC(F)C1 308318032 573221995 /nfs/dbraw/zinc/22/19/95/573221995.db2.gz WUQKAYNQPUVJAX-KOLCDFICSA-N 0 0 187.302 2.855 10 0 AFAERN CCNc1n[nH]c2c1[C@@H](C)C[C@H](C)C2 82831839 573222042 /nfs/dbraw/zinc/22/20/42/573222042.db2.gz YLCUUKQQHBEIQF-YUMQZZPRSA-N 0 0 193.294 2.527 10 0 AFAERN CC[C@@H](C)N(CC(F)(F)F)C1CC1 308317450 573222120 /nfs/dbraw/zinc/22/21/20/573222120.db2.gz WMIWUMMSBYICOZ-SSDOTTSWSA-N 0 0 195.228 2.812 10 0 AFAERN CC[C@H](C)CC(=O)OC1(C)CCC1 308319308 573222176 /nfs/dbraw/zinc/22/21/76/573222176.db2.gz XKQAJSQELSSFLD-VIFPVBQESA-N 0 0 184.279 2.908 10 0 AFAERN CCC[C@](C)(CO)Cc1ccoc1 132130586 573223312 /nfs/dbraw/zinc/22/33/12/573223312.db2.gz ZSTOLLMISTXCQB-NSHDSACASA-N 0 0 182.263 2.621 10 0 AFAERN CC(C)Cc1csc(Cl)n1 259382864 573223450 /nfs/dbraw/zinc/22/34/50/573223450.db2.gz UHCGDGBFNMTZRU-UHFFFAOYSA-N 0 0 175.684 2.995 10 0 AFAERN CCC(F)(F)c1cccc(CO)c1 259381101 573223483 /nfs/dbraw/zinc/22/34/83/573223483.db2.gz GUPGWTQPTURPFV-UHFFFAOYSA-N 0 0 186.201 2.681 10 0 AFAERN CCC(C)(C)C(=O)O[C@@H]1C=CCC1 308318037 573223486 /nfs/dbraw/zinc/22/34/86/573223486.db2.gz WUXVKQPZHYSZQE-SECBINFHSA-N 0 0 182.263 2.684 10 0 AFAERN Cc1ccsc1[C@H](CO)C(C)C 259384515 573223540 /nfs/dbraw/zinc/22/35/40/573223540.db2.gz VZQWNXBUFMOABH-SECBINFHSA-N 0 0 184.304 2.788 10 0 AFAERN CC[C@@H]1CCC(=O)[C@@H](C)CC1 238309100 573223593 /nfs/dbraw/zinc/22/35/93/573223593.db2.gz HFXKPCNUWYTALL-IUCAKERBSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@]1(CC(C)C)CCCCC(=O)N1 238309142 573223628 /nfs/dbraw/zinc/22/36/28/573223628.db2.gz BSNMBAMQZIEPMY-GFCCVEGCSA-N 0 0 197.322 2.872 10 0 AFAERN c1ccc2c(-c3ncc[nH]3)c[nH]c2c1 115864369 573223689 /nfs/dbraw/zinc/22/36/89/573223689.db2.gz DHILCDYJTLATRY-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN CCc1cc(CC(C)=O)c(C)cc1F 257974966 573223716 /nfs/dbraw/zinc/22/37/16/573223716.db2.gz DEZOSAWCDWHZAN-UHFFFAOYSA-N 0 0 194.249 2.828 10 0 AFAERN CC(=O)[C@H](C)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 82841022 573224452 /nfs/dbraw/zinc/22/44/52/573224452.db2.gz APLKEOBEXVJKIZ-LLHIFLOGSA-N 0 0 198.306 2.805 10 0 AFAERN CCC(CC)(CO)Cc1ccoc1 132131629 573224518 /nfs/dbraw/zinc/22/45/18/573224518.db2.gz YQCHVDWDYIFALS-UHFFFAOYSA-N 0 0 182.263 2.621 10 0 AFAERN C/C(=C/c1ccnc2ccccc12)CO 211911423 573224593 /nfs/dbraw/zinc/22/45/93/573224593.db2.gz GITUQUOBQNEDGY-NTMALXAHSA-N 0 0 199.253 2.630 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)c1cccs1 308312240 573226639 /nfs/dbraw/zinc/22/66/39/573226639.db2.gz SDPNZJJQWJXFNG-HTQZYQBOSA-N 0 0 196.271 2.561 10 0 AFAERN C[C@H]1C[C@@]2(CC[C@H]1C)CC(=O)CCO2 82839445 573226667 /nfs/dbraw/zinc/22/66/67/573226667.db2.gz MVDUYQAZLDJMAQ-SCVCMEIPSA-N 0 0 196.290 2.561 10 0 AFAERN OCc1cccc([C@H]2CC[C@H]2CF)c1 259603872 573226300 /nfs/dbraw/zinc/22/63/00/573226300.db2.gz DHEDWJIVZGNVJS-NWDGAFQWSA-N 0 0 194.249 2.642 10 0 AFAERN CC(C)CCn1nccc1NC(C)C 308520547 573226343 /nfs/dbraw/zinc/22/63/43/573226343.db2.gz OMLOLXCJOUEEDC-UHFFFAOYSA-N 0 0 195.310 2.750 10 0 AFAERN CCC[C@H](C)n1cc(C(=O)CC)cn1 233343192 573226390 /nfs/dbraw/zinc/22/63/90/573226390.db2.gz APWLYCPJENJRJP-VIFPVBQESA-N 0 0 194.278 2.837 10 0 AFAERN CC[C@@H](C)CC(=O)OCC[C@H](C)F 308312015 573226411 /nfs/dbraw/zinc/22/64/11/573226411.db2.gz RYNNZWRQHFHQQH-BDAKNGLRSA-N 0 0 190.258 2.714 10 0 AFAERN COC(=O)N[C@]1(C)CC[C@H](C(C)C)C1 238322284 573227550 /nfs/dbraw/zinc/22/75/50/573227550.db2.gz XNXUFIVUKGXKLV-GXSJLCMTSA-N 0 0 199.294 2.557 10 0 AFAERN Cc1ccc(CF)c(Cl)n1 258599760 573227208 /nfs/dbraw/zinc/22/72/08/573227208.db2.gz UVEDECGUWPEWQM-UHFFFAOYSA-N 0 0 159.591 2.513 10 0 AFAERN CC[C@H]1C[C@@H]1c1cscc1N 238321354 573227271 /nfs/dbraw/zinc/22/72/71/573227271.db2.gz LUUNSNYJFIRDTB-BQBZGAKWSA-N 0 0 167.277 2.844 10 0 AFAERN COc1sc(CC(C)C)nc1C 259386290 573227292 /nfs/dbraw/zinc/22/72/92/573227292.db2.gz SFAUTELALNAXNM-UHFFFAOYSA-N 0 0 185.292 2.659 10 0 AFAERN CCC[C@H](C)OCCCC(=O)CC 233342871 573227311 /nfs/dbraw/zinc/22/73/11/573227311.db2.gz TWBDCBLXIJDIFM-JTQLQIEISA-N 0 0 186.295 2.951 10 0 AFAERN C[C@H]1C[C@](O)(c2ccoc2)CC[C@H]1C 82838604 573227314 /nfs/dbraw/zinc/22/73/14/573227314.db2.gz CYTSVWGEPXMAFZ-SCVCMEIPSA-N 0 0 194.274 2.923 10 0 AFAERN O[C@H]1CCC=C1c1cc(F)ccc1F 115897146 573227416 /nfs/dbraw/zinc/22/74/16/573227416.db2.gz PKNBDORLQMDGFS-NSHDSACASA-N 0 0 196.196 2.503 10 0 AFAERN C[C@H]1C[C@H](Nc2cn[nH]c2)CC[C@H]1C 82836358 573227442 /nfs/dbraw/zinc/22/74/42/573227442.db2.gz OTKMMZUNVDXQAX-KXUCPTDWSA-N 0 0 193.294 2.646 10 0 AFAERN C=CC1=CCC[C@@H](Cc2c[nH]cn2)C1 115897105 573228141 /nfs/dbraw/zinc/22/81/41/573228141.db2.gz FXFHMVHYSHJDJN-LLVKDONJSA-N 0 0 188.274 2.865 10 0 AFAERN CC[C@H](C)CC(=O)OCC[C@@H](C)F 308312016 573228203 /nfs/dbraw/zinc/22/82/03/573228203.db2.gz RYNNZWRQHFHQQH-DTWKUNHWSA-N 0 0 190.258 2.714 10 0 AFAERN Cc1cc2c(cc1F)NCC1(CC1)N2 235994787 573228271 /nfs/dbraw/zinc/22/82/71/573228271.db2.gz HRABUXCHILUGIG-UHFFFAOYSA-N 0 0 192.237 2.504 10 0 AFAERN CCc1cc(CC)c(O)c(C(C)=O)c1 238322345 573228350 /nfs/dbraw/zinc/22/83/50/573228350.db2.gz VSJDZQVWFLVGLO-UHFFFAOYSA-N 0 0 192.258 2.720 10 0 AFAERN Cc1ccc(N)c(C(=O)C2CCC2)c1 115911444 573228414 /nfs/dbraw/zinc/22/84/14/573228414.db2.gz NCXLDSAWHBAVOJ-UHFFFAOYSA-N 0 0 189.258 2.560 10 0 AFAERN CC(C)(C)Cc1c[nH]c(Cl)n1 258599616 573228447 /nfs/dbraw/zinc/22/84/47/573228447.db2.gz SLGNMSDKRQXAMK-UHFFFAOYSA-N 0 0 172.659 2.652 10 0 AFAERN COC(=O)c1c(C)ccc2occc12 238321441 573229248 /nfs/dbraw/zinc/22/92/48/573229248.db2.gz IRLFLAWQNGABMV-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN Cc1cocc1C(C)(C)C 104835963 573229258 /nfs/dbraw/zinc/22/92/58/573229258.db2.gz QYIJPVMXZXUMCR-UHFFFAOYSA-N 0 0 138.210 2.886 10 0 AFAERN CC[C@H]1C[C@@H]1c1ccc(O)cc1 238321281 573229261 /nfs/dbraw/zinc/22/92/61/573229261.db2.gz BAIFBLYFSKIDJK-KWQFWETISA-N 0 0 162.232 2.906 10 0 AFAERN CCC1CCC([C@H](C)O)CC1 82848993 573229235 /nfs/dbraw/zinc/22/92/35/573229235.db2.gz NNQGUORFVLRFAY-IDKOKCKLSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)=C[C@@]1(O)CCC[C@H](C)C1 86017951 573230567 /nfs/dbraw/zinc/23/05/67/573230567.db2.gz JBMJUCFPHNINTP-QWRGUYRKSA-N 0 0 168.280 2.894 10 0 AFAERN CC(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1 82843167 573230684 /nfs/dbraw/zinc/23/06/84/573230684.db2.gz SCAOCHRMIQUIAJ-WEDXCCLWSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(C)(C)COC(=O)[C@@H]1C[C@@H]1C 308312852 573230685 /nfs/dbraw/zinc/23/06/85/573230685.db2.gz SNUPSCHAFSSESZ-DTWKUNHWSA-N 0 0 184.279 2.622 10 0 AFAERN CCOC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 82848179 573230706 /nfs/dbraw/zinc/23/07/06/573230706.db2.gz AYTYUMGDXCRNMC-IVZWLZJFSA-N 0 0 199.294 2.557 10 0 AFAERN C[C@H]1C[C@@]1(C)OC(=O)CC(C)(C)C 308314120 573230573 /nfs/dbraw/zinc/23/05/73/573230573.db2.gz UFTALOBWSYTEEB-GZMMTYOYSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)=C[C@@H](O)c1ccc(F)cc1 86019301 573231922 /nfs/dbraw/zinc/23/19/22/573231922.db2.gz UYOQIYGVKVDOFL-LLVKDONJSA-N 0 0 180.222 2.825 10 0 AFAERN COC(=O)c1c(C)ccc2ccoc12 238321191 573230651 /nfs/dbraw/zinc/23/06/51/573230651.db2.gz JMDSUJGJXYFMMC-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN Cc1ccccc1OCc1cocn1 257976333 573230595 /nfs/dbraw/zinc/23/05/95/573230595.db2.gz AKAIDWYKVRMQEA-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN C[C@H]1C[C@]1(C)OC(=O)CC(C)(C)C 308314124 573230597 /nfs/dbraw/zinc/23/05/97/573230597.db2.gz UFTALOBWSYTEEB-KWQFWETISA-N 0 0 184.279 2.764 10 0 AFAERN C/C=C(/CC)C(=O)O[C@]1(C)C[C@@H]1C 308319646 573230611 /nfs/dbraw/zinc/23/06/11/573230611.db2.gz XTBZEUPSZIEBHW-HSXXHLCNSA-N 0 0 182.263 2.684 10 0 AFAERN C[C@@H]1C[C@]1(C)OC(=O)CC(C)(C)C 308314122 573230719 /nfs/dbraw/zinc/23/07/19/573230719.db2.gz UFTALOBWSYTEEB-KCJUWKMLSA-N 0 0 184.279 2.764 10 0 AFAERN CC(C)=C[C@]1(O)CCCC[C@@H]1C 86018051 573230728 /nfs/dbraw/zinc/23/07/28/573230728.db2.gz MAZFMJHXXAHLKO-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN COc1cccc([C@@H](O)C=C(C)C)c1 86018840 573230752 /nfs/dbraw/zinc/23/07/52/573230752.db2.gz JLOQQNABWDCBQG-LBPRGKRZSA-N 0 0 192.258 2.695 10 0 AFAERN CC(C)=C[C@]1(O)CCCC[C@H]1C 86018048 573230800 /nfs/dbraw/zinc/23/08/00/573230800.db2.gz MAZFMJHXXAHLKO-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CCc1ccc([C@@H](O)C=C(C)C)o1 86019899 573230782 /nfs/dbraw/zinc/23/07/82/573230782.db2.gz OXKUDZUXGGMPBF-JTQLQIEISA-N 0 0 180.247 2.842 10 0 AFAERN C[C@H]1C[C@@H](C(C)(C)O)CC[C@H]1C 82842475 573230854 /nfs/dbraw/zinc/23/08/54/573230854.db2.gz CKKAAGQLTISGDO-UTLUCORTSA-N 0 0 170.296 2.830 10 0 AFAERN C=CO[C@H]1CCC=C1Br 115902989 573230867 /nfs/dbraw/zinc/23/08/67/573230867.db2.gz SVYLWDRRTDLTGJ-ZETCQYMHSA-N 0 0 189.052 2.588 10 0 AFAERN CCCC1([C@H](CCC2CC2)NN)CC1 308524682 573230901 /nfs/dbraw/zinc/23/09/01/573230901.db2.gz INWFJGPOIGDTEX-NSHDSACASA-N 0 0 196.338 2.589 10 0 AFAERN CC(C)Nc1ccc(C2CCC2)nn1 259385683 573230903 /nfs/dbraw/zinc/23/09/03/573230903.db2.gz UKVRSKUYDSVSBB-UHFFFAOYSA-N 0 0 191.278 2.564 10 0 AFAERN CC1(C)COc2cccc(Cl)c2N1 259383281 573230910 /nfs/dbraw/zinc/23/09/10/573230910.db2.gz WFSZPOQWASXRBR-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN CCC[C@@H]1C[C@@](O)(C=C(C)C)CCO1 86020483 573230937 /nfs/dbraw/zinc/23/09/37/573230937.db2.gz UOKLKQUIMBPWLO-NEPJUHHUSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)=C[C@H](O)c1cc(F)ccc1F 86019941 573230979 /nfs/dbraw/zinc/23/09/79/573230979.db2.gz LHDLBORXXGHMFV-NSHDSACASA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=C[C@@H](O)c1ccc(C)cc1 86019464 573230985 /nfs/dbraw/zinc/23/09/85/573230985.db2.gz OSMYFIGETWASKR-GFCCVEGCSA-N 0 0 176.259 2.995 10 0 AFAERN CC[C@@]1(C)C[C@@](O)(C=C(C)C)CCO1 86020594 573231038 /nfs/dbraw/zinc/23/10/38/573231038.db2.gz VTBNRIRDXPFVHS-RYUDHWBXSA-N 0 0 198.306 2.663 10 0 AFAERN CNC(=O)c1ccc2cc(C)ccc2c1 259385096 573231068 /nfs/dbraw/zinc/23/10/68/573231068.db2.gz XVVQFWVMNCWJRA-UHFFFAOYSA-N 0 0 199.253 2.508 10 0 AFAERN C/C=C/COC(=O)/C=C\C(C)(C)C 308313467 573231138 /nfs/dbraw/zinc/23/11/38/573231138.db2.gz SXJOLWPJQBGJPD-MDAAKZFYSA-N 0 0 182.263 2.708 10 0 AFAERN CC(C)=C[C@@H](O)c1cccc(F)c1 86019420 573231230 /nfs/dbraw/zinc/23/12/30/573231230.db2.gz VCXCJDYZNPUJQH-LLVKDONJSA-N 0 0 180.222 2.825 10 0 AFAERN CC(C)=C[C@H](O)[C@@H]1CC=CCC1 86020215 573231236 /nfs/dbraw/zinc/23/12/36/573231236.db2.gz MPVYYUUSOWAEIF-MNOVXSKESA-N 0 0 166.264 2.670 10 0 AFAERN CC(C)=C[C@H](O)c1c(F)cccc1F 86019492 573231243 /nfs/dbraw/zinc/23/12/43/573231243.db2.gz JSRVWLDDYHHHRT-JTQLQIEISA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=C[C@@H](O)C1CCCCC1 86019602 573231335 /nfs/dbraw/zinc/23/13/35/573231335.db2.gz GKALVKQEJNTVIK-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)=C[C@@H](O)c1ccccc1F 86019404 573231351 /nfs/dbraw/zinc/23/13/51/573231351.db2.gz RTHPNMXAQPPCKC-LLVKDONJSA-N 0 0 180.222 2.825 10 0 AFAERN C[C@H]1CC[C@H](CCCO)C[C@@H]1C 82845477 573231370 /nfs/dbraw/zinc/23/13/70/573231370.db2.gz VHEVMUXEXIABJG-DCAQKATOSA-N 0 0 170.296 2.831 10 0 AFAERN OCc1cccc([C@H]2CC[C@@H]2CF)c1 259603926 573231420 /nfs/dbraw/zinc/23/14/20/573231420.db2.gz DHEDWJIVZGNVJS-VXGBXAGGSA-N 0 0 194.249 2.642 10 0 AFAERN CCC[C@@H](C)[C@H](O)C=C(C)C 86020309 573231393 /nfs/dbraw/zinc/23/13/93/573231393.db2.gz VAEWBFHTBLKTTM-NXEZZACHSA-N 0 0 156.269 2.750 10 0 AFAERN C[C@H]1C[C@@H](n2ccnc2)CC[C@H]1C 82844863 573231396 /nfs/dbraw/zinc/23/13/96/573231396.db2.gz PCQMJCZZHHJVOB-VWYCJHECSA-N 0 0 178.279 2.880 10 0 AFAERN CC[C@H](O)C1CCCCCC1 82845622 573231407 /nfs/dbraw/zinc/23/14/07/573231407.db2.gz ORMDVOSGLPYOOW-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CC1=C[C@@H](Cc2c[nH]c(=S)[nH]2)CC1 115902304 573231426 /nfs/dbraw/zinc/23/14/26/573231426.db2.gz VDERHMOKWVJRGR-QMMMGPOBSA-N 0 0 194.303 2.971 10 0 AFAERN C[C@H]1C[C@@H](CCCO)CC[C@H]1C 82845475 573231456 /nfs/dbraw/zinc/23/14/56/573231456.db2.gz VHEVMUXEXIABJG-VWYCJHECSA-N 0 0 170.296 2.831 10 0 AFAERN COCc1c(C(C)C)ccc(C)c1O 238322730 573231460 /nfs/dbraw/zinc/23/14/60/573231460.db2.gz DONBHOZOFSCTFR-UHFFFAOYSA-N 0 0 194.274 2.970 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1Nc1ccccn1 716610533 573231466 /nfs/dbraw/zinc/23/14/66/573231466.db2.gz HFTNPLQJTDMYOT-YTWAJWBKSA-N 0 0 188.274 2.538 10 0 AFAERN CCc1cc(CC)cc([C@H](C)O)c1 238322832 573231493 /nfs/dbraw/zinc/23/14/93/573231493.db2.gz LQAUAXGADFSUAU-VIFPVBQESA-N 0 0 178.275 2.865 10 0 AFAERN C[C@@H]1C[C@@]1(C)OC(=O)CC(C)(C)C 308314125 573231548 /nfs/dbraw/zinc/23/15/48/573231548.db2.gz UFTALOBWSYTEEB-LDYMZIIASA-N 0 0 184.279 2.764 10 0 AFAERN C[C@H]1C[C@H](C(C)(C)O)CC[C@H]1C 82842479 573231558 /nfs/dbraw/zinc/23/15/58/573231558.db2.gz CKKAAGQLTISGDO-KXUCPTDWSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@@H](O)C1CCCCCC1 82845624 573231584 /nfs/dbraw/zinc/23/15/84/573231584.db2.gz ORMDVOSGLPYOOW-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@](C)(O)C1CCC(C)CC1 82848809 573231611 /nfs/dbraw/zinc/23/16/11/573231611.db2.gz OVINLTYZCAEADG-VQXHTEKXSA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@H]1C[C@](O)(C=C(C)C)CCO1 86020479 573231625 /nfs/dbraw/zinc/23/16/25/573231625.db2.gz UOKLKQUIMBPWLO-NWDGAFQWSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)=C[C@](C)(O)c1cccc(F)c1 86018221 573231635 /nfs/dbraw/zinc/23/16/35/573231635.db2.gz DIIDJZPAPCKHBH-LBPRGKRZSA-N 0 0 194.249 2.999 10 0 AFAERN CC(C)=C[C@@]1(O)CCO[C@@H](C(C)C)C1 86020526 573231639 /nfs/dbraw/zinc/23/16/39/573231639.db2.gz JLUYFHHWHQNIOI-NEPJUHHUSA-N 0 0 198.306 2.519 10 0 AFAERN CC(C)=C[C@]1(O)CC[C@H](C)C1 86020787 573232180 /nfs/dbraw/zinc/23/21/80/573232180.db2.gz ACGSTKZJWXSZIP-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H]1C[C@H](n2ccnc2)CC[C@H]1C 82844866 573232323 /nfs/dbraw/zinc/23/23/23/573232323.db2.gz PCQMJCZZHHJVOB-OUAUKWLOSA-N 0 0 178.279 2.880 10 0 AFAERN CCc1ccc(C2CC2)c(N)c1 238322385 573231653 /nfs/dbraw/zinc/23/16/53/573231653.db2.gz RBCGNRHLNUNKHN-UHFFFAOYSA-N 0 0 161.248 2.709 10 0 AFAERN COCCC(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1 82843241 573231673 /nfs/dbraw/zinc/23/16/73/573231673.db2.gz GMIGFMJXTMNZDE-VWYCJHECSA-N 0 0 198.306 2.664 10 0 AFAERN c1ccc2c(c1)[C@@H]1CC13C[C@@H]23 104927547 573231711 /nfs/dbraw/zinc/23/17/11/573231711.db2.gz AMKTWDDHZREJTB-QRHSGQBVSA-N 0 0 142.201 2.661 10 0 AFAERN CCO[C@H](C(=O)C[C@@H](C)CC)C1CC1 132153806 573231720 /nfs/dbraw/zinc/23/17/20/573231720.db2.gz GOFQPEHGECBCBN-CABZTGNLSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)=C[C@@H](O)c1ccc(C)o1 86018976 573231749 /nfs/dbraw/zinc/23/17/49/573231749.db2.gz BGPQLDIWSZVQIG-SECBINFHSA-N 0 0 166.220 2.588 10 0 AFAERN CC(C)=C[C@@H](O)c1cccs1 86019226 573231768 /nfs/dbraw/zinc/23/17/68/573231768.db2.gz KYNARSMGCCQDKX-MRVPVSSYSA-N 0 0 168.261 2.748 10 0 AFAERN CC(C)=C[C@@]1(O)CCCC[C@@H]1C 86018046 573231784 /nfs/dbraw/zinc/23/17/84/573231784.db2.gz MAZFMJHXXAHLKO-QWRGUYRKSA-N 0 0 168.280 2.894 10 0 AFAERN CCC(C)(C)COC(=O)[C@H]1C[C@H]1C 308312851 573231798 /nfs/dbraw/zinc/23/17/98/573231798.db2.gz SNUPSCHAFSSESZ-BDAKNGLRSA-N 0 0 184.279 2.622 10 0 AFAERN CCc1cnc(Cl)c(CC)c1 238323499 573231809 /nfs/dbraw/zinc/23/18/09/573231809.db2.gz JRDWAYFIUIYKGV-UHFFFAOYSA-N 0 0 169.655 2.860 10 0 AFAERN CC(C)=C[C@]1(O)CCO[C@@H](C(C)C)C1 86020513 573231819 /nfs/dbraw/zinc/23/18/19/573231819.db2.gz JLUYFHHWHQNIOI-VXGBXAGGSA-N 0 0 198.306 2.519 10 0 AFAERN CC(C)=C[C@@]1(O)CC[C@H](C)C1 86020777 573232156 /nfs/dbraw/zinc/23/21/56/573232156.db2.gz ACGSTKZJWXSZIP-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)=C[C@@H](O)[C@H]1CC=CCC1 86020214 573231838 /nfs/dbraw/zinc/23/18/38/573231838.db2.gz MPVYYUUSOWAEIF-WDEREUQCSA-N 0 0 166.264 2.670 10 0 AFAERN CCC[C@@H](C)[C@@H](O)C=C(C)C 86020315 573231849 /nfs/dbraw/zinc/23/18/49/573231849.db2.gz VAEWBFHTBLKTTM-ZJUUUORDSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@@H](C)C(=O)N[C@@H](C)C(C)(C)C 308313810 573231860 /nfs/dbraw/zinc/23/18/60/573231860.db2.gz TWIROIYVPIAHGO-BDAKNGLRSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)=C[C@@H](O)c1ccsc1 86019140 573231883 /nfs/dbraw/zinc/23/18/83/573231883.db2.gz QKIGEFKRJJRIND-SECBINFHSA-N 0 0 168.261 2.748 10 0 AFAERN COC(=O)Nc1cc(N=O)ccc1C 238322851 573231894 /nfs/dbraw/zinc/23/18/94/573231894.db2.gz LLBGFVJYZXZXGV-UHFFFAOYSA-N 0 0 194.190 2.571 10 0 AFAERN C[C@H]1C[C@@H](SCCO)CC[C@H]1C 82842395 573231928 /nfs/dbraw/zinc/23/19/28/573231928.db2.gz UZWCQKAQVBQTRH-UTLUCORTSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)=C[C@H](O)c1ccccc1C 86019559 573231936 /nfs/dbraw/zinc/23/19/36/573231936.db2.gz VAPZFQXXSHIMEW-LBPRGKRZSA-N 0 0 176.259 2.995 10 0 AFAERN CC(C)=C[C@]1(O)CCO[C@H](C(C)C)C1 86020509 573231951 /nfs/dbraw/zinc/23/19/51/573231951.db2.gz JLUYFHHWHQNIOI-NWDGAFQWSA-N 0 0 198.306 2.519 10 0 AFAERN C[C@H]1CSc2c(C=O)cccc21 257976076 573231962 /nfs/dbraw/zinc/23/19/62/573231962.db2.gz GVAYEZWGTHVNMG-ZETCQYMHSA-N 0 0 178.256 2.708 10 0 AFAERN CC1=C[C@H](Cc2c[nH]c(=S)[nH]2)CC1 115902307 573231978 /nfs/dbraw/zinc/23/19/78/573231978.db2.gz VDERHMOKWVJRGR-MRVPVSSYSA-N 0 0 194.303 2.971 10 0 AFAERN CC(C)=C[C@@]1(O)CCC[C@@H]1C 86021281 573231981 /nfs/dbraw/zinc/23/19/81/573231981.db2.gz MSYHBDSGFZYMBV-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H]1C[C@H](CCCO)CC[C@H]1C 82845478 573232003 /nfs/dbraw/zinc/23/20/03/573232003.db2.gz VHEVMUXEXIABJG-OUAUKWLOSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)=C[C@@]1(O)CCc2ccccc21 86018156 573232063 /nfs/dbraw/zinc/23/20/63/573232063.db2.gz BPRBLLPLFGLLGU-ZDUSSCGKSA-N 0 0 188.270 2.787 10 0 AFAERN C[C@H]1C[C@@H](n2cccn2)CC[C@H]1C 82844854 573232076 /nfs/dbraw/zinc/23/20/76/573232076.db2.gz QEZYVRSUBCNBEE-VWYCJHECSA-N 0 0 178.279 2.880 10 0 AFAERN CC(C)=C[C@@H](O)c1ccccc1C 86019556 573232114 /nfs/dbraw/zinc/23/21/14/573232114.db2.gz VAPZFQXXSHIMEW-GFCCVEGCSA-N 0 0 176.259 2.995 10 0 AFAERN CC[C@@H](C)C(=O)OC(C)(C)C1CC1 308313134 573232887 /nfs/dbraw/zinc/23/28/87/573232887.db2.gz SSZNAKZIHLWXPL-MRVPVSSYSA-N 0 0 184.279 2.764 10 0 AFAERN C[C@H]1C[C@H](n2cccn2)CC[C@H]1C 82844857 573232209 /nfs/dbraw/zinc/23/22/09/573232209.db2.gz QEZYVRSUBCNBEE-OUAUKWLOSA-N 0 0 178.279 2.880 10 0 AFAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1Nc1ccccn1 716610507 573232398 /nfs/dbraw/zinc/23/23/98/573232398.db2.gz HFTNPLQJTDMYOT-LMLFDSFASA-N 0 0 188.274 2.538 10 0 AFAERN CCOC(=O)[C@@H]1CCC[C@H]2CCC[C@@H]21 215111288 573232227 /nfs/dbraw/zinc/23/22/27/573232227.db2.gz ZZWILHHAJALHIX-OUAUKWLOSA-N 0 0 196.290 2.766 10 0 AFAERN c1ccc2cc3c(cc2c1)C3 104924545 573232233 /nfs/dbraw/zinc/23/22/33/573232233.db2.gz SHKRKDNBUOUWRB-UHFFFAOYSA-N 0 0 140.185 2.744 10 0 AFAERN CCOC(=O)N[C@H]1CCC[C@@H](CC)C1 82848211 573232236 /nfs/dbraw/zinc/23/22/36/573232236.db2.gz RSUZICCOQHBTTP-ZJUUUORDSA-N 0 0 199.294 2.701 10 0 AFAERN CC(C)=C[C@@]1(O)CCC[C@H]1C 86021274 573232259 /nfs/dbraw/zinc/23/22/59/573232259.db2.gz MSYHBDSGFZYMBV-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CNc1c(Cl)cnc2ccccc12 238323222 573232313 /nfs/dbraw/zinc/23/23/13/573232313.db2.gz RWBSYKIKTRTMEW-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CCCC1([C@@H](CCC2CC2)NN)CC1 308524677 573232415 /nfs/dbraw/zinc/23/24/15/573232415.db2.gz INWFJGPOIGDTEX-LLVKDONJSA-N 0 0 196.338 2.589 10 0 AFAERN CC[C@]1(C)C[C@](O)(C=C(C)C)CCO1 86020580 573232434 /nfs/dbraw/zinc/23/24/34/573232434.db2.gz VTBNRIRDXPFVHS-VXGBXAGGSA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@@H]1CC[C@@](O)(C=C(C)C)C1 86020823 573232442 /nfs/dbraw/zinc/23/24/42/573232442.db2.gz PNRCBIAPOITDJK-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@H]1CC[C@@](O)(C=C(C)C)C1 86020831 573232458 /nfs/dbraw/zinc/23/24/58/573232458.db2.gz PNRCBIAPOITDJK-WDEREUQCSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)=CCOc1cc(C)ccc1N 115902267 573232468 /nfs/dbraw/zinc/23/24/68/573232468.db2.gz KTPOYUVYOSHDIS-UHFFFAOYSA-N 0 0 191.274 2.922 10 0 AFAERN C1=C[C@H]2CC[C@@H]1C1=CCC=C12 104927469 573232487 /nfs/dbraw/zinc/23/24/87/573232487.db2.gz HCHKKNABZPUOFQ-DTORHVGOSA-N 0 0 144.217 2.839 10 0 AFAERN CCn1c(COC)cc2ccccc21 257970298 573232520 /nfs/dbraw/zinc/23/25/20/573232520.db2.gz IUFRVIIOVRPZCQ-UHFFFAOYSA-N 0 0 189.258 2.808 10 0 AFAERN CC(C)=C[C@H](O)c1ccsc1 86019138 573232538 /nfs/dbraw/zinc/23/25/38/573232538.db2.gz QKIGEFKRJJRIND-VIFPVBQESA-N 0 0 168.261 2.748 10 0 AFAERN CC(C)=C[C@@](C)(O)c1ccc(F)cc1 86018211 573232543 /nfs/dbraw/zinc/23/25/43/573232543.db2.gz ZBPKBUWEZXBGCV-GFCCVEGCSA-N 0 0 194.249 2.999 10 0 AFAERN C[C@@H]1CSc2c(C=O)cccc21 257976073 573232547 /nfs/dbraw/zinc/23/25/47/573232547.db2.gz GVAYEZWGTHVNMG-SSDOTTSWSA-N 0 0 178.256 2.708 10 0 AFAERN c1nc(C[C@H]2CCC3=C2CCC3)c[nH]1 115902723 573232574 /nfs/dbraw/zinc/23/25/74/573232574.db2.gz CYUYWRBAYDTYIH-SNVBAGLBSA-N 0 0 188.274 2.843 10 0 AFAERN COCc1cc(C)cc(Cl)c1O 238323474 573232591 /nfs/dbraw/zinc/23/25/91/573232591.db2.gz BUGBOUAWYSMCCT-UHFFFAOYSA-N 0 0 186.638 2.500 10 0 AFAERN CC[C@@H](C)[C@](C)(O)C=C(C)C 86018484 573232607 /nfs/dbraw/zinc/23/26/07/573232607.db2.gz GCTDMWRWAGDUFS-NXEZZACHSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)=C[C@@H](O)c1ccc(F)cc1F 86019702 573232701 /nfs/dbraw/zinc/23/27/01/573232701.db2.gz BABDZYDBDBHURY-LLVKDONJSA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=C[C@@H](O)c1cc(F)ccc1F 86019944 573233431 /nfs/dbraw/zinc/23/34/31/573233431.db2.gz LHDLBORXXGHMFV-LLVKDONJSA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=C[C@H](O)[C@H]1CC=CCC1 86020211 573233636 /nfs/dbraw/zinc/23/36/36/573233636.db2.gz MPVYYUUSOWAEIF-QWRGUYRKSA-N 0 0 166.264 2.670 10 0 AFAERN CCc1cc(CC)cc([C@@H](C)O)c1 238322638 573232727 /nfs/dbraw/zinc/23/27/27/573232727.db2.gz LQAUAXGADFSUAU-SECBINFHSA-N 0 0 178.275 2.865 10 0 AFAERN CC(C)=C[C@H](O)c1cccc(F)c1 86019414 573232730 /nfs/dbraw/zinc/23/27/30/573232730.db2.gz VCXCJDYZNPUJQH-NSHDSACASA-N 0 0 180.222 2.825 10 0 AFAERN CC(C)=C[C@](C)(O)c1ccccc1 86018167 573232761 /nfs/dbraw/zinc/23/27/61/573232761.db2.gz HXKMUNGSIBSBNA-LBPRGKRZSA-N 0 0 176.259 2.860 10 0 AFAERN CC(C)=C[C@H](O)c1ccc(F)c(F)c1 86019503 573232805 /nfs/dbraw/zinc/23/28/05/573232805.db2.gz MNMIDHDAMKWGAL-NSHDSACASA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=C[C@]1(O)CCC[C@@H]1C 86021290 573232855 /nfs/dbraw/zinc/23/28/55/573232855.db2.gz MSYHBDSGFZYMBV-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN COc1cccc([C@H](O)C=C(C)C)c1 86018846 573232894 /nfs/dbraw/zinc/23/28/94/573232894.db2.gz JLOQQNABWDCBQG-GFCCVEGCSA-N 0 0 192.258 2.695 10 0 AFAERN CCC1CCC([C@@H](C)O)CC1 82848992 573232895 /nfs/dbraw/zinc/23/28/95/573232895.db2.gz NNQGUORFVLRFAY-XNWIYYODSA-N 0 0 156.269 2.584 10 0 AFAERN C/C=C\COC(=O)/C=C/C(C)(C)C 308313464 573232900 /nfs/dbraw/zinc/23/29/00/573232900.db2.gz SXJOLWPJQBGJPD-IGTJQSIKSA-N 0 0 182.263 2.708 10 0 AFAERN C/C=C(/CC)C(=O)O[C@]1(C)C[C@H]1C 308319644 573233825 /nfs/dbraw/zinc/23/38/25/573233825.db2.gz XTBZEUPSZIEBHW-DWNSSHTKSA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)=C[C@](C)(O)c1ccc(F)cc1 86018207 573232932 /nfs/dbraw/zinc/23/29/32/573232932.db2.gz ZBPKBUWEZXBGCV-LBPRGKRZSA-N 0 0 194.249 2.999 10 0 AFAERN CCC[C@H]1C[C@@](O)(C=C(C)C)CCO1 86020485 573232938 /nfs/dbraw/zinc/23/29/38/573232938.db2.gz UOKLKQUIMBPWLO-RYUDHWBXSA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@@](O)(C=C(C)C)C1CC1 86021132 573232947 /nfs/dbraw/zinc/23/29/47/573232947.db2.gz BCIJTHNFGFIZQS-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN OC/C=C/C=C\c1ccc(F)cc1F 215110209 573232948 /nfs/dbraw/zinc/23/29/48/573232948.db2.gz RTQNDQSPWJIWOL-TZFCGSKZSA-N 0 0 196.196 2.527 10 0 AFAERN CC[C@](O)(C=C(C)C)C1CC1 86021137 573232974 /nfs/dbraw/zinc/23/29/74/573232974.db2.gz BCIJTHNFGFIZQS-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN CCC1CCC([C@H](O)CC)CC1 82848994 573232999 /nfs/dbraw/zinc/23/29/99/573232999.db2.gz OOMVNHJOSRPZGT-VQXHTEKXSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(C)c(C)c([C@H](C)CO)c1 257975994 573233004 /nfs/dbraw/zinc/23/30/04/573233004.db2.gz IYDFNPBJFYZXQK-SNVBAGLBSA-N 0 0 178.275 2.708 10 0 AFAERN CC(C)=C[C@@H](O)c1ccc(F)c(F)c1 86019508 573233832 /nfs/dbraw/zinc/23/38/32/573233832.db2.gz MNMIDHDAMKWGAL-LLVKDONJSA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=C[C@](C)(O)c1ccccc1F 86018232 573233022 /nfs/dbraw/zinc/23/30/22/573233022.db2.gz TUXHMOXLJRWWAE-LBPRGKRZSA-N 0 0 194.249 2.999 10 0 AFAERN CC(C)=C[C@@](C)(O)c1cccs1 86018652 573233036 /nfs/dbraw/zinc/23/30/36/573233036.db2.gz PZGMFDZYPIZEEO-SNVBAGLBSA-N 0 0 182.288 2.922 10 0 AFAERN CC(C)=C[C@]1(O)CCC[C@@H](C)C1 86017954 573233044 /nfs/dbraw/zinc/23/30/44/573233044.db2.gz JBMJUCFPHNINTP-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1c(N)noc1C1(C)CCCCC1 235741351 573233830 /nfs/dbraw/zinc/23/38/30/573233830.db2.gz ASTUVYRXNKCYHP-UHFFFAOYSA-N 0 0 194.278 2.787 10 0 AFAERN CC(C)=CC1(O)CCC(C)CC1 86017972 573233084 /nfs/dbraw/zinc/23/30/84/573233084.db2.gz KDUVASDNTCSGKI-UHFFFAOYSA-N 0 0 168.280 2.894 10 0 AFAERN C/C=C(\CC)C(=O)O[C@]1(C)C[C@@H]1C 308319643 573233089 /nfs/dbraw/zinc/23/30/89/573233089.db2.gz XTBZEUPSZIEBHW-CGVZAVEBSA-N 0 0 182.263 2.684 10 0 AFAERN CCC(CC)[C@H](O)C=C(C)C 86019543 573233090 /nfs/dbraw/zinc/23/30/90/573233090.db2.gz HYBAEDJUOXHVCG-SNVBAGLBSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)=C[C@H](O)c1ccc(F)cc1 86019298 573233126 /nfs/dbraw/zinc/23/31/26/573233126.db2.gz UYOQIYGVKVDOFL-NSHDSACASA-N 0 0 180.222 2.825 10 0 AFAERN CCc1cc(CC)c(O)c(CC)c1O 238322414 573233149 /nfs/dbraw/zinc/23/31/49/573233149.db2.gz WCARDPYUYDXTAD-UHFFFAOYSA-N 0 0 194.274 2.785 10 0 AFAERN COCn1ccc2ccc(Cl)cc21 123887080 573233157 /nfs/dbraw/zinc/23/31/57/573233157.db2.gz MZRMVLSUICOQFY-UHFFFAOYSA-N 0 0 195.649 2.899 10 0 AFAERN CC(C)=C[C@H](O)c1ccc(C)o1 86018979 573233180 /nfs/dbraw/zinc/23/31/80/573233180.db2.gz BGPQLDIWSZVQIG-VIFPVBQESA-N 0 0 166.220 2.588 10 0 AFAERN CCc1ccc([C@H](O)C=C(C)C)o1 86019897 573233209 /nfs/dbraw/zinc/23/32/09/573233209.db2.gz OXKUDZUXGGMPBF-SNVBAGLBSA-N 0 0 180.247 2.842 10 0 AFAERN CC(C)=C[C@@H](O)c1cccc(C)c1 86019570 573233255 /nfs/dbraw/zinc/23/32/55/573233255.db2.gz JDLVLUZRIPZAJC-GFCCVEGCSA-N 0 0 176.259 2.995 10 0 AFAERN CC(C)=C[C@@]1(O)CCC[C@@H](C)C1 86017948 573233262 /nfs/dbraw/zinc/23/32/62/573233262.db2.gz JBMJUCFPHNINTP-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1Nc1ccccn1 716610512 573233276 /nfs/dbraw/zinc/23/32/76/573233276.db2.gz HFTNPLQJTDMYOT-RCWTZXSCSA-N 0 0 188.274 2.538 10 0 AFAERN CCC(CC)[C@@H](O)C=C(C)C 86019548 573233285 /nfs/dbraw/zinc/23/32/85/573233285.db2.gz HYBAEDJUOXHVCG-JTQLQIEISA-N 0 0 156.269 2.750 10 0 AFAERN CC(=O)C[C@@]1(C)C[C@@H]1C=C(C)C 197225783 573233305 /nfs/dbraw/zinc/23/33/05/573233305.db2.gz ORUAAXMFNPNCIP-QWRGUYRKSA-N 0 0 166.264 2.958 10 0 AFAERN CCC1CCC([C@@H](O)CC)CC1 82848995 573233310 /nfs/dbraw/zinc/23/33/10/573233310.db2.gz OOMVNHJOSRPZGT-ILDUYXDCSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)=C[C@H](O)c1cccc(C)c1 86019573 573233355 /nfs/dbraw/zinc/23/33/55/573233355.db2.gz JDLVLUZRIPZAJC-LBPRGKRZSA-N 0 0 176.259 2.995 10 0 AFAERN C[C@H]1C[C@@H]([C@H](O)C2CC2)CC[C@H]1C 82842760 573233365 /nfs/dbraw/zinc/23/33/65/573233365.db2.gz TUZOBPQYHIZVJK-LLHIFLOGSA-N 0 0 182.307 2.830 10 0 AFAERN CC[C@@H]1CC[C@](O)(C=C(C)C)C1 86020815 573233387 /nfs/dbraw/zinc/23/33/87/573233387.db2.gz PNRCBIAPOITDJK-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN COc1ccc([C@@H](C)C(C)=O)cc1C 258602060 573233402 /nfs/dbraw/zinc/23/34/02/573233402.db2.gz NJDIGMCAONKGTL-VIFPVBQESA-N 0 0 192.258 2.696 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)C=C(C)C 86018488 573233416 /nfs/dbraw/zinc/23/34/16/573233416.db2.gz GCTDMWRWAGDUFS-ZJUUUORDSA-N 0 0 156.269 2.750 10 0 AFAERN CC[C@H]1C[C@H](C)C(=O)C1(C)C 238323582 573233423 /nfs/dbraw/zinc/23/34/23/573233423.db2.gz RSQOGAOGUZHYSU-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@]1(C)C[C@](O)(C=C(C)C)CCO1 86020585 573233557 /nfs/dbraw/zinc/23/35/57/573233557.db2.gz VTBNRIRDXPFVHS-NWDGAFQWSA-N 0 0 198.306 2.663 10 0 AFAERN COc1ccc([C@@H](O)C=C(C)C)cc1 86018754 573233582 /nfs/dbraw/zinc/23/35/82/573233582.db2.gz USKKFTGLXCJGAS-LBPRGKRZSA-N 0 0 192.258 2.695 10 0 AFAERN CCC[C@H](C)[C@@H](O)C=C(C)C 86020317 573233601 /nfs/dbraw/zinc/23/36/01/573233601.db2.gz VAEWBFHTBLKTTM-UWVGGRQHSA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)=C[C@@]1(O)CCO[C@H](C(C)C)C1 86020517 573233613 /nfs/dbraw/zinc/23/36/13/573233613.db2.gz JLUYFHHWHQNIOI-RYUDHWBXSA-N 0 0 198.306 2.519 10 0 AFAERN CCC[C@@H]1C[C@](O)(C=C(C)C)CCO1 86020476 573233617 /nfs/dbraw/zinc/23/36/17/573233617.db2.gz UOKLKQUIMBPWLO-VXGBXAGGSA-N 0 0 198.306 2.663 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1Nc1ccccn1 716610517 573233639 /nfs/dbraw/zinc/23/36/39/573233639.db2.gz HFTNPLQJTDMYOT-VPOLOUISSA-N 0 0 188.274 2.538 10 0 AFAERN CC[C@](O)(C=C(C)C)C(C)C 86018511 573233675 /nfs/dbraw/zinc/23/36/75/573233675.db2.gz YXFNMAPJNPKTNA-JTQLQIEISA-N 0 0 156.269 2.750 10 0 AFAERN CC(C)=C[C@@H](O)c1c(F)cccc1F 86019495 573233688 /nfs/dbraw/zinc/23/36/88/573233688.db2.gz JSRVWLDDYHHHRT-SNVBAGLBSA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=C[C@H](O)c1ccccc1F 86019401 573233708 /nfs/dbraw/zinc/23/37/08/573233708.db2.gz RTHPNMXAQPPCKC-NSHDSACASA-N 0 0 180.222 2.825 10 0 AFAERN CC[C@]1(C)C[C@@](O)(C=C(C)C)CCO1 86020589 573233754 /nfs/dbraw/zinc/23/37/54/573233754.db2.gz VTBNRIRDXPFVHS-NEPJUHHUSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1cc(C)c(C)c([C@@H](C)CO)c1 257975992 573233766 /nfs/dbraw/zinc/23/37/66/573233766.db2.gz IYDFNPBJFYZXQK-JTQLQIEISA-N 0 0 178.275 2.708 10 0 AFAERN CC[C@H](C)C(=O)OC(C)(C)C1CC1 308313135 573233770 /nfs/dbraw/zinc/23/37/70/573233770.db2.gz SSZNAKZIHLWXPL-QMMMGPOBSA-N 0 0 184.279 2.764 10 0 AFAERN CCC(O)(C=C(C)C)CC 86018358 573233805 /nfs/dbraw/zinc/23/38/05/573233805.db2.gz GBVCNGBFJHHACJ-UHFFFAOYSA-N 0 0 142.242 2.504 10 0 AFAERN CC(C)=C[C@H](O)C1CCCC1 86020103 573233813 /nfs/dbraw/zinc/23/38/13/573233813.db2.gz VEKLTXYACZJTCK-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H](C)[C@@](C)(O)C=C(C)C 86018494 573233816 /nfs/dbraw/zinc/23/38/16/573233816.db2.gz GCTDMWRWAGDUFS-UWVGGRQHSA-N 0 0 156.269 2.750 10 0 AFAERN CCc1cc(CC)c(O)c(C)c1O 238322379 573233892 /nfs/dbraw/zinc/23/38/92/573233892.db2.gz VHZWTIQWARFORD-UHFFFAOYSA-N 0 0 180.247 2.531 10 0 AFAERN OCC/C=C\C[C@H]1CCCCS1 258244225 573233862 /nfs/dbraw/zinc/23/38/62/573233862.db2.gz QEMVZFVQARJPER-SYBPUXJVSA-N 0 0 186.320 2.601 10 0 AFAERN C/C=C/COC(=O)/C=C/C(C)(C)C 308313463 573233868 /nfs/dbraw/zinc/23/38/68/573233868.db2.gz SXJOLWPJQBGJPD-BSWSSELBSA-N 0 0 182.263 2.708 10 0 AFAERN CC(C)=C[C@@H](O)[C@@H]1CC=CCC1 86020218 573233878 /nfs/dbraw/zinc/23/38/78/573233878.db2.gz MPVYYUUSOWAEIF-GHMZBOCLSA-N 0 0 166.264 2.670 10 0 AFAERN CC(C)=C[C@](C)(O)Cc1ccccc1 86018618 573234206 /nfs/dbraw/zinc/23/42/06/573234206.db2.gz UUBAMILUBFBBBL-ZDUSSCGKSA-N 0 0 190.286 2.946 10 0 AFAERN CCC(C)(C)COC(=O)[C@H]1C[C@@H]1C 308312853 573233917 /nfs/dbraw/zinc/23/39/17/573233917.db2.gz SNUPSCHAFSSESZ-IUCAKERBSA-N 0 0 184.279 2.622 10 0 AFAERN CC(C)=C[C@]1(O)CCc2ccccc21 86018152 573233933 /nfs/dbraw/zinc/23/39/33/573233933.db2.gz BPRBLLPLFGLLGU-CYBMUJFWSA-N 0 0 188.270 2.787 10 0 AFAERN CC(C)=C[C@](C)(O)c1cccs1 86018649 573233953 /nfs/dbraw/zinc/23/39/53/573233953.db2.gz PZGMFDZYPIZEEO-JTQLQIEISA-N 0 0 182.288 2.922 10 0 AFAERN CC(C)=C[C@]1(O)CC[C@@H](C)C1 86020783 573233963 /nfs/dbraw/zinc/23/39/63/573233963.db2.gz ACGSTKZJWXSZIP-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN C/C=C\COC(=O)/C=C\C(C)(C)C 308313465 573233966 /nfs/dbraw/zinc/23/39/66/573233966.db2.gz SXJOLWPJQBGJPD-ISTTXYCBSA-N 0 0 182.263 2.708 10 0 AFAERN CC(C)=C[C@@]1(O)CCCC[C@H]1C 86018042 573233970 /nfs/dbraw/zinc/23/39/70/573233970.db2.gz MAZFMJHXXAHLKO-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN Cc1cn(C)c2c([C@@H](C)O)cccc12 258244739 573233976 /nfs/dbraw/zinc/23/39/76/573233976.db2.gz XLCMCYUMNHOPBK-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CC(C)=C[C@H](O)c1ccc(C)cc1 86019467 573234010 /nfs/dbraw/zinc/23/40/10/573234010.db2.gz OSMYFIGETWASKR-LBPRGKRZSA-N 0 0 176.259 2.995 10 0 AFAERN COc1ccc([C@H](C)C(C)=O)cc1C 258602058 573234037 /nfs/dbraw/zinc/23/40/37/573234037.db2.gz NJDIGMCAONKGTL-SECBINFHSA-N 0 0 192.258 2.696 10 0 AFAERN COc1ccc2c(C)c(N)ccc2c1 258243673 573234059 /nfs/dbraw/zinc/23/40/59/573234059.db2.gz PVZWFZVRRKIHDG-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN CC(C)=C[C@H](O)c1cccc(F)c1F 86020017 573234063 /nfs/dbraw/zinc/23/40/63/573234063.db2.gz WTKQNTVOIAMNHA-JTQLQIEISA-N 0 0 198.212 2.964 10 0 AFAERN CC(C)=C[C@@](C)(O)c1cccc(F)c1 86018224 573234097 /nfs/dbraw/zinc/23/40/97/573234097.db2.gz DIIDJZPAPCKHBH-GFCCVEGCSA-N 0 0 194.249 2.999 10 0 AFAERN CCC(C)(C)COC(=O)[C@@H]1C[C@H]1C 308312855 573234166 /nfs/dbraw/zinc/23/41/66/573234166.db2.gz SNUPSCHAFSSESZ-RKDXNWHRSA-N 0 0 184.279 2.622 10 0 AFAERN Cc1cc(C)c(C(C)(C)O)c(O)c1C 259388296 573234146 /nfs/dbraw/zinc/23/41/46/573234146.db2.gz IMGPOVOFQMIWNE-UHFFFAOYSA-N 0 0 194.274 2.545 10 0 AFAERN CNc1c(C)cc(C)c(F)c1C 238322546 573234846 /nfs/dbraw/zinc/23/48/46/573234846.db2.gz PFOSVVCJRGKHGW-UHFFFAOYSA-N 0 0 167.227 2.793 10 0 AFAERN CC[C@H](C)NC(=O)/C=C\C(C)(C)C 308323167 573234847 /nfs/dbraw/zinc/23/48/47/573234847.db2.gz ZZMCIJYSMPLUGI-FUOZMLNRSA-N 0 0 183.295 2.503 10 0 AFAERN C=C=C(CCc1ccccc1)[C@H](C)O 238418541 573235552 /nfs/dbraw/zinc/23/55/52/573235552.db2.gz UHHSDKWLFDWANC-NSHDSACASA-N 0 0 188.270 2.711 10 0 AFAERN C[C@@H](OC(=O)C1CC1)C1CCCC1 308323241 573236117 /nfs/dbraw/zinc/23/61/17/573236117.db2.gz CTUTZLLVIGBQIU-MRVPVSSYSA-N 0 0 182.263 2.518 10 0 AFAERN OCC/C=C\C[C@@H]1CCCCS1 258244223 573237846 /nfs/dbraw/zinc/23/78/46/573237846.db2.gz QEMVZFVQARJPER-JWXWKVPASA-N 0 0 186.320 2.601 10 0 AFAERN CC(=O)O[C@@H]1CC[C@@H]2CCC[C@H]2C1 105020545 573237882 /nfs/dbraw/zinc/23/78/82/573237882.db2.gz SNEHRCOGXREQDQ-GARJFASQSA-N 0 0 182.263 2.518 10 0 AFAERN CCO/C=C/C(Cl)=C/Cl 238315029 573237895 /nfs/dbraw/zinc/23/78/95/573237895.db2.gz ZKIGMDNJBUZLJG-ICWBMWKASA-N 0 0 167.035 2.856 10 0 AFAERN CSC(=N)c1ccc(F)c(C)c1 259387949 573237923 /nfs/dbraw/zinc/23/79/23/573237923.db2.gz XVYTXWGWENYGEW-UHFFFAOYSA-N 0 0 183.251 2.822 10 0 AFAERN OCC(F)(F)c1coc2ccccc12 259042183 573237957 /nfs/dbraw/zinc/23/79/57/573237957.db2.gz TWIHNCIBLARXHH-UHFFFAOYSA-N 0 0 198.168 2.517 10 0 AFAERN C[C@H]1C[C@H]2CCCC[C@H]2CC1=O 105100503 573238071 /nfs/dbraw/zinc/23/80/71/573238071.db2.gz MHEYINGBKKDJJK-AEJSXWLSSA-N 0 0 166.264 2.792 10 0 AFAERN CNc1ccc(OC)c([C@H]2C[C@H]2C)c1 238314519 573238160 /nfs/dbraw/zinc/23/81/60/573238160.db2.gz DFNDFEWCHFOZHJ-SCZZXKLOSA-N 0 0 191.274 2.860 10 0 AFAERN CSCC(=O)C1CCC(C)CC1 82849241 573238212 /nfs/dbraw/zinc/23/82/12/573238212.db2.gz XGPWYMFWJSYDKA-UHFFFAOYSA-N 0 0 186.320 2.745 10 0 AFAERN CSC[C@H](O)C1CCC(C)CC1 82849305 573238249 /nfs/dbraw/zinc/23/82/49/573238249.db2.gz WZOYVKCWUVINBA-RTBKNWGFSA-N 0 0 188.336 2.537 10 0 AFAERN Cc1cncc([C@H](O)CCCCF)c1 308528228 573238250 /nfs/dbraw/zinc/23/82/50/573238250.db2.gz JTFJWJZVMPKXMK-LLVKDONJSA-N 0 0 197.253 2.563 10 0 AFAERN C=C=C[C@H](O)c1ccccc1CC 238314414 573238271 /nfs/dbraw/zinc/23/82/71/573238271.db2.gz CHPROJSGNIEXJP-LBPRGKRZSA-N 0 0 174.243 2.624 10 0 AFAERN Cc1cccc(N)c1OCCCCF 308527526 573238617 /nfs/dbraw/zinc/23/86/17/573238617.db2.gz JMYZUHWYYMLNKU-UHFFFAOYSA-N 0 0 197.253 2.706 10 0 AFAERN CCc1cc2c(C)ncnc2s1 238314248 573238450 /nfs/dbraw/zinc/23/84/50/573238450.db2.gz WFGQTYJRNYWBNJ-UHFFFAOYSA-N 0 0 178.260 2.544 10 0 AFAERN CCCn1cnnc1C1(CCC)CC1 308528309 573238462 /nfs/dbraw/zinc/23/84/62/573238462.db2.gz JUXFOJAPENHTSB-UHFFFAOYSA-N 0 0 193.294 2.520 10 0 AFAERN CC1CCC(C[C@H](C)CO)CC1 82856847 573238573 /nfs/dbraw/zinc/23/85/73/573238573.db2.gz OEHKBEIHFGKDKX-YVNMAJEFSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@H](OC(=O)C1CC1)C1CCCC1 308323242 573238578 /nfs/dbraw/zinc/23/85/78/573238578.db2.gz CTUTZLLVIGBQIU-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN c1ccc2c(-c3ncco3)c[nH]c2c1 115940971 573240070 /nfs/dbraw/zinc/24/00/70/573240070.db2.gz RQPIOHYJYNQWTB-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN CCC(=O)CCC1(COC)CCC1 308324378 573240393 /nfs/dbraw/zinc/24/03/93/573240393.db2.gz DTSYJENDJCGOAX-UHFFFAOYSA-N 0 0 184.279 2.562 10 0 AFAERN CCNc1n[nH]c2c1C[C@H](C)C[C@@H]2C 82859131 573240394 /nfs/dbraw/zinc/24/03/94/573240394.db2.gz BBULAQQNZSTSIW-SFYZADRCSA-N 0 0 193.294 2.527 10 0 AFAERN Cc1ccc2c(c1)nc(C1CC1)n2C 258604126 573240415 /nfs/dbraw/zinc/24/04/15/573240415.db2.gz NNLTULDXSSFJDD-UHFFFAOYSA-N 0 0 186.258 2.759 10 0 AFAERN C[C@H]1CCc2cc(Cl)nnc2[C@@H]1C 82857555 573241362 /nfs/dbraw/zinc/24/13/62/573241362.db2.gz OLRQRWVBNMSYHD-NKWVEPMBSA-N 0 0 196.681 2.816 10 0 AFAERN CC1CCC(c2cccnc2N)CC1 82856508 573239961 /nfs/dbraw/zinc/23/99/61/573239961.db2.gz OKOHFVWNNCEALR-UHFFFAOYSA-N 0 0 190.290 2.958 10 0 AFAERN C[C@@H]1CC[C@@H](C)c2sc(N)nc21 82857130 573239971 /nfs/dbraw/zinc/23/99/71/573239971.db2.gz FKCBXERVMUPWMK-PHDIDXHHSA-N 0 0 182.292 2.726 10 0 AFAERN COCc1cc(Cl)cc(C)c1O 238323899 573240008 /nfs/dbraw/zinc/24/00/08/573240008.db2.gz BEKZQTXVKXLDTJ-UHFFFAOYSA-N 0 0 186.638 2.500 10 0 AFAERN CCNc1n[nH]c2c1CC[C@@H](C)[C@H]2C 82859120 573240115 /nfs/dbraw/zinc/24/01/15/573240115.db2.gz ONQCVZXVCUNSEQ-HTQZYQBOSA-N 0 0 193.294 2.527 10 0 AFAERN CC1CCC(CC[C@H](C)O)CC1 82856800 573240172 /nfs/dbraw/zinc/24/01/72/573240172.db2.gz LLXWSIGQLALHCB-YVNMAJEFSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@@H](Nc2cn[nH]c2)[C@@H]1C 82858418 573240227 /nfs/dbraw/zinc/24/02/27/573240227.db2.gz YKWVCCBGCNKHDZ-FXPVBKGRSA-N 0 0 193.294 2.646 10 0 AFAERN CC[C@H](O)[C@H]1CC=C(C)C[C@@H]1C 238314834 573240230 /nfs/dbraw/zinc/24/02/30/573240230.db2.gz DFJZNCYTFCSIHK-DCAQKATOSA-N 0 0 168.280 2.750 10 0 AFAERN Clc1ccc(-c2cccnn2)s1 259388376 573240268 /nfs/dbraw/zinc/24/02/68/573240268.db2.gz INISIYCOLUAYFP-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN C[C@@H]1CCc2ccccc2C1 105083226 573240278 /nfs/dbraw/zinc/24/02/78/573240278.db2.gz WJRGJANWBCPTLH-SECBINFHSA-N 0 0 146.233 2.811 10 0 AFAERN CCNc1n[nH]c2c1C[C@H](C)C[C@H]2C 82859130 573240279 /nfs/dbraw/zinc/24/02/79/573240279.db2.gz BBULAQQNZSTSIW-HTQZYQBOSA-N 0 0 193.294 2.527 10 0 AFAERN CNc1nc2c(s1)CC[C@@H](C)[C@H]2C 82857148 573240284 /nfs/dbraw/zinc/24/02/84/573240284.db2.gz LWCUXNFBLHYJKO-RNFRBKRXSA-N 0 0 196.319 2.871 10 0 AFAERN Cc1cc(C)n(CCCC(F)F)n1 688737267 573240339 /nfs/dbraw/zinc/24/03/39/573240339.db2.gz DTZNISIRZFHHOZ-UHFFFAOYSA-N 0 0 188.221 2.545 10 0 AFAERN CC(=S)Nc1cccc(N(C)C)c1 238316079 573241242 /nfs/dbraw/zinc/24/12/42/573241242.db2.gz AZGICCUDZSKTJV-UHFFFAOYSA-N 0 0 194.303 2.512 10 0 AFAERN CCNc1n[nH]c2c1CC[C@H](C)[C@@H]2C 82859123 573241247 /nfs/dbraw/zinc/24/12/47/573241247.db2.gz ONQCVZXVCUNSEQ-YUMQZZPRSA-N 0 0 193.294 2.527 10 0 AFAERN CCc1cc(C(C)=O)cc(CC)c1N 238315837 573241264 /nfs/dbraw/zinc/24/12/64/573241264.db2.gz UESMUBVQIGOXBF-UHFFFAOYSA-N 0 0 191.274 2.596 10 0 AFAERN CSC(=N)c1sccc1C 259046741 573241176 /nfs/dbraw/zinc/24/11/76/573241176.db2.gz CTHJEBRERBZYNH-UHFFFAOYSA-N 0 0 171.290 2.745 10 0 AFAERN CNc1ncc2c(n1)[C@H](C)CC[C@H]2C 82859572 573241188 /nfs/dbraw/zinc/24/11/88/573241188.db2.gz WDJAQACYCHJJCS-HTQZYQBOSA-N 0 0 191.278 2.519 10 0 AFAERN CCNc1n[nH]c2c1[C@H](C)CC[C@@H]2C 82859127 573241212 /nfs/dbraw/zinc/24/12/12/573241212.db2.gz BAEFAZKKOLEFFG-SFYZADRCSA-N 0 0 193.294 2.842 10 0 AFAERN COC(C)(C)C(=O)[C@H]1CCC[C@H](C)C1 86071420 573241219 /nfs/dbraw/zinc/24/12/19/573241219.db2.gz OVTRHQMSMHZYDS-UWVGGRQHSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1ccn(C2CCC(C)CC2)n1 82856503 573241287 /nfs/dbraw/zinc/24/12/87/573241287.db2.gz NHVCVYZIXRBKBP-UHFFFAOYSA-N 0 0 178.279 2.943 10 0 AFAERN CN1CNc2cccc3cccc1c23 238315784 573241296 /nfs/dbraw/zinc/24/12/96/573241296.db2.gz GYSQOBIMPCBKKJ-UHFFFAOYSA-N 0 0 184.242 2.659 10 0 AFAERN Cc1ccc2c(c1)C(C)(C)[C@@H](O)CC2 259046108 573241303 /nfs/dbraw/zinc/24/13/03/573241303.db2.gz APNTWNNOIJPNST-LBPRGKRZSA-N 0 0 190.286 2.580 10 0 AFAERN CCc1cc(C(C)=O)cc(CC)c1O 238315848 573241314 /nfs/dbraw/zinc/24/13/14/573241314.db2.gz AHTBYACPVNXAPX-UHFFFAOYSA-N 0 0 192.258 2.720 10 0 AFAERN C[C@H]1CC[C@@H](C)c2sc(N)nc21 82857131 573241325 /nfs/dbraw/zinc/24/13/25/573241325.db2.gz FKCBXERVMUPWMK-NTSWFWBYSA-N 0 0 182.292 2.726 10 0 AFAERN CCNc1n[nH]c2c1[C@H](C)CC[C@H]2C 82859126 573241334 /nfs/dbraw/zinc/24/13/34/573241334.db2.gz BAEFAZKKOLEFFG-HTQZYQBOSA-N 0 0 193.294 2.842 10 0 AFAERN C/C=C(\c1ccccc1)[C@@H](O)CC 238316226 573241882 /nfs/dbraw/zinc/24/18/82/573241882.db2.gz HORCHDSRFUGCRO-JPOQUURFSA-N 0 0 176.259 2.861 10 0 AFAERN Cc1cccc2c1[nH]c1[nH]c(C=O)cc12 259046165 573241608 /nfs/dbraw/zinc/24/16/08/573241608.db2.gz AQKLQEYCSWCZFY-UHFFFAOYSA-N 0 0 198.225 2.770 10 0 AFAERN CNc1nc2c(s1)C[C@H](C)C[C@H]2C 82857145 573241661 /nfs/dbraw/zinc/24/16/61/573241661.db2.gz URRYTHKBYBUQLI-RNFRBKRXSA-N 0 0 196.319 2.871 10 0 AFAERN CCNc1n[nH]c2c1CC[C@H](C)[C@H]2C 82859122 573241679 /nfs/dbraw/zinc/24/16/79/573241679.db2.gz ONQCVZXVCUNSEQ-JGVFFNPUSA-N 0 0 193.294 2.527 10 0 AFAERN CC1CCC(C[C@@H](C)CO)CC1 82856846 573241689 /nfs/dbraw/zinc/24/16/89/573241689.db2.gz OEHKBEIHFGKDKX-HSOILSAZSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@H]1Cc2cc(Cl)nnc2[C@H](C)C1 82857547 573241694 /nfs/dbraw/zinc/24/16/94/573241694.db2.gz PVUREXKTDWIURY-RNFRBKRXSA-N 0 0 196.681 2.816 10 0 AFAERN CNc1cc2c(nn1)[C@H](C)CC[C@H]2C 82858602 573241730 /nfs/dbraw/zinc/24/17/30/573241730.db2.gz KVUQXFFWDHXFAM-HTQZYQBOSA-N 0 0 191.278 2.519 10 0 AFAERN CNc1ccc([C@H]2CCCC2=O)cc1 238316161 573241779 /nfs/dbraw/zinc/24/17/79/573241779.db2.gz SRMGESFOZXEANZ-LLVKDONJSA-N 0 0 189.258 2.565 10 0 AFAERN COC(C)(C)C(=O)[C@H]1CCC[C@@H](C)C1 86071418 573241783 /nfs/dbraw/zinc/24/17/83/573241783.db2.gz OVTRHQMSMHZYDS-ZJUUUORDSA-N 0 0 198.306 2.807 10 0 AFAERN CNc1ccc([C@@H]2CCC(=O)C2)cc1 238315649 573241815 /nfs/dbraw/zinc/24/18/15/573241815.db2.gz WOMLNZFRSGUTDV-SNVBAGLBSA-N 0 0 189.258 2.565 10 0 AFAERN OC1(c2ccc(CCCF)cc2)CC1 257977028 573241823 /nfs/dbraw/zinc/24/18/23/573241823.db2.gz DIKJHTSNCVEEFE-UHFFFAOYSA-N 0 0 194.249 2.570 10 0 AFAERN COC[C@@H](C)[C@H](C)Nc1ccccc1 308521075 573241829 /nfs/dbraw/zinc/24/18/29/573241829.db2.gz OWERMXGLYHYIIV-MNOVXSKESA-N 0 0 193.290 2.770 10 0 AFAERN O=C(CC1CC1)c1ccoc1Cl 236035691 573241843 /nfs/dbraw/zinc/24/18/43/573241843.db2.gz STVDVAIELGLBGC-UHFFFAOYSA-N 0 0 184.622 2.916 10 0 AFAERN COC(C)(C)C(=O)C1CCCCC1 86071585 573241850 /nfs/dbraw/zinc/24/18/50/573241850.db2.gz MSUORGFCCXKMDA-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN C/C=C(C)/C=C\C(=O)OCC(C)C 308321142 573241855 /nfs/dbraw/zinc/24/18/55/573241855.db2.gz YQYOLMCLFFRUNU-JQEGGOPCSA-N 0 0 182.263 2.708 10 0 AFAERN CC[C@H]1Cc2ccc(N)cc2N[C@@H]1C 238315492 573241868 /nfs/dbraw/zinc/24/18/68/573241868.db2.gz BDVJXSYJEGOYOZ-BDAKNGLRSA-N 0 0 190.290 2.652 10 0 AFAERN CNc1nc2c(s1)C[C@@H](C)C[C@@H]2C 82857146 573241908 /nfs/dbraw/zinc/24/19/08/573241908.db2.gz URRYTHKBYBUQLI-BQBZGAKWSA-N 0 0 196.319 2.871 10 0 AFAERN COC(C)(C)C(=O)c1csc(C)c1 86071627 573241912 /nfs/dbraw/zinc/24/19/12/573241912.db2.gz QXAWMCHMUFHUEX-UHFFFAOYSA-N 0 0 198.287 2.664 10 0 AFAERN CCc1cc2c(OC)c(F)ccc2[nH]1 238316188 573241924 /nfs/dbraw/zinc/24/19/24/573241924.db2.gz OQHLMHAQOGBRFA-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN CCCC[C@@H](C)Nc1cc(C)ncn1 50889358 573242463 /nfs/dbraw/zinc/24/24/63/573242463.db2.gz JPYLJIBKVJABHC-SECBINFHSA-N 0 0 193.294 2.776 10 0 AFAERN CC(C)=CCOC(=O)C[C@@H]1C[C@H]1C 308320082 573242459 /nfs/dbraw/zinc/24/24/59/573242459.db2.gz XYPHBYJRTHBAEQ-ZJUUUORDSA-N 0 0 182.263 2.542 10 0 AFAERN CNc1ccc([C@H]2CCC(=O)C2)cc1 238316130 573242509 /nfs/dbraw/zinc/24/25/09/573242509.db2.gz WOMLNZFRSGUTDV-JTQLQIEISA-N 0 0 189.258 2.565 10 0 AFAERN C[C@H]1CC[C@@H](C)[C@](O)(c2ccoc2)C1 82861429 573243197 /nfs/dbraw/zinc/24/31/97/573243197.db2.gz VGWKNSBMHIOXHJ-UMNHJUIQSA-N 0 0 194.274 2.923 10 0 AFAERN CC[C@]1(O)CCC[C@@H](C)[C@@H]1C 82861120 573244003 /nfs/dbraw/zinc/24/40/03/573244003.db2.gz JMEQNSZOBPJETH-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 82861910 573243860 /nfs/dbraw/zinc/24/38/60/573243860.db2.gz BVZUCYNHZFIXMR-PRJMDXOYSA-N 0 0 196.212 2.736 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@](O)(c2ccoc2)C1 82861428 573243888 /nfs/dbraw/zinc/24/38/88/573243888.db2.gz VGWKNSBMHIOXHJ-FOGDFJRCSA-N 0 0 194.274 2.923 10 0 AFAERN Cn1c(C=O)cc2c3ccccc3oc21 259043708 573243934 /nfs/dbraw/zinc/24/39/34/573243934.db2.gz ALUIZLPFMORTAJ-UHFFFAOYSA-N 0 0 199.209 2.737 10 0 AFAERN CC(C)[C@@]1(O)CCC[C@@H](C)[C@H]1C 82861122 573246190 /nfs/dbraw/zinc/24/61/90/573246190.db2.gz CUQUXRVDKVFRCR-MXWKQRLJSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CCC[C@@](O)(c2ccoc2)[C@@H]1C 82861044 573244722 /nfs/dbraw/zinc/24/47/22/573244722.db2.gz CMMDMMNUJJTMGW-FOGDFJRCSA-N 0 0 194.274 2.923 10 0 AFAERN CCC[C@]1(O)CC[C@@H](C)C[C@@H]1C 82861356 573244747 /nfs/dbraw/zinc/24/47/47/573244747.db2.gz VKXPQZYOPZRMLO-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@](O)(c2ccoc2)[C@@H]1C 82861042 573244758 /nfs/dbraw/zinc/24/47/58/573244758.db2.gz CMMDMMNUJJTMGW-CKYFFXLPSA-N 0 0 194.274 2.923 10 0 AFAERN CC[C@]1(O)CC[C@@H](C)C[C@@H]1C 82861312 573244762 /nfs/dbraw/zinc/24/47/62/573244762.db2.gz XSGFJIFCZVFPJV-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](O)C(C)(C)c1ccc(F)cc1 82864345 573244782 /nfs/dbraw/zinc/24/47/82/573244782.db2.gz OCXVLWHFDALDCA-LLVKDONJSA-N 0 0 196.265 2.874 10 0 AFAERN O=Cc1ccc(F)cc1C(F)F 116126679 573244826 /nfs/dbraw/zinc/24/48/26/573244826.db2.gz AUOQUJCFZDEZSW-UHFFFAOYSA-N 0 0 174.121 2.576 10 0 AFAERN C[C@@H]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 82861914 573244847 /nfs/dbraw/zinc/24/48/47/573244847.db2.gz VKRKUWBWPXKSGM-PRJMDXOYSA-N 0 0 196.212 2.736 10 0 AFAERN CC(C)=C(F)C(=O)OCC(C)(C)C 308320230 573244848 /nfs/dbraw/zinc/24/48/48/573244848.db2.gz AQYGENOOQJEOJR-UHFFFAOYSA-N 0 0 188.242 2.839 10 0 AFAERN CC(C)(C)OCc1ccc(F)cc1N 82864656 573244912 /nfs/dbraw/zinc/24/49/12/573244912.db2.gz ZOUSEWYAQZEUBE-UHFFFAOYSA-N 0 0 197.253 2.723 10 0 AFAERN CC[C@H](O)[C@H]1C/C1=C\c1ccccc1 238315435 573244924 /nfs/dbraw/zinc/24/49/24/573244924.db2.gz QFOYOGJMZKMOEU-DPGNGVPNSA-N 0 0 188.270 2.861 10 0 AFAERN CC(C)[C@]1(O)CCC[C@@H](C)[C@H]1C 82861124 573245006 /nfs/dbraw/zinc/24/50/06/573245006.db2.gz CUQUXRVDKVFRCR-GMTAPVOTSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)=CCOC(=O)C[C@H]1C[C@@H]1C 308320080 573245017 /nfs/dbraw/zinc/24/50/17/573245017.db2.gz XYPHBYJRTHBAEQ-VHSXEESVSA-N 0 0 182.263 2.542 10 0 AFAERN CCCC[C@@H](C)Nc1ccc(C)nn1 50889372 573245048 /nfs/dbraw/zinc/24/50/48/573245048.db2.gz ZETKPMUTTAUFOG-SECBINFHSA-N 0 0 193.294 2.776 10 0 AFAERN C/C=C\C(=O)NCCC(CC)CC 308321390 573245057 /nfs/dbraw/zinc/24/50/57/573245057.db2.gz YSUPGQMTZWWNBP-DAXSKMNVSA-N 0 0 183.295 2.505 10 0 AFAERN CCC[C@]1(O)C[C@H](C)CC[C@@H]1C 82861546 573245078 /nfs/dbraw/zinc/24/50/78/573245078.db2.gz QVXVCGVVNUEOPH-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN FC(F)(c1cc[nH]c1)C1CC1 259043848 573245092 /nfs/dbraw/zinc/24/50/92/573245092.db2.gz UESCCQMIEGWDQJ-UHFFFAOYSA-N 0 0 157.163 2.517 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@](N)(C(F)(F)F)C1 82862226 573245112 /nfs/dbraw/zinc/24/51/12/573245112.db2.gz KIZSUQBGINOKLR-PRJMDXOYSA-N 0 0 195.228 2.702 10 0 AFAERN Cc1ccc([C@@]2(CO)C[C@@H]2C)c(C)c1 259045751 573245160 /nfs/dbraw/zinc/24/51/60/573245160.db2.gz UJPOTMJSMFZNQP-WCQYABFASA-N 0 0 190.286 2.573 10 0 AFAERN CC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 82863065 573245184 /nfs/dbraw/zinc/24/51/84/573245184.db2.gz CORVCTSEIJWRHM-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN CCc1cc(C(C)=O)c(CC)cc1N 238315694 573245222 /nfs/dbraw/zinc/24/52/22/573245222.db2.gz YYEVYCYDHATRDF-UHFFFAOYSA-N 0 0 191.274 2.596 10 0 AFAERN CC[C@H](O)[C@@]1(C)CC=CCC1 238315991 573245235 /nfs/dbraw/zinc/24/52/35/573245235.db2.gz AIQHEZBFQNAGSB-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@]1(O)CCC[C@H](C)[C@@H]1C 82861118 573245239 /nfs/dbraw/zinc/24/52/39/573245239.db2.gz JMEQNSZOBPJETH-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@]1(O)CC[C@H](C)C[C@@H]1C 82861310 573245318 /nfs/dbraw/zinc/24/53/18/573245318.db2.gz XSGFJIFCZVFPJV-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CCSCc1ccc(N)cc1F 82864867 573246165 /nfs/dbraw/zinc/24/61/65/573246165.db2.gz FDQBHJUOSJCKHG-UHFFFAOYSA-N 0 0 185.267 2.661 10 0 AFAERN CCc1cc2cc(OC)c(F)cc2[nH]1 238317476 573246245 /nfs/dbraw/zinc/24/62/45/573246245.db2.gz JCAMENZGGVCZPS-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN CC[C@H](O)C(C)(C)c1ccc(F)cc1 82864344 573246248 /nfs/dbraw/zinc/24/62/48/573246248.db2.gz OCXVLWHFDALDCA-NSHDSACASA-N 0 0 196.265 2.874 10 0 AFAERN COC(=O)C1CCC2(CCC2)CC1 238317317 573246454 /nfs/dbraw/zinc/24/64/54/573246454.db2.gz UCXFSTAACPWGNN-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CNc1ccc2c(c1)C(C)(C)[C@H](C)N2 238317237 573246256 /nfs/dbraw/zinc/24/62/56/573246256.db2.gz MFALOCCVGGTOOH-QMMMGPOBSA-N 0 0 190.290 2.820 10 0 AFAERN CCC[C@]1(O)CC[C@H](C)C[C@@H]1C 82861354 573246273 /nfs/dbraw/zinc/24/62/73/573246273.db2.gz VKXPQZYOPZRMLO-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H](F)c1cccc(C2(O)CC2)c1 257977345 573246458 /nfs/dbraw/zinc/24/64/58/573246458.db2.gz JDJQLOMQYKTKEW-QMMMGPOBSA-N 0 0 180.222 2.699 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@@]12CC(=O)CCO2 82862304 573246307 /nfs/dbraw/zinc/24/63/07/573246307.db2.gz PDGRDLYYIBNXKP-JFGNBEQYSA-N 0 0 196.290 2.561 10 0 AFAERN CCc1ccccc1-c1nncs1 238316545 573246462 /nfs/dbraw/zinc/24/64/62/573246462.db2.gz GRSJKCHEHMSUGD-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN C[C@@H]1CC[C@]2(CC(=O)CCO2)[C@H](C)C1 82862310 573246364 /nfs/dbraw/zinc/24/63/64/573246364.db2.gz BLLKXQQWXNAPMG-FOGDFJRCSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1CCC[C@](O)(c2ccco2)[C@@H]1C 82861174 573246391 /nfs/dbraw/zinc/24/63/91/573246391.db2.gz GQHQQLQSZNVIEI-CKYFFXLPSA-N 0 0 194.274 2.923 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@]2(CC(=O)CCO2)C1 82862306 573246426 /nfs/dbraw/zinc/24/64/26/573246426.db2.gz PDGRDLYYIBNXKP-CKYFFXLPSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@@H]1CCC[C@@](N)(C(F)(F)F)[C@@H]1C 82862230 573246435 /nfs/dbraw/zinc/24/64/35/573246435.db2.gz UQEQWPGFCGOIES-PRJMDXOYSA-N 0 0 195.228 2.702 10 0 AFAERN Oc1ccccc1Oc1cnsc1 258610270 573247867 /nfs/dbraw/zinc/24/78/67/573247867.db2.gz QYDSUTLILXNBLH-UHFFFAOYSA-N 0 0 193.227 2.641 10 0 AFAERN C[C@H](O)Cc1cccc(C(C)(C)F)c1 257977217 573247880 /nfs/dbraw/zinc/24/78/80/573247880.db2.gz DLVPEHHWJHGLCA-VIFPVBQESA-N 0 0 196.265 2.815 10 0 AFAERN CCc1cc2cc(OC)cc(F)c2[nH]1 238317551 573247944 /nfs/dbraw/zinc/24/79/44/573247944.db2.gz NDCCMORRNDHQOL-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN CC(=O)c1nc(C2CCCCC2)c[nH]1 259049039 573248201 /nfs/dbraw/zinc/24/82/01/573248201.db2.gz IKIDOPSWEMTZSD-UHFFFAOYSA-N 0 0 192.262 2.660 10 0 AFAERN CNc1ccc2c(c1)C(C)(C)[C@@H](C)N2 238317278 573248219 /nfs/dbraw/zinc/24/82/19/573248219.db2.gz MFALOCCVGGTOOH-MRVPVSSYSA-N 0 0 190.290 2.820 10 0 AFAERN Clc1cccc(O[C@H]2CCOC2)c1 82865268 573248225 /nfs/dbraw/zinc/24/82/25/573248225.db2.gz OQGCNIYWCMODKM-JTQLQIEISA-N 0 0 198.649 2.508 10 0 AFAERN C[C@H]1c2cc(O)ccc2NC1(C)C 258247949 573248392 /nfs/dbraw/zinc/24/83/92/573248392.db2.gz RCEAJOAYQHWXKB-ZETCQYMHSA-N 0 0 177.247 2.700 10 0 AFAERN COC(=O)[C@@]1(C2CCCCC2)C[C@@H]1C 259051696 573248417 /nfs/dbraw/zinc/24/84/17/573248417.db2.gz VGPHSVVSJPWCSQ-CABZTGNLSA-N 0 0 196.290 2.766 10 0 AFAERN CCCC[C@H](O)[C@@H](C)OC(C)(C)C 215104032 573248485 /nfs/dbraw/zinc/24/84/85/573248485.db2.gz TVOHNIZQUZZRSV-ZJUUUORDSA-N 0 0 188.311 2.741 10 0 AFAERN CC(C)C(CNc1c[nH]cn1)C(C)C 308522330 573248564 /nfs/dbraw/zinc/24/85/64/573248564.db2.gz PJGRNYAYCXTPQY-UHFFFAOYSA-N 0 0 195.310 2.750 10 0 AFAERN c1cn(CCC2CC2)nc1C1CC1 308326092 573248585 /nfs/dbraw/zinc/24/85/85/573248585.db2.gz GAUFALZAURSXMW-UHFFFAOYSA-N 0 0 176.263 2.561 10 0 AFAERN Cc1ccc2occ([C@@H](C)O)c2c1 257977342 573248604 /nfs/dbraw/zinc/24/86/04/573248604.db2.gz UWRSQUULDOUZGN-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN Clc1ccc(O[C@@H]2CCOC2)cc1 82865201 573248638 /nfs/dbraw/zinc/24/86/38/573248638.db2.gz ZUZVEECETQVORE-SNVBAGLBSA-N 0 0 198.649 2.508 10 0 AFAERN Cc1ccc2c(CON)csc2c1 258244968 573248678 /nfs/dbraw/zinc/24/86/78/573248678.db2.gz QUVBOYJVPXZSJK-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN OC[C@H]1CCC/C1=C/c1ccccc1 215103876 573248753 /nfs/dbraw/zinc/24/87/53/573248753.db2.gz LDQPDGZIOYHYLR-KIWPFMIBSA-N 0 0 188.270 2.862 10 0 AFAERN CCc1cc2cc(F)c(OC)cc2[nH]1 238317202 573248760 /nfs/dbraw/zinc/24/87/60/573248760.db2.gz PGMNTTQDDBNTHA-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN CC(=O)Cc1cc2ccccc2nc1C 257767974 573248785 /nfs/dbraw/zinc/24/87/85/573248785.db2.gz CUZGCBMJBZRFBN-UHFFFAOYSA-N 0 0 199.253 2.675 10 0 AFAERN CCCC[C@@H](O)[C@@H](C)OC(C)(C)C 215104076 573248878 /nfs/dbraw/zinc/24/88/78/573248878.db2.gz TVOHNIZQUZZRSV-NXEZZACHSA-N 0 0 188.311 2.741 10 0 AFAERN CCCOc1ccccc1C(C)(C)O 132235341 573248895 /nfs/dbraw/zinc/24/88/95/573248895.db2.gz OAQLQILNBLYFGW-UHFFFAOYSA-N 0 0 194.274 2.703 10 0 AFAERN Cc1cccc(OC2CCOCC2)c1 82865209 573249001 /nfs/dbraw/zinc/24/90/01/573249001.db2.gz LILDLZGCQIYZKU-UHFFFAOYSA-N 0 0 192.258 2.553 10 0 AFAERN CCCC[C@H](O)[C@H](C)OC(C)(C)C 215104119 573249108 /nfs/dbraw/zinc/24/91/08/573249108.db2.gz TVOHNIZQUZZRSV-UWVGGRQHSA-N 0 0 188.311 2.741 10 0 AFAERN CO[C@H](C(=O)CC1CCC1)C(C)(C)C 132231086 573249128 /nfs/dbraw/zinc/24/91/28/573249128.db2.gz SJCWVIAJYWCUQS-LLVKDONJSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cccc(-c2ccncc2)c1O 116136372 573249889 /nfs/dbraw/zinc/24/98/89/573249889.db2.gz HFMUEUYXQOCZRY-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CC[C@H](O)/C=C/C[Si](C)(C)C 238316526 573250052 /nfs/dbraw/zinc/25/00/52/573250052.db2.gz WCKXTKDIXIXSFK-UCUJLANTSA-N 0 0 172.344 2.652 10 0 AFAERN CSCc1cccc2c1CCN2 258246321 573250076 /nfs/dbraw/zinc/25/00/76/573250076.db2.gz SQNXQQDZZCZEIU-UHFFFAOYSA-N 0 0 179.288 2.518 10 0 AFAERN Cc1ccccc1OC1CCOCC1 82865101 573250184 /nfs/dbraw/zinc/25/01/84/573250184.db2.gz KHVGOEWXDNPICJ-UHFFFAOYSA-N 0 0 192.258 2.553 10 0 AFAERN CCn1cc(CSC(C)C)nc1C 258247706 573251174 /nfs/dbraw/zinc/25/11/74/573251174.db2.gz QZRHNMJWGQAISF-UHFFFAOYSA-N 0 0 198.335 2.853 10 0 AFAERN C[C@H](O)c1csc([C@@H]2CC2(C)C)n1 235551831 573251203 /nfs/dbraw/zinc/25/12/03/573251203.db2.gz JSAHVJMGUJJZEZ-BQBZGAKWSA-N 0 0 197.303 2.710 10 0 AFAERN CCCCNc1ccc(NC)cc1 259391676 573251279 /nfs/dbraw/zinc/25/12/79/573251279.db2.gz WYHDUBUQVMFRMM-UHFFFAOYSA-N 0 0 178.279 2.940 10 0 AFAERN CC[C@H]1Nc2cc(O)ccc2C[C@@H]1C 238318596 573251306 /nfs/dbraw/zinc/25/13/06/573251306.db2.gz UDFPCHGDMLLOTL-GZMMTYOYSA-N 0 0 191.274 2.775 10 0 AFAERN CC[C@H](O)c1cc2ccccc2cn1 238318615 573251323 /nfs/dbraw/zinc/25/13/23/573251323.db2.gz PUMUDHMWOHUZOR-LBPRGKRZSA-N 0 0 187.242 2.678 10 0 AFAERN CCc1cccc(CC)c1CC(C)=O 257979296 573251490 /nfs/dbraw/zinc/25/14/90/573251490.db2.gz DOZVSLOAIKVHJG-UHFFFAOYSA-N 0 0 190.286 2.943 10 0 AFAERN Cc1coc([C@H](O)[C@H](C)C(C)C)c1 715742903 573251445 /nfs/dbraw/zinc/25/14/45/573251445.db2.gz FXKPXRNGSOGNRG-MWLCHTKSSA-N 0 0 182.263 2.914 10 0 AFAERN COc1ccccc1-c1cc(C)no1 259055454 573252480 /nfs/dbraw/zinc/25/24/80/573252480.db2.gz AXBMMAARSLSTSA-UHFFFAOYSA-N 0 0 189.214 2.659 10 0 AFAERN CC(C)CNc1ccc(O)c(F)c1 82878764 573252326 /nfs/dbraw/zinc/25/23/26/573252326.db2.gz JHOVXAPZAXRKOS-UHFFFAOYSA-N 0 0 183.226 2.599 10 0 AFAERN CC[C@H]1Nc2ccccc2[C@]1(C)OC 238318860 573252353 /nfs/dbraw/zinc/25/23/53/573252353.db2.gz VEBPATCGCMJQFT-NEPJUHHUSA-N 0 0 191.274 2.752 10 0 AFAERN Cc1coc([C@@H](O)[C@@H](C)C(C)C)c1 715742904 573252410 /nfs/dbraw/zinc/25/24/10/573252410.db2.gz FXKPXRNGSOGNRG-ONGXEEELSA-N 0 0 182.263 2.914 10 0 AFAERN CONCc1cccc(C(C)(C)F)c1 257979452 573252495 /nfs/dbraw/zinc/25/24/95/573252495.db2.gz DRAPVUHNTRESKP-UHFFFAOYSA-N 0 0 197.253 2.542 10 0 AFAERN CCn1c([C@@H](C)O)cc2ccccc21 257979876 573252621 /nfs/dbraw/zinc/25/26/21/573252621.db2.gz VDISCBBZDUOTPL-SECBINFHSA-N 0 0 189.258 2.715 10 0 AFAERN CC[C@@H](C)Nc1ccc(O)c(F)c1 82878500 573252698 /nfs/dbraw/zinc/25/26/98/573252698.db2.gz DVLKHKCTKNDLLR-SSDOTTSWSA-N 0 0 183.226 2.742 10 0 AFAERN CCOCCCC1=C[C@H](O)C[C@H](C)C1 308529785 573252913 /nfs/dbraw/zinc/25/29/13/573252913.db2.gz QGARTVUDNZANMT-ZYHUDNBSSA-N 0 0 198.306 2.520 10 0 AFAERN CC(C)(F)Oc1cccc2c1CCN2 257979684 573252959 /nfs/dbraw/zinc/25/29/59/573252959.db2.gz KTKKGDGAVAMRMT-UHFFFAOYSA-N 0 0 195.237 2.739 10 0 AFAERN CC(C)=CCCN[C@@H](C)C(F)(F)F 308328995 573252968 /nfs/dbraw/zinc/25/29/68/573252968.db2.gz JCMKMJWAVYPQEA-QMMMGPOBSA-N 0 0 195.228 2.883 10 0 AFAERN CCN(C)c1cc(C)c(C)cc1OC 259055957 573252979 /nfs/dbraw/zinc/25/29/79/573252979.db2.gz KNDGHAROKOPBOT-UHFFFAOYSA-N 0 0 193.290 2.768 10 0 AFAERN CC[C@@H]1C=CCc2ccccc2N1 238318756 573253029 /nfs/dbraw/zinc/25/30/29/573253029.db2.gz QDWQTKSANPNMAB-LLVKDONJSA-N 0 0 173.259 2.989 10 0 AFAERN C[C@@H](Nc1ccc(O)c(F)c1)C1CC1 82878575 573253036 /nfs/dbraw/zinc/25/30/36/573253036.db2.gz FCWZECDKDAVWCC-SSDOTTSWSA-N 0 0 195.237 2.742 10 0 AFAERN CC(=O)c1cc(C)c(C)cc1N(C)C 259393671 573253102 /nfs/dbraw/zinc/25/31/02/573253102.db2.gz IUTCCFLBBPOIHH-UHFFFAOYSA-N 0 0 191.274 2.572 10 0 AFAERN Cc1cc(C)c(C(C)(C)O)c(F)c1 235748488 573253617 /nfs/dbraw/zinc/25/36/17/573253617.db2.gz BIRPVPBDPGLMRN-UHFFFAOYSA-N 0 0 182.238 2.670 10 0 AFAERN O=C(Cc1ccoc1)c1ccccc1 116208981 573253191 /nfs/dbraw/zinc/25/31/91/573253191.db2.gz SCZKAQIZHIMAFK-UHFFFAOYSA-N 0 0 186.210 2.705 10 0 AFAERN CCc1ccc(OC)c(N(C)CC)c1 259055854 573253306 /nfs/dbraw/zinc/25/33/06/573253306.db2.gz KLQAYNJNLBNULZ-UHFFFAOYSA-N 0 0 193.290 2.714 10 0 AFAERN CCCCCc1csc(NC)n1 258611277 573253341 /nfs/dbraw/zinc/25/33/41/573253341.db2.gz AVQSCKQAHGPJLQ-UHFFFAOYSA-N 0 0 184.308 2.918 10 0 AFAERN Cc1coc([C@@H](O)[C@H](C)C(C)C)c1 715742902 573253366 /nfs/dbraw/zinc/25/33/66/573253366.db2.gz FXKPXRNGSOGNRG-KOLCDFICSA-N 0 0 182.263 2.914 10 0 AFAERN CSc1cc(C(C)=O)ccc1F 257979409 573253367 /nfs/dbraw/zinc/25/33/67/573253367.db2.gz DQIQIKWUYOAKRK-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN CC[C@H]1Nc2ccccc2C(=O)[C@H]1C 238318694 573253379 /nfs/dbraw/zinc/25/33/79/573253379.db2.gz BQOQMZFXQILCAR-WCBMZHEXSA-N 0 0 189.258 2.710 10 0 AFAERN CNc1ccc2nc(Cl)sc2c1 238318290 573253387 /nfs/dbraw/zinc/25/33/87/573253387.db2.gz XNHMDQDZLKLXIG-UHFFFAOYSA-N 0 0 198.678 2.991 10 0 AFAERN CCc1cc2coccc-2c1N 238318877 573253476 /nfs/dbraw/zinc/25/34/76/573253476.db2.gz OMQDADIHDBGBQW-UHFFFAOYSA-N 0 0 161.204 2.529 10 0 AFAERN CCC[C@H](C1CC1)n1ncc(C)c1N 308530412 573253575 /nfs/dbraw/zinc/25/35/75/573253575.db2.gz JXKWIIAGCDAIPB-SNVBAGLBSA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@H](C)[C@](C)(O)c1cc(C)co1 715742339 573254032 /nfs/dbraw/zinc/25/40/32/573254032.db2.gz CEIBGAXWPZGWFG-ONGXEEELSA-N 0 0 182.263 2.842 10 0 AFAERN CC(C)CCNc1ccc(O)c(F)c1 82878643 573254079 /nfs/dbraw/zinc/25/40/79/573254079.db2.gz JKUMRBNUNJTEAX-UHFFFAOYSA-N 0 0 197.253 2.989 10 0 AFAERN CC(C)Cc1cnc(Cl)o1 258612586 573254093 /nfs/dbraw/zinc/25/40/93/573254093.db2.gz UBRNGBNDCWLKQY-UHFFFAOYSA-N 0 0 159.616 2.527 10 0 AFAERN C[C@@H]1CCCc2ccc(CON)cc21 257979182 573254152 /nfs/dbraw/zinc/25/41/52/573254152.db2.gz DNIAQEYYEYKQHS-SECBINFHSA-N 0 0 191.274 2.517 10 0 AFAERN C[C@H](Nc1ccc(O)c(F)c1)C1CC1 82878573 573254169 /nfs/dbraw/zinc/25/41/69/573254169.db2.gz FCWZECDKDAVWCC-ZETCQYMHSA-N 0 0 195.237 2.742 10 0 AFAERN OCC1=C[C@H]2C[C@@H](C1)c1ccccc12 222966493 573254174 /nfs/dbraw/zinc/25/41/74/573254174.db2.gz UMOFSFSICWJJRH-WDEREUQCSA-N 0 0 186.254 2.580 10 0 AFAERN Oc1ccc(NC2CCCC2)cc1F 82878529 573254254 /nfs/dbraw/zinc/25/42/54/573254254.db2.gz GYDSZDVYPYQNIK-UHFFFAOYSA-N 0 0 195.237 2.886 10 0 AFAERN CCc1cc(Cl)cc(C[C@H](C)O)c1 258260175 573254265 /nfs/dbraw/zinc/25/42/65/573254265.db2.gz YIAFUKHFYPFFHR-QMMMGPOBSA-N 0 0 198.693 2.826 10 0 AFAERN CCc1cc2cnoc2cc1C 238318726 573254313 /nfs/dbraw/zinc/25/43/13/573254313.db2.gz BMEUAWPVSOAXFS-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CC[C@H]1Nc2ccccc2C(=O)[C@@H]1C 238318681 573254323 /nfs/dbraw/zinc/25/43/23/573254323.db2.gz BQOQMZFXQILCAR-PSASIEDQSA-N 0 0 189.258 2.710 10 0 AFAERN C=Cc1cc(C=O)sc1C 642883838 573254328 /nfs/dbraw/zinc/25/43/28/573254328.db2.gz PNZKFYFPYGMJHX-UHFFFAOYSA-N 0 0 152.218 2.512 10 0 AFAERN COCc1cc(Cl)ccc1C(C)=O 258260213 573254329 /nfs/dbraw/zinc/25/43/29/573254329.db2.gz YIUWCBSVNHEEMH-UHFFFAOYSA-N 0 0 198.649 2.689 10 0 AFAERN CC(C)=CCCN[C@H](C)C(F)(F)F 308328994 573255307 /nfs/dbraw/zinc/25/53/07/573255307.db2.gz JCMKMJWAVYPQEA-MRVPVSSYSA-N 0 0 195.228 2.883 10 0 AFAERN CCc1cc2ccc(F)c(OC)c2[nH]1 238318129 573254393 /nfs/dbraw/zinc/25/43/93/573254393.db2.gz MZKCWILDLDMHEK-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN CC[C@@H]1N=Nc2ccccc2N1 238318805 573254400 /nfs/dbraw/zinc/25/44/00/573254400.db2.gz OZKNQDSEEUPZOA-VIFPVBQESA-N 0 0 161.208 2.932 10 0 AFAERN CC/C=C/C(=O)OCC=C1CCC1 308328239 573254405 /nfs/dbraw/zinc/25/44/05/573254405.db2.gz HBCLVUJTPJIWBE-XVNBXDOJSA-N 0 0 180.247 2.606 10 0 AFAERN CC[C@H]1Nc2ccccc2N=C1C 238318789 573254406 /nfs/dbraw/zinc/25/44/06/573254406.db2.gz ZABNXCABCSUQNK-SECBINFHSA-N 0 0 174.247 2.983 10 0 AFAERN CCOCCCC1=C[C@@H](O)C[C@H](C)C1 308529779 573254508 /nfs/dbraw/zinc/25/45/08/573254508.db2.gz QGARTVUDNZANMT-PWSUYJOCSA-N 0 0 198.306 2.520 10 0 AFAERN CNc1ccc2nc(Cl)ccc2c1 238318271 573254537 /nfs/dbraw/zinc/25/45/37/573254537.db2.gz RTIJUQVDVNXDFL-UHFFFAOYSA-N 0 0 192.649 2.930 10 0 AFAERN CC[C@H](C)CNc1ccc(O)c(F)c1 82878687 573254708 /nfs/dbraw/zinc/25/47/08/573254708.db2.gz BPWMTOJAODJJTP-QMMMGPOBSA-N 0 0 197.253 2.989 10 0 AFAERN CCn1cc(C)c2ccc(C=O)cc21 258259486 573254721 /nfs/dbraw/zinc/25/47/21/573254721.db2.gz YIMNIPVFPCTBDC-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN CC[C@@H](C(N)=O)C1=C(C)C(C)(C)CC1 238317982 573254746 /nfs/dbraw/zinc/25/47/46/573254746.db2.gz SCEHCBKQPKQYJU-SECBINFHSA-N 0 0 195.306 2.634 10 0 AFAERN COc1c(C)cc(C)c(Cl)c1C=O 258250235 573254787 /nfs/dbraw/zinc/25/47/87/573254787.db2.gz XRDQIMWHBSARGV-UHFFFAOYSA-N 0 0 198.649 2.778 10 0 AFAERN CC[C@H]1Nc2cc(Cl)ccc2O1 238318540 573254876 /nfs/dbraw/zinc/25/48/76/573254876.db2.gz RVKMDALEJYCHGI-VIFPVBQESA-N 0 0 183.638 2.880 10 0 AFAERN Cc1cc2c(CON)cccc2s1 257979637 573254907 /nfs/dbraw/zinc/25/49/07/573254907.db2.gz HBSBMAAYNLEFRX-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN C[C@H]1CCc2cnc(C(C)(C)C)n2C1 258250178 573254989 /nfs/dbraw/zinc/25/49/89/573254989.db2.gz MIASURHQAPEUME-VIFPVBQESA-N 0 0 192.306 2.763 10 0 AFAERN C[C@H]1CCCc2ccc(CON)cc21 257979184 573255014 /nfs/dbraw/zinc/25/50/14/573255014.db2.gz DNIAQEYYEYKQHS-VIFPVBQESA-N 0 0 191.274 2.517 10 0 AFAERN CCCCNc1ccc(O)c(F)c1 82878714 573255106 /nfs/dbraw/zinc/25/51/06/573255106.db2.gz CEUXULFJRNCSEU-UHFFFAOYSA-N 0 0 183.226 2.743 10 0 AFAERN CCc1cc(CC(C)=O)ccc1F 258120116 573255114 /nfs/dbraw/zinc/25/51/14/573255114.db2.gz ZVEWPBXEXTVLKG-UHFFFAOYSA-N 0 0 180.222 2.520 10 0 AFAERN CCC[C@@H](C1CC1)n1ncc(C)c1N 308530411 573255133 /nfs/dbraw/zinc/25/51/33/573255133.db2.gz JXKWIIAGCDAIPB-JTQLQIEISA-N 0 0 193.294 2.525 10 0 AFAERN CCc1cc2ccc(OC)c(F)c2[nH]1 238318318 573255213 /nfs/dbraw/zinc/25/52/13/573255213.db2.gz FODZTHGMFDWPNN-UHFFFAOYSA-N 0 0 193.221 2.878 10 0 AFAERN O=C(CC1CC1)c1ccc(Cl)o1 236056001 573255253 /nfs/dbraw/zinc/25/52/53/573255253.db2.gz LBFGHUPKBIQMHZ-UHFFFAOYSA-N 0 0 184.622 2.916 10 0 AFAERN CCn1c([C@H](C)O)cc2ccccc21 257979881 573255254 /nfs/dbraw/zinc/25/52/54/573255254.db2.gz VDISCBBZDUOTPL-VIFPVBQESA-N 0 0 189.258 2.715 10 0 AFAERN CC(=O)c1c(Cl)cc(C)c(O)c1C 258250117 573255840 /nfs/dbraw/zinc/25/58/40/573255840.db2.gz XMVQLSUCMRSHOS-UHFFFAOYSA-N 0 0 198.649 2.865 10 0 AFAERN CC(C)(C)CNc1ccc(O)c(F)c1 82878698 573255891 /nfs/dbraw/zinc/25/58/91/573255891.db2.gz NMYIOJHFTUHXMS-UHFFFAOYSA-N 0 0 197.253 2.989 10 0 AFAERN CCN(C)c1cc(C)cc(C)c1OC 259055804 573255947 /nfs/dbraw/zinc/25/59/47/573255947.db2.gz KKSCNAGXRRFEOK-UHFFFAOYSA-N 0 0 193.290 2.768 10 0 AFAERN CC[C@@H](C)CNc1ccc(O)c(F)c1 82878685 573256121 /nfs/dbraw/zinc/25/61/21/573256121.db2.gz BPWMTOJAODJJTP-MRVPVSSYSA-N 0 0 197.253 2.989 10 0 AFAERN CC(C)[C@@H](C)Nc1ccc(O)c(F)c1 82878611 573256133 /nfs/dbraw/zinc/25/61/33/573256133.db2.gz UPQJEBZBMBSHKD-MRVPVSSYSA-N 0 0 197.253 2.988 10 0 AFAERN CCn1cc(C)c2cccc(C=O)c21 257981513 573256380 /nfs/dbraw/zinc/25/63/80/573256380.db2.gz HFKTVKYWHQLJFO-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN CC[C@H](C)Nc1ccc(O)c(F)c1 82878502 573256429 /nfs/dbraw/zinc/25/64/29/573256429.db2.gz DVLKHKCTKNDLLR-ZETCQYMHSA-N 0 0 183.226 2.742 10 0 AFAERN CC[C@]1(C)Nc2ccccc2C(=N)O1 238319206 573256434 /nfs/dbraw/zinc/25/64/34/573256434.db2.gz PPGHGDWTUJVGJJ-LLVKDONJSA-N 0 0 190.246 2.580 10 0 AFAERN Cn1nccc1-c1ccc(Cl)s1 259055525 573256649 /nfs/dbraw/zinc/25/66/49/573256649.db2.gz AYQKTBUUCQAKDU-UHFFFAOYSA-N 0 0 198.678 2.802 10 0 AFAERN C[C@@H]1CCc2cnc(C(C)(C)C)n2C1 258250177 573256676 /nfs/dbraw/zinc/25/66/76/573256676.db2.gz MIASURHQAPEUME-SECBINFHSA-N 0 0 192.306 2.763 10 0 AFAERN Cc1coc([C@H](O)[C@@H](C)C(C)C)c1 715742901 573256697 /nfs/dbraw/zinc/25/66/97/573256697.db2.gz FXKPXRNGSOGNRG-GXSJLCMTSA-N 0 0 182.263 2.914 10 0 AFAERN CCc1cc2[nH]c(=S)[nH]c2cc1C 238319203 573256703 /nfs/dbraw/zinc/25/67/03/573256703.db2.gz JMBQKYDNYPNUSY-UHFFFAOYSA-N 0 0 192.287 2.722 10 0 AFAERN FC1CCC(F)(F)CC1 116276421 573257459 /nfs/dbraw/zinc/25/74/59/573257459.db2.gz LBIQZIJRSOGYPO-UHFFFAOYSA-N 0 0 138.132 2.534 10 0 AFAERN COC(=O)N[C@@]1(C)CC[C@H](C(C)C)C1 238319051 573257615 /nfs/dbraw/zinc/25/76/15/573257615.db2.gz XNXUFIVUKGXKLV-ONGXEEELSA-N 0 0 199.294 2.557 10 0 AFAERN CCNc1nccc2ccccc12 116320304 573257626 /nfs/dbraw/zinc/25/76/26/573257626.db2.gz NYBRYEMCDBQKPC-UHFFFAOYSA-N 0 0 172.231 2.667 10 0 AFAERN Cc1[nH]c(C2CCCCC2)cc1CO 259061377 573259380 /nfs/dbraw/zinc/25/93/80/573259380.db2.gz DQEWSECRLIRMGL-UHFFFAOYSA-N 0 0 193.290 2.863 10 0 AFAERN Cc1ccc(O)c([C@H](C)CCCO)c1 238422941 573259399 /nfs/dbraw/zinc/25/93/99/573259399.db2.gz RDYXQUZPYPDYQY-SNVBAGLBSA-N 0 0 194.274 2.577 10 0 AFAERN CCSc1ncc(C)n1C(C)C 258262945 573259413 /nfs/dbraw/zinc/25/94/13/573259413.db2.gz SCCPCEPLENKSCB-UHFFFAOYSA-N 0 0 184.308 2.884 10 0 AFAERN Fc1ccc(Cl)c2c1OCC=C2 116292487 573259501 /nfs/dbraw/zinc/25/95/01/573259501.db2.gz SFUVVKGBHDCVGU-UHFFFAOYSA-N 0 0 184.597 2.885 10 0 AFAERN CO[C@@H]1CCCc2c(F)ccc(F)c21 238326234 573259508 /nfs/dbraw/zinc/25/95/08/573259508.db2.gz INFOJYKQUPPQLD-SNVBAGLBSA-N 0 0 198.212 2.989 10 0 AFAERN CN1C=CS[C@@H]1Nc1ccccc1 238326991 573259689 /nfs/dbraw/zinc/25/96/89/573259689.db2.gz YLHGRNNDSXPRGI-SNVBAGLBSA-N 0 0 192.287 2.532 10 0 AFAERN Cc1cc(OC(C)(C)C)c(N)cc1F 235750676 573260074 /nfs/dbraw/zinc/26/00/74/573260074.db2.gz SNPQZMAUYOVRAI-UHFFFAOYSA-N 0 0 197.253 2.894 10 0 AFAERN COc1c(NC2CC2)ccc(F)c1F 142391066 573260075 /nfs/dbraw/zinc/26/00/75/573260075.db2.gz FDSCBUCILJMZFC-UHFFFAOYSA-N 0 0 199.200 2.548 10 0 AFAERN CCOCc1cc2c(N)cccc2o1 257982155 573260118 /nfs/dbraw/zinc/26/01/18/573260118.db2.gz JOVGCEGTOSMWEI-UHFFFAOYSA-N 0 0 191.230 2.552 10 0 AFAERN Nc1csc2nsc(Cl)c12 82888939 573260260 /nfs/dbraw/zinc/26/02/60/573260260.db2.gz RIRNCNZNRRHTGI-UHFFFAOYSA-N 0 0 190.680 2.593 10 0 AFAERN CO[C@@H]1CCCc2cc(O)c(C)cc21 238326256 573260281 /nfs/dbraw/zinc/26/02/81/573260281.db2.gz HYNWPSKXSDGLOI-GFCCVEGCSA-N 0 0 192.258 2.724 10 0 AFAERN COc1ccc2c(c1)[C@@H](O)CC=C2C 142327077 573260304 /nfs/dbraw/zinc/26/03/04/573260304.db2.gz KRJVIIJQEJMKFN-LBPRGKRZSA-N 0 0 190.242 2.536 10 0 AFAERN C[C@]12CCC=C(CO)[C@@H]1CCCC2 211215857 573260340 /nfs/dbraw/zinc/26/03/40/573260340.db2.gz FKPXKGVBNYALTC-RYUDHWBXSA-N 0 0 180.291 2.895 10 0 AFAERN Cc1c[nH]c2c([C@H](C)O)cccc12 258261744 573260376 /nfs/dbraw/zinc/26/03/76/573260376.db2.gz YMCIOHWLNURACD-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN CCC[C@](O)(CC)c1cc(C)co1 715742984 573260613 /nfs/dbraw/zinc/26/06/13/573260613.db2.gz GQMGFDXYZRWILK-LLVKDONJSA-N 0 0 182.263 2.986 10 0 AFAERN C[C@H](O)c1ccc2cccccc1-2 142336425 573260696 /nfs/dbraw/zinc/26/06/96/573260696.db2.gz JHOKCEKMCYWJQM-VIFPVBQESA-N 0 0 172.227 2.845 10 0 AFAERN CC(C)[C@@H]1[C@H](C)CC(=O)[C@@H]1C 142332309 573260833 /nfs/dbraw/zinc/26/08/33/573260833.db2.gz WOTFBFKEGRBVSY-KHQFGBGNSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cc2c(F)c(F)c(F)cc2[nH]1 86085353 573260856 /nfs/dbraw/zinc/26/08/56/573260856.db2.gz ACXULIYQTGGRCP-UHFFFAOYSA-N 0 0 185.148 2.894 10 0 AFAERN CCCCNc1cnccc1Cl 116322205 573260975 /nfs/dbraw/zinc/26/09/75/573260975.db2.gz WTEQVSRUPFWPNP-UHFFFAOYSA-N 0 0 184.670 2.947 10 0 AFAERN CC[C@@H](C)NC(=O)C1CCC(C)CC1 116290678 573260901 /nfs/dbraw/zinc/26/09/01/573260901.db2.gz CMAXFWLBBIIBNX-HSOILSAZSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1cccc2c(CON)csc12 258262541 573261648 /nfs/dbraw/zinc/26/16/48/573261648.db2.gz RXONOUZJQGYMRZ-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN CC1(C)CCC[C@]2(C)[C@@H](O)CC[C@H]12 142318174 573261660 /nfs/dbraw/zinc/26/16/60/573261660.db2.gz MATWCODUVQFDMX-SCVCMEIPSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H](O)c1ccc2cccccc1-2 142336206 573261728 /nfs/dbraw/zinc/26/17/28/573261728.db2.gz JHOKCEKMCYWJQM-SECBINFHSA-N 0 0 172.227 2.845 10 0 AFAERN C[C@H](F)c1cccnc1Cl 258488346 573261805 /nfs/dbraw/zinc/26/18/05/573261805.db2.gz JTOIPWLSTYAQFT-YFKPBYRVSA-N 0 0 159.591 2.766 10 0 AFAERN COC(=O)[C@@]1(C(C)(C)C)CC1(C)C 259059102 573261853 /nfs/dbraw/zinc/26/18/53/573261853.db2.gz WLMYLHOGERYYDK-LLVKDONJSA-N 0 0 184.279 2.622 10 0 AFAERN Cc1cccnc1-c1ccc(O)cc1 142343358 573261906 /nfs/dbraw/zinc/26/19/06/573261906.db2.gz HOOPOKSSGGEPCM-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN c1ccc(CONCCC2CC2)cc1 82890294 573262189 /nfs/dbraw/zinc/26/21/89/573262189.db2.gz KJQQDYQVULHUPP-UHFFFAOYSA-N 0 0 191.274 2.508 10 0 AFAERN CN1CC(=O)N=C1C1CCCCCC1 236061510 573262213 /nfs/dbraw/zinc/26/22/13/573262213.db2.gz VVWNGBLIVPVKBT-UHFFFAOYSA-N 0 0 194.278 2.564 10 0 AFAERN CCC(CC)C(=O)c1cn(CC)cn1 308531177 573262223 /nfs/dbraw/zinc/26/22/23/573262223.db2.gz KDNHIDBAEQHBDQ-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CC(C)=CC(=O)OCCC(C)(F)F 308331575 573262241 /nfs/dbraw/zinc/26/22/41/573262241.db2.gz KYGOFLMIMZVBNB-UHFFFAOYSA-N 0 0 192.205 2.541 10 0 AFAERN Cc1coc([C@@](C)(O)CC(C)C)c1 715745134 573262368 /nfs/dbraw/zinc/26/23/68/573262368.db2.gz PBDVJCWMZGTDAG-NSHDSACASA-N 0 0 182.263 2.842 10 0 AFAERN CCc1cc(C)cc2c1NCCC2=O 238320405 573263218 /nfs/dbraw/zinc/26/32/18/573263218.db2.gz OAGLZLVAMPFWDB-UHFFFAOYSA-N 0 0 189.258 2.556 10 0 AFAERN CC1(C)CCc2cc(O)ccc21 116348123 573263276 /nfs/dbraw/zinc/26/32/76/573263276.db2.gz REJUADUBWMTPSU-UHFFFAOYSA-N 0 0 162.232 2.616 10 0 AFAERN O[C@@H](c1ccco1)[C@H]1C=CCCC1 142413784 573263324 /nfs/dbraw/zinc/26/33/24/573263324.db2.gz HXAXVMCKLJYFDP-GXSJLCMTSA-N 0 0 178.231 2.669 10 0 AFAERN CNc1cc(C)cc([Si](C)(C)C)c1 238326947 573263400 /nfs/dbraw/zinc/26/34/00/573263400.db2.gz RVQKVGZPWJKOSZ-UHFFFAOYSA-N 0 0 193.366 2.582 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2Cl 142415886 573263466 /nfs/dbraw/zinc/26/34/66/573263466.db2.gz TYKNIXUIZSBZSO-MHYGZLNHSA-N 0 0 186.682 2.619 10 0 AFAERN CONCc1ccccc1C(C)(C)F 257984871 573263413 /nfs/dbraw/zinc/26/34/13/573263413.db2.gz FBZIFIUULJEHDZ-UHFFFAOYSA-N 0 0 197.253 2.542 10 0 AFAERN CC1(C)CCc2cc(O)c(F)cc21 116349465 573263424 /nfs/dbraw/zinc/26/34/24/573263424.db2.gz NTWCGXFFVDIHGT-UHFFFAOYSA-N 0 0 180.222 2.755 10 0 AFAERN COC(=O)[C@@H](c1ccc(C)o1)C(C)C 259397909 573263552 /nfs/dbraw/zinc/26/35/52/573263552.db2.gz WSWGEZIKECCPJS-SNVBAGLBSA-N 0 0 196.246 2.501 10 0 AFAERN CCCc1ccc(C=O)c(F)c1F 142414595 573263609 /nfs/dbraw/zinc/26/36/09/573263609.db2.gz JIEGBBYZAGFLBB-UHFFFAOYSA-N 0 0 184.185 2.730 10 0 AFAERN C=Cc1ccc(C(F)F)nc1 116346744 573263703 /nfs/dbraw/zinc/26/37/03/573263703.db2.gz BZZLGXNMQKULTA-UHFFFAOYSA-N 0 0 155.147 2.662 10 0 AFAERN CCc1ccc(C(C)C)c(CNO)c1 257984900 573263930 /nfs/dbraw/zinc/26/39/30/573263930.db2.gz FCIWVRBILDPBJS-UHFFFAOYSA-N 0 0 193.290 2.851 10 0 AFAERN CCOC(=O)/C(C)=C(/C)[C@@H](C)CC 208551365 573263985 /nfs/dbraw/zinc/26/39/85/573263985.db2.gz QUWAPTCYJZSIME-HHHOFRBGSA-N 0 0 184.279 2.932 10 0 AFAERN CC(=O)c1c[nH]c(CCC(C)(C)C)n1 308531157 573264011 /nfs/dbraw/zinc/26/40/11/573264011.db2.gz KDBFZRVAHHLBNN-UHFFFAOYSA-N 0 0 194.278 2.591 10 0 AFAERN CC(F)(F)Oc1cccc2c1CCN2 257981885 573264220 /nfs/dbraw/zinc/26/42/20/573264220.db2.gz LAUSOYLELZRGGV-UHFFFAOYSA-N 0 0 199.200 2.646 10 0 AFAERN COCc1ccc(SC)c(C)c1 238327256 573264335 /nfs/dbraw/zinc/26/43/35/573264335.db2.gz VPXYIZIHGMQMTA-UHFFFAOYSA-N 0 0 182.288 2.863 10 0 AFAERN CCc1ccc(Cl)cc1[C@@H](C)CO 258265601 573264386 /nfs/dbraw/zinc/26/43/86/573264386.db2.gz YVAFVAHLDTYUGA-QMMMGPOBSA-N 0 0 198.693 2.998 10 0 AFAERN CC[C@@H](O)[C@H]1CC=C(C)CC1 142362782 573264439 /nfs/dbraw/zinc/26/44/39/573264439.db2.gz FUIDPFVFDBDTSL-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN CCc1cncc2cc(C(C)=O)ccc12 258267982 573264517 /nfs/dbraw/zinc/26/45/17/573264517.db2.gz ZAKDQLREGXRBIO-UHFFFAOYSA-N 0 0 199.253 3.000 10 0 AFAERN CCC[C@@H](C)C[C@@H](N)C(F)(F)F 126007553 573264783 /nfs/dbraw/zinc/26/47/83/573264783.db2.gz RYMXVMUNEOGZKV-RNFRBKRXSA-N 0 0 183.217 2.702 10 0 AFAERN CSCc1c[nH]c2cccc(O)c12 258615029 573264807 /nfs/dbraw/zinc/26/48/07/573264807.db2.gz KOARCWDUGNTDAH-UHFFFAOYSA-N 0 0 193.271 2.737 10 0 AFAERN Cc1cc(O)c(C(C)C)c2ocnc12 116342778 573264907 /nfs/dbraw/zinc/26/49/07/573264907.db2.gz QENGOWDTQBNQOV-UHFFFAOYSA-N 0 0 191.230 2.965 10 0 AFAERN Cc1cc(-c2ccncc2)c(N)s1 105554877 573264910 /nfs/dbraw/zinc/26/49/10/573264910.db2.gz HOPPZRPMPCNGIC-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN COCc1ccc(SC)cc1C 238327398 573264919 /nfs/dbraw/zinc/26/49/19/573264919.db2.gz BGDFPTKAHKEMDX-UHFFFAOYSA-N 0 0 182.288 2.863 10 0 AFAERN CSc1ccc(N)c(Cl)c1F 142404532 573265352 /nfs/dbraw/zinc/26/53/52/573265352.db2.gz KICAZSRDCBLXJK-UHFFFAOYSA-N 0 0 191.658 2.783 10 0 AFAERN CCC[C@@H](C)C[C@H](N)C(F)(F)F 126007041 573265448 /nfs/dbraw/zinc/26/54/48/573265448.db2.gz RYMXVMUNEOGZKV-RQJHMYQMSA-N 0 0 183.217 2.702 10 0 AFAERN OCCCSC1CCCCCC1 129268938 573265476 /nfs/dbraw/zinc/26/54/76/573265476.db2.gz VPSVLUFAMWBPBC-UHFFFAOYSA-N 0 0 188.336 2.825 10 0 AFAERN Cc1cc(C=O)c(C)n1CC1(C)CC1 235751917 573265492 /nfs/dbraw/zinc/26/54/92/573265492.db2.gz FZILYABMEPYPDJ-UHFFFAOYSA-N 0 0 191.274 2.718 10 0 AFAERN CCc1ccc(C)cc1[C@@H](C)O 257986584 573265661 /nfs/dbraw/zinc/26/56/61/573265661.db2.gz KFEJSJQJFOKOEJ-SECBINFHSA-N 0 0 164.248 2.611 10 0 AFAERN CC[C@@H](O)[C@@H]1CC=C(C)CC1 142363228 573265791 /nfs/dbraw/zinc/26/57/91/573265791.db2.gz FUIDPFVFDBDTSL-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CCC[C@H](C)C[C@H](N)C(F)(F)F 126007342 573265951 /nfs/dbraw/zinc/26/59/51/573265951.db2.gz RYMXVMUNEOGZKV-BQBZGAKWSA-N 0 0 183.217 2.702 10 0 AFAERN CCC/C=C(\C)[C@@H](O)CC 212789259 573266044 /nfs/dbraw/zinc/26/60/44/573266044.db2.gz WPUMFKYKRAJLRH-FLOXNTQESA-N 0 0 142.242 2.504 10 0 AFAERN CCc1ccc(NC(C)=O)c(C)c1 142403464 573266098 /nfs/dbraw/zinc/26/60/98/573266098.db2.gz LSVQFSMGRAZSNJ-UHFFFAOYSA-N 0 0 177.247 2.516 10 0 AFAERN CCC[C@H](C)C[C@@H](N)C(F)(F)F 126007802 573266181 /nfs/dbraw/zinc/26/61/81/573266181.db2.gz RYMXVMUNEOGZKV-NKWVEPMBSA-N 0 0 183.217 2.702 10 0 AFAERN CCc1ccc(Cl)cc1[C@H](C)CO 258265597 573266208 /nfs/dbraw/zinc/26/62/08/573266208.db2.gz YVAFVAHLDTYUGA-MRVPVSSYSA-N 0 0 198.693 2.998 10 0 AFAERN CSc1cccc(F)c1C1(O)CC1 258265416 573266236 /nfs/dbraw/zinc/26/62/36/573266236.db2.gz YSMDEXVTOPILSS-UHFFFAOYSA-N 0 0 198.262 2.529 10 0 AFAERN CCOC(=O)/C(C)=C(/C)[C@H](C)CC 208551326 573266587 /nfs/dbraw/zinc/26/65/87/573266587.db2.gz QUWAPTCYJZSIME-SREPSJJZSA-N 0 0 184.279 2.932 10 0 AFAERN Cc1cc(-c2sccc2C)n(C)n1 259060907 573266669 /nfs/dbraw/zinc/26/66/69/573266669.db2.gz MOJUDBVIMIKSSD-UHFFFAOYSA-N 0 0 192.287 2.765 10 0 AFAERN O=Cc1c(Cl)cc2n1CCCCC2 257986565 573266833 /nfs/dbraw/zinc/26/68/33/573266833.db2.gz KENOTKYTNUXOLT-UHFFFAOYSA-N 0 0 197.665 2.680 10 0 AFAERN Cc1c[nH+]c(NC2CCC2)n1C(C)C 258265678 573266851 /nfs/dbraw/zinc/26/68/51/573266851.db2.gz SFVCZKGMGHTDNT-UHFFFAOYSA-N 0 0 193.294 2.737 10 0 AFAERN COC(=O)[C@H](c1ccc(C)o1)C(C)C 259397905 573267112 /nfs/dbraw/zinc/26/71/12/573267112.db2.gz WSWGEZIKECCPJS-JTQLQIEISA-N 0 0 196.246 2.501 10 0 AFAERN CC[C@H](O)[C@@H]1CC=C(C)CC1 142363436 573267216 /nfs/dbraw/zinc/26/72/16/573267216.db2.gz FUIDPFVFDBDTSL-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)[C@@H]1C=CC[C@@H]2CC(=O)C[C@H]12 142454520 573269526 /nfs/dbraw/zinc/26/95/26/573269526.db2.gz MNCSLWSQTFQICJ-USWWRNFRSA-N 0 0 178.275 2.814 10 0 AFAERN Cc1cc(-c2ccco2)c(N)s1 105554880 573267361 /nfs/dbraw/zinc/26/73/61/573267361.db2.gz XLJFUHPROGITPX-UHFFFAOYSA-N 0 0 179.244 2.899 10 0 AFAERN Oc1ccc(OC(F)=C(F)F)cc1 116380526 573267380 /nfs/dbraw/zinc/26/73/80/573267380.db2.gz DEUXITBFGJOGSU-UHFFFAOYSA-N 0 0 190.120 2.806 10 0 AFAERN c1ccc2c(c1)OC[C@H]2Cn1cccc1 92306524 573267418 /nfs/dbraw/zinc/26/74/18/573267418.db2.gz JVKHYJAKFYXHND-LLVKDONJSA-N 0 0 199.253 2.664 10 0 AFAERN CCC(CC)Cn1cccc1[C@H](C)O 129275412 573267661 /nfs/dbraw/zinc/26/76/61/573267661.db2.gz LQQNNLCMBHECGS-JTQLQIEISA-N 0 0 195.306 2.978 10 0 AFAERN CNc1cc(Cl)c(F)cc1F 238328118 573267793 /nfs/dbraw/zinc/26/77/93/573267793.db2.gz AOZLCIBCCMDNHF-UHFFFAOYSA-N 0 0 177.581 2.660 10 0 AFAERN CCC(CC)Cn1cccc1[C@@H](C)O 129275158 573267836 /nfs/dbraw/zinc/26/78/36/573267836.db2.gz LQQNNLCMBHECGS-SNVBAGLBSA-N 0 0 195.306 2.978 10 0 AFAERN CCC(CC)Cn1ccc([C@H](C)O)c1 129275812 573267952 /nfs/dbraw/zinc/26/79/52/573267952.db2.gz CRNPUPPZFXTECP-JTQLQIEISA-N 0 0 195.306 2.978 10 0 AFAERN CCC(CC)Cn1ccc([C@@H](C)O)c1 129275611 573268006 /nfs/dbraw/zinc/26/80/06/573268006.db2.gz CRNPUPPZFXTECP-SNVBAGLBSA-N 0 0 195.306 2.978 10 0 AFAERN COc1ccc2c(c1)CCC2(C)C 116348075 573268178 /nfs/dbraw/zinc/26/81/78/573268178.db2.gz DVIQJHKQDUMLBP-UHFFFAOYSA-N 0 0 176.259 2.919 10 0 AFAERN CC(C)(C)N1C=CN(C(C)(C)C)C1 105467653 573268377 /nfs/dbraw/zinc/26/83/77/573268377.db2.gz WLZCDCXFXATHNC-UHFFFAOYSA-N 0 0 182.311 2.630 10 0 AFAERN c1coc(Oc2cnsc2)c1 258268876 573268401 /nfs/dbraw/zinc/26/84/01/573268401.db2.gz BDYYYZHRULJBQU-UHFFFAOYSA-N 0 0 167.189 2.528 10 0 AFAERN CC(C)c1[nH+]cc2n1CC[C@H](C)C2 258266785 573268410 /nfs/dbraw/zinc/26/84/10/573268410.db2.gz NAONZDNUPNLYKQ-VIFPVBQESA-N 0 0 178.279 2.589 10 0 AFAERN CC(C)OCSc1ccc(O)cc1 393579108 573268523 /nfs/dbraw/zinc/26/85/23/573268523.db2.gz CCKIXPXBFUQFKZ-UHFFFAOYSA-N 0 0 198.287 2.867 10 0 AFAERN COc1c(C)c(N)c2occc2c1C 82322032 573268592 /nfs/dbraw/zinc/26/85/92/573268592.db2.gz KEZHNHPCUKUQCW-UHFFFAOYSA-N 0 0 191.230 2.640 10 0 AFAERN Cc1ccc(Nc2ccccn2)o1 142420133 573268790 /nfs/dbraw/zinc/26/87/90/573268790.db2.gz JZOGGWGLSYFRNY-UHFFFAOYSA-N 0 0 174.203 2.727 10 0 AFAERN CC/C(=C\[C@@H](C)O)c1ccc(F)cc1 308339241 573269174 /nfs/dbraw/zinc/26/91/74/573269174.db2.gz AHLIFBDLHSADLW-NCXKZPMSSA-N 0 0 194.249 3.000 10 0 AFAERN CCC1(C[C@@]2(C)CCC(=O)N2)CCC1 686135203 573269036 /nfs/dbraw/zinc/26/90/36/573269036.db2.gz BDZXOXHNNYHCJB-LLVKDONJSA-N 0 0 195.306 2.626 10 0 AFAERN COc1ccc(C(=N)SC)cc1F 258617092 573269072 /nfs/dbraw/zinc/26/90/72/573269072.db2.gz PSEJHDMKXLSSFZ-UHFFFAOYSA-N 0 0 199.250 2.523 10 0 AFAERN CNc1onc(-c2ccccc2)c1C 238329298 573269124 /nfs/dbraw/zinc/26/91/24/573269124.db2.gz BSILTFWTTSPJEO-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN Cc1c(Cl)[nH]c2cccc(O)c12 257985353 573269380 /nfs/dbraw/zinc/26/93/80/573269380.db2.gz OZSNITHZAOXGOG-UHFFFAOYSA-N 0 0 181.622 2.835 10 0 AFAERN CCc1ccc(C)cc1[C@H](C)O 257986588 573269407 /nfs/dbraw/zinc/26/94/07/573269407.db2.gz KFEJSJQJFOKOEJ-VIFPVBQESA-N 0 0 164.248 2.611 10 0 AFAERN Cc1cc(-c2cccnc2)c(N)s1 105554872 573269415 /nfs/dbraw/zinc/26/94/15/573269415.db2.gz FTVGZXSSSKGZNL-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC(C)[C@@H]1C=C[C@H]2CC(=O)C[C@@H]2C1 142453491 573269500 /nfs/dbraw/zinc/26/95/00/573269500.db2.gz MCPMTHWCECWQLZ-VWYCJHECSA-N 0 0 178.275 2.814 10 0 AFAERN COCc1cccc2c(N)cccc12 257986540 573269531 /nfs/dbraw/zinc/26/95/31/573269531.db2.gz KEEFNWYHAGTNHY-UHFFFAOYSA-N 0 0 187.242 2.568 10 0 AFAERN CCC(=O)COc1ccc(C)c(C)c1 50181296 573269606 /nfs/dbraw/zinc/26/96/06/573269606.db2.gz ABBWDVYGQHLABR-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN CCn1c(C)cc(/C=C\[C@@H](C)O)c1C 308339264 573269668 /nfs/dbraw/zinc/26/96/68/573269668.db2.gz APXOTASBDZUZJE-JYESYGNLSA-N 0 0 193.290 2.519 10 0 AFAERN CC(C)CCC(=O)c1ccncc1F 129385349 573269670 /nfs/dbraw/zinc/26/96/70/573269670.db2.gz DMUSZOHLNGZNGV-UHFFFAOYSA-N 0 0 195.237 2.840 10 0 AFAERN C/C=C/CC[C@@H](CCC)NC(=O)OC 308338942 573269753 /nfs/dbraw/zinc/26/97/53/573269753.db2.gz NDTJMFZXYZSPQA-DFVUYQKZSA-N 0 0 199.294 2.867 10 0 AFAERN COC[C@@H](C)Oc1ccc(F)cc1C 129323147 573270106 /nfs/dbraw/zinc/27/01/06/573270106.db2.gz VYWZRZYBPZFQEU-SECBINFHSA-N 0 0 198.237 2.548 10 0 AFAERN CCC(=O)COc1cc(C)cc(C)c1 50181301 573269785 /nfs/dbraw/zinc/26/97/85/573269785.db2.gz CTDAEJIDNQEWIR-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN CCC(=O)COc1ccc(CC)cc1 50181269 573269830 /nfs/dbraw/zinc/26/98/30/573269830.db2.gz XUHAQLZJWVTGRS-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN CCC(=O)COc1c(C)cccc1C 50181225 573269880 /nfs/dbraw/zinc/26/98/80/573269880.db2.gz NPSWGLJOOLNCTG-UHFFFAOYSA-N 0 0 192.258 2.661 10 0 AFAERN C[C@H]1Cc2c(cccc2[C@H](C)O)S1 258269508 573269945 /nfs/dbraw/zinc/26/99/45/573269945.db2.gz YXZCFMXTPITGFM-YUMQZZPRSA-N 0 0 194.299 2.777 10 0 AFAERN CCC(=O)CO[C@H]1CCC[C@@H](C)C1 50181462 573270637 /nfs/dbraw/zinc/27/06/37/573270637.db2.gz WJLCCJZMJRBDBH-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CONCc1c(C)ccc(Cl)c1C 258272804 573270175 /nfs/dbraw/zinc/27/01/75/573270175.db2.gz ZJOBYQCLBFDTJA-UHFFFAOYSA-N 0 0 199.681 2.608 10 0 AFAERN CC1(C)C[C@H]1C(=O)Nc1ccccc1 142426305 573270478 /nfs/dbraw/zinc/27/04/78/573270478.db2.gz VAEXTVYJEYBOOZ-JTQLQIEISA-N 0 0 189.258 2.671 10 0 AFAERN Cc1cccc2scc(CON)c12 258273612 573270495 /nfs/dbraw/zinc/27/04/95/573270495.db2.gz SRBXAILXFNZPMD-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN CCC(=O)CO[C@H]1CCCC[C@@H]1CC 50181093 573270537 /nfs/dbraw/zinc/27/05/37/573270537.db2.gz XJTZFWGWXLDVST-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)COC[C@@H]1CC=CC[C@H]1C 50181687 573270542 /nfs/dbraw/zinc/27/05/42/573270542.db2.gz LJTPUFRDOCBOPY-MNOVXSKESA-N 0 0 196.290 2.584 10 0 AFAERN CSc1c(F)cccc1C1(O)CC1 258275268 573270559 /nfs/dbraw/zinc/27/05/59/573270559.db2.gz ZMWBRTGQHRVOJP-UHFFFAOYSA-N 0 0 198.262 2.529 10 0 AFAERN C[C@H](O)c1cccc2c1C[C@@H](C)S2 258269503 573270575 /nfs/dbraw/zinc/27/05/75/573270575.db2.gz YXZCFMXTPITGFM-SFYZADRCSA-N 0 0 194.299 2.777 10 0 AFAERN CCCc1sc(C)nc1C(C)=O 258615383 573272653 /nfs/dbraw/zinc/27/26/53/573272653.db2.gz PQOWLSCVOYBBTQ-UHFFFAOYSA-N 0 0 183.276 2.607 10 0 AFAERN C[C@@H]1Cc2c(cccc2[C@@H](C)O)S1 258269492 573272682 /nfs/dbraw/zinc/27/26/82/573272682.db2.gz YXZCFMXTPITGFM-HTQZYQBOSA-N 0 0 194.299 2.777 10 0 AFAERN C[C@H](O)/C=C\c1ccc(C2CC2)cc1 308339228 573272509 /nfs/dbraw/zinc/27/25/09/573272509.db2.gz ABYSLUGDFODKHY-ZMWSMAPVSA-N 0 0 188.270 2.958 10 0 AFAERN C[C@H]1CCCC[C@H](CCCCO)C1=O 238431113 573272513 /nfs/dbraw/zinc/27/25/13/573272513.db2.gz GWLNLJBZRCCGEK-WDEREUQCSA-N 0 0 198.306 2.544 10 0 AFAERN CC(=O)[C@H]1CSc2ccc(F)cc21 257988490 573272528 /nfs/dbraw/zinc/27/25/28/573272528.db2.gz HRNIHRZNTHCHNS-SECBINFHSA-N 0 0 196.246 2.604 10 0 AFAERN C[C@]1(c2c(F)cccc2F)CCC[NH2+]1 82910009 573272569 /nfs/dbraw/zinc/27/25/69/573272569.db2.gz LYVNTQSBFJRZQH-LLVKDONJSA-N 0 0 197.228 2.563 10 0 AFAERN Cc1ccnn1CC[C@H]1C[C@H]1C1CC1 714873005 573275104 /nfs/dbraw/zinc/27/51/04/573275104.db2.gz NCEKVJRFHUZFKU-RYUDHWBXSA-N 0 0 190.290 2.628 10 0 AFAERN Cc1csc2ccc(CCO)cc12 258275837 573274956 /nfs/dbraw/zinc/27/49/56/573274956.db2.gz ZHBSLQMCEIQWJT-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN Clc1ncc(-c2ccco2)o1 258618340 573274977 /nfs/dbraw/zinc/27/49/77/573274977.db2.gz UOCRGLYXKYTLME-UHFFFAOYSA-N 0 0 169.567 2.588 10 0 AFAERN CSc1ccc(O)c(C)c1C 116387345 573275041 /nfs/dbraw/zinc/27/50/41/573275041.db2.gz KUYSRKXKURTLJA-UHFFFAOYSA-N 0 0 168.261 2.731 10 0 AFAERN Cc1cc(F)c(C)c(C2(O)CC2)c1F 257986932 573275153 /nfs/dbraw/zinc/27/51/53/573275153.db2.gz FDAXHUQRMVAWTN-UHFFFAOYSA-N 0 0 198.212 2.563 10 0 AFAERN CCc1nn([C@@H](C)CC(C)C)cc1N 716658713 573275184 /nfs/dbraw/zinc/27/51/84/573275184.db2.gz NUZOVKAOTCXLRO-VIFPVBQESA-N 0 0 195.310 2.635 10 0 AFAERN CCC(=O)[C@@H]1CCO[C@](C)(CC)C1 86161646 573275188 /nfs/dbraw/zinc/27/51/88/573275188.db2.gz XKPGYIUCOZURIT-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccnn1CC[C@@H]1C[C@H]1C1CC1 714872999 573275200 /nfs/dbraw/zinc/27/52/00/573275200.db2.gz NCEKVJRFHUZFKU-NEPJUHHUSA-N 0 0 190.290 2.628 10 0 AFAERN OCc1cc(-c2ccsc2)cs1 142495949 573275611 /nfs/dbraw/zinc/27/56/11/573275611.db2.gz MRCQJNHOCALRKD-UHFFFAOYSA-N 0 0 196.296 2.969 10 0 AFAERN CC[C@@]1(C)COc2sc(C=O)cc21 74241586 573275642 /nfs/dbraw/zinc/27/56/42/573275642.db2.gz QDOUQKRAJMNZLP-JTQLQIEISA-N 0 0 196.271 2.621 10 0 AFAERN Nc1cnc2cc(Cl)sc2c1 257990971 573279861 /nfs/dbraw/zinc/27/98/61/573279861.db2.gz KROUJBZHYAJXAR-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN CCCC(=O)COc1ccc(C)cc1 50185148 573276992 /nfs/dbraw/zinc/27/69/92/573276992.db2.gz BKIVWQWRJSVSPO-UHFFFAOYSA-N 0 0 192.258 2.743 10 0 AFAERN CCc1nn([C@H](C)[C@H](C)CC)cc1N 716674070 573277006 /nfs/dbraw/zinc/27/70/06/573277006.db2.gz SUDHOIODMNQUDY-RKDXNWHRSA-N 0 0 195.310 2.635 10 0 AFAERN CCn1c(C=O)cc2ccc(C)cc21 257989513 573277030 /nfs/dbraw/zinc/27/70/30/573277030.db2.gz WAYILCNWVSPJLI-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN CC[C@H]1Cc2ccccc2[C@H](O)C1 116394181 573277090 /nfs/dbraw/zinc/27/70/90/573277090.db2.gz UIEDLHDVGSNRMH-JOYOIKCWSA-N 0 0 176.259 2.692 10 0 AFAERN CCc1cc(F)cc2sncc12 238330713 573278896 /nfs/dbraw/zinc/27/88/96/573278896.db2.gz QTWXPXKNUUDZOY-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CCc1ccc(C)c(CC2(O)CC2)c1 257991296 573278188 /nfs/dbraw/zinc/27/81/88/573278188.db2.gz FMZGVZVXOSEAPX-UHFFFAOYSA-N 0 0 190.286 2.625 10 0 AFAERN CCC(=O)[C@H](C)c1ccc(F)cc1 86161736 573278247 /nfs/dbraw/zinc/27/82/47/573278247.db2.gz AUXHANWHNFFYEA-MRVPVSSYSA-N 0 0 180.222 2.908 10 0 AFAERN CCCC1([C@H]2CC(=O)CCO2)CCC1 686135247 573278295 /nfs/dbraw/zinc/27/82/95/573278295.db2.gz BSDZIWMKRIHCMS-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CCC(=O)[C@H](CC)C(C)C 86161542 573278318 /nfs/dbraw/zinc/27/83/18/573278318.db2.gz VWBMPFHSRKEJKO-MRVPVSSYSA-N 0 0 142.242 2.648 10 0 AFAERN CCC1([C@H](CCCC(C)C)NN)CC1 308536939 573278369 /nfs/dbraw/zinc/27/83/69/573278369.db2.gz MKXAOHOBSPBQAB-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN CCC(=O)[C@H]1CCO[C@@](C)(CC)C1 86161645 573278378 /nfs/dbraw/zinc/27/83/78/573278378.db2.gz XKPGYIUCOZURIT-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CCc1cc(F)cc2cnoc12 238330600 573278394 /nfs/dbraw/zinc/27/83/94/573278394.db2.gz OOODEVBZXUAWDX-UHFFFAOYSA-N 0 0 165.167 2.529 10 0 AFAERN CCC1([C@@H](CCCC(C)C)NN)CC1 308536936 573278403 /nfs/dbraw/zinc/27/84/03/573278403.db2.gz MKXAOHOBSPBQAB-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN C[C@@H](NC(C)(C)C1CC1)C(F)(F)F 393580515 573278416 /nfs/dbraw/zinc/27/84/16/573278416.db2.gz HBGDOJWKIZRAFE-ZCFIWIBFSA-N 0 0 195.228 2.715 10 0 AFAERN CCC(=O)[C@H]1CCCC[C@H]1C 86161670 573278434 /nfs/dbraw/zinc/27/84/34/573278434.db2.gz FYWUIXARVXZSRV-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)(C)[C@@](C)(O)c1cccc(O)c1 257992176 573278436 /nfs/dbraw/zinc/27/84/36/573278436.db2.gz FNAQQSXRWOEJLY-LBPRGKRZSA-N 0 0 194.274 2.646 10 0 AFAERN CCc1cc(F)cc2cnsc12 238330618 573278533 /nfs/dbraw/zinc/27/85/33/573278533.db2.gz ABSOYIWGIPTGQU-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CC[C@@H](C)N1N=C(C)C(C(C)C)C1=O 116397096 573278534 /nfs/dbraw/zinc/27/85/34/573278534.db2.gz RFNIYJXCYZVSFN-MRVPVSSYSA-N 0 0 196.294 2.992 10 0 AFAERN CC[C@H](C)N1N=C(C)C(C(C)C)C1=O 116397097 573278644 /nfs/dbraw/zinc/27/86/44/573278644.db2.gz RFNIYJXCYZVSFN-QMMMGPOBSA-N 0 0 196.294 2.992 10 0 AFAERN C[C@]1(Br)CCCSC1 257990327 573278655 /nfs/dbraw/zinc/27/86/55/573278655.db2.gz FIGHTRHVABSYKQ-LURJTMIESA-N 0 0 195.125 2.667 10 0 AFAERN CCCC(=O)CO[C@H]1CCCC[C@@H]1C 50185153 573278686 /nfs/dbraw/zinc/27/86/86/573278686.db2.gz GQBSPMSPPDPASA-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1cccc(NCCCCF)c1N 308537224 573278919 /nfs/dbraw/zinc/27/89/19/573278919.db2.gz SDQYJOYUIKQDKN-UHFFFAOYSA-N 0 0 196.269 2.739 10 0 AFAERN Nc1ccc(Cl)cc1N1CCCC1 74240741 573278972 /nfs/dbraw/zinc/27/89/72/573278972.db2.gz KZRMVSTVZRWELM-UHFFFAOYSA-N 0 0 196.681 2.522 10 0 AFAERN CC1=NN(C(C)C)C(=O)C1C(C)C 116396788 573278983 /nfs/dbraw/zinc/27/89/83/573278983.db2.gz WOWBGRYDXINKDA-UHFFFAOYSA-N 0 0 182.267 2.601 10 0 AFAERN CC(=O)c1cccc2c(C)cn(C)c12 258275834 573279063 /nfs/dbraw/zinc/27/90/63/573279063.db2.gz ZHASJOLCPFDSCB-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN CCc1cc(F)cc2c1CCC2=O 238330217 573279068 /nfs/dbraw/zinc/27/90/68/573279068.db2.gz JVPJRZBGENBUIX-UHFFFAOYSA-N 0 0 178.206 2.517 10 0 AFAERN CCC(=O)[C@@H](C)c1ccc(F)cc1 86161735 573279637 /nfs/dbraw/zinc/27/96/37/573279637.db2.gz AUXHANWHNFFYEA-QMMMGPOBSA-N 0 0 180.222 2.908 10 0 AFAERN Cc1cc(F)ccc1OCOC(C)C 308537023 573279711 /nfs/dbraw/zinc/27/97/11/573279711.db2.gz MNDWJYMVAWGRKT-UHFFFAOYSA-N 0 0 198.237 2.895 10 0 AFAERN CCc1cc(C2(O)CC2)ccc1C 257990835 573279741 /nfs/dbraw/zinc/27/97/41/573279741.db2.gz KQFVOIWQSWTXMQ-UHFFFAOYSA-N 0 0 176.259 2.539 10 0 AFAERN CCCC1([C@@H]2CC(=O)CCO2)CCC1 686135250 573279743 /nfs/dbraw/zinc/27/97/43/573279743.db2.gz BSDZIWMKRIHCMS-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN Cc1cccc2c1[nH]c1c[nH]c(=O)cc12 257990303 573279831 /nfs/dbraw/zinc/27/98/31/573279831.db2.gz FHINMBWECUAUKQ-UHFFFAOYSA-N 0 0 198.225 2.730 10 0 AFAERN CCCC[C@@H](C)n1cn[nH]c1=S 50889734 573280548 /nfs/dbraw/zinc/28/05/48/573280548.db2.gz QBVSGWATEUTYEF-SSDOTTSWSA-N 0 0 185.296 2.692 10 0 AFAERN CCC(CC)N1N=C(C)C(C)C1=O 116397163 573280549 /nfs/dbraw/zinc/28/05/49/573280549.db2.gz TWJHZKQSSLNFGM-UHFFFAOYSA-N 0 0 182.267 2.567 10 0 AFAERN CC1=NN(C(C)(C)C)C(=O)C1C(C)C 116396632 573279988 /nfs/dbraw/zinc/27/99/88/573279988.db2.gz HZYCECWXWYCNRY-UHFFFAOYSA-N 0 0 196.294 2.776 10 0 AFAERN CC[C@@H]1Cc2ccccc2[C@H](O)C1 116394178 573279993 /nfs/dbraw/zinc/27/99/93/573279993.db2.gz UIEDLHDVGSNRMH-BXKDBHETSA-N 0 0 176.259 2.692 10 0 AFAERN CCCC(=O)COC1CCC(C)CC1 50185162 573280014 /nfs/dbraw/zinc/28/00/14/573280014.db2.gz BQYIBLZHFZJRRR-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN C[C@H](O)c1cc(F)c(F)c(Cl)c1 257991325 573280024 /nfs/dbraw/zinc/28/00/24/573280024.db2.gz FOHASUCOIHHVQI-BYPYZUCNSA-N 0 0 192.592 2.672 10 0 AFAERN CCC1C(=O)N(C2CCCC2)N=C1C 116396935 573280057 /nfs/dbraw/zinc/28/00/57/573280057.db2.gz RGLHKEHGNLUOBI-UHFFFAOYSA-N 0 0 194.278 2.575 10 0 AFAERN CC(=O)[C@@H]1Cc2c(C)cccc2S1 257990679 573280073 /nfs/dbraw/zinc/28/00/73/573280073.db2.gz BIRDKJSVVVKNKB-NSHDSACASA-N 0 0 192.283 2.601 10 0 AFAERN CC[C@@]1(C)C[C@H](C(=O)C(C)C)CCO1 86167180 573280161 /nfs/dbraw/zinc/28/01/61/573280161.db2.gz ACRCYBRPONKVLF-PWSUYJOCSA-N 0 0 198.306 2.807 10 0 AFAERN C[C@H](F)c1ccccc1[C@H](C)CO 257991319 573280210 /nfs/dbraw/zinc/28/02/10/573280210.db2.gz FOGYMACYIUDHJA-BDAKNGLRSA-N 0 0 182.238 2.813 10 0 AFAERN CCn1c(CSC(C)C)cnc1C 257990665 573280216 /nfs/dbraw/zinc/28/02/16/573280216.db2.gz BIIYPMVKKQDCGJ-UHFFFAOYSA-N 0 0 198.335 2.853 10 0 AFAERN CC[C@]1(C)C[C@@H](C(=O)C(C)C)CCO1 86167182 573280320 /nfs/dbraw/zinc/28/03/20/573280320.db2.gz ACRCYBRPONKVLF-CMPLNLGQSA-N 0 0 198.306 2.807 10 0 AFAERN CCCC(=O)CO[C@@H]1CCCC[C@H]1C 50185154 573280353 /nfs/dbraw/zinc/28/03/53/573280353.db2.gz GQBSPMSPPDPASA-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)[C@H]1Cc2c(C)cccc2S1 257990678 573280387 /nfs/dbraw/zinc/28/03/87/573280387.db2.gz BIRDKJSVVVKNKB-LLVKDONJSA-N 0 0 192.283 2.601 10 0 AFAERN CC(C)CC(=O)OCCC1CCC1 393580550 573280408 /nfs/dbraw/zinc/28/04/08/573280408.db2.gz HJVCKICYXSIAHO-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC[C@H](O)[C@H]1CCC[C@H](C)CC1 86166278 573280432 /nfs/dbraw/zinc/28/04/32/573280432.db2.gz HEVQFVJOLPXEOF-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)[C@H](C)c1ccc(C)s1 86166929 573280452 /nfs/dbraw/zinc/28/04/52/573280452.db2.gz UWVIGVIQYFPYJJ-IUCAKERBSA-N 0 0 184.304 2.931 10 0 AFAERN CC(C)C[C@H](C)C(=O)C(C)C 86167032 573280460 /nfs/dbraw/zinc/28/04/60/573280460.db2.gz QNOVNQYRXAADLX-VIFPVBQESA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@@H](O)[C@@H](C)c1ccccc1F 86166714 573280474 /nfs/dbraw/zinc/28/04/74/573280474.db2.gz FTJHVVFURHRXBI-GZMMTYOYSA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@@H](O)[C@H](C)c1ccc(F)cc1 86166566 573280564 /nfs/dbraw/zinc/28/05/64/573280564.db2.gz PDFQVGVATXDWDT-LDYMZIIASA-N 0 0 182.238 2.700 10 0 AFAERN Cc1ccsc1S[C@@H](C)CO 259065046 573280493 /nfs/dbraw/zinc/28/04/93/573280493.db2.gz MYADAJYURXHQLJ-ZETCQYMHSA-N 0 0 188.317 2.529 10 0 AFAERN CC(C)N1CCCNc2ccccc21 82923276 573280572 /nfs/dbraw/zinc/28/05/72/573280572.db2.gz DMNXHGVPFPAOPO-UHFFFAOYSA-N 0 0 190.290 2.717 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)C(C)C 86167359 573280614 /nfs/dbraw/zinc/28/06/14/573280614.db2.gz CTQDVTQJPFEIDR-IUCAKERBSA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@@H](O)[C@@H](C)c1ccc(C)cc1 86166662 573280777 /nfs/dbraw/zinc/28/07/77/573280777.db2.gz GPFNLDRBJSIWJJ-CMPLNLGQSA-N 0 0 178.275 2.869 10 0 AFAERN C[C@@H](N)c1ncc(C2CCCCC2)o1 74246170 573280770 /nfs/dbraw/zinc/28/07/70/573280770.db2.gz LXGFFPOLTNTGPR-MRVPVSSYSA-N 0 0 194.278 2.742 10 0 AFAERN CNc1ccc(C(C)C)cc1O 238331812 573280713 /nfs/dbraw/zinc/28/07/13/573280713.db2.gz RSOBXHZVDXFBGM-UHFFFAOYSA-N 0 0 165.236 2.557 10 0 AFAERN CC[C@@H](O)[C@@H](C)c1cccc(F)c1 86166726 573280734 /nfs/dbraw/zinc/28/07/34/573280734.db2.gz UISPSMARENEHCN-GZMMTYOYSA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@@H](C)[C@H](C)C(=O)C(C)C 86167358 573280761 /nfs/dbraw/zinc/28/07/61/573280761.db2.gz CTQDVTQJPFEIDR-BDAKNGLRSA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@@H](O)[C@H](C)c1ccc(C)s1 86166931 573281499 /nfs/dbraw/zinc/28/14/99/573281499.db2.gz UWVIGVIQYFPYJJ-DTWKUNHWSA-N 0 0 184.304 2.931 10 0 AFAERN Cc1cccc2oc([C@@H](C)CO)cc12 257992302 573281517 /nfs/dbraw/zinc/28/15/17/573281517.db2.gz WHBFGGLLAHDHHV-VIFPVBQESA-N 0 0 190.242 2.837 10 0 AFAERN CC1=NN(C2CCCCC2)C(=O)C1C 116396965 573281526 /nfs/dbraw/zinc/28/15/26/573281526.db2.gz RPNASQRCZHEBOF-UHFFFAOYSA-N 0 0 194.278 2.711 10 0 AFAERN CC[C@@H](O)[C@@H]1CCCC(C)(C)C1 86166430 573281532 /nfs/dbraw/zinc/28/15/32/573281532.db2.gz STZQJSBOLVNAFZ-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H]1Cc2ccccc2[C@@H](O)C1 116394184 573281351 /nfs/dbraw/zinc/28/13/51/573281351.db2.gz UIEDLHDVGSNRMH-SKDRFNHKSA-N 0 0 176.259 2.692 10 0 AFAERN Cc1ccsc1S[C@H](C)CO 259065043 573281389 /nfs/dbraw/zinc/28/13/89/573281389.db2.gz MYADAJYURXHQLJ-SSDOTTSWSA-N 0 0 188.317 2.529 10 0 AFAERN CC[C@H](O)[C@H](C)c1ccc(F)cc1 86166564 573281469 /nfs/dbraw/zinc/28/14/69/573281469.db2.gz PDFQVGVATXDWDT-KCJUWKMLSA-N 0 0 182.238 2.700 10 0 AFAERN CC(C)C(C(=O)[C@@H]1CCOC1)C(C)C 308537955 573281537 /nfs/dbraw/zinc/28/15/37/573281537.db2.gz LVGBCQOXTJDMPQ-SNVBAGLBSA-N 0 0 198.306 2.520 10 0 AFAERN CC[C@H](O)[C@H](C)c1ccccc1C 86166345 573283503 /nfs/dbraw/zinc/28/35/03/573283503.db2.gz BPCXXZBMRSWHOP-PWSUYJOCSA-N 0 0 178.275 2.869 10 0 AFAERN CC[C@H](O)[C@@H]1C[C@H](C)CC[C@@H]1C 86166260 573282037 /nfs/dbraw/zinc/28/20/37/573282037.db2.gz SBSMYWHOTKDPCV-YTWAJWBKSA-N 0 0 170.296 2.830 10 0 AFAERN CN(CC(F)(F)F)c1cccs1 259066176 573282130 /nfs/dbraw/zinc/28/21/30/573282130.db2.gz LHOOPYPCCYZWJG-UHFFFAOYSA-N 0 0 195.209 2.747 10 0 AFAERN CC[C@H](O)[C@H]1CCCC(C)(C)C1 86166432 573282138 /nfs/dbraw/zinc/28/21/38/573282138.db2.gz STZQJSBOLVNAFZ-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)C(=O)[C@H](C)C(C)(C)C 86167266 573282164 /nfs/dbraw/zinc/28/21/64/573282164.db2.gz JOXCVBVVXXBEJB-QMMMGPOBSA-N 0 0 156.269 2.894 10 0 AFAERN OC1(CC2CCC2)CCCCC1 258173836 573282182 /nfs/dbraw/zinc/28/21/82/573282182.db2.gz XOYHEBIAVAEPFA-UHFFFAOYSA-N 0 0 168.280 2.872 10 0 AFAERN CCCC(=O)COCCCC(C)C 50185368 573282192 /nfs/dbraw/zinc/28/21/92/573282192.db2.gz CGSZZTIYWGMQNM-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC(C)C(=O)[C@H]1CCO[C@@H](C(C)C)C1 86167417 573282210 /nfs/dbraw/zinc/28/22/10/573282210.db2.gz RXRYUBCRZPCELB-WDEREUQCSA-N 0 0 198.306 2.663 10 0 AFAERN CNc1ccc(C)cc1[Si](C)(C)C 238332691 573282356 /nfs/dbraw/zinc/28/23/56/573282356.db2.gz MOIGRFBEQBLLND-UHFFFAOYSA-N 0 0 193.366 2.582 10 0 AFAERN CC[C@@H](O)[C@H](C)C1CCCC1 86166513 573282378 /nfs/dbraw/zinc/28/23/78/573282378.db2.gz ALWJGQFLVKKADQ-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC1=C[C@@H]2CCC(=O)C[C@@H]2C1(C)C 197273934 573282590 /nfs/dbraw/zinc/28/25/90/573282590.db2.gz YXNYUHBOSCKZQQ-ONGXEEELSA-N 0 0 178.275 2.958 10 0 AFAERN CC[C@@H](O)[C@@H](C)c1ccccc1C 86166343 573282686 /nfs/dbraw/zinc/28/26/86/573282686.db2.gz BPCXXZBMRSWHOP-CMPLNLGQSA-N 0 0 178.275 2.869 10 0 AFAERN Cc1cccc2nc3c(n12)CCCC3 105737083 573282725 /nfs/dbraw/zinc/28/27/25/573282725.db2.gz GFWNNQHBKSKXIW-UHFFFAOYSA-N 0 0 186.258 2.522 10 0 AFAERN CC[C@@H](O)[C@H](C)c1ccc(C)cc1 86166666 573282732 /nfs/dbraw/zinc/28/27/32/573282732.db2.gz GPFNLDRBJSIWJJ-ZYHUDNBSSA-N 0 0 178.275 2.869 10 0 AFAERN CC(C)C(=O)[C@H]1CCO[C@H](C(C)C)C1 86167416 573282796 /nfs/dbraw/zinc/28/27/96/573282796.db2.gz RXRYUBCRZPCELB-QWRGUYRKSA-N 0 0 198.306 2.663 10 0 AFAERN CC[C@H](O)[C@@H]1CCCC[C@@H]1C 86166481 573282802 /nfs/dbraw/zinc/28/28/02/573282802.db2.gz NEYTVRBFWKODCO-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC[C@H](C)n1cn[nH]c1=S 50889735 573282825 /nfs/dbraw/zinc/28/28/25/573282825.db2.gz QBVSGWATEUTYEF-ZETCQYMHSA-N 0 0 185.296 2.692 10 0 AFAERN CC(C)C(=O)[C@H]1CCC[C@@H]1C 86166998 573282833 /nfs/dbraw/zinc/28/28/33/573282833.db2.gz BWKMICMIPCBBNJ-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC1=C[C@H]2CCC(=O)C[C@H]2C1(C)C 197273970 573282910 /nfs/dbraw/zinc/28/29/10/573282910.db2.gz YXNYUHBOSCKZQQ-MWLCHTKSSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)=CCNCc1ncsc1C 393580581 573282913 /nfs/dbraw/zinc/28/29/13/573282913.db2.gz HSUFYQSXXHNXGE-UHFFFAOYSA-N 0 0 196.319 2.507 10 0 AFAERN CCCC(=O)COc1cccc(F)c1 50185306 573282936 /nfs/dbraw/zinc/28/29/36/573282936.db2.gz DSRVRLKXWNPTCO-UHFFFAOYSA-N 0 0 196.221 2.574 10 0 AFAERN CC(C)CC[C@@]1(O)C[C@H]2CC[C@@H]1C2 123965673 573283484 /nfs/dbraw/zinc/28/34/84/573283484.db2.gz GGEZWPLIFYUHGT-QJPTWQEYSA-N 0 0 182.307 2.974 10 0 AFAERN CCCC(=O)CO[C@H]1CCC[C@@H](C)C1 50185387 573283126 /nfs/dbraw/zinc/28/31/26/573283126.db2.gz NGKYCGVOKSORGC-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@H](O)[C@H](C)c1cccc(F)c1 86166728 573283127 /nfs/dbraw/zinc/28/31/27/573283127.db2.gz UISPSMARENEHCN-KCJUWKMLSA-N 0 0 182.238 2.700 10 0 AFAERN Nc1cnoc1-c1cccc(Cl)c1 74245609 573283132 /nfs/dbraw/zinc/28/31/32/573283132.db2.gz ICZCUIRXAOGVSC-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CC[C@@H](O)[C@@H](C)c1ccc(C)s1 86166928 573283134 /nfs/dbraw/zinc/28/31/34/573283134.db2.gz UWVIGVIQYFPYJJ-RKDXNWHRSA-N 0 0 184.304 2.931 10 0 AFAERN CC[C@H](O)[C@H](C)c1ccc(C)cc1 86166665 573283170 /nfs/dbraw/zinc/28/31/70/573283170.db2.gz GPFNLDRBJSIWJJ-PWSUYJOCSA-N 0 0 178.275 2.869 10 0 AFAERN CC[C@H](O)[C@@H](C)c1cccc(F)c1 86166725 573283175 /nfs/dbraw/zinc/28/31/75/573283175.db2.gz UISPSMARENEHCN-KWQFWETISA-N 0 0 182.238 2.700 10 0 AFAERN CC[C@H](O)[C@@H]1CCC[C@H](C)CC1 86166275 573283239 /nfs/dbraw/zinc/28/32/39/573283239.db2.gz HEVQFVJOLPXEOF-AXFHLTTASA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C)[C@@H](C)C(=O)C(C)C 86167354 573283264 /nfs/dbraw/zinc/28/32/64/573283264.db2.gz CTQDVTQJPFEIDR-RKDXNWHRSA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@H](O)[C@@H](C)C1CCCCC1 86166834 573283357 /nfs/dbraw/zinc/28/33/57/573283357.db2.gz MYZLGYHAZXJDMC-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)[C@@H](C)C1CCCC1 86166507 573283400 /nfs/dbraw/zinc/28/34/00/573283400.db2.gz ALWJGQFLVKKADQ-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](O)[C@@H](C)c1ccc(C)s1 86166926 573283427 /nfs/dbraw/zinc/28/34/27/573283427.db2.gz UWVIGVIQYFPYJJ-BDAKNGLRSA-N 0 0 184.304 2.931 10 0 AFAERN CC1=C[C@@H]2CCC(=O)C[C@H]2C1(C)C 197273954 573283459 /nfs/dbraw/zinc/28/34/59/573283459.db2.gz YXNYUHBOSCKZQQ-GXSJLCMTSA-N 0 0 178.275 2.958 10 0 AFAERN CC[C@@H](O)[C@H]1CCCC(C)(C)C1 86166434 573284079 /nfs/dbraw/zinc/28/40/79/573284079.db2.gz STZQJSBOLVNAFZ-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H](O)[C@H]1CCCC[C@@H]1C 86166485 573284120 /nfs/dbraw/zinc/28/41/20/573284120.db2.gz NEYTVRBFWKODCO-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](C)COC(=O)CC1CCC1 393580793 573284136 /nfs/dbraw/zinc/28/41/36/573284136.db2.gz FWZRWQYAKHLDSG-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)C(=O)[C@@H]1CCC[C@@H]1C 86167003 573284141 /nfs/dbraw/zinc/28/41/41/573284141.db2.gz BWKMICMIPCBBNJ-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)c1ccc(NCCF)cc1 308533801 573284175 /nfs/dbraw/zinc/28/41/75/573284175.db2.gz KVGAQDMFVOFDNW-UHFFFAOYSA-N 0 0 195.237 2.661 10 0 AFAERN CC(C)C(C(=O)[C@H]1CCOC1)C(C)C 308537953 573284354 /nfs/dbraw/zinc/28/43/54/573284354.db2.gz LVGBCQOXTJDMPQ-JTQLQIEISA-N 0 0 198.306 2.520 10 0 AFAERN CC[C@H]1C[C@H]1n1c(C)c(C)[nH]c1=S 716682423 573284247 /nfs/dbraw/zinc/28/42/47/573284247.db2.gz DZHMUSYYTACFIJ-DTWKUNHWSA-N 0 0 196.319 2.760 10 0 AFAERN CCCC(=O)COC(C)(C)CC 50185369 573284248 /nfs/dbraw/zinc/28/42/48/573284248.db2.gz AOBZFAFELCUGSL-UHFFFAOYSA-N 0 0 172.268 2.561 10 0 AFAERN CCc1csc(Cl)c1 116426810 573284316 /nfs/dbraw/zinc/28/43/16/573284316.db2.gz SPUBEYRJXNLJPY-UHFFFAOYSA-N 0 0 146.642 2.964 10 0 AFAERN Cc1cccc(NCC(C)C)c1CO 222984725 573287511 /nfs/dbraw/zinc/28/75/11/573287511.db2.gz UKANDXPLJIMFHE-UHFFFAOYSA-N 0 0 193.290 2.555 10 0 AFAERN CC[C@@H](C)CC(=O)OCC(F)(F)F 230616288 573287976 /nfs/dbraw/zinc/28/79/76/573287976.db2.gz GRRBUOLEDHAGQX-ZCFIWIBFSA-N 0 0 198.184 2.528 10 0 AFAERN c1ccc2c(c1)N[C@@H]1CCSC[C@@H]21 116422094 573285003 /nfs/dbraw/zinc/28/50/03/573285003.db2.gz VCEJLDZOGNTIPH-GXSJLCMTSA-N 0 0 191.299 2.701 10 0 AFAERN CC(C)C(=O)[C@@H]1CCO[C@H](C(C)C)C1 86167412 573284903 /nfs/dbraw/zinc/28/49/03/573284903.db2.gz RXRYUBCRZPCELB-MNOVXSKESA-N 0 0 198.306 2.663 10 0 AFAERN Cc1ccc2cc([C@H](C)O)[nH]c2c1 258281827 573286049 /nfs/dbraw/zinc/28/60/49/573286049.db2.gz TWZIBBDIPOJMFV-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN CC(C)C[C@H](C)[C@@H](O)C(C)C 86183106 573286031 /nfs/dbraw/zinc/28/60/31/573286031.db2.gz AKQGREWPPDRGTR-UWVGGRQHSA-N 0 0 158.285 2.686 10 0 AFAERN CC(C)[C@H](O)[C@@H](C)C(C)(C)C 86183626 573285969 /nfs/dbraw/zinc/28/59/69/573285969.db2.gz KORYHNYFTQLZPF-BDAKNGLRSA-N 0 0 158.285 2.686 10 0 AFAERN Cc1cccc2oc([C@H](C)CO)cc12 257992300 573285597 /nfs/dbraw/zinc/28/55/97/573285597.db2.gz WHBFGGLLAHDHHV-SECBINFHSA-N 0 0 190.242 2.837 10 0 AFAERN c1ccc2c(c1)N[C@H]1CCSC[C@@H]21 116422092 573285607 /nfs/dbraw/zinc/28/56/07/573285607.db2.gz VCEJLDZOGNTIPH-ONGXEEELSA-N 0 0 191.299 2.701 10 0 AFAERN CCCC(=O)CO[C@@H]1CCC[C@H](C)C1 50185384 573285627 /nfs/dbraw/zinc/28/56/27/573285627.db2.gz NGKYCGVOKSORGC-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CCCCCC(=O)c1cn(CC)cn1 308538637 573285634 /nfs/dbraw/zinc/28/56/34/573285634.db2.gz LZWRAAJUZDDOLY-UHFFFAOYSA-N 0 0 194.278 2.666 10 0 AFAERN CC[C@H](C)CC(=O)c1cn(CC)cn1 308539491 573285707 /nfs/dbraw/zinc/28/57/07/573285707.db2.gz MDTOWMMENUNEBE-VIFPVBQESA-N 0 0 194.278 2.522 10 0 AFAERN CC(C)(CF)c1ccccc1O 258620392 573285722 /nfs/dbraw/zinc/28/57/22/573285722.db2.gz WRQPXQYNPMQEBU-UHFFFAOYSA-N 0 0 168.211 2.639 10 0 AFAERN CC(C)[C@H](O)[C@H](C)c1cccc(F)c1 86183387 573285798 /nfs/dbraw/zinc/28/57/98/573285798.db2.gz WWDZUJGORDAJCS-SKDRFNHKSA-N 0 0 196.265 2.946 10 0 AFAERN Cc1cccc(CO)c1NCC(C)C 222985024 573285985 /nfs/dbraw/zinc/28/59/85/573285985.db2.gz WVGWVVGALCULJM-UHFFFAOYSA-N 0 0 193.290 2.555 10 0 AFAERN C=Cc1c(Cl)ccnc1C 116427593 573285818 /nfs/dbraw/zinc/28/58/18/573285818.db2.gz KNOWNNQEPNTTRQ-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN COc1c(C)c(C)c(Cl)c(C)c1N 259069760 573285819 /nfs/dbraw/zinc/28/58/19/573285819.db2.gz BTCZJMPGVILROX-UHFFFAOYSA-N 0 0 199.681 2.856 10 0 AFAERN CC[C@@H](C)CC(=O)c1cn(CC)cn1 308539489 573285838 /nfs/dbraw/zinc/28/58/38/573285838.db2.gz MDTOWMMENUNEBE-SECBINFHSA-N 0 0 194.278 2.522 10 0 AFAERN CCc1cc(O)c(C)c2c1CCC2 238334935 573285909 /nfs/dbraw/zinc/28/59/09/573285909.db2.gz SROGYAPEVREQJD-UHFFFAOYSA-N 0 0 176.259 2.752 10 0 AFAERN CCc1cc(N=O)c(CC)cc1O 238334041 573285921 /nfs/dbraw/zinc/28/59/21/573285921.db2.gz XWPJZGPVVHTJGT-UHFFFAOYSA-N 0 0 179.219 2.915 10 0 AFAERN CC(C)[C@@H](O)[C@H](C)C(C)(C)C 86183635 573285939 /nfs/dbraw/zinc/28/59/39/573285939.db2.gz KORYHNYFTQLZPF-DTWKUNHWSA-N 0 0 158.285 2.686 10 0 AFAERN CC(C)C[C@@H](C)[C@@H](O)C(C)C 86183104 573287263 /nfs/dbraw/zinc/28/72/63/573287263.db2.gz AKQGREWPPDRGTR-ZJUUUORDSA-N 0 0 158.285 2.686 10 0 AFAERN CNc1ccc(F)cc1C1CC1 238334308 573286655 /nfs/dbraw/zinc/28/66/55/573286655.db2.gz XPIPRBMBCKWHOL-UHFFFAOYSA-N 0 0 165.211 2.745 10 0 AFAERN CSc1ccc(N=O)s1 222988777 573287275 /nfs/dbraw/zinc/28/72/75/573287275.db2.gz QLMDQIKDXYXMCM-UHFFFAOYSA-N 0 0 159.235 2.868 10 0 AFAERN CCCC(=O)COCc1cccs1 50185835 573286772 /nfs/dbraw/zinc/28/67/72/573286772.db2.gz RDYYANHERGPDCZ-UHFFFAOYSA-N 0 0 198.287 2.634 10 0 AFAERN CCC1(C(=O)O[C@@H](C)C(C)C)CC1 393580774 573286815 /nfs/dbraw/zinc/28/68/15/573286815.db2.gz FUSASZCIODZHIM-VIFPVBQESA-N 0 0 184.279 2.764 10 0 AFAERN Cc1ccc(CO)c(NCC(C)C)c1 222984948 573286903 /nfs/dbraw/zinc/28/69/03/573286903.db2.gz MIMXZXOLMBHJEZ-UHFFFAOYSA-N 0 0 193.290 2.555 10 0 AFAERN COCc1cc(O)c2ccccc2c1 238334496 573286966 /nfs/dbraw/zinc/28/69/66/573286966.db2.gz XCLLQHPHASSDAS-UHFFFAOYSA-N 0 0 188.226 2.692 10 0 AFAERN CC[C@@H]1C[C@H]1n1c(C)c(C)[nH]c1=S 716682426 573286988 /nfs/dbraw/zinc/28/69/88/573286988.db2.gz DZHMUSYYTACFIJ-RKDXNWHRSA-N 0 0 196.319 2.760 10 0 AFAERN CC(C)(O)c1ccc2c(c1)SCC2 257994082 573287118 /nfs/dbraw/zinc/28/71/18/573287118.db2.gz FVYHXDBCSLZEBY-UHFFFAOYSA-N 0 0 194.299 2.562 10 0 AFAERN CCCC(=O)COc1ccccc1C 50185296 573287137 /nfs/dbraw/zinc/28/71/37/573287137.db2.gz DVCWVTMWJKUXFD-UHFFFAOYSA-N 0 0 192.258 2.743 10 0 AFAERN CC[C@H](C(C)C)[C@H](O)C(C)C 86183113 573287151 /nfs/dbraw/zinc/28/71/51/573287151.db2.gz ACLHDGFQOQVYML-NXEZZACHSA-N 0 0 158.285 2.686 10 0 AFAERN CCCC(=O)COc1ccc(F)cc1 50185297 573287300 /nfs/dbraw/zinc/28/73/00/573287300.db2.gz UWJPNILYYQYNLA-UHFFFAOYSA-N 0 0 196.221 2.574 10 0 AFAERN CCCCCOCC(=O)CCC 50185425 573287323 /nfs/dbraw/zinc/28/73/23/573287323.db2.gz JQBBHGCZNIGXJH-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN CC(C)[C@@H](O)[C@H](C)c1cccc(F)c1 86183391 573287341 /nfs/dbraw/zinc/28/73/41/573287341.db2.gz WWDZUJGORDAJCS-BXKDBHETSA-N 0 0 196.265 2.946 10 0 AFAERN Cc1ccc2c(c1)[C@H]([C@H](C)O)CS2 258284178 573291423 /nfs/dbraw/zinc/29/14/23/573291423.db2.gz ZRVDPYBWHRRLHL-WPRPVWTQSA-N 0 0 194.299 2.565 10 0 AFAERN CC(=O)c1cccc2c(C)c[nH]c12 257994872 573287720 /nfs/dbraw/zinc/28/77/20/573287720.db2.gz IDRNBQDWBPXSJN-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN CC[C@H](C)[C@@H](C)[C@H](O)C(C)C 86183695 573287766 /nfs/dbraw/zinc/28/77/66/573287766.db2.gz MRCMYTVZPQLVSZ-IVZWLZJFSA-N 0 0 158.285 2.686 10 0 AFAERN CC(C)[C@@H](O)[C@H](C)c1ccc(F)cc1 86183141 573287797 /nfs/dbraw/zinc/28/77/97/573287797.db2.gz HPVXRTNCODVWHT-BXKDBHETSA-N 0 0 196.265 2.946 10 0 AFAERN CC[C@H](C)CC(=O)O[C@@H]1C=CCC1 393580782 573287804 /nfs/dbraw/zinc/28/78/04/573287804.db2.gz FVBSNCROQYIFET-VHSXEESVSA-N 0 0 182.263 2.684 10 0 AFAERN CCc1c[nH]c(=O)c2ccc(C)cc12 258278202 573287985 /nfs/dbraw/zinc/28/79/85/573287985.db2.gz RJGYKGWLVSYFFN-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN CC(=O)[C@H](F)c1ccc(C)cc1 258620425 573287859 /nfs/dbraw/zinc/28/78/59/573287859.db2.gz WRSVOKMQGHWMCG-JTQLQIEISA-N 0 0 166.195 2.595 10 0 AFAERN CC[C@@H](C(C)C)[C@H](O)C(C)C 86183111 573287882 /nfs/dbraw/zinc/28/78/82/573287882.db2.gz ACLHDGFQOQVYML-VHSXEESVSA-N 0 0 158.285 2.686 10 0 AFAERN CC(=O)CCc1ncccc1C(C)C 259069918 573287988 /nfs/dbraw/zinc/28/79/88/573287988.db2.gz BXIMTPBFJHYLBN-UHFFFAOYSA-N 0 0 191.274 2.727 10 0 AFAERN CC[C@H](C(C)C)[C@@H](O)C(C)C 86183118 573287920 /nfs/dbraw/zinc/28/79/20/573287920.db2.gz ACLHDGFQOQVYML-ZJUUUORDSA-N 0 0 158.285 2.686 10 0 AFAERN CC[C@H](C)[C@H](C)[C@H](O)C(C)C 86183702 573287928 /nfs/dbraw/zinc/28/79/28/573287928.db2.gz MRCMYTVZPQLVSZ-LPEHRKFASA-N 0 0 158.285 2.686 10 0 AFAERN CC(C)c1ccc(F)c(CO)c1F 257993962 573288586 /nfs/dbraw/zinc/28/85/86/573288586.db2.gz FSUWVEYGJOVLCE-UHFFFAOYSA-N 0 0 186.201 2.581 10 0 AFAERN COCCc1[nH]c2ccccc2c1C 238333426 573288517 /nfs/dbraw/zinc/28/85/17/573288517.db2.gz GYQPGLVVNPTXFK-UHFFFAOYSA-N 0 0 189.258 2.665 10 0 AFAERN CC(C)[C@H](O)[C@H](C)c1ccccc1F 86183362 573288624 /nfs/dbraw/zinc/28/86/24/573288624.db2.gz JFGXTJNUGMBEPP-SKDRFNHKSA-N 0 0 196.265 2.946 10 0 AFAERN CCc1cc(NC(C)=O)c(C)cc1C 238334157 573288647 /nfs/dbraw/zinc/28/86/47/573288647.db2.gz VRBBAIMQTNHKFY-UHFFFAOYSA-N 0 0 191.274 2.824 10 0 AFAERN COCc1[nH]c2ccccc2c1C 238333906 573288725 /nfs/dbraw/zinc/28/87/25/573288725.db2.gz GGLOTTQNCNOKFD-UHFFFAOYSA-N 0 0 175.231 2.623 10 0 AFAERN CC[C@H]1CC[C@H](n2cc(N)c(C)n2)C1 716681010 573288740 /nfs/dbraw/zinc/28/87/40/573288740.db2.gz IZQSSRZJPIDKHA-UWVGGRQHSA-N 0 0 193.294 2.525 10 0 AFAERN CC(C)[C@@H](O)[C@@H](C)c1ccc(F)cc1 86183137 573288835 /nfs/dbraw/zinc/28/88/35/573288835.db2.gz HPVXRTNCODVWHT-JOYOIKCWSA-N 0 0 196.265 2.946 10 0 AFAERN CC(C)[C@H](O)[C@@H](C)c1ccc(F)cc1 86183134 573289586 /nfs/dbraw/zinc/28/95/86/573289586.db2.gz HPVXRTNCODVWHT-CABZTGNLSA-N 0 0 196.265 2.946 10 0 AFAERN COCc1[nH]c2ccccc2c1Cl 238333924 573288978 /nfs/dbraw/zinc/28/89/78/573288978.db2.gz PJCPNOAHCYIZLA-UHFFFAOYSA-N 0 0 195.649 2.968 10 0 AFAERN CC(C)[C@@H](O)[C@@H](C)c1cccc(F)c1 86183383 573289016 /nfs/dbraw/zinc/28/90/16/573289016.db2.gz WWDZUJGORDAJCS-JOYOIKCWSA-N 0 0 196.265 2.946 10 0 AFAERN CN(CC1CCCCC1)C(=O)S 258621167 573289020 /nfs/dbraw/zinc/28/90/20/573289020.db2.gz CHZRZTQBXRMPLG-UHFFFAOYSA-N 0 0 187.308 2.548 10 0 AFAERN CCc1[nH]cnc1-c1ccccc1 116537981 573289055 /nfs/dbraw/zinc/28/90/55/573289055.db2.gz BKEWFNBVYWTSQR-UHFFFAOYSA-N 0 0 172.231 2.639 10 0 AFAERN CC(C)[C@H](O)[C@@H](C)c1ccccc1F 86183357 573289076 /nfs/dbraw/zinc/28/90/76/573289076.db2.gz JFGXTJNUGMBEPP-CABZTGNLSA-N 0 0 196.265 2.946 10 0 AFAERN Cc1ccc2cc([C@@H](C)O)[nH]c2c1 258281824 573289088 /nfs/dbraw/zinc/28/90/88/573289088.db2.gz TWZIBBDIPOJMFV-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN CON[C@H](C)c1ccccc1Cl 105991421 573289235 /nfs/dbraw/zinc/28/92/35/573289235.db2.gz SIRUILUPVOZNAO-SSDOTTSWSA-N 0 0 185.654 2.552 10 0 AFAERN CC[C@@H](C)CC(=O)O[C@@H]1C=CCC1 393580779 573289278 /nfs/dbraw/zinc/28/92/78/573289278.db2.gz FVBSNCROQYIFET-NXEZZACHSA-N 0 0 182.263 2.684 10 0 AFAERN CC[C@H]1C[C@@H]1n1c(C)c(C)[nH]c1=S 716682424 573289398 /nfs/dbraw/zinc/28/93/98/573289398.db2.gz DZHMUSYYTACFIJ-IUCAKERBSA-N 0 0 196.319 2.760 10 0 AFAERN CCc1cc(N)cc(SC)c1 238333327 573289458 /nfs/dbraw/zinc/28/94/58/573289458.db2.gz LBIDHVYUBNUQRH-UHFFFAOYSA-N 0 0 167.277 2.553 10 0 AFAERN CC(C)[C@H](O)[C@@H](C)C1CCCC1 86183033 573289469 /nfs/dbraw/zinc/28/94/69/573289469.db2.gz VKPGUUUNTBDPOC-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1c(F)c(F)cc2cnccc12 116518441 573289472 /nfs/dbraw/zinc/28/94/72/573289472.db2.gz DTRQEVJYWULRRX-UHFFFAOYSA-N 0 0 179.169 2.821 10 0 AFAERN CCc1cc(O)c(C(C)(C)C)cc1O 238334692 573290328 /nfs/dbraw/zinc/29/03/28/573290328.db2.gz LFFQVBMXUKNVHU-UHFFFAOYSA-N 0 0 194.274 2.958 10 0 AFAERN CN(C)c1cc2ccccc2cc1O 238325644 573291392 /nfs/dbraw/zinc/29/13/92/573291392.db2.gz QDPMDPRFPQJOQD-UHFFFAOYSA-N 0 0 187.242 2.611 10 0 AFAERN CCC[C@H](C)[C@H](O)CC(F)(F)F 233352230 573291062 /nfs/dbraw/zinc/29/10/62/573291062.db2.gz OLJLNPVIZRYQIA-NKWVEPMBSA-N 0 0 184.201 2.736 10 0 AFAERN CC(=O)Cc1c(F)ccc2occc12 257994033 573291117 /nfs/dbraw/zinc/29/11/17/573291117.db2.gz FULVWVMLJLNUDU-UHFFFAOYSA-N 0 0 192.189 2.703 10 0 AFAERN CCCC(=O)CS[C@@H](C)CC 50185951 573292160 /nfs/dbraw/zinc/29/21/60/573292160.db2.gz DTWMQLIOJZKENL-QMMMGPOBSA-N 0 0 174.309 2.887 10 0 AFAERN Cc1[nH]c(=S)n(C2CC(C)C2)c1C 716696472 573292200 /nfs/dbraw/zinc/29/22/00/573292200.db2.gz IVXPGSSFPXVIMG-UHFFFAOYSA-N 0 0 196.319 2.760 10 0 AFAERN CNc1cc(C2CCCCC2)n(C)n1 259404574 573292420 /nfs/dbraw/zinc/29/24/20/573292420.db2.gz YXKGAVJCMYNTQE-UHFFFAOYSA-N 0 0 193.294 2.510 10 0 AFAERN CCCCC[C@@H](CCCCO)OC 116511765 573292460 /nfs/dbraw/zinc/29/24/60/573292460.db2.gz FETJGGGXZIHCLF-NSHDSACASA-N 0 0 188.311 2.744 10 0 AFAERN C/C=C(/C)C(=O)OC/C=C/C=C/C 230624225 573292597 /nfs/dbraw/zinc/29/25/97/573292597.db2.gz KXIOAGVWKLYECX-PLRHJWHASA-N 0 0 180.247 2.628 10 0 AFAERN COc1cc(Cl)cc2cnsc12 238335091 573292742 /nfs/dbraw/zinc/29/27/42/573292742.db2.gz PUJKQQHMLVRKNN-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN CCOCc1c[nH]c2cccc(F)c12 258621740 573292844 /nfs/dbraw/zinc/29/28/44/573292844.db2.gz KTALWASSCSRADL-UHFFFAOYSA-N 0 0 193.221 2.844 10 0 AFAERN C=C(c1cccc(C)c1)c1ncc[nH]1 116556801 573293030 /nfs/dbraw/zinc/29/30/30/573293030.db2.gz TUXDRFXCLGQTJF-UHFFFAOYSA-N 0 0 184.242 2.780 10 0 AFAERN O=C1CCc2ccc3occc3c21 116508574 573293101 /nfs/dbraw/zinc/29/31/01/573293101.db2.gz ZZQHMWVLGBJRSB-UHFFFAOYSA-N 0 0 172.183 2.562 10 0 AFAERN CCC[C@H](C)[C@H](O)CCSCC 233352300 573293229 /nfs/dbraw/zinc/29/32/29/573293229.db2.gz MLOMHPQGEYAFGD-VHSXEESVSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1ccccc1N1CCC(F)(F)C1 259405921 573293405 /nfs/dbraw/zinc/29/34/05/573293405.db2.gz RWIOVKCUXUYMOS-UHFFFAOYSA-N 0 0 197.228 2.840 10 0 AFAERN CCCC(=O)CS[C@H](C)CC 50185952 573293539 /nfs/dbraw/zinc/29/35/39/573293539.db2.gz DTWMQLIOJZKENL-MRVPVSSYSA-N 0 0 174.309 2.887 10 0 AFAERN Cc1cc(F)nc(CCC(C)(C)C)n1 690037471 573293568 /nfs/dbraw/zinc/29/35/68/573293568.db2.gz UEZDABHIUUQVQC-UHFFFAOYSA-N 0 0 196.269 2.903 10 0 AFAERN COCc1ccc2cc(O)ccc2c1 238335352 573293745 /nfs/dbraw/zinc/29/37/45/573293745.db2.gz BCCXWKAMRVNJKH-UHFFFAOYSA-N 0 0 188.226 2.692 10 0 AFAERN COc1nccc(C2CCCCC2)n1 259072283 573295266 /nfs/dbraw/zinc/29/52/66/573295266.db2.gz LBAVDRVGEWCTNL-UHFFFAOYSA-N 0 0 192.262 2.533 10 0 AFAERN Cc1ccc(C)c([C@@]2(O)C[C@@H]2C)c1 86196701 573295065 /nfs/dbraw/zinc/29/50/65/573295065.db2.gz KWBFUTLNMWJLRN-CMPLNLGQSA-N 0 0 176.259 2.531 10 0 AFAERN Cc1ccccc1CC[C@@]1(O)C[C@H]1C 86196743 573295196 /nfs/dbraw/zinc/29/51/96/573295196.db2.gz QDXAXWVARWTWHU-DGCLKSJQSA-N 0 0 190.286 2.699 10 0 AFAERN FC(F)Oc1ccccc1NC1CC1 236116664 573295213 /nfs/dbraw/zinc/29/52/13/573295213.db2.gz GSOOBWCVRYMJFT-UHFFFAOYSA-N 0 0 199.200 2.862 10 0 AFAERN CCOC(C)(C)C(=O)CCCCF 393582050 573295257 /nfs/dbraw/zinc/29/52/57/573295257.db2.gz JLCAAKHJCKNZNT-UHFFFAOYSA-N 0 0 190.258 2.510 10 0 AFAERN CC(C)(F)c1ccccc1C1(O)CC1 257996714 573296227 /nfs/dbraw/zinc/29/62/27/573296227.db2.gz GCKCPAUTSKGUQA-UHFFFAOYSA-N 0 0 194.249 2.873 10 0 AFAERN Cc1ccc2c(c1)[C@@H]([C@H](C)O)CS2 258284176 573296312 /nfs/dbraw/zinc/29/63/12/573296312.db2.gz ZRVDPYBWHRRLHL-WCBMZHEXSA-N 0 0 194.299 2.565 10 0 AFAERN Cc1ccccc1CC[C@@]1(O)C[C@@H]1C 86196741 573296365 /nfs/dbraw/zinc/29/63/65/573296365.db2.gz QDXAXWVARWTWHU-WCQYABFASA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc(C)c([C@]2(O)C[C@@H]2C)c1 86196700 573296385 /nfs/dbraw/zinc/29/63/85/573296385.db2.gz KWBFUTLNMWJLRN-JQWIXIFHSA-N 0 0 176.259 2.531 10 0 AFAERN CO[C@@H](C)c1cccc(CC(C)=O)c1 259405305 573296841 /nfs/dbraw/zinc/29/68/41/573296841.db2.gz JHVSPZLPPBMYTR-JTQLQIEISA-N 0 0 192.258 2.526 10 0 AFAERN Cc1cc(C)c([C@@]2(O)C[C@@H]2C)c(C)c1 86196729 573296868 /nfs/dbraw/zinc/29/68/68/573296868.db2.gz OEDFIWMMPPYGAA-WCQYABFASA-N 0 0 190.286 2.839 10 0 AFAERN COc1cc(C)cc2cc(C=O)oc12 74275184 573297111 /nfs/dbraw/zinc/29/71/11/573297111.db2.gz ZEZJPBCTLAMFMW-UHFFFAOYSA-N 0 0 190.198 2.562 10 0 AFAERN Cc1cc([C@@]2(O)C[C@H]2C)sc1C 86196848 573297135 /nfs/dbraw/zinc/29/71/35/573297135.db2.gz QBWQENFGOAEEGD-GMSGAONNSA-N 0 0 182.288 2.592 10 0 AFAERN CSc1cc(C(C)(C)O)ccc1C 257999060 573297222 /nfs/dbraw/zinc/29/72/22/573297222.db2.gz GIPWZXUQHNKVPJ-UHFFFAOYSA-N 0 0 196.315 2.944 10 0 AFAERN CSc1ccc([C@@]2(O)C[C@H]2C)cc1 86196788 573297657 /nfs/dbraw/zinc/29/76/57/573297657.db2.gz YMLCOAAEZDZQKV-LDYMZIIASA-N 0 0 194.299 2.636 10 0 AFAERN CO[C@H](C)c1cccc(CC(C)=O)c1 259405308 573297285 /nfs/dbraw/zinc/29/72/85/573297285.db2.gz JHVSPZLPPBMYTR-SNVBAGLBSA-N 0 0 192.258 2.526 10 0 AFAERN CC[C@@]1(Cc2ccccc2)C[C@@H]1CO 132390082 573297318 /nfs/dbraw/zinc/29/73/18/573297318.db2.gz ZVBQINRMUXKLPK-CHWSQXEVSA-N 0 0 190.286 2.638 10 0 AFAERN COCc1ccc2ccc(O)cc2c1 238335368 573297359 /nfs/dbraw/zinc/29/73/59/573297359.db2.gz VESKKSVOSPACLJ-UHFFFAOYSA-N 0 0 188.226 2.692 10 0 AFAERN Cc1ccc(C)c([C@@]2(O)C[C@H]2C)c1 86196703 573297408 /nfs/dbraw/zinc/29/74/08/573297408.db2.gz KWBFUTLNMWJLRN-ZYHUDNBSSA-N 0 0 176.259 2.531 10 0 AFAERN Cc1cc(C)c([C@]2(O)C[C@H]2C)c(C)c1 86196730 573297419 /nfs/dbraw/zinc/29/74/19/573297419.db2.gz OEDFIWMMPPYGAA-YPMHNXCESA-N 0 0 190.286 2.839 10 0 AFAERN COc1ccc(Cl)c(C(F)F)n1 238335445 573297613 /nfs/dbraw/zinc/29/76/13/573297613.db2.gz MAXLORYHUMYNTE-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN C[C@@H]1C[C@@]1(O)c1ccc(Cl)cc1 86197133 573301014 /nfs/dbraw/zinc/30/10/14/573301014.db2.gz FAQAPSMEMKCXME-XCBNKYQSSA-N 0 0 182.650 2.567 10 0 AFAERN C[C@H]1C[C@@]1(O)Cc1ccc(Cl)cc1 86197169 573300619 /nfs/dbraw/zinc/30/06/19/573300619.db2.gz JSEURSNNCZRAPM-GZMMTYOYSA-N 0 0 196.677 2.653 10 0 AFAERN CCc1ccc(C(C)C)cc1CNO 258001408 573300648 /nfs/dbraw/zinc/30/06/48/573300648.db2.gz GOCRFGPCGNXZRO-UHFFFAOYSA-N 0 0 193.290 2.851 10 0 AFAERN CCc1ccc([C@@]2(O)C[C@@H]2C)s1 86197835 573300649 /nfs/dbraw/zinc/30/06/49/573300649.db2.gz XMGVKJKKQGEJIO-OIBJUYFYSA-N 0 0 182.288 2.538 10 0 AFAERN C[C@H]1C[C@]1(O)C(C)(C)c1ccccc1 86198020 573301524 /nfs/dbraw/zinc/30/15/24/573301524.db2.gz HJRWBXHVWOJACE-GXFFZTMASA-N 0 0 190.286 2.735 10 0 AFAERN CCc1ccsc1[C@]1(O)C[C@@H]1C 86197346 573301979 /nfs/dbraw/zinc/30/19/79/573301979.db2.gz GIJGDSKUSAGUFD-XVKPBYJWSA-N 0 0 182.288 2.538 10 0 AFAERN C[C@@H]1C[C@@]1(O)c1cc2ccccc2o1 86198339 573300562 /nfs/dbraw/zinc/30/05/62/573300562.db2.gz UTZWXIRJTSYKGW-PELKAZGASA-N 0 0 188.226 2.660 10 0 AFAERN Cc1ccc(C)c(C[C@@]2(O)C[C@@H]2C)c1 86197857 573299503 /nfs/dbraw/zinc/29/95/03/573299503.db2.gz YUXUMOQLTYRESU-AAEUAGOBSA-N 0 0 190.286 2.617 10 0 AFAERN C[C@H]1C[C@]1(O)Cc1ccc(Cl)cc1 86197165 573299547 /nfs/dbraw/zinc/29/95/47/573299547.db2.gz JSEURSNNCZRAPM-KWQFWETISA-N 0 0 196.677 2.653 10 0 AFAERN C[C@H]1C[C@]1(O)C1CCCCCC1 86197850 573299596 /nfs/dbraw/zinc/29/95/96/573299596.db2.gz RNXKDBVRTFGSBR-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN CC(=O)CCc1cc2ccccc2[nH]1 74279105 573299659 /nfs/dbraw/zinc/29/96/59/573299659.db2.gz WOJXLZFPWUMTLN-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN Cc1cc(C)cc([C@]2(O)C[C@H]2C)c1 86197161 573299671 /nfs/dbraw/zinc/29/96/71/573299671.db2.gz RCDOWCNIWFOICP-PWSUYJOCSA-N 0 0 176.259 2.531 10 0 AFAERN CC[C@H](c1ccccc1)[C@@]1(O)C[C@@H]1C 86197428 573299678 /nfs/dbraw/zinc/29/96/78/573299678.db2.gz ADWIHSZPOVDVKQ-CYZMBNFOSA-N 0 0 190.286 2.951 10 0 AFAERN Cc1ccc(CC[C@]2(O)C[C@H]2C)cc1 86197260 573299686 /nfs/dbraw/zinc/29/96/86/573299686.db2.gz DLLDHZSJGGSRNY-YPMHNXCESA-N 0 0 190.286 2.699 10 0 AFAERN Cc1cccc2c1cc([C@H](C)O)n2C 258001838 573299693 /nfs/dbraw/zinc/29/96/93/573299693.db2.gz XBDPFBLEZUGRKH-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN C[C@H]1C[C@@]1(O)c1ccc(Cl)s1 86198280 573299725 /nfs/dbraw/zinc/29/97/25/573299725.db2.gz FUVANZNHQJDPGC-XNCJUZBTSA-N 0 0 188.679 2.629 10 0 AFAERN Cc1coc([C@@](C)(O)C2CCCC2)c1 715760704 573299744 /nfs/dbraw/zinc/29/97/44/573299744.db2.gz UVJGCMCBLNFRLU-LBPRGKRZSA-N 0 0 194.274 2.986 10 0 AFAERN CCCCC1(C)CC(=O)C1 197805347 573299748 /nfs/dbraw/zinc/29/97/48/573299748.db2.gz TZAWHDLPEVVXGS-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN C[C@H]1C[C@]1(O)CCC1CCCC1 86198189 573299750 /nfs/dbraw/zinc/29/97/50/573299750.db2.gz BDKIWKDOXSQGMV-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1C[C@@]1(O)Cc1ccccc1Cl 86198286 573299795 /nfs/dbraw/zinc/29/97/95/573299795.db2.gz UHQXGYDFTOGVLQ-LDYMZIIASA-N 0 0 196.677 2.653 10 0 AFAERN Cc1cccc([C@]2(O)C[C@@H]2C)c1C 86196946 573299779 /nfs/dbraw/zinc/29/97/79/573299779.db2.gz JFXMROSZWSQVJS-CABZTGNLSA-N 0 0 176.259 2.531 10 0 AFAERN C[C@H]1C[C@]1(O)CC1CCCCC1 86197990 573299834 /nfs/dbraw/zinc/29/98/34/573299834.db2.gz ZSOZSFSGRRWSJR-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CCc1ccc([C@@]2(O)C[C@H]2C)s1 86197839 573299858 /nfs/dbraw/zinc/29/98/58/573299858.db2.gz XMGVKJKKQGEJIO-GMSGAONNSA-N 0 0 182.288 2.538 10 0 AFAERN CCCC[C@@](C)(O)c1cc(C)co1 715760719 573299910 /nfs/dbraw/zinc/29/99/10/573299910.db2.gz UXAISXZUTXTNGW-LLVKDONJSA-N 0 0 182.263 2.986 10 0 AFAERN C[C@@H]1C[C@]1(O)C(C)(C)c1ccccc1 86198018 573299947 /nfs/dbraw/zinc/29/99/47/573299947.db2.gz HJRWBXHVWOJACE-ZWNOBZJWSA-N 0 0 190.286 2.735 10 0 AFAERN Cc1ccc(C)c(C[C@]2(O)C[C@@H]2C)c1 86197856 573299997 /nfs/dbraw/zinc/29/99/97/573299997.db2.gz YUXUMOQLTYRESU-WCQYABFASA-N 0 0 190.286 2.617 10 0 AFAERN Cc1ccc(C[C@]2(O)C[C@H]2C)cc1C 86196981 573300005 /nfs/dbraw/zinc/30/00/05/573300005.db2.gz AOEQPPHALGRYRF-DGCLKSJQSA-N 0 0 190.286 2.617 10 0 AFAERN CNc1ccc(OC)cc1[C@H]1C[C@H]1C 238335918 573300077 /nfs/dbraw/zinc/30/00/77/573300077.db2.gz ZYAYDAUTSDZDJG-SCZZXKLOSA-N 0 0 191.274 2.860 10 0 AFAERN C[C@@H]1C[C@]1(O)c1cc2ccccc2o1 86198336 573300136 /nfs/dbraw/zinc/30/01/36/573300136.db2.gz UTZWXIRJTSYKGW-PRHODGIISA-N 0 0 188.226 2.660 10 0 AFAERN COc1cc(Cl)cc2sncc12 238335383 573300273 /nfs/dbraw/zinc/30/02/73/573300273.db2.gz PEGGZEPCSLGGKQ-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN C[C@H]1C[C@@]1(O)CCC1CCCC1 86198193 573300274 /nfs/dbraw/zinc/30/02/74/573300274.db2.gz BDKIWKDOXSQGMV-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CSc1ccccc1[C@]1(O)C[C@@H]1C 86196976 573300286 /nfs/dbraw/zinc/30/02/86/573300286.db2.gz CNMMBFKDTKIQNW-KWQFWETISA-N 0 0 194.299 2.636 10 0 AFAERN CNc1ccc(Cc2cc[nH]c2)cc1 259073134 573300318 /nfs/dbraw/zinc/30/03/18/573300318.db2.gz HFXGIWTYWGULDK-UHFFFAOYSA-N 0 0 186.258 2.647 10 0 AFAERN C[C@H]1C[C@]1(O)c1coc2ccccc12 86197077 573300361 /nfs/dbraw/zinc/30/03/61/573300361.db2.gz JBZPEAOOZYHCCR-QPUJVOFHSA-N 0 0 188.226 2.660 10 0 AFAERN Cc1ccc(C)c(C[C@]2(O)C[C@H]2C)c1 86197860 573300386 /nfs/dbraw/zinc/30/03/86/573300386.db2.gz YUXUMOQLTYRESU-DGCLKSJQSA-N 0 0 190.286 2.617 10 0 AFAERN C[C@@H]1C[C@]1(O)c1ccc(Cl)cc1 86197129 573300420 /nfs/dbraw/zinc/30/04/20/573300420.db2.gz FAQAPSMEMKCXME-GMSGAONNSA-N 0 0 182.650 2.567 10 0 AFAERN CCCC[C@](C)(O)c1cc(C)co1 715760722 573300462 /nfs/dbraw/zinc/30/04/62/573300462.db2.gz UXAISXZUTXTNGW-NSHDSACASA-N 0 0 182.263 2.986 10 0 AFAERN C[C@H]1C(=O)C[C@H]2CC[C@@H]1C2(C)C 197281481 573300472 /nfs/dbraw/zinc/30/04/72/573300472.db2.gz ABXBNWJKXXCADH-HLTSFMKQSA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)[C@H]1C2CCC(CC2)[C@@H]1C 197807147 573300478 /nfs/dbraw/zinc/30/04/78/573300478.db2.gz UVKNYBKSEVEJES-ZZTAUVCHSA-N 0 0 166.264 2.648 10 0 AFAERN CNc1ccc(OC)cc1[C@@H]1C[C@@H]1C 238335866 573300507 /nfs/dbraw/zinc/30/05/07/573300507.db2.gz ZYAYDAUTSDZDJG-WCBMZHEXSA-N 0 0 191.274 2.860 10 0 AFAERN C[C@H]1C[C@]1(O)C[C@@H](C)C(C)(C)C 86197086 573300509 /nfs/dbraw/zinc/30/05/09/573300509.db2.gz WSVAYFSFKMDASM-WCABBAIRSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1ccc(C(C)C)cc1CNO 257993252 573300516 /nfs/dbraw/zinc/30/05/16/573300516.db2.gz KUDNWQJAUBVJJO-UHFFFAOYSA-N 0 0 179.263 2.597 10 0 AFAERN C[C@H]1c2cccc(O)c2NC1(C)C 258001403 573300553 /nfs/dbraw/zinc/30/05/53/573300553.db2.gz CBMIRFVKSKVOCZ-ZETCQYMHSA-N 0 0 177.247 2.700 10 0 AFAERN C[C@H]1C[C@@]1(O)c1ccccc1Cl 86197682 573300689 /nfs/dbraw/zinc/30/06/89/573300689.db2.gz ZNCMQZIBQVHUOB-XVKPBYJWSA-N 0 0 182.650 2.567 10 0 AFAERN C[C@@H]1C[C@@]1(O)c1coc2ccccc12 86197080 573300698 /nfs/dbraw/zinc/30/06/98/573300698.db2.gz JBZPEAOOZYHCCR-PELKAZGASA-N 0 0 188.226 2.660 10 0 AFAERN Cc1ccc([C@]2(O)C[C@H]2C)c(C)c1 86197451 573300757 /nfs/dbraw/zinc/30/07/57/573300757.db2.gz FVJPNHDHOMRHOC-PWSUYJOCSA-N 0 0 176.259 2.531 10 0 AFAERN CCc1ccc([C@]2(O)C[C@@H]2C)s1 86197833 573300816 /nfs/dbraw/zinc/30/08/16/573300816.db2.gz XMGVKJKKQGEJIO-XVKPBYJWSA-N 0 0 182.288 2.538 10 0 AFAERN C[C@H]1C[C@@]1(O)c1cc2ccccc2o1 86198342 573300785 /nfs/dbraw/zinc/30/07/85/573300785.db2.gz UTZWXIRJTSYKGW-UFBFGSQYSA-N 0 0 188.226 2.660 10 0 AFAERN Cc1ccc(CC[C@@]2(O)C[C@H]2C)cc1 86197262 573300896 /nfs/dbraw/zinc/30/08/96/573300896.db2.gz DLLDHZSJGGSRNY-DGCLKSJQSA-N 0 0 190.286 2.699 10 0 AFAERN C[C@H]1C[C@]1(O)c1ccc(Cl)s1 86198277 573300901 /nfs/dbraw/zinc/30/09/01/573300901.db2.gz FUVANZNHQJDPGC-YLWLKBPMSA-N 0 0 188.679 2.629 10 0 AFAERN CCC[C@H](C)[C@H](O)[C@@H](CCC)OC 233352469 573300905 /nfs/dbraw/zinc/30/09/05/573300905.db2.gz KHSARBGKSUFFGY-AXFHLTTASA-N 0 0 188.311 2.599 10 0 AFAERN C[C@H]1C[C@]1(O)c1ccccc1Cl 86197678 573300938 /nfs/dbraw/zinc/30/09/38/573300938.db2.gz ZNCMQZIBQVHUOB-OIBJUYFYSA-N 0 0 182.650 2.567 10 0 AFAERN CSc1ccccc1[C@@]1(O)C[C@H]1C 86196968 573300958 /nfs/dbraw/zinc/30/09/58/573300958.db2.gz CNMMBFKDTKIQNW-LDYMZIIASA-N 0 0 194.299 2.636 10 0 AFAERN Cc1cccc([C@@]2(O)C[C@H]2C)c1C 86196952 573301001 /nfs/dbraw/zinc/30/10/01/573301001.db2.gz JFXMROSZWSQVJS-BXKDBHETSA-N 0 0 176.259 2.531 10 0 AFAERN CC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C 197807179 573301026 /nfs/dbraw/zinc/30/10/26/573301026.db2.gz UVKNYBKSEVEJES-OBJWOIQRSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cccc(CC[C@]2(O)C[C@@H]2C)c1 86198059 573301093 /nfs/dbraw/zinc/30/10/93/573301093.db2.gz JQUWFOIRACRSGV-AAEUAGOBSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1cccc(CC[C@]2(O)C[C@H]2C)c1 86198064 573301113 /nfs/dbraw/zinc/30/11/13/573301113.db2.gz JQUWFOIRACRSGV-YPMHNXCESA-N 0 0 190.286 2.699 10 0 AFAERN C[C@H]1C[C@]1(O)c1ccc(Cl)cc1 86197131 573301121 /nfs/dbraw/zinc/30/11/21/573301121.db2.gz FAQAPSMEMKCXME-OIBJUYFYSA-N 0 0 182.650 2.567 10 0 AFAERN O=C1CCCCc2c(F)cccc21 230861017 573302129 /nfs/dbraw/zinc/30/21/29/573302129.db2.gz MNUKGCDUMZFHOS-UHFFFAOYSA-N 0 0 178.206 2.735 10 0 AFAERN CC[C@@]1(Cc2ccccc2)C[C@H]1CO 132390455 573301140 /nfs/dbraw/zinc/30/11/40/573301140.db2.gz ZVBQINRMUXKLPK-QWHCGFSZSA-N 0 0 190.286 2.638 10 0 AFAERN C[C@H]1C[C@]1(O)Cc1ccccc1Cl 86198284 573301163 /nfs/dbraw/zinc/30/11/63/573301163.db2.gz UHQXGYDFTOGVLQ-KWQFWETISA-N 0 0 196.677 2.653 10 0 AFAERN C[C@@H]1C[C@@]1(O)CCC1CCCC1 86198190 573301170 /nfs/dbraw/zinc/30/11/70/573301170.db2.gz BDKIWKDOXSQGMV-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1C[C@@]1(O)C(C)(C)c1ccccc1 86198022 573301207 /nfs/dbraw/zinc/30/12/07/573301207.db2.gz HJRWBXHVWOJACE-MFKMUULPSA-N 0 0 190.286 2.735 10 0 AFAERN Cc1ccc(C[C@]2(O)C[C@@H]2C)cc1C 86196977 573301221 /nfs/dbraw/zinc/30/12/21/573301221.db2.gz AOEQPPHALGRYRF-WCQYABFASA-N 0 0 190.286 2.617 10 0 AFAERN CC[C@H](CO)C1CCCCC1 116751135 573301256 /nfs/dbraw/zinc/30/12/56/573301256.db2.gz QDIKXUXEDJWUIM-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN C[C@H]1C[C@@]1(O)c1coc2ccccc12 86197082 573301265 /nfs/dbraw/zinc/30/12/65/573301265.db2.gz JBZPEAOOZYHCCR-UFBFGSQYSA-N 0 0 188.226 2.660 10 0 AFAERN Cc1coc([C@](C)(O)C2CCCC2)c1 715760699 573301270 /nfs/dbraw/zinc/30/12/70/573301270.db2.gz UVJGCMCBLNFRLU-GFCCVEGCSA-N 0 0 194.274 2.986 10 0 AFAERN CSc1ccccc1[C@@]1(O)C[C@@H]1C 86196970 573301272 /nfs/dbraw/zinc/30/12/72/573301272.db2.gz CNMMBFKDTKIQNW-GZMMTYOYSA-N 0 0 194.299 2.636 10 0 AFAERN C[C@H]1C[C@@]1(O)C(C)(C)c1ccccc1 86198024 573301286 /nfs/dbraw/zinc/30/12/86/573301286.db2.gz HJRWBXHVWOJACE-GWCFXTLKSA-N 0 0 190.286 2.735 10 0 AFAERN C[C@@H]1C[C@]1(O)c1coc2ccccc12 86197075 573301310 /nfs/dbraw/zinc/30/13/10/573301310.db2.gz JBZPEAOOZYHCCR-PRHODGIISA-N 0 0 188.226 2.660 10 0 AFAERN C[C@@H]1C[C@]1(O)CC1CCCCC1 86197989 573301333 /nfs/dbraw/zinc/30/13/33/573301333.db2.gz ZSOZSFSGRRWSJR-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc(C[C@@]2(O)C[C@@H]2C)cc1C 86196980 573301344 /nfs/dbraw/zinc/30/13/44/573301344.db2.gz AOEQPPHALGRYRF-AAEUAGOBSA-N 0 0 190.286 2.617 10 0 AFAERN Cc1cccc(CC[C@@]2(O)C[C@@H]2C)c1 86198061 573301351 /nfs/dbraw/zinc/30/13/51/573301351.db2.gz JQUWFOIRACRSGV-WCQYABFASA-N 0 0 190.286 2.699 10 0 AFAERN C[C@@H]1C[C@@]1(O)Cc1ccc(Cl)cc1 86197168 573301365 /nfs/dbraw/zinc/30/13/65/573301365.db2.gz JSEURSNNCZRAPM-LDYMZIIASA-N 0 0 196.677 2.653 10 0 AFAERN CN1CCCCCNc2ccccc21 238337105 573301390 /nfs/dbraw/zinc/30/13/90/573301390.db2.gz DTKAMXUIEGLSAM-UHFFFAOYSA-N 0 0 190.290 2.719 10 0 AFAERN Cc1cc2c(C3CC3)c[nH]c2cc1N 74280265 573301420 /nfs/dbraw/zinc/30/14/20/573301420.db2.gz BTOOOBJUOGUIFW-UHFFFAOYSA-N 0 0 186.258 2.936 10 0 AFAERN C[C@@H]1C[C@]1(O)CCC1CCCC1 86198187 573301461 /nfs/dbraw/zinc/30/14/61/573301461.db2.gz BDKIWKDOXSQGMV-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H]1C[C@]1(O)c1cc2ccccc2o1 86198338 573301508 /nfs/dbraw/zinc/30/15/08/573301508.db2.gz UTZWXIRJTSYKGW-QPUJVOFHSA-N 0 0 188.226 2.660 10 0 AFAERN C[C@@H]1C[C@]1(O)Cc1ccccc1Cl 86198282 573301626 /nfs/dbraw/zinc/30/16/26/573301626.db2.gz UHQXGYDFTOGVLQ-KCJUWKMLSA-N 0 0 196.677 2.653 10 0 AFAERN Cc1cc(C)cc([C@@]2(O)C[C@H]2C)c1 86197162 573301639 /nfs/dbraw/zinc/30/16/39/573301639.db2.gz RCDOWCNIWFOICP-ZYHUDNBSSA-N 0 0 176.259 2.531 10 0 AFAERN CC1=C([C@@H](C)O)C(C)(C)CCC1 116709914 573301666 /nfs/dbraw/zinc/30/16/66/573301666.db2.gz KWKYERSZCHHKHD-SECBINFHSA-N 0 0 168.280 2.894 10 0 AFAERN O=Cc1sccc1C(F)(F)F 77951914 573301687 /nfs/dbraw/zinc/30/16/87/573301687.db2.gz JHXOQASCKIYBHG-UHFFFAOYSA-N 0 0 180.150 2.579 10 0 AFAERN Cc1cc(C)cc([C@@]2(O)C[C@@H]2C)c1 86197159 573301718 /nfs/dbraw/zinc/30/17/18/573301718.db2.gz RCDOWCNIWFOICP-CMPLNLGQSA-N 0 0 176.259 2.531 10 0 AFAERN C[C@@H]1C[C@]1(O)c1ccc(Cl)s1 86198274 573301739 /nfs/dbraw/zinc/30/17/39/573301739.db2.gz FUVANZNHQJDPGC-SVGQVSJJSA-N 0 0 188.679 2.629 10 0 AFAERN Cc1cccc([C@@]2(O)C[C@@H]2C)c1C 86196948 573301749 /nfs/dbraw/zinc/30/17/49/573301749.db2.gz JFXMROSZWSQVJS-JOYOIKCWSA-N 0 0 176.259 2.531 10 0 AFAERN CC(=O)Cc1ccc2cc(C)[nH]c2c1 258286366 573301759 /nfs/dbraw/zinc/30/17/59/573301759.db2.gz ZWGKITPCSSJZLZ-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN C[C@H]1C[C@@]1(O)C[C@@H](C)C(C)(C)C 86197090 573301791 /nfs/dbraw/zinc/30/17/91/573301791.db2.gz WSVAYFSFKMDASM-YWVKMMECSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1C[C@]1(O)c1ccccc1Cl 86197676 573301807 /nfs/dbraw/zinc/30/18/07/573301807.db2.gz ZNCMQZIBQVHUOB-GMSGAONNSA-N 0 0 182.650 2.567 10 0 AFAERN Cc1ccc(CC[C@]2(O)C[C@@H]2C)cc1 86197255 573301843 /nfs/dbraw/zinc/30/18/43/573301843.db2.gz DLLDHZSJGGSRNY-AAEUAGOBSA-N 0 0 190.286 2.699 10 0 AFAERN Cc1ccc(C)c(C[C@@]2(O)C[C@H]2C)c1 86197862 573301862 /nfs/dbraw/zinc/30/18/62/573301862.db2.gz YUXUMOQLTYRESU-YPMHNXCESA-N 0 0 190.286 2.617 10 0 AFAERN Cc1cccc(CC[C@@]2(O)C[C@H]2C)c1 86198066 573301894 /nfs/dbraw/zinc/30/18/94/573301894.db2.gz JQUWFOIRACRSGV-DGCLKSJQSA-N 0 0 190.286 2.699 10 0 AFAERN CCc1ccsc1[C@]1(O)C[C@H]1C 86197350 573301985 /nfs/dbraw/zinc/30/19/85/573301985.db2.gz GIJGDSKUSAGUFD-XCBNKYQSSA-N 0 0 182.288 2.538 10 0 AFAERN CC[C@H](c1ccccc1)[C@]1(O)C[C@@H]1C 86197424 573301992 /nfs/dbraw/zinc/30/19/92/573301992.db2.gz ADWIHSZPOVDVKQ-UHTWSYAYSA-N 0 0 190.286 2.951 10 0 AFAERN C[C@@H]1C(=O)C[C@H]2CC[C@@H]1C2(C)C 197281471 573301995 /nfs/dbraw/zinc/30/19/95/573301995.db2.gz ABXBNWJKXXCADH-YIZRAAEISA-N 0 0 166.264 2.648 10 0 AFAERN C[C@H]1C[C@@]1(O)CC1CCCCC1 86197994 573301997 /nfs/dbraw/zinc/30/19/97/573301997.db2.gz ZSOZSFSGRRWSJR-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H]1C[C@@]1(O)c1ccc(Cl)cc1 86197136 573302019 /nfs/dbraw/zinc/30/20/19/573302019.db2.gz FAQAPSMEMKCXME-XVKPBYJWSA-N 0 0 182.650 2.567 10 0 AFAERN Cc1cccc2occ([C@H](C)O)c12 258001560 573302032 /nfs/dbraw/zinc/30/20/32/573302032.db2.gz WYZGPYFUIZQVOE-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccccc1C 86199810 573304612 /nfs/dbraw/zinc/30/46/12/573304612.db2.gz CFYJOVPPKOXIMM-CMPLNLGQSA-N 0 0 176.259 2.613 10 0 AFAERN C[C@H]1C[C@@]1(O)c1cccc(Cl)c1 86198559 573304615 /nfs/dbraw/zinc/30/46/15/573304615.db2.gz VASAMJDTGUHPMY-XVKPBYJWSA-N 0 0 182.650 2.567 10 0 AFAERN CNc1ccccc1C(=S)SC 238340972 573306347 /nfs/dbraw/zinc/30/63/47/573306347.db2.gz FDAZZXSZBNFJCK-UHFFFAOYSA-N 0 0 197.328 2.767 10 0 AFAERN Cc1cccc2c1cc([C@@H](C)O)n2C 258001835 573303651 /nfs/dbraw/zinc/30/36/51/573303651.db2.gz XBDPFBLEZUGRKH-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(C)c(F)c1 86199906 573303652 /nfs/dbraw/zinc/30/36/52/573303652.db2.gz UBYMCOYPPBGCRE-JOYOIKCWSA-N 0 0 194.249 2.752 10 0 AFAERN CCC(CC)[C@]1(O)C[C@@H]1CC 86200009 573303665 /nfs/dbraw/zinc/30/36/65/573303665.db2.gz RDBBRYPBIWJLEW-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(Cl)cc1 86199998 573303699 /nfs/dbraw/zinc/30/36/99/573303699.db2.gz ZGTAJJLPLYKVCB-KCJUWKMLSA-N 0 0 196.677 2.958 10 0 AFAERN CC[C@@H](CO)C1CCCCC1 116751132 573303759 /nfs/dbraw/zinc/30/37/59/573303759.db2.gz QDIKXUXEDJWUIM-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN CCn1cnc(C(=O)CCC(C)C)c1 308547567 573303768 /nfs/dbraw/zinc/30/37/68/573303768.db2.gz OOUVVTMQPRRPKK-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CCc1ccc([C@]2(O)C[C@@H]2CC)cc1 86199800 573303773 /nfs/dbraw/zinc/30/37/73/573303773.db2.gz VOFHDPLBYDABIZ-AAEUAGOBSA-N 0 0 190.286 2.867 10 0 AFAERN Cc1coc(N)c1-c1ccccc1 106519468 573303810 /nfs/dbraw/zinc/30/38/10/573303810.db2.gz VERXOIATYFACOC-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(C)cc1C 86200300 573303812 /nfs/dbraw/zinc/30/38/12/573303812.db2.gz DJBUBCHDHFOKQC-YPMHNXCESA-N 0 0 190.286 2.921 10 0 AFAERN Cc1ccc([C@@]2(O)C[C@@H]2C)cc1Cl 86198507 573303890 /nfs/dbraw/zinc/30/38/90/573303890.db2.gz VIHGDGCGADKDSC-GZMMTYOYSA-N 0 0 196.677 2.876 10 0 AFAERN CCc1ccsc1[C@]1(O)C[C@H]1CC 86200199 573303930 /nfs/dbraw/zinc/30/39/30/573303930.db2.gz PKOQFKRZXPEGEO-KOLCDFICSA-N 0 0 196.315 2.928 10 0 AFAERN C[C@H]1C[C@]1(O)c1cccc(Cl)c1 86198555 573303943 /nfs/dbraw/zinc/30/39/43/573303943.db2.gz VASAMJDTGUHPMY-OIBJUYFYSA-N 0 0 182.650 2.567 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(F)c(F)c1 86199484 573303949 /nfs/dbraw/zinc/30/39/49/573303949.db2.gz DYHHDRRWLSFAFR-RDDDGLTNSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cc(F)ccc1C 86199617 573303956 /nfs/dbraw/zinc/30/39/56/573303956.db2.gz UEDUTISMBACKPI-JOYOIKCWSA-N 0 0 194.249 2.752 10 0 AFAERN COc1ccc(Cl)c2cnsc12 238338687 573304031 /nfs/dbraw/zinc/30/40/31/573304031.db2.gz VHMALODFGWQFGC-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(C)c(F)c1 86199904 573304054 /nfs/dbraw/zinc/30/40/54/573304054.db2.gz UBYMCOYPPBGCRE-BXKDBHETSA-N 0 0 194.249 2.752 10 0 AFAERN CCn1c(C)cc(/C=C(\C)CO)c1C 211963518 573304060 /nfs/dbraw/zinc/30/40/60/573304060.db2.gz JMFFIXXSYITDSX-RMKNXTFCSA-N 0 0 193.290 2.520 10 0 AFAERN COc1ccc(Cl)c2sncc12 238339210 573304070 /nfs/dbraw/zinc/30/40/70/573304070.db2.gz YYKUIVPJCDSBEI-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cccc(F)c1F 86199584 573304102 /nfs/dbraw/zinc/30/41/02/573304102.db2.gz CMBMJFQTUDHLQC-WRWORJQWSA-N 0 0 198.212 2.582 10 0 AFAERN Cc1cccc2occ([C@@H](C)O)c12 258001555 573304130 /nfs/dbraw/zinc/30/41/30/573304130.db2.gz WYZGPYFUIZQVOE-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(C)c(F)c1 86199908 573304148 /nfs/dbraw/zinc/30/41/48/573304148.db2.gz UBYMCOYPPBGCRE-SKDRFNHKSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cccc(C)c1C 86199824 573304163 /nfs/dbraw/zinc/30/41/63/573304163.db2.gz UURDVOOCMIXTLV-DGCLKSJQSA-N 0 0 190.286 2.921 10 0 AFAERN CCc1ccsc1[C@]1(O)C[C@@H]1CC 86200195 573304175 /nfs/dbraw/zinc/30/41/75/573304175.db2.gz PKOQFKRZXPEGEO-ONGXEEELSA-N 0 0 196.315 2.928 10 0 AFAERN CC(C)=C(F)C(=O)O[C@@H](C)C(C)C 393583747 573304232 /nfs/dbraw/zinc/30/42/32/573304232.db2.gz MVZSVHDSCTZNJK-QMMMGPOBSA-N 0 0 188.242 2.838 10 0 AFAERN Cc1coc(N)c1-c1ccc(F)cc1 106519495 573304244 /nfs/dbraw/zinc/30/42/44/573304244.db2.gz JXNGFPWQJXYAMW-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN CCC[C@H](C)[C@@]1(O)C[C@@H]1CC 86199849 573304317 /nfs/dbraw/zinc/30/43/17/573304317.db2.gz PPUSYLCZAALJQK-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cc(C)ccc1C 86199464 573304340 /nfs/dbraw/zinc/30/43/40/573304340.db2.gz ALBQBEYRNQOBJB-AAEUAGOBSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(Cl)cc1 86199993 573304346 /nfs/dbraw/zinc/30/43/46/573304346.db2.gz ZGTAJJLPLYKVCB-LDYMZIIASA-N 0 0 196.677 2.958 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cc(C)c(C)s1 86199716 573304368 /nfs/dbraw/zinc/30/43/68/573304368.db2.gz OBOVTPLTWIQXQC-GXSJLCMTSA-N 0 0 196.315 2.982 10 0 AFAERN CC[C@H]1C[C@]1(O)CCC(C)C 86200099 573304402 /nfs/dbraw/zinc/30/44/02/573304402.db2.gz OMTBFCTUKNMJGF-VHSXEESVSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1C[C@]1(O)Cc1ccccc1C 86199420 573304416 /nfs/dbraw/zinc/30/44/16/573304416.db2.gz QEJBHSKPEHCUQV-CHWSQXEVSA-N 0 0 190.286 2.699 10 0 AFAERN CC[C@@H]1C[C@@]1(O)CC(C)(C)C 86200267 573304434 /nfs/dbraw/zinc/30/44/34/573304434.db2.gz LZPGKUZVXSQIMH-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(C)cc1C 86200302 573304487 /nfs/dbraw/zinc/30/44/87/573304487.db2.gz DJBUBCHDHFOKQC-AAEUAGOBSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cc(F)ccc1C 86199621 573304541 /nfs/dbraw/zinc/30/45/41/573304541.db2.gz UEDUTISMBACKPI-CABZTGNLSA-N 0 0 194.249 2.752 10 0 AFAERN CCc1cc(OC)ccc1CF 238340892 573304550 /nfs/dbraw/zinc/30/45/50/573304550.db2.gz BSUZNYQZZSNXAF-UHFFFAOYSA-N 0 0 168.211 2.727 10 0 AFAERN CCc1cc(OC)cc2sncc12 238340712 573304601 /nfs/dbraw/zinc/30/46/01/573304601.db2.gz CRQNYWUZBKANGQ-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN Cc1ccc([C@@]2(O)C[C@H]2C)cc1C 86198492 573304658 /nfs/dbraw/zinc/30/46/58/573304658.db2.gz ABFFDOKUPJNAID-ZYHUDNBSSA-N 0 0 176.259 2.531 10 0 AFAERN CCOC(=O)c1cc(C2CC2)cs1 259606328 573304721 /nfs/dbraw/zinc/30/47/21/573304721.db2.gz DHWDQJDVSKTOAB-UHFFFAOYSA-N 0 0 196.271 2.802 10 0 AFAERN Cc1ccc([C@]2(O)C[C@H]2C)cc1C 86198491 573304731 /nfs/dbraw/zinc/30/47/31/573304731.db2.gz ABFFDOKUPJNAID-PWSUYJOCSA-N 0 0 176.259 2.531 10 0 AFAERN Cc1ccc([C@@]2(O)C[C@H]2C)cc1Cl 86198510 573304744 /nfs/dbraw/zinc/30/47/44/573304744.db2.gz VIHGDGCGADKDSC-LDYMZIIASA-N 0 0 196.677 2.876 10 0 AFAERN CCO[C@@H](C)C(=O)C1CCCCCC1 129459509 573304749 /nfs/dbraw/zinc/30/47/49/573304749.db2.gz JDOJYDDIUDWPAR-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN CCC[C@H](C)[C@]1(O)C[C@@H]1CC 86199844 573304780 /nfs/dbraw/zinc/30/47/80/573304780.db2.gz PPUSYLCZAALJQK-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN CNOC/C=C/c1ccc(Cl)cc1 258490789 573304800 /nfs/dbraw/zinc/30/48/00/573304800.db2.gz CGGVTTQPMIPOMT-NSCUHMNNSA-N 0 0 197.665 2.504 10 0 AFAERN CCC(CC)[C@@]1(O)C[C@@H]1CC 86200005 573304816 /nfs/dbraw/zinc/30/48/16/573304816.db2.gz RDBBRYPBIWJLEW-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cccc(F)c1F 86199581 573304844 /nfs/dbraw/zinc/30/48/44/573304844.db2.gz CMBMJFQTUDHLQC-RDDDGLTNSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cccc(F)c1F 86199587 573304860 /nfs/dbraw/zinc/30/48/60/573304860.db2.gz CMBMJFQTUDHLQC-CPCISQLKSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@@]1(O)CCC(C)C 86200104 573304881 /nfs/dbraw/zinc/30/48/81/573304881.db2.gz OMTBFCTUKNMJGF-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H]1C[C@]1(O)Cc1ccccc1C 86199421 573304960 /nfs/dbraw/zinc/30/49/60/573304960.db2.gz QEJBHSKPEHCUQV-QWHCGFSZSA-N 0 0 190.286 2.699 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(C)c(F)c1 86199910 573304969 /nfs/dbraw/zinc/30/49/69/573304969.db2.gz UBYMCOYPPBGCRE-CABZTGNLSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cccc(F)c1F 86199586 573304993 /nfs/dbraw/zinc/30/49/93/573304993.db2.gz CMBMJFQTUDHLQC-HQJQHLMTSA-N 0 0 198.212 2.582 10 0 AFAERN C[C@@H]1C[C@@]1(O)c1cccc(Cl)c1 86198557 573305027 /nfs/dbraw/zinc/30/50/27/573305027.db2.gz VASAMJDTGUHPMY-XCBNKYQSSA-N 0 0 182.650 2.567 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cc(C)c(C)s1 86199718 573305035 /nfs/dbraw/zinc/30/50/35/573305035.db2.gz OBOVTPLTWIQXQC-KOLCDFICSA-N 0 0 196.315 2.982 10 0 AFAERN CC[C@H]1C[C@]1(O)Cc1cccc(F)c1 86199512 573305068 /nfs/dbraw/zinc/30/50/68/573305068.db2.gz ZFSFLBQJUATGFP-CMPLNLGQSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cc(C)cc(C)c1 86200015 573305742 /nfs/dbraw/zinc/30/57/42/573305742.db2.gz NTCKZUOFRZVEAH-YPMHNXCESA-N 0 0 190.286 2.921 10 0 AFAERN C[C@H](O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 308342567 573305164 /nfs/dbraw/zinc/30/51/64/573305164.db2.gz JLZVUQZAPSJJPN-IAWRQBKOSA-N 0 0 192.258 2.797 10 0 AFAERN CCO[C@H](C)C(=O)C1CCCCCC1 129459699 573305300 /nfs/dbraw/zinc/30/53/00/573305300.db2.gz JDOJYDDIUDWPAR-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)C[C@@H](C)/C=C/[C@@H](C)O 116792338 573305301 /nfs/dbraw/zinc/30/53/01/573305301.db2.gz UVYROSKWZGSRTE-FQNVXPIYSA-N 0 0 156.269 2.606 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccccc1C 86199815 573305328 /nfs/dbraw/zinc/30/53/28/573305328.db2.gz CFYJOVPPKOXIMM-JQWIXIFHSA-N 0 0 176.259 2.613 10 0 AFAERN Cc1c(-c2cccc(Cl)c2)c1=O 258624725 573305342 /nfs/dbraw/zinc/30/53/42/573305342.db2.gz BUBLUZADACQIOP-UHFFFAOYSA-N 0 0 178.618 2.551 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cccc(C)c1C 86199829 573305346 /nfs/dbraw/zinc/30/53/46/573305346.db2.gz UURDVOOCMIXTLV-YPMHNXCESA-N 0 0 190.286 2.921 10 0 AFAERN Cc1coc([C@](C)(O)[C@H]2CC2(C)C)c1 715763261 573305349 /nfs/dbraw/zinc/30/53/49/573305349.db2.gz OGNCWNGNDFVILG-JOYOIKCWSA-N 0 0 194.274 2.842 10 0 AFAERN CCCC1(c2cnc([C@H](C)N)o2)CC1 308544469 573305352 /nfs/dbraw/zinc/30/53/52/573305352.db2.gz PEVXZTDICITYOV-QMMMGPOBSA-N 0 0 194.278 2.526 10 0 AFAERN Cc1coc([C@](C)(O)[C@@H]2CC2(C)C)c1 715763059 573305373 /nfs/dbraw/zinc/30/53/73/573305373.db2.gz OGNCWNGNDFVILG-BXKDBHETSA-N 0 0 194.274 2.842 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(F)c(F)c1 86199486 573305379 /nfs/dbraw/zinc/30/53/79/573305379.db2.gz DYHHDRRWLSFAFR-WRWORJQWSA-N 0 0 198.212 2.582 10 0 AFAERN Cc1oc(N)nc1[C@@H]1CCCCS1 257999590 573305396 /nfs/dbraw/zinc/30/53/96/573305396.db2.gz GGIKUYSEHXXPAR-ZETCQYMHSA-N 0 0 198.291 2.523 10 0 AFAERN Cc1oc(N)nc1[C@H]1CCCCS1 257999587 573305463 /nfs/dbraw/zinc/30/54/63/573305463.db2.gz GGIKUYSEHXXPAR-SSDOTTSWSA-N 0 0 198.291 2.523 10 0 AFAERN CC[C@@H]1C[C@]1(O)CCC(C)C 86200097 573305584 /nfs/dbraw/zinc/30/55/84/573305584.db2.gz OMTBFCTUKNMJGF-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN CCc1ccc([C@@]2(CO)C[C@H]2C)cc1 259075474 573305587 /nfs/dbraw/zinc/30/55/87/573305587.db2.gz YRPBZNNRSIEDDI-ZWNOBZJWSA-N 0 0 190.286 2.519 10 0 AFAERN CCc1ccc([C@]2(O)C[C@H]2CC)cc1 86199804 573305631 /nfs/dbraw/zinc/30/56/31/573305631.db2.gz VOFHDPLBYDABIZ-YPMHNXCESA-N 0 0 190.286 2.867 10 0 AFAERN Cc1ccc([C@]2(O)C[C@@H]2C)cc1Cl 86198505 573305667 /nfs/dbraw/zinc/30/56/67/573305667.db2.gz VIHGDGCGADKDSC-KWQFWETISA-N 0 0 196.677 2.876 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cc(C)c(C)s1 86199714 573305674 /nfs/dbraw/zinc/30/56/74/573305674.db2.gz OBOVTPLTWIQXQC-MWLCHTKSSA-N 0 0 196.315 2.982 10 0 AFAERN CCCC[C@H]1C(=O)CC[C@@H]1C 116670889 573306394 /nfs/dbraw/zinc/30/63/94/573306394.db2.gz UNFAFRUGXNDKON-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1coc([C@@](C)(O)[C@@H]2CC2(C)C)c1 715763262 573306424 /nfs/dbraw/zinc/30/64/24/573306424.db2.gz OGNCWNGNDFVILG-SKDRFNHKSA-N 0 0 194.274 2.842 10 0 AFAERN COc1cccc(NCCCCF)c1 308543361 573306511 /nfs/dbraw/zinc/30/65/11/573306511.db2.gz OTPQUOVGPSBOGI-UHFFFAOYSA-N 0 0 197.253 2.857 10 0 AFAERN Cc1cccc(C2(O)CC(C)C2)c1 224872810 573306553 /nfs/dbraw/zinc/30/65/53/573306553.db2.gz LZZNGSCQBKYQHH-UHFFFAOYSA-N 0 0 176.259 2.613 10 0 AFAERN CCCC1([C@@H](O)Cc2ccco2)CC1 308543882 573307007 /nfs/dbraw/zinc/30/70/07/573307007.db2.gz OVHWJOIPEYQLJT-NSHDSACASA-N 0 0 194.274 2.763 10 0 AFAERN Cc1cc(-c2ccc(F)cc2)c(N)o1 106517883 573306577 /nfs/dbraw/zinc/30/65/77/573306577.db2.gz JLGUFMLQUIBAPP-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cc(F)ccc1F 86200812 573306674 /nfs/dbraw/zinc/30/66/74/573306674.db2.gz ICVWRRMWVXZPGB-HQJQHLMTSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(C)s1 86200516 573306717 /nfs/dbraw/zinc/30/67/17/573306717.db2.gz VNZVEYLRBUUZEK-WCBMZHEXSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cc(C)ccc1F 86200327 573306745 /nfs/dbraw/zinc/30/67/45/573306745.db2.gz MQUJGYLGMFFJBC-CABZTGNLSA-N 0 0 194.249 2.752 10 0 AFAERN CCc1ccc([C@]2(O)C[C@@H]2CC)s1 86200669 573306772 /nfs/dbraw/zinc/30/67/72/573306772.db2.gz QHCBOBDPVJUNIX-KWQFWETISA-N 0 0 196.315 2.928 10 0 AFAERN Cc1cc(-c2cccc(F)c2)c(N)o1 106517886 573306826 /nfs/dbraw/zinc/30/68/26/573306826.db2.gz LDWBSEGNMJTKLH-UHFFFAOYSA-N 0 0 191.205 2.976 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1c(F)cccc1F 86201068 573306837 /nfs/dbraw/zinc/30/68/37/573306837.db2.gz LUGHZAQKAKFWNW-RDDDGLTNSA-N 0 0 198.212 2.582 10 0 AFAERN OCc1cccc([C@@H]2C[C@H]2C(F)F)c1 257999597 573306843 /nfs/dbraw/zinc/30/68/43/573306843.db2.gz GGJXDHXCPHUFSA-VHSXEESVSA-N 0 0 198.212 2.548 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cc(F)cc(F)c1 86201107 573306851 /nfs/dbraw/zinc/30/68/51/573306851.db2.gz LPFYHWNMBZZJHD-WRWORJQWSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cc(F)ccc1F 86200814 573306875 /nfs/dbraw/zinc/30/68/75/573306875.db2.gz ICVWRRMWVXZPGB-CPCISQLKSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cc(F)ccc1F 86200810 573306917 /nfs/dbraw/zinc/30/69/17/573306917.db2.gz ICVWRRMWVXZPGB-WRWORJQWSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccccc1Cl 86200527 573306960 /nfs/dbraw/zinc/30/69/60/573306960.db2.gz XJJMWYAFKFIITK-KCJUWKMLSA-N 0 0 196.677 2.958 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1sccc1C 86201058 573306978 /nfs/dbraw/zinc/30/69/78/573306978.db2.gz XUDQNYFHFYHYPS-SCZZXKLOSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@@H]1C[C@@]1(O)C(C)(C)CC 86200433 573307086 /nfs/dbraw/zinc/30/70/86/573307086.db2.gz QSZGALZZJHAPSC-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cc(C)oc1C 86200333 573307091 /nfs/dbraw/zinc/30/70/91/573307091.db2.gz CBHIEKVXZFKZHR-KOLCDFICSA-N 0 0 180.247 2.514 10 0 AFAERN CC[C@H]1C[C@@]1(O)Cc1ccc(C)cc1 86200923 573307116 /nfs/dbraw/zinc/30/71/16/573307116.db2.gz HBVAJGOWAWXCDF-STQMWFEESA-N 0 0 190.286 2.699 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cccc(C)c1 86200595 573307157 /nfs/dbraw/zinc/30/71/57/573307157.db2.gz BSLGHOUYLUGVLA-CMPLNLGQSA-N 0 0 176.259 2.613 10 0 AFAERN CC[C@H]1C[C@]1(O)c1sccc1C 86201057 573307166 /nfs/dbraw/zinc/30/71/66/573307166.db2.gz XUDQNYFHFYHYPS-WCBMZHEXSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@H]1C[C@]1(O)Cc1cccc(C)c1 86201380 573307216 /nfs/dbraw/zinc/30/72/16/573307216.db2.gz RDAAZZWIWYOCBD-QWHCGFSZSA-N 0 0 190.286 2.699 10 0 AFAERN CC[C@H]1C[C@@]1(O)Cc1ccc(F)cc1 86201264 573307233 /nfs/dbraw/zinc/30/72/33/573307233.db2.gz CZXLZQIFXDCROV-JQWIXIFHSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1c(C)oc(C)c1C 86201166 573307265 /nfs/dbraw/zinc/30/72/65/573307265.db2.gz BJTVSKQMMHJTLQ-PWSUYJOCSA-N 0 0 194.274 2.822 10 0 AFAERN CC[C@H]1C[C@]1(O)Cc1ccc(C)cc1 86200918 573307319 /nfs/dbraw/zinc/30/73/19/573307319.db2.gz HBVAJGOWAWXCDF-QWHCGFSZSA-N 0 0 190.286 2.699 10 0 AFAERN CCCC1(c2cnc([C@@H](C)N)o2)CC1 308544467 573307329 /nfs/dbraw/zinc/30/73/29/573307329.db2.gz PEVXZTDICITYOV-MRVPVSSYSA-N 0 0 194.278 2.526 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(C)cc1 86200532 573307349 /nfs/dbraw/zinc/30/73/49/573307349.db2.gz RRHKWVMTCCLDRG-CMPLNLGQSA-N 0 0 176.259 2.613 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(F)cc1F 86200542 573307393 /nfs/dbraw/zinc/30/73/93/573307393.db2.gz MRASLVLPNFDPPT-HQJQHLMTSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@@H]1C[C@@]1(O)Cc1cccc(C)c1 86201381 573307992 /nfs/dbraw/zinc/30/79/92/573307992.db2.gz RDAAZZWIWYOCBD-OLZOCXBDSA-N 0 0 190.286 2.699 10 0 AFAERN CC[C@@H]1C[C@]1(O)C1C(C)(C)C1(C)C 86201205 573307442 /nfs/dbraw/zinc/30/74/42/573307442.db2.gz ULXYLOPAMOZCFH-PRHODGIISA-N 0 0 182.307 2.830 10 0 AFAERN C=Cc1cc(C)nc2[nH]ccc12 209767963 573307477 /nfs/dbraw/zinc/30/74/77/573307477.db2.gz ZRQBNSMSBLYUKY-UHFFFAOYSA-N 0 0 158.204 2.514 10 0 AFAERN CCCNc1n[nH]c(C2CC2)c1CC 308544397 573307526 /nfs/dbraw/zinc/30/75/26/573307526.db2.gz NOVAWFFPJINFRF-UHFFFAOYSA-N 0 0 193.294 2.671 10 0 AFAERN CC[C@H]1C[C@]1(O)C1C(C)(C)C1(C)C 86201207 573307549 /nfs/dbraw/zinc/30/75/49/573307549.db2.gz ULXYLOPAMOZCFH-QPUJVOFHSA-N 0 0 182.307 2.830 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(C)c(C)c1 86201323 573307572 /nfs/dbraw/zinc/30/75/72/573307572.db2.gz YVLOYRMKYPHSGW-DGCLKSJQSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cc(C)oc1C 86200331 573307586 /nfs/dbraw/zinc/30/75/86/573307586.db2.gz CBHIEKVXZFKZHR-GXSJLCMTSA-N 0 0 180.247 2.514 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1c(C)oc(C)c1C 86201162 573307592 /nfs/dbraw/zinc/30/75/92/573307592.db2.gz BJTVSKQMMHJTLQ-ZYHUDNBSSA-N 0 0 194.274 2.822 10 0 AFAERN CC[C@H]1C[C@]1(O)c1c(C)oc(C)c1C 86201163 573307625 /nfs/dbraw/zinc/30/76/25/573307625.db2.gz BJTVSKQMMHJTLQ-CMPLNLGQSA-N 0 0 194.274 2.822 10 0 AFAERN CC[C@H]1C[C@]1(O)Cc1ccc(F)cc1 86201260 573307633 /nfs/dbraw/zinc/30/76/33/573307633.db2.gz CZXLZQIFXDCROV-CMPLNLGQSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(C)cc1 86200534 573307656 /nfs/dbraw/zinc/30/76/56/573307656.db2.gz RRHKWVMTCCLDRG-PWSUYJOCSA-N 0 0 176.259 2.613 10 0 AFAERN CC[C@@H]1C[C@]1(O)Cc1ccc(C)cc1 86200916 573307663 /nfs/dbraw/zinc/30/76/63/573307663.db2.gz HBVAJGOWAWXCDF-CHWSQXEVSA-N 0 0 190.286 2.699 10 0 AFAERN COCc1c(C)cc(OC)c(C)c1C 259411848 573307701 /nfs/dbraw/zinc/30/77/01/573307701.db2.gz ONXAZUJNGMGMST-UHFFFAOYSA-N 0 0 194.274 2.767 10 0 AFAERN CCc1ccc([C@]2(CO)C[C@@H]2C)cc1 259075463 573307758 /nfs/dbraw/zinc/30/77/58/573307758.db2.gz YRPBZNNRSIEDDI-GWCFXTLKSA-N 0 0 190.286 2.519 10 0 AFAERN CCc1ccc([C@]2(CO)C[C@H]2C)cc1 259075471 573307782 /nfs/dbraw/zinc/30/77/82/573307782.db2.gz YRPBZNNRSIEDDI-MFKMUULPSA-N 0 0 190.286 2.519 10 0 AFAERN CCc1ccc([C@]2(O)C[C@H]2CC)s1 86200673 573307792 /nfs/dbraw/zinc/30/77/92/573307792.db2.gz QHCBOBDPVJUNIX-KCJUWKMLSA-N 0 0 196.315 2.928 10 0 AFAERN Cc1cc(-c2ccccc2)c(N)o1 106517856 573307824 /nfs/dbraw/zinc/30/78/24/573307824.db2.gz GYHROTMNXXQOPX-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN CC[C@H]1C[C@]1(O)Cc1ccccc1F 86200879 573307826 /nfs/dbraw/zinc/30/78/26/573307826.db2.gz JRXQEFDGQZGFCE-CMPLNLGQSA-N 0 0 194.249 2.529 10 0 AFAERN CCc1ccc([C@@]2(CO)C[C@@H]2C)cc1 259075466 573307831 /nfs/dbraw/zinc/30/78/31/573307831.db2.gz YRPBZNNRSIEDDI-GXFFZTMASA-N 0 0 190.286 2.519 10 0 AFAERN C=Cc1ccc(C)c(NC(C)=O)c1 224862932 573307842 /nfs/dbraw/zinc/30/78/42/573307842.db2.gz QKSDREPOUYPMEK-UHFFFAOYSA-N 0 0 175.231 2.596 10 0 AFAERN CCSC[C@H]1Cc2ccccc2N1 258254921 573307849 /nfs/dbraw/zinc/30/78/49/573307849.db2.gz TWPSUBXXXKRACU-SNVBAGLBSA-N 0 0 193.315 2.776 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccccc1Cl 86200525 573307901 /nfs/dbraw/zinc/30/79/01/573307901.db2.gz XJJMWYAFKFIITK-GZMMTYOYSA-N 0 0 196.677 2.958 10 0 AFAERN CC[C@H]1C[C@@]1(O)Cc1cccc(C)c1 86201384 573307910 /nfs/dbraw/zinc/30/79/10/573307910.db2.gz RDAAZZWIWYOCBD-STQMWFEESA-N 0 0 190.286 2.699 10 0 AFAERN CCc1cc(OC)cc2cnsc12 238340596 573307916 /nfs/dbraw/zinc/30/79/16/573307916.db2.gz AHABUNQRKVPIQO-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN CC[C@@H]1C[C@]1(O)Cc1ccccc1F 86200877 573307946 /nfs/dbraw/zinc/30/79/46/573307946.db2.gz JRXQEFDGQZGFCE-ZYHUDNBSSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cccc(Cl)c1 86201406 573307955 /nfs/dbraw/zinc/30/79/55/573307955.db2.gz KJIYKROATNQBNV-KCJUWKMLSA-N 0 0 196.677 2.958 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cccc(C)c1 86200597 573308558 /nfs/dbraw/zinc/30/85/58/573308558.db2.gz BSLGHOUYLUGVLA-PWSUYJOCSA-N 0 0 176.259 2.613 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cc(F)ccc1F 86200808 573309618 /nfs/dbraw/zinc/30/96/18/573309618.db2.gz ICVWRRMWVXZPGB-RDDDGLTNSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cc(C)ccc1F 86200323 573308597 /nfs/dbraw/zinc/30/85/97/573308597.db2.gz MQUJGYLGMFFJBC-JOYOIKCWSA-N 0 0 194.249 2.752 10 0 AFAERN Cc1ccccc1[C@@]1(CO)CC1(C)C 259081080 573308617 /nfs/dbraw/zinc/30/86/17/573308617.db2.gz ZMVLUJGRGHLFIE-ZDUSSCGKSA-N 0 0 190.286 2.655 10 0 AFAERN Cc1ccc(C2=C[C@H](O)CC2)cc1F 223997808 573308668 /nfs/dbraw/zinc/30/86/68/573308668.db2.gz HLRNYPZREZPEQU-LLVKDONJSA-N 0 0 192.233 2.672 10 0 AFAERN CC[C@H]1C[C@]1(O)CC1CCCC1 86200553 573309742 /nfs/dbraw/zinc/30/97/42/573309742.db2.gz QLEOSIXSKWNLFT-WDEREUQCSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cc(C)oc1C 86200330 573308685 /nfs/dbraw/zinc/30/86/85/573308685.db2.gz CBHIEKVXZFKZHR-MWLCHTKSSA-N 0 0 180.247 2.514 10 0 AFAERN CC[C@@H]1C[C@]1(O)Cc1cccc(C)c1 86201378 573308691 /nfs/dbraw/zinc/30/86/91/573308691.db2.gz RDAAZZWIWYOCBD-CHWSQXEVSA-N 0 0 190.286 2.699 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cc(C)ccc1F 86200320 573309745 /nfs/dbraw/zinc/30/97/45/573309745.db2.gz MQUJGYLGMFFJBC-BXKDBHETSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@H]1C[C@@]1(O)C1CCCCC1 86201089 573308773 /nfs/dbraw/zinc/30/87/73/573308773.db2.gz PWXUIIDDIZERFT-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(C)s1 86200518 573308784 /nfs/dbraw/zinc/30/87/84/573308784.db2.gz VNZVEYLRBUUZEK-SCZZXKLOSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@H]1C[C@@]1(O)C(C)(C)CC 86200435 573308788 /nfs/dbraw/zinc/30/87/88/573308788.db2.gz QSZGALZZJHAPSC-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc([C@@H]2CC[C@H](O)C2)cc1F 223995199 573308802 /nfs/dbraw/zinc/30/88/02/573308802.db2.gz ZUJXWQNTRJNZCO-KOLCDFICSA-N 0 0 194.249 2.763 10 0 AFAERN CC[C@@H]1C[C@@]1(O)Cc1ccc(F)cc1 86201262 573308813 /nfs/dbraw/zinc/30/88/13/573308813.db2.gz CZXLZQIFXDCROV-PWSUYJOCSA-N 0 0 194.249 2.529 10 0 AFAERN C[C@@H](N[C@H](C)C(F)(F)F)C(C)(C)C 308343860 573308819 /nfs/dbraw/zinc/30/88/19/573308819.db2.gz SVNPVGCSBONSHH-RNFRBKRXSA-N 0 0 197.244 2.961 10 0 AFAERN CC[C@@H]1C[C@]1(O)C1CCCCC1 86201083 573308830 /nfs/dbraw/zinc/30/88/30/573308830.db2.gz PWXUIIDDIZERFT-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H](OC)[C@H](O)CCC(C)(C)C 132445167 573308861 /nfs/dbraw/zinc/30/88/61/573308861.db2.gz MGKVEJZLUXWWCJ-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H]1C[C@@]1(O)CC1CCCC1 86200558 573308910 /nfs/dbraw/zinc/30/89/10/573308910.db2.gz QLEOSIXSKWNLFT-QWRGUYRKSA-N 0 0 168.280 2.728 10 0 AFAERN CCn1c(C(C)C)c[nH]c1=S 82944622 573309755 /nfs/dbraw/zinc/30/97/55/573309755.db2.gz JVVXHGUCEVZPTL-UHFFFAOYSA-N 0 0 170.281 2.689 10 0 AFAERN CC[C@H]1C[C@]1(O)c1ccc(C)c(C)c1 86201326 573308978 /nfs/dbraw/zinc/30/89/78/573308978.db2.gz YVLOYRMKYPHSGW-WCQYABFASA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@@H]1C[C@@]1(O)C1C(C)(C)C1(C)C 86201209 573309008 /nfs/dbraw/zinc/30/90/08/573309008.db2.gz ULXYLOPAMOZCFH-PELKAZGASA-N 0 0 182.307 2.830 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(C)s1 86200521 573309017 /nfs/dbraw/zinc/30/90/17/573309017.db2.gz VNZVEYLRBUUZEK-WPRPVWTQSA-N 0 0 182.288 2.674 10 0 AFAERN CC[C@H]1C[C@@]1(O)Cc1ccccc1F 86200883 573309022 /nfs/dbraw/zinc/30/90/22/573309022.db2.gz JRXQEFDGQZGFCE-JQWIXIFHSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@@H]1C[C@@]1(O)C1CCCCC1 86201087 573309061 /nfs/dbraw/zinc/30/90/61/573309061.db2.gz PWXUIIDDIZERFT-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H]1C[C@]1(O)c1c(F)cccc1F 86201071 573309090 /nfs/dbraw/zinc/30/90/90/573309090.db2.gz LUGHZAQKAKFWNW-WRWORJQWSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@@H]1C[C@]1(O)CC1CCCC1 86200552 573309113 /nfs/dbraw/zinc/30/91/13/573309113.db2.gz QLEOSIXSKWNLFT-GHMZBOCLSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H]1C[C@]1(O)C(C)(C)CC 86200428 573309129 /nfs/dbraw/zinc/30/91/29/573309129.db2.gz QSZGALZZJHAPSC-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(F)c(C)c1 86200607 573309770 /nfs/dbraw/zinc/30/97/70/573309770.db2.gz AHWXBQAXRBCOCV-BXKDBHETSA-N 0 0 194.249 2.752 10 0 AFAERN CCSC[C@@H]1Cc2ccccc2N1 258254916 573309223 /nfs/dbraw/zinc/30/92/23/573309223.db2.gz TWPSUBXXXKRACU-JTQLQIEISA-N 0 0 193.315 2.776 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cc(F)cc(F)c1 86201105 573309231 /nfs/dbraw/zinc/30/92/31/573309231.db2.gz LPFYHWNMBZZJHD-RDDDGLTNSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cccc(Cl)c1 86201408 573309293 /nfs/dbraw/zinc/30/92/93/573309293.db2.gz KJIYKROATNQBNV-KWQFWETISA-N 0 0 196.677 2.958 10 0 AFAERN C=Cc1cc(Cl)cnc1C 209766413 573309354 /nfs/dbraw/zinc/30/93/54/573309354.db2.gz POWZVLGFMSMFSF-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN CCc1ccc([C@@]2(O)C[C@H]2CC)s1 86200675 573309368 /nfs/dbraw/zinc/30/93/68/573309368.db2.gz QHCBOBDPVJUNIX-LDYMZIIASA-N 0 0 196.315 2.928 10 0 AFAERN CC[C@@H]1C[C@]1(O)Cc1ccc(F)cc1 86201258 573309373 /nfs/dbraw/zinc/30/93/73/573309373.db2.gz CZXLZQIFXDCROV-ZYHUDNBSSA-N 0 0 194.249 2.529 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cc(F)cc(F)c1 86201110 573309381 /nfs/dbraw/zinc/30/93/81/573309381.db2.gz LPFYHWNMBZZJHD-CPCISQLKSA-N 0 0 198.212 2.582 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1cc(C)ccc1F 86200324 573309780 /nfs/dbraw/zinc/30/97/80/573309780.db2.gz MQUJGYLGMFFJBC-SKDRFNHKSA-N 0 0 194.249 2.752 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cccc(Cl)c1 86201401 573309415 /nfs/dbraw/zinc/30/94/15/573309415.db2.gz KJIYKROATNQBNV-LDYMZIIASA-N 0 0 196.677 2.958 10 0 AFAERN C=Cc1cnc(C)cc1Cl 209765529 573309459 /nfs/dbraw/zinc/30/94/59/573309459.db2.gz GWTBUWUVBUDQGG-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN OCc1cccc([C@H]2C[C@@H]2C(F)F)c1 257999599 573309486 /nfs/dbraw/zinc/30/94/86/573309486.db2.gz GGJXDHXCPHUFSA-ZJUUUORDSA-N 0 0 198.212 2.548 10 0 AFAERN CC[C@H]1C[C@]1(O)C1CCCCC1 86201085 573309503 /nfs/dbraw/zinc/30/95/03/573309503.db2.gz PWXUIIDDIZERFT-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN CC1CCC(C[C@@H](NN)C(C)C)CC1 308545096 573309505 /nfs/dbraw/zinc/30/95/05/573309505.db2.gz VKIDMGBENKTFPR-HTAVTVPLSA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cccc(C)c1 86200593 573309573 /nfs/dbraw/zinc/30/95/73/573309573.db2.gz BSLGHOUYLUGVLA-ZYHUDNBSSA-N 0 0 176.259 2.613 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(C)c(C)c1 86201327 573309613 /nfs/dbraw/zinc/30/96/13/573309613.db2.gz YVLOYRMKYPHSGW-YPMHNXCESA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1ccc(F)cc1F 86200538 573309666 /nfs/dbraw/zinc/30/96/66/573309666.db2.gz MRASLVLPNFDPPT-RDDDGLTNSA-N 0 0 198.212 2.582 10 0 AFAERN Cc1ccc([C@@H]2CC[C@@H](O)C2)cc1F 223995091 573309643 /nfs/dbraw/zinc/30/96/43/573309643.db2.gz ZUJXWQNTRJNZCO-MWLCHTKSSA-N 0 0 194.249 2.763 10 0 AFAERN CC(=O)c1c[nH]c([C@@H](C)CC(C)C)n1 308548649 573309696 /nfs/dbraw/zinc/30/96/96/573309696.db2.gz OYPYXVUQAHZALE-QMMMGPOBSA-N 0 0 194.278 2.762 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(C)c(C)c1 86201329 573309715 /nfs/dbraw/zinc/30/97/15/573309715.db2.gz YVLOYRMKYPHSGW-AAEUAGOBSA-N 0 0 190.286 2.921 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1cccc(C)c1 86200598 573309722 /nfs/dbraw/zinc/30/97/22/573309722.db2.gz BSLGHOUYLUGVLA-JQWIXIFHSA-N 0 0 176.259 2.613 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(F)cc1F 86200544 573309725 /nfs/dbraw/zinc/30/97/25/573309725.db2.gz MRASLVLPNFDPPT-CPCISQLKSA-N 0 0 198.212 2.582 10 0 AFAERN CC(C)/C(=C\c1ccsc1)CO 86209592 573310780 /nfs/dbraw/zinc/31/07/80/573310780.db2.gz MJSMXQVXNPRBER-YHYXMXQVSA-N 0 0 182.288 2.780 10 0 AFAERN CCC[C@H]1C[C@@]1(O)C1CCCC1 86202796 573311564 /nfs/dbraw/zinc/31/15/64/573311564.db2.gz UMPFZRFRIOLMHP-WDEREUQCSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H](N[C@H](C)C(C)(C)C)C(F)(F)F 308343861 573310555 /nfs/dbraw/zinc/31/05/55/573310555.db2.gz SVNPVGCSBONSHH-RQJHMYQMSA-N 0 0 197.244 2.961 10 0 AFAERN CC(C)(C)C[C@@H](O)c1ccccn1 224014778 573310787 /nfs/dbraw/zinc/31/07/87/573310787.db2.gz UKDZQDOKZPGFKW-SNVBAGLBSA-N 0 0 179.263 2.551 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1ccccc1 86202719 573310822 /nfs/dbraw/zinc/31/08/22/573310822.db2.gz UVLIYLSZISQRHS-NWDGAFQWSA-N 0 0 176.259 2.694 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1cccc(F)c1 86202803 573310840 /nfs/dbraw/zinc/31/08/40/573310840.db2.gz WAANZIRSWAJJHA-ZYHUDNBSSA-N 0 0 194.249 2.833 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)C(C)(C)C 86203025 573310903 /nfs/dbraw/zinc/31/09/03/573310903.db2.gz HWNKZKMKNXYHNZ-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)[C@@H](C)CC 86203470 573310914 /nfs/dbraw/zinc/31/09/14/573310914.db2.gz AZMYRIAQKQQJRQ-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1cccs1 86203513 573310923 /nfs/dbraw/zinc/31/09/23/573310923.db2.gz VIZNLBILGXWZLN-SCZZXKLOSA-N 0 0 182.288 2.756 10 0 AFAERN CC(C)/C(=C\c1cccs1)CO 86209588 573310942 /nfs/dbraw/zinc/31/09/42/573310942.db2.gz ILPYYGXEFSAJBR-TWGQIWQCSA-N 0 0 182.288 2.780 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1cc(C)oc1C 86203338 573310983 /nfs/dbraw/zinc/31/09/83/573310983.db2.gz GYHAUIFIGNRWKC-PWSUYJOCSA-N 0 0 194.274 2.904 10 0 AFAERN CC[C@@H](C)/C=C(/CO)C(C)C 86209362 573311026 /nfs/dbraw/zinc/31/10/26/573311026.db2.gz NUIBAWKHOMYBCE-WPVMNKCKSA-N 0 0 156.269 2.607 10 0 AFAERN CC(=O)[C@@H](C)c1cccc(C)c1C 224010470 573311054 /nfs/dbraw/zinc/31/10/54/573311054.db2.gz WVMRQFYQZQVEHU-SNVBAGLBSA-N 0 0 176.259 2.996 10 0 AFAERN CC(C)c1cc(O)cc([C@H](C)O)c1 258001099 573311058 /nfs/dbraw/zinc/31/10/58/573311058.db2.gz LYUSQNHQTFXCFM-QMMMGPOBSA-N 0 0 180.247 2.569 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1ccccc1F 86203755 573311176 /nfs/dbraw/zinc/31/11/76/573311176.db2.gz LTJQSEDYDMHBJO-JOYOIKCWSA-N 0 0 194.249 2.833 10 0 AFAERN CCC[C@@H]1C[C@]1(O)C1CCCC1 86202791 573311680 /nfs/dbraw/zinc/31/16/80/573311680.db2.gz UMPFZRFRIOLMHP-MNOVXSKESA-N 0 0 168.280 2.728 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1cccs1 86203511 573311218 /nfs/dbraw/zinc/31/12/18/573311218.db2.gz VIZNLBILGXWZLN-WCBMZHEXSA-N 0 0 182.288 2.756 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1cccs1 86203515 573311244 /nfs/dbraw/zinc/31/12/44/573311244.db2.gz VIZNLBILGXWZLN-WPRPVWTQSA-N 0 0 182.288 2.756 10 0 AFAERN Oc1ccccc1[C@@H]1CCC1(F)F 259606960 573311704 /nfs/dbraw/zinc/31/17/04/573311704.db2.gz DNAAUQMHGRZJGK-QMMMGPOBSA-N 0 0 184.185 2.905 10 0 AFAERN CC(C)(O)c1c(F)ccc2ccoc12 258001377 573311322 /nfs/dbraw/zinc/31/13/22/573311322.db2.gz GNNWEODAVOPDDB-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN CSc1ccc([C@H](C)CO)c(C)c1 258001227 573311336 /nfs/dbraw/zinc/31/13/36/573311336.db2.gz GLAZKTYQQSMDQU-SECBINFHSA-N 0 0 196.315 2.813 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1ccccc1F 86203758 573311430 /nfs/dbraw/zinc/31/14/30/573311430.db2.gz LTJQSEDYDMHBJO-SKDRFNHKSA-N 0 0 194.249 2.833 10 0 AFAERN CC/C(=C\C1CCCC1)CO 86209144 573311446 /nfs/dbraw/zinc/31/14/46/573311446.db2.gz HOHDKIIYLBMQML-VQHVLOKHSA-N 0 0 154.253 2.505 10 0 AFAERN CCC[C@H]1C[C@]1(O)c1ccsc1 86202683 573311696 /nfs/dbraw/zinc/31/16/96/573311696.db2.gz TWVOXVQINXPTQD-WCBMZHEXSA-N 0 0 182.288 2.756 10 0 AFAERN CC/C(=C\c1cccs1)CO 86209289 573311544 /nfs/dbraw/zinc/31/15/44/573311544.db2.gz JBSMBSUICCTWES-SOFGYWHQSA-N 0 0 168.261 2.534 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1cccc(F)c1 86202804 573311657 /nfs/dbraw/zinc/31/16/57/573311657.db2.gz WAANZIRSWAJJHA-CMPLNLGQSA-N 0 0 194.249 2.833 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1ccc(F)cc1 86204060 573312584 /nfs/dbraw/zinc/31/25/84/573312584.db2.gz MAVRDTWWDNPKHL-PWSUYJOCSA-N 0 0 194.249 2.833 10 0 AFAERN CC(C)/C(=C\C1CCCC1)CO 86209481 573312594 /nfs/dbraw/zinc/31/25/94/573312594.db2.gz MVOAXBUIDXBSPQ-XFFZJAGNSA-N 0 0 168.280 2.751 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)c1ccccc1 86202717 573312575 /nfs/dbraw/zinc/31/25/75/573312575.db2.gz UVLIYLSZISQRHS-VXGBXAGGSA-N 0 0 176.259 2.694 10 0 AFAERN CCC[C@H]1C[C@@]1(O)c1ccc(F)cc1 86204066 573312492 /nfs/dbraw/zinc/31/24/92/573312492.db2.gz MAVRDTWWDNPKHL-CMPLNLGQSA-N 0 0 194.249 2.833 10 0 AFAERN CCCCc1c(N)c(C)nn1C(C)C 393661541 573312494 /nfs/dbraw/zinc/31/24/94/573312494.db2.gz XQBBKAZXFHLNCZ-UHFFFAOYSA-N 0 0 195.310 2.697 10 0 AFAERN C=Cc1ncc(C)cc1Cl 209759794 573312604 /nfs/dbraw/zinc/31/26/04/573312604.db2.gz BOJIZLGNIFENIA-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN CCC[C@@H]1C[C@@]1(O)C1CCCC1 86202794 573312616 /nfs/dbraw/zinc/31/26/16/573312616.db2.gz UMPFZRFRIOLMHP-GHMZBOCLSA-N 0 0 168.280 2.728 10 0 AFAERN c1ccc2c(c1)CC[C@H]2Nc1c[nH]cn1 308858222 573312621 /nfs/dbraw/zinc/31/26/21/573312621.db2.gz QQAYOIKYSXWYMM-LLVKDONJSA-N 0 0 199.257 2.509 10 0 AFAERN CC(C)c1cc2ccccc2c(=O)[nH]1 116929524 573312638 /nfs/dbraw/zinc/31/26/38/573312638.db2.gz SOBBAXKRPMWJPO-UHFFFAOYSA-N 0 0 187.242 2.652 10 0 AFAERN CCC[C@@H]1C[C@]1(O)C(C)(C)C 86203022 573313986 /nfs/dbraw/zinc/31/39/86/573313986.db2.gz HWNKZKMKNXYHNZ-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CCC[C@@H]1C[C@]1(O)c1occc1C 86204115 573314003 /nfs/dbraw/zinc/31/40/03/573314003.db2.gz QWVFUAXMCKAHSO-MWLCHTKSSA-N 0 0 180.247 2.596 10 0 AFAERN CSc1ccc([C@@H](C)CO)c(C)c1 258001231 573315177 /nfs/dbraw/zinc/31/51/77/573315177.db2.gz GLAZKTYQQSMDQU-VIFPVBQESA-N 0 0 196.315 2.813 10 0 AFAERN COc1cc(F)cc(CSC)c1 238351613 573315179 /nfs/dbraw/zinc/31/51/79/573315179.db2.gz DKYKAOCMVJIPSO-UHFFFAOYSA-N 0 0 186.251 2.697 10 0 AFAERN C/C=C1\CCN(C(=O)OC(C)(C)C)C1 221375600 573315191 /nfs/dbraw/zinc/31/51/91/573315191.db2.gz YYSGZJHWFXQYAY-WEVVVXLNSA-N 0 0 197.278 2.574 10 0 AFAERN COc1cc(C)cc(OC2CCC2)c1 238350868 573317866 /nfs/dbraw/zinc/31/78/66/573317866.db2.gz FBLNOZABYCZYPR-UHFFFAOYSA-N 0 0 192.258 2.935 10 0 AFAERN C/C(=C/[C@H]1CCC[C@H](C)C1)CO 86210074 573315246 /nfs/dbraw/zinc/31/52/46/573315246.db2.gz XKULIEFBVKKXPB-YHQIDKOESA-N 0 0 168.280 2.751 10 0 AFAERN C/C(=C\c1ccccc1Cl)CO 86210270 573315303 /nfs/dbraw/zinc/31/53/03/573315303.db2.gz KGAZOZJJCIILNS-SOFGYWHQSA-N 0 0 182.650 2.736 10 0 AFAERN C[C@H](O)c1csc2c(O)cccc12 258256669 573316937 /nfs/dbraw/zinc/31/69/37/573316937.db2.gz RQCJLDAPRBJKFA-LURJTMIESA-N 0 0 194.255 2.660 10 0 AFAERN O=Cc1sccc1-c1ccc[nH]1 74307164 573315640 /nfs/dbraw/zinc/31/56/40/573315640.db2.gz FBUPVTORURETQU-UHFFFAOYSA-N 0 0 177.228 2.556 10 0 AFAERN CCCC1(c2onc(N)c2CC)CC1 308550900 573315661 /nfs/dbraw/zinc/31/56/61/573315661.db2.gz RUMJXWIDVZYWOV-UHFFFAOYSA-N 0 0 194.278 2.651 10 0 AFAERN CC(C)CCCOc1cc[nH]c(=O)c1 308551039 573315669 /nfs/dbraw/zinc/31/56/69/573315669.db2.gz XLEWHFZJNYCKSG-UHFFFAOYSA-N 0 0 195.262 2.602 10 0 AFAERN CCCC[C@H](C)[C@@H](C)NC(=O)OC 238797102 573315707 /nfs/dbraw/zinc/31/57/07/573315707.db2.gz YMYWNFXDNKRYLI-DTWKUNHWSA-N 0 0 187.283 2.557 10 0 AFAERN Cc1oc2cccc(C=O)c2c1C 74309313 573315810 /nfs/dbraw/zinc/31/58/10/573315810.db2.gz DLIGFSPMLJNSMZ-UHFFFAOYSA-N 0 0 174.199 2.862 10 0 AFAERN Cc1cn(CCOCC(C)C)cc1C 308551573 573315817 /nfs/dbraw/zinc/31/58/17/573315817.db2.gz QIBYNQPSAOKBSI-UHFFFAOYSA-N 0 0 195.306 2.778 10 0 AFAERN O=Cc1cncc(C2=CCCCC2)c1 117045767 573317868 /nfs/dbraw/zinc/31/78/68/573317868.db2.gz JSUFKDQDSHYNTO-UHFFFAOYSA-N 0 0 187.242 2.852 10 0 AFAERN CC(C)[C@H](C)NC(=O)OC1CCCC1 308551226 573315839 /nfs/dbraw/zinc/31/58/39/573315839.db2.gz QCVQWLYTZAMOIF-VIFPVBQESA-N 0 0 199.294 2.700 10 0 AFAERN COC(=O)c1cc(C)cc(SC)c1 238351085 573315888 /nfs/dbraw/zinc/31/58/88/573315888.db2.gz OEXOCGZTNKVEDN-UHFFFAOYSA-N 0 0 196.271 2.504 10 0 AFAERN CCCOCC(=O)CC1(C)CCCC1 308551385 573318822 /nfs/dbraw/zinc/31/88/22/573318822.db2.gz SBPGHJWSVOLSGU-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CC(=O)CCOCCCC(C)(C)C 308344141 573316007 /nfs/dbraw/zinc/31/60/07/573316007.db2.gz TVNKNJYESCVLLK-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN C/C=C\[C@H](O)[Si](C)(C)C(C)(C)C 215144932 573316024 /nfs/dbraw/zinc/31/60/24/573316024.db2.gz MJZVISIAHIBXEJ-UFGYOYAJSA-N 0 0 186.371 2.971 10 0 AFAERN CCOCC(=O)C[C@@H]1CCC[C@H](C)C1 308552064 573316040 /nfs/dbraw/zinc/31/60/40/573316040.db2.gz XWJWSLLBRZGCHT-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN C/C(=C\C1CCCCCC1)CO 86210067 573316095 /nfs/dbraw/zinc/31/60/95/573316095.db2.gz RHWYLLCYJNIGLW-CSKARUKUSA-N 0 0 168.280 2.895 10 0 AFAERN CCc1cnc(N)c2c(F)cccc12 258303276 573316174 /nfs/dbraw/zinc/31/61/74/573316174.db2.gz SPFZBGBEGCPMES-UHFFFAOYSA-N 0 0 190.221 2.519 10 0 AFAERN CC(C)c1cccnc1CC(C)(C)O 259415533 573316210 /nfs/dbraw/zinc/31/62/10/573316210.db2.gz SLPQLBZVUGRAHK-UHFFFAOYSA-N 0 0 193.290 2.518 10 0 AFAERN CCc1cc(O)c(CC)c(CC)c1O 117023114 573316269 /nfs/dbraw/zinc/31/62/69/573316269.db2.gz SLYWWALAGATHAB-UHFFFAOYSA-N 0 0 194.274 2.785 10 0 AFAERN CCc1ccc(/C=C(/C)CO)cc1 86210181 573316270 /nfs/dbraw/zinc/31/62/70/573316270.db2.gz RZHWTOYZOOSANU-NTMALXAHSA-N 0 0 176.259 2.645 10 0 AFAERN C/C(=C/c1ccc([C@@H]2C[C@H]2C)o1)CO 86210008 573316315 /nfs/dbraw/zinc/31/63/15/573316315.db2.gz ZWCZFXQBCXTSMP-BUOBBMNKSA-N 0 0 192.258 2.799 10 0 AFAERN CCCc1cc2c(N)cccc2[nH]1 74309093 573316317 /nfs/dbraw/zinc/31/63/17/573316317.db2.gz HHCMYSAXFMFAJC-UHFFFAOYSA-N 0 0 174.247 2.703 10 0 AFAERN CCCCS[C@@H](C)C(=O)CC 82948547 573316974 /nfs/dbraw/zinc/31/69/74/573316974.db2.gz PGPLEAKEDCOQBZ-QMMMGPOBSA-N 0 0 174.309 2.887 10 0 AFAERN CC(=O)[C@H](C)c1cccc(C)c1C 224010415 573316410 /nfs/dbraw/zinc/31/64/10/573316410.db2.gz WVMRQFYQZQVEHU-JTQLQIEISA-N 0 0 176.259 2.996 10 0 AFAERN CCC(=O)[C@@H](C)n1ccnc1C(C)C 82947873 573316437 /nfs/dbraw/zinc/31/64/37/573316437.db2.gz KTDJMSYNYGFBSX-SECBINFHSA-N 0 0 194.278 2.547 10 0 AFAERN CC(C)(O)c1nc(C2CCC2)cs1 259083717 573316507 /nfs/dbraw/zinc/31/65/07/573316507.db2.gz CVDSSYBPKBDATN-UHFFFAOYSA-N 0 0 197.303 2.638 10 0 AFAERN Cc1ccc(C)n1CCCOC1CC1 717351724 573316556 /nfs/dbraw/zinc/31/65/56/573316556.db2.gz ABRZMNPGEFHZIB-UHFFFAOYSA-N 0 0 193.290 2.674 10 0 AFAERN C[C@@H](O)c1csc2c(O)cccc12 258256672 573316557 /nfs/dbraw/zinc/31/65/57/573316557.db2.gz RQCJLDAPRBJKFA-ZCFIWIBFSA-N 0 0 194.255 2.660 10 0 AFAERN CCC(CC)C[C@](O)(CC)COC 129355764 573316626 /nfs/dbraw/zinc/31/66/26/573316626.db2.gz WYQZFUYPJUQHDZ-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN Oc1ccc([C@@H]2CC[C@H]2CF)cc1 259606685 573320679 /nfs/dbraw/zinc/32/06/79/573320679.db2.gz DJCJQINUHYAIAE-ONGXEEELSA-N 0 0 180.222 2.855 10 0 AFAERN CO[C@H](C)C(=O)CC1CCC(C)CC1 308552137 573316791 /nfs/dbraw/zinc/31/67/91/573316791.db2.gz XYNJVIHTXYLYEV-HSOILSAZSA-N 0 0 198.306 2.807 10 0 AFAERN COc1cc(C)c2sncc2c1 238350741 573316830 /nfs/dbraw/zinc/31/68/30/573316830.db2.gz LMZZUIWGXHXPQZ-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CC(C)c1cc2nccc(Cl)n2n1 106872708 573316896 /nfs/dbraw/zinc/31/68/96/573316896.db2.gz KLQGNCNWSWTZRG-UHFFFAOYSA-N 0 0 195.653 2.506 10 0 AFAERN CSc1cc(C)ccc1C(C)(C)O 258003779 573318370 /nfs/dbraw/zinc/31/83/70/573318370.db2.gz GRRONCGAOKUIES-UHFFFAOYSA-N 0 0 196.315 2.944 10 0 AFAERN C/C(=C/c1ccc([C@@H]2C[C@@H]2C)o1)CO 86210011 573317096 /nfs/dbraw/zinc/31/70/96/573317096.db2.gz ZWCZFXQBCXTSMP-HCLGGNTCSA-N 0 0 192.258 2.799 10 0 AFAERN COCCNc1cc(C)cc(C)c1C 238350846 573317145 /nfs/dbraw/zinc/31/71/45/573317145.db2.gz ZSUXTNQHPPUVBY-UHFFFAOYSA-N 0 0 193.290 2.670 10 0 AFAERN Cc1coc([C@](O)(C(C)C)C2CC2)c1 715771533 573317163 /nfs/dbraw/zinc/31/71/63/573317163.db2.gz GMBHVPZDSUZRSN-LBPRGKRZSA-N 0 0 194.274 2.842 10 0 AFAERN COc1cc(F)cc(OC(C)C)c1 238352278 573317181 /nfs/dbraw/zinc/31/71/81/573317181.db2.gz KVKSCABRONUIPB-UHFFFAOYSA-N 0 0 184.210 2.622 10 0 AFAERN Cc1nc(N)oc1CC1CCCCC1 258491003 573317236 /nfs/dbraw/zinc/31/72/36/573317236.db2.gz CIRDXGLBVOYKBE-UHFFFAOYSA-N 0 0 194.278 2.688 10 0 AFAERN C/C(=C/[C@H]1CCC[C@@H](C)C1)CO 86210073 573317339 /nfs/dbraw/zinc/31/73/39/573317339.db2.gz XKULIEFBVKKXPB-UEQOSDTHSA-N 0 0 168.280 2.751 10 0 AFAERN CCc1ccccc1/C=C(/C)CO 86210346 573317346 /nfs/dbraw/zinc/31/73/46/573317346.db2.gz CWRXNXANIXDBSF-NTMALXAHSA-N 0 0 176.259 2.645 10 0 AFAERN CCC[C@@H](C)[C@@H](C)C(C)=O 117095858 573317367 /nfs/dbraw/zinc/31/73/67/573317367.db2.gz HLPAYTLTGGTXHJ-HTQZYQBOSA-N 0 0 142.242 2.648 10 0 AFAERN CC(=O)C/C(C)=C/C(C)C 117107883 573317381 /nfs/dbraw/zinc/31/73/81/573317381.db2.gz KJQGXOUNONVSIL-VMPITWQZSA-N 0 0 140.226 2.568 10 0 AFAERN COc1ccc(F)c2cc(Cl)[nH]c12 238350563 573317429 /nfs/dbraw/zinc/31/74/29/573317429.db2.gz OXBRWNXIBPWEBF-UHFFFAOYSA-N 0 0 199.612 2.969 10 0 AFAERN CCc1ccc(/C=C(/C)CO)s1 86210344 573317516 /nfs/dbraw/zinc/31/75/16/573317516.db2.gz DJCSQJIJCXVNMM-VURMDHGXSA-N 0 0 182.288 2.706 10 0 AFAERN CC(C)C1([C@H](N)C(F)(F)F)CCC1 686127885 573317557 /nfs/dbraw/zinc/31/75/57/573317557.db2.gz ZQSFSPXJFSPJEU-ZETCQYMHSA-N 0 0 195.228 2.702 10 0 AFAERN CC(C)(O)[C@H]1C[C@H]1c1ccccc1 117102564 573317663 /nfs/dbraw/zinc/31/76/63/573317663.db2.gz NBUOGRRGXCXCOG-QWRGUYRKSA-N 0 0 176.259 2.561 10 0 AFAERN C/C(=C\C=C\c1ccccc1)CO 86210222 573317792 /nfs/dbraw/zinc/31/77/92/573317792.db2.gz FEGUPOQVEDAZMG-MPEOSAONSA-N 0 0 174.243 2.638 10 0 AFAERN Cc1coc([C@@](O)(C(C)C)C2CC2)c1 715771529 573317819 /nfs/dbraw/zinc/31/78/19/573317819.db2.gz GMBHVPZDSUZRSN-GFCCVEGCSA-N 0 0 194.274 2.842 10 0 AFAERN CC(C)Cc1csc(C(C)(C)O)n1 259083554 573317836 /nfs/dbraw/zinc/31/78/36/573317836.db2.gz CTBXWJKYCKFMFM-UHFFFAOYSA-N 0 0 199.319 2.569 10 0 AFAERN C/C(=C\C1CCCCC1)CO 86210138 573317856 /nfs/dbraw/zinc/31/78/56/573317856.db2.gz NMWHSTKLKAKOIS-VQHVLOKHSA-N 0 0 154.253 2.505 10 0 AFAERN Cc1ccc(C)c(C2OCCCO2)c1 258627757 573318096 /nfs/dbraw/zinc/31/80/96/573318096.db2.gz BYPNMZJJTIKAQO-UHFFFAOYSA-N 0 0 192.258 2.739 10 0 AFAERN CCc1nc(Cl)c2cc(C)ccn12 258302030 573318106 /nfs/dbraw/zinc/31/81/06/573318106.db2.gz OHURUHQLPCCMHH-UHFFFAOYSA-N 0 0 194.665 2.859 10 0 AFAERN C/C(=C/c1ccc([C@H]2C[C@H]2C)o1)CO 86210004 573318207 /nfs/dbraw/zinc/31/82/07/573318207.db2.gz ZWCZFXQBCXTSMP-QYTDEHSQSA-N 0 0 192.258 2.799 10 0 AFAERN Cc1csc2cccc(CCO)c12 258003680 573318295 /nfs/dbraw/zinc/31/82/95/573318295.db2.gz IPRNAPPGKFWHSZ-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN CCc1cc(Cl)c(F)c(C[NH3+])c1 258003773 573318299 /nfs/dbraw/zinc/31/82/99/573318299.db2.gz GRPRPECAPFKCAJ-UHFFFAOYSA-N 0 0 187.645 2.500 10 0 AFAERN Cc1cc(O)cc(OCCCCF)c1 308551313 573318317 /nfs/dbraw/zinc/31/83/17/573318317.db2.gz RXSQBJGIVJSTKA-UHFFFAOYSA-N 0 0 198.237 2.829 10 0 AFAERN COC(=O)c1cc(C)cc2occc12 238351671 573318357 /nfs/dbraw/zinc/31/83/57/573318357.db2.gz KCYZDUDOYCEFTB-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN C/C(=C\c1cccc(Cl)c1)CO 86210108 573318365 /nfs/dbraw/zinc/31/83/65/573318365.db2.gz AABACSMEJCPPNG-VMPITWQZSA-N 0 0 182.650 2.736 10 0 AFAERN C[C@H](O)CCCCC(=O)C(C)(C)C 308347197 573318380 /nfs/dbraw/zinc/31/83/80/573318380.db2.gz WEOVIONCPIJZGO-VIFPVBQESA-N 0 0 186.295 2.543 10 0 AFAERN CCCC(=O)[C@@H]1C[C@@H](OC)C12CCC2 308347087 573318435 /nfs/dbraw/zinc/31/84/35/573318435.db2.gz XJWSICCYCBVIQV-GXSJLCMTSA-N 0 0 196.290 2.561 10 0 AFAERN C/C=C\COc1cc(N)c(F)cc1F 308347718 573318470 /nfs/dbraw/zinc/31/84/70/573318470.db2.gz ZKFAJXCGLZAOQB-IHWYPQMZSA-N 0 0 199.200 2.502 10 0 AFAERN COc1cc(C)cc(C2CC2)c1O 238350816 573318484 /nfs/dbraw/zinc/31/84/84/573318484.db2.gz DNLGTPBWWVZDRR-UHFFFAOYSA-N 0 0 178.231 2.587 10 0 AFAERN CC1(CNOC2CCCC2)CCC1 308346769 573318506 /nfs/dbraw/zinc/31/85/06/573318506.db2.gz VXCWIDYNMUZLAU-UHFFFAOYSA-N 0 0 183.295 2.640 10 0 AFAERN CCC(CC)C[C@@](O)(CC)COC 129355552 573318555 /nfs/dbraw/zinc/31/85/55/573318555.db2.gz WYQZFUYPJUQHDZ-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN Fc1ccc2c(c1)OCCCS2 117071777 573318608 /nfs/dbraw/zinc/31/86/08/573318608.db2.gz GSAYYRGLSUPYOC-UHFFFAOYSA-N 0 0 184.235 2.700 10 0 AFAERN c1n[nH]cc1OCCC1CCCCC1 308552300 573318654 /nfs/dbraw/zinc/31/86/54/573318654.db2.gz QUJXCKVSKQAKAB-UHFFFAOYSA-N 0 0 194.278 2.759 10 0 AFAERN CCC(C)(C)CCC(C)=O 117107822 573318858 /nfs/dbraw/zinc/31/88/58/573318858.db2.gz OPKLWRDIYNLJGA-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN CCCC(=O)[C@H]1C[C@@H](OC)C12CCC2 308347089 573318877 /nfs/dbraw/zinc/31/88/77/573318877.db2.gz XJWSICCYCBVIQV-MWLCHTKSSA-N 0 0 196.290 2.561 10 0 AFAERN Nc1ccc(C2CCCCC2)c(N)c1 117058435 573318940 /nfs/dbraw/zinc/31/89/40/573318940.db2.gz UJJYQPHAQSUZFP-UHFFFAOYSA-N 0 0 190.290 2.899 10 0 AFAERN C[C@H](N[C@H](C)C(F)(F)F)C1(C)CC1 308347484 573318945 /nfs/dbraw/zinc/31/89/45/573318945.db2.gz WJDLRHBXQFTZCA-NKWVEPMBSA-N 0 0 195.228 2.715 10 0 AFAERN CO[C@@H](C)C(=O)CC1CCC(C)CC1 308552139 573319007 /nfs/dbraw/zinc/31/90/07/573319007.db2.gz XYNJVIHTXYLYEV-YVNMAJEFSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cncc([C@@H](O)[C@@H](C)C(C)C)c1 124077038 573319016 /nfs/dbraw/zinc/31/90/16/573319016.db2.gz MHWUACNSLBZJHB-JQWIXIFHSA-N 0 0 193.290 2.716 10 0 AFAERN C/C(=C/[C@@H]1CCC[C@@H](C)C1)CO 86210076 573319019 /nfs/dbraw/zinc/31/90/19/573319019.db2.gz XKULIEFBVKKXPB-XMZCBSEDSA-N 0 0 168.280 2.751 10 0 AFAERN COc1cc(F)cc(SC)c1 238352370 573319120 /nfs/dbraw/zinc/31/91/20/573319120.db2.gz QYYYEJUGXMFFGB-UHFFFAOYSA-N 0 0 172.224 2.556 10 0 AFAERN CC/C(C)=C/[C@H](C)C(C)=O 117094681 573319130 /nfs/dbraw/zinc/31/91/30/573319130.db2.gz RHXMYRMGTFBMFI-CZEYKFRCSA-N 0 0 140.226 2.568 10 0 AFAERN Cc1ccc(C)n1NCCCCCF 308551243 573319186 /nfs/dbraw/zinc/31/91/86/573319186.db2.gz QEDKEUUMAPTRDH-UHFFFAOYSA-N 0 0 198.285 2.788 10 0 AFAERN C[C@@H](N[C@H](C)C1(C)CC1)C(F)(F)F 308347485 573319324 /nfs/dbraw/zinc/31/93/24/573319324.db2.gz WJDLRHBXQFTZCA-RNFRBKRXSA-N 0 0 195.228 2.715 10 0 AFAERN C[C@@H](O)/C=C\c1cccc(C2CC2)c1 308346925 573319366 /nfs/dbraw/zinc/31/93/66/573319366.db2.gz WTFCKNLVDPYJNT-WWQCOOJYSA-N 0 0 188.270 2.958 10 0 AFAERN CCOCC(=O)C[C@@H]1CCC[C@@H](C)C1 308552058 573319418 /nfs/dbraw/zinc/31/94/18/573319418.db2.gz XWJWSLLBRZGCHT-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN CC(=O)C/C=C/C(C)(C)C 117101923 573319472 /nfs/dbraw/zinc/31/94/72/573319472.db2.gz JSVBEFPRZQFAJS-FNORWQNLSA-N 0 0 140.226 2.568 10 0 AFAERN C[C@@H](CO)c1csc(C2CCC2)n1 258256241 573319524 /nfs/dbraw/zinc/31/95/24/573319524.db2.gz XAGXLAXDBISOOP-ZETCQYMHSA-N 0 0 197.303 2.506 10 0 AFAERN C/C(=C/[C@@H]1CCC[C@H](C)C1)CO 86210078 573319529 /nfs/dbraw/zinc/31/95/29/573319529.db2.gz XKULIEFBVKKXPB-HLLGUJQBSA-N 0 0 168.280 2.751 10 0 AFAERN CCC(CC)CC1(O)CCC(=O)CC1 129378449 573319547 /nfs/dbraw/zinc/31/95/47/573319547.db2.gz UPCWUMLPMIIXAC-UHFFFAOYSA-N 0 0 198.306 2.687 10 0 AFAERN CSc1ccc(/C=C(/C)CO)cc1 86210175 573319580 /nfs/dbraw/zinc/31/95/80/573319580.db2.gz LVUQIIKZSVRQRX-CLFYSBASSA-N 0 0 194.299 2.804 10 0 AFAERN CCCC(=O)[C@H]1C[C@H](OC)C12CCC2 308347088 573319631 /nfs/dbraw/zinc/31/96/31/573319631.db2.gz XJWSICCYCBVIQV-KOLCDFICSA-N 0 0 196.290 2.561 10 0 AFAERN Cc1cnc(Cl)c2ccc(N)cc12 258303222 573319645 /nfs/dbraw/zinc/31/96/45/573319645.db2.gz SNYOEBNDOCHYMI-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CC(C)C1([C@@H](N)C(F)(F)F)CCC1 686127881 573319657 /nfs/dbraw/zinc/31/96/57/573319657.db2.gz ZQSFSPXJFSPJEU-SSDOTTSWSA-N 0 0 195.228 2.702 10 0 AFAERN C/C(=C/c1ccc([C@H]2C[C@@H]2C)o1)CO 86210006 573320022 /nfs/dbraw/zinc/32/00/22/573320022.db2.gz ZWCZFXQBCXTSMP-RZJTUEKRSA-N 0 0 192.258 2.799 10 0 AFAERN CCCc1cc(F)nc(C2(C)CC2)n1 689944521 573319830 /nfs/dbraw/zinc/31/98/30/573319830.db2.gz KJCFBOVBWXJQJT-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN CCSCc1cccc2c1CCN2 258301465 573319831 /nfs/dbraw/zinc/31/98/31/573319831.db2.gz WLAYJAWABLAYCL-UHFFFAOYSA-N 0 0 193.315 2.908 10 0 AFAERN CC(C)=CCNc1cccc(N)c1C 117059062 573319876 /nfs/dbraw/zinc/31/98/76/573319876.db2.gz BAFTXHNYJQNCHF-UHFFFAOYSA-N 0 0 190.290 2.955 10 0 AFAERN OC/C=C/c1csc2ccccc12 86209696 573319922 /nfs/dbraw/zinc/31/99/22/573319922.db2.gz VSRQZBZXPQBBDO-ONEGZZNKSA-N 0 0 190.267 2.907 10 0 AFAERN C[C@@H](O)C1=CC(C)(C)CCC1 117104837 573319923 /nfs/dbraw/zinc/31/99/23/573319923.db2.gz JRITZCKCABCCLG-MRVPVSSYSA-N 0 0 154.253 2.504 10 0 AFAERN CCC[C@H](C)[C@H](C)C(C)=O 117095866 573320004 /nfs/dbraw/zinc/32/00/04/573320004.db2.gz HLPAYTLTGGTXHJ-YUMQZZPRSA-N 0 0 142.242 2.648 10 0 AFAERN C[C@H](CO)c1csc(C2CCC2)n1 258256235 573320081 /nfs/dbraw/zinc/32/00/81/573320081.db2.gz XAGXLAXDBISOOP-SSDOTTSWSA-N 0 0 197.303 2.506 10 0 AFAERN CC(C)[C@@H](C)NC(=O)OC1CCCC1 308551225 573320116 /nfs/dbraw/zinc/32/01/16/573320116.db2.gz QCVQWLYTZAMOIF-SECBINFHSA-N 0 0 199.294 2.700 10 0 AFAERN CNc1ccccc1Cc1ccc[nH]1 238341964 573321170 /nfs/dbraw/zinc/32/11/70/573321170.db2.gz YHBRACIWDZNNGG-UHFFFAOYSA-N 0 0 186.258 2.647 10 0 AFAERN c1c[nH]c(-c2cc3cccnc3[nH]2)c1 117089018 573320182 /nfs/dbraw/zinc/32/01/82/573320182.db2.gz XRBNURMPSOVRNI-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN CCCC(=O)[C@@H]1C[C@H](OC)C12CCC2 308347090 573320203 /nfs/dbraw/zinc/32/02/03/573320203.db2.gz XJWSICCYCBVIQV-ONGXEEELSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H](N[C@@H](C)C1(C)CC1)C(F)(F)F 308347483 573320250 /nfs/dbraw/zinc/32/02/50/573320250.db2.gz WJDLRHBXQFTZCA-BQBZGAKWSA-N 0 0 195.228 2.715 10 0 AFAERN CCOCC(=O)C[C@H]1CCC[C@@H](C)C1 308552060 573320276 /nfs/dbraw/zinc/32/02/76/573320276.db2.gz XWJWSLLBRZGCHT-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN C[C@H](O)C1=CC(C)(C)CCC1 117104841 573320285 /nfs/dbraw/zinc/32/02/85/573320285.db2.gz JRITZCKCABCCLG-QMMMGPOBSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H](O)CCCCC(=O)C(C)(C)C 308347196 573320307 /nfs/dbraw/zinc/32/03/07/573320307.db2.gz WEOVIONCPIJZGO-SECBINFHSA-N 0 0 186.295 2.543 10 0 AFAERN COc1ccc(NC2CC2)c(Cl)c1 106874914 573320371 /nfs/dbraw/zinc/32/03/71/573320371.db2.gz ZIZNVMOQJAHINW-UHFFFAOYSA-N 0 0 197.665 2.923 10 0 AFAERN CC(=O)CCc1ccc(Cl)c(O)c1 106876387 573320402 /nfs/dbraw/zinc/32/04/02/573320402.db2.gz ASRVIQDJRIDYNL-UHFFFAOYSA-N 0 0 198.649 2.567 10 0 AFAERN CCOCC(=O)C[C@H]1CCC[C@H](C)C1 308552062 573320406 /nfs/dbraw/zinc/32/04/06/573320406.db2.gz XWJWSLLBRZGCHT-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN Oc1ccc([C@H]2CC[C@H]2CF)cc1 259606673 573320414 /nfs/dbraw/zinc/32/04/14/573320414.db2.gz DJCJQINUHYAIAE-GXSJLCMTSA-N 0 0 180.222 2.855 10 0 AFAERN C[C@H](O)/C=C\c1cccc(C2CC2)c1 308346924 573320464 /nfs/dbraw/zinc/32/04/64/573320464.db2.gz WTFCKNLVDPYJNT-OMMCCPJFSA-N 0 0 188.270 2.958 10 0 AFAERN CCC[C@@H](C)[C@H](C)C(C)=O 117095863 573320529 /nfs/dbraw/zinc/32/05/29/573320529.db2.gz HLPAYTLTGGTXHJ-SFYZADRCSA-N 0 0 142.242 2.648 10 0 AFAERN C[C@H](N[C@H](C)C1(C)CC1)C(F)(F)F 308347486 573320566 /nfs/dbraw/zinc/32/05/66/573320566.db2.gz WJDLRHBXQFTZCA-RQJHMYQMSA-N 0 0 195.228 2.715 10 0 AFAERN CONCc1cc(C)cc(Cl)c1C 258257803 573320603 /nfs/dbraw/zinc/32/06/03/573320603.db2.gz YHOKAUAFXIURJI-UHFFFAOYSA-N 0 0 199.681 2.608 10 0 AFAERN CNc1nc(-c2cccc(C)c2)co1 258628101 573320631 /nfs/dbraw/zinc/32/06/31/573320631.db2.gz QWMAVRNOUIDJTN-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CC(=O)Cc1coc2cc(C)ccc12 258256593 573320659 /nfs/dbraw/zinc/32/06/59/573320659.db2.gz ROBXYHOMJUZBGT-UHFFFAOYSA-N 0 0 188.226 2.873 10 0 AFAERN Cc1ccnc2[nH]c(C(C)(C)C)nc12 74327169 573320890 /nfs/dbraw/zinc/32/08/90/573320890.db2.gz MOTIPDOTKQCBNL-UHFFFAOYSA-N 0 0 189.262 2.564 10 0 AFAERN CC(C)(O)[C@@H]1C[C@@H]1c1ccccc1 117102559 573320912 /nfs/dbraw/zinc/32/09/12/573320912.db2.gz NBUOGRRGXCXCOG-GHMZBOCLSA-N 0 0 176.259 2.561 10 0 AFAERN CCCCc1nc2cccnc2o1 74328070 573320916 /nfs/dbraw/zinc/32/09/16/573320916.db2.gz GBDGHDHGIYDHEU-UHFFFAOYSA-N 0 0 176.219 2.565 10 0 AFAERN CC(=O)CCc1cc(Cl)ccc1O 106876383 573320944 /nfs/dbraw/zinc/32/09/44/573320944.db2.gz UMOVQTSBHMBOEZ-UHFFFAOYSA-N 0 0 198.649 2.567 10 0 AFAERN CONCc1ccc(F)c(C(C)C)c1 258003848 573321172 /nfs/dbraw/zinc/32/11/72/573321172.db2.gz GTPXYUHIJYFEHT-UHFFFAOYSA-N 0 0 197.253 2.600 10 0 AFAERN Cc1ccc2cc([C@H](C)CO)oc2c1 258004100 573321180 /nfs/dbraw/zinc/32/11/80/573321180.db2.gz XHKIFWXBQJQACX-SECBINFHSA-N 0 0 190.242 2.837 10 0 AFAERN Cc1coc2cc(C3(O)CC3)ccc12 258003805 573321308 /nfs/dbraw/zinc/32/13/08/573321308.db2.gz GSNCLJGRXWDDDQ-UHFFFAOYSA-N 0 0 188.226 2.723 10 0 AFAERN CC(C)(O)[C@H]1C[C@@H]1c1ccccc1 117102561 573321358 /nfs/dbraw/zinc/32/13/58/573321358.db2.gz NBUOGRRGXCXCOG-MNOVXSKESA-N 0 0 176.259 2.561 10 0 AFAERN CC[C@H](CC1CCC(C)(C)CC1)NN 308548813 573321369 /nfs/dbraw/zinc/32/13/69/573321369.db2.gz WVQUPSVTDYGSRG-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN COc1ccc(C(C)C)c(C)c1C=O 238352712 573321449 /nfs/dbraw/zinc/32/14/49/573321449.db2.gz ODYGPGPYGJVFHE-UHFFFAOYSA-N 0 0 192.258 2.940 10 0 AFAERN Oc1ccc(Oc2cnsc2)cc1 258627989 573321467 /nfs/dbraw/zinc/32/14/67/573321467.db2.gz RNGOHEGBJMUBPR-UHFFFAOYSA-N 0 0 193.227 2.641 10 0 AFAERN Oc1ccc([C@H]2CC[C@@H]2CF)cc1 259606681 573321525 /nfs/dbraw/zinc/32/15/25/573321525.db2.gz DJCJQINUHYAIAE-MWLCHTKSSA-N 0 0 180.222 2.855 10 0 AFAERN CCCC1(c2nnc(C3CC3)[nH]2)CC1 308552630 573321817 /nfs/dbraw/zinc/32/18/17/573321817.db2.gz SPKQLMKPCZDWNT-UHFFFAOYSA-N 0 0 191.278 2.514 10 0 AFAERN CC(=O)CCc1ccc(Cl)cc1O 106876380 573321858 /nfs/dbraw/zinc/32/18/58/573321858.db2.gz RSXLRWUPGBRIQT-UHFFFAOYSA-N 0 0 198.649 2.567 10 0 AFAERN CC(=O)CCc1cccc(Cl)c1O 106876378 573322459 /nfs/dbraw/zinc/32/24/59/573322459.db2.gz HENMVGVKVVXYSP-UHFFFAOYSA-N 0 0 198.649 2.567 10 0 AFAERN CN1CCc2c(C3CC3)cccc21 238342472 573322033 /nfs/dbraw/zinc/32/20/33/573322033.db2.gz JAQZTMSUOWWCNV-UHFFFAOYSA-N 0 0 173.259 2.556 10 0 AFAERN CNc1ccccc1Cc1ccco1 238341987 573322168 /nfs/dbraw/zinc/32/21/68/573322168.db2.gz YNTRITAQFDKNOZ-UHFFFAOYSA-N 0 0 187.242 2.912 10 0 AFAERN Cc1cn(CCC(C)(C)O)c(C)c1C 86237458 573322211 /nfs/dbraw/zinc/32/22/11/573322211.db2.gz IETOERQBEZPOPI-UHFFFAOYSA-N 0 0 195.306 2.574 10 0 AFAERN CC(=O)CCc1cc(O)ccc1Cl 106876394 573322260 /nfs/dbraw/zinc/32/22/60/573322260.db2.gz INDOUTZFYDFAMV-UHFFFAOYSA-N 0 0 198.649 2.567 10 0 AFAERN CC/C(C)=C/[C@@H](C)C(C)=O 117094678 573322351 /nfs/dbraw/zinc/32/23/51/573322351.db2.gz RHXMYRMGTFBMFI-HYDMIIDASA-N 0 0 140.226 2.568 10 0 AFAERN Cc1c(C)c2c(c(C)c1O)CCCN2 197304258 573327233 /nfs/dbraw/zinc/32/72/33/573327233.db2.gz DZSLAOSJVBCKPL-UHFFFAOYSA-N 0 0 191.274 2.676 10 0 AFAERN C/C=C\CCNC(=O)C1(CCC)CC1 308549053 573327650 /nfs/dbraw/zinc/32/76/50/573327650.db2.gz QTDXLNUZQPSJMG-HYXAFXHYSA-N 0 0 195.306 2.649 10 0 AFAERN Cc1cccc2c1[C@@H]1C[C@@H]1CN2 258629552 573327773 /nfs/dbraw/zinc/32/77/73/573327773.db2.gz XNOMCLYRKBJICE-RKDXNWHRSA-N 0 0 159.232 2.524 10 0 AFAERN CNc1ccccc1[C@@H]1C[C@H]1C 238343343 573327788 /nfs/dbraw/zinc/32/77/88/573327788.db2.gz UEQNDDPYXBHFSK-PSASIEDQSA-N 0 0 161.248 2.852 10 0 AFAERN CNc1ccccc1[C@H](O)C=C(C)C 238343504 573327135 /nfs/dbraw/zinc/32/71/35/573327135.db2.gz JCXBUQMQJCFWKZ-GFCCVEGCSA-N 0 0 191.274 2.728 10 0 AFAERN CSCc1ccc2c(c1)CCCN2 258002721 573327138 /nfs/dbraw/zinc/32/71/38/573327138.db2.gz GESFYWAALSZUHK-UHFFFAOYSA-N 0 0 193.315 2.908 10 0 AFAERN Cc1nc(-c2cc[nH]c2)sc1C 259417644 573327179 /nfs/dbraw/zinc/32/71/79/573327179.db2.gz UZGWRNWXKAWQQW-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN C[C@H]1CCC[C@@H]1c1nc(F)cc(F)n1 690042720 573327219 /nfs/dbraw/zinc/32/72/19/573327219.db2.gz ZKMKKUVYOQPXJL-BQBZGAKWSA-N 0 0 198.216 2.658 10 0 AFAERN C=Cc1c(CO)ccc2ccccc12 143583916 573327229 /nfs/dbraw/zinc/32/72/29/573327229.db2.gz XXHKAQVMPXGXQI-UHFFFAOYSA-N 0 0 184.238 2.975 10 0 AFAERN Cc1cccc2c1[C@H]1C[C@H]1CN2 258629551 573327280 /nfs/dbraw/zinc/32/72/80/573327280.db2.gz XNOMCLYRKBJICE-IUCAKERBSA-N 0 0 159.232 2.524 10 0 AFAERN CC1(C)C(n2cn[nH]c2=S)C1(C)C 86240547 573327318 /nfs/dbraw/zinc/32/73/18/573327318.db2.gz IHFUNLBCFDFYAO-UHFFFAOYSA-N 0 0 197.307 2.548 10 0 AFAERN CC(C)C1=CC[C@@](C)(CO)C=C1 143591836 573327393 /nfs/dbraw/zinc/32/73/93/573327393.db2.gz BRRIGLAWKLPWKU-NSHDSACASA-N 0 0 166.264 2.527 10 0 AFAERN C[C@H]1NC=Cc2c1[nH]c1ccccc21 197315386 573327423 /nfs/dbraw/zinc/32/74/23/573327423.db2.gz RPVASPVOQPWXEH-MRVPVSSYSA-N 0 0 184.242 2.803 10 0 AFAERN Cc1nnc(NCCCCC(C)C)o1 308549950 573327612 /nfs/dbraw/zinc/32/76/12/573327612.db2.gz XEQCCQVCYQZLMK-UHFFFAOYSA-N 0 0 197.282 2.616 10 0 AFAERN CNC(=S)C[C@@H](C)c1ccc(C)o1 238359266 573330804 /nfs/dbraw/zinc/33/08/04/573330804.db2.gz BDZXEZSBFWLUCD-SSDOTTSWSA-N 0 0 197.303 2.628 10 0 AFAERN CCCCO[C@@H](C[NH3+])c1ccsc1 43125500 573330874 /nfs/dbraw/zinc/33/08/74/573330874.db2.gz GUEUXWLYFIYILQ-JTQLQIEISA-N 0 0 199.319 2.565 10 0 AFAERN Clc1ccc2c(c1)NCC1(CC1)O2 259419296 573330906 /nfs/dbraw/zinc/33/09/06/573330906.db2.gz YGROUAILMITWMW-UHFFFAOYSA-N 0 0 195.649 2.677 10 0 AFAERN CC[C@H](C)O[C@@H](C[NH3+])c1ccsc1 43125633 573330156 /nfs/dbraw/zinc/33/01/56/573330156.db2.gz TZNJFHGZUQPKSZ-WPRPVWTQSA-N 0 0 199.319 2.563 10 0 AFAERN CCCCC[C@@H](O)c1cn(CC)cn1 308550270 573330166 /nfs/dbraw/zinc/33/01/66/573330166.db2.gz PRHBUPOKGIEMEF-LLVKDONJSA-N 0 0 196.294 2.517 10 0 AFAERN CC[C@@H](C)O[C@H](C[NH3+])c1ccsc1 43125634 573330199 /nfs/dbraw/zinc/33/01/99/573330199.db2.gz TZNJFHGZUQPKSZ-PSASIEDQSA-N 0 0 199.319 2.563 10 0 AFAERN CC1(C)C(Nc2ccccn2)C1(C)C 86240478 573330266 /nfs/dbraw/zinc/33/02/66/573330266.db2.gz DZCYZNNCOHAELJ-UHFFFAOYSA-N 0 0 190.290 2.928 10 0 AFAERN CC[C@@H](O)/C=C/c1ccc(C)cc1 143558358 573330276 /nfs/dbraw/zinc/33/02/76/573330276.db2.gz DFKUUNULWFZDBG-IDVQTMNDSA-N 0 0 176.259 2.779 10 0 AFAERN C/C=C\COc1cc(F)c(C)cc1N 308549745 573330309 /nfs/dbraw/zinc/33/03/09/573330309.db2.gz RGXSKILQVHFBIE-ARJAWSKDSA-N 0 0 195.237 2.671 10 0 AFAERN CNC(=S)CCC1CCCC1 238358812 573330449 /nfs/dbraw/zinc/33/04/49/573330449.db2.gz LIONXRSTKHQRAB-UHFFFAOYSA-N 0 0 171.309 2.504 10 0 AFAERN CCCCC[C@H](O)c1cn(CC)cn1 308550274 573330579 /nfs/dbraw/zinc/33/05/79/573330579.db2.gz PRHBUPOKGIEMEF-NSHDSACASA-N 0 0 196.294 2.517 10 0 AFAERN Cc1coc([C@H](O)C2(C)CCC2)c1 715773111 573332519 /nfs/dbraw/zinc/33/25/19/573332519.db2.gz KQIGLLSQUINGML-JTQLQIEISA-N 0 0 180.247 2.812 10 0 AFAERN CC[C@H](C)COc1c(N)cccc1F 132649387 573332176 /nfs/dbraw/zinc/33/21/76/573332176.db2.gz BKKLTUFXGOEYJR-QMMMGPOBSA-N 0 0 197.253 2.833 10 0 AFAERN Cn1nccc1-c1c[nH]c2ccccc12 259088714 573332303 /nfs/dbraw/zinc/33/23/03/573332303.db2.gz DSKLIQLZHCIMEL-UHFFFAOYSA-N 0 0 197.241 2.568 10 0 AFAERN Cc1ccc2cc([C@@H](C)CO)oc2c1 258006271 573332975 /nfs/dbraw/zinc/33/29/75/573332975.db2.gz XHKIFWXBQJQACX-VIFPVBQESA-N 0 0 190.242 2.837 10 0 AFAERN CC(C)=C[C@H]1CCC(=O)C1(C)C 223038748 573334938 /nfs/dbraw/zinc/33/49/38/573334938.db2.gz ITSJBDMCNPFVLF-SECBINFHSA-N 0 0 166.264 2.958 10 0 AFAERN C1=Cn2c(cc3ccccc32)C1 117387785 573334947 /nfs/dbraw/zinc/33/49/47/573334947.db2.gz PXYYSIZBMMUWCB-UHFFFAOYSA-N 0 0 155.200 2.668 10 0 AFAERN CC[C@H](C)C1=C[C@@H]2C(=O)C[C@@H]2C1 117409189 573334967 /nfs/dbraw/zinc/33/49/67/573334967.db2.gz UVFNMNSSMFTTLV-HGNGGELXSA-N 0 0 164.248 2.568 10 0 AFAERN COc1cc(Cl)c2cnsc2c1 238360239 573334979 /nfs/dbraw/zinc/33/49/79/573334979.db2.gz FZNPOCXTQGHVKS-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN CC(C)(CF)c1ccc(N)cc1 258631305 573335005 /nfs/dbraw/zinc/33/50/05/573335005.db2.gz XUWWMAIJCBECQN-UHFFFAOYSA-N 0 0 167.227 2.516 10 0 AFAERN CC[C@H](C)Nc1nccc(Cl)c1N 74378143 573335397 /nfs/dbraw/zinc/33/53/97/573335397.db2.gz QQPCQKUKNXEYSG-LURJTMIESA-N 0 0 199.685 2.528 10 0 AFAERN C/C=C\COc1c(C)cccc1C=O 308349719 573335707 /nfs/dbraw/zinc/33/57/07/573335707.db2.gz LPRBEPBRSDHDJD-ARJAWSKDSA-N 0 0 190.242 2.762 10 0 AFAERN O=C1C[C@@H]2CC(C3CCCC3)=C[C@H]12 117418579 573335713 /nfs/dbraw/zinc/33/57/13/573335713.db2.gz ODRCKIZDEYMNAG-QWRGUYRKSA-N 0 0 176.259 2.712 10 0 AFAERN CC(C)=C[C@@H]1CCC(=O)C1(C)C 223038683 573335836 /nfs/dbraw/zinc/33/58/36/573335836.db2.gz ITSJBDMCNPFVLF-VIFPVBQESA-N 0 0 166.264 2.958 10 0 AFAERN Cc1c(N)cccc1OCCCCF 308560473 573335883 /nfs/dbraw/zinc/33/58/83/573335883.db2.gz WYMFNKBKELQSTC-UHFFFAOYSA-N 0 0 197.253 2.706 10 0 AFAERN CCN(C)c1ccc(F)c(C)c1 259089323 573335886 /nfs/dbraw/zinc/33/58/86/573335886.db2.gz NKBNFSPCWSHNHE-UHFFFAOYSA-N 0 0 167.227 2.590 10 0 AFAERN Cc1ccc(OCCCCF)c(N)c1 308560517 573336037 /nfs/dbraw/zinc/33/60/37/573336037.db2.gz WZZGXUCQPUPKHF-UHFFFAOYSA-N 0 0 197.253 2.706 10 0 AFAERN CC(C)(C)[C@@H](CCC1CCCC1)NN 132788541 573336116 /nfs/dbraw/zinc/33/61/16/573336116.db2.gz JQLZXFXIRFDPAV-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN CCC1([C@@H](NN)C(C)(C)C)CCCC1 132789446 573336208 /nfs/dbraw/zinc/33/62/08/573336208.db2.gz GLPPSQYVARMMGN-JTQLQIEISA-N 0 0 198.354 2.835 10 0 AFAERN CCCCCSCC(OC)OC 233029547 573336372 /nfs/dbraw/zinc/33/63/72/573336372.db2.gz DNKQDBSTHNAQDV-UHFFFAOYSA-N 0 0 192.324 2.529 10 0 AFAERN CCCC1([C@H](O)c2cccnc2)CC1 308560841 573336504 /nfs/dbraw/zinc/33/65/04/573336504.db2.gz XDYHGKVTIJPKGC-LLVKDONJSA-N 0 0 191.274 2.695 10 0 AFAERN CC[C@@H](C)Nc1nccc(Cl)c1N 74378139 573337274 /nfs/dbraw/zinc/33/72/74/573337274.db2.gz QQPCQKUKNXEYSG-ZCFIWIBFSA-N 0 0 199.685 2.528 10 0 AFAERN CCC[C@H](OCC)[C@H](O)c1ccoc1 132770609 573339788 /nfs/dbraw/zinc/33/97/88/573339788.db2.gz IKISTQXAUCGUQW-WDEREUQCSA-N 0 0 198.262 2.518 10 0 AFAERN C/C=C\COc1ccc([C@@H](C)O)cc1 208818384 573339313 /nfs/dbraw/zinc/33/93/13/573339313.db2.gz YKNWWQNKYCDAFW-UMBAGQNISA-N 0 0 192.258 2.695 10 0 AFAERN CNc1ccc(Cc2ccccn2)cc1 259091740 573339492 /nfs/dbraw/zinc/33/94/92/573339492.db2.gz JGIHPHAVMWXQDN-UHFFFAOYSA-N 0 0 198.269 2.714 10 0 AFAERN Cc1csc([C@H](C)O)c1Cl 235563119 573340650 /nfs/dbraw/zinc/34/06/50/573340650.db2.gz NWOLYJXKAIQZDU-YFKPBYRVSA-N 0 0 176.668 2.763 10 0 AFAERN Cc1ccc(CC[C@H](C)O)c(Cl)c1 235565721 573339643 /nfs/dbraw/zinc/33/96/43/573339643.db2.gz GLBANDRYEKEREB-VIFPVBQESA-N 0 0 198.693 2.962 10 0 AFAERN CCC[C@H](C)C[C@@H](NN)C1(CC)CC1 308554734 573339878 /nfs/dbraw/zinc/33/98/78/573339878.db2.gz UQVRTQYYKCQTHS-WDEREUQCSA-N 0 0 198.354 2.835 10 0 AFAERN CCSCC[C@@H]1CCCCC1=O 129592053 573339880 /nfs/dbraw/zinc/33/98/80/573339880.db2.gz CHRTUUHQLDJMNE-VIFPVBQESA-N 0 0 186.320 2.889 10 0 AFAERN CCc1ccc(C)c2c1OCCC2=O 238355755 573339934 /nfs/dbraw/zinc/33/99/34/573339934.db2.gz FGOMNKXYWVRECW-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN Nc1onc(-c2ccccc2)c1Cl 107073049 573339958 /nfs/dbraw/zinc/33/99/58/573339958.db2.gz OSFNLFKMQPATFB-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CCC[C@@H](C)C[C@@H](NN)C1(CC)CC1 308554731 573339986 /nfs/dbraw/zinc/33/99/86/573339986.db2.gz UQVRTQYYKCQTHS-GHMZBOCLSA-N 0 0 198.354 2.835 10 0 AFAERN CCSCCCCC(=O)CC 129586686 573340044 /nfs/dbraw/zinc/34/00/44/573340044.db2.gz BJYBQSFEUZLKEO-UHFFFAOYSA-N 0 0 174.309 2.889 10 0 AFAERN CCC[C@H](C)C[C@H](NN)C1(CC)CC1 308554733 573340074 /nfs/dbraw/zinc/34/00/74/573340074.db2.gz UQVRTQYYKCQTHS-QWRGUYRKSA-N 0 0 198.354 2.835 10 0 AFAERN CCc1ccc(C)c(C(O)=S)c1 238355125 573340078 /nfs/dbraw/zinc/34/00/78/573340078.db2.gz NPXIGAGTUMEJSC-UHFFFAOYSA-N 0 0 180.272 2.791 10 0 AFAERN CN(C)c1onc2cc(Cl)ccc12 107086772 573341410 /nfs/dbraw/zinc/34/14/10/573341410.db2.gz RASLLCRNZDSBFS-UHFFFAOYSA-N 0 0 196.637 2.547 10 0 AFAERN C/C=C\COc1c(F)cccc1C=O 308353085 573340488 /nfs/dbraw/zinc/34/04/88/573340488.db2.gz DZDIGNMLJQADLA-IHWYPQMZSA-N 0 0 194.205 2.593 10 0 AFAERN CCC1([C@H](NN)C(C)(C)C)CCCC1 132789279 573340489 /nfs/dbraw/zinc/34/04/89/573340489.db2.gz GLPPSQYVARMMGN-SNVBAGLBSA-N 0 0 198.354 2.835 10 0 AFAERN O=C(CCCCF)c1ccc(F)cn1 308554210 573340583 /nfs/dbraw/zinc/34/05/83/573340583.db2.gz UGVPSQYVVNADBD-UHFFFAOYSA-N 0 0 199.200 2.543 10 0 AFAERN CC(C)(C)CC1(CO)CCC1 259091537 573340730 /nfs/dbraw/zinc/34/07/30/573340730.db2.gz JDJYZRGMAQRNFE-UHFFFAOYSA-N 0 0 156.269 2.585 10 0 AFAERN C[C@H](F)c1ccccc1C1(O)CC1 258005045 573340750 /nfs/dbraw/zinc/34/07/50/573340750.db2.gz MFFNDKMNBMYFKK-QMMMGPOBSA-N 0 0 180.222 2.699 10 0 AFAERN CC(C)=CC[C@@H](C)/C=C(/C)CO 238467370 573341115 /nfs/dbraw/zinc/34/11/15/573341115.db2.gz PSIOIPWJOZPZPA-PAKSIRSJSA-N 0 0 168.280 2.917 10 0 AFAERN CCCC(=O)[C@@H]1CCO[C@H](CC)C1 211947816 573341125 /nfs/dbraw/zinc/34/11/25/573341125.db2.gz LWRSFXSOMMUIOS-NXEZZACHSA-N 0 0 184.279 2.561 10 0 AFAERN CCC[C@@H](OC)[C@@H](O)C(CC)CC 132809218 573341137 /nfs/dbraw/zinc/34/11/37/573341137.db2.gz UPAFONFHLCBEQG-MNOVXSKESA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)c1ccnc(CC(C)(C)O)c1 259086780 573341241 /nfs/dbraw/zinc/34/12/41/573341241.db2.gz CWVFURCXZNQUJI-UHFFFAOYSA-N 0 0 193.290 2.518 10 0 AFAERN CCc1cnccc1C(=O)[C@@H](C)CC 132809079 573341354 /nfs/dbraw/zinc/34/13/54/573341354.db2.gz BFFYAFASPXLYTD-VIFPVBQESA-N 0 0 191.274 2.873 10 0 AFAERN CC(C)(C)c1noc2ncccc12 107073943 573341368 /nfs/dbraw/zinc/34/13/68/573341368.db2.gz XFJQPWIJSNAMTB-UHFFFAOYSA-N 0 0 176.219 2.520 10 0 AFAERN CC(C)Nc1onc2cccc(F)c12 107079822 573342839 /nfs/dbraw/zinc/34/28/39/573342839.db2.gz NOMRGKYJRVHLEA-UHFFFAOYSA-N 0 0 194.209 2.787 10 0 AFAERN CCSCCC[C@@H]1CCCC1=O 129590710 573342856 /nfs/dbraw/zinc/34/28/56/573342856.db2.gz JFQXBQVBCSUIKY-VIFPVBQESA-N 0 0 186.320 2.889 10 0 AFAERN CSCCCCC(=O)C(C)C 129587786 573342969 /nfs/dbraw/zinc/34/29/69/573342969.db2.gz WWPNAXCHPMNMFT-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CSCCCC(=O)C(C)(C)C 129586442 573342987 /nfs/dbraw/zinc/34/29/87/573342987.db2.gz SHWZZZBZXMNOET-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CCc1cnccc1C(=O)CC(C)C 132801440 573343089 /nfs/dbraw/zinc/34/30/89/573343089.db2.gz XFUFWRONDLVOLP-UHFFFAOYSA-N 0 0 191.274 2.873 10 0 AFAERN CCc1ccc(C)c2cnoc12 238356304 573343857 /nfs/dbraw/zinc/34/38/57/573343857.db2.gz CAWXEEHGUDPEQM-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN CCOc1nccc2ccc(C)cc12 74387320 573343869 /nfs/dbraw/zinc/34/38/69/573343869.db2.gz UPUNYHYXQYZUKP-UHFFFAOYSA-N 0 0 187.242 2.942 10 0 AFAERN C[C@@H](O)c1cc2ccc(Cl)cc2[nH]1 258305365 573343933 /nfs/dbraw/zinc/34/39/33/573343933.db2.gz VIRXZFNWQVMBBX-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN CCc1cnccc1C(=O)[C@H](C)CC 132809313 573344010 /nfs/dbraw/zinc/34/40/10/573344010.db2.gz BFFYAFASPXLYTD-SECBINFHSA-N 0 0 191.274 2.873 10 0 AFAERN CCc1ccc(C)cc1NC(C)=O 238356819 573344072 /nfs/dbraw/zinc/34/40/72/573344072.db2.gz CBIGPDYMHFLCNN-UHFFFAOYSA-N 0 0 177.247 2.516 10 0 AFAERN O=C(S)Nc1coc2ccccc12 258634434 573344200 /nfs/dbraw/zinc/34/42/00/573344200.db2.gz FCVVBEBBNHEATQ-UHFFFAOYSA-N 0 0 193.227 2.895 10 0 AFAERN C[C@H](O)c1cc2ccc(Cl)cc2[nH]1 258305363 573344269 /nfs/dbraw/zinc/34/42/69/573344269.db2.gz VIRXZFNWQVMBBX-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN Nc1ccc(C2CCCC2)o1 107106453 573344328 /nfs/dbraw/zinc/34/43/28/573344328.db2.gz YMNHOOVFMGQNOC-UHFFFAOYSA-N 0 0 151.209 2.519 10 0 AFAERN C/C=C\CCNC(=O)CCC(C)(C)C 308354009 573344329 /nfs/dbraw/zinc/34/43/29/573344329.db2.gz WHHQSZCMQLDCQY-WAYWQWQTSA-N 0 0 197.322 2.895 10 0 AFAERN CCCCc1nnc(/C=C/SC)o1 308359370 573345503 /nfs/dbraw/zinc/34/55/03/573345503.db2.gz LRTPCZWFOCNXLF-VOTSOKGWSA-N 0 0 198.291 2.746 10 0 AFAERN CC[C@H](C)c1csc(N)c1 107105233 573345613 /nfs/dbraw/zinc/34/56/13/573345613.db2.gz CFXNORSUVSKADL-LURJTMIESA-N 0 0 155.266 2.844 10 0 AFAERN Nc1nc(CC2CCCCC2)cs1 78101335 573345826 /nfs/dbraw/zinc/34/58/26/573345826.db2.gz YGJMPXCKCADWLH-UHFFFAOYSA-N 0 0 196.319 2.848 10 0 AFAERN CC[C@H](NCC(F)(F)F)C(C)(C)C 308360804 573345840 /nfs/dbraw/zinc/34/58/40/573345840.db2.gz MECDLONWSASHBU-ZETCQYMHSA-N 0 0 197.244 2.963 10 0 AFAERN c1ccc([C@@]23CC[C@@H](CO2)C3)cc1 258305640 573346663 /nfs/dbraw/zinc/34/66/63/573346663.db2.gz SUQDBYKVHFCWTK-PWSUYJOCSA-N 0 0 174.243 2.712 10 0 AFAERN COc1cccc(C(C)(C)C)c1C=O 238363198 573346563 /nfs/dbraw/zinc/34/65/63/573346563.db2.gz YYOGRDGJGAKWHI-UHFFFAOYSA-N 0 0 192.258 2.805 10 0 AFAERN O[C@@H](C/C=C\Cl)c1ccccc1 209175107 573346782 /nfs/dbraw/zinc/34/67/82/573346782.db2.gz HWEIMQDNNDIROJ-PENHIPQLSA-N 0 0 182.650 2.863 10 0 AFAERN COc1cc(F)c2occc2c1 238364828 573349087 /nfs/dbraw/zinc/34/90/87/573349087.db2.gz BGLRRLBBOMSTEH-UHFFFAOYSA-N 0 0 166.151 2.581 10 0 AFAERN C[C@H]1CC(C)(C)C[C@@]12CC(=O)CCO2 235567843 573348746 /nfs/dbraw/zinc/34/87/46/573348746.db2.gz OWKAHQOBKHGSAO-CABZTGNLSA-N 0 0 196.290 2.561 10 0 AFAERN COc1ccc(C)c2cnsc12 238365977 573348974 /nfs/dbraw/zinc/34/89/74/573348974.db2.gz NWSXMKKCRFCSKK-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN COc1cc(F)cc(OC2CCC2)c1 238365113 573348897 /nfs/dbraw/zinc/34/88/97/573348897.db2.gz YJQQUZNNWFBADN-UHFFFAOYSA-N 0 0 196.221 2.766 10 0 AFAERN CC/C=C\C(=O)OCC(CC)CC 308361025 573348947 /nfs/dbraw/zinc/34/89/47/573348947.db2.gz MFSWLZVYSJLJAL-FPLPWBNLSA-N 0 0 184.279 2.932 10 0 AFAERN COc1ccc(C)c2c(O)cccc12 238365532 573348988 /nfs/dbraw/zinc/34/89/88/573348988.db2.gz SQMSIQZMSGWIHK-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CCCC(=O)[C@H]1CCO[C@@H](CC)C1 211948029 573349008 /nfs/dbraw/zinc/34/90/08/573349008.db2.gz LWRSFXSOMMUIOS-UWVGGRQHSA-N 0 0 184.279 2.561 10 0 AFAERN COc1c(C)cccc1OC1CCC1 238365661 573349177 /nfs/dbraw/zinc/34/91/77/573349177.db2.gz WTAAGCHMPDIPHK-UHFFFAOYSA-N 0 0 192.258 2.935 10 0 AFAERN CC(=O)c1nc(C)sc1C(C)C 258636295 573349275 /nfs/dbraw/zinc/34/92/75/573349275.db2.gz RPRNCGMKGWJJLZ-UHFFFAOYSA-N 0 0 183.276 2.778 10 0 AFAERN C[C@H](O)c1ccccc1C1CSC1 258006196 573350359 /nfs/dbraw/zinc/35/03/59/573350359.db2.gz GZOUCEUOCWGOPQ-QMMMGPOBSA-N 0 0 194.299 2.570 10 0 AFAERN C[C@H](c1cccc(O)c1)C1CC1 238366154 573349487 /nfs/dbraw/zinc/34/94/87/573349487.db2.gz RTPOFOSOCCKUTF-QMMMGPOBSA-N 0 0 162.232 2.906 10 0 AFAERN CC[C@H](C)C[C@H](O)c1ccncc1C 132831899 573349565 /nfs/dbraw/zinc/34/95/65/573349565.db2.gz RPFHTUASZSBEIC-CABZTGNLSA-N 0 0 193.290 2.860 10 0 AFAERN CCC1(CC(=O)c2cn[nH]c2)CCC1 308559482 573349765 /nfs/dbraw/zinc/34/97/65/573349765.db2.gz DIUGXZMSRNAAJW-UHFFFAOYSA-N 0 0 192.262 2.563 10 0 AFAERN CCOCc1coc2c(N)cccc12 258009412 573349803 /nfs/dbraw/zinc/34/98/03/573349803.db2.gz LQACADUUJBBGND-UHFFFAOYSA-N 0 0 191.230 2.552 10 0 AFAERN CSC[C@H]1CCc2ccccc2N1 258292502 573349937 /nfs/dbraw/zinc/34/99/37/573349937.db2.gz VVAIPFCILBZIFF-SNVBAGLBSA-N 0 0 193.315 2.776 10 0 AFAERN CSC[C@@H]1CCc2ccccc2N1 258292499 573349963 /nfs/dbraw/zinc/34/99/63/573349963.db2.gz VVAIPFCILBZIFF-JTQLQIEISA-N 0 0 193.315 2.776 10 0 AFAERN C/C(NC(=O)C(C)C)=C1\C=CCCC1 308357807 573350146 /nfs/dbraw/zinc/35/01/46/573350146.db2.gz VBIQWYNOPSVYPH-KHPPLWFESA-N 0 0 193.290 2.773 10 0 AFAERN c1ccc2c(c1)ncc1c[nH]cc12 117532201 573350337 /nfs/dbraw/zinc/35/03/37/573350337.db2.gz HNMHAFWWHHBJPC-UHFFFAOYSA-N 0 0 168.199 2.716 10 0 AFAERN CCCC[C@H]1CC[C@@H](NC(C)=O)CC1 308361982 573351602 /nfs/dbraw/zinc/35/16/02/573351602.db2.gz HOBVMXGTZYCTLY-TXEJJXNPSA-N 0 0 197.322 2.872 10 0 AFAERN Cc1nc(C(=O)[C@@H](C)CC(C)C)co1 308558485 573351711 /nfs/dbraw/zinc/35/17/11/573351711.db2.gz UQICQZMWXHKIMN-QMMMGPOBSA-N 0 0 195.262 2.848 10 0 AFAERN COc1ccc(C)c2cc(N)ccc12 238365780 573350848 /nfs/dbraw/zinc/35/08/48/573350848.db2.gz RHAIOYPAVHYDEL-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN COc1c(C)ccc2[nH]c(Cl)nc12 238364831 573351127 /nfs/dbraw/zinc/35/11/27/573351127.db2.gz IREMCXCFDMPONX-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1ccncc1C 132832082 573351160 /nfs/dbraw/zinc/35/11/60/573351160.db2.gz RPFHTUASZSBEIC-BXKDBHETSA-N 0 0 193.290 2.860 10 0 AFAERN CNc1cc(C)c2ncccc2c1 238365455 573351230 /nfs/dbraw/zinc/35/12/30/573351230.db2.gz CVDLOGTVDJHDAN-UHFFFAOYSA-N 0 0 172.231 2.585 10 0 AFAERN S=c1[nH]ccn1C1CC(C2CC2)C1 714680235 573351504 /nfs/dbraw/zinc/35/15/04/573351504.db2.gz QITHTQWBBHZNIP-UHFFFAOYSA-N 0 0 194.303 2.533 10 0 AFAERN Cc1ccccc1COc1cccnc1 126112720 573351536 /nfs/dbraw/zinc/35/15/36/573351536.db2.gz MIDHVVXSBAZRPJ-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN COc1c(C)ccc2cnsc12 238364692 573351561 /nfs/dbraw/zinc/35/15/61/573351561.db2.gz URGCDVVEIDIKQI-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN COC(=O)/C=C(/CCC(C)C)C1CC1 308559196 573351563 /nfs/dbraw/zinc/35/15/63/573351563.db2.gz UXOPQVSGGYBPOV-FLIBITNWSA-N 0 0 196.290 2.932 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1ccncc1C 132832280 573351619 /nfs/dbraw/zinc/35/16/19/573351619.db2.gz RPFHTUASZSBEIC-JOYOIKCWSA-N 0 0 193.290 2.860 10 0 AFAERN CC1=CCC(C(=O)C(F)(F)F)=CC1 39055042 573353171 /nfs/dbraw/zinc/35/31/71/573353171.db2.gz QDPITTKMWZTQRA-UHFFFAOYSA-N 0 0 190.164 2.784 10 0 AFAERN COc1c(C)cnc(C)c1C(F)F 238367813 573352316 /nfs/dbraw/zinc/35/23/16/573352316.db2.gz VQMUWFNQMPRYMH-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN CCC(=O)[C@H](C)CC1CCC(O)CC1 308558718 573352499 /nfs/dbraw/zinc/35/24/99/573352499.db2.gz CUXPSAWJYLKAFY-KPPDAEKUSA-N 0 0 198.306 2.543 10 0 AFAERN CCOC(=O)/C(C)=C\[C@]1(C)C[C@@H]1C 714678533 573352529 /nfs/dbraw/zinc/35/25/29/573352529.db2.gz JQUXPQMYTNSIRO-UVKOUAQWSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)=C[C@H](C)[C@@H]1CC=C[C@@H]1O 238367915 573352531 /nfs/dbraw/zinc/35/25/31/573352531.db2.gz IFMQLFUYJDQTKB-DCAQKATOSA-N 0 0 166.264 2.526 10 0 AFAERN COc1ccc(OC(C)C)c(C)c1 117501329 573352603 /nfs/dbraw/zinc/35/26/03/573352603.db2.gz XRJCCHMXYCMCFG-UHFFFAOYSA-N 0 0 180.247 2.791 10 0 AFAERN CCC[C@H](OC)C(=O)CC1(C)CCC1 308559322 573352621 /nfs/dbraw/zinc/35/26/21/573352621.db2.gz DEVLKRQOYYCVBD-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN C[C@H](OC(=O)CC1(C)CC1)C1CC1 308356676 573352629 /nfs/dbraw/zinc/35/26/29/573352629.db2.gz BLJLOIUGMZBODX-QMMMGPOBSA-N 0 0 182.263 2.518 10 0 AFAERN CC(C)=C[C@H](C)[C@@H](O)C(C)(C)C 238367859 573352670 /nfs/dbraw/zinc/35/26/70/573352670.db2.gz ICYADBFVSVVISZ-VHSXEESVSA-N 0 0 170.296 2.996 10 0 AFAERN CC(C)C(C(C)C)[C@@H](CC1CC1)NN 308558945 573352798 /nfs/dbraw/zinc/35/27/98/573352798.db2.gz UVTBNSQNSBTSTC-LLVKDONJSA-N 0 0 198.354 2.547 10 0 AFAERN C[C@H]1CCC[C@]1(O)CCC1CC1 235570948 573352803 /nfs/dbraw/zinc/35/28/03/573352803.db2.gz CIDJMESQQFODIB-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H](O)c1cccc(C2CSC2)c1 258006248 573352814 /nfs/dbraw/zinc/35/28/14/573352814.db2.gz HAXPNASNSBKVAJ-QMMMGPOBSA-N 0 0 194.299 2.570 10 0 AFAERN C[C@@H](O)c1cccc(C2CSC2)c1 258006246 573352853 /nfs/dbraw/zinc/35/28/53/573352853.db2.gz HAXPNASNSBKVAJ-MRVPVSSYSA-N 0 0 194.299 2.570 10 0 AFAERN Cc1cnccc1[C@H](O)CCC(C)C 132837117 573352879 /nfs/dbraw/zinc/35/28/79/573352879.db2.gz UOZIUYUEECGQEP-GFCCVEGCSA-N 0 0 193.290 2.860 10 0 AFAERN CC(C)c1nc2ccccn2c1N=O 74543404 573352925 /nfs/dbraw/zinc/35/29/25/573352925.db2.gz NTZBFIPUJKCJPI-UHFFFAOYSA-N 0 0 189.218 2.856 10 0 AFAERN CCC(=O)[C@@H](C)CC1CCC(O)CC1 308558719 573353054 /nfs/dbraw/zinc/35/30/54/573353054.db2.gz CUXPSAWJYLKAFY-WHXUTIOJSA-N 0 0 198.306 2.543 10 0 AFAERN CCc1ccc(C)cc1CC1(O)CC1 258006214 573353136 /nfs/dbraw/zinc/35/31/36/573353136.db2.gz HAHYFNNGBRCLBT-UHFFFAOYSA-N 0 0 190.286 2.625 10 0 AFAERN O=C(OCCC1CCC1)C1CCC1 308357525 573353767 /nfs/dbraw/zinc/35/37/67/573353767.db2.gz BKNIDDNDJPPQCA-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CCc1cnccc1[C@H](O)[C@@H](C)CC 132856583 573353768 /nfs/dbraw/zinc/35/37/68/573353768.db2.gz ZOFSPKOZWKAKFB-JOYOIKCWSA-N 0 0 193.290 2.724 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1c1ccc(F)cc1 83001553 573353772 /nfs/dbraw/zinc/35/37/72/573353772.db2.gz ADQVATGHKPBJGJ-KCJUWKMLSA-N 0 0 192.233 2.908 10 0 AFAERN CNc1nc(-c2ccccc2)c(C)o1 258493360 573354200 /nfs/dbraw/zinc/35/42/00/573354200.db2.gz COXFJJRYFMEZJA-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CCCC[C@@H](O)c1ccncc1C 132847307 573354284 /nfs/dbraw/zinc/35/42/84/573354284.db2.gz CQLPFNSFUDJDMR-LLVKDONJSA-N 0 0 179.263 2.614 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1C1CCCC1 83001799 573354345 /nfs/dbraw/zinc/35/43/45/573354345.db2.gz MPRQRUHJQUZPBN-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1c1ccc(F)cc1 83001551 573354406 /nfs/dbraw/zinc/35/44/06/573354406.db2.gz ADQVATGHKPBJGJ-LDYMZIIASA-N 0 0 192.233 2.908 10 0 AFAERN C/C=C/C=C\COC(=O)/C=C\CC 308356459 573354435 /nfs/dbraw/zinc/35/44/35/573354435.db2.gz KULBGDBJJOZICA-FQVOTRQSSA-N 0 0 180.247 2.628 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1Cc1ccsc1 83001948 573354475 /nfs/dbraw/zinc/35/44/75/573354475.db2.gz JJMKQEYUKFEHCA-WCBMZHEXSA-N 0 0 194.299 2.906 10 0 AFAERN O[C@H](CC1CC1)C1CCCCC1 82999803 573354519 /nfs/dbraw/zinc/35/45/19/573354519.db2.gz WAJSEMMWVOKWMX-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc(F)cc1[C@@H](O)CC1CC1 82999852 573354539 /nfs/dbraw/zinc/35/45/39/573354539.db2.gz IWHIMBUYWYMTDO-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1Cc1cccs1 83002882 573354575 /nfs/dbraw/zinc/35/45/75/573354575.db2.gz AAMVJUAVPLWOIM-IUCAKERBSA-N 0 0 194.299 2.906 10 0 AFAERN Clc1cc2c(s1)CCCN2 258010043 573354600 /nfs/dbraw/zinc/35/46/00/573354600.db2.gz MYOXAGUHNHTKMN-UHFFFAOYSA-N 0 0 173.668 2.760 10 0 AFAERN CC1CCC([C@@H](O)CC2CC2)CC1 82999848 573354606 /nfs/dbraw/zinc/35/46/06/573354606.db2.gz ZOKDKPBRCIMURE-NHNAUAITSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1c1ccccc1F 83001756 573354663 /nfs/dbraw/zinc/35/46/63/573354663.db2.gz RIGMKMACHRFXQY-DTWKUNHWSA-N 0 0 192.233 2.908 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1Cc1cccs1 83002880 573354713 /nfs/dbraw/zinc/35/47/13/573354713.db2.gz AAMVJUAVPLWOIM-BDAKNGLRSA-N 0 0 194.299 2.906 10 0 AFAERN CC1=CC(C)(C)CC[C@]1(C)O 39059548 573354749 /nfs/dbraw/zinc/35/47/49/573354749.db2.gz UWMGOSPYFJLICA-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1Cc1ccccc1 83001740 573354756 /nfs/dbraw/zinc/35/47/56/573354756.db2.gz LVRWFFKJEWCLGQ-JQWIXIFHSA-N 0 0 188.270 2.844 10 0 AFAERN c1ccc2c(c1)NCC1(CCCC1)O2 74536695 573354838 /nfs/dbraw/zinc/35/48/38/573354838.db2.gz VEVWXQFCJJFLFE-UHFFFAOYSA-N 0 0 189.258 2.804 10 0 AFAERN CC1=CC(C)(C)CC[C@@]1(C)O 39059547 573354849 /nfs/dbraw/zinc/35/48/49/573354849.db2.gz UWMGOSPYFJLICA-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H](C)S[C@@H]1CCC(=O)[C@@H]1C 83000467 573354870 /nfs/dbraw/zinc/35/48/70/573354870.db2.gz SGSHUZPSFHISAE-OYNCUSHFSA-N 0 0 186.320 2.886 10 0 AFAERN C[C@H](O)CCC[C@@H]1C[C@H](C)CCC1=O 308561602 573354914 /nfs/dbraw/zinc/35/49/14/573354914.db2.gz FOIYSRXRWJFONU-OUAUKWLOSA-N 0 0 198.306 2.543 10 0 AFAERN C/C=C/C=C\COC(=O)/C=C/CC 308356464 573354963 /nfs/dbraw/zinc/35/49/63/573354963.db2.gz KULBGDBJJOZICA-VCUYHMSNSA-N 0 0 180.247 2.628 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1c1ccc(F)cc1 83001554 573354975 /nfs/dbraw/zinc/35/49/75/573354975.db2.gz ADQVATGHKPBJGJ-KWQFWETISA-N 0 0 192.233 2.908 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1C1CCCC1 83001801 573354989 /nfs/dbraw/zinc/35/49/89/573354989.db2.gz MPRQRUHJQUZPBN-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1noc2c(Cl)c(C=O)ccc12 259426608 573355009 /nfs/dbraw/zinc/35/50/09/573355009.db2.gz NLYAVCGUYRVAFF-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1SC(C)(C)C 83000470 573355108 /nfs/dbraw/zinc/35/51/08/573355108.db2.gz QAVNXWMHAYDJMM-IONNQARKSA-N 0 0 186.320 2.886 10 0 AFAERN CC(C)=C[C@H](C)/C=C(\C)CO 238368153 573355035 /nfs/dbraw/zinc/35/50/35/573355035.db2.gz RLZCEKMLXXIFTB-CMWXKVOJSA-N 0 0 154.253 2.527 10 0 AFAERN CC(C)(C)C[C@H](O)CC1CC1 82999911 573355081 /nfs/dbraw/zinc/35/50/81/573355081.db2.gz XOGFINGCJCPIQE-SECBINFHSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1c1ccc(F)cc1 83001552 573355088 /nfs/dbraw/zinc/35/50/88/573355088.db2.gz ADQVATGHKPBJGJ-GZMMTYOYSA-N 0 0 192.233 2.908 10 0 AFAERN C/C=C/C=C/COC(=O)/C=C\CC 308356456 573355094 /nfs/dbraw/zinc/35/50/94/573355094.db2.gz KULBGDBJJOZICA-FKRFUGTGSA-N 0 0 180.247 2.628 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1C(C)(C)C 83002710 573355150 /nfs/dbraw/zinc/35/51/50/573355150.db2.gz CVJFLOHLZIOWHW-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CC1CCC([C@H](O)CC2CC2)CC1 82999847 573355205 /nfs/dbraw/zinc/35/52/05/573355205.db2.gz ZOKDKPBRCIMURE-QEWOUOOISA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H](O)CCC[C@H]1C[C@H](C)CCC1=O 308561603 573355221 /nfs/dbraw/zinc/35/52/21/573355221.db2.gz FOIYSRXRWJFONU-VWYCJHECSA-N 0 0 198.306 2.543 10 0 AFAERN Cc1ccc([C@H](O)CC2CC2)cc1F 82999801 573355222 /nfs/dbraw/zinc/35/52/22/573355222.db2.gz IPIZXQJFJAQXCL-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN COc1cccc(CC(C)(C)C)c1N 238367439 573355232 /nfs/dbraw/zinc/35/52/32/573355232.db2.gz DXGWWNFTANYQPT-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN CCC/C=C/COC(=O)C1CCC1 308357542 573355241 /nfs/dbraw/zinc/35/52/41/573355241.db2.gz BLRGWSXGVAOOEU-SNAWJCMRSA-N 0 0 182.263 2.686 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1c1cccc(F)c1 83002522 573355268 /nfs/dbraw/zinc/35/52/68/573355268.db2.gz KDWQHJULJNJATK-KWQFWETISA-N 0 0 192.233 2.908 10 0 AFAERN Cc1cc(C(=O)OCC2CC2)cs1 308356656 573355304 /nfs/dbraw/zinc/35/53/04/573355304.db2.gz BKWVDSGUZAIJRE-UHFFFAOYSA-N 0 0 196.271 2.623 10 0 AFAERN CCCC[C@@H](O)c1ccncc1CC 132874787 573355306 /nfs/dbraw/zinc/35/53/06/573355306.db2.gz ZHFRMURKEIEGSE-GFCCVEGCSA-N 0 0 193.290 2.868 10 0 AFAERN CC(C)CS[C@@H]1CCC(=O)[C@H]1C 83000404 573355399 /nfs/dbraw/zinc/35/53/99/573355399.db2.gz PMWQWJFKUMBTIK-PSASIEDQSA-N 0 0 186.320 2.743 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1C1CCCC1 83001802 573355409 /nfs/dbraw/zinc/35/54/09/573355409.db2.gz MPRQRUHJQUZPBN-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)CCC(=O)CC1CC1 82999680 573355422 /nfs/dbraw/zinc/35/54/22/573355422.db2.gz BJHOOKDNNHKLIL-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CCC[C@@H](C1CC1)n1cc(N)c(C)n1 716720715 573355426 /nfs/dbraw/zinc/35/54/26/573355426.db2.gz XQWRPEAQVOJDLJ-NSHDSACASA-N 0 0 193.294 2.525 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1C(C)(C)C 83002711 573355432 /nfs/dbraw/zinc/35/54/32/573355432.db2.gz CVJFLOHLZIOWHW-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CCC[C@@H](C)OC(=O)/C=C/C1CC1 308356448 573355892 /nfs/dbraw/zinc/35/58/92/573355892.db2.gz KUKGXLMPVNFFNF-FCZSHJHJSA-N 0 0 182.263 2.684 10 0 AFAERN Cc1ccccc1C(=O)CC1CC1 82999656 573355470 /nfs/dbraw/zinc/35/54/70/573355470.db2.gz DZCLDCNYFWRMDD-UHFFFAOYSA-N 0 0 174.243 2.978 10 0 AFAERN O[C@H](CC1CC1)c1ccccc1F 82999883 573355488 /nfs/dbraw/zinc/35/54/88/573355488.db2.gz YGZGTJKASCQRDA-LLVKDONJSA-N 0 0 180.222 2.659 10 0 AFAERN O[C@@H](CC1CC1)C1CCCCC1 82999804 573355572 /nfs/dbraw/zinc/35/55/72/573355572.db2.gz WAJSEMMWVOKWMX-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)=C[C@H](C)[C@H]1CC=C[C@@H]1O 238368086 573355584 /nfs/dbraw/zinc/35/55/84/573355584.db2.gz IFMQLFUYJDQTKB-AXFHLTTASA-N 0 0 166.264 2.526 10 0 AFAERN C[C@@H](CNc1ccccc1)C(C)(C)O 238366860 573355598 /nfs/dbraw/zinc/35/55/98/573355598.db2.gz OBONRKLOTGLBQT-JTQLQIEISA-N 0 0 193.290 2.506 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1C1CCCC1 83001800 573355612 /nfs/dbraw/zinc/35/56/12/573355612.db2.gz MPRQRUHJQUZPBN-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN COc1c(C)cnc(C(F)F)c1C 238367359 573355651 /nfs/dbraw/zinc/35/56/51/573355651.db2.gz CGDVKLYYGBZHNC-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN CCCC[C@H](O)c1ccncc1C 132847087 573355754 /nfs/dbraw/zinc/35/57/54/573355754.db2.gz CQLPFNSFUDJDMR-NSHDSACASA-N 0 0 179.263 2.614 10 0 AFAERN Cc1cccc(C(=O)CC2CC2)c1 82999657 573355856 /nfs/dbraw/zinc/35/58/56/573355856.db2.gz FDUOPQGORTTWNR-UHFFFAOYSA-N 0 0 174.243 2.978 10 0 AFAERN Cc1cc([C@H](O)CC2CC2)ccc1F 82999815 573355863 /nfs/dbraw/zinc/35/58/63/573355863.db2.gz MSKFZMKNAJNJDE-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1SC(C)(C)C 83000471 573355920 /nfs/dbraw/zinc/35/59/20/573355920.db2.gz QAVNXWMHAYDJMM-VXNVDRBHSA-N 0 0 186.320 2.886 10 0 AFAERN Cc1csc2cccc(N)c12 107120263 573355950 /nfs/dbraw/zinc/35/59/50/573355950.db2.gz JLACKLXFQYGANL-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN CC(C)c1cc2c(o1)CCC2=O 107120327 573355966 /nfs/dbraw/zinc/35/59/66/573355966.db2.gz NSUVXVLVXVPJBG-UHFFFAOYSA-N 0 0 164.204 2.532 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1Cc1ccccc1 83001741 573355970 /nfs/dbraw/zinc/35/59/70/573355970.db2.gz LVRWFFKJEWCLGQ-ZYHUDNBSSA-N 0 0 188.270 2.844 10 0 AFAERN CCc1cc2cccc(N)c2o1 107119993 573356106 /nfs/dbraw/zinc/35/61/06/573356106.db2.gz SKXHISANBHBGIP-UHFFFAOYSA-N 0 0 161.204 2.577 10 0 AFAERN CCc1cnccc1[C@H](O)CC(C)C 132854933 573356015 /nfs/dbraw/zinc/35/60/15/573356015.db2.gz CPIUEKROJBOOON-GFCCVEGCSA-N 0 0 193.290 2.724 10 0 AFAERN OCc1ccccc1[C@H]1C[C@@H]1C(F)F 258010790 573356034 /nfs/dbraw/zinc/35/60/34/573356034.db2.gz HEZZEOLJTJTKHL-ZJUUUORDSA-N 0 0 198.212 2.548 10 0 AFAERN CCC[C@@H](C)OC(=O)/C=C\C1CC1 308356454 573356091 /nfs/dbraw/zinc/35/60/91/573356091.db2.gz KUKGXLMPVNFFNF-UFGYOYAJSA-N 0 0 182.263 2.684 10 0 AFAERN Cc1ccc([C@@H](O)CC2CC2)cc1F 82999802 573356918 /nfs/dbraw/zinc/35/69/18/573356918.db2.gz IPIZXQJFJAQXCL-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1c1cccc(F)c1 83002520 573356844 /nfs/dbraw/zinc/35/68/44/573356844.db2.gz KDWQHJULJNJATK-KCJUWKMLSA-N 0 0 192.233 2.908 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@H](O)CC2CC2)C1 82999845 573356889 /nfs/dbraw/zinc/35/68/89/573356889.db2.gz ZDWYSZCEOOCKCL-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1cc(C)c(C)c(CCCO)c1 258010055 573358157 /nfs/dbraw/zinc/35/81/57/573358157.db2.gz MZDDHXAIABGZSW-UHFFFAOYSA-N 0 0 178.275 2.537 10 0 AFAERN CC(C)CCCCNC(=O)CC(C)C 74600191 573358256 /nfs/dbraw/zinc/35/82/56/573358256.db2.gz BYPYINBQCRJKPM-UHFFFAOYSA-N 0 0 199.338 2.975 10 0 AFAERN CSc1cc(N)c2cccnc2c1 238368757 573358222 /nfs/dbraw/zinc/35/82/22/573358222.db2.gz BTOLBRYMWPYJRB-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CCc1cnccc1[C@@H](O)[C@@H](C)CC 132856786 573358247 /nfs/dbraw/zinc/35/82/47/573358247.db2.gz ZOFSPKOZWKAKFB-CABZTGNLSA-N 0 0 193.290 2.724 10 0 AFAERN CC(C)(O)c1c[nH]c2cccc(F)c12 258010384 573358261 /nfs/dbraw/zinc/35/82/61/573358261.db2.gz CQGATSTWFPICKD-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN CC[C@@H](CF)Nc1ccccc1 107121318 573358416 /nfs/dbraw/zinc/35/84/16/573358416.db2.gz BODYSXJBSGRQFD-VIFPVBQESA-N 0 0 167.227 2.847 10 0 AFAERN C[C@H]1CCCc2cnc(C3CC3)n21 258293105 573358527 /nfs/dbraw/zinc/35/85/27/573358527.db2.gz OEVOVQMXYWRROO-QMMMGPOBSA-N 0 0 176.263 2.658 10 0 AFAERN Cc1cnccc1[C@@H](O)CCC(C)C 132837337 573358619 /nfs/dbraw/zinc/35/86/19/573358619.db2.gz UOZIUYUEECGQEP-LBPRGKRZSA-N 0 0 193.290 2.860 10 0 AFAERN C[C@H](O)CCC[C@H]1C[C@@H](C)CCC1=O 308561600 573358625 /nfs/dbraw/zinc/35/86/25/573358625.db2.gz FOIYSRXRWJFONU-DCAQKATOSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H]1C=C[C@H](O)CCCC1 39059519 573359157 /nfs/dbraw/zinc/35/91/57/573359157.db2.gz SHAAKVXKTYQRQY-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN CCCC/C=C1/CCC[C@@H]1O 211679708 573360767 /nfs/dbraw/zinc/36/07/67/573360767.db2.gz IPIJUNGFPIEEBR-MBACFSSFSA-N 0 0 154.253 2.648 10 0 AFAERN Nc1ccc(C2CCC2)cc1F 117672006 573359767 /nfs/dbraw/zinc/35/97/67/573359767.db2.gz UPVQJAUHZOXUAS-UHFFFAOYSA-N 0 0 165.211 2.675 10 0 AFAERN CC[C@H](C)c1nn([C@H](C)CC)cc1N 308562884 573359789 /nfs/dbraw/zinc/35/97/89/573359789.db2.gz XDBZDFUROVASMX-DTWKUNHWSA-N 0 0 195.310 2.950 10 0 AFAERN O=Cc1c[nH]c(CC2CCCCC2)c1 82321950 573359829 /nfs/dbraw/zinc/35/98/29/573359829.db2.gz KPWQDXFSUQVWLO-UHFFFAOYSA-N 0 0 191.274 2.950 10 0 AFAERN CC(C)=C=CC=C=C(C)[C@@H](C)CO 238368609 573359878 /nfs/dbraw/zinc/35/98/78/573359878.db2.gz DKJWGYKWAOUEEG-MYIOLCAUSA-N 0 0 178.275 2.838 10 0 AFAERN Cc1cc(C)c(Cl)c(C2(O)CC2)c1 214862933 573359975 /nfs/dbraw/zinc/35/99/75/573359975.db2.gz XJEWTBDJKOXASX-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN CCc1ccc([C@H](C)NOC)s1 132995764 573359999 /nfs/dbraw/zinc/35/99/99/573359999.db2.gz SBAPPYSGTIUMIW-ZETCQYMHSA-N 0 0 185.292 2.523 10 0 AFAERN Cc1cc(C2(O)CC2)cc(C)c1Cl 214863078 573360038 /nfs/dbraw/zinc/36/00/38/573360038.db2.gz NEPUBBZZUCUHJQ-UHFFFAOYSA-N 0 0 196.677 2.938 10 0 AFAERN C=Cc1ccc(F)c(C)c1 78142217 573360064 /nfs/dbraw/zinc/36/00/64/573360064.db2.gz GWYGXESLNGSETN-UHFFFAOYSA-N 0 0 136.169 2.777 10 0 AFAERN CCc1cc(Cl)cc(C2(O)CC2)c1 214862372 573360160 /nfs/dbraw/zinc/36/01/60/573360160.db2.gz SKYZPWNZNXPSMU-UHFFFAOYSA-N 0 0 196.677 2.884 10 0 AFAERN C[C@@H]1Sc2ccccc2C(=O)[C@@H]1C 86308362 573360181 /nfs/dbraw/zinc/36/01/81/573360181.db2.gz MJCCTFHIKVJQFC-SFYZADRCSA-N 0 0 192.283 3.000 10 0 AFAERN CC(C)=C/C=C/C[C@@H](C)CO 238368861 573360218 /nfs/dbraw/zinc/36/02/18/573360218.db2.gz VOPMCHBWEUCZJB-ORAHPGNNSA-N 0 0 154.253 2.527 10 0 AFAERN CSc1cc(F)cc2c1CCN2 238368673 573360240 /nfs/dbraw/zinc/36/02/40/573360240.db2.gz JEKNUTPVRKWWHM-UHFFFAOYSA-N 0 0 183.251 2.516 10 0 AFAERN CCCC(CCC)C1(O)CC1 133012136 573360382 /nfs/dbraw/zinc/36/03/82/573360382.db2.gz GURSBRSBQSFDKD-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN CCCC(CCC)c1nc(N)ns1 133042661 573360396 /nfs/dbraw/zinc/36/03/96/573360396.db2.gz DYAVLKSZCFFSEN-UHFFFAOYSA-N 0 0 199.323 2.804 10 0 AFAERN CCC1([C@H](NN)[C@H](C)CC(C)C)CC1 308563051 573360420 /nfs/dbraw/zinc/36/04/20/573360420.db2.gz YPFKTJSXWUCMKH-GHMZBOCLSA-N 0 0 198.354 2.691 10 0 AFAERN CCn1cc(Oc2ccccc2)cn1 258293712 573360429 /nfs/dbraw/zinc/36/04/29/573360429.db2.gz CFUPTQFJWYHHTE-UHFFFAOYSA-N 0 0 188.230 2.695 10 0 AFAERN CCCC(CCC)[C@@]1(O)C[C@H]1C 133013014 573362917 /nfs/dbraw/zinc/36/29/17/573362917.db2.gz ZJNZFDLXCOUSRR-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(CC)NC(=O)/C=C\C(C)C 308368652 573362936 /nfs/dbraw/zinc/36/29/36/573362936.db2.gz PHCLVLRFBXNEDJ-FPLPWBNLSA-N 0 0 183.295 2.503 10 0 AFAERN Cc1ccc(OCc2cnco2)cc1 258007383 573362331 /nfs/dbraw/zinc/36/23/31/573362331.db2.gz CNBSLOMFUFYKDV-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN CC[C@@H](CO)c1csc(C(C)C)n1 259427721 573362484 /nfs/dbraw/zinc/36/24/84/573362484.db2.gz VRLPZCHODZGWII-QMMMGPOBSA-N 0 0 199.319 2.752 10 0 AFAERN CCCC(CCC)[C@]1(O)C[C@H]1C 133012801 573362487 /nfs/dbraw/zinc/36/24/87/573362487.db2.gz ZJNZFDLXCOUSRR-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC1C=C2C=CC=CN2C1=S 259428197 573362491 /nfs/dbraw/zinc/36/24/91/573362491.db2.gz JCBNRTBZTJJQJD-UHFFFAOYSA-N 0 0 163.245 2.536 10 0 AFAERN CNc1nsc2ccc(F)c(C)c12 238361701 573362506 /nfs/dbraw/zinc/36/25/06/573362506.db2.gz GXAVAPBGUBUPFW-UHFFFAOYSA-N 0 0 196.250 2.786 10 0 AFAERN CCC1([C@@H](NN)[C@@H](C)CC(C)C)CC1 308563054 573362783 /nfs/dbraw/zinc/36/27/83/573362783.db2.gz YPFKTJSXWUCMKH-QWRGUYRKSA-N 0 0 198.354 2.691 10 0 AFAERN CC(C)c1cc2c(o1)CCCC2=O 107126244 573362850 /nfs/dbraw/zinc/36/28/50/573362850.db2.gz VCGHQHWMCRINIP-UHFFFAOYSA-N 0 0 178.231 2.922 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1CC1CCCC1 83035411 573362875 /nfs/dbraw/zinc/36/28/75/573362875.db2.gz SYSVAFQCCXPCCL-DLOVCJGASA-N 0 0 182.307 2.974 10 0 AFAERN Cc1ccc([C@@H]2CC[C@@H](O)[C@@H]2C)cc1 83036702 573362895 /nfs/dbraw/zinc/36/28/95/573362895.db2.gz BIOGFKVECJHEIH-RAIGVLPGSA-N 0 0 190.286 2.869 10 0 AFAERN CON[C@H](c1cccs1)C(C)C 133005532 573363864 /nfs/dbraw/zinc/36/38/64/573363864.db2.gz IGKLZZLZTDCMHL-VIFPVBQESA-N 0 0 185.292 2.596 10 0 AFAERN CCC[C@@H](C)Nc1ccnn1CC 308369978 573363829 /nfs/dbraw/zinc/36/38/29/573363829.db2.gz PUFAEESVRFBDII-SECBINFHSA-N 0 0 181.283 2.504 10 0 AFAERN COC[C@H]1CSc2ccccc21 86330102 573364482 /nfs/dbraw/zinc/36/44/82/573364482.db2.gz YFOSCFYBMVAXPL-QMMMGPOBSA-N 0 0 180.272 2.522 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1Cc1ccccc1 83036557 573364487 /nfs/dbraw/zinc/36/44/87/573364487.db2.gz PSXMSILNKMGFHA-UHTWSYAYSA-N 0 0 190.286 2.636 10 0 AFAERN Cc1cc2c(cc1F)SCCN2 107129529 573364504 /nfs/dbraw/zinc/36/45/04/573364504.db2.gz HRXAPMWLHVPRDT-UHFFFAOYSA-N 0 0 183.251 2.652 10 0 AFAERN CC[C@H](CO)c1csc(C(C)C)n1 259427718 573364509 /nfs/dbraw/zinc/36/45/09/573364509.db2.gz VRLPZCHODZGWII-MRVPVSSYSA-N 0 0 199.319 2.752 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H]1c1ccccc1 107124837 573364523 /nfs/dbraw/zinc/36/45/23/573364523.db2.gz MODWSJCNUNCNKR-SKDRFNHKSA-N 0 0 174.243 2.769 10 0 AFAERN Cc1ccc([C@@H]2CC[C@H](O)[C@@H]2C)cc1 83036696 573364568 /nfs/dbraw/zinc/36/45/68/573364568.db2.gz BIOGFKVECJHEIH-RTXFEEFZSA-N 0 0 190.286 2.869 10 0 AFAERN CCCC[C@@H]1NC(=O)C[C@H](C)[C@H]1CC 308369099 573364622 /nfs/dbraw/zinc/36/46/22/573364622.db2.gz ONACZNHEVPUCBO-AXFHLTTASA-N 0 0 197.322 2.727 10 0 AFAERN Cc1cccc([C@H]2CC[C@@H](O)[C@@H]2C)c1 83035696 573364644 /nfs/dbraw/zinc/36/46/44/573364644.db2.gz LXPYZDZEBGOUCL-KGYLQXTDSA-N 0 0 190.286 2.869 10 0 AFAERN OCCCC/C=C/c1ccccc1O 308368460 573364661 /nfs/dbraw/zinc/36/46/61/573364661.db2.gz NCFUEXHWVZZEHL-XVNBXDOJSA-N 0 0 192.258 2.568 10 0 AFAERN CCCC[C@H]1CC[C@@H](O)[C@@H]1C 83035300 573364733 /nfs/dbraw/zinc/36/47/33/573364733.db2.gz XIUQKFOTPZASTN-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN FC[C@@H](Nc1ccccc1)C1CC1 107126945 573364743 /nfs/dbraw/zinc/36/47/43/573364743.db2.gz RJTFEPWBANBJHX-LLVKDONJSA-N 0 0 179.238 2.847 10 0 AFAERN CC(C)c1nc2cccc(O)c2o1 107125760 573364782 /nfs/dbraw/zinc/36/47/82/573364782.db2.gz STXNKNNNRGDEDQ-UHFFFAOYSA-N 0 0 177.203 2.657 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1c1cccc(F)c1 83036852 573364886 /nfs/dbraw/zinc/36/48/86/573364886.db2.gz QRYRFYNIAVOXHJ-AXTRIDKLSA-N 0 0 194.249 2.700 10 0 AFAERN CON[C@@H](c1cccs1)C(C)C 133005711 573364894 /nfs/dbraw/zinc/36/48/94/573364894.db2.gz IGKLZZLZTDCMHL-SECBINFHSA-N 0 0 185.292 2.596 10 0 AFAERN C[C@H]1CCC(=O)[C@@H]1c1ccccc1 107124840 573364899 /nfs/dbraw/zinc/36/48/99/573364899.db2.gz MODWSJCNUNCNKR-CABZTGNLSA-N 0 0 174.243 2.769 10 0 AFAERN CC[C@H](CO)Cc1sccc1C 259427730 573364903 /nfs/dbraw/zinc/36/49/03/573364903.db2.gz PIJZHEJGENJNQS-VIFPVBQESA-N 0 0 184.304 2.618 10 0 AFAERN C[C@@H]1CCC(=O)[C@H]1c1ccccc1 107124842 573364915 /nfs/dbraw/zinc/36/49/15/573364915.db2.gz MODWSJCNUNCNKR-BXKDBHETSA-N 0 0 174.243 2.769 10 0 AFAERN CSC[C@@H]1CCNc2ccccc21 258318506 573364957 /nfs/dbraw/zinc/36/49/57/573364957.db2.gz XMSNMAGPGAYJHP-VIFPVBQESA-N 0 0 193.315 2.949 10 0 AFAERN CC[C@@H](O)c1cc(Cl)cs1 86333985 573365072 /nfs/dbraw/zinc/36/50/72/573365072.db2.gz AAGZLZFCAFWXPH-ZCFIWIBFSA-N 0 0 176.668 2.845 10 0 AFAERN CCC[C@H](C)C[C@H](NC)C(F)(F)F 126132172 573365102 /nfs/dbraw/zinc/36/51/02/573365102.db2.gz MBYBUTZCDAJDQB-YUMQZZPRSA-N 0 0 197.244 2.963 10 0 AFAERN CNc1noc2cccc(SC)c12 238361606 573365242 /nfs/dbraw/zinc/36/52/42/573365242.db2.gz PHKMTHJWWLPRCR-UHFFFAOYSA-N 0 0 194.259 2.591 10 0 AFAERN CNc1snc2cc(Cl)ccc12 238362313 573365298 /nfs/dbraw/zinc/36/52/98/573365298.db2.gz QRVRVPLQEFKHRD-UHFFFAOYSA-N 0 0 198.678 2.991 10 0 AFAERN O=Cc1occ2oc3ccccc3c12 107131514 573367599 /nfs/dbraw/zinc/36/75/99/573367599.db2.gz VWNPBBABIUSOKP-UHFFFAOYSA-N 0 0 186.166 2.992 10 0 AFAERN CCCc1c(N)noc1C(C)(C)C 86326192 573367600 /nfs/dbraw/zinc/36/76/00/573367600.db2.gz QZLLOKVZQSVHSQ-UHFFFAOYSA-N 0 0 182.267 2.507 10 0 AFAERN C/C(=C\c1cc(Cl)cs1)CO 86335055 573367686 /nfs/dbraw/zinc/36/76/86/573367686.db2.gz GZRQINTZOQJOMR-QHHAFSJGSA-N 0 0 188.679 2.797 10 0 AFAERN CCSCC[C@H](C(C)=O)C(C)C 129615494 573367733 /nfs/dbraw/zinc/36/77/33/573367733.db2.gz MVGQQDDYBRXMKS-JTQLQIEISA-N 0 0 188.336 2.991 10 0 AFAERN O[C@@H](c1cc(Cl)cs1)C1CC1 86333871 573367753 /nfs/dbraw/zinc/36/77/53/573367753.db2.gz PSPMSQYAPCMJAX-MRVPVSSYSA-N 0 0 188.679 2.845 10 0 AFAERN C[C@H]1[C@@H](O)CC[C@@H]1CC1CCCC1 83035414 573366778 /nfs/dbraw/zinc/36/67/78/573366778.db2.gz SYSVAFQCCXPCCL-JLLWLGSASA-N 0 0 182.307 2.974 10 0 AFAERN CCCC[C@@H]1CC[C@@H](O)[C@@H]1C 83035295 573366824 /nfs/dbraw/zinc/36/68/24/573366824.db2.gz XIUQKFOTPZASTN-OPRDCNLKSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1coc2ccc(C3(O)CC3)cc12 258008506 573366842 /nfs/dbraw/zinc/36/68/42/573366842.db2.gz HCPLCBNPDOCZFU-UHFFFAOYSA-N 0 0 188.226 2.723 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1c1cccs1 83036234 573366875 /nfs/dbraw/zinc/36/68/75/573366875.db2.gz XXGNVEMKJHOKKI-YIZRAAEISA-N 0 0 182.288 2.623 10 0 AFAERN CCON[C@H](CC)C[C@@H](C)CC 133054625 573366896 /nfs/dbraw/zinc/36/68/96/573366896.db2.gz ARKVAUMENLVDKS-VHSXEESVSA-N 0 0 173.300 2.742 10 0 AFAERN CCC(CC)c1ncc([C@H](C)[NH2+]C)[nH]1 308564272 573366902 /nfs/dbraw/zinc/36/69/02/573366902.db2.gz XRKMUGCLABHWII-QMMMGPOBSA-N 0 0 195.310 2.594 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1C1CCCC1 83036071 573367011 /nfs/dbraw/zinc/36/70/11/573367011.db2.gz CWRKUMHPZOAKNP-GDPRMGEGSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1C1CCCCC1 83035917 573367016 /nfs/dbraw/zinc/36/70/16/573367016.db2.gz WYQSBEIANXUDHX-WCQGTBRESA-N 0 0 182.307 2.974 10 0 AFAERN CCC(CC)c1ncc([C@@H](C)[NH2+]C)[nH]1 308564270 573367065 /nfs/dbraw/zinc/36/70/65/573367065.db2.gz XRKMUGCLABHWII-MRVPVSSYSA-N 0 0 195.310 2.594 10 0 AFAERN CC(C)[C@@H](C)[C@@H]1CCCC1=O 117795000 573367079 /nfs/dbraw/zinc/36/70/79/573367079.db2.gz RIXYJGHKYVBWMJ-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC(CCC)c1cc(N)on1 132945605 573367121 /nfs/dbraw/zinc/36/71/21/573367121.db2.gz QVKFLSBYRZKRTK-UHFFFAOYSA-N 0 0 182.267 2.941 10 0 AFAERN CCOC[C@@H]1Cc2ccccc2S1 86330105 573367133 /nfs/dbraw/zinc/36/71/33/573367133.db2.gz NPDZYQWVUFZLQX-JTQLQIEISA-N 0 0 194.299 2.740 10 0 AFAERN CSC[C@H]1CCNc2ccccc21 258318504 573367219 /nfs/dbraw/zinc/36/72/19/573367219.db2.gz XMSNMAGPGAYJHP-SECBINFHSA-N 0 0 193.315 2.949 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1CC1CCCC1 83035420 573367273 /nfs/dbraw/zinc/36/72/73/573367273.db2.gz SYSVAFQCCXPCCL-WCQGTBRESA-N 0 0 182.307 2.974 10 0 AFAERN CCC[C@@H](C)C[C@H](NC)C(F)(F)F 126131984 573367293 /nfs/dbraw/zinc/36/72/93/573367293.db2.gz MBYBUTZCDAJDQB-SFYZADRCSA-N 0 0 197.244 2.963 10 0 AFAERN CC/C=C\c1ccccc1O 117860713 573367373 /nfs/dbraw/zinc/36/73/73/573367373.db2.gz FHQBZLCAJCGWKV-UTCJRWHESA-N 0 0 148.205 2.815 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1Cc1ccsc1 83035779 573367381 /nfs/dbraw/zinc/36/73/81/573367381.db2.gz POMWJGLXKODOLK-LSJOCFKGSA-N 0 0 196.315 2.698 10 0 AFAERN CC1=C[C@H]2CCC(=O)C[C@@H]2CC1 214763394 573367406 /nfs/dbraw/zinc/36/74/06/573367406.db2.gz GWPJCGFOEAHHLI-ZJUUUORDSA-N 0 0 164.248 2.712 10 0 AFAERN O=Cc1cc(-c2ccccc2)sn1 107133936 573367417 /nfs/dbraw/zinc/36/74/17/573367417.db2.gz DBKPGVJUQYDZQH-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN COc1ccc2c(Cl)cccc2n1 238370629 573367436 /nfs/dbraw/zinc/36/74/36/573367436.db2.gz BOWGXUWIYJSGSP-UHFFFAOYSA-N 0 0 193.633 2.897 10 0 AFAERN C[C@H](CO)c1cnc(C2CCC2)s1 259428289 573367483 /nfs/dbraw/zinc/36/74/83/573367483.db2.gz YXZRJLDJMVWMDA-SSDOTTSWSA-N 0 0 197.303 2.506 10 0 AFAERN Cc1cc([C@@H](C)CO)c(C)cc1F 258008586 573367514 /nfs/dbraw/zinc/36/75/14/573367514.db2.gz HDJFNAMYHNVKML-VIFPVBQESA-N 0 0 182.238 2.538 10 0 AFAERN CCOC[C@@H]1CSc2ccccc21 86330113 573367539 /nfs/dbraw/zinc/36/75/39/573367539.db2.gz FUWFRKWNRFAPTB-SECBINFHSA-N 0 0 194.299 2.912 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1Cc1ccccc1 83036552 573367549 /nfs/dbraw/zinc/36/75/49/573367549.db2.gz PSXMSILNKMGFHA-DRZSPHRISA-N 0 0 190.286 2.636 10 0 AFAERN CCCC(CCC)c1[nH]nc(N)c1C 132939415 573367564 /nfs/dbraw/zinc/36/75/64/573367564.db2.gz QZLGQLUHMCOKKW-UHFFFAOYSA-N 0 0 195.310 2.984 10 0 AFAERN OCCc1c(Cl)ccc2occc12 258008404 573367567 /nfs/dbraw/zinc/36/75/67/573367567.db2.gz HBZVXBSVQDJWIM-UHFFFAOYSA-N 0 0 196.633 2.621 10 0 AFAERN CCC(=O)c1cc2cnccc2s1 117766925 573367673 /nfs/dbraw/zinc/36/76/73/573367673.db2.gz LWUHTHGAEIIYDK-UHFFFAOYSA-N 0 0 191.255 2.889 10 0 AFAERN CCCc1c(N)noc1C1CCCC1 86326215 573367609 /nfs/dbraw/zinc/36/76/09/573367609.db2.gz UDDZAFDZBKSUSU-UHFFFAOYSA-N 0 0 194.278 2.867 10 0 AFAERN CCCCc1nc(C)c([C@@H](C)O)s1 86323440 573367864 /nfs/dbraw/zinc/36/78/64/573367864.db2.gz XKPUOOVZRBNDLX-MRVPVSSYSA-N 0 0 199.319 2.847 10 0 AFAERN COc1ccc(C)cc1NC(C)=S 238369906 573367946 /nfs/dbraw/zinc/36/79/46/573367946.db2.gz CWJOIZZNFLRDKI-UHFFFAOYSA-N 0 0 195.287 2.763 10 0 AFAERN CC[C@@H](C)[C@@H](C)NOCC(C)C 133115071 573367951 /nfs/dbraw/zinc/36/79/51/573367951.db2.gz SLYZELWENUFZAL-NXEZZACHSA-N 0 0 173.300 2.598 10 0 AFAERN CC1=C[C@@H]2CCC(=O)C[C@@H]2CC1 214763345 573367996 /nfs/dbraw/zinc/36/79/96/573367996.db2.gz GWPJCGFOEAHHLI-UWVGGRQHSA-N 0 0 164.248 2.712 10 0 AFAERN COC[C@@H]1CSc2ccccc21 86330097 573368002 /nfs/dbraw/zinc/36/80/02/573368002.db2.gz YFOSCFYBMVAXPL-MRVPVSSYSA-N 0 0 180.272 2.522 10 0 AFAERN CC(=O)c1c(O)ccc2sccc12 107135697 573368015 /nfs/dbraw/zinc/36/80/15/573368015.db2.gz HATCAZNKYDJEPH-UHFFFAOYSA-N 0 0 192.239 2.810 10 0 AFAERN CCCCCC[C@H](C)NOCC 133059913 573368135 /nfs/dbraw/zinc/36/81/35/573368135.db2.gz MZLCSOATYXLQMM-JTQLQIEISA-N 0 0 173.300 2.886 10 0 AFAERN CCOC(=N)c1cc(Cl)cs1 86334349 573368189 /nfs/dbraw/zinc/36/81/89/573368189.db2.gz HOBZFXHOLBIQDC-UHFFFAOYSA-N 0 0 189.667 2.763 10 0 AFAERN COc1cc(C)c(O)c(Cl)c1C 238370064 573369053 /nfs/dbraw/zinc/36/90/53/573369053.db2.gz ZWANXDFJXJPMEU-UHFFFAOYSA-N 0 0 186.638 2.671 10 0 AFAERN CSCCCC(=O)CC(C)C 129620306 573371583 /nfs/dbraw/zinc/37/15/83/573371583.db2.gz NBGRFOTVXPRCQZ-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CCOc1ccc(C)cc1C(C)(C)O 258016576 573371634 /nfs/dbraw/zinc/37/16/34/573371634.db2.gz HTCQQPUNUZBMNX-UHFFFAOYSA-N 0 0 194.274 2.621 10 0 AFAERN CC(=O)c1ccc2ccnc(C)c2c1 258014214 573371652 /nfs/dbraw/zinc/37/16/52/573371652.db2.gz HQRVSBGAEXMEGS-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN C[C@@H]1C[C@@]1(C)/C=C\C(=O)OC(C)(C)C 714682611 573371685 /nfs/dbraw/zinc/37/16/85/573371685.db2.gz YFBUGBSAXLTRSB-VTHORBTBSA-N 0 0 196.290 2.930 10 0 AFAERN CN[C@@H](CF)c1ccccc1Cl 107133218 573371720 /nfs/dbraw/zinc/37/17/20/573371720.db2.gz MKJLQZQVDPTODW-VIFPVBQESA-N 0 0 187.645 2.570 10 0 AFAERN CCCC(CCC)c1n[nH]c(C)n1 132950106 573371734 /nfs/dbraw/zinc/37/17/34/573371734.db2.gz ORZMYDQLFFRNNQ-UHFFFAOYSA-N 0 0 181.283 2.797 10 0 AFAERN CCSCC[C@@H](C)C(=O)CC 129618444 573371823 /nfs/dbraw/zinc/37/18/23/573371823.db2.gz KMECAXCWFQCHLW-MRVPVSSYSA-N 0 0 174.309 2.745 10 0 AFAERN CSCC[C@H](C(C)=O)C(C)C 129616622 573371841 /nfs/dbraw/zinc/37/18/41/573371841.db2.gz QZOCONTWZGKWMW-VIFPVBQESA-N 0 0 174.309 2.601 10 0 AFAERN COc1c(F)cccc1OC(C)C 117835462 573371849 /nfs/dbraw/zinc/37/18/49/573371849.db2.gz MEDGEHFFBJPAOQ-UHFFFAOYSA-N 0 0 184.210 2.622 10 0 AFAERN CC(C)/C(=C\[C@@]1(C)CC1(C)C)CO 642831350 573371950 /nfs/dbraw/zinc/37/19/50/573371950.db2.gz DYVYGHANYDYAER-GYGFLDJKSA-N 0 0 182.307 2.997 10 0 AFAERN CC(C)[C@@H](C)[C@H]1CCCC1=O 117795005 573371959 /nfs/dbraw/zinc/37/19/59/573371959.db2.gz RIXYJGHKYVBWMJ-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN CSCc1c[nH]c2cc(O)ccc12 258016249 573372033 /nfs/dbraw/zinc/37/20/33/573372033.db2.gz LYSBVLHHROQCDP-UHFFFAOYSA-N 0 0 193.271 2.737 10 0 AFAERN CN[C@H](CF)c1ccccc1Cl 107133221 573372118 /nfs/dbraw/zinc/37/21/18/573372118.db2.gz MKJLQZQVDPTODW-SECBINFHSA-N 0 0 187.645 2.570 10 0 AFAERN CSCC[C@@H](C(C)=O)C(C)C 129616365 573372137 /nfs/dbraw/zinc/37/21/37/573372137.db2.gz QZOCONTWZGKWMW-SECBINFHSA-N 0 0 174.309 2.601 10 0 AFAERN C[C@@H]1CC[C@H](NCC(F)(F)F)[C@@H]1C 83043988 573372282 /nfs/dbraw/zinc/37/22/82/573372282.db2.gz FSVXRAPFEDIBOJ-PRJMDXOYSA-N 0 0 195.228 2.573 10 0 AFAERN F[C@@H](c1ccnc(Cl)n1)C1CC1 117776226 573372296 /nfs/dbraw/zinc/37/22/96/573372296.db2.gz IXHUHIOXTCIMTK-SSDOTTSWSA-N 0 0 186.617 2.551 10 0 AFAERN CCC(=O)[C@@H](C)CCCSC 129618645 573372325 /nfs/dbraw/zinc/37/23/25/573372325.db2.gz CNBBJHPCTNJMPH-QMMMGPOBSA-N 0 0 174.309 2.745 10 0 AFAERN Cc1cc(C)c([C@H](C)[C@H](C)O)c(F)c1 235574744 573372393 /nfs/dbraw/zinc/37/23/93/573372393.db2.gz SLJBMQCXXBWAKG-ZJUUUORDSA-N 0 0 196.265 2.927 10 0 AFAERN COc1ccc2c(N)cccc2c1C 238371317 573372459 /nfs/dbraw/zinc/37/24/59/573372459.db2.gz JISMGQQDYWFKFV-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN C[C@@H](CO)c1cnc(C2CCC2)s1 259428294 573372526 /nfs/dbraw/zinc/37/25/26/573372526.db2.gz YXZRJLDJMVWMDA-ZETCQYMHSA-N 0 0 197.303 2.506 10 0 AFAERN CCCCn1cc(N)c([C@@H](C)CC)n1 308564986 573372600 /nfs/dbraw/zinc/37/26/00/573372600.db2.gz XWQCBMZRFWJUEL-VIFPVBQESA-N 0 0 195.310 2.779 10 0 AFAERN Cc1cccc2c1[C@@H]([C@@H](C)O)CS2 258324826 573372607 /nfs/dbraw/zinc/37/26/07/573372607.db2.gz WQUHQCSAUHSCLQ-RKDXNWHRSA-N 0 0 194.299 2.565 10 0 AFAERN COc1ccc(-c2ccoc2N)cc1 258015977 573372629 /nfs/dbraw/zinc/37/26/29/573372629.db2.gz BHHCLSXWXLDWQX-UHFFFAOYSA-N 0 0 189.214 2.537 10 0 AFAERN C[C@@H](F)c1cccc([C@@H](C)CO)c1 258014143 573372746 /nfs/dbraw/zinc/37/27/46/573372746.db2.gz HPZUKPCLDIDUMZ-DTWKUNHWSA-N 0 0 182.238 2.813 10 0 AFAERN CCSCC[C@@H](C(C)=O)C(C)C 129615694 573372854 /nfs/dbraw/zinc/37/28/54/573372854.db2.gz MVGQQDDYBRXMKS-SNVBAGLBSA-N 0 0 188.336 2.991 10 0 AFAERN CC1(C)C[C@@H]1c1ccc(O)cc1 258015848 573372856 /nfs/dbraw/zinc/37/28/56/573372856.db2.gz NNJVMMAAFJKSMI-SNVBAGLBSA-N 0 0 162.232 2.906 10 0 AFAERN Brc1ccnc2ccoc12 107141086 573373034 /nfs/dbraw/zinc/37/30/34/573373034.db2.gz QTAIEEAAGURXFB-UHFFFAOYSA-N 0 0 198.019 2.590 10 0 AFAERN Cc1cccc2c1[C@@H]([C@H](C)O)CS2 258324822 573373053 /nfs/dbraw/zinc/37/30/53/573373053.db2.gz WQUHQCSAUHSCLQ-DTWKUNHWSA-N 0 0 194.299 2.565 10 0 AFAERN C/C=C\CCNc1cc(C)ccc1N 308376226 573373595 /nfs/dbraw/zinc/37/35/95/573373595.db2.gz MEXAKMXGBTUYGI-ARJAWSKDSA-N 0 0 190.290 2.955 10 0 AFAERN C[C@H](F)c1cccc([C@H](C)CO)c1 258014137 573373598 /nfs/dbraw/zinc/37/35/98/573373598.db2.gz HPZUKPCLDIDUMZ-BDAKNGLRSA-N 0 0 182.238 2.813 10 0 AFAERN C1=C[C@H](OCc2ccccc2)CS1 258014446 573373706 /nfs/dbraw/zinc/37/37/06/573373706.db2.gz NJBQTUVKXPBFRU-NSHDSACASA-N 0 0 192.283 2.832 10 0 AFAERN C[C@@H]1CC[C@H](Nc2nccs2)[C@@H]1C 83045550 573373718 /nfs/dbraw/zinc/37/37/18/573373718.db2.gz RJVFQGBYBVYJMU-HLTSFMKQSA-N 0 0 196.319 2.990 10 0 AFAERN CCON[C@H](C)c1ccc(C)s1 133068214 573373733 /nfs/dbraw/zinc/37/37/33/573373733.db2.gz OBOZVXFLSINLQF-MRVPVSSYSA-N 0 0 185.292 2.659 10 0 AFAERN CC(=O)CC[C@@H]1Cc2ccccc21 86352463 573373809 /nfs/dbraw/zinc/37/38/09/573373809.db2.gz WJAPAMUJDDDISF-LLVKDONJSA-N 0 0 174.243 2.696 10 0 AFAERN C[C@H]1CCCc2ccc(CCO)cc21 258016565 573374065 /nfs/dbraw/zinc/37/40/65/573374065.db2.gz HTBBGJGBFGSDEO-JTQLQIEISA-N 0 0 190.286 2.661 10 0 AFAERN COc1ccc2c(O)cccc2c1C 238372123 573373840 /nfs/dbraw/zinc/37/38/40/573373840.db2.gz KGZPILMTAUXLNW-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN Nc1cnsc1-c1ccccc1F 107137290 573373933 /nfs/dbraw/zinc/37/39/33/573373933.db2.gz VPSLHGFKJAYKNI-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CCc1cc([C@@H](C)O)c(C)cc1F 258013959 573374021 /nfs/dbraw/zinc/37/40/21/573374021.db2.gz HOTQVNNNEWZGFK-MRVPVSSYSA-N 0 0 182.238 2.750 10 0 AFAERN COc1ccc(NC(=O)SC)cc1 238371343 573374023 /nfs/dbraw/zinc/37/40/23/573374023.db2.gz DGLAYUTXZCQULM-UHFFFAOYSA-N 0 0 197.259 2.590 10 0 AFAERN c1ccc(CCOc2cccnc2)cc1 126141336 573374591 /nfs/dbraw/zinc/37/45/91/573374591.db2.gz HRKVDNCHZDHAGZ-UHFFFAOYSA-N 0 0 199.253 2.703 10 0 AFAERN COc1c(C)sc2cc[nH]c12 238371629 573374629 /nfs/dbraw/zinc/37/46/29/573374629.db2.gz DQMDQYUACFDCPV-UHFFFAOYSA-N 0 0 167.233 2.546 10 0 AFAERN C[C@H](CO)c1cccc([C@@H](C)F)c1 258014152 573374710 /nfs/dbraw/zinc/37/47/10/573374710.db2.gz HPZUKPCLDIDUMZ-RKDXNWHRSA-N 0 0 182.238 2.813 10 0 AFAERN CCON[C@@H](C)c1ccc(C)s1 133067987 573375053 /nfs/dbraw/zinc/37/50/53/573375053.db2.gz OBOZVXFLSINLQF-QMMMGPOBSA-N 0 0 185.292 2.659 10 0 AFAERN C[C@@H]1CC[C@@H](Nc2nccs2)[C@@H]1C 83045558 573375079 /nfs/dbraw/zinc/37/50/79/573375079.db2.gz RJVFQGBYBVYJMU-IWSPIJDZSA-N 0 0 196.319 2.990 10 0 AFAERN CC/C=C/C(=O)OC[C@H](C)C1CC1 308375051 573375103 /nfs/dbraw/zinc/37/51/03/573375103.db2.gz RSYZKRHIPYVEMG-MOVJSRMASA-N 0 0 182.263 2.542 10 0 AFAERN COc1ccc(NCC(C)(C)F)cc1 107140438 573375106 /nfs/dbraw/zinc/37/51/06/573375106.db2.gz WNKZWPDVLYXZKM-UHFFFAOYSA-N 0 0 197.253 2.855 10 0 AFAERN C[C@@H]1CC[C@H](Nc2ccccn2)[C@@H]1C 83045413 573376227 /nfs/dbraw/zinc/37/62/27/573376227.db2.gz YAYIDWAEPLJHSZ-MXWKQRLJSA-N 0 0 190.290 2.928 10 0 AFAERN C[C@@H]1CC[C@@H](n2cnnc2Cl)[C@@H]1C 83046669 573375248 /nfs/dbraw/zinc/37/52/48/573375248.db2.gz HPDNHDIPECHFRH-BWZBUEFSSA-N 0 0 199.685 2.539 10 0 AFAERN COc1cccc(NCC(C)(C)F)c1 107140435 573375315 /nfs/dbraw/zinc/37/53/15/573375315.db2.gz YPKVDTHQWFVFDU-UHFFFAOYSA-N 0 0 197.253 2.855 10 0 AFAERN CO[C@@H](C)c1cc(Cl)ccc1O 238371559 573375328 /nfs/dbraw/zinc/37/53/28/573375328.db2.gz KSOQGVKVUIYPQV-LURJTMIESA-N 0 0 186.638 2.753 10 0 AFAERN COc1c(C)ncc(C)c1C(F)F 238370853 573375347 /nfs/dbraw/zinc/37/53/47/573375347.db2.gz RZFYYSOVXMXMOL-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN C/C=C\CCNc1ccc(N)c(C)c1 308374602 573375357 /nfs/dbraw/zinc/37/53/57/573375357.db2.gz JDWQLEYCAZMHSA-ARJAWSKDSA-N 0 0 190.290 2.955 10 0 AFAERN Cc1ccc(C2CC2)c(O)c1C 117885213 573375491 /nfs/dbraw/zinc/37/54/91/573375491.db2.gz FXAVCICQSMRCLF-UHFFFAOYSA-N 0 0 162.232 2.886 10 0 AFAERN Nc1c(Cl)noc1-c1ccccc1 107137906 573375584 /nfs/dbraw/zinc/37/55/84/573375584.db2.gz WAMRVZWODIWUGX-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN C[C@@H](CCO)c1ccc2[nH]ccc2c1 238370826 573375676 /nfs/dbraw/zinc/37/56/76/573375676.db2.gz VZLULJPILZKEJY-VIFPVBQESA-N 0 0 189.258 2.654 10 0 AFAERN C[C@@H]1CC[C@@H](Nc2ccccn2)[C@@H]1C 83045421 573375744 /nfs/dbraw/zinc/37/57/44/573375744.db2.gz YAYIDWAEPLJHSZ-GMTAPVOTSA-N 0 0 190.290 2.928 10 0 AFAERN C[C@@H]1CC[C@H](n2cn[nH]c2=S)[C@@H]1C 83045694 573375754 /nfs/dbraw/zinc/37/57/54/573375754.db2.gz OREJWMGOVBKRIH-PRJMDXOYSA-N 0 0 197.307 2.548 10 0 AFAERN COc1nc(C)cc(C(F)F)c1C 238371030 573375755 /nfs/dbraw/zinc/37/57/55/573375755.db2.gz NZXRMUHYCWBKSD-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN CC[C@H](C)[C@@H](CC1(CC)CCC1)NN 308565831 573375765 /nfs/dbraw/zinc/37/57/65/573375765.db2.gz HQYVYAMCFLOCTM-WDEREUQCSA-N 0 0 198.354 2.835 10 0 AFAERN COc1ccccc1NCC(C)(C)F 107140443 573375853 /nfs/dbraw/zinc/37/58/53/573375853.db2.gz IDRZRYTZEQRFBA-UHFFFAOYSA-N 0 0 197.253 2.855 10 0 AFAERN CSc1c(C)cc(C)cc1O 117890853 573375934 /nfs/dbraw/zinc/37/59/34/573375934.db2.gz DGLPDVONIWDUPH-UHFFFAOYSA-N 0 0 168.261 2.731 10 0 AFAERN CCC[C@@H]([NH2+]C)c1occc1C 133144475 573375935 /nfs/dbraw/zinc/37/59/35/573375935.db2.gz JODPIHRSVJILPT-SECBINFHSA-N 0 0 167.252 2.649 10 0 AFAERN COc1c(C)c(C)cc(C)c1[C@@H](C)O 117872604 573375962 /nfs/dbraw/zinc/37/59/62/573375962.db2.gz GHVWGSMGYVDWGR-SNVBAGLBSA-N 0 0 194.274 2.674 10 0 AFAERN O=Cc1ccc([C@@H]2C[C@H]2C(F)F)cc1 258018951 573376088 /nfs/dbraw/zinc/37/60/88/573376088.db2.gz HTYUBKMURAKWSW-VHSXEESVSA-N 0 0 196.196 2.868 10 0 AFAERN C[C@@H]1CC[C@H](n2cccc2C=O)[C@@H]1C 83046269 573376099 /nfs/dbraw/zinc/37/60/99/573376099.db2.gz KFBBGUYNBNBRNM-FOGDFJRCSA-N 0 0 191.274 2.908 10 0 AFAERN C[C@@H]1CC[C@@H](n2cccc2C=O)[C@@H]1C 83046273 573376109 /nfs/dbraw/zinc/37/61/09/573376109.db2.gz KFBBGUYNBNBRNM-CKYFFXLPSA-N 0 0 191.274 2.908 10 0 AFAERN C/C=C\[C@@H]1CCCC2=C1CCC(=O)N2 308375950 573377564 /nfs/dbraw/zinc/37/75/64/573377564.db2.gz ZBQDTSIEPRSZTB-FIFYQCSRSA-N 0 0 191.274 2.527 10 0 AFAERN CC(=O)C[C@@H]1CCC[C@@H](C)C1 86352506 573376185 /nfs/dbraw/zinc/37/61/85/573376185.db2.gz AISWNCIZOFFQGZ-PSASIEDQSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(C)c(O)c(C2CC2)c1 117876711 573376187 /nfs/dbraw/zinc/37/61/87/573376187.db2.gz AYIBROWOQUXFKG-UHFFFAOYSA-N 0 0 162.232 2.886 10 0 AFAERN COc1nc(C)cc(C)c1C(F)F 238371524 573376209 /nfs/dbraw/zinc/37/62/09/573376209.db2.gz VMVIWFNMVWSTAR-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN Fc1cc(F)c2c(c1)[C@H](C1CC1)CN2 236195904 573376212 /nfs/dbraw/zinc/37/62/12/573376212.db2.gz VKJGWLDSQMIAGX-VIFPVBQESA-N 0 0 195.212 2.884 10 0 AFAERN Cc1cc2c(cc1F)N[C@@H](C)CCN2 107137462 573376275 /nfs/dbraw/zinc/37/62/75/573376275.db2.gz NBKZIIAXUPUPFH-QMMMGPOBSA-N 0 0 194.253 2.750 10 0 AFAERN CCC(=O)[C@H](C)C[C@@H]1CCC[C@H](O)C1 308565220 573376404 /nfs/dbraw/zinc/37/64/04/573376404.db2.gz HKORNDZDASNANB-VWYCJHECSA-N 0 0 198.306 2.543 10 0 AFAERN CC(=O)C[C@H]1CCC[C@@H](C)C1 86352503 573376412 /nfs/dbraw/zinc/37/64/12/573376412.db2.gz AISWNCIZOFFQGZ-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)c1cc(CO)c(F)cc1F 258016875 573376417 /nfs/dbraw/zinc/37/64/17/573376417.db2.gz HWTPHAJSCKSHJB-UHFFFAOYSA-N 0 0 186.201 2.581 10 0 AFAERN CCC(=O)[C@H](C)C[C@H]1CCC[C@H](O)C1 308565218 573376423 /nfs/dbraw/zinc/37/64/23/573376423.db2.gz HKORNDZDASNANB-MXWKQRLJSA-N 0 0 198.306 2.543 10 0 AFAERN Fc1cc(F)c2c(c1)[C@@H](C1CC1)CN2 236197240 573376452 /nfs/dbraw/zinc/37/64/52/573376452.db2.gz VKJGWLDSQMIAGX-SECBINFHSA-N 0 0 195.212 2.884 10 0 AFAERN CC1(C)CCCNc2cc(N)ccc21 117917824 573376464 /nfs/dbraw/zinc/37/64/64/573376464.db2.gz UEUQKVMGUZAPMC-UHFFFAOYSA-N 0 0 190.290 2.752 10 0 AFAERN CCCc1c(C)cc(C)cc1O 117876396 573376475 /nfs/dbraw/zinc/37/64/75/573376475.db2.gz FFEBZYTUVUAZHA-UHFFFAOYSA-N 0 0 164.248 2.962 10 0 AFAERN CC/C=C\C(=O)OC[C@@H](C)C1CC1 308375054 573376481 /nfs/dbraw/zinc/37/64/81/573376481.db2.gz RSYZKRHIPYVEMG-XRVBUDJMSA-N 0 0 182.263 2.542 10 0 AFAERN CC1(C)CCCCC=C1CO 224075105 573376510 /nfs/dbraw/zinc/37/65/10/573376510.db2.gz GJOQUFCIJYNGHK-UHFFFAOYSA-N 0 0 154.253 2.505 10 0 AFAERN CC(C)=CC[C@H](C)C(C)(C)O 117884331 573376555 /nfs/dbraw/zinc/37/65/55/573376555.db2.gz DVTJMVRXNHDDLO-VIFPVBQESA-N 0 0 156.269 2.750 10 0 AFAERN CCCCCNc1ccnc(OC)c1 133163456 573376657 /nfs/dbraw/zinc/37/66/57/573376657.db2.gz MEZRSICQEUVZAH-UHFFFAOYSA-N 0 0 194.278 2.692 10 0 AFAERN CC(C)(C)C(=O)CCc1cscn1 86352725 573376697 /nfs/dbraw/zinc/37/66/97/573376697.db2.gz NKVOPKBUDHTFJB-UHFFFAOYSA-N 0 0 197.303 2.691 10 0 AFAERN CCC[C@H](C)OC(=O)C(F)=C(C)C 308376189 573376700 /nfs/dbraw/zinc/37/67/00/573376700.db2.gz SINNMBKDLURWDA-QMMMGPOBSA-N 0 0 188.242 2.982 10 0 AFAERN CC(=O)c1c(C)cc(C)c(C)c1O 117874961 573376843 /nfs/dbraw/zinc/37/68/43/573376843.db2.gz APXCHFKQUNFKKS-UHFFFAOYSA-N 0 0 178.231 2.520 10 0 AFAERN COc1c(C)c(C)cc(C)c1[C@H](C)O 117872606 573377006 /nfs/dbraw/zinc/37/70/06/573377006.db2.gz GHVWGSMGYVDWGR-JTQLQIEISA-N 0 0 194.274 2.674 10 0 AFAERN COc1ccc(Cc2cc[nH]c2)cc1 238373791 573377068 /nfs/dbraw/zinc/37/70/68/573377068.db2.gz CJJHXOQAQDYOKG-UHFFFAOYSA-N 0 0 187.242 2.614 10 0 AFAERN Nc1ccccc1CC1CCC1 258641333 573377084 /nfs/dbraw/zinc/37/70/84/573377084.db2.gz YUYMONUKHLJDAE-UHFFFAOYSA-N 0 0 161.248 2.611 10 0 AFAERN c1cc2c(ccc3c[nH]nc32)s1 117883896 573377131 /nfs/dbraw/zinc/37/71/31/573377131.db2.gz VSOXSBKNAHNHNR-UHFFFAOYSA-N 0 0 174.228 2.778 10 0 AFAERN CC(=O)CC[C@H]1Cc2ccccc21 86352465 573377869 /nfs/dbraw/zinc/37/78/69/573377869.db2.gz WJAPAMUJDDDISF-NSHDSACASA-N 0 0 174.243 2.696 10 0 AFAERN c1ccc2c(c1)CCC1(CCC1)O2 117964742 573377181 /nfs/dbraw/zinc/37/71/81/573377181.db2.gz QBDKYBYELHDDDG-UHFFFAOYSA-N 0 0 174.243 2.934 10 0 AFAERN Cc1ccc2[nH]c(C(C)(C)O)cc2c1 258331756 573377201 /nfs/dbraw/zinc/37/72/01/573377201.db2.gz XGEOZHNODYPPAK-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C)[C@@H]1C 83046619 573377406 /nfs/dbraw/zinc/37/74/06/573377406.db2.gz QZXRWXOHEKMZCP-OPRDCNLKSA-N 0 0 197.322 2.583 10 0 AFAERN CC/C=C/C(=O)OC[C@@H](C)C1CC1 308375053 573377445 /nfs/dbraw/zinc/37/74/45/573377445.db2.gz RSYZKRHIPYVEMG-XNPJLODASA-N 0 0 182.263 2.542 10 0 AFAERN C/C(=C/c1ccccc1)CCCO 78043180 573378526 /nfs/dbraw/zinc/37/85/26/573378526.db2.gz PQIXBPOCFYPSER-KHPPLWFESA-N 0 0 176.259 2.862 10 0 AFAERN CC[C@@H]1CC[C@@H](NC(=O)C(C)C)[C@@H]1C 83050505 573377671 /nfs/dbraw/zinc/37/76/71/573377671.db2.gz MXGYWSGQGQHFGU-GMTAPVOTSA-N 0 0 197.322 2.583 10 0 AFAERN O=Cc1ccc([C@@H]2C[C@@H]2C(F)F)cc1 258018948 573377906 /nfs/dbraw/zinc/37/79/06/573377906.db2.gz HTYUBKMURAKWSW-UWVGGRQHSA-N 0 0 196.196 2.868 10 0 AFAERN Cc1ccnc(Nc2nccs2)c1 117932179 573377953 /nfs/dbraw/zinc/37/79/53/573377953.db2.gz UTEGRGAXVZWJHL-UHFFFAOYSA-N 0 0 191.259 2.590 10 0 AFAERN CCC(=O)[C@H](C)C[C@H]1CCC[C@@H](O)C1 308565217 573377992 /nfs/dbraw/zinc/37/79/92/573377992.db2.gz HKORNDZDASNANB-GMTAPVOTSA-N 0 0 198.306 2.543 10 0 AFAERN COc1cnc2[nH]cc(C(C)C)c2c1 238373529 573378003 /nfs/dbraw/zinc/37/80/03/573378003.db2.gz DEPPHUNPHDOLQL-UHFFFAOYSA-N 0 0 190.246 2.695 10 0 AFAERN Cc1ccc(C)c(C2CC2)c1O 117872252 573378019 /nfs/dbraw/zinc/37/80/19/573378019.db2.gz VKBQRGYJNFJJPN-UHFFFAOYSA-N 0 0 162.232 2.886 10 0 AFAERN COc1ccc2cc(C)ccc2c1N 238373714 573378072 /nfs/dbraw/zinc/37/80/72/573378072.db2.gz QQVOIJSFLZBBMR-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN O=Cc1ccc([C@H]2C[C@@H]2C(F)F)cc1 258018953 573378093 /nfs/dbraw/zinc/37/80/93/573378093.db2.gz HTYUBKMURAKWSW-ZJUUUORDSA-N 0 0 196.196 2.868 10 0 AFAERN CCC[C@@H](C)Nc1ccnc(OC)c1 133162618 573378102 /nfs/dbraw/zinc/37/81/02/573378102.db2.gz GKMWVFBEUVOWSJ-SECBINFHSA-N 0 0 194.278 2.691 10 0 AFAERN C[C@@H]1CC[C@@H](n2cn[nH]c2=S)[C@@H]1C 83045698 573378138 /nfs/dbraw/zinc/37/81/38/573378138.db2.gz OREJWMGOVBKRIH-BWZBUEFSSA-N 0 0 197.307 2.548 10 0 AFAERN C[C@@H]1CC[C@H](NC(=O)C(C)(C)C)[C@@H]1C 83046616 573378223 /nfs/dbraw/zinc/37/82/23/573378223.db2.gz QZXRWXOHEKMZCP-BBBLOLIVSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)(C)C(=O)C[C@H]1CCCC[C@H]1O 86352815 573378254 /nfs/dbraw/zinc/37/82/54/573378254.db2.gz MSIOFXYGXPSBQQ-NXEZZACHSA-N 0 0 198.306 2.543 10 0 AFAERN O=Cc1ccc([C@H]2C[C@H]2C(F)F)cc1 258018946 573378316 /nfs/dbraw/zinc/37/83/16/573378316.db2.gz HTYUBKMURAKWSW-NXEZZACHSA-N 0 0 196.196 2.868 10 0 AFAERN CCc1ccc2c(c1)CCCC(=O)N2 117905244 573378371 /nfs/dbraw/zinc/37/83/71/573378371.db2.gz OGQXXCMBJWLSNL-UHFFFAOYSA-N 0 0 189.258 2.524 10 0 AFAERN CC(C)(C)C(=O)CCC(F)F 86352820 573378501 /nfs/dbraw/zinc/37/85/01/573378501.db2.gz ZKNBXUHSOOSXGH-UHFFFAOYSA-N 0 0 164.195 2.647 10 0 AFAERN Cc1cc(C(F)(F)F)cnc1C 117985407 573380430 /nfs/dbraw/zinc/38/04/30/573380430.db2.gz HIENLCNPCHJNDF-UHFFFAOYSA-N 0 0 175.153 2.717 10 0 AFAERN CC[C@@](O)(c1ccccc1)C1CC1 83058322 573380502 /nfs/dbraw/zinc/38/05/02/573380502.db2.gz WKCHRTNRQQACLM-GFCCVEGCSA-N 0 0 176.259 2.694 10 0 AFAERN COc1c(C=O)cc(C)cc1C(C)C 238372438 573380597 /nfs/dbraw/zinc/38/05/97/573380597.db2.gz ZLQKVVUVVOWKNO-UHFFFAOYSA-N 0 0 192.258 2.940 10 0 AFAERN CC[C@@H](Nc1cccc(O)c1)C1CC1 83054678 573380511 /nfs/dbraw/zinc/38/05/11/573380511.db2.gz YHFXAZAFJVCNCW-GFCCVEGCSA-N 0 0 191.274 2.993 10 0 AFAERN O=Cc1ncccc1C1CCCCC1 117980822 573380515 /nfs/dbraw/zinc/38/05/15/573380515.db2.gz PDJKGQQFCYQDHT-UHFFFAOYSA-N 0 0 189.258 2.942 10 0 AFAERN O=C1c2ccccc2C[C@H]1CC(F)F 86354436 573380281 /nfs/dbraw/zinc/38/02/81/573380281.db2.gz LCFXMPWUGUKEDJ-QMMMGPOBSA-N 0 0 196.196 2.697 10 0 AFAERN CC(=O)[C@H](C)CCC(F)(F)F 86353370 573380300 /nfs/dbraw/zinc/38/03/00/573380300.db2.gz CFDRYQUPJRLYCN-RXMQYKEDSA-N 0 0 168.158 2.554 10 0 AFAERN CCC(=O)CCC1CCC1 86352893 573380306 /nfs/dbraw/zinc/38/03/06/573380306.db2.gz MJMMHCAPQKWFSC-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN O=Cc1ncccc1-c1cccs1 117980878 573380389 /nfs/dbraw/zinc/38/03/89/573380389.db2.gz XJWGCQUCNYCUSA-UHFFFAOYSA-N 0 0 189.239 2.623 10 0 AFAERN CC[C@@](O)(c1ccccc1F)C1CC1 83058689 573380400 /nfs/dbraw/zinc/38/04/00/573380400.db2.gz QKUWXWLASKRAPM-LBPRGKRZSA-N 0 0 194.249 2.833 10 0 AFAERN O=C1CCCCC[C@H]1CC1CC1 86354628 573380485 /nfs/dbraw/zinc/38/04/85/573380485.db2.gz XPQCLZOSBBSBCI-JTQLQIEISA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)C(=O)C[C@@H]1CCCCC[C@H]1O 86353077 573380487 /nfs/dbraw/zinc/38/04/87/573380487.db2.gz JXBFNJSWSRODGT-WDEREUQCSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](Nc1c(C)n[nH]c1C)C1CC1 83054965 573381350 /nfs/dbraw/zinc/38/13/50/573381350.db2.gz CFUBQFWTTUAHTJ-JTQLQIEISA-N 0 0 193.294 2.627 10 0 AFAERN C/C(=C\c1ccccc1)CCCO 78043178 573381435 /nfs/dbraw/zinc/38/14/35/573381435.db2.gz PQIXBPOCFYPSER-ZHACJKMWSA-N 0 0 176.259 2.862 10 0 AFAERN CC(=O)[C@@H](C)C[C@@H]1Cc2ccccc21 86353390 573381441 /nfs/dbraw/zinc/38/14/41/573381441.db2.gz RYQITERCCJEIER-JOYOIKCWSA-N 0 0 188.270 2.942 10 0 AFAERN CCCOC(=O)Cc1ccsc1C 308378173 573381487 /nfs/dbraw/zinc/38/14/87/573381487.db2.gz TVMYWIBRZVSBIQ-UHFFFAOYSA-N 0 0 198.287 2.552 10 0 AFAERN COc1cc(C)cc(CSC)c1O 238374685 573381503 /nfs/dbraw/zinc/38/15/03/573381503.db2.gz IEFWJXGWTVFIHZ-UHFFFAOYSA-N 0 0 198.287 2.572 10 0 AFAERN CC[C@H](Nc1cccc(O)c1)C1CC1 83054676 573381505 /nfs/dbraw/zinc/38/15/05/573381505.db2.gz YHFXAZAFJVCNCW-LBPRGKRZSA-N 0 0 191.274 2.993 10 0 AFAERN O=C1CCCCC[C@@H]1CC1CC1 86354626 573381547 /nfs/dbraw/zinc/38/15/47/573381547.db2.gz XPQCLZOSBBSBCI-SNVBAGLBSA-N 0 0 166.264 2.936 10 0 AFAERN O=C1CCCCC[C@@H]1C[C@@H]1CCOC1 86354706 573381582 /nfs/dbraw/zinc/38/15/82/573381582.db2.gz KBRSLENYPNVGST-WDEREUQCSA-N 0 0 196.290 2.562 10 0 AFAERN CCN[C@H](CCC1CC1)C(F)(F)F 129927343 573381592 /nfs/dbraw/zinc/38/15/92/573381592.db2.gz KDMUIIQKLMSDTF-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@H](Nc1ccc(O)cc1)C1CC1 83055324 573381596 /nfs/dbraw/zinc/38/15/96/573381596.db2.gz JQQHKVUUCWYNEN-LBPRGKRZSA-N 0 0 191.274 2.993 10 0 AFAERN CC(C)(O)CC[C@@H]1CCCCCC1=O 86354752 573381618 /nfs/dbraw/zinc/38/16/18/573381618.db2.gz AEGRMOORQPWGMQ-JTQLQIEISA-N 0 0 198.306 2.687 10 0 AFAERN Cc1c(NCC(C)C)n[nH]c1C1CC1 83058246 573381619 /nfs/dbraw/zinc/38/16/19/573381619.db2.gz XPZVQDRLZAEKCG-UHFFFAOYSA-N 0 0 193.294 2.663 10 0 AFAERN O=C1CCC[C@H]1CCC1CC1 86353997 573381626 /nfs/dbraw/zinc/38/16/26/573381626.db2.gz FRJONXJSELRQQV-VIFPVBQESA-N 0 0 152.237 2.546 10 0 AFAERN C[C@H]1CCC(=O)[C@H](CC2CC2)C1 86354869 573381667 /nfs/dbraw/zinc/38/16/67/573381667.db2.gz RWQGRDRNAOCOIK-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)[C@@H](O)c1ccc(Cl)cc1N 83053532 573382674 /nfs/dbraw/zinc/38/26/74/573382674.db2.gz QTSACLNLUGPNBC-SNVBAGLBSA-N 0 0 199.681 2.612 10 0 AFAERN CC[C@@H](CC1CCC1)C(C)=O 86353613 573382677 /nfs/dbraw/zinc/38/26/77/573382677.db2.gz PQWZHBVZYJYCNF-JTQLQIEISA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@@H](CC(F)(F)F)C(C)=O 86353763 573382685 /nfs/dbraw/zinc/38/26/85/573382685.db2.gz SVGCGCDEKQAWBA-LURJTMIESA-N 0 0 168.158 2.554 10 0 AFAERN C/C=C\CCn1c(C)cc(C=O)c1C 308377069 573382819 /nfs/dbraw/zinc/38/28/19/573382819.db2.gz AYILXPATANGMHK-PLNGDYQASA-N 0 0 191.274 2.884 10 0 AFAERN CO[C@@H]1CCC[C@@H]([C@@H]2CCCC2=O)C1 86353980 573382779 /nfs/dbraw/zinc/38/27/79/573382779.db2.gz YOZMSAZNMGEWTM-MXWKQRLJSA-N 0 0 196.290 2.561 10 0 AFAERN O=C1c2ccccc2[C@H]2CC=CCCN12 238653827 573382735 /nfs/dbraw/zinc/38/27/35/573382735.db2.gz NKWRFGYZEXYVHG-GFCCVEGCSA-N 0 0 199.253 2.534 10 0 AFAERN CC[C@H]1CCC(=O)[C@@H](CC(C)(C)O)C1 86355444 573382746 /nfs/dbraw/zinc/38/27/46/573382746.db2.gz NEQASKJGRYNULE-VHSXEESVSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@@H](C)[C@H](C(C)=O)C(C)C 86356371 573385230 /nfs/dbraw/zinc/38/52/30/573385230.db2.gz LZMXCKHIMPQYCP-PSASIEDQSA-N 0 0 156.269 2.894 10 0 AFAERN Cc1ccccc1-c1ccon1 118090183 573385216 /nfs/dbraw/zinc/38/52/16/573385216.db2.gz QANLMPPONZMILX-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN CC[C@](O)(c1cccs1)C1CC1 83058275 573384638 /nfs/dbraw/zinc/38/46/38/573384638.db2.gz IOXBUWXXZMGGPX-SNVBAGLBSA-N 0 0 182.288 2.756 10 0 AFAERN CC[C@H](C)[C@H](C(C)=O)C(C)C 86356373 573384649 /nfs/dbraw/zinc/38/46/49/573384649.db2.gz LZMXCKHIMPQYCP-WCBMZHEXSA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@@H](C1CCCCC1)[C@H](C)O 86358436 573384735 /nfs/dbraw/zinc/38/47/35/573384735.db2.gz BIWVODCFDNTXBK-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccc2c1c([C@@H](C)O)cn2C 258011249 573384769 /nfs/dbraw/zinc/38/47/69/573384769.db2.gz XRNIJTFTOGWISU-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CC[C@@H]1CCC[C@@H](C[C@@H](C)O)C1 86358262 573384851 /nfs/dbraw/zinc/38/48/51/573384851.db2.gz AARGDXNGCXFJJO-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CC(=O)[C@@H](CC1CC1)C(C)C 86356360 573384910 /nfs/dbraw/zinc/38/49/10/573384910.db2.gz JTAUZEDBEKCLMM-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)[C@H](C)CC1CCC1 86356816 573384912 /nfs/dbraw/zinc/38/49/12/573384912.db2.gz QYLMTKNOAUCXCN-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H](c1c[nH]cn1)c1ccccc1F 118039813 573384951 /nfs/dbraw/zinc/38/49/51/573384951.db2.gz VDEWVLBVRAHFFC-MRVPVSSYSA-N 0 0 190.221 2.701 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1C[C@@H](C)O 86358044 573384980 /nfs/dbraw/zinc/38/49/80/573384980.db2.gz PHTWMZNQOOGZHH-GMTAPVOTSA-N 0 0 170.296 2.974 10 0 AFAERN COc1cccc(F)c1CSC 238375243 573385034 /nfs/dbraw/zinc/38/50/34/573385034.db2.gz XYMYGPIVUJITDJ-UHFFFAOYSA-N 0 0 186.251 2.697 10 0 AFAERN CCC1CCC(C[C@@H](C)O)CC1 86358126 573385323 /nfs/dbraw/zinc/38/53/23/573385323.db2.gz DKYHINVWVQWGIX-KPPDAEKUSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C1CCCC1)[C@H](C)O 86358659 573385082 /nfs/dbraw/zinc/38/50/82/573385082.db2.gz XVVHOQNARYSYHB-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN CCN(CC)C(=O)Nc1cccs1 74754170 573387577 /nfs/dbraw/zinc/38/75/77/573387577.db2.gz HIWVZDBGEBMFCN-UHFFFAOYSA-N 0 0 198.291 2.622 10 0 AFAERN COc1ccc(C=O)c(C(C)(C)C)c1 238376872 573387598 /nfs/dbraw/zinc/38/75/98/573387598.db2.gz WWSZVPRKOUWQKG-UHFFFAOYSA-N 0 0 192.258 2.805 10 0 AFAERN Cc1cc(N[C@H]2C[C@@H]2C)c(N)cc1F 235579042 573386572 /nfs/dbraw/zinc/38/65/72/573386572.db2.gz ZPWOMSITMIEEMH-XVKPBYJWSA-N 0 0 194.253 2.537 10 0 AFAERN COc1cc(C)cc2c1NCCS2 238376629 573386668 /nfs/dbraw/zinc/38/66/68/573386668.db2.gz YUEWKNDEWYMRHM-UHFFFAOYSA-N 0 0 195.287 2.521 10 0 AFAERN CC[C@@H]1CCCC[C@H]1C[C@@H](C)O 86358048 573386703 /nfs/dbraw/zinc/38/67/03/573386703.db2.gz PHTWMZNQOOGZHH-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](C1CCCCC1)[C@@H](C)O 86358432 573386714 /nfs/dbraw/zinc/38/67/14/573386714.db2.gz BIWVODCFDNTXBK-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN COc1cc(C)cc2c(N)cccc12 238377415 573386763 /nfs/dbraw/zinc/38/67/63/573386763.db2.gz ORESPFBMFRWSAB-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN CCC[C@H](O)CCCC1CC1 86358833 573386780 /nfs/dbraw/zinc/38/67/80/573386780.db2.gz FIGMLQAGUUMXMJ-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN C[C@H](F)Cc1ccccc1[C@@H](C)CO 258011595 573386814 /nfs/dbraw/zinc/38/68/14/573386814.db2.gz HNNKUNURUSGXII-UWVGGRQHSA-N 0 0 196.265 2.683 10 0 AFAERN CCC(CC)CC(C)(C)O 78221029 573386837 /nfs/dbraw/zinc/38/68/37/573386837.db2.gz CKWRBDSKVBMYKY-UHFFFAOYSA-N 0 0 144.258 2.584 10 0 AFAERN CC[C@@H](C)NC(=O)Nc1cccs1 74754110 573386856 /nfs/dbraw/zinc/38/68/56/573386856.db2.gz BGKJDVIEHCTOFQ-SSDOTTSWSA-N 0 0 198.291 2.668 10 0 AFAERN CC(C)[C@H](O)CCC1CCC1 86359527 573386910 /nfs/dbraw/zinc/38/69/10/573386910.db2.gz IQNUDXVNCYQGDH-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](O)c1cccc(F)c1 118208620 573386955 /nfs/dbraw/zinc/38/69/55/573386955.db2.gz BFFGACYVGCKAFS-GGVZMXCHSA-N 0 0 180.222 2.515 10 0 AFAERN C[C@@H](F)Cc1ccccc1[C@@H](C)CO 258011599 573387032 /nfs/dbraw/zinc/38/70/32/573387032.db2.gz HNNKUNURUSGXII-VHSXEESVSA-N 0 0 196.265 2.683 10 0 AFAERN CSCc1cc(C)cnc1Cl 238376973 573387095 /nfs/dbraw/zinc/38/70/95/573387095.db2.gz JSNPCKUNWOWNDN-UHFFFAOYSA-N 0 0 187.695 2.906 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](O)c1cc(F)cc(F)c1 118205272 573387191 /nfs/dbraw/zinc/38/71/91/573387191.db2.gz OLUOTFYGZDRMGD-PFZYVWIYSA-N 0 0 198.212 2.654 10 0 AFAERN CC(C)CNC(=O)Nc1cccs1 74754109 573387204 /nfs/dbraw/zinc/38/72/04/573387204.db2.gz DKJZZWYOPYYNHJ-UHFFFAOYSA-N 0 0 198.291 2.526 10 0 AFAERN CC[C@@H](C)CNc1ccnc(OC)c1 133196390 573387230 /nfs/dbraw/zinc/38/72/30/573387230.db2.gz RJNRHPJZISUPKE-SECBINFHSA-N 0 0 194.278 2.548 10 0 AFAERN CCCCNC(=O)Nc1cccs1 74754108 573387241 /nfs/dbraw/zinc/38/72/41/573387241.db2.gz BHZWUXIGPQNSRW-UHFFFAOYSA-N 0 0 198.291 2.670 10 0 AFAERN COc1cc(C)cc2ccc(N)cc12 238377632 573387329 /nfs/dbraw/zinc/38/73/29/573387329.db2.gz WNPYKRDJZBDTLC-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN CCn1c(C)cc2cccc(C=O)c21 258019922 573387345 /nfs/dbraw/zinc/38/73/45/573387345.db2.gz JLOZOTYAORAMJL-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN CCCCc1ccc(NC=O)cc1 78219655 573387420 /nfs/dbraw/zinc/38/74/20/573387420.db2.gz HESWZLJSLXBSFC-UHFFFAOYSA-N 0 0 177.247 2.598 10 0 AFAERN Cc1ccccc1[C@H](C)[C@@H](C)CO 238377610 573387446 /nfs/dbraw/zinc/38/74/46/573387446.db2.gz YOASLMZFOGZERG-WDEREUQCSA-N 0 0 178.275 2.727 10 0 AFAERN COc1ccc2ccoc2c1C 238377047 573387536 /nfs/dbraw/zinc/38/75/36/573387536.db2.gz IVGCXEUGCIKHSA-UHFFFAOYSA-N 0 0 162.188 2.750 10 0 AFAERN CSCc1cc(F)c(F)cc1O 238377208 573387685 /nfs/dbraw/zinc/38/76/85/573387685.db2.gz DBYZKCWEUSNHFG-UHFFFAOYSA-N 0 0 190.214 2.533 10 0 AFAERN C[C@@H]1CC[C@@H](O)[C@H](CC2CCC2)C1 86361314 573387738 /nfs/dbraw/zinc/38/77/38/573387738.db2.gz YIIZXYFICVOKOR-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN CC(=O)[C@@H]1C[C@@]1(C)C(C)(C)C 118245768 573387777 /nfs/dbraw/zinc/38/77/77/573387777.db2.gz GARHGQXEMHXDEV-WCBMZHEXSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@@H]1CCc2ccccc2[C@H]1O 86360902 573387831 /nfs/dbraw/zinc/38/78/31/573387831.db2.gz MKOLRGADWGLELK-AAEUAGOBSA-N 0 0 190.286 2.938 10 0 AFAERN O[C@H]1CCCCC[C@H]1CC(F)(F)F 86360619 573387912 /nfs/dbraw/zinc/38/79/12/573387912.db2.gz NOGZIKKOYRLNEB-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1nc2ccc(F)cc2nc1Cl 118235517 573387967 /nfs/dbraw/zinc/38/79/67/573387967.db2.gz WNPOTOPGXJPVHJ-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN CC(C)Cc1cn2c(n1)C[C@H](C)CC2 258310326 573388041 /nfs/dbraw/zinc/38/80/41/573388041.db2.gz JUFFZYKEJQDJBT-SNVBAGLBSA-N 0 0 192.306 2.664 10 0 AFAERN C[C@@H]([NH3+])[C@@H](F)c1cccc(Cl)c1 238376844 573388049 /nfs/dbraw/zinc/38/80/49/573388049.db2.gz HGKPNVNUAAKGKR-HZGVNTEJSA-N 0 0 187.645 2.698 10 0 AFAERN CC[C@@H]1CC[C@H](O)[C@H](C(C)C)C1 86361503 573388142 /nfs/dbraw/zinc/38/81/42/573388142.db2.gz QSSJFAQSUHWABD-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN CC(=O)[C@H]1C[C@@]1(C)C(C)(C)C 118245770 573388218 /nfs/dbraw/zinc/38/82/18/573388218.db2.gz GARHGQXEMHXDEV-PSASIEDQSA-N 0 0 154.253 2.648 10 0 AFAERN C/C(=C/Br)c1ccncc1 118232207 573388288 /nfs/dbraw/zinc/38/82/88/573388288.db2.gz VXANMPCZLCIFMM-SREVYHEPSA-N 0 0 198.063 2.837 10 0 AFAERN CC[C@H](O)C/C=C/c1ccccc1 166205519 573388320 /nfs/dbraw/zinc/38/83/20/573388320.db2.gz DLMBMEIMUGSYAU-LZGFCCKTSA-N 0 0 176.259 2.861 10 0 AFAERN C[C@H](CO)c1ccccc1C[C@@H](C)F 258011592 573388337 /nfs/dbraw/zinc/38/83/37/573388337.db2.gz HNNKUNURUSGXII-NXEZZACHSA-N 0 0 196.265 2.683 10 0 AFAERN CSCc1c(C)cccc1F 238376195 573389245 /nfs/dbraw/zinc/38/92/45/573389245.db2.gz VWIJAACVVYEYCV-UHFFFAOYSA-N 0 0 170.252 2.997 10 0 AFAERN CC[C@H](C)[C@@H]1C[C@H](C)CC[C@@H]1O 86361412 573389124 /nfs/dbraw/zinc/38/91/24/573389124.db2.gz PRZSRYWLWYPFJJ-RCWTZXSCSA-N 0 0 170.296 2.830 10 0 AFAERN CO/C=C\c1ccc2ccccc2n1 214487596 573389192 /nfs/dbraw/zinc/38/91/92/573389192.db2.gz JTZZBWRQDBIFDB-HJWRWDBZSA-N 0 0 185.226 2.852 10 0 AFAERN O[C@H]1CCCCC[C@@H]1CC(F)(F)F 86360618 573389202 /nfs/dbraw/zinc/38/92/02/573389202.db2.gz NOGZIKKOYRLNEB-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN O[C@@H]1CCCCC[C@H]1CC(F)F 86360512 573389214 /nfs/dbraw/zinc/38/92/14/573389214.db2.gz SMOGVKRNZVTRED-JGVFFNPUSA-N 0 0 178.222 2.583 10 0 AFAERN O[C@@H]1c2ccccc2C[C@H]1CC1CC1 86360722 573389512 /nfs/dbraw/zinc/38/95/12/573389512.db2.gz MMZVFZHEIAAOSO-YPMHNXCESA-N 0 0 188.270 2.692 10 0 AFAERN O[C@@H]1CCCNc2cccc(Cl)c21 257804889 573389532 /nfs/dbraw/zinc/38/95/32/573389532.db2.gz UJSLAZQNSCEYLH-SECBINFHSA-N 0 0 197.665 2.579 10 0 AFAERN CCc1ccc(C)c([C@@H](C)O)c1 258012209 573389572 /nfs/dbraw/zinc/38/95/72/573389572.db2.gz NDCXNQLEDHGQQE-SECBINFHSA-N 0 0 164.248 2.611 10 0 AFAERN CC[C@@H](C)[C@@H]1Cc2cc(O)ccc2O1 197335200 573389589 /nfs/dbraw/zinc/38/95/89/573389589.db2.gz LIQNPUYKOUVYRE-PELKAZGASA-N 0 0 192.258 2.742 10 0 AFAERN C[C@@H]1C[C@@H]1[C@@H](O)c1cc(F)cc(F)c1 118205268 573389610 /nfs/dbraw/zinc/38/96/10/573389610.db2.gz OLUOTFYGZDRMGD-DADVEIPYSA-N 0 0 198.212 2.654 10 0 AFAERN C[C@@H]1C[C@H]1[C@@H](O)c1ccccc1F 118203054 573389615 /nfs/dbraw/zinc/38/96/15/573389615.db2.gz JNQHIGHRPIXPMY-ZOFUNIGCSA-N 0 0 180.222 2.515 10 0 AFAERN CC[C@H](C)[C@@H](C(C)C)[C@@H](C)O 86362987 573389633 /nfs/dbraw/zinc/38/96/33/573389633.db2.gz RGSDSPMOYYXPHF-IVZWLZJFSA-N 0 0 158.285 2.686 10 0 AFAERN Cc1ccc([C@@H](C)CO)c(Cl)c1 258013859 573389641 /nfs/dbraw/zinc/38/96/41/573389641.db2.gz HNPPXHYJCSZUBI-QMMMGPOBSA-N 0 0 184.666 2.744 10 0 AFAERN C[C@H]1C[C@H](C)c2ccc(O)cc2O1 197335341 573389659 /nfs/dbraw/zinc/38/96/59/573389659.db2.gz LSPUSNTZUFYHQW-YUMQZZPRSA-N 0 0 178.231 2.667 10 0 AFAERN CCc1cc(C)c(C)c(C2(O)CC2)c1 258011516 573389717 /nfs/dbraw/zinc/38/97/17/573389717.db2.gz HLYXJPLJSYHJPR-UHFFFAOYSA-N 0 0 190.286 2.847 10 0 AFAERN COc1ccc(O)c(C=C(C)C)c1 238376349 573389726 /nfs/dbraw/zinc/38/97/26/573389726.db2.gz WUXYCDBQVDIPTL-UHFFFAOYSA-N 0 0 178.231 2.824 10 0 AFAERN COc1ccc(C=C(C)C)c(C=O)c1 238376440 573389752 /nfs/dbraw/zinc/38/97/52/573389752.db2.gz QLZMCPAIJDXERD-UHFFFAOYSA-N 0 0 190.242 2.931 10 0 AFAERN C[C@H]1CCC[C@@H]([C@@H](O)CC2CC2)C1 224906867 573389759 /nfs/dbraw/zinc/38/97/59/573389759.db2.gz ZDWYSZCEOOCKCL-WCQGTBRESA-N 0 0 182.307 2.974 10 0 AFAERN COc1ccccc1-c1cc[nH]c1 238376925 573389780 /nfs/dbraw/zinc/38/97/80/573389780.db2.gz LZIDWBYFHDDMAF-UHFFFAOYSA-N 0 0 173.215 2.690 10 0 AFAERN C[C@@H]([NH3+])[C@@H](F)c1ccc(Cl)cc1 238376810 573389836 /nfs/dbraw/zinc/38/98/36/573389836.db2.gz AMRUWXOHTFFJIA-HZGVNTEJSA-N 0 0 187.645 2.698 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@H](CC(F)(F)F)C1 86361343 573389842 /nfs/dbraw/zinc/38/98/42/573389842.db2.gz KOZOSUBFYYGLSF-CSMHCCOUSA-N 0 0 196.212 2.736 10 0 AFAERN O[C@H]1c2ccccc2C[C@@H]1CC(F)F 86360802 573389855 /nfs/dbraw/zinc/38/98/55/573389855.db2.gz GCCUSNLUOMADLK-LDYMZIIASA-N 0 0 198.212 2.548 10 0 AFAERN C[C@H]1COc2cc(O)ccc2[C@@H]1C 197335794 573389856 /nfs/dbraw/zinc/38/98/56/573389856.db2.gz BSMRLXFNBAUBSR-JGVFFNPUSA-N 0 0 178.231 2.524 10 0 AFAERN CC[C@@H]1CC[C@H](O)[C@H](CC2CC2)C1 86361510 573389966 /nfs/dbraw/zinc/38/99/66/573389966.db2.gz QSUPSQXZOCEMJQ-USWWRNFRSA-N 0 0 182.307 2.974 10 0 AFAERN CC(C)c1ccc(F)c(C[C@H](C)O)c1 258011613 573389917 /nfs/dbraw/zinc/38/99/17/573389917.db2.gz HNPLVQPVGGXSLL-VIFPVBQESA-N 0 0 196.265 2.872 10 0 AFAERN C[C@@H]1Cc2ccc(O)cc2OC1(C)C 197335377 573390740 /nfs/dbraw/zinc/39/07/40/573390740.db2.gz PRYXIPFPXINUTC-MRVPVSSYSA-N 0 0 192.258 2.742 10 0 AFAERN CSc1ccc2c(c1O)CCCC2 238378130 573390782 /nfs/dbraw/zinc/39/07/82/573390782.db2.gz RXAMZTBFDQGVRP-UHFFFAOYSA-N 0 0 194.299 2.993 10 0 AFAERN CC[C@@H](C)[C@H]1Cc2ccc(O)cc2O1 197335427 573390804 /nfs/dbraw/zinc/39/08/04/573390804.db2.gz HDFMCHDNCBIYHY-LDYMZIIASA-N 0 0 192.258 2.742 10 0 AFAERN CC1CCC(C[C@@H](O)C2CC2)CC1 86363204 573390817 /nfs/dbraw/zinc/39/08/17/573390817.db2.gz INWBMMGXQPPEPY-RTYFJBAXSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H](O)/C=C/CC1CCCCC1 238379613 573392120 /nfs/dbraw/zinc/39/21/20/573392120.db2.gz ZYFKXZLXIFDBRD-BRAIEQGRSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H]1CC[C@@H](O)[C@H](CC2CC2)C1 86361112 573390876 /nfs/dbraw/zinc/39/08/76/573390876.db2.gz RJOHVEIMUVSHIP-DVVUODLYSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@@H]1CCC[C@H]([C@@H](C)[C@@H](C)O)C1 86360210 573390882 /nfs/dbraw/zinc/39/08/82/573390882.db2.gz CFOMWAJKMUUBTI-YTWAJWBKSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H](O)c1cc2c(F)cccc2o1 258013737 573390965 /nfs/dbraw/zinc/39/09/65/573390965.db2.gz XVXINIGXSOEIDA-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN CC[C@H](C)[C@H]1Cc2ccccc2[C@@H]1O 86360875 573390993 /nfs/dbraw/zinc/39/09/93/573390993.db2.gz RGXDPMIHAXTAHT-BIMULSAOSA-N 0 0 190.286 2.938 10 0 AFAERN CC[C@@H]1CC[C@H](O)[C@H](CC(F)F)C1 86361594 573391021 /nfs/dbraw/zinc/39/10/21/573391021.db2.gz PTTXNRCSLBGGSQ-VGMNWLOBSA-N 0 0 192.249 2.829 10 0 AFAERN CC1CCC([C@@H](C)[C@H](C)O)CC1 86360198 573391083 /nfs/dbraw/zinc/39/10/83/573391083.db2.gz SCGODHIADJGHRD-SEQHWMEXSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1Cc2ccc(O)cc2OC1(C)C 197335388 573391109 /nfs/dbraw/zinc/39/11/09/573391109.db2.gz PRYXIPFPXINUTC-QMMMGPOBSA-N 0 0 192.258 2.742 10 0 AFAERN O[C@@H]1c2ccccc2C[C@@H]1CC(F)F 86360797 573391145 /nfs/dbraw/zinc/39/11/45/573391145.db2.gz GCCUSNLUOMADLK-KCJUWKMLSA-N 0 0 198.212 2.548 10 0 AFAERN CC1CCC([C@H](C)[C@H](C)O)CC1 86360200 573391187 /nfs/dbraw/zinc/39/11/87/573391187.db2.gz SCGODHIADJGHRD-WIFZPCQCSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@H](CC2CC2)C1 86361108 573391232 /nfs/dbraw/zinc/39/12/32/573391232.db2.gz RJOHVEIMUVSHIP-MIMYLULJSA-N 0 0 168.280 2.584 10 0 AFAERN Oc1ccc(C[C@H]2CCSC2)cc1 257810585 573391244 /nfs/dbraw/zinc/39/12/44/573391244.db2.gz ANOIJXOXWFXEDL-SNVBAGLBSA-N 0 0 194.299 2.688 10 0 AFAERN CC(C)[C@H](C1CCCC1)[C@@H](C)O 86362956 573391246 /nfs/dbraw/zinc/39/12/46/573391246.db2.gz KIHITCJALOWQMR-KOLCDFICSA-N 0 0 170.296 2.830 10 0 AFAERN COc1cccc(N)c1[C@@H]1CC1(C)C 238378442 573391501 /nfs/dbraw/zinc/39/15/01/573391501.db2.gz XAXSZIJOUIVRSQ-QMMMGPOBSA-N 0 0 191.274 2.791 10 0 AFAERN CC1N=C(C2CCCC2)SC1=O 259435393 573391527 /nfs/dbraw/zinc/39/15/27/573391527.db2.gz WJEFEYIOWCLNKG-UHFFFAOYSA-N 0 0 183.276 2.815 10 0 AFAERN CC[C@@H]1CC[C@@H](O)[C@H](C(C)C)C1 86361507 573391578 /nfs/dbraw/zinc/39/15/78/573391578.db2.gz QSSJFAQSUHWABD-OUAUKWLOSA-N 0 0 170.296 2.830 10 0 AFAERN COc1ccc2cnsc2c1Cl 238378006 573391667 /nfs/dbraw/zinc/39/16/67/573391667.db2.gz HSIDDRCYFVTRBM-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN CC(C)[C@H]1CCc2ccccc2[C@H]1O 86360904 573391672 /nfs/dbraw/zinc/39/16/72/573391672.db2.gz MKOLRGADWGLELK-YPMHNXCESA-N 0 0 190.286 2.938 10 0 AFAERN COc1ccc([C@H]2CC2(C)C)c(N)c1 238378389 573391674 /nfs/dbraw/zinc/39/16/74/573391674.db2.gz GDNWKEQIZRGNCO-SNVBAGLBSA-N 0 0 191.274 2.791 10 0 AFAERN C[C@H]1C[C@]1(O)C1(C)CCCCC1 235588378 573391681 /nfs/dbraw/zinc/39/16/81/573391681.db2.gz XGLPIXNALICSHA-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H](O)[C@H](C)CC1CCC1 86363600 573391686 /nfs/dbraw/zinc/39/16/86/573391686.db2.gz IMCZXHRNTOEQRC-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1CC[C@@H](O)[C@H](CC2CC2)C1 86361513 573391751 /nfs/dbraw/zinc/39/17/51/573391751.db2.gz QSUPSQXZOCEMJQ-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1CCC[C@H](C[C@H](O)C2CC2)C1 86363206 573391794 /nfs/dbraw/zinc/39/17/94/573391794.db2.gz LQJXSRBFZLNPHP-SCVCMEIPSA-N 0 0 182.307 2.974 10 0 AFAERN COc1ccc(O)c([C@@H](C)SC)c1 238379131 573391813 /nfs/dbraw/zinc/39/18/13/573391813.db2.gz GVVVVZUTJLODBJ-SSDOTTSWSA-N 0 0 198.287 2.825 10 0 AFAERN CCC1(CC(=O)[C@@](C)(O)CC)CCC1 308570541 573391888 /nfs/dbraw/zinc/39/18/88/573391888.db2.gz JXIUWNJVTILBGU-NSHDSACASA-N 0 0 198.306 2.687 10 0 AFAERN O[C@H]1CCCCC[C@@H]1CC(F)F 86360515 573391917 /nfs/dbraw/zinc/39/19/17/573391917.db2.gz SMOGVKRNZVTRED-SFYZADRCSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@@H]1C[C@@H](C)c2ccc(O)cc2O1 197335351 573391921 /nfs/dbraw/zinc/39/19/21/573391921.db2.gz LSPUSNTZUFYHQW-HTQZYQBOSA-N 0 0 178.231 2.667 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ccc(C)o1 86387902 573392996 /nfs/dbraw/zinc/39/29/96/573392996.db2.gz PZOKQFWCEZVLPK-XCBNKYQSSA-N 0 0 168.236 2.668 10 0 AFAERN CC[C@@H](C)[C@H](O)CC(C)(C)C 86388142 573393026 /nfs/dbraw/zinc/39/30/26/573393026.db2.gz JHHGGYCQTXZCTL-RKDXNWHRSA-N 0 0 158.285 2.830 10 0 AFAERN CCC(C)(C)[C@@H](CC1(C)CCC1)NN 308570571 573393048 /nfs/dbraw/zinc/39/30/48/573393048.db2.gz JZHNPDWHJPLOCR-SNVBAGLBSA-N 0 0 198.354 2.835 10 0 AFAERN CC[C@H](C)C1(O)Cc2ccccc2C1 86387735 573393049 /nfs/dbraw/zinc/39/30/49/573393049.db2.gz HOEAIGQRTDIELF-JTQLQIEISA-N 0 0 190.286 2.562 10 0 AFAERN C[C@@H](O)/C=C/C=C=C1CCCCC1 238379396 573393109 /nfs/dbraw/zinc/39/31/09/573393109.db2.gz NOUWBERFJIOWIB-OKPNEXGHSA-N 0 0 178.275 2.969 10 0 AFAERN C[C@@H]1COc2cc(O)ccc2[C@@H]1C 197335786 573393114 /nfs/dbraw/zinc/39/31/14/573393114.db2.gz BSMRLXFNBAUBSR-HTQZYQBOSA-N 0 0 178.231 2.524 10 0 AFAERN CC(C)=CCC/C=C/[C@@H](C)O 238379691 573393141 /nfs/dbraw/zinc/39/31/41/573393141.db2.gz FYTMTVLIKCRHTJ-QEHWCHDUSA-N 0 0 154.253 2.670 10 0 AFAERN CC[C@@H](C)[C@@]1(O)CCc2ccccc21 86387730 573393148 /nfs/dbraw/zinc/39/31/48/573393148.db2.gz UBZBRVAHPINZIX-MFKMUULPSA-N 0 0 190.286 2.867 10 0 AFAERN COc1cc(OC2CCC2)ccc1F 238378626 573393163 /nfs/dbraw/zinc/39/31/63/573393163.db2.gz NXPGEGUXNGGDQZ-UHFFFAOYSA-N 0 0 196.221 2.766 10 0 AFAERN c1csc(Oc2cnsc2)c1 258495366 573393207 /nfs/dbraw/zinc/39/32/07/573393207.db2.gz LTWXLJKWNOOXDU-UHFFFAOYSA-N 0 0 183.257 2.997 10 0 AFAERN Oc1ccc(C[C@@H]2CCSC2)cc1 257810584 573393417 /nfs/dbraw/zinc/39/34/17/573393417.db2.gz ANOIJXOXWFXEDL-JTQLQIEISA-N 0 0 194.299 2.688 10 0 AFAERN CON(CC[C@@H](C)F)C1CCCC1 308379669 573393457 /nfs/dbraw/zinc/39/34/57/573393457.db2.gz UIDXXCSNGXJGEA-SECBINFHSA-N 0 0 189.274 2.541 10 0 AFAERN CNc1ncc(-c2ccccc2C)o1 258643327 573393490 /nfs/dbraw/zinc/39/34/90/573393490.db2.gz SGWDUHXQGFBMHB-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CCCCC(=O)CNc1ccccc1 126176171 573394700 /nfs/dbraw/zinc/39/47/00/573394700.db2.gz ULYSNCCZVXRVKH-UHFFFAOYSA-N 0 0 191.274 2.858 10 0 AFAERN COc1ccc(-c2c[nH]c(C)c2)cc1 238386237 573395121 /nfs/dbraw/zinc/39/51/21/573395121.db2.gz OFYQIXIHIYDYFD-UHFFFAOYSA-N 0 0 187.242 2.999 10 0 AFAERN CC[C@@H](C)C1(O)Cc2ccccc2C1 86387733 573394224 /nfs/dbraw/zinc/39/42/24/573394224.db2.gz HOEAIGQRTDIELF-SNVBAGLBSA-N 0 0 190.286 2.562 10 0 AFAERN CSc1ccc2c(c1)NCCC2 238378145 573394259 /nfs/dbraw/zinc/39/42/59/573394259.db2.gz YPOUQBXQANHYMB-UHFFFAOYSA-N 0 0 179.288 2.767 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCC[C@H](C)C1 86387663 573394261 /nfs/dbraw/zinc/39/42/61/573394261.db2.gz LRHMSPXRDWFYHY-GARJFASQSA-N 0 0 170.296 2.974 10 0 AFAERN CCC1(CC(=O)[C@](C)(O)CC)CCC1 308570539 573394309 /nfs/dbraw/zinc/39/43/09/573394309.db2.gz JXIUWNJVTILBGU-LLVKDONJSA-N 0 0 198.306 2.687 10 0 AFAERN COc1ccc(O)c([C@H](C)SC)c1 238379753 573394432 /nfs/dbraw/zinc/39/44/32/573394432.db2.gz GVVVVZUTJLODBJ-ZETCQYMHSA-N 0 0 198.287 2.825 10 0 AFAERN COc1cccc(N)c1[C@H]1CC1(C)C 238378792 573394473 /nfs/dbraw/zinc/39/44/73/573394473.db2.gz XAXSZIJOUIVRSQ-MRVPVSSYSA-N 0 0 191.274 2.791 10 0 AFAERN OC[C@@H]1C=CO/C1=C/C1CCCCC1 224087429 573394593 /nfs/dbraw/zinc/39/45/93/573394593.db2.gz UGYZRCUFKUVOAC-SERMCNLOSA-N 0 0 194.274 2.603 10 0 AFAERN CC[C@H](C)[C@H](O)[C@H]1CC=CCC1 86388123 573394642 /nfs/dbraw/zinc/39/46/42/573394642.db2.gz GEUYACLGQYTVOO-DCAQKATOSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@H](C)[C@](O)(CC)C(C)C 86387802 573394846 /nfs/dbraw/zinc/39/48/46/573394846.db2.gz YOYCWCRNFVYCKY-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN COc1ccc2sncc2c1C 238386806 573394849 /nfs/dbraw/zinc/39/48/49/573394849.db2.gz QONMJRGETRSOLR-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CC(=O)C[C@@H](C)C(=O)[C@@H](C)C(C)(C)C 308570171 573394854 /nfs/dbraw/zinc/39/48/54/573394854.db2.gz DLMMKJBTFBZOJD-PSASIEDQSA-N 0 0 198.306 2.853 10 0 AFAERN c1ccc2c(c1)N[C@H](C1CCC1)CO2 259094436 573394899 /nfs/dbraw/zinc/39/48/99/573394899.db2.gz JLRNUFUAUPJGNO-NSHDSACASA-N 0 0 189.258 2.660 10 0 AFAERN CC[C@@H](C)[C@]1(O)CCc2ccccc21 86387724 573394973 /nfs/dbraw/zinc/39/49/73/573394973.db2.gz UBZBRVAHPINZIX-ZWNOBZJWSA-N 0 0 190.286 2.867 10 0 AFAERN COc1ccc2sncc2c1Cl 238386834 573394992 /nfs/dbraw/zinc/39/49/92/573394992.db2.gz JJQBNZMUVHVMQJ-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN C[C@@H](O)c1ccc(C(C)(C)C)cc1O 238386970 573395017 /nfs/dbraw/zinc/39/50/17/573395017.db2.gz RJPHXYGBBHWURG-MRVPVSSYSA-N 0 0 194.274 2.743 10 0 AFAERN CC[C@@H](C)[C@H](C)NOC(C)(C)C 133412687 573395763 /nfs/dbraw/zinc/39/57/63/573395763.db2.gz DTJAOMQEKJHYQU-BDAKNGLRSA-N 0 0 173.300 2.741 10 0 AFAERN Cc1cc(Cl)ccc1[C@@]1(O)C[C@@H]1C 235589749 573395764 /nfs/dbraw/zinc/39/57/64/573395764.db2.gz RGZVJYXGTQFATF-GZMMTYOYSA-N 0 0 196.677 2.876 10 0 AFAERN COC1=C2CCC[C@@H](O)[C@@]2(C)CCC1 238386934 573397171 /nfs/dbraw/zinc/39/71/71/573397171.db2.gz MZWSAEFTJHDHSA-NEPJUHHUSA-N 0 0 196.290 2.622 10 0 AFAERN COc1cc(C=O)cc2ccsc12 238387839 573401081 /nfs/dbraw/zinc/40/10/81/573401081.db2.gz AUXCHUDQMAPXOY-UHFFFAOYSA-N 0 0 192.239 2.722 10 0 AFAERN CC[C@H](C)C(=O)c1cc(C)ccn1 86388955 573401098 /nfs/dbraw/zinc/40/10/98/573401098.db2.gz MQIGHRVFCOVDSA-VIFPVBQESA-N 0 0 177.247 2.619 10 0 AFAERN CC(C)[C@@]12CC=CC[C@H]1CCC2=O 211735076 573401104 /nfs/dbraw/zinc/40/11/04/573401104.db2.gz CRRBYLUADCAAPI-JQWIXIFHSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@]12CC=CC[C@@]1(C)C(=O)CC2 211733870 573401122 /nfs/dbraw/zinc/40/11/22/573401122.db2.gz XHTAGTIKVGJBCM-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@H](C)[C@H](O)[C@@H]1Cc2ccccc21 86389702 573400458 /nfs/dbraw/zinc/40/04/58/573400458.db2.gz VHKHDHVLJNURBY-BIMULSAOSA-N 0 0 190.286 2.733 10 0 AFAERN CC[C@@H](C)c1cc(Cl)cnc1N 86393912 573400516 /nfs/dbraw/zinc/40/05/16/573400516.db2.gz WVUJZOVYUCMZRN-ZCFIWIBFSA-N 0 0 184.670 2.831 10 0 AFAERN CC[C@H](C)CNOCc1ccccc1 83099606 573400658 /nfs/dbraw/zinc/40/06/58/573400658.db2.gz VLPFBEJYQDDEJA-NSHDSACASA-N 0 0 193.290 2.754 10 0 AFAERN CC[C@@H](C)C1=C[C@H](O)CCC1 86394276 573400663 /nfs/dbraw/zinc/40/06/63/573400663.db2.gz WVRLFFQNCNCURL-PSASIEDQSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@@H](C)[C@@H](C)NOC(C)(C)C 133412299 573400685 /nfs/dbraw/zinc/40/06/85/573400685.db2.gz DTJAOMQEKJHYQU-RKDXNWHRSA-N 0 0 173.300 2.741 10 0 AFAERN CC[C@H](C)[C@@H](C)CC(C)=O 86393989 573400815 /nfs/dbraw/zinc/40/08/15/573400815.db2.gz NARSPNRVEKZWIN-YUMQZZPRSA-N 0 0 142.242 2.648 10 0 AFAERN CC1(C)Cc2cnoc2C(C)(C)C1 118394902 573400834 /nfs/dbraw/zinc/40/08/34/573400834.db2.gz BGLFXDIKGJXTLE-UHFFFAOYSA-N 0 0 179.263 2.925 10 0 AFAERN CC[C@H](C)C(C)(C)C[C@@H](C)O 86394257 573400857 /nfs/dbraw/zinc/40/08/57/573400857.db2.gz REVIVTPBOQPCFG-DTWKUNHWSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)[C@]12CC=CC[C@H]1CCC2=O 211735145 573400968 /nfs/dbraw/zinc/40/09/68/573400968.db2.gz CRRBYLUADCAAPI-CMPLNLGQSA-N 0 0 178.275 2.958 10 0 AFAERN COc1cc(C=O)c2cccccc1-2 238387091 573400866 /nfs/dbraw/zinc/40/08/66/573400866.db2.gz XNWUPQMRUFEEAJ-UHFFFAOYSA-N 0 0 186.210 2.613 10 0 AFAERN CC[C@H](C)C(=O)[C@@H]1Cc2ccccc21 86389003 573400875 /nfs/dbraw/zinc/40/08/75/573400875.db2.gz MHYWTTMZFAVGTF-JOYOIKCWSA-N 0 0 188.270 2.942 10 0 AFAERN c1ccc(CONC2CCCC2)cc1 83116133 573402630 /nfs/dbraw/zinc/40/26/30/573402630.db2.gz PIZKCOSNALRBAY-UHFFFAOYSA-N 0 0 191.274 2.650 10 0 AFAERN CC[C@H](C)[C@@H](O)[C@@H]1Cc2ccccc21 86389707 573402653 /nfs/dbraw/zinc/40/26/53/573402653.db2.gz VHKHDHVLJNURBY-ZWKOPEQDSA-N 0 0 190.286 2.733 10 0 AFAERN CC[C@H](C)C1=C[C@H](O)CCC1 86394278 573401719 /nfs/dbraw/zinc/40/17/19/573401719.db2.gz WVRLFFQNCNCURL-WCBMZHEXSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H](C)[C@H](O)[C@@H]1CC[C@H](C)C1 86389922 573401761 /nfs/dbraw/zinc/40/17/61/573401761.db2.gz YOOSXIRXCBFBAP-MMWGEVLESA-N 0 0 170.296 2.830 10 0 AFAERN CC12C=CCCC[C@@H](O)C(C=C1)C=C2 308573759 573401764 /nfs/dbraw/zinc/40/17/64/573401764.db2.gz GGJGHNSAURVFJB-OTTFEQOBSA-N 0 0 190.286 2.836 10 0 AFAERN COCNc1c(C)cc(C)cc1C 258644923 573401833 /nfs/dbraw/zinc/40/18/33/573401833.db2.gz MCFILIQGOPLSKT-UHFFFAOYSA-N 0 0 179.263 2.628 10 0 AFAERN CC[C@@H](C)C(C)(C)C[C@H](C)O 86394259 573401909 /nfs/dbraw/zinc/40/19/09/573401909.db2.gz REVIVTPBOQPCFG-BDAKNGLRSA-N 0 0 158.285 2.830 10 0 AFAERN CCc1nc(-c2cc[nH]c2)cs1 259440852 573401914 /nfs/dbraw/zinc/40/19/14/573401914.db2.gz YLYUSGDPMHLHRJ-UHFFFAOYSA-N 0 0 178.260 2.701 10 0 AFAERN CSC1=Nc2ccccc2OC1 238387173 573401922 /nfs/dbraw/zinc/40/19/22/573401922.db2.gz DFXPVPRGDNTJCA-UHFFFAOYSA-N 0 0 179.244 2.653 10 0 AFAERN C[C@@H]1NC=Cc2cc(F)c(F)cc21 238388705 573401931 /nfs/dbraw/zinc/40/19/31/573401931.db2.gz OVAXTUBGKNBQIH-LURJTMIESA-N 0 0 181.185 2.600 10 0 AFAERN C[C@]12CCCCC[C@@H]1CC2=O 224097525 573401939 /nfs/dbraw/zinc/40/19/39/573401939.db2.gz ILXKCGMINRLPDA-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@H](C)C(=O)CC(F)(F)F 86388876 573401955 /nfs/dbraw/zinc/40/19/55/573401955.db2.gz WYXJASSOFCHSMQ-YFKPBYRVSA-N 0 0 168.158 2.554 10 0 AFAERN C[C@@]12CCCCC[C@H]1CC2=O 224097573 573402005 /nfs/dbraw/zinc/40/20/05/573402005.db2.gz ILXKCGMINRLPDA-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN CCC(CC)C[C@H](NC)C(F)(F)F 133438963 573402135 /nfs/dbraw/zinc/40/21/35/573402135.db2.gz XTRMCQDTNJXSFV-QMMMGPOBSA-N 0 0 197.244 2.963 10 0 AFAERN CC[C@@H](C)C(=O)c1cccc(C)n1 86388947 573402141 /nfs/dbraw/zinc/40/21/41/573402141.db2.gz LAMCVOUSCWKNIL-MRVPVSSYSA-N 0 0 177.247 2.619 10 0 AFAERN CC[C@@H](C)n1nc(N)c2ccccc21 86393041 573402148 /nfs/dbraw/zinc/40/21/48/573402148.db2.gz RAOOXXOUFYXZSQ-MRVPVSSYSA-N 0 0 189.262 2.590 10 0 AFAERN FCc1nc(Cl)c2ccccc2n1 118468849 573402183 /nfs/dbraw/zinc/40/21/83/573402183.db2.gz UMERIGXDBJFEAT-UHFFFAOYSA-N 0 0 196.612 2.753 10 0 AFAERN Cc1cccc2[nH]c([C@H](C)O)cc12 258342000 573402192 /nfs/dbraw/zinc/40/21/92/573402192.db2.gz XVLNRBDOHDNEGT-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN CC[C@@H](C)[C@@H](C)CC(C)=O 86393987 573402203 /nfs/dbraw/zinc/40/22/03/573402203.db2.gz NARSPNRVEKZWIN-SFYZADRCSA-N 0 0 142.242 2.648 10 0 AFAERN CCCC(C)(C)CNCC(F)(F)F 259096612 573402249 /nfs/dbraw/zinc/40/22/49/573402249.db2.gz OCBVQWHLUIYPQN-UHFFFAOYSA-N 0 0 197.244 2.965 10 0 AFAERN CCCC(C)(C)OC(=O)C1CCC1 308380543 573402254 /nfs/dbraw/zinc/40/22/54/573402254.db2.gz UODLJIRIGYXHNZ-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC(C)CC(=O)CNc1ccccc1 126176453 573402264 /nfs/dbraw/zinc/40/22/64/573402264.db2.gz QJZDPWVUINMBPC-UHFFFAOYSA-N 0 0 191.274 2.714 10 0 AFAERN CCC(CC)C[C@@H](NC)C(F)(F)F 133439179 573402321 /nfs/dbraw/zinc/40/23/21/573402321.db2.gz XTRMCQDTNJXSFV-MRVPVSSYSA-N 0 0 197.244 2.963 10 0 AFAERN Cc1ccc(CCCCO)c(C)c1C 259095552 573402330 /nfs/dbraw/zinc/40/23/30/573402330.db2.gz JQXQDSMZCWIGKR-UHFFFAOYSA-N 0 0 192.302 2.927 10 0 AFAERN CC(C)CC(=O)c1ccc(=S)[nH]c1 118459713 573402384 /nfs/dbraw/zinc/40/23/84/573402384.db2.gz RBIABQNCWXNXCB-UHFFFAOYSA-N 0 0 195.287 2.599 10 0 AFAERN Cc1ccc([C@@H](C)O)c(C)c1C 238387086 573402391 /nfs/dbraw/zinc/40/23/91/573402391.db2.gz GGQVDHWLZUNKSG-SNVBAGLBSA-N 0 0 164.248 2.665 10 0 AFAERN CCC[C@](C)(CO)CC(C)(C)OC 393631382 573402524 /nfs/dbraw/zinc/40/25/24/573402524.db2.gz JIAUITJWHWFHKA-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CSc1nc(C2(C)CCCC2)c[nH]1 238387512 573403128 /nfs/dbraw/zinc/40/31/28/573403128.db2.gz PYAAHGKHDNTZGL-UHFFFAOYSA-N 0 0 196.319 2.963 10 0 AFAERN Clc1cccc2c1NC[C@@H]1C[C@H]21 257810432 573403185 /nfs/dbraw/zinc/40/31/85/573403185.db2.gz AJQPBGNMITYETD-XPUUQOCRSA-N 0 0 179.650 2.869 10 0 AFAERN CS[C@@H]1CCCC(C)=C1CCO 238387429 573403343 /nfs/dbraw/zinc/40/33/43/573403343.db2.gz MVEJADFPOIXPQB-SNVBAGLBSA-N 0 0 186.320 2.601 10 0 AFAERN COCNc1ccc(CC(C)C)cc1 259096496 573403996 /nfs/dbraw/zinc/40/39/96/573403996.db2.gz NZBDDIMNHOUCSJ-UHFFFAOYSA-N 0 0 193.290 2.901 10 0 AFAERN CCCC/C=C\CNc1cnn(C)c1 308574270 573403873 /nfs/dbraw/zinc/40/38/73/573403873.db2.gz CXWZMAZAUVKABH-SREVYHEPSA-N 0 0 193.294 2.578 10 0 AFAERN CCSCc1cccc2c1NCC2 258341403 573403950 /nfs/dbraw/zinc/40/39/50/573403950.db2.gz YVWZPTBZMLXOCY-UHFFFAOYSA-N 0 0 193.315 2.908 10 0 AFAERN CCCCNOCc1ccccc1 83116107 573404715 /nfs/dbraw/zinc/40/47/15/573404715.db2.gz GPNSNRWSOXMBLZ-UHFFFAOYSA-N 0 0 179.263 2.508 10 0 AFAERN CC(C)(C)/C=C/[S@@](=O)c1ccco1 205726263 573404773 /nfs/dbraw/zinc/40/47/73/573404773.db2.gz LVDKUPCIOHILKP-STMXVASLSA-N 0 0 198.287 2.947 10 0 AFAERN CCC[C@@H](C)CNc1cc(C)n(C)n1 133503096 573404792 /nfs/dbraw/zinc/40/47/92/573404792.db2.gz WHARIBMOMRCYEJ-SECBINFHSA-N 0 0 195.310 2.577 10 0 AFAERN C=C=C1CCC[C@@]12CCC(=O)[C@H]2C 238389938 573405460 /nfs/dbraw/zinc/40/54/60/573405460.db2.gz PNDKIPWNBJUVSL-SKDRFNHKSA-N 0 0 176.259 2.867 10 0 AFAERN C[C@@H]1C(=O)CCCCC1(C)C 238389556 573406029 /nfs/dbraw/zinc/40/60/29/573406029.db2.gz XLWFLZVZNXAKGM-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)Cc1cn2c(n1)CC[C@@H](C)C2 258494159 573407746 /nfs/dbraw/zinc/40/77/46/573407746.db2.gz RASURCFNWHKNIW-SNVBAGLBSA-N 0 0 192.306 2.664 10 0 AFAERN Cn1c(NC2CC2)cc2ccccc21 118502338 573407224 /nfs/dbraw/zinc/40/72/24/573407224.db2.gz OVPZLNQPULYWHR-UHFFFAOYSA-N 0 0 186.258 2.753 10 0 AFAERN CC(C)c1nc2c(s1)CCC[C@@H]2O 83117322 573407249 /nfs/dbraw/zinc/40/72/49/573407249.db2.gz JYTYVUNSRNEWRF-ZETCQYMHSA-N 0 0 197.303 2.636 10 0 AFAERN CCc1cc2cc(O)ccc2o1 118501451 573407315 /nfs/dbraw/zinc/40/73/15/573407315.db2.gz QZBHNPKXRKPRLV-UHFFFAOYSA-N 0 0 162.188 2.701 10 0 AFAERN CCC1([C@H](CC2(C)CCC2)NN)CC1 308576295 573407333 /nfs/dbraw/zinc/40/73/33/573407333.db2.gz MWKVKDBJOJGSRG-JTQLQIEISA-N 0 0 196.338 2.589 10 0 AFAERN CCCn1nccc1NC[C@H](C)CC 308576783 573407773 /nfs/dbraw/zinc/40/77/73/573407773.db2.gz DUTLZBPOFXAZQG-SNVBAGLBSA-N 0 0 195.310 2.751 10 0 AFAERN Cc1cc(C)c(N(C)C#N)c(Cl)c1 259097007 573407710 /nfs/dbraw/zinc/40/77/10/573407710.db2.gz ABKVVXOFTHADBA-UHFFFAOYSA-N 0 0 194.665 2.874 10 0 AFAERN CCCCC(=O)c1ccncc1F 133519567 573408178 /nfs/dbraw/zinc/40/81/78/573408178.db2.gz IDJCGBKLKJHLGQ-UHFFFAOYSA-N 0 0 181.210 2.594 10 0 AFAERN Cc1ccc(Cc2cccc(N)c2)o1 259102533 573408265 /nfs/dbraw/zinc/40/82/65/573408265.db2.gz KGURUXPXDYOURB-UHFFFAOYSA-N 0 0 187.242 2.761 10 0 AFAERN CC(C)(CF)c1cccc(N)c1 258646939 573408541 /nfs/dbraw/zinc/40/85/41/573408541.db2.gz ZGHFPNAEJKWATG-UHFFFAOYSA-N 0 0 167.227 2.516 10 0 AFAERN Cc1ccc(CC(C)(C)O)c(C)c1C 259102633 573408603 /nfs/dbraw/zinc/40/86/03/573408603.db2.gz KHPIVFJETMUAKG-UHFFFAOYSA-N 0 0 192.302 2.925 10 0 AFAERN Cc1ccc2[nH]c3c(c2c1)C[C@@H](C)C3=O 238469309 573408770 /nfs/dbraw/zinc/40/87/70/573408770.db2.gz GEJBAZVNHCMUPG-MRVPVSSYSA-N 0 0 199.253 2.851 10 0 AFAERN CS[C@@H]1NC=Cc2ccccc21 238388877 573408785 /nfs/dbraw/zinc/40/87/85/573408785.db2.gz GYQSGOONDMZVAK-JTQLQIEISA-N 0 0 177.272 2.622 10 0 AFAERN Cc1cc2c(O)ccc(C)c2o1 118501031 573408841 /nfs/dbraw/zinc/40/88/41/573408841.db2.gz IPGIPSNWIYCEDL-UHFFFAOYSA-N 0 0 162.188 2.755 10 0 AFAERN CCCCN(CC(F)F)CC1CC1 308385591 573409670 /nfs/dbraw/zinc/40/96/70/573409670.db2.gz WRSSJEFGPIEOSD-UHFFFAOYSA-N 0 0 191.265 2.764 10 0 AFAERN CCc1cc2c(O)cccc2o1 118493825 573409820 /nfs/dbraw/zinc/40/98/20/573409820.db2.gz XURWXUIEWDAXDF-UHFFFAOYSA-N 0 0 162.188 2.701 10 0 AFAERN COCC1(CC2(C(C)=O)CC2)CCC1 308578829 573409894 /nfs/dbraw/zinc/40/98/94/573409894.db2.gz OBLOMSBMUWKYOJ-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN COc1ccccc1[C@@H](O)C1CCC1 83120476 573411578 /nfs/dbraw/zinc/41/15/78/573411578.db2.gz RGRATGZEMLZRGR-LBPRGKRZSA-N 0 0 192.258 2.529 10 0 AFAERN CC(C)C[C@H](O)[C@@H]1Cc2ccccc21 83121032 573411598 /nfs/dbraw/zinc/41/15/98/573411598.db2.gz RQJZKHXWHGERJF-OLZOCXBDSA-N 0 0 190.286 2.733 10 0 AFAERN O[C@@H](c1ccccc1F)C1CCC1 83120762 573411609 /nfs/dbraw/zinc/41/16/09/573411609.db2.gz TYRHZIBCPOJFAN-LLVKDONJSA-N 0 0 180.222 2.659 10 0 AFAERN O[C@@H](c1c(F)cccc1F)C1CCC1 83120785 573411143 /nfs/dbraw/zinc/41/11/43/573411143.db2.gz HIENCDAFQPXFNG-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN O[C@@H](c1cccc(F)c1)C1CCC1 83120547 573411221 /nfs/dbraw/zinc/41/12/21/573411221.db2.gz KNLZEOYGIXOPMZ-LLVKDONJSA-N 0 0 180.222 2.659 10 0 AFAERN COc1ccc(O)cc1CC=C(C)C 238382309 573411237 /nfs/dbraw/zinc/41/12/37/573411237.db2.gz AMRHDANHZOKNBL-UHFFFAOYSA-N 0 0 192.258 2.910 10 0 AFAERN CCCCc1noc(CCCC)n1 308384818 573411339 /nfs/dbraw/zinc/41/13/39/573411339.db2.gz WIZIKNSTGSSRPE-UHFFFAOYSA-N 0 0 182.267 2.755 10 0 AFAERN CCC[C@@H](C)C[C@H](O)C1CCC1 83120827 573411373 /nfs/dbraw/zinc/41/13/73/573411373.db2.gz LIFDVNDKYBNYSS-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN O[C@H](C1CCCCC1)C1CCC1 83120545 573411635 /nfs/dbraw/zinc/41/16/35/573411635.db2.gz DDKCPFKKHIRJSW-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN COc1ccc(-c2ccno2)cc1C 259101989 573411435 /nfs/dbraw/zinc/41/14/35/573411435.db2.gz FLJICBOIMINSDS-UHFFFAOYSA-N 0 0 189.214 2.659 10 0 AFAERN CC(=O)O[C@@H](C)[C@H]1CC=C(C)C1(C)C 33506332 573411677 /nfs/dbraw/zinc/41/16/77/573411677.db2.gz FYGXDINYRBSPIK-GXSJLCMTSA-N 0 0 196.290 2.930 10 0 AFAERN CSc1ccc2ccc(N)cc2n1 238381943 573411704 /nfs/dbraw/zinc/41/17/04/573411704.db2.gz KYQKPIBQFQRNDC-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN CC/C=C\C(=O)OCCC1CCC1 308385269 573411729 /nfs/dbraw/zinc/41/17/29/573411729.db2.gz WNSPTWRAPMZILT-CLTKARDFSA-N 0 0 182.263 2.686 10 0 AFAERN Cc1cccc([C@H](O)C2CCC2)c1 83120599 573411749 /nfs/dbraw/zinc/41/17/49/573411749.db2.gz DJVWJZZIEUJXOB-GFCCVEGCSA-N 0 0 176.259 2.829 10 0 AFAERN CC(C)C[C@@H](O)[C@@H]1Cc2ccccc21 83121034 573411777 /nfs/dbraw/zinc/41/17/77/573411777.db2.gz RQJZKHXWHGERJF-CHWSQXEVSA-N 0 0 190.286 2.733 10 0 AFAERN Cc1ccccc1[C@H](O)C1CCC1 83120854 573411812 /nfs/dbraw/zinc/41/18/12/573411812.db2.gz CTWYCSXDVRMBFI-GFCCVEGCSA-N 0 0 176.259 2.829 10 0 AFAERN CN[C@H](CCCC(C)C)C(F)(F)F 133540720 573411890 /nfs/dbraw/zinc/41/18/90/573411890.db2.gz BJRACAHCTFBVAM-MRVPVSSYSA-N 0 0 197.244 2.963 10 0 AFAERN CC(C)CC[C@H](O)C1CCC1 83120773 573411902 /nfs/dbraw/zinc/41/19/02/573411902.db2.gz YWRJXGRDTGTZFN-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](C)N1CCOc2ccccc21 259443038 573413120 /nfs/dbraw/zinc/41/31/20/573413120.db2.gz VKLWUIIYLOAKHI-JTQLQIEISA-N 0 0 191.274 2.684 10 0 AFAERN Cc1cc(F)ccc1[C@@H](O)C1CCC1 83120580 573414553 /nfs/dbraw/zinc/41/45/53/573414553.db2.gz HRWXMLHMLQJDCF-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN CC(C)(C)[C@H](O)[C@@H]1Cc2ccccc21 83121227 573414501 /nfs/dbraw/zinc/41/45/01/573414501.db2.gz PVRIFYDICGGHAY-VXGBXAGGSA-N 0 0 190.286 2.733 10 0 AFAERN CC[C@H](C)C[C@@H](O)C1CCC1 83120680 573413124 /nfs/dbraw/zinc/41/31/24/573413124.db2.gz KCOGUPPWDDCEKF-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN O=C(CC1CC1)[C@@H]1Cc2ccccc21 83120364 573413133 /nfs/dbraw/zinc/41/31/33/573413133.db2.gz PSAHZFXXDHIGIW-GFCCVEGCSA-N 0 0 186.254 2.696 10 0 AFAERN O[C@H](c1ccccc1F)C1CCC1 83120764 573414528 /nfs/dbraw/zinc/41/45/28/573414528.db2.gz TYRHZIBCPOJFAN-NSHDSACASA-N 0 0 180.222 2.659 10 0 AFAERN CC[C@H](C)CC(=O)C1CCC1 83120308 573413148 /nfs/dbraw/zinc/41/31/48/573413148.db2.gz KGXUSYJJDWNYGM-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN Fc1cc(F)c2[nH]c3c(c2c1)CCC3 83119808 573413155 /nfs/dbraw/zinc/41/31/55/573413155.db2.gz BRRQQWUSVQEMIH-UHFFFAOYSA-N 0 0 193.196 2.935 10 0 AFAERN C[C@@H](CO)[Si](C)(C)C(C)(C)C 238381740 573413172 /nfs/dbraw/zinc/41/31/72/573413172.db2.gz OSCLORSYJTVCGX-QMMMGPOBSA-N 0 0 174.360 2.877 10 0 AFAERN COc1cccc([C@H](O)C2CCC2)c1 83120805 573413200 /nfs/dbraw/zinc/41/32/00/573413200.db2.gz ACIUSLDJXJIVKZ-GFCCVEGCSA-N 0 0 192.258 2.529 10 0 AFAERN O[C@H](CC1CCCC1)C1CCC1 83120509 573413229 /nfs/dbraw/zinc/41/32/29/573413229.db2.gz FESBCDACNYJGSS-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN O=C(c1ccoc1)[C@H]1Cc2ccccc21 83120355 573413258 /nfs/dbraw/zinc/41/32/58/573413258.db2.gz HLUCAJTTXPETAP-LBPRGKRZSA-N 0 0 198.221 2.802 10 0 AFAERN Cc1cc(F)ccc1[C@H](O)C1CCC1 83120577 573413283 /nfs/dbraw/zinc/41/32/83/573413283.db2.gz HRWXMLHMLQJDCF-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN CC(C)[C@H](c1ccccc1)[C@H](F)CO 308578581 573413290 /nfs/dbraw/zinc/41/32/90/573413290.db2.gz IQRDTNCRJMVKSA-VXGBXAGGSA-N 0 0 196.265 2.757 10 0 AFAERN O=C(CC1CC1)[C@H]1Cc2ccccc21 83120363 573413331 /nfs/dbraw/zinc/41/33/31/573413331.db2.gz PSAHZFXXDHIGIW-LBPRGKRZSA-N 0 0 186.254 2.696 10 0 AFAERN O[C@H](c1cccc(F)c1)C1CCC1 83120549 573413362 /nfs/dbraw/zinc/41/33/62/573413362.db2.gz KNLZEOYGIXOPMZ-NSHDSACASA-N 0 0 180.222 2.659 10 0 AFAERN CC(C)(C)C(=O)[C@H]1Cc2ccccc21 83120346 573414536 /nfs/dbraw/zinc/41/45/36/573414536.db2.gz SNTCXMXKAYHCJN-NSHDSACASA-N 0 0 188.270 2.942 10 0 AFAERN CC(C)C(=O)[C@@H]1Cc2ccccc21 83120359 573413467 /nfs/dbraw/zinc/41/34/67/573413467.db2.gz DOIJQDSPEKWSIO-LLVKDONJSA-N 0 0 174.243 2.551 10 0 AFAERN CC[C@H](C)C[C@H](O)C1CCC1 83120677 573413478 /nfs/dbraw/zinc/41/34/78/573413478.db2.gz KCOGUPPWDDCEKF-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CCNC(=O)[C@@H](CC(C)C)[C@H](C)CC 33506913 573413538 /nfs/dbraw/zinc/41/35/38/573413538.db2.gz QVCDGEQFSCTPBS-MNOVXSKESA-N 0 0 199.338 2.831 10 0 AFAERN C=Cc1cc2ccccc2cn1 118674349 573413611 /nfs/dbraw/zinc/41/36/11/573413611.db2.gz OJFXABGGUBLZIP-UHFFFAOYSA-N 0 0 155.200 2.878 10 0 AFAERN O[C@H](c1cccc(F)c1F)C1CCC1 83120589 573413673 /nfs/dbraw/zinc/41/36/73/573413673.db2.gz QWVYBBKIFVNSIQ-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN CC(C)(C)[C@@H](O)[C@H]1Cc2ccccc21 83121231 573413680 /nfs/dbraw/zinc/41/36/80/573413680.db2.gz PVRIFYDICGGHAY-RYUDHWBXSA-N 0 0 190.286 2.733 10 0 AFAERN CCc1cc(Cl)nc(C2CCC2)n1 83120206 573413706 /nfs/dbraw/zinc/41/37/06/573413706.db2.gz LUTDBYKQFAADOQ-UHFFFAOYSA-N 0 0 196.681 2.960 10 0 AFAERN CC1=C[C@@H]2C/C(=C/CO)C[C@H]2C1(C)C 308577637 573413727 /nfs/dbraw/zinc/41/37/27/573413727.db2.gz IGGOGXXKTMQICW-QJJZASRKSA-N 0 0 192.302 2.917 10 0 AFAERN CC(C)CCC(=O)C1CCC1 83120252 573414587 /nfs/dbraw/zinc/41/45/87/573414587.db2.gz SRWMJJGGOMLAAM-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN COc1ccc(CC=C(C)C)cc1O 238382710 573413766 /nfs/dbraw/zinc/41/37/66/573413766.db2.gz MVSUNKRCQUDKMJ-UHFFFAOYSA-N 0 0 192.258 2.910 10 0 AFAERN CC(C)C[C@@H](O)[C@H]1Cc2ccccc21 83121039 573413792 /nfs/dbraw/zinc/41/37/92/573413792.db2.gz RQJZKHXWHGERJF-QWHCGFSZSA-N 0 0 190.286 2.733 10 0 AFAERN O=C(CC1CCCC1)C1CCC1 83120281 573413803 /nfs/dbraw/zinc/41/38/03/573413803.db2.gz KJWLTLIDGMIXQQ-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN O[C@H](c1cc(F)cc(F)c1)C1CCC1 83120723 573413820 /nfs/dbraw/zinc/41/38/20/573413820.db2.gz JPPJZPDUDCWWTL-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN O[C@@H](c1cccc(F)c1F)C1CCC1 83120587 573413858 /nfs/dbraw/zinc/41/38/58/573413858.db2.gz QWVYBBKIFVNSIQ-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN CCc1ccc(C2(O)CC2)cc1C 258020378 573413870 /nfs/dbraw/zinc/41/38/70/573413870.db2.gz OCTAOMFSMWKTGY-UHFFFAOYSA-N 0 0 176.259 2.539 10 0 AFAERN O[C@@H](C1CCCCC1)C1CCC1 83120543 573413872 /nfs/dbraw/zinc/41/38/72/573413872.db2.gz DDKCPFKKHIRJSW-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@@H](C)C[C@@H](O)C1CCC1 83120679 573413877 /nfs/dbraw/zinc/41/38/77/573413877.db2.gz KCOGUPPWDDCEKF-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN CCCC(=O)[C@H]1Cc2ccccc21 83120343 573413981 /nfs/dbraw/zinc/41/39/81/573413981.db2.gz FCYWOSYMLDBXAR-NSHDSACASA-N 0 0 174.243 2.696 10 0 AFAERN CSCc1nc2cccc(F)c2o1 238381026 573413990 /nfs/dbraw/zinc/41/39/90/573413990.db2.gz MOOJXVBUAJWRMH-UHFFFAOYSA-N 0 0 197.234 2.830 10 0 AFAERN CCCCC(=O)C1CCC1 83120279 573414014 /nfs/dbraw/zinc/41/40/14/573414014.db2.gz FMZCVQLLKZFZJE-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN Cc1cnc(-c2ccccn2)s1 78273524 573414034 /nfs/dbraw/zinc/41/40/34/573414034.db2.gz XSBBPOBLZPOHNX-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN Cc1ccccc1[C@@H](O)C1CCC1 83120857 573414080 /nfs/dbraw/zinc/41/40/80/573414080.db2.gz CTWYCSXDVRMBFI-LBPRGKRZSA-N 0 0 176.259 2.829 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@H](O)C2CCC2)C1 83120802 573414121 /nfs/dbraw/zinc/41/41/21/573414121.db2.gz IQOGTMWUAYGUSC-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H](Nc1ccnc(F)c1)C1CCC1 124302762 573414187 /nfs/dbraw/zinc/41/41/87/573414187.db2.gz IRZDUDGNKAVKST-QMMMGPOBSA-N 0 0 194.253 2.821 10 0 AFAERN CO[C@H](C(=O)CC1(C)CCC1)C(C)C 308579878 573414614 /nfs/dbraw/zinc/41/46/14/573414614.db2.gz OPWQBWKYOYXXEH-NSHDSACASA-N 0 0 198.306 2.807 10 0 AFAERN CCCC[C@](C)(C(=O)NCC)C(C)C 33506920 573414314 /nfs/dbraw/zinc/41/43/14/573414314.db2.gz NBESHLYYMHCQHT-LBPRGKRZSA-N 0 0 199.338 2.975 10 0 AFAERN COc1ccc(O)cc1CC(C)C 238382250 573414438 /nfs/dbraw/zinc/41/44/38/573414438.db2.gz PHAJWMCOMQPBSD-UHFFFAOYSA-N 0 0 180.247 2.599 10 0 AFAERN CC[C@@H]1CCC[C@@H](CC)C1O 118612209 573414441 /nfs/dbraw/zinc/41/44/41/573414441.db2.gz JMCYQRANUQELIN-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)CC[C@@H](O)C1CCC1 83120775 573414480 /nfs/dbraw/zinc/41/44/80/573414480.db2.gz YWRJXGRDTGTZFN-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@H](c1c(F)cccc1F)C1CCC1 83120787 573414486 /nfs/dbraw/zinc/41/44/86/573414486.db2.gz HIENCDAFQPXFNG-NSHDSACASA-N 0 0 198.212 2.798 10 0 AFAERN O=C(c1ccco1)[C@@H]1Cc2ccccc21 83120441 573415009 /nfs/dbraw/zinc/41/50/09/573415009.db2.gz AKNVWJISBXOQDP-LLVKDONJSA-N 0 0 198.221 2.802 10 0 AFAERN CCNC(=O)[C@H](CC(C)C)[C@H](C)CC 33506917 573415015 /nfs/dbraw/zinc/41/50/15/573415015.db2.gz QVCDGEQFSCTPBS-GHMZBOCLSA-N 0 0 199.338 2.831 10 0 AFAERN O=C(c1ccoc1)[C@@H]1Cc2ccccc21 83120357 573415018 /nfs/dbraw/zinc/41/50/18/573415018.db2.gz HLUCAJTTXPETAP-GFCCVEGCSA-N 0 0 198.221 2.802 10 0 AFAERN COc1ccc(N)c([C@H]2CC2(C)C)c1 238384297 573415049 /nfs/dbraw/zinc/41/50/49/573415049.db2.gz BLOLYEYJRRAWOB-SNVBAGLBSA-N 0 0 191.274 2.791 10 0 AFAERN CCCC(=O)[C@@H]1Cc2ccccc21 83120342 573415083 /nfs/dbraw/zinc/41/50/83/573415083.db2.gz FCYWOSYMLDBXAR-LLVKDONJSA-N 0 0 174.243 2.696 10 0 AFAERN Cc1cn(CCC[C@H](C)O)c(C)c1C 308579158 573415101 /nfs/dbraw/zinc/41/51/01/573415101.db2.gz OEBVXPHCQDHVHK-JTQLQIEISA-N 0 0 195.306 2.574 10 0 AFAERN CCC(CC)[C@@H](O)c1ccncc1F 133528616 573415298 /nfs/dbraw/zinc/41/52/98/573415298.db2.gz WREJANHCATVWAM-LLVKDONJSA-N 0 0 197.253 2.690 10 0 AFAERN C=CC(=O)OC[C@H](C)CCCC 33506708 573415301 /nfs/dbraw/zinc/41/53/01/573415301.db2.gz LWZNQGJGMBRAII-SECBINFHSA-N 0 0 170.252 2.542 10 0 AFAERN O[C@@H](c1cc(F)cc(F)c1)C1CCC1 83120721 573415394 /nfs/dbraw/zinc/41/53/94/573415394.db2.gz JPPJZPDUDCWWTL-LLVKDONJSA-N 0 0 198.212 2.798 10 0 AFAERN COCC1(C[C@@H]2CCCC2=O)CCC1 308579914 573415423 /nfs/dbraw/zinc/41/54/23/573415423.db2.gz ORDXNCVDALFSPZ-JTQLQIEISA-N 0 0 196.290 2.562 10 0 AFAERN C/C=C/c1ccc(NCCCO)cc1 308579773 573416158 /nfs/dbraw/zinc/41/61/58/573416158.db2.gz GAUYUJSOOMDVIZ-DUXPYHPUSA-N 0 0 191.274 2.514 10 0 AFAERN COC(=O)c1ccc(C)c(SC)c1 238384197 573415477 /nfs/dbraw/zinc/41/54/77/573415477.db2.gz MOPUWCVWJGAEAH-UHFFFAOYSA-N 0 0 196.271 2.504 10 0 AFAERN CC[C@H]1CCC[C@H](CC)C1O 118612213 573415482 /nfs/dbraw/zinc/41/54/82/573415482.db2.gz JMCYQRANUQELIN-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN COCC1(C[C@H]2CCCC2=O)CCC1 308579915 573415540 /nfs/dbraw/zinc/41/55/40/573415540.db2.gz ORDXNCVDALFSPZ-SNVBAGLBSA-N 0 0 196.290 2.562 10 0 AFAERN COc1ccnc(C(F)F)c1Cl 238382993 573415582 /nfs/dbraw/zinc/41/55/82/573415582.db2.gz CKXBTJSEPAAEGH-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN CCCC[C@@](C)(C(=O)N(C)C)C(C)C 33506895 573415729 /nfs/dbraw/zinc/41/57/29/573415729.db2.gz RNTPPLUFUHIOOM-GFCCVEGCSA-N 0 0 199.338 2.927 10 0 AFAERN COC(=O)c1ccc(C)c2ccoc12 238384801 573415743 /nfs/dbraw/zinc/41/57/43/573415743.db2.gz SWFGBRNDPCZJNA-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN CCOC(=O)NCCC(CC)CC 308388187 573415771 /nfs/dbraw/zinc/41/57/71/573415771.db2.gz YHZSACRUKWFJBC-UHFFFAOYSA-N 0 0 187.283 2.559 10 0 AFAERN COc1cccc(OC)c1NC(C)C 238384338 573415819 /nfs/dbraw/zinc/41/58/19/573415819.db2.gz MBRVJSZJWLENGA-UHFFFAOYSA-N 0 0 195.262 2.524 10 0 AFAERN CCC(CC)[C@H](O)c1ccncc1F 133528381 573415853 /nfs/dbraw/zinc/41/58/53/573415853.db2.gz WREJANHCATVWAM-NSHDSACASA-N 0 0 197.253 2.690 10 0 AFAERN CCCC/C=C/[C@H]1C[C@H]1C(C)=O 238194171 573415864 /nfs/dbraw/zinc/41/58/64/573415864.db2.gz UWUUMAITUPWOHZ-JYLGIWJRSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)(O)[C@H]1CSc2ccccc21 258337074 573416005 /nfs/dbraw/zinc/41/60/05/573416005.db2.gz XMKLVGIYSWXHJE-VIFPVBQESA-N 0 0 194.299 2.647 10 0 AFAERN CC[C@H](C)COc1ccccc1N 50423226 573418453 /nfs/dbraw/zinc/41/84/53/573418453.db2.gz LBIFDQCXUQTRGF-VIFPVBQESA-N 0 0 179.263 2.694 10 0 AFAERN CCNC(=O)[C@H](CC(C)C)[C@@H](C)CC 33506910 573417243 /nfs/dbraw/zinc/41/72/43/573417243.db2.gz QVCDGEQFSCTPBS-WDEREUQCSA-N 0 0 199.338 2.831 10 0 AFAERN Cc1ccc2c(c1)[nH]c1cc(C=O)[nH]c12 259444603 573418103 /nfs/dbraw/zinc/41/81/03/573418103.db2.gz UYXBEZLBSNMAIG-UHFFFAOYSA-N 0 0 198.225 2.770 10 0 AFAERN C[C@@H](/C=C\c1ccccc1)/C=C/CO 308580456 573418116 /nfs/dbraw/zinc/41/81/16/573418116.db2.gz JLNCPPOCEJXLTF-KIVALVMBSA-N 0 0 188.270 2.884 10 0 AFAERN CC(C)(C)Nc1nc(C2CCC2)no1 83136406 573418228 /nfs/dbraw/zinc/41/82/28/573418228.db2.gz DTMGEIRGMYTWMK-UHFFFAOYSA-N 0 0 195.266 2.548 10 0 AFAERN CC1(C)CC=C(CCCO)CC1 118704304 573418411 /nfs/dbraw/zinc/41/84/11/573418411.db2.gz IHNRLOBJDTTWOA-UHFFFAOYSA-N 0 0 168.280 2.895 10 0 AFAERN COC(=O)c1ccc(C)cc1SC 238385350 573420221 /nfs/dbraw/zinc/42/02/21/573420221.db2.gz ZSPGQHKASYHORB-UHFFFAOYSA-N 0 0 196.271 2.504 10 0 AFAERN C[C@@H](O)c1ccc2c(c1F)CCCC2 238399386 573420231 /nfs/dbraw/zinc/42/02/31/573420231.db2.gz PGBYGINKFRVFKH-MRVPVSSYSA-N 0 0 194.249 2.758 10 0 AFAERN C[C@@H]1CCC2=C(CO)CCC[C@H]2C1 238399509 573420250 /nfs/dbraw/zinc/42/02/50/573420250.db2.gz QFVXFVGFORBUOE-ZJUUUORDSA-N 0 0 180.291 2.895 10 0 AFAERN Cc1oc([C@H](C)N)nc1C1CCCC1 258025227 573420061 /nfs/dbraw/zinc/42/00/61/573420061.db2.gz IFYZZWWRUNYYGD-ZETCQYMHSA-N 0 0 194.278 2.660 10 0 AFAERN Cc1cc(C)cc([C@@H](N)C(F)F)c1 83124664 573420137 /nfs/dbraw/zinc/42/01/37/573420137.db2.gz BGTLXAXYKYJLRN-SECBINFHSA-N 0 0 185.217 2.568 10 0 AFAERN CC(C)(C)COc1cccc(F)n1 118744054 573421355 /nfs/dbraw/zinc/42/13/55/573421355.db2.gz SIBPVSOZONGQPK-UHFFFAOYSA-N 0 0 183.226 2.646 10 0 AFAERN CC(C)[C@@H](O)[C@@H](C)Cc1cccs1 689953000 573421332 /nfs/dbraw/zinc/42/13/32/573421332.db2.gz YJCLBFRUKNHLCQ-GXSJLCMTSA-N 0 0 198.331 2.944 10 0 AFAERN CC(C)(C)Cc1ccc(CNO)cc1 258024664 573421344 /nfs/dbraw/zinc/42/13/44/573421344.db2.gz ILSFSPSQJOTUPW-UHFFFAOYSA-N 0 0 193.290 2.754 10 0 AFAERN C[C@@H]1CCC2=C(CO)CCC[C@@H]2C1 238399497 573421177 /nfs/dbraw/zinc/42/11/77/573421177.db2.gz QFVXFVGFORBUOE-NXEZZACHSA-N 0 0 180.291 2.895 10 0 AFAERN C[C@H]1C=Cc2ccc([C@@H](C)O)cc21 238399345 573421237 /nfs/dbraw/zinc/42/12/37/573421237.db2.gz VHUBGIUTBNOXQO-DTWKUNHWSA-N 0 0 174.243 2.870 10 0 AFAERN CCC[C@@](C)(CO)C1CCCC1 129990535 573421291 /nfs/dbraw/zinc/42/12/91/573421291.db2.gz YEPCWTADFDFHEY-NSHDSACASA-N 0 0 170.296 2.975 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]2CCCC[C@]21C 238390768 573422769 /nfs/dbraw/zinc/42/27/69/573422769.db2.gz HEIYAEHLGWVKAZ-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H](C)COc1ccc(N)cc1F 50423264 573422780 /nfs/dbraw/zinc/42/27/80/573422780.db2.gz AHZIDHSWRABVEY-MRVPVSSYSA-N 0 0 197.253 2.833 10 0 AFAERN CSc1ccc([C@H](C)O)c(C)c1 258024687 573422271 /nfs/dbraw/zinc/42/22/71/573422271.db2.gz IMQCNNBSTFMGJM-QMMMGPOBSA-N 0 0 182.288 2.770 10 0 AFAERN CC(C)(O)c1ccc2occc2c1F 258024679 573422355 /nfs/dbraw/zinc/42/23/55/573422355.db2.gz IMMUYCKUHLCMBI-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN Cc1cccc2c1CCC(=O)[C@H]2C 238390208 573422407 /nfs/dbraw/zinc/42/24/07/573422407.db2.gz OQXOJPNTHYFOMY-VIFPVBQESA-N 0 0 174.243 2.614 10 0 AFAERN CC[C@H](C)CC[C@@H](O)C(C)C 50428127 573422430 /nfs/dbraw/zinc/42/24/30/573422430.db2.gz MSDBCXHVDKLCCF-VHSXEESVSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)[C@@H](O)[C@H](C)Cc1cccs1 689953016 573422540 /nfs/dbraw/zinc/42/25/40/573422540.db2.gz YJCLBFRUKNHLCQ-MWLCHTKSSA-N 0 0 198.331 2.944 10 0 AFAERN CC[C@@H](C)CC[C@@H](O)C(C)C 50428125 573422656 /nfs/dbraw/zinc/42/26/56/573422656.db2.gz MSDBCXHVDKLCCF-NXEZZACHSA-N 0 0 158.285 2.830 10 0 AFAERN CC[C@@H](C[C@H](C)CC)[C@@H](C)O 50428105 573422757 /nfs/dbraw/zinc/42/27/57/573422757.db2.gz CUISXVJWGGCVBB-BBBLOLIVSA-N 0 0 158.285 2.830 10 0 AFAERN CS[C@@]1(C)C[C@H](O)CC(C)(C)C1 238391222 573422858 /nfs/dbraw/zinc/42/28/58/573422858.db2.gz BAYQITGEGBNXQG-SCZZXKLOSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@H]1C(=O)CCc2ccc(Cl)cc21 259444587 573422880 /nfs/dbraw/zinc/42/28/80/573422880.db2.gz UYDVJBAHCJKSNP-SSDOTTSWSA-N 0 0 194.661 2.959 10 0 AFAERN COCc1coc2ccc(F)cc12 258023935 573422952 /nfs/dbraw/zinc/42/29/52/573422952.db2.gz MLDHXRXQCGLSMJ-UHFFFAOYSA-N 0 0 180.178 2.718 10 0 AFAERN CC[C@@H](C)C[C@H]1CCCC[C@@H]1O 50428132 573422968 /nfs/dbraw/zinc/42/29/68/573422968.db2.gz DZVUYRSRMDBYHG-MXWKQRLJSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1coc([C@](C)(O)CC2CC2)c1 715805216 573426163 /nfs/dbraw/zinc/42/61/63/573426163.db2.gz AFWFAJUCVFVMLW-LLVKDONJSA-N 0 0 180.247 2.596 10 0 AFAERN C[C@@H]1C(=O)CC[C@]23CCCC[C@]12C3 238390187 573426182 /nfs/dbraw/zinc/42/61/82/573426182.db2.gz AQDFNQMRCFKASC-USWWRNFRSA-N 0 0 178.275 2.936 10 0 AFAERN CCCOc1cc2c(cc1N)CCC2 144144108 573426215 /nfs/dbraw/zinc/42/62/15/573426215.db2.gz FTJKRWLEDIXIGS-UHFFFAOYSA-N 0 0 191.274 2.546 10 0 AFAERN Cc1ccc(N)c(Nc2ccc[nH]2)c1 258649973 573426251 /nfs/dbraw/zinc/42/62/51/573426251.db2.gz AAPGPWUBIYOTFB-UHFFFAOYSA-N 0 0 187.246 2.649 10 0 AFAERN CCC(C)(C)c1ccc(CON)cc1 258027654 573426096 /nfs/dbraw/zinc/42/60/96/573426096.db2.gz IRSGYFDXSSXMGL-UHFFFAOYSA-N 0 0 193.290 2.765 10 0 AFAERN Clc1ccc2[nH]cnc2c1Cl 144264722 573426107 /nfs/dbraw/zinc/42/61/07/573426107.db2.gz XDKJYHWFRJWKOJ-UHFFFAOYSA-N 0 0 187.029 2.870 10 0 AFAERN Cc1ccc(C2=NC(=O)OC2C)cc1 257811298 573425353 /nfs/dbraw/zinc/42/53/53/573425353.db2.gz BCYPMMGCUGMXKQ-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN CS[C@@]1(C)C[C@@H](O)CC(C)(C)C1 238391197 573425435 /nfs/dbraw/zinc/42/54/35/573425435.db2.gz BAYQITGEGBNXQG-WPRPVWTQSA-N 0 0 188.336 2.679 10 0 AFAERN O[C@H](c1cccc(Cl)c1)C(F)F 83137822 573425439 /nfs/dbraw/zinc/42/54/39/573425439.db2.gz ZMQZZJOHZUMSSD-SSDOTTSWSA-N 0 0 192.592 2.639 10 0 AFAERN O[C@@H](c1cccc(Cl)c1)C(F)F 83137818 573425444 /nfs/dbraw/zinc/42/54/44/573425444.db2.gz ZMQZZJOHZUMSSD-ZETCQYMHSA-N 0 0 192.592 2.639 10 0 AFAERN C/C=C(\C)[C@H](O)c1cccc(OC)c1 238390247 573425449 /nfs/dbraw/zinc/42/54/49/573425449.db2.gz BDOSKIDZKYBRJB-KFRNIWOLSA-N 0 0 192.258 2.695 10 0 AFAERN COc1cc2c(cc1O)C=CCCC2 238390495 573425477 /nfs/dbraw/zinc/42/54/77/573425477.db2.gz BHUVHYXIDSATDL-UHFFFAOYSA-N 0 0 190.242 2.750 10 0 AFAERN CC[C@@H](C)c1ccc2c(c1)CC(=O)N2 83138180 573425583 /nfs/dbraw/zinc/42/55/83/573425583.db2.gz IKAFQGLCPOQVKM-MRVPVSSYSA-N 0 0 189.258 2.695 10 0 AFAERN O=C1CC[C@H](c2ccc(Cl)nc2)C1 118830137 573426143 /nfs/dbraw/zinc/42/61/43/573426143.db2.gz CZMKDIBSPZQOJW-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN O[C@@H](c1ccccc1Cl)C(F)F 83141938 573425626 /nfs/dbraw/zinc/42/56/26/573425626.db2.gz RGCZOKZDRSJHFL-ZETCQYMHSA-N 0 0 192.592 2.639 10 0 AFAERN CC(=O)C(F)(F)CC1CCCC1 257811442 573425683 /nfs/dbraw/zinc/42/56/83/573425683.db2.gz BBMJCALSCWGPAP-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN CC(C)C[C@H](CO)C1CCCC1 129997177 573425688 /nfs/dbraw/zinc/42/56/88/573425688.db2.gz SYAMEIOTOPYNJY-LLVKDONJSA-N 0 0 170.296 2.831 10 0 AFAERN C[C@@H]1C(=O)C[C@@]2(C)CCC[C@@]12C 238390854 573425741 /nfs/dbraw/zinc/42/57/41/573425741.db2.gz PFYDDPCFHQLGKX-IEBDPFPHSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(=O)c1ccc(Cl)c(OC)c1 83141992 573425747 /nfs/dbraw/zinc/42/57/47/573425747.db2.gz PNRKIECTQWBVHL-UHFFFAOYSA-N 0 0 198.649 2.941 10 0 AFAERN CCC(=C=C(C)CO)C(C)C 144193137 573425759 /nfs/dbraw/zinc/42/57/59/573425759.db2.gz SWUZMLOTZLRTBI-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN CCc1cc(C2(O)CC2)c(C)cc1F 258030168 573425822 /nfs/dbraw/zinc/42/58/22/573425822.db2.gz IVPGAXPBPVMEIG-UHFFFAOYSA-N 0 0 194.249 2.678 10 0 AFAERN C[C@H](F)c1ccc(O)c([C@H](C)CO)c1 258028582 573425941 /nfs/dbraw/zinc/42/59/41/573425941.db2.gz FALOEDUNRMPOAQ-SFYZADRCSA-N 0 0 198.237 2.519 10 0 AFAERN CCC(=O)c1c(C)c(C)cc(C)c1N 144149827 573425942 /nfs/dbraw/zinc/42/59/42/573425942.db2.gz JTEBUYKPFMYZNL-UHFFFAOYSA-N 0 0 191.274 2.787 10 0 AFAERN C/C=C1/CC[C@@H]2[C@@H](O)CCC[C@@]12C 144264300 573425957 /nfs/dbraw/zinc/42/59/57/573425957.db2.gz WXRWVZJUUDRYFG-JTPMTOLCSA-N 0 0 180.291 2.894 10 0 AFAERN C[C@H]1CC(C)(C)c2cc(O)ccc2N1 258028816 573425968 /nfs/dbraw/zinc/42/59/68/573425968.db2.gz OYLXNMVWZPJWBO-QMMMGPOBSA-N 0 0 191.274 2.874 10 0 AFAERN NOc1cccc(-c2ccccc2)c1 144149329 573426022 /nfs/dbraw/zinc/42/60/22/573426022.db2.gz AINXNKLPYUFGLY-UHFFFAOYSA-N 0 0 185.226 2.606 10 0 AFAERN CC(C)c1ccc([C@@H](C)NC=O)cc1 83145143 573428209 /nfs/dbraw/zinc/42/82/09/573428209.db2.gz KRPDFBFJBHJVJJ-SNVBAGLBSA-N 0 0 191.274 2.617 10 0 AFAERN CC(C)C(=C=CCO)c1ccccc1 144174229 573428958 /nfs/dbraw/zinc/42/89/58/573428958.db2.gz DUFRWMCZVFKHGP-UHFFFAOYSA-N 0 0 188.270 2.873 10 0 AFAERN CCc1cc(C(C)(C)C)nc(Cl)n1 224118738 573427859 /nfs/dbraw/zinc/42/78/59/573427859.db2.gz WBHYLOONDVSARP-UHFFFAOYSA-N 0 0 198.697 2.990 10 0 AFAERN Clc1cccc2c1[C@H]1C[C@H]1CN2 257811464 573427935 /nfs/dbraw/zinc/42/79/35/573427935.db2.gz BCOSXHACIBRISF-BQBZGAKWSA-N 0 0 179.650 2.869 10 0 AFAERN C[C@H]1C[C@@H](O)c2ccc(F)c(F)c21 235598719 573427949 /nfs/dbraw/zinc/42/79/49/573427949.db2.gz CSXFHDLKSRPBSZ-YLWLKBPMSA-N 0 0 184.185 2.505 10 0 AFAERN C[C@H](F)c1ccc(O)c([C@@H](C)CO)c1 258028585 573428058 /nfs/dbraw/zinc/42/80/58/573428058.db2.gz FALOEDUNRMPOAQ-YUMQZZPRSA-N 0 0 198.237 2.519 10 0 AFAERN Cc1cc(Cl)c(F)c(C=O)c1C 257811623 573428189 /nfs/dbraw/zinc/42/81/89/573428189.db2.gz BEYBGJQMYHUSNL-UHFFFAOYSA-N 0 0 186.613 2.908 10 0 AFAERN Clc1cccc2c1[C@@H]1C[C@@H]1CN2 257811466 573428266 /nfs/dbraw/zinc/42/82/66/573428266.db2.gz BCOSXHACIBRISF-RNFRBKRXSA-N 0 0 179.650 2.869 10 0 AFAERN Cc1coc([C@@](C)(O)CC2CC2)c1 715805217 573428361 /nfs/dbraw/zinc/42/83/61/573428361.db2.gz AFWFAJUCVFVMLW-NSHDSACASA-N 0 0 180.247 2.596 10 0 AFAERN CC[C@H](C)Oc1ccc2cc[nH]c2n1 144145636 573428377 /nfs/dbraw/zinc/42/83/77/573428377.db2.gz ULTYDYJUGAOSKP-QMMMGPOBSA-N 0 0 190.246 2.740 10 0 AFAERN CS[C@H](C)c1ccccc1O 238392960 573428384 /nfs/dbraw/zinc/42/83/84/573428384.db2.gz BGNLODPRUANUOG-SSDOTTSWSA-N 0 0 168.261 2.816 10 0 AFAERN C[C@H]1C[C@H](C)c2cc(O)ccc2N1 257811615 573428435 /nfs/dbraw/zinc/42/84/35/573428435.db2.gz BEGZKFQPIULHQY-YUMQZZPRSA-N 0 0 177.247 2.700 10 0 AFAERN C[C@H](O)c1cc(Cl)c(F)cc1F 258027486 573428487 /nfs/dbraw/zinc/42/84/87/573428487.db2.gz IPSCKSMIKSOPNO-BYPYZUCNSA-N 0 0 192.592 2.672 10 0 AFAERN COc1c(Cl)ccc2cc[nH]c12 238393019 573428552 /nfs/dbraw/zinc/42/85/52/573428552.db2.gz FJUHYJBJNVDTHI-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN C1=C2C[C@@H]3CC1C[C@H](C2)C3 78318467 573429178 /nfs/dbraw/zinc/42/91/78/573429178.db2.gz BZDWENUBDLILHM-RSMPGPOFSA-N 0 0 134.222 2.753 10 0 AFAERN CSc1ccc2ccnc(N)c2c1 118825095 573428641 /nfs/dbraw/zinc/42/86/41/573428641.db2.gz OTOUMYHKDQVPKS-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN COc1cc2c(cc1O)C[C@H](C)CC2 238392386 573428660 /nfs/dbraw/zinc/42/86/60/573428660.db2.gz GYZBFUJVQDPTON-MRVPVSSYSA-N 0 0 192.258 2.526 10 0 AFAERN CC(C)(F)Cc1cccc(CCO)c1 258027713 573428673 /nfs/dbraw/zinc/42/86/73/573428673.db2.gz ISTLGBGSIATBDV-UHFFFAOYSA-N 0 0 196.265 2.512 10 0 AFAERN C[C@H]1C[C@@H](C)Nc2ccc(O)cc21 257811613 573428815 /nfs/dbraw/zinc/42/88/15/573428815.db2.gz BEGZKFQPIULHQY-JGVFFNPUSA-N 0 0 177.247 2.700 10 0 AFAERN C[C@@H](O)c1ccoc1C[Si](C)(C)C 238392328 573428851 /nfs/dbraw/zinc/42/88/51/573428851.db2.gz YPHFUAPAMJTZTL-MRVPVSSYSA-N 0 0 198.338 2.753 10 0 AFAERN COC(=O)C/C=C\c1ccc(C)s1 258028867 573429189 /nfs/dbraw/zinc/42/91/89/573429189.db2.gz BWVFAVTVTNUVGL-ARJAWSKDSA-N 0 0 196.271 2.633 10 0 AFAERN CCC(C)(C)C1CCC(NC=O)CC1 83145106 573428988 /nfs/dbraw/zinc/42/89/88/573428988.db2.gz UWDILVYZHPHIEM-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](NC=O)c1ccc(Cl)cc1 83145257 573428992 /nfs/dbraw/zinc/42/89/92/573428992.db2.gz LCLZNDXYJISURB-JTQLQIEISA-N 0 0 197.665 2.537 10 0 AFAERN Fc1ccccc1NC1=NCCCC1 86454445 573429051 /nfs/dbraw/zinc/42/90/51/573429051.db2.gz DLZKGAXFJUJZGK-UHFFFAOYSA-N 0 0 192.237 2.820 10 0 AFAERN CC[C@H](NC=O)c1cccc(Cl)c1 83145120 573429272 /nfs/dbraw/zinc/42/92/72/573429272.db2.gz SWLRQTWHGAHIND-JTQLQIEISA-N 0 0 197.665 2.537 10 0 AFAERN Clc1cnc2ccnc(Cl)c2c1 144134326 573429364 /nfs/dbraw/zinc/42/93/64/573429364.db2.gz LLKSAEZFPYIDMW-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN CC[C@@H](NC=O)c1ccc(Cl)cc1 83145258 573429368 /nfs/dbraw/zinc/42/93/68/573429368.db2.gz LCLZNDXYJISURB-SNVBAGLBSA-N 0 0 197.665 2.537 10 0 AFAERN Oc1ccccc1C1=CCSC1 257812428 573429476 /nfs/dbraw/zinc/42/94/76/573429476.db2.gz BQIKLOCMPUGPGC-UHFFFAOYSA-N 0 0 178.256 2.522 10 0 AFAERN Cc1coc([C@@]2(O)CCC2(C)C)c1 715805301 573429533 /nfs/dbraw/zinc/42/95/33/573429533.db2.gz AXRAXJVNKOPESB-NSHDSACASA-N 0 0 180.247 2.596 10 0 AFAERN CC[C@@H](NC=O)c1cccc(Cl)c1 83145121 573429695 /nfs/dbraw/zinc/42/96/95/573429695.db2.gz SWLRQTWHGAHIND-SNVBAGLBSA-N 0 0 197.665 2.537 10 0 AFAERN C[C@@H](O)c1cc(Cl)c(F)cc1F 258027490 573429577 /nfs/dbraw/zinc/42/95/77/573429577.db2.gz IPSCKSMIKSOPNO-SCSAIBSYSA-N 0 0 192.592 2.672 10 0 AFAERN Oc1ccc([C@@H]2C[C@H]2C(F)F)cc1 257812435 573429602 /nfs/dbraw/zinc/42/96/02/573429602.db2.gz BQPWDROYTWLUMR-DTWKUNHWSA-N 0 0 184.185 2.761 10 0 AFAERN Oc1ccc([C@H]2C[C@@H]2C(F)F)cc1 257812434 573431519 /nfs/dbraw/zinc/43/15/19/573431519.db2.gz BQPWDROYTWLUMR-BDAKNGLRSA-N 0 0 184.185 2.761 10 0 AFAERN COc1ccc(CC2CCC2)c(N)c1 257812243 573431545 /nfs/dbraw/zinc/43/15/45/573431545.db2.gz BOXGRFASDOKTQJ-UHFFFAOYSA-N 0 0 191.274 2.620 10 0 AFAERN CCc1ccc([C@@H](C)O)cc1C 258031090 573431633 /nfs/dbraw/zinc/43/16/33/573431633.db2.gz PDDIBHSRHBJRED-SECBINFHSA-N 0 0 164.248 2.611 10 0 AFAERN COCCCCC(=O)[C@H]1CCC[C@@H]1C 308581517 573431704 /nfs/dbraw/zinc/43/17/04/573431704.db2.gz KAJPHQVJPUDVQM-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN COCCCCC(=O)[C@H]1CCC[C@H]1C 308581516 573431829 /nfs/dbraw/zinc/43/18/29/573431829.db2.gz KAJPHQVJPUDVQM-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN C[C@H](CO)c1ccc2occc2c1 258030830 573431920 /nfs/dbraw/zinc/43/19/20/573431920.db2.gz OZBDTSMWJZDKLP-MRVPVSSYSA-N 0 0 176.215 2.529 10 0 AFAERN COCCCCC(=O)[C@@H]1CCC[C@H]1C 308581515 573432138 /nfs/dbraw/zinc/43/21/38/573432138.db2.gz KAJPHQVJPUDVQM-GHMZBOCLSA-N 0 0 198.306 2.808 10 0 AFAERN C[C@@H]1C(=O)[C@@H](C)C2=C1CCCC2 238393676 573432157 /nfs/dbraw/zinc/43/21/57/573432157.db2.gz FEMRMUGDMZVNQH-YUMQZZPRSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc(C)c(NC=O)c(Cl)c1 83146307 573432267 /nfs/dbraw/zinc/43/22/67/573432267.db2.gz VEYYNQYKKZQDNI-UHFFFAOYSA-N 0 0 183.638 2.525 10 0 AFAERN Cc1cccc(C)c1SC[C@@H](C)O 238393649 573432302 /nfs/dbraw/zinc/43/23/02/573432302.db2.gz URVRDSLAGMNFJZ-SNVBAGLBSA-N 0 0 196.315 2.776 10 0 AFAERN Cc1c(Cl)c2ccccn2c1O 259449141 573432368 /nfs/dbraw/zinc/43/23/68/573432368.db2.gz KIMBBEUDHJHFMJ-UHFFFAOYSA-N 0 0 181.622 2.607 10 0 AFAERN CC(=O)c1ccc(-c2cnco2)cc1 118885618 573432656 /nfs/dbraw/zinc/43/26/56/573432656.db2.gz AGHWGPKGIWWOOR-UHFFFAOYSA-N 0 0 187.198 2.544 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)CCC2=O 257812286 573432825 /nfs/dbraw/zinc/43/28/25/573432825.db2.gz BQKVEHCQLQHGGQ-VIFPVBQESA-N 0 0 189.258 2.772 10 0 AFAERN CC1=CC[C@H](C)C(C)(C)[C@@H]1CO 118871503 573432846 /nfs/dbraw/zinc/43/28/46/573432846.db2.gz PKBSWHCLRBAHEE-VHSXEESVSA-N 0 0 168.280 2.607 10 0 AFAERN CSC1=N[C@@H](C)c2ccccc2N1 144295393 573432965 /nfs/dbraw/zinc/43/29/65/573432965.db2.gz JVVMQMVEJCQORB-ZETCQYMHSA-N 0 0 192.287 2.701 10 0 AFAERN C[C@@H](O)c1coc2c(F)cccc12 258030402 573433097 /nfs/dbraw/zinc/43/30/97/573433097.db2.gz ZAQVFFGXORAKGW-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN Cc1ccc2c(c1)cc([C@H](C)O)n2C 258030560 573433136 /nfs/dbraw/zinc/43/31/36/573433136.db2.gz ZDBOJRONNCOWAV-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN COC=C=C(C)[C@@H](O)C1CCCCC1 238395012 573433264 /nfs/dbraw/zinc/43/32/64/573433264.db2.gz OGPFFAYNUULFJZ-LESKNEHBSA-N 0 0 196.290 2.633 10 0 AFAERN COc1cc(CCC(C)C)ccc1N 308581536 573433414 /nfs/dbraw/zinc/43/34/14/573433414.db2.gz KBCAIJZGKMBTSC-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN C[C@H](O)c1coc2c(F)cccc12 258030400 573433439 /nfs/dbraw/zinc/43/34/39/573433439.db2.gz ZAQVFFGXORAKGW-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN CCc1cccc(C)c1NCOC 258649256 573433502 /nfs/dbraw/zinc/43/35/02/573433502.db2.gz MNBBPTQTLJTKDB-UHFFFAOYSA-N 0 0 179.263 2.573 10 0 AFAERN Nc1ccc2c(C3CCC3)noc2c1 257811812 573433566 /nfs/dbraw/zinc/43/35/66/573433566.db2.gz BISRXEUGWRUJJS-UHFFFAOYSA-N 0 0 188.230 2.678 10 0 AFAERN COc1ccc(SC)c(F)c1 238394200 573433777 /nfs/dbraw/zinc/43/37/77/573433777.db2.gz JBXNOHQRAGOWFK-UHFFFAOYSA-N 0 0 172.224 2.556 10 0 AFAERN CCC(=O)[C@H]1CC=C(C)C1(C)C 118869891 573433792 /nfs/dbraw/zinc/43/37/92/573433792.db2.gz FYTFEEDOWPNSJS-SECBINFHSA-N 0 0 166.264 2.958 10 0 AFAERN CSc1cc(CC(C)=O)ccc1C 258030352 573433844 /nfs/dbraw/zinc/43/38/44/573433844.db2.gz IZWREQOBCMBDCN-UHFFFAOYSA-N 0 0 194.299 2.848 10 0 AFAERN Cc1cc(O)cc2c(C)cc(O)cc12 144280383 573435063 /nfs/dbraw/zinc/43/50/63/573435063.db2.gz UMQWGNJXRJZREN-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN COc1cnc(C(F)F)c(C)c1C 238393789 573435101 /nfs/dbraw/zinc/43/51/01/573435101.db2.gz RKZSBLQGJLNAOG-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN Cc1ccc2cc([C@@H](C)O)oc2c1 238395024 573435173 /nfs/dbraw/zinc/43/51/73/573435173.db2.gz XFQJVGLUDFVULG-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN Cc1cc([C@H](C)C[C@@H](C)O)cc(C)n1 238394624 573435202 /nfs/dbraw/zinc/43/52/02/573435202.db2.gz FYCUSSQMNCYYQU-LDYMZIIASA-N 0 0 193.290 2.573 10 0 AFAERN COc1c(Cl)ccc2sncc12 238393599 573435248 /nfs/dbraw/zinc/43/52/48/573435248.db2.gz HZFHGNAGQHPCHW-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN C[C@@H]1C(=O)[C@@H]2CC[C@@]3(C)CCC[C@@]123 238393921 573435370 /nfs/dbraw/zinc/43/53/70/573435370.db2.gz OGUGJBXFTBHKMV-RBLKWDMZSA-N 0 0 178.275 2.792 10 0 AFAERN CC1=CC[C@@H](C)C(C)(C)[C@H]1CO 118871505 573435500 /nfs/dbraw/zinc/43/55/00/573435500.db2.gz PKBSWHCLRBAHEE-ZJUUUORDSA-N 0 0 168.280 2.607 10 0 AFAERN CCC(=O)[C@@H]1CC=C(C)C1(C)C 118869889 573435507 /nfs/dbraw/zinc/43/55/07/573435507.db2.gz FYTFEEDOWPNSJS-VIFPVBQESA-N 0 0 166.264 2.958 10 0 AFAERN C[C@@H](CO)c1ccc2occc2c1 258030835 573435622 /nfs/dbraw/zinc/43/56/22/573435622.db2.gz OZBDTSMWJZDKLP-QMMMGPOBSA-N 0 0 176.215 2.529 10 0 AFAERN O=CC=CCc1ccccc1 144281844 573436169 /nfs/dbraw/zinc/43/61/69/573436169.db2.gz IRNRLOWLUNXWBG-KBXRYBNXSA-N 0 0 146.189 2.772 10 0 AFAERN C/C=C(\C)[C@@H](O)c1cccc(OC)c1 238394464 573435693 /nfs/dbraw/zinc/43/56/93/573435693.db2.gz BDOSKIDZKYBRJB-OXFRDRNISA-N 0 0 192.258 2.695 10 0 AFAERN CCCC1([C@H](N)C(F)(F)F)CCC1 686125486 573435705 /nfs/dbraw/zinc/43/57/05/573435705.db2.gz AMJAZVRUBNEEGS-ZETCQYMHSA-N 0 0 195.228 2.846 10 0 AFAERN NCc1nc(C2CCCCCC2)co1 257812616 573435842 /nfs/dbraw/zinc/43/58/42/573435842.db2.gz BWDIHPDGZLUUGN-UHFFFAOYSA-N 0 0 194.278 2.571 10 0 AFAERN OC[C@@H]1CC[C@H]1c1cccc(Cl)c1 257812636 573435883 /nfs/dbraw/zinc/43/58/83/573435883.db2.gz BWIZUSDJUWAOPE-ONGXEEELSA-N 0 0 196.677 2.826 10 0 AFAERN CC[C@H]([NH3+])c1cc(Cl)cs1 144295441 573435941 /nfs/dbraw/zinc/43/59/41/573435941.db2.gz SZBOKDNGKWQTPM-LURJTMIESA-N 0 0 175.684 2.811 10 0 AFAERN C[C@@H](O)c1cc2cc(F)c(F)cc2o1 238394979 573435962 /nfs/dbraw/zinc/43/59/62/573435962.db2.gz UGWBFMHOCONFKE-RXMQYKEDSA-N 0 0 198.168 2.764 10 0 AFAERN CCN[C@@H](C[C@@H](C)CC)C(F)(F)F 126230161 573436048 /nfs/dbraw/zinc/43/60/48/573436048.db2.gz XMBPVQLSMLEABH-YUMQZZPRSA-N 0 0 197.244 2.963 10 0 AFAERN CC(C)(c1ccccc1O)C(F)F 257813148 573436077 /nfs/dbraw/zinc/43/60/77/573436077.db2.gz BYUZTZDCAJPPJH-UHFFFAOYSA-N 0 0 186.201 2.935 10 0 AFAERN CCCCC[C@@H](O)C[C@@H]1C=CCCO1 238215503 573436811 /nfs/dbraw/zinc/43/68/11/573436811.db2.gz BQOOEPVGZCTEGD-NEPJUHHUSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)(C)c1cc(=O)[nH]n1C(C)(C)C 257812580 573436596 /nfs/dbraw/zinc/43/65/96/573436596.db2.gz BVAQAFGTYJRNJQ-UHFFFAOYSA-N 0 0 196.294 2.641 10 0 AFAERN Cc1cnc(OC(C)C)n1C(C)C 258344722 573436726 /nfs/dbraw/zinc/43/67/26/573436726.db2.gz XZUCBMXAQOCLTK-UHFFFAOYSA-N 0 0 182.267 2.560 10 0 AFAERN CSc1cc(C)c(C)c(CO)c1 258021758 573437410 /nfs/dbraw/zinc/43/74/10/573437410.db2.gz IIWUKOCIOYUVBT-UHFFFAOYSA-N 0 0 182.288 2.518 10 0 AFAERN CC(=O)C[C@H](C)[C@@H]1CC=CCC1 238395763 573437430 /nfs/dbraw/zinc/43/74/30/573437430.db2.gz DFSNRLOCCCHWFJ-GXSJLCMTSA-N 0 0 166.264 2.958 10 0 AFAERN COC(=O)c1ccc2ccoc2c1C 118859552 573437450 /nfs/dbraw/zinc/43/74/50/573437450.db2.gz LWMCHLDGPDPPPH-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN Cc1nc(-c2cccc(O)c2)c(C)o1 257812903 573437455 /nfs/dbraw/zinc/43/74/55/573437455.db2.gz BXSVMCKEZJMNON-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN C[C@@H]1CC2=CC=CC=C[C@@]2(C)C1=O 238396908 573441055 /nfs/dbraw/zinc/44/10/55/573441055.db2.gz ABMVSPSZFZIVQQ-BXKDBHETSA-N 0 0 174.243 2.654 10 0 AFAERN COc1cnc(C(F)F)c(Cl)c1 238395737 573437551 /nfs/dbraw/zinc/43/75/51/573437551.db2.gz YMTICBUTVXNREC-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN Cc1cc(F)c([C@@H](C)CO)cc1C 258021701 573437663 /nfs/dbraw/zinc/43/76/63/573437663.db2.gz IHOGMNQMTMUQKE-VIFPVBQESA-N 0 0 182.238 2.538 10 0 AFAERN CC(C)C1=CCCC[C@@]1(C)CO 223074809 573437823 /nfs/dbraw/zinc/43/78/23/573437823.db2.gz NPPPRRUOMSIWNL-NSHDSACASA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)(O)c1cccc2scnc12 258021682 573437891 /nfs/dbraw/zinc/43/78/91/573437891.db2.gz IHGXYSWVCGDBLV-UHFFFAOYSA-N 0 0 193.271 2.524 10 0 AFAERN OC[C@H]1CC[C@@H]1c1cccc(Cl)c1 257812635 573437906 /nfs/dbraw/zinc/43/79/06/573437906.db2.gz BWIZUSDJUWAOPE-MWLCHTKSSA-N 0 0 196.677 2.826 10 0 AFAERN C[C@@H]1CCCC[C@H]2CC(=O)C[C@@H]21 238396076 573438025 /nfs/dbraw/zinc/43/80/25/573438025.db2.gz HCIZEVONYZVXAX-WCABBAIRSA-N 0 0 166.264 2.792 10 0 AFAERN ONCc1ccc(C2CCCC2)cc1 258021637 573438027 /nfs/dbraw/zinc/43/80/27/573438027.db2.gz IGBVQJCGBAHBHC-UHFFFAOYSA-N 0 0 191.274 2.823 10 0 AFAERN C[C@@H](O)c1ccc(C2(C)CC2)cc1 238395335 573438090 /nfs/dbraw/zinc/43/80/90/573438090.db2.gz WAITZRCIIYBTLY-SECBINFHSA-N 0 0 176.259 2.791 10 0 AFAERN C[C@@H](O)c1ccc(C2CC2)s1 238395403 573438128 /nfs/dbraw/zinc/43/81/28/573438128.db2.gz VOHVNZKXPXQRHD-ZCFIWIBFSA-N 0 0 168.261 2.679 10 0 AFAERN OC[C@H]1CC[C@H]1c1cccc(Cl)c1 257812634 573438187 /nfs/dbraw/zinc/43/81/87/573438187.db2.gz BWIZUSDJUWAOPE-KOLCDFICSA-N 0 0 196.677 2.826 10 0 AFAERN CCONCC1CCC(C(C)C)CC1 308582617 573438195 /nfs/dbraw/zinc/43/81/95/573438195.db2.gz KPPNLFRKSWJQLA-UHFFFAOYSA-N 0 0 199.338 2.990 10 0 AFAERN CCN[C@H](C[C@@H](C)CC)C(F)(F)F 126230515 573438219 /nfs/dbraw/zinc/43/82/19/573438219.db2.gz XMBPVQLSMLEABH-JGVFFNPUSA-N 0 0 197.244 2.963 10 0 AFAERN CCCC(=O)CCc1cccc(N)c1 126220379 573438725 /nfs/dbraw/zinc/43/87/25/573438725.db2.gz FCAMQJGOLHRRDU-UHFFFAOYSA-N 0 0 191.274 2.571 10 0 AFAERN CC(C)(O)c1coc2c(F)cccc12 258021620 573439191 /nfs/dbraw/zinc/43/91/91/573439191.db2.gz YMYMPFHAGVAPNW-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN Cc1c(Cl)cnc2c(O)cccc12 257812934 573438913 /nfs/dbraw/zinc/43/89/13/573438913.db2.gz BYFCMRCRWZRFJU-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1cnc2c(c1)C[C@@H](C)CC2 49804759 573438967 /nfs/dbraw/zinc/43/89/67/573438967.db2.gz CKANKFXXMJXJDP-QMMMGPOBSA-N 0 0 161.248 2.515 10 0 AFAERN O=Cc1nc(C2CCCCCC2)co1 257813345 573438975 /nfs/dbraw/zinc/43/89/75/573438975.db2.gz CCUCVIHPNBTZSL-UHFFFAOYSA-N 0 0 193.246 2.925 10 0 AFAERN Cc1cc(F)c([C@H](C)CO)cc1C 258021698 573439102 /nfs/dbraw/zinc/43/91/02/573439102.db2.gz IHOGMNQMTMUQKE-SECBINFHSA-N 0 0 182.238 2.538 10 0 AFAERN C[C@@H]1C(C)(C)[C@@]12CCCCC2=O 238395207 573439200 /nfs/dbraw/zinc/43/92/00/573439200.db2.gz HHHGMWBVXMKBDN-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN OC[C@@H]1CC[C@@H]1c1cccc(Cl)c1 257812633 573439257 /nfs/dbraw/zinc/43/92/57/573439257.db2.gz BWIZUSDJUWAOPE-GXSJLCMTSA-N 0 0 196.677 2.826 10 0 AFAERN COC(=O)c1cc2occc2cc1C 238396152 573439334 /nfs/dbraw/zinc/43/93/34/573439334.db2.gz MAPAJJAOWUXOOI-UHFFFAOYSA-N 0 0 190.198 2.528 10 0 AFAERN CC[NH2+][C@H](CC)c1ncccc1CC 126208714 573439630 /nfs/dbraw/zinc/43/96/30/573439630.db2.gz OFUMLXRFPJLQMQ-LLVKDONJSA-N 0 0 192.306 2.705 10 0 AFAERN Cc1cc2c(C(C)(C)O)cccc2[nH]1 258022138 573440251 /nfs/dbraw/zinc/44/02/51/573440251.db2.gz JODVICSBUIEBNC-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN COC=C=C(C)[C@H](O)C1CCCCC1 238395048 573439800 /nfs/dbraw/zinc/43/98/00/573439800.db2.gz OGPFFAYNUULFJZ-MYIOLCAUSA-N 0 0 196.290 2.633 10 0 AFAERN Cc1cnc2c(c1)C[C@H](C)CC2 49804760 573439832 /nfs/dbraw/zinc/43/98/32/573439832.db2.gz CKANKFXXMJXJDP-MRVPVSSYSA-N 0 0 161.248 2.515 10 0 AFAERN C[C@@H](O)c1cc2ccc(O)cc2s1 238395115 573439896 /nfs/dbraw/zinc/43/98/96/573439896.db2.gz UBUGHOHLINBANC-ZCFIWIBFSA-N 0 0 194.255 2.660 10 0 AFAERN CC(=O)C[C@]1(C)[C@H](C)C1(C)C 238395435 573439995 /nfs/dbraw/zinc/43/99/95/573439995.db2.gz FSQFOQBTWPXAAT-PSASIEDQSA-N 0 0 154.253 2.648 10 0 AFAERN CCN[C@@H](C[C@H](C)CC)C(F)(F)F 126229961 573440149 /nfs/dbraw/zinc/44/01/49/573440149.db2.gz XMBPVQLSMLEABH-SFYZADRCSA-N 0 0 197.244 2.963 10 0 AFAERN Cc1ccc2nc(Cl)c(O)cc2c1 258022215 573440259 /nfs/dbraw/zinc/44/02/59/573440259.db2.gz AIVNDQGYHJZVDF-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CO[C@H](C)C(C)(C)c1ccc(O)cc1 258021047 573440959 /nfs/dbraw/zinc/44/09/59/573440959.db2.gz HYPSZPBXZSDQGD-SECBINFHSA-N 0 0 194.274 2.705 10 0 AFAERN COC(=O)Nc1cc(C)c(C)cc1C 74984140 573440981 /nfs/dbraw/zinc/44/09/81/573440981.db2.gz ZNVCZTRUWDIPPS-UHFFFAOYSA-N 0 0 193.246 2.790 10 0 AFAERN CCCCC(=O)c1ccc(C)c(N)c1 126213806 573440986 /nfs/dbraw/zinc/44/09/86/573440986.db2.gz FWSGESNNLLDZLB-UHFFFAOYSA-N 0 0 191.274 2.950 10 0 AFAERN CC(C)(C)c1onc2ccc(N)cc12 257813647 573440817 /nfs/dbraw/zinc/44/08/17/573440817.db2.gz CHAWDQKBNXQDDW-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN CCOC(=O)Nc1ccc(F)c(C)c1 74982964 573440925 /nfs/dbraw/zinc/44/09/25/573440925.db2.gz CKWQGLQGXNJBFJ-UHFFFAOYSA-N 0 0 197.209 2.703 10 0 AFAERN CS[C@H]1NC=Cc2ccccc21 238396621 573441151 /nfs/dbraw/zinc/44/11/51/573441151.db2.gz GYQSGOONDMZVAK-SNVBAGLBSA-N 0 0 177.272 2.622 10 0 AFAERN C[C@@H]1CC2=C(CCCC2)C[C@H]1O 238396662 573441272 /nfs/dbraw/zinc/44/12/72/573441272.db2.gz NXJKUZSZHVWATK-LDYMZIIASA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CC=C2CCC[C@@H]2[C@@H](C)C1=O 238397452 573441500 /nfs/dbraw/zinc/44/15/00/573441500.db2.gz KUUDKEVPFTXJTN-FXPVBKGRSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1CC=C2CCCC[C@@H]2C1=O 238397344 573441505 /nfs/dbraw/zinc/44/15/05/573441505.db2.gz SMOXLCJKMYROQE-SCZZXKLOSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1CC2=C(CCCC2)C[C@@H]1O 238396647 573441516 /nfs/dbraw/zinc/44/15/16/573441516.db2.gz NXJKUZSZHVWATK-KCJUWKMLSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1C/C(=C\CO)CC(C)(C)C1 238396768 573441524 /nfs/dbraw/zinc/44/15/24/573441524.db2.gz CTMDCPXCSPVYPO-BZFUBLJMSA-N 0 0 168.280 2.751 10 0 AFAERN C=C/C=C/OC[C@@H]1CCCC[C@H]1CO 308586027 573442416 /nfs/dbraw/zinc/44/24/16/573442416.db2.gz MFNPLMBBLGXKAG-MXXBKRELSA-N 0 0 196.290 2.501 10 0 AFAERN C[C@@H]1CC2=CC=CC=C[C@]2(C)C1=O 238396921 573442477 /nfs/dbraw/zinc/44/24/77/573442477.db2.gz ABMVSPSZFZIVQQ-SKDRFNHKSA-N 0 0 174.243 2.654 10 0 AFAERN C[C@@H]1CC=C2CCC[C@H]2[C@@H](C)C1=O 238397467 573442594 /nfs/dbraw/zinc/44/25/94/573442594.db2.gz KUUDKEVPFTXJTN-KKZNHRDASA-N 0 0 178.275 2.958 10 0 AFAERN CC1(C)C(C)(C)C1(F)F 144218410 573442650 /nfs/dbraw/zinc/44/26/50/573442650.db2.gz LMSFYDRALMLFNG-UHFFFAOYSA-N 0 0 134.169 2.688 10 0 AFAERN C[C@@H]1CC=C2CCCC[C@H]2C1=O 238397409 573442680 /nfs/dbraw/zinc/44/26/80/573442680.db2.gz SMOXLCJKMYROQE-PSASIEDQSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc2cc([C@H](C)O)ccc2n1C 258022459 573442693 /nfs/dbraw/zinc/44/26/93/573442693.db2.gz JPTHUIHXQXBDEU-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN COC(=O)Nc1ccc(SC)cc1 74984995 573442697 /nfs/dbraw/zinc/44/26/97/573442697.db2.gz JCBZWEUVQYMCHB-UHFFFAOYSA-N 0 0 197.259 2.587 10 0 AFAERN C[C@@H]1CCCC[C@]12CCC[C@@H]2O 238397799 573442736 /nfs/dbraw/zinc/44/27/36/573442736.db2.gz DPRVEZUZLORABT-VWYCJHECSA-N 0 0 168.280 2.728 10 0 AFAERN COCCCCC(=O)C1(C)CCCC1 308586502 573443044 /nfs/dbraw/zinc/44/30/44/573443044.db2.gz MNPAFCNNIJXGGJ-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN C/C=C\C[C@H](C(C)C)[C@@H](C)O 213012980 573442859 /nfs/dbraw/zinc/44/28/59/573442859.db2.gz INCYAYFTBSUPEX-KWMOZEJZSA-N 0 0 156.269 2.606 10 0 AFAERN CCO[C@@H](C(C)=O)C1CCCCC1 138170791 573442865 /nfs/dbraw/zinc/44/28/65/573442865.db2.gz NOPRGJHIJLJPQG-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN C[C@H](F)c1nc2ccccc2[nH]1 107255548 573442905 /nfs/dbraw/zinc/44/29/05/573442905.db2.gz FYHXIYWFEXDYGA-LURJTMIESA-N 0 0 164.183 2.593 10 0 AFAERN Fc1ccc2c(c1)NCC21CCC1 107252421 573442945 /nfs/dbraw/zinc/44/29/45/573442945.db2.gz YIYSWSVRCDDFNS-UHFFFAOYSA-N 0 0 177.222 2.673 10 0 AFAERN C[C@@H]1CC2=C(CCCCC2)[C@@H]1O 238396721 573442993 /nfs/dbraw/zinc/44/29/93/573442993.db2.gz ILELJPXSPLIERO-LDYMZIIASA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H](F)c1nc2ccccc2[nH]1 107255551 573443706 /nfs/dbraw/zinc/44/37/06/573443706.db2.gz FYHXIYWFEXDYGA-ZCFIWIBFSA-N 0 0 164.183 2.593 10 0 AFAERN CCN(CC)OCC1CCCCC1 308390574 573443760 /nfs/dbraw/zinc/44/37/60/573443760.db2.gz ZHMFRMZIHLRIGX-UHFFFAOYSA-N 0 0 185.311 2.840 10 0 AFAERN COc1ccc(CSC)c(C)c1O 238397850 573443792 /nfs/dbraw/zinc/44/37/92/573443792.db2.gz FQOWZLPXXIWOEZ-UHFFFAOYSA-N 0 0 198.287 2.572 10 0 AFAERN CO[C@H](C)c1cc(Cl)ccc1O 238396904 573444010 /nfs/dbraw/zinc/44/40/10/573444010.db2.gz KSOQGVKVUIYPQV-ZCFIWIBFSA-N 0 0 186.638 2.753 10 0 AFAERN C[C@@H]1CC=Cc2ccccc2C1=O 238397724 573444044 /nfs/dbraw/zinc/44/40/44/573444044.db2.gz OXLKMASSBKQGES-SECBINFHSA-N 0 0 172.227 2.922 10 0 AFAERN CNc1c(C2CCCCC2)n[nH]c1C 259103548 573444068 /nfs/dbraw/zinc/44/40/68/573444068.db2.gz HNSDNQNSBIFSMX-UHFFFAOYSA-N 0 0 193.294 2.808 10 0 AFAERN C[C@@H]1c2c(O)cccc2NC1(C)C 258022770 573444117 /nfs/dbraw/zinc/44/41/17/573444117.db2.gz DHMAQMBIGJVVDU-SSDOTTSWSA-N 0 0 177.247 2.700 10 0 AFAERN Cc1nc(C2CCCCCCC2)n[nH]1 83187940 573444403 /nfs/dbraw/zinc/44/44/03/573444403.db2.gz RHTMVIMIBMVVIF-UHFFFAOYSA-N 0 0 193.294 2.941 10 0 AFAERN Cc1nc(C)c(-c2ccc(N)cc2)o1 107252664 573444470 /nfs/dbraw/zinc/44/44/70/573444470.db2.gz WHYKZBUOYFFDID-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN FC(F)c1ccc2c(c1)CCN2 107255575 573444488 /nfs/dbraw/zinc/44/44/88/573444488.db2.gz WJICQYFYGYUANY-UHFFFAOYSA-N 0 0 169.174 2.592 10 0 AFAERN C[C@H]1c2c(O)cccc2NC1(C)C 258022772 573444524 /nfs/dbraw/zinc/44/45/24/573444524.db2.gz DHMAQMBIGJVVDU-ZETCQYMHSA-N 0 0 177.247 2.700 10 0 AFAERN CCCc1ccc(NC(=O)OC)cc1 74983204 573444585 /nfs/dbraw/zinc/44/45/85/573444585.db2.gz ZMDRBGBDXMTPFV-UHFFFAOYSA-N 0 0 193.246 2.817 10 0 AFAERN COCc1c[nH]c2cccc(Cl)c12 258657595 573445660 /nfs/dbraw/zinc/44/56/60/573445660.db2.gz LZNDOYCYIYBCDU-UHFFFAOYSA-N 0 0 195.649 2.968 10 0 AFAERN C[C@@H]1c2c(Cl)cccc2CC[C@@H]1O 259451898 573447077 /nfs/dbraw/zinc/44/70/77/573447077.db2.gz VMSRLIMNRCDBRD-XVKPBYJWSA-N 0 0 196.677 2.751 10 0 AFAERN Cc1coc(C(O)(C2CC2)C2CC2)c1 715808250 573447097 /nfs/dbraw/zinc/44/70/97/573447097.db2.gz SJMALJRDARSSEB-UHFFFAOYSA-N 0 0 192.258 2.596 10 0 AFAERN CC[C@@H]1CCC=CC[C@H](O)[C@@H](CC)O1 308588639 573447185 /nfs/dbraw/zinc/44/71/85/573447185.db2.gz NLOHCKVONBYWNS-GRYCIOLGSA-N 0 0 198.306 2.661 10 0 AFAERN C[C@@H]1CCC(=O)[C@H]2CCC[C@@H]2C1 238398192 573447226 /nfs/dbraw/zinc/44/72/26/573447226.db2.gz INKCJQRDFJHBEA-BBBLOLIVSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1coc([C@H](O)CC(C)C)c1 715807307 573447255 /nfs/dbraw/zinc/44/72/55/573447255.db2.gz NLYJGZFOMPXYHC-SECBINFHSA-N 0 0 168.236 2.668 10 0 AFAERN Nc1ccc([C@@H](F)C2CC2)cc1 107256054 573447257 /nfs/dbraw/zinc/44/72/57/573447257.db2.gz MLHVEXHNIUMWER-JTQLQIEISA-N 0 0 165.211 2.689 10 0 AFAERN COC(=O)Nc1coc2ccccc12 258655103 573447323 /nfs/dbraw/zinc/44/73/23/573447323.db2.gz BCDNSQHJPOSANC-UHFFFAOYSA-N 0 0 191.186 2.611 10 0 AFAERN CO[C@@H]1CCCC/C1=C/Cl 238399288 573447335 /nfs/dbraw/zinc/44/73/35/573447335.db2.gz ZMNVEDWBMHDCDS-NFXKFNAJSA-N 0 0 160.644 2.698 10 0 AFAERN Nc1ccc(C(F)(F)C2CC2)cc1 107256045 573447423 /nfs/dbraw/zinc/44/74/23/573447423.db2.gz ZLUYAIYFLVCJDE-UHFFFAOYSA-N 0 0 183.201 2.771 10 0 AFAERN Cc1ccc([C@@H](C)O)c2c1CCC2 258037717 573447534 /nfs/dbraw/zinc/44/75/34/573447534.db2.gz PVYJDGLNFBJXIO-SECBINFHSA-N 0 0 176.259 2.537 10 0 AFAERN CC[C@@H]1O[C@H](CC)CCC=CC[C@H]1O 308588641 573447626 /nfs/dbraw/zinc/44/76/26/573447626.db2.gz NLOHCKVONBYWNS-UTUOFQBUSA-N 0 0 198.306 2.661 10 0 AFAERN C[C@@H]1CCC[C@@H](C)C1n1cccn1 238406088 573447658 /nfs/dbraw/zinc/44/76/58/573447658.db2.gz KBMIVWGVJUTTRC-NXEZZACHSA-N 0 0 178.279 2.880 10 0 AFAERN COc1cc2cnsc2cc1C 238405938 573447690 /nfs/dbraw/zinc/44/76/90/573447690.db2.gz GPIQYIPRQCTQOP-UHFFFAOYSA-N 0 0 179.244 2.613 10 0 AFAERN CC(C)c1cncc(CC(C)(C)O)c1 259451907 573447717 /nfs/dbraw/zinc/44/77/17/573447717.db2.gz VNEGUOZIWOTRFJ-UHFFFAOYSA-N 0 0 193.290 2.518 10 0 AFAERN C=CC1=C[C@@H](C)[C@@H](C(C)=O)CC1 238398877 573449697 /nfs/dbraw/zinc/44/96/97/573449697.db2.gz VRLDUSXJYXCVGK-KCJUWKMLSA-N 0 0 164.248 2.734 10 0 AFAERN COc1c(Cl)cncc1C(F)F 238398200 573447853 /nfs/dbraw/zinc/44/78/53/573447853.db2.gz OMQHUSBCABIDOC-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN CC1(C)C(=O)CCc2ccc(F)cc21 259103407 573447998 /nfs/dbraw/zinc/44/79/98/573447998.db2.gz DTPNXLZQZUEBDF-UHFFFAOYSA-N 0 0 192.233 2.619 10 0 AFAERN C[C@@H]1CCC(c2ccccc2)=C[C@H]1O 238398578 573448046 /nfs/dbraw/zinc/44/80/46/573448046.db2.gz PGHGAGRJUMQBJD-ZWNOBZJWSA-N 0 0 188.270 2.861 10 0 AFAERN C[C@@H]1CCC(c2ccccc2)=C[C@@H]1O 238398562 573448103 /nfs/dbraw/zinc/44/81/03/573448103.db2.gz PGHGAGRJUMQBJD-MFKMUULPSA-N 0 0 188.270 2.861 10 0 AFAERN CS[C@]1(C)CCCCC(=O)C1 238398482 573448136 /nfs/dbraw/zinc/44/81/36/573448136.db2.gz RRPCRBWZDGWRRM-SECBINFHSA-N 0 0 172.293 2.641 10 0 AFAERN CC/C=C/CCOc1nccnc1C 135984805 573448256 /nfs/dbraw/zinc/44/82/56/573448256.db2.gz UORAVLUKRGBLPV-SNAWJCMRSA-N 0 0 192.262 2.520 10 0 AFAERN C=CC1=C[C@@H](C)[C@H](C(C)=O)CC1 238398887 573448340 /nfs/dbraw/zinc/44/83/40/573448340.db2.gz VRLDUSXJYXCVGK-LDYMZIIASA-N 0 0 164.248 2.734 10 0 AFAERN C=Cc1ccc2c(c1)N[C@H](C)C2 238406114 573448349 /nfs/dbraw/zinc/44/83/49/573448349.db2.gz LAGDPZAOSDGQIS-MRVPVSSYSA-N 0 0 159.232 2.686 10 0 AFAERN CC(C)(F)c1nc2ccccc2[nH]1 107255934 573448362 /nfs/dbraw/zinc/44/83/62/573448362.db2.gz FVHQAAPUMQHZIE-UHFFFAOYSA-N 0 0 178.210 2.768 10 0 AFAERN Nc1cccc(C2=CCSCC2)c1 257816404 573448466 /nfs/dbraw/zinc/44/84/66/573448466.db2.gz DLBCHBDMSVOMKM-UHFFFAOYSA-N 0 0 191.299 2.789 10 0 AFAERN CS[C@]1(C(C)C)S[C@@H]1C 238398240 573448788 /nfs/dbraw/zinc/44/87/88/573448788.db2.gz YURSPENUFMOQSW-RNFRBKRXSA-N 0 0 162.323 2.837 10 0 AFAERN COc1cc(N)cc2ccc(C)cc12 257816704 573448870 /nfs/dbraw/zinc/44/88/70/573448870.db2.gz DIDVQBBPYBMKOP-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN COC1(c2cccc(C(C)=O)c2)CC1 259450028 573449013 /nfs/dbraw/zinc/44/90/13/573449013.db2.gz MKKRRJMEDQWTNI-UHFFFAOYSA-N 0 0 190.242 2.525 10 0 AFAERN CCc1ccc2nc(OC)sc2c1 224900846 573449050 /nfs/dbraw/zinc/44/90/50/573449050.db2.gz XGCVMTYDDCQEEB-UHFFFAOYSA-N 0 0 193.271 2.867 10 0 AFAERN CC[C@@H]1CCC=CC[C@@H](O)[C@@H](CC)O1 308588640 573449129 /nfs/dbraw/zinc/44/91/29/573449129.db2.gz NLOHCKVONBYWNS-IJLUTSLNSA-N 0 0 198.306 2.661 10 0 AFAERN C[C@H]1c2c(Cl)cccc2CC[C@@H]1O 259451896 573449150 /nfs/dbraw/zinc/44/91/50/573449150.db2.gz VMSRLIMNRCDBRD-XCBNKYQSSA-N 0 0 196.677 2.751 10 0 AFAERN C/C=C\c1c(O)cnc2ccccc12 214897288 573449315 /nfs/dbraw/zinc/44/93/15/573449315.db2.gz KGHFOHULRWAUSV-DJWKRKHSSA-N 0 0 185.226 2.974 10 0 AFAERN CS[C@]1(C)C[C@H](O)CC(C)(C)C1 238398656 573449685 /nfs/dbraw/zinc/44/96/85/573449685.db2.gz BAYQITGEGBNXQG-PSASIEDQSA-N 0 0 188.336 2.679 10 0 AFAERN CCCCn1ncc(NCC)c1CC 308588564 573449819 /nfs/dbraw/zinc/44/98/19/573449819.db2.gz JJHIGHFSVRJZRP-UHFFFAOYSA-N 0 0 195.310 2.677 10 0 AFAERN C[C@@H]1CCC[C@H]([C@@H](O)CC2CC2)C1 224906905 573449867 /nfs/dbraw/zinc/44/98/67/573449867.db2.gz ZDWYSZCEOOCKCL-USWWRNFRSA-N 0 0 182.307 2.974 10 0 AFAERN Cc1coc([C@@H](O)[C@@H]2CC=CCC2)c1 715809122 573450145 /nfs/dbraw/zinc/45/01/45/573450145.db2.gz ZWUIPDZFKWTVAG-PWSUYJOCSA-N 0 0 192.258 2.978 10 0 AFAERN CS[C@]1(C)C[C@@H](O)CC(C)(C)C1 238398630 573450193 /nfs/dbraw/zinc/45/01/93/573450193.db2.gz BAYQITGEGBNXQG-WCBMZHEXSA-N 0 0 188.336 2.679 10 0 AFAERN COc1ccc2cc3n(c2c1)CC=C3 238405911 573450209 /nfs/dbraw/zinc/45/02/09/573450209.db2.gz LFRMAHHZIZNEGL-UHFFFAOYSA-N 0 0 185.226 2.677 10 0 AFAERN COc1cc2cnsc2cc1Cl 238405976 573450246 /nfs/dbraw/zinc/45/02/46/573450246.db2.gz HQZXPRTYWWXDPQ-UHFFFAOYSA-N 0 0 199.662 2.958 10 0 AFAERN CC1=CC[C@H](C[C@H](C)NC=O)C1(C)C 238398938 573450345 /nfs/dbraw/zinc/45/03/45/573450345.db2.gz SPYRBIFTKGSILP-WDEREUQCSA-N 0 0 195.306 2.503 10 0 AFAERN Fc1ccc2c(c1)C(F)(F)CCN2 107258018 573450373 /nfs/dbraw/zinc/45/03/73/573450373.db2.gz ZAXXKVOPOVEYGV-UHFFFAOYSA-N 0 0 187.164 2.733 10 0 AFAERN Cc1c(C2CCC2)[nH]c2nccnc12 142567698 573450420 /nfs/dbraw/zinc/45/04/20/573450420.db2.gz ZPTFSWCFGGJIAK-UHFFFAOYSA-N 0 0 187.246 2.534 10 0 AFAERN CC(=C=C[Si](C)(C)C)[C@H](C)[C@@H](C)O 238406104 573450460 /nfs/dbraw/zinc/45/04/60/573450460.db2.gz UUJSCPNYDDSAJE-ZJVIIBSASA-N 0 0 198.382 2.982 10 0 AFAERN C[C@H]1c2c(Cl)cccc2CC[C@H]1O 259451893 573450561 /nfs/dbraw/zinc/45/05/61/573450561.db2.gz VMSRLIMNRCDBRD-GMSGAONNSA-N 0 0 196.677 2.751 10 0 AFAERN CC(C)(C)C(C)(C)c1c[nH]cn1 142530545 573450563 /nfs/dbraw/zinc/45/05/63/573450563.db2.gz FQVXWWJBJOOQJF-UHFFFAOYSA-N 0 0 166.268 2.733 10 0 AFAERN C[C@@H](F)c1ccccc1 107259916 573450579 /nfs/dbraw/zinc/45/05/79/573450579.db2.gz SRBHAKGUAAXXEX-SSDOTTSWSA-N 0 0 124.158 2.717 10 0 AFAERN Fc1ccc2c(c1)[C@@H](F)CCN2 107258378 573450625 /nfs/dbraw/zinc/45/06/25/573450625.db2.gz FNQCVXWZAXFQOT-QMMMGPOBSA-N 0 0 169.174 2.652 10 0 AFAERN C[C@H](F)c1ccccc1 107259913 573450666 /nfs/dbraw/zinc/45/06/66/573450666.db2.gz SRBHAKGUAAXXEX-ZETCQYMHSA-N 0 0 124.158 2.717 10 0 AFAERN Cc1ccc([C@H](C)O)c2c1CCC2 258037721 573450786 /nfs/dbraw/zinc/45/07/86/573450786.db2.gz PVYJDGLNFBJXIO-VIFPVBQESA-N 0 0 176.259 2.537 10 0 AFAERN Fc1ccc2c(c1)[C@H](F)CCN2 107258375 573450929 /nfs/dbraw/zinc/45/09/29/573450929.db2.gz FNQCVXWZAXFQOT-MRVPVSSYSA-N 0 0 169.174 2.652 10 0 AFAERN CC/C=C\c1ccc(O)cc1 78373093 573450934 /nfs/dbraw/zinc/45/09/34/573450934.db2.gz AWNHCKLJXWHSSM-ARJAWSKDSA-N 0 0 148.205 2.815 10 0 AFAERN CSc1c(C)cc(C)cc1N 238401105 573451020 /nfs/dbraw/zinc/45/10/20/573451020.db2.gz WIYOBQVFYVLVRW-UHFFFAOYSA-N 0 0 167.277 2.608 10 0 AFAERN CC(=O)c1ccc2c(c1)[C@H](F)CCO2 107256718 573451131 /nfs/dbraw/zinc/45/11/31/573451131.db2.gz MZZKEEFHLIZQFD-SNVBAGLBSA-N 0 0 194.205 2.682 10 0 AFAERN C[C@@H](F)c1ccc2c(c1)NCCO2 107257827 573451229 /nfs/dbraw/zinc/45/12/29/573451229.db2.gz RWFDAGCGFOXOJB-SSDOTTSWSA-N 0 0 181.210 2.521 10 0 AFAERN CCCc1cccc([C@H](F)CO)c1 257816991 573451324 /nfs/dbraw/zinc/45/13/24/573451324.db2.gz BYGBCKXMPIOXDW-LLVKDONJSA-N 0 0 182.238 2.642 10 0 AFAERN Cc1coc([C@H](O)[C@H]2CC=CCC2)c1 715809107 573451609 /nfs/dbraw/zinc/45/16/09/573451609.db2.gz ZWUIPDZFKWTVAG-CMPLNLGQSA-N 0 0 192.258 2.978 10 0 AFAERN CC(=O)C[C@H]1CCCC=C[C@H]1C 238400713 573451615 /nfs/dbraw/zinc/45/16/15/573451615.db2.gz CKJBWSMWOSXIAA-MWLCHTKSSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@@H]1O[C@H](CC)CCC=CC[C@@H]1O 308588642 573452330 /nfs/dbraw/zinc/45/23/30/573452330.db2.gz NLOHCKVONBYWNS-WOPDTQHZSA-N 0 0 198.306 2.661 10 0 AFAERN CCCc1cccc([C@@H](F)CO)c1 257816993 573454104 /nfs/dbraw/zinc/45/41/04/573454104.db2.gz BYGBCKXMPIOXDW-NSHDSACASA-N 0 0 182.238 2.642 10 0 AFAERN O=Cc1ccc2c(c1)C(F)(F)CC2 107257193 573452402 /nfs/dbraw/zinc/45/24/02/573452402.db2.gz YIGUAMISSVHAMZ-UHFFFAOYSA-N 0 0 182.169 2.537 10 0 AFAERN CC(=O)Cc1coc2cccc(F)c12 258352377 573452604 /nfs/dbraw/zinc/45/26/04/573452604.db2.gz YPXGWMMMKPDULL-UHFFFAOYSA-N 0 0 192.189 2.703 10 0 AFAERN CC(=O)C[C@@H]1CCCC=C[C@H]1C 238400722 573452621 /nfs/dbraw/zinc/45/26/21/573452621.db2.gz CKJBWSMWOSXIAA-KOLCDFICSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)(C)Cc1cccc(F)c1N 257817045 573452634 /nfs/dbraw/zinc/45/26/34/573452634.db2.gz DMFBBLOISCCKEJ-UHFFFAOYSA-N 0 0 181.254 2.997 10 0 AFAERN Fc1ccc2c(c1)NCC[C@H]2F 107258372 573452638 /nfs/dbraw/zinc/45/26/38/573452638.db2.gz QBGQYNQVRRGUQF-MRVPVSSYSA-N 0 0 169.174 2.652 10 0 AFAERN Cc1coc([C@H](O)[C@@H]2CC=CCC2)c1 715809127 573452678 /nfs/dbraw/zinc/45/26/78/573452678.db2.gz ZWUIPDZFKWTVAG-ZYHUDNBSSA-N 0 0 192.258 2.978 10 0 AFAERN CC(=O)[C@@H](C)C[Si](C)(C)C 238401725 573452811 /nfs/dbraw/zinc/45/28/11/573452811.db2.gz GRVBXCVMBTZHOO-ZETCQYMHSA-N 0 0 158.317 2.550 10 0 AFAERN CCOC(=O)c1scc(C)c1CC 259612201 573452872 /nfs/dbraw/zinc/45/28/72/573452872.db2.gz DXSQANUVVHMWJA-UHFFFAOYSA-N 0 0 198.287 2.796 10 0 AFAERN C[C@@H]1C=CC[C@@H]2CCCC(=O)[C@]21C 238401779 573452913 /nfs/dbraw/zinc/45/29/13/573452913.db2.gz ZTBXVZYFSOIBKB-FOGDFJRCSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H](O)c1coc(-c2ccccc2)c1 238401754 573452994 /nfs/dbraw/zinc/45/29/94/573452994.db2.gz SLFDADFDDXCMJE-SECBINFHSA-N 0 0 188.226 3.000 10 0 AFAERN Fc1ccc2c(c1)NCCC2(F)F 107258021 573453014 /nfs/dbraw/zinc/45/30/14/573453014.db2.gz SOUHCHLKKMDGEJ-UHFFFAOYSA-N 0 0 187.164 2.733 10 0 AFAERN CC(C)c1ccccc1[C@H](F)CO 257817568 573453154 /nfs/dbraw/zinc/45/31/54/573453154.db2.gz CHWBONSOCXKTFD-LLVKDONJSA-N 0 0 182.238 2.813 10 0 AFAERN COc1cc2c(C)c(C)oc2cc1N 238401693 573453063 /nfs/dbraw/zinc/45/30/63/573453063.db2.gz RWQMYUYZUOPGAG-UHFFFAOYSA-N 0 0 191.230 2.640 10 0 AFAERN OCc1csc(-c2ccsc2)c1 142534315 573453065 /nfs/dbraw/zinc/45/30/65/573453065.db2.gz GGYMGJGLKNTBHU-UHFFFAOYSA-N 0 0 196.296 2.969 10 0 AFAERN CC(C)c1cnc(N)c2ccccc12 258351942 573453068 /nfs/dbraw/zinc/45/30/68/573453068.db2.gz WARMKWHYTAQCHD-UHFFFAOYSA-N 0 0 186.258 2.940 10 0 AFAERN FC(F)c1ccc2c(c1)CCCN2 107256383 573453133 /nfs/dbraw/zinc/45/31/33/573453133.db2.gz MICDBKQWLNSISV-UHFFFAOYSA-N 0 0 183.201 2.982 10 0 AFAERN CC(=O)c1ccc2c(c1)[C@@H](F)CCO2 107256721 573453140 /nfs/dbraw/zinc/45/31/40/573453140.db2.gz MZZKEEFHLIZQFD-JTQLQIEISA-N 0 0 194.205 2.682 10 0 AFAERN Cc1coc([C@H](O)c2occc2C)c1 715808845 573453215 /nfs/dbraw/zinc/45/32/15/573453215.db2.gz YGUYDFVEUOEPDL-JTQLQIEISA-N 0 0 192.214 2.571 10 0 AFAERN CNc1c(C)oc2ccccc12 259456781 573453221 /nfs/dbraw/zinc/45/32/21/573453221.db2.gz KXALNNZQJMEGJO-UHFFFAOYSA-N 0 0 161.204 2.783 10 0 AFAERN COc1cnc(C)c(C(F)F)c1C 238401328 573455575 /nfs/dbraw/zinc/45/55/75/573455575.db2.gz MBMLDMGOITUVJZ-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN Oc1ccc2c(c1)CCC1(CCC1)O2 142529972 573454139 /nfs/dbraw/zinc/45/41/39/573454139.db2.gz QMOZGWKGOSWTFV-UHFFFAOYSA-N 0 0 190.242 2.640 10 0 AFAERN Cc1ccc(N)c(Nc2cccnc2)c1 258660980 573454159 /nfs/dbraw/zinc/45/41/59/573454159.db2.gz AXKVXXYUUJEYAS-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN C[C@H]1C[C@@H](C)Nc2cc(O)ccc21 257817392 573454241 /nfs/dbraw/zinc/45/42/41/573454241.db2.gz DQXDZKQBHHRUQB-JGVFFNPUSA-N 0 0 177.247 2.700 10 0 AFAERN C[C@H](F)c1ccc2c(c1)NCCO2 107257823 573454344 /nfs/dbraw/zinc/45/43/44/573454344.db2.gz RWFDAGCGFOXOJB-ZETCQYMHSA-N 0 0 181.210 2.521 10 0 AFAERN C[C@H]1C[C@H](C)c2ccc(O)cc2N1 257817396 573454465 /nfs/dbraw/zinc/45/44/65/573454465.db2.gz DQXDZKQBHHRUQB-YUMQZZPRSA-N 0 0 177.247 2.700 10 0 AFAERN Cc1ccc(-c2nc(C)c(N)s2)o1 259452569 573454919 /nfs/dbraw/zinc/45/49/19/573454919.db2.gz WFDARAHGNNBWHW-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN Oc1ccc2c(c1)CCC[C@@H]2F 107267230 573455377 /nfs/dbraw/zinc/45/53/77/573455377.db2.gz JDLUCCDUGBVXKI-JTQLQIEISA-N 0 0 166.195 2.739 10 0 AFAERN O=Cc1ccc2c(c1)CCC[C@H]2F 107267274 573456761 /nfs/dbraw/zinc/45/67/61/573456761.db2.gz GZCBJEQSAMUTRK-LLVKDONJSA-N 0 0 178.206 2.846 10 0 AFAERN C[C@@H]1C=CCC[C@]12CCCC2=O 238401314 573455416 /nfs/dbraw/zinc/45/54/16/573455416.db2.gz FKKQJWXDWYJJTM-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN COc1cnc(C)c(C)c1C(F)F 238401733 573455446 /nfs/dbraw/zinc/45/54/46/573455446.db2.gz UWQORWYVMXAGIA-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN C[C@H]1NC(=O)Nc2cc(Cl)ccc21 257814168 573455538 /nfs/dbraw/zinc/45/55/38/573455538.db2.gz CIVQGZUBZOQPMY-RXMQYKEDSA-N 0 0 196.637 2.536 10 0 AFAERN CSc1c(C)cccc1NC(C)=O 238401340 573455580 /nfs/dbraw/zinc/45/55/80/573455580.db2.gz NJXSXZNVUXYASZ-UHFFFAOYSA-N 0 0 195.287 2.675 10 0 AFAERN COCCCCC(=O)c1occc1C 308591135 573455583 /nfs/dbraw/zinc/45/55/83/573455583.db2.gz PABKVYLSSBOTDN-UHFFFAOYSA-N 0 0 196.246 2.587 10 0 AFAERN C[C@@H]1C=CCC[C@@]12CCCC2=O 238401036 573455594 /nfs/dbraw/zinc/45/55/94/573455594.db2.gz FKKQJWXDWYJJTM-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CCCc1ccc(C2(CO)CC2)cc1 257814127 573455658 /nfs/dbraw/zinc/45/56/58/573455658.db2.gz AOQKMZGFUFGUHJ-UHFFFAOYSA-N 0 0 190.286 2.663 10 0 AFAERN C[C@H]1CCC[C@H](C)C12CCC2=O 142675748 573455661 /nfs/dbraw/zinc/45/56/61/573455661.db2.gz QNLJOJYCIDXOSW-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN COc1ccc(N)c(SC(C)C)c1 86478186 573455703 /nfs/dbraw/zinc/45/57/03/573455703.db2.gz LTFVHSUBZPRCNT-UHFFFAOYSA-N 0 0 197.303 2.778 10 0 AFAERN Cc1cc2c(s1)CCC2 142663080 573455708 /nfs/dbraw/zinc/45/57/08/573455708.db2.gz OYSPOCSGOFJYPU-UHFFFAOYSA-N 0 0 138.235 2.545 10 0 AFAERN Nc1ccc2c(c1)[C@H](F)CCC2 107267130 573455716 /nfs/dbraw/zinc/45/57/16/573455716.db2.gz QVUMMBAACWZTNP-SNVBAGLBSA-N 0 0 165.211 2.616 10 0 AFAERN FC1CCCCCC1 107262101 573455861 /nfs/dbraw/zinc/45/58/61/573455861.db2.gz SXBNZAGHSZDLTC-UHFFFAOYSA-N 0 0 116.179 2.679 10 0 AFAERN O=Cc1cccc2c1CCC[C@@H]2F 107267199 573455870 /nfs/dbraw/zinc/45/58/70/573455870.db2.gz QEXHNCRVSZAKRO-NSHDSACASA-N 0 0 178.206 2.846 10 0 AFAERN CCCC[C@@H](NN)C1C(C)(C)C1(C)C 130167461 573455987 /nfs/dbraw/zinc/45/59/87/573455987.db2.gz BPJSXWJVNQIBTF-SECBINFHSA-N 0 0 198.354 2.691 10 0 AFAERN Nc1cccc2c1CCC[C@@H]2F 107267183 573456038 /nfs/dbraw/zinc/45/60/38/573456038.db2.gz LKMORHPZJJOQSF-VIFPVBQESA-N 0 0 165.211 2.616 10 0 AFAERN CCc1ccc2c(c1)N[C@@H](C)C2 142638146 573456779 /nfs/dbraw/zinc/45/67/79/573456779.db2.gz PRCAGWWMUVKZMT-QMMMGPOBSA-N 0 0 161.248 2.606 10 0 AFAERN O[C@H](CC1CC1)c1c(F)cccc1F 86477478 573456140 /nfs/dbraw/zinc/45/61/40/573456140.db2.gz JPVIDPUNIBPDOR-SNVBAGLBSA-N 0 0 198.212 2.798 10 0 AFAERN O=Cc1cccc2c1CCC[C@H]2F 107267196 573456435 /nfs/dbraw/zinc/45/64/35/573456435.db2.gz QEXHNCRVSZAKRO-LLVKDONJSA-N 0 0 178.206 2.846 10 0 AFAERN Cc1c(O)ccc2cccc(F)c12 258365660 573456496 /nfs/dbraw/zinc/45/64/96/573456496.db2.gz WSWHZUQMRPWZPQ-UHFFFAOYSA-N 0 0 176.190 2.993 10 0 AFAERN C/C=C\Oc1ccc(NC(C)=O)cc1 215213250 573456540 /nfs/dbraw/zinc/45/65/40/573456540.db2.gz RXEPUVZHBPYMOI-BAQGIRSFSA-N 0 0 191.230 2.557 10 0 AFAERN COc1ccc(OC2CCC2)c(C)c1 238401799 573456566 /nfs/dbraw/zinc/45/65/66/573456566.db2.gz YGIBNDPHWJXVEV-UHFFFAOYSA-N 0 0 192.258 2.935 10 0 AFAERN CCc1ccc2c(c1)N[C@H](C)C2 142637924 573456568 /nfs/dbraw/zinc/45/65/68/573456568.db2.gz PRCAGWWMUVKZMT-MRVPVSSYSA-N 0 0 161.248 2.606 10 0 AFAERN O[C@@H](CC1CC1)c1c(F)cccc1F 86477479 573456725 /nfs/dbraw/zinc/45/67/25/573456725.db2.gz JPVIDPUNIBPDOR-JTQLQIEISA-N 0 0 198.212 2.798 10 0 AFAERN C[C@@H]1C=CC[C@@]2(C)CCC(=O)[C@@H]12 238402075 573458216 /nfs/dbraw/zinc/45/82/16/573458216.db2.gz ABNYCPYQFKJEEH-IEBDPFPHSA-N 0 0 164.248 2.568 10 0 AFAERN COc1ccc(OC2CCC2)cc1F 238401932 573457968 /nfs/dbraw/zinc/45/79/68/573457968.db2.gz BNXAPKUGMQFJFX-UHFFFAOYSA-N 0 0 196.221 2.766 10 0 AFAERN COc1ccc2c(c1)C[C@H](F)CC2 107262127 573457979 /nfs/dbraw/zinc/45/79/79/573457979.db2.gz MAHBPWZWVIUGTP-SNVBAGLBSA-N 0 0 180.222 2.522 10 0 AFAERN O=Cc1cc2ccc3cccnc3c2[nH]1 257814243 573458018 /nfs/dbraw/zinc/45/80/18/573458018.db2.gz CMHBCRHOGYRZIE-UHFFFAOYSA-N 0 0 196.209 2.529 10 0 AFAERN O=Cc1cc(C2CCCCCC2)[nH]n1 257817713 573458030 /nfs/dbraw/zinc/45/80/30/573458030.db2.gz DXMJZUFCGVVSDR-UHFFFAOYSA-N 0 0 192.262 2.660 10 0 AFAERN c1ccc(OCOC2CCCC2)cc1 78960869 573458034 /nfs/dbraw/zinc/45/80/34/573458034.db2.gz RTKXJLLECIPHIH-UHFFFAOYSA-N 0 0 192.258 2.982 10 0 AFAERN C[C@@H]1CC[C@H](O)[C@@]2(C)CCCC[C@@H]12 142631447 573458082 /nfs/dbraw/zinc/45/80/82/573458082.db2.gz XWNACIKSTVTRHN-RHYQMDGZSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@@H]1NC(=O)Nc2cc(Cl)ccc21 257814169 573458083 /nfs/dbraw/zinc/45/80/83/573458083.db2.gz CIVQGZUBZOQPMY-YFKPBYRVSA-N 0 0 196.637 2.536 10 0 AFAERN Oc1ccc2c(c1)[C@@H](F)CCC2 107267238 573458095 /nfs/dbraw/zinc/45/80/95/573458095.db2.gz LZULUEJWZZYTBX-JTQLQIEISA-N 0 0 166.195 2.739 10 0 AFAERN c1cc2cc(-c3ccon3)ccc2[nH]1 142613993 573458982 /nfs/dbraw/zinc/45/89/82/573458982.db2.gz GPXNXOCNYHREJY-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN C[C@@H]1C=CC[C@]2(C)C(=O)CCC[C@@H]12 238402149 573459000 /nfs/dbraw/zinc/45/90/00/573459000.db2.gz WKQOOHOMWKAQNC-SCVCMEIPSA-N 0 0 178.275 2.958 10 0 AFAERN COc1ccc(OC2CCC2)cc1C 238401870 573459020 /nfs/dbraw/zinc/45/90/20/573459020.db2.gz AVERRJAOJYJAPS-UHFFFAOYSA-N 0 0 192.258 2.935 10 0 AFAERN CCCC(=O)CC[C@@H]1CCC[C@H](O)C1 308592078 573459080 /nfs/dbraw/zinc/45/90/80/573459080.db2.gz WBZFSIBFILBEMY-JQWIXIFHSA-N 0 0 198.306 2.687 10 0 AFAERN CC[C@H]1C(=O)CCCC1(C)C 142651725 573459142 /nfs/dbraw/zinc/45/91/42/573459142.db2.gz OIWGHVCTNSKHRX-QMMMGPOBSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1C=CC[C@H]2C(=O)CCC[C@@H]12 238401977 573459303 /nfs/dbraw/zinc/45/93/03/573459303.db2.gz PFTBUARGVJYOQF-KXUCPTDWSA-N 0 0 164.248 2.568 10 0 AFAERN COc1cc(CF)ccc1SC 238402135 573459179 /nfs/dbraw/zinc/45/91/79/573459179.db2.gz KMOFWEUDZBXORE-UHFFFAOYSA-N 0 0 186.251 2.887 10 0 AFAERN Oc1cccc2c1CCC[C@H]2F 107267244 573459218 /nfs/dbraw/zinc/45/92/18/573459218.db2.gz QKZXIPXPQDSICE-SECBINFHSA-N 0 0 166.195 2.739 10 0 AFAERN COc1cc2c(C)c[nH]c2cc1F 238401827 573459252 /nfs/dbraw/zinc/45/92/52/573459252.db2.gz LJGBPXVKVKETNX-UHFFFAOYSA-N 0 0 179.194 2.624 10 0 AFAERN O=Cc1ccc(O[C@H]2C=CCC2)cc1 257814254 573459258 /nfs/dbraw/zinc/45/92/58/573459258.db2.gz CNBZDWJTUNHXMT-NSHDSACASA-N 0 0 188.226 2.597 10 0 AFAERN Nc1n[nH]cc1-c1ccc(C2CC2)cc1 258031716 573459548 /nfs/dbraw/zinc/45/95/48/573459548.db2.gz FIIHUHMWFBNXOI-UHFFFAOYSA-N 0 0 199.257 2.536 10 0 AFAERN COc1cccc2c(Cl)c[nH]c12 238402749 573460466 /nfs/dbraw/zinc/46/04/66/573460466.db2.gz NVSBWWXBALPAQG-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN COc1ncc(C(F)F)c(C)c1C 238402505 573460478 /nfs/dbraw/zinc/46/04/78/573460478.db2.gz GTEDXDWHVBQMOI-UHFFFAOYSA-N 0 0 187.189 2.645 10 0 AFAERN C[C@@H]1CCC[C@@H](C(C)(C)C)[C@@H]1O 142617162 573460485 /nfs/dbraw/zinc/46/04/85/573460485.db2.gz VKOYRVUCQPQQDB-OPRDCNLKSA-N 0 0 170.296 2.830 10 0 AFAERN Fc1ccc2nc3ccsc3n2c1 107270736 573462343 /nfs/dbraw/zinc/46/23/43/573462343.db2.gz GRCQSPGEDVJXRN-UHFFFAOYSA-N 0 0 192.218 2.688 10 0 AFAERN Nc1ccccc1C[C@H]1CCSC1 257815123 573461484 /nfs/dbraw/zinc/46/14/84/573461484.db2.gz CUPRBNHZVXKOPX-SECBINFHSA-N 0 0 193.315 2.564 10 0 AFAERN Cc1cccc2[nH]c(C(C)(C)O)cc12 258367987 573461550 /nfs/dbraw/zinc/46/15/50/573461550.db2.gz ZRZYNIJVAUWVLG-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN Cc1cccc2occ([C@H](C)CO)c12 258032489 573461620 /nfs/dbraw/zinc/46/16/20/573461620.db2.gz ZESRKGFREMIFBE-SECBINFHSA-N 0 0 190.242 2.837 10 0 AFAERN Cc1nc(CO)oc1C1CCCCC1 257815143 573461773 /nfs/dbraw/zinc/46/17/73/573461773.db2.gz CVJGUCPBQCHBOH-UHFFFAOYSA-N 0 0 195.262 2.523 10 0 AFAERN Cc1cnc(Cl)c2c(N)cccc12 258378462 573461825 /nfs/dbraw/zinc/46/18/25/573461825.db2.gz XOQMUAQOZDCAJA-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN COc1cc2ccccc2c(C)c1O 238404420 573461836 /nfs/dbraw/zinc/46/18/36/573461836.db2.gz CYFCHKLMWVRHBR-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN COc1cc2ccc(C)cc2cc1O 238404077 573461876 /nfs/dbraw/zinc/46/18/76/573461876.db2.gz ZWBXMOPXRBMOFI-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN CC(C)(F)c1ccc(C=O)cc1 107271664 573461880 /nfs/dbraw/zinc/46/18/80/573461880.db2.gz MPABZYGOEWOPER-UHFFFAOYSA-N 0 0 166.195 2.704 10 0 AFAERN COc1cc2ccoc2cc1F 238405309 573461931 /nfs/dbraw/zinc/46/19/31/573461931.db2.gz DSMZFBPICPIQOT-UHFFFAOYSA-N 0 0 166.151 2.581 10 0 AFAERN C=Cc1ccc2c(c1)C[C@@H](C)N2 238404749 573464546 /nfs/dbraw/zinc/46/45/46/573464546.db2.gz UYWGRCBCKWVETD-MRVPVSSYSA-N 0 0 159.232 2.686 10 0 AFAERN CC(C)(F)c1cccc(C=O)c1 107271672 573462032 /nfs/dbraw/zinc/46/20/32/573462032.db2.gz OSJQZBNIBQJOPW-UHFFFAOYSA-N 0 0 166.195 2.704 10 0 AFAERN Cc1cccc2c(F)c[nH]c12 107271215 573462049 /nfs/dbraw/zinc/46/20/49/573462049.db2.gz UAIWDWHAOZNEHK-UHFFFAOYSA-N 0 0 149.168 2.615 10 0 AFAERN CCCC(=O)CC[C@H]1CCC[C@@H](O)C1 308592080 573462095 /nfs/dbraw/zinc/46/20/95/573462095.db2.gz WBZFSIBFILBEMY-ZYHUDNBSSA-N 0 0 198.306 2.687 10 0 AFAERN Cc1cccc2c1CC[C@@H]2[C@@H](C)CO 257814753 573462248 /nfs/dbraw/zinc/46/22/48/573462248.db2.gz CRBVIVPGFVMXCV-CMPLNLGQSA-N 0 0 190.286 2.653 10 0 AFAERN CCCC(=O)CC[C@@H]1CCC[C@@H](O)C1 308592077 573462299 /nfs/dbraw/zinc/46/22/99/573462299.db2.gz WBZFSIBFILBEMY-CMPLNLGQSA-N 0 0 198.306 2.687 10 0 AFAERN Cc1cccc2c1CC[C@H]2[C@H](C)CO 257814755 573462307 /nfs/dbraw/zinc/46/23/07/573462307.db2.gz CRBVIVPGFVMXCV-PWSUYJOCSA-N 0 0 190.286 2.653 10 0 AFAERN CC(C)Cc1cccc([C@@H](F)CO)c1 257814662 573462310 /nfs/dbraw/zinc/46/23/10/573462310.db2.gz AWUDXKSWHCWQIQ-LBPRGKRZSA-N 0 0 196.265 2.888 10 0 AFAERN C1=CNc2c(ccc3cccnc23)C1 142682670 573462358 /nfs/dbraw/zinc/46/23/58/573462358.db2.gz UWNHXWAHZLEKOG-UHFFFAOYSA-N 0 0 182.226 2.717 10 0 AFAERN CCc1ccc(C[C@H](C)O)cc1CC 258033281 573462399 /nfs/dbraw/zinc/46/23/99/573462399.db2.gz JCZIJNPYFZAXAB-JTQLQIEISA-N 0 0 192.302 2.735 10 0 AFAERN O=Cc1c(C(F)F)[nH]c2ccccc12 107268087 573462580 /nfs/dbraw/zinc/46/25/80/573462580.db2.gz HFNYSFULRRHNGQ-UHFFFAOYSA-N 0 0 195.168 2.918 10 0 AFAERN CSc1cc(C)c(N)cc1Cl 238404543 573462644 /nfs/dbraw/zinc/46/26/44/573462644.db2.gz YMLOFXVTZBNVBZ-UHFFFAOYSA-N 0 0 187.695 2.953 10 0 AFAERN Cc1cc(C2(O)CC2)cc(C)c1C 258032783 573462653 /nfs/dbraw/zinc/46/26/53/573462653.db2.gz PFUQSILDNRIWCY-UHFFFAOYSA-N 0 0 176.259 2.593 10 0 AFAERN CCOCc1c[nH]c2ccc(F)cc12 258031852 573462660 /nfs/dbraw/zinc/46/26/60/573462660.db2.gz NCTNTKZTFRTCNL-UHFFFAOYSA-N 0 0 193.221 2.844 10 0 AFAERN C[C@@H]1Cc2ccc(O)cc2NC1(C)C 258368142 573462713 /nfs/dbraw/zinc/46/27/13/573462713.db2.gz ZTTYOCWHPOADQX-MRVPVSSYSA-N 0 0 191.274 2.775 10 0 AFAERN CC(F)(F)c1cccc(O)c1 107268161 573462724 /nfs/dbraw/zinc/46/27/24/573462724.db2.gz SQQMXYJQTCGJML-UHFFFAOYSA-N 0 0 158.147 2.504 10 0 AFAERN CC(C)n1nc(N)cc1C1CCCC1 257814769 573462858 /nfs/dbraw/zinc/46/28/58/573462858.db2.gz CRZUYQRELUKZQD-UHFFFAOYSA-N 0 0 193.294 2.704 10 0 AFAERN CC(C)(C)[C@@H](CO)c1ccccc1O 258033656 573462964 /nfs/dbraw/zinc/46/29/64/573462964.db2.gz IVMUORJLWVIBQF-JTQLQIEISA-N 0 0 194.274 2.514 10 0 AFAERN Cc1coc2ccc(C(C)(C)O)cc12 258036666 573463843 /nfs/dbraw/zinc/46/38/43/573463843.db2.gz KKAMVDAZCWWSOH-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN Nc1cccc([C@@H]2CCC[C@H]2F)c1 107277569 573466197 /nfs/dbraw/zinc/46/61/97/573466197.db2.gz RHXOJSIDGKQNFJ-WDEREUQCSA-N 0 0 179.238 2.874 10 0 AFAERN Cc1cccc2c1CC[C@@H]2[C@H](C)CO 257814756 573464093 /nfs/dbraw/zinc/46/40/93/573464093.db2.gz CRBVIVPGFVMXCV-ZYHUDNBSSA-N 0 0 190.286 2.653 10 0 AFAERN OCC[C@@H]1CCCc2c(F)cccc21 257814715 573463220 /nfs/dbraw/zinc/46/32/20/573463220.db2.gz COWDRLPKLANXQB-VIFPVBQESA-N 0 0 194.249 2.628 10 0 AFAERN CC(C)(C)c1o[nH]c2cc(=O)ccc1-2 257814737 573463228 /nfs/dbraw/zinc/46/32/28/573463228.db2.gz CQGWGEWPFPXDGS-UHFFFAOYSA-N 0 0 191.230 2.831 10 0 AFAERN CC(C)(F)Cc1ccc(O)cc1 107271994 573463246 /nfs/dbraw/zinc/46/32/46/573463246.db2.gz GSDMFOJXXRQDLZ-UHFFFAOYSA-N 0 0 168.211 2.683 10 0 AFAERN CC(C)(F)c1ccccc1O 107268567 573463305 /nfs/dbraw/zinc/46/33/05/573463305.db2.gz PZUXZHQDBYGHQR-UHFFFAOYSA-N 0 0 154.184 2.597 10 0 AFAERN COc1cccc([C@H]2C=CCC2)c1N 238403942 573463354 /nfs/dbraw/zinc/46/33/54/573463354.db2.gz TVBXKZMVGPLHOB-VIFPVBQESA-N 0 0 189.258 2.711 10 0 AFAERN Cc1cnc(Cl)c2cc(N)ccc12 258367976 573463374 /nfs/dbraw/zinc/46/33/74/573463374.db2.gz WZBGQHZMYUKCCH-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN C[C@H](F)c1ccc2c(c1)CCN2 107272851 573463412 /nfs/dbraw/zinc/46/34/12/573463412.db2.gz TXUXJGDSUDDCNT-ZETCQYMHSA-N 0 0 165.211 2.685 10 0 AFAERN Fc1ccn2c(c1)nc1ccsc12 107270732 573463520 /nfs/dbraw/zinc/46/35/20/573463520.db2.gz WZJQSNKWIJKNLB-UHFFFAOYSA-N 0 0 192.218 2.688 10 0 AFAERN CC(C)C(=O)c1ncccc1Cl 107268934 573463618 /nfs/dbraw/zinc/46/36/18/573463618.db2.gz ZWBMFIRELLRTTM-UHFFFAOYSA-N 0 0 183.638 2.574 10 0 AFAERN CC(F)(F)c1ccc(O)cc1 107268171 573463621 /nfs/dbraw/zinc/46/36/21/573463621.db2.gz OTONQSRNPGXLHL-UHFFFAOYSA-N 0 0 158.147 2.504 10 0 AFAERN Nc1ccc2c(c1)CCC(F)(F)CC2 107268491 573463631 /nfs/dbraw/zinc/46/36/31/573463631.db2.gz DOACVDXBYOYYRS-UHFFFAOYSA-N 0 0 197.228 2.783 10 0 AFAERN COc1cccc2ccc(N)c(C)c12 258372122 573463642 /nfs/dbraw/zinc/46/36/42/573463642.db2.gz XDOLUJVAUARTEQ-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN O=c1[nH]c(C2CCCCCC2)co1 257815342 573463727 /nfs/dbraw/zinc/46/37/27/573463727.db2.gz CSNWDGIPMLIEJX-UHFFFAOYSA-N 0 0 181.235 2.818 10 0 AFAERN CSC(=O)Nc1ccccc1C 238404423 573463728 /nfs/dbraw/zinc/46/37/28/573463728.db2.gz WHDAXKWILRIEID-UHFFFAOYSA-N 0 0 181.260 2.890 10 0 AFAERN Cc1cccc2c1CC[C@H]2[C@@H](C)CO 257814754 573463782 /nfs/dbraw/zinc/46/37/82/573463782.db2.gz CRBVIVPGFVMXCV-JQWIXIFHSA-N 0 0 190.286 2.653 10 0 AFAERN Fc1cccc([C@@]23CC[C@@H](C2)OC3)c1 258373877 573463893 /nfs/dbraw/zinc/46/38/93/573463893.db2.gz XHNBDPJULOCDQZ-RYUDHWBXSA-N 0 0 192.233 2.646 10 0 AFAERN CC(C)(F)c1cccc(O)c1 107271723 573463912 /nfs/dbraw/zinc/46/39/12/573463912.db2.gz YHMDQOFSNLRXCV-UHFFFAOYSA-N 0 0 154.184 2.597 10 0 AFAERN CO[C@H](C)c1ccc(C(C)(C)O)cc1 258036064 573463918 /nfs/dbraw/zinc/46/39/18/573463918.db2.gz JJWBRUXWVBNQQQ-SECBINFHSA-N 0 0 194.274 2.621 10 0 AFAERN COc1ccc2c(c1)[C@@H](F)CCC2=O 107271028 573463934 /nfs/dbraw/zinc/46/39/34/573463934.db2.gz PETSIWDLZYQNCF-JTQLQIEISA-N 0 0 194.205 2.682 10 0 AFAERN CC(F)(F)c1ccc(F)c(N)c1 107270193 573463941 /nfs/dbraw/zinc/46/39/41/573463941.db2.gz WAGAJCXWJKDOEH-UHFFFAOYSA-N 0 0 175.153 2.520 10 0 AFAERN c1ccn2c(c1)nc1ccsc12 107270726 573463960 /nfs/dbraw/zinc/46/39/60/573463960.db2.gz WPTLIBIXDHCOIF-UHFFFAOYSA-N 0 0 174.228 2.549 10 0 AFAERN c1ccc(CSc2c[nH]cn2)cc1 224152850 573463980 /nfs/dbraw/zinc/46/39/80/573463980.db2.gz IDFKBPCEJCDELF-UHFFFAOYSA-N 0 0 190.271 2.702 10 0 AFAERN CSc1cc(C)cc(C(C)=O)c1O 238404779 573464008 /nfs/dbraw/zinc/46/40/08/573464008.db2.gz KELLTLIXSJQGNG-UHFFFAOYSA-N 0 0 196.271 2.625 10 0 AFAERN COc1cccc2cc(Cl)[nH]c12 238404818 573464083 /nfs/dbraw/zinc/46/40/83/573464083.db2.gz XMIVJFMVHHSGHS-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN Nc1ccc(C(F)F)cc1Cl 107267872 573464120 /nfs/dbraw/zinc/46/41/20/573464120.db2.gz AIYLNYIWITVXAW-UHFFFAOYSA-N 0 0 177.581 2.860 10 0 AFAERN CC(C)Cc1cccc([C@H](F)CO)c1 257814661 573464177 /nfs/dbraw/zinc/46/41/77/573464177.db2.gz AWUDXKSWHCWQIQ-GFCCVEGCSA-N 0 0 196.265 2.888 10 0 AFAERN CC[C@H](CO)Cc1ccc(F)c(C)c1 259461952 573464944 /nfs/dbraw/zinc/46/49/44/573464944.db2.gz RBSIMQQVOLWRKH-JTQLQIEISA-N 0 0 196.265 2.695 10 0 AFAERN CC(C)c1oc(=O)[nH]c1C1CCC1 257814571 573464243 /nfs/dbraw/zinc/46/42/43/573464243.db2.gz CMHWNWRLGPZPJB-UHFFFAOYSA-N 0 0 181.235 2.771 10 0 AFAERN Cc1sc(C=O)nc1C1CCC1 257814990 573464250 /nfs/dbraw/zinc/46/42/50/573464250.db2.gz CRMYBQPUVXIJNC-UHFFFAOYSA-N 0 0 181.260 2.532 10 0 AFAERN CSc1cc(C)c(C)cc1O 238404430 573464463 /nfs/dbraw/zinc/46/44/63/573464463.db2.gz PCJKFFAXPQPRPM-UHFFFAOYSA-N 0 0 168.261 2.731 10 0 AFAERN C[C@@H](O)C(F)(F)C1CCCCC1 257814582 573464464 /nfs/dbraw/zinc/46/44/64/573464464.db2.gz CNAHCKGNSUFEPO-SSDOTTSWSA-N 0 0 178.222 2.583 10 0 AFAERN Cc1ccc(C(C)(F)F)nc1 107268332 573464486 /nfs/dbraw/zinc/46/44/86/573464486.db2.gz NQPBIEURRQSGQI-UHFFFAOYSA-N 0 0 157.163 2.502 10 0 AFAERN Cc1cccc(-c2c[nH]c(N)c2)c1 258037245 573464529 /nfs/dbraw/zinc/46/45/29/573464529.db2.gz DEQYMVWXURVSMG-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN C[C@@H]1C=Cc2c(O)cccc21 238405231 573464553 /nfs/dbraw/zinc/46/45/53/573464553.db2.gz UUKJRBLRHPBDJZ-SSDOTTSWSA-N 0 0 146.189 2.523 10 0 AFAERN CSC(=O)N[C@H](C)c1ccccc1 238404149 573464958 /nfs/dbraw/zinc/46/49/58/573464958.db2.gz IQBZNKIGXKGFSJ-MRVPVSSYSA-N 0 0 195.287 2.820 10 0 AFAERN COC[C@@H](C)CNc1ccc(C)cc1 130175914 573464598 /nfs/dbraw/zinc/46/45/98/573464598.db2.gz VNMVLAYNRUPVAI-NSHDSACASA-N 0 0 193.290 2.689 10 0 AFAERN C/C=C\CCC(=O)CC(C)C 211736298 573464693 /nfs/dbraw/zinc/46/46/93/573464693.db2.gz NRYUKEGJDDIKKC-PLNGDYQASA-N 0 0 154.253 2.958 10 0 AFAERN COc1cc(F)c(Cl)c(F)c1 86492582 573464708 /nfs/dbraw/zinc/46/47/08/573464708.db2.gz VUSBGRXAIVPBCA-UHFFFAOYSA-N 0 0 178.565 2.627 10 0 AFAERN O=C1CCC(F)(F)c2ccccc21 107270983 573464766 /nfs/dbraw/zinc/46/47/66/573464766.db2.gz OVELXNJTHQQMPS-UHFFFAOYSA-N 0 0 182.169 2.755 10 0 AFAERN CCNc1ncc(C2CCCC2)cn1 259460608 573464784 /nfs/dbraw/zinc/46/47/84/573464784.db2.gz NHMODHJJACLUEA-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN CSc1cc(C)cnc1Cl 238405238 573464797 /nfs/dbraw/zinc/46/47/97/573464797.db2.gz MSXZANLIFQMUFS-UHFFFAOYSA-N 0 0 173.668 2.765 10 0 AFAERN CC(C)(F)c1ccc(O)cc1 107271726 573464806 /nfs/dbraw/zinc/46/48/06/573464806.db2.gz MNPLTTHNNZRMNN-UHFFFAOYSA-N 0 0 154.184 2.597 10 0 AFAERN C[C@@H]1C=C[C@@H]2CCCC(=O)[C@]21C 238403889 573464824 /nfs/dbraw/zinc/46/48/24/573464824.db2.gz YDOZFVYLYRACQV-YWVKMMECSA-N 0 0 164.248 2.568 10 0 AFAERN CCC(CC)c1ccc(CON)cc1 258036281 573464881 /nfs/dbraw/zinc/46/48/81/573464881.db2.gz JNWIFPDPVMEKQR-UHFFFAOYSA-N 0 0 193.290 2.981 10 0 AFAERN COc1cc2ccoc2cc1C 238405244 573465279 /nfs/dbraw/zinc/46/52/79/573465279.db2.gz JWIRNLCCAXLZMV-UHFFFAOYSA-N 0 0 162.188 2.750 10 0 AFAERN CCCc1ccccc1[C@H](C)CO 257815926 573465316 /nfs/dbraw/zinc/46/53/16/573465316.db2.gz BOVUJTZCSNBHEV-SNVBAGLBSA-N 0 0 178.275 2.735 10 0 AFAERN CSC(=O)Nc1cccc(C)c1 238404336 573465339 /nfs/dbraw/zinc/46/53/39/573465339.db2.gz AUWNJDZERKNZRT-UHFFFAOYSA-N 0 0 181.260 2.890 10 0 AFAERN C/C=C\C=C/CCC 83315714 573465353 /nfs/dbraw/zinc/46/53/53/573465353.db2.gz NZLCAHVLJPDRBL-OVRZELKPSA-N 0 0 110.200 2.919 10 0 AFAERN Cc1ccc2c(c1)CCC[C@H]2CCO 257820648 573465355 /nfs/dbraw/zinc/46/53/55/573465355.db2.gz FTPUPHYHWAUXHT-NSHDSACASA-N 0 0 190.286 2.797 10 0 AFAERN CC(=O)[C@H]1C=C[C@@H](C)[C@@H]2C=CC[C@@H]21 238404380 573465399 /nfs/dbraw/zinc/46/53/99/573465399.db2.gz HAJXTNTXXIZEII-KLHWPWHYSA-N 0 0 176.259 2.590 10 0 AFAERN O[C@H]1CC[C@H]2CSc3cccc1c32 142695553 573465403 /nfs/dbraw/zinc/46/54/03/573465403.db2.gz WMJKQOPRGDHXMF-CBAPKCEASA-N 0 0 192.283 2.703 10 0 AFAERN CCc1nc(Cl)c2c(C)cccn12 258390090 573465407 /nfs/dbraw/zinc/46/54/07/573465407.db2.gz UENDSDHZMKGYJY-UHFFFAOYSA-N 0 0 194.665 2.859 10 0 AFAERN C[C@@H]1C=C[C@@]2(C)CCC[C@@H]1C2=O 238404144 573465436 /nfs/dbraw/zinc/46/54/36/573465436.db2.gz DDOUCULYJOWRML-WCABBAIRSA-N 0 0 164.248 2.568 10 0 AFAERN CSc1cc(C)cc(NC(C)=O)c1 238404959 573465512 /nfs/dbraw/zinc/46/55/12/573465512.db2.gz UICRTCPTRQANHI-UHFFFAOYSA-N 0 0 195.287 2.675 10 0 AFAERN CSC(=O)c1c(C)cc(C)cc1O 238405458 573465579 /nfs/dbraw/zinc/46/55/79/573465579.db2.gz CZRJVSKXFHZAMW-UHFFFAOYSA-N 0 0 196.271 2.512 10 0 AFAERN CC(C)Cc1ccc([C@@H](F)CO)cc1 257815921 573465618 /nfs/dbraw/zinc/46/56/18/573465618.db2.gz BOIIPJFMKRWRKL-LBPRGKRZSA-N 0 0 196.265 2.888 10 0 AFAERN Nc1ccc([C@@H]2CCC[C@H]2F)cc1 107277132 573465626 /nfs/dbraw/zinc/46/56/26/573465626.db2.gz OASGJQKKXSWAGE-WDEREUQCSA-N 0 0 179.238 2.874 10 0 AFAERN CC(=O)c1cc(C(C)C)n(C(C)C)n1 257815606 573465693 /nfs/dbraw/zinc/46/56/93/573465693.db2.gz DANHTHCYZDHWDL-UHFFFAOYSA-N 0 0 194.278 2.790 10 0 AFAERN CCc1ccc(C(C)C)cc1CCO 258036079 573465718 /nfs/dbraw/zinc/46/57/18/573465718.db2.gz JKEWOYKKZHVWJG-UHFFFAOYSA-N 0 0 192.302 2.907 10 0 AFAERN CCSC[C@@H](O)CCCC1CC1 406069626 573465757 /nfs/dbraw/zinc/46/57/57/573465757.db2.gz QOKVUNRBOVQQAK-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN Cc1ccc2c(c1)CCC[C@@H]2CCO 257820647 573465829 /nfs/dbraw/zinc/46/58/29/573465829.db2.gz FTPUPHYHWAUXHT-LLVKDONJSA-N 0 0 190.286 2.797 10 0 AFAERN COc1ccc2c(c1)NC(C)(C)C=N2 238403913 573465861 /nfs/dbraw/zinc/46/58/61/573465861.db2.gz AAFDDBPTMYNGCD-UHFFFAOYSA-N 0 0 190.246 2.602 10 0 AFAERN Nc1cccc([C@H](F)C2CC2)c1 107277528 573465879 /nfs/dbraw/zinc/46/58/79/573465879.db2.gz YMGZWIUBOOIGQS-SNVBAGLBSA-N 0 0 165.211 2.689 10 0 AFAERN CCc1noc2ccc(C)cc12 138662382 573465884 /nfs/dbraw/zinc/46/58/84/573465884.db2.gz UNFJCAYECQZJCV-UHFFFAOYSA-N 0 0 161.204 2.699 10 0 AFAERN C[C@@H]1CCC[C@@H](C)C12CC(=O)C2 238405282 573465901 /nfs/dbraw/zinc/46/59/01/573465901.db2.gz PBSPWWVEYCSVEM-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN Oc1ccc([C@H]2CCC[C@H]2F)cc1 107278556 573465907 /nfs/dbraw/zinc/46/59/07/573465907.db2.gz LQCQEMUUVIDJAY-GHMZBOCLSA-N 0 0 180.222 2.998 10 0 AFAERN CO[C@@H](C)c1ccc(C(C)(C)O)cc1 258036065 573466040 /nfs/dbraw/zinc/46/60/40/573466040.db2.gz JJWBRUXWVBNQQQ-VIFPVBQESA-N 0 0 194.274 2.621 10 0 AFAERN O[C@H]1CC[C@@H]2CSc3cccc1c32 142695752 573466130 /nfs/dbraw/zinc/46/61/30/573466130.db2.gz WMJKQOPRGDHXMF-APPZFPTMSA-N 0 0 192.283 2.703 10 0 AFAERN CC[C@@H](C)[C@@H]1NC(=O)c2ccccc21 224151426 573466137 /nfs/dbraw/zinc/46/61/37/573466137.db2.gz BNTXXLYJAWGEGO-KCJUWKMLSA-N 0 0 189.258 2.517 10 0 AFAERN C[C@@H]1C=C[C@]2(C)C(=O)CCC[C@@H]12 238404240 573466211 /nfs/dbraw/zinc/46/62/11/573466211.db2.gz LXXYKJLMDOPLBN-YWVKMMECSA-N 0 0 164.248 2.568 10 0 AFAERN Nc1ccc([C@H]2CCC[C@@H]2F)cc1 107277129 573466227 /nfs/dbraw/zinc/46/62/27/573466227.db2.gz OASGJQKKXSWAGE-MNOVXSKESA-N 0 0 179.238 2.874 10 0 AFAERN CC[C@@H](CO)Cc1ccc(F)c(C)c1 259461954 573466240 /nfs/dbraw/zinc/46/62/40/573466240.db2.gz RBSIMQQVOLWRKH-SNVBAGLBSA-N 0 0 196.265 2.695 10 0 AFAERN Oc1cccc([C@H](F)C2CC2)c1 107278890 573466249 /nfs/dbraw/zinc/46/62/49/573466249.db2.gz BTHGFNACCNJCNS-SNVBAGLBSA-N 0 0 166.195 2.813 10 0 AFAERN C[C@@H]1C=C[C@@]23CCC[C@@]12CC(=O)C3 238404261 573466290 /nfs/dbraw/zinc/46/62/90/573466290.db2.gz ARFHCSVRZUFDSS-YUSALJHKSA-N 0 0 176.259 2.712 10 0 AFAERN CC(C)c1nc(C=O)oc1C(C)C 257815811 573466427 /nfs/dbraw/zinc/46/64/27/573466427.db2.gz CZFPSTYDFIMRMU-UHFFFAOYSA-N 0 0 181.235 2.734 10 0 AFAERN CCCCC(=O)CC[C@@H](O)C(C)C 238223377 573466484 /nfs/dbraw/zinc/46/64/84/573466484.db2.gz DVFZLEPJTNVVMR-LLVKDONJSA-N 0 0 186.295 2.543 10 0 AFAERN CCN1C[C@H](C)Nc2ccc(C)cc21 258397019 573466506 /nfs/dbraw/zinc/46/65/06/573466506.db2.gz BTHQUBVDCOKWAS-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN COc1cc2cccc(O)c2cc1F 238404363 573466608 /nfs/dbraw/zinc/46/66/08/573466608.db2.gz GYSFUGOCIBTMCK-UHFFFAOYSA-N 0 0 192.189 2.693 10 0 AFAERN Nc1ccccc1[C@H]1CCC[C@H]1F 107278039 573466624 /nfs/dbraw/zinc/46/66/24/573466624.db2.gz YOJZJVMHLQTMGU-PSASIEDQSA-N 0 0 179.238 2.874 10 0 AFAERN Nc1ccc([C@@H]2CCC[C@@H]2F)cc1 107277124 573466657 /nfs/dbraw/zinc/46/66/57/573466657.db2.gz OASGJQKKXSWAGE-QWRGUYRKSA-N 0 0 179.238 2.874 10 0 AFAERN Fc1cccc(Cc2cccnc2)c1 197340489 573466701 /nfs/dbraw/zinc/46/67/01/573466701.db2.gz MIRYUWNFMVZCMR-UHFFFAOYSA-N 0 0 187.217 2.812 10 0 AFAERN Nc1ccccc1C(F)(F)C1CC1 107277995 573466749 /nfs/dbraw/zinc/46/67/49/573466749.db2.gz MJXIWXXQNVTGQE-UHFFFAOYSA-N 0 0 183.201 2.771 10 0 AFAERN C[C@@H](O)c1cc2ccc(F)cc2o1 258035497 573466779 /nfs/dbraw/zinc/46/67/79/573466779.db2.gz ZKNGXIRDAVLJRZ-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN CC(C)[C@H](F)c1ccc(N)cc1 107277087 573466782 /nfs/dbraw/zinc/46/67/82/573466782.db2.gz MCSHIYIICRAKDK-JTQLQIEISA-N 0 0 167.227 2.935 10 0 AFAERN COCc1csc2cc(N)ccc12 258035042 573466800 /nfs/dbraw/zinc/46/68/00/573466800.db2.gz NFVCUAJWMLKMIL-UHFFFAOYSA-N 0 0 193.271 2.630 10 0 AFAERN CCOC(=O)C1(CC2CC2)CCC1 259461282 573466860 /nfs/dbraw/zinc/46/68/60/573466860.db2.gz AAPJAWRDYHROQC-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CCCC1CCC(C(N)=S)CC1 83341107 573470956 /nfs/dbraw/zinc/47/09/56/573470956.db2.gz MAFZNOANXBSQPY-UHFFFAOYSA-N 0 0 185.336 2.879 10 0 AFAERN CCCC[C@H](O)/C=C/[C@@H]1CCC=CO1 308583096 573470969 /nfs/dbraw/zinc/47/09/69/573470969.db2.gz KVEQAJDUVYSNEV-OMJLJAAMSA-N 0 0 196.290 2.786 10 0 AFAERN C[C@@H]1CCC[C@@H](Cc2ccco2)[C@@H]1O 238409020 573471046 /nfs/dbraw/zinc/47/10/46/573471046.db2.gz RCSOEAPBQAJBGG-JFGNBEQYSA-N 0 0 194.274 2.619 10 0 AFAERN Oc1ccccc1[C@H](F)C(F)(F)F 107279317 573475992 /nfs/dbraw/zinc/47/59/92/573475992.db2.gz YFDJPQXDMZEVSA-ZETCQYMHSA-N 0 0 194.127 2.965 10 0 AFAERN CCn1cc(N)c(-c2ccccc2)c1 258037507 573471076 /nfs/dbraw/zinc/47/10/76/573471076.db2.gz DGVBCWOFEXQZNM-UHFFFAOYSA-N 0 0 186.258 2.757 10 0 AFAERN CCc1nc(Cl)c2ccc(C)cn12 258497202 573471088 /nfs/dbraw/zinc/47/10/88/573471088.db2.gz ZPMHFVJCCFIYSF-UHFFFAOYSA-N 0 0 194.665 2.859 10 0 AFAERN C[C@@H]1Cc2ccccc2[C@@H](C)C1=O 238409311 573471138 /nfs/dbraw/zinc/47/11/38/573471138.db2.gz MNZQTUUQGBPSHF-RKDXNWHRSA-N 0 0 174.243 2.551 10 0 AFAERN CN(C)c1cccc(/C=C\Cl)c1 220342250 573471231 /nfs/dbraw/zinc/47/12/31/573471231.db2.gz MOWNHMOHPFPMDZ-SREVYHEPSA-N 0 0 181.666 2.962 10 0 AFAERN CCOC(=O)[C@H]1C[C@H](C)CCC12CC2 259612360 573471192 /nfs/dbraw/zinc/47/11/92/573471192.db2.gz FBUGSNCHIOOWFO-NXEZZACHSA-N 0 0 196.290 2.766 10 0 AFAERN CCOC(=O)C[C@@H](C(C)C)C1CC1 259465516 573471215 /nfs/dbraw/zinc/47/12/15/573471215.db2.gz APBZHQOLZPBWDE-JTQLQIEISA-N 0 0 184.279 2.622 10 0 AFAERN CCCC[C@H](O)/C=C\[C@@H]1CCC=CO1 308583098 573471216 /nfs/dbraw/zinc/47/12/16/573471216.db2.gz KVEQAJDUVYSNEV-RTVKQWPZSA-N 0 0 196.290 2.786 10 0 AFAERN Oc1cccc([C@H]2CCC[C@@H]2F)c1 107278929 573471281 /nfs/dbraw/zinc/47/12/81/573471281.db2.gz AVYZIAIVSFRCBY-MNOVXSKESA-N 0 0 180.222 2.998 10 0 AFAERN CCC(=O)[C@@H]1C[C@@H]1CC(C)C 223092895 573471320 /nfs/dbraw/zinc/47/13/20/573471320.db2.gz FQQKBTVJDKSTTE-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@H](C)[C@H](C)Nc1ccnn1CC 308583841 573471329 /nfs/dbraw/zinc/47/13/29/573471329.db2.gz HQVVDYUIUBEKBJ-UWVGGRQHSA-N 0 0 195.310 2.750 10 0 AFAERN CCCCc1cc(OC)c(N)cc1C 308584149 573471765 /nfs/dbraw/zinc/47/17/65/573471765.db2.gz LGAPLQLAHNUBOC-UHFFFAOYSA-N 0 0 193.290 2.928 10 0 AFAERN CC(C)C1CCC(C(N)=S)CC1 83341108 573471388 /nfs/dbraw/zinc/47/13/88/573471388.db2.gz BHVKLWYULLXISE-UHFFFAOYSA-N 0 0 185.336 2.735 10 0 AFAERN Cl/C=C(\Cl)C1CC1 78097813 573471399 /nfs/dbraw/zinc/47/13/99/573471399.db2.gz AJQAGFIGYMDSGC-HYXAFXHYSA-N 0 0 137.009 2.715 10 0 AFAERN Oc1cccc([C@@H](F)C2CC2)c1 107278893 573471416 /nfs/dbraw/zinc/47/14/16/573471416.db2.gz BTHGFNACCNJCNS-JTQLQIEISA-N 0 0 166.195 2.813 10 0 AFAERN Cc1ccsc1NC(=O)S 258663386 573471429 /nfs/dbraw/zinc/47/14/29/573471429.db2.gz IQAIYSSMDTUVLZ-UHFFFAOYSA-N 0 0 173.262 2.518 10 0 AFAERN COc1c(F)ccc2c(Cl)c[nH]c12 238409085 573471468 /nfs/dbraw/zinc/47/14/68/573471468.db2.gz ULNJLIYVXRPLSX-UHFFFAOYSA-N 0 0 199.612 2.969 10 0 AFAERN c1ccc2c(c1)C[C@@H](c1ccoc1)N2 83389027 573471554 /nfs/dbraw/zinc/47/15/54/573471554.db2.gz GJQQLXGCFNTUNG-LBPRGKRZSA-N 0 0 185.226 2.989 10 0 AFAERN CC(=O)c1cccc([C@@H]2CCCO2)c1 257820751 573471562 /nfs/dbraw/zinc/47/15/62/573471562.db2.gz FWXASTBDHGCNQI-LBPRGKRZSA-N 0 0 190.242 2.741 10 0 AFAERN CNc1nc(C)c(C2CCCC2)o1 258665265 573471565 /nfs/dbraw/zinc/47/15/65/573471565.db2.gz UURQFXWVQXDQON-UHFFFAOYSA-N 0 0 180.251 2.682 10 0 AFAERN O=Cc1ccc([C@@H](F)C2CC2)cc1 107281166 573471667 /nfs/dbraw/zinc/47/16/67/573471667.db2.gz BSLKNVNCSWKTGH-LLVKDONJSA-N 0 0 178.206 2.920 10 0 AFAERN CC(C)[C@H](C)N(C)c1ccc(C=O)o1 50544162 573477303 /nfs/dbraw/zinc/47/73/03/573477303.db2.gz APIMFJONFOMLFV-VIFPVBQESA-N 0 0 195.262 2.573 10 0 AFAERN C[C@H]1CCC[C@@]1(O)c1cccs1 83395045 573477367 /nfs/dbraw/zinc/47/73/67/573477367.db2.gz VMQLXBYRORRVNZ-WPRPVWTQSA-N 0 0 182.288 2.756 10 0 AFAERN C[C@H]1CCC[C@@]1(O)Cc1ccccc1 83395339 573476433 /nfs/dbraw/zinc/47/64/33/573476433.db2.gz UAWRLINGFSVNMS-WCQYABFASA-N 0 0 190.286 2.780 10 0 AFAERN C[C@@]12CCCC[C@@H](CCC1)C2=O 223095367 573476500 /nfs/dbraw/zinc/47/65/00/573476500.db2.gz LVNSDIUBSKEDJY-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1CC[C@]23CCC[C@@H]2CC(=O)[C@@H]13 238414509 573476538 /nfs/dbraw/zinc/47/65/38/573476538.db2.gz ABLSKSZNILWYHJ-CNVPUSNMSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@@H](O)C(F)(F)CC1CCCC1 257818468 573477334 /nfs/dbraw/zinc/47/73/34/573477334.db2.gz DZNPVPHTRNIXCF-SSDOTTSWSA-N 0 0 178.222 2.583 10 0 AFAERN C[C@@H]1CCC[C@@]1(O)C1CCCC1 83395470 573476040 /nfs/dbraw/zinc/47/60/40/573476040.db2.gz RKLMSWJJGDKWLD-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1CCC[C@@H]1Nc1ccc(O)cc1 83390476 573476061 /nfs/dbraw/zinc/47/60/61/573476061.db2.gz ZRGQGLGDPYHCAK-SKDRFNHKSA-N 0 0 191.274 2.993 10 0 AFAERN Oc1ccccc1[C@@H]1CCC[C@@H]1F 107279329 573476063 /nfs/dbraw/zinc/47/60/63/573476063.db2.gz GIFQZHBCWIADRQ-WPRPVWTQSA-N 0 0 180.222 2.998 10 0 AFAERN CC(C)(C)C1=NC(=S)CS1 259468763 573476115 /nfs/dbraw/zinc/47/61/15/573476115.db2.gz ZHZGVRGMSVTCAR-UHFFFAOYSA-N 0 0 173.306 2.729 10 0 AFAERN CCOC(OCC)c1cc(C)co1 78101111 573476120 /nfs/dbraw/zinc/47/61/20/573476120.db2.gz JXMBOGYVAIKZLH-UHFFFAOYSA-N 0 0 184.235 2.660 10 0 AFAERN CCC(CC)CCNc1ncccn1 308585231 573476133 /nfs/dbraw/zinc/47/61/33/573476133.db2.gz ICVJZUQGSUYOPI-UHFFFAOYSA-N 0 0 193.294 2.715 10 0 AFAERN O=Cc1cccc([C@H](F)C2CC2)c1 107281295 573476172 /nfs/dbraw/zinc/47/61/72/573476172.db2.gz DXVCQCPZBLADJD-LLVKDONJSA-N 0 0 178.206 2.920 10 0 AFAERN C[C@H](F)c1cccc(C=O)c1 107281274 573476176 /nfs/dbraw/zinc/47/61/76/573476176.db2.gz NMTGNQRSBGFCGD-ZETCQYMHSA-N 0 0 152.168 2.530 10 0 AFAERN CCCCCN(C)c1ccc(C=O)o1 50544136 573476196 /nfs/dbraw/zinc/47/61/96/573476196.db2.gz GLQYWGRRHCLGQD-UHFFFAOYSA-N 0 0 195.262 2.719 10 0 AFAERN C[C@H]1CCC[C@H]1Nc1ccc(O)cc1 83390479 573476233 /nfs/dbraw/zinc/47/62/33/573476233.db2.gz ZRGQGLGDPYHCAK-JOYOIKCWSA-N 0 0 191.274 2.993 10 0 AFAERN CC(C)OC[C@@H]1CCCCC(=O)C1 86528263 573476330 /nfs/dbraw/zinc/47/63/30/573476330.db2.gz QQKDJSNEAODKTM-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN CC1(C)CC[C@H](CCF)[C@H](O)C1 717451972 573476344 /nfs/dbraw/zinc/47/63/44/573476344.db2.gz AAFSWFCLEDJRDA-RKDXNWHRSA-N 0 0 174.259 2.533 10 0 AFAERN CC[C@H](C)N(CC)c1ccc(C=O)o1 50544135 573476360 /nfs/dbraw/zinc/47/63/60/573476360.db2.gz QRYAAENOEYTXDC-VIFPVBQESA-N 0 0 195.262 2.717 10 0 AFAERN COC(=O)c1cc2c(o1)CCC[C@H]2C 259469913 573476404 /nfs/dbraw/zinc/47/64/04/573476404.db2.gz BJJLZHRPGJSFTL-SSDOTTSWSA-N 0 0 194.230 2.506 10 0 AFAERN CCCC[C@H](O)c1cnccc1Cl 238237506 573476522 /nfs/dbraw/zinc/47/65/22/573476522.db2.gz ZOIRTYJADOCVAW-JTQLQIEISA-N 0 0 199.681 2.959 10 0 AFAERN Cc1ccccc1C(F)(F)C1(N)CC1 257818286 573476576 /nfs/dbraw/zinc/47/65/76/573476576.db2.gz FAZJYQFKCADWJE-UHFFFAOYSA-N 0 0 197.228 2.578 10 0 AFAERN COCC(C)(C)[C@@H]1CC[C@H](C)CC1=O 86528303 573476642 /nfs/dbraw/zinc/47/66/42/573476642.db2.gz SEEGGHHHNZMWFU-VHSXEESVSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@H]1CCC[C@H]1Nc1cccc(O)c1 83390027 573476644 /nfs/dbraw/zinc/47/66/44/573476644.db2.gz YJKCUKUXLSQRQZ-JOYOIKCWSA-N 0 0 191.274 2.993 10 0 AFAERN CC(C)OC[C@H]1CCCCC(=O)C1 86528265 573476815 /nfs/dbraw/zinc/47/68/15/573476815.db2.gz QQKDJSNEAODKTM-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)(C)c1noc2cc(N)ccc12 257818291 573476914 /nfs/dbraw/zinc/47/69/14/573476914.db2.gz FBGXMYAMXHNBGD-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN CCC[C@@]1(C)C[C@@H]1CNC(=O)OCC 238236256 573476972 /nfs/dbraw/zinc/47/69/72/573476972.db2.gz RJWVDBHEMIAJPS-KOLCDFICSA-N 0 0 199.294 2.559 10 0 AFAERN CCCc1ccc(N(C)C(C)=O)cc1 258666213 573477013 /nfs/dbraw/zinc/47/70/13/573477013.db2.gz BZEAREBJVPLBNN-UHFFFAOYSA-N 0 0 191.274 2.622 10 0 AFAERN C[C@H]1CCC[C@@]1(O)CCC(F)(F)F 83395877 573477022 /nfs/dbraw/zinc/47/70/22/573477022.db2.gz ABWQIJODVYQLEL-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1ccsc1C[C@H](CO)C(C)C 259469216 573477067 /nfs/dbraw/zinc/47/70/67/573477067.db2.gz RPARZVXVOJSTIF-SNVBAGLBSA-N 0 0 198.331 2.864 10 0 AFAERN CC(C)C(=O)CC[C@@H]1CCC[C@@H](O)C1 308585488 573477071 /nfs/dbraw/zinc/47/70/71/573477071.db2.gz RQRNUKOMTLEGTG-WDEREUQCSA-N 0 0 198.306 2.543 10 0 AFAERN C[C@@H]1CCC[C@@H]2NC(=S)CC[C@H]21 238413519 573477178 /nfs/dbraw/zinc/47/71/78/573477178.db2.gz XBZTVBWOFOUOIH-VGMNWLOBSA-N 0 0 183.320 2.502 10 0 AFAERN C[C@@H]1CCC[C@@]1(O)CCC(F)(F)F 83395875 573477272 /nfs/dbraw/zinc/47/72/72/573477272.db2.gz ABWQIJODVYQLEL-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN C[C@@H]1CC(=O)[C@@H]2CCCC[C@@]12C 238414546 573477301 /nfs/dbraw/zinc/47/73/01/573477301.db2.gz DRLRBCVPOBNTCO-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CCC[C@H]1Nc1ccc(O)cc1 83390478 573477444 /nfs/dbraw/zinc/47/74/44/573477444.db2.gz ZRGQGLGDPYHCAK-BXKDBHETSA-N 0 0 191.274 2.993 10 0 AFAERN Cc1n[nH]c(C)c1N[C@H]1CCC[C@H]1C 83390289 573477630 /nfs/dbraw/zinc/47/76/30/573477630.db2.gz QESRRAVQJIOGHR-XCBNKYQSSA-N 0 0 193.294 2.627 10 0 AFAERN COCC(C)(C)[C@H]1CC[C@H](C)CC1=O 86528298 573477600 /nfs/dbraw/zinc/47/76/00/573477600.db2.gz SEEGGHHHNZMWFU-UWVGGRQHSA-N 0 0 198.306 2.664 10 0 AFAERN COCC(C)(C)[C@H]1CC[C@@H](C)CC1=O 86528297 573477917 /nfs/dbraw/zinc/47/79/17/573477917.db2.gz SEEGGHHHNZMWFU-ZJUUUORDSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@@H]1CCC[C@H]1Nc1cccnc1 83389560 573478040 /nfs/dbraw/zinc/47/80/40/573478040.db2.gz JXADOUHXGKYZEL-MWLCHTKSSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@@H]1CCC[C@@](C)(CCO)C1 238414404 573478089 /nfs/dbraw/zinc/47/80/89/573478089.db2.gz MENFXRGZYHDFEZ-ZJUUUORDSA-N 0 0 156.269 2.585 10 0 AFAERN COCC(C)(C)[C@@H]1CC[C@@H](C)CC1=O 86528301 573478102 /nfs/dbraw/zinc/47/81/02/573478102.db2.gz SEEGGHHHNZMWFU-NXEZZACHSA-N 0 0 198.306 2.664 10 0 AFAERN Cc1ccsc1C[C@@H](CO)C(C)C 259469215 573478143 /nfs/dbraw/zinc/47/81/43/573478143.db2.gz RPARZVXVOJSTIF-JTQLQIEISA-N 0 0 198.331 2.864 10 0 AFAERN C[C@H]1CCC[C@]1(O)CCC(F)(F)F 83395872 573478162 /nfs/dbraw/zinc/47/81/62/573478162.db2.gz ABWQIJODVYQLEL-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN CC(C)OC[C@H]1CCCCCC1=O 86527542 573478207 /nfs/dbraw/zinc/47/82/07/573478207.db2.gz OQYFDGSZOVTBKN-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN C[C@@H]1CC[C@]23CCC(=O)[C@@H]2CC[C@@H]13 238414487 573478228 /nfs/dbraw/zinc/47/82/28/573478228.db2.gz FTDKUPCXBNLMJI-FYLLDIAZSA-N 0 0 178.275 2.792 10 0 AFAERN CCNc1nc2c(s1)CC[C@@H]2C 83389694 573478248 /nfs/dbraw/zinc/47/82/48/573478248.db2.gz WHGSQAYPSGSLDM-LURJTMIESA-N 0 0 182.292 2.625 10 0 AFAERN C[C@H]1CCC[C@H]1Nc1cccnc1 83389561 573478253 /nfs/dbraw/zinc/47/82/53/573478253.db2.gz JXADOUHXGKYZEL-GXSJLCMTSA-N 0 0 176.263 2.682 10 0 AFAERN C[C@H]1CCC[C@@H]1Nc1ccc(O)cc1 83390477 573478312 /nfs/dbraw/zinc/47/83/12/573478312.db2.gz ZRGQGLGDPYHCAK-CABZTGNLSA-N 0 0 191.274 2.993 10 0 AFAERN CP(C)(=O)[C@@H](O)C1CCCCC1 238413594 573478327 /nfs/dbraw/zinc/47/83/27/573478327.db2.gz NCKJPXPRVPGGEN-SECBINFHSA-N 0 0 190.223 2.508 10 0 AFAERN C[C@@H]1CCC[C@@]1(O)Cc1ccccc1 83395331 573478370 /nfs/dbraw/zinc/47/83/70/573478370.db2.gz UAWRLINGFSVNMS-DGCLKSJQSA-N 0 0 190.286 2.780 10 0 AFAERN Cc1cccc2c(CCO)ccc-2c1 224163880 573478425 /nfs/dbraw/zinc/47/84/25/573478425.db2.gz ZYBLGFFIOOSNHC-UHFFFAOYSA-N 0 0 186.254 2.635 10 0 AFAERN O=Cc1occc1-c1cccc(F)c1 236252511 573478436 /nfs/dbraw/zinc/47/84/36/573478436.db2.gz VWFJMBMOBVQDOH-UHFFFAOYSA-N 0 0 190.173 2.898 10 0 AFAERN CC(C)C[C@@]1(O)CCC[C@@H]1C 83395622 573478464 /nfs/dbraw/zinc/47/84/64/573478464.db2.gz RCIFEPOAAWAPEZ-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CC1(C)CC[C@@H](CCF)[C@H](O)C1 717451969 573478480 /nfs/dbraw/zinc/47/84/80/573478480.db2.gz AAFSWFCLEDJRDA-DTWKUNHWSA-N 0 0 174.259 2.533 10 0 AFAERN C[C@H]1CCc2sc(NC3CC3)nc21 83389701 573478483 /nfs/dbraw/zinc/47/84/83/573478483.db2.gz KGXXIJWZPOWEBF-LURJTMIESA-N 0 0 194.303 2.767 10 0 AFAERN CC/C=C/CC/C=C(\C)CNC(C)=O 142061903 573478514 /nfs/dbraw/zinc/47/85/14/573478514.db2.gz RNZMMPGCNXHIDZ-ZMLXFWSASA-N 0 0 195.306 2.815 10 0 AFAERN C[C@H]1CCC[C@@]1(O)C1CCCC1 83395472 573478519 /nfs/dbraw/zinc/47/85/19/573478519.db2.gz RKLMSWJJGDKWLD-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1CCC[C@]1(O)c1cccs1 83395037 573478570 /nfs/dbraw/zinc/47/85/70/573478570.db2.gz VMQLXBYRORRVNZ-PSASIEDQSA-N 0 0 182.288 2.756 10 0 AFAERN C[C@@H]1C(=O)C[C@@H](C)c2ccccc21 238414193 573478652 /nfs/dbraw/zinc/47/86/52/573478652.db2.gz HIGDFXWBJGQPGT-BDAKNGLRSA-N 0 0 174.243 2.866 10 0 AFAERN Oc1ccc2c(C3CCC3)noc2c1 257818300 573478675 /nfs/dbraw/zinc/47/86/75/573478675.db2.gz FBRWGSBMJSHTKN-UHFFFAOYSA-N 0 0 189.214 2.801 10 0 AFAERN C[C@@H]1CC(=O)[C@@H]2CC(C)(C)C[C@@H]12 238414479 573478683 /nfs/dbraw/zinc/47/86/83/573478683.db2.gz VPEKXVSPHQJDAQ-HRDYMLBCSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CCc2c(NC(C)(C)C)n[nH]c21 83390096 573478689 /nfs/dbraw/zinc/47/86/89/573478689.db2.gz IYCDZPKMGCPOBJ-SSDOTTSWSA-N 0 0 193.294 2.670 10 0 AFAERN C[C@H]1CCc2c(NC(C)(C)C)n[nH]c21 83390097 573478696 /nfs/dbraw/zinc/47/86/96/573478696.db2.gz IYCDZPKMGCPOBJ-ZETCQYMHSA-N 0 0 193.294 2.670 10 0 AFAERN CC1=NC(C(C)C)SC1=S 259468946 573478699 /nfs/dbraw/zinc/47/86/99/573478699.db2.gz ZKUGNRGSYNVUEK-UHFFFAOYSA-N 0 0 173.306 2.864 10 0 AFAERN C[C@@H]1CCC[C@H]1Nc1cccc(O)c1 83390026 573478749 /nfs/dbraw/zinc/47/87/49/573478749.db2.gz YJKCUKUXLSQRQZ-BXKDBHETSA-N 0 0 191.274 2.993 10 0 AFAERN CSc1ccc(CF)c(O)c1 238413437 573478788 /nfs/dbraw/zinc/47/87/88/573478788.db2.gz JAJDIHCSOGAIHV-UHFFFAOYSA-N 0 0 172.224 2.584 10 0 AFAERN C[C@@H]1CCC[C@@H]1Nc1cccnc1 83389558 573478824 /nfs/dbraw/zinc/47/88/24/573478824.db2.gz JXADOUHXGKYZEL-KOLCDFICSA-N 0 0 176.263 2.682 10 0 AFAERN CC(C)Cc1nc(C(C)(C)O)cs1 259464330 573478839 /nfs/dbraw/zinc/47/88/39/573478839.db2.gz ZBBWPPHCPUMINR-UHFFFAOYSA-N 0 0 199.319 2.569 10 0 AFAERN C[C@@H]1CC[C@]23CC=C[C@@]2(C)C(=O)C[C@@H]13 238414465 573478914 /nfs/dbraw/zinc/47/89/14/573478914.db2.gz GSMMVUKPKDFIOA-URBCHYCLSA-N 0 0 190.286 2.958 10 0 AFAERN CC1(C)CC[C@@H](CCF)[C@@H](O)C1 717451970 573478915 /nfs/dbraw/zinc/47/89/15/573478915.db2.gz AAFSWFCLEDJRDA-IUCAKERBSA-N 0 0 174.259 2.533 10 0 AFAERN CC(C)[C@H](O)CC[C@H]1CCCS1 715827138 573479991 /nfs/dbraw/zinc/47/99/91/573479991.db2.gz USVLNEDHNBSTCC-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H]1CC(=O)[C@@H]1C1=CCCCC1 238414419 573480472 /nfs/dbraw/zinc/48/04/72/573480472.db2.gz QSRAUSOLKUHCAI-KCJUWKMLSA-N 0 0 164.248 2.712 10 0 AFAERN S=C1CSC(C2CCC2)=N1 259105847 573480494 /nfs/dbraw/zinc/48/04/94/573480494.db2.gz AVBIKBCAMYPQKH-UHFFFAOYSA-N 0 0 171.290 2.699 10 0 AFAERN CC(C)OCC1=C[C@H](O)CC(C)(C)C1 86529486 573480036 /nfs/dbraw/zinc/48/00/36/573480036.db2.gz JIKLQWIJVDYGQM-NSHDSACASA-N 0 0 198.306 2.519 10 0 AFAERN C[C@@H]1CCC[C@]1(O)C1CCCC1 83395465 573480094 /nfs/dbraw/zinc/48/00/94/573480094.db2.gz RKLMSWJJGDKWLD-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN CCc1ccc(NCCC(C)=O)cc1 258669761 573480138 /nfs/dbraw/zinc/48/01/38/573480138.db2.gz OKOJZZLYFAAZAY-UHFFFAOYSA-N 0 0 191.274 2.640 10 0 AFAERN ClC1(C2CCCCC2)COC1 258497622 573481891 /nfs/dbraw/zinc/48/18/91/573481891.db2.gz DKWJRUDGUFYFMI-UHFFFAOYSA-N 0 0 174.671 2.575 10 0 AFAERN C[C@H]1CCC[C@@H]1Nc1cccc(O)c1 83390025 573480191 /nfs/dbraw/zinc/48/01/91/573480191.db2.gz YJKCUKUXLSQRQZ-CABZTGNLSA-N 0 0 191.274 2.993 10 0 AFAERN CC(C)[C@@H](O)CC[C@H]1CCCS1 715827146 573480212 /nfs/dbraw/zinc/48/02/12/573480212.db2.gz USVLNEDHNBSTCC-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN CCNc1nc2c(s1)CC[C@H]2C 83389695 573480225 /nfs/dbraw/zinc/48/02/25/573480225.db2.gz WHGSQAYPSGSLDM-ZCFIWIBFSA-N 0 0 182.292 2.625 10 0 AFAERN C[C@@H]1CCC[C@]1(O)Cc1ccccc1 83395329 573480254 /nfs/dbraw/zinc/48/02/54/573480254.db2.gz UAWRLINGFSVNMS-YPMHNXCESA-N 0 0 190.286 2.780 10 0 AFAERN CC[C@@H](C)N(CC)c1ccc(C=O)o1 50544134 573480255 /nfs/dbraw/zinc/48/02/55/573480255.db2.gz QRYAAENOEYTXDC-SECBINFHSA-N 0 0 195.262 2.717 10 0 AFAERN CC(=O)[C@@H](C)c1nc2ccccc2o1 107291816 573480263 /nfs/dbraw/zinc/48/02/63/573480263.db2.gz REZOKZYQFZVQBF-SSDOTTSWSA-N 0 0 189.214 2.520 10 0 AFAERN Cc1ccc2c(c1)CC[C@H]2[C@H](C)CO 257818906 573480327 /nfs/dbraw/zinc/48/03/27/573480327.db2.gz FFPXVIIDGMVYAC-PWSUYJOCSA-N 0 0 190.286 2.653 10 0 AFAERN CCN(CC)c1ccc(C=O)cc1C 50544728 573480344 /nfs/dbraw/zinc/48/03/44/573480344.db2.gz QUDDIYPEFRNDBI-UHFFFAOYSA-N 0 0 191.274 2.654 10 0 AFAERN CC(C)[C@@H](C)N(C)c1ccc(C=O)o1 50544161 573480368 /nfs/dbraw/zinc/48/03/68/573480368.db2.gz APIMFJONFOMLFV-SECBINFHSA-N 0 0 195.262 2.573 10 0 AFAERN Cc1n[nH]c(C)c1N[C@@H]1CCC[C@@H]1C 83390286 573480372 /nfs/dbraw/zinc/48/03/72/573480372.db2.gz QESRRAVQJIOGHR-OIBJUYFYSA-N 0 0 193.294 2.627 10 0 AFAERN CCOC(=O)c1cc2sccc2o1 259467645 573480387 /nfs/dbraw/zinc/48/03/87/573480387.db2.gz MNXMDJRLMMLGDB-UHFFFAOYSA-N 0 0 196.227 2.671 10 0 AFAERN CC(=O)[C@H](C)c1nc2ccccc2o1 107291817 573482075 /nfs/dbraw/zinc/48/20/75/573482075.db2.gz REZOKZYQFZVQBF-ZETCQYMHSA-N 0 0 189.214 2.520 10 0 AFAERN C[C@@H](O)/C(Cl)=C/c1ccccc1 238414853 573482101 /nfs/dbraw/zinc/48/21/01/573482101.db2.gz VDEANHFRYLIPPK-FBHKUJJOSA-N 0 0 182.650 2.647 10 0 AFAERN CCCC[C@H](NN)c1ccc(CC)o1 130152301 573482129 /nfs/dbraw/zinc/48/21/29/573482129.db2.gz QOVFWYYSRKZHAA-JTQLQIEISA-N 0 0 196.294 2.537 10 0 AFAERN CCc1cc(F)nc(CCC(C)C)n1 689963079 573482132 /nfs/dbraw/zinc/48/21/32/573482132.db2.gz MHRTYFBNOSHTAL-UHFFFAOYSA-N 0 0 196.269 2.767 10 0 AFAERN CCCC[C@H](NN)C1(CC)CCCC1 130140663 573482179 /nfs/dbraw/zinc/48/21/79/573482179.db2.gz IHXWJQCJWYRZMO-NSHDSACASA-N 0 0 198.354 2.979 10 0 AFAERN C[C@@H]1CCc2c(F)cccc2N1 238415682 573482247 /nfs/dbraw/zinc/48/22/47/573482247.db2.gz JNIBYBNKSKCKTC-SSDOTTSWSA-N 0 0 165.211 2.572 10 0 AFAERN C[C@@H]1CC(=O)[C@@]2(C)C=CC=CC=C12 238415361 573482272 /nfs/dbraw/zinc/48/22/72/573482272.db2.gz ANZMZRGJDCBNHD-SKDRFNHKSA-N 0 0 174.243 2.654 10 0 AFAERN C[C@@H]1CC(=O)[C@H](C)C(C)(C)C1 238415734 573482323 /nfs/dbraw/zinc/48/23/23/573482323.db2.gz UTOBIFXJOOZWSF-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CCCCCCC(=O)[C@@H]1CCC[C@H]1O 308595146 573482388 /nfs/dbraw/zinc/48/23/88/573482388.db2.gz RKSGWWWVYLFTPQ-CMPLNLGQSA-N 0 0 198.306 2.687 10 0 AFAERN Cc1c(C=O)cnc2c(C)cccc12 257819437 573482396 /nfs/dbraw/zinc/48/23/96/573482396.db2.gz FGNIPXGUGUOSDV-UHFFFAOYSA-N 0 0 185.226 2.664 10 0 AFAERN CC1=CC=C[C@]2(C)C(=O)C[C@@H](C)[C@@H]12 238415333 573482493 /nfs/dbraw/zinc/48/24/93/573482493.db2.gz WGEMJPVXIUZKDO-YUSALJHKSA-N 0 0 176.259 2.734 10 0 AFAERN C[C@@]12C=CCC[C@@H]1CCCC2=O 238415278 573482543 /nfs/dbraw/zinc/48/25/43/573482543.db2.gz JTWNOHYBBIKOOX-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN CCC(CC)CNc1ccc(N)nc1 130203758 573482553 /nfs/dbraw/zinc/48/25/53/573482553.db2.gz KKLCANLRBXSKNN-UHFFFAOYSA-N 0 0 193.294 2.512 10 0 AFAERN C[C@@]12C=CC[C@H]1CCCCC2=O 238415745 573482576 /nfs/dbraw/zinc/48/25/76/573482576.db2.gz KYYJEQVPAYHJRU-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN COCC[C@@H](C)[C@@H]1CCCCCC1=O 162444354 573482700 /nfs/dbraw/zinc/48/27/00/573482700.db2.gz YYCQEGFCYGSBGE-MNOVXSKESA-N 0 0 198.306 2.808 10 0 AFAERN C[C@@H]1CC(=O)[C@@]2(C)CCCC[C@@H]12 238415441 573482732 /nfs/dbraw/zinc/48/27/32/573482732.db2.gz BNIUESCYQFJTNY-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN CCCC[C@@H](NN)c1ccc(CC)o1 130152489 573482789 /nfs/dbraw/zinc/48/27/89/573482789.db2.gz QOVFWYYSRKZHAA-SNVBAGLBSA-N 0 0 196.294 2.537 10 0 AFAERN CCCCCCC(=O)[C@H]1CCC[C@H]1O 308595149 573482909 /nfs/dbraw/zinc/48/29/09/573482909.db2.gz RKSGWWWVYLFTPQ-ZYHUDNBSSA-N 0 0 198.306 2.687 10 0 AFAERN C[C@H]1c2cc(Cl)ccc2CC[C@@H]1O 259106926 573483128 /nfs/dbraw/zinc/48/31/28/573483128.db2.gz FESCZKVMXYIGAN-CPCISQLKSA-N 0 0 196.677 2.751 10 0 AFAERN COCNc1ccccc1C(C)(C)C 258674312 573483179 /nfs/dbraw/zinc/48/31/79/573483179.db2.gz ORNPBIUFKDAIQQ-UHFFFAOYSA-N 0 0 193.290 3.000 10 0 AFAERN CCCCCCC(=O)[C@@H]1CCC[C@@H]1O 308595147 573483199 /nfs/dbraw/zinc/48/31/99/573483199.db2.gz RKSGWWWVYLFTPQ-JQWIXIFHSA-N 0 0 198.306 2.687 10 0 AFAERN CNc1nc(CC2CCCCC2)co1 258675364 573483245 /nfs/dbraw/zinc/48/32/45/573483245.db2.gz VTLYHJKWVJYQKZ-UHFFFAOYSA-N 0 0 194.278 2.839 10 0 AFAERN Cc1ncccc1-c1ccc(C=O)cc1 715291784 573483296 /nfs/dbraw/zinc/48/32/96/573483296.db2.gz VXGUITABPYDRKT-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN C[C@@H]1CC(=O)[C@@]2(C)[C@@H]1C21CCCC1 238415555 573483433 /nfs/dbraw/zinc/48/34/33/573483433.db2.gz JGPJPFPHDUZXGS-IEBDPFPHSA-N 0 0 178.275 2.792 10 0 AFAERN Cc1cc(C)c(N)c(-c2ncco2)c1 143242503 573483383 /nfs/dbraw/zinc/48/33/83/573483383.db2.gz VEVUDVDUSBSZJG-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CC(=O)c1cc(O)cc(C(C)C)c1 258046090 573484551 /nfs/dbraw/zinc/48/45/51/573484551.db2.gz QSRDIAICUZBKIV-UHFFFAOYSA-N 0 0 178.231 2.718 10 0 AFAERN C[C@]1(C2CCCCC2)COC(=O)C1 257818521 573484704 /nfs/dbraw/zinc/48/47/04/573484704.db2.gz FBKJNDMIHACFRA-LLVKDONJSA-N 0 0 182.263 2.520 10 0 AFAERN C[C@@H]1CC(=O)[C@]2(C)CC=C[C@@]1(C)C2 238417037 573489394 /nfs/dbraw/zinc/48/93/94/573489394.db2.gz CKTHQCGKHHNDME-ADEWGFFLSA-N 0 0 178.275 2.958 10 0 AFAERN CCc1cc(F)nc([C@@H](C)CC)n1 689962058 573486674 /nfs/dbraw/zinc/48/66/74/573486674.db2.gz BZLOIHKUDPYSCV-ZETCQYMHSA-N 0 0 182.242 2.692 10 0 AFAERN CCCC(C)(C)NC(=O)C(C)(C)C 126361531 573486695 /nfs/dbraw/zinc/48/66/95/573486695.db2.gz QZEDZZYSXIUVBJ-UHFFFAOYSA-N 0 0 185.311 2.727 10 0 AFAERN C[C@@H]1c2cc(Cl)ccc2CC[C@@H]1O 259106930 573486704 /nfs/dbraw/zinc/48/67/04/573486704.db2.gz FESCZKVMXYIGAN-HQJQHLMTSA-N 0 0 196.677 2.751 10 0 AFAERN C=C=C1CC[C@H]2CCC(=O)C[C@@]12C 238416749 573486752 /nfs/dbraw/zinc/48/67/52/573486752.db2.gz RVJXIRRKZTUWPX-JQWIXIFHSA-N 0 0 176.259 2.867 10 0 AFAERN CCc1[nH+]cc2c(Cl)cccn12 258497524 573486797 /nfs/dbraw/zinc/48/67/97/573486797.db2.gz YXUVJHAZYJPSBC-UHFFFAOYSA-N 0 0 180.638 2.550 10 0 AFAERN C[C@@H]1CC(=O)[C@]2(C)CCCC[C@@H]12 238417047 573486836 /nfs/dbraw/zinc/48/68/36/573486836.db2.gz BNIUESCYQFJTNY-WCABBAIRSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CCC[C@@]12CCC(=O)C2 238415965 573486875 /nfs/dbraw/zinc/48/68/75/573486875.db2.gz VIVCLVIANNVRPN-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN O=Cc1nsc2ccc(Cl)cc12 75124350 573486889 /nfs/dbraw/zinc/48/68/89/573486889.db2.gz GOFFGFFDRHRHRR-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN COCNc1ccc(C(C)C)cc1 258674427 573486901 /nfs/dbraw/zinc/48/69/01/573486901.db2.gz OSQVFNKONQSTJE-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CCOC(=O)[C@H]1CCCCC12CC2 259471041 573486917 /nfs/dbraw/zinc/48/69/17/573486917.db2.gz BLTUKCZDMJDJAI-SECBINFHSA-N 0 0 182.263 2.520 10 0 AFAERN C[C@@H]1CCC[C@@]12CCCC2=O 238416030 573487014 /nfs/dbraw/zinc/48/70/14/573487014.db2.gz KXNAUVMIQDMJNF-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN COC(=O)c1cc2c(o1)CCC[C@@H]2C 259470921 573487028 /nfs/dbraw/zinc/48/70/28/573487028.db2.gz BJJLZHRPGJSFTL-ZETCQYMHSA-N 0 0 194.230 2.506 10 0 AFAERN CC(C)c1cnccc1CC(C)(C)O 259468316 573487076 /nfs/dbraw/zinc/48/70/76/573487076.db2.gz WLVUVXHUIIKYKC-UHFFFAOYSA-N 0 0 193.290 2.518 10 0 AFAERN Cc1ccn2cc(CC(C)C)nc2c1 258038397 573487161 /nfs/dbraw/zinc/48/71/61/573487161.db2.gz SECWKSOHOXHMLV-UHFFFAOYSA-N 0 0 188.274 2.841 10 0 AFAERN C[C@@H]1c2cc(Cl)ccc2CC[C@H]1O 259106936 573487222 /nfs/dbraw/zinc/48/72/22/573487222.db2.gz FESCZKVMXYIGAN-RDDDGLTNSA-N 0 0 196.677 2.751 10 0 AFAERN CO[C@H](C)c1ccccc1C(C)=O 223665655 573487232 /nfs/dbraw/zinc/48/72/32/573487232.db2.gz LUEOMMYOGSKWKJ-SECBINFHSA-N 0 0 178.231 2.597 10 0 AFAERN C[C@H]1CNc2cccc(Cl)c2N1C 75123581 573487248 /nfs/dbraw/zinc/48/72/48/573487248.db2.gz OONJAUDIPUWQML-ZETCQYMHSA-N 0 0 196.681 2.590 10 0 AFAERN OCC/C=C\c1ccc(Cl)s1 258040151 573487405 /nfs/dbraw/zinc/48/74/05/573487405.db2.gz CLSXIMRSSWCBGR-IWQZZHSRSA-N 0 0 188.679 2.797 10 0 AFAERN Cc1c(C=O)[nH]c2cccc(Cl)c12 257820097 573489413 /nfs/dbraw/zinc/48/94/13/573489413.db2.gz FQGIAUNVSJWCID-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN CCC(CC)C[C@@H]1CCCCNC1=O 145589307 573487560 /nfs/dbraw/zinc/48/75/60/573487560.db2.gz JANIEJURKCRTDU-NSHDSACASA-N 0 0 197.322 2.729 10 0 AFAERN CCCCCC[C@@H]1C[C@@H]1CCO 214716788 573487604 /nfs/dbraw/zinc/48/76/04/573487604.db2.gz WCYLOFFSCRXLQJ-MNOVXSKESA-N 0 0 170.296 2.975 10 0 AFAERN CC(C)(C)C(C)(C)CNC(=O)S 258681246 573487682 /nfs/dbraw/zinc/48/76/82/573487682.db2.gz KYKSPDYUSUXRLQ-UHFFFAOYSA-N 0 0 189.324 2.698 10 0 AFAERN CCOC(=O)C[C@@H](CC)C1CCC1 259469783 573487764 /nfs/dbraw/zinc/48/77/64/573487764.db2.gz BELCJTQENAINOC-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN c1ncc(NC2CCCCCC2)cn1 75119881 573487816 /nfs/dbraw/zinc/48/78/16/573487816.db2.gz RLFJODLTEVGZNF-UHFFFAOYSA-N 0 0 191.278 2.611 10 0 AFAERN CSc1cc([C@H](C)O)ccc1C 258039215 573487925 /nfs/dbraw/zinc/48/79/25/573487925.db2.gz JQTLRDSENXOCRD-QMMMGPOBSA-N 0 0 182.288 2.770 10 0 AFAERN C[C@@H]1CCC[C@]2(C)C1=C[C@@H]1C(=O)[C@@H]12 238416471 573488015 /nfs/dbraw/zinc/48/80/15/573488015.db2.gz MCXQZILRVPRBDU-UJYYTQATSA-N 0 0 176.259 2.568 10 0 AFAERN Cc1cc2c(cc1O)C[C@H](C)CC2 238416302 573488074 /nfs/dbraw/zinc/48/80/74/573488074.db2.gz XRLIMVFKJXWIEG-MRVPVSSYSA-N 0 0 176.259 2.825 10 0 AFAERN C[C@@H]1CCC[C@]2(C)C(=O)CC[C@@H]12 238416490 573488126 /nfs/dbraw/zinc/48/81/26/573488126.db2.gz TXEWCORQXOCMEG-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CC(=O)[C@H]2CCCC[C@]21C 238416465 573488163 /nfs/dbraw/zinc/48/81/63/573488163.db2.gz DRLRBCVPOBNTCO-KKZNHRDASA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CC(=O)[C@H]1C1=CCCCC1 238416339 573490443 /nfs/dbraw/zinc/49/04/43/573490443.db2.gz QSRAUSOLKUHCAI-LDYMZIIASA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1CCC[C@@]2(C)CCC(=O)[C@@H]12 238416291 573488228 /nfs/dbraw/zinc/48/82/28/573488228.db2.gz GPUCRFFVDHCGRW-IEBDPFPHSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CCC[C@@]2(C)CC(=O)C[C@@H]12 238416262 573488236 /nfs/dbraw/zinc/48/82/36/573488236.db2.gz BGSNXDZKKJWPLV-MIMYLULJSA-N 0 0 166.264 2.792 10 0 AFAERN CCCCC/C(C)=C\[C@@H](C)O 143518758 573488338 /nfs/dbraw/zinc/48/83/38/573488338.db2.gz PHIDEAKFLDDAEB-HSTULFTRSA-N 0 0 156.269 2.894 10 0 AFAERN CC(=O)[C@H](C)c1c(C)cc(C)cc1O 238416977 573488396 /nfs/dbraw/zinc/48/83/96/573488396.db2.gz XHCSFOWTXAFSBR-VIFPVBQESA-N 0 0 192.258 2.702 10 0 AFAERN Cn1cc(Cl)c2cc(C=O)ccc21 75121303 573488529 /nfs/dbraw/zinc/48/85/29/573488529.db2.gz JNRPUPDHCVYDML-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN C[C@H]1CCC(=O)[C@]12CCC[C@H]2C 238416124 573488643 /nfs/dbraw/zinc/48/86/43/573488643.db2.gz VFRUMUHRPGZRRJ-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN CCCCCC[C@H]1C[C@@H]1CCO 214716838 573490322 /nfs/dbraw/zinc/49/03/22/573490322.db2.gz WCYLOFFSCRXLQJ-QWRGUYRKSA-N 0 0 170.296 2.975 10 0 AFAERN CCn1cc(COC)c2ccccc21 258039124 573488694 /nfs/dbraw/zinc/48/86/94/573488694.db2.gz NLKRQPMXSURXJM-UHFFFAOYSA-N 0 0 189.258 2.808 10 0 AFAERN C[C@H](CO)c1ccccc1C(C)(C)F 258039125 573488742 /nfs/dbraw/zinc/48/87/42/573488742.db2.gz JOPICLHBKQIZPU-SECBINFHSA-N 0 0 196.265 2.987 10 0 AFAERN CC(C)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 143597315 573488803 /nfs/dbraw/zinc/48/88/03/573488803.db2.gz GYWHHKFEGKGDTB-AEJSXWLSSA-N 0 0 166.264 2.648 10 0 AFAERN COc1ccc(C)cc1NC1CC1 75119111 573488831 /nfs/dbraw/zinc/48/88/31/573488831.db2.gz YILHYJUNVSPCML-UHFFFAOYSA-N 0 0 177.247 2.578 10 0 AFAERN C[C@@H]1CC(=O)[C@]2(C)C=CC=CC=C12 238417009 573488943 /nfs/dbraw/zinc/48/89/43/573488943.db2.gz ANZMZRGJDCBNHD-BXKDBHETSA-N 0 0 174.243 2.654 10 0 AFAERN C=C=C1CC[C@@H]2CCC(=O)C[C@@]12C 238416849 573488964 /nfs/dbraw/zinc/48/89/64/573488964.db2.gz RVJXIRRKZTUWPX-PWSUYJOCSA-N 0 0 176.259 2.867 10 0 AFAERN COc1cc2nc(Cl)[nH]c2cc1C 238406525 573489030 /nfs/dbraw/zinc/48/90/30/573489030.db2.gz BTMBUXRZYGZEMH-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN CSc1cc(F)cc(NC(C)=O)c1 238406552 573489229 /nfs/dbraw/zinc/48/92/29/573489229.db2.gz FRBJGGVMMNRYJK-UHFFFAOYSA-N 0 0 199.250 2.506 10 0 AFAERN CN1CCCNc2cccc(Cl)c21 75123582 573489263 /nfs/dbraw/zinc/48/92/63/573489263.db2.gz OBMJDRGAZATCJG-UHFFFAOYSA-N 0 0 196.681 2.592 10 0 AFAERN CSC1=Nc2ccccc2NCC1 238416283 573489327 /nfs/dbraw/zinc/48/93/27/573489327.db2.gz ZWZVRLHHJMIAAB-UHFFFAOYSA-N 0 0 192.287 2.895 10 0 AFAERN CC1=C[C@@H]2C(=O)C[C@@H](C)[C@@H]2CC1 238416372 573489345 /nfs/dbraw/zinc/48/93/45/573489345.db2.gz DVUSAICUGFKHDX-UTLUCORTSA-N 0 0 164.248 2.568 10 0 AFAERN CSc1ccc(N)c(Cl)c1C 238416961 573489436 /nfs/dbraw/zinc/48/94/36/573489436.db2.gz CTLMVCDHANBNPW-UHFFFAOYSA-N 0 0 187.695 2.953 10 0 AFAERN C/C=C\[C@H](O)C[C@@H](C)Cc1ccco1 308601824 573489567 /nfs/dbraw/zinc/48/95/67/573489567.db2.gz UYTOLJGYDLOGIM-ZSZRGSJWSA-N 0 0 194.274 2.785 10 0 AFAERN CSc1cc([C@@H](C)O)ccc1C 258039212 573489574 /nfs/dbraw/zinc/48/95/74/573489574.db2.gz JQTLRDSENXOCRD-MRVPVSSYSA-N 0 0 182.288 2.770 10 0 AFAERN C[C@@H]1CC(=O)[C@]2(C)CC=CC[C@@H]12 238417022 573489576 /nfs/dbraw/zinc/48/95/76/573489576.db2.gz JBEVSWDQTRTOCX-WCABBAIRSA-N 0 0 164.248 2.568 10 0 AFAERN C[C@@H]1CC(=O)[C@H]2CC(C)(C)C[C@H]21 238416401 573490460 /nfs/dbraw/zinc/49/04/60/573490460.db2.gz VPEKXVSPHQJDAQ-VGMNWLOBSA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 143597107 573489760 /nfs/dbraw/zinc/48/97/60/573489760.db2.gz GYWHHKFEGKGDTB-IVZWLZJFSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1C[C@@H](C(C)(C)C)CC1=O 238416025 573489674 /nfs/dbraw/zinc/48/96/74/573489674.db2.gz JQIFMQVCQPPLGS-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN FC(F)=C(F)/C=C\Cl 393530098 573489740 /nfs/dbraw/zinc/48/97/40/573489740.db2.gz VMIFKDNQRPKERU-UPHRSURJSA-N 0 0 142.507 2.817 10 0 AFAERN CCc1ccc(C)c(C(C)(C)O)c1 258039736 573489750 /nfs/dbraw/zinc/48/97/50/573489750.db2.gz QBVOPBBLDRGJPF-UHFFFAOYSA-N 0 0 178.275 2.785 10 0 AFAERN C[C@@H]1CCC[C@@H](c2ncc[nH]2)C1 238416073 573489764 /nfs/dbraw/zinc/48/97/64/573489764.db2.gz NQSBFDNJTHNNAO-RKDXNWHRSA-N 0 0 164.252 2.703 10 0 AFAERN CCC(CC)CNc1cccnc1N 130216084 573489825 /nfs/dbraw/zinc/48/98/25/573489825.db2.gz KOFSIKNYZWAPAZ-UHFFFAOYSA-N 0 0 193.294 2.512 10 0 AFAERN CSc1ccc(CCCO)cc1C 258039135 573489830 /nfs/dbraw/zinc/48/98/30/573489830.db2.gz JOWPNDMUCBZNLZ-UHFFFAOYSA-N 0 0 196.315 2.642 10 0 AFAERN CNc1ccc(-c2cc[nH]c2)cc1 259107365 573489871 /nfs/dbraw/zinc/48/98/71/573489871.db2.gz FMWMTEMKHKALLW-UHFFFAOYSA-N 0 0 172.231 2.723 10 0 AFAERN CC1=CC=C[C@@H]2[C@H](C)CC(=O)[C@@]12C 238417134 573489876 /nfs/dbraw/zinc/48/98/76/573489876.db2.gz UDTMZUWTGIIMFK-UISBYWKRSA-N 0 0 176.259 2.734 10 0 AFAERN C[C@@H]1Cc2ccc(N)cc2NC1(C)C 238406494 573489897 /nfs/dbraw/zinc/48/98/97/573489897.db2.gz ZLWRFHXOKFTDDL-MRVPVSSYSA-N 0 0 190.290 2.652 10 0 AFAERN COc1cc2nc(C)[nH]c2cc1Cl 238406350 573489907 /nfs/dbraw/zinc/48/99/07/573489907.db2.gz LYBRCPOBRYHVAG-UHFFFAOYSA-N 0 0 196.637 2.533 10 0 AFAERN C[C@@H]1CNc2cccc(Cl)c2N1C 75123574 573490124 /nfs/dbraw/zinc/49/01/24/573490124.db2.gz OONJAUDIPUWQML-SSDOTTSWSA-N 0 0 196.681 2.590 10 0 AFAERN O=CC(Cl)c1ccccc1 143346327 573490349 /nfs/dbraw/zinc/49/03/49/573490349.db2.gz VXYVTMDRSRNWPR-VURMDHGXSA-N 0 0 154.596 2.782 10 0 AFAERN C[C@@H]1CC(=O)[C@H](C)c2ccccc21 238416120 573490369 /nfs/dbraw/zinc/49/03/69/573490369.db2.gz HIGDFXWBJGQPGT-RKDXNWHRSA-N 0 0 174.243 2.866 10 0 AFAERN Cc1cc2c(cc1O)CC[C@@H](C)C2 238416779 573490389 /nfs/dbraw/zinc/49/03/89/573490389.db2.gz ASXFZGPOXRRONT-MRVPVSSYSA-N 0 0 176.259 2.825 10 0 AFAERN C[C@@H](CO)c1ccccc1C(C)(C)F 258039128 573490405 /nfs/dbraw/zinc/49/04/05/573490405.db2.gz JOPICLHBKQIZPU-VIFPVBQESA-N 0 0 196.265 2.987 10 0 AFAERN CCCNC(=O)/C(C)=C\C(C)(C)C 308394480 573491766 /nfs/dbraw/zinc/49/17/66/573491766.db2.gz CNDJCCQXCOZIMZ-HJWRWDBZSA-N 0 0 183.295 2.505 10 0 AFAERN C[C@H](CO)c1ccc2c(c1)C[C@H](C)C2 238406853 573491508 /nfs/dbraw/zinc/49/15/08/573491508.db2.gz KEEOUHWFJDIXLF-NXEZZACHSA-N 0 0 190.286 2.517 10 0 AFAERN C[C@@H]1Cc2ccc(O)cc2C[C@H]1C 238406666 573491574 /nfs/dbraw/zinc/49/15/74/573491574.db2.gz CDJAALIWHXXEHP-RKDXNWHRSA-N 0 0 176.259 2.763 10 0 AFAERN C[C@H]1CC(C)(C)C[C@]1(O)C(F)(F)F 235608504 573491610 /nfs/dbraw/zinc/49/16/10/573491610.db2.gz PVFYVPCUZYBZSJ-POYBYMJQSA-N 0 0 196.212 2.736 10 0 AFAERN CCOc1cccc(-c2cnco2)c1 258684495 573491681 /nfs/dbraw/zinc/49/16/81/573491681.db2.gz WKOMZUWPTLFPMO-UHFFFAOYSA-N 0 0 189.214 2.740 10 0 AFAERN Fc1ccccc1-c1nc(Cl)c[nH]1 258685024 573491695 /nfs/dbraw/zinc/49/16/95/573491695.db2.gz YSZKMJOARVVSOL-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN C[C@@H]1Cc2ccc([C@@H](C)CO)cc2C1 238406792 573491705 /nfs/dbraw/zinc/49/17/05/573491705.db2.gz KEEOUHWFJDIXLF-ZJUUUORDSA-N 0 0 190.286 2.517 10 0 AFAERN CCCNC(=O)/C(C)=C/C(C)(C)C 308394479 573491813 /nfs/dbraw/zinc/49/18/13/573491813.db2.gz CNDJCCQXCOZIMZ-CMDGGOBGSA-N 0 0 183.295 2.505 10 0 AFAERN CCc1cccc(C)c1NCC(C)=O 258695311 573491819 /nfs/dbraw/zinc/49/18/19/573491819.db2.gz QTUSZPVQTXRSBE-UHFFFAOYSA-N 0 0 191.274 2.558 10 0 AFAERN CSc1ccc(C)c([C@H](C)CO)c1 258042559 573491889 /nfs/dbraw/zinc/49/18/89/573491889.db2.gz JZVSLGMWISYVDT-SECBINFHSA-N 0 0 196.315 2.813 10 0 AFAERN CC[C@@H](C)CO[NH+]=C(N)C(C)(C)C 393550795 573491906 /nfs/dbraw/zinc/49/19/06/573491906.db2.gz RGYYBCFGMSETLM-MRVPVSSYSA-N 0 0 186.299 2.577 10 0 AFAERN Clc1cnc(C2CCC2)o1 258694735 573492010 /nfs/dbraw/zinc/49/20/10/573492010.db2.gz ZJMVIUFWJWCFJK-UHFFFAOYSA-N 0 0 157.600 2.596 10 0 AFAERN CCC(CC)CNc1ccc(N)cn1 130206685 573492213 /nfs/dbraw/zinc/49/22/13/573492213.db2.gz DFENRIBTBWRAPZ-UHFFFAOYSA-N 0 0 193.294 2.512 10 0 AFAERN COc1c(F)ccc(SC)c1F 238408201 573492913 /nfs/dbraw/zinc/49/29/13/573492913.db2.gz LNAQQTPJBUIUCZ-UHFFFAOYSA-N 0 0 190.214 2.695 10 0 AFAERN CSc1ccc(C)c([C@@H](C)CO)c1 258042561 573492535 /nfs/dbraw/zinc/49/25/35/573492535.db2.gz JZVSLGMWISYVDT-VIFPVBQESA-N 0 0 196.315 2.813 10 0 AFAERN Cc1ccc(C)c(-c2c(C)c2=O)c1 258695959 573492554 /nfs/dbraw/zinc/49/25/54/573492554.db2.gz GXKSRLNGVLABJY-UHFFFAOYSA-N 0 0 172.227 2.515 10 0 AFAERN C[C@@H](c1c[nH]c2ccccc12)[C@@H](C)O 238408584 573492570 /nfs/dbraw/zinc/49/25/70/573492570.db2.gz BAYRZSDJTJCCFH-RKDXNWHRSA-N 0 0 189.258 2.652 10 0 AFAERN CSCc1ccc(N)c(Cl)c1 258041003 573492593 /nfs/dbraw/zinc/49/25/93/573492593.db2.gz DMJCNOYBRPFDKQ-UHFFFAOYSA-N 0 0 187.695 2.785 10 0 AFAERN CC(=O)C1(CC(C)C)CCC1 258686559 573492625 /nfs/dbraw/zinc/49/26/25/573492625.db2.gz VEBYOESJNASJPS-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cccc2c1OC1(CCC1)CN2 258422790 573492660 /nfs/dbraw/zinc/49/26/60/573492660.db2.gz DZNOYJIYYMHCBY-UHFFFAOYSA-N 0 0 189.258 2.722 10 0 AFAERN C[Si](C)(C)C1=CCC(=S)S1 222682294 573492671 /nfs/dbraw/zinc/49/26/71/573492671.db2.gz LEAFESGPGLNAPQ-UHFFFAOYSA-N 0 0 188.393 2.582 10 0 AFAERN CC1N=C(c2ccccc2)SC1=O 259475099 573492742 /nfs/dbraw/zinc/49/27/42/573492742.db2.gz ZYMZDPOLVNHPSQ-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Nc1cccc2cc(F)c(F)cc12 258041989 573492748 /nfs/dbraw/zinc/49/27/48/573492748.db2.gz QINSDPZADJTHLP-UHFFFAOYSA-N 0 0 179.169 2.700 10 0 AFAERN C[C@@H]1CC(=O)CCC2=C1CCC2 238408512 573492749 /nfs/dbraw/zinc/49/27/49/573492749.db2.gz XNHIRPGQLLLZDF-MRVPVSSYSA-N 0 0 164.248 2.856 10 0 AFAERN CSc1cc(O)ccc1N=O 238408495 573492933 /nfs/dbraw/zinc/49/29/33/573492933.db2.gz RCEXXAPJTVDIJS-UHFFFAOYSA-N 0 0 169.205 2.512 10 0 AFAERN CC(=O)c1ccc2c(C)cncc2c1 258042417 573492789 /nfs/dbraw/zinc/49/27/89/573492789.db2.gz JVQQIKITRSRXOL-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CSc1cc(O)c(C)cc1C 238408092 573492879 /nfs/dbraw/zinc/49/28/79/573492879.db2.gz QLOKLWOSMUKJSD-UHFFFAOYSA-N 0 0 168.261 2.731 10 0 AFAERN Oc1cccc(Oc2cnsc2)c1 258686606 573492902 /nfs/dbraw/zinc/49/29/02/573492902.db2.gz UELZAPXRGLWQHY-UHFFFAOYSA-N 0 0 193.227 2.641 10 0 AFAERN C[C@@H]1CCC[C@H](Nc2cn[nH]c2)CC1 83427342 573492962 /nfs/dbraw/zinc/49/29/62/573492962.db2.gz DHODSHVAWRRHCV-ZJUUUORDSA-N 0 0 193.294 2.790 10 0 AFAERN C[C@H](CO)c1ccc(C(C)(C)F)cc1 258042513 573493237 /nfs/dbraw/zinc/49/32/37/573493237.db2.gz JYRYZVXPZRBQCW-SECBINFHSA-N 0 0 196.265 2.987 10 0 AFAERN Nc1ccc(NCC2CCC2)cc1F 258695449 573493478 /nfs/dbraw/zinc/49/34/78/573493478.db2.gz DHVPFIFYHYSHRZ-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN C[C@@H]1CNc2ccc(C(F)F)cc2O1 258044306 573493415 /nfs/dbraw/zinc/49/34/15/573493415.db2.gz QISQRTZDVTYBNO-ZCFIWIBFSA-N 0 0 199.200 2.817 10 0 AFAERN COCNc1c(C)c(C)cc(C)c1C 259108118 573494691 /nfs/dbraw/zinc/49/46/91/573494691.db2.gz OYLKISMPNQRBDO-UHFFFAOYSA-N 0 0 193.290 2.936 10 0 AFAERN CCCCNC(=O)/C=C(\C)CCC 308393896 573494732 /nfs/dbraw/zinc/49/47/32/573494732.db2.gz CGEGBUBGGRVSRI-MDZDMXLPSA-N 0 0 183.295 2.649 10 0 AFAERN C[C@H]1CCC[C@@H](Nc2cn[nH]c2)CC1 83427345 573494851 /nfs/dbraw/zinc/49/48/51/573494851.db2.gz DHODSHVAWRRHCV-VHSXEESVSA-N 0 0 193.294 2.790 10 0 AFAERN c1cc(C2SCCS2)ccn1 258689081 573494873 /nfs/dbraw/zinc/49/48/73/573494873.db2.gz GMQDSDYDQVULPF-UHFFFAOYSA-N 0 0 183.301 2.560 10 0 AFAERN CO[C@H](C)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 86574433 573494915 /nfs/dbraw/zinc/49/49/15/573494915.db2.gz QKUUZKMIYDVYNY-UKKRHICBSA-N 0 0 198.306 2.663 10 0 AFAERN CO[C@H](C)C(=O)c1cccc(C)c1C 86574839 573497183 /nfs/dbraw/zinc/49/71/83/573497183.db2.gz VAAGPSZJIVXFCZ-SNVBAGLBSA-N 0 0 192.258 2.521 10 0 AFAERN CO[C@H](C)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 86574432 573496224 /nfs/dbraw/zinc/49/62/24/573496224.db2.gz QKUUZKMIYDVYNY-LMLFDSFASA-N 0 0 198.306 2.663 10 0 AFAERN CO[C@H](C)C(=O)c1cc(C)cc(C)c1 86574781 573496254 /nfs/dbraw/zinc/49/62/54/573496254.db2.gz URHGAZHJBDGBJC-SNVBAGLBSA-N 0 0 192.258 2.521 10 0 AFAERN CO[C@H](C)C(=O)C1C[C@H](C)C[C@@H](C)C1 86574718 573496310 /nfs/dbraw/zinc/49/63/10/573496310.db2.gz HPTYZWIFRMTSLJ-OPRDCNLKSA-N 0 0 198.306 2.663 10 0 AFAERN C[C@H]1CCC[C@](O)(C(F)(F)F)CC1 83434670 573498131 /nfs/dbraw/zinc/49/81/31/573498131.db2.gz SMSSCDRMZJGJOL-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN CO[C@H](C)C(=O)c1ccccc1Cl 86574581 573496486 /nfs/dbraw/zinc/49/64/86/573496486.db2.gz YGUWORUERUHSTQ-SSDOTTSWSA-N 0 0 198.649 2.558 10 0 AFAERN CCOc1cnc(C2CCCC2)o1 258690356 573496498 /nfs/dbraw/zinc/49/64/98/573496498.db2.gz VNKIZXSCSPZYST-UHFFFAOYSA-N 0 0 181.235 2.731 10 0 AFAERN Cc1ccc(N(C)CC(F)(F)F)o1 259108140 573496512 /nfs/dbraw/zinc/49/65/12/573496512.db2.gz OZCJLDWFQWSCCM-UHFFFAOYSA-N 0 0 193.168 2.587 10 0 AFAERN CO[C@H](C)C(=O)c1ccc(C)cc1C 86574624 573496520 /nfs/dbraw/zinc/49/65/20/573496520.db2.gz ZOKAVCKIGFQJBE-SNVBAGLBSA-N 0 0 192.258 2.521 10 0 AFAERN C[C@H]1CCC[C@]2(CC1)CC(=O)CCO2 83434802 573498184 /nfs/dbraw/zinc/49/81/84/573498184.db2.gz WVWANPZPWRJZHE-JQWIXIFHSA-N 0 0 196.290 2.705 10 0 AFAERN CO[C@@H](C)C(=O)c1cc(C)cc(C)c1 86574782 573496628 /nfs/dbraw/zinc/49/66/28/573496628.db2.gz URHGAZHJBDGBJC-JTQLQIEISA-N 0 0 192.258 2.521 10 0 AFAERN CO[C@@H](C)C(=O)c1cccc(C)c1C 86574840 573496819 /nfs/dbraw/zinc/49/68/19/573496819.db2.gz VAAGPSZJIVXFCZ-JTQLQIEISA-N 0 0 192.258 2.521 10 0 AFAERN CCc1ccccc1/C=C(\C)CO 211970456 573496893 /nfs/dbraw/zinc/49/68/93/573496893.db2.gz CWRXNXANIXDBSF-CSKARUKUSA-N 0 0 176.259 2.645 10 0 AFAERN CSc1ccc(SC(N)=O)cc1 238420451 573497065 /nfs/dbraw/zinc/49/70/65/573497065.db2.gz TVBOXAFDRYFMPO-UHFFFAOYSA-N 0 0 199.300 2.579 10 0 AFAERN Cc1ccc(-c2c[nH]c(Cl)n2)o1 258697779 573497212 /nfs/dbraw/zinc/49/72/12/573497212.db2.gz ZOHLMIDQLWINPJ-UHFFFAOYSA-N 0 0 182.610 2.632 10 0 AFAERN C[C@@H]1COc2c(ccc3occc23)N1 224935081 573497294 /nfs/dbraw/zinc/49/72/94/573497294.db2.gz OIMGZAJUNOYHTC-SSDOTTSWSA-N 0 0 189.214 2.626 10 0 AFAERN CCCC[C@]1(CC)SC=CNC1=O 238256183 573497322 /nfs/dbraw/zinc/49/73/22/573497322.db2.gz BNLMDVAUYBFCKX-JTQLQIEISA-N 0 0 199.319 2.660 10 0 AFAERN C[C@H]1COc2c(ccc3occc23)N1 224935122 573497357 /nfs/dbraw/zinc/49/73/57/573497357.db2.gz OIMGZAJUNOYHTC-ZETCQYMHSA-N 0 0 189.214 2.626 10 0 AFAERN CC(=O)N(C)c1cc(C)c(C)cc1C 258706362 573497388 /nfs/dbraw/zinc/49/73/88/573497388.db2.gz GUYYDYQJMMEMDI-UHFFFAOYSA-N 0 0 191.274 2.595 10 0 AFAERN CC(=O)CCCNc1ccccc1F 258697411 573497613 /nfs/dbraw/zinc/49/76/13/573497613.db2.gz QZMYEHOPNMZCOV-UHFFFAOYSA-N 0 0 195.237 2.607 10 0 AFAERN Cc1ccc(NNc2ccccc2)cn1 308891756 573497698 /nfs/dbraw/zinc/49/76/98/573497698.db2.gz HTJLMQMLBACLDX-UHFFFAOYSA-N 0 0 199.257 2.829 10 0 AFAERN O=C(S)Nc1ccc(Cl)s1 258699916 573497704 /nfs/dbraw/zinc/49/77/04/573497704.db2.gz NFONNEKRUDYQJN-UHFFFAOYSA-N 0 0 193.680 2.863 10 0 AFAERN O=Cc1cnc(CC2CCCCC2)o1 74248246 573497779 /nfs/dbraw/zinc/49/77/79/573497779.db2.gz KGLMWRDONNEUGZ-UHFFFAOYSA-N 0 0 193.246 2.610 10 0 AFAERN CC[C@H](CCCSC)[C@H](C)O 130261660 573497845 /nfs/dbraw/zinc/49/78/45/573497845.db2.gz VEXAMQTXCGWYFN-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN CCc1ccc(C(=O)OC2CC2)s1 308392835 573498179 /nfs/dbraw/zinc/49/81/79/573498179.db2.gz BWGPWMULQAIQTM-UHFFFAOYSA-N 0 0 196.271 2.630 10 0 AFAERN C[C@@H]1CCC[C@](O)(C(F)(F)F)CC1 83434669 573497971 /nfs/dbraw/zinc/49/79/71/573497971.db2.gz SMSSCDRMZJGJOL-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN C[C@@H]1CCC[C@@](O)(C(F)(F)F)CC1 83434671 573497990 /nfs/dbraw/zinc/49/79/90/573497990.db2.gz SMSSCDRMZJGJOL-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@@H](CCCSC)[C@H](C)O 130261420 573498063 /nfs/dbraw/zinc/49/80/63/573498063.db2.gz VEXAMQTXCGWYFN-IUCAKERBSA-N 0 0 176.325 2.537 10 0 AFAERN CCC[C@H](O)CCCSCC 130261932 573499562 /nfs/dbraw/zinc/49/95/62/573499562.db2.gz IILVGXHVPMFSJR-VIFPVBQESA-N 0 0 176.325 2.681 10 0 AFAERN CC(C)[C@]1(O)CCC[C@@H](C)CC1 83434403 573498357 /nfs/dbraw/zinc/49/83/57/573498357.db2.gz UHAQRSAKLHYOHR-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1CCC[C@H](n2nccc2N)CC1 83428162 573498421 /nfs/dbraw/zinc/49/84/21/573498421.db2.gz ASDBRIJBTVZANK-ZJUUUORDSA-N 0 0 193.294 2.607 10 0 AFAERN CCSCCC[C@@H]1CCC[C@@H]1O 130255828 573498429 /nfs/dbraw/zinc/49/84/29/573498429.db2.gz BSUQDGDEMSIJIQ-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN C[C@H](O)C[C@@H](C)OC1=CCCC[C@@H]1C 308609382 573498430 /nfs/dbraw/zinc/49/84/30/573498430.db2.gz XQKPWKTVXXRUID-GARJFASQSA-N 0 0 198.306 2.866 10 0 AFAERN CC[C@@]1(O)CCC[C@H](C)CC1 83434506 573498443 /nfs/dbraw/zinc/49/84/43/573498443.db2.gz ODYFFDWSGIMFDL-VHSXEESVSA-N 0 0 156.269 2.728 10 0 AFAERN CCCC[C@@H](C)C[C@H](C)O 78498852 573498593 /nfs/dbraw/zinc/49/85/93/573498593.db2.gz JWXYETYLPMTEJA-BDAKNGLRSA-N 0 0 144.258 2.584 10 0 AFAERN CCSCC[C@H](C(C)C)[C@@H](C)O 130303020 573498734 /nfs/dbraw/zinc/49/87/34/573498734.db2.gz NEGNALHLQZVBJD-NXEZZACHSA-N 0 0 190.352 2.783 10 0 AFAERN CC1=CC(C)(C)C[C@@H](C)[C@H]1CO 238418763 573498782 /nfs/dbraw/zinc/49/87/82/573498782.db2.gz VWDFBZCSDANOMO-ZJUUUORDSA-N 0 0 168.280 2.607 10 0 AFAERN C[C@@H]1CCC[C@H](CC(C)(C)C(N)=O)C1 238418017 573498790 /nfs/dbraw/zinc/49/87/90/573498790.db2.gz XFWCLJIHDCRDCX-ZJUUUORDSA-N 0 0 197.322 2.714 10 0 AFAERN CSCCC[C@@H](O)c1ccccc1 130258234 573498909 /nfs/dbraw/zinc/49/89/09/573498909.db2.gz GHLDKTDXPDTIGL-LLVKDONJSA-N 0 0 196.315 2.863 10 0 AFAERN COc1ccc(F)cc1[C@@H](C)C(C)=O 258499572 573498957 /nfs/dbraw/zinc/49/89/57/573498957.db2.gz BWTKEQGRSBWJIW-ZETCQYMHSA-N 0 0 196.221 2.527 10 0 AFAERN CCCC[C@@H](C)C[C@@H](C)O 78498847 573499001 /nfs/dbraw/zinc/49/90/01/573499001.db2.gz JWXYETYLPMTEJA-RKDXNWHRSA-N 0 0 144.258 2.584 10 0 AFAERN C[C@H](O)C[C@H](C)OC1=CCCC[C@@H]1C 308609381 573499019 /nfs/dbraw/zinc/49/90/19/573499019.db2.gz XQKPWKTVXXRUID-DCAQKATOSA-N 0 0 198.306 2.866 10 0 AFAERN C[C@@]12CC(=O)[C@@H]1CC1=C2CCCC1 238417994 573499060 /nfs/dbraw/zinc/49/90/60/573499060.db2.gz PPNKPJCNSARBCX-JQWIXIFHSA-N 0 0 176.259 2.856 10 0 AFAERN C[C@H]1CCC[C@H](n2nccc2N)CC1 83428163 573499090 /nfs/dbraw/zinc/49/90/90/573499090.db2.gz ASDBRIJBTVZANK-UWVGGRQHSA-N 0 0 193.294 2.607 10 0 AFAERN CCc1ccc(/C=C(\C)CO)s1 211970394 573499549 /nfs/dbraw/zinc/49/95/49/573499549.db2.gz DJCSQJIJCXVNMM-SOFGYWHQSA-N 0 0 182.288 2.706 10 0 AFAERN Cc1cncc2cc([C@H](C)O)ccc12 258047740 573499414 /nfs/dbraw/zinc/49/94/14/573499414.db2.gz KIVAQZRGMRATRP-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN Cc1cc2c(c(O)c1C)C(=O)C[C@H]2C 238417359 573499451 /nfs/dbraw/zinc/49/94/51/573499451.db2.gz ORHJSXOXZKIBKC-SSDOTTSWSA-N 0 0 190.242 2.699 10 0 AFAERN CC(C)[C@@]1(O)CCC[C@@H](C)CC1 83434401 573499504 /nfs/dbraw/zinc/49/95/04/573499504.db2.gz UHAQRSAKLHYOHR-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCC(=O)O[C@@H]1C=CCCC1 308397841 573499506 /nfs/dbraw/zinc/49/95/06/573499506.db2.gz FJIBFLFEFALHSJ-SNVBAGLBSA-N 0 0 182.263 2.829 10 0 AFAERN CCc1ccc(C)cc1C(C)(C)CO 258047684 573499516 /nfs/dbraw/zinc/49/95/16/573499516.db2.gz KHWBWLUNJLNQQS-UHFFFAOYSA-N 0 0 192.302 2.827 10 0 AFAERN CC[C@@](O)(Cc1ccoc1)C(C)C 130259079 573499519 /nfs/dbraw/zinc/49/95/19/573499519.db2.gz KJJVHBSORRZING-LLVKDONJSA-N 0 0 182.263 2.619 10 0 AFAERN C[C@@H]1CCC[C@@]2(CC1)CC(=O)CCO2 83434799 573499602 /nfs/dbraw/zinc/49/96/02/573499602.db2.gz WVWANPZPWRJZHE-ZYHUDNBSSA-N 0 0 196.290 2.705 10 0 AFAERN CCC(CC)C(=O)OCC[C@@H](C)F 308398580 573499611 /nfs/dbraw/zinc/49/96/11/573499611.db2.gz FYLMOUQFKDSEQR-MRVPVSSYSA-N 0 0 190.258 2.714 10 0 AFAERN COCc1coc2cccc(F)c12 258047379 573499627 /nfs/dbraw/zinc/49/96/27/573499627.db2.gz BELRPGPLJNHQRI-UHFFFAOYSA-N 0 0 180.178 2.718 10 0 AFAERN Cc1cc(O)c2c(c1C)[C@H](C)CC2=O 238417389 573502029 /nfs/dbraw/zinc/50/20/29/573502029.db2.gz HXUPVTTUECYNOP-SSDOTTSWSA-N 0 0 190.242 2.699 10 0 AFAERN CC[C@@H](C)[C@](C)(O)Cc1ccoc1 130257440 573502703 /nfs/dbraw/zinc/50/27/03/573502703.db2.gz JWAGECBTSFWTBK-MWLCHTKSSA-N 0 0 182.263 2.619 10 0 AFAERN COc1ccc(F)cc1[C@H](C)C(C)=O 258499569 573502759 /nfs/dbraw/zinc/50/27/59/573502759.db2.gz BWTKEQGRSBWJIW-SSDOTTSWSA-N 0 0 196.221 2.527 10 0 AFAERN CCCC[C@H](C)C[C@@H](C)O 78498850 573501361 /nfs/dbraw/zinc/50/13/61/573501361.db2.gz JWXYETYLPMTEJA-DTWKUNHWSA-N 0 0 144.258 2.584 10 0 AFAERN CC[C@](O)(Cc1ccoc1)C(C)C 130259299 573501374 /nfs/dbraw/zinc/50/13/74/573501374.db2.gz KJJVHBSORRZING-NSHDSACASA-N 0 0 182.263 2.619 10 0 AFAERN CN(C)[C@@H](C1CCCC1)C(F)(F)F 259110327 573501391 /nfs/dbraw/zinc/50/13/91/573501391.db2.gz HWKYLPDWPMGTRR-QMMMGPOBSA-N 0 0 195.228 2.669 10 0 AFAERN CCCCCCOC(=O)[C@@H]1C[C@@H]1C 308398538 573502789 /nfs/dbraw/zinc/50/27/89/573502789.db2.gz FWMNBKPKJDFWAA-VHSXEESVSA-N 0 0 184.279 2.766 10 0 AFAERN C[C@@H]1CCC[C@@H](n2nccc2N)CC1 83428164 573501451 /nfs/dbraw/zinc/50/14/51/573501451.db2.gz ASDBRIJBTVZANK-NXEZZACHSA-N 0 0 193.294 2.607 10 0 AFAERN CC[C@H](C)[C@@](C)(O)Cc1ccco1 130258879 573501462 /nfs/dbraw/zinc/50/14/62/573501462.db2.gz DKFUICLDNWDYFY-ONGXEEELSA-N 0 0 182.263 2.619 10 0 AFAERN CNc1nc(C)c(-c2cccs2)o1 258698697 573501467 /nfs/dbraw/zinc/50/14/67/573501467.db2.gz XPQJMOKRNFGCGL-UHFFFAOYSA-N 0 0 194.259 2.753 10 0 AFAERN Cc1ccc(N(C)C#N)cc1Cl 259110608 573501519 /nfs/dbraw/zinc/50/15/19/573501519.db2.gz BGDUPLXDVREQRE-UHFFFAOYSA-N 0 0 180.638 2.566 10 0 AFAERN C[C@H](N)c1nc2cccc(Cl)c2o1 107316194 573501543 /nfs/dbraw/zinc/50/15/43/573501543.db2.gz LTIXRJLJPHNPRB-YFKPBYRVSA-N 0 0 196.637 2.501 10 0 AFAERN CNc1ncc(CCCC(C)C)o1 258706267 573501567 /nfs/dbraw/zinc/50/15/67/573501567.db2.gz HLPCKRBHASHLPX-UHFFFAOYSA-N 0 0 182.267 2.695 10 0 AFAERN CC[C@]1(O)CCC[C@H](C)CC1 83434505 573501593 /nfs/dbraw/zinc/50/15/93/573501593.db2.gz ODYFFDWSGIMFDL-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1cncc2cc([C@@H](C)O)ccc12 258047736 573501621 /nfs/dbraw/zinc/50/16/21/573501621.db2.gz KIVAQZRGMRATRP-SECBINFHSA-N 0 0 187.242 2.597 10 0 AFAERN COCCc1nc(C2CCC2)cs1 308399318 573501630 /nfs/dbraw/zinc/50/16/30/573501630.db2.gz GGYOVAMNUSDXHK-UHFFFAOYSA-N 0 0 197.303 2.600 10 0 AFAERN CC[C@@H](C)[C@](C)(O)Cc1ccco1 130258224 573501639 /nfs/dbraw/zinc/50/16/39/573501639.db2.gz DKFUICLDNWDYFY-MWLCHTKSSA-N 0 0 182.263 2.619 10 0 AFAERN CNSc1ccc2c(c1)CCCC2 259108884 573501658 /nfs/dbraw/zinc/50/16/58/573501658.db2.gz APQOBFMTXLDWOL-UHFFFAOYSA-N 0 0 193.315 2.792 10 0 AFAERN CC(C)[C@@]1(O)CCC[C@H](C)CC1 83434402 573501803 /nfs/dbraw/zinc/50/18/03/573501803.db2.gz UHAQRSAKLHYOHR-WDEREUQCSA-N 0 0 170.296 2.974 10 0 AFAERN CCCCC(=O)O[C@H]1C=CCCC1 308397840 573501818 /nfs/dbraw/zinc/50/18/18/573501818.db2.gz FJIBFLFEFALHSJ-JTQLQIEISA-N 0 0 182.263 2.829 10 0 AFAERN CC[C@H](C)[C@](C)(O)Cc1ccoc1 130257621 573501852 /nfs/dbraw/zinc/50/18/52/573501852.db2.gz JWAGECBTSFWTBK-GXSJLCMTSA-N 0 0 182.263 2.619 10 0 AFAERN CCNc1cnn(CC(C)C)c1CC 308608230 573501868 /nfs/dbraw/zinc/50/18/68/573501868.db2.gz QAOSBDUIQBUWRI-UHFFFAOYSA-N 0 0 195.310 2.533 10 0 AFAERN C[C@H]1CCC[C@@]2(CC1)CC(=O)CCO2 83434800 573501904 /nfs/dbraw/zinc/50/19/04/573501904.db2.gz WVWANPZPWRJZHE-CMPLNLGQSA-N 0 0 196.290 2.705 10 0 AFAERN C/C=C\COc1cc(F)cc(C=O)c1 308399427 573501983 /nfs/dbraw/zinc/50/19/83/573501983.db2.gz DYXIHXQDAVUFJC-IHWYPQMZSA-N 0 0 194.205 2.593 10 0 AFAERN CCSCCCC[C@H](O)CC 130266254 573502033 /nfs/dbraw/zinc/50/20/33/573502033.db2.gz RVXAVIDZEFFOAY-SECBINFHSA-N 0 0 176.325 2.681 10 0 AFAERN CC1(Br)CCSCC1 258044657 573502117 /nfs/dbraw/zinc/50/21/17/573502117.db2.gz JLFOKNXZNGPLRZ-UHFFFAOYSA-N 0 0 195.125 2.667 10 0 AFAERN CCCCCCOC(=O)[C@H]1C[C@@H]1C 308398537 573502165 /nfs/dbraw/zinc/50/21/65/573502165.db2.gz FWMNBKPKJDFWAA-UWVGGRQHSA-N 0 0 184.279 2.766 10 0 AFAERN CCSCCC[C@@H](O)C(C)(C)C 130263784 573502190 /nfs/dbraw/zinc/50/21/90/573502190.db2.gz XMFREVXEUDMCOF-SECBINFHSA-N 0 0 190.352 2.927 10 0 AFAERN CN(C)[C@@H](C(C)(C)C)C(F)(F)F 259110334 573502340 /nfs/dbraw/zinc/50/23/40/573502340.db2.gz HWNRKXXMWTXBNM-LURJTMIESA-N 0 0 183.217 2.525 10 0 AFAERN CC(=O)CCNc1c(C)cccc1C 258703220 573502379 /nfs/dbraw/zinc/50/23/79/573502379.db2.gz RMKQKKYJWSLPJS-UHFFFAOYSA-N 0 0 191.274 2.694 10 0 AFAERN Cc1cc2c(cc1C)[C@H](C)CC2=O 238417476 573502410 /nfs/dbraw/zinc/50/24/10/573502410.db2.gz CWCVMEHYBIYHHS-SECBINFHSA-N 0 0 174.243 2.993 10 0 AFAERN CC1=C[C@H](C)C[C@@H](C)C(=O)CC1 238418305 573502456 /nfs/dbraw/zinc/50/24/56/573502456.db2.gz XXGIVBYYPZBERA-VHSXEESVSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@@H](C)[C@@](C)(O)Cc1ccco1 130258678 573502464 /nfs/dbraw/zinc/50/24/64/573502464.db2.gz DKFUICLDNWDYFY-KOLCDFICSA-N 0 0 182.263 2.619 10 0 AFAERN CC(=C=C=C1CCCCC1)[C@H](C)O 238418310 573502518 /nfs/dbraw/zinc/50/25/18/573502518.db2.gz RJVMWFHRUQQGTK-NSHDSACASA-N 0 0 178.275 2.958 10 0 AFAERN CNc1nc(-c2ccccc2C)co1 258708590 573503721 /nfs/dbraw/zinc/50/37/21/573503721.db2.gz YQSUGVPSQUDYON-UHFFFAOYSA-N 0 0 188.230 2.692 10 0 AFAERN CC(=O)[C@@H](C)c1c(C)cc(C)cc1O 238419386 573503747 /nfs/dbraw/zinc/50/37/47/573503747.db2.gz XHCSFOWTXAFSBR-SECBINFHSA-N 0 0 192.258 2.702 10 0 AFAERN COc1c(C)ccc(C)c1C(C)(C)O 258050426 573503785 /nfs/dbraw/zinc/50/37/85/573503785.db2.gz KOLWZFMPCGHGSC-UHFFFAOYSA-N 0 0 194.274 2.539 10 0 AFAERN C[C@@H]1CCC[C@H](Cc2ccco2)[C@@H]1O 238419735 573503832 /nfs/dbraw/zinc/50/38/32/573503832.db2.gz RCSOEAPBQAJBGG-CKYFFXLPSA-N 0 0 194.274 2.619 10 0 AFAERN COCc1ccc(OC)c(C(C)C)c1 259110468 573503901 /nfs/dbraw/zinc/50/39/01/573503901.db2.gz BLDPWOUVLJDCQB-UHFFFAOYSA-N 0 0 194.274 2.965 10 0 AFAERN CSCCC[C@H]1CCCC[C@@H]1O 130271405 573503912 /nfs/dbraw/zinc/50/39/12/573503912.db2.gz ZLBSMIAVWPXDDR-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN C/C(=C(\C)[C@H](C)O)c1ccccc1 238419019 573504025 /nfs/dbraw/zinc/50/40/25/573504025.db2.gz QGFYAFFMRWUHKC-JUDLJHIGSA-N 0 0 176.259 2.861 10 0 AFAERN CC(C)CC(C)(C)CNC(=O)S 258710580 573504289 /nfs/dbraw/zinc/50/42/89/573504289.db2.gz OKPJMYXHMLFHGF-UHFFFAOYSA-N 0 0 189.324 2.698 10 0 AFAERN CSC(=N)COc1ccc(C)cc1 258709847 573504369 /nfs/dbraw/zinc/50/43/69/573504369.db2.gz NQWSJCJNYRPWDH-UHFFFAOYSA-N 0 0 195.287 2.714 10 0 AFAERN CCSCC[C@H]1CCCC[C@@H]1O 130268774 573504397 /nfs/dbraw/zinc/50/43/97/573504397.db2.gz UHKKOXBAMHQKJE-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN CCn1c(C=O)cc2cccc(F)c21 258048897 573504426 /nfs/dbraw/zinc/50/44/26/573504426.db2.gz FOBNWBRLLFRVSZ-UHFFFAOYSA-N 0 0 191.205 2.613 10 0 AFAERN OCCCc1ccc(CCCF)cc1 258050262 573504481 /nfs/dbraw/zinc/50/44/81/573504481.db2.gz KLVODRNLZDKTEM-UHFFFAOYSA-N 0 0 196.265 2.514 10 0 AFAERN CC(C)[C@H]1CCC[C@](C)(O)CC1 83438041 573504553 /nfs/dbraw/zinc/50/45/53/573504553.db2.gz JRAUHXZVWXYOJY-QWRGUYRKSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(C)c(C)c(C2(O)CC2)c1 258050455 573504558 /nfs/dbraw/zinc/50/45/58/573504558.db2.gz RFSOWQMJCUSENN-UHFFFAOYSA-N 0 0 176.259 2.593 10 0 AFAERN CC1(C)CCC[C@@](C)(O)CC1 83436532 573504601 /nfs/dbraw/zinc/50/46/01/573504601.db2.gz XJIJLKXSLYHDMG-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1cc(N(C)C(=O)S)ccc1F 258708479 573504765 /nfs/dbraw/zinc/50/47/65/573504765.db2.gz OEQDAUBUICHKBY-UHFFFAOYSA-N 0 0 199.250 2.620 10 0 AFAERN CC(=O)c1ncsc1CC(C)C 258718132 573505695 /nfs/dbraw/zinc/50/56/95/573505695.db2.gz ZIJFABVAUNYBAV-UHFFFAOYSA-N 0 0 183.276 2.544 10 0 AFAERN CC(C)[C@@H]1CCC[C@](C)(O)CC1 83438040 573505942 /nfs/dbraw/zinc/50/59/42/573505942.db2.gz JRAUHXZVWXYOJY-MNOVXSKESA-N 0 0 170.296 2.974 10 0 AFAERN CNc1csc(C2CCCC2)n1 258709559 573505943 /nfs/dbraw/zinc/50/59/43/573505943.db2.gz HQDSYTJVBQAXHY-UHFFFAOYSA-N 0 0 182.292 2.842 10 0 AFAERN C[C@@H]1CCc2sccc2NC(=O)C1 238419728 573505767 /nfs/dbraw/zinc/50/57/67/573505767.db2.gz IANGPFKDSRSGNA-SSDOTTSWSA-N 0 0 195.287 2.659 10 0 AFAERN Nc1ccc(-c2cccc(Cl)c2)[nH]1 258049841 573505770 /nfs/dbraw/zinc/50/57/70/573505770.db2.gz FKQOFRKKUZSUEJ-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN CC[C@H](C)C[C@@H](NC)C(F)(F)F 126324420 573505885 /nfs/dbraw/zinc/50/58/85/573505885.db2.gz YQARVUNCGKMHFO-NKWVEPMBSA-N 0 0 183.217 2.573 10 0 AFAERN C/C(=C/C[C@H](C)O)[Si](C)(C)C 238419449 573506359 /nfs/dbraw/zinc/50/63/59/573506359.db2.gz MZOOZJBVKJVEDX-FZGDARCMSA-N 0 0 172.344 2.581 10 0 AFAERN CCn1ccc2cc(F)ccc21 75234152 573507132 /nfs/dbraw/zinc/50/71/32/573507132.db2.gz WCAWTVQSWZHXTE-UHFFFAOYSA-N 0 0 163.195 2.800 10 0 AFAERN C[C@@]12CC=CC=CC1=CCCC2=O 238418837 573507753 /nfs/dbraw/zinc/50/77/53/573507753.db2.gz BVBDQSLJRUONMX-GFCCVEGCSA-N 0 0 174.243 2.798 10 0 AFAERN OC12CCC(c3ccco3)(CC1)CC2 258708532 573507349 /nfs/dbraw/zinc/50/73/49/573507349.db2.gz YPLRBGCFRBUVJH-UHFFFAOYSA-N 0 0 192.258 2.616 10 0 AFAERN C[C@H](CO)c1cnc(C(C)(C)C)s1 258404094 573507368 /nfs/dbraw/zinc/50/73/68/573507368.db2.gz CNYCCXKGJLFHNP-SSDOTTSWSA-N 0 0 199.319 2.536 10 0 AFAERN CSCCC[C@@H]1CCCC[C@@H]1O 130271175 573507433 /nfs/dbraw/zinc/50/74/33/573507433.db2.gz ZLBSMIAVWPXDDR-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN C/C(=C\C[Si](C)(C)C)[C@H](C)O 238419129 573507503 /nfs/dbraw/zinc/50/75/03/573507503.db2.gz LOXQTLLPNPYANK-ORZBULNSSA-N 0 0 172.344 2.652 10 0 AFAERN CCc1ccc2c(ccn2COC)c1 75233157 573507518 /nfs/dbraw/zinc/50/75/18/573507518.db2.gz NDXHXQHUDFSCOF-UHFFFAOYSA-N 0 0 189.258 2.808 10 0 AFAERN Cc1ccc(COC(C)C)cc1O 258049820 573507568 /nfs/dbraw/zinc/50/75/68/573507568.db2.gz FKGDQIQQPZZZSM-UHFFFAOYSA-N 0 0 180.247 2.626 10 0 AFAERN Cc1ccc(Oc2cnsc2)o1 258713550 573507627 /nfs/dbraw/zinc/50/76/27/573507627.db2.gz VBQZXLOFRLRPHG-UHFFFAOYSA-N 0 0 181.216 2.837 10 0 AFAERN CC[C@H]1CCC[C@](C)(O)CC1 83436417 573507680 /nfs/dbraw/zinc/50/76/80/573507680.db2.gz WQBRVUROOMGILT-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN Cc1cc(C(C)(C)O)c(C)cc1F 258050319 573507729 /nfs/dbraw/zinc/50/77/29/573507729.db2.gz KMZXKAVVNANSPN-UHFFFAOYSA-N 0 0 182.238 2.670 10 0 AFAERN CC[C@H](C)C[C@H](NC)C(F)(F)F 126323933 573507806 /nfs/dbraw/zinc/50/78/06/573507806.db2.gz YQARVUNCGKMHFO-BQBZGAKWSA-N 0 0 183.217 2.573 10 0 AFAERN Cc1cccc2cc(O)c(Cl)nc12 258047922 573507859 /nfs/dbraw/zinc/50/78/59/573507859.db2.gz BMAJXBGUZXNCNA-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CC(C)=CC(=C(C)C)[C@@H](C)O 238421300 573510964 /nfs/dbraw/zinc/51/09/64/573510964.db2.gz AAXIUKOEBQURQR-SECBINFHSA-N 0 0 154.253 2.670 10 0 AFAERN C[C@@H]1N[C@@H](c2ccccc2)CCS1 238421312 573509455 /nfs/dbraw/zinc/50/94/55/573509455.db2.gz WYOMAQNGHGMJKI-MWLCHTKSSA-N 0 0 193.315 2.800 10 0 AFAERN C[C@H]1CC[C@](O)(c2ccsc2)C1 83448765 573509458 /nfs/dbraw/zinc/50/94/58/573509458.db2.gz IIAZTTDTTLTPQB-WCBMZHEXSA-N 0 0 182.288 2.756 10 0 AFAERN C[C@H](O)C1=C(Cl)CCCCC1 238421356 573509571 /nfs/dbraw/zinc/50/95/71/573509571.db2.gz WSGABYUOMRZFIR-ZETCQYMHSA-N 0 0 174.671 2.824 10 0 AFAERN CCC[C@@H](O)c1csc(C)c1 83448332 573511653 /nfs/dbraw/zinc/51/16/53/573511653.db2.gz QGNMSZVDJAAEDR-SECBINFHSA-N 0 0 170.277 2.890 10 0 AFAERN C[C@@H]1CC[C@@](O)(c2ccsc2)C1 83448767 573509695 /nfs/dbraw/zinc/50/96/95/573509695.db2.gz IIAZTTDTTLTPQB-SCZZXKLOSA-N 0 0 182.288 2.756 10 0 AFAERN C[C@H]1CCC[C@]1(O)c1ccsc1 83448974 573509774 /nfs/dbraw/zinc/50/97/74/573509774.db2.gz CWOFGHBTKWHMHV-WCBMZHEXSA-N 0 0 182.288 2.756 10 0 AFAERN CCC[C@@H]1CCC[C@]2(CC1)CC(=O)N2 83438444 573509821 /nfs/dbraw/zinc/50/98/21/573509821.db2.gz RNIMFEZXNIDOIL-PWSUYJOCSA-N 0 0 195.306 2.626 10 0 AFAERN C[C@H](O)C1(C)CCCCCC1 238420413 573509895 /nfs/dbraw/zinc/50/98/95/573509895.db2.gz PGPMXNPCMZYEAG-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN COCNc1cc(Cl)ccc1C 258729786 573509898 /nfs/dbraw/zinc/50/98/98/573509898.db2.gz UZVJBUBLPLWFDV-UHFFFAOYSA-N 0 0 185.654 2.664 10 0 AFAERN CC[C@@](O)(c1ccsc1)C1CC1 83448933 573509908 /nfs/dbraw/zinc/50/99/08/573509908.db2.gz GLPRNIYEXNJFJN-JTQLQIEISA-N 0 0 182.288 2.756 10 0 AFAERN O[C@H](c1ccsc1)C1CCC1 83450759 573509919 /nfs/dbraw/zinc/50/99/19/573509919.db2.gz WQULYXIMMBTGME-VIFPVBQESA-N 0 0 168.261 2.582 10 0 AFAERN CCc1nc(Cl)c2n1CC[C@@H](C)C2 258500262 573510045 /nfs/dbraw/zinc/51/00/45/573510045.db2.gz ZTHMNOWRUSMEGD-SSDOTTSWSA-N 0 0 198.697 2.681 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ccsc1 83448164 573510059 /nfs/dbraw/zinc/51/00/59/573510059.db2.gz IEXWPEMEKRNUNT-APPZFPTMSA-N 0 0 170.277 2.828 10 0 AFAERN O[C@@H](CC(F)(F)F)c1ccsc1 83450356 573510069 /nfs/dbraw/zinc/51/00/69/573510069.db2.gz FHSXCNKRYAMCLN-LURJTMIESA-N 0 0 196.193 2.734 10 0 AFAERN Cc1cc(NC(=O)S)ccc1F 258723225 573510112 /nfs/dbraw/zinc/51/01/12/573510112.db2.gz PWULLJTXIZSXGX-UHFFFAOYSA-N 0 0 185.223 2.596 10 0 AFAERN Cc1cc(C(=O)C(F)(F)F)cs1 83450160 573510148 /nfs/dbraw/zinc/51/01/48/573510148.db2.gz ZWCGZWICNRKRGI-UHFFFAOYSA-N 0 0 194.177 2.802 10 0 AFAERN Cc1cc(C(=O)C2CC2)cs1 83450016 573510192 /nfs/dbraw/zinc/51/01/92/573510192.db2.gz GLILTUQXALPNGN-UHFFFAOYSA-N 0 0 166.245 2.649 10 0 AFAERN C[C@H](O)C1(C)CCC(C)(C)CC1 238420393 573510217 /nfs/dbraw/zinc/51/02/17/573510217.db2.gz HGJKOSAIMIBNNG-VIFPVBQESA-N 0 0 170.296 2.974 10 0 AFAERN COc1cc([C@H](C)O)c(C)c(C)c1C 238421765 573510266 /nfs/dbraw/zinc/51/02/66/573510266.db2.gz XDLNLVWPBPALCS-JTQLQIEISA-N 0 0 194.274 2.674 10 0 AFAERN C[C@@]12CCC(=O)C[C@@]13CCC[C@@H]23 238421353 573510277 /nfs/dbraw/zinc/51/02/77/573510277.db2.gz PTCFJNLPUXZOOJ-GARJFASQSA-N 0 0 164.248 2.546 10 0 AFAERN Cc1cc([C@](C)(O)C(C)C)cs1 83447495 573510283 /nfs/dbraw/zinc/51/02/83/573510283.db2.gz GLAKLQRUNAFZDG-SNVBAGLBSA-N 0 0 184.304 2.920 10 0 AFAERN CCC(CC)C(=O)O[C@@H]1C=CCC1 308396925 573510321 /nfs/dbraw/zinc/51/03/21/573510321.db2.gz DVOJGYPMMJWYQB-SNVBAGLBSA-N 0 0 182.263 2.684 10 0 AFAERN C[C@@H]1CCC[C@@]1(O)c1ccsc1 83448975 573510341 /nfs/dbraw/zinc/51/03/41/573510341.db2.gz CWOFGHBTKWHMHV-SCZZXKLOSA-N 0 0 182.288 2.756 10 0 AFAERN CC[C@H](C)C(=O)c1ccsc1 83450189 573510346 /nfs/dbraw/zinc/51/03/46/573510346.db2.gz ZNWJDOZPUFPOTL-ZETCQYMHSA-N 0 0 168.261 2.977 10 0 AFAERN Cc1cc([C@@](C)(O)C(C)C)cs1 83447496 573510371 /nfs/dbraw/zinc/51/03/71/573510371.db2.gz GLAKLQRUNAFZDG-JTQLQIEISA-N 0 0 184.304 2.920 10 0 AFAERN C=CC1=CC[C@@H]2CC(=O)CC[C@@]12C 238421461 573510441 /nfs/dbraw/zinc/51/04/41/573510441.db2.gz ZNQNNASAOPHKHW-PWSUYJOCSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1cc([C@@](C)(O)C2CC2)cs1 83447500 573510493 /nfs/dbraw/zinc/51/04/93/573510493.db2.gz ISSPNJIQWBJPBR-JTQLQIEISA-N 0 0 182.288 2.674 10 0 AFAERN C[C@@H]1CC(C)(C)[C@@H]2CCC(=O)[C@@H]12 238421401 573510558 /nfs/dbraw/zinc/51/05/58/573510558.db2.gz HFVKMQZQCXVGLN-MRTMQBJTSA-N 0 0 166.264 2.648 10 0 AFAERN CCC(CC)C(=O)O[C@H]1C=CCC1 308396923 573510570 /nfs/dbraw/zinc/51/05/70/573510570.db2.gz DVOJGYPMMJWYQB-JTQLQIEISA-N 0 0 182.263 2.684 10 0 AFAERN Cc1ccc2c(N)ccc(F)c2c1 259613469 573510613 /nfs/dbraw/zinc/51/06/13/573510613.db2.gz DTKHNRAMDRTQNC-UHFFFAOYSA-N 0 0 175.206 2.870 10 0 AFAERN O=C1CCC[C@H](C(=O)C2CCCC2)C1 86603922 573510626 /nfs/dbraw/zinc/51/06/26/573510626.db2.gz XULFZYDYUNUSDY-JTQLQIEISA-N 0 0 194.274 2.505 10 0 AFAERN CC(C)c1csc2nccn12 75268418 573510634 /nfs/dbraw/zinc/51/06/34/573510634.db2.gz USFWEDAKIOZMRN-UHFFFAOYSA-N 0 0 166.249 2.519 10 0 AFAERN CCC(O)(CC)c1ccsc1 83447494 573510639 /nfs/dbraw/zinc/51/06/39/573510639.db2.gz BORGUTKNDNDDLW-UHFFFAOYSA-N 0 0 170.277 2.756 10 0 AFAERN CC(C)[C@@](C)(O)c1ccsc1 83447498 573510692 /nfs/dbraw/zinc/51/06/92/573510692.db2.gz LWROSPCSNKXCJM-SECBINFHSA-N 0 0 170.277 2.612 10 0 AFAERN Cc1cc([C@@H](O)C(C)C)cs1 83447968 573510736 /nfs/dbraw/zinc/51/07/36/573510736.db2.gz RUWDWOSVUZHJHI-VIFPVBQESA-N 0 0 170.277 2.746 10 0 AFAERN C[C@H]1CCC[C@@]1(O)c1ccsc1 83448976 573510801 /nfs/dbraw/zinc/51/08/01/573510801.db2.gz CWOFGHBTKWHMHV-WPRPVWTQSA-N 0 0 182.288 2.756 10 0 AFAERN COc1c(CSC)ccc(C)c1O 238431442 573510841 /nfs/dbraw/zinc/51/08/41/573510841.db2.gz ZPBUZZYFDVKUCG-UHFFFAOYSA-N 0 0 198.287 2.572 10 0 AFAERN CC[C@@H](C)C(=O)c1ccsc1 83450188 573510951 /nfs/dbraw/zinc/51/09/51/573510951.db2.gz ZNWJDOZPUFPOTL-SSDOTTSWSA-N 0 0 168.261 2.977 10 0 AFAERN CSCC(=O)c1csc(C)c1 83450143 573510847 /nfs/dbraw/zinc/51/08/47/573510847.db2.gz ONGOYZLQQZSLOB-UHFFFAOYSA-N 0 0 186.301 2.602 10 0 AFAERN CSCC[C@H](O)c1ccsc1 83448433 573510878 /nfs/dbraw/zinc/51/08/78/573510878.db2.gz YLVVHDYRQXTYKL-QMMMGPOBSA-N 0 0 188.317 2.535 10 0 AFAERN O=Cc1cccc([C@H]2CC[C@H]2CF)c1 259613550 573510931 /nfs/dbraw/zinc/51/09/31/573510931.db2.gz DTQCTSSJPFVXLU-NWDGAFQWSA-N 0 0 192.233 2.962 10 0 AFAERN C[C@@H]1N[C@@H](c2ccsc2)CCS1 238421480 573511055 /nfs/dbraw/zinc/51/10/55/573511055.db2.gz VQESADRFLUUPBR-VXNVDRBHSA-N 0 0 199.344 2.862 10 0 AFAERN CC[C@@](C)(O)c1csc(C)c1 83447485 573511070 /nfs/dbraw/zinc/51/10/70/573511070.db2.gz BXWKCEYEILOPDC-SECBINFHSA-N 0 0 170.277 2.674 10 0 AFAERN Cc1cc([C@@H](O)C(F)(F)F)cs1 83450620 573511113 /nfs/dbraw/zinc/51/11/13/573511113.db2.gz SCZGJCCRJQQPAT-ZCFIWIBFSA-N 0 0 196.193 2.652 10 0 AFAERN CC(C)=CC(=O)N(C)C1CCCCC1 75244763 573511126 /nfs/dbraw/zinc/51/11/26/573511126.db2.gz HCQCLXBZYDPAMZ-UHFFFAOYSA-N 0 0 195.306 2.744 10 0 AFAERN CSCC[C@@H](O)c1ccsc1 83448435 573511150 /nfs/dbraw/zinc/51/11/50/573511150.db2.gz YLVVHDYRQXTYKL-MRVPVSSYSA-N 0 0 188.317 2.535 10 0 AFAERN O=Cc1cccc([C@@H]2CC[C@H]2CF)c1 259613561 573511170 /nfs/dbraw/zinc/51/11/70/573511170.db2.gz DTQCTSSJPFVXLU-RYUDHWBXSA-N 0 0 192.233 2.962 10 0 AFAERN CC(C)[C@](C)(O)c1ccsc1 83447497 573511197 /nfs/dbraw/zinc/51/11/97/573511197.db2.gz LWROSPCSNKXCJM-VIFPVBQESA-N 0 0 170.277 2.612 10 0 AFAERN Cc1ccc([C@@H](CCC(C)C)NN)o1 130297878 573511228 /nfs/dbraw/zinc/51/12/28/573511228.db2.gz UKARZGOGJJLLFB-SNVBAGLBSA-N 0 0 196.294 2.529 10 0 AFAERN CCC[C@H](O)c1csc(C)c1 83448330 573511294 /nfs/dbraw/zinc/51/12/94/573511294.db2.gz QGNMSZVDJAAEDR-VIFPVBQESA-N 0 0 170.277 2.890 10 0 AFAERN O=C1CCC[C@@H](Oc2ccccc2)C1 86603509 573511301 /nfs/dbraw/zinc/51/13/01/573511301.db2.gz UHQRAZUMFACXBH-GFCCVEGCSA-N 0 0 190.242 2.577 10 0 AFAERN O[C@H](CC(F)(F)F)c1ccsc1 83450353 573511399 /nfs/dbraw/zinc/51/13/99/573511399.db2.gz FHSXCNKRYAMCLN-ZCFIWIBFSA-N 0 0 196.193 2.734 10 0 AFAERN O=C1CCC[C@@H](C(=O)C2CCCC2)C1 86603921 573511418 /nfs/dbraw/zinc/51/14/18/573511418.db2.gz XULFZYDYUNUSDY-SNVBAGLBSA-N 0 0 194.274 2.505 10 0 AFAERN Cc1cc(C(=O)C(C)C)cs1 83449991 573511453 /nfs/dbraw/zinc/51/14/53/573511453.db2.gz GCZITLJTYLCJOQ-UHFFFAOYSA-N 0 0 168.261 2.895 10 0 AFAERN COC1(Nc2ccc(F)c(F)c2)CC1 224215367 573511916 /nfs/dbraw/zinc/51/19/16/573511916.db2.gz WFQSJHYPTSEFOQ-UHFFFAOYSA-N 0 0 199.200 2.513 10 0 AFAERN O=C1CCC[C@H](OCC2CCCC2)C1 86603885 573511520 /nfs/dbraw/zinc/51/15/20/573511520.db2.gz MWGNFPQZNVSNQE-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@H]1CCC[C@]1(O)c1ccsc1 83448973 573511530 /nfs/dbraw/zinc/51/15/30/573511530.db2.gz CWOFGHBTKWHMHV-PSASIEDQSA-N 0 0 182.288 2.756 10 0 AFAERN Cc1ccc([C@@H](O)c2ccsc2)o1 83447772 573511536 /nfs/dbraw/zinc/51/15/36/573511536.db2.gz DAMZLUURGXVGAA-JTQLQIEISA-N 0 0 194.255 2.731 10 0 AFAERN C[C@@H](CO)c1cnc(C(C)(C)C)s1 258404096 573511544 /nfs/dbraw/zinc/51/15/44/573511544.db2.gz CNYCCXKGJLFHNP-ZETCQYMHSA-N 0 0 199.319 2.536 10 0 AFAERN CC(C)(C)c1csc2nccn12 75268398 573511565 /nfs/dbraw/zinc/51/15/65/573511565.db2.gz LHNMEGADTXJVGB-UHFFFAOYSA-N 0 0 180.276 2.693 10 0 AFAERN Cc1ccc([C@H](CCC(C)C)NN)o1 130298084 573511602 /nfs/dbraw/zinc/51/16/02/573511602.db2.gz UKARZGOGJJLLFB-JTQLQIEISA-N 0 0 196.294 2.529 10 0 AFAERN FCCCCn1ccc(C2CC2)n1 308396315 573511604 /nfs/dbraw/zinc/51/16/04/573511604.db2.gz DSLBSUZANPVFGQ-UHFFFAOYSA-N 0 0 182.242 2.510 10 0 AFAERN O=C1CCC[C@@H](OCC2CCCC2)C1 86603884 573511614 /nfs/dbraw/zinc/51/16/14/573511614.db2.gz MWGNFPQZNVSNQE-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN Cc1cc([C@H](O)C2CCC2)cs1 83450746 573511624 /nfs/dbraw/zinc/51/16/24/573511624.db2.gz CDJRABWKTJTYOW-SNVBAGLBSA-N 0 0 182.288 2.890 10 0 AFAERN Cc1cc(-c2cnc(N)s2)cs1 83446714 573511727 /nfs/dbraw/zinc/51/17/27/573511727.db2.gz JJUCWCYXURDUHA-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN C[C@@H]1CCC[C@H]2CCC(=O)C[C@H]21 238422429 573511821 /nfs/dbraw/zinc/51/18/21/573511821.db2.gz KFMDHXXQNLHCIR-YWVKMMECSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc([C@@H](O)c2ccoc2)cs1 83448224 573512655 /nfs/dbraw/zinc/51/26/55/573512655.db2.gz KWVGIZLUOSMHNV-JTQLQIEISA-N 0 0 194.255 2.731 10 0 AFAERN C[C@@H]1CC[C@](O)(c2ccsc2)C1 83448764 573512768 /nfs/dbraw/zinc/51/27/68/573512768.db2.gz IIAZTTDTTLTPQB-PSASIEDQSA-N 0 0 182.288 2.756 10 0 AFAERN CCC[C@H]1CCC[C@]2(CC1)CC(=O)N2 83438445 573512843 /nfs/dbraw/zinc/51/28/43/573512843.db2.gz RNIMFEZXNIDOIL-JQWIXIFHSA-N 0 0 195.306 2.626 10 0 AFAERN C[C@@H]1N[C@H](c2ccccc2)CCS1 238422498 573512856 /nfs/dbraw/zinc/51/28/56/573512856.db2.gz WYOMAQNGHGMJKI-KOLCDFICSA-N 0 0 193.315 2.800 10 0 AFAERN CCCCCO[C@H]1C=CC[C@@H]1CCO 308610772 573512927 /nfs/dbraw/zinc/51/29/27/573512927.db2.gz YEUDUZYCJJMRRM-NEPJUHHUSA-N 0 0 198.306 2.520 10 0 AFAERN CC(=O)[C@@H]1C(C)=C(C)C[C@H]1C 238422309 573512969 /nfs/dbraw/zinc/51/29/69/573512969.db2.gz RZIDSFVRVXUKER-XCBNKYQSSA-N 0 0 152.237 2.568 10 0 AFAERN O[C@@H](c1ccsc1)C1CCC1 83450750 573513107 /nfs/dbraw/zinc/51/31/07/573513107.db2.gz WQULYXIMMBTGME-SECBINFHSA-N 0 0 168.261 2.582 10 0 AFAERN CCC[C@H]1CCC[C@@]2(CC1)CC(=O)N2 83438443 573513119 /nfs/dbraw/zinc/51/31/19/573513119.db2.gz RNIMFEZXNIDOIL-CMPLNLGQSA-N 0 0 195.306 2.626 10 0 AFAERN CCCCCc1cnc(NC)s1 258730670 573513468 /nfs/dbraw/zinc/51/34/68/573513468.db2.gz IXWXPBOCYOTVFX-UHFFFAOYSA-N 0 0 184.308 2.918 10 0 AFAERN CC(=O)C1(C2CCCC2)CCC1 258724305 573513729 /nfs/dbraw/zinc/51/37/29/573513729.db2.gz YDEJOJAFQVWJSI-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC(=O)[C@H]1C(C)=C(C)C[C@H]1C 238422295 573513548 /nfs/dbraw/zinc/51/35/48/573513548.db2.gz RZIDSFVRVXUKER-GMSGAONNSA-N 0 0 152.237 2.568 10 0 AFAERN CC(C)=C=C1[C@H]([C@H](C)O)C1(C)C 238422445 573513708 /nfs/dbraw/zinc/51/37/08/573513708.db2.gz VWMJAMDGLLXQET-WPRPVWTQSA-N 0 0 166.264 2.515 10 0 AFAERN c1coc(-c2csc3nccn23)c1 75268422 573513719 /nfs/dbraw/zinc/51/37/19/573513719.db2.gz WTQFFWZYDVVLOY-UHFFFAOYSA-N 0 0 190.227 2.656 10 0 AFAERN Cc1cc([C@H]2CCCC2=O)cs1 83452737 573515804 /nfs/dbraw/zinc/51/58/04/573515804.db2.gz UQNHLTNBQAYVIQ-SECBINFHSA-N 0 0 180.272 2.893 10 0 AFAERN CC(=O)C[C@@H](C)c1ccsc1 83453429 573514911 /nfs/dbraw/zinc/51/49/11/573514911.db2.gz BRNLCQSSITZYIT-SSDOTTSWSA-N 0 0 168.261 2.831 10 0 AFAERN O=C1CCCC[C@@H]1c1ccsc1 83452725 573514959 /nfs/dbraw/zinc/51/49/59/573514959.db2.gz YTFTUKIFJCPJRU-SECBINFHSA-N 0 0 180.272 2.975 10 0 AFAERN O=C1CCCC[C@H]1c1ccsc1 83452722 573515041 /nfs/dbraw/zinc/51/50/41/573515041.db2.gz YTFTUKIFJCPJRU-VIFPVBQESA-N 0 0 180.272 2.975 10 0 AFAERN C[C@H](O)[C@H]1CC(C)(C)c2ccccc21 238422852 573515051 /nfs/dbraw/zinc/51/50/51/573515051.db2.gz VSVQEIGOZDSWLZ-GXSJLCMTSA-N 0 0 190.286 2.832 10 0 AFAERN Cc1cc([C@@H]2CC[C@H](O)[C@@H]2C)cs1 83454150 573515053 /nfs/dbraw/zinc/51/50/53/573515053.db2.gz JDJUMECYWOQGNQ-IEBDPFPHSA-N 0 0 196.315 2.931 10 0 AFAERN CCC(C)(C)O[C@H]1CCCC(=O)C1 86603599 573515186 /nfs/dbraw/zinc/51/51/86/573515186.db2.gz WRONRXKWFTWMHW-JTQLQIEISA-N 0 0 184.279 2.703 10 0 AFAERN C[C@H]1C(=O)CC[C@@H]1c1ccsc1 83453465 573515212 /nfs/dbraw/zinc/51/52/12/573515212.db2.gz DCGAODRXAXSVMM-APPZFPTMSA-N 0 0 180.272 2.831 10 0 AFAERN C[C@@H](C[C@@H](C)O)c1ccsc1 83454134 573515265 /nfs/dbraw/zinc/51/52/65/573515265.db2.gz MPCBGCOLGSIGKO-JGVFFNPUSA-N 0 0 170.277 2.623 10 0 AFAERN O=C1CCC[C@H](Oc2ccccc2)C1 86603510 573515311 /nfs/dbraw/zinc/51/53/11/573515311.db2.gz UHQRAZUMFACXBH-LBPRGKRZSA-N 0 0 190.242 2.577 10 0 AFAERN O[C@H]1CCC[C@H](c2ccsc2)C1 83454082 573515345 /nfs/dbraw/zinc/51/53/45/573515345.db2.gz ZOBGCFGOWOSWCK-WPRPVWTQSA-N 0 0 182.288 2.767 10 0 AFAERN CC1=C(C)C[C@@H]([C@H](C)O)CC1 238423351 573515383 /nfs/dbraw/zinc/51/53/83/573515383.db2.gz ZDRSSORBBWIDMW-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H](CCO)O[C@H](C)C1=CCCCC1 308605132 573515384 /nfs/dbraw/zinc/51/53/84/573515384.db2.gz WFZHCYZOFSYVCV-WDEREUQCSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1cc([C@@H]2CC[C@H](O)C2)cs1 83454060 573515385 /nfs/dbraw/zinc/51/53/85/573515385.db2.gz NXNZRJDAHSGBLK-SCZZXKLOSA-N 0 0 182.288 2.685 10 0 AFAERN Cc1cc(-c2cccnc2N)cs1 83453218 573515417 /nfs/dbraw/zinc/51/54/17/573515417.db2.gz STSYNWOBYLRTGP-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC[C@H](CNc1ncccn1)C(C)C 308604652 573515473 /nfs/dbraw/zinc/51/54/73/573515473.db2.gz PFXKDYARCIGHIO-SNVBAGLBSA-N 0 0 193.294 2.571 10 0 AFAERN CC[C@]1(c2ccccc2)CCC1=O 224220844 573515560 /nfs/dbraw/zinc/51/55/60/573515560.db2.gz XHWOONSPQQLANP-GFCCVEGCSA-N 0 0 174.243 2.697 10 0 AFAERN C[C@@H](O)CC(C)(C)c1ccsc1 83454142 573515617 /nfs/dbraw/zinc/51/56/17/573515617.db2.gz FPPUXFDLSPPYHZ-MRVPVSSYSA-N 0 0 184.304 2.797 10 0 AFAERN Cc1ccnc(N)c1-c1ccsc1 83453286 573515630 /nfs/dbraw/zinc/51/56/30/573515630.db2.gz APTYSDFXFPLBRH-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C/C=C\[C@@H]1CC=CCC1 166347407 573515667 /nfs/dbraw/zinc/51/56/67/573515667.db2.gz NQZWBDMRDULFSG-MEHWWPQUSA-N 0 0 122.211 2.919 10 0 AFAERN C[C@@H](O)C1(C)CCCCCC1 238423051 573515674 /nfs/dbraw/zinc/51/56/74/573515674.db2.gz PGPMXNPCMZYEAG-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@]1(CO)C[C@H]1/C=C\c1ccccc1 308603068 573518212 /nfs/dbraw/zinc/51/82/12/573518212.db2.gz VPIXUSKVXUWMLW-OTHLQRGRSA-N 0 0 188.270 2.718 10 0 AFAERN CC[C@@H](C)Oc1cccnc1Cl 83454752 573515728 /nfs/dbraw/zinc/51/57/28/573515728.db2.gz WZQMRYIFZSAPBT-SSDOTTSWSA-N 0 0 185.654 2.912 10 0 AFAERN C[C@@H]1N[C@H](c2ccsc2)CCS1 238422643 573515746 /nfs/dbraw/zinc/51/57/46/573515746.db2.gz VQESADRFLUUPBR-APPZFPTMSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@@H]1C(=O)CC[C@@H]1c1ccsc1 83453466 573515887 /nfs/dbraw/zinc/51/58/87/573515887.db2.gz DCGAODRXAXSVMM-CBAPKCEASA-N 0 0 180.272 2.831 10 0 AFAERN CCC1(CC(=O)[C@H](O)C(C)C)CCC1 308605423 573515899 /nfs/dbraw/zinc/51/58/99/573515899.db2.gz HLZUJRXCDJGYTL-LLVKDONJSA-N 0 0 198.306 2.543 10 0 AFAERN CC(=O)CCc1csc(C)c1 83453387 573515925 /nfs/dbraw/zinc/51/59/25/573515925.db2.gz ASNAMFDLNVCMQM-UHFFFAOYSA-N 0 0 168.261 2.578 10 0 AFAERN CC1=CCCC(C)(C)[C@H]1[C@H](C)O 238422543 573515981 /nfs/dbraw/zinc/51/59/81/573515981.db2.gz GFAOXDPCLVCBMZ-VHSXEESVSA-N 0 0 168.280 2.750 10 0 AFAERN C[C@@H]([C@@H](O)Cc1ccoc1)C(C)(C)C 308605003 573515988 /nfs/dbraw/zinc/51/59/88/573515988.db2.gz WEFZZWVMGTUOAQ-ONGXEEELSA-N 0 0 196.290 2.865 10 0 AFAERN C[C@H](O)C[C@H](C)c1ccsc1 83454137 573516002 /nfs/dbraw/zinc/51/60/02/573516002.db2.gz MPCBGCOLGSIGKO-YUMQZZPRSA-N 0 0 170.277 2.623 10 0 AFAERN CC(=O)C[C@@H]1C[C@@H](C)C1(C)C 238423261 573516006 /nfs/dbraw/zinc/51/60/06/573516006.db2.gz NYJLAGUSTNNPGE-APPZFPTMSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1cnc(N)c(-c2ccsc2)c1 83453302 573516040 /nfs/dbraw/zinc/51/60/40/573516040.db2.gz BKDPAVGNAWGUSB-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@H](CCO)O[C@H](C)C1=CCCCC1 308605120 573516115 /nfs/dbraw/zinc/51/61/15/573516115.db2.gz WFZHCYZOFSYVCV-GHMZBOCLSA-N 0 0 198.306 2.663 10 0 AFAERN COc1cccc([C@H](F)CC(C)=O)c1 257823049 573516211 /nfs/dbraw/zinc/51/62/11/573516211.db2.gz GKHVNVWEJPPGFK-LLVKDONJSA-N 0 0 196.221 2.685 10 0 AFAERN CC[C@@]1(c2ccccc2)CCC1=O 224220893 573516388 /nfs/dbraw/zinc/51/63/88/573516388.db2.gz XHWOONSPQQLANP-LBPRGKRZSA-N 0 0 174.243 2.697 10 0 AFAERN C[C@@H](O)C[C@@H](C)c1ccsc1 83454136 573516450 /nfs/dbraw/zinc/51/64/50/573516450.db2.gz MPCBGCOLGSIGKO-HTQZYQBOSA-N 0 0 170.277 2.623 10 0 AFAERN CC(C)Cc1cc(=O)[nH]n1C(C)(C)C 257823140 573516451 /nfs/dbraw/zinc/51/64/51/573516451.db2.gz GNABZISEWVAJSN-UHFFFAOYSA-N 0 0 196.294 2.542 10 0 AFAERN C[C@H](O)C[C@@H](C)c1ccsc1 83454138 573516515 /nfs/dbraw/zinc/51/65/15/573516515.db2.gz MPCBGCOLGSIGKO-SFYZADRCSA-N 0 0 170.277 2.623 10 0 AFAERN O[C@H]1CCC[C@@H](c2ccsc2)C1 83454080 573516532 /nfs/dbraw/zinc/51/65/32/573516532.db2.gz ZOBGCFGOWOSWCK-SCZZXKLOSA-N 0 0 182.288 2.767 10 0 AFAERN C[C@@H]1CCC[C@H](O[C@@H]2CCC(=O)C2)C1 86619481 573516553 /nfs/dbraw/zinc/51/65/53/573516553.db2.gz CHMPGNUITHBBME-ADEWGFFLSA-N 0 0 196.290 2.703 10 0 AFAERN Cc1cc([C@@H](C)C[C@@H](C)O)cs1 83454128 573516573 /nfs/dbraw/zinc/51/65/73/573516573.db2.gz GJMKJFKUSLHLAA-JGVFFNPUSA-N 0 0 184.304 2.931 10 0 AFAERN O[C@@H]1CCC[C@H](c2ccsc2)C1 83454086 573516596 /nfs/dbraw/zinc/51/65/96/573516596.db2.gz ZOBGCFGOWOSWCK-WCBMZHEXSA-N 0 0 182.288 2.767 10 0 AFAERN COc1cccc(CCC(C)C)c1N 257823054 573516693 /nfs/dbraw/zinc/51/66/93/573516693.db2.gz GKLINFMHMFQNBD-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN O=C1CCC[C@H]1c1ccsc1 83452730 573516725 /nfs/dbraw/zinc/51/67/25/573516725.db2.gz SOSFTJSSYMBEAS-QMMMGPOBSA-N 0 0 166.245 2.585 10 0 AFAERN Cc1cc([C@@H](N)c2ccco2)cs1 83451873 573516741 /nfs/dbraw/zinc/51/67/41/573516741.db2.gz IHDDVJTWEXPZFW-SNVBAGLBSA-N 0 0 193.271 2.698 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1c1ccsc1 83454159 573516793 /nfs/dbraw/zinc/51/67/93/573516793.db2.gz NDPDZDBGJBBLHB-SFGNSQDASA-N 0 0 182.288 2.623 10 0 AFAERN C/C=C/COc1cccnc1Cl 83454801 573516807 /nfs/dbraw/zinc/51/68/07/573516807.db2.gz MNJXCTVAKFEYNB-NSCUHMNNSA-N 0 0 183.638 2.690 10 0 AFAERN Cc1cc([C@H]2CCC(=O)C2)cs1 83453386 573518257 /nfs/dbraw/zinc/51/82/57/573518257.db2.gz BOOVBHSGLPCAQV-QMMMGPOBSA-N 0 0 180.272 2.893 10 0 AFAERN C[C@@H](O)C1=C(Cl)CCCCC1 238423946 573517015 /nfs/dbraw/zinc/51/70/15/573517015.db2.gz WSGABYUOMRZFIR-SSDOTTSWSA-N 0 0 174.671 2.824 10 0 AFAERN COc1cccc([C@@H](F)CC(C)=O)c1 257823050 573517026 /nfs/dbraw/zinc/51/70/26/573517026.db2.gz GKHVNVWEJPPGFK-NSHDSACASA-N 0 0 196.221 2.685 10 0 AFAERN C[C@@H](CCO)O[C@@H](C)C1=CCCCC1 308605128 573517096 /nfs/dbraw/zinc/51/70/96/573517096.db2.gz WFZHCYZOFSYVCV-QWRGUYRKSA-N 0 0 198.306 2.663 10 0 AFAERN CC(=O)[C@@H](C)S[Si](C)(C)C 238423799 573518270 /nfs/dbraw/zinc/51/82/70/573518270.db2.gz HZBREJVZZPXQSV-SSDOTTSWSA-N 0 0 176.357 2.532 10 0 AFAERN C[C@H]([C@@H](O)Cc1ccoc1)C(C)(C)C 308604993 573518271 /nfs/dbraw/zinc/51/82/71/573518271.db2.gz WEFZZWVMGTUOAQ-KOLCDFICSA-N 0 0 196.290 2.865 10 0 AFAERN CCOCCC(=O)CC1(CC)CCC1 308602948 573517320 /nfs/dbraw/zinc/51/73/20/573517320.db2.gz FQRHWYRPCGFYCS-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN C[C@H](O)[C@H]1CCCC=C1[Si](C)(C)C 238423769 573517340 /nfs/dbraw/zinc/51/73/40/573517340.db2.gz UKKRVBLQHKYOLY-VHSXEESVSA-N 0 0 198.382 2.971 10 0 AFAERN C[C@H](O)[C@H](F)C1CCCCCC1 257824055 573517344 /nfs/dbraw/zinc/51/73/44/573517344.db2.gz GQUNRDAPNNIJFL-WPRPVWTQSA-N 0 0 174.259 2.676 10 0 AFAERN Cc1cc([C@@H](C)C[C@H](C)O)cs1 83454131 573517359 /nfs/dbraw/zinc/51/73/59/573517359.db2.gz GJMKJFKUSLHLAA-YUMQZZPRSA-N 0 0 184.304 2.931 10 0 AFAERN C[C@H](O)CC(C)(C)c1ccsc1 83454141 573517380 /nfs/dbraw/zinc/51/73/80/573517380.db2.gz FPPUXFDLSPPYHZ-QMMMGPOBSA-N 0 0 184.304 2.797 10 0 AFAERN CCOC(=O)CC1(C(C)(C)C)CC1 259613963 573517457 /nfs/dbraw/zinc/51/74/57/573517457.db2.gz FCDSOXSZWGPUDY-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1ccsc1 83454165 573517470 /nfs/dbraw/zinc/51/74/70/573517470.db2.gz NDPDZDBGJBBLHB-HGNGGELXSA-N 0 0 182.288 2.623 10 0 AFAERN CCC[C@H](C)[C@H](C)CCCO 33605476 573517471 /nfs/dbraw/zinc/51/74/71/573517471.db2.gz UQKHXPAWOMZBLN-VHSXEESVSA-N 0 0 158.285 2.831 10 0 AFAERN Cc1cc([C@H]2CC[C@H](O)C2)cs1 83454063 573517485 /nfs/dbraw/zinc/51/74/85/573517485.db2.gz NXNZRJDAHSGBLK-WPRPVWTQSA-N 0 0 182.288 2.685 10 0 AFAERN CC1=C([C@@H](C)O)C(C)(C)CC1 238423695 573517632 /nfs/dbraw/zinc/51/76/32/573517632.db2.gz XHWYVVYDOYNFCX-MRVPVSSYSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cc([C@H](N)c2ccco2)cs1 83451871 573517705 /nfs/dbraw/zinc/51/77/05/573517705.db2.gz IHDDVJTWEXPZFW-JTQLQIEISA-N 0 0 193.271 2.698 10 0 AFAERN O=C1CCC[C@@H]1c1ccsc1 83452734 573518291 /nfs/dbraw/zinc/51/82/91/573518291.db2.gz SOSFTJSSYMBEAS-MRVPVSSYSA-N 0 0 166.245 2.585 10 0 AFAERN C[C@H](O)[C@@H]1/C=C/CCCCC1 238423888 573517747 /nfs/dbraw/zinc/51/77/47/573517747.db2.gz RXBJHFYLPINYBI-IUUOVRRDSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@]12CCC=CC1=CCCC2=O 238424491 573517803 /nfs/dbraw/zinc/51/78/03/573517803.db2.gz ONMXKAMBOPPENS-LLVKDONJSA-N 0 0 162.232 2.632 10 0 AFAERN Cc1cc([C@@H]2CCCC2=O)cs1 83452736 573517782 /nfs/dbraw/zinc/51/77/82/573517782.db2.gz UQNHLTNBQAYVIQ-VIFPVBQESA-N 0 0 180.272 2.893 10 0 AFAERN CCC1(CC(=O)[C@@H](O)C(C)C)CCC1 308605424 573517890 /nfs/dbraw/zinc/51/78/90/573517890.db2.gz HLZUJRXCDJGYTL-NSHDSACASA-N 0 0 198.306 2.543 10 0 AFAERN Cc1cc([C@@H]2CC[C@@H](O)[C@@H]2C)cs1 83454154 573517932 /nfs/dbraw/zinc/51/79/32/573517932.db2.gz JDJUMECYWOQGNQ-FBIMIBRVSA-N 0 0 196.315 2.931 10 0 AFAERN CC[C@@H](CNc1ncccn1)C(C)C 308604651 573517948 /nfs/dbraw/zinc/51/79/48/573517948.db2.gz PFXKDYARCIGHIO-JTQLQIEISA-N 0 0 193.294 2.571 10 0 AFAERN Cc1cc([C@H]2CC[C@@H](O)C2)cs1 83454065 573518037 /nfs/dbraw/zinc/51/80/37/573518037.db2.gz NXNZRJDAHSGBLK-WCBMZHEXSA-N 0 0 182.288 2.685 10 0 AFAERN C[C@H](O)[C@@H](F)C1CCCCCC1 257824054 573518125 /nfs/dbraw/zinc/51/81/25/573518125.db2.gz GQUNRDAPNNIJFL-WCBMZHEXSA-N 0 0 174.259 2.676 10 0 AFAERN C[C@]1(CO)C[C@@H]1/C=C\c1ccccc1 308603070 573518163 /nfs/dbraw/zinc/51/81/63/573518163.db2.gz VPIXUSKVXUWMLW-YMVSPQSISA-N 0 0 188.270 2.718 10 0 AFAERN Cc1cc([C@H](C)C[C@H](C)O)cs1 83454132 573518339 /nfs/dbraw/zinc/51/83/39/573518339.db2.gz GJMKJFKUSLHLAA-SFYZADRCSA-N 0 0 184.304 2.931 10 0 AFAERN CCOC(=O)[C@@H]1C[C@@H](C)CCC12CC2 259613941 573518379 /nfs/dbraw/zinc/51/83/79/573518379.db2.gz FBUGSNCHIOOWFO-UWVGGRQHSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@H]([C@H](O)Cc1ccoc1)C(C)(C)C 308604998 573518464 /nfs/dbraw/zinc/51/84/64/573518464.db2.gz WEFZZWVMGTUOAQ-MWLCHTKSSA-N 0 0 196.290 2.865 10 0 AFAERN Cc1cc([C@@H]2CC[C@@H](O)C2)cs1 83454064 573518518 /nfs/dbraw/zinc/51/85/18/573518518.db2.gz NXNZRJDAHSGBLK-PSASIEDQSA-N 0 0 182.288 2.685 10 0 AFAERN C[C@@]12CCC=CC[C@@H]1C(=O)CC2 238424516 573518543 /nfs/dbraw/zinc/51/85/43/573518543.db2.gz DZAREWQQQJVIHU-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@H](C)Oc1cccnc1Cl 83454754 573518545 /nfs/dbraw/zinc/51/85/45/573518545.db2.gz WZQMRYIFZSAPBT-ZETCQYMHSA-N 0 0 185.654 2.912 10 0 AFAERN CCC[C@H](C)[C@@H](C)CCCO 33605472 573518550 /nfs/dbraw/zinc/51/85/50/573518550.db2.gz UQKHXPAWOMZBLN-UWVGGRQHSA-N 0 0 158.285 2.831 10 0 AFAERN C[C@H]1C(=O)CC[C@H]1c1ccsc1 83453460 573518552 /nfs/dbraw/zinc/51/85/52/573518552.db2.gz DCGAODRXAXSVMM-VXNVDRBHSA-N 0 0 180.272 2.831 10 0 AFAERN CCC[C@@H](C)[C@H](C)CCCO 33605474 573518596 /nfs/dbraw/zinc/51/85/96/573518596.db2.gz UQKHXPAWOMZBLN-NXEZZACHSA-N 0 0 158.285 2.831 10 0 AFAERN C[C@@]12CCC=CC[C@H]1C(=O)CC2 238424543 573518632 /nfs/dbraw/zinc/51/86/32/573518632.db2.gz DZAREWQQQJVIHU-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)=C(C)[C@H](C)[C@H]1CC=C[C@@H]1O 238424698 573519877 /nfs/dbraw/zinc/51/98/77/573519877.db2.gz VRCHJEYQURQASX-TUAOUCFPSA-N 0 0 180.291 2.916 10 0 AFAERN C[C@@H]([C@H](O)Cc1ccoc1)C(C)(C)C 308604988 573519883 /nfs/dbraw/zinc/51/98/83/573519883.db2.gz WEFZZWVMGTUOAQ-GXSJLCMTSA-N 0 0 196.290 2.865 10 0 AFAERN CC1=NC(=O)OC1c1ccc(C)cc1 257823099 573519907 /nfs/dbraw/zinc/51/99/07/573519907.db2.gz GLWQHANTJJQBFU-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN C/C=C\CNc1cccc(N(C)C)c1 308400627 573520000 /nfs/dbraw/zinc/52/00/00/573520000.db2.gz MQRICFQJNCOWHC-PLNGDYQASA-N 0 0 190.290 2.741 10 0 AFAERN CC1=C(CO)C[C@@H](C)C(C)(C)C1 238423800 573520001 /nfs/dbraw/zinc/52/00/01/573520001.db2.gz FSSYIXPEBVNEAF-SECBINFHSA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)=CC[C@@H]1C[C@@H](C)CC1=O 238423836 573520403 /nfs/dbraw/zinc/52/04/03/573520403.db2.gz VWWLVOAVCJBVOC-NXEZZACHSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1ccccc1CC(F)(F)[C@@H](C)[NH3+] 257822455 573520026 /nfs/dbraw/zinc/52/00/26/573520026.db2.gz DTAFAJGBHQYSDO-SECBINFHSA-N 0 0 199.244 2.520 10 0 AFAERN C[C@@H]1CCC[C@@H](O[C@@H]2CCC(=O)C2)C1 86619483 573520110 /nfs/dbraw/zinc/52/01/10/573520110.db2.gz CHMPGNUITHBBME-YUSALJHKSA-N 0 0 196.290 2.703 10 0 AFAERN Cc1cc2c(cc1C)N[C@@H](C)[C@H](C)N2 238423810 573520147 /nfs/dbraw/zinc/52/01/47/573520147.db2.gz KEJRUPUTECWBKE-UWVGGRQHSA-N 0 0 190.290 2.918 10 0 AFAERN C[C@@H](O)[C@@H](F)C1CCCCCC1 257824052 573520155 /nfs/dbraw/zinc/52/01/55/573520155.db2.gz GQUNRDAPNNIJFL-PSASIEDQSA-N 0 0 174.259 2.676 10 0 AFAERN C[C@@H](O)C1=CCC(C)(C)CC1 238424234 573520176 /nfs/dbraw/zinc/52/01/76/573520176.db2.gz LIWDXWRUBQEECG-MRVPVSSYSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1ccccc1CC(F)(F)[C@H](C)[NH3+] 257822456 573520246 /nfs/dbraw/zinc/52/02/46/573520246.db2.gz DTAFAJGBHQYSDO-VIFPVBQESA-N 0 0 199.244 2.520 10 0 AFAERN CC1=CC(C)(C)[C@@H]([C@H](C)O)CC1 238423407 573520273 /nfs/dbraw/zinc/52/02/73/573520273.db2.gz PAJSMOIPQZIPIY-VHSXEESVSA-N 0 0 168.280 2.750 10 0 AFAERN C/C=C\[C@H]1CC=CCC1 166347287 573520292 /nfs/dbraw/zinc/52/02/92/573520292.db2.gz NQZWBDMRDULFSG-PVARNGBLSA-N 0 0 122.211 2.919 10 0 AFAERN C[C@H](O[C@H](C)CCO)C1=CCCCC1 308605124 573520374 /nfs/dbraw/zinc/52/03/74/573520374.db2.gz WFZHCYZOFSYVCV-MNOVXSKESA-N 0 0 198.306 2.663 10 0 AFAERN C[C@@]12CCC(=O)[C@H]1CC1=C2CCC1 238423408 573520499 /nfs/dbraw/zinc/52/04/99/573520499.db2.gz BBFLZDVNRBJABB-PWSUYJOCSA-N 0 0 176.259 2.856 10 0 AFAERN CCOc1ccccc1N(C)C1CC1 238255403 573520524 /nfs/dbraw/zinc/52/05/24/573520524.db2.gz WWKHJOSDNMCZJB-UHFFFAOYSA-N 0 0 191.274 2.684 10 0 AFAERN C[C@@]12CCC=CC1=CCC(=O)C2 238424460 573520566 /nfs/dbraw/zinc/52/05/66/573520566.db2.gz SBRVKNAVGDLBPP-NSHDSACASA-N 0 0 162.232 2.632 10 0 AFAERN Cc1sc(C=O)cc1Cl 107327124 573520605 /nfs/dbraw/zinc/52/06/05/573520605.db2.gz AGBGPEIQSCSRDV-UHFFFAOYSA-N 0 0 160.625 2.522 10 0 AFAERN Cc1ccc(C)c(NC(=O)S)c1 258738080 573520683 /nfs/dbraw/zinc/52/06/83/573520683.db2.gz NCMBMBAFJLEEQU-UHFFFAOYSA-N 0 0 181.260 2.765 10 0 AFAERN CCOC(=O)[C@H]1C[C@@H](C)CCC12CC2 259613945 573520771 /nfs/dbraw/zinc/52/07/71/573520771.db2.gz FBUGSNCHIOOWFO-VHSXEESVSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1Nc2cc(N)ccc2CC1(C)C 238424144 573520791 /nfs/dbraw/zinc/52/07/91/573520791.db2.gz SHGQPYGUMDLQBA-QMMMGPOBSA-N 0 0 190.290 2.652 10 0 AFAERN CC(C)CCCO[C@@H]1CCC(=O)C1 86619475 573520848 /nfs/dbraw/zinc/52/08/48/573520848.db2.gz BMCPCNQVILFTHO-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCOC(=O)[C@@H]1C[C@H](C)CCC12CC2 259613949 573520976 /nfs/dbraw/zinc/52/09/76/573520976.db2.gz FBUGSNCHIOOWFO-ZJUUUORDSA-N 0 0 196.290 2.766 10 0 AFAERN c1ccc(Oc2cnsc2)cc1 258735727 573520977 /nfs/dbraw/zinc/52/09/77/573520977.db2.gz VYQUXOYNGHVSRR-UHFFFAOYSA-N 0 0 177.228 2.935 10 0 AFAERN CC[C@@H](C)C(=O)O[C@H](C)C(C)C 33608158 573521068 /nfs/dbraw/zinc/52/10/68/573521068.db2.gz AVTPHFBHRSGVRP-RKDXNWHRSA-N 0 0 172.268 2.620 10 0 AFAERN Cc1c(C=O)[nH]c2cc(F)c(F)cc12 257826858 573521149 /nfs/dbraw/zinc/52/11/49/573521149.db2.gz HTHVQBSDDATIER-UHFFFAOYSA-N 0 0 195.168 2.567 10 0 AFAERN C[C@@H]1CCC[C@](C)(CCO)C1 238423459 573521173 /nfs/dbraw/zinc/52/11/73/573521173.db2.gz MENFXRGZYHDFEZ-NXEZZACHSA-N 0 0 156.269 2.585 10 0 AFAERN COC1(c2ccc(C(C)=O)cc2)CC1 259485541 573521385 /nfs/dbraw/zinc/52/13/85/573521385.db2.gz PLAXSJJYCGGUSL-UHFFFAOYSA-N 0 0 190.242 2.525 10 0 AFAERN CC(=O)CC1(C2CCCCC2)COC1 258752906 573522261 /nfs/dbraw/zinc/52/22/61/573522261.db2.gz RHNDMYJDFJKTRZ-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN CC(=O)N(C)c1c(C)cc(C)cc1C 258742515 573523224 /nfs/dbraw/zinc/52/32/24/573523224.db2.gz JXGVBIBIKLZHJU-UHFFFAOYSA-N 0 0 191.274 2.595 10 0 AFAERN C[C@@H]1Nc2ccccc2[C@H]1C1CC1 238425790 573523355 /nfs/dbraw/zinc/52/33/55/573523355.db2.gz UMWNEGXBPKBZIV-QPUJVOFHSA-N 0 0 173.259 2.994 10 0 AFAERN OCCc1csc2c(F)cccc12 258057800 573523442 /nfs/dbraw/zinc/52/34/42/573523442.db2.gz GDMXCYZUUYSDRR-UHFFFAOYSA-N 0 0 196.246 2.575 10 0 AFAERN C[C@@H](O)C1CCc2ccccc2CC1 238425606 573524372 /nfs/dbraw/zinc/52/43/72/573524372.db2.gz FWSIXVZNLHTKNG-SNVBAGLBSA-N 0 0 190.286 2.562 10 0 AFAERN CC[C@@H](C)C(=O)O[C@@H](C)C(C)C 33608154 573524451 /nfs/dbraw/zinc/52/44/51/573524451.db2.gz AVTPHFBHRSGVRP-BDAKNGLRSA-N 0 0 172.268 2.620 10 0 AFAERN O[C@@H]1CC[C@]23C=C[C@@]12CCC=CCC3 308606558 573524495 /nfs/dbraw/zinc/52/44/95/573524495.db2.gz WQDPIHBRXIENOK-UPJWGTAASA-N 0 0 190.286 2.814 10 0 AFAERN CC1=CC(C)(C)[C@H](C)C[C@H]1CO 238425358 573524553 /nfs/dbraw/zinc/52/45/53/573524553.db2.gz XZULEOBEJXWYJS-ZJUUUORDSA-N 0 0 168.280 2.607 10 0 AFAERN CCC[C@H](C)[C@@H](O)Cc1ccoc1 130398942 573524798 /nfs/dbraw/zinc/52/47/98/573524798.db2.gz HWJMOKHVGLYVPP-ONGXEEELSA-N 0 0 182.263 2.619 10 0 AFAERN CCC1=NC=C[C@@H]2c3ccccc3N[C@H]12 308613693 573524586 /nfs/dbraw/zinc/52/45/86/573524586.db2.gz JQCCOYPIJNWHDP-MFKMUULPSA-N 0 0 198.269 2.943 10 0 AFAERN CCCCC[C@@H](NN)c1ccc(C)o1 130398616 573524588 /nfs/dbraw/zinc/52/45/88/573524588.db2.gz KUTKDRGBQSGBHZ-SNVBAGLBSA-N 0 0 196.294 2.673 10 0 AFAERN CCn1ccc2c(Cl)ccnc21 257827060 573524702 /nfs/dbraw/zinc/52/47/02/573524702.db2.gz HUSVTBNDXJMQTQ-UHFFFAOYSA-N 0 0 180.638 2.710 10 0 AFAERN COc1nccc(Cl)c1C(F)F 238425457 573524716 /nfs/dbraw/zinc/52/47/16/573524716.db2.gz ZCTQAPLVKVEKHQ-UHFFFAOYSA-N 0 0 193.580 2.681 10 0 AFAERN CSc1ccc(F)c(C2(O)CC2)c1 259489547 573524877 /nfs/dbraw/zinc/52/48/77/573524877.db2.gz PWLMKQWLMWTGQW-UHFFFAOYSA-N 0 0 198.262 2.529 10 0 AFAERN COCC1(CC(=O)C2CCC2)CCC1 308619609 573524897 /nfs/dbraw/zinc/52/48/97/573524897.db2.gz UNRVMEMPOWBJHJ-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN C[C@@H]1Nc2ccccc2[C@@]2(C)C[C@@H]12 238425717 573524898 /nfs/dbraw/zinc/52/48/98/573524898.db2.gz OXHNYQNRGWEHKB-PTOFAABTSA-N 0 0 173.259 2.778 10 0 AFAERN C[C@@H]1CCC[C@]12CCC(=O)C2 238424858 573524942 /nfs/dbraw/zinc/52/49/42/573524942.db2.gz VIVCLVIANNVRPN-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@H]1C=CCc2ccccc2N1 238425038 573524951 /nfs/dbraw/zinc/52/49/51/573524951.db2.gz VKCZVNSPCXSGRW-VIFPVBQESA-N 0 0 159.232 2.599 10 0 AFAERN O=C1CC[C@H](OCC2CCCCC2)C1 86619899 573524995 /nfs/dbraw/zinc/52/49/95/573524995.db2.gz LZFWEEJZUVUCGA-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN Cc1ccc(/C=C2\C[C@@H]2[C@H](C)O)cc1 238425764 573525455 /nfs/dbraw/zinc/52/54/55/573525455.db2.gz UUNADVWBVXUESQ-XZVNCSCYSA-N 0 0 188.270 2.779 10 0 AFAERN CCC[C@H](C)[C@@H](O)Cc1ccco1 130399882 573525139 /nfs/dbraw/zinc/52/51/39/573525139.db2.gz DIQYSMXMSLUIKE-ONGXEEELSA-N 0 0 182.263 2.619 10 0 AFAERN C[C@@H]1CCC[C@]12CCCC2=O 238424901 573525152 /nfs/dbraw/zinc/52/51/52/573525152.db2.gz KXNAUVMIQDMJNF-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN CCC[C@@H](C)[C@H](O)Cc1ccco1 130399180 573525182 /nfs/dbraw/zinc/52/51/82/573525182.db2.gz DIQYSMXMSLUIKE-MWLCHTKSSA-N 0 0 182.263 2.619 10 0 AFAERN C[C@@H]1CCC[C@H](c2ncc[nH]2)C1 238425321 573525263 /nfs/dbraw/zinc/52/52/63/573525263.db2.gz NQSBFDNJTHNNAO-BDAKNGLRSA-N 0 0 164.252 2.703 10 0 AFAERN Cc1ccc(NC(=O)S)cc1C 258750391 573525277 /nfs/dbraw/zinc/52/52/77/573525277.db2.gz ODZUKEBFAMUICF-UHFFFAOYSA-N 0 0 181.260 2.765 10 0 AFAERN CCCCC[C@H](C[C@@H](C)CC)NN 130396427 573525334 /nfs/dbraw/zinc/52/53/34/573525334.db2.gz DKHOOBKMTOPKSY-WDEREUQCSA-N 0 0 186.343 2.835 10 0 AFAERN C[C@@H]1CCC[C@]2(C)CCC(=O)[C@@H]12 238425104 573525339 /nfs/dbraw/zinc/52/53/39/573525339.db2.gz GPUCRFFVDHCGRW-FBIMIBRVSA-N 0 0 166.264 2.792 10 0 AFAERN CCC[C@@H](C)[C@@H](O)Cc1ccoc1 130398743 573525422 /nfs/dbraw/zinc/52/54/22/573525422.db2.gz HWJMOKHVGLYVPP-KOLCDFICSA-N 0 0 182.263 2.619 10 0 AFAERN C[C@@H]1CCCc2c(CCO)cccc21 238426142 573525567 /nfs/dbraw/zinc/52/55/67/573525567.db2.gz MQLFZQFESYYINQ-SNVBAGLBSA-N 0 0 190.286 2.661 10 0 AFAERN COc1ccc(CC(C)C)c(O)c1 33610955 573525613 /nfs/dbraw/zinc/52/56/13/573525613.db2.gz HNUDORDYOZLYMZ-UHFFFAOYSA-N 0 0 180.247 2.599 10 0 AFAERN Nc1cccc2c(C3CCC3)noc12 257829707 573525672 /nfs/dbraw/zinc/52/56/72/573525672.db2.gz IUBAOSSDWKYWNO-UHFFFAOYSA-N 0 0 188.230 2.678 10 0 AFAERN CCC1=NC=C[C@@H]2c3ccccc3N[C@@H]12 308613694 573526172 /nfs/dbraw/zinc/52/61/72/573526172.db2.gz JQCCOYPIJNWHDP-ZWNOBZJWSA-N 0 0 198.269 2.943 10 0 AFAERN CC(C)c1cccc(C2(CO)CC2)c1 257823629 573525833 /nfs/dbraw/zinc/52/58/33/573525833.db2.gz FSBDKIAIVYDMEU-UHFFFAOYSA-N 0 0 190.286 2.834 10 0 AFAERN CCC[C@@H](O)CC[C@@H](CCC)OC 238255441 573525872 /nfs/dbraw/zinc/52/58/72/573525872.db2.gz ZBTQBRBYCHCHIE-GHMZBOCLSA-N 0 0 188.311 2.743 10 0 AFAERN COc1c(N)ccc2c(C)c(C)oc12 238425720 573526191 /nfs/dbraw/zinc/52/61/91/573526191.db2.gz NZIRUVXFELCNST-UHFFFAOYSA-N 0 0 191.230 2.640 10 0 AFAERN CCC[C@@H](C)[C@H](O)Cc1ccoc1 130398332 573526222 /nfs/dbraw/zinc/52/62/22/573526222.db2.gz HWJMOKHVGLYVPP-MWLCHTKSSA-N 0 0 182.263 2.619 10 0 AFAERN O=C1CC[C@@H](C(=O)C2CCCCC2)C1 86622425 573526251 /nfs/dbraw/zinc/52/62/51/573526251.db2.gz RFVNYOVBPMEVIL-SNVBAGLBSA-N 0 0 194.274 2.505 10 0 AFAERN Oc1cccc([C@H]2CCCS2)c1 257823340 573526278 /nfs/dbraw/zinc/52/62/78/573526278.db2.gz GKFOQWCCRXVKKA-SNVBAGLBSA-N 0 0 180.272 2.960 10 0 AFAERN C[C@@H]1Nc2cccnc2[C@@H]2C=CC[C@H]12 238426057 573526406 /nfs/dbraw/zinc/52/64/06/573526406.db2.gz TUTYVRFANAAXLA-IVZWLZJFSA-N 0 0 186.258 2.555 10 0 AFAERN CC1=C[C@@]23CC[C@@H](C[C@@H]2C1)C(=O)C3 198259179 573527418 /nfs/dbraw/zinc/52/74/18/573527418.db2.gz OWLJXCMCCWWHKB-JBLDHEPKSA-N 0 0 176.259 2.712 10 0 AFAERN CSCc1c[nH]c2cccc(N)c12 258742765 573527493 /nfs/dbraw/zinc/52/74/93/573527493.db2.gz OSKCPUREAAKEMJ-UHFFFAOYSA-N 0 0 192.287 2.613 10 0 AFAERN Clc1cc(C2CC2)nnc1Cl 259491292 573527559 /nfs/dbraw/zinc/52/75/59/573527559.db2.gz PYMBRJMLRPSTOO-UHFFFAOYSA-N 0 0 189.045 2.661 10 0 AFAERN C[C@@H](CC1CC1)NC(=O)OC(C)(C)C 78571102 573527772 /nfs/dbraw/zinc/52/77/72/573527772.db2.gz XCJNVDSXRCBWRD-QMMMGPOBSA-N 0 0 199.294 2.700 10 0 AFAERN CCCCC[C@H](C[C@H](C)CC)NN 130396904 573527831 /nfs/dbraw/zinc/52/78/31/573527831.db2.gz DKHOOBKMTOPKSY-GHMZBOCLSA-N 0 0 186.343 2.835 10 0 AFAERN C[C@H](c1ccc[nH]1)c1ccccc1O 238429511 573530388 /nfs/dbraw/zinc/53/03/88/573530388.db2.gz ZTRFIYWTPYWUMS-VIFPVBQESA-N 0 0 187.242 2.872 10 0 AFAERN CC(=C=C[Si](C)(C)C)C[C@H](C)O 238426236 573527933 /nfs/dbraw/zinc/52/79/33/573527933.db2.gz MJCVWKAHCDCMPP-TYICEKJOSA-N 0 0 184.355 2.736 10 0 AFAERN C[C@H](O)c1ccc(CCCF)cc1 258059116 573527974 /nfs/dbraw/zinc/52/79/74/573527974.db2.gz LDNVZTCKAGQWNB-VIFPVBQESA-N 0 0 182.238 2.642 10 0 AFAERN C[C@H](O)CC(Cl)=C(Cl)Cl 238426399 573528052 /nfs/dbraw/zinc/52/80/52/573528052.db2.gz FKBWNHCSLXPMTK-VKHMYHEASA-N 0 0 189.469 2.643 10 0 AFAERN CC(C)c1[nH]c(=O)oc1C(F)(F)F 257827167 573528054 /nfs/dbraw/zinc/52/80/54/573528054.db2.gz HVWNVKIHNGHOTO-UHFFFAOYSA-N 0 0 195.140 2.522 10 0 AFAERN CCSCC(=O)c1ccsc1 83484577 573528161 /nfs/dbraw/zinc/52/81/61/573528161.db2.gz QEYHSGWOPDUTNI-UHFFFAOYSA-N 0 0 186.301 2.684 10 0 AFAERN CC1=NC(=O)OC1c1ccccc1C 257827571 573528433 /nfs/dbraw/zinc/52/84/33/573528433.db2.gz HXPFPIGGBXHEOL-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN O=C1CC[C@H](C(=O)C2CCCCC2)C1 86622426 573528451 /nfs/dbraw/zinc/52/84/51/573528451.db2.gz RFVNYOVBPMEVIL-JTQLQIEISA-N 0 0 194.274 2.505 10 0 AFAERN COc1c(C)c(Cl)c2ccccn12 259492898 573528480 /nfs/dbraw/zinc/52/84/80/573528480.db2.gz NJTZMEZGKLRWHO-UHFFFAOYSA-N 0 0 195.649 2.910 10 0 AFAERN CCCSC[C@H](O)CC(C)C 83486911 573528499 /nfs/dbraw/zinc/52/84/99/573528499.db2.gz QXEYUUOTPPIKEE-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CCC[C@H](C)[C@H](O)Cc1ccoc1 130398512 573528543 /nfs/dbraw/zinc/52/85/43/573528543.db2.gz HWJMOKHVGLYVPP-GXSJLCMTSA-N 0 0 182.263 2.619 10 0 AFAERN CCC[C@H](C)[C@H](O)Cc1ccco1 130399405 573528665 /nfs/dbraw/zinc/52/86/65/573528665.db2.gz DIQYSMXMSLUIKE-GXSJLCMTSA-N 0 0 182.263 2.619 10 0 AFAERN CC(=O)C[C@@H](F)c1ccccc1F 257827405 573528864 /nfs/dbraw/zinc/52/88/64/573528864.db2.gz HUURWUWKTYMUJE-SNVBAGLBSA-N 0 0 184.185 2.815 10 0 AFAERN C[C@@H](O)c1ccc(CCCF)cc1 258059114 573529244 /nfs/dbraw/zinc/52/92/44/573529244.db2.gz LDNVZTCKAGQWNB-SECBINFHSA-N 0 0 182.238 2.642 10 0 AFAERN Cc1ccc(C(C)(C)O)c2c1CCC2 258059152 573529269 /nfs/dbraw/zinc/52/92/69/573529269.db2.gz LEDRDMIGNONTJL-UHFFFAOYSA-N 0 0 190.286 2.711 10 0 AFAERN CC(=O)C[C@H](F)c1ccccc1F 257827403 573529270 /nfs/dbraw/zinc/52/92/70/573529270.db2.gz HUURWUWKTYMUJE-JTQLQIEISA-N 0 0 184.185 2.815 10 0 AFAERN C[C@@H](O)C(F)(F)C1CCCCCC1 257828021 573529277 /nfs/dbraw/zinc/52/92/77/573529277.db2.gz IDQLXDQHVDGOOR-MRVPVSSYSA-N 0 0 192.249 2.973 10 0 AFAERN CSCc1coc2cccc(N)c12 258681865 573529351 /nfs/dbraw/zinc/52/93/51/573529351.db2.gz MUPIRSHURJXBGD-UHFFFAOYSA-N 0 0 193.271 2.878 10 0 AFAERN CCSC[C@H](O)c1cccs1 83484935 573529368 /nfs/dbraw/zinc/52/93/68/573529368.db2.gz SPYWXDSXYJJMMS-ZETCQYMHSA-N 0 0 188.317 2.535 10 0 AFAERN Cc1oc(C=O)nc1C1CCCCC1 257828046 573529520 /nfs/dbraw/zinc/52/95/20/573529520.db2.gz IESDPCJDLNUXHR-UHFFFAOYSA-N 0 0 193.246 2.843 10 0 AFAERN C[C@H](O)C(F)(F)C1CCCCCC1 257828022 573529535 /nfs/dbraw/zinc/52/95/35/573529535.db2.gz IDQLXDQHVDGOOR-QMMMGPOBSA-N 0 0 192.249 2.973 10 0 AFAERN C[C@H](CO)C1=CCCCCC1 238430186 573529557 /nfs/dbraw/zinc/52/95/57/573529557.db2.gz WCCFBEYRRASYLY-SECBINFHSA-N 0 0 154.253 2.505 10 0 AFAERN CC(C)=C=CC=C=C(C)[C@H](C)CO 238429788 573529720 /nfs/dbraw/zinc/52/97/20/573529720.db2.gz DKJWGYKWAOUEEG-LESKNEHBSA-N 0 0 178.275 2.838 10 0 AFAERN CCSC[C@@H](O)c1cccs1 83484936 573529866 /nfs/dbraw/zinc/52/98/66/573529866.db2.gz SPYWXDSXYJJMMS-SSDOTTSWSA-N 0 0 188.317 2.535 10 0 AFAERN C[C@@H]1C[C@@H](O)CCC(C)(C)C1 238430296 573529933 /nfs/dbraw/zinc/52/99/33/573529933.db2.gz NKZURVBGTSUXCY-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN Clc1cccc(Oc2cn[nH]c2)c1 258756678 573529997 /nfs/dbraw/zinc/52/99/97/573529997.db2.gz WQMLZNZRTMPSKS-UHFFFAOYSA-N 0 0 194.621 2.855 10 0 AFAERN CCCCC[C@@H](O)Cc1ccoc1 130400772 573530239 /nfs/dbraw/zinc/53/02/39/573530239.db2.gz XJRTZAKGKITBFE-LLVKDONJSA-N 0 0 182.263 2.763 10 0 AFAERN CC(C)c1cccc(C=O)c1N(C)C 220503662 573530275 /nfs/dbraw/zinc/53/02/75/573530275.db2.gz GMTMTYMDTSKVHR-UHFFFAOYSA-N 0 0 191.274 2.689 10 0 AFAERN C[C@@H]1C=CC[C@@H](C)[C@@]12CCC(=O)C2 238430437 573530853 /nfs/dbraw/zinc/53/08/53/573530853.db2.gz CNERSAZYIMHIIZ-CKYFFXLPSA-N 0 0 178.275 2.958 10 0 AFAERN CC1=C(C)[C@](C)([C@H](C)O)CC1 238429934 573531253 /nfs/dbraw/zinc/53/12/53/573531253.db2.gz AGZCYVWOJJVQAT-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@@]1(c2ccco2)CCCC[NH2+]1 258059068 573531311 /nfs/dbraw/zinc/53/13/11/573531311.db2.gz DRIRFQQVNJYDFZ-NSHDSACASA-N 0 0 179.263 2.658 10 0 AFAERN Nc1ccc2noc(C3CCC3)c2c1 257828955 573531908 /nfs/dbraw/zinc/53/19/08/573531908.db2.gz IOIFTXRGVYMUOX-UHFFFAOYSA-N 0 0 188.230 2.678 10 0 AFAERN CC[C@H](C)C[C@@](C)(O)C1CC1 83503447 573531915 /nfs/dbraw/zinc/53/19/15/573531915.db2.gz IAYSXKICKWKSRJ-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN O[C@@H](C=C(F)F)/C=C\c1ccccc1 220505367 573531712 /nfs/dbraw/zinc/53/17/12/573531712.db2.gz IXKGVHFWIXEZLN-JYESYGNLSA-N 0 0 196.196 2.841 10 0 AFAERN CC(=O)[C@@]1(Cl)CC=CC[C@H]1C 238430207 573531872 /nfs/dbraw/zinc/53/18/72/573531872.db2.gz PVUWDSKGOAYBIS-VXNVDRBHSA-N 0 0 172.655 2.539 10 0 AFAERN CCCCCC[C@@](C)(O)CCOC 83503782 573534353 /nfs/dbraw/zinc/53/43/53/573534353.db2.gz OAANQIWNFXETNR-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN C[C@@H]1CC=C[C@@H]2CCCC(=O)[C@H]21 238430656 573535240 /nfs/dbraw/zinc/53/52/40/573535240.db2.gz ZEPMGITXHQVWST-KKZNHRDASA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)[C@@](C)(O)CC1CCCC1 83503383 573532752 /nfs/dbraw/zinc/53/27/52/573532752.db2.gz VTOOBISXSJBIHS-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)=C=C1C(C)(C)[C@]1(C)[C@H](C)O 238429774 573532759 /nfs/dbraw/zinc/53/27/59/573532759.db2.gz IWXGZFIGOQTTKW-JOYOIKCWSA-N 0 0 180.291 2.905 10 0 AFAERN CC(C)c1sc(=O)[nH]c1C1CC1 257828630 573532760 /nfs/dbraw/zinc/53/27/60/573532760.db2.gz IMVNPSPBQVDOCD-UHFFFAOYSA-N 0 0 183.276 2.850 10 0 AFAERN CC(C)[C@@H](O)CSC(C)(C)C 83490222 573532778 /nfs/dbraw/zinc/53/27/78/573532778.db2.gz VBUQCNAMMBTHES-QMMMGPOBSA-N 0 0 176.325 2.535 10 0 AFAERN CC[C@H](C)CNC(=O)OC(C)(C)C 83502306 573532816 /nfs/dbraw/zinc/53/28/16/573532816.db2.gz UVPPWFYZXXCKDZ-QMMMGPOBSA-N 0 0 187.283 2.557 10 0 AFAERN CC[C@@H](C)SC[C@H](O)C(C)C 83498517 573532867 /nfs/dbraw/zinc/53/28/67/573532867.db2.gz LARQYIADVCOKEA-BDAKNGLRSA-N 0 0 176.325 2.535 10 0 AFAERN CCCCCc1nc(N)sc1C 258757188 573532894 /nfs/dbraw/zinc/53/28/94/573532894.db2.gz KIWQTOHXRDXSAT-UHFFFAOYSA-N 0 0 184.308 2.766 10 0 AFAERN CC(C)[C@](C)(O)Cc1ccsc1 83503372 573535258 /nfs/dbraw/zinc/53/52/58/573535258.db2.gz DIPWSGNFEODDOR-SNVBAGLBSA-N 0 0 184.304 2.698 10 0 AFAERN C[C@@H](O)CCCC1=CCCC1 238430203 573533034 /nfs/dbraw/zinc/53/30/34/573533034.db2.gz CYMVWFVYDFNXEL-SECBINFHSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)[C@](C)(O)Cc1cccs1 83503360 573533110 /nfs/dbraw/zinc/53/31/10/573533110.db2.gz ARVNRNXLNDIUKN-SNVBAGLBSA-N 0 0 184.304 2.698 10 0 AFAERN C[C@H](O)CCCC1=CCCC1 238429509 573533188 /nfs/dbraw/zinc/53/31/88/573533188.db2.gz CYMVWFVYDFNXEL-VIFPVBQESA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H]1C[C@H]1CN(C)C(=O)OC(C)(C)C 83502343 573533201 /nfs/dbraw/zinc/53/32/01/573533201.db2.gz AWRARFQHZFPWEX-BDAKNGLRSA-N 0 0 199.294 2.509 10 0 AFAERN CC(C)(C)C(C)(F)F 80810266 573533204 /nfs/dbraw/zinc/53/32/04/573533204.db2.gz SSFMMOLTFRSBRZ-UHFFFAOYSA-N 0 0 122.158 2.688 10 0 AFAERN CC(=O)C[C@H]1C=CC=CC[C@H]1C 238429143 573533319 /nfs/dbraw/zinc/53/33/19/573533319.db2.gz GRQHBSAQQFXKKO-MWLCHTKSSA-N 0 0 164.248 2.734 10 0 AFAERN C[C@H](O)[C@]1(C)CC[C@@H](C)C1(C)C 238430140 573533326 /nfs/dbraw/zinc/53/33/26/573533326.db2.gz IXIDZZCIQHXMCI-YWVKMMECSA-N 0 0 170.296 2.830 10 0 AFAERN OC1(Cc2ccsc2)CCCCC1 83502442 573533378 /nfs/dbraw/zinc/53/33/78/573533378.db2.gz HXNYEQLILSAUNK-UHFFFAOYSA-N 0 0 196.315 2.986 10 0 AFAERN CC(C)CCC1(O)CCCC1 83502787 573533392 /nfs/dbraw/zinc/53/33/92/573533392.db2.gz NTCGDWSCRCRXQY-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@H]1CCCC[C@@]1(C)CCO 238429433 573533405 /nfs/dbraw/zinc/53/34/05/573533405.db2.gz YEQCWIIMYXLNCS-UWVGGRQHSA-N 0 0 156.269 2.585 10 0 AFAERN OC1(Cc2cccs2)CCCCC1 83502437 573535276 /nfs/dbraw/zinc/53/52/76/573535276.db2.gz WLGOFQOBIDQWSO-UHFFFAOYSA-N 0 0 196.315 2.986 10 0 AFAERN C[C@@H]1Cc2c(O)cccc2NC1(C)C 258054858 573533471 /nfs/dbraw/zinc/53/34/71/573533471.db2.gz FWRSJGMDLRKKGG-MRVPVSSYSA-N 0 0 191.274 2.775 10 0 AFAERN CC(C)(C)C[C@@H](O)Cc1ccoc1 130401653 573533522 /nfs/dbraw/zinc/53/35/22/573533522.db2.gz XLMFVIWRHMYHQQ-JTQLQIEISA-N 0 0 182.263 2.619 10 0 AFAERN C[C@@H](O)CC=C=CC1=CCCCC1 238429017 573533554 /nfs/dbraw/zinc/53/35/54/573533554.db2.gz BJZNSVREHHBOMM-MGAKOFKPSA-N 0 0 178.275 2.969 10 0 AFAERN Cc1ccc2ncc(F)c(C)c2c1 257828177 573533647 /nfs/dbraw/zinc/53/36/47/573533647.db2.gz IGGXVDVPRLBHHX-UHFFFAOYSA-N 0 0 175.206 2.991 10 0 AFAERN CC(C)(C)C[C@@H](O)Cc1ccco1 130402062 573533654 /nfs/dbraw/zinc/53/36/54/573533654.db2.gz JTVNFEWATOTCPX-VIFPVBQESA-N 0 0 182.263 2.619 10 0 AFAERN CCCCC[C@@H](O)Cc1ccco1 130401208 573533673 /nfs/dbraw/zinc/53/36/73/573533673.db2.gz OEWFTOCFLAIVDO-SNVBAGLBSA-N 0 0 182.263 2.763 10 0 AFAERN CC(C)CC[C@](C)(O)C1CC1 83503432 573533697 /nfs/dbraw/zinc/53/36/97/573533697.db2.gz VIQQANBPJALZHF-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1Cc2c(O)cccc2NC1(C)C 258054860 573533704 /nfs/dbraw/zinc/53/37/04/573533704.db2.gz FWRSJGMDLRKKGG-QMMMGPOBSA-N 0 0 191.274 2.775 10 0 AFAERN CCn1ncc(N)c1C1CCCCC1 257828893 573533737 /nfs/dbraw/zinc/53/37/37/573533737.db2.gz ILBHVKHVSBHUGP-UHFFFAOYSA-N 0 0 193.294 2.533 10 0 AFAERN C[C@H](CO)C1=Cc2ccccc2CC1 238430362 573533765 /nfs/dbraw/zinc/53/37/65/573533765.db2.gz UTABPVMUYAEVIX-SNVBAGLBSA-N 0 0 188.270 2.645 10 0 AFAERN CC(C)Cc1noc2c(O)cccc12 257828944 573533768 /nfs/dbraw/zinc/53/37/68/573533768.db2.gz INPVGFOGXFCLHP-UHFFFAOYSA-N 0 0 191.230 2.732 10 0 AFAERN C[C@@](O)(CC1CCCC1)C1CC1 83503442 573533811 /nfs/dbraw/zinc/53/38/11/573533811.db2.gz RKALNQKBEHSION-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H](C)CC1(O)CCCC1 83502796 573533906 /nfs/dbraw/zinc/53/39/06/573533906.db2.gz DMWDHSUUMPTIOO-VIFPVBQESA-N 0 0 156.269 2.728 10 0 AFAERN OCC1(c2cccc3ccccc23)CC1 257828225 573534132 /nfs/dbraw/zinc/53/41/32/573534132.db2.gz GIZUKIRYKAFTGD-UHFFFAOYSA-N 0 0 198.265 2.864 10 0 AFAERN C[C@@H]1S[C@@H](C)c2c[nH]cc21 238430335 573534136 /nfs/dbraw/zinc/53/41/36/573534136.db2.gz LUBANDMENDNDBA-WDSKDSINSA-N 0 0 153.250 2.884 10 0 AFAERN C[C@@](O)(CCc1cccs1)C1CC1 83503436 573534038 /nfs/dbraw/zinc/53/40/38/573534038.db2.gz YFQWCSJGPLHIEF-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN CC(C)n1c(Cl)cnc1C1CC1 258681480 573534080 /nfs/dbraw/zinc/53/40/80/573534080.db2.gz YNARUGFEDPCACD-UHFFFAOYSA-N 0 0 184.670 2.995 10 0 AFAERN C[C@H]1C[C@H]1CN(C)C(=O)OC(C)(C)C 83502344 573534147 /nfs/dbraw/zinc/53/41/47/573534147.db2.gz AWRARFQHZFPWEX-IUCAKERBSA-N 0 0 199.294 2.509 10 0 AFAERN C[C@@H]1CC(F)(F)[C@@]1(F)Cl 78582730 573534166 /nfs/dbraw/zinc/53/41/66/573534166.db2.gz CPOGVCWIUNLLNP-NQXXGFSBSA-N 0 0 158.550 2.566 10 0 AFAERN CC(C)[C@@](C)(O)Cc1cccs1 83503361 573534175 /nfs/dbraw/zinc/53/41/75/573534175.db2.gz ARVNRNXLNDIUKN-JTQLQIEISA-N 0 0 184.304 2.698 10 0 AFAERN CCn1nc(N)cc1C1CCCCC1 257828447 573534240 /nfs/dbraw/zinc/53/42/40/573534240.db2.gz IIELUQGKQCFISR-UHFFFAOYSA-N 0 0 193.294 2.533 10 0 AFAERN CSCc1c[nH]c2ccc(O)cc12 258054229 573535297 /nfs/dbraw/zinc/53/52/97/573535297.db2.gz ONRMLIBHNWAKGP-UHFFFAOYSA-N 0 0 193.271 2.737 10 0 AFAERN OSc1ccc(Cl)s1 259104228 573534285 /nfs/dbraw/zinc/53/42/85/573534285.db2.gz AAVPYPRRQBHEJZ-UHFFFAOYSA-N 0 0 166.654 2.967 10 0 AFAERN Cc1ccc(C)c(C2(C)COC2)c1 258758490 573534336 /nfs/dbraw/zinc/53/43/36/573534336.db2.gz RZGXIOQSOJDRSL-UHFFFAOYSA-N 0 0 176.259 2.591 10 0 AFAERN CC(C)[C@H](O)CSC(C)(C)C 83490221 573534396 /nfs/dbraw/zinc/53/43/96/573534396.db2.gz VBUQCNAMMBTHES-MRVPVSSYSA-N 0 0 176.325 2.535 10 0 AFAERN C[C@H](O)c1ccc(C2CSC2)cc1 258053531 573534433 /nfs/dbraw/zinc/53/44/33/573534433.db2.gz KRQVCAWSWRIUAQ-QMMMGPOBSA-N 0 0 194.299 2.570 10 0 AFAERN CCc1ccc(CC(C)(C)O)s1 83503246 573534580 /nfs/dbraw/zinc/53/45/80/573534580.db2.gz AACUXOQULZYPGY-UHFFFAOYSA-N 0 0 184.304 2.624 10 0 AFAERN Cc1cccc(C)c1CC[C@H](C)CO 126424243 573534675 /nfs/dbraw/zinc/53/46/75/573534675.db2.gz QCXRKCVWOYKJDG-JTQLQIEISA-N 0 0 192.302 2.864 10 0 AFAERN CC[C@@](C)(O)CC1CCCC1 83503294 573534684 /nfs/dbraw/zinc/53/46/84/573534684.db2.gz PNGFTEMWMAAUBH-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@H]1C[C@@H]1CN(C)C(=O)OC(C)(C)C 83502342 573534786 /nfs/dbraw/zinc/53/47/86/573534786.db2.gz AWRARFQHZFPWEX-DTWKUNHWSA-N 0 0 199.294 2.509 10 0 AFAERN C[C@H](CCO)Sc1ccccc1 135755690 573534811 /nfs/dbraw/zinc/53/48/11/573534811.db2.gz KLFUYDKDGMWCOQ-SECBINFHSA-N 0 0 182.288 2.550 10 0 AFAERN Cc1nc(N)oc1C1CCCCC1 257828127 573534845 /nfs/dbraw/zinc/53/48/45/573534845.db2.gz IDRUWULXPALHGG-UHFFFAOYSA-N 0 0 180.251 2.613 10 0 AFAERN CC(C)[C@](C)(O)CC1CCCC1 83503382 573534887 /nfs/dbraw/zinc/53/48/87/573534887.db2.gz VTOOBISXSJBIHS-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)=C[C@@H](C)[C@H](O)C(C)(C)C 238433914 573534921 /nfs/dbraw/zinc/53/49/21/573534921.db2.gz ICYADBFVSVVISZ-ZJUUUORDSA-N 0 0 170.296 2.996 10 0 AFAERN C[C@@H]1CC(=O)[C@H](C)C[C@@H](C)C1 238434007 573534930 /nfs/dbraw/zinc/53/49/30/573534930.db2.gz DDUGESMMUSBHTC-XHNCKOQMSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H]1CC=C[C@H]2CCCC(=O)[C@@H]12 238431208 573534941 /nfs/dbraw/zinc/53/49/41/573534941.db2.gz ZEPMGITXHQVWST-YWVKMMECSA-N 0 0 164.248 2.568 10 0 AFAERN OC1(CCc2cccs2)CCCC1 83502790 573534946 /nfs/dbraw/zinc/53/49/46/573534946.db2.gz NPMMUZCDXLXLEY-UHFFFAOYSA-N 0 0 196.315 2.986 10 0 AFAERN C[C@@H]1C[C@@H]1CN(C)C(=O)OC(C)(C)C 83502341 573534955 /nfs/dbraw/zinc/53/49/55/573534955.db2.gz AWRARFQHZFPWEX-RKDXNWHRSA-N 0 0 199.294 2.509 10 0 AFAERN C[C@@H]1CC(=O)[C@@H](C)C[C@@H](C)C1 238433999 573535325 /nfs/dbraw/zinc/53/53/25/573535325.db2.gz DDUGESMMUSBHTC-CIUDSAMLSA-N 0 0 154.253 2.648 10 0 AFAERN COC(=O)C1(CCC(C)C)CCC1 259104513 573535031 /nfs/dbraw/zinc/53/50/31/573535031.db2.gz KIEGUIWASCASLH-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN Cc1cccc(C)c1CC[C@@H](C)CO 126424035 573535074 /nfs/dbraw/zinc/53/50/74/573535074.db2.gz QCXRKCVWOYKJDG-SNVBAGLBSA-N 0 0 192.302 2.864 10 0 AFAERN CC[C@](C)(O)CC1CCCC1 83503293 573535329 /nfs/dbraw/zinc/53/53/29/573535329.db2.gz PNGFTEMWMAAUBH-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN CC[C@@H](C)CC1(O)CCCC1 83502795 573535095 /nfs/dbraw/zinc/53/50/95/573535095.db2.gz DMWDHSUUMPTIOO-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN CCC[C@H](O)CSC(C)(C)C 83490338 573535103 /nfs/dbraw/zinc/53/51/03/573535103.db2.gz JJNFUJFGNXJFSJ-QMMMGPOBSA-N 0 0 176.325 2.679 10 0 AFAERN C[C@@H](CO)c1ccc(CCCF)cc1 258056028 573535116 /nfs/dbraw/zinc/53/51/16/573535116.db2.gz KXSPXVVRIVHDTH-JTQLQIEISA-N 0 0 196.265 2.685 10 0 AFAERN C[C@@H]1CC(F)(F)[C@]1(F)Cl 78582739 573535334 /nfs/dbraw/zinc/53/53/34/573535334.db2.gz CPOGVCWIUNLLNP-WUJLRWPWSA-N 0 0 158.550 2.566 10 0 AFAERN CC(C)[C@@](C)(O)Cc1ccsc1 83503373 573535151 /nfs/dbraw/zinc/53/51/51/573535151.db2.gz DIPWSGNFEODDOR-JTQLQIEISA-N 0 0 184.304 2.698 10 0 AFAERN CCCN(C)c1ccc(C=O)c(C)c1 50569434 573538834 /nfs/dbraw/zinc/53/88/34/573538834.db2.gz KZIAOOFEEUABRP-UHFFFAOYSA-N 0 0 191.274 2.654 10 0 AFAERN C[C@H](CO)c1ccc(CCCF)cc1 258056031 573535858 /nfs/dbraw/zinc/53/58/58/573535858.db2.gz KXSPXVVRIVHDTH-SNVBAGLBSA-N 0 0 196.265 2.685 10 0 AFAERN C[C@H]1C(=O)C2(C=CC=CC=C2)[C@@H]1C 238434258 573535880 /nfs/dbraw/zinc/53/58/80/573535880.db2.gz OUOWLLFYEFAETI-NXEZZACHSA-N 0 0 174.243 2.510 10 0 AFAERN CCCCC1(O)Cc2ccccc2C1 83502862 573535976 /nfs/dbraw/zinc/53/59/76/573535976.db2.gz GBEYWNJBAJPRGZ-UHFFFAOYSA-N 0 0 190.286 2.707 10 0 AFAERN C[C@@]12CCCC[C@@]1(C)CC(=O)C2 238430758 573536008 /nfs/dbraw/zinc/53/60/08/573536008.db2.gz KJQBPOKTZCYCIR-QWRGUYRKSA-N 0 0 166.264 2.936 10 0 AFAERN CCCCCO/C=C\CCCCO 220603304 573538841 /nfs/dbraw/zinc/53/88/41/573538841.db2.gz WQOVPCFYKDGWJC-FLIBITNWSA-N 0 0 186.295 2.870 10 0 AFAERN Cc1ccc([C@H]2OCC[C@@H](C)O2)cc1 238434743 573539906 /nfs/dbraw/zinc/53/99/06/573539906.db2.gz KXVXHXFDBNNRFG-PWSUYJOCSA-N 0 0 192.258 2.819 10 0 AFAERN CC1=C(C)[C@H](C)[C@@H](C)C(=O)C1 238435456 573539934 /nfs/dbraw/zinc/53/99/34/573539934.db2.gz BRENVDJRYXJNGL-DTWKUNHWSA-N 0 0 152.237 2.568 10 0 AFAERN C[C@H]1CC[C@](O)(Cc2ccsc2)C1 83506836 573538441 /nfs/dbraw/zinc/53/84/41/573538441.db2.gz HGNXWKKDHUJRQT-GXSJLCMTSA-N 0 0 196.315 2.842 10 0 AFAERN C[C@H]1CC[C@](O)(Cc2cccs2)C1 83506816 573538457 /nfs/dbraw/zinc/53/84/57/573538457.db2.gz NGWHHBLKXFUBQI-GXSJLCMTSA-N 0 0 196.315 2.842 10 0 AFAERN CCCC[C@@]1(O)CCC[C@H]1C 83507526 573538488 /nfs/dbraw/zinc/53/84/88/573538488.db2.gz LPLUHJLTNFHDOE-NXEZZACHSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@@H]1CC[C@@](O)(Cc2ccsc2)C1 83506837 573538502 /nfs/dbraw/zinc/53/85/02/573538502.db2.gz HGNXWKKDHUJRQT-KOLCDFICSA-N 0 0 196.315 2.842 10 0 AFAERN CCCCCC[C@](O)(CC)COC 83506670 573538524 /nfs/dbraw/zinc/53/85/24/573538524.db2.gz QMTMYDPSIDPVRM-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN C[C@H]1C(=O)CC[C@]23CCCC[C@]12C3 238433892 573538558 /nfs/dbraw/zinc/53/85/58/573538558.db2.gz AQDFNQMRCFKASC-DLOVCJGASA-N 0 0 178.275 2.936 10 0 AFAERN C[C@H](O)[C@]12CCCCCC[C@H]1C2 238430734 573538586 /nfs/dbraw/zinc/53/85/86/573538586.db2.gz OULPPKYMAMFQMQ-GARJFASQSA-N 0 0 168.280 2.728 10 0 AFAERN CC(=O)[C@@H](C)[C@H](C)C=C(C)C 238433861 573538643 /nfs/dbraw/zinc/53/86/43/573538643.db2.gz FPJPMBQGIDDOCQ-BDAKNGLRSA-N 0 0 154.253 2.814 10 0 AFAERN CCCC/C=C/[C@@H](C)[C@@H](C)CO 220582931 573538742 /nfs/dbraw/zinc/53/87/42/573538742.db2.gz CWZJOUPWSOZSKM-SFEFJYQLSA-N 0 0 170.296 2.997 10 0 AFAERN O=C1CCCC[C@@H]1CC[C@H]1CCCO1 83527644 573540084 /nfs/dbraw/zinc/54/00/84/573540084.db2.gz OJSJLXHSPQVTCB-GHMZBOCLSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@H]1C[C@@H](O)Nc2cc(Cl)ccc21 238431040 573538796 /nfs/dbraw/zinc/53/87/96/573538796.db2.gz XBFBEUUIVBAWJX-LHLIQPBNSA-N 0 0 197.665 2.578 10 0 AFAERN CO/C=C\[C@H](C)[C@H](O)c1ccccc1 308618081 573539005 /nfs/dbraw/zinc/53/90/05/573539005.db2.gz BTLAIKMUYKMIGY-JDQIMWGRSA-N 0 0 192.258 2.516 10 0 AFAERN CSCCC[C@@H](O)CC(C)C 130311682 573538985 /nfs/dbraw/zinc/53/89/85/573538985.db2.gz HOVQQMORVHUJQE-SECBINFHSA-N 0 0 176.325 2.537 10 0 AFAERN CSCCC[C@H](O)CC(C)C 130311888 573539027 /nfs/dbraw/zinc/53/90/27/573539027.db2.gz HOVQQMORVHUJQE-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN Fc1cc(Cl)c(F)c2c1NCC2 107350546 573539107 /nfs/dbraw/zinc/53/91/07/573539107.db2.gz ODTAWMZTGILOKK-UHFFFAOYSA-N 0 0 189.592 2.586 10 0 AFAERN C[C@@H](F)Cc1cccc(C2(O)CC2)c1 258056182 573539122 /nfs/dbraw/zinc/53/91/22/573539122.db2.gz LAKDTGKGJUFGPF-SECBINFHSA-N 0 0 194.249 2.569 10 0 AFAERN CCSCCCC[C@H](O)C1CC1 130307056 573539191 /nfs/dbraw/zinc/53/91/91/573539191.db2.gz UCRFCWZOOZMBBZ-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CCSCC[C@@H](C)[C@H](O)CC 130308469 573539297 /nfs/dbraw/zinc/53/92/97/573539297.db2.gz CGADEIGEQMFAFC-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN CC(C)c1oncc1Br 107350695 573539331 /nfs/dbraw/zinc/53/93/31/573539331.db2.gz IVTHWLDMNUDIFY-UHFFFAOYSA-N 0 0 190.040 2.561 10 0 AFAERN CSCCC[C@@H](C(C)C)[C@@H](C)O 130305556 573539335 /nfs/dbraw/zinc/53/93/35/573539335.db2.gz DDQMPQIYRVGKIX-ZJUUUORDSA-N 0 0 190.352 2.783 10 0 AFAERN CCSCC[C@H](C)[C@H](O)CC 130308087 573539362 /nfs/dbraw/zinc/53/93/62/573539362.db2.gz CGADEIGEQMFAFC-DTWKUNHWSA-N 0 0 176.325 2.537 10 0 AFAERN CCSCCC[C@H](O)CC(C)C 130311244 573539414 /nfs/dbraw/zinc/53/94/14/573539414.db2.gz IANMPMXFGPYNKL-JTQLQIEISA-N 0 0 190.352 2.927 10 0 AFAERN C[C@@H]1CCOc2ccccc2NC1 238434789 573539435 /nfs/dbraw/zinc/53/94/35/573539435.db2.gz MVIUOEABSPHROZ-SECBINFHSA-N 0 0 177.247 2.517 10 0 AFAERN O=C1CCC[C@@H](CC[C@@H]2CCCO2)C1 83531546 573539477 /nfs/dbraw/zinc/53/94/77/573539477.db2.gz HPDGDRBEUKXQIC-JQWIXIFHSA-N 0 0 196.290 2.705 10 0 AFAERN CC(=O)[C@H](C)CC[C@@H]1CCCC[C@H]1O 308618175 573539539 /nfs/dbraw/zinc/53/95/39/573539539.db2.gz CDESJDSUJSDZSP-ADEWGFFLSA-N 0 0 198.306 2.543 10 0 AFAERN OC1(CC[C@H]2CCCO2)CCCCC1 83528294 573539547 /nfs/dbraw/zinc/53/95/47/573539547.db2.gz LVZVISAMFYCJMR-LLVKDONJSA-N 0 0 198.306 2.641 10 0 AFAERN C[C@@H]1CCSc2ccccc2[C@@H]1O 238434847 573539561 /nfs/dbraw/zinc/53/95/61/573539561.db2.gz AXRHIOWIOQQASQ-LDYMZIIASA-N 0 0 194.299 2.852 10 0 AFAERN CCC(C)(C)[C@@H](CCC(C)C)NN 130322173 573539597 /nfs/dbraw/zinc/53/95/97/573539597.db2.gz LDRMJJDKJMSCDG-SNVBAGLBSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1oc(C(C)(C)C)cc1[C@H](C)O 238435504 573539769 /nfs/dbraw/zinc/53/97/69/573539769.db2.gz HEPWUWLNVIGOKD-ZETCQYMHSA-N 0 0 182.263 2.939 10 0 AFAERN CC[C@@H](CO)Cc1c(C)cccc1C 126456333 573539870 /nfs/dbraw/zinc/53/98/70/573539870.db2.gz XUHOSMNGSSXJJR-GFCCVEGCSA-N 0 0 192.302 2.864 10 0 AFAERN CC(=O)C[C@H](F)c1ccc(C)cc1 257829028 573540217 /nfs/dbraw/zinc/54/02/17/573540217.db2.gz IPXFNJBBDDZSSQ-NSHDSACASA-N 0 0 180.222 2.985 10 0 AFAERN CCCCC[C@H](NN)C(C)(C)CC 130427025 573540221 /nfs/dbraw/zinc/54/02/21/573540221.db2.gz DSTBIEKDPSJAPR-JTQLQIEISA-N 0 0 186.343 2.835 10 0 AFAERN CCc1ccc(C(C)C)c(CCO)c1 258056193 573540345 /nfs/dbraw/zinc/54/03/45/573540345.db2.gz LAKLUUBHJMWBIE-UHFFFAOYSA-N 0 0 192.302 2.907 10 0 AFAERN Cc1ccc(/C=C2\C[C@H]2[C@@H](C)O)cc1 238435267 573540473 /nfs/dbraw/zinc/54/04/73/573540473.db2.gz UUNADVWBVXUESQ-PIQUJSHOSA-N 0 0 188.270 2.779 10 0 AFAERN CC(=O)C[C@@H](F)c1ccc(C)cc1 257829027 573540487 /nfs/dbraw/zinc/54/04/87/573540487.db2.gz IPXFNJBBDDZSSQ-LLVKDONJSA-N 0 0 180.222 2.985 10 0 AFAERN CCSCC[C@@H](C)[C@@H](O)CC 130308254 573540624 /nfs/dbraw/zinc/54/06/24/573540624.db2.gz CGADEIGEQMFAFC-BDAKNGLRSA-N 0 0 176.325 2.537 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H]2CC=CC[C@@]12C 238434993 573540654 /nfs/dbraw/zinc/54/06/54/573540654.db2.gz KOSHAXSAUDRXSH-SCVCMEIPSA-N 0 0 178.275 2.958 10 0 AFAERN C=C/C(Cc1ccccc1)=C(/C)CO 308617261 573540709 /nfs/dbraw/zinc/54/07/09/573540709.db2.gz BEQCWDDUWWUOBM-ACCUITESSA-N 0 0 188.270 2.724 10 0 AFAERN O=C1CCC[C@@H](CC[C@H]2CCCO2)C1 83531548 573540812 /nfs/dbraw/zinc/54/08/12/573540812.db2.gz HPDGDRBEUKXQIC-CMPLNLGQSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H]2CCCC[C@@H]12 238435029 573540827 /nfs/dbraw/zinc/54/08/27/573540827.db2.gz XPNZWGQPLJXOIW-KXUCPTDWSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)c1noc2cc(C=O)ccc12 257829238 573540926 /nfs/dbraw/zinc/54/09/26/573540926.db2.gz IQXUDUGASKFBNW-UHFFFAOYSA-N 0 0 189.214 2.764 10 0 AFAERN Cc1scnc1-c1cccc(O)c1 257829662 573540937 /nfs/dbraw/zinc/54/09/37/573540937.db2.gz ISJAYYAZFDDAON-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN C[C@H]1C(=O)[C@H](c2ccccc2)[C@@H]1C 238435213 573540968 /nfs/dbraw/zinc/54/09/68/573540968.db2.gz TWOPGYGAISROLF-KKZNHRDASA-N 0 0 174.243 2.625 10 0 AFAERN Cc1cccc(/C=C2\C[C@H]2[C@@H](C)O)c1 238435285 573541001 /nfs/dbraw/zinc/54/10/01/573541001.db2.gz XXBBQGTWEIVQFW-PIQUJSHOSA-N 0 0 188.270 2.779 10 0 AFAERN C=C/C=C\C[C@@H](O)Cc1ccccc1 308616980 573541428 /nfs/dbraw/zinc/54/14/28/573541428.db2.gz AQXOLUDFJKBGNW-HSBHDXMMSA-N 0 0 188.270 2.722 10 0 AFAERN CCC(C)(C)[C@H](CCC(C)C)NN 130322410 573541083 /nfs/dbraw/zinc/54/10/83/573541083.db2.gz LDRMJJDKJMSCDG-JTQLQIEISA-N 0 0 186.343 2.691 10 0 AFAERN CO/C(=C/Cl)c1cccc(OC)c1 238435170 573541092 /nfs/dbraw/zinc/54/10/92/573541092.db2.gz RZBLTKGIUDFDMH-JXMROGBWSA-N 0 0 198.649 2.879 10 0 AFAERN C[C@H]1C(=O)[C@@H](c2ccccc2)[C@@H]1C 238435288 573541151 /nfs/dbraw/zinc/54/11/51/573541151.db2.gz TWOPGYGAISROLF-FXPVBKGRSA-N 0 0 174.243 2.625 10 0 AFAERN CCc1cccc(CC)c1C1(O)CC1 258056421 573541159 /nfs/dbraw/zinc/54/11/59/573541159.db2.gz LCJSAONPSLXBGO-UHFFFAOYSA-N 0 0 190.286 2.793 10 0 AFAERN CSC(=S)C1CCCC1 39111742 573541206 /nfs/dbraw/zinc/54/12/06/573541206.db2.gz SZBSDHABBJYRMJ-UHFFFAOYSA-N 0 0 160.307 2.867 10 0 AFAERN CC(=O)[C@H](C)CC[C@H]1CCCC[C@H]1O 308618177 573541306 /nfs/dbraw/zinc/54/13/06/573541306.db2.gz CDESJDSUJSDZSP-YUSALJHKSA-N 0 0 198.306 2.543 10 0 AFAERN CC[C@H](O)[C@@H](C)CCCSC 130310439 573541344 /nfs/dbraw/zinc/54/13/44/573541344.db2.gz BXRMGQQTNTUGDF-IUCAKERBSA-N 0 0 176.325 2.537 10 0 AFAERN C[C@H](O)CC[C@H]1C=CCCC1 238434792 573541452 /nfs/dbraw/zinc/54/14/52/573541452.db2.gz JBCPGTFTOFHURE-UWVGGRQHSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@@H](O)[C@H](C)CCCSC 130311054 573541834 /nfs/dbraw/zinc/54/18/34/573541834.db2.gz BXRMGQQTNTUGDF-RKDXNWHRSA-N 0 0 176.325 2.537 10 0 AFAERN CO/C(=C/Cl)c1ccccc1OC 238435183 573541851 /nfs/dbraw/zinc/54/18/51/573541851.db2.gz LRRJJERZPGUYBL-JXMROGBWSA-N 0 0 198.649 2.879 10 0 AFAERN C[C@@H]1CCSc2ccccc2[C@H]1O 238434857 573543261 /nfs/dbraw/zinc/54/32/61/573543261.db2.gz AXRHIOWIOQQASQ-KCJUWKMLSA-N 0 0 194.299 2.852 10 0 AFAERN Cc1nc(CC(=O)C(C)C)sc1C 83533293 573542841 /nfs/dbraw/zinc/54/28/41/573542841.db2.gz MKRQBRXEASSGIE-UHFFFAOYSA-N 0 0 197.303 2.528 10 0 AFAERN CCCc1cccc(C(C)(C)CO)c1 257825486 573542846 /nfs/dbraw/zinc/54/28/46/573542846.db2.gz GPAARNBRQYBCQN-UHFFFAOYSA-N 0 0 192.302 2.909 10 0 AFAERN Fc1cc2c(c(F)c1Cl)CCN2 107350550 573542884 /nfs/dbraw/zinc/54/28/84/573542884.db2.gz XGKDFTJZNPWERV-UHFFFAOYSA-N 0 0 189.592 2.586 10 0 AFAERN OC[C@H]1CC[C@@H]1c1ccc(Cl)cc1 257825358 573542913 /nfs/dbraw/zinc/54/29/13/573542913.db2.gz HEQFIPLPJJMRDG-MWLCHTKSSA-N 0 0 196.677 2.826 10 0 AFAERN Cc1cccc([C@@H]2OCC[C@@H](C)O2)c1 238434686 573542920 /nfs/dbraw/zinc/54/29/20/573542920.db2.gz YSACWSLOSXXYNS-ZYHUDNBSSA-N 0 0 192.258 2.819 10 0 AFAERN C=C=C(C)[C@@H](O)[C@H](C)c1ccccc1 238434465 573543023 /nfs/dbraw/zinc/54/30/23/573543023.db2.gz APKYZPBYIBIIER-DGCLKSJQSA-N 0 0 188.270 2.882 10 0 AFAERN CC1(c2cccc(Cl)c2)COC1 258767722 573543051 /nfs/dbraw/zinc/54/30/51/573543051.db2.gz SSXLBOLGOJZZAL-UHFFFAOYSA-N 0 0 182.650 2.628 10 0 AFAERN Cc1ccc([C@@H]2OCC[C@@H](C)O2)cc1 238434661 573543110 /nfs/dbraw/zinc/54/31/10/573543110.db2.gz KXVXHXFDBNNRFG-ZYHUDNBSSA-N 0 0 192.258 2.819 10 0 AFAERN CNc1cccc(NC(C)(C)C)c1 259105113 573543197 /nfs/dbraw/zinc/54/31/97/573543197.db2.gz AVOXOYOFYWXLGS-UHFFFAOYSA-N 0 0 178.279 2.939 10 0 AFAERN CCSCCCC[C@@H](O)C1CC1 130307267 573543277 /nfs/dbraw/zinc/54/32/77/573543277.db2.gz UCRFCWZOOZMBBZ-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN CCOC(=O)CC1=CC[C@H](C)C1(C)C 39112570 573543397 /nfs/dbraw/zinc/54/33/97/573543397.db2.gz IALZHXSAHFSUIU-VIFPVBQESA-N 0 0 196.290 2.932 10 0 AFAERN O=C1CCCC[C@H]1CC[C@H]1CCCO1 83527643 573543441 /nfs/dbraw/zinc/54/34/41/573543441.db2.gz OJSJLXHSPQVTCB-WDEREUQCSA-N 0 0 196.290 2.705 10 0 AFAERN CSCCC[C@H](C(C)C)[C@@H](C)O 130305400 573543545 /nfs/dbraw/zinc/54/35/45/573543545.db2.gz DDQMPQIYRVGKIX-NXEZZACHSA-N 0 0 190.352 2.783 10 0 AFAERN C[C@H](O)CC[C@@H]1C=CCCC1 238435424 573543620 /nfs/dbraw/zinc/54/36/20/573543620.db2.gz JBCPGTFTOFHURE-VHSXEESVSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H](CO)[Si](C)(C)C(C)(C)C 238438199 573551950 /nfs/dbraw/zinc/55/19/50/573551950.db2.gz OSCLORSYJTVCGX-MRVPVSSYSA-N 0 0 174.360 2.877 10 0 AFAERN CSCCC[C@H](O)C1CCCC1 130316793 573543687 /nfs/dbraw/zinc/54/36/87/573543687.db2.gz YFTURHZMWHGOPS-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@H](CO)Cc1c(C)cccc1C 126456127 573543708 /nfs/dbraw/zinc/54/37/08/573543708.db2.gz XUHOSMNGSSXJJR-LBPRGKRZSA-N 0 0 192.302 2.864 10 0 AFAERN Cc1nc(-c2ccccc2N)c(C)o1 107349038 573544196 /nfs/dbraw/zinc/54/41/96/573544196.db2.gz ASTLNYHYFVSWLZ-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCC1(C[C@@H](NN)C2(C)CC2)CCC1 308611035 573543841 /nfs/dbraw/zinc/54/38/41/573543841.db2.gz MEXNXBNWBNVSHC-SNVBAGLBSA-N 0 0 196.338 2.589 10 0 AFAERN C[C@@H]1C(=O)CC[C@H]1CC[C@@H]1CCCO1 83531604 573543878 /nfs/dbraw/zinc/54/38/78/573543878.db2.gz FYTVXQUQKGPPOZ-AXFHLTTASA-N 0 0 196.290 2.561 10 0 AFAERN CSCCCC[C@H](O)CC(C)C 130312757 573543906 /nfs/dbraw/zinc/54/39/06/573543906.db2.gz VZYMNLJIIZDUGG-JTQLQIEISA-N 0 0 190.352 2.927 10 0 AFAERN Cc1nc(N)sc1CC1CCCC1 258767067 573543920 /nfs/dbraw/zinc/54/39/20/573543920.db2.gz KXXLOULUQRRCBV-UHFFFAOYSA-N 0 0 196.319 2.766 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H]2CC=CC[C@@H]12 238434966 573543928 /nfs/dbraw/zinc/54/39/28/573543928.db2.gz OSGBPLZZJFNLNQ-KXUCPTDWSA-N 0 0 164.248 2.568 10 0 AFAERN C[C@@H]1CCC(=O)[C@@H]2CCC=C1C2 238435016 573543943 /nfs/dbraw/zinc/54/39/43/573543943.db2.gz SEXXEDAZDPBDSI-PSASIEDQSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1ccccc1[C@H](C)[C@H](C)CO 238435511 573544001 /nfs/dbraw/zinc/54/40/01/573544001.db2.gz YOASLMZFOGZERG-GHMZBOCLSA-N 0 0 178.275 2.727 10 0 AFAERN O=C1CCCC[C@H]1CC[C@@H]1CCCO1 83527641 573544020 /nfs/dbraw/zinc/54/40/20/573544020.db2.gz OJSJLXHSPQVTCB-QWRGUYRKSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@H]1CCC(=O)[C@@]2(C)C=CCC=C12 238435221 573544165 /nfs/dbraw/zinc/54/41/65/573544165.db2.gz IAGUDBJXZDLGQB-SKDRFNHKSA-N 0 0 176.259 2.878 10 0 AFAERN [NH3+]C1([C@H](F)c2cccc(F)c2)CCC1 257825308 573545488 /nfs/dbraw/zinc/54/54/88/573545488.db2.gz HDVDXCJBCAZKDN-SNVBAGLBSA-N 0 0 197.228 2.718 10 0 AFAERN CC1=CC[C@@H]2C(=O)CC[C@@H](C)[C@@H]2C1 238435692 573545508 /nfs/dbraw/zinc/54/55/08/573545508.db2.gz LSNAFCUXOTXROM-VWYCJHECSA-N 0 0 178.275 2.958 10 0 AFAERN CCc1cc(O)c(C(C)=O)cc1Cl 107367074 573544999 /nfs/dbraw/zinc/54/49/99/573544999.db2.gz APMHEFPHPVRCOM-UHFFFAOYSA-N 0 0 198.649 2.811 10 0 AFAERN Cc1cc(C(=O)OC(C)(C)C)[nH]c1C 224284085 573545036 /nfs/dbraw/zinc/54/50/36/573545036.db2.gz SWGPCAIXLCLVJI-UHFFFAOYSA-N 0 0 195.262 2.587 10 0 AFAERN Fc1cccc2c1OC1(CCC1)CN2 258406238 573545233 /nfs/dbraw/zinc/54/52/33/573545233.db2.gz CQDRXHJQCUYGTI-UHFFFAOYSA-N 0 0 193.221 2.553 10 0 AFAERN Cc1ccc(C)n1C1CCC(=O)CC1 86662580 573545307 /nfs/dbraw/zinc/54/53/07/573545307.db2.gz IWZJNVUWSLSSLT-UHFFFAOYSA-N 0 0 191.274 2.789 10 0 AFAERN Cc1cc(F)ccc1C1=C[C@H](O)CC1 83549190 573545665 /nfs/dbraw/zinc/54/56/65/573545665.db2.gz GJYVVVMRFFFHJE-LLVKDONJSA-N 0 0 192.233 2.672 10 0 AFAERN Cc1cccc2c1N[C@H](C)CCC2=O 257825259 573545677 /nfs/dbraw/zinc/54/56/77/573545677.db2.gz HCNHJOGFKQKUDN-SECBINFHSA-N 0 0 189.258 2.772 10 0 AFAERN OC[C@@H]1CC[C@H]1c1ccc(Cl)cc1 257825361 573545729 /nfs/dbraw/zinc/54/57/29/573545729.db2.gz HEQFIPLPJJMRDG-ONGXEEELSA-N 0 0 196.677 2.826 10 0 AFAERN O[C@H]1C=C(c2c(F)cccc2F)CC1 83548932 573545786 /nfs/dbraw/zinc/54/57/86/573545786.db2.gz YZZNCGVUFMQIIL-MRVPVSSYSA-N 0 0 196.196 2.503 10 0 AFAERN CCC(CC)[C@@H](O)Cc1ccco1 130338730 573545823 /nfs/dbraw/zinc/54/58/23/573545823.db2.gz VDXIQASWVPOYMZ-NSHDSACASA-N 0 0 182.263 2.619 10 0 AFAERN Cc1cccc(C2=C[C@H](O)CC2)c1 83548668 573549098 /nfs/dbraw/zinc/54/90/98/573549098.db2.gz LMQPOSBWRGOHML-GFCCVEGCSA-N 0 0 174.243 2.533 10 0 AFAERN Cc1ccc(C)c(C2=C[C@H](O)CC2)c1 83549174 573546890 /nfs/dbraw/zinc/54/68/90/573546890.db2.gz GMSLUDQINIFMHI-GFCCVEGCSA-N 0 0 188.270 2.842 10 0 AFAERN CC[C@H](C)CC1=C[C@H](O)CC1 83549082 573546896 /nfs/dbraw/zinc/54/68/96/573546896.db2.gz ZBDCISJCOVTLKO-WCBMZHEXSA-N 0 0 154.253 2.504 10 0 AFAERN O[C@@H]1C=C(c2cccc(Cl)c2)CC1 83548643 573546901 /nfs/dbraw/zinc/54/69/01/573546901.db2.gz LANZCVQCTJPPBJ-NSHDSACASA-N 0 0 194.661 2.878 10 0 AFAERN NCc1ncc(C2CCCCCC2)o1 83554520 573546906 /nfs/dbraw/zinc/54/69/06/573546906.db2.gz BGFAITRCGQVCSI-UHFFFAOYSA-N 0 0 194.278 2.571 10 0 AFAERN C=C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1O 238436042 573547500 /nfs/dbraw/zinc/54/75/00/573547500.db2.gz WNMPWLDSEQLRTL-MIMYLULJSA-N 0 0 166.264 2.515 10 0 AFAERN O[C@H]1C=C(c2ccccc2Cl)CC1 83548834 573546923 /nfs/dbraw/zinc/54/69/23/573546923.db2.gz KZPKYEVZVXUUTF-SECBINFHSA-N 0 0 194.661 2.878 10 0 AFAERN CC1=CCC[C@]12C(=O)CC[C@H]2C 238435928 573546924 /nfs/dbraw/zinc/54/69/24/573546924.db2.gz RNDVRCKNJXBOCJ-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CCC1(C[C@H](NN)C2(C)CC2)CCC1 308611034 573546941 /nfs/dbraw/zinc/54/69/41/573546941.db2.gz MEXNXBNWBNVSHC-JTQLQIEISA-N 0 0 196.338 2.589 10 0 AFAERN Cc1cc(C2=C[C@H](O)CC2)ccc1F 83549103 573546988 /nfs/dbraw/zinc/54/69/88/573546988.db2.gz CJEBMKVXQJEJFN-LLVKDONJSA-N 0 0 192.233 2.672 10 0 AFAERN Cc1cc(F)c(OC(C)C)c(C=O)c1 107364149 573546993 /nfs/dbraw/zinc/54/69/93/573546993.db2.gz ZMCJBWWHEYXJJX-UHFFFAOYSA-N 0 0 196.221 2.734 10 0 AFAERN CC(=O)CC/C=C\CCCC[C@@H](C)O 308626971 573546996 /nfs/dbraw/zinc/54/69/96/573546996.db2.gz OBWKBNXEXLTTJV-KTLBGCOUSA-N 0 0 198.306 2.853 10 0 AFAERN C[C@]12CC[C@]13CCCC(=O)[C@@H]3C2 238436767 573547000 /nfs/dbraw/zinc/54/70/00/573547000.db2.gz ABPVCSZTZGLEAS-GDPRMGEGSA-N 0 0 164.248 2.546 10 0 AFAERN Cc1cc(C2=C[C@@H](O)CC2)cs1 83549033 573547016 /nfs/dbraw/zinc/54/70/16/573547016.db2.gz DMHHHEHWWIBSQS-JTQLQIEISA-N 0 0 180.272 2.595 10 0 AFAERN Cc1ccc(F)c(C2=C[C@@H](O)CC2)c1 83548913 573549111 /nfs/dbraw/zinc/54/91/11/573549111.db2.gz BKRNSCKXIGSMKT-JTQLQIEISA-N 0 0 192.233 2.672 10 0 AFAERN O[C@@H]1C=C(c2c(F)cccc2F)CC1 83548933 573547078 /nfs/dbraw/zinc/54/70/78/573547078.db2.gz YZZNCGVUFMQIIL-QMMMGPOBSA-N 0 0 196.196 2.503 10 0 AFAERN C[C@]12CC[C@]13CCC[C@@H]3CCC2=O 238436782 573547096 /nfs/dbraw/zinc/54/70/96/573547096.db2.gz WPXAUDKDASEBNB-JLLWLGSASA-N 0 0 178.275 2.936 10 0 AFAERN CC[C@H](C)CC1=C[C@@H](O)CC1 83549086 573547132 /nfs/dbraw/zinc/54/71/32/573547132.db2.gz ZBDCISJCOVTLKO-WPRPVWTQSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cc(F)cc(C=O)c1OC(C)C 107364145 573547172 /nfs/dbraw/zinc/54/71/72/573547172.db2.gz XKIJAHOBTZNYOT-UHFFFAOYSA-N 0 0 196.221 2.734 10 0 AFAERN CC(/C=C\c1ccccc1C)=C/CO 308626323 573547200 /nfs/dbraw/zinc/54/72/00/573547200.db2.gz MITPJKKGOYORGV-JCBKOVKPSA-N 0 0 188.270 2.947 10 0 AFAERN C=C=C(C)[C@@H]1CC[C@@H](C)CC1=O 238436028 573547225 /nfs/dbraw/zinc/54/72/25/573547225.db2.gz VZYFWJSPHYSCTO-SCZZXKLOSA-N 0 0 164.248 2.723 10 0 AFAERN C[C@@H]1CCC[C@H](C2=C[C@H](O)CC2)C1 83548958 573547282 /nfs/dbraw/zinc/54/72/82/573547282.db2.gz BLUGUVPDTGKMND-JFGNBEQYSA-N 0 0 180.291 2.894 10 0 AFAERN O[C@@H]1C=C(CC2CCCC2)CC1 83548808 573547297 /nfs/dbraw/zinc/54/72/97/573547297.db2.gz UNUANGCMNRXRCW-NSHDSACASA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CCC(=O)[C@H]2CC=CC[C@@H]1C2 238435714 573547298 /nfs/dbraw/zinc/54/72/98/573547298.db2.gz SHLLRGSAWWBLPO-MXWKQRLJSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1CCC(=O)[C@]2(C)C=CCC=C12 238435950 573547304 /nfs/dbraw/zinc/54/73/04/573547304.db2.gz IAGUDBJXZDLGQB-BXKDBHETSA-N 0 0 176.259 2.878 10 0 AFAERN CC(C)(C)Cc1cc(O)ccc1N 257825571 573547323 /nfs/dbraw/zinc/54/73/23/573547323.db2.gz HDQAWHOMOPIBRN-UHFFFAOYSA-N 0 0 179.263 2.563 10 0 AFAERN O[C@H]1C=C(c2cccc(F)c2F)CC1 83548705 573547346 /nfs/dbraw/zinc/54/73/46/573547346.db2.gz FLURUNIQKKQGNV-MRVPVSSYSA-N 0 0 196.196 2.503 10 0 AFAERN Cc1cc(F)ccc1C1=C[C@@H](O)CC1 83549192 573547362 /nfs/dbraw/zinc/54/73/62/573547362.db2.gz GJYVVVMRFFFHJE-NSHDSACASA-N 0 0 192.233 2.672 10 0 AFAERN Cc1cc(F)c(O)c(C(=O)C(C)C)c1 107364167 573547403 /nfs/dbraw/zinc/54/74/03/573547403.db2.gz FKTZAFFNNVROTQ-UHFFFAOYSA-N 0 0 196.221 2.678 10 0 AFAERN Cc1ccc(C2=C[C@@H](O)CC2)cc1 83549050 573547422 /nfs/dbraw/zinc/54/74/22/573547422.db2.gz CUQZYFHEJFZJDC-LBPRGKRZSA-N 0 0 174.243 2.533 10 0 AFAERN O[C@@H]1C=C(c2cc(F)cc(F)c2)CC1 83548907 573547451 /nfs/dbraw/zinc/54/74/51/573547451.db2.gz BXVOBIKYSUQADM-NSHDSACASA-N 0 0 196.196 2.503 10 0 AFAERN O[C@@H]1C=C(c2cc(F)ccc2F)CC1 83548694 573549125 /nfs/dbraw/zinc/54/91/25/573549125.db2.gz YRYWQSDBSDVJDO-VIFPVBQESA-N 0 0 196.196 2.503 10 0 AFAERN C/C=C\[C@H](O)[C@H]1C=Cc2ccccc21 308626455 573547569 /nfs/dbraw/zinc/54/75/69/573547569.db2.gz MOLYFNKDKSIYJH-KZUJRYBGSA-N 0 0 186.254 2.734 10 0 AFAERN COc1[nH]cc(C)c1-c1ccccc1 238436349 573547579 /nfs/dbraw/zinc/54/75/79/573547579.db2.gz XKHVPBONQMXNFY-UHFFFAOYSA-N 0 0 187.242 2.999 10 0 AFAERN Cc1cc(C2=C[C@@H](O)CC2)ccc1F 83549105 573547584 /nfs/dbraw/zinc/54/75/84/573547584.db2.gz CJEBMKVXQJEJFN-NSHDSACASA-N 0 0 192.233 2.672 10 0 AFAERN CCC(CC)[C@@H](O)Cc1ccoc1 130338314 573547630 /nfs/dbraw/zinc/54/76/30/573547630.db2.gz CJEGOQRNTITOPP-NSHDSACASA-N 0 0 182.263 2.619 10 0 AFAERN C[C@H]1C[C@H](C)P1c1ccccc1N 238435741 573547673 /nfs/dbraw/zinc/54/76/73/573547673.db2.gz BFOIRXUAYMXIKA-IUCAKERBSA-N 0 0 193.230 2.557 10 0 AFAERN O[C@@H]1C=C(CCc2ccccc2)CC1 83548678 573547723 /nfs/dbraw/zinc/54/77/23/573547723.db2.gz NEYOOMXTTQEXAC-ZDUSSCGKSA-N 0 0 188.270 2.700 10 0 AFAERN Cc1ccc(C2=C[C@H](O)CC2)cc1C 83548758 573547845 /nfs/dbraw/zinc/54/78/45/573547845.db2.gz ILHLKJFUKPBUBA-CYBMUJFWSA-N 0 0 188.270 2.842 10 0 AFAERN COc1ccc([C@@H](F)CC(C)=O)cc1 257825817 573547855 /nfs/dbraw/zinc/54/78/55/573547855.db2.gz HIWVALHOWHEUBB-NSHDSACASA-N 0 0 196.221 2.685 10 0 AFAERN CC(C)(C)CCC1=C[C@@H](O)CC1 83548898 573547939 /nfs/dbraw/zinc/54/79/39/573547939.db2.gz LOBJXCGSFQCAAO-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN CCOCCCNc1ccccc1F 83550510 573547990 /nfs/dbraw/zinc/54/79/90/573547990.db2.gz NVOLSGIKGKCEHS-UHFFFAOYSA-N 0 0 197.253 2.664 10 0 AFAERN C[C@@H]1CCC[C@@H](C2=C[C@H](O)CC2)C1 83548962 573548036 /nfs/dbraw/zinc/54/80/36/573548036.db2.gz BLUGUVPDTGKMND-CKYFFXLPSA-N 0 0 180.291 2.894 10 0 AFAERN O[C@H]1C=C(CCc2ccccc2)CC1 83548676 573548050 /nfs/dbraw/zinc/54/80/50/573548050.db2.gz NEYOOMXTTQEXAC-CYBMUJFWSA-N 0 0 188.270 2.700 10 0 AFAERN O[C@H]1C=C(c2cccc(Cl)c2)CC1 83548641 573548188 /nfs/dbraw/zinc/54/81/88/573548188.db2.gz LANZCVQCTJPPBJ-LLVKDONJSA-N 0 0 194.661 2.878 10 0 AFAERN Cc1ccc2[nH]c3cc(C=O)[nH]c3c2c1 259505560 573548195 /nfs/dbraw/zinc/54/81/95/573548195.db2.gz ZBQFCGPHJDSUKI-UHFFFAOYSA-N 0 0 198.225 2.770 10 0 AFAERN Cc1ccccc1CC1=C[C@H](O)CC1 83548564 573548232 /nfs/dbraw/zinc/54/82/32/573548232.db2.gz DRCQVZJXQPKPCL-CYBMUJFWSA-N 0 0 188.270 2.619 10 0 AFAERN CC1=CCC(=O)Cc2ccccc21 197391980 573548248 /nfs/dbraw/zinc/54/82/48/573548248.db2.gz RUMHCRJPTRCWIZ-UHFFFAOYSA-N 0 0 172.227 2.605 10 0 AFAERN O[C@H]1C=C(c2ccc(F)cc2F)CC1 83548915 573548253 /nfs/dbraw/zinc/54/82/53/573548253.db2.gz PUUZSTTWLCYJTN-SECBINFHSA-N 0 0 196.196 2.503 10 0 AFAERN Cc1ccc(F)c(C2=C[C@H](O)CC2)c1 83548911 573548319 /nfs/dbraw/zinc/54/83/19/573548319.db2.gz BKRNSCKXIGSMKT-SNVBAGLBSA-N 0 0 192.233 2.672 10 0 AFAERN C[C@@H]1CCC(=O)[C@H]2CCC=C1C2 238435754 573548346 /nfs/dbraw/zinc/54/83/46/573548346.db2.gz SEXXEDAZDPBDSI-SCZZXKLOSA-N 0 0 164.248 2.712 10 0 AFAERN O[C@@H]1C=C(c2ccccc2Cl)CC1 83548835 573548364 /nfs/dbraw/zinc/54/83/64/573548364.db2.gz KZPKYEVZVXUUTF-VIFPVBQESA-N 0 0 194.661 2.878 10 0 AFAERN Cc1cc(C)cc(C2=C[C@H](O)CC2)c1 83549223 573548392 /nfs/dbraw/zinc/54/83/92/573548392.db2.gz AFSFSCBPTWMHSN-CYBMUJFWSA-N 0 0 188.270 2.842 10 0 AFAERN C[C@@H]1NC(=O)Nc2c(Cl)cccc21 257826338 573548405 /nfs/dbraw/zinc/54/84/05/573548405.db2.gz HPCGDWVVBZPJRC-YFKPBYRVSA-N 0 0 196.637 2.536 10 0 AFAERN O[C@H]1C=C(c2ccc(F)c(F)c2)CC1 83549194 573548451 /nfs/dbraw/zinc/54/84/51/573548451.db2.gz HJDQVONVLYPNNT-SECBINFHSA-N 0 0 196.196 2.503 10 0 AFAERN C[C@@H]1CCC(=O)[C@H]2CC=CC[C@H]21 238435703 573549050 /nfs/dbraw/zinc/54/90/50/573549050.db2.gz OSGBPLZZJFNLNQ-UTLUCORTSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccc(F)cc1C1=C[C@H](O)CC1 83548813 573548505 /nfs/dbraw/zinc/54/85/05/573548505.db2.gz UWPJGIRXZJRUTQ-LLVKDONJSA-N 0 0 192.233 2.672 10 0 AFAERN CCc1ccc(C2=C[C@@H](O)CC2)cc1 83549178 573548512 /nfs/dbraw/zinc/54/85/12/573548512.db2.gz NNCGYJIPBVDWLJ-ZDUSSCGKSA-N 0 0 188.270 2.787 10 0 AFAERN CCC[C@H](C)CC1=C[C@H](O)CC1 83548587 573548517 /nfs/dbraw/zinc/54/85/17/573548517.db2.gz AEEWYAXZGNJFBQ-GXSJLCMTSA-N 0 0 168.280 2.894 10 0 AFAERN CC(C)(C)CCC1=C[C@H](O)CC1 83548897 573548522 /nfs/dbraw/zinc/54/85/22/573548522.db2.gz LOBJXCGSFQCAAO-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1cccc(-c2c[nH]c(C=O)c2)c1 259118988 573548556 /nfs/dbraw/zinc/54/85/56/573548556.db2.gz HCCYPBDJTQXNOB-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN Cc1cccc(CC2=C[C@H](O)CC2)c1 83549233 573548562 /nfs/dbraw/zinc/54/85/62/573548562.db2.gz SJIRSPRJZJYQMY-CYBMUJFWSA-N 0 0 188.270 2.619 10 0 AFAERN Cc1cc(C2=C[C@H](O)CC2)cs1 83549031 573548574 /nfs/dbraw/zinc/54/85/74/573548574.db2.gz DMHHHEHWWIBSQS-SNVBAGLBSA-N 0 0 180.272 2.595 10 0 AFAERN C[C@]12CC=CC[C@H](CCC1)C2=O 238436727 573548577 /nfs/dbraw/zinc/54/85/77/573548577.db2.gz VFIWNEXWXUXTRG-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CC1CCC(C2=C[C@H](O)CC2)CC1 83548725 573549146 /nfs/dbraw/zinc/54/91/46/573549146.db2.gz ABHVHTXRCZYKQX-RTYFJBAXSA-N 0 0 180.291 2.894 10 0 AFAERN C[C@@]12CCC[C@@H](CCC1=O)C2 238436750 573548636 /nfs/dbraw/zinc/54/86/36/573548636.db2.gz ZLUMYFPBNZJIPV-WPRPVWTQSA-N 0 0 152.237 2.546 10 0 AFAERN COc1c(O)cccc1OC(C)(C)C 238436284 573548648 /nfs/dbraw/zinc/54/86/48/573548648.db2.gz XDSFRWKKTFVICV-UHFFFAOYSA-N 0 0 196.246 2.578 10 0 AFAERN CCC[C@@H]1[C@H](CO)[C@H]1c1ccccc1 308630009 573549056 /nfs/dbraw/zinc/54/90/56/573549056.db2.gz SSCBQHRJCXFICD-AGIUHOORSA-N 0 0 190.286 2.809 10 0 AFAERN Cc1ccc(C2=C[C@H](O)CC2)c(C)c1 83548764 573548686 /nfs/dbraw/zinc/54/86/86/573548686.db2.gz ZIQYRLVZPBISCG-GFCCVEGCSA-N 0 0 188.270 2.842 10 0 AFAERN Cc1cccc(CC2=C[C@@H](O)CC2)c1 83549235 573548704 /nfs/dbraw/zinc/54/87/04/573548704.db2.gz SJIRSPRJZJYQMY-ZDUSSCGKSA-N 0 0 188.270 2.619 10 0 AFAERN CCOc1c(F)cc(C)cc1C(C)=O 107364175 573548721 /nfs/dbraw/zinc/54/87/21/573548721.db2.gz FYAXLCOBDMIIJP-UHFFFAOYSA-N 0 0 196.221 2.735 10 0 AFAERN O[C@H]1C=C(CCc2ccsc2)CC1 83548695 573548727 /nfs/dbraw/zinc/54/87/27/573548727.db2.gz NHSQHSHIKWOMGE-LLVKDONJSA-N 0 0 194.299 2.762 10 0 AFAERN Cc1ccc(CC2=C[C@@H](O)CC2)cc1 83548978 573548742 /nfs/dbraw/zinc/54/87/42/573548742.db2.gz SGYQYTYQEDKWSP-ZDUSSCGKSA-N 0 0 188.270 2.619 10 0 AFAERN CC[C@@H](C)CC1=C[C@H](O)CC1 83549081 573548838 /nfs/dbraw/zinc/54/88/38/573548838.db2.gz ZBDCISJCOVTLKO-PSASIEDQSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1ccc(C)c(C2=C[C@@H](O)CC2)c1 83549175 573548923 /nfs/dbraw/zinc/54/89/23/573548923.db2.gz GMSLUDQINIFMHI-LBPRGKRZSA-N 0 0 188.270 2.842 10 0 AFAERN Cc1ccc(C2=C[C@@H](O)CC2)c(C)c1 83548765 573548929 /nfs/dbraw/zinc/54/89/29/573548929.db2.gz ZIQYRLVZPBISCG-LBPRGKRZSA-N 0 0 188.270 2.842 10 0 AFAERN Cc1ccc([C@H]2CCC(=O)[C@@H]2C)o1 238435696 573549001 /nfs/dbraw/zinc/54/90/01/573549001.db2.gz XZLJQVFYAFJNPG-BDAKNGLRSA-N 0 0 178.231 2.671 10 0 AFAERN O[C@@H]1C=C(CCc2ccsc2)CC1 83548697 573549014 /nfs/dbraw/zinc/54/90/14/573549014.db2.gz NHSQHSHIKWOMGE-NSHDSACASA-N 0 0 194.299 2.762 10 0 AFAERN Cc1c(F)cnc2cc(F)ccc12 257826034 573550616 /nfs/dbraw/zinc/55/06/16/573550616.db2.gz HKEBAVJXEBJOFG-UHFFFAOYSA-N 0 0 179.169 2.821 10 0 AFAERN CC(C)=C1[C@H](C)[C@@H]2CCC(=O)[C@@H]12 238437459 573551702 /nfs/dbraw/zinc/55/17/02/573551702.db2.gz JKBFUKBLJLKSHW-FYBVGQRMSA-N 0 0 164.248 2.568 10 0 AFAERN CCC[C@H]1[C@H](c2ccccc2)[C@@H]1CO 308630010 573550294 /nfs/dbraw/zinc/55/02/94/573550294.db2.gz SSCBQHRJCXFICD-UPJWGTAASA-N 0 0 190.286 2.809 10 0 AFAERN CC1(c2ccc(Cl)s2)COC1 259122473 573550321 /nfs/dbraw/zinc/55/03/21/573550321.db2.gz QDCDNVXSXJWAMW-UHFFFAOYSA-N 0 0 188.679 2.689 10 0 AFAERN CC(=O)C[C@H]1C[C@H](C)C1(C)C 238437456 573550325 /nfs/dbraw/zinc/55/03/25/573550325.db2.gz NYJLAGUSTNNPGE-IONNQARKSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc(C)c(C(F)(F)[C@@H](C)N)c1 259120705 573550372 /nfs/dbraw/zinc/55/03/72/573550372.db2.gz LCALFXARZJLJKB-SECBINFHSA-N 0 0 199.244 2.742 10 0 AFAERN C[C@H]1C(=O)[C@@H]2CC[C@@]3(C)CCC[C@@]123 238437633 573550419 /nfs/dbraw/zinc/55/04/19/573550419.db2.gz OGUGJBXFTBHKMV-GAIPPQHRSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)Sc1cccc(CCO)c1 257826095 573550451 /nfs/dbraw/zinc/55/04/51/573550451.db2.gz GYQGMWSHXKZMHF-UHFFFAOYSA-N 0 0 196.315 2.722 10 0 AFAERN CC(=O)CC1=CC[C@H](C)CC1 238437960 573550480 /nfs/dbraw/zinc/55/04/80/573550480.db2.gz ZPWXMPXJMQGEME-QMMMGPOBSA-N 0 0 152.237 2.712 10 0 AFAERN CCCCC[C@H](NN)C(CC)CC 130349756 573550546 /nfs/dbraw/zinc/55/05/46/573550546.db2.gz JREPEALXOGPODM-NSHDSACASA-N 0 0 186.343 2.835 10 0 AFAERN CCc1cc(C)ccc1NC(C)=O 224288998 573550577 /nfs/dbraw/zinc/55/05/77/573550577.db2.gz XJFXHANHPGVYFW-UHFFFAOYSA-N 0 0 177.247 2.516 10 0 AFAERN CCCC1CN(c2ccccc2N)C1 86662878 573550646 /nfs/dbraw/zinc/55/06/46/573550646.db2.gz HRKBAKQZLDERPS-UHFFFAOYSA-N 0 0 190.290 2.505 10 0 AFAERN CCCCC[C@@H](NN)C(CC)CC 130349987 573550709 /nfs/dbraw/zinc/55/07/09/573550709.db2.gz JREPEALXOGPODM-LLVKDONJSA-N 0 0 186.343 2.835 10 0 AFAERN Cc1ccc(C)c(C(F)(F)[C@H](C)N)c1 259120707 573550712 /nfs/dbraw/zinc/55/07/12/573550712.db2.gz LCALFXARZJLJKB-VIFPVBQESA-N 0 0 199.244 2.742 10 0 AFAERN CC(=O)C[C@]1(C)[C@@H](C)C1(C)C 238439146 573554614 /nfs/dbraw/zinc/55/46/14/573554614.db2.gz FSQFOQBTWPXAAT-WCBMZHEXSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1C(=O)[C@@H]2CC[C@@]1(C)C2(C)C 238437588 573550850 /nfs/dbraw/zinc/55/08/50/573550850.db2.gz PVJBDKPUGIYGTI-DKCNOQQISA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccc(C2CCC(O)CC2)o1 259119894 573550905 /nfs/dbraw/zinc/55/09/05/573550905.db2.gz GGFQVPCXVDATKV-UHFFFAOYSA-N 0 0 180.247 2.607 10 0 AFAERN CC[C@@H]1CC(=O)Nc2c(F)cccc21 257826207 573550938 /nfs/dbraw/zinc/55/09/38/573550938.db2.gz HLEXUHLQERKLSY-SSDOTTSWSA-N 0 0 193.221 2.662 10 0 AFAERN Cc1cc(-c2ccc(N)cc2)cc(C)n1 82384382 573551090 /nfs/dbraw/zinc/55/10/90/573551090.db2.gz JRCPPRPOMHAUGE-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Nc1ccc2sc(Cl)cc2n1 258062962 573551284 /nfs/dbraw/zinc/55/12/84/573551284.db2.gz SWAIMEBASJWMJB-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN C[C@H]1NC(=O)Nc2c(Cl)cccc21 257826336 573551303 /nfs/dbraw/zinc/55/13/03/573551303.db2.gz HPCGDWVVBZPJRC-RXMQYKEDSA-N 0 0 196.637 2.536 10 0 AFAERN CC[C@H](C)Nc1cc(N)ccc1F 86662904 573551382 /nfs/dbraw/zinc/55/13/82/573551382.db2.gz GVDOWYRUDYXOSZ-ZETCQYMHSA-N 0 0 182.242 2.618 10 0 AFAERN C=C/C=C\c1ccoc1[C@H](C)[C@H](C)O 308629060 573551458 /nfs/dbraw/zinc/55/14/58/573551458.db2.gz QXICRZCTLRWUAP-LZCWPNQWSA-N 0 0 192.258 2.963 10 0 AFAERN C=C/C=C\c1ccoc1[C@H](C)[C@@H](C)O 308629058 573551467 /nfs/dbraw/zinc/55/14/67/573551467.db2.gz QXICRZCTLRWUAP-KWMOZEJZSA-N 0 0 192.258 2.963 10 0 AFAERN COc1ccc([C@H](F)CC(C)=O)cc1 257825816 573551489 /nfs/dbraw/zinc/55/14/89/573551489.db2.gz HIWVALHOWHEUBB-LLVKDONJSA-N 0 0 196.221 2.685 10 0 AFAERN C[C@@H]1[C@@H]2CCCC(=O)[C@@]23CCC[C@@H]13 238437578 573551533 /nfs/dbraw/zinc/55/15/33/573551533.db2.gz SXAWRQQDIGERKH-WDCWCFNPSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@@H]1CC[C@@H](Cc2ccccc2)[C@@H]1O 238437806 573551687 /nfs/dbraw/zinc/55/16/87/573551687.db2.gz SDCWKHKKDWNDKR-KGYLQXTDSA-N 0 0 190.286 2.636 10 0 AFAERN CC[C@@H](C)Nc1cc(N)ccc1F 86662903 573551822 /nfs/dbraw/zinc/55/18/22/573551822.db2.gz GVDOWYRUDYXOSZ-SSDOTTSWSA-N 0 0 182.242 2.618 10 0 AFAERN C[C@H]1C(=O)[C@H](C)C2=C1CCCC2 238437781 573551971 /nfs/dbraw/zinc/55/19/71/573551971.db2.gz FEMRMUGDMZVNQH-HTQZYQBOSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cccc(OC(C)(C)C)c1O 95710995 573552038 /nfs/dbraw/zinc/55/20/38/573552038.db2.gz FJZLBFXMZPEWGN-UHFFFAOYSA-N 0 0 180.247 2.878 10 0 AFAERN CCn1nccc1N[C@@H](C)CC1CC1 308629225 573552323 /nfs/dbraw/zinc/55/23/23/573552323.db2.gz YGRXKKKLMWAHNB-VIFPVBQESA-N 0 0 193.294 2.504 10 0 AFAERN C[C@@H]1C(=O)[C@@]2(C)C[C@@H]1C(C)(C)C2 238437160 573552410 /nfs/dbraw/zinc/55/24/10/573552410.db2.gz GSAZUFYLRBJJHH-LAEOZQHASA-N 0 0 166.264 2.648 10 0 AFAERN COCc1ccc(C(C)C)cc1OC 259502182 573552424 /nfs/dbraw/zinc/55/24/24/573552424.db2.gz UMTATBAGTBBSFE-UHFFFAOYSA-N 0 0 194.274 2.965 10 0 AFAERN CCn1nccc1N[C@H](C)CC1CC1 308629222 573552572 /nfs/dbraw/zinc/55/25/72/573552572.db2.gz YGRXKKKLMWAHNB-SECBINFHSA-N 0 0 193.294 2.504 10 0 AFAERN C=C/C=C/c1ccoc1[C@H](C)[C@@H](C)O 308629056 573552662 /nfs/dbraw/zinc/55/26/62/573552662.db2.gz QXICRZCTLRWUAP-GMCFVEKCSA-N 0 0 192.258 2.963 10 0 AFAERN CNc1csc(-c2ccc(C)o2)n1 259503934 573552703 /nfs/dbraw/zinc/55/27/03/573552703.db2.gz ZYSGJCPCMKPRPF-UHFFFAOYSA-N 0 0 194.259 2.753 10 0 AFAERN C[C@@H]1C(=O)[C@H](C)C2=C1CCCC2 238437475 573552723 /nfs/dbraw/zinc/55/27/23/573552723.db2.gz FEMRMUGDMZVNQH-OCAPTIKFSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc2c(cc1F)NCC[C@H](C)N2 235616435 573552772 /nfs/dbraw/zinc/55/27/72/573552772.db2.gz COBCNTSSIRDBBR-QMMMGPOBSA-N 0 0 194.253 2.750 10 0 AFAERN CC(=O)C[C@@H]1C=C[C@@H](C)[C@@H](C)C1 238437484 573552778 /nfs/dbraw/zinc/55/27/78/573552778.db2.gz FBHGMIBQKHWKIP-WCABBAIRSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1ccc(O)cc1CC1CC1 95710969 573552813 /nfs/dbraw/zinc/55/28/13/573552813.db2.gz LIINNCWLXQTZGT-UHFFFAOYSA-N 0 0 162.232 2.653 10 0 AFAERN CCC(=O)[C@@H]1CC[C@H]2CCC[C@@H]21 197049695 573552837 /nfs/dbraw/zinc/55/28/37/573552837.db2.gz KKBRDAOZCUBOQE-KXUCPTDWSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc(OC2CC2)c(F)c1 95724603 573552855 /nfs/dbraw/zinc/55/28/55/573552855.db2.gz IKXGQXYGKQNOEZ-UHFFFAOYSA-N 0 0 166.195 2.675 10 0 AFAERN Nc1c(F)ccc2sccc12 75397096 573552992 /nfs/dbraw/zinc/55/29/92/573552992.db2.gz NQIXDHRTVKYJTD-UHFFFAOYSA-N 0 0 167.208 2.623 10 0 AFAERN CC(=O)CNc1cc(Cl)ccc1C 258773252 573553007 /nfs/dbraw/zinc/55/30/07/573553007.db2.gz ZAHGXKXNNZUDCO-UHFFFAOYSA-N 0 0 197.665 2.649 10 0 AFAERN CC(C)Cc1c[nH]c(C(F)(F)F)n1 259120413 573553057 /nfs/dbraw/zinc/55/30/57/573553057.db2.gz PWDFHMUZXCFKFT-UHFFFAOYSA-N 0 0 192.184 2.627 10 0 AFAERN CC(=O)c1cc2ccc(N)cc2s1 75397036 573553058 /nfs/dbraw/zinc/55/30/58/573553058.db2.gz ILEOEHMQBVUIMD-UHFFFAOYSA-N 0 0 191.255 2.686 10 0 AFAERN C[C@H]1CC[C@H](C)C12CCCC2=O 238437153 573553061 /nfs/dbraw/zinc/55/30/61/573553061.db2.gz ZCCUYXSKTOLUCP-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H](CO)[C@H]1CCCC(C)(C)C1 238437611 573553106 /nfs/dbraw/zinc/55/31/06/573553106.db2.gz FICGLESTTWBZKH-ZJUUUORDSA-N 0 0 170.296 2.831 10 0 AFAERN OC/C=C1\CCCCc2ccccc21 308629239 573553126 /nfs/dbraw/zinc/55/31/26/573553126.db2.gz RPQMECDYTKRMPW-FMIVXFBMSA-N 0 0 188.270 2.789 10 0 AFAERN CCc1cccc(OC2CC2)c1 95714057 573554545 /nfs/dbraw/zinc/55/45/45/573554545.db2.gz FOVYHNAAMJXQEV-UHFFFAOYSA-N 0 0 162.232 2.790 10 0 AFAERN C[C@@H]1[C@@H]2CCCC(=O)[C@@]23CCC[C@H]13 238437594 573553208 /nfs/dbraw/zinc/55/32/08/573553208.db2.gz SXAWRQQDIGERKH-KLBPJQLPSA-N 0 0 178.275 2.792 10 0 AFAERN Cc1c(N)ccc2sccc12 75397087 573553218 /nfs/dbraw/zinc/55/32/18/573553218.db2.gz RUMCGWPRFADZKB-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN C[C@H]1C[C@H](C)c2cc(N)ccc21 238436902 573553234 /nfs/dbraw/zinc/55/32/34/573553234.db2.gz LFGFOJJJPRKKFD-YUMQZZPRSA-N 0 0 161.248 2.880 10 0 AFAERN CCC(=O)[C@@H]1CC[C@@H]2CCC[C@@H]21 197049718 573553245 /nfs/dbraw/zinc/55/32/45/573553245.db2.gz KKBRDAOZCUBOQE-LPEHRKFASA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)C[C@@H]1C=C[C@H](C)[C@@H](C)C1 238437474 573553249 /nfs/dbraw/zinc/55/32/49/573553249.db2.gz FBHGMIBQKHWKIP-ATZCPNFKSA-N 0 0 166.264 2.814 10 0 AFAERN CCCCc1cnccc1[C@@H](C)CO 238266514 573553285 /nfs/dbraw/zinc/55/32/85/573553285.db2.gz FWVKCJIMAOUGOU-JTQLQIEISA-N 0 0 193.290 2.520 10 0 AFAERN O=Cc1cc2c([nH]1)-c1ccccc1CC2 82385216 573553322 /nfs/dbraw/zinc/55/33/22/573553322.db2.gz NLQCGLVXWGREFI-UHFFFAOYSA-N 0 0 197.237 2.593 10 0 AFAERN C[C@@H]1CC[C@@H](C2(C)CC2)[C@@H](O)C1 238436914 573553371 /nfs/dbraw/zinc/55/33/71/573553371.db2.gz QIZIFTRQINFQMU-BBBLOLIVSA-N 0 0 168.280 2.584 10 0 AFAERN O=C1CCCC=CC12CCCC2 197043849 573553445 /nfs/dbraw/zinc/55/34/45/573553445.db2.gz ODWLEDUFQIQKPI-UHFFFAOYSA-N 0 0 164.248 2.856 10 0 AFAERN CCc1c(O)cccc1C(F)(F)F 95711034 573553502 /nfs/dbraw/zinc/55/35/02/573553502.db2.gz UIWOISCUGZDDQV-UHFFFAOYSA-N 0 0 190.164 2.973 10 0 AFAERN CCC[C@H](O)/C=C(/C)[Si](C)(C)C 238266275 573553639 /nfs/dbraw/zinc/55/36/39/573553639.db2.gz LHBQASYNZNVACX-QROTZFDESA-N 0 0 186.371 2.971 10 0 AFAERN CC(=O)c1cc2cc(F)ccc2n1C 75393455 573553649 /nfs/dbraw/zinc/55/36/49/573553649.db2.gz PFLVREQIPWRSRP-UHFFFAOYSA-N 0 0 191.205 2.520 10 0 AFAERN CC/C(=C/c1c(F)cccc1F)CO 211908738 573554021 /nfs/dbraw/zinc/55/40/21/573554021.db2.gz JCJGAEOEGVJQJP-VURMDHGXSA-N 0 0 198.212 2.751 10 0 AFAERN CCc1c(C)sc2cc(C)c(N)n12 75395873 573554044 /nfs/dbraw/zinc/55/40/44/573554044.db2.gz OWGTUKFSOSMQMP-UHFFFAOYSA-N 0 0 194.303 2.762 10 0 AFAERN CC(=O)c1cc2c(C)c(N)ccc2o1 75396793 573554062 /nfs/dbraw/zinc/55/40/62/573554062.db2.gz OCMZDAHYRKWZSX-UHFFFAOYSA-N 0 0 189.214 2.526 10 0 AFAERN Cc1ccc2c(c1)C[C@@H](O)CC2(C)C 197041539 573554072 /nfs/dbraw/zinc/55/40/72/573554072.db2.gz DTLOJSHEKWIIDP-LLVKDONJSA-N 0 0 190.286 2.580 10 0 AFAERN CC/C(=C/c1ccc(F)c(F)c1)CO 211908804 573554194 /nfs/dbraw/zinc/55/41/94/573554194.db2.gz HUOVSWWLBKNRIZ-YVMONPNESA-N 0 0 198.212 2.751 10 0 AFAERN CC(=O)c1cc2c(cc(C)n2C)s1 75395262 573554239 /nfs/dbraw/zinc/55/42/39/573554239.db2.gz UEINOTOLMYSDMY-UHFFFAOYSA-N 0 0 193.271 2.751 10 0 AFAERN O=C(C(F)F)[C@H]1CCCC(F)(F)C1 686247039 573554337 /nfs/dbraw/zinc/55/43/37/573554337.db2.gz BMECYOFLMNSDLF-YFKPBYRVSA-N 0 0 198.159 2.646 10 0 AFAERN CC(=O)c1cc2c(N)ccc(C)c2o1 75396791 573554340 /nfs/dbraw/zinc/55/43/40/573554340.db2.gz CYSQBKQHRLEXBY-UHFFFAOYSA-N 0 0 189.214 2.526 10 0 AFAERN CC(=O)c1cc2c(C)cccc2n1C 75393450 573554370 /nfs/dbraw/zinc/55/43/70/573554370.db2.gz PEARMKYZONLACG-UHFFFAOYSA-N 0 0 187.242 2.689 10 0 AFAERN CC1=CC[C@H](C(=O)C(C)C)CC1 223159366 573554377 /nfs/dbraw/zinc/55/43/77/573554377.db2.gz ZBQZEEYUERCDOK-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN CCC(F)(F)c1ccc(CO)cc1 259504672 573554481 /nfs/dbraw/zinc/55/44/81/573554481.db2.gz OJMKTNLDGDAFKN-UHFFFAOYSA-N 0 0 186.201 2.681 10 0 AFAERN Cc1ccc2c(c1)C[C@H](O)CC2(C)C 197041529 573554522 /nfs/dbraw/zinc/55/45/22/573554522.db2.gz DTLOJSHEKWIIDP-NSHDSACASA-N 0 0 190.286 2.580 10 0 AFAERN CC(C)c1ccc(N(C)C)c(O)c1 95710386 573555546 /nfs/dbraw/zinc/55/55/46/573555546.db2.gz XGBSUCPPVLFFAB-UHFFFAOYSA-N 0 0 179.263 2.582 10 0 AFAERN CC(=O)c1cc2c(C)ccc(C)c2[nH]1 75393362 573555555 /nfs/dbraw/zinc/55/55/55/573555555.db2.gz IZMRTKWUKVSAFW-UHFFFAOYSA-N 0 0 187.242 2.987 10 0 AFAERN CCc1cc(SC)ccc1O 95711150 573555558 /nfs/dbraw/zinc/55/55/58/573555558.db2.gz WJSUFKCAUKNHBS-UHFFFAOYSA-N 0 0 168.261 2.677 10 0 AFAERN C[C@H]1C(C)(C)[C@]12CCCCC2=O 238439160 573556502 /nfs/dbraw/zinc/55/65/02/573556502.db2.gz HHHGMWBVXMKBDN-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN CCNc1ccc2cccnc2c1C 197060206 573556546 /nfs/dbraw/zinc/55/65/46/573556546.db2.gz GFQMLJJDZQPSDM-UHFFFAOYSA-N 0 0 186.258 2.975 10 0 AFAERN CC(=O)C[C@@]1(C)[C@@H](C)C1(C)C 238438886 573556580 /nfs/dbraw/zinc/55/65/80/573556580.db2.gz FSQFOQBTWPXAAT-WPRPVWTQSA-N 0 0 154.253 2.648 10 0 AFAERN Nc1ccc(F)c2sccc12 75397086 573556595 /nfs/dbraw/zinc/55/65/95/573556595.db2.gz VNBCJGTZYFUBMY-UHFFFAOYSA-N 0 0 167.208 2.623 10 0 AFAERN Nc1ccc(Cl)c2occc12 75396851 573556603 /nfs/dbraw/zinc/55/66/03/573556603.db2.gz QHKIPRXFVNDKST-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN CC(=O)c1cc2c(N)cccc2s1 75397023 573556642 /nfs/dbraw/zinc/55/66/42/573556642.db2.gz QCHFSPKMZNFKQI-UHFFFAOYSA-N 0 0 191.255 2.686 10 0 AFAERN C[C@@H]1CC[C@@H](C)C12CCC[C@@H](O)C2 238438918 573556895 /nfs/dbraw/zinc/55/68/95/573556895.db2.gz FTUDVJLQKAYIRC-GMTAPVOTSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@]12C[C@H](CC3=C1CCCC3)C2=O 238438907 573556772 /nfs/dbraw/zinc/55/67/72/573556772.db2.gz LPBRLKLOVNRWEN-CABZTGNLSA-N 0 0 176.259 2.856 10 0 AFAERN Cc1ccc(N)c2ccsc12 75397085 573556808 /nfs/dbraw/zinc/55/68/08/573556808.db2.gz YPDBTSRLXHFFNQ-UHFFFAOYSA-N 0 0 163.245 2.792 10 0 AFAERN C[C@H]1C(C)(C)[C@@]12CCCCC2=O 238438905 573557333 /nfs/dbraw/zinc/55/73/33/573557333.db2.gz HHHGMWBVXMKBDN-KWQFWETISA-N 0 0 166.264 2.792 10 0 AFAERN CC1=CC(C)(C)[C@@H](C)C[C@@H]1CO 238439200 573557354 /nfs/dbraw/zinc/55/73/54/573557354.db2.gz XZULEOBEJXWYJS-VHSXEESVSA-N 0 0 168.280 2.607 10 0 AFAERN CC(C)Cc1cccc([C@H](C)CO)c1 257831013 573557402 /nfs/dbraw/zinc/55/74/02/573557402.db2.gz JWPKINQKXVSCQJ-LLVKDONJSA-N 0 0 192.302 2.981 10 0 AFAERN CC[C@@H]1C=Cc2ccccc2[C@@H]1CO 223121036 573557426 /nfs/dbraw/zinc/55/74/26/573557426.db2.gz QIOPAQSTDQLKMK-ZWNOBZJWSA-N 0 0 188.270 2.816 10 0 AFAERN C[C@H](O)c1ccc(C(C)(C)C)cc1O 238438615 573557429 /nfs/dbraw/zinc/55/74/29/573557429.db2.gz RJPHXYGBBHWURG-QMMMGPOBSA-N 0 0 194.274 2.743 10 0 AFAERN Cc1cc(C)c2c(c1)-c1n[nH]cc1CN2 82383730 573557460 /nfs/dbraw/zinc/55/74/60/573557460.db2.gz AJEHTPVFFDHOAD-UHFFFAOYSA-N 0 0 199.257 2.619 10 0 AFAERN C[C@H]1CCn2c(cnc2C2CCC2)C1 258407219 573557713 /nfs/dbraw/zinc/55/77/13/573557713.db2.gz VFAWQLVKHYDLSH-VIFPVBQESA-N 0 0 190.290 2.733 10 0 AFAERN OC[C@H]1CCCc2cccc(Cl)c21 197050977 573557902 /nfs/dbraw/zinc/55/79/02/573557902.db2.gz WQPYLLAZCUMLMR-SECBINFHSA-N 0 0 196.677 2.752 10 0 AFAERN Cc1nc(-c2cccs2)sc1N 75404376 573561049 /nfs/dbraw/zinc/56/10/49/573561049.db2.gz KJAIBRMQQUXZSO-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN CCc1ccc(C)cc1[C@@H](C)CO 258060320 573558014 /nfs/dbraw/zinc/55/80/14/573558014.db2.gz SMKORHJSLZPRKB-JTQLQIEISA-N 0 0 178.275 2.653 10 0 AFAERN O=C(C(F)F)[C@@H]1CCCC(F)(F)C1 686247036 573558319 /nfs/dbraw/zinc/55/83/19/573558319.db2.gz BMECYOFLMNSDLF-RXMQYKEDSA-N 0 0 198.159 2.646 10 0 AFAERN c1cc2cc3c(cc2cn1)CCC3 145099831 573558113 /nfs/dbraw/zinc/55/81/13/573558113.db2.gz FFXUPTYEBINKAE-UHFFFAOYSA-N 0 0 169.227 2.724 10 0 AFAERN CC(=O)Sc1c[nH]c2ccccc12 145187586 573558193 /nfs/dbraw/zinc/55/81/93/573558193.db2.gz PCCGXZVUVHXTKW-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN Cc1ccc2cnc(-c3ccco3)n2c1 258059949 573558216 /nfs/dbraw/zinc/55/82/16/573558216.db2.gz UJVJQNODSWZRMD-UHFFFAOYSA-N 0 0 198.225 2.903 10 0 AFAERN C[C@H]1C[C@@]1(O)C1(C)CCCCC1 235617452 573558355 /nfs/dbraw/zinc/55/83/55/573558355.db2.gz XGLPIXNALICSHA-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cccc(C)c1[C@]1(O)C[C@@H]1C 235617944 573558402 /nfs/dbraw/zinc/55/84/02/573558402.db2.gz DJCFIFJBELCKRZ-JQWIXIFHSA-N 0 0 176.259 2.531 10 0 AFAERN C[C@H]1CCCC[C@]12CCCC2=O 238440288 573558562 /nfs/dbraw/zinc/55/85/62/573558562.db2.gz JRFVMWCJHBQJEX-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@H]1C(=O)C[C@@H]1C[Si](C)(C)C 238440224 573558586 /nfs/dbraw/zinc/55/85/86/573558586.db2.gz XDFBDZASVTXFQQ-HTQZYQBOSA-N 0 0 170.328 2.550 10 0 AFAERN O=Cc1ccc2ccc(C3CC3)cc2n1 144964277 573558626 /nfs/dbraw/zinc/55/86/26/573558626.db2.gz VSAQBUQZPQYCNH-UHFFFAOYSA-N 0 0 197.237 2.925 10 0 AFAERN C[C@@H](O)c1ccc(C(F)F)cc1 124639665 573558637 /nfs/dbraw/zinc/55/86/37/573558637.db2.gz IXCFPGIBOGCRPU-ZCFIWIBFSA-N 0 0 172.174 2.678 10 0 AFAERN CCc1ccc(C)cc1C1(O)CC1 258060292 573558724 /nfs/dbraw/zinc/55/87/24/573558724.db2.gz SMGMLYFRHDYGEN-UHFFFAOYSA-N 0 0 176.259 2.539 10 0 AFAERN C[C@@H]1CCC2=C(C1)NC(=O)CC2(C)C 238440396 573558945 /nfs/dbraw/zinc/55/89/45/573558945.db2.gz KMQGHCYQSRURQT-MRVPVSSYSA-N 0 0 193.290 2.607 10 0 AFAERN Cc1ccc(-c2ccnc(N)c2)c(C)c1 82384361 573558994 /nfs/dbraw/zinc/55/89/94/573558994.db2.gz CHJKEXCTSVGNLM-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1nc2c(C)c(C)c(N)cc2s1 75398055 573559047 /nfs/dbraw/zinc/55/90/47/573559047.db2.gz QYPQWKOBQRUAQX-UHFFFAOYSA-N 0 0 192.287 2.804 10 0 AFAERN CCc1c(C(C)=O)[nH]c2ccccc12 75404049 573559117 /nfs/dbraw/zinc/55/91/17/573559117.db2.gz CJVRYIOJBQJROY-UHFFFAOYSA-N 0 0 187.242 2.933 10 0 AFAERN CC(C)=C(C)c1cc(N)ccc1N 145190873 573559140 /nfs/dbraw/zinc/55/91/40/573559140.db2.gz SRPMSDRCTAVGLD-UHFFFAOYSA-N 0 0 176.263 2.664 10 0 AFAERN C=Cc1cccc2cc(CO)ccc12 145165501 573559233 /nfs/dbraw/zinc/55/92/33/573559233.db2.gz OMJPQEUJGYOHPJ-UHFFFAOYSA-N 0 0 184.238 2.975 10 0 AFAERN Cc1ccc2c(c1C)NCc1c[nH]nc1-2 82383735 573559269 /nfs/dbraw/zinc/55/92/69/573559269.db2.gz AJWCNKFZQRBEMM-UHFFFAOYSA-N 0 0 199.257 2.619 10 0 AFAERN OC[C@H]1CCCc2cc(Cl)ccc21 197051001 573559451 /nfs/dbraw/zinc/55/94/51/573559451.db2.gz MPHAEKDJCMIAAH-SECBINFHSA-N 0 0 196.677 2.752 10 0 AFAERN CCCCCCC(=O)c1cnn(C)c1 83571744 573559426 /nfs/dbraw/zinc/55/94/26/573559426.db2.gz GRTAGDMWULRVCN-UHFFFAOYSA-N 0 0 194.278 2.573 10 0 AFAERN CCC(CC)CCOC(=O)C1CC1 393536930 573561082 /nfs/dbraw/zinc/56/10/82/573561082.db2.gz IBHRBYNYNSTATO-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN C[C@@H]1CCn2c(cnc2C2CCC2)C1 258407217 573560760 /nfs/dbraw/zinc/56/07/60/573560760.db2.gz VFAWQLVKHYDLSH-SECBINFHSA-N 0 0 190.290 2.733 10 0 AFAERN CC/C=C\CC(=O)[C@H](CO)CCCC 308621348 573560843 /nfs/dbraw/zinc/56/08/43/573560843.db2.gz FPBXNLXJSLRCMJ-XOIDGJRKSA-N 0 0 198.306 2.711 10 0 AFAERN CCc1cc(N)cc2sc(C)nc12 75398072 573560863 /nfs/dbraw/zinc/56/08/63/573560863.db2.gz ZRKNIMYRQKNVQH-UHFFFAOYSA-N 0 0 192.287 2.749 10 0 AFAERN CO/C=C/C=C\[C@@H](O)C1CCCCC1 308623255 573560963 /nfs/dbraw/zinc/56/09/63/573560963.db2.gz HMFNSFGWNZOVKQ-JBNUFPPTSA-N 0 0 196.290 2.644 10 0 AFAERN OC/C=C(\Cc1ccccc1)C1CC1 308622865 573561456 /nfs/dbraw/zinc/56/14/56/573561456.db2.gz HKIVIRQJKCXFRQ-MDWZMJQESA-N 0 0 188.270 2.558 10 0 AFAERN C[C@H](O)c1ccc(C(F)F)cc1 124639352 573561948 /nfs/dbraw/zinc/56/19/48/573561948.db2.gz IXCFPGIBOGCRPU-LURJTMIESA-N 0 0 172.174 2.678 10 0 AFAERN O=Cc1c(F)cc(F)c2ccoc12 258062496 573562174 /nfs/dbraw/zinc/56/21/74/573562174.db2.gz STHFEGDOWGQFAR-UHFFFAOYSA-N 0 0 182.125 2.524 10 0 AFAERN O=Cc1ccc2c3c[nH]ccc-3nc2c1 259509840 573562177 /nfs/dbraw/zinc/56/21/77/573562177.db2.gz QUBOSOKFIHBFDH-UHFFFAOYSA-N 0 0 196.209 2.529 10 0 AFAERN CC(C)c1ccncc1CC(C)(C)O 259509579 573562254 /nfs/dbraw/zinc/56/22/54/573562254.db2.gz ZMGNKHKMQAJWSS-UHFFFAOYSA-N 0 0 193.290 2.518 10 0 AFAERN CCC1(C[C@@H](CC(C)C)NN)CCC1 308623123 573562273 /nfs/dbraw/zinc/56/22/73/573562273.db2.gz XRINBKISWXQWNK-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN C/C=C(/C)[C@H](OC)[C@H](C)/C=C(\C)CO 308622835 573562786 /nfs/dbraw/zinc/56/27/86/573562786.db2.gz HEVNUWWWORREQN-WZIWEQOJSA-N 0 0 198.306 2.542 10 0 AFAERN CCC[C@H](SC)[C@@H](CC)CO 238268777 573562483 /nfs/dbraw/zinc/56/24/83/573562483.db2.gz IRVQDAAZJRNAPS-IUCAKERBSA-N 0 0 176.325 2.537 10 0 AFAERN Cc1ccc(-c2ccccc2O)[nH]1 145164055 573562535 /nfs/dbraw/zinc/56/25/35/573562535.db2.gz YKQNXDJZQCQQGM-UHFFFAOYSA-N 0 0 173.215 2.696 10 0 AFAERN CCC1(C[C@H](CC(C)C)NN)CCC1 308623124 573562546 /nfs/dbraw/zinc/56/25/46/573562546.db2.gz XRINBKISWXQWNK-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN CC/C=C\CC(=O)[C@@H](CO)CCCC 308621346 573562796 /nfs/dbraw/zinc/56/27/96/573562796.db2.gz FPBXNLXJSLRCMJ-JPVGGKMYSA-N 0 0 198.306 2.711 10 0 AFAERN CCC[C@@H]1CCC[C@H](OC(=O)NC)C1 238268644 573562738 /nfs/dbraw/zinc/56/27/38/573562738.db2.gz XOXDCAVVNBQEBI-ZJUUUORDSA-N 0 0 199.294 2.701 10 0 AFAERN C/C=C\CCC(=O)[C@@H](CO)CCCC 308622089 573562745 /nfs/dbraw/zinc/56/27/45/573562745.db2.gz GGDJHFWSJRYWAP-USEMIUTHSA-N 0 0 198.306 2.711 10 0 AFAERN Cc1cccc2c1c(C)c(C=O)n2C 257831090 573563038 /nfs/dbraw/zinc/56/30/38/573563038.db2.gz JLVVUVDXCQSHIC-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN Cc1cc2cccc(N)c2c(Cl)n1 258062240 573562998 /nfs/dbraw/zinc/56/29/98/573562998.db2.gz HJOQMNFMCWMQNZ-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN C[C@H]1CCCC[C@]12CCC(=O)C2 238440258 573563004 /nfs/dbraw/zinc/56/30/04/573563004.db2.gz IAFMEGGPSFSGNG-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN CCC1([C@H](O)Cc2ccccc2)CC1 308621524 573563025 /nfs/dbraw/zinc/56/30/25/573563025.db2.gz UDGUABWQPPGERF-GFCCVEGCSA-N 0 0 190.286 2.780 10 0 AFAERN CC1(C)CC[C@@]2(CCC(=O)C2)C1 145196505 573563162 /nfs/dbraw/zinc/56/31/62/573563162.db2.gz FBOXSMUSXNMRHM-LLVKDONJSA-N 0 0 166.264 2.936 10 0 AFAERN COC(=O)[C@@H](CC1CCC1)C(C)C 259511448 573563206 /nfs/dbraw/zinc/56/32/06/573563206.db2.gz VDNIEIRSPSTAQQ-JTQLQIEISA-N 0 0 184.279 2.622 10 0 AFAERN CCCOC[C@@H](O)C1=CCCCCC1 233229794 573563224 /nfs/dbraw/zinc/56/32/24/573563224.db2.gz OWMGGASVRCFMQB-GFCCVEGCSA-N 0 0 198.306 2.664 10 0 AFAERN Cc1cccc(C[C@H](C)O)c1Cl 258061952 573563331 /nfs/dbraw/zinc/56/33/31/573563331.db2.gz LOQSDOSLSLDWGF-QMMMGPOBSA-N 0 0 184.666 2.572 10 0 AFAERN CCC1([C@@H](O)Cc2ccccc2)CC1 308621525 573563523 /nfs/dbraw/zinc/56/35/23/573563523.db2.gz UDGUABWQPPGERF-LBPRGKRZSA-N 0 0 190.286 2.780 10 0 AFAERN C/C=C(/C)[C@@H](OC)[C@@H](C)/C=C(/C)CO 308622834 573563585 /nfs/dbraw/zinc/56/35/85/573563585.db2.gz HEVNUWWWORREQN-POYODVKCSA-N 0 0 198.306 2.542 10 0 AFAERN CC[C@@H](C)Nc1ccc(F)c(N)c1 86678477 573563834 /nfs/dbraw/zinc/56/38/34/573563834.db2.gz NWFAZPPFKFPZMV-SSDOTTSWSA-N 0 0 182.242 2.618 10 0 AFAERN Cl/C=C\COC/C=C\Cl 78916155 573563838 /nfs/dbraw/zinc/56/38/38/573563838.db2.gz FIKDRSSZQXZDHK-CCAGOZQPSA-N 0 0 167.035 2.508 10 0 AFAERN CC1(CC(=O)COC(C)(C)C)CCC1 308623158 573563916 /nfs/dbraw/zinc/56/39/16/573563916.db2.gz XWAZUJCFJOWVPU-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN CC(=O)C[C@@H](C(C)C)C1CC1 107398740 573563949 /nfs/dbraw/zinc/56/39/49/573563949.db2.gz ONXWENNZWDMISC-JTQLQIEISA-N 0 0 154.253 2.648 10 0 AFAERN CCCCC[C@@H](NN)C1(C)CCCC1 130374857 573564151 /nfs/dbraw/zinc/56/41/51/573564151.db2.gz AGVHNKQTFHEEBZ-LLVKDONJSA-N 0 0 198.354 2.979 10 0 AFAERN CC(C)Nc1ccc2c(c1)CCCN2 86678627 573564161 /nfs/dbraw/zinc/56/41/61/573564161.db2.gz LKXBQZCSAUPSAV-UHFFFAOYSA-N 0 0 190.290 2.865 10 0 AFAERN Cc1cccc2c(Cl)c(C=O)[nH]c12 82387736 573564200 /nfs/dbraw/zinc/56/42/00/573564200.db2.gz KCZYNUPJSAQOOS-UHFFFAOYSA-N 0 0 193.633 2.942 10 0 AFAERN CC[C@H](C)Nc1ccc(F)c(N)c1 86678479 573564324 /nfs/dbraw/zinc/56/43/24/573564324.db2.gz NWFAZPPFKFPZMV-ZETCQYMHSA-N 0 0 182.242 2.618 10 0 AFAERN CCC(CC)CCNc1cnccn1 308621959 573564568 /nfs/dbraw/zinc/56/45/68/573564568.db2.gz UHMMJZRPMZSQFG-UHFFFAOYSA-N 0 0 193.294 2.715 10 0 AFAERN C[C@]12CC=C[C@@H](O)[C@@H]1CCCC2 238432557 573564519 /nfs/dbraw/zinc/56/45/19/573564519.db2.gz KMERHPRGYJSDKG-AXFHLTTASA-N 0 0 166.264 2.504 10 0 AFAERN O=Cc1cc(Cl)cc2cnsc12 211911240 573564573 /nfs/dbraw/zinc/56/45/73/573564573.db2.gz YIRLLCALTMMPOC-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN C[C@H]1C=CC(C)(C)C(=O)CC1 238432359 573564659 /nfs/dbraw/zinc/56/46/59/573564659.db2.gz LWBXPJSUDKGZRI-MRVPVSSYSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@H]1CCC(C)(C)[C@@H]1C 238432231 573564671 /nfs/dbraw/zinc/56/46/71/573564671.db2.gz JUPRFNKIJFUYQP-APPZFPTMSA-N 0 0 154.253 2.648 10 0 AFAERN OCCc1ccc(C2CC2)c(Cl)c1 258061908 573564762 /nfs/dbraw/zinc/56/47/62/573564762.db2.gz LNKJXEJVGKLRCZ-UHFFFAOYSA-N 0 0 196.677 2.752 10 0 AFAERN CCCc1cc(C(C)=O)nn1C(C)C 257831578 573564792 /nfs/dbraw/zinc/56/47/92/573564792.db2.gz JMBWTVSAJJGUTI-UHFFFAOYSA-N 0 0 194.278 2.619 10 0 AFAERN C[C@H](O)/C=C/C=C=C1CCCCC1 238432383 573564826 /nfs/dbraw/zinc/56/48/26/573564826.db2.gz NOUWBERFJIOWIB-ZRQQLDRUSA-N 0 0 178.275 2.969 10 0 AFAERN C/C=C(\C)[C@@H](OC)[C@@H](C)/C=C(/C)CO 308622836 573564848 /nfs/dbraw/zinc/56/48/48/573564848.db2.gz HEVNUWWWORREQN-ZNBPLWSSSA-N 0 0 198.306 2.542 10 0 AFAERN CC(C)[C@@H]1CCC[C@](C)(O)C1 145218740 573564925 /nfs/dbraw/zinc/56/49/25/573564925.db2.gz OINYTRJGGAPVIJ-ZJUUUORDSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1nc(C(F)(F)F)ccc1F 220801683 573565056 /nfs/dbraw/zinc/56/50/56/573565056.db2.gz BJIHJOSXMVEMRW-UHFFFAOYSA-N 0 0 179.116 2.548 10 0 AFAERN O=Cc1sccc1N1CCCCC1 145239549 573565137 /nfs/dbraw/zinc/56/51/37/573565137.db2.gz SPLUGBATDHUEBX-UHFFFAOYSA-N 0 0 195.287 2.551 10 0 AFAERN CCN(C)c1c[nH]c2ccccc12 220799413 573565246 /nfs/dbraw/zinc/56/52/46/573565246.db2.gz WFRMNPUOPKRDPJ-UHFFFAOYSA-N 0 0 174.247 2.624 10 0 AFAERN CO[C@H](C)CC[C@H](O)CC1=CCCC1 400405358 573566769 /nfs/dbraw/zinc/56/67/69/573566769.db2.gz SQEZSRUFLHSANT-PWSUYJOCSA-N 0 0 198.306 2.663 10 0 AFAERN C[C@@H]1C[C@@H](O)c2c(O)ccc(Cl)c21 238432548 573566177 /nfs/dbraw/zinc/56/61/77/573566177.db2.gz YEQMPDICMFNSKH-SVGQVSJJSA-N 0 0 198.649 2.586 10 0 AFAERN C[C@H]1C(=O)CC=C1c1ccccc1 238433152 573566243 /nfs/dbraw/zinc/56/62/43/573566243.db2.gz WIZSHMTWUVVUFO-SECBINFHSA-N 0 0 172.227 2.679 10 0 AFAERN CC(C)=CCC/C=C/[C@H](C)O 238432598 573566282 /nfs/dbraw/zinc/56/62/82/573566282.db2.gz FYTMTVLIKCRHTJ-PCGIRMHASA-N 0 0 154.253 2.670 10 0 AFAERN C[C@@H]1CCC(=O)CC2=C1CCC2 238433014 573566358 /nfs/dbraw/zinc/56/63/58/573566358.db2.gz XCCRAKBYLIGYFG-MRVPVSSYSA-N 0 0 164.248 2.856 10 0 AFAERN Cl/C=C\COC/C=C/Cl 78916161 573566366 /nfs/dbraw/zinc/56/63/66/573566366.db2.gz FIKDRSSZQXZDHK-HSFFGMMNSA-N 0 0 167.035 2.508 10 0 AFAERN CC(C)=C(C)C/C=C/[C@H](C)O 238432518 573566444 /nfs/dbraw/zinc/56/64/44/573566444.db2.gz GFSJLBPGBZKRKI-STUBTGCMSA-N 0 0 154.253 2.670 10 0 AFAERN Clc1cc(C2CC2)sn1 107400553 573566475 /nfs/dbraw/zinc/56/64/75/573566475.db2.gz VAIFMTGGPUWMTG-UHFFFAOYSA-N 0 0 159.641 2.674 10 0 AFAERN CCc1ccc(-c2ccno2)s1 83618019 573566885 /nfs/dbraw/zinc/56/68/85/573566885.db2.gz OYMXJRBLLUTBGS-UHFFFAOYSA-N 0 0 179.244 2.966 10 0 AFAERN CC(C)c1cc(Cl)ns1 107400852 573566943 /nfs/dbraw/zinc/56/69/43/573566943.db2.gz CJUVOEASVOENCQ-UHFFFAOYSA-N 0 0 161.657 2.920 10 0 AFAERN CO[C@H](C)CC[C@@H](O)CC1=CCCC1 400405359 573566995 /nfs/dbraw/zinc/56/69/95/573566995.db2.gz SQEZSRUFLHSANT-ZYHUDNBSSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)[C@@H]1CCC[C@@](C)(O)C1 145218354 573566998 /nfs/dbraw/zinc/56/69/98/573566998.db2.gz OINYTRJGGAPVIJ-NXEZZACHSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc(Cl)ccc1[C@]1(O)C[C@@H]1C 235618653 573567044 /nfs/dbraw/zinc/56/70/44/573567044.db2.gz RGZVJYXGTQFATF-KWQFWETISA-N 0 0 196.677 2.876 10 0 AFAERN COC(=O)N[C@H]1CC(C)(C)CC[C@@H]1C 717485159 573567069 /nfs/dbraw/zinc/56/70/69/573567069.db2.gz ISJSRWFVKZSYHW-IUCAKERBSA-N 0 0 199.294 2.557 10 0 AFAERN CC(C)=C=C1[C@@H]([C@@H](C)O)C1(C)C 238432589 573568134 /nfs/dbraw/zinc/56/81/34/573568134.db2.gz VWMJAMDGLLXQET-PSASIEDQSA-N 0 0 166.264 2.515 10 0 AFAERN CC(=O)[C@H]1[C@@H]([Si](C)(C)C)[C@@H]1C 238432474 573567843 /nfs/dbraw/zinc/56/78/43/573567843.db2.gz DHIGWUPPCGRVII-YEPSODPASA-N 0 0 170.328 2.550 10 0 AFAERN COC(=O)N[C@@H]1CC(C)(C)CC[C@H]1C 717485162 573567935 /nfs/dbraw/zinc/56/79/35/573567935.db2.gz ISJSRWFVKZSYHW-RKDXNWHRSA-N 0 0 199.294 2.557 10 0 AFAERN C[C@@H]1C[C@@H](O)c2ccc(Cl)cc21 238432621 573568011 /nfs/dbraw/zinc/56/80/11/573568011.db2.gz YTPVKEDOYUCOQQ-LHLIQPBNSA-N 0 0 182.650 2.881 10 0 AFAERN CC(=O)[C@H]1CCC=C(C)[C@@H]1C 238432313 573568034 /nfs/dbraw/zinc/56/80/34/573568034.db2.gz SSFHZBXBBDFQEB-WPRPVWTQSA-N 0 0 152.237 2.568 10 0 AFAERN CC(C)=CCCC(=O)C(F)F 145218998 573568072 /nfs/dbraw/zinc/56/80/72/573568072.db2.gz WTZMZMNUBNMZEO-UHFFFAOYSA-N 0 0 162.179 2.567 10 0 AFAERN CC[C@@H](O)CC[C@H](C)CCC(C)=O 238270622 573568076 /nfs/dbraw/zinc/56/80/76/573568076.db2.gz JMGVHUYOZWRJKU-MWLCHTKSSA-N 0 0 186.295 2.543 10 0 AFAERN C[C@@H](/C=C\Oc1ccccc1)[C@@H](C)O 308625836 573568086 /nfs/dbraw/zinc/56/80/86/573568086.db2.gz LGDBRVPVZXSIDG-DOSOYNOZSA-N 0 0 192.258 2.596 10 0 AFAERN C[C@@H]1CC[C@@H]2C(=O)CC[C@@]23C[C@@]13C 238444442 573569089 /nfs/dbraw/zinc/56/90/89/573569089.db2.gz MQTMQMDMQVZWPD-PKZYVASSSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@@H]1CCC(=O)C[C@@H]2CCC[C@@H]21 238433402 573569143 /nfs/dbraw/zinc/56/91/43/573569143.db2.gz OTXUYPOXLOSTJO-WCABBAIRSA-N 0 0 166.264 2.792 10 0 AFAERN O=Cc1cc2c(F)cc(F)cc2s1 75426523 573569185 /nfs/dbraw/zinc/56/91/85/573569185.db2.gz GRSWUNOFKPUSTA-UHFFFAOYSA-N 0 0 198.193 2.992 10 0 AFAERN CCC=C(Cl)Cl 95831534 573569269 /nfs/dbraw/zinc/56/92/69/573569269.db2.gz UAZUEJTXWAXSMA-UHFFFAOYSA-N 0 0 124.998 2.715 10 0 AFAERN C[C@@H](/C=C/Oc1ccccc1)[C@@H](C)O 308625835 573569273 /nfs/dbraw/zinc/56/92/73/573569273.db2.gz LGDBRVPVZXSIDG-CJUJNCCTSA-N 0 0 192.258 2.596 10 0 AFAERN CC(=O)C[C@H](C)CCCC/C=C\CO 308623791 573569311 /nfs/dbraw/zinc/56/93/11/573569311.db2.gz IIZXSSVGOYSXBB-JPVGGKMYSA-N 0 0 198.306 2.711 10 0 AFAERN C[C@H]1c2ccccc2C=CC[C@@H]1O 238443986 573569328 /nfs/dbraw/zinc/56/93/28/573569328.db2.gz NMJKDXOWVOCRFR-CABZTGNLSA-N 0 0 174.243 2.568 10 0 AFAERN C[C@H]1CC[C@H](O)C=C1c1ccccc1 238444231 573569419 /nfs/dbraw/zinc/56/94/19/573569419.db2.gz NGPNFROQMKOSCW-JQWIXIFHSA-N 0 0 188.270 2.861 10 0 AFAERN C[C@H](CCO)CC1=CCCC1 238433542 573569425 /nfs/dbraw/zinc/56/94/25/573569425.db2.gz CVEVCYPEPPGUAB-SECBINFHSA-N 0 0 154.253 2.505 10 0 AFAERN Cc1ccc(C2(Cl)COC2)c(C)c1 258783217 573572647 /nfs/dbraw/zinc/57/26/47/573572647.db2.gz UYUCWBIXLLUXJZ-UHFFFAOYSA-N 0 0 196.677 2.768 10 0 AFAERN C=C=C1CCC[C@@]12CCC(=O)[C@@H]2C 238433647 573572674 /nfs/dbraw/zinc/57/26/74/573572674.db2.gz PNDKIPWNBJUVSL-CABZTGNLSA-N 0 0 176.259 2.867 10 0 AFAERN O=Cc1cc(Cc2ccccc2)co1 75424304 573570492 /nfs/dbraw/zinc/57/04/92/573570492.db2.gz KEXIUNXGSUAMNN-UHFFFAOYSA-N 0 0 186.210 2.683 10 0 AFAERN CCOc1ccc(-c2ccno2)cc1 83618022 573570505 /nfs/dbraw/zinc/57/05/05/573570505.db2.gz QLYFXOANDBIPDW-UHFFFAOYSA-N 0 0 189.214 2.740 10 0 AFAERN Cc1c(C=O)[nH]c2c(F)cc(F)cc12 257831819 573570522 /nfs/dbraw/zinc/57/05/22/573570522.db2.gz JNBBZXOKTVOEOR-UHFFFAOYSA-N 0 0 195.168 2.567 10 0 AFAERN C[C@H](CCO)C1=CCCC1(C)C 238433354 573570552 /nfs/dbraw/zinc/57/05/52/573570552.db2.gz LNDOEXXPNATMAZ-SECBINFHSA-N 0 0 168.280 2.751 10 0 AFAERN CCCc1nnc(C2(CCC)CC2)[nH]1 393667026 573570565 /nfs/dbraw/zinc/57/05/65/573570565.db2.gz CYAIQYKJSYPQOP-UHFFFAOYSA-N 0 0 193.294 2.589 10 0 AFAERN Cc1ccc([C@@H]2CCC(=O)[C@@H]2C)o1 238444432 573570598 /nfs/dbraw/zinc/57/05/98/573570598.db2.gz XZLJQVFYAFJNPG-RKDXNWHRSA-N 0 0 178.231 2.671 10 0 AFAERN C[C@@H]1[C@@H](O)CCC12CCCCC2 238444102 573570689 /nfs/dbraw/zinc/57/06/89/573570689.db2.gz OKDQNQIRAUBDNZ-ZJUUUORDSA-N 0 0 168.280 2.728 10 0 AFAERN CC1=C(C)C[C@H]([C@@H](C)O)CC1 238433356 573572696 /nfs/dbraw/zinc/57/26/96/573572696.db2.gz ZDRSSORBBWIDMW-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H]1C(=O)CC=Cc2ccccc21 238433163 573570795 /nfs/dbraw/zinc/57/07/95/573570795.db2.gz KULRKZMJZMVEJO-SECBINFHSA-N 0 0 172.227 2.776 10 0 AFAERN Cc1[nH]c(Cl)nc1-c1ccco1 258780280 573570837 /nfs/dbraw/zinc/57/08/37/573570837.db2.gz UVUFIFHOGIJCSF-UHFFFAOYSA-N 0 0 182.610 2.632 10 0 AFAERN COc1c(C=O)cc(C)c2occc12 75428012 573570923 /nfs/dbraw/zinc/57/09/23/573570923.db2.gz AAQXRMMLIQONFM-UHFFFAOYSA-N 0 0 190.198 2.562 10 0 AFAERN COc1c(C)cc2c(c1C)OCC2=O 238444372 573571080 /nfs/dbraw/zinc/57/10/80/573571080.db2.gz FXUVZYPGRDXYKR-UHFFFAOYSA-N 0 0 192.214 2.764 10 0 AFAERN C[C@@]12CC[C@@H](C(=O)C1)C1=C2CCC1 238444358 573571088 /nfs/dbraw/zinc/57/10/88/573571088.db2.gz XTWUOZRBMJHEEK-BXKDBHETSA-N 0 0 176.259 2.856 10 0 AFAERN Cc1cc2occc2c(C)c1C=O 75428000 573571121 /nfs/dbraw/zinc/57/11/21/573571121.db2.gz PENSSPDMFXEDOE-UHFFFAOYSA-N 0 0 174.199 2.862 10 0 AFAERN C[C@H](O)c1ccoc1C[Si](C)(C)C 238444023 573571123 /nfs/dbraw/zinc/57/11/23/573571123.db2.gz YPHFUAPAMJTZTL-QMMMGPOBSA-N 0 0 198.338 2.753 10 0 AFAERN CC(=O)[C@H](C)[C@H](C)C=C(C)C 238433736 573571179 /nfs/dbraw/zinc/57/11/79/573571179.db2.gz FPJPMBQGIDDOCQ-RKDXNWHRSA-N 0 0 154.253 2.814 10 0 AFAERN C[C@H]1C[C@H](O)Nc2cc(Cl)ccc21 238444126 573571206 /nfs/dbraw/zinc/57/12/06/573571206.db2.gz XBFBEUUIVBAWJX-WKEGUHRASA-N 0 0 197.665 2.578 10 0 AFAERN CCCC1CN(c2cccc(N)c2)C1 86687470 573571227 /nfs/dbraw/zinc/57/12/27/573571227.db2.gz LNCDBAAXUHXXSM-UHFFFAOYSA-N 0 0 190.290 2.505 10 0 AFAERN O=Cc1csc2cc(F)ccc12 75426398 573571300 /nfs/dbraw/zinc/57/13/00/573571300.db2.gz MVQSSEUHVJRWHH-UHFFFAOYSA-N 0 0 180.203 2.853 10 0 AFAERN Cc1cc2c(s1)C(=O)CCC2 107403058 573571309 /nfs/dbraw/zinc/57/13/09/573571309.db2.gz BTROAUINGXNTMW-UHFFFAOYSA-N 0 0 166.245 2.576 10 0 AFAERN CCN(CC)c1c(C)ccc(N)c1C 86687764 573571330 /nfs/dbraw/zinc/57/13/30/573571330.db2.gz ZXDAWYPROJVKRX-UHFFFAOYSA-N 0 0 192.306 2.732 10 0 AFAERN C[C@H]1CCC2(CCCCC2)[C@@H]1O 197056846 573571349 /nfs/dbraw/zinc/57/13/49/573571349.db2.gz MUNPIPPAEJFQIA-VHSXEESVSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cc(C[C@@H](C)[C@@H](C)O)c(C)s1 238444157 573571470 /nfs/dbraw/zinc/57/14/70/573571470.db2.gz JKGYVYPAUPUNRL-VXNVDRBHSA-N 0 0 198.331 2.924 10 0 AFAERN COC(=O)[C@@H]1C(C)(C)C12CCCCC2 259515173 573571508 /nfs/dbraw/zinc/57/15/08/573571508.db2.gz CLJYBDZHVOFPQP-SECBINFHSA-N 0 0 196.290 2.766 10 0 AFAERN CC(=O)CNc1cccc(Cl)c1C 258783025 573571586 /nfs/dbraw/zinc/57/15/86/573571586.db2.gz ZZTOGNALIOZXFN-UHFFFAOYSA-N 0 0 197.665 2.649 10 0 AFAERN OCC/C=C/C=C\Cc1ccccc1 308634433 573571627 /nfs/dbraw/zinc/57/16/27/573571627.db2.gz XIVRIEPJXUJCME-MWMWYHAWSA-N 0 0 188.270 2.724 10 0 AFAERN NC(=S)/C=C\c1ccccc1Cl 213343636 573571677 /nfs/dbraw/zinc/57/16/77/573571677.db2.gz NEBCBSZXOPENAV-WAYWQWQTSA-N 0 0 197.690 2.639 10 0 AFAERN C[C@@H]1CCC(=O)C[C@H]2CCC[C@H]12 238433642 573571731 /nfs/dbraw/zinc/57/17/31/573571731.db2.gz OTXUYPOXLOSTJO-FXPVBKGRSA-N 0 0 166.264 2.792 10 0 AFAERN O=Cc1c(Cl)sc2ccncc12 75426642 573571751 /nfs/dbraw/zinc/57/17/51/573571751.db2.gz SQHNPRSLMINJFS-UHFFFAOYSA-N 0 0 197.646 2.762 10 0 AFAERN Clc1cc(-c2nccs2)ccn1 258064597 573571772 /nfs/dbraw/zinc/57/17/72/573571772.db2.gz KYHPXWLPMCJIAX-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN C[C@H]1CCC2(CCCCC2)[C@H]1O 197056861 573571826 /nfs/dbraw/zinc/57/18/26/573571826.db2.gz MUNPIPPAEJFQIA-UWVGGRQHSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@H](O)/C=C/[C@H]1C[C@@H]1c1ccccc1 238433453 573571986 /nfs/dbraw/zinc/57/19/86/573571986.db2.gz NRLUWQLLJDWEHE-FCQPPPINSA-N 0 0 188.270 2.727 10 0 AFAERN C[C@@H]1CCCC(=O)[C@]12C=CCC2 238444143 573572003 /nfs/dbraw/zinc/57/20/03/573572003.db2.gz TTZUVRNBAYYYFJ-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CCCC(=O)N(C)CCCC(C)C 393537511 573572032 /nfs/dbraw/zinc/57/20/32/573572032.db2.gz KLGIZWCAVOMNOY-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN COc1c(O)cc(C)c2ccccc12 238433650 573572034 /nfs/dbraw/zinc/57/20/34/573572034.db2.gz OSNMIRHYUYBWHW-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN C[C@@H]1CCN1c1ccc(Cl)c(N)c1 86687386 573572087 /nfs/dbraw/zinc/57/20/87/573572087.db2.gz AHIDMHKWZJWQFA-SSDOTTSWSA-N 0 0 196.681 2.521 10 0 AFAERN C[C@@H]1CCN1c1cc(Cl)ccc1N 86687581 573572108 /nfs/dbraw/zinc/57/21/08/573572108.db2.gz PQQIYWYZCSWEKP-SSDOTTSWSA-N 0 0 196.681 2.521 10 0 AFAERN CC(F)(F)c1ccc(C=O)s1 257831916 573572116 /nfs/dbraw/zinc/57/21/16/573572116.db2.gz JVECFAVCBIASBT-UHFFFAOYSA-N 0 0 176.187 2.672 10 0 AFAERN C[C@H]1C=CCC[C@]12CCCC2=O 238444294 573572125 /nfs/dbraw/zinc/57/21/25/573572125.db2.gz FKKQJWXDWYJJTM-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@H]1CCN1c1ccc(Cl)c(N)c1 86687388 573572137 /nfs/dbraw/zinc/57/21/37/573572137.db2.gz AHIDMHKWZJWQFA-ZETCQYMHSA-N 0 0 196.681 2.521 10 0 AFAERN O=C1Cc2ccc(Cl)cc2S1 75426199 573572182 /nfs/dbraw/zinc/57/21/82/573572182.db2.gz LQGFVCGHJCWFRC-UHFFFAOYSA-N 0 0 184.647 2.515 10 0 AFAERN CC(C)C(C(C)C)[C@@H](O)C1=COCC1 308634788 573572183 /nfs/dbraw/zinc/57/21/83/573572183.db2.gz AOOJIXZUOKKJGD-LBPRGKRZSA-N 0 0 198.306 2.580 10 0 AFAERN C[C@@H]1[C@@H](O)CCCCC1(C)C 238444206 573572208 /nfs/dbraw/zinc/57/22/08/573572208.db2.gz KLSTVFZYGMEELP-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1CCCC(=O)[C@@H]2CCC[C@H]12 238443962 573572250 /nfs/dbraw/zinc/57/22/50/573572250.db2.gz YZEHUMHQDOVJMH-OPRDCNLKSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CCCc2cc(O)ccc2C1=O 238433492 573572285 /nfs/dbraw/zinc/57/22/85/573572285.db2.gz VMUSXETXRJVFBO-QMMMGPOBSA-N 0 0 190.242 2.547 10 0 AFAERN CCN(CC)c1cc(Cl)ccc1N 86687577 573572336 /nfs/dbraw/zinc/57/23/36/573572336.db2.gz AFEUBUSJZDFFQD-UHFFFAOYSA-N 0 0 198.697 2.768 10 0 AFAERN CC(C)Nc1ccc(Cl)c(N)c1 86687391 573572344 /nfs/dbraw/zinc/57/23/44/573572344.db2.gz UBBRXWUZKXZEQG-UHFFFAOYSA-N 0 0 184.670 2.743 10 0 AFAERN C[C@H](O)/C=C/[C@@H]1C[C@@H]1c1ccccc1 238433258 573572540 /nfs/dbraw/zinc/57/25/40/573572540.db2.gz NRLUWQLLJDWEHE-BSQYEMFYSA-N 0 0 188.270 2.727 10 0 AFAERN C[C@@H]1CC[C@@H]2C(=O)CC[C@@]2(C)C1 238444429 573572632 /nfs/dbraw/zinc/57/26/32/573572632.db2.gz WRBVUBBIGGRNGP-KKZNHRDASA-N 0 0 166.264 2.792 10 0 AFAERN CCC[C@H](C)[C@H]1NC(=O)C1(CC)CC 308636446 573574715 /nfs/dbraw/zinc/57/47/15/573574715.db2.gz BCYZFDLNBPMCMZ-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@H]1CCN1c1ccc(Cl)cc1N 86687461 573573906 /nfs/dbraw/zinc/57/39/06/573573906.db2.gz BQDZHPTWOBZMBY-ZETCQYMHSA-N 0 0 196.681 2.521 10 0 AFAERN COc1ccc(CC(C)(C)C)c(N)c1 257832497 573574013 /nfs/dbraw/zinc/57/40/13/573574013.db2.gz JVVWTYHCUWLLJH-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN CCc1cc(C[C@@H](C)O)c(C)cc1F 258064741 573574110 /nfs/dbraw/zinc/57/41/10/573574110.db2.gz LQQZJGXVBLHRSW-SECBINFHSA-N 0 0 196.265 2.620 10 0 AFAERN C[C@@H]1CCCC(=O)[C@H]2CCC[C@@H]21 238444473 573574282 /nfs/dbraw/zinc/57/42/82/573574282.db2.gz YZEHUMHQDOVJMH-BBBLOLIVSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1O 145293914 573574288 /nfs/dbraw/zinc/57/42/88/573574288.db2.gz DDGAQRSUOKMPFQ-UTLUCORTSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cccc2c1[C@@H](C)CC[C@@H]2O 238445247 573574415 /nfs/dbraw/zinc/57/44/15/573574415.db2.gz RBAZSKMDTAPBQH-ONGXEEELSA-N 0 0 176.259 2.926 10 0 AFAERN COc1cc(=S)[nH]c2ccccc12 238445334 573574444 /nfs/dbraw/zinc/57/44/44/573574444.db2.gz GLGPIYDRSGUCIB-UHFFFAOYSA-N 0 0 191.255 2.906 10 0 AFAERN C[C@H]1CCN1c1ccc(N)cc1Cl 86687353 573574447 /nfs/dbraw/zinc/57/44/47/573574447.db2.gz QAAWGJUVDYJYNW-ZETCQYMHSA-N 0 0 196.681 2.521 10 0 AFAERN C[C@H]1C[C@H](O)c2ccc(F)c(F)c21 235619724 573574522 /nfs/dbraw/zinc/57/45/22/573574522.db2.gz CSXFHDLKSRPBSZ-XNCJUZBTSA-N 0 0 184.185 2.505 10 0 AFAERN C[Si](C)(C)[C@@H](CO)C1CCCC1 238444768 573574525 /nfs/dbraw/zinc/57/45/25/573574525.db2.gz VOLVRCSSYQWNEI-JTQLQIEISA-N 0 0 186.371 2.877 10 0 AFAERN CCC[C@H](C)[C@@H]1NC(=O)C1(CC)CC 308636445 573574621 /nfs/dbraw/zinc/57/46/21/573574621.db2.gz BCYZFDLNBPMCMZ-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@@H](O)c1cncc(-c2ccccc2)c1 259513477 573574622 /nfs/dbraw/zinc/57/46/22/573574622.db2.gz ZQXFAJSQYIEDSH-SNVBAGLBSA-N 0 0 199.253 2.802 10 0 AFAERN C[C@H]1C=CC[C@@]2(C)CCCC(=O)[C@@H]12 238444969 573574657 /nfs/dbraw/zinc/57/46/57/573574657.db2.gz KFKXLNGPZIVILK-WCQGTBRESA-N 0 0 178.275 2.958 10 0 AFAERN CSc1ccc(C(=O)C(C)(C)C)[nH]1 75460399 573576593 /nfs/dbraw/zinc/57/65/93/573576593.db2.gz BUOAAWDGKSCFCP-UHFFFAOYSA-N 0 0 197.303 2.965 10 0 AFAERN C[C@@H]1CC[C@@H]2CC=CC[C@@]2(C)C1=O 238444697 573576597 /nfs/dbraw/zinc/57/65/97/573576597.db2.gz WAOSXIFMPNUFEM-JFGNBEQYSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@H]1CCN1c1cc(N)ccc1Cl 86688138 573575718 /nfs/dbraw/zinc/57/57/18/573575718.db2.gz PRFHCEPGCDGRJK-ZETCQYMHSA-N 0 0 196.681 2.521 10 0 AFAERN CN[C@H](c1ccsc1)C(F)(F)F 78677313 573575925 /nfs/dbraw/zinc/57/59/25/573575925.db2.gz ADRIZIHIKXPLFU-ZCFIWIBFSA-N 0 0 195.209 2.571 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@@]1(C)c1ccccc1 238444798 573575976 /nfs/dbraw/zinc/57/59/76/573575976.db2.gz VFTHENCPBPHVQZ-KGYLQXTDSA-N 0 0 190.286 2.735 10 0 AFAERN COc1c(C)ccc2c1C(=O)CCC2 238444837 573575984 /nfs/dbraw/zinc/57/59/84/573575984.db2.gz IPQRRRSWFHZGTB-UHFFFAOYSA-N 0 0 190.242 2.523 10 0 AFAERN Cc1cc(F)cc([C@H](O)C(C)C)c1 86692725 573576011 /nfs/dbraw/zinc/57/60/11/573576011.db2.gz XINXYUKGHRRDHS-LLVKDONJSA-N 0 0 182.238 2.824 10 0 AFAERN C[C@@H]1CC[C@@H]2CC=C[C@@H](C)[C@@H]2C1=O 238444715 573576018 /nfs/dbraw/zinc/57/60/18/573576018.db2.gz ZDJBDBYRGVXIOH-ZNSHCXBVSA-N 0 0 178.275 2.814 10 0 AFAERN C[C@@H]1CC[C@@H]2C[C@@H](C)[C@@H](O)C=C2C1 238445191 573576069 /nfs/dbraw/zinc/57/60/69/573576069.db2.gz YEMUUGKQGKEGJB-BFLSOPEQSA-N 0 0 180.291 2.750 10 0 AFAERN C[C@@H]1c2ccccc2C(=O)[C@@H]2C[C@H]12 238444952 573576140 /nfs/dbraw/zinc/57/61/40/573576140.db2.gz XBLRBMXDWSSGMU-AVPPRXQKSA-N 0 0 172.227 2.623 10 0 AFAERN Cc1cc(F)cc([C@H]2CCC(=O)C2)c1 86693924 573576174 /nfs/dbraw/zinc/57/61/74/573576174.db2.gz CPBLVZXRXWKMJN-VIFPVBQESA-N 0 0 192.233 2.971 10 0 AFAERN C[C@@H]1C[C@@]12C=CCC(C)(C)C2=O 238444928 573576181 /nfs/dbraw/zinc/57/61/81/573576181.db2.gz ALTSYIFRTOAFSB-KCJUWKMLSA-N 0 0 164.248 2.568 10 0 AFAERN O[C@H]1CC2(CCCCCCC2)CCO1 144364458 573576184 /nfs/dbraw/zinc/57/61/84/573576184.db2.gz RQPVTPLWUYFVLP-LLVKDONJSA-N 0 0 198.306 2.846 10 0 AFAERN C[C@@H]1C(=O)C[C@@H]1C[Si](C)(C)C 238445331 573576194 /nfs/dbraw/zinc/57/61/94/573576194.db2.gz XDFBDZASVTXFQQ-JGVFFNPUSA-N 0 0 170.328 2.550 10 0 AFAERN C[C@@H]1CCCC(=O)[C@@]12C=CCC2 238444649 573576236 /nfs/dbraw/zinc/57/62/36/573576236.db2.gz TTZUVRNBAYYYFJ-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1CCN1c1cc(N)ccc1Cl 86688135 573576275 /nfs/dbraw/zinc/57/62/75/573576275.db2.gz PRFHCEPGCDGRJK-SSDOTTSWSA-N 0 0 196.681 2.521 10 0 AFAERN C[C@H]1CC[C@H](C(C)(C)C)C[C@@H]1O 145294118 573576336 /nfs/dbraw/zinc/57/63/36/573576336.db2.gz DDGAQRSUOKMPFQ-GUBZILKMSA-N 0 0 170.296 2.830 10 0 AFAERN O=C(CC1CCC1)c1ccc(F)cn1 86704350 573576403 /nfs/dbraw/zinc/57/64/03/573576403.db2.gz JJPUWPXYSGSKLA-UHFFFAOYSA-N 0 0 193.221 2.594 10 0 AFAERN Cc1cc(F)cc([C@H](O)[C@H]2C[C@@H]2C)c1 86693203 573576373 /nfs/dbraw/zinc/57/63/73/573576373.db2.gz JWHDJFXVTWNSOH-UWJYBYFXSA-N 0 0 194.249 2.824 10 0 AFAERN Cc1cc(F)cc([C@@H]2CCC(=O)C2)c1 86693922 573576384 /nfs/dbraw/zinc/57/63/84/573576384.db2.gz CPBLVZXRXWKMJN-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN CCC[C@@H](CC)Nc1ccc(=O)[nH]c1 308636886 573576427 /nfs/dbraw/zinc/57/64/27/573576427.db2.gz BHRMTOHLFGEIIY-SECBINFHSA-N 0 0 194.278 2.778 10 0 AFAERN C[C@H](O)C[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C 144370936 573576528 /nfs/dbraw/zinc/57/65/28/573576528.db2.gz CWNPRFFBKVXNOV-ZRUFSTJUSA-N 0 0 182.307 2.830 10 0 AFAERN C[C@@H]1C[C@@]12CCCCCC2=O 238445022 573577792 /nfs/dbraw/zinc/57/77/92/573577792.db2.gz BNZRKIJHAXMBOM-SCZZXKLOSA-N 0 0 152.237 2.546 10 0 AFAERN CCC[C@@H](C)[C@@H]1NC(=O)C1(CC)CC 308636447 573577804 /nfs/dbraw/zinc/57/78/04/573577804.db2.gz BCYZFDLNBPMCMZ-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1cc(N)c(NC(C)C)cc1C 86688229 573577700 /nfs/dbraw/zinc/57/77/00/573577700.db2.gz UGLZBZCJPDWBGT-UHFFFAOYSA-N 0 0 178.279 2.706 10 0 AFAERN CCc1ccc(NC(C)C)cc1N 86688012 573577932 /nfs/dbraw/zinc/57/79/32/573577932.db2.gz NLSRHCMJRWEXHM-UHFFFAOYSA-N 0 0 178.279 2.652 10 0 AFAERN C(=C/c1ccsn1)\c1cc[nH]c1 144326346 573577952 /nfs/dbraw/zinc/57/79/52/573577952.db2.gz GOMPQTMTUKXXGM-OWOJBTEDSA-N 0 0 176.244 2.642 10 0 AFAERN CN[C@@H](c1ccsc1)C(F)(F)F 78677309 573578000 /nfs/dbraw/zinc/57/80/00/573578000.db2.gz ADRIZIHIKXPLFU-LURJTMIESA-N 0 0 195.209 2.571 10 0 AFAERN CCN(CC)c1cc(C)c(C)cc1N 86688221 573578081 /nfs/dbraw/zinc/57/80/81/573578081.db2.gz XEXYCBVZZCPYHI-UHFFFAOYSA-N 0 0 192.306 2.732 10 0 AFAERN O[C@@H]1CC2(CCCCCCC2)CCO1 144364242 573578109 /nfs/dbraw/zinc/57/81/09/573578109.db2.gz RQPVTPLWUYFVLP-NSHDSACASA-N 0 0 198.306 2.846 10 0 AFAERN Cc1cc(F)cc(C2=C[C@@H](O)CC2)c1 86694216 573578159 /nfs/dbraw/zinc/57/81/59/573578159.db2.gz MYGGRRVFCWYOLM-LBPRGKRZSA-N 0 0 192.233 2.672 10 0 AFAERN CC(C)[C@H](O)C1CCC(F)(F)CC1 144418445 573578237 /nfs/dbraw/zinc/57/82/37/573578237.db2.gz LPJFLFABFQLQHS-VIFPVBQESA-N 0 0 192.249 2.829 10 0 AFAERN CCCNc1nc(C(C)(C)C)ns1 83646567 573578254 /nfs/dbraw/zinc/57/82/54/573578254.db2.gz QLTDTHGKZAXHIS-UHFFFAOYSA-N 0 0 199.323 2.658 10 0 AFAERN Cc1cc(F)cc([C@H]2CC[C@@H](O)C2)c1 86694149 573578261 /nfs/dbraw/zinc/57/82/61/573578261.db2.gz LLAOPYBGMSRCOX-JOYOIKCWSA-N 0 0 194.249 2.763 10 0 AFAERN CCC[C@H](CC)Nc1ccc(=O)[nH]c1 308636887 573578310 /nfs/dbraw/zinc/57/83/10/573578310.db2.gz BHRMTOHLFGEIIY-VIFPVBQESA-N 0 0 194.278 2.778 10 0 AFAERN CCCNc1nc(C2CCC2)ns1 83646523 573578324 /nfs/dbraw/zinc/57/83/24/573578324.db2.gz IHVCSOCUQGKWDC-UHFFFAOYSA-N 0 0 197.307 2.628 10 0 AFAERN Cc1cc(F)cc(C(=O)[C@@H]2C[C@@H]2C)c1 86693056 573578327 /nfs/dbraw/zinc/57/83/27/573578327.db2.gz PLSZHQQXIDHSAW-GZMMTYOYSA-N 0 0 192.233 2.973 10 0 AFAERN CCC(C)(C)C[C@@H]1CSC[C@@H]1O 642832964 573578480 /nfs/dbraw/zinc/57/84/80/573578480.db2.gz ITWFUKKUESEFFJ-BDAKNGLRSA-N 0 0 188.336 2.537 10 0 AFAERN CCC1(CC)CCCNC1=S 144426257 573578498 /nfs/dbraw/zinc/57/84/98/573578498.db2.gz IEUMRLYQBNDBHG-UHFFFAOYSA-N 0 0 171.309 2.504 10 0 AFAERN c1nsc(NCC2CCCCC2)n1 83652831 573578525 /nfs/dbraw/zinc/57/85/25/573578525.db2.gz YNFVWASVFDSSLG-UHFFFAOYSA-N 0 0 197.307 2.530 10 0 AFAERN Cc1cc(F)cc([C@@H]2CC[C@@H](O)C2)c1 86694147 573578566 /nfs/dbraw/zinc/57/85/66/573578566.db2.gz LLAOPYBGMSRCOX-BXKDBHETSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1cc(F)cc([C@H](O)C2CCC2)c1 86693130 573579865 /nfs/dbraw/zinc/57/98/65/573579865.db2.gz KAJJSRLSOKOHBY-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN C/C=C\c1cc(C)cc(C)n1 220844445 573578640 /nfs/dbraw/zinc/57/86/40/573578640.db2.gz CGSIGQPVXJBUGC-PLNGDYQASA-N 0 0 147.221 2.732 10 0 AFAERN Cc1cc(F)cc([C@@H]2CC[C@H](O)C2)c1 86694143 573578659 /nfs/dbraw/zinc/57/86/59/573578659.db2.gz LLAOPYBGMSRCOX-SKDRFNHKSA-N 0 0 194.249 2.763 10 0 AFAERN C[C@]1(CF)Nc2ccccc2S1 144323887 573578681 /nfs/dbraw/zinc/57/86/81/573578681.db2.gz XMUSKDDJSOEAAH-VIFPVBQESA-N 0 0 183.251 2.890 10 0 AFAERN CC[C@H](C)c1nsc(NC2CC2)n1 83646859 573578831 /nfs/dbraw/zinc/57/88/31/573578831.db2.gz NQDWDUKNZCUBFC-LURJTMIESA-N 0 0 197.307 2.626 10 0 AFAERN CCCc1nsc(NC(C)(C)C)n1 83646965 573578842 /nfs/dbraw/zinc/57/88/42/573578842.db2.gz ICCYVGGPMIOPEH-UHFFFAOYSA-N 0 0 199.323 2.701 10 0 AFAERN C[C@H]1CCCC[C@@H]1Nc1ncns1 83652372 573578863 /nfs/dbraw/zinc/57/88/63/573578863.db2.gz QTTOLHAKDFTOGA-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN Nc1csc2ccsc12 75465474 573578894 /nfs/dbraw/zinc/57/88/94/573578894.db2.gz LHDZPGVPQALRMK-UHFFFAOYSA-N 0 0 155.247 2.545 10 0 AFAERN Cc1cc(F)cc(C(=O)[C@H]2C[C@H]2C)c1 86693062 573578961 /nfs/dbraw/zinc/57/89/61/573578961.db2.gz PLSZHQQXIDHSAW-KCJUWKMLSA-N 0 0 192.233 2.973 10 0 AFAERN Cc1ccc(Oc2cn[nH]c2)s1 258795874 573578963 /nfs/dbraw/zinc/57/89/63/573578963.db2.gz XVPNWKCYQRXXLB-UHFFFAOYSA-N 0 0 180.232 2.572 10 0 AFAERN Cc1cc(F)cc([C@H]2CC[C@H](O)C2)c1 86694145 573579882 /nfs/dbraw/zinc/57/98/82/573579882.db2.gz LLAOPYBGMSRCOX-CABZTGNLSA-N 0 0 194.249 2.763 10 0 AFAERN Cc1c(F)cc(F)c2c1C(=O)CCC2 78676940 573578995 /nfs/dbraw/zinc/57/89/95/573578995.db2.gz ZPIVIOHYRFKYJE-UHFFFAOYSA-N 0 0 196.196 2.792 10 0 AFAERN Cc1cc(F)cc([C@H](O)[C@@H]2C[C@@H]2C)c1 86693199 573579025 /nfs/dbraw/zinc/57/90/25/573579025.db2.gz JWHDJFXVTWNSOH-AXTRIDKLSA-N 0 0 194.249 2.824 10 0 AFAERN CC(C)c1onc2cc(C=O)ccc12 257833054 573579062 /nfs/dbraw/zinc/57/90/62/573579062.db2.gz JYHXVAFFBALEHE-UHFFFAOYSA-N 0 0 189.214 2.764 10 0 AFAERN Cc1cc(F)cc([C@@H](O)C2CCC2)c1 86693131 573579080 /nfs/dbraw/zinc/57/90/80/573579080.db2.gz KAJJSRLSOKOHBY-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN CSCC(=O)c1cc(C)cc(F)c1 86692986 573579087 /nfs/dbraw/zinc/57/90/87/573579087.db2.gz LEQGYUMVINYSDZ-UHFFFAOYSA-N 0 0 198.262 2.680 10 0 AFAERN C/C=C\CNc1ccc(OC)cc1C 308401046 573579101 /nfs/dbraw/zinc/57/91/01/573579101.db2.gz NZAZOSIIDXHQGQ-PLNGDYQASA-N 0 0 191.274 2.992 10 0 AFAERN CC(/C=C/c1ccc(C)cc1)=C\CO 308636630 573579117 /nfs/dbraw/zinc/57/91/17/573579117.db2.gz ZEVYZHCHCPIRSF-LRELXJSQSA-N 0 0 188.270 2.947 10 0 AFAERN CCC(=C=Cc1ccccc1)CO 144338105 573579170 /nfs/dbraw/zinc/57/91/70/573579170.db2.gz QUOLLCLDALCKFN-UHFFFAOYSA-N 0 0 174.243 2.627 10 0 AFAERN Cc1cc(C)c2c(C)noc2c1 60084113 573579172 /nfs/dbraw/zinc/57/91/72/573579172.db2.gz MQNLOSUZXRWPIB-UHFFFAOYSA-N 0 0 161.204 2.753 10 0 AFAERN Cc1cc(F)cc(C(=O)[C@H]2C[C@@H]2C)c1 86693058 573579296 /nfs/dbraw/zinc/57/92/96/573579296.db2.gz PLSZHQQXIDHSAW-KWQFWETISA-N 0 0 192.233 2.973 10 0 AFAERN C[C@@H]1C[C@@H]2C[C@@]1(C)C(C)(C)C2=O 238440958 573579522 /nfs/dbraw/zinc/57/95/22/573579522.db2.gz DQVDRJOXOUYJHC-SOCHQFKDSA-N 0 0 166.264 2.648 10 0 AFAERN CCC[C@@H](C)[C@H]1NC(=O)C1(CC)CC 308636444 573579543 /nfs/dbraw/zinc/57/95/43/573579543.db2.gz BCYZFDLNBPMCMZ-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN Nc1ccc(Cl)cc1CC1CC1 257833008 573579633 /nfs/dbraw/zinc/57/96/33/573579633.db2.gz KGTYGAILJTYNFL-UHFFFAOYSA-N 0 0 181.666 2.875 10 0 AFAERN CNc1nc(CC(C)C)c(C)s1 258792257 573579822 /nfs/dbraw/zinc/57/98/22/573579822.db2.gz MPUPZIONNKXACU-UHFFFAOYSA-N 0 0 184.308 2.692 10 0 AFAERN Cc1ccc(N)c([C@@H](O)C(C)(C)C)c1 257833012 573579834 /nfs/dbraw/zinc/57/98/34/573579834.db2.gz JWSQAPLDKOYWJR-LLVKDONJSA-N 0 0 193.290 2.657 10 0 AFAERN O=C(c1ccc(F)cn1)C1CCCC1 86704584 573579922 /nfs/dbraw/zinc/57/99/22/573579922.db2.gz OOSWZIFBLTWFRG-UHFFFAOYSA-N 0 0 193.221 2.594 10 0 AFAERN C[C@H]1CCCC[C@H]1Nc1ncns1 83652376 573579974 /nfs/dbraw/zinc/57/99/74/573579974.db2.gz QTTOLHAKDFTOGA-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@H]1C=CC[C@]12CCCCC2=O 238445589 573580031 /nfs/dbraw/zinc/58/00/31/573580031.db2.gz LIYBNLMHXAPJAS-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN C[Si](C)(C)[C@@H](O)c1cccs1 238445486 573580042 /nfs/dbraw/zinc/58/00/42/573580042.db2.gz DPVYZYNXZQNQCA-MRVPVSSYSA-N 0 0 186.352 2.659 10 0 AFAERN C[C@H]1CCC[C@H](Nc2ncns2)C1 83652763 573580061 /nfs/dbraw/zinc/58/00/61/573580061.db2.gz OLYSUTAOGSHANS-YUMQZZPRSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCCC[C@@H]1Nc1ncns1 83652369 573580118 /nfs/dbraw/zinc/58/01/18/573580118.db2.gz QTTOLHAKDFTOGA-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1ccc([C@@H]2CCC(=O)[C@H]2C)o1 238440953 573580121 /nfs/dbraw/zinc/58/01/21/573580121.db2.gz XZLJQVFYAFJNPG-DTWKUNHWSA-N 0 0 178.231 2.671 10 0 AFAERN C[C@@H]1CCC[C@@H](Nc2ncns2)C1 83652768 573580152 /nfs/dbraw/zinc/58/01/52/573580152.db2.gz OLYSUTAOGSHANS-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@H](C)c1nsc(NC(C)C)n1 83646708 573580175 /nfs/dbraw/zinc/58/01/75/573580175.db2.gz RDQPOANNOTYHEL-ZETCQYMHSA-N 0 0 199.323 2.872 10 0 AFAERN CNc1ncc(CC2CCCC2)s1 258795020 573580256 /nfs/dbraw/zinc/58/02/56/573580256.db2.gz MVFMNUKDMXZNFT-UHFFFAOYSA-N 0 0 196.319 2.918 10 0 AFAERN FC1=Cc2ccccc2CC1 95922995 573580276 /nfs/dbraw/zinc/58/02/76/573580276.db2.gz RKYVANDSHJQYMB-UHFFFAOYSA-N 0 0 148.180 2.943 10 0 AFAERN CC1=C(C)[C@@](C)([C@@H](C)O)CC1 238441529 573580360 /nfs/dbraw/zinc/58/03/60/573580360.db2.gz AGZCYVWOJJVQAT-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN C=Cc1ccc2c(c1)NCCC2 144332140 573580419 /nfs/dbraw/zinc/58/04/19/573580419.db2.gz VMJMVCFMVHTGTN-UHFFFAOYSA-N 0 0 159.232 2.688 10 0 AFAERN CC(=C=Cc1ccccc1C)CO 144338302 573580460 /nfs/dbraw/zinc/58/04/60/573580460.db2.gz LQRGUWCOQDBNIP-UHFFFAOYSA-N 0 0 174.243 2.546 10 0 AFAERN Cc1cc(F)cc([C@@H](O)C2CC2)c1 86692746 573580462 /nfs/dbraw/zinc/58/04/62/573580462.db2.gz LGMZQAFIDQYFCR-NSHDSACASA-N 0 0 180.222 2.578 10 0 AFAERN CC1=C(C)[C@H](C)[C@H](C)C(=O)C1 238441254 573580488 /nfs/dbraw/zinc/58/04/88/573580488.db2.gz BRENVDJRYXJNGL-IUCAKERBSA-N 0 0 152.237 2.568 10 0 AFAERN CC(C)[C@@H](O)C1CCC(F)(F)CC1 144418015 573580524 /nfs/dbraw/zinc/58/05/24/573580524.db2.gz LPJFLFABFQLQHS-SECBINFHSA-N 0 0 192.249 2.829 10 0 AFAERN C[C@H]1CCC[C@@H](Nc2ncns2)C1 83652771 573580535 /nfs/dbraw/zinc/58/05/35/573580535.db2.gz OLYSUTAOGSHANS-JGVFFNPUSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1cccc2c1CC[C@H](C)C2=O 107407358 573580599 /nfs/dbraw/zinc/58/05/99/573580599.db2.gz SOUXHKOQOLVQGC-VIFPVBQESA-N 0 0 174.243 2.760 10 0 AFAERN COc1ccc(F)c2occc12 144466221 573582891 /nfs/dbraw/zinc/58/28/91/573582891.db2.gz RPGIGWKFKZTTRW-UHFFFAOYSA-N 0 0 166.151 2.581 10 0 AFAERN Cc1cc(F)cc(C2(O)CCCC2)c1 86692675 573580668 /nfs/dbraw/zinc/58/06/68/573580668.db2.gz LKKLAZJHCCNBRI-UHFFFAOYSA-N 0 0 194.249 2.896 10 0 AFAERN CC[C@H](C)c1nsc(Cl)n1 83646038 573580672 /nfs/dbraw/zinc/58/06/72/573580672.db2.gz CVAYFDLUZCVNPO-BYPYZUCNSA-N 0 0 176.672 2.705 10 0 AFAERN C[C@@H]1CCCC[C@H]1Nc1ncns1 83652374 573580743 /nfs/dbraw/zinc/58/07/43/573580743.db2.gz QTTOLHAKDFTOGA-HTQZYQBOSA-N 0 0 197.307 2.529 10 0 AFAERN C[C@@H]1CCC[C@H](Nc2ncns2)C1 83652762 573580772 /nfs/dbraw/zinc/58/07/72/573580772.db2.gz OLYSUTAOGSHANS-SFYZADRCSA-N 0 0 197.307 2.529 10 0 AFAERN CC[C@@H](C)c1nsc(NC2CC2)n1 83646857 573580779 /nfs/dbraw/zinc/58/07/79/573580779.db2.gz NQDWDUKNZCUBFC-ZCFIWIBFSA-N 0 0 197.307 2.626 10 0 AFAERN Cc1cc(F)cc(C2(O)CCC2)c1 86692869 573580802 /nfs/dbraw/zinc/58/08/02/573580802.db2.gz OUIOMOPBHUMCRD-UHFFFAOYSA-N 0 0 180.222 2.506 10 0 AFAERN CC1CCC(Nc2ncns2)CC1 83652542 573580844 /nfs/dbraw/zinc/58/08/44/573580844.db2.gz UJVXIPXITUQETO-UHFFFAOYSA-N 0 0 197.307 2.529 10 0 AFAERN Cc1cc(F)cc(C(=O)[C@@H]2C[C@H]2C)c1 86693060 573580847 /nfs/dbraw/zinc/58/08/47/573580847.db2.gz PLSZHQQXIDHSAW-LDYMZIIASA-N 0 0 192.233 2.973 10 0 AFAERN On1c(-c2cccs2)c[nH]c1=S 144373680 573580887 /nfs/dbraw/zinc/58/08/87/573580887.db2.gz KMCOLLGSXUIURN-UHFFFAOYSA-N 0 0 198.272 2.511 10 0 AFAERN COC(=O)Sc1ccc(OC)cc1 259115022 573580889 /nfs/dbraw/zinc/58/08/89/573580889.db2.gz BHWALXISRRNHPO-UHFFFAOYSA-N 0 0 198.243 2.554 10 0 AFAERN CCCCC(=O)c1ccc(F)cn1 86704469 573580935 /nfs/dbraw/zinc/58/09/35/573580935.db2.gz AGFYZMYJEJGVSM-UHFFFAOYSA-N 0 0 181.210 2.594 10 0 AFAERN C[C@H]1CC(=O)[C@H]2C[C@@H](C1)C2(C)C 238440999 573580938 /nfs/dbraw/zinc/58/09/38/573580938.db2.gz RDHQBMVWTDQOPO-IWSPIJDZSA-N 0 0 166.264 2.648 10 0 AFAERN CO[C@H](c1ccc(Cl)cc1)N(C)C 259114900 573581026 /nfs/dbraw/zinc/58/10/26/573581026.db2.gz IGJPQVSCSIUBSG-SNVBAGLBSA-N 0 0 199.681 2.547 10 0 AFAERN CC(C)c1nsc(NC(C)(C)C)n1 83646993 573581084 /nfs/dbraw/zinc/58/10/84/573581084.db2.gz RBPOCDUAHHXZGF-UHFFFAOYSA-N 0 0 199.323 2.872 10 0 AFAERN Cc1cc(F)cc(C2=C[C@H](O)CC2)c1 86694214 573581156 /nfs/dbraw/zinc/58/11/56/573581156.db2.gz MYGGRRVFCWYOLM-GFCCVEGCSA-N 0 0 192.233 2.672 10 0 AFAERN CC1=C(C)[C@@H](C)[C@@H](C)/C1=C\CCO 238440740 573581167 /nfs/dbraw/zinc/58/11/67/573581167.db2.gz PYBNFRATVFNOTM-WBISKFQVSA-N 0 0 180.291 2.917 10 0 AFAERN CC(C)Nc1nc(C2CCC2)ns1 83646677 573581183 /nfs/dbraw/zinc/58/11/83/573581183.db2.gz VXXZKASNFWZSNB-UHFFFAOYSA-N 0 0 197.307 2.626 10 0 AFAERN C[C@H]1CC[C@H](CO)CC(C)(C)C1 238442305 573583449 /nfs/dbraw/zinc/58/34/49/573583449.db2.gz RVCASLADKQONTF-UWVGGRQHSA-N 0 0 170.296 2.831 10 0 AFAERN CC(C)=C=C1C(C)(C)[C@@]1(C)[C@@H](C)O 238441383 573581424 /nfs/dbraw/zinc/58/14/24/573581424.db2.gz IWXGZFIGOQTTKW-SKDRFNHKSA-N 0 0 180.291 2.905 10 0 AFAERN Nc1csc(Cc2ccccc2)c1 75468347 573581430 /nfs/dbraw/zinc/58/14/30/573581430.db2.gz LQNMEMJKDGEWPW-UHFFFAOYSA-N 0 0 189.283 2.921 10 0 AFAERN Cc1ccc2c(c1)CC[C@@H](C)C2=O 107407366 573581435 /nfs/dbraw/zinc/58/14/35/573581435.db2.gz MTVOSSFYUZVDOJ-SECBINFHSA-N 0 0 174.243 2.760 10 0 AFAERN COSc1cc(C)ccc1C 259116787 573581460 /nfs/dbraw/zinc/58/14/60/573581460.db2.gz BJDNCONUKGJDPE-UHFFFAOYSA-N 0 0 168.261 2.957 10 0 AFAERN CC(C)(C)Nc1nc(C2CC2)ns1 83647016 573581530 /nfs/dbraw/zinc/58/15/30/573581530.db2.gz TYJIGIGYBMNSQF-UHFFFAOYSA-N 0 0 197.307 2.626 10 0 AFAERN c1nsc(NC2CCCCCC2)n1 83652687 573581543 /nfs/dbraw/zinc/58/15/43/573581543.db2.gz ZHNYSONGKYAMNH-UHFFFAOYSA-N 0 0 197.307 2.673 10 0 AFAERN CC[C@@H](C)c1nsc(Cl)n1 83646036 573581641 /nfs/dbraw/zinc/58/16/41/573581641.db2.gz CVAYFDLUZCVNPO-SCSAIBSYSA-N 0 0 176.672 2.705 10 0 AFAERN CC(C)(O)[Si](C)(C1CC1)C1CC1 198325912 573583467 /nfs/dbraw/zinc/58/34/67/573583467.db2.gz RPZCLPNEMWCASS-UHFFFAOYSA-N 0 0 184.355 2.703 10 0 AFAERN CC(C)c1cc2c(o1)C(=O)CCC2 107409463 573581790 /nfs/dbraw/zinc/58/17/90/573581790.db2.gz XSFVRDGCCJLTCT-UHFFFAOYSA-N 0 0 178.231 2.922 10 0 AFAERN C[C@@H]1C(=O)c2cccc3c2[C@H]1CCC3 86717962 573581885 /nfs/dbraw/zinc/58/18/85/573581885.db2.gz YEXGPEALBWBNOD-WPRPVWTQSA-N 0 0 186.254 2.939 10 0 AFAERN CC(C)CCc1cc(N)cs1 75468341 573581908 /nfs/dbraw/zinc/58/19/08/573581908.db2.gz OGVLPTDSFZLVID-UHFFFAOYSA-N 0 0 169.293 2.919 10 0 AFAERN CC1=CCC[C@@H](C)C(=O)CC1 238441234 573582002 /nfs/dbraw/zinc/58/20/02/573582002.db2.gz XXPNUGXGLJPONF-SECBINFHSA-N 0 0 152.237 2.712 10 0 AFAERN COc1ccc2c(c1)C(=O)[C@@H](C)[C@@H]2C 86718060 573582025 /nfs/dbraw/zinc/58/20/25/573582025.db2.gz ZEBDRODJIZHRDQ-YUMQZZPRSA-N 0 0 190.242 2.631 10 0 AFAERN C/C=C\CNc1ccc(OC)c(C)c1 308403191 573582116 /nfs/dbraw/zinc/58/21/16/573582116.db2.gz BXVOLCFRFLYSTK-PLNGDYQASA-N 0 0 191.274 2.992 10 0 AFAERN C[C@H](O)c1sc(Cl)nc1Cl 238445613 573582325 /nfs/dbraw/zinc/58/23/25/573582325.db2.gz QMRNMPVHBBPQNE-REOHCLBHSA-N 0 0 198.074 2.503 10 0 AFAERN CC(C)CCc1nsc(Cl)n1 83646024 573582348 /nfs/dbraw/zinc/58/23/48/573582348.db2.gz WNTJCPICGMXGPU-UHFFFAOYSA-N 0 0 190.699 2.780 10 0 AFAERN CCNc1nc(CC(C)(C)C)ns1 83646319 573582385 /nfs/dbraw/zinc/58/23/85/573582385.db2.gz PXBGFSWRWLHAPV-UHFFFAOYSA-N 0 0 199.323 2.559 10 0 AFAERN C[C@@H](C/C=C\[Si](C)(C)C)[C@@H](C)O 214447121 573583512 /nfs/dbraw/zinc/58/35/12/573583512.db2.gz JNHIYAWWKUNJLC-BWAOMENWSA-N 0 0 186.371 2.827 10 0 AFAERN C[C@H](O)c1cccc(NC(C)(C)C)c1 238441327 573582433 /nfs/dbraw/zinc/58/24/33/573582433.db2.gz QJAZARPBPMEIBG-VIFPVBQESA-N 0 0 193.290 2.950 10 0 AFAERN CC[C@@H](C)c1nsc(NC(C)C)n1 83646706 573582450 /nfs/dbraw/zinc/58/24/50/573582450.db2.gz RDQPOANNOTYHEL-SSDOTTSWSA-N 0 0 199.323 2.872 10 0 AFAERN CC/C=C(\C)C(=O)OCC1(C)CC1 308403848 573582478 /nfs/dbraw/zinc/58/24/78/573582478.db2.gz IMCNVKDXJWFDCO-WEVVVXLNSA-N 0 0 182.263 2.686 10 0 AFAERN Cc1cccc2cc(CON)sc12 258066399 573582532 /nfs/dbraw/zinc/58/25/32/573582532.db2.gz GQPGFGZOEDMOKE-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN CC[C@@](O)(C(C)C)C1CCC1 144471580 573582679 /nfs/dbraw/zinc/58/26/79/573582679.db2.gz UWZJTKFFQSYMEZ-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1CCc2cc(F)ccc2C1=O 107409435 573582690 /nfs/dbraw/zinc/58/26/90/573582690.db2.gz MGILJSVLYMLXSK-SSDOTTSWSA-N 0 0 178.206 2.591 10 0 AFAERN Cc1ccc(SO)c(C)c1 259114659 573582767 /nfs/dbraw/zinc/58/27/67/573582767.db2.gz BDSAYNKPXONFBM-UHFFFAOYSA-N 0 0 154.234 2.869 10 0 AFAERN O=C1c2ccccc2SC12CC2 107408162 573582774 /nfs/dbraw/zinc/58/27/74/573582774.db2.gz MOJKQIDOEGLZNT-UHFFFAOYSA-N 0 0 176.240 2.508 10 0 AFAERN CC[C@H](O)[C@H](C)Nc1ccccc1C 144451602 573582908 /nfs/dbraw/zinc/58/29/08/573582908.db2.gz WWDGGOYLVUBHNH-JQWIXIFHSA-N 0 0 193.290 2.566 10 0 AFAERN CC/C=C(\C)C(=O)N(C)CCCC 308402170 573582933 /nfs/dbraw/zinc/58/29/33/573582933.db2.gz HOPODMKEBBSTHP-CSKARUKUSA-N 0 0 183.295 2.601 10 0 AFAERN CC[C@](O)(C(C)C)C1CCC1 144471778 573582976 /nfs/dbraw/zinc/58/29/76/573582976.db2.gz UWZJTKFFQSYMEZ-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN C/C=C\CNc1ccc(F)cc1OC 308403663 573583049 /nfs/dbraw/zinc/58/30/49/573583049.db2.gz GAQOOBJFQJUHPK-ARJAWSKDSA-N 0 0 195.237 2.822 10 0 AFAERN CCCCC(=O)OCc1cccs1 308403836 573583081 /nfs/dbraw/zinc/58/30/81/573583081.db2.gz ILRCKEIDRVQESF-UHFFFAOYSA-N 0 0 198.287 2.982 10 0 AFAERN C/C=C\CNc1cc(OC)ccc1F 308403204 573583125 /nfs/dbraw/zinc/58/31/25/573583125.db2.gz CFJCAFUPPAHLDY-ARJAWSKDSA-N 0 0 195.237 2.822 10 0 AFAERN CC(C)c1cc2oc(C=O)cc2cn1 82391069 573583163 /nfs/dbraw/zinc/58/31/63/573583163.db2.gz PZKGRDCOFOGIJJ-UHFFFAOYSA-N 0 0 189.214 2.764 10 0 AFAERN CSc1ccc(C(=O)C(C)C)n1C 75469156 573583175 /nfs/dbraw/zinc/58/31/75/573583175.db2.gz YLUDSIQYNXCHIK-UHFFFAOYSA-N 0 0 197.303 2.586 10 0 AFAERN Cc1cccc2c1CC[C@@H](C)C2=O 107407360 573583293 /nfs/dbraw/zinc/58/32/93/573583293.db2.gz SOUXHKOQOLVQGC-SECBINFHSA-N 0 0 174.243 2.760 10 0 AFAERN CO[C@@H](c1ccc(Cl)cc1)N(C)C 259114896 573583392 /nfs/dbraw/zinc/58/33/92/573583392.db2.gz IGJPQVSCSIUBSG-JTQLQIEISA-N 0 0 199.681 2.547 10 0 AFAERN Cc1cc2ccc(O)cc2n1C1CC1 259519240 573584484 /nfs/dbraw/zinc/58/44/84/573584484.db2.gz AEZHKVGDCLSOQU-UHFFFAOYSA-N 0 0 187.242 2.990 10 0 AFAERN C[C@]1(/C=C/c2ccccc2)C[C@H]1CO 238442656 573585447 /nfs/dbraw/zinc/58/54/47/573585447.db2.gz QZXOKZFPTMRGBX-FVWNJDPFSA-N 0 0 188.270 2.718 10 0 AFAERN C[C@@H]1C(=O)CCC[C@H]2CCC[C@H]12 238442327 573584520 /nfs/dbraw/zinc/58/45/20/573584520.db2.gz MXSWDVUDYSLPCI-IVZWLZJFSA-N 0 0 166.264 2.792 10 0 AFAERN COC(=O)[C@@H]1[C@H](C2CCCC2)C1(C)C 259518290 573584589 /nfs/dbraw/zinc/58/45/89/573584589.db2.gz CVSHKAZJTGCIJH-UWVGGRQHSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)=C1[C@H](C)[C@H]2C(=O)CC[C@@H]12 238442811 573584695 /nfs/dbraw/zinc/58/46/95/573584695.db2.gz UYQDMTWJYGGNKK-DKCNOQQISA-N 0 0 164.248 2.568 10 0 AFAERN CC/C(=C\c1cc(C)ccc1F)CO 308402325 573584710 /nfs/dbraw/zinc/58/47/10/573584710.db2.gz XHTSZVQGANORFM-JXMROGBWSA-N 0 0 194.249 2.920 10 0 AFAERN Clc1nc(-c2ccc[nH]2)cs1 259114852 573584793 /nfs/dbraw/zinc/58/47/93/573584793.db2.gz BNYRJUFMJRGYRD-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN Cc1ccc2c(c1)CC[C@H](C)C2=O 107407364 573584818 /nfs/dbraw/zinc/58/48/18/573584818.db2.gz MTVOSSFYUZVDOJ-VIFPVBQESA-N 0 0 174.243 2.760 10 0 AFAERN CC1=C[C@H](C)[C@]2(C)C(=O)CC[C@@H]2C1 238441805 573584926 /nfs/dbraw/zinc/58/49/26/573584926.db2.gz GNOBPDVYQYPELN-UMNHJUIQSA-N 0 0 178.275 2.958 10 0 AFAERN CCCc1ccc(NC(C)=O)cc1C 224953059 573584985 /nfs/dbraw/zinc/58/49/85/573584985.db2.gz DHAOQXQJWPCQFX-UHFFFAOYSA-N 0 0 191.274 2.906 10 0 AFAERN CC(C)[Si](C)(C(C)C)[C@@H](C)O 198326776 573585022 /nfs/dbraw/zinc/58/50/22/573585022.db2.gz DQUCRQZKPBOAQG-VIFPVBQESA-N 0 0 174.360 2.805 10 0 AFAERN C[C@H]1CCc2cc(F)ccc2C1=O 107409439 573585024 /nfs/dbraw/zinc/58/50/24/573585024.db2.gz MGILJSVLYMLXSK-ZETCQYMHSA-N 0 0 178.206 2.591 10 0 AFAERN COC(=O)[C@@H]1[C@@H](C2CCCC2)C1(C)C 259518300 573585148 /nfs/dbraw/zinc/58/51/48/573585148.db2.gz CVSHKAZJTGCIJH-ZJUUUORDSA-N 0 0 196.290 2.622 10 0 AFAERN Cc1cc(F)cc2c1C[C@@H](C)C2=O 86717981 573585451 /nfs/dbraw/zinc/58/54/51/573585451.db2.gz RKUSWLHMJCZYTE-SSDOTTSWSA-N 0 0 178.206 2.509 10 0 AFAERN C[C@@H]1CCC=C2CC(=O)CC[C@H]21 238442511 573585453 /nfs/dbraw/zinc/58/54/53/573585453.db2.gz CYRLIWYYADHBNJ-KCJUWKMLSA-N 0 0 164.248 2.712 10 0 AFAERN Nc1csc(C(=O)C2CCCC2)c1 75468175 573585263 /nfs/dbraw/zinc/58/52/63/573585263.db2.gz HNUHXXYZEWXMSF-UHFFFAOYSA-N 0 0 195.287 2.703 10 0 AFAERN c1nsc(NCCC2CCCC2)n1 83653520 573585277 /nfs/dbraw/zinc/58/52/77/573585277.db2.gz PPHJAJYUHUSZLK-UHFFFAOYSA-N 0 0 197.307 2.530 10 0 AFAERN C=CC1=C[C@H](C)[C@@H](C(C)=O)CC1 238442343 573585314 /nfs/dbraw/zinc/58/53/14/573585314.db2.gz VRLDUSXJYXCVGK-KWQFWETISA-N 0 0 164.248 2.734 10 0 AFAERN C[C@@H]1CCC=C2CC(=O)CC[C@@H]21 238442522 573585410 /nfs/dbraw/zinc/58/54/10/573585410.db2.gz CYRLIWYYADHBNJ-LDYMZIIASA-N 0 0 164.248 2.712 10 0 AFAERN Cc1c[nH]c2c1Cc1ccccc1-2 238442591 573586730 /nfs/dbraw/zinc/58/67/30/573586730.db2.gz REAHMZKFFWBRJV-UHFFFAOYSA-N 0 0 169.227 2.894 10 0 AFAERN Cc1cc(N)ncc1-c1ccsc1 86716478 573587054 /nfs/dbraw/zinc/58/70/54/573587054.db2.gz QHXJWMZLEBMRCX-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCC[C@@H](C)COC(=O)C(C)(C)F 308405013 573587111 /nfs/dbraw/zinc/58/71/11/573587111.db2.gz JFMSUYRZOLBYDG-MRVPVSSYSA-N 0 0 190.258 2.714 10 0 AFAERN C[C@@H]1CC[C@](C)([C@@H](C)O)C1(C)C 238441669 573587087 /nfs/dbraw/zinc/58/70/87/573587087.db2.gz IXIDZZCIQHXMCI-FXPVBKGRSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1Cc2sc(Cl)cc2C1=O 107418687 573586624 /nfs/dbraw/zinc/58/66/24/573586624.db2.gz NAZSHHDUCXYSRN-SCSAIBSYSA-N 0 0 186.663 2.776 10 0 AFAERN Cc1ccc2c(c1C)C[C@H](C)C2=O 86717930 573586696 /nfs/dbraw/zinc/58/66/96/573586696.db2.gz LVUAWUPZTUDEAW-QMMMGPOBSA-N 0 0 174.243 2.678 10 0 AFAERN Cc1ccc(Nc2cc[nH]c2)c(N)c1 258802923 573586739 /nfs/dbraw/zinc/58/67/39/573586739.db2.gz NMNHMNHAGKNUEM-UHFFFAOYSA-N 0 0 187.246 2.649 10 0 AFAERN Cc1nc(Cl)[nH]c1CC(C)C 258797149 573586786 /nfs/dbraw/zinc/58/67/86/573586786.db2.gz WNXXJPQASLQUFB-UHFFFAOYSA-N 0 0 172.659 2.570 10 0 AFAERN C[C@@H]1C(=O)CCC[C@@H]2CCC[C@@H]21 238442476 573586812 /nfs/dbraw/zinc/58/68/12/573586812.db2.gz MXSWDVUDYSLPCI-LPEHRKFASA-N 0 0 166.264 2.792 10 0 AFAERN COc1ccc2c(c1)C(=O)[C@H](C)[C@H]2C 86718058 573586843 /nfs/dbraw/zinc/58/68/43/573586843.db2.gz ZEBDRODJIZHRDQ-HTQZYQBOSA-N 0 0 190.242 2.631 10 0 AFAERN C[C@H](O)/C=C\c1sccc1Cl 394063862 573586869 /nfs/dbraw/zinc/58/68/69/573586869.db2.gz SOJKTJQHNROKAB-GFNSNHMOSA-N 0 0 188.679 2.796 10 0 AFAERN CC1(CNc2ncns2)CCCC1 83668945 573586898 /nfs/dbraw/zinc/58/68/98/573586898.db2.gz XSNPJXZVHYAYBR-UHFFFAOYSA-N 0 0 197.307 2.530 10 0 AFAERN C[C@H]1C(=O)c2cccc3c2[C@H]1CCC3 86717960 573586933 /nfs/dbraw/zinc/58/69/33/573586933.db2.gz YEXGPEALBWBNOD-SCZZXKLOSA-N 0 0 186.254 2.939 10 0 AFAERN CC1=C[C@@H]2[C@H](C)C(=O)C[C@@H]2C1(C)C 238441643 573586952 /nfs/dbraw/zinc/58/69/52/573586952.db2.gz DPUPDTCCMGZTMK-AEJSXWLSSA-N 0 0 178.275 2.814 10 0 AFAERN CCN1C[C@H](C)Nc2cccc(C)c21 258408387 573586966 /nfs/dbraw/zinc/58/69/66/573586966.db2.gz CWOIXCJICUSVOD-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN C[C@H]1C(=O)c2c(F)ccc(F)c2[C@@H]1C 86718179 573588145 /nfs/dbraw/zinc/58/81/45/573588145.db2.gz AYYNTYLTUTVNJN-PHDIDXHHSA-N 0 0 196.196 2.901 10 0 AFAERN C[C@@H]1CCC=C[C@@]2(C)C(=O)CC[C@@H]12 238443182 573588165 /nfs/dbraw/zinc/58/81/65/573588165.db2.gz YMNHCUPKLJJYOG-JFGNBEQYSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H]1C(=O)c2cc(F)ccc2[C@@H]1C 86718167 573588170 /nfs/dbraw/zinc/58/81/70/573588170.db2.gz VDRPABVFKLWRPU-RQJHMYQMSA-N 0 0 178.206 2.762 10 0 AFAERN CC(=O)C[C@H]1CCCC=C[C@@H]1C 238443554 573589921 /nfs/dbraw/zinc/58/99/21/573589921.db2.gz CKJBWSMWOSXIAA-GXSJLCMTSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)(C)CNc1ccc(N)c(F)c1 258808627 573590234 /nfs/dbraw/zinc/59/02/34/573590234.db2.gz OAMUMJBWWAFEPU-UHFFFAOYSA-N 0 0 196.269 2.866 10 0 AFAERN Cc1ccc(C)c2c1C[C@H](C)[C@H]2O 86721781 573588181 /nfs/dbraw/zinc/58/81/81/573588181.db2.gz DNPADAPQONTTDY-JOYOIKCWSA-N 0 0 176.259 2.529 10 0 AFAERN C[C@@H]1C(=O)c2cc(F)ccc2[C@H]1C 86718166 573590314 /nfs/dbraw/zinc/59/03/14/573590314.db2.gz VDRPABVFKLWRPU-BQBZGAKWSA-N 0 0 178.206 2.762 10 0 AFAERN C[C@@H]1Cc2ccccc2[C@H](O)[C@@H]1C 86721738 573588189 /nfs/dbraw/zinc/58/81/89/573588189.db2.gz MWGSDDNOMMGDSY-KBVBSXBZSA-N 0 0 176.259 2.548 10 0 AFAERN c1ccc2c(c1)NCn1cccc1-2 144440662 573588192 /nfs/dbraw/zinc/58/81/92/573588192.db2.gz BIUYEBFEVABEEP-UHFFFAOYSA-N 0 0 170.215 2.538 10 0 AFAERN CCSc1ccc(NCOC)cc1 259116943 573588716 /nfs/dbraw/zinc/58/87/16/573588716.db2.gz PMOOHBDZZJMMLS-UHFFFAOYSA-N 0 0 197.303 2.814 10 0 AFAERN CCN1C[C@@H](C)Nc2cccc(C)c21 258408388 573588356 /nfs/dbraw/zinc/58/83/56/573588356.db2.gz CWOIXCJICUSVOD-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN CCC[C@H](C)COC(=O)C(C)(C)F 308405014 573588361 /nfs/dbraw/zinc/58/83/61/573588361.db2.gz JFMSUYRZOLBYDG-QMMMGPOBSA-N 0 0 190.258 2.714 10 0 AFAERN CC(C)(C)CC[C@](C)(O)C1=COCC1 308640968 573588449 /nfs/dbraw/zinc/58/84/49/573588449.db2.gz DAORLGNWBZBHKD-LBPRGKRZSA-N 0 0 198.306 2.868 10 0 AFAERN CC(C)(Cc1ccc(Cl)cc1)ON 259519873 573588465 /nfs/dbraw/zinc/58/84/65/573588465.db2.gz SPTXOTFVJCSPJZ-UHFFFAOYSA-N 0 0 199.681 2.551 10 0 AFAERN CCC(=O)c1ccc(SC)o1 75479365 573588479 /nfs/dbraw/zinc/58/84/79/573588479.db2.gz PLKKNKQMBCQKMI-UHFFFAOYSA-N 0 0 170.233 2.594 10 0 AFAERN C[C@@H]1c2c(F)cc(F)cc2[C@H](O)[C@@H]1C 86721724 573588507 /nfs/dbraw/zinc/58/85/07/573588507.db2.gz UCZCEEANQJTWQT-WGDKSQQYSA-N 0 0 198.212 2.751 10 0 AFAERN Cc1cccc2c1[C@H](C)[C@@H](C)[C@@H]2O 86721819 573588541 /nfs/dbraw/zinc/58/85/41/573588541.db2.gz OHDSGVOXQIJAJM-LNLATYFQSA-N 0 0 176.259 2.782 10 0 AFAERN O=C1c2ccccc2CCC12CCC2 107418336 573588553 /nfs/dbraw/zinc/58/85/53/573588553.db2.gz ISVGFECKCVVSBS-UHFFFAOYSA-N 0 0 186.254 2.986 10 0 AFAERN CC1=C2C=C[C@H](C)[C@H]2C(=O)CCC1 238443097 573588587 /nfs/dbraw/zinc/58/85/87/573588587.db2.gz DFWHRYMBGMLWEF-JOYOIKCWSA-N 0 0 176.259 2.878 10 0 AFAERN CCCOC[C@H](O)C1=CCCCCC1 233230309 573588606 /nfs/dbraw/zinc/58/86/06/573588606.db2.gz OWMGGASVRCFMQB-LBPRGKRZSA-N 0 0 198.306 2.664 10 0 AFAERN C[C@H]1C(=O)c2cccc(F)c2[C@@H]1C 86718079 573590091 /nfs/dbraw/zinc/59/00/91/573590091.db2.gz TZCRXDOWIQPGOP-RNFRBKRXSA-N 0 0 178.206 2.762 10 0 AFAERN Cc1cc(C)c2c(c1)C[C@@H](C)[C@@H]2O 86721993 573589716 /nfs/dbraw/zinc/58/97/16/573589716.db2.gz QGWOFBVZWODEES-SKDRFNHKSA-N 0 0 176.259 2.529 10 0 AFAERN C[C@@H]1C(=O)c2c(F)ccc(F)c2[C@H]1C 86718182 573589421 /nfs/dbraw/zinc/58/94/21/573589421.db2.gz AYYNTYLTUTVNJN-WDSKDSINSA-N 0 0 196.196 2.901 10 0 AFAERN COC(=O)[C@@]1(C2CC2)CC12CCCC2 259520634 573589423 /nfs/dbraw/zinc/58/94/23/573589423.db2.gz DBTWSFQEJYOYSZ-LBPRGKRZSA-N 0 0 194.274 2.520 10 0 AFAERN C[C@@H]1c2c(F)cccc2[C@H](O)[C@@H]1C 86721917 573589430 /nfs/dbraw/zinc/58/94/30/573589430.db2.gz BCMHBGVERIFOEC-MVKOHCKWSA-N 0 0 180.222 2.612 10 0 AFAERN Cc1ccc(Nc2ccccc2N)o1 258788074 573589441 /nfs/dbraw/zinc/58/94/41/573589441.db2.gz LYDIWNFFTMKGPV-UHFFFAOYSA-N 0 0 188.230 2.914 10 0 AFAERN C[C@@H]1[C@@H](O)c2cccc3c2[C@@H]1CCC3 86721454 573589467 /nfs/dbraw/zinc/58/94/67/573589467.db2.gz GPHIZOIAOYLUJM-IYYTYJHQSA-N 0 0 188.270 2.790 10 0 AFAERN CCc1cc(C(=O)C(C)C)c(N)s1 75491705 573589470 /nfs/dbraw/zinc/58/94/70/573589470.db2.gz LJEMEKGJSZNGQM-UHFFFAOYSA-N 0 0 197.303 2.731 10 0 AFAERN Cc1cccc2c1[C@@H](C)[C@H](C)C2=O 86718100 573589481 /nfs/dbraw/zinc/58/94/81/573589481.db2.gz CKVMCRURJYINBG-IUCAKERBSA-N 0 0 174.243 2.931 10 0 AFAERN Cc1cc2ccc([C@@H](C)O)cc2n1C 258063970 573589513 /nfs/dbraw/zinc/58/95/13/573589513.db2.gz LYIXMQBQLWPLPD-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN CCC(CC)C(=O)OC1CC(C)C1 308405311 573589550 /nfs/dbraw/zinc/58/95/50/573589550.db2.gz JGEHVHADSKYZIR-UHFFFAOYSA-N 0 0 184.279 2.764 10 0 AFAERN FC(F)(F)c1cc(Cl)sn1 107419045 573589559 /nfs/dbraw/zinc/58/95/59/573589559.db2.gz ZSEQYYQXXCQFTL-UHFFFAOYSA-N 0 0 187.573 2.815 10 0 AFAERN C[C@H]1[C@@H](C)C(=O)C12C=CC=CC=C2 238443454 573589572 /nfs/dbraw/zinc/58/95/72/573589572.db2.gz OUOWLLFYEFAETI-ZJUUUORDSA-N 0 0 174.243 2.510 10 0 AFAERN Cc1cc2c(O)cccc2n1C1CC1 259521287 573589611 /nfs/dbraw/zinc/58/96/11/573589611.db2.gz AJRQGZVCRYJNIU-UHFFFAOYSA-N 0 0 187.242 2.990 10 0 AFAERN CC(C)c1sc(CO)nc1C1CC1 257833676 573589621 /nfs/dbraw/zinc/58/96/21/573589621.db2.gz KBROMQAWLSTHLY-UHFFFAOYSA-N 0 0 197.303 2.636 10 0 AFAERN C[C@@H]1C(=O)c2cccc3c2[C@H]1CC3 86718295 573589651 /nfs/dbraw/zinc/58/96/51/573589651.db2.gz PRSUUZOMGHNPHD-CBAPKCEASA-N 0 0 172.227 2.549 10 0 AFAERN COc1cccc2c1[C@@H](C)[C@@H](C)C2=O 86718279 573589700 /nfs/dbraw/zinc/58/97/00/573589700.db2.gz ZWECMONIXZSVMB-JGVFFNPUSA-N 0 0 190.242 2.631 10 0 AFAERN Cc1cccc2c1[C@H](C)[C@H](C)[C@@H]2O 86721815 573589722 /nfs/dbraw/zinc/58/97/22/573589722.db2.gz OHDSGVOXQIJAJM-PTRXPTGYSA-N 0 0 176.259 2.782 10 0 AFAERN CCc1ccc(C/C(C)=C\CO)cc1 308631153 573589772 /nfs/dbraw/zinc/58/97/72/573589772.db2.gz UVCDZCZOKZKNQJ-FLIBITNWSA-N 0 0 190.286 2.730 10 0 AFAERN C[C@@H]1c2ccccc2[C@@H](CCO)[C@@H]1C 238443575 573589802 /nfs/dbraw/zinc/58/98/02/573589802.db2.gz GAZBZNDLLFKWHD-UMNHJUIQSA-N 0 0 190.286 2.906 10 0 AFAERN Cc1ccc2c(c1C)C[C@H](C)[C@@H]2O 86721469 573589835 /nfs/dbraw/zinc/58/98/35/573589835.db2.gz JCPUAFFRZGDQGQ-UFBFGSQYSA-N 0 0 176.259 2.529 10 0 AFAERN C[C@@]12CCC[C@]1(C)CC(=O)CC2 238442913 573589861 /nfs/dbraw/zinc/58/98/61/573589861.db2.gz QHNVDZHPLOTLRM-WDEREUQCSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H]1c2c(F)ccc(F)c2C(=O)[C@@H]1C 86718177 573590291 /nfs/dbraw/zinc/59/02/91/573590291.db2.gz AYYNTYLTUTVNJN-NTSWFWBYSA-N 0 0 196.196 2.901 10 0 AFAERN Cc1cc([C@@H](O)C2CC2)cc(C)c1F 83685391 573589949 /nfs/dbraw/zinc/58/99/49/573589949.db2.gz DCMSPURNJDDGTI-LBPRGKRZSA-N 0 0 194.249 2.886 10 0 AFAERN Cc1cc2ccc([C@H](C)O)cc2n1C 258063971 573589970 /nfs/dbraw/zinc/58/99/70/573589970.db2.gz LYIXMQBQLWPLPD-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN C[C@@H]1C(=O)c2cccc(F)c2[C@H]1C 86718081 573589999 /nfs/dbraw/zinc/58/99/99/573589999.db2.gz TZCRXDOWIQPGOP-BQBZGAKWSA-N 0 0 178.206 2.762 10 0 AFAERN COC(=O)[C@]1(C2CC2)CC12CCCC2 259520633 573590003 /nfs/dbraw/zinc/59/00/03/573590003.db2.gz DBTWSFQEJYOYSZ-GFCCVEGCSA-N 0 0 194.274 2.520 10 0 AFAERN CC1=C[C@](C)([C@@H](C)O)c2ccccc21 238442910 573590020 /nfs/dbraw/zinc/59/00/20/573590020.db2.gz LIVVLBPGPKOKPF-ZWNOBZJWSA-N 0 0 188.270 2.742 10 0 AFAERN CC[C@@H]1c2ccccc2[C@@H](O)[C@@H]1C 86722044 573590044 /nfs/dbraw/zinc/59/00/44/573590044.db2.gz IHLICGWVGVZGSW-PTRXPTGYSA-N 0 0 176.259 2.863 10 0 AFAERN C[C@@H]1[C@@H](O)C(Cl)=C2C=CC=CC[C@@H]21 238443709 573590299 /nfs/dbraw/zinc/59/02/99/573590299.db2.gz CFZSFTFZFROULD-VAOFZXAKSA-N 0 0 196.677 2.622 10 0 AFAERN Cc1cc(C)c2c(c1)[C@H](O)[C@H](C)C2 86721671 573590160 /nfs/dbraw/zinc/59/01/60/573590160.db2.gz GBSLOZAQFBFPAJ-BXKDBHETSA-N 0 0 176.259 2.529 10 0 AFAERN C[C@H]1CN[C@@H](c2ccccc2)C1(F)F 238443381 573590172 /nfs/dbraw/zinc/59/01/72/573590172.db2.gz PUMJNCGESJCMLQ-WPRPVWTQSA-N 0 0 197.228 2.602 10 0 AFAERN C[C@@H](O)/C=C/C=C\c1ccc(F)cc1 308631615 573590203 /nfs/dbraw/zinc/59/02/03/573590203.db2.gz VBLMKPCHPFOXCP-YADVEMPRSA-N 0 0 192.233 2.776 10 0 AFAERN CC1=CC=C[C@H](C)[C@@]12CCCC2=O 238443205 573590219 /nfs/dbraw/zinc/59/02/19/573590219.db2.gz NRSTZVCLZLFPRO-CABZTGNLSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@H](C)[C@H]2C 86718142 573590232 /nfs/dbraw/zinc/59/02/32/573590232.db2.gz JLGKKWLDFHDANZ-RKDXNWHRSA-N 0 0 174.243 2.931 10 0 AFAERN C[C@@H]1CCc2ccccc2[C@@H](O)[C@@H]1C 86722000 573591336 /nfs/dbraw/zinc/59/13/36/573591336.db2.gz ORAIWLVAYZKVIQ-BREBYQMCSA-N 0 0 190.286 2.938 10 0 AFAERN C[C@@H]1C(=O)c2cc(F)cc(F)c2[C@H]1C 86718331 573590988 /nfs/dbraw/zinc/59/09/88/573590988.db2.gz ZVQOOQIKBJLBAH-WDSKDSINSA-N 0 0 196.196 2.901 10 0 AFAERN C[C@H]1C(=O)c2cccc3c2[C@@H]1CC3 86718297 573591012 /nfs/dbraw/zinc/59/10/12/573591012.db2.gz PRSUUZOMGHNPHD-VXNVDRBHSA-N 0 0 172.227 2.549 10 0 AFAERN C/C=C/[C@@H](O)C[C@@H](C)Cc1ccco1 308631179 573591016 /nfs/dbraw/zinc/59/10/16/573591016.db2.gz UYTOLJGYDLOGIM-UQRCUPDISA-N 0 0 194.274 2.785 10 0 AFAERN C[C@@H]1CCCC(=O)C(C)(C)C1 238443376 573591032 /nfs/dbraw/zinc/59/10/32/573591032.db2.gz KZJWJLQYSFJYRY-MRVPVSSYSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H]1C(=O)c2cc(F)ccc2[C@@H]1C 86718164 573591060 /nfs/dbraw/zinc/59/10/60/573591060.db2.gz VDRPABVFKLWRPU-RNFRBKRXSA-N 0 0 178.206 2.762 10 0 AFAERN Cc1ccc2c(c1C)C[C@@H](C)[C@H]2O 86721474 573591075 /nfs/dbraw/zinc/59/10/75/573591075.db2.gz JCPUAFFRZGDQGQ-PRHODGIISA-N 0 0 176.259 2.529 10 0 AFAERN CC[C@H]1c2ccccc2[C@@H](O)[C@@H]1C 86722045 573591087 /nfs/dbraw/zinc/59/10/87/573591087.db2.gz IHLICGWVGVZGSW-LNLATYFQSA-N 0 0 176.259 2.863 10 0 AFAERN C[C@H]1C[C@H](O)C2=C1CCCCC2 238443297 573591102 /nfs/dbraw/zinc/59/11/02/573591102.db2.gz UGLDJFFIEFHHIQ-KWQFWETISA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1CCC=C[C@@]12CCC(=O)C2 238442985 573591114 /nfs/dbraw/zinc/59/11/14/573591114.db2.gz QCAAFTRJZIPBSC-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1C(=O)c2cc(F)cc(F)c2[C@@H]1C 86718333 573591123 /nfs/dbraw/zinc/59/11/23/573591123.db2.gz ZVQOOQIKBJLBAH-RITPCOANSA-N 0 0 196.196 2.901 10 0 AFAERN Cc1cc(C)c2c(c1)C[C@@H](C)[C@H]2O 86721995 573591130 /nfs/dbraw/zinc/59/11/30/573591130.db2.gz QGWOFBVZWODEES-BXKDBHETSA-N 0 0 176.259 2.529 10 0 AFAERN O=Cc1c(F)cc(F)c2occc12 258066741 573591221 /nfs/dbraw/zinc/59/12/21/573591221.db2.gz TWBLSDWIURPWIL-UHFFFAOYSA-N 0 0 182.125 2.524 10 0 AFAERN C[C@@H]1c2c(F)cc(F)cc2C(=O)[C@@H]1C 86718329 573591252 /nfs/dbraw/zinc/59/12/52/573591252.db2.gz ZVQOOQIKBJLBAH-NTSWFWBYSA-N 0 0 196.196 2.901 10 0 AFAERN C/C=C\[C@@H](O)C[C@@H](C)Cc1ccco1 308631180 573591557 /nfs/dbraw/zinc/59/15/57/573591557.db2.gz UYTOLJGYDLOGIM-VRJVPJCWSA-N 0 0 194.274 2.785 10 0 AFAERN C[C@@H]1C(=O)c2cccc(F)c2[C@@H]1C 86718083 573591573 /nfs/dbraw/zinc/59/15/73/573591573.db2.gz TZCRXDOWIQPGOP-RQJHMYQMSA-N 0 0 178.206 2.762 10 0 AFAERN Cc1cc2c(c(C)c1F)C(=O)CCC2 83685716 573591601 /nfs/dbraw/zinc/59/16/01/573591601.db2.gz AVNKHQUWWHXJEA-UHFFFAOYSA-N 0 0 192.233 2.962 10 0 AFAERN Cc1cccc2c1[C@H](C)[C@@H](C)C2=O 86718101 573591618 /nfs/dbraw/zinc/59/16/18/573591618.db2.gz CKVMCRURJYINBG-RKDXNWHRSA-N 0 0 174.243 2.931 10 0 AFAERN Cc1c(O)c(C)c2cccnc2c1C 224375972 573591621 /nfs/dbraw/zinc/59/16/21/573591621.db2.gz GZEJUFWWTODNAH-UHFFFAOYSA-N 0 0 187.242 2.866 10 0 AFAERN C[C@H]1C=CC=C2CCCC(=O)[C@]21C 238443254 573591622 /nfs/dbraw/zinc/59/16/22/573591622.db2.gz NKMFEZRHPFISKH-CABZTGNLSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@@H](C)[C@H]2C 86718145 573591695 /nfs/dbraw/zinc/59/16/95/573591695.db2.gz JLGKKWLDFHDANZ-BDAKNGLRSA-N 0 0 174.243 2.931 10 0 AFAERN Cc1cc([C@H](O)C2CC2)cc(C)c1F 83685389 573592004 /nfs/dbraw/zinc/59/20/04/573592004.db2.gz DCMSPURNJDDGTI-GFCCVEGCSA-N 0 0 194.249 2.886 10 0 AFAERN Cc1cc(O)c2c(c1O)[C@@H](C)C=CC2 238445742 573591807 /nfs/dbraw/zinc/59/18/07/573591807.db2.gz ZSSXHGUZJYAHJQ-ZETCQYMHSA-N 0 0 190.242 2.622 10 0 AFAERN CCOC(=O)NCCC[C@@H](C)CC 238274437 573593842 /nfs/dbraw/zinc/59/38/42/573593842.db2.gz FWTGHTUKPXOWOF-VIFPVBQESA-N 0 0 187.283 2.559 10 0 AFAERN CC[C@H](C)c1nc(/C(C)=C\CO)co1 308631690 573593662 /nfs/dbraw/zinc/59/36/62/573593662.db2.gz VOIZRMHSDXJYSV-HXOPTJOXSA-N 0 0 195.262 2.584 10 0 AFAERN C[C@@H]1C(=O)C[C@H](C)CC1(C)C 238455699 573594785 /nfs/dbraw/zinc/59/47/85/573594785.db2.gz UTOBIFXJOOZWSF-JGVFFNPUSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H](C)c1nc(/C(C)=C\CO)co1 308631689 573594796 /nfs/dbraw/zinc/59/47/96/573594796.db2.gz VOIZRMHSDXJYSV-CPJBWDMUSA-N 0 0 195.262 2.584 10 0 AFAERN C/C=C1\CC[C@@]2(CO)[C@H]1[C@H]1CCC[C@H]12 308632140 573594890 /nfs/dbraw/zinc/59/48/90/573594890.db2.gz VPXCWUXLSVXVCD-LUVKTCBLSA-N 0 0 192.302 2.751 10 0 AFAERN CCOc1ccc(SO)cc1 259135713 573594918 /nfs/dbraw/zinc/59/49/18/573594918.db2.gz DGLWBOLMNKNQCQ-UHFFFAOYSA-N 0 0 170.233 2.650 10 0 AFAERN C[C@@H](CCO)O[C@@H](C)c1ccccc1 308632387 573594954 /nfs/dbraw/zinc/59/49/54/573594954.db2.gz WCHILRPECNBAEV-QWRGUYRKSA-N 0 0 194.274 2.535 10 0 AFAERN C[C@H]1CC(=O)[C@@H]1C1=CCCCC1 238456411 573594996 /nfs/dbraw/zinc/59/49/96/573594996.db2.gz QSRAUSOLKUHCAI-KWQFWETISA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)c1ccc(SC(C)C)nc1 124709938 573595027 /nfs/dbraw/zinc/59/50/27/573595027.db2.gz JIBMEDWRJSRAAR-UHFFFAOYSA-N 0 0 195.287 2.785 10 0 AFAERN Cc1cc(N)nc(C(F)F)c1Cl 238455360 573595290 /nfs/dbraw/zinc/59/52/90/573595290.db2.gz BSIQMTHKSPJFEN-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC(C)=C=CC=C=C[C@H](C)[C@H](C)O 238455485 573595304 /nfs/dbraw/zinc/59/53/04/573595304.db2.gz OZNBYIXXHUFGGL-JCADVYKZSA-N 0 0 178.275 2.836 10 0 AFAERN CC(=O)c1cnc(C(C)C)n1C(C)C 75515774 573595468 /nfs/dbraw/zinc/59/54/68/573595468.db2.gz OIIWQCZGJOLBEW-UHFFFAOYSA-N 0 0 194.278 2.790 10 0 AFAERN C[C@H]1C[C@@H](C)c2ccccc2[C@@H]1O 238455441 573595515 /nfs/dbraw/zinc/59/55/15/573595515.db2.gz VXEVZGCRXLSKMT-VDDIYKPWSA-N 0 0 176.259 2.863 10 0 AFAERN CC/C(=C/c1ccc(F)c(C)c1)CO 211934328 573595629 /nfs/dbraw/zinc/59/56/29/573595629.db2.gz RQMPKJRVWALDHJ-YFHOEESVSA-N 0 0 194.249 2.920 10 0 AFAERN Cc1cc(O)cc2c1[C@H](C)C[C@H](C)O2 238455213 573595751 /nfs/dbraw/zinc/59/57/51/573595751.db2.gz BQFBMFYFHVTBBN-APPZFPTMSA-N 0 0 192.258 2.975 10 0 AFAERN O[C@@H]1CC[C@@H](CCC(F)(F)Cl)C1 402001772 573595800 /nfs/dbraw/zinc/59/58/00/573595800.db2.gz GFWUZMWUWOIQJU-NKWVEPMBSA-N 0 0 198.640 2.759 10 0 AFAERN CC1CCC(C(=O)[C@@H]2CCCO2)CC1 83711003 573595835 /nfs/dbraw/zinc/59/58/35/573595835.db2.gz NGCYNNFDCMHAQU-ILDUYXDCSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1C[C@@H](C)c2ccc(N)cc2N1 238455322 573596023 /nfs/dbraw/zinc/59/60/23/573596023.db2.gz RUKPQNOIHNBBKH-SFYZADRCSA-N 0 0 176.263 2.576 10 0 AFAERN Cc1cc(N)nc(Cl)c1C(F)F 238456104 573596094 /nfs/dbraw/zinc/59/60/94/573596094.db2.gz INFWYSMFJSGWLX-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC(C)(C)c1c[nH]c(C(F)(F)F)n1 259136845 573596303 /nfs/dbraw/zinc/59/63/03/573596303.db2.gz RHQBZQRMFVWOOJ-UHFFFAOYSA-N 0 0 192.184 2.726 10 0 AFAERN Cc1ccccc1-c1cc(N)ns1 107420524 573596326 /nfs/dbraw/zinc/59/63/26/573596326.db2.gz VFWWCJBEBUCUMJ-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@H]1CC(=O)[C@@H](C)c2ccccc21 238456266 573596690 /nfs/dbraw/zinc/59/66/90/573596690.db2.gz HIGDFXWBJGQPGT-IUCAKERBSA-N 0 0 174.243 2.866 10 0 AFAERN CC(C)(C)[C@@H](CO)c1ccc(O)cc1 257836080 573596843 /nfs/dbraw/zinc/59/68/43/573596843.db2.gz AKCNFXFJGLOWOV-NSHDSACASA-N 0 0 194.274 2.514 10 0 AFAERN C[C@H](O)[C@@H](C)[C@@H](C)c1ccccc1 238456748 573597603 /nfs/dbraw/zinc/59/76/03/573597603.db2.gz AXJWXGDIAYKUMT-AXFHLTTASA-N 0 0 178.275 2.807 10 0 AFAERN C[C@@H](C1CC1)[C@H](O)CC1=CCCC1 400406714 573597765 /nfs/dbraw/zinc/59/77/65/573597765.db2.gz UHAIWOLGVYSISU-JOYOIKCWSA-N 0 0 180.291 2.894 10 0 AFAERN CCc1nc(C)c(CCC(C)=O)s1 259137530 573597629 /nfs/dbraw/zinc/59/76/29/573597629.db2.gz CSNJYNPBUWAXPR-UHFFFAOYSA-N 0 0 197.303 2.536 10 0 AFAERN O=Cc1[nH]c2cccc(F)c2c1Cl 257836092 573597733 /nfs/dbraw/zinc/59/77/33/573597733.db2.gz AKUMZUFESNMEOP-UHFFFAOYSA-N 0 0 197.596 2.773 10 0 AFAERN C[C@@H]1CCC[C@@H](C(=O)[C@@H]2CCCO2)C1 83710941 573598854 /nfs/dbraw/zinc/59/88/54/573598854.db2.gz QAUGPDSYFCBZKP-MXWKQRLJSA-N 0 0 196.290 2.561 10 0 AFAERN CNc1ncc(CCC(C)C)s1 258813912 573598856 /nfs/dbraw/zinc/59/88/56/573598856.db2.gz OEWWNPWMFNCNGW-UHFFFAOYSA-N 0 0 184.308 2.773 10 0 AFAERN Cc1c(CO)cc(F)c2ccccc12 238456796 573598988 /nfs/dbraw/zinc/59/89/88/573598988.db2.gz TZIJJWSYTGUVIF-UHFFFAOYSA-N 0 0 190.217 2.780 10 0 AFAERN Cc1ccc(C)c2c1NCCCN2 238457082 573599882 /nfs/dbraw/zinc/59/98/82/573599882.db2.gz VDNZNCZNIDOEKD-UHFFFAOYSA-N 0 0 176.263 2.531 10 0 AFAERN C[C@@H](O)[C@H](C)c1c[nH]c2ccccc12 238445904 573599892 /nfs/dbraw/zinc/59/98/92/573599892.db2.gz BAYRZSDJTJCCFH-DTWKUNHWSA-N 0 0 189.258 2.652 10 0 AFAERN C[C@H]1CCC[C@H](C)C12CC(=O)C2 238456652 573599918 /nfs/dbraw/zinc/59/99/18/573599918.db2.gz PBSPWWVEYCSVEM-IUCAKERBSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H](C1CC1)[C@@H](O)CC1=CCCC1 400406715 573600057 /nfs/dbraw/zinc/60/00/57/573600057.db2.gz UHAIWOLGVYSISU-SKDRFNHKSA-N 0 0 180.291 2.894 10 0 AFAERN CCOCc1ccc(O)cc1Cl 258070875 573600109 /nfs/dbraw/zinc/60/01/09/573600109.db2.gz HHDWGKJNGCCQCW-UHFFFAOYSA-N 0 0 186.638 2.582 10 0 AFAERN C[C@H]1CCC[C@H](C)C1n1cccn1 238457517 573600113 /nfs/dbraw/zinc/60/01/13/573600113.db2.gz KBMIVWGVJUTTRC-UWVGGRQHSA-N 0 0 178.279 2.880 10 0 AFAERN O=Cc1cocc1Cc1cccs1 75525838 573600133 /nfs/dbraw/zinc/60/01/33/573600133.db2.gz XDRSVCRSZPDZTF-UHFFFAOYSA-N 0 0 192.239 2.744 10 0 AFAERN Cc1c(CO)cc2cccccc1-2 238457000 573600148 /nfs/dbraw/zinc/60/01/48/573600148.db2.gz JMKAYMFEALCTEO-UHFFFAOYSA-N 0 0 172.227 2.592 10 0 AFAERN CC(=O)c1ccc(N2CCCC2)s1 75528417 573600183 /nfs/dbraw/zinc/60/01/83/573600183.db2.gz FRZLZDKFKBWRHF-UHFFFAOYSA-N 0 0 195.287 2.551 10 0 AFAERN CCOC(=O)[C@H]1C(CC)(CC)C12CC2 259523015 573600220 /nfs/dbraw/zinc/60/02/20/573600220.db2.gz DLSQLQCFPOBRJK-VIFPVBQESA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1CSc2cc(F)ccc2C1=O 107432478 573600271 /nfs/dbraw/zinc/60/02/71/573600271.db2.gz KPHZCAUOPAAZFM-ZCFIWIBFSA-N 0 0 196.246 2.750 10 0 AFAERN CC1CCC(C(=O)[C@H]2CCCO2)CC1 83711004 573600284 /nfs/dbraw/zinc/60/02/84/573600284.db2.gz NGCYNNFDCMHAQU-VQXHTEKXSA-N 0 0 196.290 2.561 10 0 AFAERN CC(=O)[C@H]1[C@H](C)C(C)(C)C1(C)C 238456499 573600308 /nfs/dbraw/zinc/60/03/08/573600308.db2.gz WUAZEPOPBFMEJM-IONNQARKSA-N 0 0 168.280 2.894 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1ccc(F)nc1 686128618 573600361 /nfs/dbraw/zinc/60/03/61/573600361.db2.gz KEYMWWLXIQQXLE-LDYMZIIASA-N 0 0 197.253 2.690 10 0 AFAERN Cc1ccc2[nH]c3c[nH]c(=O)cc3c2c1 257836132 573600396 /nfs/dbraw/zinc/60/03/96/573600396.db2.gz AMDHOCMTEXUWCO-UHFFFAOYSA-N 0 0 198.225 2.730 10 0 AFAERN O=Cc1cocc1Cc1ccccc1 75525448 573600472 /nfs/dbraw/zinc/60/04/72/573600472.db2.gz QZTNMLHYPWKPCE-UHFFFAOYSA-N 0 0 186.210 2.683 10 0 AFAERN CC(C)(C)[C@@H](CO)Cc1ccsc1 162447875 573600825 /nfs/dbraw/zinc/60/08/25/573600825.db2.gz RBUJAKYBXCTOKI-SNVBAGLBSA-N 0 0 198.331 2.945 10 0 AFAERN C[C@@H]1C[C@H](O)c2ccc(Cl)cc21 238456629 573600896 /nfs/dbraw/zinc/60/08/96/573600896.db2.gz YTPVKEDOYUCOQQ-LDWIPMOCSA-N 0 0 182.650 2.881 10 0 AFAERN C[C@]1(Cc2ccccc2)CCC1=O 238456712 573601275 /nfs/dbraw/zinc/60/12/75/573601275.db2.gz IZPCIELHNXIYON-GFCCVEGCSA-N 0 0 174.243 2.598 10 0 AFAERN OC/C=C/c1ccc(C(F)F)cc1 124717317 573600941 /nfs/dbraw/zinc/60/09/41/573600941.db2.gz LJCRVCGPUUFPIV-OWOJBTEDSA-N 0 0 184.185 2.630 10 0 AFAERN C[C@H](O)[C@@H](C)c1c[nH]c2ccccc12 238457061 573600949 /nfs/dbraw/zinc/60/09/49/573600949.db2.gz BAYRZSDJTJCCFH-BDAKNGLRSA-N 0 0 189.258 2.652 10 0 AFAERN Cc1ccc2c(c1)[C@H](C)C[C@@H]2O 238456615 573601023 /nfs/dbraw/zinc/60/10/23/573601023.db2.gz QJFSAMGKCDDMOX-KCJUWKMLSA-N 0 0 162.232 2.536 10 0 AFAERN C[C@H]1CC[C@H]1C(=O)Nc1ccccc1 238445918 573601065 /nfs/dbraw/zinc/60/10/65/573601065.db2.gz IKRSPOCEEQAIMO-GXSJLCMTSA-N 0 0 189.258 2.671 10 0 AFAERN CCc1sc(=O)[nH]c1CC(C)C 257835719 573601117 /nfs/dbraw/zinc/60/11/17/573601117.db2.gz KYCYDQVFXOEFDJ-UHFFFAOYSA-N 0 0 185.292 2.610 10 0 AFAERN Cc1ccc(C)c2c1CC(C)(C)[C@@H]2O 238457662 573601294 /nfs/dbraw/zinc/60/12/94/573601294.db2.gz FKSJATHFLOEDOG-GFCCVEGCSA-N 0 0 190.286 2.919 10 0 AFAERN C[C@H]1CC[C@H]2CC(=O)[C@@H]1C2(C)C 238446808 573603018 /nfs/dbraw/zinc/60/30/18/573603018.db2.gz IOOZUKJZXAKPEV-OYNCUSHFSA-N 0 0 166.264 2.648 10 0 AFAERN COc1sc(C(C)(C)C)nc1C 259137395 573601487 /nfs/dbraw/zinc/60/14/87/573601487.db2.gz CRJKGZHISSUMFZ-UHFFFAOYSA-N 0 0 185.292 2.758 10 0 AFAERN CC(=O)[C@@H]1CCC=C(C)[C@H]1C 238456574 573601488 /nfs/dbraw/zinc/60/14/88/573601488.db2.gz SSFHZBXBBDFQEB-PSASIEDQSA-N 0 0 152.237 2.568 10 0 AFAERN CC1=CC=C[C@]2(C)C(=O)C[C@H](C)[C@@H]12 238457114 573601498 /nfs/dbraw/zinc/60/14/98/573601498.db2.gz WGEMJPVXIUZKDO-MVWJERBFSA-N 0 0 176.259 2.734 10 0 AFAERN Nc1cc(F)c2ccc(F)cc2c1 259525786 573601586 /nfs/dbraw/zinc/60/15/86/573601586.db2.gz ATSKCWONANRIOX-UHFFFAOYSA-N 0 0 179.169 2.700 10 0 AFAERN CC[C@@H](C)[C@@H](CC1(C)CCCC1)NN 308649218 573606236 /nfs/dbraw/zinc/60/62/36/573606236.db2.gz JBCKOFFQMFHDSU-GHMZBOCLSA-N 0 0 198.354 2.835 10 0 AFAERN COc1c(N)ccc2ccc(C)cc12 259525547 573602702 /nfs/dbraw/zinc/60/27/02/573602702.db2.gz ASBXXKCZACSCGR-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN CCC(CC)Cn1cc(C)[nH]c1=S 130500469 573602737 /nfs/dbraw/zinc/60/27/37/573602737.db2.gz BLCOALGRDBSAPK-UHFFFAOYSA-N 0 0 198.335 2.916 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C)C[C@@H]2O 238445980 573602747 /nfs/dbraw/zinc/60/27/47/573602747.db2.gz QJFSAMGKCDDMOX-KWQFWETISA-N 0 0 162.232 2.536 10 0 AFAERN CCC(CC)Cn1c(C)c[nH]c1=S 130500067 573602751 /nfs/dbraw/zinc/60/27/51/573602751.db2.gz CFSWZZLIJWXKOO-UHFFFAOYSA-N 0 0 198.335 2.916 10 0 AFAERN C/C=C/C(=O)N[C@H]1CCCC[C@@H]1CC 86740708 573602783 /nfs/dbraw/zinc/60/27/83/573602783.db2.gz NZVLXZJQEKLARA-HFCJNZDQSA-N 0 0 195.306 2.648 10 0 AFAERN Cc1cc(SC2([NH3+])CC2)ccc1F 259140635 573602784 /nfs/dbraw/zinc/60/27/84/573602784.db2.gz DQYKUQSPIDHTHG-UHFFFAOYSA-N 0 0 197.278 2.675 10 0 AFAERN C[C@H]([NH3+])c1ccc2ccccc2c1F 238446162 573602800 /nfs/dbraw/zinc/60/28/00/573602800.db2.gz NPTXSPOXPUMAIF-QMMMGPOBSA-N 0 0 189.233 2.999 10 0 AFAERN CCCc1ccc([C@H](F)CO)cc1 257836444 573602805 /nfs/dbraw/zinc/60/28/05/573602805.db2.gz MFJKNFICQDNPMU-LLVKDONJSA-N 0 0 182.238 2.642 10 0 AFAERN C[C@@H]1CCCC2=C1CCC(=O)C2 238447025 573602915 /nfs/dbraw/zinc/60/29/15/573602915.db2.gz WMTNDZICDLDZGQ-MRVPVSSYSA-N 0 0 164.248 2.856 10 0 AFAERN CC(C)c1c[nH]c2cccc(N)c12 259527746 573602998 /nfs/dbraw/zinc/60/29/98/573602998.db2.gz AVQVFHPRTSBGRJ-UHFFFAOYSA-N 0 0 174.247 2.874 10 0 AFAERN CC1=C(CCCO)[C@H](C)CCC1 238446136 573603037 /nfs/dbraw/zinc/60/30/37/573603037.db2.gz ANGBTZLDDDHOPJ-SECBINFHSA-N 0 0 168.280 2.895 10 0 AFAERN CC(=O)[C@@H]1C=C[C@H](C)[C@@H]2C=CC[C@H]12 238446267 573603087 /nfs/dbraw/zinc/60/30/87/573603087.db2.gz HAJXTNTXXIZEII-VGDYDELISA-N 0 0 176.259 2.590 10 0 AFAERN C[C@H]1C[C@H](O)c2ccc(Cl)cc21 238445996 573603146 /nfs/dbraw/zinc/60/31/46/573603146.db2.gz YTPVKEDOYUCOQQ-WKEGUHRASA-N 0 0 182.650 2.881 10 0 AFAERN OC[C@H]1C[C@H]1c1ccc(C(F)F)cc1 124727663 573603252 /nfs/dbraw/zinc/60/32/52/573603252.db2.gz ADZRITQMRYKYSQ-ZJUUUORDSA-N 0 0 198.212 2.720 10 0 AFAERN OCc1ccccc1[C@H]1CCC1(F)F 258071222 573603322 /nfs/dbraw/zinc/60/33/22/573603322.db2.gz LMBKQGBDDPMVLU-SNVBAGLBSA-N 0 0 198.212 2.692 10 0 AFAERN C[Si](C)(C)[C@H]1c2ccccc2[C@H]1O 238447262 573603324 /nfs/dbraw/zinc/60/33/24/573603324.db2.gz JMTPADXLHCCEOB-MNOVXSKESA-N 0 0 192.334 2.695 10 0 AFAERN C[C@@H]1CC[C@@H]2[C@@H](C1)C(=S)NC2(C)C 224392983 573603548 /nfs/dbraw/zinc/60/35/48/573603548.db2.gz WOSDGSQXGMMLHZ-IWSPIJDZSA-N 0 0 197.347 2.748 10 0 AFAERN C[C@@H]1C[C@H](C(C)(C)C)CC1=O 238447108 573603614 /nfs/dbraw/zinc/60/36/14/573603614.db2.gz JQIFMQVCQPPLGS-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1C[C@H](O)c2c(O)ccc(Cl)c21 238445944 573603621 /nfs/dbraw/zinc/60/36/21/573603621.db2.gz YEQMPDICMFNSKH-XNCJUZBTSA-N 0 0 198.649 2.586 10 0 AFAERN CCCCCC[C@H]1NC(=O)C12CCC2 308646899 573603678 /nfs/dbraw/zinc/60/36/78/573603678.db2.gz HUTJWDJFPFXSCW-SNVBAGLBSA-N 0 0 195.306 2.626 10 0 AFAERN C[C@H](O)c1ccc(C2(C)CC2)cc1 238446551 573603734 /nfs/dbraw/zinc/60/37/34/573603734.db2.gz WAITZRCIIYBTLY-VIFPVBQESA-N 0 0 176.259 2.791 10 0 AFAERN C[C@H]1C=C[C@@]23CCC[C@@]12CC(=O)C3 238447233 573603929 /nfs/dbraw/zinc/60/39/29/573603929.db2.gz ARFHCSVRZUFDSS-MVWJERBFSA-N 0 0 176.259 2.712 10 0 AFAERN C[NH2+]CSc1ccc(C)c(C)c1 259140837 573604051 /nfs/dbraw/zinc/60/40/51/573604051.db2.gz DUEPLQFMQDJFJA-UHFFFAOYSA-N 0 0 181.304 2.572 10 0 AFAERN OC[C@H]1C[C@@H]1c1ccc(C(F)F)cc1 124727926 573604072 /nfs/dbraw/zinc/60/40/72/573604072.db2.gz ADZRITQMRYKYSQ-NXEZZACHSA-N 0 0 198.212 2.720 10 0 AFAERN C[C@H]1CNc2ccccc2CS1 238446726 573604185 /nfs/dbraw/zinc/60/41/85/573604185.db2.gz PRODAMXJPNAHAF-QMMMGPOBSA-N 0 0 179.288 2.734 10 0 AFAERN Cc1ccc(SC[NH2+]C2CC2)cc1 259140624 573604202 /nfs/dbraw/zinc/60/42/02/573604202.db2.gz DQQSFNZQSQOTPW-UHFFFAOYSA-N 0 0 193.315 2.797 10 0 AFAERN Cc1ccc2c(c1C)C(=O)[C@@H](C)CN2 238446476 573604347 /nfs/dbraw/zinc/60/43/47/573604347.db2.gz BYZBHZHKPPPBPG-QMMMGPOBSA-N 0 0 189.258 2.548 10 0 AFAERN C[C@@H]1CCCC2=C1CC(=O)CC2 238447000 573604602 /nfs/dbraw/zinc/60/46/02/573604602.db2.gz GKYYPFOZOBDLNH-MRVPVSSYSA-N 0 0 164.248 2.856 10 0 AFAERN Cc1ccc2cc([C@H](C)O)oc2c1 238446320 573604683 /nfs/dbraw/zinc/60/46/83/573604683.db2.gz XFQJVGLUDFVULG-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN C[C@H](O)c1cc2ccc(O)cc2s1 238446397 573604707 /nfs/dbraw/zinc/60/47/07/573604707.db2.gz UBUGHOHLINBANC-LURJTMIESA-N 0 0 194.255 2.660 10 0 AFAERN Cc1cc([C@H](C)C[C@H](C)O)cc(C)n1 238446672 573604734 /nfs/dbraw/zinc/60/47/34/573604734.db2.gz FYCUSSQMNCYYQU-KCJUWKMLSA-N 0 0 193.290 2.573 10 0 AFAERN CC(=O)[C@]12CCC[C@@H]1CC[C@@H]2C 238447335 573607605 /nfs/dbraw/zinc/60/76/05/573607605.db2.gz YAWKHSBJVFGSSM-JMJZKYOTSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CC[C@@H]2C(=O)CC[C@@]23C[C@@]13C 238447312 573604862 /nfs/dbraw/zinc/60/48/62/573604862.db2.gz MQTMQMDMQVZWPD-BSJXLVFVSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@H](O)c1cc2cc(F)c(F)cc2o1 238446281 573606281 /nfs/dbraw/zinc/60/62/81/573606281.db2.gz UGWBFMHOCONFKE-YFKPBYRVSA-N 0 0 198.168 2.764 10 0 AFAERN Cc1ccsc1NC(C)(C)CCO 258819381 573604870 /nfs/dbraw/zinc/60/48/70/573604870.db2.gz LLJYOADWIFKONH-UHFFFAOYSA-N 0 0 199.319 2.629 10 0 AFAERN OC[C@@H]1C[C@H]1c1ccc(C(F)F)cc1 124728201 573604920 /nfs/dbraw/zinc/60/49/20/573604920.db2.gz ADZRITQMRYKYSQ-UWVGGRQHSA-N 0 0 198.212 2.720 10 0 AFAERN C[C@@H]1Sc2cc(Cl)ccc2[C@@H]1[NH3+] 107435875 573604961 /nfs/dbraw/zinc/60/49/61/573604961.db2.gz DEFJVNNJLQIHNU-SSDLBLMSSA-N 0 0 199.706 2.834 10 0 AFAERN Cc1cccc2c1NC(C)(C)C=N2 238446548 573605024 /nfs/dbraw/zinc/60/50/24/573605024.db2.gz JHNYRLOCAHNEAX-UHFFFAOYSA-N 0 0 174.247 2.901 10 0 AFAERN C[C@@H]1CC[C@H]2[C@@H](C1)C(=S)NC2(C)C 224393063 573605106 /nfs/dbraw/zinc/60/51/06/573605106.db2.gz WOSDGSQXGMMLHZ-HLTSFMKQSA-N 0 0 197.347 2.748 10 0 AFAERN CC(=O)CC1=C[C@H](C)CCC1 238446279 573605131 /nfs/dbraw/zinc/60/51/31/573605131.db2.gz FDIYJJHOYLCYCV-MRVPVSSYSA-N 0 0 152.237 2.712 10 0 AFAERN C[C@@H]1CCCC2=C1CCC[C@H]2O 238447079 573605338 /nfs/dbraw/zinc/60/53/38/573605338.db2.gz PUJXWEDIINEOFV-LDYMZIIASA-N 0 0 166.264 2.648 10 0 AFAERN CCn1cc(C)c2cc(N)ccc21 96299048 573605395 /nfs/dbraw/zinc/60/53/95/573605395.db2.gz ZZMBAPMHYHSVCP-UHFFFAOYSA-N 0 0 174.247 2.552 10 0 AFAERN C[C@H]1CNc2ccccc2CSC1 238446747 573605406 /nfs/dbraw/zinc/60/54/06/573605406.db2.gz OQROVJPENKAYFK-VIFPVBQESA-N 0 0 193.315 2.981 10 0 AFAERN Clc1cnnc(C2CCCC2)c1 259525973 573605447 /nfs/dbraw/zinc/60/54/47/573605447.db2.gz SZZHEUCVTNJDNF-UHFFFAOYSA-N 0 0 182.654 2.788 10 0 AFAERN Cc1ccc2nc(Cl)cc(N)c2c1 259525528 573605557 /nfs/dbraw/zinc/60/55/57/573605557.db2.gz ARRZWZWDUBVZHT-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Cc1cccc2c1N=CC(C)(C)N2 238446872 573605574 /nfs/dbraw/zinc/60/55/74/573605574.db2.gz VBCWHCHJONXFPW-UHFFFAOYSA-N 0 0 174.247 2.901 10 0 AFAERN C[C@@H]1OCC[C@H]1CNc1ccccc1 86757481 573606307 /nfs/dbraw/zinc/60/63/07/573606307.db2.gz HCEQSZBCTDDPRC-QWRGUYRKSA-N 0 0 191.274 2.524 10 0 AFAERN C[C@H]1c2ccccc2-c2nc[nH]c21 238447134 573605672 /nfs/dbraw/zinc/60/56/72/573605672.db2.gz MLDCJTPARMTEEB-ZETCQYMHSA-N 0 0 170.215 2.542 10 0 AFAERN Cc1ccc(C)c2c1CCC=C[C@@H]2O 238457682 573605758 /nfs/dbraw/zinc/60/57/58/573605758.db2.gz WVXSLHBAZNIFSM-LBPRGKRZSA-N 0 0 188.270 2.839 10 0 AFAERN CC[C@H](C)[C@@H](CC1(C)CCCC1)NN 308649221 573605845 /nfs/dbraw/zinc/60/58/45/573605845.db2.gz JBCKOFFQMFHDSU-WDEREUQCSA-N 0 0 198.354 2.835 10 0 AFAERN C[C@H](O)c1ccc(C2CC2)s1 238446601 573605944 /nfs/dbraw/zinc/60/59/44/573605944.db2.gz VOHVNZKXPXQRHD-LURJTMIESA-N 0 0 168.261 2.679 10 0 AFAERN [N-]=[N+]=NC(=O)c1cscc1Cl 96234612 573605957 /nfs/dbraw/zinc/60/59/57/573605957.db2.gz ZMIWAZPZQZIKLU-UHFFFAOYSA-N 0 0 187.611 2.852 10 0 AFAERN C[C@H]1C=C[C@@]2(C)CCC[C@@H]1C2=O 238447145 573605976 /nfs/dbraw/zinc/60/59/76/573605976.db2.gz DDOUCULYJOWRML-ATZCPNFKSA-N 0 0 164.248 2.568 10 0 AFAERN C[C@H]1C=C[C@@H](C)[C@@H](C)C(=O)[C@@H]1C 238446443 573605999 /nfs/dbraw/zinc/60/59/99/573605999.db2.gz OOTFUOPBLAOKRN-UTINFBMNSA-N 0 0 166.264 2.670 10 0 AFAERN CCCc1ccccc1C(C)(C)CO 257836378 573606071 /nfs/dbraw/zinc/60/60/71/573606071.db2.gz MENQINQRJMIRNC-UHFFFAOYSA-N 0 0 192.302 2.909 10 0 AFAERN CC[C@H](C)[C@H](CC1(C)CCCC1)NN 308649220 573606138 /nfs/dbraw/zinc/60/61/38/573606138.db2.gz JBCKOFFQMFHDSU-QWRGUYRKSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1cc(N)c2c(C)occc1-2 238446521 573606191 /nfs/dbraw/zinc/60/61/91/573606191.db2.gz LYYOEJMTWLWUGP-UHFFFAOYSA-N 0 0 161.204 2.583 10 0 AFAERN C[C@H]1c2cc(O)ccc2OC1(C)C 238446637 573606195 /nfs/dbraw/zinc/60/61/95/573606195.db2.gz FWBKGTQRFDAJBL-ZETCQYMHSA-N 0 0 178.231 2.667 10 0 AFAERN CCC[C@H](O)c1ncc(Cl)s1 223189804 573606371 /nfs/dbraw/zinc/60/63/71/573606371.db2.gz XNJGUKZLSKSVGA-YFKPBYRVSA-N 0 0 191.683 2.630 10 0 AFAERN OC[C@@H]1C[C@@H]1c1ccc(C(F)F)cc1 124728413 573606383 /nfs/dbraw/zinc/60/63/83/573606383.db2.gz ADZRITQMRYKYSQ-VHSXEESVSA-N 0 0 198.212 2.720 10 0 AFAERN CCC[C@@H](O)c1ncc(Cl)s1 223189743 573606398 /nfs/dbraw/zinc/60/63/98/573606398.db2.gz XNJGUKZLSKSVGA-RXMQYKEDSA-N 0 0 191.683 2.630 10 0 AFAERN C[Si](C)(C)[C@H]1c2ccccc2[C@@H]1O 238447139 573606443 /nfs/dbraw/zinc/60/64/43/573606443.db2.gz JMTPADXLHCCEOB-QWRGUYRKSA-N 0 0 192.334 2.695 10 0 AFAERN COc1cccc2c1SCCCN2 259140193 573606455 /nfs/dbraw/zinc/60/64/55/573606455.db2.gz HENOJPFEAIPUFD-UHFFFAOYSA-N 0 0 195.287 2.603 10 0 AFAERN Cc1ccc(C(F)(F)F)c(C)c1N 238446379 573606478 /nfs/dbraw/zinc/60/64/78/573606478.db2.gz JJYVKSPDIDCPMV-UHFFFAOYSA-N 0 0 189.180 2.904 10 0 AFAERN O=C(CC1CCCC1)[C@H]1CCCOC1 83720427 573608667 /nfs/dbraw/zinc/60/86/67/573608667.db2.gz HEXLXAWBHRHEQA-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN CCc1cc(CCCO)c(C)cc1F 258067538 573608634 /nfs/dbraw/zinc/60/86/34/573608634.db2.gz MAZNMVDCEMYMRB-UHFFFAOYSA-N 0 0 196.265 2.621 10 0 AFAERN Cc1cccc2c1[C@@H](O)CC(C)(C)O2 238447512 573607535 /nfs/dbraw/zinc/60/75/35/573607535.db2.gz JRUFELHJOXQWSZ-VIFPVBQESA-N 0 0 192.258 2.590 10 0 AFAERN C[C@H]1OCC[C@H]1CNc1ccccc1 86757479 573607580 /nfs/dbraw/zinc/60/75/80/573607580.db2.gz HCEQSZBCTDDPRC-MNOVXSKESA-N 0 0 191.274 2.524 10 0 AFAERN C[C@@H](O)Cc1ccc(C2CCC2)cc1 258067535 573608656 /nfs/dbraw/zinc/60/86/56/573608656.db2.gz MAWKQMVOBPQZJC-SNVBAGLBSA-N 0 0 190.286 2.877 10 0 AFAERN C[C@@H](O)c1cc2cccc(Cl)c2[nH]1 83724308 573607594 /nfs/dbraw/zinc/60/75/94/573607594.db2.gz XEFPTEOXTBZSJC-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN O=C1C[C@@H](C2CCCCCC2)CO1 257837037 573607646 /nfs/dbraw/zinc/60/76/46/573607646.db2.gz LFLDRIRTTKJSJL-SNVBAGLBSA-N 0 0 182.263 2.520 10 0 AFAERN O=C1C[C@H](C2CCCCCC2)CO1 257837036 573607697 /nfs/dbraw/zinc/60/76/97/573607697.db2.gz LFLDRIRTTKJSJL-JTQLQIEISA-N 0 0 182.263 2.520 10 0 AFAERN C[C@@H]1CCCCC/C1=C\CO 238448251 573607771 /nfs/dbraw/zinc/60/77/71/573607771.db2.gz WYSJZCUODFRYNP-YIXGCBLDSA-N 0 0 154.253 2.505 10 0 AFAERN CC[C@H](O)C(F)(F)c1ccccc1 142756477 573607802 /nfs/dbraw/zinc/60/78/02/573607802.db2.gz RUTJIJABEYUZOX-VIFPVBQESA-N 0 0 186.201 2.549 10 0 AFAERN C[C@@H]1C(=O)C2C[C@@H]3CC1C[C@H](C2)C3 238447437 573607820 /nfs/dbraw/zinc/60/78/20/573607820.db2.gz NXKIPUOPTLOGDJ-OFFIBQFASA-N 0 0 178.275 2.648 10 0 AFAERN Cc1cc(C(C)(C)C)c(C=O)o1 75547372 573607823 /nfs/dbraw/zinc/60/78/23/573607823.db2.gz UOLYVPYUHJWFSB-UHFFFAOYSA-N 0 0 166.220 2.698 10 0 AFAERN Cc1nc2ccccc2n1CC(F)F 86755402 573607836 /nfs/dbraw/zinc/60/78/36/573607836.db2.gz ZHUUMKFJZYUBQD-UHFFFAOYSA-N 0 0 196.200 2.610 10 0 AFAERN S=c1[nH]cc(-c2cccnc2)s1 142709852 573607889 /nfs/dbraw/zinc/60/78/89/573607889.db2.gz NQFNTOFXAGOATP-UHFFFAOYSA-N 0 0 194.284 2.868 10 0 AFAERN Cc1cc(C)c2cc([C@@H](C)O)[nH]c2c1 83724377 573607924 /nfs/dbraw/zinc/60/79/24/573607924.db2.gz CEMHEHVELSOLKO-SECBINFHSA-N 0 0 189.258 2.838 10 0 AFAERN CC(C)Cc1noc2cc(O)ccc12 257837319 573607949 /nfs/dbraw/zinc/60/79/49/573607949.db2.gz KYSMXMAXSZARRA-UHFFFAOYSA-N 0 0 191.230 2.732 10 0 AFAERN C[C@H]1CCC[C@@H](C)C12CC(=O)C2 238447353 573608060 /nfs/dbraw/zinc/60/80/60/573608060.db2.gz PBSPWWVEYCSVEM-DTORHVGOSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)(Cc1ccccc1Cl)ON 259527121 573608075 /nfs/dbraw/zinc/60/80/75/573608075.db2.gz UCBXUJUNJHITBS-UHFFFAOYSA-N 0 0 199.681 2.551 10 0 AFAERN Cc1ccc2[nH]c(C)c([C@H](C)O)c2c1 83724223 573608101 /nfs/dbraw/zinc/60/81/01/573608101.db2.gz VYLOYXPIQQKLFV-VIFPVBQESA-N 0 0 189.258 2.838 10 0 AFAERN Cc1cc(F)cc2cc([C@@H](C)O)[nH]c12 83724548 573608146 /nfs/dbraw/zinc/60/81/46/573608146.db2.gz KECGLJIHHJVMBF-SSDOTTSWSA-N 0 0 193.221 2.669 10 0 AFAERN OCc1ccc([C@@H]2CCC[C@H]2F)cc1 259528189 573608202 /nfs/dbraw/zinc/60/82/02/573608202.db2.gz AXQPCJLTQISQEB-NWDGAFQWSA-N 0 0 194.249 2.785 10 0 AFAERN Cc1ccc(C(F)F)nc1C 238448221 573608237 /nfs/dbraw/zinc/60/82/37/573608237.db2.gz BKYWZUHKDDQBNU-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN COCc1c(C)[nH]c2ccc(F)cc12 83728683 573608287 /nfs/dbraw/zinc/60/82/87/573608287.db2.gz ZABBCJYVGQZXMZ-UHFFFAOYSA-N 0 0 193.221 2.762 10 0 AFAERN Cc1ccc2[nH]c([C@H](C)O)cc2c1 83724229 573608298 /nfs/dbraw/zinc/60/82/98/573608298.db2.gz DFNQSUCASKLQRE-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN C(=C/c1ccco1)\c1ccc[nH]1 142780906 573608355 /nfs/dbraw/zinc/60/83/55/573608355.db2.gz KDDIONGKTFPPOI-AATRIKPKSA-N 0 0 159.188 2.778 10 0 AFAERN C[C@@H]1CC[C@]2(C)C(=O)CC[C@@H]2C1 238447436 573608396 /nfs/dbraw/zinc/60/83/96/573608396.db2.gz QRQOTMNSRFCFNM-KKZNHRDASA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccc2[nH]c(C)c([C@@H](C)O)c2c1 83724220 573608399 /nfs/dbraw/zinc/60/83/99/573608399.db2.gz VYLOYXPIQQKLFV-SECBINFHSA-N 0 0 189.258 2.838 10 0 AFAERN CC(=O)[C@H]1C=C[C@H](C)[C@@H]2C=CC[C@@H]21 238447392 573608404 /nfs/dbraw/zinc/60/84/04/573608404.db2.gz HAJXTNTXXIZEII-IXLVHKGHSA-N 0 0 176.259 2.590 10 0 AFAERN Cc1ccc(C2CCC(=O)CC2)o1 259126259 573608452 /nfs/dbraw/zinc/60/84/52/573608452.db2.gz GQYFJTGBFBOVCX-UHFFFAOYSA-N 0 0 178.231 2.815 10 0 AFAERN C[Si](C)(C)[C@@H]1Cc2ccccc2N1 238447496 573608572 /nfs/dbraw/zinc/60/85/72/573608572.db2.gz RJXSYDZQDCJMSV-LLVKDONJSA-N 0 0 191.350 2.901 10 0 AFAERN Cc1cc2cc(F)cc(F)c2[nH]1 83728568 573608574 /nfs/dbraw/zinc/60/85/74/573608574.db2.gz JZVFBVHVXMIVTB-UHFFFAOYSA-N 0 0 167.158 2.755 10 0 in-vitro AFAERN O=C(C1CCCCC1)[C@@H]1CCCOC1 83720492 573608699 /nfs/dbraw/zinc/60/86/99/573608699.db2.gz OBTSYQZRCUUWLQ-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN Cc1[nH]c2ccc(F)cc2c1[C@H](C)O 83724074 573608754 /nfs/dbraw/zinc/60/87/54/573608754.db2.gz DZYHPBSQENJAOO-ZETCQYMHSA-N 0 0 193.221 2.669 10 0 AFAERN CCC[C@@H](C)CC(=O)C1CCOCC1 83719180 573608769 /nfs/dbraw/zinc/60/87/69/573608769.db2.gz VEIOTRJYGYQSCI-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN C[C@@]12CC[C@]3(C1)C(=O)CCC[C@@H]23 238447849 573608801 /nfs/dbraw/zinc/60/88/01/573608801.db2.gz HWCJVAALQJDIGS-JMJZKYOTSA-N 0 0 164.248 2.546 10 0 AFAERN Cc1ccc(C)c2[nH]c([C@@H](C)O)cc12 83724260 573608830 /nfs/dbraw/zinc/60/88/30/573608830.db2.gz DSHVWVOXLWPTCY-SECBINFHSA-N 0 0 189.258 2.838 10 0 AFAERN CC(=O)CCNc1ccc(F)c(C)c1 258820921 573608843 /nfs/dbraw/zinc/60/88/43/573608843.db2.gz AACROLIIIIUOBT-UHFFFAOYSA-N 0 0 195.237 2.525 10 0 AFAERN Cc1cccc(N[C@@H](C)C(C)(C)O)c1 83724636 573608860 /nfs/dbraw/zinc/60/88/60/573608860.db2.gz BAGPIXNSHGJFHW-JTQLQIEISA-N 0 0 193.290 2.566 10 0 AFAERN C=COc1ccccc1CC 78760064 573608959 /nfs/dbraw/zinc/60/89/59/573608959.db2.gz ICPSXVYJNIWOLW-UHFFFAOYSA-N 0 0 148.205 2.771 10 0 AFAERN OCc1ccc([C@H]2CCC[C@@H]2F)cc1 259528179 573608997 /nfs/dbraw/zinc/60/89/97/573608997.db2.gz AXQPCJLTQISQEB-NEPJUHHUSA-N 0 0 194.249 2.785 10 0 AFAERN CC(=O)c1cc2cc(F)cc(C)c2[nH]1 83722911 573609030 /nfs/dbraw/zinc/60/90/30/573609030.db2.gz ILPUNDPURWFSMH-UHFFFAOYSA-N 0 0 191.205 2.818 10 0 AFAERN Cc1ccccc1N[C@H](C)C(C)(C)O 83725285 573609095 /nfs/dbraw/zinc/60/90/95/573609095.db2.gz YTSSMGKZXNKUQF-SNVBAGLBSA-N 0 0 193.290 2.566 10 0 AFAERN C[C@@H]1CC[C@@]2(CC2(C)C)C(=O)C1 238447456 573609145 /nfs/dbraw/zinc/60/91/45/573609145.db2.gz YCOCPBNRGBQONT-LDYMZIIASA-N 0 0 166.264 2.792 10 0 AFAERN COC[C@@H](C)Cc1ccccc1 96346809 573609146 /nfs/dbraw/zinc/60/91/46/573609146.db2.gz YRELUSXNOZNOQI-JTQLQIEISA-N 0 0 164.248 2.512 10 0 AFAERN c1ccc(NCCc2ccco2)cc1 142736549 573609159 /nfs/dbraw/zinc/60/91/59/573609159.db2.gz SKDHXQFYGHXRAF-UHFFFAOYSA-N 0 0 187.242 2.934 10 0 AFAERN Cc1ccc(C(F)F)nc1CF 238448457 573609164 /nfs/dbraw/zinc/60/91/64/573609164.db2.gz VOUWJCWBTRSVER-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN COC(=O)CC[C@@H]1CCC[C@@H](C)C1 259527210 573609190 /nfs/dbraw/zinc/60/91/90/573609190.db2.gz DWTGHJUYLMQIPR-ZJUUUORDSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)c1oc(CO)nc1C(C)(C)C 257837379 573609195 /nfs/dbraw/zinc/60/91/95/573609195.db2.gz LBRORZKWVDXQPU-UHFFFAOYSA-N 0 0 197.278 2.588 10 0 AFAERN O=C(CC1CCCC1)[C@@H]1CCCOC1 83720426 573609206 /nfs/dbraw/zinc/60/92/06/573609206.db2.gz HEXLXAWBHRHEQA-LLVKDONJSA-N 0 0 196.290 2.562 10 0 AFAERN c1c[nH]c(-c2ccc3ocnc3c2)c1 142709022 573609248 /nfs/dbraw/zinc/60/92/48/573609248.db2.gz OVASZOXABAOLSX-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN CC1=CC[C@@H](C[C@@H](C)NC=O)C1(C)C 238447446 573609271 /nfs/dbraw/zinc/60/92/71/573609271.db2.gz SPYRBIFTKGSILP-MNOVXSKESA-N 0 0 195.306 2.503 10 0 AFAERN C[C@H](O)Cc1ccc(C2CCC2)cc1 258067533 573609275 /nfs/dbraw/zinc/60/92/75/573609275.db2.gz MAWKQMVOBPQZJC-JTQLQIEISA-N 0 0 190.286 2.877 10 0 AFAERN O=C(CC1CCCC1)C1CCOCC1 83719102 573609290 /nfs/dbraw/zinc/60/92/90/573609290.db2.gz RFSQJORLMRFJCD-UHFFFAOYSA-N 0 0 196.290 2.562 10 0 AFAERN CC(C)(O)c1ccc2c(c1)CCS2 258070161 573609293 /nfs/dbraw/zinc/60/92/93/573609293.db2.gz MCHKGLKGCBUYJT-UHFFFAOYSA-N 0 0 194.299 2.562 10 0 AFAERN CC(C)(O)c1cc2[nH]ccc2cc1F 258067470 573609344 /nfs/dbraw/zinc/60/93/44/573609344.db2.gz LZKFPIODUFJWHZ-UHFFFAOYSA-N 0 0 193.221 2.534 10 0 AFAERN Cc1ccc(C(F)F)c(CF)n1 238447702 573609349 /nfs/dbraw/zinc/60/93/49/573609349.db2.gz LKZPKRFEYKVTAD-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN Cc1cccc(Oc2cnoc2)c1 258821302 573609368 /nfs/dbraw/zinc/60/93/68/573609368.db2.gz YSLYRTZILQTZPK-UHFFFAOYSA-N 0 0 175.187 2.775 10 0 AFAERN CC1=CC[C@@H]2C(=O)[C@@H](C)CC[C@@H]2C1 238447536 573609450 /nfs/dbraw/zinc/60/94/50/573609450.db2.gz UOMUARXNRLKACB-AXFHLTTASA-N 0 0 178.275 2.958 10 0 AFAERN CC(=O)c1cc2cc(F)cc(F)c2[nH]1 83722910 573609502 /nfs/dbraw/zinc/60/95/02/573609502.db2.gz XNGLWTLHLFRNBY-UHFFFAOYSA-N 0 0 195.168 2.649 10 0 AFAERN Cc1cccc2c3c([nH]c12)CCOC3 83728619 573609516 /nfs/dbraw/zinc/60/95/16/573609516.db2.gz MEMIFZJZIWKSIQ-UHFFFAOYSA-N 0 0 187.242 2.549 10 0 AFAERN C[C@H]1OCC[C@@H]1CNc1ccccc1 86757484 573609633 /nfs/dbraw/zinc/60/96/33/573609633.db2.gz HCEQSZBCTDDPRC-GHMZBOCLSA-N 0 0 191.274 2.524 10 0 AFAERN OCc1ccc([C@H]2CCC[C@H]2F)cc1 259528233 573609655 /nfs/dbraw/zinc/60/96/55/573609655.db2.gz AXQPCJLTQISQEB-VXGBXAGGSA-N 0 0 194.249 2.785 10 0 AFAERN OCCCc1ccc(C(F)F)cc1 258067346 573609711 /nfs/dbraw/zinc/60/97/11/573609711.db2.gz LWRYFYKVURBFIF-UHFFFAOYSA-N 0 0 186.201 2.549 10 0 AFAERN Cc1ccc(C(F)F)nc1Cl 238448516 573609721 /nfs/dbraw/zinc/60/97/21/573609721.db2.gz CPNZWMNJZHLUFQ-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN Cc1cc(F)cc2cc([C@H](C)O)[nH]c12 83724552 573609734 /nfs/dbraw/zinc/60/97/34/573609734.db2.gz KECGLJIHHJVMBF-ZETCQYMHSA-N 0 0 193.221 2.669 10 0 AFAERN Cc1[nH]c2c(F)cccc2c1[C@@H](C)O 83724150 573610452 /nfs/dbraw/zinc/61/04/52/573610452.db2.gz GWXWUNQJQLCUKO-SSDOTTSWSA-N 0 0 193.221 2.669 10 0 AFAERN CCn1c(C)cc2cccc(O)c21 259527991 573610469 /nfs/dbraw/zinc/61/04/69/573610469.db2.gz AXFMUEVFXOOSHR-UHFFFAOYSA-N 0 0 175.231 2.675 10 0 AFAERN Cc1ccc(C)c2c3c([nH]c12)CCC3=O 83722976 573610993 /nfs/dbraw/zinc/61/09/93/573610993.db2.gz NHPWDDFEOJLJJP-UHFFFAOYSA-N 0 0 199.253 2.914 10 0 AFAERN CCc1c(Cl)ccc(C)c1N 142772502 573611005 /nfs/dbraw/zinc/61/10/05/573611005.db2.gz CVJILKGDBASPAT-UHFFFAOYSA-N 0 0 169.655 2.793 10 0 AFAERN Cc1[nH]c2c(C)cccc2c1[C@@H](C)O 83724004 573610546 /nfs/dbraw/zinc/61/05/46/573610546.db2.gz UCLKINCFDRWYIW-SECBINFHSA-N 0 0 189.258 2.838 10 0 AFAERN Cc1ccccc1N[C@@H](C)C(C)(C)O 83725281 573610616 /nfs/dbraw/zinc/61/06/16/573610616.db2.gz YTSSMGKZXNKUQF-JTQLQIEISA-N 0 0 193.290 2.566 10 0 AFAERN Cc1cccc2c1[C@@H](CCO)CCC2 257837405 573610631 /nfs/dbraw/zinc/61/06/31/573610631.db2.gz LCSSABAOAIKVRI-GFCCVEGCSA-N 0 0 190.286 2.797 10 0 AFAERN Cc1cc(C)c2c3c([nH]c2c1)CCC3=O 83722981 573610634 /nfs/dbraw/zinc/61/06/34/573610634.db2.gz GMDOMKIAFLLFKM-UHFFFAOYSA-N 0 0 199.253 2.914 10 0 AFAERN Cc1ccc([C@@H](C)F)cc1C[C@H](C)O 258067372 573610682 /nfs/dbraw/zinc/61/06/82/573610682.db2.gz LWYZLNCAQZNBIF-VHSXEESVSA-N 0 0 196.265 2.949 10 0 AFAERN Cc1[nH]c2c(C)cccc2c1[C@H](C)O 83724009 573610743 /nfs/dbraw/zinc/61/07/43/573610743.db2.gz UCLKINCFDRWYIW-VIFPVBQESA-N 0 0 189.258 2.838 10 0 AFAERN C[C@H](O)C[C@@H]1CCCCCCCC1=O 238448003 573610754 /nfs/dbraw/zinc/61/07/54/573610754.db2.gz UPZRJICRHJLAEK-QWRGUYRKSA-N 0 0 198.306 2.687 10 0 AFAERN COC(=O)CC[C@H]1CCC[C@@H](C)C1 259527207 573610834 /nfs/dbraw/zinc/61/08/34/573610834.db2.gz DWTGHJUYLMQIPR-NXEZZACHSA-N 0 0 184.279 2.766 10 0 AFAERN Cc1cc(C)c2[nH]c3c(c2c1)C(=O)CC3 83722980 573610886 /nfs/dbraw/zinc/61/08/86/573610886.db2.gz CIAQICQPXCESKC-UHFFFAOYSA-N 0 0 199.253 2.914 10 0 AFAERN C[C@H]1C=Cc2c(O)cccc21 238448425 573610914 /nfs/dbraw/zinc/61/09/14/573610914.db2.gz UUKJRBLRHPBDJZ-ZETCQYMHSA-N 0 0 146.189 2.523 10 0 AFAERN Cc1cccc2cc([C@@H](C)O)[nH]c12 83724010 573610915 /nfs/dbraw/zinc/61/09/15/573610915.db2.gz ORRYTNDBSWBYOC-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN Cc1[nH]c2ccc(F)cc2c1[C@@H](C)O 83724071 573610937 /nfs/dbraw/zinc/61/09/37/573610937.db2.gz DZYHPBSQENJAOO-SSDOTTSWSA-N 0 0 193.221 2.669 10 0 AFAERN Cc1[nH]c2c(C)ccc(C)c2c1CO 83729153 573612083 /nfs/dbraw/zinc/61/20/83/573612083.db2.gz GIRONHSXFZWLSJ-UHFFFAOYSA-N 0 0 189.258 2.585 10 0 AFAERN Cc1cc(C)c2c(CO)c(C)[nH]c2c1 83729161 573612297 /nfs/dbraw/zinc/61/22/97/573612297.db2.gz BUEJEWGHONWCLK-UHFFFAOYSA-N 0 0 189.258 2.585 10 0 AFAERN Cc1[nH]c2c(F)cc(F)cc2c1C=O 83729125 573612304 /nfs/dbraw/zinc/61/23/04/573612304.db2.gz JIFUALOIEMHMNZ-UHFFFAOYSA-N 0 0 195.168 2.567 10 0 AFAERN Cc1[nH]c2c(C)cc(F)cc2c1C=O 83729126 573612413 /nfs/dbraw/zinc/61/24/13/573612413.db2.gz OPEGCLAQUQILCX-UHFFFAOYSA-N 0 0 191.205 2.736 10 0 AFAERN COC[C@H](C)Cc1ccccc1 96346811 573611982 /nfs/dbraw/zinc/61/19/82/573611982.db2.gz YRELUSXNOZNOQI-SNVBAGLBSA-N 0 0 164.248 2.512 10 0 AFAERN COCc1c(C)[nH]c2c(F)cccc12 83728745 573612100 /nfs/dbraw/zinc/61/21/00/573612100.db2.gz CTNFEICSEAGJFC-UHFFFAOYSA-N 0 0 193.221 2.762 10 0 AFAERN C[C@@H]1CCCCC[C@@](C)(C(N)=O)CC1 238449372 573612104 /nfs/dbraw/zinc/61/21/04/573612104.db2.gz YEJCQOFBGPGAIQ-ZYHUDNBSSA-N 0 0 197.322 2.858 10 0 AFAERN Cc1[nH]c2c(Cl)cccc2c1CO 83729155 573612228 /nfs/dbraw/zinc/61/22/28/573612228.db2.gz NEMBNHUSSHWEDI-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CCN(C)c1ccc2nc(C)oc2c1 259129046 573612282 /nfs/dbraw/zinc/61/22/82/573612282.db2.gz QNSXJPPMZJYMFT-UHFFFAOYSA-N 0 0 190.246 2.592 10 0 AFAERN COCc1c(C)[nH]c2ccc(C)cc12 83728824 573612435 /nfs/dbraw/zinc/61/24/35/573612435.db2.gz MOIJRSNPINMRFP-UHFFFAOYSA-N 0 0 189.258 2.931 10 0 AFAERN Cc1cccc2c1CCC[C@@H]2CCO 238448839 573612490 /nfs/dbraw/zinc/61/24/90/573612490.db2.gz BTAOUYDYKYAJOL-LLVKDONJSA-N 0 0 190.286 2.797 10 0 AFAERN Cc1cccc2c1CCC[C@H]2CCO 238449858 573612532 /nfs/dbraw/zinc/61/25/32/573612532.db2.gz BTAOUYDYKYAJOL-NSHDSACASA-N 0 0 190.286 2.797 10 0 AFAERN C[C@H]1CCC[C@@H](CC(C)(C)C(N)=O)C1 238449565 573612566 /nfs/dbraw/zinc/61/25/66/573612566.db2.gz XFWCLJIHDCRDCX-VHSXEESVSA-N 0 0 197.322 2.714 10 0 AFAERN Fc1ccc(SCNC2CC2)cc1 259125944 573612684 /nfs/dbraw/zinc/61/26/84/573612684.db2.gz CLVSULFLFOLLCH-UHFFFAOYSA-N 0 0 197.278 2.627 10 0 AFAERN CCc1c(C)sc(C)c1C=O 75557073 573612693 /nfs/dbraw/zinc/61/26/93/573612693.db2.gz QIDOCFZXIKRHMD-UHFFFAOYSA-N 0 0 168.261 2.740 10 0 AFAERN COCc1cc2c(Cl)cccc2[nH]1 258068066 573612706 /nfs/dbraw/zinc/61/27/06/573612706.db2.gz PPVZHHDDRKCSQU-UHFFFAOYSA-N 0 0 195.649 2.968 10 0 AFAERN CCCC[C@H](O)c1csc(C)n1 126615758 573612722 /nfs/dbraw/zinc/61/27/22/573612722.db2.gz MKBIINXKCSFMQQ-VIFPVBQESA-N 0 0 185.292 2.675 10 0 AFAERN Cc1ccc([C@@H](C)F)cc1C[C@@H](C)O 258067366 573612742 /nfs/dbraw/zinc/61/27/42/573612742.db2.gz LWYZLNCAQZNBIF-NXEZZACHSA-N 0 0 196.265 2.949 10 0 AFAERN Cc1ccc([C@H](C)F)cc1C[C@@H](C)O 258067376 573612783 /nfs/dbraw/zinc/61/27/83/573612783.db2.gz LWYZLNCAQZNBIF-ZJUUUORDSA-N 0 0 196.265 2.949 10 0 AFAERN CCCC[C@@H](O)c1csc(C)n1 126615985 573612830 /nfs/dbraw/zinc/61/28/30/573612830.db2.gz MKBIINXKCSFMQQ-SECBINFHSA-N 0 0 185.292 2.675 10 0 AFAERN C[C@H]1[C@@H](O)CCCCC1(C)C 238449055 573612838 /nfs/dbraw/zinc/61/28/38/573612838.db2.gz KLSTVFZYGMEELP-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)(F)c1ccc(CCCO)cc1 258067348 573612841 /nfs/dbraw/zinc/61/28/41/573612841.db2.gz LWWWSPPUYTWECM-UHFFFAOYSA-N 0 0 196.265 2.816 10 0 AFAERN OC1(Cc2cccc(C(F)F)c2)CC1 258070193 573613898 /nfs/dbraw/zinc/61/38/98/573613898.db2.gz MDWBTNPWLXJRNO-UHFFFAOYSA-N 0 0 198.212 2.692 10 0 AFAERN CC(C)OCc1cnc(Cl)s1 86777278 573613744 /nfs/dbraw/zinc/61/37/44/573613744.db2.gz WCBZJCQMCYSDEO-UHFFFAOYSA-N 0 0 191.683 2.722 10 0 AFAERN C[C@@H]1Nc2cccc(F)c2[C@@H]1C 107456864 573613816 /nfs/dbraw/zinc/61/38/16/573613816.db2.gz ZIMOPVJXEZRKNQ-RQJHMYQMSA-N 0 0 165.211 2.743 10 0 AFAERN CCCNc1cccc(Cl)c1N 96379069 573617971 /nfs/dbraw/zinc/61/79/71/573617971.db2.gz UNWYDMCQROKALA-UHFFFAOYSA-N 0 0 184.670 2.744 10 0 AFAERN C[C@@H]1Nc2cc(F)ccc2[C@H]1C 107456854 573618311 /nfs/dbraw/zinc/61/83/11/573618311.db2.gz JPHDVZZEALDMMO-BQBZGAKWSA-N 0 0 165.211 2.743 10 0 AFAERN Cc1ccc2c(c1)[nH]c1c(N)nccc12 257837558 573615042 /nfs/dbraw/zinc/61/50/42/573615042.db2.gz ATMXIPRNJREXED-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN CC(C)(C)[C@@](C)(O)C1CCCC1 96373572 573614739 /nfs/dbraw/zinc/61/47/39/573614739.db2.gz CVOBGZDCSYAILD-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN C[Si](C)(C)[C@H]1CCC(=O)C1 238449279 573614752 /nfs/dbraw/zinc/61/47/52/573614752.db2.gz KDXYKIIISLLPBK-QMMMGPOBSA-N 0 0 156.301 2.931 10 0 AFAERN CC[C@@H](C)C[C@@H](O)c1csc(C)n1 126651822 573614759 /nfs/dbraw/zinc/61/47/59/573614759.db2.gz DUIHWVHGCXJTLG-GMSGAONNSA-N 0 0 199.319 2.921 10 0 AFAERN Cc1cc([C@@H](C)C[C@H](C)O)cc(C)n1 238449383 573614869 /nfs/dbraw/zinc/61/48/69/573614869.db2.gz FYCUSSQMNCYYQU-KWQFWETISA-N 0 0 193.290 2.573 10 0 AFAERN CC[C@@H](O)c1ccccc1SC 96378885 573614928 /nfs/dbraw/zinc/61/49/28/573614928.db2.gz TURGIWDQPXZXEY-SECBINFHSA-N 0 0 182.288 2.852 10 0 AFAERN C[Si](C)(C)[C@H]1CCCC=C1CO 238449351 573614949 /nfs/dbraw/zinc/61/49/49/573614949.db2.gz GBYWBMSNIUHZPN-JTQLQIEISA-N 0 0 184.355 2.797 10 0 AFAERN CCC[C@@H](C)c1csc(N)n1 96378676 573614965 /nfs/dbraw/zinc/61/49/65/573614965.db2.gz BCMONMDJIAMNJW-ZCFIWIBFSA-N 0 0 170.281 2.629 10 0 AFAERN C[Si](C)(C)[C@H](O)c1cccs1 238449127 573614987 /nfs/dbraw/zinc/61/49/87/573614987.db2.gz DPVYZYNXZQNQCA-QMMMGPOBSA-N 0 0 186.352 2.659 10 0 AFAERN CC1(C)C(c2csc(N)n2)C1(C)C 96378686 573614998 /nfs/dbraw/zinc/61/49/98/573614998.db2.gz JWKMFEZXCXIIMF-UHFFFAOYSA-N 0 0 196.319 2.875 10 0 AFAERN CC[C@@H]1CNc2cccc(F)c21 107456866 573615130 /nfs/dbraw/zinc/61/51/30/573615130.db2.gz VJXNDNFPQJOYGD-SSDOTTSWSA-N 0 0 165.211 2.745 10 0 AFAERN CCC(CC)CNC(=O)OC(C)C 130592209 573615187 /nfs/dbraw/zinc/61/51/87/573615187.db2.gz JMLUQONLWOPLKK-UHFFFAOYSA-N 0 0 187.283 2.557 10 0 AFAERN C[C@H](O)Cc1cccc([C@H](C)F)c1 258070300 573615197 /nfs/dbraw/zinc/61/51/97/573615197.db2.gz MGHXXIBUMLSSJN-IUCAKERBSA-N 0 0 182.238 2.640 10 0 AFAERN C[C@@H](O)Cc1cccc([C@@H](C)F)c1 258070301 573615322 /nfs/dbraw/zinc/61/53/22/573615322.db2.gz MGHXXIBUMLSSJN-RKDXNWHRSA-N 0 0 182.238 2.640 10 0 AFAERN CC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 96379028 573615399 /nfs/dbraw/zinc/61/53/99/573615399.db2.gz WYRXXXHYERBZPB-SFYZADRCSA-N 0 0 194.196 2.944 10 0 AFAERN CO[C@H]1CCC[C@@H]1CCC(=O)C(C)C 308642810 573615450 /nfs/dbraw/zinc/61/54/50/573615450.db2.gz FAJDAYINHWMLFA-PWSUYJOCSA-N 0 0 198.306 2.807 10 0 AFAERN O=C1CCOC[C@@H]1CC1CCCCC1 236412551 573615452 /nfs/dbraw/zinc/61/54/52/573615452.db2.gz URNGXYSFCCQSRE-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN Cc1ccc(C)c2c1NC[C@@H]2C 107456367 573615487 /nfs/dbraw/zinc/61/54/87/573615487.db2.gz YLNXYLBGZPCGGM-VIFPVBQESA-N 0 0 161.248 2.832 10 0 AFAERN C[C@H]1Nc2cc(F)ccc2[C@H]1C 107456848 573615505 /nfs/dbraw/zinc/61/55/05/573615505.db2.gz JPHDVZZEALDMMO-NKWVEPMBSA-N 0 0 165.211 2.743 10 0 AFAERN C[C@@H]1Nc2cccc(F)c2[C@H]1C 107456862 573615547 /nfs/dbraw/zinc/61/55/47/573615547.db2.gz ZIMOPVJXEZRKNQ-BQBZGAKWSA-N 0 0 165.211 2.743 10 0 AFAERN CCC[C@H](C)c1csc(N)n1 96378677 573615562 /nfs/dbraw/zinc/61/55/62/573615562.db2.gz BCMONMDJIAMNJW-LURJTMIESA-N 0 0 170.281 2.629 10 0 AFAERN C[C@@H](Cc1csc(N)n1)C(C)(C)C 96378829 573615611 /nfs/dbraw/zinc/61/56/11/573615611.db2.gz CVKGKZYAUDFOJO-ZETCQYMHSA-N 0 0 198.335 2.950 10 0 AFAERN CC(=O)[C@H]1[C@H]2c3ccccc3CC[C@H]21 96373470 573616465 /nfs/dbraw/zinc/61/64/65/573616465.db2.gz KTDQFGNJORJDJQ-XQQFMLRXSA-N 0 0 186.254 2.551 10 0 AFAERN CC(=O)c1cccc([C@H]2C[C@H]2F)c1 259530807 573617973 /nfs/dbraw/zinc/61/79/73/573617973.db2.gz BCSDXRGOGSVUGS-GHMZBOCLSA-N 0 0 178.206 2.715 10 0 AFAERN O=Cc1ccc(-c2ccsc2)[nH]1 75567551 573620285 /nfs/dbraw/zinc/62/02/85/573620285.db2.gz YOYLLGXFDJNDCU-UHFFFAOYSA-N 0 0 177.228 2.556 10 0 AFAERN C[Si](C)(C)[C@H]1Cc2ccccc2N1 238450881 573617431 /nfs/dbraw/zinc/61/74/31/573617431.db2.gz RJXSYDZQDCJMSV-NSHDSACASA-N 0 0 191.350 2.901 10 0 AFAERN Cc1cccc2c1[C@@H](C)[C@H](C)N2 107456350 573617438 /nfs/dbraw/zinc/61/74/38/573617438.db2.gz WPBZYXTYIATCHM-IUCAKERBSA-N 0 0 161.248 2.913 10 0 AFAERN C[C@H]1CC[C@@]2(CC2(C)C)C(=O)C1 238450180 573617512 /nfs/dbraw/zinc/61/75/12/573617512.db2.gz YCOCPBNRGBQONT-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN O=C1Nc2ccccc2[C@@H]1C1CCC1 236407948 573617519 /nfs/dbraw/zinc/61/75/19/573617519.db2.gz HGGJAASVQONVIC-NSHDSACASA-N 0 0 187.242 2.522 10 0 AFAERN C[C@H]1CC(=O)CC2=C1CCCC2 238451176 573617550 /nfs/dbraw/zinc/61/75/50/573617550.db2.gz IQNRVLRZRWNQHL-QMMMGPOBSA-N 0 0 164.248 2.856 10 0 AFAERN CC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 96379027 573617563 /nfs/dbraw/zinc/61/75/63/573617563.db2.gz WYRXXXHYERBZPB-YUMQZZPRSA-N 0 0 194.196 2.944 10 0 AFAERN C=Cc1nc2c(C)cccc2[nH]1 238450943 573617656 /nfs/dbraw/zinc/61/76/56/573617656.db2.gz DTCUROOHBMRGRH-UHFFFAOYSA-N 0 0 158.204 2.514 10 0 AFAERN C/C(=C/c1cc(C)ccc1C)CO 211953084 573617677 /nfs/dbraw/zinc/61/76/77/573617677.db2.gz VQXFMRZLYAQICN-YFHOEESVSA-N 0 0 176.259 2.699 10 0 AFAERN Cc1cccc2c(O)ccc(O)c12 75564328 573617739 /nfs/dbraw/zinc/61/77/39/573617739.db2.gz FQUGGDJLDKUHAB-UHFFFAOYSA-N 0 0 174.199 2.559 10 0 AFAERN Cc1cccc2c1[C@H](C)[C@H](C)N2 107456348 573617830 /nfs/dbraw/zinc/61/78/30/573617830.db2.gz WPBZYXTYIATCHM-BDAKNGLRSA-N 0 0 161.248 2.913 10 0 AFAERN C=Cc1cncc(Cl)c1C 142826254 573620303 /nfs/dbraw/zinc/62/03/03/573620303.db2.gz MMYUHZUMPPVZRK-UHFFFAOYSA-N 0 0 153.612 2.686 10 0 AFAERN Cc1cccc2ccc([C@H](C)O)nc12 238451123 573617878 /nfs/dbraw/zinc/61/78/78/573617878.db2.gz WJURHNATKHBSLT-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN CCCC[C@@](C)(O)C(C)(C)C 96373568 573617981 /nfs/dbraw/zinc/61/79/81/573617981.db2.gz GCLFPNQSLCWZAQ-SNVBAGLBSA-N 0 0 158.285 2.974 10 0 AFAERN CC(C)(C)c1cccc([C@@H](F)CO)c1 257837824 573618046 /nfs/dbraw/zinc/61/80/46/573618046.db2.gz MPGZSAMCSGQRCB-NSHDSACASA-N 0 0 196.265 2.987 10 0 AFAERN C[C@H](O)c1ccc2c(c1F)CCCC2 238450838 573618062 /nfs/dbraw/zinc/61/80/62/573618062.db2.gz PGBYGINKFRVFKH-QMMMGPOBSA-N 0 0 194.249 2.758 10 0 AFAERN C[C@@H]1CNc2cccc(Cl)c21 107457127 573618066 /nfs/dbraw/zinc/61/80/66/573618066.db2.gz MPLAOJXJFVYMEB-ZCFIWIBFSA-N 0 0 167.639 2.869 10 0 AFAERN C[C@H](O)C[C@H]1CCCCCCCC1=O 238450584 573618094 /nfs/dbraw/zinc/61/80/94/573618094.db2.gz UPZRJICRHJLAEK-WDEREUQCSA-N 0 0 198.306 2.687 10 0 AFAERN C[C@@H]1CC[C@H](Cc2ccccc2)[C@@H]1O 238451376 573618223 /nfs/dbraw/zinc/61/82/23/573618223.db2.gz SDCWKHKKDWNDKR-RAIGVLPGSA-N 0 0 190.286 2.636 10 0 AFAERN CCCC/C=C(\C)CCCO 215290062 573618275 /nfs/dbraw/zinc/61/82/75/573618275.db2.gz ROZKXMFOFQCWAT-JXMROGBWSA-N 0 0 156.269 2.895 10 0 AFAERN Cc1ccc(-c2ccccc2N)[nH]1 75562816 573618341 /nfs/dbraw/zinc/61/83/41/573618341.db2.gz OPOMVCPXEIXBGQ-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)[C@@H]2C 107456336 573618381 /nfs/dbraw/zinc/61/83/81/573618381.db2.gz PAUYFSDQFBVTBU-DTWKUNHWSA-N 0 0 161.248 2.913 10 0 AFAERN CC(C)=C1C=C[C@H]2CC(=O)[C@H](C)[C@@H]12 238451267 573618405 /nfs/dbraw/zinc/61/84/05/573618405.db2.gz CHXGOQMOMFYNGO-HOTUBEGUSA-N 0 0 176.259 2.734 10 0 AFAERN Cc1cc(C=O)cc2ccoc12 107456252 573618459 /nfs/dbraw/zinc/61/84/59/573618459.db2.gz OFBDVMKFQNMAHO-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN CCCCNC(=O)C[C@@H](C)C(C)C 308408047 573618501 /nfs/dbraw/zinc/61/85/01/573618501.db2.gz KOWWWEPTQDNUKU-SNVBAGLBSA-N 0 0 185.311 2.585 10 0 AFAERN C[C@H](O)c1ccc2c(c1)[C@@H](C)C=C2 238450822 573618590 /nfs/dbraw/zinc/61/85/90/573618590.db2.gz VHUBGIUTBNOXQO-IUCAKERBSA-N 0 0 174.243 2.870 10 0 AFAERN COc1ccc(F)c2ccoc12 107456913 573618711 /nfs/dbraw/zinc/61/87/11/573618711.db2.gz FTLZANOPOUGEQR-UHFFFAOYSA-N 0 0 166.151 2.581 10 0 AFAERN CC/C=C/C(=O)OCc1cccs1 308407739 573618725 /nfs/dbraw/zinc/61/87/25/573618725.db2.gz KKRKDMAIZLKSIS-ZZXKWVIFSA-N 0 0 196.271 2.758 10 0 AFAERN Cc1ccc(C)c2c1NC[C@H]2C 107456366 573618734 /nfs/dbraw/zinc/61/87/34/573618734.db2.gz YLNXYLBGZPCGGM-SECBINFHSA-N 0 0 161.248 2.832 10 0 AFAERN Cc1cc[nH]c1-c1ccccc1O 75563420 573618819 /nfs/dbraw/zinc/61/88/19/573618819.db2.gz UEGWUZKDSPOGOJ-UHFFFAOYSA-N 0 0 173.215 2.696 10 0 AFAERN CO[C@@H]1CCC[C@H]1CCC(=O)C(C)C 308642806 573618867 /nfs/dbraw/zinc/61/88/67/573618867.db2.gz FAJDAYINHWMLFA-CMPLNLGQSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cccc2c1[C@@H](C)CN2 107455081 573618899 /nfs/dbraw/zinc/61/88/99/573618899.db2.gz OSKJEUHBGMQSNV-QMMMGPOBSA-N 0 0 147.221 2.524 10 0 AFAERN CCOCn1ccc2cc(F)ccc21 83756566 573619005 /nfs/dbraw/zinc/61/90/05/573619005.db2.gz ILSCZAIPZWKNIR-UHFFFAOYSA-N 0 0 193.221 2.774 10 0 AFAERN CC(C)=C1[C@H](C)[C@@H]2C(=O)CC[C@@H]12 238451190 573619014 /nfs/dbraw/zinc/61/90/14/573619014.db2.gz UYQDMTWJYGGNKK-LAEOZQHASA-N 0 0 164.248 2.568 10 0 AFAERN C[C@H]1c2ccc(F)cc2N[C@@H]1C 107456852 573619016 /nfs/dbraw/zinc/61/90/16/573619016.db2.gz JPHDVZZEALDMMO-RNFRBKRXSA-N 0 0 165.211 2.743 10 0 AFAERN CC(=O)C[C@H]1C[C@@H](C)C1(C)C 238451094 573619018 /nfs/dbraw/zinc/61/90/18/573619018.db2.gz NYJLAGUSTNNPGE-VXNVDRBHSA-N 0 0 154.253 2.648 10 0 AFAERN CC/C=C\C(=O)OCc1cccs1 308407737 573619129 /nfs/dbraw/zinc/61/91/29/573619129.db2.gz KKRKDMAIZLKSIS-UTCJRWHESA-N 0 0 196.271 2.758 10 0 AFAERN Cc1ccc(N)c2c1C(C)(C)CC2 75565694 573619185 /nfs/dbraw/zinc/61/91/85/573619185.db2.gz VQEWVEDDQHQWHZ-UHFFFAOYSA-N 0 0 175.275 2.801 10 0 AFAERN C[C@@H]1CC[C@H](C2(C)CC2)[C@@H](O)C1 238450638 573619193 /nfs/dbraw/zinc/61/91/93/573619193.db2.gz QIZIFTRQINFQMU-UTLUCORTSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1csc(C)n1 126651466 573619207 /nfs/dbraw/zinc/61/92/07/573619207.db2.gz DUIHWVHGCXJTLG-XCBNKYQSSA-N 0 0 199.319 2.921 10 0 AFAERN C[C@H]1CC(=O)CCC2=C1CCC2 238451375 573619280 /nfs/dbraw/zinc/61/92/80/573619280.db2.gz XNHIRPGQLLLZDF-QMMMGPOBSA-N 0 0 164.248 2.856 10 0 AFAERN Cc1ccccc1[C@@]12CC[C@@H](C1)OC2 258411914 573619317 /nfs/dbraw/zinc/61/93/17/573619317.db2.gz ZRTKERSUBHAFLU-AAEUAGOBSA-N 0 0 188.270 2.816 10 0 AFAERN C[Si](C)(C)[C@@H]1c2ccccc2[C@H]1O 238450749 573619320 /nfs/dbraw/zinc/61/93/20/573619320.db2.gz JMTPADXLHCCEOB-GHMZBOCLSA-N 0 0 192.334 2.695 10 0 AFAERN CCSc1sccc1C=O 75562944 573619325 /nfs/dbraw/zinc/61/93/25/573619325.db2.gz ANWVMPPUOIRXQA-UHFFFAOYSA-N 0 0 172.274 2.673 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)[C@H]2C 107456341 573619434 /nfs/dbraw/zinc/61/94/34/573619434.db2.gz PAUYFSDQFBVTBU-RKDXNWHRSA-N 0 0 161.248 2.913 10 0 AFAERN C[C@H]1CNc2cccc(Cl)c21 107457130 573619650 /nfs/dbraw/zinc/61/96/50/573619650.db2.gz MPLAOJXJFVYMEB-LURJTMIESA-N 0 0 167.639 2.869 10 0 AFAERN CC(C)=C1C=C[C@@H]2CC(=O)[C@H](C)[C@@H]12 238451093 573619662 /nfs/dbraw/zinc/61/96/62/573619662.db2.gz CHXGOQMOMFYNGO-YGOYTEALSA-N 0 0 176.259 2.734 10 0 AFAERN CC[C@@H](C)OC(=O)C1(C(C)C)CC1 393543465 573619770 /nfs/dbraw/zinc/61/97/70/573619770.db2.gz ARYLZOQAGCILHX-SECBINFHSA-N 0 0 184.279 2.764 10 0 AFAERN CC/C=C(/C)[C@@H](O)CC(C)C 142858502 573619845 /nfs/dbraw/zinc/61/98/45/573619845.db2.gz LZTGTLDCIUOQCF-MBACFSSFSA-N 0 0 156.269 2.750 10 0 AFAERN Cc1cccc2c1[C@@H](C)[C@@H](C)N2 107456355 573619852 /nfs/dbraw/zinc/61/98/52/573619852.db2.gz WPBZYXTYIATCHM-DTWKUNHWSA-N 0 0 161.248 2.913 10 0 AFAERN CC1=C[C@@H](C)[C@@H](C)CC(=O)CC1 238451330 573619862 /nfs/dbraw/zinc/61/98/62/573619862.db2.gz FQWOLIJDEYRTCS-ZJUUUORDSA-N 0 0 166.264 2.958 10 0 AFAERN CCCCNC(=O)C[C@H](C)C(C)C 308408046 573619897 /nfs/dbraw/zinc/61/98/97/573619897.db2.gz KOWWWEPTQDNUKU-JTQLQIEISA-N 0 0 185.311 2.585 10 0 AFAERN Cc1cc(N)ccc1CC(F)(F)F 238450813 573619934 /nfs/dbraw/zinc/61/99/34/573619934.db2.gz NGHZFBZSUVEXAD-UHFFFAOYSA-N 0 0 189.180 2.682 10 0 AFAERN Cc1ccc(C)c2[nH]c(C=O)cc12 75563523 573619973 /nfs/dbraw/zinc/61/99/73/573619973.db2.gz VLWAWLFOZIKEBA-UHFFFAOYSA-N 0 0 173.215 2.597 10 0 AFAERN COc1c(O)ccc2c1CCCCC2 238450246 573619982 /nfs/dbraw/zinc/61/99/82/573619982.db2.gz FSHXOLNAXILZNB-UHFFFAOYSA-N 0 0 192.258 2.670 10 0 AFAERN CC(=O)[C@H](C)Nc1cc(C)cc(C)c1 238451200 573620042 /nfs/dbraw/zinc/62/00/42/573620042.db2.gz IKJDZTGLWJJYRK-JTQLQIEISA-N 0 0 191.274 2.693 10 0 AFAERN C[C@H](O)c1ccc2c(c1)[C@H](C)C=C2 238450806 573620114 /nfs/dbraw/zinc/62/01/14/573620114.db2.gz VHUBGIUTBNOXQO-BDAKNGLRSA-N 0 0 174.243 2.870 10 0 AFAERN Cc1cc(C)c2[nH]c(C=O)cc2c1 75563525 573620166 /nfs/dbraw/zinc/62/01/66/573620166.db2.gz RJVPCBDERLLVAM-UHFFFAOYSA-N 0 0 173.215 2.597 10 0 AFAERN CCOCn1ccc2ccccc21 83756563 573620192 /nfs/dbraw/zinc/62/01/92/573620192.db2.gz BIXJJQFEBRPQFT-UHFFFAOYSA-N 0 0 175.231 2.635 10 0 AFAERN Cc1ccc(C(C)C)c(C)c1CO 142839781 573620208 /nfs/dbraw/zinc/62/02/08/573620208.db2.gz AXNQVDRPYSMLJY-UHFFFAOYSA-N 0 0 178.275 2.919 10 0 AFAERN CC(C)[C@H]1CNc2cccc(F)c21 107459456 573620253 /nfs/dbraw/zinc/62/02/53/573620253.db2.gz XZEYVFDOBAUNMW-MRVPVSSYSA-N 0 0 179.238 2.991 10 0 AFAERN Nc1cncc2oc3ccccc3c12 107460698 573620372 /nfs/dbraw/zinc/62/03/72/573620372.db2.gz GFIWOBRLMOETJW-UHFFFAOYSA-N 0 0 184.198 2.563 10 0 AFAERN CC(C)[C@@H]1CNc2cccc(F)c21 107459454 573620379 /nfs/dbraw/zinc/62/03/79/573620379.db2.gz XZEYVFDOBAUNMW-QMMMGPOBSA-N 0 0 179.238 2.991 10 0 AFAERN CC(=O)C[C@H](F)c1ccccc1C 257837663 573620585 /nfs/dbraw/zinc/62/05/85/573620585.db2.gz LKSGALHJYRSGHW-NSHDSACASA-N 0 0 180.222 2.985 10 0 AFAERN CC(C)(C)c1cccc([C@H](F)CO)c1 257837823 573620590 /nfs/dbraw/zinc/62/05/90/573620590.db2.gz MPGZSAMCSGQRCB-LLVKDONJSA-N 0 0 196.265 2.987 10 0 AFAERN Cc1ccc2c(c1N)CCC2(C)C 75565695 573620610 /nfs/dbraw/zinc/62/06/10/573620610.db2.gz QDZVESLODAFNBL-UHFFFAOYSA-N 0 0 175.275 2.801 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1csc(C)n1 126652012 573620743 /nfs/dbraw/zinc/62/07/43/573620743.db2.gz DUIHWVHGCXJTLG-OIBJUYFYSA-N 0 0 199.319 2.921 10 0 AFAERN CC[C@H](O)c1cccc2cc[nH]c12 142872467 573620912 /nfs/dbraw/zinc/62/09/12/573620912.db2.gz BRHCFHIIVLQXQA-JTQLQIEISA-N 0 0 175.231 2.611 10 0 AFAERN CC(C)=CC[C@H]1C[C@@H](C)CC1=O 238451462 573620941 /nfs/dbraw/zinc/62/09/41/573620941.db2.gz VWWLVOAVCJBVOC-ZJUUUORDSA-N 0 0 166.264 2.958 10 0 AFAERN CCN(CC)c1ccc(C)c(O)c1C 224430811 573621002 /nfs/dbraw/zinc/62/10/02/573621002.db2.gz IHYAYHQYLGOBKE-UHFFFAOYSA-N 0 0 193.290 2.855 10 0 AFAERN C[C@@H]1c2cc(O)ccc2OC1(C)C 238451677 573621139 /nfs/dbraw/zinc/62/11/39/573621139.db2.gz FWBKGTQRFDAJBL-SSDOTTSWSA-N 0 0 178.231 2.667 10 0 AFAERN C[C@H]1CC(C)(C)[C@@H](CO)C[C@H]1C 238452200 573621216 /nfs/dbraw/zinc/62/12/16/573621216.db2.gz SVLUHMXADXEQER-KXUCPTDWSA-N 0 0 170.296 2.687 10 0 AFAERN C[C@H]1CC(=O)CC[C@@H]1C1(C)CC1 238451791 573621255 /nfs/dbraw/zinc/62/12/55/573621255.db2.gz KNVVJXHHYDGMFC-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C(=O)C2C[C@@H]3CC1C[C@H](C2)C3 238452228 573621463 /nfs/dbraw/zinc/62/14/63/573621463.db2.gz NXKIPUOPTLOGDJ-GLAPFTFBSA-N 0 0 178.275 2.648 10 0 AFAERN CCC(CC)CC(=O)OC1CCC1 308408064 573621263 /nfs/dbraw/zinc/62/12/63/573621263.db2.gz KPWHTFOSQDZQDG-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CCc1c(C=O)oc2ccccc12 75564436 573621394 /nfs/dbraw/zinc/62/13/94/573621394.db2.gz PUDFDRLUHMVRIP-UHFFFAOYSA-N 0 0 174.199 2.808 10 0 AFAERN Oc1cccc2oc3c(c12)CCC3 75564357 573621420 /nfs/dbraw/zinc/62/14/20/573621420.db2.gz WRVSUXMYHIQJII-UHFFFAOYSA-N 0 0 174.199 2.627 10 0 AFAERN C/C=C/COc1cc(N)c(C)cc1C 142882469 573624143 /nfs/dbraw/zinc/62/41/43/573624143.db2.gz OENRYQQJHVPRQN-SNAWJCMRSA-N 0 0 191.274 2.841 10 0 AFAERN Cc1cc2ccccn2c1Cl 259531160 573624158 /nfs/dbraw/zinc/62/41/58/573624158.db2.gz QJIQMBKELAPNNB-UHFFFAOYSA-N 0 0 165.623 2.901 10 0 AFAERN c1cc2ccc(-c3ccon3)cc2[nH]1 142799242 573623080 /nfs/dbraw/zinc/62/30/80/573623080.db2.gz SGKZPLYVNQOYCU-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Oc1ccc(C=C(F)F)cc1 142867297 573623197 /nfs/dbraw/zinc/62/31/97/573623197.db2.gz LUROOSPDJIVYMV-UHFFFAOYSA-N 0 0 156.131 2.630 10 0 AFAERN CC(=O)[C@]12CCCC[C@@H]1C[C@@H]2C 238452794 573623216 /nfs/dbraw/zinc/62/32/16/573623216.db2.gz JOXOVTPQHUTISB-JMJZKYOTSA-N 0 0 166.264 2.792 10 0 AFAERN CC/C=C(/C)[C@H](O)[C@H](C)CC 142855700 573623237 /nfs/dbraw/zinc/62/32/37/573623237.db2.gz VSMICCOPZTWNPJ-CODANPLPSA-N 0 0 156.269 2.750 10 0 AFAERN CSc1ccc2c(c1)N[C@@H](C)C2 107459527 573623284 /nfs/dbraw/zinc/62/32/84/573623284.db2.gz ORIAKRJQIKHQOH-ZETCQYMHSA-N 0 0 179.288 2.765 10 0 AFAERN CC1=CC[C@H](C[C@@H](C)NC=O)C1(C)C 238451589 573623344 /nfs/dbraw/zinc/62/33/44/573623344.db2.gz SPYRBIFTKGSILP-GHMZBOCLSA-N 0 0 195.306 2.503 10 0 AFAERN Cc1ccc2c(c1)[C@@H](CO)C[C@H]2C 238452526 573623401 /nfs/dbraw/zinc/62/34/01/573623401.db2.gz HULRXCCBRNSBHP-NXEZZACHSA-N 0 0 176.259 2.578 10 0 AFAERN Cc1nc2c(Cl)cccc2o1 142825959 573623426 /nfs/dbraw/zinc/62/34/26/573623426.db2.gz UBFFFAXMQZYDAN-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN C[C@@H]1CCC(=O)[C@@]2(C)CC=CC[C@@H]12 142811476 573623440 /nfs/dbraw/zinc/62/34/40/573623440.db2.gz ZMYCXAQPBIWEBL-SCVCMEIPSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@H]1CC(=O)C[C@H](C)C1C1CC1 238452763 573623470 /nfs/dbraw/zinc/62/34/70/573623470.db2.gz PNSNIFYVFOWLHV-YUMQZZPRSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1c2ccccc2-c2nc[nH]c21 238452046 573623476 /nfs/dbraw/zinc/62/34/76/573623476.db2.gz MLDCJTPARMTEEB-SSDOTTSWSA-N 0 0 170.215 2.542 10 0 AFAERN CCCc1cccc([C@@H](C)CO)c1 257834043 573623565 /nfs/dbraw/zinc/62/35/65/573623565.db2.gz LFNREWTXAGXHNG-JTQLQIEISA-N 0 0 178.275 2.735 10 0 AFAERN CC(C)C[C@@H]1CC[C@@H](O)[C@@H](C)C1 142807591 573623647 /nfs/dbraw/zinc/62/36/47/573623647.db2.gz UDPKUAIUDYPHMS-GARJFASQSA-N 0 0 170.296 2.830 10 0 AFAERN Nc1nocc1C1CCCCCC1 257837836 573623744 /nfs/dbraw/zinc/62/37/44/573623744.db2.gz MQBCHQJEQUCKQY-UHFFFAOYSA-N 0 0 180.251 2.695 10 0 AFAERN C[C@@H]1CCC(=O)[C@]2(C)CC=CC[C@@H]12 142811882 573623816 /nfs/dbraw/zinc/62/38/16/573623816.db2.gz ZMYCXAQPBIWEBL-JFGNBEQYSA-N 0 0 178.275 2.958 10 0 AFAERN O=C1CCOC[C@H]1C1CCCCCC1 236413907 573623841 /nfs/dbraw/zinc/62/38/41/573623841.db2.gz FBGFPNBGYMSHMD-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN C[C@H](O)Cc1ccc(C(C)(C)C)s1 238451863 573623863 /nfs/dbraw/zinc/62/38/63/573623863.db2.gz NIEGDIZDATYYDH-QMMMGPOBSA-N 0 0 198.331 2.969 10 0 AFAERN C[C@H]1CCC(=O)[C@@]2(C)CC=CC[C@@H]12 142811665 573623911 /nfs/dbraw/zinc/62/39/11/573623911.db2.gz ZMYCXAQPBIWEBL-NHCYSSNCSA-N 0 0 178.275 2.958 10 0 AFAERN CCC(C)(C)c1cc(O)cc(O)c1 75570048 573624066 /nfs/dbraw/zinc/62/40/66/573624066.db2.gz WJOZAFUPNDVOBN-UHFFFAOYSA-N 0 0 180.247 2.785 10 0 AFAERN CC[C@@H](O)c1cccc2cc[nH]c12 142872244 573624259 /nfs/dbraw/zinc/62/42/59/573624259.db2.gz BRHCFHIIVLQXQA-SNVBAGLBSA-N 0 0 175.231 2.611 10 0 AFAERN CC1=CC(C)(C)[C@H](C)C[C@@H]1CO 238452214 573624384 /nfs/dbraw/zinc/62/43/84/573624384.db2.gz XZULEOBEJXWYJS-NXEZZACHSA-N 0 0 168.280 2.607 10 0 AFAERN CSc1cccc2c1C[C@@H](C)N2 107459531 573624399 /nfs/dbraw/zinc/62/43/99/573624399.db2.gz JNAUJEVCGNVJFK-SSDOTTSWSA-N 0 0 179.288 2.765 10 0 AFAERN Cc1cnc2[nH]c(C3CCC3)nc2c1 86796131 573624409 /nfs/dbraw/zinc/62/44/09/573624409.db2.gz KKMJSHRPMNDKOB-UHFFFAOYSA-N 0 0 187.246 2.534 10 0 AFAERN Cc1noc2ccc(Cl)c(C=O)c12 259532116 573624430 /nfs/dbraw/zinc/62/44/30/573624430.db2.gz ROQJUMBGVXZURW-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN C[C@H]1CC(=O)CC[C@@H]2CCC[C@H]12 238451850 573624448 /nfs/dbraw/zinc/62/44/48/573624448.db2.gz OBFHFMSRKYCKST-ATZCPNFKSA-N 0 0 166.264 2.792 10 0 AFAERN CCCc1cccc([C@H](C)CO)c1 257834044 573624458 /nfs/dbraw/zinc/62/44/58/573624458.db2.gz LFNREWTXAGXHNG-SNVBAGLBSA-N 0 0 178.275 2.735 10 0 AFAERN CC(C)c1oc(C=O)nc1C1CCC1 257837934 573624550 /nfs/dbraw/zinc/62/45/50/573624550.db2.gz LEGVKVNEPRUWJZ-UHFFFAOYSA-N 0 0 193.246 2.878 10 0 AFAERN CC/C=C(/C)[C@H](O)[C@@H](C)CC 142855258 573624591 /nfs/dbraw/zinc/62/45/91/573624591.db2.gz VSMICCOPZTWNPJ-AGGJFOMBSA-N 0 0 156.269 2.750 10 0 AFAERN C[C@H]1CSc2c(O)cccc2C1 238452010 573624636 /nfs/dbraw/zinc/62/46/36/573624636.db2.gz YQDSKPRWBQIRCD-SSDOTTSWSA-N 0 0 180.272 2.677 10 0 AFAERN CC/C=C(/C)[C@H](O)CC(C)C 142858269 573624653 /nfs/dbraw/zinc/62/46/53/573624653.db2.gz LZTGTLDCIUOQCF-ABRRARGCSA-N 0 0 156.269 2.750 10 0 AFAERN Nc1ccc2onc(C3CCC3)c2c1 257837945 573624676 /nfs/dbraw/zinc/62/46/76/573624676.db2.gz LEUBRTQEVWYCET-UHFFFAOYSA-N 0 0 188.230 2.678 10 0 AFAERN CC(=O)c1cccc([C@@H]2C[C@@H]2F)c1 259530842 573624710 /nfs/dbraw/zinc/62/47/10/573624710.db2.gz BCSDXRGOGSVUGS-QWRGUYRKSA-N 0 0 178.206 2.715 10 0 AFAERN Cc1ccc(Nc2cccnc2)c(N)c1 258824141 573624830 /nfs/dbraw/zinc/62/48/30/573624830.db2.gz PIHHYURADCXBHE-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN O=Cc1oncc1C1CCCCC1 257834016 573624832 /nfs/dbraw/zinc/62/48/32/573624832.db2.gz LDQDLRQQDRBSIG-UHFFFAOYSA-N 0 0 179.219 2.535 10 0 AFAERN Cc1c(CF)cncc1C(F)F 238452735 573624839 /nfs/dbraw/zinc/62/48/39/573624839.db2.gz NOMJJUGIWBQYML-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN C/C=C/CSc1nccn1CCC 308408787 573624849 /nfs/dbraw/zinc/62/48/49/573624849.db2.gz KVBDJTSQNRHLCV-HWKANZROSA-N 0 0 196.319 2.961 10 0 AFAERN Cc1cccc2c1[C@H](CCO)CCC2 257837906 573625025 /nfs/dbraw/zinc/62/50/25/573625025.db2.gz LCSSABAOAIKVRI-LBPRGKRZSA-N 0 0 190.286 2.797 10 0 AFAERN CC[C@H](C)c1nc2cc(C)cnc2[nH]1 86796009 573625104 /nfs/dbraw/zinc/62/51/04/573625104.db2.gz ULNKGJGGEOWIPP-QMMMGPOBSA-N 0 0 189.262 2.780 10 0 AFAERN CC(C)[C@H](O)C1CCCCCC1 83779207 573626975 /nfs/dbraw/zinc/62/69/75/573626975.db2.gz YILCIBPMUNYSTR-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)=C1C=C[C@@H]2CC(=O)[C@@H](C)[C@@H]12 238454393 573626155 /nfs/dbraw/zinc/62/61/55/573626155.db2.gz CHXGOQMOMFYNGO-KBVBSXBZSA-N 0 0 176.259 2.734 10 0 AFAERN CC1=C[C@@H]2CC(=O)C[C@H](C)[C@@H]2CC1 238452949 573626318 /nfs/dbraw/zinc/62/63/18/573626318.db2.gz QKIJYVJZNTUWJI-UMNHJUIQSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1cccc2c1[C@@H](C)CC(=O)C2 238453175 573626673 /nfs/dbraw/zinc/62/66/73/573626673.db2.gz HGYHCUWPUYFKBR-VIFPVBQESA-N 0 0 174.243 2.614 10 0 AFAERN CC(=O)[C@@H]1CCC=C(C)[C@@H]1C 238453206 573626778 /nfs/dbraw/zinc/62/67/78/573626778.db2.gz SSFHZBXBBDFQEB-WCBMZHEXSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1cccc2c(Cl)cc(N)nc12 238454075 573628018 /nfs/dbraw/zinc/62/80/18/573628018.db2.gz PXSXNSKYWYUCKY-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN C/C(=C/c1c(C)cccc1C)[N+](=O)[O-] 96551133 573628071 /nfs/dbraw/zinc/62/80/71/573628071.db2.gz PZOZQUZSMHAEJP-YFHOEESVSA-N 0 0 191.230 2.941 10 0 AFAERN CNc1[nH]c(C)c(C2CCCCC2)[nH+]1 258504578 573628072 /nfs/dbraw/zinc/62/80/72/573628072.db2.gz FFMRYCNEWXNOQK-UHFFFAOYSA-N 0 0 193.294 2.808 10 0 AFAERN Cc1ccc(C)c(C(O)=S)c1 238453111 573627827 /nfs/dbraw/zinc/62/78/27/573627827.db2.gz NQPLNMIZHMLZFU-UHFFFAOYSA-N 0 0 166.245 2.537 10 0 AFAERN CC(=O)[C@H]1[C@@H](C)C(C)(C)C1(C)C 238453104 573627834 /nfs/dbraw/zinc/62/78/34/573627834.db2.gz WUAZEPOPBFMEJM-VXNVDRBHSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@H]1CCC[C@@](C)(CCO)C1 238454297 573628048 /nfs/dbraw/zinc/62/80/48/573628048.db2.gz MENFXRGZYHDFEZ-UWVGGRQHSA-N 0 0 156.269 2.585 10 0 AFAERN Cc1ccc2c(N)c(C)c(C)cc2n1 75577348 573627933 /nfs/dbraw/zinc/62/79/33/573627933.db2.gz DFKZUMNLFFURNI-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN COc1cc(C)c(C)cc1SO 259132866 573627953 /nfs/dbraw/zinc/62/79/53/573627953.db2.gz CYSYSOLZZBTFFV-UHFFFAOYSA-N 0 0 184.260 2.877 10 0 AFAERN CCc1cc(N)cc(C(C)C)c1 258504586 573628006 /nfs/dbraw/zinc/62/80/06/573628006.db2.gz KZRAECUOXLRRIY-UHFFFAOYSA-N 0 0 163.264 2.955 10 0 AFAERN O=C(C1CCCCCC1)C1CC1 83779112 573629618 /nfs/dbraw/zinc/62/96/18/573629618.db2.gz FMCJBTBBKMEBGT-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CCC(CC)[C@@H](O)c1csc(C)n1 126690231 573629707 /nfs/dbraw/zinc/62/97/07/573629707.db2.gz BNRFSFHMQOBVGR-SNVBAGLBSA-N 0 0 199.319 2.921 10 0 AFAERN Cc1cc2c(cc1C)[C@@H](C)CC2=O 238459278 573630708 /nfs/dbraw/zinc/63/07/08/573630708.db2.gz CWCVMEHYBIYHHS-VIFPVBQESA-N 0 0 174.243 2.993 10 0 AFAERN Cc1cc(-c2cccc(C)c2O)on1 75579023 573630737 /nfs/dbraw/zinc/63/07/37/573630737.db2.gz IZGTXUOHSHIMJD-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN Cc1cscc1C(=O)c1ccc[nH]1 86815211 573630765 /nfs/dbraw/zinc/63/07/65/573630765.db2.gz HBOYUGTVAPQIOY-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN CCCC1CCC([C@H](C)O)CC1 83780425 573630784 /nfs/dbraw/zinc/63/07/84/573630784.db2.gz MQGBSMZAHNWTPR-WHXUTIOJSA-N 0 0 170.296 2.974 10 0 AFAERN C=Cc1cc(C)c(Cl)cc1N 238459601 573630808 /nfs/dbraw/zinc/63/08/08/573630808.db2.gz CJOFEXJBZAPULG-UHFFFAOYSA-N 0 0 167.639 2.874 10 0 AFAERN C[C@]12C(=O)C[C@@H]1CC1=C2CCCC1 238459977 573631339 /nfs/dbraw/zinc/63/13/39/573631339.db2.gz OPEXNKZFXXFXEV-CABZTGNLSA-N 0 0 176.259 2.856 10 0 AFAERN CSCC(=O)c1cscc1C 86815761 573631005 /nfs/dbraw/zinc/63/10/05/573631005.db2.gz DCLUJCXLCURKEQ-UHFFFAOYSA-N 0 0 186.301 2.602 10 0 AFAERN C[C@H]1CC(C)(C)C[C@]12CC(=O)CCO2 235621230 573631341 /nfs/dbraw/zinc/63/13/41/573631341.db2.gz OWKAHQOBKHGSAO-JOYOIKCWSA-N 0 0 196.290 2.561 10 0 AFAERN CC1=CCO[C@H](c2ccccc2O)C1 75579714 573631015 /nfs/dbraw/zinc/63/10/15/573631015.db2.gz BWASEMGTMOHWAK-LBPRGKRZSA-N 0 0 190.242 2.800 10 0 AFAERN COc1ccc(N)c2c(F)cccc12 259533354 573631342 /nfs/dbraw/zinc/63/13/42/573631342.db2.gz BGZUWMDPYOHCAT-UHFFFAOYSA-N 0 0 191.205 2.570 10 0 AFAERN CC(=O)N[C@@H]1[C@@H](C)CC(C)(C)C1(C)C 238460129 573631067 /nfs/dbraw/zinc/63/10/67/573631067.db2.gz QOUZVWZEHLRFTC-WCBMZHEXSA-N 0 0 197.322 2.583 10 0 AFAERN CCOC(=O)C[C@@H](C)c1coc(C)c1 259532854 573631088 /nfs/dbraw/zinc/63/10/88/573631088.db2.gz AEPBQYRHLFTXDL-MRVPVSSYSA-N 0 0 196.246 2.645 10 0 AFAERN CC(=O)C[C@@H](C)[C@H]1CC=CCC1 238454558 573631089 /nfs/dbraw/zinc/63/10/89/573631089.db2.gz DFSNRLOCCCHWFJ-KOLCDFICSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1cc2c(s1)C[C@@H](C)C[C@H]2O 238459020 573631108 /nfs/dbraw/zinc/63/11/08/573631108.db2.gz YGCCGIATXQFZHH-IMTBSYHQSA-N 0 0 182.288 2.672 10 0 AFAERN CC(C)[C@@H](O)C1CCCCCC1 83779208 573631122 /nfs/dbraw/zinc/63/11/22/573631122.db2.gz YILCIBPMUNYSTR-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](O)C1CCC(C)(C)CC1 83778603 573631194 /nfs/dbraw/zinc/63/11/94/573631194.db2.gz KXRKSPOLUKAEBW-SNVBAGLBSA-N 0 0 170.296 2.974 10 0 AFAERN C=Cc1nc([C@H]2CC[C@@H](C)C2)no1 83781212 573631221 /nfs/dbraw/zinc/63/12/21/573631221.db2.gz WBXPPLWGIYAWGU-SFYZADRCSA-N 0 0 178.235 2.616 10 0 AFAERN O=C(C1CCCCCC1)[C@H]1CCOC1 83779120 573631229 /nfs/dbraw/zinc/63/12/29/573631229.db2.gz HLIVVFYQIVYOAC-NSHDSACASA-N 0 0 196.290 2.562 10 0 AFAERN C[C@H]1CC[C@H](c2nc(C=O)cs2)C1 83782329 573631239 /nfs/dbraw/zinc/63/12/39/573631239.db2.gz AMNNKEAEBBSLNA-YUMQZZPRSA-N 0 0 195.287 2.859 10 0 AFAERN CC[C@H]1CCC[C@@H]([C@H](C)O)C1 83791239 573632984 /nfs/dbraw/zinc/63/29/84/573632984.db2.gz OXULJEUHOOOODE-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN Clc1cccc(CC[C@@H]2CO2)c1 107498603 573632922 /nfs/dbraw/zinc/63/29/22/573632922.db2.gz SNDDVDBTYPMUKJ-SNVBAGLBSA-N 0 0 182.650 2.671 10 0 AFAERN Cc1[nH]c2c(O)ccc(C)c2c1C 238459244 573633060 /nfs/dbraw/zinc/63/30/60/573633060.db2.gz HXXQTNNZYYJKBJ-UHFFFAOYSA-N 0 0 175.231 2.799 10 0 AFAERN C[C@@H]1C[C@H](O)CCC(C)(C)C1 238454725 573633084 /nfs/dbraw/zinc/63/30/84/573633084.db2.gz NKZURVBGTSUXCY-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN C[Si]1(C)CCCCC(=O)CC1 238459731 573633123 /nfs/dbraw/zinc/63/31/23/573633123.db2.gz OWYKQXYLTTYQEM-UHFFFAOYSA-N 0 0 170.328 2.838 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)c2cccnc2)C1 83785854 573633144 /nfs/dbraw/zinc/63/31/44/573633144.db2.gz SOKKIRQCEPHQIR-SCVCMEIPSA-N 0 0 191.274 2.551 10 0 AFAERN C[C@@H]1CC[C@H](c2ncc(C=O)s2)C1 83789152 573633151 /nfs/dbraw/zinc/63/31/51/573633151.db2.gz ASWMMAVQMJLQMM-SFYZADRCSA-N 0 0 195.287 2.859 10 0 AFAERN CCCCCC(=O)C1=C(O)CCC1 43651259 573633163 /nfs/dbraw/zinc/63/31/63/573633163.db2.gz DAPGFBPDYGMTMN-SECBINFHSA-N 0 0 182.263 2.505 10 0 AFAERN C[C@H]1CCc2ccc(CCCO)cc21 258072895 573634191 /nfs/dbraw/zinc/63/41/91/573634191.db2.gz MLOQRYUMOJJSBM-JTQLQIEISA-N 0 0 190.286 2.661 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)c2ccoc2)C1 83784383 573633191 /nfs/dbraw/zinc/63/31/91/573633191.db2.gz VQPJUEWMGGVACD-DTWKUNHWSA-N 0 0 178.231 2.899 10 0 AFAERN CCCCCC(=O)C1=C(O)CCC1 43651257 573633196 /nfs/dbraw/zinc/63/31/96/573633196.db2.gz DAPGFBPDYGMTMN-VIFPVBQESA-N 0 0 182.263 2.505 10 0 AFAERN C[C@H]1CC[C@H]2[C@@H](CC2(C)C)C1=O 238459541 573633207 /nfs/dbraw/zinc/63/32/07/573633207.db2.gz ZDZMEHBYOMURSO-YIZRAAEISA-N 0 0 166.264 2.648 10 0 AFAERN C/C(=C/c1ccc(C)c(F)c1)CO 211977329 573633217 /nfs/dbraw/zinc/63/32/17/573633217.db2.gz NCYVGCYBTTXKLA-YVMONPNESA-N 0 0 180.222 2.530 10 0 AFAERN C[C@H]1CC[C@H](c2noc(Cl)n2)C1 83789121 573633276 /nfs/dbraw/zinc/63/32/76/573633276.db2.gz INYXQWZWLGANRG-WDSKDSINSA-N 0 0 186.642 2.627 10 0 AFAERN Cc1ccc(O)c(-c2ccns2)c1 75580215 573633283 /nfs/dbraw/zinc/63/32/83/573633283.db2.gz VLWRXXYSLPCGEB-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CCCC(=O)[C@@H]1CC[C@H](C)C1 83784727 573634197 /nfs/dbraw/zinc/63/41/97/573634197.db2.gz OSVNCGPOUJCGMO-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN CC[C@H]1C[C@]1(O)c1cscc1C 86817012 573633425 /nfs/dbraw/zinc/63/34/25/573633425.db2.gz RAKYFSJDSFQYNN-WCBMZHEXSA-N 0 0 182.288 2.674 10 0 AFAERN CCC[C@@H](O)[C@@H]1CC[C@H](C)C1 83785481 573633447 /nfs/dbraw/zinc/63/34/47/573633447.db2.gz VJBXYRFYXJAJAT-IVZWLZJFSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)C2CCCC2)C1 83785560 573634207 /nfs/dbraw/zinc/63/42/07/573634207.db2.gz UMSAZWIOZNBFNG-ADEWGFFLSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@H]1CC[C@H](C(=O)c2ccco2)C1 83784966 573633654 /nfs/dbraw/zinc/63/36/54/573633654.db2.gz DSMWVTZYKWNYMB-IUCAKERBSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@@H]1CC[C@H]([C@H](O)C(C)(C)C)C1 83786313 573633694 /nfs/dbraw/zinc/63/36/94/573633694.db2.gz JODPPDDCOYZSGW-UTLUCORTSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CC[C@@H](c2ncc(C=O)s2)C1 83789156 573633729 /nfs/dbraw/zinc/63/37/29/573633729.db2.gz ASWMMAVQMJLQMM-HTQZYQBOSA-N 0 0 195.287 2.859 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)c2cccnc2)C1 83785858 573633791 /nfs/dbraw/zinc/63/37/91/573633791.db2.gz SOKKIRQCEPHQIR-FOGDFJRCSA-N 0 0 191.274 2.551 10 0 AFAERN CCc1cc(N)c(C)c(Cl)c1OC 257835149 573633836 /nfs/dbraw/zinc/63/38/36/573633836.db2.gz ILKIUYSINXFHDE-UHFFFAOYSA-N 0 0 199.681 2.802 10 0 AFAERN C[C@H]1CC[C@@H](C(=O)c2ccco2)C1 83784970 573633956 /nfs/dbraw/zinc/63/39/56/573633956.db2.gz DSMWVTZYKWNYMB-DTWKUNHWSA-N 0 0 178.231 2.899 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)CC2CC2)C1 83784234 573633979 /nfs/dbraw/zinc/63/39/79/573633979.db2.gz QJQDAZPAGBFTEG-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1CC[C@H](C(=O)c2cccnc2)C1 83784704 573633993 /nfs/dbraw/zinc/63/39/93/573633993.db2.gz RELGMIQPKIZEKC-UWVGGRQHSA-N 0 0 189.258 2.701 10 0 AFAERN CC[C@@H]1C[C@]1(O)c1cscc1C 86817009 573634162 /nfs/dbraw/zinc/63/41/62/573634162.db2.gz RAKYFSJDSFQYNN-PSASIEDQSA-N 0 0 182.288 2.674 10 0 AFAERN Cc1cscc1C(=O)c1cc[nH]c1 86815213 573634013 /nfs/dbraw/zinc/63/40/13/573634013.db2.gz IBFLXNPATGGXGK-UHFFFAOYSA-N 0 0 191.255 2.616 10 0 AFAERN C[C@@](F)(c1ccc(N)cc1)C1CC1 259538318 573634020 /nfs/dbraw/zinc/63/40/20/573634020.db2.gz BNPCTSDHTIZEQN-NSHDSACASA-N 0 0 179.238 2.864 10 0 AFAERN C/C(=C/c1ccc(Cl)s1)CO 211978023 573634088 /nfs/dbraw/zinc/63/40/88/573634088.db2.gz GZIIYDQHVMYIIH-XQRVVYSFSA-N 0 0 188.679 2.797 10 0 AFAERN C[C@@H]1CC[C@@H](C(=O)c2cccnc2)C1 83784706 573634108 /nfs/dbraw/zinc/63/41/08/573634108.db2.gz RELGMIQPKIZEKC-NXEZZACHSA-N 0 0 189.258 2.701 10 0 AFAERN CCC[C@@H](O)[C@H]1CC[C@H](C)C1 83785485 573634128 /nfs/dbraw/zinc/63/41/28/573634128.db2.gz VJBXYRFYXJAJAT-LPEHRKFASA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1[C@H](O)CCCCC1(C)C 238461601 573640077 /nfs/dbraw/zinc/64/00/77/573640077.db2.gz KLSTVFZYGMEELP-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cscc1[C@H](N)c1ccco1 86815422 573634253 /nfs/dbraw/zinc/63/42/53/573634253.db2.gz MUMWBCXYMIQORE-JTQLQIEISA-N 0 0 193.271 2.698 10 0 AFAERN CC[C@H]1CCC[C@H](C(=N)OC)C1 83789131 573634275 /nfs/dbraw/zinc/63/42/75/573634275.db2.gz TWOGCSNBNXXUOV-IUCAKERBSA-N 0 0 169.268 2.826 10 0 AFAERN CCCC(=O)[C@@H]1CC[C@@H](C)C1 83784731 573634303 /nfs/dbraw/zinc/63/43/03/573634303.db2.gz OSVNCGPOUJCGMO-RKDXNWHRSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)C(C)(C)C)C1 83786318 573634310 /nfs/dbraw/zinc/63/43/10/573634310.db2.gz JODPPDDCOYZSGW-BBBLOLIVSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1CC[C@H](C(=O)CC2CC2)C1 83784231 573635224 /nfs/dbraw/zinc/63/52/24/573635224.db2.gz QJQDAZPAGBFTEG-WPRPVWTQSA-N 0 0 166.264 2.792 10 0 AFAERN C=C=CC[C@H]1CCCCCC1=O 224445910 573635231 /nfs/dbraw/zinc/63/52/31/573635231.db2.gz WGYGJQHXXHLJHC-JTQLQIEISA-N 0 0 164.248 2.867 10 0 AFAERN CCC[C@H]1C[C@@H]1C(=O)OCC(C)C 393544508 573635251 /nfs/dbraw/zinc/63/52/51/573635251.db2.gz CFBRBSFRTWTSGD-UWVGGRQHSA-N 0 0 184.279 2.622 10 0 AFAERN Cc1cc(O)cc2c1CCC(C)(C)O2 75580847 573635279 /nfs/dbraw/zinc/63/52/79/573635279.db2.gz WWMVSNLXGYONAX-UHFFFAOYSA-N 0 0 192.258 2.804 10 0 AFAERN CC(C)C(=O)[C@@H]1CC[C@@H](C)C1 83784192 573635337 /nfs/dbraw/zinc/63/53/37/573635337.db2.gz GEUINYLILIYHOG-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN CCC[C@H](O)[C@H]1CC[C@H](C)C1 83785483 573635343 /nfs/dbraw/zinc/63/53/43/573635343.db2.gz VJBXYRFYXJAJAT-GUBZILKMSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1nc(N)cc([C@H](C)C(C)(C)C)n1 75581490 573635432 /nfs/dbraw/zinc/63/54/32/573635432.db2.gz RQXKQNDKIADTQS-ZETCQYMHSA-N 0 0 193.294 2.517 10 0 AFAERN C[C@@H]1CC[C@H](C(=O)c2ccco2)C1 83784964 573635437 /nfs/dbraw/zinc/63/54/37/573635437.db2.gz DSMWVTZYKWNYMB-BDAKNGLRSA-N 0 0 178.231 2.899 10 0 AFAERN C=C=CC[C@@H]1CCCCCC1=O 224445876 573635488 /nfs/dbraw/zinc/63/54/88/573635488.db2.gz WGYGJQHXXHLJHC-SNVBAGLBSA-N 0 0 164.248 2.867 10 0 AFAERN Clc1cnnn1C1CCCCCC1 258074881 573635493 /nfs/dbraw/zinc/63/54/93/573635493.db2.gz LTHAMDMFUHLOJI-UHFFFAOYSA-N 0 0 199.685 2.827 10 0 AFAERN C[C@@H]1CCc2ccc(CCCO)cc21 258072899 573635816 /nfs/dbraw/zinc/63/58/16/573635816.db2.gz MLOQRYUMOJJSBM-SNVBAGLBSA-N 0 0 190.286 2.661 10 0 AFAERN CCC(=O)[C@H]1CCc2ccccc21 83798626 573637168 /nfs/dbraw/zinc/63/71/68/573637168.db2.gz INZNCCYOZSCIAA-NSHDSACASA-N 0 0 174.243 2.696 10 0 AFAERN Cc1cc(-c2cscn2)ccc1N 75579924 573636714 /nfs/dbraw/zinc/63/67/14/573636714.db2.gz JOJPNMOWMPKDQS-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Fc1ccc(SCC[C@H]2CO2)cc1 393544086 573636810 /nfs/dbraw/zinc/63/68/10/573636810.db2.gz AYOOWAGPXNJGGB-VIFPVBQESA-N 0 0 198.262 2.707 10 0 AFAERN C[C@]1(O)CCc2cccc(Cl)c2C1 238461123 573636854 /nfs/dbraw/zinc/63/68/54/573636854.db2.gz RJWQEANWGJJXNN-NSHDSACASA-N 0 0 196.677 2.580 10 0 AFAERN CC1=CC(C)(C)C[C@H](C)[C@@H]1CO 238460248 573636860 /nfs/dbraw/zinc/63/68/60/573636860.db2.gz VWDFBZCSDANOMO-VHSXEESVSA-N 0 0 168.280 2.607 10 0 AFAERN CC1=C(C)C[C@H]([C@@H](C)O)[C@@H](C)C1 238466872 573636869 /nfs/dbraw/zinc/63/68/69/573636869.db2.gz ZHJUKYDBGTZFOC-AXFHLTTASA-N 0 0 168.280 2.750 10 0 AFAERN COCOc1ccc2c(c1)CCCC2 96586575 573636881 /nfs/dbraw/zinc/63/68/81/573636881.db2.gz LYHJECZUEZOABA-UHFFFAOYSA-N 0 0 192.258 2.548 10 0 AFAERN CC(=O)Cc1nc(C(C)(C)C)cs1 86828794 573636884 /nfs/dbraw/zinc/63/68/84/573636884.db2.gz KONDWDJYDKVJJN-UHFFFAOYSA-N 0 0 197.303 2.572 10 0 AFAERN C[C@@H]1CCCC[C@@H]2CC(=O)C[C@H]12 238460832 573636888 /nfs/dbraw/zinc/63/68/88/573636888.db2.gz HCIZEVONYZVXAX-FXPVBKGRSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@H]1CC[C@@H](C(=O)C2CC2)C1 83792944 573636891 /nfs/dbraw/zinc/63/68/91/573636891.db2.gz XWBQRULOMSBPFL-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN CCC[C@@H]1COc2ccc(F)cc2N1 259144857 573636990 /nfs/dbraw/zinc/63/69/90/573636990.db2.gz MNPIKMRMSBLVHF-SECBINFHSA-N 0 0 195.237 2.799 10 0 AFAERN CCCC(=O)C1Cc2ccccc2C1 83798529 573637039 /nfs/dbraw/zinc/63/70/39/573637039.db2.gz NAMYTUWCMJENAL-UHFFFAOYSA-N 0 0 188.270 2.771 10 0 AFAERN Cc1ccc([C@H](O)C(C)(C)C)c(N)c1 257838624 573642903 /nfs/dbraw/zinc/64/29/03/573642903.db2.gz LKEOBQROUWGVDI-NSHDSACASA-N 0 0 193.290 2.657 10 0 AFAERN CCC[C@H](O)C1Cc2ccccc2C1 83799899 573640024 /nfs/dbraw/zinc/64/00/24/573640024.db2.gz GITMPHMDOPTHPQ-ZDUSSCGKSA-N 0 0 190.286 2.562 10 0 AFAERN CO[C@@H]1CCC[C@@H]1CC(=O)C(C)(C)C 308651920 573639577 /nfs/dbraw/zinc/63/95/77/573639577.db2.gz KTGQIMWWABFKCL-NXEZZACHSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cc(CC(=O)CC2CC2)cs1 393545597 573639582 /nfs/dbraw/zinc/63/95/82/573639582.db2.gz FJRVDHFCJDKGAA-UHFFFAOYSA-N 0 0 194.299 2.968 10 0 AFAERN CC[C@H](O)[C@H]1CCc2ccccc2C1 83800242 573639635 /nfs/dbraw/zinc/63/96/35/573639635.db2.gz BZONYBPOSSBOBU-STQMWFEESA-N 0 0 190.286 2.562 10 0 AFAERN CCC(=O)[C@H]1CCc2ccccc2C1 83798755 573639658 /nfs/dbraw/zinc/63/96/58/573639658.db2.gz YHEXFBLJDBFUHV-LBPRGKRZSA-N 0 0 188.270 2.771 10 0 AFAERN CC[C@@H]1CC[C@H]([C@H](O)CC)C1 83798982 573639736 /nfs/dbraw/zinc/63/97/36/573639736.db2.gz WQQQRNUNUXRBPJ-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H]1CC[C@@H]([C@H](O)CC)C1 83798988 573639768 /nfs/dbraw/zinc/63/97/68/573639768.db2.gz WQQQRNUNUXRBPJ-OPRDCNLKSA-N 0 0 156.269 2.584 10 0 AFAERN COCc1cc2ccc(C)cc2n1C 257845685 573639834 /nfs/dbraw/zinc/63/98/34/573639834.db2.gz AGHKEDOFQAGWCU-UHFFFAOYSA-N 0 0 189.258 2.633 10 0 AFAERN CC[C@@H](O)[C@@H]1CCc2ccccc2C1 83800240 573639851 /nfs/dbraw/zinc/63/98/51/573639851.db2.gz BZONYBPOSSBOBU-CHWSQXEVSA-N 0 0 190.286 2.562 10 0 AFAERN CC(=O)c1ccccc1[C@H]1CCCO1 257844935 573639882 /nfs/dbraw/zinc/63/98/82/573639882.db2.gz NIKXDEVEADZRCV-GFCCVEGCSA-N 0 0 190.242 2.741 10 0 AFAERN O=C(C1CC1)[C@@H]1CCc2ccccc21 83798559 573639908 /nfs/dbraw/zinc/63/99/08/573639908.db2.gz HJKUDMZDWHKEMY-GFCCVEGCSA-N 0 0 186.254 2.696 10 0 AFAERN C[C@H]1C[C@@H]2CCC[C@@]23CCC(=O)[C@@H]13 238463126 573642760 /nfs/dbraw/zinc/64/27/60/573642760.db2.gz GDJIGOSFKHYEJQ-GAIPPQHRSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1ccccc1F 83807229 573642792 /nfs/dbraw/zinc/64/27/92/573642792.db2.gz QVKCUOUMCMLQKS-CBAPKCEASA-N 0 0 178.206 2.664 10 0 AFAERN Cc1ccccc1C(=O)[C@@H]1C[C@H]1C 83806311 573642797 /nfs/dbraw/zinc/64/27/97/573642797.db2.gz IHVITFHVKCWVHB-MWLCHTKSSA-N 0 0 174.243 2.834 10 0 AFAERN CCC[C@@H](O)C1Cc2ccccc2C1 83799900 573640893 /nfs/dbraw/zinc/64/08/93/573640893.db2.gz GITMPHMDOPTHPQ-CYBMUJFWSA-N 0 0 190.286 2.562 10 0 AFAERN C[C@@H](CC(N)=S)c1cccs1 107594929 573640952 /nfs/dbraw/zinc/64/09/52/573640952.db2.gz RSCJDXLTKLLKPW-LURJTMIESA-N 0 0 185.317 2.528 10 0 AFAERN COc1ccccc1C(=O)[C@H]1C[C@@H]1C 83807057 573642804 /nfs/dbraw/zinc/64/28/04/573642804.db2.gz QFJYJPGYNCMLAM-WPRPVWTQSA-N 0 0 190.242 2.534 10 0 AFAERN C[Si]1(C)CCc2ccc(O)cc2C1 238462011 573640986 /nfs/dbraw/zinc/64/09/86/573640986.db2.gz AZZGFEHZLWDXFC-UHFFFAOYSA-N 0 0 192.334 2.738 10 0 AFAERN CC[C@@H]1CC[C@H]([C@H](O)C2CC2)C1 83799014 573641021 /nfs/dbraw/zinc/64/10/21/573641021.db2.gz HZNJEDKMUAUXKH-DVVUODLYSA-N 0 0 168.280 2.584 10 0 AFAERN CCCOCCC(=O)CCCCF 393545410 573641041 /nfs/dbraw/zinc/64/10/41/573641041.db2.gz RHXVTOVOXXFFFU-UHFFFAOYSA-N 0 0 190.258 2.512 10 0 AFAERN C[C@H]1CCc2c(F)cccc2N1 238462604 573642806 /nfs/dbraw/zinc/64/28/06/573642806.db2.gz JNIBYBNKSKCKTC-ZETCQYMHSA-N 0 0 165.211 2.572 10 0 AFAERN Cc1c(O)c(C)c(O)c(C(C)C)c1O 75599174 573641073 /nfs/dbraw/zinc/64/10/73/573641073.db2.gz RBGYXYGIXPOGEQ-UHFFFAOYSA-N 0 0 196.246 2.544 10 0 AFAERN Oc1ccc2ccc(O)c(Cl)c2c1 75597231 573641116 /nfs/dbraw/zinc/64/11/16/573641116.db2.gz QVHYAZHFOLHEBE-UHFFFAOYSA-N 0 0 194.617 2.904 10 0 AFAERN CCOC(=N)[C@H]1CC[C@@H](CC)C1 83802739 573641151 /nfs/dbraw/zinc/64/11/51/573641151.db2.gz KYMOSKAXXSBFBI-BDAKNGLRSA-N 0 0 169.268 2.826 10 0 AFAERN Oc1cccc([C@@H]2CCC2(F)F)c1 259538893 573641250 /nfs/dbraw/zinc/64/12/50/573641250.db2.gz BRNVMWVPGHYBFW-VIFPVBQESA-N 0 0 184.185 2.905 10 0 AFAERN CCC[C@H](O)[C@H]1CCc2ccccc21 83800021 573641252 /nfs/dbraw/zinc/64/12/52/573641252.db2.gz ALAZUOHSOGLXFM-STQMWFEESA-N 0 0 190.286 2.877 10 0 AFAERN CC[C@H](O)[C@@H]1CCc2ccccc2C1 83800238 573641279 /nfs/dbraw/zinc/64/12/79/573641279.db2.gz BZONYBPOSSBOBU-OLZOCXBDSA-N 0 0 190.286 2.562 10 0 AFAERN CCC[C@@H](O)[C@H]1CCc2ccccc21 83800024 573641284 /nfs/dbraw/zinc/64/12/84/573641284.db2.gz ALAZUOHSOGLXFM-QWHCGFSZSA-N 0 0 190.286 2.877 10 0 AFAERN C[Si]1(C)CCc2cc(O)ccc2C1 238461984 573641307 /nfs/dbraw/zinc/64/13/07/573641307.db2.gz SEFFTKGWSSQTLY-UHFFFAOYSA-N 0 0 192.334 2.738 10 0 AFAERN CC(C)[C@@H]1CN(C)c2ccoc2S1 75596777 573641582 /nfs/dbraw/zinc/64/15/82/573641582.db2.gz HZQOODISCLCSNW-VIFPVBQESA-N 0 0 197.303 2.846 10 0 AFAERN C[C@@H]1c2cccc(Cl)c2CC[C@@H]1O 259147756 573641599 /nfs/dbraw/zinc/64/15/99/573641599.db2.gz GUQMZTUKEQAOQK-HQJQHLMTSA-N 0 0 196.677 2.751 10 0 AFAERN C[C@@H]1CCc2[nH]c3ncccc3c2C1 238461500 573641626 /nfs/dbraw/zinc/64/16/26/573641626.db2.gz ZXBAMENHTIFONM-MRVPVSSYSA-N 0 0 186.258 2.688 10 0 AFAERN CC1=C[C@@H]2C(=O)C[C@@H](C)C[C@@H]2C1 238461954 573641668 /nfs/dbraw/zinc/64/16/68/573641668.db2.gz VZXYCVOQUDYFGS-GUBZILKMSA-N 0 0 164.248 2.568 10 0 AFAERN C=C=Cc1ccc(C)c(O)c1C 238461943 573641676 /nfs/dbraw/zinc/64/16/76/573641676.db2.gz KSEKDDBFFTUDAV-UHFFFAOYSA-N 0 0 160.216 2.807 10 0 AFAERN CC1(C)CC(=O)c2cc(F)cc(F)c21 86832464 573641711 /nfs/dbraw/zinc/64/17/11/573641711.db2.gz NBHWBLXTMZZJFX-UHFFFAOYSA-N 0 0 196.196 2.829 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1cc(F)cc(F)c1 83806571 573641863 /nfs/dbraw/zinc/64/18/63/573641863.db2.gz BHPUAWKNAHWCSF-QUBYGPBYSA-N 0 0 196.196 2.804 10 0 AFAERN COc1ccccc1C(=O)[C@@H]1C[C@@H]1C 83807062 573641885 /nfs/dbraw/zinc/64/18/85/573641885.db2.gz QFJYJPGYNCMLAM-WCBMZHEXSA-N 0 0 190.242 2.534 10 0 AFAERN C[C@H]1C(=O)CCc2c(Cl)cccc21 259148001 573641914 /nfs/dbraw/zinc/64/19/14/573641914.db2.gz GVPNTXWBGOKPNB-SSDOTTSWSA-N 0 0 194.661 2.959 10 0 AFAERN Cc1ccccc1C(=O)[C@@H]1C[C@@H]1C 83806307 573641935 /nfs/dbraw/zinc/64/19/35/573641935.db2.gz IHVITFHVKCWVHB-GXSJLCMTSA-N 0 0 174.243 2.834 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@@H]2C)cs1 83807172 573641950 /nfs/dbraw/zinc/64/19/50/573641950.db2.gz DPQGKKWAYPVOPA-IMTBSYHQSA-N 0 0 180.272 2.895 10 0 AFAERN CC1(C)C[C@H](O)c2cc(F)ccc21 86832658 573641962 /nfs/dbraw/zinc/64/19/62/573641962.db2.gz UKSTWVPNRQORQJ-JTQLQIEISA-N 0 0 180.222 2.540 10 0 AFAERN CCCCCC(=O)OCC[C@@H](C)F 393545595 573641969 /nfs/dbraw/zinc/64/19/69/573641969.db2.gz FJQRIAXAXDAYRJ-SECBINFHSA-N 0 0 190.258 2.858 10 0 AFAERN CC1N=C(c2cccs2)SC1=O 259147924 573641975 /nfs/dbraw/zinc/64/19/75/573641975.db2.gz DEVACJZHHCUAJV-UHFFFAOYSA-N 0 0 197.284 2.886 10 0 AFAERN Cc1cc(Cl)nc([C@@H]2C[C@@H]2C)n1 83806159 573642012 /nfs/dbraw/zinc/64/20/12/573642012.db2.gz QMYBLLKRHDDYKB-CAHLUQPWSA-N 0 0 182.654 2.562 10 0 AFAERN Cc1cc(C(C)(C)CCO)c(C)o1 86832301 573642056 /nfs/dbraw/zinc/64/20/56/573642056.db2.gz NFDKWGWLQOSERY-UHFFFAOYSA-N 0 0 182.263 2.556 10 0 AFAERN C[C@H]1C[C@H]1C(=O)CC1CCCC1 83806563 573642069 /nfs/dbraw/zinc/64/20/69/573642069.db2.gz OXYWGZOFORFPOS-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc(Cl)nc([C@H]2C[C@@H]2C)n1 83806161 573642073 /nfs/dbraw/zinc/64/20/73/573642073.db2.gz QMYBLLKRHDDYKB-FSPLSTOPSA-N 0 0 182.654 2.562 10 0 AFAERN CCc1ccc2c(c1)[C@H](O)CC2(C)C 86832660 573642107 /nfs/dbraw/zinc/64/21/07/573642107.db2.gz KGOJLERVZMOQLP-GFCCVEGCSA-N 0 0 190.286 2.964 10 0 AFAERN C[C@H]1C[C@H]1C(=O)C1CCCCC1 83806856 573642151 /nfs/dbraw/zinc/64/21/51/573642151.db2.gz VOYOMOMJHQGUNK-WCBMZHEXSA-N 0 0 166.264 2.792 10 0 AFAERN CCCCCC[C@H]1NC(=O)[C@@]1(C)CC 308654560 573642853 /nfs/dbraw/zinc/64/28/53/573642853.db2.gz MQJZSZCLRRYUNX-PWSUYJOCSA-N 0 0 197.322 2.872 10 0 AFAERN C[C@@H]1c2cccc(Cl)c2CC[C@H]1O 259147765 573642159 /nfs/dbraw/zinc/64/21/59/573642159.db2.gz GUQMZTUKEQAOQK-RDDDGLTNSA-N 0 0 196.677 2.751 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1ccsc1 83806871 573642195 /nfs/dbraw/zinc/64/21/95/573642195.db2.gz CUBSXHGXPSGZQP-POYBYMJQSA-N 0 0 166.245 2.587 10 0 AFAERN CCc1cc(Cl)nc([C@H]2C[C@H]2C)n1 83806184 573642215 /nfs/dbraw/zinc/64/22/15/573642215.db2.gz YTQTWPDFJWTZBC-SVRRBLITSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@H]1CCCC[C@@H](C)CC1=O 238462623 573642216 /nfs/dbraw/zinc/64/22/16/573642216.db2.gz UONGQQFGQCQQJX-BDAKNGLRSA-N 0 0 154.253 2.792 10 0 AFAERN Cc1cc(Cl)c2c(c1)C(=O)[C@@H](C)O2 107620041 573642225 /nfs/dbraw/zinc/64/22/25/573642225.db2.gz XIIWFIUPBBQDMI-ZCFIWIBFSA-N 0 0 196.633 2.612 10 0 AFAERN CC[C@@H]1CC[C@H](c2nc(Cl)n[nH]2)C1 83803897 573642237 /nfs/dbraw/zinc/64/22/37/573642237.db2.gz WXDPFALQYOVBEW-RQJHMYQMSA-N 0 0 199.685 2.752 10 0 AFAERN Cc1cc(C)c(SC(N)=O)c(C)c1 259147591 573642267 /nfs/dbraw/zinc/64/22/67/573642267.db2.gz FKMNIYICIDOSIE-UHFFFAOYSA-N 0 0 195.287 2.783 10 0 AFAERN COc1ccc2c(C)c(F)cnc2c1 257839378 573642270 /nfs/dbraw/zinc/64/22/70/573642270.db2.gz LPTQIUVOMNLZQV-UHFFFAOYSA-N 0 0 191.205 2.691 10 0 AFAERN C[C@H]1CCC[C@](C)(CCO)C1 238463990 573642869 /nfs/dbraw/zinc/64/28/69/573642869.db2.gz MENFXRGZYHDFEZ-VHSXEESVSA-N 0 0 156.269 2.585 10 0 AFAERN C[C@H]1c2cccc(Cl)c2CC[C@@H]1O 259147748 573642375 /nfs/dbraw/zinc/64/23/75/573642375.db2.gz GUQMZTUKEQAOQK-CPCISQLKSA-N 0 0 196.677 2.751 10 0 AFAERN Cc1cc(F)ccc1C(=O)[C@@H]1C[C@H]1C 83806706 573642386 /nfs/dbraw/zinc/64/23/86/573642386.db2.gz VFRQQPQDTRQBJF-LDYMZIIASA-N 0 0 192.233 2.973 10 0 AFAERN C[C@H]1c2cccc(Cl)c2CC[C@H]1O 259147773 573642391 /nfs/dbraw/zinc/64/23/91/573642391.db2.gz GUQMZTUKEQAOQK-WRWORJQWSA-N 0 0 196.677 2.751 10 0 AFAERN CC[C@H]1CC[C@@H](c2nc(Cl)n[nH]2)C1 83803904 573642404 /nfs/dbraw/zinc/64/24/04/573642404.db2.gz WXDPFALQYOVBEW-NKWVEPMBSA-N 0 0 199.685 2.752 10 0 AFAERN Cc1ccc(F)cc1C(=O)[C@@H]1C[C@@H]1C 83806573 573642425 /nfs/dbraw/zinc/64/24/25/573642425.db2.gz KHMKWLHYJZYBCO-WCBMZHEXSA-N 0 0 192.233 2.973 10 0 AFAERN CC1(C)C[C@@H](O)c2cc(F)ccc21 86832659 573642429 /nfs/dbraw/zinc/64/24/29/573642429.db2.gz UKSTWVPNRQORQJ-SNVBAGLBSA-N 0 0 180.222 2.540 10 0 AFAERN Cc1ccc2c(c1)[C@H](O)CC2(C)C 86832626 573642441 /nfs/dbraw/zinc/64/24/41/573642441.db2.gz WDZDRQLZLLNEKB-LLVKDONJSA-N 0 0 176.259 2.710 10 0 AFAERN C[C@@H]1C(=O)CCc2c(Cl)cccc21 259148016 573642449 /nfs/dbraw/zinc/64/24/49/573642449.db2.gz GVPNTXWBGOKPNB-ZETCQYMHSA-N 0 0 194.661 2.959 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1cccc(F)c1 83806508 573642472 /nfs/dbraw/zinc/64/24/72/573642472.db2.gz RPGYAVCWLCGWSK-XCBNKYQSSA-N 0 0 178.206 2.664 10 0 AFAERN CC(C)CCC(=O)[C@@H]1C[C@H]1C 83806445 573642497 /nfs/dbraw/zinc/64/24/97/573642497.db2.gz ZLJOPYJATDCESJ-RKDXNWHRSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccc(F)c(C(=O)[C@@H]2C[C@@H]2C)c1 83807100 573642558 /nfs/dbraw/zinc/64/25/58/573642558.db2.gz GPNBFVBBGDXEDV-DTWKUNHWSA-N 0 0 192.233 2.973 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1cccc(F)c1F 83807269 573642644 /nfs/dbraw/zinc/64/26/44/573642644.db2.gz IKPPEINWTZUDIQ-HTRCEHHLSA-N 0 0 196.196 2.804 10 0 AFAERN C[C@@H]1[C@H]2C=C[C@@H]1c1c(N)cccc12 238464058 573642702 /nfs/dbraw/zinc/64/27/02/573642702.db2.gz KWTVNIDCFIFDDF-HLTSFMKQSA-N 0 0 171.243 2.656 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1cc(F)cc(F)c1 83806565 573642718 /nfs/dbraw/zinc/64/27/18/573642718.db2.gz BHPUAWKNAHWCSF-LDWIPMOCSA-N 0 0 196.196 2.804 10 0 AFAERN CCc1ccc2c(c1)[C@@H](O)CC2(C)C 86832661 573644441 /nfs/dbraw/zinc/64/44/41/573644441.db2.gz KGOJLERVZMOQLP-LBPRGKRZSA-N 0 0 190.286 2.964 10 0 AFAERN Cc1ncc(C(F)F)cc1CF 238464071 573644445 /nfs/dbraw/zinc/64/44/45/573644445.db2.gz GWAIHQWKUZLXAS-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN COc1ccccc1C(=O)[C@H]1C[C@H]1C 83807055 573644469 /nfs/dbraw/zinc/64/44/69/573644469.db2.gz QFJYJPGYNCMLAM-SCZZXKLOSA-N 0 0 190.242 2.534 10 0 AFAERN O=Cc1ccnc(Nc2ccccc2)c1 257838359 573643688 /nfs/dbraw/zinc/64/36/88/573643688.db2.gz AXULBLDMEHPQEB-UHFFFAOYSA-N 0 0 198.225 2.638 10 0 AFAERN OCC1(c2ccc3ccccc3c2)CC1 257838317 573643705 /nfs/dbraw/zinc/64/37/05/573643705.db2.gz JFGVUZLIFPIKJC-UHFFFAOYSA-N 0 0 198.265 2.864 10 0 AFAERN CC[C@H]1CC[C@H](c2nc(Cl)n[nH]2)C1 83803899 573643765 /nfs/dbraw/zinc/64/37/65/573643765.db2.gz WXDPFALQYOVBEW-BQBZGAKWSA-N 0 0 199.685 2.752 10 0 AFAERN Cc1ccc(F)c(C(=O)[C@H]2C[C@@H]2C)c1 83807102 573643788 /nfs/dbraw/zinc/64/37/88/573643788.db2.gz GPNBFVBBGDXEDV-IUCAKERBSA-N 0 0 192.233 2.973 10 0 AFAERN CC1(C)C[C@H](O)c2cc(F)cc(F)c21 86832662 573643840 /nfs/dbraw/zinc/64/38/40/573643840.db2.gz JCRICXOTLIUOCC-VIFPVBQESA-N 0 0 198.212 2.680 10 0 AFAERN Cc1ccccc1-c1ccc(N)c(N)c1 257838875 573643898 /nfs/dbraw/zinc/64/38/98/573643898.db2.gz BAQREXCSPVSHCF-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN Cc1nc([C@@H]2C[C@H]2C)nc(Cl)c1C 83806204 573643902 /nfs/dbraw/zinc/64/39/02/573643902.db2.gz VNPZVWWJDUTDOF-SVGQVSJJSA-N 0 0 196.681 2.870 10 0 AFAERN CCc1cc(Cl)nc([C@@H]2C[C@@H]2C)n1 83806179 573643952 /nfs/dbraw/zinc/64/39/52/573643952.db2.gz YTQTWPDFJWTZBC-POYBYMJQSA-N 0 0 196.681 2.816 10 0 AFAERN Cc1cccnc1-c1ccccc1O 238462922 573644023 /nfs/dbraw/zinc/64/40/23/573644023.db2.gz GJOSSPGFTGTHSW-UHFFFAOYSA-N 0 0 185.226 2.763 10 0 AFAERN CC[C@]1(C)CC[C@@](O)(C(F)(F)F)C1 107784691 573644040 /nfs/dbraw/zinc/64/40/40/573644040.db2.gz NBCAYEUJYOPARS-SFYZADRCSA-N 0 0 196.212 2.880 10 0 AFAERN C[C@@H]1C[C@H]2C[C@@H](CC1=O)C2(C)C 238463732 573644092 /nfs/dbraw/zinc/64/40/92/573644092.db2.gz UDWAYCNUKUCOPI-VGMNWLOBSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@H]2C)cs1 83807176 573644416 /nfs/dbraw/zinc/64/44/16/573644416.db2.gz DPQGKKWAYPVOPA-HZGVNTEJSA-N 0 0 180.272 2.895 10 0 AFAERN Cc1cc(F)ccc1C(=O)[C@H]1C[C@H]1C 83806707 573644128 /nfs/dbraw/zinc/64/41/28/573644128.db2.gz VFRQQPQDTRQBJF-KCJUWKMLSA-N 0 0 192.233 2.973 10 0 AFAERN C[C@@H]1C(=O)C[C@H]1C[Si](C)(C)C 238462542 573644189 /nfs/dbraw/zinc/64/41/89/573644189.db2.gz XDFBDZASVTXFQQ-YUMQZZPRSA-N 0 0 170.328 2.550 10 0 AFAERN CCC(=O)c1ccc2ccccn12 75601059 573644255 /nfs/dbraw/zinc/64/42/55/573644255.db2.gz IWSIQOYRPBJYOW-UHFFFAOYSA-N 0 0 173.215 2.532 10 0 AFAERN CCCCC(=O)Cc1ccoc1 130669243 573644264 /nfs/dbraw/zinc/64/42/64/573644264.db2.gz LIDUOMSUFGTCRF-UHFFFAOYSA-N 0 0 166.220 2.581 10 0 AFAERN CCc1cc(Cl)nc([C@@H]2C[C@H]2C)n1 83806182 573644278 /nfs/dbraw/zinc/64/42/78/573644278.db2.gz YTQTWPDFJWTZBC-HTRCEHHLSA-N 0 0 196.681 2.816 10 0 AFAERN Cc1ccc(F)c(C(=O)[C@H]2C[C@H]2C)c1 83807105 573644341 /nfs/dbraw/zinc/64/43/41/573644341.db2.gz GPNBFVBBGDXEDV-BDAKNGLRSA-N 0 0 192.233 2.973 10 0 AFAERN Cc1ccc2c(c1)[C@@H](O)CC2(C)C 86832627 573644360 /nfs/dbraw/zinc/64/43/60/573644360.db2.gz WDZDRQLZLLNEKB-NSHDSACASA-N 0 0 176.259 2.710 10 0 AFAERN CCCOCC[C@H](O)[C@@H](C)CCC 233234926 573644372 /nfs/dbraw/zinc/64/43/72/573644372.db2.gz RRQCWYDMADHDGF-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CC[C@@H]1CC[C@@H](c2nc(Cl)n[nH]2)C1 83803902 573644382 /nfs/dbraw/zinc/64/43/82/573644382.db2.gz WXDPFALQYOVBEW-RNFRBKRXSA-N 0 0 199.685 2.752 10 0 AFAERN Cc1cccc2c([C@@H](C)CO)coc12 257838158 573644517 /nfs/dbraw/zinc/64/45/17/573644517.db2.gz BCJYHENBDIVBHB-VIFPVBQESA-N 0 0 190.242 2.837 10 0 AFAERN CC(C)CCC(=O)[C@H]1C[C@H]1C 83806441 573644563 /nfs/dbraw/zinc/64/45/63/573644563.db2.gz ZLJOPYJATDCESJ-BDAKNGLRSA-N 0 0 154.253 2.648 10 0 AFAERN OCc1cc2c(Cl)cccc2o1 257839645 573644557 /nfs/dbraw/zinc/64/45/57/573644557.db2.gz BLDJVKNJQVQZFP-UHFFFAOYSA-N 0 0 182.606 2.579 10 0 AFAERN Cc1nc(C2(C)CCC2)sc1C=O 257838926 573644565 /nfs/dbraw/zinc/64/45/65/573644565.db2.gz BCQWDAQSQIBWGC-UHFFFAOYSA-N 0 0 195.287 2.706 10 0 AFAERN CON[C@@H](C)c1cc(C)ccc1C 96812133 573644578 /nfs/dbraw/zinc/64/45/78/573644578.db2.gz QLMURVQLWQTTKA-JTQLQIEISA-N 0 0 179.263 2.515 10 0 AFAERN OCc1ccccc1[C@H]1CCC[C@@H]1F 259541031 573644634 /nfs/dbraw/zinc/64/46/34/573644634.db2.gz BSTSWPLZRGDTGO-NEPJUHHUSA-N 0 0 194.249 2.785 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@H]2C)ccc1F 83806840 573644662 /nfs/dbraw/zinc/64/46/62/573644662.db2.gz SFMFFWXJWSFVHS-GMSGAONNSA-N 0 0 192.233 2.973 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)CC1CCCC1 83806561 573644668 /nfs/dbraw/zinc/64/46/68/573644668.db2.gz OXYWGZOFORFPOS-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)[C@H]1C(C)=C(C)C[C@@H]1C 238463637 573644713 /nfs/dbraw/zinc/64/47/13/573644713.db2.gz RZIDSFVRVXUKER-OIBJUYFYSA-N 0 0 152.237 2.568 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1cccc(F)c1F 83807272 573644751 /nfs/dbraw/zinc/64/47/51/573644751.db2.gz IKPPEINWTZUDIQ-POYBYMJQSA-N 0 0 196.196 2.804 10 0 AFAERN CC1(C)CCCC[C@@H]1Nc1cn[nH]c1 86843015 573644810 /nfs/dbraw/zinc/64/48/10/573644810.db2.gz AOPYLNWOQBANLO-JTQLQIEISA-N 0 0 193.294 2.790 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1cccc(F)c1 83806509 573644867 /nfs/dbraw/zinc/64/48/67/573644867.db2.gz RPGYAVCWLCGWSK-XVKPBYJWSA-N 0 0 178.206 2.664 10 0 AFAERN CC(C)CNc1cccc(N(C)C)c1 107786692 573644870 /nfs/dbraw/zinc/64/48/70/573644870.db2.gz LSPCLGOYBJBHCK-UHFFFAOYSA-N 0 0 192.306 2.821 10 0 AFAERN CC[C@@]1(C)CC[C@](O)(C(F)(F)F)C1 107784687 573644930 /nfs/dbraw/zinc/64/49/30/573644930.db2.gz NBCAYEUJYOPARS-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1c(N)ccc(OCC(C)C)c1C 96841234 573644933 /nfs/dbraw/zinc/64/49/33/573644933.db2.gz NVKDOSILXJBDML-UHFFFAOYSA-N 0 0 193.290 2.920 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1ccccc1F 83807228 573644899 /nfs/dbraw/zinc/64/48/99/573644899.db2.gz QVKCUOUMCMLQKS-APPZFPTMSA-N 0 0 178.206 2.664 10 0 AFAERN CC1(C)C[C@@H](O)c2cc(F)cc(F)c21 86832663 573644904 /nfs/dbraw/zinc/64/49/04/573644904.db2.gz JCRICXOTLIUOCC-SECBINFHSA-N 0 0 198.212 2.680 10 0 AFAERN Cc1cccc([C@H](O)C(C)(C)C)c1N 257845751 573644972 /nfs/dbraw/zinc/64/49/72/573644972.db2.gz NNOAGZBDZGJVIQ-NSHDSACASA-N 0 0 193.290 2.657 10 0 AFAERN CCc1cc(Cl)nc([C@H]2C[C@@H]2C)n1 83806181 573644984 /nfs/dbraw/zinc/64/49/84/573644984.db2.gz YTQTWPDFJWTZBC-XPUUQOCRSA-N 0 0 196.681 2.816 10 0 AFAERN C[C@@]12CCC(=O)[C@@H](C1)[C@@H]1CC=C[C@@H]12 238463007 573645137 /nfs/dbraw/zinc/64/51/37/573645137.db2.gz FGNAJEQNGMUKSH-QFOLPQNPSA-N 0 0 176.259 2.568 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)CC1CCCC1 83806557 573645160 /nfs/dbraw/zinc/64/51/60/573645160.db2.gz OXYWGZOFORFPOS-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1c(C)c(Cl)c(C)c(C=O)c1O 259539066 573645251 /nfs/dbraw/zinc/64/52/51/573645251.db2.gz VANVIHVOAFVRQS-UHFFFAOYSA-N 0 0 198.649 2.783 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1cc(F)cc(F)c1 83806569 573645272 /nfs/dbraw/zinc/64/52/72/573645272.db2.gz BHPUAWKNAHWCSF-LHLIQPBNSA-N 0 0 196.196 2.804 10 0 AFAERN CC[C@@H]1CC[C@H](c2nc(C=O)c[nH]2)C1 83803843 573645312 /nfs/dbraw/zinc/64/53/12/573645312.db2.gz AZJMHGSZUJFLKX-BDAKNGLRSA-N 0 0 192.262 2.516 10 0 AFAERN Cc1c(C(F)F)ncc(N)c1Cl 238463348 573645338 /nfs/dbraw/zinc/64/53/38/573645338.db2.gz RGYLMZRBNPODQM-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)C1CCCCC1 83806851 573645381 /nfs/dbraw/zinc/64/53/81/573645381.db2.gz VOYOMOMJHQGUNK-SCZZXKLOSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)CCCC[C@H]1n1nccc1N 86846034 573645412 /nfs/dbraw/zinc/64/54/12/573645412.db2.gz BBRUSPBERQLHSK-SECBINFHSA-N 0 0 193.294 2.607 10 0 AFAERN CC(=O)[C@@H]1C(C)=C(C)C[C@@H]1C 238463709 573645413 /nfs/dbraw/zinc/64/54/13/573645413.db2.gz RZIDSFVRVXUKER-XVKPBYJWSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1nc([C@@H]2C[C@@H]2C)nc(Cl)c1C 83806199 573645419 /nfs/dbraw/zinc/64/54/19/573645419.db2.gz VNPZVWWJDUTDOF-YLWLKBPMSA-N 0 0 196.681 2.870 10 0 AFAERN Cc1cc(C(=O)[C@@H]2C[C@@H]2C)ccc1F 83806834 573646690 /nfs/dbraw/zinc/64/66/90/573646690.db2.gz SFMFFWXJWSFVHS-OIBJUYFYSA-N 0 0 192.233 2.973 10 0 AFAERN CC1(C)CCCC[C@@H]1n1nccc1N 86846031 573645479 /nfs/dbraw/zinc/64/54/79/573645479.db2.gz BBRUSPBERQLHSK-VIFPVBQESA-N 0 0 193.294 2.607 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1cccc(F)c1F 83807266 573646694 /nfs/dbraw/zinc/64/66/94/573646694.db2.gz IKPPEINWTZUDIQ-SVRRBLITSA-N 0 0 196.196 2.804 10 0 AFAERN CCc1cc(Cl)cc(C(C)=O)c1O 75600985 573645485 /nfs/dbraw/zinc/64/54/85/573645485.db2.gz FYEDRCRROSKRTH-UHFFFAOYSA-N 0 0 198.649 2.811 10 0 AFAERN Cc1cc2c(cc1O)CC[C@H](C)C2 238463402 573645495 /nfs/dbraw/zinc/64/54/95/573645495.db2.gz ASXFZGPOXRRONT-QMMMGPOBSA-N 0 0 176.259 2.825 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1cccc(F)c1F 83807268 573645531 /nfs/dbraw/zinc/64/55/31/573645531.db2.gz IKPPEINWTZUDIQ-XPUUQOCRSA-N 0 0 196.196 2.804 10 0 AFAERN Cc1cccc2c([C@H](C)CO)coc12 257838156 573645534 /nfs/dbraw/zinc/64/55/34/573645534.db2.gz BCJYHENBDIVBHB-SECBINFHSA-N 0 0 190.242 2.837 10 0 AFAERN CON[C@H](C)c1cc(C)ccc1C 96812132 573645614 /nfs/dbraw/zinc/64/56/14/573645614.db2.gz QLMURVQLWQTTKA-SNVBAGLBSA-N 0 0 179.263 2.515 10 0 AFAERN COSc1ccc(F)c(C)c1 259149689 573645646 /nfs/dbraw/zinc/64/56/46/573645646.db2.gz FMXBKUBEFQCEQC-UHFFFAOYSA-N 0 0 172.224 2.788 10 0 AFAERN CC[C@H](C)CC(=O)[C@H]1C[C@@H]1C 83807098 573646704 /nfs/dbraw/zinc/64/67/04/573646704.db2.gz ZAVRGTJIOHNJQF-CIUDSAMLSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1c(Cl)c(O)cc2cccnc12 238463517 573645748 /nfs/dbraw/zinc/64/57/48/573645748.db2.gz MCMQKPXSBQIKRJ-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN OCc1ccccc1[C@@H]1CCC[C@@H]1F 259541038 573645778 /nfs/dbraw/zinc/64/57/78/573645778.db2.gz BSTSWPLZRGDTGO-RYUDHWBXSA-N 0 0 194.249 2.785 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1cccc(F)c1 83806512 573645796 /nfs/dbraw/zinc/64/57/96/573645796.db2.gz RPGYAVCWLCGWSK-OIBJUYFYSA-N 0 0 178.206 2.664 10 0 AFAERN Cc1ccc2cc(NCO)ccc2c1 258835047 573645813 /nfs/dbraw/zinc/64/58/13/573645813.db2.gz BPQDHJQSGDPIJA-UHFFFAOYSA-N 0 0 187.242 2.510 10 0 AFAERN CCCOCC[C@H]1CCCCCC1=O 233235062 573645829 /nfs/dbraw/zinc/64/58/29/573645829.db2.gz YNYIDAPAJJTUDO-LLVKDONJSA-N 0 0 198.306 2.953 10 0 AFAERN CCC[C@H]1CC[C@](O)(C(F)(F)F)C1 107784883 573645854 /nfs/dbraw/zinc/64/58/54/573645854.db2.gz HZOBHMMJMBVZEC-JGVFFNPUSA-N 0 0 196.212 2.880 10 0 AFAERN C/C=C\C(=O)c1csc(C)c1 387571116 573645862 /nfs/dbraw/zinc/64/58/62/573645862.db2.gz JFGONSQYBHKAJF-ARJAWSKDSA-N 0 0 166.245 2.815 10 0 AFAERN Cc1c(C(F)F)cnc(N)c1Cl 238463378 573645921 /nfs/dbraw/zinc/64/59/21/573645921.db2.gz KIOMZEUKXYWWHY-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1ccc([C@@H](O)C(C)(C)C)c(N)c1 257838621 573646718 /nfs/dbraw/zinc/64/67/18/573646718.db2.gz LKEOBQROUWGVDI-LLVKDONJSA-N 0 0 193.290 2.657 10 0 AFAERN CCNc1cc(C)c(Cl)cc1N 258833848 573645940 /nfs/dbraw/zinc/64/59/40/573645940.db2.gz ABAHKMGVBCWPEY-UHFFFAOYSA-N 0 0 184.670 2.662 10 0 AFAERN C[C@@]12CCCC1=Cc1ccncc1N2 238463966 573645944 /nfs/dbraw/zinc/64/59/44/573645944.db2.gz QNMVVELYPOHTEG-GFCCVEGCSA-N 0 0 186.258 2.833 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1cccc(F)c1 83806510 573645952 /nfs/dbraw/zinc/64/59/52/573645952.db2.gz RPGYAVCWLCGWSK-GMSGAONNSA-N 0 0 178.206 2.664 10 0 AFAERN Cc1cccnc1Cc1ncccc1C 308874238 573646061 /nfs/dbraw/zinc/64/60/61/573646061.db2.gz CORIRYNSUBETLI-UHFFFAOYSA-N 0 0 198.269 2.684 10 0 AFAERN COc1cccc(C(=O)[C@@H]2C[C@H]2C)c1 83807194 573646072 /nfs/dbraw/zinc/64/60/72/573646072.db2.gz CCHKMGWXFUYCAM-LDYMZIIASA-N 0 0 190.242 2.534 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)C1CCCCC1 83806854 573646128 /nfs/dbraw/zinc/64/61/28/573646128.db2.gz VOYOMOMJHQGUNK-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1ccccc1C(=O)[C@H]1C[C@@H]1C 83806309 573646197 /nfs/dbraw/zinc/64/61/97/573646197.db2.gz IHVITFHVKCWVHB-ONGXEEELSA-N 0 0 174.243 2.834 10 0 AFAERN Cc1cccc([C@@H](O)C(C)(C)C)c1N 257845750 573646199 /nfs/dbraw/zinc/64/61/99/573646199.db2.gz NNOAGZBDZGJVIQ-LLVKDONJSA-N 0 0 193.290 2.657 10 0 AFAERN Cc1cc(Cl)nc([C@H]2C[C@H]2C)n1 83806164 573646214 /nfs/dbraw/zinc/64/62/14/573646214.db2.gz QMYBLLKRHDDYKB-VDTYLAMSSA-N 0 0 182.654 2.562 10 0 AFAERN CCc1ccc(Cl)c(C(C)=O)c1O 75600987 573647086 /nfs/dbraw/zinc/64/70/86/573647086.db2.gz IFNINLZXEIYPCL-UHFFFAOYSA-N 0 0 198.649 2.811 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1cc(F)cc(F)c1 83806566 573646231 /nfs/dbraw/zinc/64/62/31/573646231.db2.gz BHPUAWKNAHWCSF-WKEGUHRASA-N 0 0 196.196 2.804 10 0 AFAERN CC1(C)CCCc2cc(Cl)nnc21 86844959 573646289 /nfs/dbraw/zinc/64/62/89/573646289.db2.gz NXFVJNNZFOKWSY-UHFFFAOYSA-N 0 0 196.681 2.744 10 0 AFAERN Cc1ccc(F)cc1C(=O)[C@@H]1C[C@H]1C 83806576 573646295 /nfs/dbraw/zinc/64/62/95/573646295.db2.gz KHMKWLHYJZYBCO-PSASIEDQSA-N 0 0 192.233 2.973 10 0 AFAERN CC[C@H]1CC[C@@H](c2nc(C=O)c[nH]2)C1 83803849 573646304 /nfs/dbraw/zinc/64/63/04/573646304.db2.gz AZJMHGSZUJFLKX-DTWKUNHWSA-N 0 0 192.262 2.516 10 0 AFAERN Cc1c(C(F)F)c[nH]c(=O)c1Cl 238463563 573646362 /nfs/dbraw/zinc/64/63/62/573646362.db2.gz QSWCXWLXWUVLJI-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1ccccc1C(=O)[C@H]1C[C@H]1C 83806313 573646383 /nfs/dbraw/zinc/64/63/83/573646383.db2.gz IHVITFHVKCWVHB-KOLCDFICSA-N 0 0 174.243 2.834 10 0 AFAERN Cc1ccc(C2(CO)CC2)cc1Cl 257839101 573646453 /nfs/dbraw/zinc/64/64/53/573646453.db2.gz NDMRKUJFUUXCSZ-UHFFFAOYSA-N 0 0 196.677 2.672 10 0 AFAERN Cc1nc([C@H]2C[C@@H]2C)nc(Cl)c1C 83806201 573646481 /nfs/dbraw/zinc/64/64/81/573646481.db2.gz VNPZVWWJDUTDOF-XNCJUZBTSA-N 0 0 196.681 2.870 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1ccsc1 83806869 573646488 /nfs/dbraw/zinc/64/64/88/573646488.db2.gz CUBSXHGXPSGZQP-HTRCEHHLSA-N 0 0 166.245 2.587 10 0 AFAERN Cc1cc2c(cc1O)C[C@@H](C)CC2 238463047 573646497 /nfs/dbraw/zinc/64/64/97/573646497.db2.gz XRLIMVFKJXWIEG-QMMMGPOBSA-N 0 0 176.259 2.825 10 0 AFAERN CCCCCC[C@@H]1NC(=O)[C@]1(C)CC 308654558 573646547 /nfs/dbraw/zinc/64/65/47/573646547.db2.gz MQJZSZCLRRYUNX-CMPLNLGQSA-N 0 0 197.322 2.872 10 0 AFAERN OCCc1csc2ccc(F)cc12 257839712 573646602 /nfs/dbraw/zinc/64/66/02/573646602.db2.gz BNNBPWMTMWNJNO-UHFFFAOYSA-N 0 0 196.246 2.575 10 0 AFAERN C[C@@]12CCC(=O)[C@@H]1C[C@@H]1CCC[C@@H]12 238463037 573646656 /nfs/dbraw/zinc/64/66/56/573646656.db2.gz DMLOAGSSDAZVMM-GMOBBJLQSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)CCC(=O)[C@H]1C[C@@H]1C 83806443 573646658 /nfs/dbraw/zinc/64/66/58/573646658.db2.gz ZLJOPYJATDCESJ-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)Nc1ccc(O)c(Cl)c1 107724409 573646666 /nfs/dbraw/zinc/64/66/66/573646666.db2.gz NFRPYGDDZMSVLW-UHFFFAOYSA-N 0 0 185.654 2.866 10 0 AFAERN CC[C@@H]1CC[C@@H](c2nc(C=O)c[nH]2)C1 83803847 573646680 /nfs/dbraw/zinc/64/66/80/573646680.db2.gz AZJMHGSZUJFLKX-RKDXNWHRSA-N 0 0 192.262 2.516 10 0 AFAERN CCCNc1ccncc1Cl 86833003 573646745 /nfs/dbraw/zinc/64/67/45/573646745.db2.gz QCEHSJVFOASAAT-UHFFFAOYSA-N 0 0 170.643 2.557 10 0 AFAERN Cc1cc(C(=O)[C@H]2C[C@@H]2C)cs1 83807175 573646757 /nfs/dbraw/zinc/64/67/57/573646757.db2.gz DPQGKKWAYPVOPA-RCOVLWMOSA-N 0 0 180.272 2.895 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1ccccc1F 83807233 573646770 /nfs/dbraw/zinc/64/67/70/573646770.db2.gz QVKCUOUMCMLQKS-IONNQARKSA-N 0 0 178.206 2.664 10 0 AFAERN COc1cccc(C(=O)[C@H]2C[C@@H]2C)c1 83807192 573646819 /nfs/dbraw/zinc/64/68/19/573646819.db2.gz CCHKMGWXFUYCAM-KWQFWETISA-N 0 0 190.242 2.534 10 0 AFAERN COc1cccc(C(=O)[C@@H]2C[C@@H]2C)c1 83807196 573646870 /nfs/dbraw/zinc/64/68/70/573646870.db2.gz CCHKMGWXFUYCAM-GZMMTYOYSA-N 0 0 190.242 2.534 10 0 AFAERN CCON[C@@H]1CCCc2ccccc21 96812138 573646909 /nfs/dbraw/zinc/64/69/09/573646909.db2.gz ACBNVPJJMLVJGQ-GFCCVEGCSA-N 0 0 191.274 2.605 10 0 AFAERN Nc1ccc(F)cc1CC(F)(F)F 257838660 573646943 /nfs/dbraw/zinc/64/69/43/573646943.db2.gz LKRAEYUSTRUUGS-UHFFFAOYSA-N 0 0 193.143 2.513 10 0 AFAERN CC[C@]1(C)CC[C@](O)(C(F)(F)F)C1 107784684 573646957 /nfs/dbraw/zinc/64/69/57/573646957.db2.gz NBCAYEUJYOPARS-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN CC(C)c1noc2ccc(C=O)cc12 257845748 573646968 /nfs/dbraw/zinc/64/69/68/573646968.db2.gz NNKJISLVGZTMAR-UHFFFAOYSA-N 0 0 189.214 2.764 10 0 AFAERN CCC[C@@H]1CC[C@](O)(C(F)(F)F)C1 107784881 573646972 /nfs/dbraw/zinc/64/69/72/573646972.db2.gz HZOBHMMJMBVZEC-HTQZYQBOSA-N 0 0 196.212 2.880 10 0 AFAERN CC1(C)CCCC[C@]1(O)C(F)(F)F 86849609 573649753 /nfs/dbraw/zinc/64/97/53/573649753.db2.gz BVNRNOPTEOMEID-MRVPVSSYSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@@]1(c2ccccc2C)C[C@@H]1CO 257839790 573648564 /nfs/dbraw/zinc/64/85/64/573648564.db2.gz LSNPORKNRIDVKN-DGCLKSJQSA-N 0 0 190.286 2.655 10 0 AFAERN Cc1cc(C)cc(/C=C/CCO)c1 238457775 573648576 /nfs/dbraw/zinc/64/85/76/573648576.db2.gz GSIJCPIMXJRGIG-HWKANZROSA-N 0 0 176.259 2.699 10 0 AFAERN CC[C@@H](O)[C@@H]1CCCCC1(C)C 86849582 573647961 /nfs/dbraw/zinc/64/79/61/573647961.db2.gz GXMFQTYWYCAVJS-VHSXEESVSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)=C=C1[C@H]([C@@H](C)O)C1(C)C 238466426 573648050 /nfs/dbraw/zinc/64/80/50/573648050.db2.gz VWMJAMDGLLXQET-SCZZXKLOSA-N 0 0 166.264 2.515 10 0 AFAERN CC1=CC=C[C@]2(C)C[C@H](C)C(=O)[C@@H]12 238465974 573648191 /nfs/dbraw/zinc/64/81/91/573648191.db2.gz MHVHHCMLDNVQPT-HOSYDEDBSA-N 0 0 176.259 2.734 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)c1c(F)cccc1F 83807277 573648224 /nfs/dbraw/zinc/64/82/24/573648224.db2.gz BXOPQBJHEJCERU-BQBZGAKWSA-N 0 0 196.196 2.804 10 0 AFAERN CC[C@H](O)[C@@H]1CCCCC1(C)C 86849580 573648265 /nfs/dbraw/zinc/64/82/65/573648265.db2.gz GXMFQTYWYCAVJS-UWVGGRQHSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)c1c(F)cccc1F 83807274 573648284 /nfs/dbraw/zinc/64/82/84/573648284.db2.gz BXOPQBJHEJCERU-RQJHMYQMSA-N 0 0 196.196 2.804 10 0 AFAERN Cc1ccc(C2OCCCO2)c(C)c1 258831214 573648290 /nfs/dbraw/zinc/64/82/90/573648290.db2.gz PDNBGJJJTSDKJN-UHFFFAOYSA-N 0 0 192.258 2.739 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)c1c(F)cccc1F 83807278 573648321 /nfs/dbraw/zinc/64/83/21/573648321.db2.gz BXOPQBJHEJCERU-RNFRBKRXSA-N 0 0 196.196 2.804 10 0 AFAERN CC1(C)CCCC[C@@]1(N)C(F)(F)F 86850092 573648417 /nfs/dbraw/zinc/64/84/17/573648417.db2.gz RXRWENUKYJZAMM-QMMMGPOBSA-N 0 0 195.228 2.846 10 0 AFAERN CC(=O)Cc1ccc(C)c2c1CCC2 258080663 573648436 /nfs/dbraw/zinc/64/84/36/573648436.db2.gz NBHZAJZXGYGMLX-UHFFFAOYSA-N 0 0 188.270 2.615 10 0 AFAERN Cc1cc(=O)c(C(F)F)c(Cl)[nH]1 238466395 573648519 /nfs/dbraw/zinc/64/85/19/573648519.db2.gz LBQFEXDIRPQIHN-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)c1ccccc1F 83807618 573648449 /nfs/dbraw/zinc/64/84/49/573648449.db2.gz JNQHIGHRPIXPMY-BCMRRPTOSA-N 0 0 180.222 2.515 10 0 AFAERN Cc1ccc(F)c([C@H](O)[C@@H]2C[C@@H]2C)c1 83807944 573648458 /nfs/dbraw/zinc/64/84/58/573648458.db2.gz MRMRBAKDISMNBA-YGOYTEALSA-N 0 0 194.249 2.824 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)c1cccc(F)c1F 83807490 573648485 /nfs/dbraw/zinc/64/84/85/573648485.db2.gz KACUQFFELZBZLF-AZTOOPQRSA-N 0 0 198.212 2.654 10 0 AFAERN Cc1cccc(C(=O)[C@H]2C[C@@H]2C)c1 83807316 573651332 /nfs/dbraw/zinc/65/13/32/573651332.db2.gz FRCBZTSQKMNEDN-ONGXEEELSA-N 0 0 174.243 2.834 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)c1cccc(F)c1 83807700 573651340 /nfs/dbraw/zinc/65/13/40/573651340.db2.gz BFFGACYVGCKAFS-AVPPRXQKSA-N 0 0 180.222 2.515 10 0 AFAERN CN(C)c1cccc(NCC2CC2)c1 107786688 573649388 /nfs/dbraw/zinc/64/93/88/573649388.db2.gz UYHRSQUOFBVZKF-UHFFFAOYSA-N 0 0 190.290 2.575 10 0 AFAERN CCc1ccc2c(c1)[C@H](N(C)O)CC2 96865583 573649408 /nfs/dbraw/zinc/64/94/08/573649408.db2.gz RFFFOCOQIVIKPP-GFCCVEGCSA-N 0 0 191.274 2.557 10 0 AFAERN CCC[C@H]1CC[C@@](O)(C(F)(F)F)C1 107784888 573649419 /nfs/dbraw/zinc/64/94/19/573649419.db2.gz HZOBHMMJMBVZEC-YUMQZZPRSA-N 0 0 196.212 2.880 10 0 AFAERN CC1(C)CCCC[C@]1(O)C1CC1 86849024 573649469 /nfs/dbraw/zinc/64/94/69/573649469.db2.gz DTXAGNAMVPTUPZ-NSHDSACASA-N 0 0 168.280 2.728 10 0 AFAERN Cc1oc(CO)nc1C1CCCCC1 257840774 573649478 /nfs/dbraw/zinc/64/94/78/573649478.db2.gz LZZGVQPKUREMTC-UHFFFAOYSA-N 0 0 195.262 2.523 10 0 AFAERN C[C@@]1(CC2CCCCC2)C[C@H]1CO 689816624 573649506 /nfs/dbraw/zinc/64/95/06/573649506.db2.gz CPDQVTQZBVQMQH-NWDGAFQWSA-N 0 0 182.307 2.975 10 0 AFAERN CC[C@]1(c2ccccc2C)C[C@@H]1CO 257839792 573649517 /nfs/dbraw/zinc/64/95/17/573649517.db2.gz LSNPORKNRIDVKN-YPMHNXCESA-N 0 0 190.286 2.655 10 0 AFAERN Cc1cccc2ccccc1c2=O 238457738 573649547 /nfs/dbraw/zinc/64/95/47/573649547.db2.gz DACULLDBFGRKRV-UHFFFAOYSA-N 0 0 170.211 2.508 10 0 AFAERN OCc1ccccc1[C@H]1CCC[C@H]1F 259541040 573649560 /nfs/dbraw/zinc/64/95/60/573649560.db2.gz BSTSWPLZRGDTGO-VXGBXAGGSA-N 0 0 194.249 2.785 10 0 AFAERN Cc1cc(F)c(CC2(O)CC2)cc1C 258080687 573649582 /nfs/dbraw/zinc/64/95/82/573649582.db2.gz NCJAJPRFAYLYFP-UHFFFAOYSA-N 0 0 194.249 2.510 10 0 AFAERN CC(=O)c1sc([C@@H]2C[C@@H]2C)nc1C 83809701 573649602 /nfs/dbraw/zinc/64/96/02/573649602.db2.gz PEIFAWZRJZTGTR-YLWLKBPMSA-N 0 0 195.287 2.778 10 0 AFAERN Cc1cc2ccc([C@H](C)O)cc2cn1 258080620 573649631 /nfs/dbraw/zinc/64/96/31/573649631.db2.gz MZQMMMCCPUNJGU-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN C[C@@H](O)[C@@H]1CCCCC1(C)C 86849568 573649684 /nfs/dbraw/zinc/64/96/84/573649684.db2.gz JDSNDLQXBUEWQA-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1C[C@H]1[C@@H](O)[C@H]1CCC[C@@H](C)C1 83807832 573649685 /nfs/dbraw/zinc/64/96/85/573649685.db2.gz AJFNLXJVMFULMO-IIRVCBMXSA-N 0 0 182.307 2.830 10 0 AFAERN C[C@H]1[C@H](O)CCCCC1(C)C 238466024 573649785 /nfs/dbraw/zinc/64/97/85/573649785.db2.gz KLSTVFZYGMEELP-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1[C@H](O)CCC12CCCCC2 238465949 573649795 /nfs/dbraw/zinc/64/97/95/573649795.db2.gz OKDQNQIRAUBDNZ-VHSXEESVSA-N 0 0 168.280 2.728 10 0 AFAERN CCON[C@H]1CCCc2ccccc21 96812139 573649856 /nfs/dbraw/zinc/64/98/56/573649856.db2.gz ACBNVPJJMLVJGQ-LBPRGKRZSA-N 0 0 191.274 2.605 10 0 AFAERN Cc1cccc(C(=O)[C@@H]2C[C@H]2C)c1 83807318 573649864 /nfs/dbraw/zinc/64/98/64/573649864.db2.gz FRCBZTSQKMNEDN-MWLCHTKSSA-N 0 0 174.243 2.834 10 0 AFAERN Cc1cccc([C@H](O)[C@H]2C[C@@H]2C)c1 83807514 573649872 /nfs/dbraw/zinc/64/98/72/573649872.db2.gz VZFIHPZEEBGZCL-DLOVCJGASA-N 0 0 176.259 2.684 10 0 AFAERN C[C@@H](O)[C@H]1CCCCC1(C)C 86849572 573649873 /nfs/dbraw/zinc/64/98/73/573649873.db2.gz JDSNDLQXBUEWQA-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc(F)ccc1[C@H](O)[C@@H]1C[C@@H]1C 83807480 573649887 /nfs/dbraw/zinc/64/98/87/573649887.db2.gz CBVNLVIHUXIDDB-AXTRIDKLSA-N 0 0 194.249 2.824 10 0 AFAERN Cc1ccccc1[C@H](O)[C@@H]1C[C@@H]1C 83807440 573649902 /nfs/dbraw/zinc/64/99/02/573649902.db2.gz QRAJGBGWROKHQV-WCQGTBRESA-N 0 0 176.259 2.684 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)c1cc(F)cc(F)c1 83807646 573649906 /nfs/dbraw/zinc/64/99/06/573649906.db2.gz OLUOTFYGZDRMGD-DIMCTHFVSA-N 0 0 198.212 2.654 10 0 AFAERN OCc1ccccc1[C@@H]1CCC[C@H]1F 259541037 573649951 /nfs/dbraw/zinc/64/99/51/573649951.db2.gz BSTSWPLZRGDTGO-NWDGAFQWSA-N 0 0 194.249 2.785 10 0 AFAERN C[C@H](O)[C@@H](C)C1CC2(CCC2)C1 717520649 573651373 /nfs/dbraw/zinc/65/13/73/573651373.db2.gz BENSPYIKDZUVII-BDAKNGLRSA-N 0 0 168.280 2.584 10 0 AFAERN Cc1cc([C@H](O)[C@@H]2C[C@@H]2C)ccc1F 83807773 573650001 /nfs/dbraw/zinc/65/00/01/573650001.db2.gz ASADPOIDKKTVOO-KOLSJAJHSA-N 0 0 194.249 2.824 10 0 AFAERN CC(C)(O)Cc1cc2ccccc2o1 257840469 573650052 /nfs/dbraw/zinc/65/00/52/573650052.db2.gz BRWPNCIMEHMKKM-UHFFFAOYSA-N 0 0 190.242 2.746 10 0 AFAERN Cc1cccc([C@H](O)[C@@H]2C[C@@H]2C)c1 83807512 573650125 /nfs/dbraw/zinc/65/01/25/573650125.db2.gz VZFIHPZEEBGZCL-WCQGTBRESA-N 0 0 176.259 2.684 10 0 AFAERN CC(=O)c1sc([C@H]2C[C@H]2C)nc1C 83809704 573650178 /nfs/dbraw/zinc/65/01/78/573650178.db2.gz PEIFAWZRJZTGTR-XRGYYRRGSA-N 0 0 195.287 2.778 10 0 AFAERN C[C@H](O)[C@H]1CCCCC1(C)C 86849570 573650216 /nfs/dbraw/zinc/65/02/16/573650216.db2.gz JDSNDLQXBUEWQA-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@]1(O)CCCCC1(C)C 86848993 573651379 /nfs/dbraw/zinc/65/13/79/573651379.db2.gz IGRLUGDGCRABMV-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN Cc1cc(O)cc2c1[C@H](C)C[C@@H](C)O2 238466445 573650285 /nfs/dbraw/zinc/65/02/85/573650285.db2.gz BQFBMFYFHVTBBN-VXNVDRBHSA-N 0 0 192.258 2.975 10 0 AFAERN Cc1cccc(C(=O)[C@H]2C[C@H]2C)c1 83807320 573650304 /nfs/dbraw/zinc/65/03/04/573650304.db2.gz FRCBZTSQKMNEDN-KOLCDFICSA-N 0 0 174.243 2.834 10 0 AFAERN CC(C)CCCCNc1cnccn1 96867153 573651386 /nfs/dbraw/zinc/65/13/86/573651386.db2.gz YHQHDAIABMQPDG-UHFFFAOYSA-N 0 0 193.294 2.715 10 0 AFAERN CC1(C)CCCC[C@@]1(O)C(F)(F)F 86849611 573650369 /nfs/dbraw/zinc/65/03/69/573650369.db2.gz BVNRNOPTEOMEID-QMMMGPOBSA-N 0 0 196.212 2.880 10 0 AFAERN COc1cccc2c1NCCC21CC1 257840296 573650370 /nfs/dbraw/zinc/65/03/70/573650370.db2.gz LWDYXVBBOSQIDG-UHFFFAOYSA-N 0 0 189.258 2.542 10 0 AFAERN C[C@]1(CC2CCCCC2)C[C@@H]1CO 689816622 573650403 /nfs/dbraw/zinc/65/04/03/573650403.db2.gz CPDQVTQZBVQMQH-NEPJUHHUSA-N 0 0 182.307 2.975 10 0 AFAERN Cc1ccc(F)cc1[C@H](O)[C@H]1C[C@@H]1C 83807990 573650464 /nfs/dbraw/zinc/65/04/64/573650464.db2.gz DGMKBBYEROHUKQ-PTOFAABTSA-N 0 0 194.249 2.824 10 0 AFAERN C[C@@H]1C[C@@H](C)[C@@H](O)c2ccccc21 238466617 573650489 /nfs/dbraw/zinc/65/04/89/573650489.db2.gz VXEVZGCRXLSKMT-KBVBSXBZSA-N 0 0 176.259 2.863 10 0 AFAERN C[C@@H]1CNc2ccccc2CS1 238458088 573653945 /nfs/dbraw/zinc/65/39/45/573653945.db2.gz PRODAMXJPNAHAF-MRVPVSSYSA-N 0 0 179.288 2.734 10 0 AFAERN C[C@]1(c2ccc(Cl)cc2)CC[C@H]1O 238466155 573650507 /nfs/dbraw/zinc/65/05/07/573650507.db2.gz SHVITGVMIGLWQL-GHMZBOCLSA-N 0 0 196.677 2.752 10 0 AFAERN C[C@@H]1C[C@H]1[C@H](O)CC1CCCC1 83807367 573650516 /nfs/dbraw/zinc/65/05/16/573650516.db2.gz WTXDBJTVHKHLGG-FBIMIBRVSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@@H]1C=C[C@H]2CCCC(=O)[C@@]2(C)C1 238466265 573650531 /nfs/dbraw/zinc/65/05/31/573650531.db2.gz ALUNMQWOXZWEPH-FOGDFJRCSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)c1ccc(F)c(C2(O)CC2)c1 258080635 573650570 /nfs/dbraw/zinc/65/05/70/573650570.db2.gz NAAXMZPRFHLBQU-UHFFFAOYSA-N 0 0 194.249 2.931 10 0 AFAERN Cc1ccc2c(c1C)C(=O)[C@H](C)CN2 238457814 573650632 /nfs/dbraw/zinc/65/06/32/573650632.db2.gz BYZBHZHKPPPBPG-MRVPVSSYSA-N 0 0 189.258 2.548 10 0 AFAERN CC(C)/C(=C/CO)c1ccccc1F 257840156 573650633 /nfs/dbraw/zinc/65/06/33/573650633.db2.gz BIKAHLFYTDHSFP-YFHOEESVSA-N 0 0 194.249 2.857 10 0 AFAERN C[C@@H]1C[C@@H](C)c2cccc(O)c2N1 238466555 573650641 /nfs/dbraw/zinc/65/06/41/573650641.db2.gz OYXRKHLGWPVTLY-HTQZYQBOSA-N 0 0 177.247 2.700 10 0 AFAERN Cc1ccc(-n2nccc2Cl)cc1 96868784 573650651 /nfs/dbraw/zinc/65/06/51/573650651.db2.gz DKCZCPSCUPRWQD-UHFFFAOYSA-N 0 0 192.649 2.834 10 0 AFAERN C[C@H]1C[C@H]1C(=O)c1c(F)cccc1F 83807281 573650652 /nfs/dbraw/zinc/65/06/52/573650652.db2.gz BXOPQBJHEJCERU-NKWVEPMBSA-N 0 0 196.196 2.804 10 0 AFAERN C[C@@H]1C=C[C@@H]2CCCC(=O)[C@@]2(C)C1 238466228 573650656 /nfs/dbraw/zinc/65/06/56/573650656.db2.gz ALUNMQWOXZWEPH-SCVCMEIPSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)[C@@]1(O)CCCCC1(C)C 86849000 573650686 /nfs/dbraw/zinc/65/06/86/573650686.db2.gz WWUKLOYLZVFLOJ-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN Cc1nc([C@@H]2C[C@H]2C)sc1[C@@H](C)O 83809931 573650727 /nfs/dbraw/zinc/65/07/27/573650727.db2.gz UFUSIOLFSUGLOV-LPBLVHEISA-N 0 0 197.303 2.628 10 0 AFAERN Cc1cc2ccc([C@@H](C)O)cc2cn1 258080619 573650732 /nfs/dbraw/zinc/65/07/32/573650732.db2.gz MZQMMMCCPUNJGU-SECBINFHSA-N 0 0 187.242 2.597 10 0 AFAERN C[C@H]1Cc2c(O)ccc(O)c2[C@H](C)C1 238466479 573650804 /nfs/dbraw/zinc/65/08/04/573650804.db2.gz FPHHWJLGMVFZOF-HTQZYQBOSA-N 0 0 192.258 2.784 10 0 AFAERN Fc1cccc(-n2nccc2Cl)c1 96868743 573650832 /nfs/dbraw/zinc/65/08/32/573650832.db2.gz OIWNFDSYZDRAOK-UHFFFAOYSA-N 0 0 196.612 2.665 10 0 AFAERN CC[C@H](O)[C@H]1CCCCC1(C)C 86849584 573650865 /nfs/dbraw/zinc/65/08/65/573650865.db2.gz GXMFQTYWYCAVJS-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@@H](O)[C@H]1CCCCC1(C)C 86849593 573650929 /nfs/dbraw/zinc/65/09/29/573650929.db2.gz GXMFQTYWYCAVJS-NXEZZACHSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@]1(c2ccc(Cl)cc2)CC[C@@H]1O 238466120 573650935 /nfs/dbraw/zinc/65/09/35/573650935.db2.gz SHVITGVMIGLWQL-WDEREUQCSA-N 0 0 196.677 2.752 10 0 AFAERN CC1(C)CCCC[C@]12CC(=O)CCO2 86850132 573650951 /nfs/dbraw/zinc/65/09/51/573650951.db2.gz IMIAUMYZFZYEET-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@]1(CC2CCCCC2)C[C@@H]1CO 689816627 573651000 /nfs/dbraw/zinc/65/10/00/573651000.db2.gz CPDQVTQZBVQMQH-VXGBXAGGSA-N 0 0 182.307 2.975 10 0 AFAERN C[C@H]1CCC[C@]12CCC(=O)C2 238466562 573651017 /nfs/dbraw/zinc/65/10/17/573651017.db2.gz VIVCLVIANNVRPN-WCBMZHEXSA-N 0 0 152.237 2.546 10 0 AFAERN CC1(C)CCCC[C@]1(N)C(F)(F)F 86850090 573651063 /nfs/dbraw/zinc/65/10/63/573651063.db2.gz RXRWENUKYJZAMM-MRVPVSSYSA-N 0 0 195.228 2.846 10 0 AFAERN Cc1ccc(F)c([C@H](O)[C@H]2C[C@@H]2C)c1 83807946 573651099 /nfs/dbraw/zinc/65/10/99/573651099.db2.gz MRMRBAKDISMNBA-HOTUBEGUSA-N 0 0 194.249 2.824 10 0 AFAERN CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C)C2=O 238466050 573651140 /nfs/dbraw/zinc/65/11/40/573651140.db2.gz SVUBRAXRZUOLDU-IWSPIJDZSA-N 0 0 164.248 2.568 10 0 AFAERN C[C@@H]1C[C@@H](C)c2ccc(N)cc2N1 238466535 573651158 /nfs/dbraw/zinc/65/11/58/573651158.db2.gz RUKPQNOIHNBBKH-HTQZYQBOSA-N 0 0 176.263 2.576 10 0 AFAERN C[C@@H](O)[C@H]1CC(C)(C)c2ccccc21 238466855 573651306 /nfs/dbraw/zinc/65/13/06/573651306.db2.gz VSVQEIGOZDSWLZ-MWLCHTKSSA-N 0 0 190.286 2.832 10 0 AFAERN Nc1c(F)cccc1CC(F)(F)F 257840339 573652264 /nfs/dbraw/zinc/65/22/64/573652264.db2.gz LYOMXRTVTHFQHG-UHFFFAOYSA-N 0 0 193.143 2.513 10 0 AFAERN CC1(C[C@@H](NN)C2(C)CC2)CCCC1 308655729 573652269 /nfs/dbraw/zinc/65/22/69/573652269.db2.gz NKVALTSNSQVWCD-SNVBAGLBSA-N 0 0 196.338 2.589 10 0 AFAERN CCC(C)(C)CC(C)(C)O 78843980 573652311 /nfs/dbraw/zinc/65/23/11/573652311.db2.gz QMEHJTXRYVSFES-UHFFFAOYSA-N 0 0 144.258 2.584 10 0 AFAERN CC1(C[C@H](NN)C2(C)CC2)CCCC1 308655728 573652390 /nfs/dbraw/zinc/65/23/90/573652390.db2.gz NKVALTSNSQVWCD-JTQLQIEISA-N 0 0 196.338 2.589 10 0 AFAERN C[C@H]1C[C@@H]2C[C@@H]3CC(=O)C[C@@H]3[C@@H]2C1 238465761 573652465 /nfs/dbraw/zinc/65/24/65/573652465.db2.gz KEBUIOHUAJHJTK-AGACJPFCSA-N 0 0 178.275 2.648 10 0 AFAERN CC1=CCCC(C)(C)[C@H]1[C@@H](C)O 238466503 573652529 /nfs/dbraw/zinc/65/25/29/573652529.db2.gz GFAOXDPCLVCBMZ-NXEZZACHSA-N 0 0 168.280 2.750 10 0 AFAERN Cc1ccccc1-n1nccc1Cl 96868768 573652559 /nfs/dbraw/zinc/65/25/59/573652559.db2.gz UIHNJJRSUVJRRG-UHFFFAOYSA-N 0 0 192.649 2.834 10 0 AFAERN CC(C)CNc1ccc([C@H](C)O)cc1 107802291 573652612 /nfs/dbraw/zinc/65/26/12/573652612.db2.gz SARFMKFZPYZTPS-JTQLQIEISA-N 0 0 193.290 2.808 10 0 AFAERN CC(=O)c1nc(C)sc1CC(C)C 258507975 573652741 /nfs/dbraw/zinc/65/27/41/573652741.db2.gz DZDKSBZNSPVKOM-UHFFFAOYSA-N 0 0 197.303 2.853 10 0 AFAERN C[C@H](O)[C@H](C)C1CC2(CCC2)C1 717520655 573653637 /nfs/dbraw/zinc/65/36/37/573653637.db2.gz BENSPYIKDZUVII-IUCAKERBSA-N 0 0 168.280 2.584 10 0 AFAERN Cc1ccc(O)c2c1C(C)(C)CC2=O 238458375 573653738 /nfs/dbraw/zinc/65/37/38/573653738.db2.gz CSZJTIINNDYQMN-UHFFFAOYSA-N 0 0 190.242 2.565 10 0 AFAERN C[C@H]1CC(=O)[C@H]2CC(C)(C)C[C@@H]12 238458143 573653802 /nfs/dbraw/zinc/65/38/02/573653802.db2.gz VPEKXVSPHQJDAQ-CIUDSAMLSA-N 0 0 166.264 2.648 10 0 AFAERN CCc1noc2ccc(C(C)=O)cc12 257842118 573654023 /nfs/dbraw/zinc/65/40/23/573654023.db2.gz MMTRBUOCODFMMX-UHFFFAOYSA-N 0 0 189.214 2.593 10 0 AFAERN CC(=O)CCCNc1cccs1 258844687 573654054 /nfs/dbraw/zinc/65/40/54/573654054.db2.gz CUPZOOHOKSODFA-UHFFFAOYSA-N 0 0 183.276 2.529 10 0 AFAERN Cc1ccc(C)c2c(Cl)n[nH]c12 238458956 573654132 /nfs/dbraw/zinc/65/41/32/573654132.db2.gz QSYSLKJSUUBRBY-UHFFFAOYSA-N 0 0 180.638 2.833 10 0 AFAERN C[C@H]1CC[C@H]2CCC(=O)C[C@@H]2C1 238458756 573654167 /nfs/dbraw/zinc/65/41/67/573654167.db2.gz BHCWFANUVIWAAY-GUBZILKMSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)c1ccnn1C1CCCCC1 75619270 573654294 /nfs/dbraw/zinc/65/42/94/573654294.db2.gz FKHVVORYWHMNSV-UHFFFAOYSA-N 0 0 192.262 2.591 10 0 AFAERN Cc1cc2c(N)cccc2n1C1CC1 259543200 573654309 /nfs/dbraw/zinc/65/43/09/573654309.db2.gz BXPYBQWTVAWJEB-UHFFFAOYSA-N 0 0 186.258 2.867 10 0 AFAERN COC(C)(C)COc1cccc(F)c1 393644356 573654341 /nfs/dbraw/zinc/65/43/41/573654341.db2.gz BRKNFDISSCHDIJ-UHFFFAOYSA-N 0 0 198.237 2.630 10 0 AFAERN CC1=C[C@@H]2C(=O)C[C@H](C)[C@@H]2CC1 238458113 573654366 /nfs/dbraw/zinc/65/43/66/573654366.db2.gz DVUSAICUGFKHDX-GUBZILKMSA-N 0 0 164.248 2.568 10 0 AFAERN Nc1ccc(F)cc1Cc1ccco1 257845775 573654422 /nfs/dbraw/zinc/65/44/22/573654422.db2.gz NONXXZOYDCMOIL-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN C[C@@H](O)Cc1cccc(C2CCC2)c1 258083431 573654474 /nfs/dbraw/zinc/65/44/74/573654474.db2.gz NKSHQNQURGMSAB-SNVBAGLBSA-N 0 0 190.286 2.877 10 0 AFAERN C[C@H](CO)c1ccc(O)c([C@@H](C)F)c1 258081749 573654508 /nfs/dbraw/zinc/65/45/08/573654508.db2.gz JBIXMOGOUDUDFG-HTQZYQBOSA-N 0 0 198.237 2.519 10 0 AFAERN C[C@H]1CC(=O)[C@]2(C)C=CC=CC=C12 238458824 573654721 /nfs/dbraw/zinc/65/47/21/573654721.db2.gz ANZMZRGJDCBNHD-JOYOIKCWSA-N 0 0 174.243 2.654 10 0 AFAERN C[C@H]1CCC[C@]2(C)CC(=O)C[C@@H]12 238466767 573654582 /nfs/dbraw/zinc/65/45/82/573654582.db2.gz BGSNXDZKKJWPLV-INTQDDNPSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@H]1C/C1=C\c1ccccc1C=O 238458293 573654674 /nfs/dbraw/zinc/65/46/74/573654674.db2.gz XAYWUDZZLJPHHJ-SZUMLMDFSA-N 0 0 172.227 2.922 10 0 AFAERN CC(C)(C)c1noc2ccc(N)cc12 257841699 573654689 /nfs/dbraw/zinc/65/46/89/573654689.db2.gz MJZVWDVLSFRXKV-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN C[C@]12CC[C@@H]3CCC[C@@]31CCC2=O 238472902 573658068 /nfs/dbraw/zinc/65/80/68/573658068.db2.gz ZWQCJWSYVNSIKH-MVWJERBFSA-N 0 0 178.275 2.936 10 0 AFAERN Cc1ccc(C)c2c1C[C@@H](C)C[C@H]2O 238458927 573657093 /nfs/dbraw/zinc/65/70/93/573657093.db2.gz VJVZKEFNAZWUBJ-PRHODGIISA-N 0 0 190.286 2.919 10 0 AFAERN C[C@@H]1CNc2ccccc2CSC1 238458105 573657070 /nfs/dbraw/zinc/65/70/70/573657070.db2.gz OQROVJPENKAYFK-SECBINFHSA-N 0 0 193.315 2.981 10 0 AFAERN Cc1ccc(C)c2c1CC(C)(C)[C@H]2O 238457969 573657073 /nfs/dbraw/zinc/65/70/73/573657073.db2.gz FKSJATHFLOEDOG-LBPRGKRZSA-N 0 0 190.286 2.919 10 0 AFAERN Cc1cc([C@@H](C)CO)ccc1Cl 258083439 573658088 /nfs/dbraw/zinc/65/80/88/573658088.db2.gz NKVXZBJIJJGTAF-QMMMGPOBSA-N 0 0 184.666 2.744 10 0 AFAERN C[C@H](O)c1cc2ccc(F)c(F)c2o1 83819913 573658026 /nfs/dbraw/zinc/65/80/26/573658026.db2.gz QVDQCMAJLJYLHD-YFKPBYRVSA-N 0 0 198.168 2.764 10 0 AFAERN Cc1ccc(F)c2oc([C@H](C)O)cc12 83820024 573658932 /nfs/dbraw/zinc/65/89/32/573658932.db2.gz ZQFLHZPUNDRNES-ZETCQYMHSA-N 0 0 194.205 2.934 10 0 AFAERN Cc1cc(Cl)cc2cc(CO)oc12 83815451 573659739 /nfs/dbraw/zinc/65/97/39/573659739.db2.gz ZQKFAXQQLCQOHY-UHFFFAOYSA-N 0 0 196.633 2.887 10 0 AFAERN CC(C)=C[C@@]1(O)CCCC1(C)C 86867451 573659757 /nfs/dbraw/zinc/65/97/57/573659757.db2.gz SLFHNEBVSMDZGZ-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1O 238472789 573659775 /nfs/dbraw/zinc/65/97/75/573659775.db2.gz SGCQEHWUFJSVRX-YTWAJWBKSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@@H](C)[C@]1(O)CCCC1(C)C 86867400 573659780 /nfs/dbraw/zinc/65/97/80/573659780.db2.gz DPITUMCOMUAMRB-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1C(C(=O)c2ccccc2)[C@@H]1C 238472276 573659791 /nfs/dbraw/zinc/65/97/91/573659791.db2.gz VTADLIHULRCSNR-RKDXNWHRSA-N 0 0 174.243 2.771 10 0 AFAERN C[C@H]1C(C(=O)Nc2ccccc2)[C@@H]1C 238472238 573659810 /nfs/dbraw/zinc/65/98/10/573659810.db2.gz DKPHELJKGJGBSS-RKDXNWHRSA-N 0 0 189.258 2.527 10 0 AFAERN CC(C)C[C@@]1(O)CCCC1(C)C 86867251 573659880 /nfs/dbraw/zinc/65/98/80/573659880.db2.gz CXAQJMLFQDXBJZ-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1C(c2ccc(N)cc2)[C@@H]1C 238472522 573659901 /nfs/dbraw/zinc/65/99/01/573659901.db2.gz UKQIRPWGHQGVTN-HTQZYQBOSA-N 0 0 161.248 2.638 10 0 AFAERN CC(C)[C@@]1(O)CCCC1(C)C 86867105 573659940 /nfs/dbraw/zinc/65/99/40/573659940.db2.gz OFWYJHRUNYGAAY-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN Cc1scnc1-c1ccc(O)cc1 107833503 573659949 /nfs/dbraw/zinc/65/99/49/573659949.db2.gz IRPJVORBRFNQAG-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN Cc1cc(Cl)c2oc(CO)cc2c1 83819868 573659961 /nfs/dbraw/zinc/65/99/61/573659961.db2.gz DJIUJQBABUKCSL-UHFFFAOYSA-N 0 0 196.633 2.887 10 0 AFAERN CCSc1ccc([C@H](C)CO)cc1 257842424 573659967 /nfs/dbraw/zinc/65/99/67/573659967.db2.gz OSRWZKXIHDJVQG-SECBINFHSA-N 0 0 196.315 2.894 10 0 AFAERN Cc1ccc2oc([C@@H](C)O)cc2c1 83815363 573660073 /nfs/dbraw/zinc/66/00/73/573660073.db2.gz BHTUJNHCHJEWDM-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN Cc1ccc2c(c1)[C@H]([C@@H](C)CO)CC2 257842225 573660075 /nfs/dbraw/zinc/66/00/75/573660075.db2.gz MQPZCSOBEBVSGT-JQWIXIFHSA-N 0 0 190.286 2.653 10 0 AFAERN CC(=O)[C@H]1C(=C(C)C)CC[C@@H]1C 238472637 573660101 /nfs/dbraw/zinc/66/01/01/573660101.db2.gz SYOCDJIHPBNMRB-KWQFWETISA-N 0 0 166.264 2.958 10 0 AFAERN OC[C@@H]1CC[C@@H]1c1ccccc1Cl 257842794 573660120 /nfs/dbraw/zinc/66/01/20/573660120.db2.gz MSHXTSOYCOQJDY-IUCAKERBSA-N 0 0 196.677 2.826 10 0 AFAERN Nc1ccc2cccc3c2c1C=C3 144585324 573660151 /nfs/dbraw/zinc/66/01/51/573660151.db2.gz MOIXMLPUQUGKFZ-UHFFFAOYSA-N 0 0 167.211 2.906 10 0 AFAERN C[C@H]1CC2=C(CO)CCC[C@H]2C1 238472621 573660175 /nfs/dbraw/zinc/66/01/75/573660175.db2.gz IZMPNSCGLMFHPQ-BDAKNGLRSA-N 0 0 166.264 2.505 10 0 AFAERN Cc1cc(N)n([C@H]2CCCC2(C)C)n1 86865473 573660195 /nfs/dbraw/zinc/66/01/95/573660195.db2.gz MNHVYOYLQKQWSI-VIFPVBQESA-N 0 0 193.294 2.525 10 0 AFAERN CCSc1ccc([C@@H](C)CO)cc1 257843038 573660295 /nfs/dbraw/zinc/66/02/95/573660295.db2.gz OSRWZKXIHDJVQG-VIFPVBQESA-N 0 0 196.315 2.894 10 0 AFAERN CCC[C@]1(O)CCCC1(C)C 86867292 573660298 /nfs/dbraw/zinc/66/02/98/573660298.db2.gz FQFQWOFOQBAASY-JTQLQIEISA-N 0 0 156.269 2.728 10 0 AFAERN OC1CCC(CCC(F)(F)F)CC1 144583488 573660308 /nfs/dbraw/zinc/66/03/08/573660308.db2.gz RSMLKQHIZIPSFZ-UHFFFAOYSA-N 0 0 196.212 2.880 10 0 AFAERN Cc1c(N)cnc2c(Cl)cccc12 257842812 573660363 /nfs/dbraw/zinc/66/03/63/573660363.db2.gz MTFGZQSZWDJKIH-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN Cc1ccc(F)c2oc([C@@H](C)O)cc12 83820019 573660395 /nfs/dbraw/zinc/66/03/95/573660395.db2.gz ZQFLHZPUNDRNES-SSDOTTSWSA-N 0 0 194.205 2.934 10 0 AFAERN C[C@H](c1ccc(O)cc1)C(F)F 144582639 573660410 /nfs/dbraw/zinc/66/04/10/573660410.db2.gz AQINPNJWTHOXLL-ZCFIWIBFSA-N 0 0 172.174 2.761 10 0 AFAERN OC[C@H]1CC[C@@H]1c1ccccc1Cl 257842792 573660419 /nfs/dbraw/zinc/66/04/19/573660419.db2.gz MSHXTSOYCOQJDY-BDAKNGLRSA-N 0 0 196.677 2.826 10 0 AFAERN C[C@H](O)c1cc2c(F)ccc(F)c2o1 83819979 573660440 /nfs/dbraw/zinc/66/04/40/573660440.db2.gz KRCWLZOWTNUWMT-YFKPBYRVSA-N 0 0 198.168 2.764 10 0 AFAERN C[C@@H](F)c1cc([C@@H](C)CO)ccc1O 258084279 573660612 /nfs/dbraw/zinc/66/06/12/573660612.db2.gz JBIXMOGOUDUDFG-JGVFFNPUSA-N 0 0 198.237 2.519 10 0 AFAERN C[C@@H](O)c1cc2cc(F)ccc2o1 83815413 573660666 /nfs/dbraw/zinc/66/06/66/573660666.db2.gz GXGZWCZPIKOSPA-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN CC(C)=C[C@@H]1[C@H]([C@@H](C)O)C1(C)C 238471987 573660686 /nfs/dbraw/zinc/66/06/86/573660686.db2.gz PAULLYIHTXPLDP-BBBLOLIVSA-N 0 0 168.280 2.606 10 0 AFAERN C[C@H](O)c1cc2cccc(F)c2o1 83815340 573660729 /nfs/dbraw/zinc/66/07/29/573660729.db2.gz KQARVQKDEAZPJP-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN CC1(C)CCC[C@@]1(O)c1ccoc1 86867125 573660897 /nfs/dbraw/zinc/66/08/97/573660897.db2.gz RENOEWDYKSERPC-LLVKDONJSA-N 0 0 180.247 2.677 10 0 AFAERN COC(=O)/C=C\C=C\C1CCCCC1 257842977 573660943 /nfs/dbraw/zinc/66/09/43/573660943.db2.gz CGKZIPYMKRLSTA-POQLCMLLSA-N 0 0 194.274 2.852 10 0 AFAERN C/C(=C\[C@@H]1CC=CCC1)[C@H](C)O 144618956 573660967 /nfs/dbraw/zinc/66/09/67/573660967.db2.gz IYNVIIDIJZFJDX-CJUJNCCTSA-N 0 0 166.264 2.670 10 0 AFAERN O=Cc1cc2ccc(F)c(F)c2o1 83815301 573661083 /nfs/dbraw/zinc/66/10/83/573661083.db2.gz QFNHQWVZWIXDKF-UHFFFAOYSA-N 0 0 182.125 2.524 10 0 AFAERN C[C@H]1NC=Cc2cc(F)c(F)cc21 238472260 573661179 /nfs/dbraw/zinc/66/11/79/573661179.db2.gz OVAXTUBGKNBQIH-ZCFIWIBFSA-N 0 0 181.185 2.600 10 0 AFAERN C[C@@H](O)c1cc2cc(F)cc(F)c2o1 83815470 573661208 /nfs/dbraw/zinc/66/12/08/573661208.db2.gz XGEYDEFVBYNXJM-RXMQYKEDSA-N 0 0 198.168 2.764 10 0 AFAERN CC(=O)c1cc2c(F)ccc(F)c2o1 83815315 573661300 /nfs/dbraw/zinc/66/13/00/573661300.db2.gz OQWBOFONTKCOEH-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN CC[C@H](C)[C@]1(O)CCCC1(C)C 86867401 573661341 /nfs/dbraw/zinc/66/13/41/573661341.db2.gz DPITUMCOMUAMRB-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc2oc([C@H](C)O)cc2c1 83815364 573661392 /nfs/dbraw/zinc/66/13/92/573661392.db2.gz BHTUJNHCHJEWDM-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN C[C@@H](O)c1cc2c(F)ccc(F)c2o1 83819982 573661416 /nfs/dbraw/zinc/66/14/16/573661416.db2.gz KRCWLZOWTNUWMT-RXMQYKEDSA-N 0 0 198.168 2.764 10 0 AFAERN C[C@]1(c2ccccc2)CC(F)(F)CN1 257843710 573661435 /nfs/dbraw/zinc/66/14/35/573661435.db2.gz CNMIDJNJXWUKCR-SNVBAGLBSA-N 0 0 197.228 2.530 10 0 AFAERN Cc1ccc(Cl)c2oc(CO)cc12 83819754 573661439 /nfs/dbraw/zinc/66/14/39/573661439.db2.gz QVAAGYUUQAYEBA-UHFFFAOYSA-N 0 0 196.633 2.887 10 0 AFAERN C/C=C\C[C@H](O)CCCC 78134798 573661449 /nfs/dbraw/zinc/66/14/49/573661449.db2.gz YNAPJTXCVLTFDB-LVCFMKKZSA-N 0 0 142.242 2.504 10 0 AFAERN C[C@]12CCC[C@@H]3C[C@@]31CCCC2=O 238472172 573661480 /nfs/dbraw/zinc/66/14/80/573661480.db2.gz AEXQQWJPZNJWJO-JLLWLGSASA-N 0 0 178.275 2.936 10 0 AFAERN CC(C)[C@]1(O)CCCC1(C)C 86867104 573661481 /nfs/dbraw/zinc/66/14/81/573661481.db2.gz OFWYJHRUNYGAAY-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CC(=O)[C@@H]1C(=C(C)C)CC[C@@H]1C 238472778 573661522 /nfs/dbraw/zinc/66/15/22/573661522.db2.gz SYOCDJIHPBNMRB-GZMMTYOYSA-N 0 0 166.264 2.958 10 0 AFAERN CC1(C)CCC[C@@]1(O)c1ccco1 86867312 573661584 /nfs/dbraw/zinc/66/15/84/573661584.db2.gz RZTMYTXOHDRJSE-LLVKDONJSA-N 0 0 180.247 2.677 10 0 AFAERN O=Cc1cc2c(F)cc(F)cc2o1 83815296 573661585 /nfs/dbraw/zinc/66/15/85/573661585.db2.gz KTHSHTGVHBBFJX-UHFFFAOYSA-N 0 0 182.125 2.524 10 0 AFAERN CC1=Nc2nc3ccccc3n2[C@H]1C 238472455 573661594 /nfs/dbraw/zinc/66/15/94/573661594.db2.gz PFFVFJOUUMMMCU-QMMMGPOBSA-N 0 0 185.230 2.703 10 0 AFAERN C[C@H]1CC(=O)C[C@H](c2ccco2)C1 238471920 573661613 /nfs/dbraw/zinc/66/16/13/573661613.db2.gz XAVHUXMIYUZXCV-RKDXNWHRSA-N 0 0 178.231 2.752 10 0 AFAERN C[C@@H](O)c1cccc(C(F)F)c1 124828565 573661679 /nfs/dbraw/zinc/66/16/79/573661679.db2.gz ROXINDCLLXOPFZ-ZCFIWIBFSA-N 0 0 172.174 2.678 10 0 AFAERN C[C@@H]1C[C@@H]2CCCC(=O)C[C@@H]2C1 238472511 573661726 /nfs/dbraw/zinc/66/17/26/573661726.db2.gz QJJBNSLSGXQUKJ-UTLUCORTSA-N 0 0 166.264 2.792 10 0 AFAERN CC(C)(O)c1ccc2ccoc2c1 258084520 573661731 /nfs/dbraw/zinc/66/17/31/573661731.db2.gz WCPOHIWOPQTHIT-UHFFFAOYSA-N 0 0 176.215 2.660 10 0 AFAERN C[C@H](O)c1cc2c(F)cc(F)cc2o1 83819890 573661743 /nfs/dbraw/zinc/66/17/43/573661743.db2.gz CCJQOVVOFYYZJM-YFKPBYRVSA-N 0 0 198.168 2.764 10 0 AFAERN Cc1cccc2cc([C@@H](C)O)oc12 83815375 573661810 /nfs/dbraw/zinc/66/18/10/573661810.db2.gz OWFFDRTWTSFIAR-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN CC1(C)CCC[C@]1(O)c1ccco1 86867311 573661880 /nfs/dbraw/zinc/66/18/80/573661880.db2.gz RZTMYTXOHDRJSE-NSHDSACASA-N 0 0 180.247 2.677 10 0 AFAERN CC(C)(C)[C@]1(O)CCCC1(C)C 86867107 573661966 /nfs/dbraw/zinc/66/19/66/573661966.db2.gz OJCLAWRNBOOIJL-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN CNC(=S)c1cc(C)c(C)cc1C 259153406 573662012 /nfs/dbraw/zinc/66/20/12/573662012.db2.gz KNIKGVSYFRWDNY-UHFFFAOYSA-N 0 0 193.315 2.507 10 0 AFAERN C[C@]12CCC[C@@H]3C[C@@]31CC(=O)CC2 238472094 573662027 /nfs/dbraw/zinc/66/20/27/573662027.db2.gz STRCCEMXBDONQB-YUSALJHKSA-N 0 0 178.275 2.936 10 0 AFAERN C[C@H](O)c1cccc(C(F)F)c1 124828280 573662037 /nfs/dbraw/zinc/66/20/37/573662037.db2.gz ROXINDCLLXOPFZ-LURJTMIESA-N 0 0 172.174 2.678 10 0 AFAERN Cc1ccc(C(F)(F)C2(N)CC2)cc1 257843236 573662096 /nfs/dbraw/zinc/66/20/96/573662096.db2.gz MVUYJPNUMSVKJK-UHFFFAOYSA-N 0 0 197.228 2.578 10 0 AFAERN CC(C)c1ccc2c(c1)CC[C@H]2O 144614935 573662275 /nfs/dbraw/zinc/66/22/75/573662275.db2.gz FKIWJKMCRLUNSW-GFCCVEGCSA-N 0 0 176.259 2.790 10 0 AFAERN Cc1ccc2c(c1)[C@@H]([C@H](C)CO)CC2 257842227 573662318 /nfs/dbraw/zinc/66/23/18/573662318.db2.gz MQPZCSOBEBVSGT-ZYHUDNBSSA-N 0 0 190.286 2.653 10 0 AFAERN Cc1ccc2c(c1)[C@H]([C@H](C)CO)CC2 257842226 573662523 /nfs/dbraw/zinc/66/25/23/573662523.db2.gz MQPZCSOBEBVSGT-PWSUYJOCSA-N 0 0 190.286 2.653 10 0 AFAERN CN[C@@]1(C(F)(F)F)CCCC1(C)C 86869154 573664941 /nfs/dbraw/zinc/66/49/41/573664941.db2.gz NZFADGIAJBCCKK-QMMMGPOBSA-N 0 0 195.228 2.717 10 0 AFAERN CC(C)Cc1ccccc1[C@@H](F)CO 257844507 573665090 /nfs/dbraw/zinc/66/50/90/573665090.db2.gz PJNCPFOUKAKYIF-LBPRGKRZSA-N 0 0 196.265 2.888 10 0 AFAERN CCc1cc(N)c2ccccc2c1N 144594721 573664369 /nfs/dbraw/zinc/66/43/69/573664369.db2.gz IOGBAQVSVFSUJR-UHFFFAOYSA-N 0 0 186.258 2.567 10 0 AFAERN C[C@@](F)(CO)c1cccc(Cl)c1 257843808 573664373 /nfs/dbraw/zinc/66/43/73/573664373.db2.gz PFYMDKJECIZFQX-SECBINFHSA-N 0 0 188.629 2.517 10 0 AFAERN CCn1cc([C@@H](C)O)c2ccccc21 257844808 573664381 /nfs/dbraw/zinc/66/43/81/573664381.db2.gz CYJRDGAROLMMSY-SECBINFHSA-N 0 0 189.258 2.715 10 0 AFAERN Cc1cn2c3c(sc2n1)CCCC3 107876878 573664388 /nfs/dbraw/zinc/66/43/88/573664388.db2.gz RBZQKHGFBCGCSV-UHFFFAOYSA-N 0 0 192.287 2.583 10 0 AFAERN CC[C@H]1Cc2ccsc2C1=O 144510368 573664393 /nfs/dbraw/zinc/66/43/93/573664393.db2.gz HVFDFIUWSIWARD-LURJTMIESA-N 0 0 166.245 2.513 10 0 AFAERN Cc1cccc2oc(C[C@H](C)O)cc12 257844772 573665044 /nfs/dbraw/zinc/66/50/44/573665044.db2.gz CXJHZDBLJLEBOK-VIFPVBQESA-N 0 0 190.242 2.665 10 0 AFAERN CCCC(O)(CCC)C(F)(F)F 43367786 573666954 /nfs/dbraw/zinc/66/69/54/573666954.db2.gz RKERDIIVHLTFQA-UHFFFAOYSA-N 0 0 184.201 2.880 10 0 AFAERN Cc1c[nH]c(=S)n1-c1ccccc1 83824211 573664448 /nfs/dbraw/zinc/66/44/48/573664448.db2.gz OMRMHFZOTCVFRO-UHFFFAOYSA-N 0 0 190.271 2.843 10 0 AFAERN C[C@@H]1CC(=O)[C@@H]2[C@@H](C)C=CC[C@@H]2C1 238475206 573664541 /nfs/dbraw/zinc/66/45/41/573664541.db2.gz BZMWZSHCIGKEIR-UXCLJVHYSA-N 0 0 178.275 2.814 10 0 AFAERN CC(=O)c1ccccc1[C@H]1C[C@@H]1CF 259545907 573664527 /nfs/dbraw/zinc/66/45/27/573664527.db2.gz CDBCVECJKMUQRS-SKDRFNHKSA-N 0 0 192.233 2.962 10 0 AFAERN CC[C@@H](O)[C@H]1CCCC1(C)C 86869445 573664537 /nfs/dbraw/zinc/66/45/37/573664537.db2.gz YHBSTFBDOVSOKG-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1C/C(=C/C2CCCCC2)C(=O)O1 144507951 573664546 /nfs/dbraw/zinc/66/45/46/573664546.db2.gz HJLVPHHUURFMLO-LZUGORFDSA-N 0 0 194.274 2.829 10 0 AFAERN C[C@H](F)c1cc([C@H](C)CO)ccc1O 258084284 573664732 /nfs/dbraw/zinc/66/47/32/573664732.db2.gz JBIXMOGOUDUDFG-SFYZADRCSA-N 0 0 198.237 2.519 10 0 AFAERN C[C@@H](C1CCC(O)CC1)C(F)(F)F 144577466 573664733 /nfs/dbraw/zinc/66/47/33/573664733.db2.gz YNONGNPAPLPRSG-KKMMWDRVSA-N 0 0 196.212 2.736 10 0 AFAERN Cc1ncc(Cl)c(C(F)F)c1O 238475368 573664744 /nfs/dbraw/zinc/66/47/44/573664744.db2.gz GFLZUVFQDCYWNE-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CC[C@H](O)C(C)(C)C(C)(C)C 144508509 573664781 /nfs/dbraw/zinc/66/47/81/573664781.db2.gz ZAYUKKCRSPEXQY-QMMMGPOBSA-N 0 0 158.285 2.830 10 0 AFAERN CSc1ccccc1[C@@H](C)CO 257843813 573664964 /nfs/dbraw/zinc/66/49/64/573664964.db2.gz PGFOWJQWBBWAJG-QMMMGPOBSA-N 0 0 182.288 2.504 10 0 AFAERN CC(C)n1ccc2cccc(CO)c21 257844753 573664861 /nfs/dbraw/zinc/66/48/61/573664861.db2.gz CWJDTAHWUILPAW-UHFFFAOYSA-N 0 0 189.258 2.715 10 0 AFAERN CC1(C)CCc2sc(=S)[nH]c21 86867664 573664866 /nfs/dbraw/zinc/66/48/66/573664866.db2.gz AKNCTRMZHJKYAS-UHFFFAOYSA-N 0 0 185.317 2.656 10 0 AFAERN CC(C)/C(=C/CO)c1cccc(F)c1 257844317 573666960 /nfs/dbraw/zinc/66/69/60/573666960.db2.gz COKNMJLAQCXWBA-SDQBBNPISA-N 0 0 194.249 2.857 10 0 AFAERN CC(C)CC[C@](C)(O)C(F)(F)F 43367933 573666456 /nfs/dbraw/zinc/66/64/56/573666456.db2.gz VSSWBWBEIXFJPX-ZETCQYMHSA-N 0 0 184.201 2.736 10 0 AFAERN CC[C@@H](O)[C@@H]1CCCC1(C)C 86869441 573665819 /nfs/dbraw/zinc/66/58/19/573665819.db2.gz YHBSTFBDOVSOKG-DTWKUNHWSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@]12C(=O)CC[C@H]1C[C@@H]1CCC[C@@H]12 238474385 573665885 /nfs/dbraw/zinc/66/58/85/573665885.db2.gz CFMNKWLBUDXGQD-GMOBBJLQSA-N 0 0 178.275 2.792 10 0 AFAERN CCc1ccccc1[C@@H](C)C(=O)OC 257846616 573665960 /nfs/dbraw/zinc/66/59/60/573665960.db2.gz NUDRAVCXABWKBD-SECBINFHSA-N 0 0 192.258 2.526 10 0 AFAERN CSc1ccc(N)c(Cl)c1 83824423 573665998 /nfs/dbraw/zinc/66/59/98/573665998.db2.gz KRUHTUDNYPGJDP-UHFFFAOYSA-N 0 0 173.668 2.644 10 0 AFAERN Nc1cnc(C2CCCC2)c(Cl)c1 257844469 573666011 /nfs/dbraw/zinc/66/60/11/573666011.db2.gz NGQJFKMWZJULKM-UHFFFAOYSA-N 0 0 196.681 2.975 10 0 AFAERN CC(C)[C@H](O)[C@H]1CCCC1(C)C 86869451 573666054 /nfs/dbraw/zinc/66/60/54/573666054.db2.gz YFBINBQGDDNPMS-ZJUUUORDSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@H]1C=Cc2ccccc2C(=O)C1 238476220 573666174 /nfs/dbraw/zinc/66/61/74/573666174.db2.gz JIZWFYZLQFYKKS-VIFPVBQESA-N 0 0 172.227 2.922 10 0 AFAERN Cc1ccc(-c2c[nH]c(=S)[nH]2)o1 83824303 573666182 /nfs/dbraw/zinc/66/61/82/573666182.db2.gz YACLEJALJCLPTP-UHFFFAOYSA-N 0 0 180.232 2.641 10 0 AFAERN Cc1ccc(CSC(N)=O)c(C)c1 238475397 573666229 /nfs/dbraw/zinc/66/62/29/573666229.db2.gz AMHRZOCBTFIDLD-UHFFFAOYSA-N 0 0 195.287 2.615 10 0 AFAERN COC(=O)[C@@H]1C[C@@H]2CC[C@H](C)C[C@H]2C1 259617145 573666993 /nfs/dbraw/zinc/66/69/93/573666993.db2.gz NFGFBHHKRALWRO-XWLWVQCSSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)=CCC[C@H](C)Nc1c[nH]cn1 308667814 573666390 /nfs/dbraw/zinc/66/63/90/573666390.db2.gz UCBMPKFIWTZCEM-JTQLQIEISA-N 0 0 193.294 2.957 10 0 AFAERN CCn1cc([C@H](C)O)c2ccccc21 257844810 573666409 /nfs/dbraw/zinc/66/64/09/573666409.db2.gz CYJRDGAROLMMSY-VIFPVBQESA-N 0 0 189.258 2.715 10 0 AFAERN C[C@@H](F)Cc1ccccc1CCCO 258075675 573666480 /nfs/dbraw/zinc/66/64/80/573666480.db2.gz MPJWSQRYAILMIP-SNVBAGLBSA-N 0 0 196.265 2.512 10 0 AFAERN Oc1cccc2ccn(C3CC3)c12 259545842 573666481 /nfs/dbraw/zinc/66/64/81/573666481.db2.gz CCRYVYYXIQUJNG-UHFFFAOYSA-N 0 0 173.215 2.682 10 0 AFAERN CC1(C)CCNc2ccccc2N1 83823424 573666514 /nfs/dbraw/zinc/66/65/14/573666514.db2.gz WCTGDIBMEQMCDC-UHFFFAOYSA-N 0 0 176.263 2.693 10 0 AFAERN Cc1cc[nH]c2c(C)c(=O)ccc1-2 238474785 573666604 /nfs/dbraw/zinc/66/66/04/573666604.db2.gz ATDUCVOWAHWSES-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN Cc1ccnc2c(Cl)ccc(N)c12 238475047 573666616 /nfs/dbraw/zinc/66/66/16/573666616.db2.gz ODFKEXAFOJGESD-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CCN1c2ccccc2NCC[C@H]1C 83823894 573666632 /nfs/dbraw/zinc/66/66/32/573666632.db2.gz PTKUPLVFVWRLNX-SNVBAGLBSA-N 0 0 190.290 2.717 10 0 AFAERN CC(C)[C@@H](O)[C@H]1CCCC1(C)C 86869453 573666647 /nfs/dbraw/zinc/66/66/47/573666647.db2.gz YFBINBQGDDNPMS-NXEZZACHSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H](F)Cc1cccc([C@@H](C)CO)c1 258075766 573666656 /nfs/dbraw/zinc/66/66/56/573666656.db2.gz MSZSTTLZIFALMG-VHSXEESVSA-N 0 0 196.265 2.683 10 0 AFAERN CC[C@H](O)[C@@H]1CCCC1(C)C 86869439 573666690 /nfs/dbraw/zinc/66/66/90/573666690.db2.gz YHBSTFBDOVSOKG-IUCAKERBSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1nccc2c(O)c(Cl)ccc12 259545982 573666712 /nfs/dbraw/zinc/66/67/12/573666712.db2.gz CDTAPJFVTMTQMK-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN C[C@@H]1CC(=O)c2occc2C1(C)C 238476416 573667014 /nfs/dbraw/zinc/66/70/14/573667014.db2.gz MACKZSREBPIKLX-SSDOTTSWSA-N 0 0 178.231 2.780 10 0 AFAERN CC[C@H](O)[C@H]1CCCC1(C)C 86869443 573666772 /nfs/dbraw/zinc/66/67/72/573666772.db2.gz YHBSTFBDOVSOKG-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN CCn1c(C(C)(C)C)c[nH]c1=S 83824371 573666947 /nfs/dbraw/zinc/66/69/47/573666947.db2.gz NHGABQWKTHVJMR-UHFFFAOYSA-N 0 0 184.308 2.863 10 0 AFAERN S=c1[nH]cc(C2CCCC2)[nH]1 83823556 573667736 /nfs/dbraw/zinc/66/77/36/573667736.db2.gz NXPUDNAZGKTAQS-UHFFFAOYSA-N 0 0 168.265 2.730 10 0 AFAERN C[C@@H]1CNc2cc(Cl)ccc2N1 83823849 573667713 /nfs/dbraw/zinc/66/77/13/573667713.db2.gz KETYISNANWDTPX-ZCFIWIBFSA-N 0 0 182.654 2.566 10 0 AFAERN C[C@]12C(=O)CC[C@@H]1C[C@@H]1CCC[C@@H]12 238474670 573667716 /nfs/dbraw/zinc/66/77/16/573667716.db2.gz CFMNKWLBUDXGQD-WYFGTUCQSA-N 0 0 178.275 2.792 10 0 AFAERN CCCCc1noc([C@@H]2C[C@@H]2C)n1 308411727 573669406 /nfs/dbraw/zinc/66/94/06/573669406.db2.gz LVSIZPXPSPWWHU-JGVFFNPUSA-N 0 0 180.251 2.536 10 0 AFAERN CC1(C)CCC[C@@H]1n1cnnc1Cl 86877892 573671337 /nfs/dbraw/zinc/67/13/37/573671337.db2.gz DCCCOZDGWAENRR-ZETCQYMHSA-N 0 0 199.685 2.683 10 0 AFAERN CC(C)=C1CC[C@H]([C@@H](C)O)C1 238467114 573670989 /nfs/dbraw/zinc/67/09/89/573670989.db2.gz HGQYLGRRVQZROQ-SCZZXKLOSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H]1CC[C@@](C)([C@@H](C)O)C1(C)C 238475762 573672593 /nfs/dbraw/zinc/67/25/93/573672593.db2.gz IXIDZZCIQHXMCI-KKZNHRDASA-N 0 0 170.296 2.830 10 0 AFAERN CC1(C)CCC[C@H]1n1cn[nH]c1=S 86876495 573669369 /nfs/dbraw/zinc/66/93/69/573669369.db2.gz KUTSSMGXNSJQKM-SSDOTTSWSA-N 0 0 197.307 2.692 10 0 AFAERN O[C@H]1CC[C@]12CCCC21CCCC1 144540391 573669561 /nfs/dbraw/zinc/66/95/61/573669561.db2.gz RZHOGLWUHMKOHU-CMPLNLGQSA-N 0 0 180.291 2.872 10 0 AFAERN CC[C@H]1Cc2cc(C=O)sc2C1 144505269 573669579 /nfs/dbraw/zinc/66/95/79/573669579.db2.gz GMXGJMCXYQGWEU-ZETCQYMHSA-N 0 0 180.272 2.685 10 0 AFAERN CC(C)(C)C(=O)N[C@H]1CCCC1(C)C 86879314 573669662 /nfs/dbraw/zinc/66/96/62/573669662.db2.gz OPMKYDGIALVPAX-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN C/C(=C/[C@@H](C)O)CC1CCCC1 689817596 573669700 /nfs/dbraw/zinc/66/97/00/573669700.db2.gz FZKZEPBMGABECY-UJICNMFASA-N 0 0 168.280 2.894 10 0 AFAERN Cc1sc2nc3c(n2c1C)CCC3 107877051 573669705 /nfs/dbraw/zinc/66/97/05/573669705.db2.gz WZSYWUFECHRDEN-UHFFFAOYSA-N 0 0 192.287 2.501 10 0 AFAERN ONCc1ccc(C2CC2)c(Cl)c1 258075727 573669761 /nfs/dbraw/zinc/66/97/61/573669761.db2.gz MROYKWVBBLBLIG-UHFFFAOYSA-N 0 0 197.665 2.696 10 0 AFAERN C[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1O 238475710 573669869 /nfs/dbraw/zinc/66/98/69/573669869.db2.gz SGCQEHWUFJSVRX-ZDCRXTMVSA-N 0 0 168.280 2.584 10 0 AFAERN CCCCc1noc([C@H]2C[C@@H]2C)n1 308411729 573669912 /nfs/dbraw/zinc/66/99/12/573669912.db2.gz LVSIZPXPSPWWHU-YUMQZZPRSA-N 0 0 180.251 2.536 10 0 AFAERN O=C(OCCCCC1CC1)C1CC1 308411024 573669924 /nfs/dbraw/zinc/66/99/24/573669924.db2.gz OGVYYKVEAABGTD-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC(C)(N)C(F)(F)c1cccs1 259153020 573669948 /nfs/dbraw/zinc/66/99/48/573669948.db2.gz NCMLWHTTWQFICI-UHFFFAOYSA-N 0 0 191.246 2.577 10 0 AFAERN C[C@H](F)Cc1ccccc1CCCO 258075674 573669973 /nfs/dbraw/zinc/66/99/73/573669973.db2.gz MPJWSQRYAILMIP-JTQLQIEISA-N 0 0 196.265 2.512 10 0 AFAERN CC1=C(C)[C@](C)([C@@H](C)O)CC1 238475607 573670121 /nfs/dbraw/zinc/67/01/21/573670121.db2.gz AGZCYVWOJJVQAT-NXEZZACHSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1c(Cl)c[nH]c(=O)c1C(F)F 238475716 573670192 /nfs/dbraw/zinc/67/01/92/573670192.db2.gz OBXNTSITHSUJCS-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CCOC(=O)N[C@@H]1CCCCC1(C)C 86879367 573670195 /nfs/dbraw/zinc/67/01/95/573670195.db2.gz XIJFPGWEDQZTMT-SECBINFHSA-N 0 0 199.294 2.701 10 0 AFAERN Cc1[nH]cc(Cl)c(=O)c1C(F)F 238475925 573670204 /nfs/dbraw/zinc/67/02/04/573670204.db2.gz LLTQGSKPIUJFET-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1ccncc1-c1cccc(N)c1 83825257 573670211 /nfs/dbraw/zinc/67/02/11/573670211.db2.gz LIUOIFRLSSNGIZ-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN O=C1CCC/C=C/CCCC1 144634822 573670303 /nfs/dbraw/zinc/67/03/03/573670303.db2.gz FFARAHTUJVXTLB-OWOJBTEDSA-N 0 0 152.237 2.856 10 0 AFAERN Cc1c(Cl)cnc(N)c1C(F)F 238475643 573670330 /nfs/dbraw/zinc/67/03/30/573670330.db2.gz IOIZWIYWMARBCI-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC[C@@H](F)Cn1ccc(C(C)C)n1 308412279 573673670 /nfs/dbraw/zinc/67/36/70/573673670.db2.gz LYPGDJNNWCDDJC-SECBINFHSA-N 0 0 184.258 2.755 10 0 AFAERN C[C@]1(c2cccc(Cl)c2)CCC1=O 238466944 573670465 /nfs/dbraw/zinc/67/04/65/573670465.db2.gz YIGVXIVUGXYBBO-LLVKDONJSA-N 0 0 194.661 2.961 10 0 AFAERN CC(C)=CCC[C@@H](C)Nc1c[nH]cn1 308667815 573670482 /nfs/dbraw/zinc/67/04/82/573670482.db2.gz UCBMPKFIWTZCEM-SNVBAGLBSA-N 0 0 193.294 2.957 10 0 AFAERN C[C@@H]1C=C[C@H]2C(=O)CCC[C@@H]2C1 238475503 573670498 /nfs/dbraw/zinc/67/04/98/573670498.db2.gz XSMCEKNEJWETLU-OPRDCNLKSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)(C)C(=O)N[C@@H]1CCCC1(C)C 86879317 573670506 /nfs/dbraw/zinc/67/05/06/573670506.db2.gz OPMKYDGIALVPAX-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@H](F)Cc1cccc([C@@H](C)CO)c1 258075764 573670518 /nfs/dbraw/zinc/67/05/18/573670518.db2.gz MSZSTTLZIFALMG-UWVGGRQHSA-N 0 0 196.265 2.683 10 0 AFAERN CCSc1cccc(C)c1N 83825372 573670533 /nfs/dbraw/zinc/67/05/33/573670533.db2.gz TXBKBRFUORXUHI-UHFFFAOYSA-N 0 0 167.277 2.689 10 0 AFAERN CCC(=CCCCO)CC 107929555 573670560 /nfs/dbraw/zinc/67/05/60/573670560.db2.gz DZKPCFFIGJIAHV-UHFFFAOYSA-N 0 0 142.242 2.505 10 0 AFAERN Cc1ccnc(C(F)F)c1Cl 238467164 573670602 /nfs/dbraw/zinc/67/06/02/573670602.db2.gz MCXUOTWUDWGOEV-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN C[C@H](F)Cc1cccc([C@H](C)CO)c1 258075768 573670628 /nfs/dbraw/zinc/67/06/28/573670628.db2.gz MSZSTTLZIFALMG-ZJUUUORDSA-N 0 0 196.265 2.683 10 0 AFAERN CC1(C)CCC[C@@H]1n1cn[nH]c1=S 86876492 573670631 /nfs/dbraw/zinc/67/06/31/573670631.db2.gz KUTSSMGXNSJQKM-ZETCQYMHSA-N 0 0 197.307 2.692 10 0 AFAERN CC(C)[C@@H](CC1CCCCCC1)NN 126760713 573670639 /nfs/dbraw/zinc/67/06/39/573670639.db2.gz JTDDRAZICPTXOA-GFCCVEGCSA-N 0 0 198.354 2.835 10 0 AFAERN C[C@@H]1C[C@@H]2C[C@@H]3CC(=O)C[C@@H]3[C@@H]2C1 238467263 573670699 /nfs/dbraw/zinc/67/06/99/573670699.db2.gz KEBUIOHUAJHJTK-WXRNXJFHSA-N 0 0 178.275 2.648 10 0 AFAERN C[C@H]1Cc2ccccc2[C@H](CCO)C1 238467008 573670804 /nfs/dbraw/zinc/67/08/04/573670804.db2.gz OIFVPAADJZLMRV-CMPLNLGQSA-N 0 0 190.286 2.735 10 0 AFAERN CC1(C)CCC[C@@H]1Nc1ncns1 86876049 573670823 /nfs/dbraw/zinc/67/08/23/573670823.db2.gz IXXMBZHRMGPRGZ-ZETCQYMHSA-N 0 0 197.307 2.529 10 0 AFAERN OC1(c2ccccc2C(F)F)CC1 258075612 573670831 /nfs/dbraw/zinc/67/08/31/573670831.db2.gz MNLGYOVWZLXJJQ-UHFFFAOYSA-N 0 0 184.185 2.606 10 0 AFAERN CC(C)CCc1nc(C=O)cs1 43374121 573670909 /nfs/dbraw/zinc/67/09/09/573670909.db2.gz NGFSVEDCXKOBDJ-UHFFFAOYSA-N 0 0 183.276 2.544 10 0 AFAERN CC[C@H](F)Cn1ccc(C(C)C)n1 308412280 573670910 /nfs/dbraw/zinc/67/09/10/573670910.db2.gz LYPGDJNNWCDDJC-VIFPVBQESA-N 0 0 184.258 2.755 10 0 AFAERN C/C(=C/[C@H](C)O)CC1CCCC1 689817591 573671016 /nfs/dbraw/zinc/67/10/16/573671016.db2.gz FZKZEPBMGABECY-RNKPRXRFSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H]1C[C@]12C=CCC(C)(C)C2=O 238467264 573671033 /nfs/dbraw/zinc/67/10/33/573671033.db2.gz ALTSYIFRTOAFSB-LDYMZIIASA-N 0 0 164.248 2.568 10 0 AFAERN C[C@@H]1C=C[C@@H]2C(=O)CCC[C@@H]2C1 238475534 573671146 /nfs/dbraw/zinc/67/11/46/573671146.db2.gz XSMCEKNEJWETLU-BBBLOLIVSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)CC[C@H](O)c1cccnc1 43374243 573671229 /nfs/dbraw/zinc/67/12/29/573671229.db2.gz TURWNBOCSKTXAK-NSHDSACASA-N 0 0 179.263 2.551 10 0 AFAERN C[C@@]1(/C=C/c2ccccc2)C[C@@H]1CO 238476069 573671245 /nfs/dbraw/zinc/67/12/45/573671245.db2.gz QZXOKZFPTMRGBX-WUOSCTTQSA-N 0 0 188.270 2.718 10 0 AFAERN CCCCc1noc([C@@H]2C[C@H]2C)n1 308411726 573671395 /nfs/dbraw/zinc/67/13/95/573671395.db2.gz LVSIZPXPSPWWHU-HTQZYQBOSA-N 0 0 180.251 2.536 10 0 AFAERN CCCSCC(=O)Cc1ccoc1 130624978 573671462 /nfs/dbraw/zinc/67/14/62/573671462.db2.gz IFPDBEVLNUZATP-UHFFFAOYSA-N 0 0 198.287 2.534 10 0 AFAERN CC(C)=C=C1C(C)(C)[C@]1(C)[C@@H](C)O 238475452 573671475 /nfs/dbraw/zinc/67/14/75/573671475.db2.gz IWXGZFIGOQTTKW-BXKDBHETSA-N 0 0 180.291 2.905 10 0 AFAERN CCCC[C@H]1CC/C=C\CCC(=O)N1 144685673 573671490 /nfs/dbraw/zinc/67/14/90/573671490.db2.gz BROFQEFHFUJWGQ-WYGGZMRJSA-N 0 0 195.306 2.792 10 0 AFAERN Cc1ccc2c(c1C)C(=O)C[C@@H](C)N2 238475483 573671535 /nfs/dbraw/zinc/67/15/35/573671535.db2.gz VYGWETAWTDHSEK-MRVPVSSYSA-N 0 0 189.258 2.690 10 0 AFAERN C[C@]1(c2cccc(Cl)c2)CC[C@H]1O 238467030 573671644 /nfs/dbraw/zinc/67/16/44/573671644.db2.gz XETMDXNYSYDLRK-GHMZBOCLSA-N 0 0 196.677 2.752 10 0 AFAERN OC1(c2ccccc2C2CCC2)CC1 258078132 573671671 /nfs/dbraw/zinc/67/16/71/573671671.db2.gz MULQPZNCVZQHEJ-UHFFFAOYSA-N 0 0 188.270 2.936 10 0 AFAERN C[C@@H]1CC(=O)C[C@H]2CCC[C@@H]2C1 238476018 573671806 /nfs/dbraw/zinc/67/18/06/573671806.db2.gz LHTKJRCUTXJUSR-IVZWLZJFSA-N 0 0 166.264 2.792 10 0 AFAERN CC1=CC(C)(C)[C@@H]([C@@H](C)O)CC1 238467332 573671856 /nfs/dbraw/zinc/67/18/56/573671856.db2.gz PAJSMOIPQZIPIY-NXEZZACHSA-N 0 0 168.280 2.750 10 0 AFAERN CCOC(=O)N[C@H]1CCCCC1(C)C 86879369 573671938 /nfs/dbraw/zinc/67/19/38/573671938.db2.gz XIJFPGWEDQZTMT-VIFPVBQESA-N 0 0 199.294 2.701 10 0 AFAERN C=C/C=C/[C@H](CC)CCCO 238299212 573672007 /nfs/dbraw/zinc/67/20/07/573672007.db2.gz PAZUUJQHCYCXLD-STUBTGCMSA-N 0 0 154.253 2.527 10 0 AFAERN CCCCCCNC(C)=S 78920336 573672073 /nfs/dbraw/zinc/67/20/73/573672073.db2.gz DYJGTTLKCKCABS-UHFFFAOYSA-N 0 0 159.298 2.504 10 0 AFAERN Cc1ccnc(C(F)F)c1CF 238467093 573672135 /nfs/dbraw/zinc/67/21/35/573672135.db2.gz NQJYGVNOGGXINA-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CC[C@H](C)COC(=O)C1CC=CC1 393546519 573672147 /nfs/dbraw/zinc/67/21/47/573672147.db2.gz HYLNADDGIGWPGS-VIFPVBQESA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)(O)[C@@H]1C[C@H]1c1cccs1 144674785 573672167 /nfs/dbraw/zinc/67/21/67/573672167.db2.gz ZLMUZRLACLEMQC-HTQZYQBOSA-N 0 0 182.288 2.623 10 0 AFAERN C[C@]1(c2cccc(Cl)c2)CC[C@@H]1O 238466995 573672249 /nfs/dbraw/zinc/67/22/49/573672249.db2.gz XETMDXNYSYDLRK-WDEREUQCSA-N 0 0 196.677 2.752 10 0 AFAERN C[C@@H]1C[C@@H]2[C@H](C3(CC3)C1=O)C2(C)C 238467150 573672316 /nfs/dbraw/zinc/67/23/16/573672316.db2.gz LBUCTJXJLUHNDP-HLTSFMKQSA-N 0 0 178.275 2.648 10 0 AFAERN CC1=CC=C[C@]2(C)C[C@@H](C)C(=O)[C@@H]12 238476274 573672360 /nfs/dbraw/zinc/67/23/60/573672360.db2.gz MHVHHCMLDNVQPT-CKYFFXLPSA-N 0 0 176.259 2.734 10 0 AFAERN C[C@H](CC1CCCCCCC1)NC=O 238466931 573672366 /nfs/dbraw/zinc/67/23/66/573672366.db2.gz QBMGFEIYBOKXIX-LLVKDONJSA-N 0 0 197.322 2.872 10 0 AFAERN C[C@H]1CC(C)(C)c2ccc(O)cc2N1 258078340 573672375 /nfs/dbraw/zinc/67/23/75/573672375.db2.gz VFUNUUOVHJOUBG-QMMMGPOBSA-N 0 0 191.274 2.874 10 0 AFAERN CCc1cc(Cl)cc(CNOC)c1 258079105 573672481 /nfs/dbraw/zinc/67/24/81/573672481.db2.gz IPKSVTVFUYOFRZ-UHFFFAOYSA-N 0 0 199.681 2.553 10 0 AFAERN C[C@H]1CC[C@@H]2CCCC[C@]12CO 107929343 573672488 /nfs/dbraw/zinc/67/24/88/573672488.db2.gz OMVPWHILPGIJTC-DCAQKATOSA-N 0 0 168.280 2.585 10 0 AFAERN CC(C)SCC(=O)Cc1ccoc1 130625423 573672500 /nfs/dbraw/zinc/67/25/00/573672500.db2.gz SJZRUHYBAYNXMP-UHFFFAOYSA-N 0 0 198.287 2.533 10 0 AFAERN Cc1cc(O)c(C(F)F)nc1Cl 238466888 573672571 /nfs/dbraw/zinc/67/25/71/573672571.db2.gz UAXXXKHDEYNOCC-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1ncc(Cl)c(N)c1C(F)F 238475894 573672615 /nfs/dbraw/zinc/67/26/15/573672615.db2.gz DDAAUBPYQRECHZ-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Brc1cc2ccoc2cn1 214925164 573672620 /nfs/dbraw/zinc/67/26/20/573672620.db2.gz YUXLYGXDSJNXCO-UHFFFAOYSA-N 0 0 198.019 2.590 10 0 AFAERN Cc1cc[nH]c2cc(=O)cc(C)c1-2 238475634 573672669 /nfs/dbraw/zinc/67/26/69/573672669.db2.gz IVVWUZPDORPWDA-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN C[C@@H]1CC(C)(C)c2ccc(O)cc2N1 258078337 573672727 /nfs/dbraw/zinc/67/27/27/573672727.db2.gz VFUNUUOVHJOUBG-MRVPVSSYSA-N 0 0 191.274 2.874 10 0 AFAERN CC1(C)CCC[C@H]1Nc1ncns1 86876053 573672796 /nfs/dbraw/zinc/67/27/96/573672796.db2.gz IXXMBZHRMGPRGZ-SSDOTTSWSA-N 0 0 197.307 2.529 10 0 AFAERN N#CNc1ccc2sccc2c1 83833376 573672820 /nfs/dbraw/zinc/67/28/20/573672820.db2.gz IDUWUIYIZORXLD-UHFFFAOYSA-N 0 0 174.228 2.794 10 0 AFAERN C[C@@H]1CC(=O)[C@@H]2CCCC[C@@H]2C1 238475930 573672842 /nfs/dbraw/zinc/67/28/42/573672842.db2.gz IYEXDKYMJMJFCK-IVZWLZJFSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@]1(CCO)C[C@H]1c1ccccc1 238475909 573672857 /nfs/dbraw/zinc/67/28/57/573672857.db2.gz BUFCLMFYVXNRJW-RYUDHWBXSA-N 0 0 176.259 2.563 10 0 AFAERN COCC[C@@H](C)CC(=O)C1CCCC1 162449316 573672876 /nfs/dbraw/zinc/67/28/76/573672876.db2.gz VCLCHDIDRUCDBI-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN C[C@]1(CCO)C[C@@H]1c1ccccc1 238475891 573672898 /nfs/dbraw/zinc/67/28/98/573672898.db2.gz BUFCLMFYVXNRJW-NEPJUHHUSA-N 0 0 176.259 2.563 10 0 AFAERN C[C@@H]1CC2=C(CO)CCC[C@@H]2C1 238475567 573672903 /nfs/dbraw/zinc/67/29/03/573672903.db2.gz IZMPNSCGLMFHPQ-DTWKUNHWSA-N 0 0 166.264 2.505 10 0 AFAERN CCCSCC(=O)Cc1ccco1 130625193 573672955 /nfs/dbraw/zinc/67/29/55/573672955.db2.gz NKXNGDMCCQFOIT-UHFFFAOYSA-N 0 0 198.287 2.534 10 0 AFAERN Cc1ccc([C@@H](C)F)cc1CNO 258078143 573673093 /nfs/dbraw/zinc/67/30/93/573673093.db2.gz MUQUTJFOYYWLST-MRVPVSSYSA-N 0 0 183.226 2.504 10 0 AFAERN CC(C)(C)Oc1cccc2c1CCN2 258078497 573673145 /nfs/dbraw/zinc/67/31/45/573673145.db2.gz QSVXPJXQUGAEIW-UHFFFAOYSA-N 0 0 191.274 2.832 10 0 AFAERN CCSc1cc(C)ccc1N 83825304 573673178 /nfs/dbraw/zinc/67/31/78/573673178.db2.gz YOWMGIGVBAIURH-UHFFFAOYSA-N 0 0 167.277 2.689 10 0 AFAERN CCCCc1noc([C@H]2C[C@H]2C)n1 308411728 573673628 /nfs/dbraw/zinc/67/36/28/573673628.db2.gz LVSIZPXPSPWWHU-SFYZADRCSA-N 0 0 180.251 2.536 10 0 AFAERN CC1=C(C)C[C@@H]([C@@H](C)O)CC1 238467287 573673273 /nfs/dbraw/zinc/67/32/73/573673273.db2.gz ZDRSSORBBWIDMW-ZJUUUORDSA-N 0 0 154.253 2.504 10 0 AFAERN CCc1cc(C(C)=O)c(C)cc1F 258078618 573673317 /nfs/dbraw/zinc/67/33/17/573673317.db2.gz VKQYXPXBLXKIJJ-UHFFFAOYSA-N 0 0 180.222 2.899 10 0 AFAERN CC(C)[C@H](CC1CCCCCC1)NN 126760959 573673364 /nfs/dbraw/zinc/67/33/64/573673364.db2.gz JTDDRAZICPTXOA-LBPRGKRZSA-N 0 0 198.354 2.835 10 0 AFAERN C[C@@]1(/C=C/c2ccccc2)C[C@H]1CO 238476085 573673428 /nfs/dbraw/zinc/67/34/28/573673428.db2.gz QZXOKZFPTMRGBX-AHYBDNRGSA-N 0 0 188.270 2.718 10 0 AFAERN Cc1c(Cl)cncc1C(F)F 238476010 573673463 /nfs/dbraw/zinc/67/34/63/573673463.db2.gz ZTCXACGWVZQGNU-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN N#COc1cccc(C(F)(F)F)c1 144678743 573673476 /nfs/dbraw/zinc/67/34/76/573673476.db2.gz CMHBPGYKMXHYBG-UHFFFAOYSA-N 0 0 187.120 2.565 10 0 AFAERN Cc1c[nH]c2ccc([C@@H](C)CO)cc12 258078136 573673493 /nfs/dbraw/zinc/67/34/93/573673493.db2.gz MUOWEWXPIJDMGX-VIFPVBQESA-N 0 0 189.258 2.572 10 0 AFAERN CC(F)(F)c1ccc(C2(O)CC2)cc1 258078168 573673562 /nfs/dbraw/zinc/67/35/62/573673562.db2.gz MWAWEZOFXWEGFT-UHFFFAOYSA-N 0 0 198.212 2.780 10 0 AFAERN CSC(=N)COc1ccccc1C 258870512 573673578 /nfs/dbraw/zinc/67/35/78/573673578.db2.gz XDOLHMJPLZDOQO-UHFFFAOYSA-N 0 0 195.287 2.714 10 0 AFAERN C[C@@H](O)c1c(F)ccc2ccoc12 258078590 573673766 /nfs/dbraw/zinc/67/37/66/573673766.db2.gz VKCQYYBBUNAMAI-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN C1=CC(c2ccccc2)C=C1 78914271 573673894 /nfs/dbraw/zinc/67/38/94/573673894.db2.gz QCYNOMAXDPUXAP-UHFFFAOYSA-N 0 0 142.201 2.896 10 0 AFAERN C[C@H]1Cc2c([nH]c3ccccc23)C1=O 238468355 573674171 /nfs/dbraw/zinc/67/41/71/573674171.db2.gz WGXCBGNKLFYHRQ-ZETCQYMHSA-N 0 0 185.226 2.543 10 0 AFAERN CCCCNc1cccc(NC)c1 259155150 573674234 /nfs/dbraw/zinc/67/42/34/573674234.db2.gz FPGIBRHFPGBVRY-UHFFFAOYSA-N 0 0 178.279 2.940 10 0 AFAERN C/C(=C\[C@@H](C)O)CC1CCCC1 689817594 573674239 /nfs/dbraw/zinc/67/42/39/573674239.db2.gz FZKZEPBMGABECY-TTZKWOQHSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1cc(O)c(C)c2c1OC(C)(C)C2 238468224 573674329 /nfs/dbraw/zinc/67/43/29/573674329.db2.gz QBBBNMJRAVQPKF-UHFFFAOYSA-N 0 0 192.258 2.723 10 0 AFAERN Cc1c[nH]c2ccc([C@H](C)CO)cc12 258078135 573674392 /nfs/dbraw/zinc/67/43/92/573674392.db2.gz MUOWEWXPIJDMGX-SECBINFHSA-N 0 0 189.258 2.572 10 0 AFAERN Cc1ccc([C@H](C)F)cc1CNO 258078145 573674400 /nfs/dbraw/zinc/67/44/00/573674400.db2.gz MUQUTJFOYYWLST-QMMMGPOBSA-N 0 0 183.226 2.504 10 0 AFAERN CC(C)CC[C@@H](O)c1cccnc1 43374245 573674401 /nfs/dbraw/zinc/67/44/01/573674401.db2.gz TURWNBOCSKTXAK-LLVKDONJSA-N 0 0 179.263 2.551 10 0 AFAERN C[C@H]1[C@@]23CCCC[C@@]12CCC3=O 238467886 573674426 /nfs/dbraw/zinc/67/44/26/573674426.db2.gz IATPQSOSOLWCJH-FBIMIBRVSA-N 0 0 164.248 2.546 10 0 AFAERN CC1=CC[C@H](C)[C@]12CCCC2=O 238468594 573674461 /nfs/dbraw/zinc/67/44/61/573674461.db2.gz BOYUFHGPBYTRNG-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H]1C/C1=C\c1ccccc1C=O 238468484 573674646 /nfs/dbraw/zinc/67/46/46/573674646.db2.gz XAYWUDZZLJPHHJ-SZJBZFAYSA-N 0 0 172.227 2.922 10 0 AFAERN CCSc1ccc(N)c(F)c1 83825516 573674656 /nfs/dbraw/zinc/67/46/56/573674656.db2.gz MUIKRBWVNVYCSK-UHFFFAOYSA-N 0 0 171.240 2.520 10 0 AFAERN Nc1ccc(-c2ccoc2)c(F)c1 83826748 573674687 /nfs/dbraw/zinc/67/46/87/573674687.db2.gz YCTBULRRFHZCGL-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CCCN(CC)C(=O)C(F)=C(C)C 308413689 573674690 /nfs/dbraw/zinc/67/46/90/573674690.db2.gz MLZTZTVOQOAOBK-UHFFFAOYSA-N 0 0 187.258 2.508 10 0 AFAERN C/C(=C\[C@@H](C)O)Cc1cccc(F)c1 308413408 573674723 /nfs/dbraw/zinc/67/47/23/573674723.db2.gz FXJWZHODOZAWFO-OLKPEBQYSA-N 0 0 194.249 2.695 10 0 AFAERN Cc1ccc(-c2c(C)c2=O)c(C)c1 258872976 573674831 /nfs/dbraw/zinc/67/48/31/573674831.db2.gz SCISGECRUSCVOA-UHFFFAOYSA-N 0 0 172.227 2.515 10 0 AFAERN CC(C)(O)c1cccc2ccoc12 258078623 573674852 /nfs/dbraw/zinc/67/48/52/573674852.db2.gz VKYVLDRQANEIFP-UHFFFAOYSA-N 0 0 176.215 2.660 10 0 AFAERN CCC/C=C/COC(=O)CC1CC1 308413635 573674913 /nfs/dbraw/zinc/67/49/13/573674913.db2.gz PTAMHYKYYRMBSH-SNAWJCMRSA-N 0 0 182.263 2.686 10 0 AFAERN C[C@@H]1CC[C@@H]2CCCC[C@@]21CO 107929339 573674944 /nfs/dbraw/zinc/67/49/44/573674944.db2.gz OMVPWHILPGIJTC-VWYCJHECSA-N 0 0 168.280 2.585 10 0 AFAERN CC(C)CC(=O)CC1CCC1 83840068 573675468 /nfs/dbraw/zinc/67/54/68/573675468.db2.gz RUDZVOGNPAKOSV-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN C/C(=C\[C@H](C)O)Cc1cccc(F)c1 308413409 573675121 /nfs/dbraw/zinc/67/51/21/573675121.db2.gz FXJWZHODOZAWFO-ZKXNXJMVSA-N 0 0 194.249 2.695 10 0 AFAERN C[C@@]12CC[C@@H](CC3=C1CCC3)C2=O 238468122 573675186 /nfs/dbraw/zinc/67/51/86/573675186.db2.gz CENKLINQPKZGSV-JOYOIKCWSA-N 0 0 176.259 2.856 10 0 AFAERN O=C(CC1CCC1)C1CCCC1 83840105 573675474 /nfs/dbraw/zinc/67/54/74/573675474.db2.gz SUKDIKIALVOVGQ-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)CC[C@H](O)C1CCCC1 43374207 573675398 /nfs/dbraw/zinc/67/53/98/573675398.db2.gz DZYWPFGOLQPLJK-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN C[C@@H]1C(=O)C2(C)CCC1(C)CC2 144664764 573675408 /nfs/dbraw/zinc/67/54/08/573675408.db2.gz IWBMRLFMJGVNRO-MFAVDMRSSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H]1CC[C@H]2CCCC[C@]12CO 107929334 573675480 /nfs/dbraw/zinc/67/54/80/573675480.db2.gz OMVPWHILPGIJTC-MXWKQRLJSA-N 0 0 168.280 2.585 10 0 AFAERN Cc1cccc([C@H](O)CC2CCC2)n1 83840805 573676217 /nfs/dbraw/zinc/67/62/17/573676217.db2.gz WVFRKUHFYKVQGD-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN C/C(=C/CCO)c1ccc(C)cc1 238467801 573676231 /nfs/dbraw/zinc/67/62/31/573676231.db2.gz JIFQLLURCMPFHI-WCIBSUBMSA-N 0 0 176.259 2.781 10 0 AFAERN C[C@@H]1C[C@]12CCCCCC2=O 238467336 573676928 /nfs/dbraw/zinc/67/69/28/573676928.db2.gz BNZRKIJHAXMBOM-PSASIEDQSA-N 0 0 152.237 2.546 10 0 AFAERN CC1=CC[C@H](C)[C@@H](C)C(=O)[C@@H]1C 238468534 573676304 /nfs/dbraw/zinc/67/63/04/573676304.db2.gz CPHOOVPZBHDNEM-IVZWLZJFSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1cccc(OCC2CCC2)c1N 83837875 573676339 /nfs/dbraw/zinc/67/63/39/573676339.db2.gz RFXYYTFKSNYRCJ-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CC(C)(C)[C@H](O)CC1CCC1 83840605 573676349 /nfs/dbraw/zinc/67/63/49/573676349.db2.gz HMCUUKWZPFVLOO-SECBINFHSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc(N)c(OCC2CCC2)c1 83837856 573676451 /nfs/dbraw/zinc/67/64/51/573676451.db2.gz PZAWPNXZAZXDOQ-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN O=C(CC1CCC1)C1CCC1 83840258 573676458 /nfs/dbraw/zinc/67/64/58/573676458.db2.gz PHESKRYPSVBGJK-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1c(N)cccc1OCC1CCC1 83837873 573676465 /nfs/dbraw/zinc/67/64/65/573676465.db2.gz HBFDNLDGWFDINA-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN C[C@@H](O)[C@H]1CCCC=C1[Si](C)(C)C 238467694 573676472 /nfs/dbraw/zinc/67/64/72/573676472.db2.gz UKKRVBLQHKYOLY-NXEZZACHSA-N 0 0 198.382 2.971 10 0 AFAERN CC1=CC[C@H](C)CC(=O)[C@H]1C 238468618 573676526 /nfs/dbraw/zinc/67/65/26/573676526.db2.gz XKKGYEAGRRNMAS-CBAPKCEASA-N 0 0 152.237 2.568 10 0 AFAERN Cc1ccnc(C(=O)CC2CCC2)c1 83840233 573676578 /nfs/dbraw/zinc/67/65/78/573676578.db2.gz MPFRIRQBBCAEQX-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN CC[C@H](C)[C@H](O)CC1CCC1 83840818 573676604 /nfs/dbraw/zinc/67/66/04/573676604.db2.gz UHIWOKDGFYIYOH-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H]1CCCc2c(CCO)cccc21 238467513 573676674 /nfs/dbraw/zinc/67/66/74/573676674.db2.gz MQLFZQFESYYINQ-JTQLQIEISA-N 0 0 190.286 2.661 10 0 AFAERN Nc1cnccc1SCC1CCC1 83839277 573676730 /nfs/dbraw/zinc/67/67/30/573676730.db2.gz QWCISPLGLBGMKB-UHFFFAOYSA-N 0 0 194.303 2.556 10 0 AFAERN CC[C@H](C)[C@@H](O)CC1CCC1 83840821 573676792 /nfs/dbraw/zinc/67/67/92/573676792.db2.gz UHIWOKDGFYIYOH-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccnc(C)c1C(F)F 238467744 573676798 /nfs/dbraw/zinc/67/67/98/573676798.db2.gz XQZXXGTXZCJVEY-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN CC1=CC[C@H](C)C[C@H](O)C1(C)C 238468271 573676811 /nfs/dbraw/zinc/67/68/11/573676811.db2.gz LWTJUAWMIBKHJB-WPRPVWTQSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)(C)[C@@H](O)CC1CCC1 83840607 573676821 /nfs/dbraw/zinc/67/68/21/573676821.db2.gz HMCUUKWZPFVLOO-VIFPVBQESA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)c1ccc(O)c([C@@H](C)CO)c1 258090912 573676861 /nfs/dbraw/zinc/67/68/61/573676861.db2.gz NZUWNZMRWJIELG-VIFPVBQESA-N 0 0 194.274 2.611 10 0 AFAERN C[C@H](F)c1cccc(C(C)(C)CO)c1 258090819 573676895 /nfs/dbraw/zinc/67/68/95/573676895.db2.gz NZDDJCAUJCVOIN-VIFPVBQESA-N 0 0 196.265 2.987 10 0 AFAERN O[C@H](CC1CCC1)c1cccs1 83840421 573676900 /nfs/dbraw/zinc/67/69/00/573676900.db2.gz JLGAJHLVFXUIBX-SECBINFHSA-N 0 0 182.288 2.972 10 0 AFAERN CC(C)[C@H](CCO)c1ccccc1O 258089234 573677000 /nfs/dbraw/zinc/67/70/00/573677000.db2.gz MXMHUUXTJKIWFY-JTQLQIEISA-N 0 0 194.274 2.514 10 0 AFAERN C[C@@]1(O)CCCc2cc(Cl)ccc21 257846073 573677067 /nfs/dbraw/zinc/67/70/67/573677067.db2.gz CYUUUPJVBOQGFH-LLVKDONJSA-N 0 0 196.677 2.884 10 0 AFAERN O=Cc1ccccc1OCC1CCC1 83839114 573677072 /nfs/dbraw/zinc/67/70/72/573677072.db2.gz BAACCPYESAOJIQ-UHFFFAOYSA-N 0 0 190.242 2.678 10 0 AFAERN CCn1ccc(-c2ccccc2)c1N 258089688 573677161 /nfs/dbraw/zinc/67/71/61/573677161.db2.gz JKOCPLWSEZRQOY-UHFFFAOYSA-N 0 0 186.258 2.757 10 0 AFAERN Cc1ccnc([C@H](O)CC2CCC2)c1 83840822 573677203 /nfs/dbraw/zinc/67/72/03/573677203.db2.gz LZNLMSZPPMXHOO-GFCCVEGCSA-N 0 0 191.274 2.614 10 0 AFAERN CC1=CC[C@H](C)CC(=O)C1(C)C 238468247 573677271 /nfs/dbraw/zinc/67/72/71/573677271.db2.gz IQOPZTKSCFPXRC-QMMMGPOBSA-N 0 0 166.264 2.958 10 0 AFAERN Nc1ccc(SCC2CCC2)cn1 83839283 573677467 /nfs/dbraw/zinc/67/74/67/573677467.db2.gz CSWQLFWHAYTFMG-UHFFFAOYSA-N 0 0 194.303 2.556 10 0 AFAERN O=C(CC1CCC1)c1ccoc1 83840239 573677594 /nfs/dbraw/zinc/67/75/94/573677594.db2.gz FQANKSVYZHELGE-UHFFFAOYSA-N 0 0 164.204 2.653 10 0 AFAERN CCCC(=O)CC1CCC1 83840086 573677601 /nfs/dbraw/zinc/67/76/01/573677601.db2.gz QFFICHVISWCIRZ-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN O[C@@H](CC1CCC1)c1cccs1 83840425 573677660 /nfs/dbraw/zinc/67/76/60/573677660.db2.gz JLGAJHLVFXUIBX-VIFPVBQESA-N 0 0 182.288 2.972 10 0 AFAERN Cc1ccc(C(C)(C)F)cc1CCO 258090660 573677691 /nfs/dbraw/zinc/67/76/91/573677691.db2.gz NXHUFUUGFGVGAW-UHFFFAOYSA-N 0 0 196.265 2.734 10 0 AFAERN O=C(CC1CCC1)c1ccco1 83840182 573677895 /nfs/dbraw/zinc/67/78/95/573677895.db2.gz YHEPOXAQSHOAJG-UHFFFAOYSA-N 0 0 164.204 2.653 10 0 AFAERN CC[C@H](C)c1noc(N)c1CC(C)C 43375952 573677919 /nfs/dbraw/zinc/67/79/19/573677919.db2.gz IIPNFXLERJEPAX-QMMMGPOBSA-N 0 0 196.294 2.969 10 0 AFAERN CCSCc1ccc(O)c(C)c1 258089950 573677934 /nfs/dbraw/zinc/67/79/34/573677934.db2.gz JOGDNRRSMSPYPM-UHFFFAOYSA-N 0 0 182.288 2.954 10 0 AFAERN C[C@H]1NC(=O)S[C@H]1c1ccccc1 238468203 573677963 /nfs/dbraw/zinc/67/79/63/573677963.db2.gz YMJXCUVMFUDPJC-VXNVDRBHSA-N 0 0 193.271 2.573 10 0 AFAERN c1ccc(CONCC2CCC2)cc1 83838875 573677965 /nfs/dbraw/zinc/67/79/65/573677965.db2.gz BXVOHOHAKKCPFU-UHFFFAOYSA-N 0 0 191.274 2.508 10 0 AFAERN Oc1ccccc1OCC1CCC1 83839635 573678111 /nfs/dbraw/zinc/67/81/11/573678111.db2.gz CDKDTMQPNVETHN-UHFFFAOYSA-N 0 0 178.231 2.571 10 0 AFAERN CCCCc1noc(N)c1CC(C)C 43375912 573678175 /nfs/dbraw/zinc/67/81/75/573678175.db2.gz HDDGRMIONBRNSZ-UHFFFAOYSA-N 0 0 196.294 2.798 10 0 AFAERN Cc1ccc(N)c(C(=O)CC(C)C)c1 107994855 573678193 /nfs/dbraw/zinc/67/81/93/573678193.db2.gz WBUXBVSFEFOARS-UHFFFAOYSA-N 0 0 191.274 2.806 10 0 AFAERN O[C@@H](CC1CCC1)c1ccsc1 83840481 573678234 /nfs/dbraw/zinc/67/82/34/573678234.db2.gz GCGQQEDACIPLMB-JTQLQIEISA-N 0 0 182.288 2.972 10 0 AFAERN CC(=O)Cc1ccc2[nH]c(C)cc2c1 258091006 573678268 /nfs/dbraw/zinc/67/82/68/573678268.db2.gz NISBOEWVGYDWEM-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN C[C@H](O)[C@@H](F)c1ccccc1Cl 257845928 573678474 /nfs/dbraw/zinc/67/84/74/573678474.db2.gz NRORATRTUHGUQE-IMTBSYHQSA-N 0 0 188.629 2.731 10 0 AFAERN Cc1ccc(OCC2CCC2)c(N)c1 83837880 573678349 /nfs/dbraw/zinc/67/83/49/573678349.db2.gz FKFDQZSYJHVFMP-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN CC[C@@H](O)c1cc(C)c(C)cc1F 107997096 573678402 /nfs/dbraw/zinc/67/84/02/573678402.db2.gz TWPDEHLNLBNWSU-LLVKDONJSA-N 0 0 182.238 2.886 10 0 AFAERN Cc1cc(OCC2CCC2)ccc1N 83837851 573678415 /nfs/dbraw/zinc/67/84/15/573678415.db2.gz BRYNGYBCRDTGLH-UHFFFAOYSA-N 0 0 191.274 2.756 10 0 AFAERN O[C@H](CC1CCC1)C1CCCC1 83840619 573678445 /nfs/dbraw/zinc/67/84/45/573678445.db2.gz XDJYKRQZXHPBJZ-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cccnc1C(=O)CC1CCC1 83840145 573680012 /nfs/dbraw/zinc/68/00/12/573680012.db2.gz XZFQTXFVWPMKJT-UHFFFAOYSA-N 0 0 189.258 2.763 10 0 AFAERN CC1(c2cnc(N)s2)CCCC1 259548156 573680039 /nfs/dbraw/zinc/68/00/39/573680039.db2.gz CGHXPCNPSOQKRK-UHFFFAOYSA-N 0 0 182.292 2.557 10 0 AFAERN CCCC(=O)c1cc(Cl)ccc1N 107995127 573680169 /nfs/dbraw/zinc/68/01/69/573680169.db2.gz RPILGTGYWPFSPU-UHFFFAOYSA-N 0 0 197.665 2.905 10 0 AFAERN Cc1ccc(CF)c(C(F)F)n1 238469154 573680252 /nfs/dbraw/zinc/68/02/52/573680252.db2.gz FIJMPEOWIWWHAL-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN C[C@](F)(c1ccc(O)cc1)C1CC1 259548875 573680311 /nfs/dbraw/zinc/68/03/11/573680311.db2.gz CLJQGXWFJSWITO-LLVKDONJSA-N 0 0 180.222 2.987 10 0 AFAERN Nc1ccc(F)cc1OCC1CCC1 83837854 573680312 /nfs/dbraw/zinc/68/03/12/573680312.db2.gz GKNWWLTWQPMHMD-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN C[C@@H]1C=C(C2=CCCCC2)OC1=O 238469788 573680313 /nfs/dbraw/zinc/68/03/13/573680313.db2.gz WTPQGWRILGQJBM-MRVPVSSYSA-N 0 0 178.231 2.564 10 0 AFAERN C[C@H]1C[C@H](C)c2cccc(O)c2N1 238469958 573680365 /nfs/dbraw/zinc/68/03/65/573680365.db2.gz OYXRKHLGWPVTLY-YUMQZZPRSA-N 0 0 177.247 2.700 10 0 AFAERN CC[C@@H](C)[C@@H](O)CC1CCC1 83840820 573680477 /nfs/dbraw/zinc/68/04/77/573680477.db2.gz UHIWOKDGFYIYOH-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1C(c2ccc(N)cc2)[C@H]1C 238469277 573680505 /nfs/dbraw/zinc/68/05/05/573680505.db2.gz UKQIRPWGHQGVTN-YUMQZZPRSA-N 0 0 161.248 2.638 10 0 AFAERN CC(C)[C@@H](CCO)c1ccccc1O 258089237 573680538 /nfs/dbraw/zinc/68/05/38/573680538.db2.gz MXMHUUXTJKIWFY-SNVBAGLBSA-N 0 0 194.274 2.514 10 0 AFAERN Nc1ccc(OCC2CCC2)c(F)c1 83837867 573680563 /nfs/dbraw/zinc/68/05/63/573680563.db2.gz DXSONBUWUBCQCI-UHFFFAOYSA-N 0 0 195.237 2.587 10 0 AFAERN CCSCc1cn(C(C)C)cn1 258091525 573680607 /nfs/dbraw/zinc/68/06/07/573680607.db2.gz HYVHQVSIUWHXCS-UHFFFAOYSA-N 0 0 184.308 2.717 10 0 AFAERN Cc1ccnc(CF)c1C(F)F 238469184 573680611 /nfs/dbraw/zinc/68/06/11/573680611.db2.gz AZAPLPAPOKGIDD-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN C[C@@H]1Cc2c([nH]c3ccccc23)C1=O 238469393 573680728 /nfs/dbraw/zinc/68/07/28/573680728.db2.gz WGXCBGNKLFYHRQ-SSDOTTSWSA-N 0 0 185.226 2.543 10 0 AFAERN CCC[C@H](O)c1cc(Cl)ccc1N 107995154 573680783 /nfs/dbraw/zinc/68/07/83/573680783.db2.gz AWPXIYRKPDWVLO-JTQLQIEISA-N 0 0 199.681 2.756 10 0 AFAERN O[C@H](CC1CCC1)c1ccsc1 83840479 573680862 /nfs/dbraw/zinc/68/08/62/573680862.db2.gz GCGQQEDACIPLMB-SNVBAGLBSA-N 0 0 182.288 2.972 10 0 AFAERN Nc1ccc(SCC2CCC2)nc1 83839281 573680863 /nfs/dbraw/zinc/68/08/63/573680863.db2.gz CYCALFXJYBCUAM-UHFFFAOYSA-N 0 0 194.303 2.556 10 0 AFAERN CC(C)C[C@H](O)CC1CCC1 83840523 573680915 /nfs/dbraw/zinc/68/09/15/573680915.db2.gz SYFMQPFBFJUWHS-JTQLQIEISA-N 0 0 156.269 2.584 10 0 AFAERN CCc1ocnc1-c1ccc(O)cc1 257847194 573680976 /nfs/dbraw/zinc/68/09/76/573680976.db2.gz NWCZYERRWYUBMY-UHFFFAOYSA-N 0 0 189.214 2.610 10 0 AFAERN CCN(C)c1c(C)cc(C)cc1OC 259157059 573681183 /nfs/dbraw/zinc/68/11/83/573681183.db2.gz SSKLFNITHUHCLV-UHFFFAOYSA-N 0 0 193.290 2.768 10 0 AFAERN C[C@@H]1C(=O)[C@H]2C[C@@]2(C)CC1(C)C 238468822 573681005 /nfs/dbraw/zinc/68/10/05/573681005.db2.gz XJMSMYYXDDKKAN-XLDPMVHQSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1C[C@H]2C[C@@H](C1=O)[C@@H]1CCC[C@@H]21 238468760 573681326 /nfs/dbraw/zinc/68/13/26/573681326.db2.gz TWHQNNBPPXSUTB-ZKKRXERASA-N 0 0 178.275 2.648 10 0 AFAERN C[C@H](O)[C@H](F)c1ccccc1Cl 257846533 573681087 /nfs/dbraw/zinc/68/10/87/573681087.db2.gz NRORATRTUHGUQE-RCOVLWMOSA-N 0 0 188.629 2.731 10 0 AFAERN Cc1ccc(/C=C2\C[C@@H]2[C@@H](C)O)cc1 238469787 573681132 /nfs/dbraw/zinc/68/11/32/573681132.db2.gz UUNADVWBVXUESQ-OLFHSIHVSA-N 0 0 188.270 2.779 10 0 AFAERN Cc1ccc(C)c2c1C[C@H](C)C[C@H]2O 238469996 573681277 /nfs/dbraw/zinc/68/12/77/573681277.db2.gz VJVZKEFNAZWUBJ-QPUJVOFHSA-N 0 0 190.286 2.919 10 0 AFAERN c1nn(C2CCCC2)cc1OC1CC1 237990095 573683935 /nfs/dbraw/zinc/68/39/35/573683935.db2.gz JVOSLXBKLRAAKM-UHFFFAOYSA-N 0 0 192.262 2.539 10 0 AFAERN CCCC[C@H](CC)[C@H](NN)C(C)C 126786833 573683141 /nfs/dbraw/zinc/68/31/41/573683141.db2.gz PECTZBFPLZFKCA-WDEREUQCSA-N 0 0 186.343 2.691 10 0 AFAERN C/C=C(C)\C=C(C)\C=C(\C)CO 237989299 573683159 /nfs/dbraw/zinc/68/31/59/573683159.db2.gz MWMVDCOTUUMMDN-WJSDUCMSSA-N 0 0 166.264 2.838 10 0 AFAERN Cc1ccnc([C@@H](O)CC2CCC2)c1 83840825 573683299 /nfs/dbraw/zinc/68/32/99/573683299.db2.gz LZNLMSZPPMXHOO-LBPRGKRZSA-N 0 0 191.274 2.614 10 0 AFAERN CC[C@H](O)c1cc(Cl)ccc1F 107997632 573683352 /nfs/dbraw/zinc/68/33/52/573683352.db2.gz JXTUNYRKMYGTBO-VIFPVBQESA-N 0 0 188.629 2.923 10 0 AFAERN C[C@@H]1C=CC2=CCCC(=O)[C@@H]2[C@@H]1C 238470217 573683382 /nfs/dbraw/zinc/68/33/82/573683382.db2.gz NKGZDVQENMUMDJ-KBVBSXBZSA-N 0 0 176.259 2.734 10 0 AFAERN C/C=C(/Cl)[C@H](O)c1ccccc1 237986883 573683445 /nfs/dbraw/zinc/68/34/45/573683445.db2.gz XWRAJCIPWIYMJW-AEQWBEDWSA-N 0 0 182.650 2.863 10 0 AFAERN C[C@]12C=C[C@@H]3C(=O)CCCC[C@@]31C2 238470737 573683448 /nfs/dbraw/zinc/68/34/48/573683448.db2.gz FSKVOFJOVWYICD-YUSALJHKSA-N 0 0 176.259 2.712 10 0 AFAERN CCCc1ccccc1C(=O)OCC 78563527 573684160 /nfs/dbraw/zinc/68/41/60/573684160.db2.gz NDRYSOSFPBSFAD-UHFFFAOYSA-N 0 0 192.258 2.816 10 0 AFAERN C[C@@H]1CC[C@@H]([C@H](O)CC2CCC2)C1 83840920 573683578 /nfs/dbraw/zinc/68/35/78/573683578.db2.gz CSEMABCWSNLVAA-YUSALJHKSA-N 0 0 182.307 2.974 10 0 AFAERN C[C@]1(c2ccccc2Cl)CC[C@H]1O 238470161 573684176 /nfs/dbraw/zinc/68/41/76/573684176.db2.gz SMJMAXIPWZBSKY-GHMZBOCLSA-N 0 0 196.677 2.752 10 0 AFAERN CCSc1cccc(C=O)c1OC 238303602 573684034 /nfs/dbraw/zinc/68/40/34/573684034.db2.gz YMOTZHQJGFSQMR-UHFFFAOYSA-N 0 0 196.271 2.620 10 0 AFAERN C[C@@H]1C=CC[C@H]2CCCC[C@@H]2C1=O 238470360 573684069 /nfs/dbraw/zinc/68/40/69/573684069.db2.gz NJANZCBEOGAFLX-MXWKQRLJSA-N 0 0 178.275 2.958 10 0 AFAERN CNc1ccc(OCC2CCC2)cc1 83841838 573684273 /nfs/dbraw/zinc/68/42/73/573684273.db2.gz QTQDFPUNHSLENL-UHFFFAOYSA-N 0 0 191.274 2.907 10 0 AFAERN CCNc1cncc(NC(C)(C)C)c1 122021307 573684347 /nfs/dbraw/zinc/68/43/47/573684347.db2.gz LDGJTICWGBMYLT-UHFFFAOYSA-N 0 0 193.294 2.724 10 0 AFAERN C[C@@H]1C=CC2=CCCC(=O)[C@H]2[C@@H]1C 238470231 573684397 /nfs/dbraw/zinc/68/43/97/573684397.db2.gz NKGZDVQENMUMDJ-LNLATYFQSA-N 0 0 176.259 2.734 10 0 AFAERN CCCC[C@@H](C=C(C)C)CO 214945178 573684417 /nfs/dbraw/zinc/68/44/17/573684417.db2.gz FJVICVGSGQWOEE-JTQLQIEISA-N 0 0 156.269 2.751 10 0 AFAERN Cc1cc(O)c(Cl)c(Cl)c1O 238470062 573684421 /nfs/dbraw/zinc/68/44/21/573684421.db2.gz QSAXUFKHUCYOPY-UHFFFAOYSA-N 0 0 193.029 2.713 10 0 AFAERN OC/C=C\c1cccc(C(F)F)c1 393549668 573684428 /nfs/dbraw/zinc/68/44/28/573684428.db2.gz NSAYWPICHIKFDM-RQOWECAXSA-N 0 0 184.185 2.630 10 0 AFAERN C/C=C(/[C@@H](O)C(C)C)[Si](C)(C)C 237988156 573684509 /nfs/dbraw/zinc/68/45/09/573684509.db2.gz ZRIUNZDTMZNBQY-RNKPRXRFSA-N 0 0 186.371 2.827 10 0 AFAERN CC(C)[C@H](C)Oc1ccccc1C=O 259617504 573684532 /nfs/dbraw/zinc/68/45/32/573684532.db2.gz QTVOLBGEJWBHTL-JTQLQIEISA-N 0 0 192.258 2.922 10 0 AFAERN c1ccn([C@H]2CCCSC2)c1 122026868 573684572 /nfs/dbraw/zinc/68/45/72/573684572.db2.gz PPIXHTTZTNZWGT-VIFPVBQESA-N 0 0 167.277 2.556 10 0 AFAERN C[C@]12C=C[C@H]3C(=O)CCCC[C@@]31C2 238470722 573684579 /nfs/dbraw/zinc/68/45/79/573684579.db2.gz FSKVOFJOVWYICD-MVWJERBFSA-N 0 0 176.259 2.712 10 0 AFAERN C/C=C(/CO)c1ccc(Cl)cc1 237986012 573684706 /nfs/dbraw/zinc/68/47/06/573684706.db2.gz HYKBCGLXYIFJOS-WAPJZHGLSA-N 0 0 182.650 2.736 10 0 AFAERN C[C@@H]1C=CC[C@@H]2CCCC[C@@H]2C1=O 238470320 573684768 /nfs/dbraw/zinc/68/47/68/573684768.db2.gz NJANZCBEOGAFLX-VWYCJHECSA-N 0 0 178.275 2.958 10 0 AFAERN C/C=C(/CCO)c1ccccc1C 237985095 573684789 /nfs/dbraw/zinc/68/47/89/573684789.db2.gz VRMFVGGTMHMHPL-JYOAFUTRSA-N 0 0 176.259 2.781 10 0 AFAERN C[C@@H](CO)Cc1ccccc1Cl 78946254 573684891 /nfs/dbraw/zinc/68/48/91/573684891.db2.gz JGSCUXJZCPVFOR-MRVPVSSYSA-N 0 0 184.666 2.511 10 0 AFAERN C[C@H](CO)Cc1ccccc1Cl 78946250 573684930 /nfs/dbraw/zinc/68/49/30/573684930.db2.gz JGSCUXJZCPVFOR-QMMMGPOBSA-N 0 0 184.666 2.511 10 0 AFAERN CCCC[C@H](CC)[C@@H](NN)C(C)C 126787330 573685063 /nfs/dbraw/zinc/68/50/63/573685063.db2.gz PECTZBFPLZFKCA-QWRGUYRKSA-N 0 0 186.343 2.691 10 0 AFAERN C[C@]1(c2ccccc2Cl)CCC1=O 238470075 573685145 /nfs/dbraw/zinc/68/51/45/573685145.db2.gz FLTXEWZQAINGCG-LLVKDONJSA-N 0 0 194.661 2.961 10 0 AFAERN C[C@@H]1[C@H](O)CC[C@@H]1C1CC2(CCC2)C1 717536413 573685186 /nfs/dbraw/zinc/68/51/86/573685186.db2.gz JBZYEUNAXXNSPQ-ZMLRMANQSA-N 0 0 194.318 2.974 10 0 AFAERN CC(=O)C[C@@H]1CCOC2(CCCC2)C1 86905466 573687169 /nfs/dbraw/zinc/68/71/69/573687169.db2.gz KFPZIPFUWCXUMH-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN CC1(C)CC=C[C@H]2CCC[C@H]2C1=O 224970478 573687180 /nfs/dbraw/zinc/68/71/80/573687180.db2.gz YUNFDWUZLODJQV-NXEZZACHSA-N 0 0 178.275 2.958 10 0 AFAERN CC1=CC=C[C@@H]2C(=O)[C@@H](C)C[C@@]12C 238478789 573687228 /nfs/dbraw/zinc/68/72/28/573687228.db2.gz GDOSHXGTPGWFCM-XRNSZHNASA-N 0 0 176.259 2.734 10 0 AFAERN CC[C@H](CO)Cc1ccc(C)cc1 85041210 573687249 /nfs/dbraw/zinc/68/72/49/573687249.db2.gz GCJCKBVFEMPAEF-NSHDSACASA-N 0 0 178.275 2.556 10 0 AFAERN CC[C@H](CO)c1sccc1C 259158188 573686924 /nfs/dbraw/zinc/68/69/24/573686924.db2.gz INZTVRGSFGVQTG-MRVPVSSYSA-N 0 0 170.277 2.542 10 0 AFAERN Nc1cccc2c(F)c(F)ccc12 258092998 573686931 /nfs/dbraw/zinc/68/69/31/573686931.db2.gz WZIMRPBRVIGNII-UHFFFAOYSA-N 0 0 179.169 2.700 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@@H]2CCC(=O)[C@H]12 238479003 573686951 /nfs/dbraw/zinc/68/69/51/573686951.db2.gz MFDHTVFECGLTDO-UYAYMFIHSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccnc(Cl)c1NCC1CC1 83852185 573686957 /nfs/dbraw/zinc/68/69/57/573686957.db2.gz QQEQXXHHMXVHRB-UHFFFAOYSA-N 0 0 196.681 2.865 10 0 AFAERN Cc1ccc(C2(Cl)COC2)cc1C 259159514 573687027 /nfs/dbraw/zinc/68/70/27/573687027.db2.gz UEYOFEQQRHCOFS-UHFFFAOYSA-N 0 0 196.677 2.768 10 0 AFAERN CC1(C)CNc2cccc(N)c2S1 259158543 573687999 /nfs/dbraw/zinc/68/79/99/573687999.db2.gz IJXMANNRXHCLBN-UHFFFAOYSA-N 0 0 194.303 2.565 10 0 AFAERN Cc1cccc(Oc2nccn2C)c1 257847558 573688034 /nfs/dbraw/zinc/68/80/34/573688034.db2.gz AQDBJRWSWJLAID-UHFFFAOYSA-N 0 0 188.230 2.521 10 0 AFAERN CC(C)Oc1ccccc1[C@@H](C)CO 257847430 573688088 /nfs/dbraw/zinc/68/80/88/573688088.db2.gz QNTPWLWUXRRYLE-JTQLQIEISA-N 0 0 194.274 2.570 10 0 AFAERN CC[C@@H](CO)c1sccc1C 259158192 573688138 /nfs/dbraw/zinc/68/81/38/573688138.db2.gz INZTVRGSFGVQTG-QMMMGPOBSA-N 0 0 170.277 2.542 10 0 AFAERN Nc1ccccc1-c1nc(C2CC2)c[nH]1 716763520 573688180 /nfs/dbraw/zinc/68/81/80/573688180.db2.gz UVJKNQLIIIIOBC-UHFFFAOYSA-N 0 0 199.257 2.536 10 0 AFAERN C=C/C(=C/C)[C@H](O)c1ccccc1 237983737 573688201 /nfs/dbraw/zinc/68/82/01/573688201.db2.gz VRGWFWYMJYKUSN-JOTVYFQTSA-N 0 0 174.243 2.852 10 0 AFAERN CC(=O)[C@@H](C)[C@@H]1CCOC2(CCC2)C1 86905648 573688247 /nfs/dbraw/zinc/68/82/47/573688247.db2.gz KTVYCCLQZCHULK-MWLCHTKSSA-N 0 0 196.290 2.561 10 0 AFAERN CCc1cccc(CC)c1[C@@H](C)O 258094034 573688254 /nfs/dbraw/zinc/68/82/54/573688254.db2.gz XCSBJNQFNJUJQC-SECBINFHSA-N 0 0 178.275 2.865 10 0 AFAERN CC(=O)[C@@H](C)[C@H]1CCOC2(CCC2)C1 86905654 573688378 /nfs/dbraw/zinc/68/83/78/573688378.db2.gz KTVYCCLQZCHULK-KOLCDFICSA-N 0 0 196.290 2.561 10 0 AFAERN C/C=C(/Cl)C(=O)Nc1ccccc1 237986549 573688493 /nfs/dbraw/zinc/68/84/93/573688493.db2.gz JPEPVCRUKOEYBE-XNWCZRBMSA-N 0 0 195.649 2.768 10 0 AFAERN CNc1cncc(N[C@H](C)C(C)C)c1 122013520 573688517 /nfs/dbraw/zinc/68/85/17/573688517.db2.gz UENNTFCKCKMECT-SECBINFHSA-N 0 0 193.294 2.580 10 0 AFAERN C[C@H]1CCc2ccc(C[C@@H](C)O)cc21 258085544 573688527 /nfs/dbraw/zinc/68/85/27/573688527.db2.gz NLXNXJAOTKBUOY-VHSXEESVSA-N 0 0 190.286 2.660 10 0 AFAERN Cc1[nH]c2c(C)c(O)ccc2c1C 238479035 573688569 /nfs/dbraw/zinc/68/85/69/573688569.db2.gz BXNKFXILUOKVQV-UHFFFAOYSA-N 0 0 175.231 2.799 10 0 AFAERN Cc1cc(Cl)c(F)c(CO)c1C 258085551 573688585 /nfs/dbraw/zinc/68/85/85/573688585.db2.gz NMERIYBJRWJVPX-UHFFFAOYSA-N 0 0 188.629 2.588 10 0 AFAERN COCc1cc2ccc(C)cc2o1 257847497 573688601 /nfs/dbraw/zinc/68/86/01/573688601.db2.gz AOWKWVHTOFOXPH-UHFFFAOYSA-N 0 0 176.215 2.888 10 0 AFAERN CCCC[C@@H](CC)[C@@H](O)C1CC1 126799698 573688681 /nfs/dbraw/zinc/68/86/81/573688681.db2.gz XGZBDXWEDYRBBT-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1c(Cl)ncc(O)c1C(F)F 238478541 573688699 /nfs/dbraw/zinc/68/86/99/573688699.db2.gz CKVFFRYMSACYMU-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CC1(C)CC=C[C@@H]2CCC[C@@H]2C1=O 224970373 573688716 /nfs/dbraw/zinc/68/87/16/573688716.db2.gz YUNFDWUZLODJQV-UWVGGRQHSA-N 0 0 178.275 2.958 10 0 AFAERN CC1(C)CC=C[C@@H]2CCC[C@H]2C1=O 224970441 573688767 /nfs/dbraw/zinc/68/87/67/573688767.db2.gz YUNFDWUZLODJQV-VHSXEESVSA-N 0 0 178.275 2.958 10 0 AFAERN CN[C@H](CCC(C)(C)C)C(F)(F)F 126807461 573688782 /nfs/dbraw/zinc/68/87/82/573688782.db2.gz OGURINUWWXUVLQ-SSDOTTSWSA-N 0 0 197.244 2.963 10 0 AFAERN CC(C)Oc1ccccc1[C@H](C)CO 257847431 573688813 /nfs/dbraw/zinc/68/88/13/573688813.db2.gz QNTPWLWUXRRYLE-SNVBAGLBSA-N 0 0 194.274 2.570 10 0 AFAERN CCC(=O)C[C@@H]1CCOC2(CCC2)C1 86905561 573688913 /nfs/dbraw/zinc/68/89/13/573688913.db2.gz XULJWYSACUBYBM-JTQLQIEISA-N 0 0 196.290 2.705 10 0 AFAERN C=C/C(=C/C)[C@@H](O)c1ccccc1 237983679 573688939 /nfs/dbraw/zinc/68/89/39/573688939.db2.gz VRGWFWYMJYKUSN-GFSSTFBJSA-N 0 0 174.243 2.852 10 0 AFAERN C/C=C(/C)[C@H](O)c1ccc(F)cc1 237982613 573688964 /nfs/dbraw/zinc/68/89/64/573688964.db2.gz PCHXYMAMGFLVDP-DZHRUPLWSA-N 0 0 180.222 2.825 10 0 AFAERN Cc1ccc(COC(C)C)cc1N 258084742 573689031 /nfs/dbraw/zinc/68/90/31/573689031.db2.gz IUJAJGDURFSPKL-UHFFFAOYSA-N 0 0 179.263 2.502 10 0 AFAERN C[C@H](O)Cc1ccc2c(c1)[C@@H](C)CC2 258085543 573689038 /nfs/dbraw/zinc/68/90/38/573689038.db2.gz NLXNXJAOTKBUOY-UWVGGRQHSA-N 0 0 190.286 2.660 10 0 AFAERN CC(C)C(=O)[C@@H]1CCOC2(CCC2)C1 86908957 573689045 /nfs/dbraw/zinc/68/90/45/573689045.db2.gz RRZADXNGJNLDQK-SNVBAGLBSA-N 0 0 196.290 2.561 10 0 AFAERN C[C@H]1C[C@@H](C)Nc2cc(N)ccc21 238479502 573689048 /nfs/dbraw/zinc/68/90/48/573689048.db2.gz RUKPQNOIHNBBKH-JGVFFNPUSA-N 0 0 176.263 2.576 10 0 AFAERN Nc1cocc1-c1cccc(F)c1 258084729 573689096 /nfs/dbraw/zinc/68/90/96/573689096.db2.gz IUCZAGIVTJPYCG-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN OC1(c2ccc(C3CC3)c(F)c2)CC1 258093568 573689105 /nfs/dbraw/zinc/68/91/05/573689105.db2.gz OFAGGXOVVJNXMO-UHFFFAOYSA-N 0 0 192.233 2.685 10 0 AFAERN Cc1cc(Cl)cc(C[C@H](C)O)c1 258085563 573689130 /nfs/dbraw/zinc/68/91/30/573689130.db2.gz NMNCWHHPGIJDOS-QMMMGPOBSA-N 0 0 184.666 2.572 10 0 AFAERN CCC(=O)[C@@H]1CCOC2(CCCC2)C1 86909021 573689151 /nfs/dbraw/zinc/68/91/51/573689151.db2.gz IKYUXNFYDUOYSJ-SNVBAGLBSA-N 0 0 196.290 2.705 10 0 AFAERN Cc1cc(O)cc(OC(C)(C)C)c1O 238479158 573689222 /nfs/dbraw/zinc/68/92/22/573689222.db2.gz DPKDBWPAFYEPBB-UHFFFAOYSA-N 0 0 196.246 2.584 10 0 AFAERN CNc1cncc(N[C@@H](C)C(C)C)c1 122013758 573689226 /nfs/dbraw/zinc/68/92/26/573689226.db2.gz UENNTFCKCKMECT-VIFPVBQESA-N 0 0 193.294 2.580 10 0 AFAERN CCCC(=O)[C@H]1CCOC2(CCC2)C1 86909118 573689265 /nfs/dbraw/zinc/68/92/65/573689265.db2.gz ZJQYBEUGAWCDFL-JTQLQIEISA-N 0 0 196.290 2.705 10 0 AFAERN c1ccn(C2CCSCC2)c1 122027337 573689331 /nfs/dbraw/zinc/68/93/31/573689331.db2.gz LNLNRKIBXGPKDT-UHFFFAOYSA-N 0 0 167.277 2.556 10 0 AFAERN CC(=O)CC1=CC[C@@H](C)CC1 238479306 573689467 /nfs/dbraw/zinc/68/94/67/573689467.db2.gz ZPWXMPXJMQGEME-MRVPVSSYSA-N 0 0 152.237 2.712 10 0 AFAERN C/C=C(/C)[C@H](O)CCC(C)C 237982095 573689475 /nfs/dbraw/zinc/68/94/75/573689475.db2.gz SOYNZDOELHYTKJ-HYHWUIIZSA-N 0 0 156.269 2.750 10 0 AFAERN C[C@H]1C[C@@H](C)Nc2c(O)cccc21 238479525 573689491 /nfs/dbraw/zinc/68/94/91/573689491.db2.gz OYXRKHLGWPVTLY-JGVFFNPUSA-N 0 0 177.247 2.700 10 0 AFAERN C/C=C(/[C@H](O)C(C)C)[Si](C)(C)C 237988672 573689502 /nfs/dbraw/zinc/68/95/02/573689502.db2.gz ZRIUNZDTMZNBQY-UJICNMFASA-N 0 0 186.371 2.827 10 0 AFAERN C[C@@H]1[C@@H](O)CC[C@H]1C1CC2(CCC2)C1 717536410 573689675 /nfs/dbraw/zinc/68/96/75/573689675.db2.gz JBZYEUNAXXNSPQ-WCQGTBRESA-N 0 0 194.318 2.974 10 0 AFAERN C[C@H]1C[C@@H](C)Cc2c(O)ccc(O)c21 238479422 573689713 /nfs/dbraw/zinc/68/97/13/573689713.db2.gz FPHHWJLGMVFZOF-SFYZADRCSA-N 0 0 192.258 2.784 10 0 AFAERN CC(=O)[C@@H]1CCOC2(CCCCC2)C1 86909100 573689760 /nfs/dbraw/zinc/68/97/60/573689760.db2.gz MWLRHGGSMRAFFY-LLVKDONJSA-N 0 0 196.290 2.705 10 0 AFAERN CCc1cccc(CC)c1[C@H](C)O 258094044 573689798 /nfs/dbraw/zinc/68/97/98/573689798.db2.gz XCSBJNQFNJUJQC-VIFPVBQESA-N 0 0 178.275 2.865 10 0 AFAERN CC1(C)CC=C[C@H]2CCC[C@@H]2C1=O 224970409 573689941 /nfs/dbraw/zinc/68/99/41/573689941.db2.gz YUNFDWUZLODJQV-ZJUUUORDSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1cc(O)cc2c1[C@@H](C)C[C@@H](C)O2 238479372 573689998 /nfs/dbraw/zinc/68/99/98/573689998.db2.gz BQFBMFYFHVTBBN-IONNQARKSA-N 0 0 192.258 2.975 10 0 AFAERN CC(C)[C@H](CCC1CCCCC1)NN 126792913 573690108 /nfs/dbraw/zinc/69/01/08/573690108.db2.gz WKPISMWVEFGUFH-LBPRGKRZSA-N 0 0 198.354 2.835 10 0 AFAERN CCCC[C@@H](CC)[C@H](O)C1CC1 126799216 573690132 /nfs/dbraw/zinc/69/01/32/573690132.db2.gz XGZBDXWEDYRBBT-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC1=Nc2ccccc2N[C@H](C)C1 238478659 573690291 /nfs/dbraw/zinc/69/02/91/573690291.db2.gz CRXJFNQBEMPDEQ-MRVPVSSYSA-N 0 0 174.247 2.983 10 0 AFAERN C/C=C(/C)[C@@H](O)C1=CCCCC1 237979083 573690318 /nfs/dbraw/zinc/69/03/18/573690318.db2.gz BMJAKAHAHZOVCR-IMAIQDNJSA-N 0 0 166.264 2.814 10 0 AFAERN CCC(=O)[C@H]1CCOC2(CCCC2)C1 86909025 573690362 /nfs/dbraw/zinc/69/03/62/573690362.db2.gz IKYUXNFYDUOYSJ-JTQLQIEISA-N 0 0 196.290 2.705 10 0 AFAERN Cc1coc(CC[C@@H](O)C(C)C)c1 716100460 573690445 /nfs/dbraw/zinc/69/04/45/573690445.db2.gz AKKYUXRLXIVLMV-LLVKDONJSA-N 0 0 182.263 2.538 10 0 AFAERN CC[C@@H](F)C[N@@H+]1CC[C@](C)(CC)C1 308422290 573690449 /nfs/dbraw/zinc/69/04/49/573690449.db2.gz PBNYQMSEPOQVSI-MNOVXSKESA-N 0 0 187.302 2.857 10 0 AFAERN CC(=O)O/C=C\Cc1ccc(C)cc1 308419460 573691734 /nfs/dbraw/zinc/69/17/34/573691734.db2.gz UOFPHDJDFRWWRT-OQFOIZHKSA-N 0 0 190.242 2.614 10 0 AFAERN C[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C 238479877 573691167 /nfs/dbraw/zinc/69/11/67/573691167.db2.gz IXIDZZCIQHXMCI-WCABBAIRSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cc(Cl)cc(C[C@@H](C)O)c1 258085562 573691176 /nfs/dbraw/zinc/69/11/76/573691176.db2.gz NMNCWHHPGIJDOS-MRVPVSSYSA-N 0 0 184.666 2.572 10 0 AFAERN C[C@H]1CC(=O)c2occc2C1(C)C 238479997 573691192 /nfs/dbraw/zinc/69/11/92/573691192.db2.gz MACKZSREBPIKLX-ZETCQYMHSA-N 0 0 178.231 2.780 10 0 AFAERN C[C@@H]1C[C@H](C2=CCCCC2)C1=O 238479745 573691199 /nfs/dbraw/zinc/69/11/99/573691199.db2.gz KOBZWQIJYBEZME-PSASIEDQSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1ccc(Cl)cc1N(C)C#N 259170411 573691367 /nfs/dbraw/zinc/69/13/67/573691367.db2.gz GRCIUYYGDFNZOX-UHFFFAOYSA-N 0 0 180.638 2.566 10 0 AFAERN CC(C)C(=O)[C@@H]1CC=CCC1 224576313 573691750 /nfs/dbraw/zinc/69/17/50/573691750.db2.gz VHPREUPHEQBHMC-SECBINFHSA-N 0 0 152.237 2.568 10 0 AFAERN C[C@H]1CC(=O)[C@@H](C2CCCC2)C1 238479784 573691401 /nfs/dbraw/zinc/69/14/01/573691401.db2.gz JKZULBINKJEHDJ-PSASIEDQSA-N 0 0 166.264 2.792 10 0 AFAERN CC1=CC[C@H]2[C@H]1CC(=O)C2(C)C 224572934 573691424 /nfs/dbraw/zinc/69/14/24/573691424.db2.gz HZXVGTNYNGHNBU-IUCAKERBSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccc(C2=NC(C)C(=O)S2)o1 259165331 573691465 /nfs/dbraw/zinc/69/14/65/573691465.db2.gz FFEHZOZFBUSJBW-UHFFFAOYSA-N 0 0 195.243 2.726 10 0 AFAERN C/C=C/C(=O)N(C)[C@H]1CCC[C@H](C)C1 83860709 573691508 /nfs/dbraw/zinc/69/15/08/573691508.db2.gz MSSQDHQLHSLCMS-LJRGRFNSSA-N 0 0 195.306 2.600 10 0 AFAERN C/C(=C/CO)C[C@H]1C=CCCC1 238479903 573691518 /nfs/dbraw/zinc/69/15/18/573691518.db2.gz ASABDVPSCCYWTA-BRNRAETOSA-N 0 0 166.264 2.671 10 0 AFAERN CCC[C@@H](C)[C@H](O)CC1CC1 145953573 573691534 /nfs/dbraw/zinc/69/15/34/573691534.db2.gz GVHFFVKNPNNOMO-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@H](F)c1ccccc1C(C)(C)CO 258085630 573691597 /nfs/dbraw/zinc/69/15/97/573691597.db2.gz NPANRULDDKQAKI-VIFPVBQESA-N 0 0 196.265 2.987 10 0 AFAERN Cc1cccc([C@@]23CC[C@@H](C2)OC3)c1 258414542 573691628 /nfs/dbraw/zinc/69/16/28/573691628.db2.gz ZTWBSNPOSSKIRX-STQMWFEESA-N 0 0 188.270 2.816 10 0 AFAERN CCCC[C@H](CC)[C@@H](O)C1CC1 126799950 573691725 /nfs/dbraw/zinc/69/17/25/573691725.db2.gz XGZBDXWEDYRBBT-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1c(N)c(Cl)cc2c1C[C@H](C)O2 238479719 573691768 /nfs/dbraw/zinc/69/17/68/573691768.db2.gz GDYQFOXYMSOSDG-YFKPBYRVSA-N 0 0 197.665 2.554 10 0 AFAERN COC(=N)c1cccc(C(F)F)c1 124888292 573692462 /nfs/dbraw/zinc/69/24/62/573692462.db2.gz VKSGSDLYZMJBKP-UHFFFAOYSA-N 0 0 185.173 2.596 10 0 AFAERN CC(=O)CC[C@H]1CCOC2(CCC2)C1 86915071 573692463 /nfs/dbraw/zinc/69/24/63/573692463.db2.gz LPQKHQNFTDKAML-NSHDSACASA-N 0 0 196.290 2.705 10 0 AFAERN C/C=C(/C)[C@@H](O)CCC(C)C 237979303 573692551 /nfs/dbraw/zinc/69/25/51/573692551.db2.gz SOYNZDOELHYTKJ-BSKOKIOFSA-N 0 0 156.269 2.750 10 0 AFAERN CC1=C(CCCO)[C@@H](C)CCC1 238485517 573692577 /nfs/dbraw/zinc/69/25/77/573692577.db2.gz ANGBTZLDDDHOPJ-VIFPVBQESA-N 0 0 168.280 2.895 10 0 AFAERN C[C@@H](F)c1ccccc1C(C)(C)CO 258085628 573692623 /nfs/dbraw/zinc/69/26/23/573692623.db2.gz NPANRULDDKQAKI-SECBINFHSA-N 0 0 196.265 2.987 10 0 AFAERN C/C=C(/C)C[C@H]1CCCC[C@H]1O 237977446 573692792 /nfs/dbraw/zinc/69/27/92/573692792.db2.gz DGTPFQBNWBYLJM-GIGCTMKZSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H](O)Cc1ccc2c(c1)[C@H](C)CC2 258085542 573692846 /nfs/dbraw/zinc/69/28/46/573692846.db2.gz NLXNXJAOTKBUOY-NXEZZACHSA-N 0 0 190.286 2.660 10 0 AFAERN C/C=C(/C)[C@@H](O)c1ccc(F)cc1 237979965 573692869 /nfs/dbraw/zinc/69/28/69/573692869.db2.gz PCHXYMAMGFLVDP-UVYAAXSVSA-N 0 0 180.222 2.825 10 0 AFAERN CC(C)(F)c1cccc(C2(O)CC2)c1 258085577 573692876 /nfs/dbraw/zinc/69/28/76/573692876.db2.gz NMYZUIPKWBGOHN-UHFFFAOYSA-N 0 0 194.249 2.873 10 0 AFAERN C/C=C/C(=C/CO)c1ccccc1 237992092 573694374 /nfs/dbraw/zinc/69/43/74/573694374.db2.gz MGPJFDMPXNJKKZ-QXBMDZOZSA-N 0 0 174.243 2.638 10 0 AFAERN OC1(CCC2CC2)CCCCC1 236479429 573693758 /nfs/dbraw/zinc/69/37/58/573693758.db2.gz CGCXNCVHCDGZOX-UHFFFAOYSA-N 0 0 168.280 2.872 10 0 AFAERN Cc1cc(C[C@@H](C)[C@H](C)O)c(C)s1 238481938 573693762 /nfs/dbraw/zinc/69/37/62/573693762.db2.gz JKGYVYPAUPUNRL-APPZFPTMSA-N 0 0 198.331 2.924 10 0 AFAERN CCC[C@H](C)Nc1cncc(NC)c1 122069835 573693765 /nfs/dbraw/zinc/69/37/65/573693765.db2.gz JMHOAXFZLPOOJI-VIFPVBQESA-N 0 0 193.294 2.724 10 0 AFAERN Cc1cccc(C(F)(F)C2(N)CC2)c1 257851244 573693788 /nfs/dbraw/zinc/69/37/88/573693788.db2.gz OYRJWHGMNSVTKW-UHFFFAOYSA-N 0 0 197.228 2.578 10 0 AFAERN C=C/C(C)=C\CC[C@@H](O)CC 238306281 573693819 /nfs/dbraw/zinc/69/38/19/573693819.db2.gz OCLHVNQLMTTZSS-RNKPRXRFSA-N 0 0 154.253 2.670 10 0 AFAERN Cc1ccoc1-c1ccccc1O 238481509 573693867 /nfs/dbraw/zinc/69/38/67/573693867.db2.gz NDEMLHOFFHPWKZ-UHFFFAOYSA-N 0 0 174.199 2.961 10 0 AFAERN CC[C@@H](C)Sc1nnc(C(C)C)[nH]1 393550472 573693929 /nfs/dbraw/zinc/69/39/29/573693929.db2.gz COEUTHXAEFRUNQ-SSDOTTSWSA-N 0 0 199.323 2.819 10 0 AFAERN CCCc1ccc(CCO)cc1Cl 257851274 573693994 /nfs/dbraw/zinc/69/39/94/573693994.db2.gz RWVPEWFMGMPQMJ-UHFFFAOYSA-N 0 0 198.693 2.827 10 0 AFAERN CC1=CC[C@@H]2[C@H]1CC(=O)C2(C)C 224572886 573694172 /nfs/dbraw/zinc/69/41/72/573694172.db2.gz HZXVGTNYNGHNBU-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1c(C)c(O)c2c(c1C)O[C@@H](C)C2 238480858 573694174 /nfs/dbraw/zinc/69/41/74/573694174.db2.gz UJIWJIBFVCPHCG-LURJTMIESA-N 0 0 192.258 2.641 10 0 AFAERN C/C=C/C(=O)N(C)[C@H]1CCC[C@@H](C)C1 83860712 573694194 /nfs/dbraw/zinc/69/41/94/573694194.db2.gz MSSQDHQLHSLCMS-MRUFAENASA-N 0 0 195.306 2.600 10 0 AFAERN COc1cccc2c(C)c(O)ccc12 258086800 573694319 /nfs/dbraw/zinc/69/43/19/573694319.db2.gz IISGUTXVBBTRCB-UHFFFAOYSA-N 0 0 188.226 2.862 10 0 AFAERN Cc1cc2cccc([C@H](C)O)c2o1 258086485 573694336 /nfs/dbraw/zinc/69/43/36/573694336.db2.gz NCUWIHPXVVQSBP-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN C[C@H]1CCC2=C(C1)NC(=O)CC2(C)C 238480887 573695152 /nfs/dbraw/zinc/69/51/52/573695152.db2.gz KMQGHCYQSRURQT-QMMMGPOBSA-N 0 0 193.290 2.607 10 0 AFAERN Cc1coc([C@H]2CCCC[C@@H](O)C2)c1 716103959 573695658 /nfs/dbraw/zinc/69/56/58/573695658.db2.gz MCGZDJJNKGHXHI-WDEREUQCSA-N 0 0 194.274 2.997 10 0 AFAERN Nc1ccc(F)cc1NCCC1CC1 83893566 573695198 /nfs/dbraw/zinc/69/51/98/573695198.db2.gz AHTZHBLRXBKSAU-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN Cc1ccc2c(CCO)csc2c1 257847092 573695241 /nfs/dbraw/zinc/69/52/41/573695241.db2.gz DHENQYRAPVZUIB-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN Cc1ccc(O)c2c1N[C@@H](C)[C@@H](C)C2 238480992 573695298 /nfs/dbraw/zinc/69/52/98/573695298.db2.gz BLHQTTYTVONRID-IUCAKERBSA-N 0 0 191.274 2.693 10 0 AFAERN Cc1ccc(-c2nncs2)cc1F 238481845 573695381 /nfs/dbraw/zinc/69/53/81/573695381.db2.gz SNEZBYRRACQMNC-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1ccccc1Nc1cnns1 238481562 573695386 /nfs/dbraw/zinc/69/53/86/573695386.db2.gz WAEBVBIOMISRAT-UHFFFAOYSA-N 0 0 191.259 2.590 10 0 AFAERN Cc1ccc(-c2nncs2)c(C)c1 238481638 573695431 /nfs/dbraw/zinc/69/54/31/573695431.db2.gz SWTFUOUXWCIUPK-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CCNc1cncc(NCC(C)C)c1 122060395 573695509 /nfs/dbraw/zinc/69/55/09/573695509.db2.gz LTYAWUQOQJEMIZ-UHFFFAOYSA-N 0 0 193.294 2.581 10 0 AFAERN C/C=C(/C)[C@@H](O)c1cccc(F)c1 237980003 573695529 /nfs/dbraw/zinc/69/55/29/573695529.db2.gz KRHSMUNFULYLTJ-UVYAAXSVSA-N 0 0 180.222 2.825 10 0 AFAERN C[C@@H]1CC/C(=C/c2ccccc2)[C@@H]1O 238481639 573695545 /nfs/dbraw/zinc/69/55/45/573695545.db2.gz QPYXXQOBDSTHEX-VWEPKHBQSA-N 0 0 188.270 2.861 10 0 AFAERN C[C@H](F)c1ccc(C2(O)CC2)cc1 258088378 573695559 /nfs/dbraw/zinc/69/55/59/573695559.db2.gz WNCYIXYVRYDWPG-QMMMGPOBSA-N 0 0 180.222 2.699 10 0 AFAERN Cc1cc(CF)nc(C(F)F)c1 238481929 573695595 /nfs/dbraw/zinc/69/55/95/573695595.db2.gz HTTJQPTUQMWEPT-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN Cc1cc2c(F)c([C@@H](C)O)ccc2[nH]1 258085671 573695670 /nfs/dbraw/zinc/69/56/70/573695670.db2.gz NPQQLTXPVBTONF-SSDOTTSWSA-N 0 0 193.221 2.669 10 0 AFAERN Cc1csc(C2CCC(=O)CC2)n1 259162938 573695706 /nfs/dbraw/zinc/69/57/06/573695706.db2.gz IUVRUCGLIQHOST-UHFFFAOYSA-N 0 0 195.287 2.678 10 0 AFAERN c1cc2ccc3c(c2[nH]1)NCS3 238000524 573695740 /nfs/dbraw/zinc/69/57/40/573695740.db2.gz QLBUYGCPBUNECV-UHFFFAOYSA-N 0 0 176.244 2.643 10 0 AFAERN c1ccc2c3c([nH]c2c1)CCCCN3 197479669 573695832 /nfs/dbraw/zinc/69/58/32/573695832.db2.gz AEJHQQOYSIIYQT-UHFFFAOYSA-N 0 0 186.258 2.916 10 0 AFAERN Nc1c(F)cccc1NCCC1CC1 83893635 573695836 /nfs/dbraw/zinc/69/58/36/573695836.db2.gz LOXLHVQLDUDQSF-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN COSc1ccc(C)cc1C 259162460 573695840 /nfs/dbraw/zinc/69/58/40/573695840.db2.gz GUJIVKAAXBRLIZ-UHFFFAOYSA-N 0 0 168.261 2.957 10 0 AFAERN Cc1cc(CF)c(C(F)F)cn1 238481576 573695863 /nfs/dbraw/zinc/69/58/63/573695863.db2.gz BFOMQURUVGUNOP-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN Cc1[nH]c2c(N)ccc(F)c2c1C 238481297 573695869 /nfs/dbraw/zinc/69/58/69/573695869.db2.gz GTQKCHJECUZFER-UHFFFAOYSA-N 0 0 178.210 2.506 10 0 AFAERN C[C@H]1CC[C@@H](C)[C@@H](C)C(=O)[C@@H]1C 238481133 573695909 /nfs/dbraw/zinc/69/59/09/573695909.db2.gz RRLDNBKGTUGESS-UTINFBMNSA-N 0 0 168.280 2.894 10 0 AFAERN Nc1cc(F)ccc1NCCC1CC1 83893522 573695916 /nfs/dbraw/zinc/69/59/16/573695916.db2.gz NIQUSFOUDXMIDN-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN Cc1cc(N)c2c(C)ccoc1-2 238481640 573695937 /nfs/dbraw/zinc/69/59/37/573695937.db2.gz DGYWKSWZLXSWIE-UHFFFAOYSA-N 0 0 161.204 2.583 10 0 AFAERN CCc1cc(C(C)(C)O)c(C)cc1F 258088245 573695966 /nfs/dbraw/zinc/69/59/66/573695966.db2.gz NWKMYYKEHBTWTA-UHFFFAOYSA-N 0 0 196.265 2.924 10 0 AFAERN Cc1cc(CF)ncc1C(F)F 238482067 573696000 /nfs/dbraw/zinc/69/60/00/573696000.db2.gz AONHZCZTEHLTMU-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN Cc1ccc([C@@H](O)CC(F)F)cc1 238480960 573696016 /nfs/dbraw/zinc/69/60/16/573696016.db2.gz RUDNHSQOIOHDCG-VIFPVBQESA-N 0 0 186.201 2.684 10 0 AFAERN C1CC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C1 237997890 573700771 /nfs/dbraw/zinc/70/07/71/573700771.db2.gz RYKKPRYFAPLJIH-JXUBOQSCSA-N 0 0 136.238 2.833 10 0 AFAERN CCCc1cccc([C@](C)(F)CO)c1 257848431 573699252 /nfs/dbraw/zinc/69/92/52/573699252.db2.gz QYTPAYBNSPOUAE-GFCCVEGCSA-N 0 0 196.265 2.816 10 0 AFAERN C[C@@]1(C(=O)c2ccco2)CCCS1 122124200 573699262 /nfs/dbraw/zinc/69/92/62/573699262.db2.gz IJTWKSCMYUWZKS-JTQLQIEISA-N 0 0 196.271 2.748 10 0 AFAERN C[C@@H]1C[C@]1(C)CNc1cccnc1F 714733143 573699273 /nfs/dbraw/zinc/69/92/73/573699273.db2.gz GOSHWPDUPSPQPQ-LDYMZIIASA-N 0 0 194.253 2.679 10 0 AFAERN Cc1coc([C@H]2CCCC[C@H](O)C2)c1 716103957 573699277 /nfs/dbraw/zinc/69/92/77/573699277.db2.gz MCGZDJJNKGHXHI-QWRGUYRKSA-N 0 0 194.274 2.997 10 0 AFAERN Nc1cc(O)c2ccc(Cl)cc2c1 257848957 573699285 /nfs/dbraw/zinc/69/92/85/573699285.db2.gz OGQGWHPYACHWMW-UHFFFAOYSA-N 0 0 193.633 2.781 10 0 AFAERN Cc1ccc(NCCC2CC2)c(N)c1 83893630 573699374 /nfs/dbraw/zinc/69/93/74/573699374.db2.gz AYVVUPOOKQBNEV-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN Cc1c(C(F)F)cnc(F)c1F 238482471 573699398 /nfs/dbraw/zinc/69/93/98/573699398.db2.gz QCZNDHQNQIOURV-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN C/C=C/C(C)(C)[C@@H](O)C(C)(C)C 237995894 573699578 /nfs/dbraw/zinc/69/95/78/573699578.db2.gz DKGYTWAAWGKARQ-FLOXNTQESA-N 0 0 170.296 2.996 10 0 AFAERN C[C@H]1C[C@]1(C)CNc1cccnc1F 714733126 573699604 /nfs/dbraw/zinc/69/96/04/573699604.db2.gz GOSHWPDUPSPQPQ-GZMMTYOYSA-N 0 0 194.253 2.679 10 0 AFAERN Cc1cc(O)ccc1CC(F)(F)F 238482259 573699668 /nfs/dbraw/zinc/69/96/68/573699668.db2.gz SXAVKNNJMKDSKB-UHFFFAOYSA-N 0 0 190.164 2.805 10 0 AFAERN Cc1coc([C@H]2CCC[C@@H](O)C2)c1 716108362 573699699 /nfs/dbraw/zinc/69/96/99/573699699.db2.gz YZACXAGHUHEBAH-VHSXEESVSA-N 0 0 180.247 2.607 10 0 AFAERN CN1CCCc2c[nH]c3cccc1c23 197479793 573699785 /nfs/dbraw/zinc/69/97/85/573699785.db2.gz AOYOHLOIOORNPS-UHFFFAOYSA-N 0 0 186.258 2.550 10 0 AFAERN Cc1cc(O)ccc1Cc1ccco1 238482767 573699791 /nfs/dbraw/zinc/69/97/91/573699791.db2.gz AAAHDISDUYXXOY-UHFFFAOYSA-N 0 0 188.226 2.884 10 0 AFAERN C/C=C/C1=CCCCC[C@@H](O)C1 237997719 573699884 /nfs/dbraw/zinc/69/98/84/573699884.db2.gz GSPJBFDXGRYKPY-SVMXSECHSA-N 0 0 166.264 2.814 10 0 AFAERN Cc1c(N)cccc1NCCC1CC1 83893525 573699889 /nfs/dbraw/zinc/69/98/89/573699889.db2.gz MKSUAPXISGTXEW-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN c1ccc2cc(C3COC3)ccc2c1 238001006 573699935 /nfs/dbraw/zinc/69/99/35/573699935.db2.gz RBDVBVZWHKTPOI-UHFFFAOYSA-N 0 0 184.238 2.954 10 0 AFAERN C[C@H]1C=Cc2ccccc2[C@@H](O)C1 238483344 573699989 /nfs/dbraw/zinc/69/99/89/573699989.db2.gz MTKAWPWTODGHRY-CABZTGNLSA-N 0 0 174.243 2.773 10 0 AFAERN COc1ccc(CC(C)(C)C)cc1O 258099749 573700036 /nfs/dbraw/zinc/70/00/36/573700036.db2.gz NVWXJSWBCOAPKT-UHFFFAOYSA-N 0 0 194.274 2.989 10 0 AFAERN Cc1ccc(O)c(-c2oncc2C)c1 238482307 573700037 /nfs/dbraw/zinc/70/00/37/573700037.db2.gz XYAHBAVBVZZPCR-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN Cc1cc(-c2ccc(F)cc2F)on1 259169327 573700122 /nfs/dbraw/zinc/70/01/22/573700122.db2.gz JGUUIBQOUHXHJD-UHFFFAOYSA-N 0 0 195.168 2.928 10 0 AFAERN CC(C)=C[C@]1(O)CC(C)(C)OC1(C)C 86928155 573700164 /nfs/dbraw/zinc/70/01/64/573700164.db2.gz LPEAZOCTXMCPLN-LBPRGKRZSA-N 0 0 198.306 2.661 10 0 AFAERN CC(C)C[C@H](C)Nc1cncc(N)c1 122117756 573700272 /nfs/dbraw/zinc/70/02/72/573700272.db2.gz UBTRMJXVXSMWMT-VIFPVBQESA-N 0 0 193.294 2.510 10 0 AFAERN Cc1ccc(Cl)c2c1NC(=O)CC2 238482464 573700287 /nfs/dbraw/zinc/70/02/87/573700287.db2.gz SACDSYZMUHTPNU-UHFFFAOYSA-N 0 0 195.649 2.533 10 0 AFAERN C/C=C/C(=C\c1ccccc1)CO 237996846 573700294 /nfs/dbraw/zinc/70/02/94/573700294.db2.gz CHAKIZYZDFCPRH-ZFNKDKEHSA-N 0 0 174.243 2.638 10 0 AFAERN Cc1ccc(C)n1CCC1CC1 83912229 573700320 /nfs/dbraw/zinc/70/03/20/573700320.db2.gz HCGBZKSHHIMFCF-UHFFFAOYSA-N 0 0 163.264 2.905 10 0 AFAERN CC(C)=C(C)[C@H](C)[C@H]1C=C[C@@H](O)C1 238482119 573700363 /nfs/dbraw/zinc/70/03/63/573700363.db2.gz PDMXJQFLBBCUPF-SDDRHHMPSA-N 0 0 180.291 2.916 10 0 AFAERN Nc1ccc(NCCC2CC2)c(F)c1 83893587 573700406 /nfs/dbraw/zinc/70/04/06/573700406.db2.gz OAIQJUOZJLJXOI-UHFFFAOYSA-N 0 0 194.253 2.620 10 0 AFAERN CNSc1ccc(C)c(C)c1 259166993 573700422 /nfs/dbraw/zinc/70/04/22/573700422.db2.gz HCDADBKFTWUJCW-UHFFFAOYSA-N 0 0 167.277 2.530 10 0 AFAERN C/C=C/C=C(\C)[C@@H]1CCC[C@@H]1O 237998937 573700433 /nfs/dbraw/zinc/70/04/33/573700433.db2.gz HCZZQKWENPABTL-WJEYPACOSA-N 0 0 166.264 2.670 10 0 AFAERN CCC(=O)[C@H]1CC(C)(C)OC1(C)C 86928268 573700436 /nfs/dbraw/zinc/70/04/36/573700436.db2.gz ZYOYFIJXZKZPAK-MRVPVSSYSA-N 0 0 184.279 2.559 10 0 AFAERN C[C@@]1(C2CC2)CCCC(=O)C1 238482239 573700457 /nfs/dbraw/zinc/70/04/57/573700457.db2.gz PERLPZVAPDEHBC-SNVBAGLBSA-N 0 0 152.237 2.546 10 0 AFAERN C[C@H]1CCC=C2CC(=O)CC[C@@H]21 238482641 573700465 /nfs/dbraw/zinc/70/04/65/573700465.db2.gz CYRLIWYYADHBNJ-GZMMTYOYSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1ccc(C)c2c1C[C@H](C)C[C@@H]2O 238483176 573700516 /nfs/dbraw/zinc/70/05/16/573700516.db2.gz VJVZKEFNAZWUBJ-UFBFGSQYSA-N 0 0 190.286 2.919 10 0 AFAERN C[C@@H]1C[C@H](O)C[C@@H](c2ccccc2)C1 238482792 573700557 /nfs/dbraw/zinc/70/05/57/573700557.db2.gz GHTMXHMTNFGZAE-DRZSPHRISA-N 0 0 190.286 2.951 10 0 AFAERN Cc1ccccc1C1=NC(=O)OC1C 257848182 573700576 /nfs/dbraw/zinc/70/05/76/573700576.db2.gz OFMWAQJHPKSRMV-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN Cc1ccc(NCCC2CC2)cc1N 83893596 573700624 /nfs/dbraw/zinc/70/06/24/573700624.db2.gz QAQJSUGIDHSGED-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN C/C=C/C(C)=C/[C@H](C)C(C)=O 237996444 573700660 /nfs/dbraw/zinc/70/06/60/573700660.db2.gz OTZTTXPRIFCLFT-OGMCZCHJSA-N 0 0 152.237 2.734 10 0 AFAERN Cc1cc(C)c(N2CCCC2)cc1O 238483186 573700676 /nfs/dbraw/zinc/70/06/76/573700676.db2.gz ZFHKYMXFTBEVAH-UHFFFAOYSA-N 0 0 191.274 2.609 10 0 AFAERN O=c1cccc(C=Cc2ccccc2)[nH]1 308683438 573700704 /nfs/dbraw/zinc/70/07/04/573700704.db2.gz SZNTVXXHSPLWRG-KTKRTIGZSA-N 0 0 197.237 2.958 10 0 AFAERN Cc1ncn(C[C@H]2CC=CCC2)c1C 402312445 573701497 /nfs/dbraw/zinc/70/14/97/573701497.db2.gz CSVGBNHQFQZVLO-LBPRGKRZSA-N 0 0 190.290 2.856 10 0 AFAERN O[C@H](C1=CCCCC1)[C@@H]1CCSC1 236525151 573700995 /nfs/dbraw/zinc/70/09/95/573700995.db2.gz PTMAWZSGXWOYQW-GHMZBOCLSA-N 0 0 198.331 2.601 10 0 AFAERN CSc1cccc([C@H](C)CO)c1 257848387 573701043 /nfs/dbraw/zinc/70/10/43/573701043.db2.gz QTUVHAILYYJOMV-MRVPVSSYSA-N 0 0 182.288 2.504 10 0 AFAERN Cc1cc(C)c(F)c(OC2CC2)c1 238482287 573701047 /nfs/dbraw/zinc/70/10/47/573701047.db2.gz BVCOEOVQCDXOGM-UHFFFAOYSA-N 0 0 180.222 2.984 10 0 AFAERN C[C@H]1CCC=C1CC(C)(C)CO 238482374 573701212 /nfs/dbraw/zinc/70/12/12/573701212.db2.gz HPFJBXPOFKQDMK-VIFPVBQESA-N 0 0 168.280 2.751 10 0 AFAERN O=CSc1cccc(Cl)c1 259167080 573701292 /nfs/dbraw/zinc/70/12/92/573701292.db2.gz HCZMEDFIMGLEFW-UHFFFAOYSA-N 0 0 172.636 2.622 10 0 AFAERN C/C=C/C1=C[C@@H](O)CCCCC1 237998065 573701320 /nfs/dbraw/zinc/70/13/20/573701320.db2.gz GRLMTMLOSNTLCE-DUXGMUTMSA-N 0 0 166.264 2.814 10 0 AFAERN O[C@@H](C1=CCCCC1)c1cncs1 236515964 573701389 /nfs/dbraw/zinc/70/13/89/573701389.db2.gz DQQIENLQFDDUFG-JTQLQIEISA-N 0 0 195.287 2.677 10 0 AFAERN CC(C)C1=NC(=S)CS1 259169102 573701532 /nfs/dbraw/zinc/70/15/32/573701532.db2.gz FLQYVRHEGXBPMZ-UHFFFAOYSA-N 0 0 159.279 2.555 10 0 AFAERN C[C@H]1CCC=C2CCC[C@]21CCO 238482710 573701627 /nfs/dbraw/zinc/70/16/27/573701627.db2.gz DSZWJOGFNGYPEH-CMPLNLGQSA-N 0 0 180.291 2.895 10 0 AFAERN CC[C@H](CC1CCCCCC1)NN 126863098 573701669 /nfs/dbraw/zinc/70/16/69/573701669.db2.gz RQOCWVVEKJVORX-LLVKDONJSA-N 0 0 184.327 2.589 10 0 AFAERN C[C@H]1CCC=C1[C@H]1C(=O)CC1(C)C 238482522 573701677 /nfs/dbraw/zinc/70/16/77/573701677.db2.gz FAMASLMVGMCKAY-KWQFWETISA-N 0 0 178.275 2.958 10 0 AFAERN C[C@H]1CCC=C[C@]12CCC(=O)C2 238483239 573701723 /nfs/dbraw/zinc/70/17/23/573701723.db2.gz QCAAFTRJZIPBSC-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN CCCCCN1CC(=O)CCC1(C)C 259167518 573701781 /nfs/dbraw/zinc/70/17/81/573701781.db2.gz ALKUGWHURRGJOH-UHFFFAOYSA-N 0 0 197.322 2.620 10 0 AFAERN CC(C)C(=O)[C@@H]1CC(C)(C)OC1(C)C 86928270 573701848 /nfs/dbraw/zinc/70/18/48/573701848.db2.gz YQLGQPZJOSBLHN-VIFPVBQESA-N 0 0 198.306 2.805 10 0 AFAERN C=Cc1ccc2c(c1)N[C@@H](C)C2 238482990 573701859 /nfs/dbraw/zinc/70/18/59/573701859.db2.gz LAGDPZAOSDGQIS-QMMMGPOBSA-N 0 0 159.232 2.686 10 0 AFAERN CSc1cccc([C@@H](C)CO)c1 257848388 573701903 /nfs/dbraw/zinc/70/19/03/573701903.db2.gz QTUVHAILYYJOMV-QMMMGPOBSA-N 0 0 182.288 2.504 10 0 AFAERN CCCSCC(=O)CCC1CC1 83935913 573701907 /nfs/dbraw/zinc/70/19/07/573701907.db2.gz RDWIKQDOOKPYRP-UHFFFAOYSA-N 0 0 186.320 2.889 10 0 AFAERN CC(=O)c1csc2c(O)cccc12 258088803 573702285 /nfs/dbraw/zinc/70/22/85/573702285.db2.gz HUJRUFQHCABQPT-UHFFFAOYSA-N 0 0 192.239 2.810 10 0 AFAERN Cc1c(C(F)F)ncc(F)c1F 238482403 573701933 /nfs/dbraw/zinc/70/19/33/573701933.db2.gz CCCRLKYPTJGHLO-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN C/C=C/C(C)(C)[C@H](O)C(C)(C)C 237996044 573702007 /nfs/dbraw/zinc/70/20/07/573702007.db2.gz DKGYTWAAWGKARQ-FCZSHJHJSA-N 0 0 170.296 2.996 10 0 AFAERN CCCc1cccc([C@@](C)(F)CO)c1 257848432 573702068 /nfs/dbraw/zinc/70/20/68/573702068.db2.gz QYTPAYBNSPOUAE-LBPRGKRZSA-N 0 0 196.265 2.816 10 0 AFAERN C[C@H]1CCC=C2CC(=O)CC[C@H]21 238482629 573702122 /nfs/dbraw/zinc/70/21/22/573702122.db2.gz CYRLIWYYADHBNJ-KWQFWETISA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc2cc(CON)ccc2s1 258088773 573702139 /nfs/dbraw/zinc/70/21/39/573702139.db2.gz NHKFDFBPYHDLIQ-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN C/C=C/C=C/C(C)(C)CCO 238000210 573702144 /nfs/dbraw/zinc/70/21/44/573702144.db2.gz HTFLNWKFYGOTEG-YTXTXJHMSA-N 0 0 154.253 2.527 10 0 AFAERN Cc1ccsc1CCc1c[nH]cn1 238483156 573702176 /nfs/dbraw/zinc/70/21/76/573702176.db2.gz WDYATXGMNKMRGQ-UHFFFAOYSA-N 0 0 192.287 2.565 10 0 AFAERN c1ccc2c(c1)NC1=NCCCC[C@H]12 237997856 573702188 /nfs/dbraw/zinc/70/21/88/573702188.db2.gz DHKYSIHSWWTHND-JTQLQIEISA-N 0 0 186.258 2.587 10 0 AFAERN CC(=O)Cc1cccc2[nH]cc(C)c12 258088696 573702209 /nfs/dbraw/zinc/70/22/09/573702209.db2.gz NGVJXNOSEDEGIB-UHFFFAOYSA-N 0 0 187.242 2.608 10 0 AFAERN Cc1[nH]c2cc(N)c(F)cc2c1C 238483178 573702213 /nfs/dbraw/zinc/70/22/13/573702213.db2.gz IVYUJUHWZXLHQN-UHFFFAOYSA-N 0 0 178.210 2.506 10 0 AFAERN C[C@H]1Cc2ccc(O)cc2C[C@@H]1C 238483535 573703496 /nfs/dbraw/zinc/70/34/96/573703496.db2.gz CDJAALIWHXXEHP-IUCAKERBSA-N 0 0 176.259 2.763 10 0 AFAERN Cc1c(OC2CC2)ccc(F)c1F 238482281 573702303 /nfs/dbraw/zinc/70/23/03/573702303.db2.gz KIENHHRSFFRBLI-UHFFFAOYSA-N 0 0 184.185 2.814 10 0 AFAERN C/C=C/C=C(\C)[C@H]1CCC[C@@H]1O 237999063 573702241 /nfs/dbraw/zinc/70/22/41/573702241.db2.gz HCZZQKWENPABTL-OYZNCTDISA-N 0 0 166.264 2.670 10 0 AFAERN C[C@H]1CCC=C[C@@]12CCC(=O)C2 238483106 573702264 /nfs/dbraw/zinc/70/22/64/573702264.db2.gz QCAAFTRJZIPBSC-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1scnc1-c1ccncc1 108238342 573704913 /nfs/dbraw/zinc/70/49/13/573704913.db2.gz COEFCYBWMFMPSW-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN C[C@H]1CCCC(=O)[C@]12C=CCC2 238484155 573703414 /nfs/dbraw/zinc/70/34/14/573703414.db2.gz TTZUVRNBAYYYFJ-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1n[nH]cc1C1CCCCC1 75841136 573703460 /nfs/dbraw/zinc/70/34/60/573703460.db2.gz WPJSYMHNHBCRRU-UHFFFAOYSA-N 0 0 164.252 2.766 10 0 AFAERN Cc1c(F)cc(C(F)F)nc1F 238483964 573704925 /nfs/dbraw/zinc/70/49/25/573704925.db2.gz PKYCDIFRGULICD-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Cc1ccc2c(c1)NCC1(CC1)CO2 257849187 573704926 /nfs/dbraw/zinc/70/49/26/573704926.db2.gz AWSHTJNYOJDQKM-UHFFFAOYSA-N 0 0 189.258 2.580 10 0 AFAERN CCC(=O)Cc1cc(C)ccc1OC 50706217 573705386 /nfs/dbraw/zinc/70/53/86/573705386.db2.gz BISIHTDNYHDCMM-UHFFFAOYSA-N 0 0 192.258 2.525 10 0 AFAERN C[C@@H]1CC[C@H](c2nc(CO)cs2)C1 83942722 573704398 /nfs/dbraw/zinc/70/43/98/573704398.db2.gz XXVOXHAJGWJVMO-SFYZADRCSA-N 0 0 197.303 2.539 10 0 AFAERN Cc1ccccc1[C@@](C)(F)[C@H]1CC[NH2+]1 257849825 573704401 /nfs/dbraw/zinc/70/44/01/573704401.db2.gz OOBIWGLPKHONPZ-VXGBXAGGSA-N 0 0 193.265 2.542 10 0 AFAERN Nc1onc(Cl)c1-c1ccccc1 257849848 573704412 /nfs/dbraw/zinc/70/44/12/573704412.db2.gz OOOCSCLLIQOILO-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CC(C)CC[C@]1(O)CS[C@@H](C)C1 86939281 573704449 /nfs/dbraw/zinc/70/44/49/573704449.db2.gz OZMLDWVQAZUBEK-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN c1ccc2[nH]c(C3=[NH+]CCC3)cc2c1 238013068 573704465 /nfs/dbraw/zinc/70/44/65/573704465.db2.gz PTRCHMSDHCDHPA-UHFFFAOYSA-N 0 0 184.242 2.751 10 0 AFAERN CC(C)[C@@H](C)C(=O)C1CCC1 122152247 573704487 /nfs/dbraw/zinc/70/44/87/573704487.db2.gz MOMLBWRGHLFIAR-MRVPVSSYSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@H]1Cc2ccc([C@@H](C)CO)cc2C1 238483657 573704514 /nfs/dbraw/zinc/70/45/14/573704514.db2.gz KEEOUHWFJDIXLF-UWVGGRQHSA-N 0 0 190.286 2.517 10 0 AFAERN Fc1cccc(Cc2cncs2)c1 108235220 573704525 /nfs/dbraw/zinc/70/45/25/573704525.db2.gz OVFKORLFYRAHDX-UHFFFAOYSA-N 0 0 193.246 2.873 10 0 AFAERN Cc1coc([C@@H](O)[C@H](C)C2CC2)c1 716106885 573704563 /nfs/dbraw/zinc/70/45/63/573704563.db2.gz ULTOMVMBJICAFT-KCJUWKMLSA-N 0 0 180.247 2.668 10 0 AFAERN C[C@H]1Cc2ccc(N)cc2NC1(C)C 238483360 573704578 /nfs/dbraw/zinc/70/45/78/573704578.db2.gz ZLWRFHXOKFTDDL-QMMMGPOBSA-N 0 0 190.290 2.652 10 0 AFAERN CO[C@@H](C)CC(=O)CC1(C)CCC1 393552040 573704613 /nfs/dbraw/zinc/70/46/13/573704613.db2.gz SSCYDPQMTHYABS-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN Cc1ccc(OC2CCCC2)c(F)n1 238483740 573704614 /nfs/dbraw/zinc/70/46/14/573704614.db2.gz ADDCNSTWQGIGDW-UHFFFAOYSA-N 0 0 195.237 2.851 10 0 AFAERN C[C@H]1CC[C@H](c2ncc(CO)s2)C1 83943099 573704617 /nfs/dbraw/zinc/70/46/17/573704617.db2.gz RSCMVTDAAIOPRY-YUMQZZPRSA-N 0 0 197.303 2.539 10 0 AFAERN Cc1n[nH]c(C)c1[C@@H](C)C(F)(F)F 75839493 573704619 /nfs/dbraw/zinc/70/46/19/573704619.db2.gz WVQQXPYXYGAYFF-SCSAIBSYSA-N 0 0 192.184 2.692 10 0 AFAERN Cc1ccc(OC2CCC2)c(Cl)n1 238483481 573704625 /nfs/dbraw/zinc/70/46/25/573704625.db2.gz HSUCSTFYZZPNKI-UHFFFAOYSA-N 0 0 197.665 2.975 10 0 AFAERN C[C@@H]1CC[C@H](c2ncc(CO)s2)C1 83943097 573704628 /nfs/dbraw/zinc/70/46/28/573704628.db2.gz RSCMVTDAAIOPRY-SFYZADRCSA-N 0 0 197.303 2.539 10 0 AFAERN C[C@H]1CC[C@@H](CO)CC(C)(C)C1 238483645 573704634 /nfs/dbraw/zinc/70/46/34/573704634.db2.gz RVCASLADKQONTF-VHSXEESVSA-N 0 0 170.296 2.831 10 0 AFAERN O=C(CCC1CC1)C1CCC1 83935899 573704703 /nfs/dbraw/zinc/70/47/03/573704703.db2.gz BMNRCAKQRAHQTN-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1c(Cl)nsc1Cl 205745791 573704762 /nfs/dbraw/zinc/70/47/62/573704762.db2.gz CHQSXWWHDSDUKR-UHFFFAOYSA-N 0 0 168.048 2.758 10 0 AFAERN CC(C)CC[C@@]1(O)CS[C@H](C)C1 86939283 573704793 /nfs/dbraw/zinc/70/47/93/573704793.db2.gz OZMLDWVQAZUBEK-ZJUUUORDSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1ccc(Cl)c2[nH]c(=S)[nH]c12 238484101 573704814 /nfs/dbraw/zinc/70/48/14/573704814.db2.gz DONJNXRJRGAMQE-UHFFFAOYSA-N 0 0 198.678 2.813 10 0 AFAERN C[C@@H](c1ncccc1F)C(F)(F)F 75839787 573704830 /nfs/dbraw/zinc/70/48/30/573704830.db2.gz SEJNRYKLMAEHOM-YFKPBYRVSA-N 0 0 193.143 2.887 10 0 AFAERN Cc1ccccc1[C@](C)(F)[C@@H]1CC[NH2+]1 257849822 573704881 /nfs/dbraw/zinc/70/48/81/573704881.db2.gz OOBIWGLPKHONPZ-RYUDHWBXSA-N 0 0 193.265 2.542 10 0 AFAERN Cc1nc(Cl)c(NC(C)C)nc1C 83941268 573704943 /nfs/dbraw/zinc/70/49/43/573704943.db2.gz NFINNWIEVFSSLP-UHFFFAOYSA-N 0 0 199.685 2.567 10 0 AFAERN Cc1ccc(F)c([C@@H](C)[NH3+])c1Cl 75844997 573705713 /nfs/dbraw/zinc/70/57/13/573705713.db2.gz OOQBSEBOGZZKGB-ZCFIWIBFSA-N 0 0 187.645 2.807 10 0 AFAERN O=C(CCC1CC1)c1ccco1 83935750 573705028 /nfs/dbraw/zinc/70/50/28/573705028.db2.gz QTZGDWQUJQSXHJ-UHFFFAOYSA-N 0 0 164.204 2.653 10 0 AFAERN Cc1cc2c(cc1C)[C@H](O)CCCN2 238483658 573705040 /nfs/dbraw/zinc/70/50/40/573705040.db2.gz YOUWMDOOOMWJGH-GFCCVEGCSA-N 0 0 191.274 2.543 10 0 AFAERN CC1(C)C(=O)C[C@]2(C)CC[C@H]1C2 224567727 573705052 /nfs/dbraw/zinc/70/50/52/573705052.db2.gz SWFOHMKAAWLAAI-GZMMTYOYSA-N 0 0 166.264 2.792 10 0 AFAERN CC(=O)c1nocc1C1CCCCC1 257849455 573705101 /nfs/dbraw/zinc/70/51/01/573705101.db2.gz RFTZLDGFRODVRJ-UHFFFAOYSA-N 0 0 193.246 2.925 10 0 AFAERN C[C@H]1CCCC(=O)[C@H]2[C@@H]1C=C[C@H]2C 238483982 573705182 /nfs/dbraw/zinc/70/51/82/573705182.db2.gz AEHZPJVBROWCEN-BTQIBKBOSA-N 0 0 178.275 2.814 10 0 AFAERN c1nc2c([nH]1)CCCCCCCC2 238013708 573705219 /nfs/dbraw/zinc/70/52/19/573705219.db2.gz MPVXZWRDBFBNRU-UHFFFAOYSA-N 0 0 178.279 2.849 10 0 AFAERN CC(C)c1ccn(CCC2CC2)n1 393553126 573705259 /nfs/dbraw/zinc/70/52/59/573705259.db2.gz WJUSZVCSRGUMAX-UHFFFAOYSA-N 0 0 178.279 2.807 10 0 AFAERN CCC/C=C\CCNc1ccn(C)n1 308688999 573705263 /nfs/dbraw/zinc/70/52/63/573705263.db2.gz DURZTLJSIYNFOG-WAYWQWQTSA-N 0 0 193.294 2.578 10 0 AFAERN CC(C)c1nc2ccncc2s1 75839015 573705289 /nfs/dbraw/zinc/70/52/89/573705289.db2.gz HUDCJJONHRQMEC-UHFFFAOYSA-N 0 0 178.260 2.815 10 0 AFAERN Cc1ccc(F)c([C@H](C)[NH3+])c1Cl 75844998 573705305 /nfs/dbraw/zinc/70/53/05/573705305.db2.gz OOQBSEBOGZZKGB-LURJTMIESA-N 0 0 187.645 2.807 10 0 AFAERN CC(C)(C)CC[C@@]1(O)CCSC1 86938232 573705320 /nfs/dbraw/zinc/70/53/20/573705320.db2.gz PJAIYHFZLGGJHD-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN C[C@@H](c1ccccc1)c1cnn(C)c1 75841690 573705331 /nfs/dbraw/zinc/70/53/31/573705331.db2.gz SMCDCXZAHNRCMM-JTQLQIEISA-N 0 0 186.258 2.572 10 0 AFAERN CC(C)(C)CC[C@]1(O)CCSC1 86938231 573705369 /nfs/dbraw/zinc/70/53/69/573705369.db2.gz PJAIYHFZLGGJHD-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN CC[C@@H](C[C@H](C)CC(C)(C)C)NN 126867073 573705731 /nfs/dbraw/zinc/70/57/31/573705731.db2.gz KARZWGIKNFLOGP-UWVGGRQHSA-N 0 0 186.343 2.691 10 0 AFAERN C[C@H]1Cc2ccc(O)cc2C[C@H]1C 238483553 573705408 /nfs/dbraw/zinc/70/54/08/573705408.db2.gz CDJAALIWHXXEHP-DTWKUNHWSA-N 0 0 176.259 2.763 10 0 AFAERN CC[C@H](C)C[C@@]1(O)CS[C@@H](C)C1 86938810 573705412 /nfs/dbraw/zinc/70/54/12/573705412.db2.gz BHVQOCFEDZANDY-GUBZILKMSA-N 0 0 188.336 2.679 10 0 AFAERN O=C(CCC1CC1)c1ccoc1 83935848 573705428 /nfs/dbraw/zinc/70/54/28/573705428.db2.gz LMXXKDGRVYZXAY-UHFFFAOYSA-N 0 0 164.204 2.653 10 0 AFAERN CC(C)CC[C@]1(O)CS[C@H](C)C1 86939278 573705434 /nfs/dbraw/zinc/70/54/34/573705434.db2.gz OZMLDWVQAZUBEK-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN CC[C@H](OC)C(=O)CC1(C)CCCC1 308689609 573705645 /nfs/dbraw/zinc/70/56/45/573705645.db2.gz QYIFLYYDRGWSMI-NSHDSACASA-N 0 0 198.306 2.951 10 0 AFAERN c1ccc(NNC2CCCC2)cc1 238010990 573709928 /nfs/dbraw/zinc/70/99/28/573709928.db2.gz FRYWBIKPJKUSBR-UHFFFAOYSA-N 0 0 176.263 2.546 10 0 AFAERN Cc1c(C(F)F)cc(=O)[nH]c1Cl 238477563 573708001 /nfs/dbraw/zinc/70/80/01/573708001.db2.gz ZVQUSKWIUCRCNG-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1cccc2c1NC(=O)C[C@H](C)C2 238477374 573707298 /nfs/dbraw/zinc/70/72/98/573707298.db2.gz ZFJZCCMJFIDJSM-MRVPVSSYSA-N 0 0 189.258 2.516 10 0 AFAERN C[C@H]1CCC(=O)[C@]2(C)C=CCC=C12 238477605 573707305 /nfs/dbraw/zinc/70/73/05/573707305.db2.gz IAGUDBJXZDLGQB-JOYOIKCWSA-N 0 0 176.259 2.878 10 0 AFAERN CCCC(=O)N[C@H]1CCCCC[C@H]1C 83950169 573707403 /nfs/dbraw/zinc/70/74/03/573707403.db2.gz SCARPCADVBIPNF-MNOVXSKESA-N 0 0 197.322 2.872 10 0 AFAERN C/C(=C/C=C(Cl)Cl)CCO 238477578 573707412 /nfs/dbraw/zinc/70/74/12/573707412.db2.gz YQQCGUNHDWWZLV-KXFIGUGUSA-N 0 0 181.062 2.634 10 0 AFAERN C=C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1O 238477169 573707503 /nfs/dbraw/zinc/70/75/03/573707503.db2.gz WNMPWLDSEQLRTL-LSJOCFKGSA-N 0 0 166.264 2.515 10 0 AFAERN Cc1ccc(Cl)c([C@@H](C)[NH3+])c1F 75845001 573707547 /nfs/dbraw/zinc/70/75/47/573707547.db2.gz GXETVWPICAJWCE-ZCFIWIBFSA-N 0 0 187.645 2.807 10 0 AFAERN CCOc1nc2cc(CC)ccc2[nH]1 124930010 573707592 /nfs/dbraw/zinc/70/75/92/573707592.db2.gz HBJFFRSKFJFPGY-UHFFFAOYSA-N 0 0 190.246 2.524 10 0 AFAERN Cc1cc(C[C@H](O)CC2CC2)cs1 393553752 573707676 /nfs/dbraw/zinc/70/76/76/573707676.db2.gz HYFMJLTUDGNJMI-LLVKDONJSA-N 0 0 196.315 2.760 10 0 AFAERN CC(C)C(=O)N[C@H]1CCCCC[C@H]1C 83950178 573707716 /nfs/dbraw/zinc/70/77/16/573707716.db2.gz QTIZMEDZYQHOTR-MNOVXSKESA-N 0 0 197.322 2.727 10 0 AFAERN c1ccn2c(C3CCC3)[nH+]cc2c1 258100138 573707770 /nfs/dbraw/zinc/70/77/70/573707770.db2.gz XFJXTLSGBKMSEK-UHFFFAOYSA-N 0 0 172.231 2.602 10 0 AFAERN C[C@H](O)[C@@H]1CC[C@@H]2CCCC[C@@H]21 238477616 573707805 /nfs/dbraw/zinc/70/78/05/573707805.db2.gz UIWYELOSJDFSPQ-NAKRPEOUSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1CC(F)(F)[C@]1(F)Cl 78582743 573707881 /nfs/dbraw/zinc/70/78/81/573707881.db2.gz CPOGVCWIUNLLNP-UCORVYFPSA-N 0 0 158.550 2.566 10 0 AFAERN C[C@H]1CCC(=O)[C@H]2CCC=C1C2 238477395 573707919 /nfs/dbraw/zinc/70/79/19/573707919.db2.gz SEXXEDAZDPBDSI-WPRPVWTQSA-N 0 0 164.248 2.712 10 0 AFAERN CCOC(=O)N[C@@H]1CCCCC[C@@H]1C 83950158 573707926 /nfs/dbraw/zinc/70/79/26/573707926.db2.gz FISKXRJQKWECDF-VHSXEESVSA-N 0 0 199.294 2.701 10 0 AFAERN CC[C@H](C)[C@H](C)Nc1cncc(N)c1 122205188 573708079 /nfs/dbraw/zinc/70/80/79/573708079.db2.gz MNHBZLKZEORGCC-IUCAKERBSA-N 0 0 193.294 2.510 10 0 AFAERN O[C@@H](c1ccoc1)c1ccc(Cl)o1 236539971 573708104 /nfs/dbraw/zinc/70/81/04/573708104.db2.gz AJLKMIWTMLIZCU-VIFPVBQESA-N 0 0 198.605 2.608 10 0 AFAERN Cc1ccc(F)c([C@H](C)O)c1Cl 75852763 573708114 /nfs/dbraw/zinc/70/81/14/573708114.db2.gz GWMVUSZACZCNBY-LURJTMIESA-N 0 0 188.629 2.841 10 0 AFAERN CC1=CCC[C@]12C(=O)CC[C@@H]2C 238477580 573708209 /nfs/dbraw/zinc/70/82/09/573708209.db2.gz RNDVRCKNJXBOCJ-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN Cc1ccc([C@H](O)CC(F)F)cc1 238490963 573709784 /nfs/dbraw/zinc/70/97/84/573709784.db2.gz RUDNHSQOIOHDCG-SECBINFHSA-N 0 0 186.201 2.684 10 0 AFAERN C[C@H]1CCC(=O)[C@]23CC=CC[C@]12C3 238477635 573708258 /nfs/dbraw/zinc/70/82/58/573708258.db2.gz JXGYRFHMKUYUTM-ZMLRMANQSA-N 0 0 176.259 2.712 10 0 AFAERN C=CC1=CCC[C@@]2(C)C(=O)CC[C@@H]12 223300157 573709788 /nfs/dbraw/zinc/70/97/88/573709788.db2.gz AXVGRCLQFCQNMT-CMPLNLGQSA-N 0 0 176.259 2.878 10 0 AFAERN CC(C)C(=O)N[C@@H]1CCCCC[C@@H]1C 83950181 573708376 /nfs/dbraw/zinc/70/83/76/573708376.db2.gz QTIZMEDZYQHOTR-WDEREUQCSA-N 0 0 197.322 2.727 10 0 AFAERN CCc1ccccc1[C@H](O)C(C)C 75853972 573708403 /nfs/dbraw/zinc/70/84/03/573708403.db2.gz QXVQIUDGPBHTTH-GFCCVEGCSA-N 0 0 178.275 2.938 10 0 AFAERN C[C@H]1CCC(=O)[C@@]23C=C[C@@]12CCC3 238477653 573708410 /nfs/dbraw/zinc/70/84/10/573708410.db2.gz YUADWQDPTZBXHA-ZMLRMANQSA-N 0 0 176.259 2.712 10 0 AFAERN CC(C)(O)c1coc2cccc(F)c12 257850271 573708526 /nfs/dbraw/zinc/70/85/26/573708526.db2.gz DXIUGCCJSCKSGX-UHFFFAOYSA-N 0 0 194.205 2.799 10 0 AFAERN CCOC(=O)N[C@H]1CCCCC[C@@H]1C 83950159 573708529 /nfs/dbraw/zinc/70/85/29/573708529.db2.gz FISKXRJQKWECDF-UWVGGRQHSA-N 0 0 199.294 2.701 10 0 AFAERN C/C=C(/C)C[C@H](C)C[C@@H](C)CO 214798129 573708594 /nfs/dbraw/zinc/70/85/94/573708594.db2.gz PNPKQYCDHWLJKO-DESOLJLISA-N 0 0 170.296 2.997 10 0 AFAERN CCCC(=O)N[C@@H]1CCCCC[C@@H]1C 83950166 573708680 /nfs/dbraw/zinc/70/86/80/573708680.db2.gz SCARPCADVBIPNF-WDEREUQCSA-N 0 0 197.322 2.872 10 0 AFAERN CSCc1ccc(O)cc1C 258100530 573708736 /nfs/dbraw/zinc/70/87/36/573708736.db2.gz KMAPZESJTBNQAH-UHFFFAOYSA-N 0 0 168.261 2.564 10 0 AFAERN O[C@@H](c1ccc(Cl)o1)C1CCC1 236530626 573708838 /nfs/dbraw/zinc/70/88/38/573708838.db2.gz QTYJPPYLOPOCTA-SECBINFHSA-N 0 0 186.638 2.767 10 0 AFAERN Cc1cccc(C)c1[C@H](O)C(C)C 75853428 573708850 /nfs/dbraw/zinc/70/88/50/573708850.db2.gz ANUHFPUAAANCSJ-GFCCVEGCSA-N 0 0 178.275 2.993 10 0 AFAERN CC(C)C(=O)N[C@@H]1CCCCC[C@H]1C 83950180 573708927 /nfs/dbraw/zinc/70/89/27/573708927.db2.gz QTIZMEDZYQHOTR-GHMZBOCLSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1cncc(N)c1 122204498 573708953 /nfs/dbraw/zinc/70/89/53/573708953.db2.gz MNHBZLKZEORGCC-RKDXNWHRSA-N 0 0 193.294 2.510 10 0 AFAERN CC(C)c1cccc([C@H](F)CO)c1 257850275 573709038 /nfs/dbraw/zinc/70/90/38/573709038.db2.gz RKHSOZZFIFLJHP-LLVKDONJSA-N 0 0 182.238 2.813 10 0 AFAERN Cc1cccc([C@@H](O)C(C)C)c1F 75853362 573709063 /nfs/dbraw/zinc/70/90/63/573709063.db2.gz RVDRHTDARARMMY-NSHDSACASA-N 0 0 182.238 2.824 10 0 AFAERN Cc1cc(C=O)[nH]c1-c1ccccc1 108267380 573709091 /nfs/dbraw/zinc/70/90/91/573709091.db2.gz ONUCKOJPOTUKDZ-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN C[C@H]1CCC2=C(CCC(=S)N2)C1 238491110 573709164 /nfs/dbraw/zinc/70/91/64/573709164.db2.gz ARRBRBZOFDVXGI-ZETCQYMHSA-N 0 0 181.304 2.771 10 0 AFAERN CCOCc1cc2cccc(N)c2o1 257850768 573709365 /nfs/dbraw/zinc/70/93/65/573709365.db2.gz BNUSYDMRVCJZNY-UHFFFAOYSA-N 0 0 191.230 2.552 10 0 AFAERN Cc1cc(Cl)cc(CCCO)c1C 258100121 573709243 /nfs/dbraw/zinc/70/92/43/573709243.db2.gz KNIRXJHWCCVQSM-UHFFFAOYSA-N 0 0 198.693 2.882 10 0 AFAERN Cc1cc2cc([C@H](C)CO)ccc2o1 258100957 573709297 /nfs/dbraw/zinc/70/92/97/573709297.db2.gz OTXYASVJDNTDQT-MRVPVSSYSA-N 0 0 190.242 2.837 10 0 AFAERN Cc1cc2cc([C@@H](C)CO)ccc2o1 258100960 573709329 /nfs/dbraw/zinc/70/93/29/573709329.db2.gz OTXYASVJDNTDQT-QMMMGPOBSA-N 0 0 190.242 2.837 10 0 AFAERN C[C@@H]1C[C@]23CCC[C@@H]2CCC(=O)[C@@H]13 238490772 573709346 /nfs/dbraw/zinc/70/93/46/573709346.db2.gz RFVARPTXVQIQEK-CNVPUSNMSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@@]1(Cc2ccccc2)CCC[C@@H]1O 238491233 573709386 /nfs/dbraw/zinc/70/93/86/573709386.db2.gz DZMOMYKICZBTBE-STQMWFEESA-N 0 0 190.286 2.780 10 0 AFAERN CC(C)c1cccc([C@@H](F)CO)c1 257850276 573710617 /nfs/dbraw/zinc/71/06/17/573710617.db2.gz RKHSOZZFIFLJHP-NSHDSACASA-N 0 0 182.238 2.813 10 0 AFAERN C[C@@H]1c2ccccc2N[C@@H]2CCC[N@H+]21 238491018 573709561 /nfs/dbraw/zinc/70/95/61/573709561.db2.gz NENNXGPZTWVZMZ-SKDRFNHKSA-N 0 0 188.274 2.595 10 0 AFAERN CCCC(=O)N[C@H]1CCCCC[C@@H]1C 83950167 573709678 /nfs/dbraw/zinc/70/96/78/573709678.db2.gz SCARPCADVBIPNF-QWRGUYRKSA-N 0 0 197.322 2.872 10 0 AFAERN CC(C)C(=O)N[C@H]1CCCCC[C@@H]1C 83950179 573709684 /nfs/dbraw/zinc/70/96/84/573709684.db2.gz QTIZMEDZYQHOTR-QWRGUYRKSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1ccc(F)c([C@@H](C)O)c1Cl 75852762 573709754 /nfs/dbraw/zinc/70/97/54/573709754.db2.gz GWMVUSZACZCNBY-ZCFIWIBFSA-N 0 0 188.629 2.841 10 0 AFAERN Cc1ccc2c(c1)[C@@H]1CC[C@H]2C1=O 238491192 573709760 /nfs/dbraw/zinc/70/97/60/573709760.db2.gz DKDVWSLYBQDCAP-ZJUUUORDSA-N 0 0 172.227 2.539 10 0 AFAERN C[C@@H]1c2ccccc2N[C@H]2CCC[N@H+]21 238490990 573709803 /nfs/dbraw/zinc/70/98/03/573709803.db2.gz NENNXGPZTWVZMZ-BXKDBHETSA-N 0 0 188.274 2.595 10 0 AFAERN C[C@H]1CCC2=C(CO)CCC[C@@H]2C1 238491227 573709925 /nfs/dbraw/zinc/70/99/25/573709925.db2.gz QFVXFVGFORBUOE-VHSXEESVSA-N 0 0 180.291 2.895 10 0 AFAERN Cc1cc(C(C)(C)C)ccc1NC=O 238490524 573710043 /nfs/dbraw/zinc/71/00/43/573710043.db2.gz SHJFEJZTNCVOKC-UHFFFAOYSA-N 0 0 191.274 2.861 10 0 AFAERN c1cc(OC2CCCC2)co1 238011964 573710057 /nfs/dbraw/zinc/71/00/57/573710057.db2.gz IIPUVMFJEOPVNE-UHFFFAOYSA-N 0 0 152.193 2.601 10 0 AFAERN CCOC(=O)N[C@H]1CCCCC[C@H]1C 83950161 573710144 /nfs/dbraw/zinc/71/01/44/573710144.db2.gz FISKXRJQKWECDF-ZJUUUORDSA-N 0 0 199.294 2.701 10 0 AFAERN COc1cc(F)c(C(C)C)cc1C=O 257850550 573710200 /nfs/dbraw/zinc/71/02/00/573710200.db2.gz OVLBNKHXUCQAKN-UHFFFAOYSA-N 0 0 196.221 2.770 10 0 AFAERN CC(C)[C@@H](O)c1c(F)cccc1F 75853364 573710273 /nfs/dbraw/zinc/71/02/73/573710273.db2.gz HBDZYJZGPXZVCW-SNVBAGLBSA-N 0 0 186.201 2.654 10 0 AFAERN O[C@@H](c1ccoc1Cl)C1CCC1 236530780 573710353 /nfs/dbraw/zinc/71/03/53/573710353.db2.gz ISEWVDHSADMJCE-MRVPVSSYSA-N 0 0 186.638 2.767 10 0 AFAERN CC(C)c1noc2c(C=O)cccc12 257850571 573710450 /nfs/dbraw/zinc/71/04/50/573710450.db2.gz OVWBERKAPQNMAF-UHFFFAOYSA-N 0 0 189.214 2.764 10 0 AFAERN O=Cc1cc2oc3ccccc3c2[nH]1 108267370 573710482 /nfs/dbraw/zinc/71/04/82/573710482.db2.gz KTZGYMWCMCKRNQ-UHFFFAOYSA-N 0 0 185.182 2.727 10 0 AFAERN CC(=O)CCc1cncc(C(C)C)c1 259177155 573710543 /nfs/dbraw/zinc/71/05/43/573710543.db2.gz IAPWWGWFPXZOBD-UHFFFAOYSA-N 0 0 191.274 2.727 10 0 AFAERN CCOC(=O)N[C@@H]1CCCCC[C@H]1C 83950160 573710548 /nfs/dbraw/zinc/71/05/48/573710548.db2.gz FISKXRJQKWECDF-NXEZZACHSA-N 0 0 199.294 2.701 10 0 AFAERN Cc1cccc([C@H](O)C(C)C)c1F 75853361 573710594 /nfs/dbraw/zinc/71/05/94/573710594.db2.gz RVDRHTDARARMMY-LLVKDONJSA-N 0 0 182.238 2.824 10 0 AFAERN Nc1ccc(-c2ccc(Cl)cc2)[nH]1 258101458 573712236 /nfs/dbraw/zinc/71/22/36/573712236.db2.gz KRHUIHGPPUATGH-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN FC1(F)CC[C@H](c2ccncc2)C1 258890398 573712264 /nfs/dbraw/zinc/71/22/64/573712264.db2.gz UCMLVHANRWUUET-VIFPVBQESA-N 0 0 183.201 2.984 10 0 AFAERN Cc1cc(SC=O)ccc1Cl 259172143 573712275 /nfs/dbraw/zinc/71/22/75/573712275.db2.gz HQODFFNZQALQNI-UHFFFAOYSA-N 0 0 186.663 2.931 10 0 AFAERN CC(C)[C@H](O)c1ccc2[nH]ccc2c1 75853444 573712290 /nfs/dbraw/zinc/71/22/90/573712290.db2.gz KDWDLRFQHNXFMX-LBPRGKRZSA-N 0 0 189.258 2.857 10 0 AFAERN Cc1ccc(N)c2c1N[C@@H](C)[C@H](C)C2 238492289 573712294 /nfs/dbraw/zinc/71/22/94/573712294.db2.gz YXZPMDPWGNBODR-BDAKNGLRSA-N 0 0 190.290 2.570 10 0 AFAERN C[C@@]1(CO)C=CCC=C1[Si](C)(C)C 238493023 573712306 /nfs/dbraw/zinc/71/23/06/573712306.db2.gz WQPTYUOGXYGBBO-NSHDSACASA-N 0 0 196.366 2.749 10 0 AFAERN Cc1c(F)ccc2sncc12 238491989 573712078 /nfs/dbraw/zinc/71/20/78/573712078.db2.gz VLDUQGZBWNMHTM-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN FC1(F)CC[C@@H](c2ccncc2)C1 258890396 573712117 /nfs/dbraw/zinc/71/21/17/573712117.db2.gz UCMLVHANRWUUET-SECBINFHSA-N 0 0 183.201 2.984 10 0 AFAERN CC(C)c1nc([C@@H](C)C(C)C)no1 306688881 573712219 /nfs/dbraw/zinc/71/22/19/573712219.db2.gz KBGLIPXYMWEKHU-QMMMGPOBSA-N 0 0 182.267 2.953 10 0 AFAERN O[C@]1(CCC2CC2)C=CCCC1 236549122 573712212 /nfs/dbraw/zinc/71/22/12/573712212.db2.gz ICNSXERPAGCGJX-LLVKDONJSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@@H]1SCCC[C@]1(O)C(C)(C)C 86968056 573715607 /nfs/dbraw/zinc/71/56/07/573715607.db2.gz NEBSQYAIVFOMTD-WCBMZHEXSA-N 0 0 188.336 2.679 10 0 AFAERN C/C=C/C[C@H](O)c1ccccc1C 238020963 573712939 /nfs/dbraw/zinc/71/29/39/573712939.db2.gz OHQHNNKINDVTFF-PCAWENJQSA-N 0 0 176.259 2.995 10 0 AFAERN Nc1cccc(-c2ccc(N)s2)c1 258101634 573712579 /nfs/dbraw/zinc/71/25/79/573712579.db2.gz KRSACEUHADUCEB-UHFFFAOYSA-N 0 0 190.271 2.580 10 0 AFAERN C[C@H](CO)c1ccc2c(c1)[C@@H](C)CC2 258096132 573712587 /nfs/dbraw/zinc/71/25/87/573712587.db2.gz OHOLZPCLHWDVPS-VHSXEESVSA-N 0 0 190.286 2.832 10 0 AFAERN CC(=O)c1csc2cc(O)ccc12 257850152 573712605 /nfs/dbraw/zinc/71/26/05/573712605.db2.gz DUUDFPDOJFKSKF-UHFFFAOYSA-N 0 0 192.239 2.810 10 0 AFAERN O[C@@H](C1=CCCCC1)[C@H]1CCCS1 236546839 573712654 /nfs/dbraw/zinc/71/26/54/573712654.db2.gz GIDVPTOIRBWBTP-MNOVXSKESA-N 0 0 198.331 2.743 10 0 AFAERN Cc1cc(O)c2c(c1)C(C)(C)C=N2 238492416 573712687 /nfs/dbraw/zinc/71/26/87/573712687.db2.gz QCPPRIANAOGRLA-UHFFFAOYSA-N 0 0 175.231 2.694 10 0 AFAERN Cc1cc(O)c2[nH]c(C)c(C)c2c1 238492986 573712755 /nfs/dbraw/zinc/71/27/55/573712755.db2.gz NPYOCEAAGTVUKI-UHFFFAOYSA-N 0 0 175.231 2.799 10 0 AFAERN Cc1cc2c(cc1C)NC=CN2 238493041 573712772 /nfs/dbraw/zinc/71/27/72/573712772.db2.gz OKRAJWBGIMPOTQ-UHFFFAOYSA-N 0 0 160.220 2.612 10 0 AFAERN O[C@H](C1=CCCCC1)[C@H]1CCCS1 236548185 573712784 /nfs/dbraw/zinc/71/27/84/573712784.db2.gz GIDVPTOIRBWBTP-GHMZBOCLSA-N 0 0 198.331 2.743 10 0 AFAERN Cc1cc(O)c2c(C)c(C)oc2c1O 238493364 573712785 /nfs/dbraw/zinc/71/27/85/573712785.db2.gz DIIHUUDNOJPBNS-UHFFFAOYSA-N 0 0 192.214 2.769 10 0 AFAERN Cc1[nH]c2c(C)ccc(O)c2c1C 197507041 573712822 /nfs/dbraw/zinc/71/28/22/573712822.db2.gz VFEVUXKFISGEQU-UHFFFAOYSA-N 0 0 175.231 2.799 10 0 AFAERN C[C@@H](CO)c1ccc2c(c1)[C@H](C)CC2 258096136 573712844 /nfs/dbraw/zinc/71/28/44/573712844.db2.gz OHOLZPCLHWDVPS-ZJUUUORDSA-N 0 0 190.286 2.832 10 0 AFAERN C/C=C/C[C@H](O)[C@@H]1CC=CCC1 238020857 573712886 /nfs/dbraw/zinc/71/28/86/573712886.db2.gz QRQTZXUGUTZLKZ-NTYHVHHESA-N 0 0 166.264 2.670 10 0 AFAERN CCO[C@@H](C)C(=O)[C@H](C)CC(C)C 393554305 573712893 /nfs/dbraw/zinc/71/28/93/573712893.db2.gz MDBSCFLKRDFOIS-ZJUUUORDSA-N 0 0 186.295 2.663 10 0 AFAERN Cc1cc(O)c2c(c1C)C(=O)CCC2 238492141 573713148 /nfs/dbraw/zinc/71/31/48/573713148.db2.gz BQICMJVFSLFICP-UHFFFAOYSA-N 0 0 190.242 2.528 10 0 AFAERN C[C@H](CO)c1ccc2c(c1)[C@H](C)CC2 258096124 573713149 /nfs/dbraw/zinc/71/31/49/573713149.db2.gz OHOLZPCLHWDVPS-NXEZZACHSA-N 0 0 190.286 2.832 10 0 AFAERN CC(=O)CCc1ccncc1C(C)C 259173310 573713193 /nfs/dbraw/zinc/71/31/93/573713193.db2.gz HYITXYBKEXTKNB-UHFFFAOYSA-N 0 0 191.274 2.727 10 0 AFAERN C[C@H]1CCc2c(C=O)csc2C1 108276057 573715572 /nfs/dbraw/zinc/71/55/72/573715572.db2.gz GYIJZPCTAIQLCQ-ZETCQYMHSA-N 0 0 180.272 2.685 10 0 AFAERN CC[C@H](C)[C@]1(O)CCCS[C@@H]1C 86968318 573715777 /nfs/dbraw/zinc/71/57/77/573715777.db2.gz KNJYBHJOHRQXRV-IVZWLZJFSA-N 0 0 188.336 2.679 10 0 AFAERN c1ccc2c3c(cnc2c1)N=NC3 238038897 573715778 /nfs/dbraw/zinc/71/57/78/573715778.db2.gz ALFIRNXWNMVWFO-UHFFFAOYSA-N 0 0 169.187 2.832 10 0 AFAERN CC(C)=C[C@]1(O)CCCS[C@@H]1C 86968619 573715569 /nfs/dbraw/zinc/71/55/69/573715569.db2.gz UXHZLAVFYHJMRF-NXEZZACHSA-N 0 0 186.320 2.599 10 0 AFAERN CSc1ccc(C[C@H](C)O)c(C)c1 258098663 573715800 /nfs/dbraw/zinc/71/58/00/573715800.db2.gz OQVDJDYVDRNCBE-VIFPVBQESA-N 0 0 196.315 2.640 10 0 AFAERN CC(C)C[C@]1(O)CCCS[C@@H]1C 86968057 573715804 /nfs/dbraw/zinc/71/58/04/573715804.db2.gz XAPDGCYGQYNDDV-NXEZZACHSA-N 0 0 188.336 2.679 10 0 AFAERN CCC[C@H]1CCC(=O)c2cccn21 83963898 573715805 /nfs/dbraw/zinc/71/58/05/573715805.db2.gz XAAQQSKDMDSESI-VIFPVBQESA-N 0 0 177.247 2.806 10 0 AFAERN CCCC[C@@]1(O)CCCS[C@H]1C 86947912 573717393 /nfs/dbraw/zinc/71/73/93/573717393.db2.gz FVBIMDZOLFQVPW-VHSXEESVSA-N 0 0 188.336 2.823 10 0 AFAERN Cc1cc2[nH]nc(Cl)c2cc1C 238493625 573717399 /nfs/dbraw/zinc/71/73/99/573717399.db2.gz SAKOCRSJJHPSAF-UHFFFAOYSA-N 0 0 180.638 2.833 10 0 AFAERN C[C@H]1CCCC[C@@H](C)C(=O)C1 238492760 573715765 /nfs/dbraw/zinc/71/57/65/573715765.db2.gz UONGQQFGQCQQJX-DTWKUNHWSA-N 0 0 154.253 2.792 10 0 AFAERN C/C=C/[C@@H](O)c1ccccc1C 238039600 573715646 /nfs/dbraw/zinc/71/56/46/573715646.db2.gz JHBYDFHINRLCSG-ZXCPCRMDSA-N 0 0 162.232 2.605 10 0 AFAERN CC/C=C\C(=O)OC[C@@H](C)CC 215323729 573716044 /nfs/dbraw/zinc/71/60/44/573716044.db2.gz FDHIGJIKGVNMBL-NMTCXDENSA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)Cc1cc(C(F)(F)F)no1 259172377 573715816 /nfs/dbraw/zinc/71/58/16/573715816.db2.gz GWHLCGFHDLHJBZ-UHFFFAOYSA-N 0 0 193.168 2.892 10 0 AFAERN Cc1ccc(O)c2c1N[C@H](C)[C@H](C)C2 238492739 573715839 /nfs/dbraw/zinc/71/58/39/573715839.db2.gz BLHQTTYTVONRID-RKDXNWHRSA-N 0 0 191.274 2.693 10 0 AFAERN C[C@@H]1SCCC[C@@]1(O)C(C)(C)C 86968052 573715868 /nfs/dbraw/zinc/71/58/68/573715868.db2.gz NEBSQYAIVFOMTD-WPRPVWTQSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H]1CCc2c(C=O)csc2C1 108276055 573715908 /nfs/dbraw/zinc/71/59/08/573715908.db2.gz GYIJZPCTAIQLCQ-SSDOTTSWSA-N 0 0 180.272 2.685 10 0 AFAERN CCCCC[C@H]1CC[C@H](CO)CC1=O 215322552 573715995 /nfs/dbraw/zinc/71/59/95/573715995.db2.gz NXZNSVHDGGHFAX-QWRGUYRKSA-N 0 0 198.306 2.544 10 0 AFAERN CC(C)C[C@@]1(O)CCCS[C@H]1C 86968063 573716023 /nfs/dbraw/zinc/71/60/23/573716023.db2.gz XAPDGCYGQYNDDV-UWVGGRQHSA-N 0 0 188.336 2.679 10 0 AFAERN Cc1ccc(C(F)F)c(C2(O)CC2)c1 258098457 573716027 /nfs/dbraw/zinc/71/60/27/573716027.db2.gz OOLFYZJWQVCOHI-UHFFFAOYSA-N 0 0 198.212 2.914 10 0 AFAERN CC(C)[C@@H]1CCC(=O)c2cccn21 83963899 573716075 /nfs/dbraw/zinc/71/60/75/573716075.db2.gz AASBXECHOFIZOK-VIFPVBQESA-N 0 0 177.247 2.662 10 0 AFAERN C/C=C/[C@@H](O)c1cccc(C)c1 238039513 573716080 /nfs/dbraw/zinc/71/60/80/573716080.db2.gz BQUGEHVIWFWJSR-JOAKQRRISA-N 0 0 162.232 2.605 10 0 AFAERN Cc1c(F)cccc1[C@H]1CCC(=O)O1 238494767 573717432 /nfs/dbraw/zinc/71/74/32/573717432.db2.gz KBZQTULDBLDELM-SNVBAGLBSA-N 0 0 194.205 2.512 10 0 AFAERN Cc1cnc(C(=O)C(C)C)c(C)c1 197536514 573716221 /nfs/dbraw/zinc/71/62/21/573716221.db2.gz ODWARWSFHWRLRC-UHFFFAOYSA-N 0 0 177.247 2.537 10 0 AFAERN O[C@H](c1ccco1)c1ccc(Cl)o1 236580058 573716285 /nfs/dbraw/zinc/71/62/85/573716285.db2.gz DETOCVUTSJCAPX-SECBINFHSA-N 0 0 198.605 2.608 10 0 AFAERN CC(C)c1ccccc1[C@](C)(F)CO 257855042 573716323 /nfs/dbraw/zinc/71/63/23/573716323.db2.gz SXQQHSGPMNRUAE-GFCCVEGCSA-N 0 0 196.265 2.987 10 0 AFAERN Cc1ccc2c(Cl)c(CO)[nH]c2c1 258097191 573716405 /nfs/dbraw/zinc/71/64/05/573716405.db2.gz NNWIIGLCJOMNEZ-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN C/C=C/[C@@H](O)c1c[nH]c2ccccc12 238039418 573717448 /nfs/dbraw/zinc/71/74/48/573717448.db2.gz MMDGUQDUMSNYQS-ROLFPQFPSA-N 0 0 187.242 2.777 10 0 AFAERN C[C@@H](O)c1c(F)cc2occc2c1F 258098554 573716489 /nfs/dbraw/zinc/71/64/89/573716489.db2.gz OPWMZTTUIPPEAJ-RXMQYKEDSA-N 0 0 198.168 2.764 10 0 AFAERN C/C=C/[C@@H](O)c1c(C)cccc1C 238039377 573716547 /nfs/dbraw/zinc/71/65/47/573716547.db2.gz MCAVLMWFYHNLMW-DUMNWFOQSA-N 0 0 176.259 2.913 10 0 AFAERN O=C1CC[C@H]2CC3=C(CCC3)[C@@H]2C1 223300469 573716554 /nfs/dbraw/zinc/71/65/54/573716554.db2.gz RDGAVLFEBIVVDP-JOYOIKCWSA-N 0 0 176.259 2.856 10 0 AFAERN Cc1ccc(Cc2ccco2)c(O)c1 238494325 573716572 /nfs/dbraw/zinc/71/65/72/573716572.db2.gz IPKZEGIIIMHDMG-UHFFFAOYSA-N 0 0 188.226 2.884 10 0 AFAERN CC(C)C[C@]1(O)CCCS[C@H]1C 86968059 573716575 /nfs/dbraw/zinc/71/65/75/573716575.db2.gz XAPDGCYGQYNDDV-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN C=CC1=C[C@@H]2CCC(=O)C[C@@H]2CC1 223300535 573716653 /nfs/dbraw/zinc/71/66/53/573716653.db2.gz SYTVHJAURQCPCY-QWRGUYRKSA-N 0 0 176.259 2.878 10 0 AFAERN C/C=C/[C@@H](O)/C=C/C1=CCCCC1 238039285 573716693 /nfs/dbraw/zinc/71/66/93/573716693.db2.gz TYAYCDJJTXDJGP-MYXOWJSUSA-N 0 0 178.275 2.980 10 0 AFAERN CC/C=C\C(=O)OC[C@H](C)CC 215323772 573716705 /nfs/dbraw/zinc/71/67/05/573716705.db2.gz FDHIGJIKGVNMBL-ATJFRQLMSA-N 0 0 170.252 2.542 10 0 AFAERN CC1=C[C@@H](C)C[C@@H](C)C(=O)CC1 238493971 573716755 /nfs/dbraw/zinc/71/67/55/573716755.db2.gz XXGIVBYYPZBERA-NXEZZACHSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1nc(C(F)F)c(F)cc1F 238493982 573716952 /nfs/dbraw/zinc/71/69/52/573716952.db2.gz AWBPHDINEXSXJJ-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN CC1(C)Cc2ccsc2C1=O 223296617 573716990 /nfs/dbraw/zinc/71/69/90/573716990.db2.gz GFDJBFBXXGELMO-UHFFFAOYSA-N 0 0 166.245 2.513 10 0 AFAERN C[C@H]1SCCC[C@]1(O)C(C)(C)C 86968054 573717006 /nfs/dbraw/zinc/71/70/06/573717006.db2.gz NEBSQYAIVFOMTD-PSASIEDQSA-N 0 0 188.336 2.679 10 0 AFAERN C[C@@H](F)c1c(F)cccc1C1(O)CC1 258098361 573717035 /nfs/dbraw/zinc/71/70/35/573717035.db2.gz OLYPCWHLWLMNPK-SSDOTTSWSA-N 0 0 198.212 2.838 10 0 AFAERN CCc1ccc(C(C)(C)O)cc1C 258097468 573717089 /nfs/dbraw/zinc/71/70/89/573717089.db2.gz XJBHTKZVIDBSGC-UHFFFAOYSA-N 0 0 178.275 2.785 10 0 AFAERN Cc1nc(C(F)F)c(Cl)cc1O 238493534 573717095 /nfs/dbraw/zinc/71/70/95/573717095.db2.gz CSWHLGYQFZSRJG-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN C[C@@]1(CO)C[C@H]1CC1CCCC1 238494421 573717132 /nfs/dbraw/zinc/71/71/32/573717132.db2.gz BZBASHGMCWZPNX-MNOVXSKESA-N 0 0 168.280 2.585 10 0 AFAERN C=CC1=C[C@H]2CCC(=O)C[C@@H]2CC1 223300590 573717177 /nfs/dbraw/zinc/71/71/77/573717177.db2.gz SYTVHJAURQCPCY-MNOVXSKESA-N 0 0 176.259 2.878 10 0 AFAERN C[C@H]1SCCC[C@@]1(O)C(C)(C)C 86968051 573717329 /nfs/dbraw/zinc/71/73/29/573717329.db2.gz NEBSQYAIVFOMTD-SCZZXKLOSA-N 0 0 188.336 2.679 10 0 AFAERN C/C1=C/CCCCCC(=O)C1 197522638 573717330 /nfs/dbraw/zinc/71/73/30/573717330.db2.gz KUIYCTKUXPVUPT-TWGQIWQCSA-N 0 0 152.237 2.856 10 0 AFAERN CC(C)=C[C@]1(O)CCCS[C@H]1C 86968621 573717484 /nfs/dbraw/zinc/71/74/84/573717484.db2.gz UXHZLAVFYHJMRF-VHSXEESVSA-N 0 0 186.320 2.599 10 0 AFAERN C=CC1=CCC[C@@]2(C)C(=O)CC[C@H]12 223300223 573717500 /nfs/dbraw/zinc/71/75/00/573717500.db2.gz AXVGRCLQFCQNMT-ZYHUDNBSSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1oc2c(C)c(N)ccc2c1C 238494097 573717654 /nfs/dbraw/zinc/71/76/54/573717654.db2.gz LUJMOCQSCGGZNJ-UHFFFAOYSA-N 0 0 175.231 2.940 10 0 AFAERN C[C@H](F)c1c(F)cccc1C1(O)CC1 258098364 573717690 /nfs/dbraw/zinc/71/76/90/573717690.db2.gz OLYPCWHLWLMNPK-ZETCQYMHSA-N 0 0 198.212 2.838 10 0 AFAERN COCCCCNc1ccsc1 130867865 573717713 /nfs/dbraw/zinc/71/77/13/573717713.db2.gz YVQUTIUIHPXISF-UHFFFAOYSA-N 0 0 185.292 2.587 10 0 AFAERN Cc1cccc(C(=O)C(C)C)c1F 75854488 573717728 /nfs/dbraw/zinc/71/77/28/573717728.db2.gz UDRHGOZXEPIRMS-UHFFFAOYSA-N 0 0 180.222 2.973 10 0 AFAERN CSc1ccc(C[C@@H](C)O)c(C)c1 258098659 573717869 /nfs/dbraw/zinc/71/78/69/573717869.db2.gz OQVDJDYVDRNCBE-SECBINFHSA-N 0 0 196.315 2.640 10 0 AFAERN CNc1ccnc2[nH]c3ccccc3c12 238320965 573717930 /nfs/dbraw/zinc/71/79/30/573717930.db2.gz WEPBGZAWPRNJBH-UHFFFAOYSA-N 0 0 197.241 2.758 10 0 AFAERN Cc1ncccc1[C@@H]1CCCCC1=O 238494912 573717959 /nfs/dbraw/zinc/71/79/59/573717959.db2.gz NHGWJHRKRSLWAB-NSHDSACASA-N 0 0 189.258 2.617 10 0 AFAERN Cc1ncccc1[C@@H]1CCCC(=O)C1 238494857 573717965 /nfs/dbraw/zinc/71/79/65/573717965.db2.gz ZBLXAPWKBHQCHD-SNVBAGLBSA-N 0 0 189.258 2.617 10 0 AFAERN CCCCC[C@@H]1CC[C@H](CO)CC1=O 215322502 573718020 /nfs/dbraw/zinc/71/80/20/573718020.db2.gz NXZNSVHDGGHFAX-WDEREUQCSA-N 0 0 198.306 2.544 10 0 AFAERN Cc1ccc(F)c2cnc(Cl)nc12 238494920 573718037 /nfs/dbraw/zinc/71/80/37/573718037.db2.gz DFJRCOAFEAZVBP-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN CCCCC[C@H]1CC[C@@H](CO)CC1=O 215322638 573718079 /nfs/dbraw/zinc/71/80/79/573718079.db2.gz NXZNSVHDGGHFAX-MNOVXSKESA-N 0 0 198.306 2.544 10 0 AFAERN Cc1ccc(F)c2cnsc12 238494989 573718105 /nfs/dbraw/zinc/71/81/05/573718105.db2.gz ATSXSWURBXHXTD-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN C=C(Cl)/C(C)=C/Cl 238027466 573718140 /nfs/dbraw/zinc/71/81/40/573718140.db2.gz SJIQTXHYRAIVEA-ONEGZZNKSA-N 0 0 137.009 2.882 10 0 AFAERN CC(C)=C=CC=C=CC[C@@H](C)O 197525791 573718163 /nfs/dbraw/zinc/71/81/63/573718163.db2.gz UZZZLFRYJVNFQU-JDLXGLENSA-N 0 0 164.248 2.590 10 0 AFAERN CCc1oc(=O)[nH]c1C1CCCCC1 257856877 573718588 /nfs/dbraw/zinc/71/85/88/573718588.db2.gz QCUQJIDKQZTHPT-UHFFFAOYSA-N 0 0 195.262 2.990 10 0 AFAERN CCCC[C@H]1C=CC[C@@H]1CCO 215323269 573718312 /nfs/dbraw/zinc/71/83/12/573718312.db2.gz PGPZODGFBHQWHO-WDEREUQCSA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)[C@@]12CC(=O)C(C)(C)[C@@H]1C2 223310801 573718334 /nfs/dbraw/zinc/71/83/34/573718334.db2.gz GVLKANPTYNHFPR-GZMMTYOYSA-N 0 0 166.264 2.648 10 0 AFAERN O[C@H](c1ccco1)c1ccoc1Cl 236580233 573718357 /nfs/dbraw/zinc/71/83/57/573718357.db2.gz JOKWSECVVWZSEU-QMMMGPOBSA-N 0 0 198.605 2.608 10 0 AFAERN Cc1ccc2c(C)c(C[NH3+])[nH]c2c1C 83966174 573718362 /nfs/dbraw/zinc/71/83/62/573718362.db2.gz HNUURYIVUHJXJA-UHFFFAOYSA-N 0 0 188.274 2.552 10 0 AFAERN CCCC[C@]1(O)CCCS[C@H]1C 86947909 573718568 /nfs/dbraw/zinc/71/85/68/573718568.db2.gz FVBIMDZOLFQVPW-UWVGGRQHSA-N 0 0 188.336 2.823 10 0 AFAERN CC(=O)C(F)(F)Cc1ccccc1C 257857118 573718652 /nfs/dbraw/zinc/71/86/52/573718652.db2.gz NVNANPAUGFFMDM-UHFFFAOYSA-N 0 0 198.212 2.762 10 0 AFAERN C[C@H](O)c1c(F)cc2occc2c1F 258098558 573718774 /nfs/dbraw/zinc/71/87/74/573718774.db2.gz OPWMZTTUIPPEAJ-YFKPBYRVSA-N 0 0 198.168 2.764 10 0 AFAERN Cc1ccc(Cc2ccc(O)cc2)o1 238494158 573720348 /nfs/dbraw/zinc/72/03/48/573720348.db2.gz PIAIYXKVEYUFPQ-UHFFFAOYSA-N 0 0 188.226 2.884 10 0 AFAERN O=c1ccoc2c(Cl)cc(F)cc12 75881966 573719573 /nfs/dbraw/zinc/71/95/73/573719573.db2.gz KKSVQZVPRWWHFW-UHFFFAOYSA-N 0 0 198.580 2.586 10 0 AFAERN O=C1CC[C@@H]2CC3=C(CCC3)[C@H]2C1 223300411 573719613 /nfs/dbraw/zinc/71/96/13/573719613.db2.gz RDGAVLFEBIVVDP-SKDRFNHKSA-N 0 0 176.259 2.856 10 0 AFAERN Cc1c(F)cccc1[C@@H]1CCC(=O)O1 238493895 573719625 /nfs/dbraw/zinc/71/96/25/573719625.db2.gz KBZQTULDBLDELM-JTQLQIEISA-N 0 0 194.205 2.512 10 0 AFAERN C=CC1=CCC[C@]2(C)C(=O)CC[C@H]12 223300287 573719667 /nfs/dbraw/zinc/71/96/67/573719667.db2.gz AXVGRCLQFCQNMT-PWSUYJOCSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1c(F)cccc1[C@H]1CCCC1=O 238494810 573719678 /nfs/dbraw/zinc/71/96/78/573719678.db2.gz UDROHLMMDUAUER-SNVBAGLBSA-N 0 0 192.233 2.971 10 0 AFAERN Cc1c(F)cccc1[C@@H]1CCC(=O)C1 238493846 573719704 /nfs/dbraw/zinc/71/97/04/573719704.db2.gz SEIJDVVGAJOZHG-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN CCC(CC)[C@H](O)c1ccc(F)nc1 686124678 573719775 /nfs/dbraw/zinc/71/97/75/573719775.db2.gz DXTLJGWBPYURHX-NSHDSACASA-N 0 0 197.253 2.690 10 0 AFAERN O=C1CCC[C@H](C2CCC2)C1 108282327 573719786 /nfs/dbraw/zinc/71/97/86/573719786.db2.gz IETFQAHWFWZGCT-VIFPVBQESA-N 0 0 152.237 2.546 10 0 AFAERN c1ccc2c(c1)NCc1cnccc1-2 197523033 573719810 /nfs/dbraw/zinc/71/98/10/573719810.db2.gz PWFJFCGRWLVBJE-UHFFFAOYSA-N 0 0 182.226 2.674 10 0 AFAERN CC(C)[C@]1(O)CSCCC1(C)C 86972926 573719900 /nfs/dbraw/zinc/71/99/00/573719900.db2.gz QXVCUHPTIDCTBF-SNVBAGLBSA-N 0 0 188.336 2.537 10 0 AFAERN Cc1ccc(Nc2ccncn2)cc1 223286392 573719992 /nfs/dbraw/zinc/71/99/92/573719992.db2.gz KEYBZXPEBAZWJG-UHFFFAOYSA-N 0 0 185.230 2.529 10 0 AFAERN O=c1ccc2c(Cl)ccc(F)c2o1 75882733 573719995 /nfs/dbraw/zinc/71/99/95/573719995.db2.gz OFLWRQSYPBXPQS-UHFFFAOYSA-N 0 0 198.580 2.586 10 0 AFAERN Cc1c(F)cccc1[C@H]1CCC(=O)C1 238494738 573720135 /nfs/dbraw/zinc/72/01/35/573720135.db2.gz SEIJDVVGAJOZHG-VIFPVBQESA-N 0 0 192.233 2.971 10 0 AFAERN CC(C)[C@]1(O)CSCC(C)(C)C1 86977877 573720415 /nfs/dbraw/zinc/72/04/15/573720415.db2.gz SQXJMRUXWGOMEI-SNVBAGLBSA-N 0 0 188.336 2.537 10 0 AFAERN Cc1ccc(F)c2c(C)cc(=O)oc12 75882670 573720424 /nfs/dbraw/zinc/72/04/24/573720424.db2.gz RBLOZFZTDRBWRJ-UHFFFAOYSA-N 0 0 192.189 2.549 10 0 AFAERN C/C(CO)=C(/C)C1CCCCC1 238042024 573720457 /nfs/dbraw/zinc/72/04/57/573720457.db2.gz KXFLXHARLATRNQ-MDZDMXLPSA-N 0 0 168.280 2.895 10 0 AFAERN CC(C)[C@@]1(O)CSCCC1(C)C 86972928 573720499 /nfs/dbraw/zinc/72/04/99/573720499.db2.gz QXVCUHPTIDCTBF-JTQLQIEISA-N 0 0 188.336 2.537 10 0 AFAERN C1=C[C@@H]2Oc3ccccc3N[C@@H]2CC1 238043285 573720706 /nfs/dbraw/zinc/72/07/06/573720706.db2.gz HDVUITPGLPNTTA-PWSUYJOCSA-N 0 0 187.242 2.578 10 0 AFAERN Cc1cc(OC2CC2)c(C)cc1F 238496201 573721723 /nfs/dbraw/zinc/72/17/23/573721723.db2.gz PCUIGJDLGALAMS-UHFFFAOYSA-N 0 0 180.222 2.984 10 0 AFAERN Cc1cc(-c2ccc(N)cc2)c(C)[nH]1 83965688 573721734 /nfs/dbraw/zinc/72/17/34/573721734.db2.gz BANPZHGZBMZARR-UHFFFAOYSA-N 0 0 186.258 2.881 10 0 AFAERN Cc1cc(O)ccc1[C@H]1CCCC1=O 238485692 573721768 /nfs/dbraw/zinc/72/17/68/573721768.db2.gz RATOHVJXMKNHIP-LLVKDONJSA-N 0 0 190.242 2.537 10 0 AFAERN CCC[C@]1(O)CSCC(C)(C)C1 86977808 573721811 /nfs/dbraw/zinc/72/18/11/573721811.db2.gz SXWMMZHWJIPQQJ-SNVBAGLBSA-N 0 0 188.336 2.681 10 0 AFAERN C/C(CO)=C(/C)C[C@@H]1C=CCC1 238042261 573721844 /nfs/dbraw/zinc/72/18/44/573721844.db2.gz LHRJIWFWAQXVOT-PBQZMEPESA-N 0 0 166.264 2.671 10 0 AFAERN O[C@H]1CCCC[C@@H]1C/C=C/Cl 236562242 573721878 /nfs/dbraw/zinc/72/18/78/573721878.db2.gz FXYQKKLIYQPQJI-UEXUUTQISA-N 0 0 174.671 2.680 10 0 AFAERN Cc1c(F)cccc1-c1nncs1 238495408 573721953 /nfs/dbraw/zinc/72/19/53/573721953.db2.gz IRUYCSQEAKBEFZ-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN NC(=O)C1CCC2(CCCCC2)CC1 143023305 573721954 /nfs/dbraw/zinc/72/19/54/573721954.db2.gz PSMOWSGELUKRKQ-UHFFFAOYSA-N 0 0 195.306 2.612 10 0 AFAERN O[C@H](c1ccoc1)c1ccc(Cl)o1 236584417 573721963 /nfs/dbraw/zinc/72/19/63/573721963.db2.gz AJLKMIWTMLIZCU-SECBINFHSA-N 0 0 198.605 2.608 10 0 AFAERN CC(C)c1ccc2ncncc2c1 143018515 573723219 /nfs/dbraw/zinc/72/32/19/573723219.db2.gz UPORQSUYAKXBHO-UHFFFAOYSA-N 0 0 172.231 2.753 10 0 AFAERN C/C=C/[C@@H]1C[C@H](/C=C/C)N=N1 238042493 573721987 /nfs/dbraw/zinc/72/19/87/573721987.db2.gz YXEMIGMXJXXMEE-BTJINBLDSA-N 0 0 150.225 2.732 10 0 AFAERN CC(C)Cc1noc2c(N)cccc12 257855902 573722045 /nfs/dbraw/zinc/72/20/45/573722045.db2.gz PXLWNTZARWTCMT-UHFFFAOYSA-N 0 0 190.246 2.609 10 0 AFAERN C[C@H]1C[C@@H](C)P1c1ccccc1N 238495759 573722116 /nfs/dbraw/zinc/72/21/16/573722116.db2.gz BFOIRXUAYMXIKA-PHXKMMTBSA-N 0 0 193.230 2.557 10 0 AFAERN CC[C@H](C)c1ccc(F)c(N)c1 258512595 573722117 /nfs/dbraw/zinc/72/21/17/573722117.db2.gz LKYVUHSWCKTTTG-ZETCQYMHSA-N 0 0 167.227 2.921 10 0 AFAERN C[C@@]1(O)CCc2cccc(Cl)c2C1 238496384 573722122 /nfs/dbraw/zinc/72/21/22/573722122.db2.gz RJWQEANWGJJXNN-LLVKDONJSA-N 0 0 196.677 2.580 10 0 AFAERN C/C(CO)=C(/Cl)c1ccccc1 238042390 573722132 /nfs/dbraw/zinc/72/21/32/573722132.db2.gz NWBHWMZVHIQCIN-NTMALXAHSA-N 0 0 182.650 2.649 10 0 AFAERN C/C(=C/C1(c2ccccc2)CC1)CO 238042776 573722155 /nfs/dbraw/zinc/72/21/55/573722155.db2.gz YIRBVDUSWVASQM-LUAWRHEFSA-N 0 0 188.270 2.657 10 0 AFAERN Cc1oc2ccc(Cl)cc2c1CO 238495340 573722265 /nfs/dbraw/zinc/72/22/65/573722265.db2.gz FZUXOCKXOJSZHV-UHFFFAOYSA-N 0 0 196.633 2.887 10 0 AFAERN CCSCc1ccc(N)c(OC)c1 258103983 573722294 /nfs/dbraw/zinc/72/22/94/573722294.db2.gz KUFMLZGYEASPIF-UHFFFAOYSA-N 0 0 197.303 2.531 10 0 AFAERN O=C1c2ccsc2CCC1(F)F 143006946 573722320 /nfs/dbraw/zinc/72/23/20/573722320.db2.gz PPFYNTSCTLLQAI-UHFFFAOYSA-N 0 0 188.198 2.512 10 0 AFAERN C[C@@H]1CCC(=O)c2ccc(F)cc2N1 257855873 573722380 /nfs/dbraw/zinc/72/23/80/573722380.db2.gz PWLPJVKCCAYMIJ-SSDOTTSWSA-N 0 0 193.221 2.603 10 0 AFAERN Cc1ccccc1[C@H]1CCC=C[C@H]1O 238495353 573722600 /nfs/dbraw/zinc/72/26/00/573722600.db2.gz QJSLGTGVLPICGS-CHWSQXEVSA-N 0 0 188.270 2.790 10 0 AFAERN CC[C@@H](C)c1ccc(F)c(N)c1 258512594 573722696 /nfs/dbraw/zinc/72/26/96/573722696.db2.gz LKYVUHSWCKTTTG-SSDOTTSWSA-N 0 0 167.227 2.921 10 0 AFAERN Cc1cc(Cl)c(C(F)F)c(=O)[nH]1 238495229 573722813 /nfs/dbraw/zinc/72/28/13/573722813.db2.gz XJEYDZHMYIXIDC-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1ncccc1[C@H]1CCCCC1=O 238495795 573722895 /nfs/dbraw/zinc/72/28/95/573722895.db2.gz NHGWJHRKRSLWAB-LLVKDONJSA-N 0 0 189.258 2.617 10 0 AFAERN Cc1nc2cc(Cl)cc(F)c2o1 238496239 573722903 /nfs/dbraw/zinc/72/29/03/573722903.db2.gz OGSNDDCHWXNWIA-UHFFFAOYSA-N 0 0 185.585 2.929 10 0 AFAERN CC(C)OCc1cccc2c1CCN2 258105081 573722947 /nfs/dbraw/zinc/72/29/47/573722947.db2.gz KWXFYHHYPGXATK-UHFFFAOYSA-N 0 0 191.274 2.580 10 0 AFAERN O[C@@]1(CCC2CC2)C=CCCC1 236586241 573723066 /nfs/dbraw/zinc/72/30/66/573723066.db2.gz ICNSXERPAGCGJX-NSHDSACASA-N 0 0 166.264 2.648 10 0 AFAERN C1=C[C@H]2Oc3ccccc3N[C@@H]2CC1 238043262 573723093 /nfs/dbraw/zinc/72/30/93/573723093.db2.gz HDVUITPGLPNTTA-ZYHUDNBSSA-N 0 0 187.242 2.578 10 0 AFAERN C/C(CO)=C(/C)C[C@H]1C=CCC1 238042164 573723125 /nfs/dbraw/zinc/72/31/25/573723125.db2.gz LHRJIWFWAQXVOT-USKTWTLRSA-N 0 0 166.264 2.671 10 0 AFAERN c1cc2c(c(C3CC3)c1)NCC2 238046601 573724241 /nfs/dbraw/zinc/72/42/41/573724241.db2.gz QWWRHGQCTNQIRX-UHFFFAOYSA-N 0 0 159.232 2.532 10 0 AFAERN C/C(Cl)=C(/CO)c1ccccc1 238047435 573724256 /nfs/dbraw/zinc/72/42/56/573724256.db2.gz ATRCETBMDIAICU-CSKARUKUSA-N 0 0 182.650 2.649 10 0 AFAERN Cc1nc2cc(Cl)c(F)cc2o1 238495922 573724413 /nfs/dbraw/zinc/72/44/13/573724413.db2.gz ZUXJQVFBEDQQLJ-UHFFFAOYSA-N 0 0 185.585 2.929 10 0 AFAERN C/C=C/[C@@H]1[C@H]2CCCC(=O)[C@@]12C 238046744 573724440 /nfs/dbraw/zinc/72/44/40/573724440.db2.gz RAMUQAHJNIACCV-FLIQRRGCSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccc(F)c2nc(Cl)ncc12 238495187 573724507 /nfs/dbraw/zinc/72/45/07/573724507.db2.gz OJZMMMNOKPYAKX-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN CC(=O)C(C)(C)C1CC=CC1 238047643 573724538 /nfs/dbraw/zinc/72/45/38/573724538.db2.gz IBCIZLZBSJUXSJ-UHFFFAOYSA-N 0 0 152.237 2.568 10 0 AFAERN CCC(CC)[C@@H](O)c1ccc(F)nc1 686124677 573724552 /nfs/dbraw/zinc/72/45/52/573724552.db2.gz DXTLJGWBPYURHX-LLVKDONJSA-N 0 0 197.253 2.690 10 0 AFAERN CC(=O)CC1=C[C@@H](C)CCC1 238485616 573724637 /nfs/dbraw/zinc/72/46/37/573724637.db2.gz FDIYJJHOYLCYCV-QMMMGPOBSA-N 0 0 152.237 2.712 10 0 AFAERN CC/C=C(\C)C(=O)OC[C@H](F)CC 308425998 573727116 /nfs/dbraw/zinc/72/71/16/573727116.db2.gz RFZDWBHRSYJBDJ-BNICOGTQSA-N 0 0 188.242 2.634 10 0 AFAERN Cc1ccc2c(C=O)occc1-2 238495943 573724738 /nfs/dbraw/zinc/72/47/38/573724738.db2.gz FOLPYNXZKAQVEF-UHFFFAOYSA-N 0 0 160.172 2.505 10 0 AFAERN C/C=C/[C@H](O)[C@@H](C)c1ccccc1 238057266 573727379 /nfs/dbraw/zinc/72/73/79/573727379.db2.gz NYWZWOJLJMVKIE-LMQNWZAKSA-N 0 0 176.259 2.727 10 0 AFAERN C[C@H]1CC2=C(CCCC2)C[C@H]1O 238487845 573727542 /nfs/dbraw/zinc/72/75/42/573727542.db2.gz NXJKUZSZHVWATK-GZMMTYOYSA-N 0 0 166.264 2.648 10 0 AFAERN CCC1(C(=O)OC2CCC2)CCC1 308425981 573725659 /nfs/dbraw/zinc/72/56/59/573725659.db2.gz REXCUFHGUXFYKK-UHFFFAOYSA-N 0 0 182.263 2.662 10 0 AFAERN CCNc1ccc2ccccc2c1N 143012125 573725669 /nfs/dbraw/zinc/72/56/69/573725669.db2.gz LVAQMYPWDASXDO-UHFFFAOYSA-N 0 0 186.258 2.854 10 0 AFAERN Cc1cc(Cl)c(C(F)F)[nH]c1=O 238495790 573725680 /nfs/dbraw/zinc/72/56/80/573725680.db2.gz YIWOMWFZBRKTTG-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1cccc2c(C3CC3)n[nH]c12 75883981 573725681 /nfs/dbraw/zinc/72/56/81/573725681.db2.gz LNMUJIBQWLAFTN-UHFFFAOYSA-N 0 0 172.231 2.749 10 0 AFAERN O=Cc1cc2cc(Cl)cc(F)c2[nH]1 257857794 573725720 /nfs/dbraw/zinc/72/57/20/573725720.db2.gz QIFCESYYLNHTSB-UHFFFAOYSA-N 0 0 197.596 2.773 10 0 AFAERN CC/C=C\C(=O)OCCCCCF 308426008 573725825 /nfs/dbraw/zinc/72/58/25/573725825.db2.gz RGLAFUHAGGEFEJ-CLTKARDFSA-N 0 0 188.242 2.636 10 0 AFAERN CC(=O)c1cccc2[nH]cc(C)c12 142941988 573725837 /nfs/dbraw/zinc/72/58/37/573725837.db2.gz RGVIGNNTJRUOGZ-UHFFFAOYSA-N 0 0 173.215 2.679 10 0 AFAERN C[C@H](CO)c1cccc2c1CCCC2 258106397 573725906 /nfs/dbraw/zinc/72/59/06/573725906.db2.gz PGUOKFJRLYEXOJ-SNVBAGLBSA-N 0 0 190.286 2.661 10 0 AFAERN C/C=C/[C@H](O)[C@H]1C=Cc2ccccc21 238059427 573725971 /nfs/dbraw/zinc/72/59/71/573725971.db2.gz MOLYFNKDKSIYJH-USIDBCOTSA-N 0 0 186.254 2.734 10 0 AFAERN C1=C(c2cc3nccnc3[nH]2)CCC1 238057284 573726071 /nfs/dbraw/zinc/72/60/71/573726071.db2.gz DGIYCVYZQCDOKJ-UHFFFAOYSA-N 0 0 185.230 2.525 10 0 AFAERN CC(C)(F)Cc1ccccc1CCO 258108512 573727652 /nfs/dbraw/zinc/72/76/52/573727652.db2.gz PIEOOWIYAWSJIZ-UHFFFAOYSA-N 0 0 196.265 2.512 10 0 AFAERN C[C@H]1CC2=C(CO)CCC[C@@H]2C1 238485904 573726295 /nfs/dbraw/zinc/72/62/95/573726295.db2.gz IZMPNSCGLMFHPQ-RKDXNWHRSA-N 0 0 166.264 2.505 10 0 AFAERN C[C@H]1CC[C@@H]1C(=O)Nc1ccccc1 238485876 573726399 /nfs/dbraw/zinc/72/63/99/573726399.db2.gz IKRSPOCEEQAIMO-ONGXEEELSA-N 0 0 189.258 2.671 10 0 AFAERN F[C@@H](c1ccc(Cl)cc1)[C@@H]1CC[NH2+]1 257851467 573726541 /nfs/dbraw/zinc/72/65/41/573726541.db2.gz MTKDMGHMIZRQBL-UWVGGRQHSA-N 0 0 199.656 2.713 10 0 AFAERN Cc1nc(Cl)c2n1[C@@H](C)CCC2 258106181 573726599 /nfs/dbraw/zinc/72/65/99/573726599.db2.gz FCHVZZILTGSTCJ-LURJTMIESA-N 0 0 184.670 2.742 10 0 AFAERN Cc1cc(CCCO)c(C)c(C)c1C 258108570 573726695 /nfs/dbraw/zinc/72/66/95/573726695.db2.gz PIQYZTXERFGHNA-UHFFFAOYSA-N 0 0 192.302 2.845 10 0 AFAERN C[C@H]1Cc2ccccc2[C@H](C)C1=O 238485815 573726785 /nfs/dbraw/zinc/72/67/85/573726785.db2.gz MNZQTUUQGBPSHF-IUCAKERBSA-N 0 0 174.243 2.551 10 0 AFAERN CC(C)c1ccc([C@@](C)(F)CO)cc1 257858253 573726867 /nfs/dbraw/zinc/72/68/67/573726867.db2.gz UMQUDUWUBQUBDD-LBPRGKRZSA-N 0 0 196.265 2.987 10 0 AFAERN CC/C=C(/C)C(=O)OC[C@H](F)CC 308425999 573726909 /nfs/dbraw/zinc/72/69/09/573726909.db2.gz RFZDWBHRSYJBDJ-JGAIRUGNSA-N 0 0 188.242 2.634 10 0 AFAERN C/C=C(/C=C/CO)c1ccccc1 223334530 573726920 /nfs/dbraw/zinc/72/69/20/573726920.db2.gz XFQVOFXECSHKMT-AITUGUGASA-N 0 0 174.243 2.638 10 0 AFAERN F[C@H](c1ccc(Cl)cc1)[C@H]1CC[NH2+]1 257851465 573727693 /nfs/dbraw/zinc/72/76/93/573727693.db2.gz MTKDMGHMIZRQBL-NXEZZACHSA-N 0 0 199.656 2.713 10 0 AFAERN Cc1cn(C2CC2)c(=O)c2ccccc12 258107427 573726940 /nfs/dbraw/zinc/72/69/40/573726940.db2.gz OJWWJUQXZMVMMN-UHFFFAOYSA-N 0 0 199.253 2.645 10 0 AFAERN CSCc1cc2ccc(N)cc2[nH]1 258108689 573727000 /nfs/dbraw/zinc/72/70/00/573727000.db2.gz SRUXSNRUCDZFSV-UHFFFAOYSA-N 0 0 192.287 2.613 10 0 AFAERN Cc1ccc2c(c1)OCCCCN2 258109124 573727021 /nfs/dbraw/zinc/72/70/21/573727021.db2.gz FICXGXHYRYDDPP-UHFFFAOYSA-N 0 0 177.247 2.580 10 0 AFAERN Cc1c(O)cnc2cc(Cl)ccc12 257857644 573727162 /nfs/dbraw/zinc/72/71/62/573727162.db2.gz QFJAFRGFMQKRKA-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Nc1c[nH]cc1-c1ccc(Cl)cc1 258107978 573727169 /nfs/dbraw/zinc/72/71/69/573727169.db2.gz LDPCXZQMYKJNCT-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN Cc1ccc(Cl)cc1-n1cccn1 238488267 573727236 /nfs/dbraw/zinc/72/72/36/573727236.db2.gz PGZLDAKQMJTHSP-UHFFFAOYSA-N 0 0 192.649 2.834 10 0 AFAERN C[C@H]1Cc2ccc(C(C)(C)O)cc2C1 258106328 573727514 /nfs/dbraw/zinc/72/75/14/573727514.db2.gz PEVIAHHPCKDVKM-VIFPVBQESA-N 0 0 190.286 2.649 10 0 AFAERN CC(=O)C1(C)CCCCCC1 238056220 573727610 /nfs/dbraw/zinc/72/76/10/573727610.db2.gz LDISPRCFDKPWTL-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN Cc1ccc(O)c(C)c1C1CC1 108285034 573730276 /nfs/dbraw/zinc/73/02/76/573730276.db2.gz SPGHKUQGNKCOEA-UHFFFAOYSA-N 0 0 162.232 2.886 10 0 AFAERN C/C=C/[C@H](O)[C@H](C)c1ccccc1 238058879 573728521 /nfs/dbraw/zinc/72/85/21/573728521.db2.gz NYWZWOJLJMVKIE-ONRFKXHZSA-N 0 0 176.259 2.727 10 0 AFAERN Oc1cccc2c(Cl)c[nH]c12 108286908 573728671 /nfs/dbraw/zinc/72/86/71/573728671.db2.gz QTYYIFVOIXHUJS-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN CC(C)(C)c1onc2cc(N)ccc12 257852571 573728732 /nfs/dbraw/zinc/72/87/32/573728732.db2.gz PGNNATSTUDRFBL-UHFFFAOYSA-N 0 0 190.246 2.708 10 0 AFAERN COc1cc(C)cc(SC)c1 143079127 573728761 /nfs/dbraw/zinc/72/87/61/573728761.db2.gz VLUBHKBJGYQQHF-UHFFFAOYSA-N 0 0 168.261 2.726 10 0 AFAERN C[C@H]1CC2=CC=CC=C[C@@]2(C)C1=O 238488116 573728789 /nfs/dbraw/zinc/72/87/89/573728789.db2.gz ABMVSPSZFZIVQQ-JOYOIKCWSA-N 0 0 174.243 2.654 10 0 AFAERN c1cc2cc(C3CCC3)cnc2[nH]1 238056564 573728809 /nfs/dbraw/zinc/72/88/09/573728809.db2.gz WPNLOTTYJUIWSL-UHFFFAOYSA-N 0 0 172.231 2.830 10 0 AFAERN O=C1CCCc2cccc(Cl)c2O1 258107492 573728828 /nfs/dbraw/zinc/72/88/28/573728828.db2.gz OKTXWBIZIFQMEC-UHFFFAOYSA-N 0 0 196.633 2.582 10 0 AFAERN C[C@@H]1Cc2ccc(C(C)(C)O)cc2C1 258106325 573728866 /nfs/dbraw/zinc/72/88/66/573728866.db2.gz PEVIAHHPCKDVKM-SECBINFHSA-N 0 0 190.286 2.649 10 0 AFAERN Oc1cccc2cc(Cl)[nH]c12 108286880 573728876 /nfs/dbraw/zinc/72/88/76/573728876.db2.gz CNRVGXMJAQERTJ-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN Cc1nccc(C(F)F)c1CF 238488363 573728988 /nfs/dbraw/zinc/72/89/88/573728988.db2.gz FTBXVGJUKAHIBR-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CC(C)Sc1ccc([C@@H](C)O)cn1 124973365 573729001 /nfs/dbraw/zinc/72/90/01/573729001.db2.gz WDMFSMMAPGHAEO-MRVPVSSYSA-N 0 0 197.303 2.635 10 0 AFAERN Cc1nc(Cl)c2n1[C@H](C)CCC2 258106184 573729006 /nfs/dbraw/zinc/72/90/06/573729006.db2.gz FCHVZZILTGSTCJ-ZCFIWIBFSA-N 0 0 184.670 2.742 10 0 AFAERN Cc1ccc(N)c(C)c1C1CC1 108284935 573729029 /nfs/dbraw/zinc/72/90/29/573729029.db2.gz VMXNCMNJUNFYCA-UHFFFAOYSA-N 0 0 161.248 2.763 10 0 AFAERN C[C@H]1CC2=C(CCCCC2)[C@@H]1O 238487906 573729053 /nfs/dbraw/zinc/72/90/53/573729053.db2.gz ILELJPXSPLIERO-GZMMTYOYSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1cc(C)c([C@H]2CCCC(=O)C2)[nH]1 238487760 573729450 /nfs/dbraw/zinc/72/94/50/573729450.db2.gz UXFVERMOOLUTQT-JTQLQIEISA-N 0 0 191.274 2.858 10 0 AFAERN CC[C@@H]1CCCCN1C(=O)OC(C)C 126946677 573729535 /nfs/dbraw/zinc/72/95/35/573729535.db2.gz HIXKKJMNHQTBGX-SNVBAGLBSA-N 0 0 199.294 2.796 10 0 AFAERN CCCc1ccccc1[C@](C)(F)CO 257852928 573729558 /nfs/dbraw/zinc/72/95/58/573729558.db2.gz SMFOBSYMBTXBON-GFCCVEGCSA-N 0 0 196.265 2.816 10 0 AFAERN C[C@H]1Cc2cccc(O)c2NC1(C)C 258108114 573729586 /nfs/dbraw/zinc/72/95/86/573729586.db2.gz IVMBJKSEQZKXME-QMMMGPOBSA-N 0 0 191.274 2.775 10 0 AFAERN C/C=C/[C@H](O)/C=C/C1=CCCCC1 238060059 573729590 /nfs/dbraw/zinc/72/95/90/573729590.db2.gz TYAYCDJJTXDJGP-XOEQMNJPSA-N 0 0 178.275 2.980 10 0 AFAERN CCc1ccc(F)c(C(C)(C)O)c1 258108550 573729604 /nfs/dbraw/zinc/72/96/04/573729604.db2.gz PIJVJMFQQQDSKH-UHFFFAOYSA-N 0 0 182.238 2.616 10 0 AFAERN Cc1nc(N)oc1CCCC(C)C 258892862 573729609 /nfs/dbraw/zinc/72/96/09/573729609.db2.gz UIODZIQBIJNJRZ-UHFFFAOYSA-N 0 0 182.267 2.544 10 0 AFAERN C[C@H]1CC2=CC=CC=C[C@]2(C)C1=O 238488135 573729630 /nfs/dbraw/zinc/72/96/30/573729630.db2.gz ABMVSPSZFZIVQQ-CABZTGNLSA-N 0 0 174.243 2.654 10 0 AFAERN Nc1ccc2oc(Cl)cc2c1 108286891 573729641 /nfs/dbraw/zinc/72/96/41/573729641.db2.gz YQFVUFINVMRUCF-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN C/C=C/[C@H](O)c1ccccc1C 238060255 573729780 /nfs/dbraw/zinc/72/97/80/573729780.db2.gz JHBYDFHINRLCSG-GQOHGMTASA-N 0 0 162.232 2.605 10 0 AFAERN Cc1cc(C)c([C@H]2CCCCC2=O)[nH]1 238487801 573729783 /nfs/dbraw/zinc/72/97/83/573729783.db2.gz KMJLRVZQWKWFEO-JTQLQIEISA-N 0 0 191.274 2.858 10 0 AFAERN C/C=C/[C@H](O)c1c[nH]c2ccccc12 238060141 573729789 /nfs/dbraw/zinc/72/97/89/573729789.db2.gz MMDGUQDUMSNYQS-PWFBRDGFSA-N 0 0 187.242 2.777 10 0 AFAERN C/C=C(/C)CCC[C@@H](C)O 238059828 573729808 /nfs/dbraw/zinc/72/98/08/573729808.db2.gz BLLBSXUQSZMEKZ-USYJTPIQSA-N 0 0 142.242 2.504 10 0 AFAERN Oc1ccc2c(Cl)c[nH]c2c1 108286913 573729883 /nfs/dbraw/zinc/72/98/83/573729883.db2.gz HFPNJXTVWIEOKK-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN O=Cc1cccc2ccc(Cl)nc12 122373225 573729887 /nfs/dbraw/zinc/72/98/87/573729887.db2.gz DIQCISRJIRIAQI-UHFFFAOYSA-N 0 0 191.617 2.701 10 0 AFAERN Nc1cccc2cc(Cl)oc12 108286876 573729916 /nfs/dbraw/zinc/72/99/16/573729916.db2.gz UQDBVHNPYGYYLI-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN CC(C)Sc1ccc([C@H](C)O)cn1 124973591 573729943 /nfs/dbraw/zinc/72/99/43/573729943.db2.gz WDMFSMMAPGHAEO-QMMMGPOBSA-N 0 0 197.303 2.635 10 0 AFAERN Cc1cc(Cl)c(C)o1 238496460 573729965 /nfs/dbraw/zinc/72/99/65/573729965.db2.gz VHLSSURDDYLLAV-UHFFFAOYSA-N 0 0 130.574 2.550 10 0 AFAERN CC(=O)C12CCCC(CCC1)C2 238057954 573730015 /nfs/dbraw/zinc/73/00/15/573730015.db2.gz SSMPELKRYMWGNN-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CC(=O)CC[C@H](C)C(F)(F)F 108286994 573730018 /nfs/dbraw/zinc/73/00/18/573730018.db2.gz ZBURBOIRLCIXKW-YFKPBYRVSA-N 0 0 168.158 2.554 10 0 AFAERN CCc1ccc(C(C)C)cc1CO 258108014 573730035 /nfs/dbraw/zinc/73/00/35/573730035.db2.gz YRRUGXKAEWPLOO-UHFFFAOYSA-N 0 0 178.275 2.865 10 0 AFAERN Oc1cccc2[nH]c(Cl)cc12 108286904 573730316 /nfs/dbraw/zinc/73/03/16/573730316.db2.gz PZIVDPNXYKPMAC-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN Cc1cc(=O)[nH]c(Cl)c1C(F)F 238487895 573730158 /nfs/dbraw/zinc/73/01/58/573730158.db2.gz ZTPZLWKYMKODEG-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN C/C=C/[C@H](O)[C@@H]1C=Cc2ccccc21 238057862 573730211 /nfs/dbraw/zinc/73/02/11/573730211.db2.gz MOLYFNKDKSIYJH-MHDDQSTRSA-N 0 0 186.254 2.734 10 0 AFAERN Cc1nccc(C(F)F)c1C 238488107 573730215 /nfs/dbraw/zinc/73/02/15/573730215.db2.gz RQZPRGFNHYWNIV-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN COc1cccc(C(=S)SC)c1 144719969 573734154 /nfs/dbraw/zinc/73/41/54/573734154.db2.gz YYPKMZOKKBYHDL-UHFFFAOYSA-N 0 0 198.312 2.734 10 0 AFAERN Cc1ccc(-c2oncc2C=O)s1 258417765 573734176 /nfs/dbraw/zinc/73/41/76/573734176.db2.gz DPHSQTXRQOWZQU-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CCC[C@@H](C)[C@@H](NN)C1CCCCC1 126954608 573732705 /nfs/dbraw/zinc/73/27/05/573732705.db2.gz ANEQIDLRAGGQAE-ZYHUDNBSSA-N 0 0 198.354 2.835 10 0 AFAERN OCCC(F)(F)C1CCCCCC1 257852625 573732709 /nfs/dbraw/zinc/73/27/09/573732709.db2.gz PIEZPTRWJCHQHA-UHFFFAOYSA-N 0 0 192.249 2.975 10 0 AFAERN Cc1nsc2cc(Cl)c(N)cc12 83983745 573732761 /nfs/dbraw/zinc/73/27/61/573732761.db2.gz ZOYZJLBBHOZQTB-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN COCc1ccccc1OC(C)C 238330838 573732790 /nfs/dbraw/zinc/73/27/90/573732790.db2.gz NGUDEQQWJXMJSA-UHFFFAOYSA-N 0 0 180.247 2.620 10 0 AFAERN C/C=C/[C@H](C)[C@H]1CCC(=O)[C@@H]1C 238051371 573732812 /nfs/dbraw/zinc/73/28/12/573732812.db2.gz NMENAPSQVSYVHC-PGMPKUOGSA-N 0 0 166.264 2.814 10 0 AFAERN CC(=O)[C@@H]1CCc2ccc(C)cc21 108290850 573732836 /nfs/dbraw/zinc/73/28/36/573732836.db2.gz FRANWTAXMKSRJG-NSHDSACASA-N 0 0 174.243 2.614 10 0 AFAERN CC(C)SCc1ccc(N)cc1O 258110671 573732851 /nfs/dbraw/zinc/73/28/51/573732851.db2.gz LJBOPYHASISCIR-UHFFFAOYSA-N 0 0 197.303 2.616 10 0 AFAERN CC1=CC=C[C@]2(C)CCCC(=O)[C@@H]12 224628549 573732853 /nfs/dbraw/zinc/73/28/53/573732853.db2.gz XSJGOLQBWAIAIV-VXGBXAGGSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1cc(CO)cc2ccsc12 238489229 573732863 /nfs/dbraw/zinc/73/28/63/573732863.db2.gz DBSRHGZYFPTJDL-UHFFFAOYSA-N 0 0 178.256 2.702 10 0 AFAERN CSCC1(c2ccccc2O)CC1 258111981 573732880 /nfs/dbraw/zinc/73/28/80/573732880.db2.gz OUTVZMGIZPEUCR-UHFFFAOYSA-N 0 0 194.299 2.787 10 0 AFAERN Cc1[nH]c(C(C)(C)C)c(C)c1C=O 238488675 573732916 /nfs/dbraw/zinc/73/29/16/573732916.db2.gz WXAWCVSVIJYAFQ-UHFFFAOYSA-N 0 0 179.263 2.742 10 0 AFAERN CCC[C@H](C)[C@H](NN)C1CCCCC1 126954366 573732992 /nfs/dbraw/zinc/73/29/92/573732992.db2.gz ANEQIDLRAGGQAE-JQWIXIFHSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1nccc(CF)c1C(F)F 238489706 573733007 /nfs/dbraw/zinc/73/30/07/573733007.db2.gz JMAZFZHEQSVJOZ-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CCOc1ccc2c(c1N)CCCC2 144788952 573733016 /nfs/dbraw/zinc/73/30/16/573733016.db2.gz UHNXIQWPNXXHPZ-UHFFFAOYSA-N 0 0 191.274 2.546 10 0 AFAERN Cc1ccc2c(c1Cl)C(=O)CC2 238489625 573733085 /nfs/dbraw/zinc/73/30/85/573733085.db2.gz MMQLLRDIQFBFDB-UHFFFAOYSA-N 0 0 180.634 2.777 10 0 AFAERN CC(=C/C(C)(C)C)/C=C(/C)CO 211154309 573733094 /nfs/dbraw/zinc/73/30/94/573733094.db2.gz GETDPLUKJDNRAT-ZVEIMFCASA-N 0 0 168.280 2.917 10 0 AFAERN Cc1c(F)ccc2c1C(=O)CCC2 238489432 573733106 /nfs/dbraw/zinc/73/31/06/573733106.db2.gz JBXQJRSXKJLGGY-UHFFFAOYSA-N 0 0 178.206 2.653 10 0 AFAERN Nc1cc(-c2ccc(Cl)cc2)c[nH]1 258110609 573733135 /nfs/dbraw/zinc/73/31/35/573733135.db2.gz LHEWLTSQXWTVOM-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN COc1nc(-c2ccc(C)o2)cs1 259173690 573733139 /nfs/dbraw/zinc/73/31/39/573733139.db2.gz GJXSANVYJIRZJV-UHFFFAOYSA-N 0 0 195.243 2.720 10 0 AFAERN Oc1cccc2oc(Cl)cc12 108287650 573733148 /nfs/dbraw/zinc/73/31/48/573733148.db2.gz BLNIDDFXAFHCNV-UHFFFAOYSA-N 0 0 168.579 2.792 10 0 AFAERN CCC[C@H](C)[C@@H](NN)C1CCCCC1 126954844 573733185 /nfs/dbraw/zinc/73/31/85/573733185.db2.gz ANEQIDLRAGGQAE-CMPLNLGQSA-N 0 0 198.354 2.835 10 0 AFAERN CCC(=O)c1ccc(O)c(CC)c1 144738484 573733231 /nfs/dbraw/zinc/73/32/31/573733231.db2.gz KDZAFKDZFUAFMH-UHFFFAOYSA-N 0 0 178.231 2.547 10 0 AFAERN CCc1ccc(N)c(SC)c1 144755322 573733284 /nfs/dbraw/zinc/73/32/84/573733284.db2.gz SEMACMMPLUXSQL-UHFFFAOYSA-N 0 0 167.277 2.553 10 0 AFAERN C=C=C(C=C)[C@H](O)c1ccccc1C 238489077 573733299 /nfs/dbraw/zinc/73/32/99/573733299.db2.gz NALIDGFKABIMMO-ZDUSSCGKSA-N 0 0 186.254 2.926 10 0 AFAERN CC[N@@H+]1CCC=C(CC(F)(F)F)C1 258111763 573733367 /nfs/dbraw/zinc/73/33/67/573733367.db2.gz OQSORRBKAOWSDS-UHFFFAOYSA-N 0 0 193.212 2.591 10 0 AFAERN CC1=CC=C[C@@]2(C)CCCC(=O)[C@@H]12 224628504 573734483 /nfs/dbraw/zinc/73/44/83/573734483.db2.gz XSJGOLQBWAIAIV-NEPJUHHUSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1cc(CO)cc(C)c2cccc1-2 238488852 573733409 /nfs/dbraw/zinc/73/34/09/573733409.db2.gz ZRKHUVCWVOHYIC-UHFFFAOYSA-N 0 0 186.254 2.901 10 0 AFAERN CC1=CC=C[C@]2(C)CCCC(=O)[C@H]12 224628466 573733443 /nfs/dbraw/zinc/73/34/43/573733443.db2.gz XSJGOLQBWAIAIV-NWDGAFQWSA-N 0 0 176.259 2.878 10 0 AFAERN C[C@H]1C[C@@H](C)Nc2cccc(O)c21 258109823 573734492 /nfs/dbraw/zinc/73/44/92/573734492.db2.gz YYSUAQCFLORXEU-JGVFFNPUSA-N 0 0 177.247 2.700 10 0 AFAERN C[C@H]1CC(C)(C)c2cccc(O)c2N1 258109558 573733475 /nfs/dbraw/zinc/73/34/75/573733475.db2.gz YTGUFJRIYICWHM-QMMMGPOBSA-N 0 0 191.274 2.874 10 0 AFAERN Cc1cc(F)c(Cl)cc1C=O 108290211 573733508 /nfs/dbraw/zinc/73/35/08/573733508.db2.gz LQKBWCKXXYCOSQ-UHFFFAOYSA-N 0 0 172.586 2.600 10 0 AFAERN Cc1cccc(Cc2ccco2)c1O 238489900 573734493 /nfs/dbraw/zinc/73/44/93/573734493.db2.gz CJUCAVNFFGXWMR-UHFFFAOYSA-N 0 0 188.226 2.884 10 0 AFAERN CC(=O)[C@H]1CCc2ccc(C)cc21 108290853 573733525 /nfs/dbraw/zinc/73/35/25/573733525.db2.gz FRANWTAXMKSRJG-LLVKDONJSA-N 0 0 174.243 2.614 10 0 AFAERN C[C@H]1CC=C2CCC[C@H]2[C@@H](C)C1=O 238488865 573733598 /nfs/dbraw/zinc/73/35/98/573733598.db2.gz KUUDKEVPFTXJTN-NGZCFLSTSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1ccc(-c2ccc(N)[nH]2)cc1 258110612 573733618 /nfs/dbraw/zinc/73/36/18/573733618.db2.gz LHIZCJSXRQFMJC-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Cc1cc(Cl)cc(C=O)c1C 108287676 573733620 /nfs/dbraw/zinc/73/36/20/573733620.db2.gz SWWABXUVLBVOSR-UHFFFAOYSA-N 0 0 168.623 2.769 10 0 AFAERN C[C@@H]1C[C@@H](C)c2c(O)cccc2N1 258109818 573733664 /nfs/dbraw/zinc/73/36/64/573733664.db2.gz YYSUAQCFLORXEU-HTQZYQBOSA-N 0 0 177.247 2.700 10 0 AFAERN C[C@@H]1CC(C)(C)c2cccc(O)c2N1 258109554 573733668 /nfs/dbraw/zinc/73/36/68/573733668.db2.gz YTGUFJRIYICWHM-MRVPVSSYSA-N 0 0 191.274 2.874 10 0 AFAERN Cc1cc(C(C)(C)CO)c(C)cc1F 258111046 573733699 /nfs/dbraw/zinc/73/36/99/573733699.db2.gz PQPUVDZCYXOOOC-UHFFFAOYSA-N 0 0 196.265 2.712 10 0 AFAERN COCc1cc2ccc(N)cc2s1 258112069 573733724 /nfs/dbraw/zinc/73/37/24/573733724.db2.gz SVJGOVWVGLACLE-UHFFFAOYSA-N 0 0 193.271 2.630 10 0 AFAERN C/C=C\[C@@]1(C)CCCC(=O)C1 144786765 573733805 /nfs/dbraw/zinc/73/38/05/573733805.db2.gz DWBLRWZEUJWCMH-NWPZZWLHSA-N 0 0 152.237 2.712 10 0 AFAERN Oc1ccc2occ(Cl)c2c1 108287662 573733892 /nfs/dbraw/zinc/73/38/92/573733892.db2.gz KZINWHJCTZEBHA-UHFFFAOYSA-N 0 0 168.579 2.792 10 0 AFAERN Nc1ccc2c3c1CC[C@@H]3CCC2 108290515 573733934 /nfs/dbraw/zinc/73/39/34/573733934.db2.gz QAMNXZWOTBREMM-QMMMGPOBSA-N 0 0 173.259 2.635 10 0 AFAERN Cc1cc(N)c(C)c2c1CCC=C2 108290504 573734053 /nfs/dbraw/zinc/73/40/53/573734053.db2.gz BVAMLGBHEFYXNQ-UHFFFAOYSA-N 0 0 173.259 2.845 10 0 AFAERN CC(=O)c1coc2cc(C)ccc12 257853097 573734064 /nfs/dbraw/zinc/73/40/64/573734064.db2.gz FMQMRAFGIJLGTC-UHFFFAOYSA-N 0 0 174.199 2.944 10 0 AFAERN Cc1ccc2[nH]cc(C(C)(C)O)c2c1 258110876 573734265 /nfs/dbraw/zinc/73/42/65/573734265.db2.gz JCAFPZIGQFKBTH-UHFFFAOYSA-N 0 0 189.258 2.704 10 0 AFAERN C[C@H]1CC=C2CCCC[C@@H]2C1=O 238488701 573734340 /nfs/dbraw/zinc/73/43/40/573734340.db2.gz SMOXLCJKMYROQE-WPRPVWTQSA-N 0 0 164.248 2.712 10 0 AFAERN CC1=C(C)Nc2cscc2N1 238488980 573734358 /nfs/dbraw/zinc/73/43/58/573734358.db2.gz YPCDPXSNLLVXMF-UHFFFAOYSA-N 0 0 166.249 2.837 10 0 AFAERN Cc1ccc2c(c1)C(=O)CCC=C2 238488777 573734790 /nfs/dbraw/zinc/73/47/90/573734790.db2.gz VTDYRSNCLCYXRX-UHFFFAOYSA-N 0 0 172.227 2.985 10 0 AFAERN Nc1cc2c3c(c1)CC[C@H]3CCC2 108290522 573734543 /nfs/dbraw/zinc/73/45/43/573734543.db2.gz RFCRTFPNWGBUGT-MRVPVSSYSA-N 0 0 173.259 2.635 10 0 AFAERN Clc1nc2c(c3c1CCC3)CCC2 257860006 573734574 /nfs/dbraw/zinc/73/45/74/573734574.db2.gz QVFJDFPFKSEKHP-UHFFFAOYSA-N 0 0 193.677 2.712 10 0 AFAERN C[C@H]1CC=C2CCCC[C@H]2C1=O 238488762 573734597 /nfs/dbraw/zinc/73/45/97/573734597.db2.gz SMOXLCJKMYROQE-WCBMZHEXSA-N 0 0 164.248 2.712 10 0 AFAERN Oc1ccc2oc(Cl)cc2c1 108287646 573734703 /nfs/dbraw/zinc/73/47/03/573734703.db2.gz FTFOIOOPKSHNGB-UHFFFAOYSA-N 0 0 168.579 2.792 10 0 AFAERN CC(C)c1oc(CO)nc1C1CCC1 257858533 573734714 /nfs/dbraw/zinc/73/47/14/573734714.db2.gz QLYFAKVTMMNMGW-UHFFFAOYSA-N 0 0 195.262 2.558 10 0 AFAERN Cc1[nH]oc2nc3ccccc3c1-2 238489350 573734800 /nfs/dbraw/zinc/73/48/00/573734800.db2.gz VYPZHFWVYJIWFA-UHFFFAOYSA-N 0 0 172.187 2.618 10 0 AFAERN Cc1ccccc1[C@@H]1CCC=C[C@@H]1O 238489986 573734865 /nfs/dbraw/zinc/73/48/65/573734865.db2.gz QJSLGTGVLPICGS-STQMWFEESA-N 0 0 188.270 2.790 10 0 AFAERN CC1=CC=C[C@@]2(C)CCCC(=O)[C@H]12 224628431 573735980 /nfs/dbraw/zinc/73/59/80/573735980.db2.gz XSJGOLQBWAIAIV-RYUDHWBXSA-N 0 0 176.259 2.878 10 0 AFAERN Cc1c(Cl)cnc2ccc(O)cc12 257860000 573735728 /nfs/dbraw/zinc/73/57/28/573735728.db2.gz QVBCCBIFQMSEGP-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CCc1ccc([C@@H](C)CO)cc1Cl 257854025 573735762 /nfs/dbraw/zinc/73/57/62/573735762.db2.gz SPXCNKGFMCSPEL-QMMMGPOBSA-N 0 0 198.693 2.998 10 0 AFAERN CC1(C)CSc2ccc(O)cc2N1 258417639 573735793 /nfs/dbraw/zinc/73/57/93/573735793.db2.gz DPCAWEFWOVCEFG-UHFFFAOYSA-N 0 0 195.287 2.688 10 0 AFAERN CNCC(F)(F)CC1CCCCC1 257859971 573735809 /nfs/dbraw/zinc/73/58/09/573735809.db2.gz QTWLIGZEYJQKFQ-UHFFFAOYSA-N 0 0 191.265 2.812 10 0 AFAERN C[C@@H]1Cc2ccc(C3CC3)cc2[C@@H]1O 87013054 573738172 /nfs/dbraw/zinc/73/81/72/573738172.db2.gz GADZJJGAANDILS-AMIZOPFISA-N 0 0 188.270 2.790 10 0 AFAERN C[C@H]1CC=Cc2ccccc2C1=O 238489117 573736735 /nfs/dbraw/zinc/73/67/35/573736735.db2.gz OXLKMASSBKQGES-VIFPVBQESA-N 0 0 172.227 2.922 10 0 AFAERN CC1CCC(C[C@@H](F)CO)CC1 108290885 573736754 /nfs/dbraw/zinc/73/67/54/573736754.db2.gz NIHUMRVJCLJFCN-UDNWOFFPSA-N 0 0 174.259 2.533 10 0 AFAERN CSc1ccc(C2(O)CC2)cc1C 258113402 573736814 /nfs/dbraw/zinc/73/68/14/573736814.db2.gz PVZDTEMPHNEBPY-UHFFFAOYSA-N 0 0 194.299 2.698 10 0 AFAERN C[C@@H]1Cc2c(cccc2C2CC2)C1=O 87015379 573736840 /nfs/dbraw/zinc/73/68/40/573736840.db2.gz IWIUSRWXMNVSFV-MRVPVSSYSA-N 0 0 186.254 2.939 10 0 AFAERN O=C1CCc2ccc(C3CC3)cc21 87013007 573736929 /nfs/dbraw/zinc/73/69/29/573736929.db2.gz KIJWQSZHGVFLAH-UHFFFAOYSA-N 0 0 172.227 2.693 10 0 AFAERN C/C=C\C(=O)NCCC1(C)CCCC1 308693912 573737006 /nfs/dbraw/zinc/73/70/06/573737006.db2.gz SIWUVJBXRAOFPQ-UTCJRWHESA-N 0 0 195.306 2.649 10 0 AFAERN CSc1ccc(F)c(C(C)=O)c1 75925107 573737068 /nfs/dbraw/zinc/73/70/68/573737068.db2.gz XCSYAHVLHUQJKT-UHFFFAOYSA-N 0 0 184.235 2.750 10 0 AFAERN OC/C=C/c1ccccc1C1CC1 87014942 573737108 /nfs/dbraw/zinc/73/71/08/573737108.db2.gz JTMWYTIEESBEPI-HWKANZROSA-N 0 0 174.243 2.570 10 0 AFAERN Cc1cc(CC2(O)CC2)ccc1Cl 258113331 573737117 /nfs/dbraw/zinc/73/71/17/573737117.db2.gz PTQZQOKGNVCPMB-UHFFFAOYSA-N 0 0 196.677 2.716 10 0 AFAERN CC[C@@H](NN)C1(CC(C)C)CCCC1 126887293 573737193 /nfs/dbraw/zinc/73/71/93/573737193.db2.gz RJHFKKRDVFDMFZ-LLVKDONJSA-N 0 0 198.354 2.835 10 0 AFAERN O=[N+]([O-])/C=C/c1ccc(C2CC2)cc1 87013084 573737261 /nfs/dbraw/zinc/73/72/61/573737261.db2.gz VABDQOJSJVCIDL-BQYQJAHWSA-N 0 0 189.214 2.811 10 0 AFAERN CSc1ccccc1C(C)(C)CO 257860179 573737313 /nfs/dbraw/zinc/73/73/13/573737313.db2.gz VEQNEOSGCMUVSP-UHFFFAOYSA-N 0 0 196.315 2.678 10 0 AFAERN CC(C)(C)Cc1ccc(CCO)cc1 258113520 573737332 /nfs/dbraw/zinc/73/73/32/573737332.db2.gz PZSDRUCHYZHLBU-UHFFFAOYSA-N 0 0 192.302 2.810 10 0 AFAERN CC(C)(C)c1ccccc1[C@@H](F)CO 257854029 573737588 /nfs/dbraw/zinc/73/75/88/573737588.db2.gz SQAVUSXRZMJGLO-NSHDSACASA-N 0 0 196.265 2.987 10 0 AFAERN CCc1ccc([C@H](C)CO)cc1Cl 257854023 573737635 /nfs/dbraw/zinc/73/76/35/573737635.db2.gz SPXCNKGFMCSPEL-MRVPVSSYSA-N 0 0 198.693 2.998 10 0 AFAERN C[C@H](O)c1cccc(C2CC2)c1 87012676 573737636 /nfs/dbraw/zinc/73/76/36/573737636.db2.gz AQSQWSZWTWICIS-QMMMGPOBSA-N 0 0 162.232 2.617 10 0 AFAERN CCc1cc(CC)cc(NC(C)=O)c1 197681378 573737650 /nfs/dbraw/zinc/73/76/50/573737650.db2.gz KBPRCAKCLQQLKT-UHFFFAOYSA-N 0 0 191.274 2.770 10 0 AFAERN C[C@H]1Cc2ccc(C3CC3)cc2[C@@H]1O 87013056 573737846 /nfs/dbraw/zinc/73/78/46/573737846.db2.gz GADZJJGAANDILS-ISVAXAHUSA-N 0 0 188.270 2.790 10 0 AFAERN C[C@@H](O)c1ccccc1C1CC1 87015206 573737854 /nfs/dbraw/zinc/73/78/54/573737854.db2.gz SSBOZSHVYAOUHF-MRVPVSSYSA-N 0 0 162.232 2.617 10 0 AFAERN Cc1ccc2ncnc(Cl)c2c1F 75926436 573737910 /nfs/dbraw/zinc/73/79/10/573737910.db2.gz XPZAGCJGEPINHA-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN Cc1cc(C(F)F)c(C)nc1C 238500187 573737950 /nfs/dbraw/zinc/73/79/50/573737950.db2.gz SXTKIWSJBJRXLZ-UHFFFAOYSA-N 0 0 171.190 2.944 10 0 AFAERN C[C@H]1Cc2c(cccc2C2CC2)C1=O 87015381 573737987 /nfs/dbraw/zinc/73/79/87/573737987.db2.gz IWIUSRWXMNVSFV-QMMMGPOBSA-N 0 0 186.254 2.939 10 0 AFAERN O[C@@H]1CCc2ccc(C3CC3)cc21 87013050 573738024 /nfs/dbraw/zinc/73/80/24/573738024.db2.gz KLHHUQJMAMLUEH-GFCCVEGCSA-N 0 0 174.243 2.544 10 0 AFAERN O=[N+]([O-])/C=C/c1cccc(C2CC2)c1 87013082 573738165 /nfs/dbraw/zinc/73/81/65/573738165.db2.gz RRYGEVFEPRBFOH-VOTSOKGWSA-N 0 0 189.214 2.811 10 0 AFAERN O=C1CCc2c1cccc2C1CC1 87015378 573738117 /nfs/dbraw/zinc/73/81/17/573738117.db2.gz GDIIUIVNPYYLHQ-UHFFFAOYSA-N 0 0 172.227 2.693 10 0 AFAERN CC(=O)[C@H]1CCCC[C@@]1(C)Cl 238074372 573738154 /nfs/dbraw/zinc/73/81/54/573738154.db2.gz KNDGWIQFKZDRKA-RKDXNWHRSA-N 0 0 174.671 2.763 10 0 AFAERN C/C=C1\C(C(C)(C)C)=C(C)[C@H]1CO 238075594 573738254 /nfs/dbraw/zinc/73/82/54/573738254.db2.gz RLMFOZHFAJHOSC-ABRRARGCSA-N 0 0 180.291 2.917 10 0 AFAERN CCCc1ccnc2[nH]ccc12 224988176 573738258 /nfs/dbraw/zinc/73/82/58/573738258.db2.gz DBNQBZBEPKPCLE-UHFFFAOYSA-N 0 0 160.220 2.515 10 0 AFAERN CC(=O)c1ccc2c(c1)OCC2(C)C 238071623 573740957 /nfs/dbraw/zinc/74/09/57/573740957.db2.gz VYDVZBADPYOPIB-UHFFFAOYSA-N 0 0 190.242 2.559 10 0 AFAERN CC(=C/CO)/C=C1/C=CCCC1 214834326 573740982 /nfs/dbraw/zinc/74/09/82/573740982.db2.gz KTEGIQFEOJPTPB-HDEMWOFXSA-N 0 0 164.248 2.592 10 0 AFAERN COCCCC(=O)c1ccc(C)s1 84007627 573740993 /nfs/dbraw/zinc/74/09/93/573740993.db2.gz SLKSCKFZOLTJBC-UHFFFAOYSA-N 0 0 198.287 2.666 10 0 AFAERN Nc1nccc2sc(Cl)cc12 108297608 573741012 /nfs/dbraw/zinc/74/10/12/573741012.db2.gz OQKQRCABMPWUNP-UHFFFAOYSA-N 0 0 184.651 2.532 10 0 AFAERN CCC(=O)CC[C@@H]1CCCC[C@H]1OC 308698107 573739735 /nfs/dbraw/zinc/73/97/35/573739735.db2.gz UGWCKQKQIHUHEW-CMPLNLGQSA-N 0 0 198.306 2.951 10 0 AFAERN CC/C=C\C(=O)OC/C=C/CCC 308427697 573739741 /nfs/dbraw/zinc/73/97/41/573739741.db2.gz XZTHEPAQECFIRQ-NEVGTANLSA-N 0 0 182.263 2.852 10 0 AFAERN Cc1c(F)ccc2[nH]c(Cl)nc12 143205732 573739756 /nfs/dbraw/zinc/73/97/56/573739756.db2.gz FJWKOSGPJIPKCQ-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN CC(=O)NC12CCCC(C)(CCC1)C2 238072735 573739785 /nfs/dbraw/zinc/73/97/85/573739785.db2.gz VJKHWONGNJKRNL-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN Cc1cc(C)c2nc(Cl)ncc2c1 238500126 573739831 /nfs/dbraw/zinc/73/98/31/573739831.db2.gz ZNGVFXTXKMVQFO-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN C[C@@H](O)c1cccc(C2CC2)c1 87012678 573739873 /nfs/dbraw/zinc/73/98/73/573739873.db2.gz AQSQWSZWTWICIS-MRVPVSSYSA-N 0 0 162.232 2.617 10 0 AFAERN C[C@H]1C[C@@H](O)C2=C1CCCCC2 238502452 573739877 /nfs/dbraw/zinc/73/98/77/573739877.db2.gz UGLDJFFIEFHHIQ-GZMMTYOYSA-N 0 0 166.264 2.648 10 0 AFAERN Nc1csnc1-c1cccc(F)c1 84005611 573739891 /nfs/dbraw/zinc/73/98/91/573739891.db2.gz QRCDGHAZPLCCME-UHFFFAOYSA-N 0 0 194.234 2.531 10 0 AFAERN CC(=O)Nc1cc(Cl)c(C)cc1C 238075321 573739898 /nfs/dbraw/zinc/73/98/98/573739898.db2.gz ZOYGSNXDXCIKGJ-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN CC(=O)c1cc(F)cc2ccoc12 258103796 573739949 /nfs/dbraw/zinc/73/99/49/573739949.db2.gz YCXQXHIWZIEECC-UHFFFAOYSA-N 0 0 178.162 2.775 10 0 AFAERN CC(=O)[C@H]1CCC(Cl)=C(C)C1 238072090 573739952 /nfs/dbraw/zinc/73/99/52/573739952.db2.gz RVUMUNYKOVCPHH-QMMMGPOBSA-N 0 0 172.655 2.888 10 0 AFAERN CC(C)(C)C[C@@H]([NH3+])c1ccc(F)cn1 238071645 573740033 /nfs/dbraw/zinc/74/00/33/573740033.db2.gz NRVNFPDTBOZPNA-SECBINFHSA-N 0 0 196.269 2.657 10 0 AFAERN Cc1cc(O)c2c(c1C)CCCC2 143221820 573740145 /nfs/dbraw/zinc/74/01/45/573740145.db2.gz UFJFAFAVNFSSRU-UHFFFAOYSA-N 0 0 176.259 2.888 10 0 AFAERN CC(=O)c1ccc2cc(N)cc-2cc1 238071732 573740152 /nfs/dbraw/zinc/74/01/52/573740152.db2.gz RXBCNNQHKHBJNR-UHFFFAOYSA-N 0 0 185.226 2.576 10 0 AFAERN CC(=O)[C@H]1CCCC[C@]1(C)Cl 238074803 573740170 /nfs/dbraw/zinc/74/01/70/573740170.db2.gz KNDGWIQFKZDRKA-BDAKNGLRSA-N 0 0 174.671 2.763 10 0 AFAERN CC/C=C\C(=O)OC/C=C\CCC 308427698 573740209 /nfs/dbraw/zinc/74/02/09/573740209.db2.gz XZTHEPAQECFIRQ-QOCNPQIPSA-N 0 0 182.263 2.852 10 0 AFAERN O=Cc1cccc2c(Cl)c[nH]c12 108292698 573740215 /nfs/dbraw/zinc/74/02/15/573740215.db2.gz QTBAPPRYWTVOKP-UHFFFAOYSA-N 0 0 179.606 2.634 10 0 AFAERN COCc1cn(C)c2ccc(C)cc12 257858591 573740251 /nfs/dbraw/zinc/74/02/51/573740251.db2.gz DXFZPIPFSCMZNU-UHFFFAOYSA-N 0 0 189.258 2.633 10 0 AFAERN C[C@H](F)c1ccc(C=O)s1 258419981 573740278 /nfs/dbraw/zinc/74/02/78/573740278.db2.gz BVZTVYPVILNATI-YFKPBYRVSA-N 0 0 158.197 2.591 10 0 AFAERN C[C@@H]1CCc2c(O)cc(F)cc21 143284538 573740302 /nfs/dbraw/zinc/74/03/02/573740302.db2.gz MMNVYOYCVDBWDE-ZCFIWIBFSA-N 0 0 166.195 2.581 10 0 AFAERN CCC(=O)CCc1ccc(C)s1 84020487 573740326 /nfs/dbraw/zinc/74/03/26/573740326.db2.gz LQKBPCJAZRGBOI-UHFFFAOYSA-N 0 0 182.288 2.968 10 0 AFAERN O=[N+]([O-])/C=C/c1ccccc1C1CC1 87014636 573740331 /nfs/dbraw/zinc/74/03/31/573740331.db2.gz YPVVWCGDEWUJTB-BQYQJAHWSA-N 0 0 189.214 2.811 10 0 AFAERN COc1cccc2c1S[C@H](C)CN2 259174501 573740345 /nfs/dbraw/zinc/74/03/45/573740345.db2.gz JESMRRKZHLRFER-SSDOTTSWSA-N 0 0 195.287 2.601 10 0 AFAERN Oc1ccccc1C[C@H]1CCSC1 257859161 573741033 /nfs/dbraw/zinc/74/10/33/573741033.db2.gz QNXJHPZNMZAHME-SECBINFHSA-N 0 0 194.299 2.688 10 0 AFAERN Cc1sc2ccccc2c1CCO 238500027 573740386 /nfs/dbraw/zinc/74/03/86/573740386.db2.gz ZJKPAADODQRQRE-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN Cc1ccc(F)c([C@@H]2CO2)c1Cl 238502266 573740395 /nfs/dbraw/zinc/74/03/95/573740395.db2.gz HRGNDUOINWWFLL-ZETCQYMHSA-N 0 0 186.613 2.859 10 0 AFAERN Cc1ccc([C@@H](C)C[C@@H](C)O)s1 84021235 573740519 /nfs/dbraw/zinc/74/05/19/573740519.db2.gz RITOWHJDHZHIRF-JGVFFNPUSA-N 0 0 184.304 2.931 10 0 AFAERN O[C@H]1CCc2ccc(C3CC3)cc21 87013052 573740908 /nfs/dbraw/zinc/74/09/08/573740908.db2.gz KLHHUQJMAMLUEH-LBPRGKRZSA-N 0 0 174.243 2.544 10 0 AFAERN Cc1nc(C(F)F)cc(Cl)c1N 238500085 573740569 /nfs/dbraw/zinc/74/05/69/573740569.db2.gz DMFAIOQAQDKXEP-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1ccc([C@@H]2CC[C@H](O)[C@@H]2C)s1 84021251 573740606 /nfs/dbraw/zinc/74/06/06/573740606.db2.gz VPVJRUSLEZYJNZ-BBBLOLIVSA-N 0 0 196.315 2.931 10 0 AFAERN CCC(=O)CC[C@@H]1CCCC[C@@H]1OC 308698108 573740668 /nfs/dbraw/zinc/74/06/68/573740668.db2.gz UGWCKQKQIHUHEW-JQWIXIFHSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1nc(C(F)F)cc(F)c1C 238500227 573740682 /nfs/dbraw/zinc/74/06/82/573740682.db2.gz AZVZBXCUFIBLPO-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN FC(F)(F)c1cccc2cnoc12 143208462 573740694 /nfs/dbraw/zinc/74/06/94/573740694.db2.gz KYSIZDUWPBHMQN-UHFFFAOYSA-N 0 0 187.120 2.847 10 0 AFAERN C[C@H]1Cc2ccc(C3CC3)cc2[C@H]1O 87013060 573740726 /nfs/dbraw/zinc/74/07/26/573740726.db2.gz GADZJJGAANDILS-SDBXPKJASA-N 0 0 188.270 2.790 10 0 AFAERN C[C@@H](O)CCc1ccc(C2CC2)cc1 87014043 573740741 /nfs/dbraw/zinc/74/07/41/573740741.db2.gz PMWLSNFMXZYYMV-SNVBAGLBSA-N 0 0 190.286 2.877 10 0 AFAERN COc1cccc2c1S[C@@H](C)CN2 259174505 573740775 /nfs/dbraw/zinc/74/07/75/573740775.db2.gz JESMRRKZHLRFER-ZETCQYMHSA-N 0 0 195.287 2.601 10 0 AFAERN C[C@H]1CCc2c(O)cc(F)cc21 143284739 573740783 /nfs/dbraw/zinc/74/07/83/573740783.db2.gz MMNVYOYCVDBWDE-LURJTMIESA-N 0 0 166.195 2.581 10 0 AFAERN CCN(C)C(=O)C[C@@H](C)C(C)(C)C 308430564 573740797 /nfs/dbraw/zinc/74/07/97/573740797.db2.gz SZQIHHQHQYKXIW-SECBINFHSA-N 0 0 185.311 2.537 10 0 AFAERN C[C@H]1Cc2ccc(C3CC3)cc2C1=O 87013010 573740810 /nfs/dbraw/zinc/74/08/10/573740810.db2.gz MEKDVMIBVLKNGM-QMMMGPOBSA-N 0 0 186.254 2.939 10 0 AFAERN CC(=O)c1cccc2cc(N)cc-2c1 238074562 573741089 /nfs/dbraw/zinc/74/10/89/573741089.db2.gz WHDSCDFWGSARQR-UHFFFAOYSA-N 0 0 185.226 2.576 10 0 AFAERN Cc1c(Cl)[nH]c2ccc(O)cc12 258115121 573741112 /nfs/dbraw/zinc/74/11/12/573741112.db2.gz ZDKZTSWCCLOMNJ-UHFFFAOYSA-N 0 0 181.622 2.835 10 0 AFAERN Cc1ccc([C@@H]2CCC(=O)C2)s1 84020474 573741132 /nfs/dbraw/zinc/74/11/32/573741132.db2.gz YFKYRQOBIQZZHS-MRVPVSSYSA-N 0 0 180.272 2.893 10 0 AFAERN CC(=O)[C@H]1CCC2=C1CCCC2 238072308 573741144 /nfs/dbraw/zinc/74/11/44/573741144.db2.gz HXEUIOFOFNNPJC-SNVBAGLBSA-N 0 0 164.248 2.856 10 0 AFAERN CSc1ccc2cc(N)cnc2c1 143203163 573741186 /nfs/dbraw/zinc/74/11/86/573741186.db2.gz BOCGUTSXVCEZGG-UHFFFAOYSA-N 0 0 190.271 2.539 10 0 AFAERN Cc1ccc([C@H](C)C[C@H](C)O)s1 84021243 573741194 /nfs/dbraw/zinc/74/11/94/573741194.db2.gz RITOWHJDHZHIRF-SFYZADRCSA-N 0 0 184.304 2.931 10 0 AFAERN OC1(c2ccc(Cl)o2)CCCC1 258115128 573741223 /nfs/dbraw/zinc/74/12/23/573741223.db2.gz SWGHIRHUTKXYRN-UHFFFAOYSA-N 0 0 186.638 2.695 10 0 AFAERN CC(=O)[C@H]1CCCC(C)=C1C 238073001 573741267 /nfs/dbraw/zinc/74/12/67/573741267.db2.gz DWKVXIIGIMUPLG-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN CCCc1c(C)cc(CO)cc1C 223517018 573741349 /nfs/dbraw/zinc/74/13/49/573741349.db2.gz YYULWBXPUMMFLA-UHFFFAOYSA-N 0 0 178.275 2.748 10 0 AFAERN O=c1ccc(C=Cc2ccccc2)c[nH]1 308698378 573741491 /nfs/dbraw/zinc/74/14/91/573741491.db2.gz UYAZVPGRHOPIIJ-SREVYHEPSA-N 0 0 197.237 2.958 10 0 AFAERN CC(=O)[C@H]1CCCCC=C1Cl 238073381 573741496 /nfs/dbraw/zinc/74/14/96/573741496.db2.gz LWJWOYKYZBPPMP-MRVPVSSYSA-N 0 0 172.655 2.888 10 0 AFAERN CO[C@@H]1CCC[C@H]1[C@@H](C(C)=O)C(C)C 308698122 573741499 /nfs/dbraw/zinc/74/14/99/573741499.db2.gz UHMRQVIMKYZWFT-IJLUTSLNSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1ccc([C@H]2CCC(=O)C2)s1 84020478 573741500 /nfs/dbraw/zinc/74/15/00/573741500.db2.gz YFKYRQOBIQZZHS-QMMMGPOBSA-N 0 0 180.272 2.893 10 0 AFAERN C[C@@H]1[C@H](O)CC[C@@H]1Cc1ccccc1 224993812 573741519 /nfs/dbraw/zinc/74/15/19/573741519.db2.gz PSXMSILNKMGFHA-CYZMBNFOSA-N 0 0 190.286 2.636 10 0 AFAERN C/C=C1\C(C(C)(C)C)=C(C)[C@@H]1CO 238073745 573741555 /nfs/dbraw/zinc/74/15/55/573741555.db2.gz RLMFOZHFAJHOSC-MBACFSSFSA-N 0 0 180.291 2.917 10 0 AFAERN C/C=C(/[C@H](O)CC)[Si](C)(C)C 197641565 573741581 /nfs/dbraw/zinc/74/15/81/573741581.db2.gz WCWWCUPZNUHFMX-XZZQCUQZSA-N 0 0 172.344 2.581 10 0 AFAERN Cc1ccsc1[C@@H]1CCC(=O)C1 87022984 573741608 /nfs/dbraw/zinc/74/16/08/573741608.db2.gz MQOWPRFDPWYRKP-MRVPVSSYSA-N 0 0 180.272 2.893 10 0 AFAERN COc1c(C)ccc(C(C)(C)O)c1C 258103618 573741652 /nfs/dbraw/zinc/74/16/52/573741652.db2.gz OYOKXNGSDHKBRC-UHFFFAOYSA-N 0 0 194.274 2.539 10 0 AFAERN Cc1ccc2c(c1)[C@H](CO)C[C@@H]2C 238500029 573741682 /nfs/dbraw/zinc/74/16/82/573741682.db2.gz HULRXCCBRNSBHP-UWVGGRQHSA-N 0 0 176.259 2.578 10 0 AFAERN C[C@H]1Nc2ccccc2C(=O)C1(C)C 238500402 573741692 /nfs/dbraw/zinc/74/16/92/573741692.db2.gz GBRVZCDNLRPHHW-MRVPVSSYSA-N 0 0 189.258 2.710 10 0 AFAERN Cc1ccc(Cl)c(CCCO)c1C 258102897 573741724 /nfs/dbraw/zinc/74/17/24/573741724.db2.gz KQPNBUIAXARYDF-UHFFFAOYSA-N 0 0 198.693 2.882 10 0 AFAERN Cc1ccsc1-c1cnc(N)s1 87018961 573741733 /nfs/dbraw/zinc/74/17/33/573741733.db2.gz VEVQCSULRXWDPU-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN Cc1coc2cccc([C@H](C)CO)c12 258103691 573741790 /nfs/dbraw/zinc/74/17/90/573741790.db2.gz OZXNEDNABSOPAW-MRVPVSSYSA-N 0 0 190.242 2.837 10 0 AFAERN CC[C@@H](C)C(=O)c1ccccc1NC 223508652 573741792 /nfs/dbraw/zinc/74/17/92/573741792.db2.gz UMWBQPNNGJTZJM-SECBINFHSA-N 0 0 191.274 2.957 10 0 AFAERN CC(=O)CCc1ccc(C)s1 84020480 573741805 /nfs/dbraw/zinc/74/18/05/573741805.db2.gz CLCKLTSJAMOODR-UHFFFAOYSA-N 0 0 168.261 2.578 10 0 AFAERN CCN(C)C(=O)C[C@H](C)C(C)(C)C 308430565 573741865 /nfs/dbraw/zinc/74/18/65/573741865.db2.gz SZQIHHQHQYKXIW-VIFPVBQESA-N 0 0 185.311 2.537 10 0 AFAERN Cc1cc(C(F)F)c(C)cn1 238500144 573741874 /nfs/dbraw/zinc/74/18/74/573741874.db2.gz FDYDBFGERIHVSM-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN Cc1ccc2c(Cl)nc(C)n2c1 258419674 573741899 /nfs/dbraw/zinc/74/18/99/573741899.db2.gz VZBVBHSUNYIHPZ-UHFFFAOYSA-N 0 0 180.638 2.605 10 0 AFAERN Cc1coc2cccc([C@H](C)O)c12 258115916 573741909 /nfs/dbraw/zinc/74/19/09/573741909.db2.gz OUJDBMSELIBJBB-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN Cc1ccccc1-c1nscc1N 84005597 573741942 /nfs/dbraw/zinc/74/19/42/573741942.db2.gz JSPVPJKRNBTMAT-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1ccc(C2=C[C@@H](O)CC2)s1 84021280 573741946 /nfs/dbraw/zinc/74/19/46/573741946.db2.gz YKEKYVBDCVYAJA-VIFPVBQESA-N 0 0 180.272 2.595 10 0 AFAERN CC[C@@H]1Oc2cc(Cl)ccc2[C@H]1O 87016347 573741959 /nfs/dbraw/zinc/74/19/59/573741959.db2.gz ZMDYOYQJUJBXDJ-WCBMZHEXSA-N 0 0 198.649 2.544 10 0 AFAERN Cc1ccsc1C1=C[C@@H](O)CC1 87023459 573741966 /nfs/dbraw/zinc/74/19/66/573741966.db2.gz FWAJSSMQPUVUIZ-VIFPVBQESA-N 0 0 180.272 2.595 10 0 AFAERN Cc1ccc([C@@H]2CC[C@@H](O)C2)s1 84021162 573741994 /nfs/dbraw/zinc/74/19/94/573741994.db2.gz JDDBTESLLLRIPT-RKDXNWHRSA-N 0 0 182.288 2.685 10 0 AFAERN O=Cc1cccc([C@H]2C[C@@H]2C(F)F)c1 258103681 573742028 /nfs/dbraw/zinc/74/20/28/573742028.db2.gz ODEAHBNFRJPVAS-ZJUUUORDSA-N 0 0 196.196 2.868 10 0 AFAERN COc1cc(C(C)C)sc1C=O 108296873 573742065 /nfs/dbraw/zinc/74/20/65/573742065.db2.gz JYCKHWJUKAGPMS-UHFFFAOYSA-N 0 0 184.260 2.693 10 0 AFAERN Cc1ccc2c(c1Cl)C(=O)CCO2 238499978 573742073 /nfs/dbraw/zinc/74/20/73/573742073.db2.gz JTUWXBHMDNCSBA-UHFFFAOYSA-N 0 0 196.633 2.614 10 0 AFAERN Cc1ccc(Cl)c2nc[nH]c12 143290728 573742084 /nfs/dbraw/zinc/74/20/84/573742084.db2.gz CNEGLHFOWBBXPI-UHFFFAOYSA-N 0 0 166.611 2.525 10 0 AFAERN Cc1ccc([C@@H]2CCCC2=O)s1 84020198 573742418 /nfs/dbraw/zinc/74/24/18/573742418.db2.gz YMVVFNYMKJLSPB-MRVPVSSYSA-N 0 0 180.272 2.893 10 0 AFAERN O=Cc1cccc2[nH]c(Cl)cc12 108292691 573742117 /nfs/dbraw/zinc/74/21/17/573742117.db2.gz GALNZTGIXYLRHM-UHFFFAOYSA-N 0 0 179.606 2.634 10 0 AFAERN CCc1cc2c(OC)cccc2n1C 78169848 573742126 /nfs/dbraw/zinc/74/21/26/573742126.db2.gz UAGJGZSDJGJUAD-UHFFFAOYSA-N 0 0 189.258 2.749 10 0 AFAERN CCCCc1noc(C(C)(C)F)n1 308427834 573742193 /nfs/dbraw/zinc/74/21/93/573742193.db2.gz RYRMFCQEBFEDTO-UHFFFAOYSA-N 0 0 186.230 2.617 10 0 AFAERN O=Cc1cccc([C@@H]2C[C@@H]2C(F)F)c1 258103676 573742200 /nfs/dbraw/zinc/74/22/00/573742200.db2.gz ODEAHBNFRJPVAS-UWVGGRQHSA-N 0 0 196.196 2.868 10 0 AFAERN CCn1c(C(C)(C)C)cnc1Cl 258420452 573742214 /nfs/dbraw/zinc/74/22/14/573742214.db2.gz CSIQOVZNELFSBB-UHFFFAOYSA-N 0 0 186.686 2.854 10 0 AFAERN Cc1ccc(-c2nscc2N)cc1 84005614 573742426 /nfs/dbraw/zinc/74/24/26/573742426.db2.gz ZLEAFYCSQALAEM-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CO[C@@H]1CCC[C@@H]1[C@H](C(C)=O)C(C)C 308698126 573742429 /nfs/dbraw/zinc/74/24/29/573742429.db2.gz UHMRQVIMKYZWFT-TUAOUCFPSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1ccc([C@@H]2CC[C@H](O)C2)s1 84021160 573742279 /nfs/dbraw/zinc/74/22/79/573742279.db2.gz JDDBTESLLLRIPT-BDAKNGLRSA-N 0 0 182.288 2.685 10 0 AFAERN Cc1ccsc1C1(O)CCCC1 87020572 573742291 /nfs/dbraw/zinc/74/22/91/573742291.db2.gz PTBARYJDXUGEGN-UHFFFAOYSA-N 0 0 182.288 2.818 10 0 AFAERN CC1=Nc2nc3ccccc3n2CC1 75947391 573742326 /nfs/dbraw/zinc/74/23/26/573742326.db2.gz LMMBFKUBEHCTNG-UHFFFAOYSA-N 0 0 185.230 2.532 10 0 AFAERN Cc1ccccc1[C@@H]1CCC=C[C@H]1O 238490005 573742333 /nfs/dbraw/zinc/74/23/33/573742333.db2.gz QJSLGTGVLPICGS-QWHCGFSZSA-N 0 0 188.270 2.790 10 0 AFAERN Cc1cccc(-c2nscc2N)c1 84005579 573742350 /nfs/dbraw/zinc/74/23/50/573742350.db2.gz IPMZDFNWBHZUMF-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cc(C(F)F)c(C)c(F)n1 238499970 573742382 /nfs/dbraw/zinc/74/23/82/573742382.db2.gz OVSNXVHQFDXWFL-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Cc1ccc(-c2cnc(N)s2)s1 84005859 573742437 /nfs/dbraw/zinc/74/24/37/573742437.db2.gz ZGAPXNJABVRGIP-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN Cc1ccsc1-c1cccnc1N 87018951 573744251 /nfs/dbraw/zinc/74/42/51/573744251.db2.gz OIWKGBXRKYJVAX-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@@H]1C=CCc2ccccc2N1 238500712 573744278 /nfs/dbraw/zinc/74/42/78/573744278.db2.gz VKCZVNSPCXSGRW-SECBINFHSA-N 0 0 159.232 2.599 10 0 AFAERN C[C@H]1Nc2ccccc2[C@@H]1C1CC1 238501200 573744290 /nfs/dbraw/zinc/74/42/90/573744290.db2.gz UMWNEGXBPKBZIV-PELKAZGASA-N 0 0 173.259 2.994 10 0 AFAERN C[C@H]1Cc2c(C3CC3)cccc2[C@H]1O 87015429 573743673 /nfs/dbraw/zinc/74/36/73/573743673.db2.gz VIKHWCQOXWDIJT-SDBXPKJASA-N 0 0 188.270 2.790 10 0 AFAERN Cc1ccc([C@@H](C)C[C@H](C)O)s1 84021241 573743184 /nfs/dbraw/zinc/74/31/84/573743184.db2.gz RITOWHJDHZHIRF-YUMQZZPRSA-N 0 0 184.304 2.931 10 0 AFAERN CSCC1(c2cccc(O)c2)CC1 258103528 573743188 /nfs/dbraw/zinc/74/31/88/573743188.db2.gz OBBIQYXECDILEW-UHFFFAOYSA-N 0 0 194.299 2.787 10 0 AFAERN Clc1ncc(C2CCC2)o1 258420043 573743683 /nfs/dbraw/zinc/74/36/83/573743683.db2.gz COXSBJSNHAMQRG-UHFFFAOYSA-N 0 0 157.600 2.596 10 0 AFAERN Oc1ccc2c(c1)[C@H]1[C@H]3[C@@H]2[C@H]3[C@H]2CC[C@H]21 308699431 573743217 /nfs/dbraw/zinc/74/32/17/573743217.db2.gz IDOSYGZQYHVALU-BWHANWTESA-N 0 0 198.265 2.859 10 0 AFAERN Cc1ccsc1[C@H]1CC[C@H](O)C1 87023374 573743232 /nfs/dbraw/zinc/74/32/32/573743232.db2.gz IEIKURWMZUHCJT-IUCAKERBSA-N 0 0 182.288 2.685 10 0 AFAERN CC(=O)C1C[C@H]2CC=CC[C@@H]2C1 238076099 573743245 /nfs/dbraw/zinc/74/32/45/573743245.db2.gz GIZPCPKSOBARBQ-NXEZZACHSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cc2ccc(C3(O)CC3)cc2o1 258103767 573743250 /nfs/dbraw/zinc/74/32/50/573743250.db2.gz PBNAUVYHUJSOKY-UHFFFAOYSA-N 0 0 188.226 2.723 10 0 AFAERN Cc1coc2cccc([C@@H](C)O)c12 258115911 573743424 /nfs/dbraw/zinc/74/34/24/573743424.db2.gz OUJDBMSELIBJBB-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN C[C@@H]1Cc2c(C3CC3)cccc2[C@@H]1O 87015423 573743440 /nfs/dbraw/zinc/74/34/40/573743440.db2.gz VIKHWCQOXWDIJT-AMIZOPFISA-N 0 0 188.270 2.790 10 0 AFAERN C[C@]12CC=CC=CC1=CCCC2=O 238500842 573743465 /nfs/dbraw/zinc/74/34/65/573743465.db2.gz BVBDQSLJRUONMX-LBPRGKRZSA-N 0 0 174.243 2.798 10 0 AFAERN Cc1ccc([C@H]2CCCC2=O)s1 84020201 573743499 /nfs/dbraw/zinc/74/34/99/573743499.db2.gz YMVVFNYMKJLSPB-QMMMGPOBSA-N 0 0 180.272 2.893 10 0 AFAERN Cc1ccc([C@H]2CC[C@H](O)C2)s1 84021161 573743507 /nfs/dbraw/zinc/74/35/07/573743507.db2.gz JDDBTESLLLRIPT-IUCAKERBSA-N 0 0 182.288 2.685 10 0 AFAERN C[C@](F)(CO)c1ccc(Cl)s1 257861115 573743512 /nfs/dbraw/zinc/74/35/12/573743512.db2.gz VNRFCLLQFLPKHI-ZETCQYMHSA-N 0 0 194.658 2.579 10 0 AFAERN O=Cc1cccc([C@H]2C[C@H]2C(F)F)c1 258103674 573743558 /nfs/dbraw/zinc/74/35/58/573743558.db2.gz ODEAHBNFRJPVAS-NXEZZACHSA-N 0 0 196.196 2.868 10 0 AFAERN Cc1nc2ccc(F)c(F)c2s1 238501069 573743566 /nfs/dbraw/zinc/74/35/66/573743566.db2.gz DLFCTVZBCYRRSJ-UHFFFAOYSA-N 0 0 185.198 2.883 10 0 AFAERN Cc1ccsc1C1=C[C@@H](O)CCC1 87023440 573743581 /nfs/dbraw/zinc/74/35/81/573743581.db2.gz ZQDYQQXLYINGGG-JTQLQIEISA-N 0 0 194.299 2.985 10 0 AFAERN Cc1cnc(C(F)F)c(C)c1F 238501091 573743592 /nfs/dbraw/zinc/74/35/92/573743592.db2.gz ZPVRIIHHJHVBQB-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN COC(C)(C)c1ccc([C@H](C)O)cc1 258115928 573743596 /nfs/dbraw/zinc/74/35/96/573743596.db2.gz QAHNPCFSEKXEKO-VIFPVBQESA-N 0 0 194.274 2.621 10 0 AFAERN CC[C@H]1Oc2cc(Cl)ccc2[C@H]1O 87016345 573743626 /nfs/dbraw/zinc/74/36/26/573743626.db2.gz ZMDYOYQJUJBXDJ-PSASIEDQSA-N 0 0 198.649 2.544 10 0 AFAERN Cc1ccsc1[C@@H](C)C[C@@H](C)O 87023422 573743762 /nfs/dbraw/zinc/74/37/62/573743762.db2.gz HCUPXWDOAPPDFJ-DTWKUNHWSA-N 0 0 184.304 2.931 10 0 AFAERN Fc1cccc2c1N[C@H](C1CC1)CC2 108301651 573743790 /nfs/dbraw/zinc/74/37/90/573743790.db2.gz CHNUFPLXOXCGDZ-NSHDSACASA-N 0 0 191.249 2.962 10 0 AFAERN Cc1ccc([C@H]2CC[C@@H](O)C2)s1 84021164 573743795 /nfs/dbraw/zinc/74/37/95/573743795.db2.gz JDDBTESLLLRIPT-DTWKUNHWSA-N 0 0 182.288 2.685 10 0 AFAERN CCC(=O)CC[C@H]1CCCC[C@@H]1OC 308698109 573743838 /nfs/dbraw/zinc/74/38/38/573743838.db2.gz UGWCKQKQIHUHEW-PWSUYJOCSA-N 0 0 198.306 2.951 10 0 AFAERN C/C=C/[C@H]1CCCC2=C1CCC(=O)N2 238061349 573743845 /nfs/dbraw/zinc/74/38/45/573743845.db2.gz ZBQDTSIEPRSZTB-LXOKAJLYSA-N 0 0 191.274 2.527 10 0 AFAERN Fc1cccc2c1NCC1(CC1)S2 259174635 573743848 /nfs/dbraw/zinc/74/38/48/573743848.db2.gz JGCDJKLLMZPRHX-UHFFFAOYSA-N 0 0 195.262 2.876 10 0 AFAERN Cc1ccc(C2=C[C@H](O)CCC2)s1 84021262 573743859 /nfs/dbraw/zinc/74/38/59/573743859.db2.gz MJCSAFOPPJHGFO-SNVBAGLBSA-N 0 0 194.299 2.985 10 0 AFAERN C[C@@](F)(CO)c1ccc(Cl)s1 257861114 573743872 /nfs/dbraw/zinc/74/38/72/573743872.db2.gz VNRFCLLQFLPKHI-SSDOTTSWSA-N 0 0 194.658 2.579 10 0 AFAERN CC[C@@H]1Oc2cc(Cl)ccc2[C@@H]1O 87016352 573743877 /nfs/dbraw/zinc/74/38/77/573743877.db2.gz ZMDYOYQJUJBXDJ-WPRPVWTQSA-N 0 0 198.649 2.544 10 0 AFAERN C[C@@H](F)c1ccc(C=O)s1 258419978 573743960 /nfs/dbraw/zinc/74/39/60/573743960.db2.gz BVZTVYPVILNATI-RXMQYKEDSA-N 0 0 158.197 2.591 10 0 AFAERN CCOC(=O)CCc1sccc1C 87019170 573744003 /nfs/dbraw/zinc/74/40/03/573744003.db2.gz BLTAJYKDEZPFHK-UHFFFAOYSA-N 0 0 198.287 2.552 10 0 AFAERN CC(=O)C1C[C@H]2CCCC[C@@H]2C1 238076128 573744029 /nfs/dbraw/zinc/74/40/29/573744029.db2.gz KEYSNFHQYMIMIW-NXEZZACHSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C(=O)OCCC2CCC2)CC1 393561440 573744035 /nfs/dbraw/zinc/74/40/35/573744035.db2.gz CTYWABQEUJWFMT-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CCc1ccsc1-c1cc(N)on1 87017232 573744069 /nfs/dbraw/zinc/74/40/69/573744069.db2.gz MCAOVZPZGVXAMA-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN C[C@@]1(c2cccc(Cl)c2)CC[C@H]1O 238500720 573744092 /nfs/dbraw/zinc/74/40/92/573744092.db2.gz XETMDXNYSYDLRK-MNOVXSKESA-N 0 0 196.677 2.752 10 0 AFAERN Cc1[nH]c2ccc3c[nH]nc3c2c1C 238501361 573744097 /nfs/dbraw/zinc/74/40/97/573744097.db2.gz NHIHBVGZVAMRKC-UHFFFAOYSA-N 0 0 185.230 2.661 10 0 AFAERN CC(C)[C@@H](O)c1cccc(Cl)c1N 257860981 573744104 /nfs/dbraw/zinc/74/41/04/573744104.db2.gz OQFXCYNSSWKZLK-SNVBAGLBSA-N 0 0 199.681 2.612 10 0 AFAERN Cc1cnc(C(F)F)c(C)c1C 238500836 573744110 /nfs/dbraw/zinc/74/41/10/573744110.db2.gz FPQHQKOHFPVWSW-UHFFFAOYSA-N 0 0 171.190 2.944 10 0 AFAERN CCc1nc2cccnc2n1C(C)C 258902820 573744128 /nfs/dbraw/zinc/74/41/28/573744128.db2.gz VGIWMWJEGXKAQU-UHFFFAOYSA-N 0 0 189.262 2.575 10 0 AFAERN C[C@@]12CCC=CCC[C@@]1(C)C2CO 393561633 573744170 /nfs/dbraw/zinc/74/41/70/573744170.db2.gz DPLFGUUAIZDSDQ-RYUDHWBXSA-N 0 0 180.291 2.751 10 0 AFAERN CC(C)[C@H](O)c1cccc(Cl)c1N 257860980 573744172 /nfs/dbraw/zinc/74/41/72/573744172.db2.gz OQFXCYNSSWKZLK-JTQLQIEISA-N 0 0 199.681 2.612 10 0 AFAERN C[C@H]1Nc2ccccc2[C@H](C)O1 238501276 573744183 /nfs/dbraw/zinc/74/41/83/573744183.db2.gz VCSOWJYSVJEJKB-YUMQZZPRSA-N 0 0 163.220 2.536 10 0 AFAERN CC(C)[C@@H]1C[C@@H](O)c2ccccc2N1 108301702 573744188 /nfs/dbraw/zinc/74/41/88/573744188.db2.gz ZGWZILKPWIDXIV-NWDGAFQWSA-N 0 0 191.274 2.560 10 0 AFAERN Cc1ccsc1[C@H]1CCCC1=O 87022719 573744200 /nfs/dbraw/zinc/74/42/00/573744200.db2.gz MFLKXPABSQURHB-QMMMGPOBSA-N 0 0 180.272 2.893 10 0 AFAERN Cc1ccc2c(c1)C(=O)CC[C@@H](C)N2 257863791 573745191 /nfs/dbraw/zinc/74/51/91/573745191.db2.gz RPAJXTRIXLZMDU-SECBINFHSA-N 0 0 189.258 2.772 10 0 AFAERN C[C@]12CC(=O)[C@H]1CC1=C2CCCC1 238500498 573745159 /nfs/dbraw/zinc/74/51/59/573745159.db2.gz PPNKPJCNSARBCX-ZYHUDNBSSA-N 0 0 176.259 2.856 10 0 AFAERN CCCOCCCn1c(C)ccc1C 131049364 573745048 /nfs/dbraw/zinc/74/50/48/573745048.db2.gz PATVJSHKIRNENT-UHFFFAOYSA-N 0 0 195.306 2.922 10 0 AFAERN Cn1cc(Cl)c2c(C=O)cccc21 108303553 573747000 /nfs/dbraw/zinc/74/70/00/573747000.db2.gz UQMKZYDFZWBFGC-UHFFFAOYSA-N 0 0 193.633 2.644 10 0 AFAERN Nc1ccc([C@@H]2CCCSC2)cc1 257863754 573746593 /nfs/dbraw/zinc/74/65/93/573746593.db2.gz RNQZLSUVZVPTKH-SNVBAGLBSA-N 0 0 193.315 2.879 10 0 AFAERN COc1cc(C)cc(Cl)c1C(C)=O 214954022 573746657 /nfs/dbraw/zinc/74/66/57/573746657.db2.gz NZYMRNDOODABQH-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN Cc1cc(C)c2sccc(=O)c2c1 238501459 573746723 /nfs/dbraw/zinc/74/67/23/573746723.db2.gz JXXXTQJANPOHHC-UHFFFAOYSA-N 0 0 190.267 2.878 10 0 AFAERN CC(=O)C1C[C@@H]2CC=CC[C@H]2C1 238075855 573746739 /nfs/dbraw/zinc/74/67/39/573746739.db2.gz GIZPCPKSOBARBQ-UWVGGRQHSA-N 0 0 164.248 2.568 10 0 AFAERN CCC[C@@H](C)N(C)C(=O)OC(C)C 127013055 573746784 /nfs/dbraw/zinc/74/67/84/573746784.db2.gz SNWOVCCYDSKEFH-SECBINFHSA-N 0 0 187.283 2.652 10 0 AFAERN Cc1sc2ncc(Cl)cc2c1N 238500597 573746844 /nfs/dbraw/zinc/74/68/44/573746844.db2.gz ILVBZJRDAMIVHK-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN CCCC[C@H](CC)[C@H](CCC)NN 127006236 573746855 /nfs/dbraw/zinc/74/68/55/573746855.db2.gz PJIAKSKIKIRFEP-QWRGUYRKSA-N 0 0 186.343 2.835 10 0 AFAERN Fc1ccc2c(c1)CC[C@H](C1CC1)N2 108301645 573746890 /nfs/dbraw/zinc/74/68/90/573746890.db2.gz PTDRWWCQBHDDOW-LLVKDONJSA-N 0 0 191.249 2.962 10 0 AFAERN CC(=O)c1cccc2c(C)snc12 108301683 573746985 /nfs/dbraw/zinc/74/69/85/573746985.db2.gz NHHWLAXJNSZHFX-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN CN(C)c1cccc2nc(Cl)oc12 108307535 573748906 /nfs/dbraw/zinc/74/89/06/573748906.db2.gz CURAHFNAFWODPA-UHFFFAOYSA-N 0 0 196.637 2.547 10 0 AFAERN CC(C)=C/C=C(\CO)C(C)C 143355333 573749852 /nfs/dbraw/zinc/74/98/52/573749852.db2.gz KSLUZZGREJITQP-UXBLZVDNSA-N 0 0 154.253 2.527 10 0 AFAERN C[C@H]1N[C@@H](c2ccccc2)CCS1 238497163 573749885 /nfs/dbraw/zinc/74/98/85/573749885.db2.gz WYOMAQNGHGMJKI-GXSJLCMTSA-N 0 0 193.315 2.800 10 0 AFAERN Cc1cc(Cl)cc([C@@H](C)CO)c1 258116126 573748499 /nfs/dbraw/zinc/74/84/99/573748499.db2.gz QDGHXVPTAMZERD-QMMMGPOBSA-N 0 0 184.666 2.744 10 0 AFAERN CC(C)c1nc(N)oc1C(C)C 258421789 573748575 /nfs/dbraw/zinc/74/85/75/573748575.db2.gz BZJWPGRXMWTPLZ-UHFFFAOYSA-N 0 0 168.240 2.504 10 0 AFAERN CCCC[C@@H](CC)[C@H](CCC)NN 127005992 573748650 /nfs/dbraw/zinc/74/86/50/573748650.db2.gz PJIAKSKIKIRFEP-MNOVXSKESA-N 0 0 186.343 2.835 10 0 AFAERN C/C=C/c1cc2ccccc2[nH]c1=O 197704954 573748651 /nfs/dbraw/zinc/74/86/51/573748651.db2.gz YZFANRXFRVUGRZ-GORDUTHDSA-N 0 0 185.226 2.561 10 0 AFAERN Cc1ccc2c(c1)C(=O)CC[C@H](C)N2 257863792 573748801 /nfs/dbraw/zinc/74/88/01/573748801.db2.gz RPAJXTRIXLZMDU-VIFPVBQESA-N 0 0 189.258 2.772 10 0 AFAERN Cc1c(C)c2c(c(C)c1O)CC=CO2 238497066 573748833 /nfs/dbraw/zinc/74/88/33/573748833.db2.gz LNICPQXIEBEKCI-UHFFFAOYSA-N 0 0 190.242 2.766 10 0 AFAERN Cc1nc2cc(N)c(Cl)cc2s1 238497365 573748848 /nfs/dbraw/zinc/74/88/48/573748848.db2.gz XSOSXROXRQEGBY-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN CSc1ccc([C@@H](C)O)cc1C 258116171 573748864 /nfs/dbraw/zinc/74/88/64/573748864.db2.gz QEGDIWDNIDRGSD-MRVPVSSYSA-N 0 0 182.288 2.770 10 0 AFAERN C[C@H]1N[C@@H](c2ccsc2)CCS1 238497326 573748987 /nfs/dbraw/zinc/74/89/87/573748987.db2.gz VQESADRFLUUPBR-IONNQARKSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@]12C=CCC[C@@H]1CCCC2=O 238498303 573749020 /nfs/dbraw/zinc/74/90/20/573749020.db2.gz JTWNOHYBBIKOOX-KOLCDFICSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)[C@H]1Cc2cccc(Cl)c2C1 108304405 573749062 /nfs/dbraw/zinc/74/90/62/573749062.db2.gz UCVRZIAMDVBDFZ-VIFPVBQESA-N 0 0 194.661 2.644 10 0 AFAERN CCC[C@@H](NN)c1sccc1CC 126989249 573749065 /nfs/dbraw/zinc/74/90/65/573749065.db2.gz QXHUYCZTZBSNHK-SECBINFHSA-N 0 0 198.335 2.615 10 0 AFAERN CC(=O)Nc1c(C)ccc(C)c1Cl 238067301 573749166 /nfs/dbraw/zinc/74/91/66/573749166.db2.gz ARBKFDZCFBKJDH-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN Cc1ccc2c3c1NC[C@H]3CCC2 238496576 573749326 /nfs/dbraw/zinc/74/93/26/573749326.db2.gz CTKZNMZNNQMLBN-SNVBAGLBSA-N 0 0 173.259 2.840 10 0 AFAERN CC(=O)c1cc(C)c(Cl)c(O)c1C 214953743 573749351 /nfs/dbraw/zinc/74/93/51/573749351.db2.gz KLEYFEQTZDQEFU-UHFFFAOYSA-N 0 0 198.649 2.865 10 0 AFAERN CC(=O)C[C@@H]1CCC[C@@H]1C(F)(F)F 108303653 573749380 /nfs/dbraw/zinc/74/93/80/573749380.db2.gz OZBSTEGQDNYPKW-YUMQZZPRSA-N 0 0 194.196 2.944 10 0 AFAERN Cc1ccc2c3c(cccc13)C[C@H]2O 238496863 573749435 /nfs/dbraw/zinc/74/94/35/573749435.db2.gz CTRPTQAOTLZNIC-GFCCVEGCSA-N 0 0 184.238 2.738 10 0 AFAERN Cc1c(F)cc([C@@H](C)O)cc1Cl 258116283 573749450 /nfs/dbraw/zinc/74/94/50/573749450.db2.gz QFZOFFGVPLRUGG-ZCFIWIBFSA-N 0 0 188.629 2.841 10 0 AFAERN CCC[C@H](O)[C@@H]1CCCCCCC1=O 143348664 573749917 /nfs/dbraw/zinc/74/99/17/573749917.db2.gz ROCVJKLXBTZCJG-QWRGUYRKSA-N 0 0 198.306 2.687 10 0 AFAERN OCC[C@H]1CCC[C@H](C(F)(F)F)C1 108306169 573749618 /nfs/dbraw/zinc/74/96/18/573749618.db2.gz XUVSAOCLDJRLQG-SFYZADRCSA-N 0 0 196.212 2.738 10 0 AFAERN C[C@H](O)Cc1ccccc1C(C)(C)F 258116197 573749639 /nfs/dbraw/zinc/74/96/39/573749639.db2.gz QETAUJRLEVXBKY-VIFPVBQESA-N 0 0 196.265 2.815 10 0 AFAERN CCC[C@H](NN)c1c(C)oc(C)c1C 126995531 573749645 /nfs/dbraw/zinc/74/96/45/573749645.db2.gz XGMNMUAPRIHJSY-JTQLQIEISA-N 0 0 196.294 2.509 10 0 AFAERN Fc1ncccc1[C@H]1CCCOCC1 143335932 573749653 /nfs/dbraw/zinc/74/96/53/573749653.db2.gz HIULQSCOIRFFSL-VIFPVBQESA-N 0 0 195.237 2.505 10 0 AFAERN C/C=C/[C@H]1C[C@H](/C=C/C)N=N1 238062635 573749740 /nfs/dbraw/zinc/74/97/40/573749740.db2.gz YXEMIGMXJXXMEE-NYDMHHSESA-N 0 0 150.225 2.732 10 0 AFAERN Cc1cc2c(C)cc(F)cc2[nH]1 238498222 573749752 /nfs/dbraw/zinc/74/97/52/573749752.db2.gz UMRMYCZPPDYDBI-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN Cc1ccc2cccc3c2c1C[C@@H]3O 238497542 573749769 /nfs/dbraw/zinc/74/97/69/573749769.db2.gz RWFBQBCCJMMHQY-LBPRGKRZSA-N 0 0 184.238 2.738 10 0 AFAERN C/C=C/c1ccc(/C=C/CO)cc1 238067821 573749780 /nfs/dbraw/zinc/74/97/80/573749780.db2.gz AMIGXJFRQDXEHG-ZUVMSYQZSA-N 0 0 174.243 2.725 10 0 AFAERN CC(=O)C[C@@H]1CCC[C@H]1C(F)(F)F 108303657 573749781 /nfs/dbraw/zinc/74/97/81/573749781.db2.gz OZBSTEGQDNYPKW-JGVFFNPUSA-N 0 0 194.196 2.944 10 0 AFAERN Cc1c2occcc-2c(N)c1C 238498978 573753120 /nfs/dbraw/zinc/75/31/20/573753120.db2.gz KELABOSHZFWUFB-UHFFFAOYSA-N 0 0 161.204 2.583 10 0 AFAERN Cc1oc2cc(CO)ccc2c1C 143443565 573751624 /nfs/dbraw/zinc/75/16/24/573751624.db2.gz LFBYXDZGJAGPPB-UHFFFAOYSA-N 0 0 176.215 2.542 10 0 AFAERN CC(=O)Nc1c(C)cc(C)c(F)c1C 238066673 573751657 /nfs/dbraw/zinc/75/16/57/573751657.db2.gz ZADMGVREYCBHOU-UHFFFAOYSA-N 0 0 195.237 2.709 10 0 AFAERN Fc1cc(F)c(-n2cccc2)c(F)c1 84057271 573751661 /nfs/dbraw/zinc/75/16/61/573751661.db2.gz XDQMANYUGOJQSY-UHFFFAOYSA-N 0 0 197.159 2.895 10 0 AFAERN CCC[C@@H](O)[C@@H]1CCCCCCC1=O 143348858 573751687 /nfs/dbraw/zinc/75/16/87/573751687.db2.gz ROCVJKLXBTZCJG-WDEREUQCSA-N 0 0 198.306 2.687 10 0 AFAERN Cc1ccccc1[C@]1(C)CCC1=O 238497792 573751694 /nfs/dbraw/zinc/75/16/94/573751694.db2.gz ITLFMOMGBCBIGX-LBPRGKRZSA-N 0 0 174.243 2.616 10 0 AFAERN OCC[C@H]1CCCC[C@H]1C(F)(F)F 108306161 573751695 /nfs/dbraw/zinc/75/16/95/573751695.db2.gz WYKKVVMUYLNXBS-HTQZYQBOSA-N 0 0 196.212 2.738 10 0 AFAERN Cc1ccc2c(c1)CC=CCN2 238498179 573751759 /nfs/dbraw/zinc/75/17/59/573751759.db2.gz BMIRKQBCKGDCJB-UHFFFAOYSA-N 0 0 159.232 2.519 10 0 AFAERN COc1c[nH]c2ccc(Cl)cc12 143304068 573751774 /nfs/dbraw/zinc/75/17/74/573751774.db2.gz HWPPVHWKUYEFTE-UHFFFAOYSA-N 0 0 181.622 2.830 10 0 AFAERN Cc1ccc2c3c(cccc13)C[C@@H]2O 238496825 573751801 /nfs/dbraw/zinc/75/18/01/573751801.db2.gz CTRPTQAOTLZNIC-LBPRGKRZSA-N 0 0 184.238 2.738 10 0 AFAERN CC(=O)Nc1c(C)c(C)cc(F)c1C 238066182 573751834 /nfs/dbraw/zinc/75/18/34/573751834.db2.gz KAMXVWMVNJDDGW-UHFFFAOYSA-N 0 0 195.237 2.709 10 0 AFAERN CC(=O)c1ccc([C@@H]2C[C@@H]2F)cc1 238068190 573753190 /nfs/dbraw/zinc/75/31/90/573753190.db2.gz BEBWVMFVFWGOCZ-QWRGUYRKSA-N 0 0 178.206 2.715 10 0 AFAERN OCCC1=C(C(F)(F)F)CCCC1 108303645 573752051 /nfs/dbraw/zinc/75/20/51/573752051.db2.gz IGOZBSDZSVXWQH-UHFFFAOYSA-N 0 0 194.196 2.802 10 0 AFAERN OCC[C@@H]1CCCC[C@H]1C(F)(F)F 108306156 573752105 /nfs/dbraw/zinc/75/21/05/573752105.db2.gz WYKKVVMUYLNXBS-JGVFFNPUSA-N 0 0 196.212 2.738 10 0 AFAERN Cc1c(Cl)[nH]c2cc(O)ccc12 257865810 573752132 /nfs/dbraw/zinc/75/21/32/573752132.db2.gz CGXVELNKKMKKNH-UHFFFAOYSA-N 0 0 181.622 2.835 10 0 AFAERN OCC[C@@H]1CCC[C@H](C(F)(F)F)C1 108306172 573752168 /nfs/dbraw/zinc/75/21/68/573752168.db2.gz XUVSAOCLDJRLQG-YUMQZZPRSA-N 0 0 196.212 2.738 10 0 AFAERN CCC[C@@H](CC)C(=O)CC 143340194 573752177 /nfs/dbraw/zinc/75/21/77/573752177.db2.gz NUXBVHVQVWGZIT-MRVPVSSYSA-N 0 0 142.242 2.792 10 0 AFAERN CCc1cc(F)c(CC)cc1O 143331254 573752186 /nfs/dbraw/zinc/75/21/86/573752186.db2.gz XHXGBSFWDTWZQA-UHFFFAOYSA-N 0 0 168.211 2.656 10 0 AFAERN CCC[C@@H](O)[C@H]1CCCCCCC1=O 143349285 573752195 /nfs/dbraw/zinc/75/21/95/573752195.db2.gz ROCVJKLXBTZCJG-GHMZBOCLSA-N 0 0 198.306 2.687 10 0 AFAERN CCCc1cccc([C@H](C)O)c1 143312856 573752318 /nfs/dbraw/zinc/75/23/18/573752318.db2.gz HNPNDFVBBBNYAK-VIFPVBQESA-N 0 0 164.248 2.692 10 0 AFAERN C[C@]12C=CC[C@]13CCCCC(=O)[C@H]32 238498599 573752325 /nfs/dbraw/zinc/75/23/25/573752325.db2.gz KSQSJAKGHCVTHO-TUAOUCFPSA-N 0 0 176.259 2.712 10 0 AFAERN Cc1cc(Cl)c(N)nc1C(F)F 238498949 573752385 /nfs/dbraw/zinc/75/23/85/573752385.db2.gz IPVMXUXWQTYOTN-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCCc1cccc([C@@H](C)O)c1 143312641 573752386 /nfs/dbraw/zinc/75/23/86/573752386.db2.gz HNPNDFVBBBNYAK-SECBINFHSA-N 0 0 164.248 2.692 10 0 AFAERN CSc1cnc2[nH]c(C)c(C)c2c1 143437842 573752444 /nfs/dbraw/zinc/75/24/44/573752444.db2.gz ZDUAJSVUZOUVGC-UHFFFAOYSA-N 0 0 192.287 2.902 10 0 AFAERN C=C=C(CC(C)=O)c1ccccc1 238079278 573752449 /nfs/dbraw/zinc/75/24/49/573752449.db2.gz LURYALLTUQJJLO-UHFFFAOYSA-N 0 0 172.227 2.834 10 0 AFAERN CC(=O)[C@@H]1Cc2cccc(Cl)c2C1 108304402 573752476 /nfs/dbraw/zinc/75/24/76/573752476.db2.gz UCVRZIAMDVBDFZ-SECBINFHSA-N 0 0 194.661 2.644 10 0 AFAERN CC(=O)c1ccc([C@H]2C[C@@H]2F)cc1 238068477 573752488 /nfs/dbraw/zinc/75/24/88/573752488.db2.gz BEBWVMFVFWGOCZ-MNOVXSKESA-N 0 0 178.206 2.715 10 0 AFAERN CC(=O)C[C@H]1CCC[C@@H]1C(F)(F)F 108303654 573752493 /nfs/dbraw/zinc/75/24/93/573752493.db2.gz OZBSTEGQDNYPKW-SFYZADRCSA-N 0 0 194.196 2.944 10 0 AFAERN C[C@]12CC=C3CCC[C@@H](C(=O)C1)[C@@H]32 238504923 573752494 /nfs/dbraw/zinc/75/24/94/573752494.db2.gz SYPZXWQMRKEMGW-WCQGTBRESA-N 0 0 176.259 2.712 10 0 AFAERN CC(C)(C)c1ccc([C@H](F)CO)cc1 108306376 573752508 /nfs/dbraw/zinc/75/25/08/573752508.db2.gz CAHZVUOZVXXJTL-LLVKDONJSA-N 0 0 196.265 2.987 10 0 AFAERN CC(=O)[C@H]1C=C(C)CC1(C)C 238068610 573752511 /nfs/dbraw/zinc/75/25/11/573752511.db2.gz YWOGDTMUFIXMSL-SECBINFHSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1ccc2c(c1)SCC[C@@H]2O 238504884 573752643 /nfs/dbraw/zinc/75/26/43/573752643.db2.gz CEIUABWTYPODQD-VIFPVBQESA-N 0 0 180.272 2.524 10 0 AFAERN Cc1c2ccocc-2c(N)c1C 238498828 573752659 /nfs/dbraw/zinc/75/26/59/573752659.db2.gz IWAAHFHIFROOME-UHFFFAOYSA-N 0 0 161.204 2.583 10 0 AFAERN CCCCC[C@@H]1NC(=O)C1(CC)CC 308705319 573752668 /nfs/dbraw/zinc/75/26/68/573752668.db2.gz WPSVINFTCHFJRO-JTQLQIEISA-N 0 0 197.322 2.872 10 0 AFAERN Cc1[nH]c2cc(F)c(F)cc2c1C=O 257873632 573752838 /nfs/dbraw/zinc/75/28/38/573752838.db2.gz UCLGUDJSVXRNHZ-UHFFFAOYSA-N 0 0 195.168 2.567 10 0 AFAERN CC(=O)c1ccc([C@@H]2C[C@H]2F)cc1 238068222 573752954 /nfs/dbraw/zinc/75/29/54/573752954.db2.gz BEBWVMFVFWGOCZ-WDEREUQCSA-N 0 0 178.206 2.715 10 0 AFAERN Cc1c(F)ncc(F)c1C(F)F 238498734 573753063 /nfs/dbraw/zinc/75/30/63/573753063.db2.gz JYPHRZPBSVICLR-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN CC(C)n1[nH]c(=O)cc1C1CCCC1 257866494 573758212 /nfs/dbraw/zinc/75/82/12/573758212.db2.gz SCKMPXQMKQJBLK-UHFFFAOYSA-N 0 0 194.278 2.827 10 0 AFAERN Nc1cc(-c2ccccc2Cl)c[nH]1 258119987 573758763 /nfs/dbraw/zinc/75/87/63/573758763.db2.gz MPBFZGVCOAVCBU-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN COc1cccc2cc(C)cc(N)c12 224652999 573758761 /nfs/dbraw/zinc/75/87/61/573758761.db2.gz OCAJEMOCLWJVCB-UHFFFAOYSA-N 0 0 187.242 2.739 10 0 AFAERN Cc1cc2c(O)ccc(C)c2nc1C 238505171 573757601 /nfs/dbraw/zinc/75/76/01/573757601.db2.gz KZYOPXCPWRPSCZ-UHFFFAOYSA-N 0 0 187.242 2.866 10 0 AFAERN Cc1cc([C@@H]2CCCC(=O)C2)ccn1 238506362 573757698 /nfs/dbraw/zinc/75/76/98/573757698.db2.gz YMSGBIDWKOWUSA-SNVBAGLBSA-N 0 0 189.258 2.617 10 0 AFAERN COCCCC[C@@H]1CCCCC1=O 130978545 573757700 /nfs/dbraw/zinc/75/77/00/573757700.db2.gz KGSNBEJYPGQOCI-JTQLQIEISA-N 0 0 184.279 2.562 10 0 AFAERN Cc1c[nH]c(C(F)F)c(Cl)c1=O 238505720 573757879 /nfs/dbraw/zinc/75/78/79/573757879.db2.gz XUTBTBZUELLSNK-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1cccc([C@@H]2CCC(=O)C2)c1F 238505806 573757957 /nfs/dbraw/zinc/75/79/57/573757957.db2.gz HQAXHJWIUDEJQX-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN COCCCC[C@H]1CCCCC1=O 130978766 573758102 /nfs/dbraw/zinc/75/81/02/573758102.db2.gz KGSNBEJYPGQOCI-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CC(=O)c1oc2ccc(O)cc2c1C 238077977 573758146 /nfs/dbraw/zinc/75/81/46/573758146.db2.gz OJMAZLUEFIBQSF-UHFFFAOYSA-N 0 0 190.198 2.649 10 0 AFAERN C[C@@H]1c2ccccc2Nc2[nH+]ccn21 143433629 573758168 /nfs/dbraw/zinc/75/81/68/573758168.db2.gz AUSKXIFOQRXKSR-MRVPVSSYSA-N 0 0 185.230 2.549 10 0 AFAERN Cc1cc2c(C3(O)CC3)cccc2o1 258121144 573758273 /nfs/dbraw/zinc/75/82/73/573758273.db2.gz QMZPZDHUSFMBIT-UHFFFAOYSA-N 0 0 188.226 2.723 10 0 AFAERN COc1cc(C)cc(OC(C)C)c1 143448805 573758332 /nfs/dbraw/zinc/75/83/32/573758332.db2.gz CFFZRTFUJSNMMQ-UHFFFAOYSA-N 0 0 180.247 2.791 10 0 AFAERN Cc1cccc([C@@H]2CCCC(=O)C2)n1 238506324 573758378 /nfs/dbraw/zinc/75/83/78/573758378.db2.gz HBVYAVZFOJDPLM-SNVBAGLBSA-N 0 0 189.258 2.617 10 0 AFAERN COCCCC[C@@H]1C[C@@H](C)CCC1=O 130980051 573758406 /nfs/dbraw/zinc/75/84/06/573758406.db2.gz AMKQDLBLNDHLPJ-WDEREUQCSA-N 0 0 198.306 2.808 10 0 AFAERN Cc1cc(C)c(SCCO)cc1C 259183621 573758412 /nfs/dbraw/zinc/75/84/12/573758412.db2.gz XLIUMCQCURHPDS-UHFFFAOYSA-N 0 0 196.315 2.696 10 0 AFAERN O=C1CC[C@@H](c2ncccc2Cl)C1 238506477 573758429 /nfs/dbraw/zinc/75/84/29/573758429.db2.gz DAMKBSWGFRHRSO-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1cc(C(F)F)c(F)nc1C 238506129 573758450 /nfs/dbraw/zinc/75/84/50/573758450.db2.gz DDSMJLJWCQJRDZ-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Nc1sccc1-c1ccc(O)cc1 258117045 573758494 /nfs/dbraw/zinc/75/84/94/573758494.db2.gz MAAGBCZFBRFOKZ-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN O=C1CC[C@H]2CCCC[C@@]12Cl 238505598 573758526 /nfs/dbraw/zinc/75/85/26/573758526.db2.gz ZISYSVSNAMPDHO-APPZFPTMSA-N 0 0 172.655 2.517 10 0 AFAERN Cc1cnc(C(F)F)c(Cl)c1N 238505664 573758575 /nfs/dbraw/zinc/75/85/75/573758575.db2.gz CFDNLYGUYYJRQQ-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC(=O)Nc1ccc(C)c(Cl)c1C 238080848 573758605 /nfs/dbraw/zinc/75/86/05/573758605.db2.gz FUPNNOQTAVSFKA-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN Clc1ccccc1-c1nncs1 238505136 573758635 /nfs/dbraw/zinc/75/86/35/573758635.db2.gz IBKQZVGQVDHHNV-UHFFFAOYSA-N 0 0 196.662 2.859 10 0 AFAERN Cc1cc(C)cc(OC2CC2)c1 238505158 573758655 /nfs/dbraw/zinc/75/86/55/573758655.db2.gz PBHUDACYEMOFEP-UHFFFAOYSA-N 0 0 162.232 2.845 10 0 AFAERN Cc1c(N)ncc(C2CC2)c1Cl 238506251 573758724 /nfs/dbraw/zinc/75/87/24/573758724.db2.gz BQFYRSBYWVQZEW-UHFFFAOYSA-N 0 0 182.654 2.503 10 0 AFAERN CC(C)=C1C=C[C@](C)(CO)CC1 143419174 573758791 /nfs/dbraw/zinc/75/87/91/573758791.db2.gz YBGCGAZYCRCNNH-NSHDSACASA-N 0 0 166.264 2.671 10 0 AFAERN C[C@]12CCC=CC1=CCCC2=O 238505255 573758794 /nfs/dbraw/zinc/75/87/94/573758794.db2.gz ONMXKAMBOPPENS-NSHDSACASA-N 0 0 162.232 2.632 10 0 AFAERN Cc1cc(C(F)F)c(F)nc1F 238506425 573758854 /nfs/dbraw/zinc/75/88/54/573758854.db2.gz BJRWOFRPXULDQB-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN CNc1ccc(N(C)CC(C)C)cc1 259183583 573758867 /nfs/dbraw/zinc/75/88/67/573758867.db2.gz HROJZMQSSKRUOV-UHFFFAOYSA-N 0 0 192.306 2.821 10 0 AFAERN C[C@]12CCC=CC[C@@H]1C(=O)CC2 238505275 573758903 /nfs/dbraw/zinc/75/89/03/573758903.db2.gz DZAREWQQQJVIHU-MWLCHTKSSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@]12CCC=C[C@H]1CCC[C@@H]2O 238505556 573758922 /nfs/dbraw/zinc/75/89/22/573758922.db2.gz KTJLNRYKYCWVGO-DCAQKATOSA-N 0 0 166.264 2.504 10 0 AFAERN Cc1ccc(C)c(S[C@H](C)CO)c1 143444207 573758923 /nfs/dbraw/zinc/75/89/23/573758923.db2.gz MJMAOUGSNCJFQU-SNVBAGLBSA-N 0 0 196.315 2.776 10 0 AFAERN COCCCC[C@@H](C(C)=O)C(C)C 130983497 573758977 /nfs/dbraw/zinc/75/89/77/573758977.db2.gz XFRRSBJPXAQWMZ-LLVKDONJSA-N 0 0 186.295 2.664 10 0 AFAERN C[C@@]1(C2CCCCCC2)COC(=O)C1 257867437 573759046 /nfs/dbraw/zinc/75/90/46/573759046.db2.gz SIZSNVPMBYDUEB-LBPRGKRZSA-N 0 0 196.290 2.910 10 0 AFAERN Cc1cnc(C(F)F)c(F)c1C 238505833 573759048 /nfs/dbraw/zinc/75/90/48/573759048.db2.gz LEYWIIOBVGSTFK-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN CCOCc1ccc(Cl)c(O)c1 258120038 573759165 /nfs/dbraw/zinc/75/91/65/573759165.db2.gz MPRVNLNEUQROCL-UHFFFAOYSA-N 0 0 186.638 2.582 10 0 AFAERN CCc1cc(C)c(C)c([C@H](C)O)c1 258120321 573759311 /nfs/dbraw/zinc/75/93/11/573759311.db2.gz ZYQIFWXNIKXWNB-JTQLQIEISA-N 0 0 178.275 2.919 10 0 AFAERN COc1ccc2c(F)ccc(N)c2c1 259620232 573759378 /nfs/dbraw/zinc/75/93/78/573759378.db2.gz FDPACABLANDRIO-UHFFFAOYSA-N 0 0 191.205 2.570 10 0 AFAERN COSc1ccc(C)c(C)c1 259184360 573759413 /nfs/dbraw/zinc/75/94/13/573759413.db2.gz ISAOVMRVDQYDGP-UHFFFAOYSA-N 0 0 168.261 2.957 10 0 AFAERN C[C@]1(C2CCCCCC2)COC(=O)C1 257867433 573759419 /nfs/dbraw/zinc/75/94/19/573759419.db2.gz SIZSNVPMBYDUEB-GFCCVEGCSA-N 0 0 196.290 2.910 10 0 AFAERN CCCCc1cnc(NC)s1 258914639 573759451 /nfs/dbraw/zinc/75/94/51/573759451.db2.gz WCCDGWXNRPEGTA-UHFFFAOYSA-N 0 0 170.281 2.527 10 0 AFAERN COCCCC[C@H]1CCCCCC1=O 130979589 573759454 /nfs/dbraw/zinc/75/94/54/573759454.db2.gz PROUXLNAGPSTCL-LLVKDONJSA-N 0 0 198.306 2.953 10 0 AFAERN Cc1ncsc1CCC(F)(F)F 238505852 573759521 /nfs/dbraw/zinc/75/95/21/573759521.db2.gz FHFYYGVTLDPLNX-UHFFFAOYSA-N 0 0 195.209 2.946 10 0 AFAERN Cc1cccc([C@@H]2CCCC2=O)c1O 238506507 573759592 /nfs/dbraw/zinc/75/95/92/573759592.db2.gz ABCKMTHZPUTZMG-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN CC(C)(C)Oc1ccc2c(c1)CCN2 258120205 573759680 /nfs/dbraw/zinc/75/96/80/573759680.db2.gz TYPVGSVFNZIDLE-UHFFFAOYSA-N 0 0 191.274 2.832 10 0 AFAERN C/C=C1/CC[C@@]2(CO)[C@H]1[C@H]1CCC[C@H]12 238077621 573759726 /nfs/dbraw/zinc/75/97/26/573759726.db2.gz VPXCWUXLSVXVCD-IGBALITRSA-N 0 0 192.302 2.751 10 0 AFAERN C[C@H]1c2ccccc2Nc2[nH+]ccn21 143433821 573759830 /nfs/dbraw/zinc/75/98/30/573759830.db2.gz AUSKXIFOQRXKSR-QMMMGPOBSA-N 0 0 185.230 2.549 10 0 AFAERN Cc1cc(Cl)cc2c1NC(=O)CC2 238505953 573759834 /nfs/dbraw/zinc/75/98/34/573759834.db2.gz SMAURFXCYPLSTM-UHFFFAOYSA-N 0 0 195.649 2.533 10 0 AFAERN CC[C@H]1Cc2ccc(F)cc2N1 108332088 573762840 /nfs/dbraw/zinc/76/28/40/573762840.db2.gz CWQXIIWYNQLSHV-VIFPVBQESA-N 0 0 165.211 2.572 10 0 AFAERN CC(=O)[C@H]1CC[C@H]2CCCC=C12 238090424 573762841 /nfs/dbraw/zinc/76/28/41/573762841.db2.gz NGVSOCRWSDFZAN-NXEZZACHSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@@H]1Cc2cc(F)ccc2N1 108332091 573762848 /nfs/dbraw/zinc/76/28/48/573762848.db2.gz FUSSNBLPNFAORV-SECBINFHSA-N 0 0 165.211 2.572 10 0 AFAERN CC(=O)CC1(Nc2ccccc2)CC1 238090023 573762851 /nfs/dbraw/zinc/76/28/51/573762851.db2.gz QHCINKLPVVWZLC-UHFFFAOYSA-N 0 0 189.258 2.610 10 0 AFAERN c1ccn2ccc(NCC3CC3)c2c1 238090221 573763516 /nfs/dbraw/zinc/76/35/16/573763516.db2.gz GZVPUOVNKLPWGG-UHFFFAOYSA-N 0 0 186.258 2.761 10 0 AFAERN Cc1csc(N[C@@H]2CC=CCC2)n1 84080428 573760720 /nfs/dbraw/zinc/76/07/20/573760720.db2.gz MAADECMQJCENPJ-SECBINFHSA-N 0 0 194.303 2.972 10 0 AFAERN Clc1cccnc1[C@@H]1CCCCO1 238506565 573760724 /nfs/dbraw/zinc/76/07/24/573760724.db2.gz FPLFRUNFMKENKA-VIFPVBQESA-N 0 0 197.665 2.977 10 0 AFAERN CCSCCCn1cccc1 131122945 573760831 /nfs/dbraw/zinc/76/08/31/573760831.db2.gz ABSSTUOCXPVOID-UHFFFAOYSA-N 0 0 169.293 2.631 10 0 AFAERN Cc1cc2c(O)cccc2nc1Cl 238505297 573760873 /nfs/dbraw/zinc/76/08/73/573760873.db2.gz OGLAUWJTZYXYON-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN Cc1cnc(C(F)F)c(Cl)c1 238505155 573760924 /nfs/dbraw/zinc/76/09/24/573760924.db2.gz PRYUGCWOZWLILH-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN C[C@]12CCC=CC1=CCC(=O)C2 238505235 573760968 /nfs/dbraw/zinc/76/09/68/573760968.db2.gz SBRVKNAVGDLBPP-LLVKDONJSA-N 0 0 162.232 2.632 10 0 AFAERN CC[C@@H]1Cc2cccc(F)c2N1 108332082 573761000 /nfs/dbraw/zinc/76/10/00/573761000.db2.gz OSJXTBAKACHUBJ-MRVPVSSYSA-N 0 0 165.211 2.572 10 0 AFAERN CC[C@H]1Cc2c(F)cccc2N1 108332098 573761028 /nfs/dbraw/zinc/76/10/28/573761028.db2.gz TYAVGTAMWYYSEC-ZETCQYMHSA-N 0 0 165.211 2.572 10 0 AFAERN CC(C)c1cc2cc(N)ccc2[nH]1 108334576 573761065 /nfs/dbraw/zinc/76/10/65/573761065.db2.gz VCWPLPJWTTUQIP-UHFFFAOYSA-N 0 0 174.247 2.874 10 0 AFAERN Cc1ccc(-c2cc(C=O)no2)s1 259184773 573761084 /nfs/dbraw/zinc/76/10/84/573761084.db2.gz JWNFNPDAGBQATA-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(=O)CC1=C(C)CC=CC=C1 238088730 573761215 /nfs/dbraw/zinc/76/12/15/573761215.db2.gz CXZCPDZBIUTJPL-UHFFFAOYSA-N 0 0 162.232 2.798 10 0 AFAERN CC[C@@H](O)[C@H]1CCC[C@@H](C)C1 122556021 573761312 /nfs/dbraw/zinc/76/13/12/573761312.db2.gz ADAKRBPCADLFLA-KXUCPTDWSA-N 0 0 156.269 2.584 10 0 AFAERN CC(=O)CC=C=Cc1ccccc1 238090506 573761348 /nfs/dbraw/zinc/76/13/48/573761348.db2.gz UXEGWMBRBMQEQR-UHFFFAOYSA-N 0 0 172.227 2.834 10 0 AFAERN C[C@H](O)C(F)(F)CC1CCCCC1 257869036 573761391 /nfs/dbraw/zinc/76/13/91/573761391.db2.gz SQRJPKICIQKELH-QMMMGPOBSA-N 0 0 192.249 2.973 10 0 AFAERN CC1=C2[C@H](CO)CC[C@@H](C)[C@H]2CC1 143458573 573761443 /nfs/dbraw/zinc/76/14/43/573761443.db2.gz VDHMTWXSPIWAMJ-DVVUODLYSA-N 0 0 180.291 2.751 10 0 AFAERN Fc1ccc2c(c1)N[C@H](C1CC1)C2 108334677 573761449 /nfs/dbraw/zinc/76/14/49/573761449.db2.gz WTVRMVHSOPQKCA-JTQLQIEISA-N 0 0 177.222 2.572 10 0 AFAERN CC(=O)CC1CC(C)=C(C)C1 238089636 573761467 /nfs/dbraw/zinc/76/14/67/573761467.db2.gz NESWOZSHLSQQBZ-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN CC(C)c1cc(F)c(F)c(CO)c1 258123795 573761476 /nfs/dbraw/zinc/76/14/76/573761476.db2.gz QUAKJSBCBINRFH-UHFFFAOYSA-N 0 0 186.201 2.581 10 0 AFAERN Cc1coc2c(C3(O)CC3)cccc12 258123996 573761525 /nfs/dbraw/zinc/76/15/25/573761525.db2.gz QXFZEMYYUKEGRK-UHFFFAOYSA-N 0 0 188.226 2.723 10 0 AFAERN COc1ccccc1CC(C)(F)F 258919311 573761546 /nfs/dbraw/zinc/76/15/46/573761546.db2.gz WKXKJAZNZXHQGL-UHFFFAOYSA-N 0 0 186.201 2.893 10 0 AFAERN CC(=O)c1coc(-c2cccs2)n1 258122594 573761559 /nfs/dbraw/zinc/76/15/59/573761559.db2.gz ORIDSVIGKZZKOZ-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN Cc1cc2cc(N)cc(C)c2o1 238507864 573761576 /nfs/dbraw/zinc/76/15/76/573761576.db2.gz SKIKYNISUBRRNZ-UHFFFAOYSA-N 0 0 161.204 2.632 10 0 AFAERN CC[C@@H](O)[C@@H]1CCC[C@@H](C)C1 122555809 573761589 /nfs/dbraw/zinc/76/15/89/573761589.db2.gz ADAKRBPCADLFLA-OPRDCNLKSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H](O)c1cc2c(Cl)cccc2[nH]1 258123335 573761615 /nfs/dbraw/zinc/76/16/15/573761615.db2.gz JPXULJFVXXAFMA-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN CC(C)C[C@]1(O)C[C@H]2CC[C@@H]1C2 98192686 573761618 /nfs/dbraw/zinc/76/16/18/573761618.db2.gz VPGSNCMKFLKRNQ-AXFHLTTASA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@H]1Cc2cc(F)ccc2N1 108332094 573761632 /nfs/dbraw/zinc/76/16/32/573761632.db2.gz FUSSNBLPNFAORV-VIFPVBQESA-N 0 0 165.211 2.572 10 0 AFAERN C[C@]12CCCCC[C@H]1CC(=O)C2 238508449 573761650 /nfs/dbraw/zinc/76/16/50/573761650.db2.gz QDUBQCGOONTUGL-GXSJLCMTSA-N 0 0 166.264 2.936 10 0 AFAERN CC(C)[C@H]1Cc2ccc(F)cc2N1 108334884 573761679 /nfs/dbraw/zinc/76/16/79/573761679.db2.gz YUOOPQRZTBRGHD-SNVBAGLBSA-N 0 0 179.238 2.818 10 0 AFAERN C[C@]12CCCC=C1CC[C@@H](O)C2 238507413 573763566 /nfs/dbraw/zinc/76/35/66/573763566.db2.gz HNBSSHYDFFUUDA-GHMZBOCLSA-N 0 0 166.264 2.648 10 0 AFAERN C[C@]12CCCCC[C@@H]1CC(=O)C2 238508327 573761832 /nfs/dbraw/zinc/76/18/32/573761832.db2.gz QDUBQCGOONTUGL-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN CC(=O)CC12C=CC(CC1)CC2 238088608 573761915 /nfs/dbraw/zinc/76/19/15/573761915.db2.gz AFFOISLEQBARGV-UHFFFAOYSA-N 0 0 164.248 2.712 10 0 AFAERN CC[C@H]1Cc2cccc(F)c2N1 108332083 573761928 /nfs/dbraw/zinc/76/19/28/573761928.db2.gz OSJXTBAKACHUBJ-QMMMGPOBSA-N 0 0 165.211 2.572 10 0 AFAERN Cc1cc2cc(F)c(C)cc2[nH]1 238507454 573761950 /nfs/dbraw/zinc/76/19/50/573761950.db2.gz PDDKZWQPDRUVAY-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN COCCCCCC(=O)C1CCCC1 130984983 573761961 /nfs/dbraw/zinc/76/19/61/573761961.db2.gz XMRLONZXQLMGLY-UHFFFAOYSA-N 0 0 198.306 2.953 10 0 AFAERN CC[C@@H]1Cc2ccc(F)cc2N1 108332086 573761988 /nfs/dbraw/zinc/76/19/88/573761988.db2.gz CWQXIIWYNQLSHV-SECBINFHSA-N 0 0 165.211 2.572 10 0 AFAERN Cc1cc(C)cc(Cc2c[nH]cn2)c1 143451376 573762096 /nfs/dbraw/zinc/76/20/96/573762096.db2.gz XAKJCVXEZMFEEO-UHFFFAOYSA-N 0 0 186.258 2.617 10 0 AFAERN c1ccc2c(c1)C[C@@H](C1CCC1)N2 108334567 573762127 /nfs/dbraw/zinc/76/21/27/573762127.db2.gz IJRZCIZEFIJDTB-LBPRGKRZSA-N 0 0 173.259 2.823 10 0 AFAERN C[C@]12C[C@@]1(C)C[C@@]1(C)C[C@@]1(C)C2=O 238507872 573762128 /nfs/dbraw/zinc/76/21/28/573762128.db2.gz OGFXRDKCNBQERQ-BKUVIOGVSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)(C)[C@H]1CCC(=O)C[C@H]1F 238089150 573762157 /nfs/dbraw/zinc/76/21/57/573762157.db2.gz HLPGAAUEIALSNZ-DTWKUNHWSA-N 0 0 172.243 2.740 10 0 AFAERN CCc1cc(C)c(C)c(CCCO)c1 258123870 573762173 /nfs/dbraw/zinc/76/21/73/573762173.db2.gz QVBMMCGQGVPDOC-UHFFFAOYSA-N 0 0 192.302 2.791 10 0 AFAERN Cc1cc2c(cc1O)CCC2(C)C 143468094 573762197 /nfs/dbraw/zinc/76/21/97/573762197.db2.gz OKKCURWDZCQUIQ-UHFFFAOYSA-N 0 0 176.259 2.924 10 0 AFAERN Clc1cccnc1[C@H]1CCCCO1 238506730 573762198 /nfs/dbraw/zinc/76/21/98/573762198.db2.gz FPLFRUNFMKENKA-SECBINFHSA-N 0 0 197.665 2.977 10 0 AFAERN COCCCCCC(=O)CC(C)C 130984347 573762199 /nfs/dbraw/zinc/76/21/99/573762199.db2.gz ZETALCKOGSUFGF-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CC(=O)CC12[C@H]3CC(C[C@H]31)C2(C)C 238090147 573762201 /nfs/dbraw/zinc/76/22/01/573762201.db2.gz DWWRZMKIFIOWCA-PYDJHFLYSA-N 0 0 178.275 2.648 10 0 AFAERN CC(=O)[C@@H]1CC=C(OC2CCC2)CC1 238089470 573762247 /nfs/dbraw/zinc/76/22/47/573762247.db2.gz PLJKULCCBIIWJZ-SNVBAGLBSA-N 0 0 194.274 2.829 10 0 AFAERN CO[C@H]1CCCC[C@@H]1CC(=O)C(C)C 308710239 573762253 /nfs/dbraw/zinc/76/22/53/573762253.db2.gz YHLLZTITALXIKR-PWSUYJOCSA-N 0 0 198.306 2.807 10 0 AFAERN CCC1(CC)[C@@H](C(=O)OC)C12CCC2 259566183 573762260 /nfs/dbraw/zinc/76/22/60/573762260.db2.gz ISVZWDLPCILFIM-SECBINFHSA-N 0 0 196.290 2.766 10 0 AFAERN Fc1cccc2c1C[C@H](C1CC1)N2 108334687 573763248 /nfs/dbraw/zinc/76/32/48/573763248.db2.gz HSIFAJZAYOCTAB-LLVKDONJSA-N 0 0 177.222 2.572 10 0 AFAERN C[C@@H](CO)c1ccc2occc2c1F 258123855 573762358 /nfs/dbraw/zinc/76/23/58/573762358.db2.gz QUUQXOVBWOXADM-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN Cc1ccc2c(C(C)(C)O)coc2c1 257870066 573762368 /nfs/dbraw/zinc/76/23/68/573762368.db2.gz IGEHNYWYFICHRX-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN C[C@]12CCCCC1=CCCC2=O 238508008 573762406 /nfs/dbraw/zinc/76/24/06/573762406.db2.gz PMLWQVCPJDIZKQ-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN C[C@]12CCCCCC[C@H]1CC2=O 238508218 573762414 /nfs/dbraw/zinc/76/24/14/573762414.db2.gz UAJBPLGKFYNWJU-ONGXEEELSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@H](O)c1cc2c(Cl)cccc2[nH]1 258123334 573762436 /nfs/dbraw/zinc/76/24/36/573762436.db2.gz JPXULJFVXXAFMA-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN Cc1cnc(C(F)F)c(N)c1Cl 238508122 573762487 /nfs/dbraw/zinc/76/24/87/573762487.db2.gz UWVDMBGKLHBFCH-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN COc1cc(N)cc2cc(F)ccc12 257869032 573762493 /nfs/dbraw/zinc/76/24/93/573762493.db2.gz SQHKVBWDMVQXRE-UHFFFAOYSA-N 0 0 191.205 2.570 10 0 AFAERN CC(=O)Nc1cccc(C=C(F)F)c1 238088324 573762555 /nfs/dbraw/zinc/76/25/55/573762555.db2.gz ALMOACXATAGATM-UHFFFAOYSA-N 0 0 197.184 2.882 10 0 AFAERN Clc1ccnc2cscc12 238507834 573762592 /nfs/dbraw/zinc/76/25/92/573762592.db2.gz ROCZWOZXMHFUHI-UHFFFAOYSA-N 0 0 169.636 2.950 10 0 AFAERN Cc1ccccc1-c1c[nH]cc1N 257868957 573762628 /nfs/dbraw/zinc/76/26/28/573762628.db2.gz AGMQQVWAYXPDRE-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN CCOC(=O)[C@@H]1CC[C@@H]2CCC[C@H]2C1 259620382 573762673 /nfs/dbraw/zinc/76/26/73/573762673.db2.gz NMHUCVSRMPJEMV-GARJFASQSA-N 0 0 196.290 2.766 10 0 AFAERN Cc1cc2cc(C=O)nc(Cl)c2o1 238506844 573762682 /nfs/dbraw/zinc/76/26/82/573762682.db2.gz RKLSODYFGBBIGT-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN CCC1(CC)[C@H](C(=O)OC)C12CCC2 259566186 573762733 /nfs/dbraw/zinc/76/27/33/573762733.db2.gz ISVZWDLPCILFIM-VIFPVBQESA-N 0 0 196.290 2.766 10 0 AFAERN c1cc(NCC2CC2)c2cc[nH]c2c1 238090173 573762775 /nfs/dbraw/zinc/76/27/75/573762775.db2.gz WCLKNYLNXWJCCY-UHFFFAOYSA-N 0 0 186.258 2.990 10 0 AFAERN CCC[C@H](O)C(=O)CC1(C)CCCC1 308709553 573762791 /nfs/dbraw/zinc/76/27/91/573762791.db2.gz XZBUWJHSVSUZBV-JTQLQIEISA-N 0 0 198.306 2.687 10 0 AFAERN Cc1cc2cc(CO)[nH]c2cc1Cl 238507165 573762795 /nfs/dbraw/zinc/76/27/95/573762795.db2.gz SEQSENGFIWLLEX-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CC(=O)[C@H]1C[C@@H]2CCCCC[C@@H]21 238091352 573762819 /nfs/dbraw/zinc/76/28/19/573762819.db2.gz LQHDZDQVDYPRPP-GARJFASQSA-N 0 0 166.264 2.792 10 0 AFAERN c1ccc2c(c1)C[C@H](C1CCC1)N2 108334564 573762957 /nfs/dbraw/zinc/76/29/57/573762957.db2.gz IJRZCIZEFIJDTB-GFCCVEGCSA-N 0 0 173.259 2.823 10 0 AFAERN CC(C)[C@H]1Cc2c(F)cccc2N1 108334889 573762965 /nfs/dbraw/zinc/76/29/65/573762965.db2.gz OMOCSVCTFYNKRZ-LLVKDONJSA-N 0 0 179.238 2.818 10 0 AFAERN CC(=O)c1cnc2c(c1)CCCCC2 257869023 573762996 /nfs/dbraw/zinc/76/29/96/573762996.db2.gz SPSNSOXBHCPIMG-UHFFFAOYSA-N 0 0 189.258 2.553 10 0 AFAERN C[S@](=O)c1cccc2ccsc12 238507416 573763100 /nfs/dbraw/zinc/76/31/00/573763100.db2.gz MIGPVCPNOPZDQQ-LBPRGKRZSA-N 0 0 196.296 2.639 10 0 AFAERN Cc1cc(Cl)cc2ccc(=O)oc12 238507866 573763117 /nfs/dbraw/zinc/76/31/17/573763117.db2.gz STTGHPBLDYASTJ-UHFFFAOYSA-N 0 0 194.617 2.755 10 0 AFAERN Fc1ccc2c(c1)C[C@H](C1CC1)N2 108334681 573763136 /nfs/dbraw/zinc/76/31/36/573763136.db2.gz CLMJPLLBTVEOPS-LLVKDONJSA-N 0 0 177.222 2.572 10 0 AFAERN CCC(C)(C)[C@@H](NN)C1CCCCC1 126975402 573763225 /nfs/dbraw/zinc/76/32/25/573763225.db2.gz KIOIQKDHMPHAQI-NSHDSACASA-N 0 0 198.354 2.835 10 0 AFAERN Cc1ccc2c(c1C)CCC[C@H]2O 238506759 573763246 /nfs/dbraw/zinc/76/32/46/573763246.db2.gz SCSXZOIXYNXRNH-GFCCVEGCSA-N 0 0 176.259 2.673 10 0 AFAERN CCOC(=O)[C@@H]1CC[C@@H]2CCC[C@@H]2C1 259620389 573763492 /nfs/dbraw/zinc/76/34/92/573763492.db2.gz NMHUCVSRMPJEMV-HBNTYKKESA-N 0 0 196.290 2.766 10 0 AFAERN C1=CC[C@H](n2cccc2)CC1 84080569 573763293 /nfs/dbraw/zinc/76/32/93/573763293.db2.gz YEWWIGFTLDOSEG-JTQLQIEISA-N 0 0 147.221 2.769 10 0 AFAERN Cc1cc(O)c([C@@H](C)O)cc1C(C)C 258124006 573763498 /nfs/dbraw/zinc/76/34/98/573763498.db2.gz QXJBEGZOGRGOTQ-SECBINFHSA-N 0 0 194.274 2.877 10 0 AFAERN C[C@]12CCCC=C1CC[C@H](O)C2 238507446 573763435 /nfs/dbraw/zinc/76/34/35/573763435.db2.gz HNBSSHYDFFUUDA-WDEREUQCSA-N 0 0 166.264 2.648 10 0 AFAERN CCC[C@@H](O)C(=O)CC1(C)CCCC1 308709556 573763436 /nfs/dbraw/zinc/76/34/36/573763436.db2.gz XZBUWJHSVSUZBV-SNVBAGLBSA-N 0 0 198.306 2.687 10 0 AFAERN CC[C@H]1CC[C@@H]([C@@H](O)CC)C1 122566414 573765859 /nfs/dbraw/zinc/76/58/59/573765859.db2.gz WQQQRNUNUXRBPJ-AEJSXWLSSA-N 0 0 156.269 2.584 10 0 AFAERN CCN1c2ccc(C)cc2NC[C@H]1C 258422621 573766926 /nfs/dbraw/zinc/76/69/26/573766926.db2.gz DXNVQCRNPPSFHV-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN CSCc1cc2c(O)cccc2[nH]1 258125290 573766931 /nfs/dbraw/zinc/76/69/31/573766931.db2.gz UQLFOVYIFWMXJG-UHFFFAOYSA-N 0 0 193.271 2.737 10 0 AFAERN CC(C)(C)N1Cc2ccsc2C1=O 238092644 573766932 /nfs/dbraw/zinc/76/69/32/573766932.db2.gz FHDXNHCUSMVVKS-UHFFFAOYSA-N 0 0 195.287 2.502 10 0 AFAERN Fc1cccc2c1N[C@H](C1CCC1)C2 108340677 573767072 /nfs/dbraw/zinc/76/70/72/573767072.db2.gz LKPDWLRWNKHSMJ-NSHDSACASA-N 0 0 191.249 2.962 10 0 AFAERN Nc1sccc1-c1cccc(O)c1 258122555 573764390 /nfs/dbraw/zinc/76/43/90/573764390.db2.gz MRFXQNZMTJVNEJ-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN C[S@](=O)c1cccc2sccc12 238507435 573764407 /nfs/dbraw/zinc/76/44/07/573764407.db2.gz RPLXHALPONMKAR-LBPRGKRZSA-N 0 0 196.296 2.639 10 0 AFAERN Cc1cc([C@@H]2CCCCC2=O)ccn1 238506808 573764423 /nfs/dbraw/zinc/76/44/23/573764423.db2.gz KLUPNWRYGSCSQK-NSHDSACASA-N 0 0 189.258 2.617 10 0 AFAERN CC[C@H](C)c1ccc(NCO)cc1 258920938 573764618 /nfs/dbraw/zinc/76/46/18/573764618.db2.gz NNSWOIDYJLGVQM-VIFPVBQESA-N 0 0 179.263 2.562 10 0 AFAERN C[C@]12CCCCC1=CCC(=O)C2 238507961 573764625 /nfs/dbraw/zinc/76/46/25/573764625.db2.gz MXTADKACKZKBOH-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CC(C)(C)[C@H]1CCC=C[C@@]1(C)CO 238089811 573764648 /nfs/dbraw/zinc/76/46/48/573764648.db2.gz UIFSGGJWOSDBRX-PWSUYJOCSA-N 0 0 182.307 2.997 10 0 AFAERN CC[C@@H](C)c1ccc(CNOC)cc1 258123974 573764677 /nfs/dbraw/zinc/76/46/77/573764677.db2.gz QWSFPGZIHFLPRP-SNVBAGLBSA-N 0 0 193.290 2.851 10 0 AFAERN c1ccc2c(OC3CC3)cncc2c1 238093560 573766996 /nfs/dbraw/zinc/76/69/96/573766996.db2.gz PNYJAMOIZFGYOL-UHFFFAOYSA-N 0 0 185.226 2.776 10 0 AFAERN Clc1ccncc1C1CCOCC1 238508051 573764696 /nfs/dbraw/zinc/76/46/96/573764696.db2.gz TZNIUYABEYSZLY-UHFFFAOYSA-N 0 0 197.665 2.629 10 0 AFAERN CC[C@H](C)c1ccc(CNOC)cc1 258123971 573764711 /nfs/dbraw/zinc/76/47/11/573764711.db2.gz QWSFPGZIHFLPRP-JTQLQIEISA-N 0 0 193.290 2.851 10 0 AFAERN Fc1cccc2c1N[C@@H](C1CC1)C2 108334674 573764754 /nfs/dbraw/zinc/76/47/54/573764754.db2.gz KLPQCLRECITWTP-SNVBAGLBSA-N 0 0 177.222 2.572 10 0 AFAERN CC[C@@H](C)c1ccc(NCO)cc1 258920936 573764780 /nfs/dbraw/zinc/76/47/80/573764780.db2.gz NNSWOIDYJLGVQM-SECBINFHSA-N 0 0 179.263 2.562 10 0 AFAERN COc1ccc(SC(C)C)c(N)c1 125057078 573764798 /nfs/dbraw/zinc/76/47/98/573764798.db2.gz IOKAIPXDVDYATC-UHFFFAOYSA-N 0 0 197.303 2.778 10 0 AFAERN CC(=O)[C@H]1CC=C2CCC[C@@H]2C1 238089284 573764867 /nfs/dbraw/zinc/76/48/67/573764867.db2.gz ZWZRDTKZZVFIBH-WDEREUQCSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@H](C[C@H](O)C1=COCC1)C(C)(C)C 308711588 573766997 /nfs/dbraw/zinc/76/69/97/573766997.db2.gz ZANXQSYTDBECBV-KOLCDFICSA-N 0 0 198.306 2.724 10 0 AFAERN CC(C)(C)[C@H]1CCC=C[C@]1(C)CO 238089934 573764959 /nfs/dbraw/zinc/76/49/59/573764959.db2.gz UIFSGGJWOSDBRX-ZYHUDNBSSA-N 0 0 182.307 2.997 10 0 AFAERN Clc1ccncc1OC1CCC1 238508180 573764960 /nfs/dbraw/zinc/76/49/60/573764960.db2.gz VYCMSJPOYSCKIO-UHFFFAOYSA-N 0 0 183.638 2.666 10 0 AFAERN C[C@]12CCCC=C1CCC(=O)C2 238507356 573764983 /nfs/dbraw/zinc/76/49/83/573764983.db2.gz RGUACJWSFNXEBG-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN Fc1cccc2c1C[C@@H](C1CC1)N2 108334688 573765020 /nfs/dbraw/zinc/76/50/20/573765020.db2.gz HSIFAJZAYOCTAB-NSHDSACASA-N 0 0 177.222 2.572 10 0 AFAERN Cc1cc(Cl)cc2cnoc12 238507989 573765045 /nfs/dbraw/zinc/76/50/45/573765045.db2.gz FVZLLXSLEASSDA-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN CC(C)c1[nH]c(=O)[nH]c1C1CCCC1 257869068 573765056 /nfs/dbraw/zinc/76/50/56/573765056.db2.gz SROBDQRNUXSWDP-UHFFFAOYSA-N 0 0 194.278 2.896 10 0 AFAERN CSc1ccc(C)c(C(C)(C)O)c1 258121282 573765108 /nfs/dbraw/zinc/76/51/08/573765108.db2.gz QSYHYTGNXLQDLM-UHFFFAOYSA-N 0 0 196.315 2.944 10 0 AFAERN CC(=O)CC12CCC(CC1)CC2 238088653 573765148 /nfs/dbraw/zinc/76/51/48/573765148.db2.gz NHODSYLOPUJAKD-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc(O)c([C@H](C)O)cc1C(C)C 258124009 573765178 /nfs/dbraw/zinc/76/51/78/573765178.db2.gz QXJBEGZOGRGOTQ-VIFPVBQESA-N 0 0 194.274 2.877 10 0 AFAERN C[C@]12CC(=O)C[C@@H]1[C@@H]1CC=C[C@@H]1C2 238507287 573765241 /nfs/dbraw/zinc/76/52/41/573765241.db2.gz MCMCZWOPPTUQSP-HKWIRBFKSA-N 0 0 176.259 2.568 10 0 AFAERN CO[C@@H]1CCCC[C@H]1CC(=O)C(C)C 308710233 573765255 /nfs/dbraw/zinc/76/52/55/573765255.db2.gz YHLLZTITALXIKR-CMPLNLGQSA-N 0 0 198.306 2.807 10 0 AFAERN CCOc1cnc2[nH]ccc2c1Cl 257870289 573765286 /nfs/dbraw/zinc/76/52/86/573765286.db2.gz SVTBCTNXCGPPIX-UHFFFAOYSA-N 0 0 196.637 2.615 10 0 AFAERN CO[C@H]1CCCC[C@H]1CC(=O)C(C)C 308710236 573765328 /nfs/dbraw/zinc/76/53/28/573765328.db2.gz YHLLZTITALXIKR-JQWIXIFHSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cc2cc(O)c(Cl)cc2[nH]1 238508112 573765392 /nfs/dbraw/zinc/76/53/92/573765392.db2.gz FGWZAJYUERYLFG-UHFFFAOYSA-N 0 0 181.622 2.835 10 0 AFAERN C[C@]12CCCCCC[C@@H]1CC2=O 238508177 573765421 /nfs/dbraw/zinc/76/54/21/573765421.db2.gz UAJBPLGKFYNWJU-KOLCDFICSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1cc(Cl)cc2oncc12 238508390 573765426 /nfs/dbraw/zinc/76/54/26/573765426.db2.gz LUXVGEAQAIYJDS-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN CCOC(=O)[C@@H]1CC[C@H]2CCC[C@H]2C1 259620394 573765497 /nfs/dbraw/zinc/76/54/97/573765497.db2.gz NMHUCVSRMPJEMV-OUAUKWLOSA-N 0 0 196.290 2.766 10 0 AFAERN CCOC(=O)[C@@H]1CC[C@H]2CCC[C@@H]2C1 259620385 573765547 /nfs/dbraw/zinc/76/55/47/573765547.db2.gz NMHUCVSRMPJEMV-GMTAPVOTSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@]12CC(=O)C[C@H]1[C@@H]1CC=C[C@@H]1C2 238507266 573765595 /nfs/dbraw/zinc/76/55/95/573765595.db2.gz MCMCZWOPPTUQSP-YJQGPUDQSA-N 0 0 176.259 2.568 10 0 AFAERN C[C@@H]1C[C@]1(CO)c1ccc(Cl)cc1 258928900 573765675 /nfs/dbraw/zinc/76/56/75/573765675.db2.gz AHKYMMDVFCWUTO-LDYMZIIASA-N 0 0 196.677 2.610 10 0 AFAERN Fc1cccc2c1N[C@@H](C1CCC1)C2 108340680 573766880 /nfs/dbraw/zinc/76/68/80/573766880.db2.gz LKPDWLRWNKHSMJ-LLVKDONJSA-N 0 0 191.249 2.962 10 0 AFAERN Cc1cccc(C)c1C(O)=S 238508026 573765804 /nfs/dbraw/zinc/76/58/04/573765804.db2.gz RJLSQWUWBMUMPX-UHFFFAOYSA-N 0 0 166.245 2.537 10 0 AFAERN CC[C@H](O)[C@H]1CCC[C@@H](C)C1 122564077 573765830 /nfs/dbraw/zinc/76/58/30/573765830.db2.gz ADAKRBPCADLFLA-UTLUCORTSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc2cc(O)cc(Cl)c2[nH]1 238508317 573765866 /nfs/dbraw/zinc/76/58/66/573765866.db2.gz JBOHJGOOVBEVAS-UHFFFAOYSA-N 0 0 181.622 2.835 10 0 AFAERN C[C@H](CO)c1ccc2occc2c1F 258123852 573765879 /nfs/dbraw/zinc/76/58/79/573765879.db2.gz QUUQXOVBWOXADM-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN Cc1ccc(N[C@@H]2CC=CCC2)nc1 84080470 573765905 /nfs/dbraw/zinc/76/59/05/573765905.db2.gz LAYGBSRVDRGQPX-LLVKDONJSA-N 0 0 188.274 2.911 10 0 AFAERN Fc1cccc2c1C[C@H](C1CCC1)N2 108340693 573765926 /nfs/dbraw/zinc/76/59/26/573765926.db2.gz HQNJWSVCQJVUEL-GFCCVEGCSA-N 0 0 191.249 2.962 10 0 AFAERN CC[C@H]1CCC[C@H]([C@@H](O)CC)C1 122561022 573765992 /nfs/dbraw/zinc/76/59/92/573765992.db2.gz CQPJANURLUDNPL-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(C)cc(-c2nncs2)c1 238507957 573765995 /nfs/dbraw/zinc/76/59/95/573765995.db2.gz CVDWYCFHVCNOKJ-UHFFFAOYSA-N 0 0 190.271 2.822 10 0 AFAERN CC[C@H](O)[C@@H]1CC[C@@H](CC)C1 122566221 573766018 /nfs/dbraw/zinc/76/60/18/573766018.db2.gz WQQQRNUNUXRBPJ-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](O)[C@H]1CCC[C@@H](CC)C1 122560812 573766030 /nfs/dbraw/zinc/76/60/30/573766030.db2.gz CQPJANURLUDNPL-VWYCJHECSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccnc1N[C@@H]1CC=CCC1 84080436 573766037 /nfs/dbraw/zinc/76/60/37/573766037.db2.gz KAVMZOYDQHRTSJ-LLVKDONJSA-N 0 0 188.274 2.911 10 0 AFAERN C1=CC[C@@H](n2cccc2)CC1 84080570 573766089 /nfs/dbraw/zinc/76/60/89/573766089.db2.gz YEWWIGFTLDOSEG-SNVBAGLBSA-N 0 0 147.221 2.769 10 0 AFAERN C[C@@H]1C[C@@]1(CO)c1ccc(Cl)cc1 258928890 573766198 /nfs/dbraw/zinc/76/61/98/573766198.db2.gz AHKYMMDVFCWUTO-KCJUWKMLSA-N 0 0 196.677 2.610 10 0 AFAERN CC(C)(C)[C@@H]1C=C[C@H](CO)CC1 238092739 573766248 /nfs/dbraw/zinc/76/62/48/573766248.db2.gz WSCRLSOBCJZBLS-VHSXEESVSA-N 0 0 168.280 2.607 10 0 AFAERN COCc1c[nH]c2cc(C)ccc12 257872055 573766278 /nfs/dbraw/zinc/76/62/78/573766278.db2.gz IGLSPFBHXTZGFF-UHFFFAOYSA-N 0 0 175.231 2.623 10 0 AFAERN Fc1ccc2c(c1)N[C@H](C1CCC1)C2 108340682 573767024 /nfs/dbraw/zinc/76/70/24/573767024.db2.gz BWPQYMJWKUXESI-NSHDSACASA-N 0 0 191.249 2.962 10 0 AFAERN CC(C)c1cccc([C@@](C)(F)CO)c1 257871890 573766388 /nfs/dbraw/zinc/76/63/88/573766388.db2.gz YKHHBSYFOYOOSM-LBPRGKRZSA-N 0 0 196.265 2.987 10 0 AFAERN CC(=O)[C@H]1C[C@@H]2CCCC[C@@]23C[C@@H]13 238091527 573766401 /nfs/dbraw/zinc/76/64/01/573766401.db2.gz RVFDHBWHSYTYFF-WHOHXGKFSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)(C)[C@H]1CC[C@@H](F)C(=O)C1 238092938 573766419 /nfs/dbraw/zinc/76/64/19/573766419.db2.gz DFIGJGGIMYAECQ-JGVFFNPUSA-N 0 0 172.243 2.740 10 0 AFAERN CC[C@H](O)[C@@H]1CCC[C@@H](C)C1 122563871 573766455 /nfs/dbraw/zinc/76/64/55/573766455.db2.gz ADAKRBPCADLFLA-BBBLOLIVSA-N 0 0 156.269 2.584 10 0 AFAERN CCc1ocnc1-c1cccc(O)c1 257872441 573766461 /nfs/dbraw/zinc/76/64/61/573766461.db2.gz TYEXKCWXESCOTE-UHFFFAOYSA-N 0 0 189.214 2.610 10 0 AFAERN CO[C@@H]1CCNc2cccc(Cl)c21 257870342 573766542 /nfs/dbraw/zinc/76/65/42/573766542.db2.gz SXHVZBLGLTUUSG-SECBINFHSA-N 0 0 197.665 2.843 10 0 AFAERN C[C@@H](C[C@@H](O)C1=COCC1)C(C)(C)C 308711586 573766640 /nfs/dbraw/zinc/76/66/40/573766640.db2.gz ZANXQSYTDBECBV-GXSJLCMTSA-N 0 0 198.306 2.724 10 0 AFAERN Fc1ccc2c(c1)C[C@H](C1CCC1)N2 108340688 573767046 /nfs/dbraw/zinc/76/70/46/573767046.db2.gz GBRRXBFONAVBFU-GFCCVEGCSA-N 0 0 191.249 2.962 10 0 AFAERN C[C@H]1C[C@@]1(CO)c1ccc(Cl)cc1 258928894 573766730 /nfs/dbraw/zinc/76/67/30/573766730.db2.gz AHKYMMDVFCWUTO-KWQFWETISA-N 0 0 196.677 2.610 10 0 AFAERN c1cc(OC2CC2)c2ccncc2c1 238092903 573766792 /nfs/dbraw/zinc/76/67/92/573766792.db2.gz OTZBWFWYLJCGHD-UHFFFAOYSA-N 0 0 185.226 2.776 10 0 AFAERN C[C@H]1C[C@]1(CO)c1ccc(Cl)cc1 258928885 573766798 /nfs/dbraw/zinc/76/67/98/573766798.db2.gz AHKYMMDVFCWUTO-GZMMTYOYSA-N 0 0 196.677 2.610 10 0 AFAERN CCCC(CCC)[C@@H](O)C1=COCC1 308713204 573766842 /nfs/dbraw/zinc/76/68/42/573766842.db2.gz ZXGRDOBIYJYMEF-GFCCVEGCSA-N 0 0 198.306 2.868 10 0 AFAERN C[C@]12CCCCC[C@]1(C)C2=O 238508540 573766942 /nfs/dbraw/zinc/76/69/42/573766942.db2.gz JQQNRIQBIUIYPB-NXEZZACHSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1ccc([C@@H](O)C2=CC2(C)C)cc1 238508767 573766987 /nfs/dbraw/zinc/76/69/87/573766987.db2.gz IYWCCROYVCXZID-GFCCVEGCSA-N 0 0 188.270 2.995 10 0 AFAERN c1cc(OC2CC2)c2occc2c1 238092812 573766990 /nfs/dbraw/zinc/76/69/90/573766990.db2.gz SGUGGJGWMDUARS-UHFFFAOYSA-N 0 0 174.199 2.974 10 0 AFAERN COCc1csc2c(N)cccc12 257871176 573769224 /nfs/dbraw/zinc/76/92/24/573769224.db2.gz IEPMKYVOKZNNLO-UHFFFAOYSA-N 0 0 193.271 2.630 10 0 AFAERN CC(C)c1nc2cc(Cl)ccn2n1 257870826 573769255 /nfs/dbraw/zinc/76/92/55/573769255.db2.gz AYTJWZKXVQACSB-UHFFFAOYSA-N 0 0 195.653 2.506 10 0 AFAERN Cc1nc2c(n1C(C)(C)C)CCCC2 76095333 573769269 /nfs/dbraw/zinc/76/92/69/573769269.db2.gz QIRMEBMFZVTSAK-UHFFFAOYSA-N 0 0 192.306 2.825 10 0 AFAERN Cc1c(O)cc2c(c1C)CCCC2=O 238509415 573769286 /nfs/dbraw/zinc/76/92/86/573769286.db2.gz YSBLVXPOIVRMDT-UHFFFAOYSA-N 0 0 190.242 2.528 10 0 AFAERN Cc1coc(-c2ccc(N)nc2C)c1 716167291 573769206 /nfs/dbraw/zinc/76/92/06/573769206.db2.gz DJTPNJZDKWTYCL-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C[C@H]1CCCn2c1cnc2C1CC1 258125305 573769291 /nfs/dbraw/zinc/76/92/91/573769291.db2.gz CPAXIUOUIPIVDD-QMMMGPOBSA-N 0 0 176.263 2.658 10 0 AFAERN O=C1CCC[C@@H]1c1cnccc1Cl 238508769 573769213 /nfs/dbraw/zinc/76/92/13/573769213.db2.gz FSYJPRNKELZMDF-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1c(O)c2ccccc2[nH]c1=S 238509095 573768752 /nfs/dbraw/zinc/76/87/52/573768752.db2.gz PNCSMMNUTUSPSH-UHFFFAOYSA-N 0 0 191.255 2.911 10 0 AFAERN Cc1cccc2c1CCC(=O)C21CC1 259185052 573768769 /nfs/dbraw/zinc/76/87/69/573768769.db2.gz IMQPIGJSJGVVQL-UHFFFAOYSA-N 0 0 186.254 2.542 10 0 AFAERN Cc1ccc2c(c1)CCC(=O)C21CC1 259177447 573768780 /nfs/dbraw/zinc/76/87/80/573768780.db2.gz IENIQRMQLWBZRY-UHFFFAOYSA-N 0 0 186.254 2.542 10 0 AFAERN CC(C)S[C@H]1CCCCC[C@H]1O 84083111 573768860 /nfs/dbraw/zinc/76/88/60/573768860.db2.gz YLJKZUASEADSSV-ZJUUUORDSA-N 0 0 188.336 2.822 10 0 AFAERN c1cc2cnoc2cc1C1CC1 238096860 573768866 /nfs/dbraw/zinc/76/88/66/573768866.db2.gz QTEIZJDASLROEC-UHFFFAOYSA-N 0 0 159.188 2.705 10 0 AFAERN C[C@@H](C[C@H](O)C1=COCC1)C(C)(C)C 308711592 573768908 /nfs/dbraw/zinc/76/89/08/573768908.db2.gz ZANXQSYTDBECBV-ONGXEEELSA-N 0 0 198.306 2.724 10 0 AFAERN CCC[C@H](C)C[C@@H](NN)[C@@H](C)C1CC1 131154248 573768917 /nfs/dbraw/zinc/76/89/17/573768917.db2.gz QDEQNXXOQJMMLD-JBLDHEPKSA-N 0 0 198.354 2.691 10 0 AFAERN CC(=O)CCCC/C=C/Cl 238096552 573768946 /nfs/dbraw/zinc/76/89/46/573768946.db2.gz WDASQZAOAJVPEH-FNORWQNLSA-N 0 0 160.644 2.888 10 0 AFAERN CC(=O)[C@@H](C)Cc1ccncc1Cl 84085444 573769025 /nfs/dbraw/zinc/76/90/25/573769025.db2.gz ICOJYZKRFDXUOM-ZETCQYMHSA-N 0 0 197.665 2.503 10 0 AFAERN Cc1cc2ccc(C)c(F)c2[nH]1 238509540 573769094 /nfs/dbraw/zinc/76/90/94/573769094.db2.gz PBCGDOUJEFZMCX-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN CCCC[C@@H](C)Nc1ccc(=O)[nH]c1 308712853 573769117 /nfs/dbraw/zinc/76/91/17/573769117.db2.gz ZSAHPTBXVUJTRB-SECBINFHSA-N 0 0 194.278 2.778 10 0 AFAERN CCN1c2ccc(C)cc2NC[C@@H]1C 258422615 573770119 /nfs/dbraw/zinc/77/01/19/573770119.db2.gz DXNVQCRNPPSFHV-JTQLQIEISA-N 0 0 190.290 2.635 10 0 AFAERN Cc1ccsc1[C@@]1(CO)CC1(C)C 258932784 573770177 /nfs/dbraw/zinc/77/01/77/573770177.db2.gz BBGGZDPPUHBYTG-NSHDSACASA-N 0 0 196.315 2.717 10 0 AFAERN c1cc2nc(C3CC3)sc2cn1 238097213 573770052 /nfs/dbraw/zinc/77/00/52/573770052.db2.gz HRFJKTCEFKAZJX-UHFFFAOYSA-N 0 0 176.244 2.569 10 0 AFAERN Cc1ccc2[nH]c(Cl)nc2c1F 238509706 573771163 /nfs/dbraw/zinc/77/11/63/573771163.db2.gz AEORZCDLTQFACX-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN CO[C@@H]1CCC[C@@H]1C(C)(C)CC(C)=O 308713185 573771196 /nfs/dbraw/zinc/77/11/96/573771196.db2.gz ZWXFKEBTYUHGJY-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cccc(C)c1NC(=N)Cl 238509763 573771209 /nfs/dbraw/zinc/77/12/09/573771209.db2.gz JSAVJTAJBGAPRB-UHFFFAOYSA-N 0 0 182.654 2.889 10 0 AFAERN CC[C@H](NC(=O)OC(C)C)C(C)C 127093895 573771256 /nfs/dbraw/zinc/77/12/56/573771256.db2.gz UBAXDDQESVOBES-VIFPVBQESA-N 0 0 187.283 2.556 10 0 AFAERN CC(F)(F)c1ccc2c(c1)CCO2 258934978 573771808 /nfs/dbraw/zinc/77/18/08/573771808.db2.gz BLLKPTUBSUJGCH-UHFFFAOYSA-N 0 0 184.185 2.733 10 0 AFAERN CC(=O)CC[C@@H]1C(C)(C)C1(F)F 238101760 573771346 /nfs/dbraw/zinc/77/13/46/573771346.db2.gz BLPYQCYQRQNTSU-SSDOTTSWSA-N 0 0 176.206 2.647 10 0 AFAERN CC[C@H](C)O[P@](C)(=O)CC=O 393650888 573771387 /nfs/dbraw/zinc/77/13/87/573771387.db2.gz BTNMXXVJUDLZLG-FBDUFVAESA-N 0 0 178.168 2.739 10 0 AFAERN CCCS[C@@H]1CCCCC[C@H]1O 84083005 573771484 /nfs/dbraw/zinc/77/14/84/573771484.db2.gz YNACNHLZOWIMSA-NXEZZACHSA-N 0 0 188.336 2.823 10 0 AFAERN CCCS[C@H]1CCCCC[C@H]1O 84083006 573771544 /nfs/dbraw/zinc/77/15/44/573771544.db2.gz YNACNHLZOWIMSA-ZJUUUORDSA-N 0 0 188.336 2.823 10 0 AFAERN Cc1cc(F)c(Cl)c(C=O)c1C 108365968 573771636 /nfs/dbraw/zinc/77/16/36/573771636.db2.gz HXIFYZWRBPXUMS-UHFFFAOYSA-N 0 0 186.613 2.908 10 0 AFAERN CCC[C@H](C)COC(=O)[C@H]1C[C@H]1C 308436313 573771687 /nfs/dbraw/zinc/77/16/87/573771687.db2.gz WQDBODPLPKAGNE-AEJSXWLSSA-N 0 0 184.279 2.622 10 0 AFAERN CC(=O)CC[C@@H]1C=CC1(C)C 238101876 573771864 /nfs/dbraw/zinc/77/18/64/573771864.db2.gz WOLWGKKRGUJPAH-SECBINFHSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1nc(C)c(C(F)F)cc1F 238510346 573771890 /nfs/dbraw/zinc/77/18/90/573771890.db2.gz LFWWRZYSCZYLNW-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN C[C@H](OCC1CC1)c1ccc(N)cc1 40909130 573771946 /nfs/dbraw/zinc/77/19/46/573771946.db2.gz YPEMBUYZIJGIPB-VIFPVBQESA-N 0 0 191.274 2.756 10 0 AFAERN C[C@@H](O)c1csc2cccc(O)c12 257875269 573771950 /nfs/dbraw/zinc/77/19/50/573771950.db2.gz IXCCAWILJICVBJ-ZCFIWIBFSA-N 0 0 194.255 2.660 10 0 AFAERN CCC[C@H](C)C[C@H](NN)[C@@H](C)C1CC1 131153821 573771971 /nfs/dbraw/zinc/77/19/71/573771971.db2.gz QDEQNXXOQJMMLD-NHCYSSNCSA-N 0 0 198.354 2.691 10 0 AFAERN CC[C@@H](O)C/C=C/c1ccccc1 166038045 573771993 /nfs/dbraw/zinc/77/19/93/573771993.db2.gz DLMBMEIMUGSYAU-UVMWJGKXSA-N 0 0 176.259 2.861 10 0 AFAERN CSCC(C)(C)c1cccc(N)c1 258127938 573772051 /nfs/dbraw/zinc/77/20/51/573772051.db2.gz QBQRXSJPWYOYHW-UHFFFAOYSA-N 0 0 195.331 2.909 10 0 AFAERN Cc1ccc([C@@H]2CCCC(=O)C2)nc1 238511773 573772089 /nfs/dbraw/zinc/77/20/89/573772089.db2.gz ZOILUCNWMVDFIG-SNVBAGLBSA-N 0 0 189.258 2.617 10 0 AFAERN Cc1ccc(C)c([C@]2(CO)C[C@@H]2C)c1 258934889 573772134 /nfs/dbraw/zinc/77/21/34/573772134.db2.gz BJVYTWUEDYLQFL-AAEUAGOBSA-N 0 0 190.286 2.573 10 0 AFAERN CC(=O)CC[C@@H]1CCC1(C)C 238102110 573772147 /nfs/dbraw/zinc/77/21/47/573772147.db2.gz SCXDWVSWRGGLHX-SECBINFHSA-N 0 0 154.253 2.792 10 0 AFAERN CCCc1ccc(C(=S)NC)cc1 259180963 573772181 /nfs/dbraw/zinc/77/21/81/573772181.db2.gz MBBZJNRFDTXCKB-UHFFFAOYSA-N 0 0 193.315 2.534 10 0 AFAERN CSC[C@H]1CNc2ccccc2C1 258126376 573772187 /nfs/dbraw/zinc/77/21/87/573772187.db2.gz LYYVXFLLSITHJO-SECBINFHSA-N 0 0 193.315 2.634 10 0 AFAERN CC(=O)C1(C(C)C)CCCC1 238101874 573772363 /nfs/dbraw/zinc/77/23/63/573772363.db2.gz LLWUFZBEHGZUAB-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(=O)CC[C@@H]1C(C)(C)[C@@]1(C)F 238101799 573772212 /nfs/dbraw/zinc/77/22/12/573772212.db2.gz RXAMARYZHLVRMA-SCZZXKLOSA-N 0 0 172.243 2.740 10 0 AFAERN CC(C)Cc1ccccc1[C@@H](C)CO 257875318 573775822 /nfs/dbraw/zinc/77/58/22/573775822.db2.gz ZAZUPDPFWNAGQD-NSHDSACASA-N 0 0 192.302 2.981 10 0 AFAERN CC(C)SCc1ccc(O)cc1O 258128050 573775761 /nfs/dbraw/zinc/77/57/61/573775761.db2.gz NKRPXGUGYNNMKC-UHFFFAOYSA-N 0 0 198.287 2.739 10 0 AFAERN CC(C)C1(C(C)C)CCC[C@H]1O 238102036 573775763 /nfs/dbraw/zinc/77/57/63/573775763.db2.gz XXCDPNUKFIYMOD-SNVBAGLBSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cccc(-c2ccc(O)c(N)c2)c1 258128074 573775912 /nfs/dbraw/zinc/77/59/12/573775912.db2.gz QCHNMOICDFAVPR-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN O=C1CCCC1C(F)(F)F 100206365 573776037 /nfs/dbraw/zinc/77/60/37/573776037.db2.gz VWLLKWSRQDBQHU-UHFFFAOYSA-N 0 0 152.115 2.545 10 0 AFAERN CC(C)OCc1ccc2c(c1)NCC2 258126570 573776100 /nfs/dbraw/zinc/77/61/00/573776100.db2.gz MBNMRJZUUUWWQU-UHFFFAOYSA-N 0 0 191.274 2.580 10 0 AFAERN CC(=O)Cc1ccc2occc2c1F 258126574 573776174 /nfs/dbraw/zinc/77/61/74/573776174.db2.gz RDOGQIZFNGXMKE-UHFFFAOYSA-N 0 0 192.189 2.703 10 0 AFAERN Cc1cnc(C)c(C(F)F)c1C 238511943 573777410 /nfs/dbraw/zinc/77/74/10/573777410.db2.gz ZKJKIYXQEDKMQQ-UHFFFAOYSA-N 0 0 171.190 2.944 10 0 AFAERN FC(F)(c1ccccn1)C1CC1 258937102 573777436 /nfs/dbraw/zinc/77/74/36/573777436.db2.gz BTWVHLGRYOUNAH-UHFFFAOYSA-N 0 0 169.174 2.583 10 0 AFAERN Cc1ccc([C@@]2(CO)CC2(C)C)cc1 258937005 573777095 /nfs/dbraw/zinc/77/70/95/573777095.db2.gz BRBGRTZARJTVKN-ZDUSSCGKSA-N 0 0 190.286 2.655 10 0 AFAERN CC(C)C1=CC[C@@H](C)C[C@@H]1CO 238109030 573777104 /nfs/dbraw/zinc/77/71/04/573777104.db2.gz JHLVVTZSOSSPHH-NXEZZACHSA-N 0 0 168.280 2.607 10 0 AFAERN Clc1cnccc1OC1CCC1 238512942 573777114 /nfs/dbraw/zinc/77/71/14/573777114.db2.gz IUTFCKIRWLSSCR-UHFFFAOYSA-N 0 0 183.638 2.666 10 0 AFAERN CC(=O)[C@@]12CC=CC[C@H]1CCC2 238107669 573777177 /nfs/dbraw/zinc/77/71/77/573777177.db2.gz BLRIOYWSYWZYEE-QWRGUYRKSA-N 0 0 164.248 2.712 10 0 AFAERN CC(=O)CCc1c(C)cc(O)cc1C 238106750 573777183 /nfs/dbraw/zinc/77/71/83/573777183.db2.gz MERDQSLRXPPJFM-UHFFFAOYSA-N 0 0 192.258 2.531 10 0 AFAERN CC(C)n1nc(C=O)cc1C(C)(C)C 257877214 573777219 /nfs/dbraw/zinc/77/72/19/573777219.db2.gz USWNJBUIRJRADR-UHFFFAOYSA-N 0 0 194.278 2.574 10 0 AFAERN CC(=O)[C@@]12CC[C@@H](C[C@@H]1C)[C@@H]2C 238511933 573777238 /nfs/dbraw/zinc/77/72/38/573777238.db2.gz IKUPAQULMZRISJ-UUTMEEIUSA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@@H](C)C[C@H](O)c1ncccc1F 131182298 573778127 /nfs/dbraw/zinc/77/81/27/573778127.db2.gz MMBIKITVCGDYCW-SCZZXKLOSA-N 0 0 197.253 2.690 10 0 AFAERN CC(C)C1=CCC[C@H](O)CC1 238108676 573777292 /nfs/dbraw/zinc/77/72/92/573777292.db2.gz ZSXWALYAGKBXNT-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN CCC(C)(C)[C@@H]([NH2+]C)c1ccoc1 127135166 573777503 /nfs/dbraw/zinc/77/75/03/573777503.db2.gz QSFVGSNWDOAJLD-JTQLQIEISA-N 0 0 181.279 2.976 10 0 AFAERN Cc1cnc(C)c(C(F)F)c1F 238512278 573778236 /nfs/dbraw/zinc/77/82/36/573778236.db2.gz GCCRJDNUFQKJPN-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Cc1cc(C(F)F)cnc1CF 238512162 573777548 /nfs/dbraw/zinc/77/75/48/573777548.db2.gz BNTOWEVDGTWJIQ-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN Cc1ccc2c(=O)ccsc2c1 238513417 573777563 /nfs/dbraw/zinc/77/75/63/573777563.db2.gz ARDXHEZAGQXHRR-UHFFFAOYSA-N 0 0 176.240 2.570 10 0 AFAERN CC(=O)c1onc2ccc(Cl)cc12 257876299 573777820 /nfs/dbraw/zinc/77/78/20/573777820.db2.gz UPUUWPIPRFVBER-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN CC1=NC(CC(C)C)SC1=S 259186354 573777837 /nfs/dbraw/zinc/77/78/37/573777837.db2.gz GLFOZEAZEQNPCD-UHFFFAOYSA-N 0 0 187.333 2.939 10 0 AFAERN CC(C)C1=CC[C@@H](C)C[C@H]1CO 238109091 573777843 /nfs/dbraw/zinc/77/78/43/573777843.db2.gz JHLVVTZSOSSPHH-ZJUUUORDSA-N 0 0 168.280 2.607 10 0 AFAERN CC(C)(c1ccc[nH]1)c1ccco1 238107238 573777870 /nfs/dbraw/zinc/77/78/70/573777870.db2.gz FANQRZSSAVHFGD-UHFFFAOYSA-N 0 0 175.231 2.934 10 0 AFAERN CC(=O)[C@@H]1CC=C(C(C)C)CC1 238108952 573777938 /nfs/dbraw/zinc/77/79/38/573777938.db2.gz UGEOYLUHOLLPHS-LLVKDONJSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1ccc([C@@H]2CCCC2=O)cc1O 238512223 573777950 /nfs/dbraw/zinc/77/79/50/573777950.db2.gz UMCYOTKCBNMEPJ-JTQLQIEISA-N 0 0 190.242 2.537 10 0 AFAERN O=C1CC[C@@H](c2ccncc2Cl)C1 238512995 573777968 /nfs/dbraw/zinc/77/79/68/573777968.db2.gz MUFBCCKEJKIORK-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1cnc(C)c(F)c1C(F)F 238513052 573778021 /nfs/dbraw/zinc/77/80/21/573778021.db2.gz KSKSZCJCGXEHLL-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN C[C@]12CCCC[C@]1(C)CC(=O)C2 238512436 573778034 /nfs/dbraw/zinc/77/80/34/573778034.db2.gz KJQBPOKTZCYCIR-GHMZBOCLSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1c(-c2ccc(Cl)cc2)c1=O 238513423 573778080 /nfs/dbraw/zinc/77/80/80/573778080.db2.gz CFXFLRNDJWSLLX-UHFFFAOYSA-N 0 0 178.618 2.551 10 0 AFAERN CC(C)C1=CCC[C@@H](O)CC1 238108539 573778177 /nfs/dbraw/zinc/77/81/77/573778177.db2.gz ZSXWALYAGKBXNT-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN CC[C@H](C)C[C@@H](O)c1ncccc1F 131182884 573778284 /nfs/dbraw/zinc/77/82/84/573778284.db2.gz MMBIKITVCGDYCW-WCBMZHEXSA-N 0 0 197.253 2.690 10 0 AFAERN Cc1cccc2cc(CO)ccc12 108368128 573779165 /nfs/dbraw/zinc/77/91/65/573779165.db2.gz GDLYTKBUGBUVSN-UHFFFAOYSA-N 0 0 172.227 2.641 10 0 AFAERN C=C=C[C@H](O)c1c(C)cccc1C 238513439 573779177 /nfs/dbraw/zinc/77/91/77/573779177.db2.gz VDZJMFFRIKPSJW-NSHDSACASA-N 0 0 174.243 2.678 10 0 AFAERN Cc1cc(C(F)F)cnc1C 238511936 573779209 /nfs/dbraw/zinc/77/92/09/573779209.db2.gz SNNYHMKTMDZZTL-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN Clc1cncc2ccnc(Cl)c12 238512714 573779277 /nfs/dbraw/zinc/77/92/77/573779277.db2.gz DRFQEOSFJZRGOR-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN CCn1nc(Cl)c2cc(F)ccc21 257875994 573779300 /nfs/dbraw/zinc/77/93/00/573779300.db2.gz RERHLYZKTRRDDK-UHFFFAOYSA-N 0 0 198.628 2.849 10 0 AFAERN Cc1cnc(Oc2ccc(F)cc2)o1 257875777 573779304 /nfs/dbraw/zinc/77/93/04/573779304.db2.gz JASQBLWOGSUFOX-UHFFFAOYSA-N 0 0 193.177 2.914 10 0 AFAERN Cc1cc2ccoc(C)c-2c1N 238513694 573779374 /nfs/dbraw/zinc/77/93/74/573779374.db2.gz UNLLKJYILZCUTR-UHFFFAOYSA-N 0 0 161.204 2.583 10 0 AFAERN Nc1cc(C2CCCC2)cnc1Cl 257876246 573779440 /nfs/dbraw/zinc/77/94/40/573779440.db2.gz UNWQTVFZMDUNLM-UHFFFAOYSA-N 0 0 196.681 2.975 10 0 AFAERN C[C@@H]1CC(=O)[C@H]2C[C@@H](C1)C2(C)C 238512670 573779520 /nfs/dbraw/zinc/77/95/20/573779520.db2.gz RDHQBMVWTDQOPO-DJLDLDEBSA-N 0 0 166.264 2.648 10 0 AFAERN CC(=O)CCc1ccc(O)c(C)c1C 238107471 573779534 /nfs/dbraw/zinc/77/95/34/573779534.db2.gz SKUNCUNTSZCDEH-UHFFFAOYSA-N 0 0 192.258 2.531 10 0 AFAERN CC[C@@H](C)c1cccc2c1OC[C@H]2O 84150506 573779546 /nfs/dbraw/zinc/77/95/46/573779546.db2.gz SBCWLVRVIPVYBE-LDYMZIIASA-N 0 0 192.258 2.626 10 0 AFAERN Cc1c(Cl)cnc(C(F)F)c1N 238513859 573779562 /nfs/dbraw/zinc/77/95/62/573779562.db2.gz RETLFXAWHIFYNK-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCC1=C(C)C(C(C)=O)N=C1C 100221465 573779625 /nfs/dbraw/zinc/77/96/25/573779625.db2.gz XKRJNPZLOVVWRD-NTMALXAHSA-N 0 0 165.236 2.977 10 0 AFAERN CC(=O)[C@H]1CCCC=C1C(C)C 238108338 573779657 /nfs/dbraw/zinc/77/96/57/573779657.db2.gz XHAQKNHSJPBFKY-LLVKDONJSA-N 0 0 166.264 2.958 10 0 AFAERN CC[C@H]1Oc2cc(C)cc(C)c2[C@H]1O 84150100 573779702 /nfs/dbraw/zinc/77/97/02/573779702.db2.gz BRMZGBHMZPKEGU-SKDRFNHKSA-N 0 0 192.258 2.508 10 0 AFAERN CC[C@@H]1Oc2c(C)cc(C)cc2[C@@H]1O 84150543 573779736 /nfs/dbraw/zinc/77/97/36/573779736.db2.gz PJDRBRBZRXIAHF-QWRGUYRKSA-N 0 0 192.258 2.508 10 0 AFAERN Cc1ccc(C(C)C)c2c1OC[C@@H]2O 84150786 573779753 /nfs/dbraw/zinc/77/97/53/573779753.db2.gz RORXEZMYOBGJKA-JTQLQIEISA-N 0 0 192.258 2.544 10 0 AFAERN Cc1ccc(C(C)C)c2c1[C@@H](O)CO2 84150637 573779781 /nfs/dbraw/zinc/77/97/81/573779781.db2.gz QXXZMCIRFDBGMF-JTQLQIEISA-N 0 0 192.258 2.544 10 0 AFAERN CC(C)c1ccc2c(c1)[C@H](O)[C@H](C)O2 84150453 573779790 /nfs/dbraw/zinc/77/97/90/573779790.db2.gz TUWGAKOYTWPDBQ-QPUJVOFHSA-N 0 0 192.258 2.624 10 0 AFAERN C[Si](C)(C)/C=C/[C@H](O)c1ccoc1 238512444 573779803 /nfs/dbraw/zinc/77/98/03/573779803.db2.gz AERFWCMBGQSYOP-STUBTGCMSA-N 0 0 196.322 2.747 10 0 AFAERN CC(C)c1cccc2c1O[C@H](C)[C@@H]2O 84150488 573779818 /nfs/dbraw/zinc/77/98/18/573779818.db2.gz OSGBAPHOYVPJLT-KCJUWKMLSA-N 0 0 192.258 2.624 10 0 AFAERN CC(C)(C)[C@]12C=C[C@@H]1CCC2=O 238108941 573779867 /nfs/dbraw/zinc/77/98/67/573779867.db2.gz GLGFEEKMUGJOLO-GZMMTYOYSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)(/C=C/C1CCCC1)CO 238109147 573779897 /nfs/dbraw/zinc/77/98/97/573779897.db2.gz VNHOUNBNVAXRIY-BQYQJAHWSA-N 0 0 168.280 2.751 10 0 AFAERN Cc1ccc(C(C)C)c2c1OC[C@H]2O 84150787 573779923 /nfs/dbraw/zinc/77/99/23/573779923.db2.gz RORXEZMYOBGJKA-SNVBAGLBSA-N 0 0 192.258 2.544 10 0 AFAERN CC[C@H]1Oc2cc(C)c(C)cc2[C@@H]1O 84150230 573779933 /nfs/dbraw/zinc/77/99/33/573779933.db2.gz QUVJWNCPDFEZHV-PWSUYJOCSA-N 0 0 192.258 2.508 10 0 AFAERN CC(C)c1ccc2c(c1)[C@H](O)[C@@H](C)O2 84150452 573779941 /nfs/dbraw/zinc/77/99/41/573779941.db2.gz TUWGAKOYTWPDBQ-PRHODGIISA-N 0 0 192.258 2.624 10 0 AFAERN CC(=O)[C@@H]1CCCC=C1C(C)C 238108416 573779953 /nfs/dbraw/zinc/77/99/53/573779953.db2.gz XHAQKNHSJPBFKY-NSHDSACASA-N 0 0 166.264 2.958 10 0 AFAERN c1cc2c(c3c1CCCC3)CCCN2 238107831 573779981 /nfs/dbraw/zinc/77/99/81/573779981.db2.gz UOLIHYPCHPHNEC-UHFFFAOYSA-N 0 0 187.286 2.924 10 0 AFAERN CCSc1ccccc1[C@@H](C)CO 257875449 573780001 /nfs/dbraw/zinc/78/00/01/573780001.db2.gz ZERRMLXAALZLCS-VIFPVBQESA-N 0 0 196.315 2.894 10 0 AFAERN CC[C@H]1Oc2c(ccc(C)c2C)[C@@H]1O 84150248 573780002 /nfs/dbraw/zinc/78/00/02/573780002.db2.gz WEHIIOAZTLKWEK-MNOVXSKESA-N 0 0 192.258 2.508 10 0 AFAERN Nc1ccc2cccc(F)c2c1 108367269 573780053 /nfs/dbraw/zinc/78/00/53/573780053.db2.gz QNXYSINGJNDPPC-UHFFFAOYSA-N 0 0 161.179 2.561 10 0 AFAERN CC(C)(C)[C@]12C=C[C@H]1CCC2=O 238108968 573780088 /nfs/dbraw/zinc/78/00/88/573780088.db2.gz GLGFEEKMUGJOLO-LDYMZIIASA-N 0 0 164.248 2.568 10 0 AFAERN CC[C@H](C)C[C@H](O)c1ncccc1F 131182488 573780102 /nfs/dbraw/zinc/78/01/02/573780102.db2.gz MMBIKITVCGDYCW-WPRPVWTQSA-N 0 0 197.253 2.690 10 0 AFAERN CC[C@H]1Oc2c(C)cc(C)cc2[C@@H]1O 84150542 573780323 /nfs/dbraw/zinc/78/03/23/573780323.db2.gz PJDRBRBZRXIAHF-MNOVXSKESA-N 0 0 192.258 2.508 10 0 AFAERN CC(C)c1cccc2c1OCC[C@@H]2O 84150483 573780351 /nfs/dbraw/zinc/78/03/51/573780351.db2.gz MWYGWXWQHURGHN-NSHDSACASA-N 0 0 192.258 2.626 10 0 AFAERN C[Si](C)(C)/C=C/[C@H](O)c1ccco1 238512426 573780383 /nfs/dbraw/zinc/78/03/83/573780383.db2.gz YQMZSOABMBGMDC-ORZBULNSSA-N 0 0 196.322 2.747 10 0 AFAERN C/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1C 84148529 573780409 /nfs/dbraw/zinc/78/04/09/573780409.db2.gz FSARUWJXQNUYFV-NAJRYUOPSA-N 0 0 195.306 2.600 10 0 AFAERN CC[C@@H]1Oc2cc(C)c(C)cc2[C@@H]1O 84150231 573780431 /nfs/dbraw/zinc/78/04/31/573780431.db2.gz QUVJWNCPDFEZHV-JQWIXIFHSA-N 0 0 192.258 2.508 10 0 AFAERN CC[C@H](C)c1cccc2c1OC[C@H]2O 84150507 573780443 /nfs/dbraw/zinc/78/04/43/573780443.db2.gz SBCWLVRVIPVYBE-GZMMTYOYSA-N 0 0 192.258 2.626 10 0 AFAERN CCCSCCCCCCO 79243112 573780528 /nfs/dbraw/zinc/78/05/28/573780528.db2.gz TYCYEODKYWAWNS-UHFFFAOYSA-N 0 0 176.325 2.682 10 0 AFAERN CC[C@@H]1Oc2c(C)cc(C)cc2[C@H]1O 84150540 573780609 /nfs/dbraw/zinc/78/06/09/573780609.db2.gz PJDRBRBZRXIAHF-WDEREUQCSA-N 0 0 192.258 2.508 10 0 AFAERN C=COc1ccc(F)cc1C(C)=O 87111449 573780764 /nfs/dbraw/zinc/78/07/64/573780764.db2.gz BEAMGYVYVYJHQK-UHFFFAOYSA-N 0 0 180.178 2.551 10 0 AFAERN CC(C)C1=C(CO)C[C@@H](C)CC1 238106182 573780812 /nfs/dbraw/zinc/78/08/12/573780812.db2.gz RWGNSXINUSDVNU-VIFPVBQESA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)c1cccc2c1O[C@H](C)[C@H]2O 84150490 573780822 /nfs/dbraw/zinc/78/08/22/573780822.db2.gz OSGBAPHOYVPJLT-LDYMZIIASA-N 0 0 192.258 2.624 10 0 AFAERN CC[C@@H]1Oc2c(Cl)cccc2[C@@H]1O 84150083 573780857 /nfs/dbraw/zinc/78/08/57/573780857.db2.gz XZFAHLULQDKTBG-IUCAKERBSA-N 0 0 198.649 2.544 10 0 AFAERN CC(C)C1=C(CO)Cc2ccccc21 238106247 573780859 /nfs/dbraw/zinc/78/08/59/573780859.db2.gz SKALZXQVOLMUAU-UHFFFAOYSA-N 0 0 188.270 2.645 10 0 AFAERN CCC1=C(C)C(C(C)=O)C(C)=N1 100221460 573780891 /nfs/dbraw/zinc/78/08/91/573780891.db2.gz FSPXXCAVIDTMIZ-NTMALXAHSA-N 0 0 165.236 2.977 10 0 AFAERN CC[C@H]1Oc2cc(C)cc(C)c2[C@@H]1O 84150102 573780922 /nfs/dbraw/zinc/78/09/22/573780922.db2.gz BRMZGBHMZPKEGU-BXKDBHETSA-N 0 0 192.258 2.508 10 0 AFAERN C[C@H]1C[C@H](C(C)(C)C)CC1=O 238518477 573791780 /nfs/dbraw/zinc/79/17/80/573791780.db2.gz JQIFMQVCQPPLGS-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CC(C)c1cccc2c1O[C@@H](C)[C@@H]2O 84150489 573782773 /nfs/dbraw/zinc/78/27/73/573782773.db2.gz OSGBAPHOYVPJLT-KWQFWETISA-N 0 0 192.258 2.624 10 0 AFAERN CC[C@H]1Oc2c(ccc(C)c2C)[C@H]1O 84150246 573782817 /nfs/dbraw/zinc/78/28/17/573782817.db2.gz WEHIIOAZTLKWEK-GHMZBOCLSA-N 0 0 192.258 2.508 10 0 AFAERN CC(=O)C1CCCCC1 100217548 573782820 /nfs/dbraw/zinc/78/28/20/573782820.db2.gz ULDSHVAMTLXGCH-UHFFFAOYSA-N 0 0 126.199 2.783 10 0 AFAERN CC[C@H]1Oc2c(Cl)cccc2[C@@H]1O 84150082 573782794 /nfs/dbraw/zinc/78/27/94/573782794.db2.gz XZFAHLULQDKTBG-BDAKNGLRSA-N 0 0 198.649 2.544 10 0 AFAERN CC(C)C1=CC[C@H](C)C[C@@H]1CO 238109753 573782852 /nfs/dbraw/zinc/78/28/52/573782852.db2.gz JHLVVTZSOSSPHH-VHSXEESVSA-N 0 0 168.280 2.607 10 0 AFAERN Cc1cc2c(N)ccc(C)c2nc1C 238502664 573782806 /nfs/dbraw/zinc/78/28/06/573782806.db2.gz YYPIDOVAZVDNLP-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN CC(C)C1=CC[C@]2(C)C[C@H]1CC2=O 238110192 573782875 /nfs/dbraw/zinc/78/28/75/573782875.db2.gz MUEDKIUBTBUCTE-BXKDBHETSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)=C[C@H](NN)C(C)(C)C(C)(C)C 308737423 573782724 /nfs/dbraw/zinc/78/27/24/573782724.db2.gz MJCNEQBHOQXUDV-JTQLQIEISA-N 0 0 198.354 2.857 10 0 AFAERN CC[C@@H]1Oc2ccc(Cl)cc2[C@@H]1O 84150022 573782725 /nfs/dbraw/zinc/78/27/25/573782725.db2.gz NGYKODHJROEKFV-WPRPVWTQSA-N 0 0 198.649 2.544 10 0 AFAERN CC(=O)C1C(C)=NC(C)=C1C 100219700 573782960 /nfs/dbraw/zinc/78/29/60/573782960.db2.gz SQPCFVKMFKLIGZ-HJWRWDBZSA-N 0 0 151.209 2.587 10 0 AFAERN CC(C)c1ccc2c(c1)[C@@H](O)[C@@H](C)O2 84150449 573782975 /nfs/dbraw/zinc/78/29/75/573782975.db2.gz TUWGAKOYTWPDBQ-PELKAZGASA-N 0 0 192.258 2.624 10 0 AFAERN Cc1ccc(F)c([C@H]2CO2)c1Cl 238503164 573785442 /nfs/dbraw/zinc/78/54/42/573785442.db2.gz HRGNDUOINWWFLL-SSDOTTSWSA-N 0 0 186.613 2.859 10 0 AFAERN Cc1cc2ccoc2c(Cl)n1 238513797 573786192 /nfs/dbraw/zinc/78/61/92/573786192.db2.gz WSWMTCGICUODEE-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN CC(C)(C=C=Cc1ccccc1)CO 238111653 573785486 /nfs/dbraw/zinc/78/54/86/573785486.db2.gz DILMNMJJAMQDRC-UHFFFAOYSA-N 0 0 188.270 2.873 10 0 AFAERN Cc1cc(C(F)F)c(CF)cn1 238503396 573785487 /nfs/dbraw/zinc/78/54/87/573785487.db2.gz BHIIZHJGODNWNC-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CC(C)=C(C)C[C@@H](O)C1CC1 238111782 573785512 /nfs/dbraw/zinc/78/55/12/573785512.db2.gz AXKMRJGFVZZZHI-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H](O)[C@@H](C)Nc1ccc(Cl)cc1 87126774 573784680 /nfs/dbraw/zinc/78/46/80/573784680.db2.gz WFRPCSYKZBXPHF-SFYZADRCSA-N 0 0 199.681 2.521 10 0 AFAERN OCC[C@@H]1CCCc2cccc(F)c21 257877294 573784719 /nfs/dbraw/zinc/78/47/19/573784719.db2.gz UWNOELLPNCWJDS-JTQLQIEISA-N 0 0 194.249 2.628 10 0 AFAERN C[C@]12CCC(=O)[C@@H]1CC1=C2CCC1 238503902 573784724 /nfs/dbraw/zinc/78/47/24/573784724.db2.gz BBFLZDVNRBJABB-CMPLNLGQSA-N 0 0 176.259 2.856 10 0 AFAERN CC1=C([C@H](C)O)[C@H](C)C=C1C(C)C 238110506 573784819 /nfs/dbraw/zinc/78/48/19/573784819.db2.gz WGRKKWMEAQTENJ-SCZZXKLOSA-N 0 0 180.291 2.916 10 0 AFAERN Cc1nc(C(F)F)cc(N)c1Cl 238503638 573784867 /nfs/dbraw/zinc/78/48/67/573784867.db2.gz XSGJAEBBQGKWKS-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCOc1nc2cc(C)c(C)cc2[nH]1 87117194 573784893 /nfs/dbraw/zinc/78/48/93/573784893.db2.gz YJRBEFLGHXOSDP-UHFFFAOYSA-N 0 0 190.246 2.578 10 0 AFAERN Oc1cccc2c(C3CCC3)[nH]nc12 257877249 573785024 /nfs/dbraw/zinc/78/50/24/573785024.db2.gz UUMYPLHLBIGVBC-UHFFFAOYSA-N 0 0 188.230 2.536 10 0 AFAERN C[C@H](Nc1ccccc1Cl)[C@@H](C)O 87126851 573785035 /nfs/dbraw/zinc/78/50/35/573785035.db2.gz RNGIBTITPXDDPD-JGVFFNPUSA-N 0 0 199.681 2.521 10 0 AFAERN CC(=O)[C@@H]1CCCc2cccc(F)c21 108373075 573785051 /nfs/dbraw/zinc/78/50/51/573785051.db2.gz VDMFTCFSYXLLTQ-JTQLQIEISA-N 0 0 192.233 2.835 10 0 AFAERN CC(C)C1=CC[C@@]2(C)C(=O)CC[C@@H]12 238110248 573785053 /nfs/dbraw/zinc/78/50/53/573785053.db2.gz SSTVCCVOLVPYCA-CMPLNLGQSA-N 0 0 178.275 2.958 10 0 AFAERN CC(=O)[C@H]1CCc2c(F)cccc2C1 108373085 573785114 /nfs/dbraw/zinc/78/51/14/573785114.db2.gz ZQCVWWZCCWXVIA-VIFPVBQESA-N 0 0 192.233 2.520 10 0 AFAERN C[C@]12CCC(=O)C[C@]1(C)CC2 238503296 573785127 /nfs/dbraw/zinc/78/51/27/573785127.db2.gz QPXADPSHDDFNNL-ZJUUUORDSA-N 0 0 152.237 2.546 10 0 AFAERN CC(=O)CS/C(Cl)=C/Cl 238111536 573785548 /nfs/dbraw/zinc/78/55/48/573785548.db2.gz KNMMALVFBIZXAT-GORDUTHDSA-N 0 0 185.075 2.585 10 0 AFAERN CC/C=C(/NC(C)=O)c1ccccc1 100240065 573785247 /nfs/dbraw/zinc/78/52/47/573785247.db2.gz FNTSKAYFYGJOMM-KPKJPENVSA-N 0 0 189.258 2.574 10 0 AFAERN CC1=C([C@H](C)O)[C@@H](C)C=C1C(C)C 238111352 573785266 /nfs/dbraw/zinc/78/52/66/573785266.db2.gz WGRKKWMEAQTENJ-WPRPVWTQSA-N 0 0 180.291 2.916 10 0 AFAERN CC(C)(CO)C1=CCCCCC1 238111258 573785276 /nfs/dbraw/zinc/78/52/76/573785276.db2.gz YBMLSJLRKJBPRS-UHFFFAOYSA-N 0 0 168.280 2.895 10 0 AFAERN CC(C)(CO)CC1CCSCC1 238112154 573785294 /nfs/dbraw/zinc/78/52/94/573785294.db2.gz FFGKFZREALZLPR-UHFFFAOYSA-N 0 0 188.336 2.538 10 0 AFAERN CC(C)C1=CC[C@H](C)C[C@H]1CO 238109819 573785325 /nfs/dbraw/zinc/78/53/25/573785325.db2.gz JHLVVTZSOSSPHH-UWVGGRQHSA-N 0 0 168.280 2.607 10 0 AFAERN CC/C=C\CCCC[C@H](F)CO 213651755 573785371 /nfs/dbraw/zinc/78/53/71/573785371.db2.gz SJUDFWQOSJJEEW-XOULXFPDSA-N 0 0 174.259 2.843 10 0 AFAERN OCC[C@H]1CCCc2cccc(F)c21 257877295 573786159 /nfs/dbraw/zinc/78/61/59/573786159.db2.gz UWNOELLPNCWJDS-SNVBAGLBSA-N 0 0 194.249 2.628 10 0 AFAERN CC(=O)[C@H]1CCCc2cccc(F)c21 108373076 573785577 /nfs/dbraw/zinc/78/55/77/573785577.db2.gz VDMFTCFSYXLLTQ-SNVBAGLBSA-N 0 0 192.233 2.835 10 0 AFAERN CC(=O)c1cc(F)cc(F)c1Cl 108372490 573785660 /nfs/dbraw/zinc/78/56/60/573785660.db2.gz VZIDXGZZJBYOSW-UHFFFAOYSA-N 0 0 190.576 2.821 10 0 AFAERN c1cc2c3c(c1)NCCC[C@@H]3CC2 238112197 573785664 /nfs/dbraw/zinc/78/56/64/573785664.db2.gz CKTCNHDJIHPPNU-SNVBAGLBSA-N 0 0 173.259 2.922 10 0 AFAERN CC(C)=C(C)Cc1ccc(CO)o1 238112338 573785733 /nfs/dbraw/zinc/78/57/33/573785733.db2.gz BZKPNZNWPGGMGE-UHFFFAOYSA-N 0 0 180.247 2.671 10 0 AFAERN CCC(CC)CNc1ccnn1CC 308740382 573785810 /nfs/dbraw/zinc/78/58/10/573785810.db2.gz OHXYLIYJKWNTFH-UHFFFAOYSA-N 0 0 195.310 2.751 10 0 AFAERN Cc1c(F)ccc(OC2CC2)c1C 238503293 573785820 /nfs/dbraw/zinc/78/58/20/573785820.db2.gz XDAXNWCZMYARLP-UHFFFAOYSA-N 0 0 180.222 2.984 10 0 AFAERN CCCCNc1ccc(C2CC2)nn1 308738281 573785847 /nfs/dbraw/zinc/78/58/47/573785847.db2.gz MYTZHNWSNGWJST-UHFFFAOYSA-N 0 0 191.278 2.566 10 0 AFAERN C=CC1=CC[C@H]2CC(=O)CC[C@]12C 238502641 573785947 /nfs/dbraw/zinc/78/59/47/573785947.db2.gz ZNQNNASAOPHKHW-CMPLNLGQSA-N 0 0 176.259 2.878 10 0 AFAERN OCc1ccc2cccc(Cl)c2c1 108373244 573785952 /nfs/dbraw/zinc/78/59/52/573785952.db2.gz ZHIAURDEMVDLAY-UHFFFAOYSA-N 0 0 192.645 2.986 10 0 AFAERN CC[C@]1(C)CC(=O)c2ccccc2N1 108371978 573785959 /nfs/dbraw/zinc/78/59/59/573785959.db2.gz FAYBRYYLBIIHDM-GFCCVEGCSA-N 0 0 189.258 2.854 10 0 AFAERN CCCC[C@@H](C)Nc1cc(C)nn1C 308737247 573785963 /nfs/dbraw/zinc/78/59/63/573785963.db2.gz MDGSEHYZPPAVEE-SECBINFHSA-N 0 0 195.310 2.719 10 0 AFAERN Cc1ccc(F)c(-c2nncs2)c1 238503548 573785967 /nfs/dbraw/zinc/78/59/67/573785967.db2.gz KNABLQYLFLSCIG-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN CS[C@H](C)c1ccc(O)cc1 259620082 573785988 /nfs/dbraw/zinc/78/59/88/573785988.db2.gz FCNYVPZMYZRTBO-SSDOTTSWSA-N 0 0 168.261 2.816 10 0 AFAERN CCCCc1nc(NC)sc1C 258947309 573786057 /nfs/dbraw/zinc/78/60/57/573786057.db2.gz YTHKNSFMHFDAJL-UHFFFAOYSA-N 0 0 184.308 2.836 10 0 AFAERN C[C@@]1(c2ccccc2Cl)CCC1=O 238503711 573786102 /nfs/dbraw/zinc/78/61/02/573786102.db2.gz FLTXEWZQAINGCG-NSHDSACASA-N 0 0 194.661 2.961 10 0 AFAERN CC(=O)[C@H]1CCCc2cc(F)ccc21 108373044 573786235 /nfs/dbraw/zinc/78/62/35/573786235.db2.gz AGFWIYKABJPTRV-LLVKDONJSA-N 0 0 192.233 2.835 10 0 AFAERN C[C@H]1C[C@@H](O)c2c(O)ccc(Cl)c21 238504742 573789557 /nfs/dbraw/zinc/78/95/57/573789557.db2.gz YEQMPDICMFNSKH-YLWLKBPMSA-N 0 0 198.649 2.586 10 0 AFAERN C[C@H](Nc1cccc(Cl)c1)[C@@H](C)O 87126746 573787875 /nfs/dbraw/zinc/78/78/75/573787875.db2.gz HZQHKIAQZFOQLQ-JGVFFNPUSA-N 0 0 199.681 2.521 10 0 AFAERN Cc1c(N)cc(C(F)F)nc1Cl 238516977 573789550 /nfs/dbraw/zinc/78/95/50/573789550.db2.gz WKKHIRFVHVQCRW-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC[C@@H](C)n1cc(C=O)c(C(C)C)n1 40931025 573787880 /nfs/dbraw/zinc/78/78/80/573787880.db2.gz SONDFHDGJLQIAH-SECBINFHSA-N 0 0 194.278 2.790 10 0 AFAERN CCOc1nc2cc(Cl)ccc2[nH]1 87117213 573787882 /nfs/dbraw/zinc/78/78/82/573787882.db2.gz PSJDVKPJMCOJAD-UHFFFAOYSA-N 0 0 196.637 2.615 10 0 AFAERN CC(=O)[C@@]12CC[C@@H]([C@@H](C)C1)[C@@H]2C 238516833 573787952 /nfs/dbraw/zinc/78/79/52/573787952.db2.gz QVHOFFUTKKYVKI-UUTMEEIUSA-N 0 0 166.264 2.648 10 0 AFAERN FC(F)(F)CNc1cccs1 259185426 573787984 /nfs/dbraw/zinc/78/79/84/573787984.db2.gz VIKVNVHYTZOFPE-UHFFFAOYSA-N 0 0 181.182 2.722 10 0 AFAERN CC[C@H](C)n1cc(C=O)c(C(C)C)n1 40931027 573788211 /nfs/dbraw/zinc/78/82/11/573788211.db2.gz SONDFHDGJLQIAH-VIFPVBQESA-N 0 0 194.278 2.790 10 0 AFAERN CC(C)=C(C)[C@H](O)C1(C)CC1 238113013 573788228 /nfs/dbraw/zinc/78/82/28/573788228.db2.gz QNMROZRLBGWPHR-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN C[C@@H]1S[C@H](C)c2c[nH]cc21 238516943 573789583 /nfs/dbraw/zinc/78/95/83/573789583.db2.gz LUBANDMENDNDBA-OLQVQODUSA-N 0 0 153.250 2.884 10 0 AFAERN Cc1ccc2c(C)nc(Cl)nc2c1 238517433 573788296 /nfs/dbraw/zinc/78/82/96/573788296.db2.gz USUBQTNPVRJOCQ-UHFFFAOYSA-N 0 0 192.649 2.900 10 0 AFAERN CCOC(=O)/C(CC)=C1/C[C@@H](C)[C@@H]1C 716778478 573788299 /nfs/dbraw/zinc/78/82/99/573788299.db2.gz HAZQJFNWUKDJPU-DUXYUNCLSA-N 0 0 196.290 2.932 10 0 AFAERN Cc1cc(C(F)F)nc(Cl)c1N 238517425 573788401 /nfs/dbraw/zinc/78/84/01/573788401.db2.gz ROEGPOHMPSGUOD-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1[nH]c(C(F)F)cc(=O)c1Cl 238504402 573788431 /nfs/dbraw/zinc/78/84/31/573788431.db2.gz CEGKCSKHFQBTGM-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CC(C)(C)[Si](C)(C)[C@H](O)C1CC1 238114280 573788434 /nfs/dbraw/zinc/78/84/34/573788434.db2.gz KKEUOQULTRXPJJ-VIFPVBQESA-N 0 0 186.371 2.805 10 0 AFAERN Cc1cc(C(F)F)nc(Cl)c1O 238517496 573788449 /nfs/dbraw/zinc/78/84/49/573788449.db2.gz DIDQDAMZTSBTQE-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN OC/C=C/c1cccc(C(F)F)c1 125099673 573788490 /nfs/dbraw/zinc/78/84/90/573788490.db2.gz NSAYWPICHIKFDM-DUXPYHPUSA-N 0 0 184.185 2.630 10 0 AFAERN CC(=O)N[C@@H]1CC(=C(C)C)CC=C1C 238114417 573788588 /nfs/dbraw/zinc/78/85/88/573788588.db2.gz VPKYIFRNBWGXBN-GFCCVEGCSA-N 0 0 193.290 2.568 10 0 AFAERN CC/C=C(\C)C(=O)OCC(C)(C)C 308433243 573788667 /nfs/dbraw/zinc/78/86/67/573788667.db2.gz USQRJQHVEPGUCF-VQHVLOKHSA-N 0 0 184.279 2.932 10 0 AFAERN CCC(CC)n1nc(C(C)C)cc1N 40931869 573788689 /nfs/dbraw/zinc/78/86/89/573788689.db2.gz SPETXXOGXDZNAK-UHFFFAOYSA-N 0 0 195.310 2.950 10 0 AFAERN C[C@H]1S[C@H](C)c2c[nH]cc21 238517233 573788707 /nfs/dbraw/zinc/78/87/07/573788707.db2.gz LUBANDMENDNDBA-PHDIDXHHSA-N 0 0 153.250 2.884 10 0 AFAERN CC(C)=C(C)[C@H](O)Cc1ccccc1 238113045 573788839 /nfs/dbraw/zinc/78/88/39/573788839.db2.gz HGIXOOVJAKAMHE-CYBMUJFWSA-N 0 0 190.286 2.946 10 0 AFAERN CC(C)(C)[Si](C)(C)[C@@H](O)C1CC1 238114022 573788845 /nfs/dbraw/zinc/78/88/45/573788845.db2.gz KKEUOQULTRXPJJ-SECBINFHSA-N 0 0 186.371 2.805 10 0 AFAERN CC(C)(C)/C(=C/CO)[Si](C)(C)C 238114481 573788888 /nfs/dbraw/zinc/78/88/88/573788888.db2.gz SRJAPNJMHPGDPO-CLFYSBASSA-N 0 0 186.371 2.829 10 0 AFAERN CCC1(CC)CCCC(=O)C1 79270831 573788890 /nfs/dbraw/zinc/78/88/90/573788890.db2.gz MNCVFIFDMILYCN-UHFFFAOYSA-N 0 0 154.253 2.936 10 0 AFAERN CC(C)=CC/C=C(/C)CCO 33839435 573788951 /nfs/dbraw/zinc/78/89/51/573788951.db2.gz DTHIOPUFUOMHAY-POHAHGRESA-N 0 0 154.253 2.671 10 0 AFAERN CC(=O)/C=C(\C)c1cc(C)oc1C 388441943 573789660 /nfs/dbraw/zinc/78/96/60/573789660.db2.gz GLGNZBRDMOMCLX-FNORWQNLSA-N 0 0 178.231 2.889 10 0 AFAERN Cc1c2n(c3ccccc13)CCCN2 238517379 573789003 /nfs/dbraw/zinc/78/90/03/573789003.db2.gz ZWZQYWNBLONLPD-UHFFFAOYSA-N 0 0 186.258 2.765 10 0 AFAERN Cc1cc(C(F)F)nc(F)c1F 238518059 573789074 /nfs/dbraw/zinc/78/90/74/573789074.db2.gz VQTJIRJUHXJWCM-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Cc1cc(Cl)[nH]c(=O)c1C(F)F 238518088 573789187 /nfs/dbraw/zinc/78/91/87/573789187.db2.gz BRKQKJUASSREGB-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1csc(-c2ccc(N)s2)n1 238504430 573789290 /nfs/dbraw/zinc/78/92/90/573789290.db2.gz RHPXMDORNXTOSW-UHFFFAOYSA-N 0 0 196.300 2.762 10 0 AFAERN Cc1cc(Cl)nc(N)c1C(F)F 238517823 573789315 /nfs/dbraw/zinc/78/93/15/573789315.db2.gz RDIDMECNDXOHBI-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CC(C)c1cc(N=O)ccc1O 100266841 573789316 /nfs/dbraw/zinc/78/93/16/573789316.db2.gz CLADXCXEDHMSHV-UHFFFAOYSA-N 0 0 165.192 2.914 10 0 AFAERN CNc1ncc(CC2CCCCC2)o1 258942654 573789409 /nfs/dbraw/zinc/78/94/09/573789409.db2.gz YJMMJDFNWYFFQD-UHFFFAOYSA-N 0 0 194.278 2.839 10 0 AFAERN CCOC(=O)/C(CC)=C1\C[C@@H](C)[C@@H]1C 716778480 573789441 /nfs/dbraw/zinc/78/94/41/573789441.db2.gz HAZQJFNWUKDJPU-KKKOKTMOSA-N 0 0 196.290 2.932 10 0 AFAERN Cc1cc(C(F)F)nc(F)c1C 238517672 573789644 /nfs/dbraw/zinc/78/96/44/573789644.db2.gz WFQRJEMAINNXMM-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Cc1ccc2c(c1)[C@@H](C)C[C@H]2O 238504781 573789746 /nfs/dbraw/zinc/78/97/46/573789746.db2.gz QJFSAMGKCDDMOX-GZMMTYOYSA-N 0 0 162.232 2.536 10 0 AFAERN CCC(CC)n1ncc(C(C)=O)c1C 40931605 573789768 /nfs/dbraw/zinc/78/97/68/573789768.db2.gz DKJMWSVQGXHNEV-UHFFFAOYSA-N 0 0 194.278 2.755 10 0 AFAERN C/C(=C\[C@@H](C)O)c1cccc(F)c1 388445087 573789957 /nfs/dbraw/zinc/78/99/57/573789957.db2.gz JWUSNPFARJANQF-BNICOGTQSA-N 0 0 180.222 2.610 10 0 AFAERN Cc1ccc2c(C[C@H](C)O)coc2c1 257874104 573790011 /nfs/dbraw/zinc/79/00/11/573790011.db2.gz IUEBVWHTARXPQA-VIFPVBQESA-N 0 0 190.242 2.665 10 0 AFAERN Cc1ccc2c(C[C@@H](C)O)coc2c1 257874103 573790016 /nfs/dbraw/zinc/79/00/16/573790016.db2.gz IUEBVWHTARXPQA-SECBINFHSA-N 0 0 190.242 2.665 10 0 AFAERN CC(C)C[C@@H](NN)C1C(C)(C)C1(C)C 127295400 573790053 /nfs/dbraw/zinc/79/00/53/573790053.db2.gz ATDUMUIYIOVYGZ-SECBINFHSA-N 0 0 198.354 2.547 10 0 AFAERN Cc1cccc2oc([C@H](C)O)cc12 257874055 573790118 /nfs/dbraw/zinc/79/01/18/573790118.db2.gz ISXRYHYXFDWFIR-QMMMGPOBSA-N 0 0 176.215 2.795 10 0 AFAERN C[C@@]12CC=CC[C@@H](CCC1)C2=O 238516956 573790154 /nfs/dbraw/zinc/79/01/54/573790154.db2.gz VFIWNEXWXUXTRG-GXSJLCMTSA-N 0 0 164.248 2.712 10 0 AFAERN COCCCCC[C@@H](O)CC(C)C 131108188 573790195 /nfs/dbraw/zinc/79/01/95/573790195.db2.gz IBVSBCZAZNNMAT-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CC(=O)C[C@H]1C=C(C)CCC1 238116858 573790407 /nfs/dbraw/zinc/79/04/07/573790407.db2.gz UEOSSJJOERVADD-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN C/C(=C\[C@H](C)O)c1cccc(F)c1 388445088 573790464 /nfs/dbraw/zinc/79/04/64/573790464.db2.gz JWUSNPFARJANQF-ORZBULNSSA-N 0 0 180.222 2.610 10 0 AFAERN CNc1ccc(N(C)C(C)(C)C)cc1 259187658 573790573 /nfs/dbraw/zinc/79/05/73/573790573.db2.gz HWYHPJVRGHSTOG-UHFFFAOYSA-N 0 0 192.306 2.963 10 0 AFAERN CCOC(=O)/C(CC)=C1\C[C@@H](C)[C@H]1C 716778475 573790639 /nfs/dbraw/zinc/79/06/39/573790639.db2.gz HAZQJFNWUKDJPU-CMDNNSEDSA-N 0 0 196.290 2.932 10 0 AFAERN C[C@H]1C[C@@H](O)c2ccc(Cl)cc21 238504797 573790780 /nfs/dbraw/zinc/79/07/80/573790780.db2.gz YTPVKEDOYUCOQQ-QUBYGPBYSA-N 0 0 182.650 2.881 10 0 AFAERN Cc1ccc(C(C)C)cc1N(C)CO 258944126 573790813 /nfs/dbraw/zinc/79/08/13/573790813.db2.gz QRAKKWULUJQDCH-UHFFFAOYSA-N 0 0 193.290 2.504 10 0 AFAERN C/C=C/C=C\COC(=O)CCCC 308440220 573790998 /nfs/dbraw/zinc/79/09/98/573790998.db2.gz YQEHGMCDXQEROL-AXDYLVROSA-N 0 0 182.263 2.852 10 0 AFAERN CC(C)/C(=C/CO)c1ccc(F)cc1 258130195 573791073 /nfs/dbraw/zinc/79/10/73/573791073.db2.gz QGKXWBKNNNKOMV-GHXNOFRVSA-N 0 0 194.249 2.857 10 0 AFAERN Cc1csc(-c2cccnc2)c1N 238504513 573791162 /nfs/dbraw/zinc/79/11/62/573791162.db2.gz JWSNTFPKWQYELC-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CC/C=C(\C)C(=O)OC1(C)CCC1 308434342 573791204 /nfs/dbraw/zinc/79/12/04/573791204.db2.gz VHNBLZPLZGQTAX-RMKNXTFCSA-N 0 0 182.263 2.829 10 0 AFAERN COCCCCC[C@H](O)CC(C)C 131108396 573791215 /nfs/dbraw/zinc/79/12/15/573791215.db2.gz IBVSBCZAZNNMAT-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN C/C=C/C=C/COC(=O)CCCC 308440221 573791444 /nfs/dbraw/zinc/79/14/44/573791444.db2.gz YQEHGMCDXQEROL-VSAQMIDASA-N 0 0 182.263 2.852 10 0 AFAERN CC(C)(C)[C@H]1Nc2ccccc2C1=O 238104268 573792043 /nfs/dbraw/zinc/79/20/43/573792043.db2.gz DCONCOLDEYLHOA-NSHDSACASA-N 0 0 189.258 2.710 10 0 AFAERN CC(C)C[C@H](NN)C1C(C)(C)C1(C)C 127295226 573791500 /nfs/dbraw/zinc/79/15/00/573791500.db2.gz ATDUMUIYIOVYGZ-VIFPVBQESA-N 0 0 198.354 2.547 10 0 AFAERN CCOC(=O)/C(CC)=C1/C[C@@H](C)[C@H]1C 716778482 573791512 /nfs/dbraw/zinc/79/15/12/573791512.db2.gz HAZQJFNWUKDJPU-YLARODJSSA-N 0 0 196.290 2.932 10 0 AFAERN Cc1cccc2oc([C@@H](C)O)cc12 257874053 573791682 /nfs/dbraw/zinc/79/16/82/573791682.db2.gz ISXRYHYXFDWFIR-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN COCNc1ccc(C)c(C)c1C 259185502 573791696 /nfs/dbraw/zinc/79/16/96/573791696.db2.gz VJZRTFHWJGWYEA-UHFFFAOYSA-N 0 0 179.263 2.628 10 0 AFAERN CCCCCC(=O)c1ncccc1F 131108948 573791708 /nfs/dbraw/zinc/79/17/08/573791708.db2.gz IJZUZSRSWCPIEI-UHFFFAOYSA-N 0 0 195.237 2.984 10 0 AFAERN CC(C)(C)[C@H]1CCc2nc[nH]c2CC1 238102628 573791808 /nfs/dbraw/zinc/79/18/08/573791808.db2.gz VIYMJNSYEMQDAR-UHFFFAOYSA-N 0 0 192.306 2.951 10 0 AFAERN FC(F)=C(F)/C=C/Cl 238518361 573791933 /nfs/dbraw/zinc/79/19/33/573791933.db2.gz VMIFKDNQRPKERU-OWOJBTEDSA-N 0 0 142.507 2.817 10 0 AFAERN CC(=O)C1C(C(C)C)=C1C(C)C 238104533 573793034 /nfs/dbraw/zinc/79/30/34/573793034.db2.gz YDEZCYLQLAGAGO-UHFFFAOYSA-N 0 0 166.264 2.814 10 0 AFAERN CCCC[C@H](C)c1n[nH]cc1C=O 393590007 573793090 /nfs/dbraw/zinc/79/30/90/573793090.db2.gz LSIDXNYRZYPXKL-QMMMGPOBSA-N 0 0 180.251 2.516 10 0 AFAERN CCCCC1CCC([C@@H](C)NN)CC1 127147914 573793207 /nfs/dbraw/zinc/79/32/07/573793207.db2.gz QGGCBQPDMOTUQZ-VOMCLLRMSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1ccc(F)c([C@H](C)[C@@H](C)O)c1 87141810 573796309 /nfs/dbraw/zinc/79/63/09/573796309.db2.gz WZGYUTZXEFCSSJ-RKDXNWHRSA-N 0 0 182.238 2.618 10 0 AFAERN C[C@H](CO)c1cc2cc(F)ccc2o1 257878357 573796314 /nfs/dbraw/zinc/79/63/14/573796314.db2.gz JLFAREMFBIQYSG-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN O=C1CC[C@H](c2ccc(Cl)cn2)C1 238520082 573797195 /nfs/dbraw/zinc/79/71/95/573797195.db2.gz CUUYABFJLFERFD-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN C[C@H](F)CCOc1ccc(O)cc1 78201144 573796401 /nfs/dbraw/zinc/79/64/01/573796401.db2.gz JQTPUCFZSXCSJO-QMMMGPOBSA-N 0 0 184.210 2.519 10 0 AFAERN CSCCC[C@@H]1CCC(=O)[C@@H]1C 131234136 573796554 /nfs/dbraw/zinc/79/65/54/573796554.db2.gz GWVRQXLKKFFJOW-RKDXNWHRSA-N 0 0 186.320 2.745 10 0 AFAERN C[C@@H](O)c1coc(C2CCCCC2)n1 257878138 573796574 /nfs/dbraw/zinc/79/65/74/573796574.db2.gz ABBIBROKEAGSAU-MRVPVSSYSA-N 0 0 195.262 2.776 10 0 AFAERN CSCCC[C@@H](C)CC(C)=O 131228519 573796647 /nfs/dbraw/zinc/79/66/47/573796647.db2.gz KCDUOQJQFQTNBN-MRVPVSSYSA-N 0 0 174.309 2.745 10 0 AFAERN CC/C=C(\C)C(=O)OCC(C)(C)F 308441451 573796709 /nfs/dbraw/zinc/79/67/09/573796709.db2.gz YZNXFEHLNARWSB-SOFGYWHQSA-N 0 0 188.242 2.634 10 0 AFAERN Cc1cc2ncsc2c(Cl)n1 238521418 573796756 /nfs/dbraw/zinc/79/67/56/573796756.db2.gz MEJLHWQKNOOFGY-UHFFFAOYSA-N 0 0 184.651 2.653 10 0 AFAERN Cc1cc([C@@H](C)[C@@H](C)O)ccc1F 87142204 573796761 /nfs/dbraw/zinc/79/67/61/573796761.db2.gz FISNTVIVEXDECX-DTWKUNHWSA-N 0 0 182.238 2.618 10 0 AFAERN Cc1coc(-c2ccc(C)nc2N)c1 716190544 573796821 /nfs/dbraw/zinc/79/68/21/573796821.db2.gz SEBXMKPQWZSIJW-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN C[C@@H]1C(=O)CC[C@]2(C)CCC=C[C@@H]12 238514648 573798117 /nfs/dbraw/zinc/79/81/17/573798117.db2.gz QMXNJVIKYBTEDK-NHCYSSNCSA-N 0 0 178.275 2.958 10 0 AFAERN C[C@@H](O)[C@@H](C)Sc1ccccc1 87139516 573796915 /nfs/dbraw/zinc/79/69/15/573796915.db2.gz ZPNZKTJWTXMMEW-RKDXNWHRSA-N 0 0 182.288 2.548 10 0 AFAERN Cc1ccc(S[C@@H](C)[C@@H](C)O)cc1 87139555 573796929 /nfs/dbraw/zinc/79/69/29/573796929.db2.gz VMXMURBNNKOYQG-ZJUUUORDSA-N 0 0 196.315 2.856 10 0 AFAERN CC(C)(C)c1ccc([C@H](O)CF)cc1 238124974 573797100 /nfs/dbraw/zinc/79/71/00/573797100.db2.gz HGVVSHNRXBPIGO-LLVKDONJSA-N 0 0 196.265 2.987 10 0 AFAERN Cc1coc([C@H](N)c2ccoc2C)c1 716186830 573797146 /nfs/dbraw/zinc/79/71/46/573797146.db2.gz CGOYGWCOIIHXJS-LLVKDONJSA-N 0 0 191.230 2.538 10 0 AFAERN Cc1c[nH]c(C(=O)CC(C)C)c1 238125829 573797157 /nfs/dbraw/zinc/79/71/57/573797157.db2.gz IWKMCSLFTIVXQR-UHFFFAOYSA-N 0 0 165.236 2.552 10 0 AFAERN Cc1cc([C@H](C)[C@@H](C)O)ccc1F 87142207 573797171 /nfs/dbraw/zinc/79/71/71/573797171.db2.gz FISNTVIVEXDECX-RKDXNWHRSA-N 0 0 182.238 2.618 10 0 AFAERN C[C@H](O)c1coc(C2CCCCC2)n1 257878141 573797223 /nfs/dbraw/zinc/79/72/23/573797223.db2.gz ABBIBROKEAGSAU-QMMMGPOBSA-N 0 0 195.262 2.776 10 0 AFAERN C[C@@H](F)CCOc1ccc(O)cc1 78201147 573797254 /nfs/dbraw/zinc/79/72/54/573797254.db2.gz JQTPUCFZSXCSJO-MRVPVSSYSA-N 0 0 184.210 2.519 10 0 AFAERN CC(=O)[C@@H](F)C1CCCCCC1 257878558 573798144 /nfs/dbraw/zinc/79/81/44/573798144.db2.gz LNTQNVWPEKHPBR-SNVBAGLBSA-N 0 0 172.243 2.884 10 0 AFAERN CC(C)=C1C[C@@H]2C(=O)CCC[C@@H]12 238124654 573797279 /nfs/dbraw/zinc/79/72/79/573797279.db2.gz MJVRCXPODNZETR-WPRPVWTQSA-N 0 0 164.248 2.712 10 0 AFAERN C/C=C(\C)[C@H](O)CCCc1ccco1 308441284 573797322 /nfs/dbraw/zinc/79/73/22/573797322.db2.gz FELFYPVDYRRHEY-QNDISFKXSA-N 0 0 194.274 2.929 10 0 AFAERN Cc1ccccc1S[C@H](C)[C@@H](C)O 87139898 573797327 /nfs/dbraw/zinc/79/73/27/573797327.db2.gz ZRIXQEQPAWNSMY-NXEZZACHSA-N 0 0 196.315 2.856 10 0 AFAERN Cc1ccc(S[C@H](C)[C@@H](C)O)cc1 87139556 573797812 /nfs/dbraw/zinc/79/78/12/573797812.db2.gz VMXMURBNNKOYQG-NXEZZACHSA-N 0 0 196.315 2.856 10 0 AFAERN Clc1cccc2c1NCC1(CC1)O2 259191445 573797486 /nfs/dbraw/zinc/79/74/86/573797486.db2.gz KEGXEQKUZFDHDT-UHFFFAOYSA-N 0 0 195.649 2.677 10 0 AFAERN CC/C=C(/C)C(=O)OCC(C)(C)F 308441453 573797517 /nfs/dbraw/zinc/79/75/17/573797517.db2.gz YZNXFEHLNARWSB-VURMDHGXSA-N 0 0 188.242 2.634 10 0 AFAERN CC(C)(C)c1ccc([C@@H](O)CF)cc1 238124655 573797578 /nfs/dbraw/zinc/79/75/78/573797578.db2.gz HGVVSHNRXBPIGO-NSHDSACASA-N 0 0 196.265 2.987 10 0 AFAERN C[C@H](O)[C@@H](C)Sc1ccccc1 87139513 573797597 /nfs/dbraw/zinc/79/75/97/573797597.db2.gz ZPNZKTJWTXMMEW-DTWKUNHWSA-N 0 0 182.288 2.548 10 0 AFAERN Cc1ccc(F)c([C@@H](C)[C@@H](C)O)c1 87141807 573797632 /nfs/dbraw/zinc/79/76/32/573797632.db2.gz WZGYUTZXEFCSSJ-DTWKUNHWSA-N 0 0 182.238 2.618 10 0 AFAERN Cc1ccc(C(=O)CC(C)C)c(O)c1 238126065 573797667 /nfs/dbraw/zinc/79/76/67/573797667.db2.gz XAENTQXVTHZJHH-UHFFFAOYSA-N 0 0 192.258 2.929 10 0 AFAERN Cc1ccccc1S[C@H](C)[C@H](C)O 87139903 573797672 /nfs/dbraw/zinc/79/76/72/573797672.db2.gz ZRIXQEQPAWNSMY-VHSXEESVSA-N 0 0 196.315 2.856 10 0 AFAERN Cc1ccc(F)c([C@@H](C)[C@H](C)O)c1 87141814 573797694 /nfs/dbraw/zinc/79/76/94/573797694.db2.gz WZGYUTZXEFCSSJ-IUCAKERBSA-N 0 0 182.238 2.618 10 0 AFAERN CC(C)C[C@@H](C)Nc1cccnc1N 122698399 573797708 /nfs/dbraw/zinc/79/77/08/573797708.db2.gz AFXAZOHTRSCHEW-SECBINFHSA-N 0 0 193.294 2.510 10 0 AFAERN Cc1nc(CCc2cccs2)c[nH]1 238514406 573797929 /nfs/dbraw/zinc/79/79/29/573797929.db2.gz YXIPTKUWRNCYFM-UHFFFAOYSA-N 0 0 192.287 2.565 10 0 AFAERN CC(=O)S/C(Cl)=C/Cl 238125600 573797967 /nfs/dbraw/zinc/79/79/67/573797967.db2.gz JBOVMXBELSAETQ-DUXPYHPUSA-N 0 0 171.048 2.543 10 0 AFAERN Cc1cc2csc(N)c2c(=S)[nH]1 238515474 573797988 /nfs/dbraw/zinc/79/79/88/573797988.db2.gz PQXCXWKJHRBOMD-UHFFFAOYSA-N 0 0 196.300 2.850 10 0 AFAERN Cc1cc(Cl)cnc1C(F)F 238515263 573798036 /nfs/dbraw/zinc/79/80/36/573798036.db2.gz FIVLLFJPTOCNFU-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN CC(=O)[C@]12CCCCCC[C@H]1C2 238105472 573800796 /nfs/dbraw/zinc/80/07/96/573800796.db2.gz ARQVHKRGBHHFJM-WDEREUQCSA-N 0 0 166.264 2.936 10 0 AFAERN C[C@@H](CO)c1cccc(C(F)F)c1 258128886 573798228 /nfs/dbraw/zinc/79/82/28/573798228.db2.gz RJSJOEAKRDRXHT-ZETCQYMHSA-N 0 0 186.201 2.720 10 0 AFAERN Cc1ccccc1S[C@@H](C)[C@H](C)O 87139900 573798259 /nfs/dbraw/zinc/79/82/59/573798259.db2.gz ZRIXQEQPAWNSMY-UWVGGRQHSA-N 0 0 196.315 2.856 10 0 AFAERN Cc1cnc(Oc2cccc(F)c2)o1 257878685 573798307 /nfs/dbraw/zinc/79/83/07/573798307.db2.gz JRJJBUFBRBBHKY-UHFFFAOYSA-N 0 0 193.177 2.914 10 0 AFAERN CC(C)C[C@H](C)Nc1cccnc1N 122698605 573798313 /nfs/dbraw/zinc/79/83/13/573798313.db2.gz AFXAZOHTRSCHEW-VIFPVBQESA-N 0 0 193.294 2.510 10 0 AFAERN C[C@H](Sc1ccccc1)[C@@H](C)O 87139521 573798344 /nfs/dbraw/zinc/79/83/44/573798344.db2.gz ZPNZKTJWTXMMEW-BDAKNGLRSA-N 0 0 182.288 2.548 10 0 AFAERN Cc1cc2ccoc2cc1F 238513888 573798375 /nfs/dbraw/zinc/79/83/75/573798375.db2.gz SGZOOSALIIQNLN-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN Cc1ccc(S[C@H](C)[C@H](C)O)cc1 87139562 573798434 /nfs/dbraw/zinc/79/84/34/573798434.db2.gz VMXMURBNNKOYQG-VHSXEESVSA-N 0 0 196.315 2.856 10 0 AFAERN CC(=O)CC[C@H]1CCC1(C)C 238105080 573798506 /nfs/dbraw/zinc/79/85/06/573798506.db2.gz SCXDWVSWRGGLHX-VIFPVBQESA-N 0 0 154.253 2.792 10 0 AFAERN C[C@H](F)c1ccccc1C[C@@H](C)O 258128759 573798576 /nfs/dbraw/zinc/79/85/76/573798576.db2.gz RHQIFOUVMGOPAN-BDAKNGLRSA-N 0 0 182.238 2.640 10 0 AFAERN CSCCC[C@@H]1CCC(=O)[C@H]1C 131234372 573798577 /nfs/dbraw/zinc/79/85/77/573798577.db2.gz GWVRQXLKKFFJOW-DTWKUNHWSA-N 0 0 186.320 2.745 10 0 AFAERN CC[C@H](F)CNc1ccccc1OC 308732518 573798697 /nfs/dbraw/zinc/79/86/97/573798697.db2.gz KFDCGBZWSBHSAW-VIFPVBQESA-N 0 0 197.253 2.855 10 0 AFAERN Cc1cc([C@H](C)[C@H](C)O)ccc1F 87142212 573798699 /nfs/dbraw/zinc/79/86/99/573798699.db2.gz FISNTVIVEXDECX-BDAKNGLRSA-N 0 0 182.238 2.618 10 0 AFAERN CC(=O)[C@]12CCCCC[C@@H]1C2 238105501 573798782 /nfs/dbraw/zinc/79/87/82/573798782.db2.gz IIVBYLMWVIJMNS-NXEZZACHSA-N 0 0 152.237 2.546 10 0 AFAERN CC(=O)[C@]12CCCCC[C@H]1C2 238105579 573798804 /nfs/dbraw/zinc/79/88/04/573798804.db2.gz IIVBYLMWVIJMNS-VHSXEESVSA-N 0 0 152.237 2.546 10 0 AFAERN CC[C@@H](F)CNc1ccccc1OC 308732517 573800798 /nfs/dbraw/zinc/80/07/98/573800798.db2.gz KFDCGBZWSBHSAW-SECBINFHSA-N 0 0 197.253 2.855 10 0 AFAERN C[C@@H](F)Cc1cccc(CCCO)c1 258128690 573800485 /nfs/dbraw/zinc/80/04/85/573800485.db2.gz RGRMIXFBMPYIKK-SNVBAGLBSA-N 0 0 196.265 2.512 10 0 AFAERN CC[C@@H](C)Nc1cc(C)ccc1N 87149454 573800461 /nfs/dbraw/zinc/80/04/61/573800461.db2.gz QXNZCBJGYCDJMZ-SECBINFHSA-N 0 0 178.279 2.788 10 0 AFAERN CC(=O)CC[C@H]1C[C@@H]2CC[C@H]1C2 238105655 573800501 /nfs/dbraw/zinc/80/05/01/573800501.db2.gz MIHZIXWMJFQQDI-DCAQKATOSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H](F)c1ccccc1CCCO 258131293 573800518 /nfs/dbraw/zinc/80/05/18/573800518.db2.gz RNIGTASZZRBFKX-SECBINFHSA-N 0 0 182.238 2.642 10 0 AFAERN C[C@H](O)c1c(F)cc(F)c2occc12 258128797 573800595 /nfs/dbraw/zinc/80/05/95/573800595.db2.gz RIBYPTWIRIFVSM-YFKPBYRVSA-N 0 0 198.168 2.764 10 0 AFAERN Cc1cccc([C@H]2CCC(=O)C2)c1O 238514989 573800659 /nfs/dbraw/zinc/80/06/59/573800659.db2.gz WZKGVIWPHIBXRX-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN C[C@@H](O)Cc1ccccc1[C@@H](C)F 258128771 573800672 /nfs/dbraw/zinc/80/06/72/573800672.db2.gz RHQIFOUVMGOPAN-RKDXNWHRSA-N 0 0 182.238 2.640 10 0 AFAERN CC(=O)CC[C@H]1C=CC1(C)C 238104950 573800686 /nfs/dbraw/zinc/80/06/86/573800686.db2.gz WOLWGKKRGUJPAH-VIFPVBQESA-N 0 0 152.237 2.568 10 0 AFAERN Cc1cccc([C@H]2CCCC2=O)c1F 238515420 573800745 /nfs/dbraw/zinc/80/07/45/573800745.db2.gz CNAKLNHMRQMESM-SECBINFHSA-N 0 0 192.233 2.971 10 0 AFAERN Cc1cc2ccsc2ccc1=O 238514155 573801992 /nfs/dbraw/zinc/80/19/92/573801992.db2.gz FAIDYBDCJSATLQ-UHFFFAOYSA-N 0 0 176.240 2.570 10 0 AFAERN CC(C)OCCCC(=O)C1CCCC1 127249841 573801945 /nfs/dbraw/zinc/80/19/45/573801945.db2.gz GTAXZLRWNHECQL-UHFFFAOYSA-N 0 0 198.306 2.951 10 0 AFAERN C=C=C[C@@H](O)c1c(C)cccc1C 238514281 573802008 /nfs/dbraw/zinc/80/20/08/573802008.db2.gz VDZJMFFRIKPSJW-LLVKDONJSA-N 0 0 174.243 2.678 10 0 AFAERN Cc1nc2cc(OC(C)C)ccc2[nH]1 76209574 573801622 /nfs/dbraw/zinc/80/16/22/573801622.db2.gz TZADDINOFYRSTG-UHFFFAOYSA-N 0 0 190.246 2.659 10 0 AFAERN CC(C)=C1CC=C(COC(N)=O)CC1 238120684 573801630 /nfs/dbraw/zinc/80/16/30/573801630.db2.gz ZUDKPAUHESAHFP-UHFFFAOYSA-N 0 0 195.262 2.528 10 0 AFAERN CCCCC[C@@H](O)c1ncccc1F 131258193 573801669 /nfs/dbraw/zinc/80/16/69/573801669.db2.gz QHFAERDXDGJRLJ-SNVBAGLBSA-N 0 0 197.253 2.834 10 0 AFAERN CC(=O)C[C@H]1C(C)(C)[C@@]1(C)Cl 238127717 573801683 /nfs/dbraw/zinc/80/16/83/573801683.db2.gz KLIVILIOJDCADB-CBAPKCEASA-N 0 0 174.671 2.619 10 0 AFAERN Cc1ccc(N)c(N[C@@H]2CC2(C)C)c1 87150030 573801684 /nfs/dbraw/zinc/80/16/84/573801684.db2.gz JKPOBSGJDVGLON-LLVKDONJSA-N 0 0 190.290 2.788 10 0 AFAERN C/C(=C\C[C@@H](O)C(C)C)C(F)(F)F 221967545 573801702 /nfs/dbraw/zinc/80/17/02/573801702.db2.gz OOSYIPDAKGLBEA-RXLGXGPVSA-N 0 0 196.212 2.902 10 0 AFAERN Cc1cc2ccsc2cc1O 238514129 573801721 /nfs/dbraw/zinc/80/17/21/573801721.db2.gz IBDVSXOWTHOXIS-UHFFFAOYSA-N 0 0 164.229 2.915 10 0 AFAERN CCCC[C@H](F)CCCCO 213655613 573801748 /nfs/dbraw/zinc/80/17/48/573801748.db2.gz LEHWJDBKUIXHIN-VIFPVBQESA-N 0 0 162.248 2.677 10 0 AFAERN Cc1ccc(N)c(N[C@H]2CC2(C)C)c1 87150031 573801765 /nfs/dbraw/zinc/80/17/65/573801765.db2.gz JKPOBSGJDVGLON-NSHDSACASA-N 0 0 190.290 2.788 10 0 AFAERN CCCCC(=O)OCCC1(C)CC1 308438007 573801769 /nfs/dbraw/zinc/80/17/69/573801769.db2.gz XPPDNMQOJZJJKY-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN Cc1cccc([C@H]2CCCC(=O)C2)n1 238515333 573801794 /nfs/dbraw/zinc/80/17/94/573801794.db2.gz HBVYAVZFOJDPLM-JTQLQIEISA-N 0 0 189.258 2.617 10 0 AFAERN Cc1ccc(N)c(N2CCC[C@H]2C)c1 87149781 573801800 /nfs/dbraw/zinc/80/18/00/573801800.db2.gz DCUAYFJDHNGKDF-SNVBAGLBSA-N 0 0 190.290 2.566 10 0 AFAERN CCC(CC)C(=O)OC[C@H]1C[C@H]1C 308443026 573801900 /nfs/dbraw/zinc/80/19/00/573801900.db2.gz ZVMNFYQRWVWJLJ-PSASIEDQSA-N 0 0 184.279 2.622 10 0 AFAERN CO/C=C\[C@@H](C)[C@@H](O)c1ccccc1 308439518 573805380 /nfs/dbraw/zinc/80/53/80/573805380.db2.gz BTLAIKMUYKMIGY-CHSRKAPTSA-N 0 0 192.258 2.516 10 0 AFAERN Cc1ccc([C@@]2(CO)C[C@@H]2C)cc1C 258959099 573805414 /nfs/dbraw/zinc/80/54/14/573805414.db2.gz GLMOMCZNNKVFIZ-WCQYABFASA-N 0 0 190.286 2.573 10 0 AFAERN CCC[C@H](O)CC(CC)CC 87171617 573805415 /nfs/dbraw/zinc/80/54/15/573805415.db2.gz ZHPJIXPOHJNPFZ-JTQLQIEISA-N 0 0 158.285 2.974 10 0 AFAERN CCC(CC)[C@@](C)(O)C1CC1 87158426 573805466 /nfs/dbraw/zinc/80/54/66/573805466.db2.gz QXJAEVMKFFKNMC-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1ccc([C@]2(CO)C[C@@H]2C)cc1C 258959094 573805478 /nfs/dbraw/zinc/80/54/78/573805478.db2.gz GLMOMCZNNKVFIZ-AAEUAGOBSA-N 0 0 190.286 2.573 10 0 AFAERN COCCCC[C@H]1CCCCC(=O)C1 131284950 573808618 /nfs/dbraw/zinc/80/86/18/573808618.db2.gz UGTJMSRUJSJFEO-LLVKDONJSA-N 0 0 198.306 2.953 10 0 AFAERN COCCCC[C@@H]1CCCC(=O)C1 131282674 573805601 /nfs/dbraw/zinc/80/56/01/573805601.db2.gz NVRATFAFKKGZBV-SNVBAGLBSA-N 0 0 184.279 2.562 10 0 AFAERN CCC(CC)[C@@H](C[C@H](C)CC)NN 131287390 573805653 /nfs/dbraw/zinc/80/56/53/573805653.db2.gz LASMVKYIJUWYSI-MWLCHTKSSA-N 0 0 186.343 2.691 10 0 AFAERN Cc1cccn2c(-c3ccco3)ncc12 258133906 573805657 /nfs/dbraw/zinc/80/56/57/573805657.db2.gz HBTZMVCRUZDFJK-UHFFFAOYSA-N 0 0 198.225 2.903 10 0 AFAERN CC(C)=C1[C@@H]2CC[C@H]1C(=O)C2(C)C 238127371 573805677 /nfs/dbraw/zinc/80/56/77/573805677.db2.gz RBYKTZCMHNHOFM-BDAKNGLRSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1c(C(F)F)cc(Cl)nc1N 238528140 573805695 /nfs/dbraw/zinc/80/56/95/573805695.db2.gz QIJORXVLQZZYIL-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C[C@@]1(O)CCCc2ccc(Cl)cc21 258132566 573805753 /nfs/dbraw/zinc/80/57/53/573805753.db2.gz QKTYNTLDJXHTPD-LLVKDONJSA-N 0 0 196.677 2.884 10 0 AFAERN Cc1ccc2c(C)c(O)ccc2c1O 238516693 573805723 /nfs/dbraw/zinc/80/57/23/573805723.db2.gz FWWIOOMCDICNLC-UHFFFAOYSA-N 0 0 188.226 2.868 10 0 AFAERN CC/C=C(\C)C(=O)OC[C@@H]1C[C@H]1C 308439048 573805747 /nfs/dbraw/zinc/80/57/47/573805747.db2.gz YDUCLVBKRDJLHZ-URNYOCNJSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)=C1CC[C@](C)(CO)C1 238123056 573809089 /nfs/dbraw/zinc/80/90/89/573809089.db2.gz NWCLJGWHJCRMEX-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN C[C@@H](F)c1ccc(CCCO)cc1 258136189 573809092 /nfs/dbraw/zinc/80/90/92/573809092.db2.gz RYVKZKHYARZYGI-SECBINFHSA-N 0 0 182.238 2.642 10 0 AFAERN C[C@H](CO)c1cc2ccoc2cc1F 258136254 573809100 /nfs/dbraw/zinc/80/91/00/573809100.db2.gz SBAYANVHJXSVEW-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1cccnc1N 122740191 573809101 /nfs/dbraw/zinc/80/91/01/573809101.db2.gz FRMGOKVLYPNZBZ-BDAKNGLRSA-N 0 0 193.294 2.510 10 0 AFAERN Cc1cc(F)cc2c1CC[C@H]2CCO 238530307 573809167 /nfs/dbraw/zinc/80/91/67/573809167.db2.gz JZIDFXYKBQSKKS-VIFPVBQESA-N 0 0 194.249 2.546 10 0 AFAERN Cc1sc(N)nc1CCC(C)C 258960586 573809175 /nfs/dbraw/zinc/80/91/75/573809175.db2.gz ZQMYGLWXHJIJKP-UHFFFAOYSA-N 0 0 184.308 2.622 10 0 AFAERN Cc1ccc(CC2(O)CC2)c(Cl)c1 258138632 573808441 /nfs/dbraw/zinc/80/84/41/573808441.db2.gz SFFMNOVJXUYCGF-UHFFFAOYSA-N 0 0 196.677 2.716 10 0 AFAERN CC(C)CC(F)(F)[C@H]1CCCCN1 257882332 573808451 /nfs/dbraw/zinc/80/84/51/573808451.db2.gz VQIUNSPEOSAOBN-SECBINFHSA-N 0 0 191.265 2.810 10 0 AFAERN CCC(CC)C[C@H](O)CC 87171622 573808572 /nfs/dbraw/zinc/80/85/72/573808572.db2.gz LIQZCQYEMARHFR-SECBINFHSA-N 0 0 144.258 2.584 10 0 AFAERN O=C(CCC(F)F)C1CCCC1 127273360 573808683 /nfs/dbraw/zinc/80/86/83/573808683.db2.gz VAPSPNWYPKOQFM-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN CC(C)=C1C[C@@H]2CCCC(=O)[C@@H]12 238128829 573808745 /nfs/dbraw/zinc/80/87/45/573808745.db2.gz DTHFEXHXYPSSKO-GZMMTYOYSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)CC(=O)Nc1cccs1 238122982 573808870 /nfs/dbraw/zinc/80/88/70/573808870.db2.gz DTJLQJRRUXWXRF-UHFFFAOYSA-N 0 0 183.276 2.733 10 0 AFAERN CCC(CC)C[C@H](O)c1coc(C)n1 393669127 573808901 /nfs/dbraw/zinc/80/89/01/573808901.db2.gz QSYJRCKRCSOKAL-NSHDSACASA-N 0 0 197.278 2.843 10 0 AFAERN CCC(CC)[C@@]1(O)CCC[C@H]1C 87158826 573808919 /nfs/dbraw/zinc/80/89/19/573808919.db2.gz WWETZTCFHAOPHI-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CCC(CC)C(=O)[C@@H]1C[C@H]1C 87169357 573808924 /nfs/dbraw/zinc/80/89/24/573808924.db2.gz DNALRVODGRDYRT-VXNVDRBHSA-N 0 0 154.253 2.648 10 0 AFAERN FC(F)c1ccnc2[nH]ccc12 238529187 573808935 /nfs/dbraw/zinc/80/89/35/573808935.db2.gz AFKRCAJQCFSBBV-UHFFFAOYSA-N 0 0 168.146 2.501 10 0 AFAERN COC(=O)C/C=C\CC(C)(C)C 258136349 573808938 /nfs/dbraw/zinc/80/89/38/573808938.db2.gz JHGUKHCSRMZVAQ-WAYWQWQTSA-N 0 0 170.252 2.542 10 0 AFAERN COCCCC[C@@H]1CCCCC(=O)C1 131284773 573808954 /nfs/dbraw/zinc/80/89/54/573808954.db2.gz UGTJMSRUJSJFEO-NSHDSACASA-N 0 0 198.306 2.953 10 0 AFAERN Cc1ccc(O)c(Cc2ccco2)c1 238528547 573808963 /nfs/dbraw/zinc/80/89/63/573808963.db2.gz WWBPHDLJCYTOIF-UHFFFAOYSA-N 0 0 188.226 2.884 10 0 AFAERN CC(=O)C[C@@H]1CC[C@@H]2CCC[C@H]21 238121815 573808966 /nfs/dbraw/zinc/80/89/66/573808966.db2.gz OIGJTPLJBJMXML-GARJFASQSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(CC)[C@]1(O)CC[C@@H](C)C1 87158744 573809028 /nfs/dbraw/zinc/80/90/28/573809028.db2.gz ACYQGBCPGDAZFW-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(O)c([C@@H]2CCCC2=O)c1 238529614 573809110 /nfs/dbraw/zinc/80/91/10/573809110.db2.gz LEIJKGOBHYMVBV-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN Fc1cccc(C2CCCC2)n1 238530135 573811198 /nfs/dbraw/zinc/81/11/98/573811198.db2.gz DNHYIWZRAJOHMG-UHFFFAOYSA-N 0 0 165.211 2.878 10 0 AFAERN CCC1=Nc2ccccc2NC(=O)C1 100584617 573811241 /nfs/dbraw/zinc/81/12/41/573811241.db2.gz KVNHEOFXOFIAFA-UHFFFAOYSA-N 0 0 188.230 2.511 10 0 AFAERN CC(C)=C1C[C@H]2C(=O)CCC[C@H]12 238124079 573811284 /nfs/dbraw/zinc/81/12/84/573811284.db2.gz MJVRCXPODNZETR-PSASIEDQSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)(C)P1CCCNC1=S 238123372 573811056 /nfs/dbraw/zinc/81/10/56/573811056.db2.gz SBKVCRBXTJDPIC-UHFFFAOYSA-N 0 0 189.264 2.545 10 0 AFAERN CCCC(CCC)CC(=O)N(C)C 308443880 573811064 /nfs/dbraw/zinc/81/10/64/573811064.db2.gz AJOLMQUMEMSYBL-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN Nc1cscc1-c1ccccc1O 258136934 573811085 /nfs/dbraw/zinc/81/10/85/573811085.db2.gz ODANZYDKUHFABW-UHFFFAOYSA-N 0 0 191.255 2.703 10 0 AFAERN CC(C)=C1CCC[C@H]1CCO 238121555 573811101 /nfs/dbraw/zinc/81/11/01/573811101.db2.gz RFXYZFZPIYOLIK-VIFPVBQESA-N 0 0 154.253 2.505 10 0 AFAERN Nc1ccccc1C[C@@H]1CCCS1 257879309 573811150 /nfs/dbraw/zinc/81/11/50/573811150.db2.gz VCUXWSHXYBMBBU-JTQLQIEISA-N 0 0 193.315 2.707 10 0 AFAERN CC[C@@H](C)C1(CO)CCCCC1 87176074 573811151 /nfs/dbraw/zinc/81/11/51/573811151.db2.gz CXHLZQDUIXTBMO-SNVBAGLBSA-N 0 0 170.296 2.975 10 0 AFAERN CCC(CC)C1(CO)CCCC1 87176094 573811161 /nfs/dbraw/zinc/81/11/61/573811161.db2.gz NLQBNHHTYRBRTC-UHFFFAOYSA-N 0 0 170.296 2.975 10 0 AFAERN O=C(CC[C@@H]1CCOC1)C1CCCC1 127268165 573811335 /nfs/dbraw/zinc/81/13/35/573811335.db2.gz GLFIZCIMDZROEQ-SNVBAGLBSA-N 0 0 196.290 2.562 10 0 AFAERN CCC(CC)C1=C[C@H](O)CC1 87175130 573811355 /nfs/dbraw/zinc/81/13/55/573811355.db2.gz LFAKKDWYUNPVJP-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1ccc2ccccc(=O)c2c1 238529191 573811375 /nfs/dbraw/zinc/81/13/75/573811375.db2.gz FCJKUVFLXQPLFX-UHFFFAOYSA-N 0 0 170.211 2.508 10 0 AFAERN CC(C)CC(=O)C/C=C/Cl 238121387 573811421 /nfs/dbraw/zinc/81/14/21/573811421.db2.gz KYLPLFYKKHKCDU-HWKANZROSA-N 0 0 160.644 2.744 10 0 AFAERN CCCc1cn2cccc(Cl)c2n1 257879098 573811435 /nfs/dbraw/zinc/81/14/35/573811435.db2.gz CDEAOWIFDTWGJJ-UHFFFAOYSA-N 0 0 194.665 2.940 10 0 AFAERN Cc1cnc(N)c(C(F)F)c1Cl 238529941 573811462 /nfs/dbraw/zinc/81/14/62/573811462.db2.gz XZFDFJUXMPEZCO-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCC(CC)[C@H]1CCC(=O)C1 87174494 573811463 /nfs/dbraw/zinc/81/14/63/573811463.db2.gz WUQGLKIYYHSSCQ-VIFPVBQESA-N 0 0 154.253 2.792 10 0 AFAERN Cc1c(N)ncc(Cl)c1C(F)F 238529328 573811535 /nfs/dbraw/zinc/81/15/35/573811535.db2.gz CYDJXVDEVPLJEK-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCCC(=O)CCc1cccc(O)c1 87178640 573811548 /nfs/dbraw/zinc/81/15/48/573811548.db2.gz SMXWAOSGNAQGDL-UHFFFAOYSA-N 0 0 192.258 2.694 10 0 AFAERN Cc1cccc2c1[C@@H]([C@H](C)CO)CC2 257879329 573811605 /nfs/dbraw/zinc/81/16/05/573811605.db2.gz VDFQUCGADXFIFF-ZYHUDNBSSA-N 0 0 190.286 2.653 10 0 AFAERN CCOC(=O)/C=C/C=C(/C)CC1CC1 308444175 573813019 /nfs/dbraw/zinc/81/30/19/573813019.db2.gz FYBHGKLKHIBJEY-JQGVROHRSA-N 0 0 194.274 2.852 10 0 AFAERN Cc1ccc(N)c(CC2CCC2)c1 257881095 573813034 /nfs/dbraw/zinc/81/30/34/573813034.db2.gz LYIWPBVTVJTLLC-UHFFFAOYSA-N 0 0 175.275 2.920 10 0 AFAERN Cc1cnc(Cl)c(C(F)F)c1 238522566 573813663 /nfs/dbraw/zinc/81/36/63/573813663.db2.gz LFUDPXCVDQTVRY-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN O=c1cc(C2CCCCCC2)[nH][nH]1 257879957 573813685 /nfs/dbraw/zinc/81/36/85/573813685.db2.gz LRKGQNOFKCQIII-UHFFFAOYSA-N 0 0 180.251 2.553 10 0 AFAERN OCc1ccc([C@H]2C[C@@H]2C(F)F)cc1 258140020 573812620 /nfs/dbraw/zinc/81/26/20/573812620.db2.gz QYSWNGVCWHBEOT-ZJUUUORDSA-N 0 0 198.212 2.548 10 0 AFAERN Cc1cccc([C@@H](C)CO)c1Cl 258140961 573812664 /nfs/dbraw/zinc/81/26/64/573812664.db2.gz SMUSGCCYOMNNJA-QMMMGPOBSA-N 0 0 184.666 2.744 10 0 AFAERN Cc1coc2c(C(C)(C)O)cccc12 258139335 573812680 /nfs/dbraw/zinc/81/26/80/573812680.db2.gz QGWMJSVNVYOSOT-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN CC(C)=C1C[C@@H]2CCCC(=O)[C@H]12 238128803 573812718 /nfs/dbraw/zinc/81/27/18/573812718.db2.gz DTHFEXHXYPSSKO-KWQFWETISA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)c1onc2ccc(N)cc12 257881182 573812732 /nfs/dbraw/zinc/81/27/32/573812732.db2.gz LZMIVBRALDRPNB-UHFFFAOYSA-N 0 0 176.219 2.533 10 0 AFAERN CCC(CC)[C@@H]1CCC[C@@H](O)C1 87175041 573812737 /nfs/dbraw/zinc/81/27/37/573812737.db2.gz JWOGUWUHWCYFDQ-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C(=O)OCc2cccs2)CC1 393564118 573812798 /nfs/dbraw/zinc/81/27/98/573812798.db2.gz MLHGJTWTMXGZAB-UHFFFAOYSA-N 0 0 196.271 2.591 10 0 AFAERN CCCC[C@@H](CC)C[C@H](O)COC 43456416 573812824 /nfs/dbraw/zinc/81/28/24/573812824.db2.gz JUFQOHSGEMJSBB-MNOVXSKESA-N 0 0 188.311 2.600 10 0 AFAERN CC(=O)C[C@H](C)CCC1CCOCC1 308743809 573812833 /nfs/dbraw/zinc/81/28/33/573812833.db2.gz QEYBMLVWOYHQJT-SNVBAGLBSA-N 0 0 198.306 2.808 10 0 AFAERN OCc1ccc([C@@H]2C[C@@H]2C(F)F)cc1 258140014 573812871 /nfs/dbraw/zinc/81/28/71/573812871.db2.gz QYSWNGVCWHBEOT-UWVGGRQHSA-N 0 0 198.212 2.548 10 0 AFAERN CC(=O)Cc1cc2c(F)cccc2o1 258139468 573813097 /nfs/dbraw/zinc/81/30/97/573813097.db2.gz KTJWVGQZBXTXHV-UHFFFAOYSA-N 0 0 192.189 2.703 10 0 AFAERN CCCC[C@H](CC)C[C@H](O)COC 43456418 573812966 /nfs/dbraw/zinc/81/29/66/573812966.db2.gz JUFQOHSGEMJSBB-QWRGUYRKSA-N 0 0 188.311 2.600 10 0 AFAERN CCC(=O)CCCOc1ccccc1 43458337 573812971 /nfs/dbraw/zinc/81/29/71/573812971.db2.gz MEOMCOMACGZNFW-UHFFFAOYSA-N 0 0 192.258 2.825 10 0 AFAERN CCC(CC)[C@@](C)(CC)CO 87176188 573812975 /nfs/dbraw/zinc/81/29/75/573812975.db2.gz SZHPUFNSIQBSQS-JTQLQIEISA-N 0 0 158.285 2.831 10 0 AFAERN C[C@H](O)/C=C\c1ccc2ncccc2c1 308744340 573812986 /nfs/dbraw/zinc/81/29/86/573812986.db2.gz GYUWEYBATHUMGL-LWTINBJPSA-N 0 0 199.253 2.629 10 0 AFAERN CCC(CC)[C@@H]1CC[C@H](O)[C@@H]1C 87175105 573813085 /nfs/dbraw/zinc/81/30/85/573813085.db2.gz MABMBSSZDPUAMO-IEBDPFPHSA-N 0 0 170.296 2.830 10 0 AFAERN Cc1cc(C=O)c2[nH]c(C)c(C)c2c1 238521898 573813195 /nfs/dbraw/zinc/81/31/95/573813195.db2.gz QEXCAQNKRGOUNQ-UHFFFAOYSA-N 0 0 187.242 2.906 10 0 AFAERN CCC(CC)[C@H]1CC[C@H](O)C1 87175026 573813202 /nfs/dbraw/zinc/81/32/02/573813202.db2.gz JFHOOFONVFELSV-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(=O)C[C@@]1(C)C=CCCC1 238133598 573813251 /nfs/dbraw/zinc/81/32/51/573813251.db2.gz KAGQJEQFNRVEIX-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN Cc1coc(C(=O)CCOC(C)C)c1 716196862 573813308 /nfs/dbraw/zinc/81/33/08/573813308.db2.gz AEUOQXJWLNDNJN-UHFFFAOYSA-N 0 0 196.246 2.586 10 0 AFAERN Cc1cccc2c1N[C@@H]1C=CC[C@@H]21 238530578 573813331 /nfs/dbraw/zinc/81/33/31/573813331.db2.gz CBMMJFNRQDHNKK-GXSJLCMTSA-N 0 0 171.243 2.833 10 0 AFAERN Cc1ccccc1/C=C/C[C@@H](C)O 225002211 573813341 /nfs/dbraw/zinc/81/33/41/573813341.db2.gz QMRHKZFYZCFURY-FZPLPXEFSA-N 0 0 176.259 2.779 10 0 AFAERN Cc1cc2c(C(C)(C)O)cccc2o1 258139510 573813356 /nfs/dbraw/zinc/81/33/56/573813356.db2.gz QJHNZKMLUDYZBU-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN Cc1cc([C@H]2CCCC(=O)C2)ccn1 238521845 573813365 /nfs/dbraw/zinc/81/33/65/573813365.db2.gz YMSGBIDWKOWUSA-JTQLQIEISA-N 0 0 189.258 2.617 10 0 AFAERN COC(=O)C/C=C\c1cccc(C)c1 258140636 573813390 /nfs/dbraw/zinc/81/33/90/573813390.db2.gz JPTLCMFJNHMVON-DAXSKMNVSA-N 0 0 190.242 2.571 10 0 AFAERN CCC(CC)Cc1cccnc1N 87174382 573813412 /nfs/dbraw/zinc/81/34/12/573813412.db2.gz JDTMXVUNOVESTI-UHFFFAOYSA-N 0 0 178.279 2.643 10 0 AFAERN CC[C@@H](O)CCCc1csc(C)n1 84277332 573813425 /nfs/dbraw/zinc/81/34/25/573813425.db2.gz BFYWHEQFVVTHIJ-SNVBAGLBSA-N 0 0 199.319 2.545 10 0 AFAERN C[C@@H](O)c1cc(Cl)c2cc[nH]c2c1 258140856 573813466 /nfs/dbraw/zinc/81/34/66/573813466.db2.gz SKAWJMDWMHTQCM-ZCFIWIBFSA-N 0 0 195.649 2.875 10 0 AFAERN Cc1cccc([C@H](C)CO)c1Cl 258140959 573813552 /nfs/dbraw/zinc/81/35/52/573813552.db2.gz SMUSGCCYOMNNJA-MRVPVSSYSA-N 0 0 184.666 2.744 10 0 AFAERN CC(C)CC1=C[C@H](O)CCC=C1 238132435 573813555 /nfs/dbraw/zinc/81/35/55/573813555.db2.gz DKBNCAFYSBLOHB-LLVKDONJSA-N 0 0 166.264 2.670 10 0 AFAERN CC(=O)[C@@H]1CSc2ccc(C)cc21 258139400 573813582 /nfs/dbraw/zinc/81/35/82/573813582.db2.gz QHWPUKXHGSYECI-JTQLQIEISA-N 0 0 192.283 2.773 10 0 AFAERN Cc1ccccc1CCC1(O)CCC1 258144740 573813614 /nfs/dbraw/zinc/81/36/14/573813614.db2.gz VQUSPYIEZPRBRD-UHFFFAOYSA-N 0 0 190.286 2.843 10 0 AFAERN CCC(CC)C1=C[C@@H](O)CCC1 87175116 573813628 /nfs/dbraw/zinc/81/36/28/573813628.db2.gz TXWQOXSWEXPLKD-NSHDSACASA-N 0 0 168.280 2.894 10 0 AFAERN C[C@@H](O)/C=C\c1ccc2ncccc2c1 308744342 573813635 /nfs/dbraw/zinc/81/36/35/573813635.db2.gz GYUWEYBATHUMGL-UMCURTJPSA-N 0 0 199.253 2.629 10 0 AFAERN CC(C)(C)Cc1cc(F)ccc1N 257879946 573817336 /nfs/dbraw/zinc/81/73/36/573817336.db2.gz LRHFGLAPQNIXFN-UHFFFAOYSA-N 0 0 181.254 2.997 10 0 AFAERN CCOCc1cc2cc(N)ccc2o1 258146102 573817440 /nfs/dbraw/zinc/81/74/40/573817440.db2.gz WKBYFROTRPXPBH-UHFFFAOYSA-N 0 0 191.230 2.552 10 0 AFAERN Cc1cc(F)c(C)nc1C(F)F 238524019 573818454 /nfs/dbraw/zinc/81/84/54/573818454.db2.gz SVWWBVOCMXNEGT-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN O[C@@H](CCCCF)C1CCCC1 127359438 573814596 /nfs/dbraw/zinc/81/45/96/573814596.db2.gz BWTMXFAMHVBPOK-JTQLQIEISA-N 0 0 174.259 2.677 10 0 AFAERN CC(C)SCc1ccc(O)cc1N 258140248 573814606 /nfs/dbraw/zinc/81/46/06/573814606.db2.gz OLXJPUHKPFMJEL-UHFFFAOYSA-N 0 0 197.303 2.616 10 0 AFAERN CC(C)=C=CC=C=C(C)CCO 238131940 573814616 /nfs/dbraw/zinc/81/46/16/573814616.db2.gz NCKJZNJDGGTTHW-UHFFFAOYSA-N 0 0 164.248 2.592 10 0 AFAERN CC(=O)Sc1ccc2[nH]ccc2c1 238133709 573814646 /nfs/dbraw/zinc/81/46/46/573814646.db2.gz AEESETHZPSSATM-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN Cc1cc2c(O)cccc2c(C)n1 225003338 573814702 /nfs/dbraw/zinc/81/47/02/573814702.db2.gz DNNRDSLLZFDVAB-UHFFFAOYSA-N 0 0 173.215 2.557 10 0 AFAERN Cc1cccc(OCc2ncco2)c1 257881416 573814773 /nfs/dbraw/zinc/81/47/73/573814773.db2.gz KHGZOSMDWHAMOM-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN CC(C)(C)C(=O)[C@@]1(C)C=CCC1 238133099 573814820 /nfs/dbraw/zinc/81/48/20/573814820.db2.gz CLZLVSYFJAXPAU-NSHDSACASA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)(C)C(=O)Cc1cccc(O)c1 87180341 573814849 /nfs/dbraw/zinc/81/48/49/573814849.db2.gz NMKXGHGHXPRQIL-UHFFFAOYSA-N 0 0 192.258 2.550 10 0 AFAERN C[C@H](O)C/C=C/c1cccs1 225003587 573814871 /nfs/dbraw/zinc/81/48/71/573814871.db2.gz WHVMBCYJSIPUIU-NCJLJLRUSA-N 0 0 168.261 2.532 10 0 AFAERN CC(C)=C1C[C@H]2C(=O)CCC[C@@H]12 238124143 573814916 /nfs/dbraw/zinc/81/49/16/573814916.db2.gz MJVRCXPODNZETR-WCBMZHEXSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)CC1=C[C@@H](O)CCC=C1 238132289 573814924 /nfs/dbraw/zinc/81/49/24/573814924.db2.gz DKBNCAFYSBLOHB-NSHDSACASA-N 0 0 166.264 2.670 10 0 AFAERN CCC(CC)C1(CO)CCC1 87176064 573815009 /nfs/dbraw/zinc/81/50/09/573815009.db2.gz CRDBQRPWUYSDKM-UHFFFAOYSA-N 0 0 156.269 2.585 10 0 AFAERN Cc1sc([C@H](C)O)nc1CC(C)C 259198587 573815010 /nfs/dbraw/zinc/81/50/10/573815010.db2.gz KQODLLWVDXWQDL-ZETCQYMHSA-N 0 0 199.319 2.703 10 0 AFAERN Cc1cc(F)c(C(F)(F)F)cc1O 238522390 573815043 /nfs/dbraw/zinc/81/50/43/573815043.db2.gz WPSOUVFZZRMTQY-UHFFFAOYSA-N 0 0 194.127 2.859 10 0 AFAERN Cc1ccc(C)c(SC2([NH3+])CC2)c1 259198362 573815052 /nfs/dbraw/zinc/81/50/52/573815052.db2.gz KGUBEFMOKYMJJQ-UHFFFAOYSA-N 0 0 193.315 2.844 10 0 AFAERN OCc1ccc([C@H]2C[C@H]2C(F)F)cc1 258140012 573815073 /nfs/dbraw/zinc/81/50/73/573815073.db2.gz QYSWNGVCWHBEOT-NXEZZACHSA-N 0 0 198.212 2.548 10 0 AFAERN CCC(CC)[C@@H]1CC[C@@H](O)[C@@H]1C 87175109 573815124 /nfs/dbraw/zinc/81/51/24/573815124.db2.gz MABMBSSZDPUAMO-FBIMIBRVSA-N 0 0 170.296 2.830 10 0 AFAERN O=C(CC(F)F)c1ccc(F)cc1 238522034 573815159 /nfs/dbraw/zinc/81/51/59/573815159.db2.gz OSSNTTFUXXXCNV-UHFFFAOYSA-N 0 0 188.148 2.664 10 0 AFAERN CC(=O)c1onc2cc(Cl)ccc12 257880457 573815175 /nfs/dbraw/zinc/81/51/75/573815175.db2.gz VKIRSHBZUBXWMP-UHFFFAOYSA-N 0 0 195.605 2.684 10 0 AFAERN CC(C)(Cl)[C@H](O)c1ccccc1 238134214 573815208 /nfs/dbraw/zinc/81/52/08/573815208.db2.gz GQQGHXPSJCVGEF-SECBINFHSA-N 0 0 184.666 2.737 10 0 AFAERN Cc1cc(Cc2ccco2)ccc1O 238530397 573815279 /nfs/dbraw/zinc/81/52/79/573815279.db2.gz NLUJFZQCOBVYMO-UHFFFAOYSA-N 0 0 188.226 2.884 10 0 AFAERN CSCc1nc(C)cn1C(C)C 257879869 573815301 /nfs/dbraw/zinc/81/53/01/573815301.db2.gz JXLIGHYACVEKGA-UHFFFAOYSA-N 0 0 184.308 2.635 10 0 AFAERN Cc1noc(NC(C)(C)C)c1C 238530517 573815333 /nfs/dbraw/zinc/81/53/33/573815333.db2.gz DXWLUANQXRXSPS-UHFFFAOYSA-N 0 0 168.240 2.502 10 0 AFAERN Cc1cc(F)c(C(F)F)c(F)n1 238522837 573815364 /nfs/dbraw/zinc/81/53/64/573815364.db2.gz VTQWQCOFFVDLSQ-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN FC(F)C1=Cc2ccccc2NC1 238521705 573815371 /nfs/dbraw/zinc/81/53/71/573815371.db2.gz FOXRPXGORMBUQA-UHFFFAOYSA-N 0 0 181.185 2.761 10 0 AFAERN CCC(=O)CCc1cc(F)ccc1F 43458962 573815498 /nfs/dbraw/zinc/81/54/98/573815498.db2.gz OFIYKYYEXQHUFD-UHFFFAOYSA-N 0 0 198.212 2.877 10 0 AFAERN CC(C)c1oc(=O)[nH]c1C(F)(F)F 257880159 573815506 /nfs/dbraw/zinc/81/55/06/573815506.db2.gz VGWGRGRTABVPFT-UHFFFAOYSA-N 0 0 195.140 2.522 10 0 AFAERN CC(C)(CO)[C@H]1CCc2ccccc21 238124559 573815526 /nfs/dbraw/zinc/81/55/26/573815526.db2.gz GEHIKUZBMHUKJB-LBPRGKRZSA-N 0 0 190.286 2.735 10 0 AFAERN Clc1cnc([C@@H]2CCSC2)o1 258434922 573815594 /nfs/dbraw/zinc/81/55/94/573815594.db2.gz DTGFQNVPSLQWFY-RXMQYKEDSA-N 0 0 189.667 2.549 10 0 AFAERN C[C@H](O)c1cc(Cl)c2cc[nH]c2c1 258140854 573815604 /nfs/dbraw/zinc/81/56/04/573815604.db2.gz SKAWJMDWMHTQCM-LURJTMIESA-N 0 0 195.649 2.875 10 0 AFAERN CC(C)(C)C(=O)[C@]1(C)C=CCC1 238131836 573815614 /nfs/dbraw/zinc/81/56/14/573815614.db2.gz CLZLVSYFJAXPAU-LLVKDONJSA-N 0 0 166.264 2.958 10 0 AFAERN Cc1ccccc1/C=C/C[C@H](C)O 225002272 573815686 /nfs/dbraw/zinc/81/56/86/573815686.db2.gz QMRHKZFYZCFURY-NKLKJHRZSA-N 0 0 176.259 2.779 10 0 AFAERN CC/C=C(/c1ccccc1)[C@@H](C)O 393564181 573815704 /nfs/dbraw/zinc/81/57/04/573815704.db2.gz NGURQLWGHVOTII-CEXMDJMXSA-N 0 0 176.259 2.861 10 0 AFAERN Cc1sc([C@@H](C)O)nc1CC(C)C 259198583 573815902 /nfs/dbraw/zinc/81/59/02/573815902.db2.gz KQODLLWVDXWQDL-SSDOTTSWSA-N 0 0 199.319 2.703 10 0 AFAERN CC/C=C(/c1ccccc1)[C@H](C)O 393564182 573815968 /nfs/dbraw/zinc/81/59/68/573815968.db2.gz NGURQLWGHVOTII-QVIVLVACSA-N 0 0 176.259 2.861 10 0 AFAERN CC(C)[C@](C)(O)C[C@H]1CC1(C)C 642820768 573818807 /nfs/dbraw/zinc/81/88/07/573818807.db2.gz ZMWQZPIOJUJLHC-MWLCHTKSSA-N 0 0 170.296 2.830 10 0 AFAERN O=C(CC(F)F)c1cccc(F)c1 238522059 573816127 /nfs/dbraw/zinc/81/61/27/573816127.db2.gz PFVHVNYZUUGAEG-UHFFFAOYSA-N 0 0 188.148 2.664 10 0 AFAERN CC(C)Oc1ccc(SCO)cc1 259198309 573816200 /nfs/dbraw/zinc/81/62/00/573816200.db2.gz KGKQIRDXFLJKLY-UHFFFAOYSA-N 0 0 198.287 2.516 10 0 AFAERN FC(F)CCNc1ccccc1 238522365 573816217 /nfs/dbraw/zinc/81/62/17/573816217.db2.gz LKUMGNXZUUAHMJ-UHFFFAOYSA-N 0 0 171.190 2.754 10 0 AFAERN C[C@@H](O)C/C=C/c1cccs1 225003658 573816266 /nfs/dbraw/zinc/81/62/66/573816266.db2.gz WHVMBCYJSIPUIU-IBDUZEINSA-N 0 0 168.261 2.532 10 0 AFAERN O[C@H](CCCCF)C1CCCC1 127359223 573816262 /nfs/dbraw/zinc/81/62/62/573816262.db2.gz BWTMXFAMHVBPOK-SNVBAGLBSA-N 0 0 174.259 2.677 10 0 AFAERN Cc1cccc2c1N[C@H]1C=CC[C@@H]21 238530556 573816337 /nfs/dbraw/zinc/81/63/37/573816337.db2.gz CBMMJFNRQDHNKK-ONGXEEELSA-N 0 0 171.243 2.833 10 0 AFAERN CCN(C(=O)C(F)=C(C)C)C(C)C 308444050 573816373 /nfs/dbraw/zinc/81/63/73/573816373.db2.gz AMTTZTMYASJYLY-UHFFFAOYSA-N 0 0 187.258 2.507 10 0 AFAERN COc1ccccc1-c1ccoc1N 258140904 573816407 /nfs/dbraw/zinc/81/64/07/573816407.db2.gz OPUAERDIOLWKBM-UHFFFAOYSA-N 0 0 189.214 2.537 10 0 AFAERN Cc1ccc2c(N)cc(N)c(C)c2c1 238522147 573816450 /nfs/dbraw/zinc/81/64/50/573816450.db2.gz BMNWHJSHCUFUDK-UHFFFAOYSA-N 0 0 186.258 2.621 10 0 AFAERN CCCCc1cc(F)ccc1O 100684670 573816513 /nfs/dbraw/zinc/81/65/13/573816513.db2.gz DYEJCQLVQKUCGA-UHFFFAOYSA-N 0 0 168.211 2.874 10 0 AFAERN Cc1ccc2c(N)c(C)cc(C)c2n1 238521915 573816519 /nfs/dbraw/zinc/81/65/19/573816519.db2.gz WFUBRTSHQMOHRZ-UHFFFAOYSA-N 0 0 186.258 2.742 10 0 AFAERN CC(C)=C1C[C@@H]2C(=O)CCC[C@H]12 238124601 573816530 /nfs/dbraw/zinc/81/65/30/573816530.db2.gz MJVRCXPODNZETR-SCZZXKLOSA-N 0 0 164.248 2.712 10 0 AFAERN C[C@@H](O)C/C=C/c1ccc(F)cc1 225000727 573816542 /nfs/dbraw/zinc/81/65/42/573816542.db2.gz MLDNDDBIASXDOS-HDMKULJXSA-N 0 0 180.222 2.610 10 0 AFAERN C[C@H](O)C/C=C/c1ccsc1 225003964 573816548 /nfs/dbraw/zinc/81/65/48/573816548.db2.gz SBCCEBOGMKZBGA-KHVHVRLGSA-N 0 0 168.261 2.532 10 0 AFAERN CN(C)c1ccc2ccc(O)cc2c1 100720826 573816624 /nfs/dbraw/zinc/81/66/24/573816624.db2.gz JZHWFJXAAKJAHZ-UHFFFAOYSA-N 0 0 187.242 2.611 10 0 AFAERN CC(C)=C=CCC(C)(C)CO 238132025 573816807 /nfs/dbraw/zinc/81/68/07/573816807.db2.gz QKYLVCXSTMSJPH-UHFFFAOYSA-N 0 0 154.253 2.516 10 0 AFAERN Cc1cc([C@H]2CCCCC2=O)ccn1 238522245 573816819 /nfs/dbraw/zinc/81/68/19/573816819.db2.gz KLUPNWRYGSCSQK-LLVKDONJSA-N 0 0 189.258 2.617 10 0 AFAERN Cc1ccc2c(N)c(C)cc(N)c2c1 238521947 573816824 /nfs/dbraw/zinc/81/68/24/573816824.db2.gz ZFSPODHEPDQDDF-UHFFFAOYSA-N 0 0 186.258 2.621 10 0 AFAERN CC(C)c1c(N)cnc2ccccc12 257879972 573816934 /nfs/dbraw/zinc/81/69/34/573816934.db2.gz LSKFKZLEKIUBHI-UHFFFAOYSA-N 0 0 186.258 2.940 10 0 AFAERN Cc1cc(F)c(C(F)F)c(C)n1 238522595 573817000 /nfs/dbraw/zinc/81/70/00/573817000.db2.gz WNPHGZDXQOXBIA-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN CC[C@@H](O)c1cc(F)c(C)cc1F 87189191 573817014 /nfs/dbraw/zinc/81/70/14/573817014.db2.gz WCTILQSOEIVKAD-SNVBAGLBSA-N 0 0 186.201 2.717 10 0 AFAERN O=C1CCC[C@H]1c1cccnc1Cl 238524315 573820141 /nfs/dbraw/zinc/82/01/41/573820141.db2.gz IOQBVANAMGOEQJ-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN CC(C)(Cl)NC(C)(C)Cl 238132637 573817082 /nfs/dbraw/zinc/81/70/82/573817082.db2.gz DVBPHQINXDXVHL-UHFFFAOYSA-N 0 0 170.083 2.526 10 0 AFAERN CC(C)(C)N1N=CC(=O)C1C1CCC1 257881475 573817162 /nfs/dbraw/zinc/81/71/62/573817162.db2.gz VLDDNHZNQIKNHS-UHFFFAOYSA-N 0 0 194.278 2.611 10 0 AFAERN C=Cc1ccccc1C(=O)C1CC1 238132029 573817189 /nfs/dbraw/zinc/81/71/89/573817189.db2.gz ONBHQJQAFOOIIH-UHFFFAOYSA-N 0 0 172.227 2.922 10 0 AFAERN Cc1cc(F)c(C(=O)C2CC2)cc1F 87188759 573817191 /nfs/dbraw/zinc/81/71/91/573817191.db2.gz NIONSISMLUAWNX-UHFFFAOYSA-N 0 0 196.196 2.866 10 0 AFAERN CC(=O)Sc1cc2ccccc2[nH]1 238133627 573817245 /nfs/dbraw/zinc/81/72/45/573817245.db2.gz VIISRROJIZDPEW-UHFFFAOYSA-N 0 0 191.255 2.807 10 0 AFAERN C=Cc1ccc(OC2CC2)cc1 238134435 573817293 /nfs/dbraw/zinc/81/72/93/573817293.db2.gz JXFVDCAUQXGOQB-UHFFFAOYSA-N 0 0 160.216 2.871 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@@H](O)CCC2 87189662 573817295 /nfs/dbraw/zinc/81/72/95/573817295.db2.gz IEFRXERERVYZFK-VIFPVBQESA-N 0 0 198.212 2.643 10 0 AFAERN Clc1cnc([C@H]2CCSC2)o1 258434925 573817312 /nfs/dbraw/zinc/81/73/12/573817312.db2.gz DTGFQNVPSLQWFY-YFKPBYRVSA-N 0 0 189.667 2.549 10 0 AFAERN C[C@H](O)C/C=C/c1ccc(F)cc1 225000644 573817313 /nfs/dbraw/zinc/81/73/13/573817313.db2.gz MLDNDDBIASXDOS-LXOKAJLYSA-N 0 0 180.222 2.610 10 0 AFAERN C[Si](C)(C)C1([C@@H](O)C=C2CC2)CC1 238521679 573817327 /nfs/dbraw/zinc/81/73/27/573817327.db2.gz YCQHJPJOCZNRFY-JTQLQIEISA-N 0 0 196.366 2.940 10 0 AFAERN CSc1ccc(C(C)(C)O)c(C)c1 258148063 573817394 /nfs/dbraw/zinc/81/73/94/573817394.db2.gz TXWYIRADPASOER-UHFFFAOYSA-N 0 0 196.315 2.944 10 0 AFAERN Cc1cc([C@H]2CCCC2=O)ccc1O 238522067 573817421 /nfs/dbraw/zinc/81/74/21/573817421.db2.gz BYFGWKDFADXOQW-SNVBAGLBSA-N 0 0 190.242 2.537 10 0 AFAERN C[Si](C)(C)C1([C@H](O)C=C2CC2)CC1 238521713 573817426 /nfs/dbraw/zinc/81/74/26/573817426.db2.gz YCQHJPJOCZNRFY-SNVBAGLBSA-N 0 0 196.366 2.940 10 0 AFAERN C=Cc1cc(C)cc2c1NCCC2=O 238521589 573817469 /nfs/dbraw/zinc/81/74/69/573817469.db2.gz LIBLUJGAHYWWHV-UHFFFAOYSA-N 0 0 187.242 2.636 10 0 AFAERN C[C@@H](O)C/C=C/c1ccsc1 225004025 573817523 /nfs/dbraw/zinc/81/75/23/573817523.db2.gz SBCCEBOGMKZBGA-BYDTYLDUSA-N 0 0 168.261 2.532 10 0 AFAERN CCSCc1ccc2c(c1)CCN2 258146069 573817538 /nfs/dbraw/zinc/81/75/38/573817538.db2.gz MZKJOLNGBJWIJP-UHFFFAOYSA-N 0 0 193.315 2.908 10 0 AFAERN COCNc1cccc2ccccc12 259201447 573817539 /nfs/dbraw/zinc/81/75/39/573817539.db2.gz WOIRBVTYUYFBKG-UHFFFAOYSA-N 0 0 187.242 2.856 10 0 AFAERN Cc1ccc(O)c([C@H]2CCCC2=O)c1 238530409 573817624 /nfs/dbraw/zinc/81/76/24/573817624.db2.gz LEIJKGOBHYMVBV-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN CC(C)(C)C1(F)CCC(=O)CC1 238136434 573817690 /nfs/dbraw/zinc/81/76/90/573817690.db2.gz SPVGLKTVZRZVFQ-UHFFFAOYSA-N 0 0 172.243 2.884 10 0 AFAERN CON(CCCCF)CC(C)(C)C 308446980 573817742 /nfs/dbraw/zinc/81/77/42/573817742.db2.gz BSDUHBMKEPXLRV-UHFFFAOYSA-N 0 0 191.290 2.646 10 0 AFAERN C[C@H](F)Cc1ccccc1C[C@@H](C)O 258147745 573817832 /nfs/dbraw/zinc/81/78/32/573817832.db2.gz SZWASAVEJWALQZ-VHSXEESVSA-N 0 0 196.265 2.510 10 0 AFAERN CCn1cc(C(=O)CCC(C)C)cn1 43468248 573817863 /nfs/dbraw/zinc/81/78/63/573817863.db2.gz LNVDBWHXUZRWJB-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN C=Cc1cccc(-n2cccn2)c1 238137982 573817956 /nfs/dbraw/zinc/81/79/56/573817956.db2.gz XQEBQFDILDHTOW-UHFFFAOYSA-N 0 0 170.215 2.515 10 0 AFAERN Cc1cc(F)c2c(c1F)C(=O)CCC2 87189598 573817957 /nfs/dbraw/zinc/81/79/57/573817957.db2.gz KWBUTTAYQUCCKD-UHFFFAOYSA-N 0 0 196.196 2.792 10 0 AFAERN C=Cc1cccc2c1CCCN2 238138494 573818041 /nfs/dbraw/zinc/81/80/41/573818041.db2.gz HXNRUKYTTWVNKJ-UHFFFAOYSA-N 0 0 159.232 2.688 10 0 AFAERN Cc1cc2ccc(CCCO)cc2o1 258147890 573818045 /nfs/dbraw/zinc/81/80/45/573818045.db2.gz TWBKILIPHRKKDW-UHFFFAOYSA-N 0 0 190.242 2.666 10 0 AFAERN Cc1cc(F)c([C@@H](O)C2CC2)cc1F 87189229 573818047 /nfs/dbraw/zinc/81/80/47/573818047.db2.gz HMRXAYMMSFVKDV-NSHDSACASA-N 0 0 198.212 2.717 10 0 AFAERN Oc1cccc2c(C3CCC3)noc12 257883565 573818077 /nfs/dbraw/zinc/81/80/77/573818077.db2.gz VYFDEABMRBPGFR-UHFFFAOYSA-N 0 0 189.214 2.801 10 0 AFAERN CC(C)=CC(C)(C)[C@@H]1C=C[C@@H](O)C1 238138420 573818249 /nfs/dbraw/zinc/81/82/49/573818249.db2.gz CSFBBHCXRVJEIJ-GHMZBOCLSA-N 0 0 180.291 2.916 10 0 AFAERN CC[C@H](CC1(COC)CCC1)C(C)=O 393669183 573818532 /nfs/dbraw/zinc/81/85/32/573818532.db2.gz QWHCZKRRAVODAJ-LLVKDONJSA-N 0 0 198.306 2.808 10 0 AFAERN CC[C@@H](CC1(COC)CCC1)C(C)=O 393669186 573818551 /nfs/dbraw/zinc/81/85/51/573818551.db2.gz QWHCZKRRAVODAJ-NSHDSACASA-N 0 0 198.306 2.808 10 0 AFAERN Cc1cnc(Cl)c(N)c1C(F)F 238523651 573818625 /nfs/dbraw/zinc/81/86/25/573818625.db2.gz XUPWXZNNNNFTCL-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1cc(F)c(C)c(C(F)F)n1 238523914 573818659 /nfs/dbraw/zinc/81/86/59/573818659.db2.gz SZUYKQWXTRDNIW-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN CSc1cc(C)c(C)c(CNO)c1 258147897 573818716 /nfs/dbraw/zinc/81/87/16/573818716.db2.gz TWFWIVJKBLUDPY-UHFFFAOYSA-N 0 0 197.303 2.504 10 0 AFAERN C=Cc1cccc2c1NCCC2 238138155 573818746 /nfs/dbraw/zinc/81/87/46/573818746.db2.gz WXWBBUVJYAWKDP-UHFFFAOYSA-N 0 0 159.232 2.688 10 0 AFAERN Cc1nc2c([C@@H](C)O)cccc2s1 258148092 573819646 /nfs/dbraw/zinc/81/96/46/573819646.db2.gz TYGQCPQMLKOMQK-ZCFIWIBFSA-N 0 0 193.271 2.658 10 0 AFAERN C[C@@H](O)Cc1ccccc1C[C@@H](C)F 258147738 573819702 /nfs/dbraw/zinc/81/97/02/573819702.db2.gz SZWASAVEJWALQZ-NXEZZACHSA-N 0 0 196.265 2.510 10 0 AFAERN CC(C)=CC(C)(C)[C@@H]1CC=C[C@@H]1O 238138186 573820581 /nfs/dbraw/zinc/82/05/81/573820581.db2.gz PTTOAAJFKXRLPO-MNOVXSKESA-N 0 0 180.291 2.916 10 0 AFAERN CCC(=O)c1cc(F)c(C)cc1F 87188778 573819742 /nfs/dbraw/zinc/81/97/42/573819742.db2.gz KTYXMURNNZHRTK-UHFFFAOYSA-N 0 0 184.185 2.866 10 0 AFAERN CC(C)(C)C1=CCCCC[C@@H]1O 238137432 573820584 /nfs/dbraw/zinc/82/05/84/573820584.db2.gz CUGSTNHWWHGARN-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C)CCC(C)(C)[C@@H](O)C1 84310480 573819875 /nfs/dbraw/zinc/81/98/75/573819875.db2.gz BBLXHDDQHXJMSU-QMMMGPOBSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cc2occc(C)c-2c1N 238523843 573820004 /nfs/dbraw/zinc/82/00/04/573820004.db2.gz GYXSUQIEJCSHRG-UHFFFAOYSA-N 0 0 161.204 2.583 10 0 AFAERN C[C@H](F)c1ccc(CC2(O)CC2)cc1 258147914 573820019 /nfs/dbraw/zinc/82/00/19/573820019.db2.gz TWHVICMSALTRFD-VIFPVBQESA-N 0 0 194.249 2.785 10 0 AFAERN CC[C@@H]1CCc2[nH]c(=S)[nH]c2C1 87200497 573824253 /nfs/dbraw/zinc/82/42/53/573824253.db2.gz HGHCKEOHYGTBOO-ZCFIWIBFSA-N 0 0 182.292 2.587 10 0 AFAERN C=Cc1cccc2c1CCCO2 238138547 573820097 /nfs/dbraw/zinc/82/00/97/573820097.db2.gz QPHZELSFEADWOP-UHFFFAOYSA-N 0 0 160.216 2.655 10 0 AFAERN Cc1nc(CF)ccc1C(F)F 238524072 573820134 /nfs/dbraw/zinc/82/01/34/573820134.db2.gz QSMHAPFUHAATRV-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CC(C)CC[C@@H](O)c1ncccc1F 131201116 573820241 /nfs/dbraw/zinc/82/02/41/573820241.db2.gz KVGSFNSPBLBUSJ-SNVBAGLBSA-N 0 0 197.253 2.690 10 0 AFAERN C=Cc1cccc2c1OCCC2 238138194 573820341 /nfs/dbraw/zinc/82/03/41/573820341.db2.gz UXSILBQXSQQKJU-UHFFFAOYSA-N 0 0 160.216 2.655 10 0 AFAERN Cc1cc(C)c(Cl)c(C[C@@H](C)O)c1 258148616 573820347 /nfs/dbraw/zinc/82/03/47/573820347.db2.gz OOVLZNUEZYIAGM-SECBINFHSA-N 0 0 198.693 2.880 10 0 AFAERN CC(C)=CC(C)(C)[C@H]1CC=C[C@H]1O 238138362 573820430 /nfs/dbraw/zinc/82/04/30/573820430.db2.gz PTTOAAJFKXRLPO-WDEREUQCSA-N 0 0 180.291 2.916 10 0 AFAERN CC[C@H](C)[C@@H](CO)Nc1ccccc1 41050489 573820499 /nfs/dbraw/zinc/82/04/99/573820499.db2.gz GAWJUIQOJZQHRA-CMPLNLGQSA-N 0 0 193.290 2.506 10 0 AFAERN CC(C)[C@@](C)(O)C[C@@H]1CC1(C)C 642820769 573820522 /nfs/dbraw/zinc/82/05/22/573820522.db2.gz ZMWQZPIOJUJLHC-ONGXEEELSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H]1CCCCCCC1=O 79382860 573820540 /nfs/dbraw/zinc/82/05/40/573820540.db2.gz HNFOYUZUPUVFDP-VIFPVBQESA-N 0 0 154.253 2.936 10 0 AFAERN CC[C@H](O)c1cc(F)c(C)cc1F 87189190 573820564 /nfs/dbraw/zinc/82/05/64/573820564.db2.gz WCTILQSOEIVKAD-JTQLQIEISA-N 0 0 186.201 2.717 10 0 AFAERN OC1CC(c2ccc(Cl)s2)C1 87200258 573822317 /nfs/dbraw/zinc/82/23/17/573822317.db2.gz RSBGPTBUYLKUPY-UHFFFAOYSA-N 0 0 188.679 2.640 10 0 AFAERN Cc1cnc(Cl)c(C(F)F)c1N 238523025 573821738 /nfs/dbraw/zinc/82/17/38/573821738.db2.gz PAGHJLFNBKDXDT-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C/C=C\[C@@H](c1ccccc1)[C@H](C)CO 308447510 573821506 /nfs/dbraw/zinc/82/15/06/573821506.db2.gz OFTXXJBLTMOLNB-JKEYLAGBSA-N 0 0 190.286 2.975 10 0 AFAERN OCc1c(Cl)ccc2occc12 258148007 573821514 /nfs/dbraw/zinc/82/15/14/573821514.db2.gz TXBOBCHSZVWAGM-UHFFFAOYSA-N 0 0 182.606 2.579 10 0 AFAERN CC(C)=CC(C)(C)[C@@H]1C=C[C@H](O)C1 238138387 573821549 /nfs/dbraw/zinc/82/15/49/573821549.db2.gz CSFBBHCXRVJEIJ-MNOVXSKESA-N 0 0 180.291 2.916 10 0 AFAERN CCOc1ccccc1C1CC(=O)C1 87199222 573821604 /nfs/dbraw/zinc/82/16/04/573821604.db2.gz FUJMXVHSLVQJKE-UHFFFAOYSA-N 0 0 190.242 2.532 10 0 AFAERN COc1ccc(CCC(C)C)c(N)c1 257885379 573821658 /nfs/dbraw/zinc/82/16/58/573821658.db2.gz WEOZVVPONXIBHI-UHFFFAOYSA-N 0 0 193.290 2.866 10 0 AFAERN Cc1ccc(C2CC(O)C2)cc1C 87200313 573821767 /nfs/dbraw/zinc/82/17/67/573821767.db2.gz AOKMDVFJJHUTQU-UHFFFAOYSA-N 0 0 176.259 2.542 10 0 AFAERN C[C@H](O)Cc1ccccc1C[C@H](C)F 258147741 573821770 /nfs/dbraw/zinc/82/17/70/573821770.db2.gz SZWASAVEJWALQZ-UWVGGRQHSA-N 0 0 196.265 2.510 10 0 AFAERN Oc1cc(-c2cocn2)ccc1Cl 258146972 573821782 /nfs/dbraw/zinc/82/17/82/573821782.db2.gz ROVNRFQHMPQXNU-UHFFFAOYSA-N 0 0 195.605 2.701 10 0 AFAERN C[C@H]1NC(=O)Nc2ccc(Cl)cc21 257883381 573821822 /nfs/dbraw/zinc/82/18/22/573821822.db2.gz VTWOFGDNYXCXQQ-RXMQYKEDSA-N 0 0 196.637 2.536 10 0 AFAERN Cc1ccc(C2CC(=O)C2)c(C)c1 87199185 573821856 /nfs/dbraw/zinc/82/18/56/573821856.db2.gz YHAUEARUSPTJAL-UHFFFAOYSA-N 0 0 174.243 2.750 10 0 AFAERN CCCn1cccc1/C=C(\C)[C@@H](C)O 308447172 573821928 /nfs/dbraw/zinc/82/19/28/573821928.db2.gz PYCANOUQERVQTD-PBQZMEPESA-N 0 0 193.290 2.682 10 0 AFAERN CCn1nc(Cl)c2c(F)cccc21 257883472 573821950 /nfs/dbraw/zinc/82/19/50/573821950.db2.gz SINPVGONSMLLFI-UHFFFAOYSA-N 0 0 198.628 2.849 10 0 AFAERN O[C@@H](CCC(F)F)C1CCCC1 127374764 573821968 /nfs/dbraw/zinc/82/19/68/573821968.db2.gz VWLYAYBDNNQSRQ-QMMMGPOBSA-N 0 0 178.222 2.583 10 0 AFAERN CCc1ccc(C2CC(=O)C2)cc1 87199244 573822043 /nfs/dbraw/zinc/82/20/43/573822043.db2.gz WOFJTPQSBIJELW-UHFFFAOYSA-N 0 0 174.243 2.696 10 0 AFAERN Cc1cc(C)c(C2CC(O)C2)c(C)c1 87200322 573822115 /nfs/dbraw/zinc/82/21/15/573822115.db2.gz BXHSFLNGBCAJDJ-UHFFFAOYSA-N 0 0 190.286 2.850 10 0 AFAERN C=Cc1cc(C)oc1C 87198210 573822130 /nfs/dbraw/zinc/82/21/30/573822130.db2.gz QACMSVVBZBRUDZ-UHFFFAOYSA-N 0 0 122.167 2.539 10 0 AFAERN C[C@@H]1NC(=O)Nc2ccc(Cl)cc21 257883383 573822170 /nfs/dbraw/zinc/82/21/70/573822170.db2.gz VTWOFGDNYXCXQQ-YFKPBYRVSA-N 0 0 196.637 2.536 10 0 AFAERN C=Cc1cnc2ccsc2c1 87198275 573822172 /nfs/dbraw/zinc/82/21/72/573822172.db2.gz CLABJEYELGCEBU-UHFFFAOYSA-N 0 0 161.229 2.939 10 0 AFAERN CC1(C)CCc2[nH]c(=S)[nH]c2C1 87200509 573822181 /nfs/dbraw/zinc/82/21/81/573822181.db2.gz FJOZWJQTZHBZKJ-UHFFFAOYSA-N 0 0 182.292 2.587 10 0 AFAERN CCC[C@@H]1CCc2[nH]c(=S)[nH]c2C1 87200442 573822187 /nfs/dbraw/zinc/82/21/87/573822187.db2.gz UQTJPYFOADGQMO-SSDOTTSWSA-N 0 0 196.319 2.977 10 0 AFAERN Oc1ccc([C@@H]2CCCS2)cc1 257883349 573822214 /nfs/dbraw/zinc/82/22/14/573822214.db2.gz MKSQVIZBVCRQIJ-JTQLQIEISA-N 0 0 180.272 2.960 10 0 AFAERN C/C=C\[C@@H](c1ccccc1)[C@@H](C)CO 308447512 573822245 /nfs/dbraw/zinc/82/22/45/573822245.db2.gz OFTXXJBLTMOLNB-NQUYYZCGSA-N 0 0 190.286 2.975 10 0 AFAERN Cc1cc(F)c(C(F)F)nc1C 238523057 573822286 /nfs/dbraw/zinc/82/22/86/573822286.db2.gz SYYITXXHKMYSBB-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN O=C1CC(c2ccc(Cl)s2)C1 87199195 573822273 /nfs/dbraw/zinc/82/22/73/573822273.db2.gz FCRGCAWKBCYZER-UHFFFAOYSA-N 0 0 186.663 2.848 10 0 AFAERN Cc1cccc(C2CC(O)C2)c1C 87200195 573824182 /nfs/dbraw/zinc/82/41/82/573824182.db2.gz CIOWPXGYYQGCAD-UHFFFAOYSA-N 0 0 176.259 2.542 10 0 AFAERN CCCCCOC(=O)C1(CC)CC1 308445958 573824316 /nfs/dbraw/zinc/82/43/16/573824316.db2.gz BCMFJBLHBYRKDY-UHFFFAOYSA-N 0 0 184.279 2.910 10 0 AFAERN CC(C)Sc1cnn(C(C)C)c1N 87196244 573824207 /nfs/dbraw/zinc/82/42/07/573824207.db2.gz ZCMPSUYWYUHPIA-UHFFFAOYSA-N 0 0 199.323 2.547 10 0 AFAERN Cc1ccc2cc(Cl)cnc2n1 238526096 573823934 /nfs/dbraw/zinc/82/39/34/573823934.db2.gz AHWUWYVBXNMKBY-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN Cc1cnc(Cl)c2occc12 238524691 573823988 /nfs/dbraw/zinc/82/39/88/573823988.db2.gz VGKUGXGAFQBKRK-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN O=C1CC(c2cc3ccccc3o2)C1 87199310 573823999 /nfs/dbraw/zinc/82/39/99/573823999.db2.gz PUMUQKQCWKMLAI-UHFFFAOYSA-N 0 0 186.210 2.879 10 0 AFAERN Cc1cc(F)ccc1C1CC(=O)C1 87199354 573824006 /nfs/dbraw/zinc/82/40/06/573824006.db2.gz NSFONMLBADDUCC-UHFFFAOYSA-N 0 0 178.206 2.581 10 0 AFAERN CCCC(O)(CCC)C1=COCC1 393592622 573824020 /nfs/dbraw/zinc/82/40/20/573824020.db2.gz XFUVBKZLNYQIKA-UHFFFAOYSA-N 0 0 184.279 2.622 10 0 AFAERN Cc1c(N)cnc(C(F)F)c1Cl 238525898 573824044 /nfs/dbraw/zinc/82/40/44/573824044.db2.gz NRTHZBIWFQOURG-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1cc(F)c(F)nc1C(F)F 238525387 573824083 /nfs/dbraw/zinc/82/40/83/573824083.db2.gz HMZDCHZIISWXBS-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN CCCCCC[C@@H]1CC[C@@H](CO)C1=O 215418890 573824087 /nfs/dbraw/zinc/82/40/87/573824087.db2.gz RYFGRKQQUNVDCP-MNOVXSKESA-N 0 0 198.306 2.544 10 0 AFAERN Cc1cc(C)cc(C2CC(=O)C2)c1 87199351 573824093 /nfs/dbraw/zinc/82/40/93/573824093.db2.gz YKJIEOVLSGVVQQ-UHFFFAOYSA-N 0 0 174.243 2.750 10 0 AFAERN Cc1cc2sc(F)nc2cc1F 238524809 573824112 /nfs/dbraw/zinc/82/41/12/573824112.db2.gz ZREOKNQKZQKAQM-UHFFFAOYSA-N 0 0 185.198 2.883 10 0 AFAERN CCCC/C=C/[C@H](O)[Si](C)(C)C 214955485 573824244 /nfs/dbraw/zinc/82/42/44/573824244.db2.gz NIKOCSWTSMJNIQ-AAXQSMANSA-N 0 0 186.371 2.971 10 0 AFAERN Cc1ccc(C2CC(=O)C2)cc1F 87199277 573825210 /nfs/dbraw/zinc/82/52/10/573825210.db2.gz CHVACOOLYCUEPY-UHFFFAOYSA-N 0 0 178.206 2.581 10 0 AFAERN CC(C)(C)c1cnc(Cl)c(C=O)c1 238129095 573825192 /nfs/dbraw/zinc/82/51/92/573825192.db2.gz VITUAOVULZWEPW-UHFFFAOYSA-N 0 0 197.665 2.845 10 0 AFAERN COc1ccncc1NCCC(C)C 308751078 573825168 /nfs/dbraw/zinc/82/51/68/573825168.db2.gz UOQWDXVXMZAOBH-UHFFFAOYSA-N 0 0 194.278 2.548 10 0 AFAERN Clc1ccc2c(c1)NCCSC2 238531392 573828807 /nfs/dbraw/zinc/82/88/07/573828807.db2.gz GZGGLUNBMGXCDS-UHFFFAOYSA-N 0 0 199.706 2.999 10 0 AFAERN Cc1ccc(=O)c2ccccc2c1 238526310 573826933 /nfs/dbraw/zinc/82/69/33/573826933.db2.gz OFKARNYVCSWZIO-UHFFFAOYSA-N 0 0 170.211 2.508 10 0 AFAERN CC[C@@H](C)C[C@H](NN)c1coc(C)c1 131393960 573828364 /nfs/dbraw/zinc/82/83/64/573828364.db2.gz STYHTDMQEKZVIP-KCJUWKMLSA-N 0 0 196.294 2.529 10 0 AFAERN CCCNc1ccc(Cl)nc1 122838449 573829329 /nfs/dbraw/zinc/82/93/29/573829329.db2.gz NUIKSEWSPGQYRC-UHFFFAOYSA-N 0 0 170.643 2.557 10 0 AFAERN CCC[C@](C)(CO)CCCCOC 131406853 573827852 /nfs/dbraw/zinc/82/78/52/573827852.db2.gz LAGQYSYUBXYYEI-NSHDSACASA-N 0 0 188.311 2.602 10 0 AFAERN CCC[C@H](CC)Nc1cc(C)nn1C 308755394 573827855 /nfs/dbraw/zinc/82/78/55/573827855.db2.gz WFMQEZLOASDJJX-JTQLQIEISA-N 0 0 195.310 2.719 10 0 AFAERN CCCc1[nH]c(=S)[nH]c1CC 87200613 573827895 /nfs/dbraw/zinc/82/78/95/573827895.db2.gz BREJITSREMZELC-UHFFFAOYSA-N 0 0 170.281 2.587 10 0 AFAERN Cc1ccc2ccc(C=O)c-2cc1 238527601 573827971 /nfs/dbraw/zinc/82/79/71/573827971.db2.gz SHUYBMOPQXATDC-UHFFFAOYSA-N 0 0 170.211 2.912 10 0 AFAERN CC1(C)OC(C)(C)c2[nH]c(=S)[nH]c21 87200562 573828010 /nfs/dbraw/zinc/82/80/10/573828010.db2.gz IFCIKEPNGQWTBE-UHFFFAOYSA-N 0 0 198.291 2.573 10 0 AFAERN CC(C)C[C@H](C)C(=O)[C@H]1OCC[C@@H]1C 308445046 573828121 /nfs/dbraw/zinc/82/81/21/573828121.db2.gz ADAHCBHKCCLVKP-NHCYSSNCSA-N 0 0 198.306 2.663 10 0 AFAERN Cc1cnc(Cl)c(OC(C)C)c1 238148653 573828208 /nfs/dbraw/zinc/82/82/08/573828208.db2.gz KOXPFFYDQCAMAS-UHFFFAOYSA-N 0 0 185.654 2.831 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@@H]([NH3+])C[C@H]2C 87220126 573828219 /nfs/dbraw/zinc/82/82/19/573828219.db2.gz WXMLFDXTCFCAJH-XRGYYRRGSA-N 0 0 197.228 2.780 10 0 AFAERN Cc1ccc(CC2CCC(=O)CC2)o1 259205104 573828227 /nfs/dbraw/zinc/82/82/27/573828227.db2.gz SFNIFCYPHWQYDQ-UHFFFAOYSA-N 0 0 192.258 2.890 10 0 AFAERN CSCCC[C@H]1CCCC(=O)C1 131218470 573828228 /nfs/dbraw/zinc/82/82/28/573828228.db2.gz NPARAFAOIGBJBJ-SECBINFHSA-N 0 0 186.320 2.889 10 0 AFAERN CC(=O)[C@@H](C)c1cc(F)c(C)cc1F 87220716 573828233 /nfs/dbraw/zinc/82/82/33/573828233.db2.gz KTZJIJTYPZOYTJ-SSDOTTSWSA-N 0 0 198.212 2.966 10 0 AFAERN CC(C)(C)[C@@H](O)/C=C/[Si](C)(C)C 238149394 573828269 /nfs/dbraw/zinc/82/82/69/573828269.db2.gz IAGTVQHCXQTILN-FLOXNTQESA-N 0 0 186.371 2.827 10 0 AFAERN Cc1c(NC=O)ccc2ccccc12 238531434 573828293 /nfs/dbraw/zinc/82/82/93/573828293.db2.gz LLXYISXJKJUJSG-UHFFFAOYSA-N 0 0 185.226 2.717 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@H]([NH3+])C[C@@H]2C 87220120 573828354 /nfs/dbraw/zinc/82/83/54/573828354.db2.gz WXMLFDXTCFCAJH-YLWLKBPMSA-N 0 0 197.228 2.780 10 0 AFAERN Cc1ccc2cnsc2c1F 238531536 573828596 /nfs/dbraw/zinc/82/85/96/573828596.db2.gz NHBCSRANBQDLPN-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN Cc1[nH]c(=S)[nH]c1C(C)C 87200515 573828487 /nfs/dbraw/zinc/82/84/87/573828487.db2.gz MXRKBEPZWIAULY-UHFFFAOYSA-N 0 0 156.254 2.504 10 0 AFAERN CC[C@@H](C)C1(O)CCCCC1 84329061 573828489 /nfs/dbraw/zinc/82/84/89/573828489.db2.gz DDZVJPFRZCDPEK-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN OCc1cc(C2CCCCCC2)no1 84328967 573828525 /nfs/dbraw/zinc/82/85/25/573828525.db2.gz CAQFXQFONKWRSR-UHFFFAOYSA-N 0 0 195.262 2.605 10 0 AFAERN CCCCc1nc(C2CCCC2)n[nH]1 41057811 573828533 /nfs/dbraw/zinc/82/85/33/573828533.db2.gz SUKPXYACYFEQSH-UHFFFAOYSA-N 0 0 193.294 2.805 10 0 AFAERN O=Cc1ccccc1[C@@H]1C[C@H]1C(F)F 258150972 573828543 /nfs/dbraw/zinc/82/85/43/573828543.db2.gz RZLJAMGFVRIHLE-VHSXEESVSA-N 0 0 196.196 2.868 10 0 AFAERN C=COc1c(C)cccc1C(C)=O 238146209 573828571 /nfs/dbraw/zinc/82/85/71/573828571.db2.gz YKSXZCCFMVCOQW-UHFFFAOYSA-N 0 0 176.215 2.720 10 0 AFAERN Cc1c(N)csc1-c1cccnc1 238526830 573828572 /nfs/dbraw/zinc/82/85/72/573828572.db2.gz DBTQDRAMSBINDK-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN c1n[nH]cc1NCC1CCCCCC1 84328528 573828591 /nfs/dbraw/zinc/82/85/91/573828591.db2.gz NRSXFAMRQBENAY-UHFFFAOYSA-N 0 0 193.294 2.792 10 0 AFAERN Cc1cc(F)cc2cnc(Cl)nc12 238531662 573828628 /nfs/dbraw/zinc/82/86/28/573828628.db2.gz BEQJJTXGFNAZRT-UHFFFAOYSA-N 0 0 196.612 2.731 10 0 AFAERN CC1(C)CCCc2[nH]c(=S)[nH]c21 87200560 573828736 /nfs/dbraw/zinc/82/87/36/573828736.db2.gz MXFWBMNSKDUBRC-UHFFFAOYSA-N 0 0 182.292 2.686 10 0 AFAERN c1ccc(Nc2cncs2)cc1 238540143 573828800 /nfs/dbraw/zinc/82/88/00/573828800.db2.gz MZEAGELPNNRJGB-UHFFFAOYSA-N 0 0 176.244 2.887 10 0 AFAERN CC[C@H](C)C[C@H](NN)c1coc(C)c1 131394187 573828812 /nfs/dbraw/zinc/82/88/12/573828812.db2.gz STYHTDMQEKZVIP-KWQFWETISA-N 0 0 196.294 2.529 10 0 AFAERN CC(C)CCc1nc(C(C)C)n[nH]1 41057083 573828832 /nfs/dbraw/zinc/82/88/32/573828832.db2.gz OLBVXVAONIYMPA-UHFFFAOYSA-N 0 0 181.283 2.517 10 0 AFAERN CC(C)(C)CC1=CCC[C@@H]1O 238146455 573828881 /nfs/dbraw/zinc/82/88/81/573828881.db2.gz CPSDDNPVSSAMFC-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN Cc1ccc2ccc(=S)[nH]c2n1 238527149 573828885 /nfs/dbraw/zinc/82/88/85/573828885.db2.gz QNCFYXIGINQMIA-UHFFFAOYSA-N 0 0 176.244 2.601 10 0 AFAERN CC(=O)c1cccc2ccc(N)cc12 238148312 573828933 /nfs/dbraw/zinc/82/89/33/573828933.db2.gz NBXOQSSYYSEBFZ-UHFFFAOYSA-N 0 0 185.226 2.625 10 0 AFAERN CC[C@H](C)C[C@@H](NN)c1ccc(C)o1 131402779 573828943 /nfs/dbraw/zinc/82/89/43/573828943.db2.gz PZRBUZDLVKBBEB-WCBMZHEXSA-N 0 0 196.294 2.529 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@H](O)C[C@H]2C 87220159 573828961 /nfs/dbraw/zinc/82/89/61/573828961.db2.gz CDCJBTDWIGRNGC-SVGQVSJJSA-N 0 0 198.212 2.814 10 0 AFAERN C[Si](C)(C)C[C@@H](O)c1ccoc1 238526599 573828978 /nfs/dbraw/zinc/82/89/78/573828978.db2.gz LSXRFPFJOBGJNA-SECBINFHSA-N 0 0 184.311 2.651 10 0 AFAERN CC[C@@H](C)C[C@@H](CC1CCCC1)NN 131399597 573829004 /nfs/dbraw/zinc/82/90/04/573829004.db2.gz YSCROXDBWPSOHC-PWSUYJOCSA-N 0 0 198.354 2.835 10 0 AFAERN C[C@@H]1Cc2cccc([C@@H](C)O)c2S1 258144019 573829014 /nfs/dbraw/zinc/82/90/14/573829014.db2.gz QPLDKDKXXFXOKO-HTQZYQBOSA-N 0 0 194.299 2.777 10 0 AFAERN Cc1cccc(F)c1-c1nncs1 238527292 573829028 /nfs/dbraw/zinc/82/90/28/573829028.db2.gz VRFIENOOAIIGAC-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1cc2c3c(cccc3c1)[C@@H](O)C2 238526771 573829043 /nfs/dbraw/zinc/82/90/43/573829043.db2.gz SZZJBHIGRDFRGY-LBPRGKRZSA-N 0 0 184.238 2.738 10 0 AFAERN CC(C)(C)CC1=CCC[C@H]1O 238146469 573829103 /nfs/dbraw/zinc/82/91/03/573829103.db2.gz CPSDDNPVSSAMFC-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cc2c3c(cccc3c1)[C@H](O)C2 238526752 573829111 /nfs/dbraw/zinc/82/91/11/573829111.db2.gz SZZJBHIGRDFRGY-GFCCVEGCSA-N 0 0 184.238 2.738 10 0 AFAERN C[Si](C)(C)C[Si](C)(C)CCO 238527945 573829151 /nfs/dbraw/zinc/82/91/51/573829151.db2.gz ZMVXOKZCEWEKRC-UHFFFAOYSA-N 0 0 190.435 2.565 10 0 AFAERN CCCNc1ncc(C)c(C(C)C)n1 87203737 573829200 /nfs/dbraw/zinc/82/92/00/573829200.db2.gz IWGBYKOQSWSMHC-UHFFFAOYSA-N 0 0 193.294 2.730 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@H]([NH3+])C[C@H]2C 87220124 573829289 /nfs/dbraw/zinc/82/92/89/573829289.db2.gz WXMLFDXTCFCAJH-SVGQVSJJSA-N 0 0 197.228 2.780 10 0 AFAERN CC(C)(C)CC1=CCCC[C@@H]1O 238146406 573829290 /nfs/dbraw/zinc/82/92/90/573829290.db2.gz UOHPNUIUCSIFAW-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN Cc1cc(F)c2c(c1F)[C@@H](O)C[C@@H]2C 87220157 573829312 /nfs/dbraw/zinc/82/93/12/573829312.db2.gz CDCJBTDWIGRNGC-XNCJUZBTSA-N 0 0 198.212 2.814 10 0 AFAERN CCC(CC)[C@H]([NH3+])c1nccs1 41059956 573833240 /nfs/dbraw/zinc/83/32/40/573833240.db2.gz NATWODPKNAYJIN-QMMMGPOBSA-N 0 0 184.308 2.579 10 0 AFAERN Cc1nc2cccc([C@@H](C)O)c2s1 258152944 573836044 /nfs/dbraw/zinc/83/60/44/573836044.db2.gz UGEIQMRCILMEFU-ZCFIWIBFSA-N 0 0 193.271 2.658 10 0 AFAERN CC(C)(C)CCC(=O)[C@@]1(C)CCCO1 87226674 573833308 /nfs/dbraw/zinc/83/33/08/573833308.db2.gz UQCONYGVEYWGRH-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1nc(Cl)c(N)cc1C(F)F 238531854 573833352 /nfs/dbraw/zinc/83/33/52/573833352.db2.gz OOUVNEBQQOISNJ-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1nc(-c2ccc(F)c(F)c2)c[nH]1 238533293 573833361 /nfs/dbraw/zinc/83/33/61/573833361.db2.gz CTUIMCSDQVTFCA-UHFFFAOYSA-N 0 0 194.184 2.663 10 0 AFAERN Cc1nc(Cl)c(O)cc1C(F)F 238532013 573833286 /nfs/dbraw/zinc/83/32/86/573833286.db2.gz UPRAZDAOZUEIRA-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CC[C@H](C)C[C@@H](NN)[C@@H](C)C(C)C 131419302 573832635 /nfs/dbraw/zinc/83/26/35/573832635.db2.gz OSLYRHDRWUMBNG-GARJFASQSA-N 0 0 186.343 2.547 10 0 AFAERN CC(C)C[C@H]1C(=O)CC1(C)C 238146633 573832677 /nfs/dbraw/zinc/83/26/77/573832677.db2.gz XCHRHOUJYOONGE-QMMMGPOBSA-N 0 0 154.253 2.648 10 0 AFAERN CC[C@@H](F)CNc1ccc(OC)cc1 308761798 573832697 /nfs/dbraw/zinc/83/26/97/573832697.db2.gz YGBGGNVDGWCWLO-SECBINFHSA-N 0 0 197.253 2.855 10 0 AFAERN CCCC[C@@H]([NH3+])c1nc(C)c(C)s1 41060030 573832732 /nfs/dbraw/zinc/83/27/32/573832732.db2.gz HOHMWWRYMYKORP-SECBINFHSA-N 0 0 198.335 2.950 10 0 AFAERN CC[C@H](F)CNc1ccc(OC)cc1 308761799 573832736 /nfs/dbraw/zinc/83/27/36/573832736.db2.gz YGBGGNVDGWCWLO-VIFPVBQESA-N 0 0 197.253 2.855 10 0 AFAERN CC(C)(C)CC1=NC(C)(C)NC1=S 238146533 573832761 /nfs/dbraw/zinc/83/27/61/573832761.db2.gz QNQAOOWRBQUYRA-UHFFFAOYSA-N 0 0 198.335 2.530 10 0 AFAERN Cc1ccc2c(nc(Cl)n2C)c1C 238532051 573832802 /nfs/dbraw/zinc/83/28/02/573832802.db2.gz IXIZQQCYZPGQDC-UHFFFAOYSA-N 0 0 194.665 2.844 10 0 AFAERN Cc1c(Cl)cnc(C(F)F)c1O 238533467 573832806 /nfs/dbraw/zinc/83/28/06/573832806.db2.gz NHJRBNXAQPEQER-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN C[C@H](O)Cc1ccccc1C(F)F 258142999 573832815 /nfs/dbraw/zinc/83/28/15/573832815.db2.gz SRTAHNDUFSHQCT-ZETCQYMHSA-N 0 0 186.201 2.548 10 0 AFAERN O=Cc1ccccc1[C@H]1C[C@H]1C(F)F 258150970 573832826 /nfs/dbraw/zinc/83/28/26/573832826.db2.gz RZLJAMGFVRIHLE-NXEZZACHSA-N 0 0 196.196 2.868 10 0 AFAERN Cc1cc(Cl)c2c(c1)C(=O)CCN2 238532904 573832977 /nfs/dbraw/zinc/83/29/77/573832977.db2.gz FQKVRFVLZWBVBO-UHFFFAOYSA-N 0 0 195.649 2.647 10 0 AFAERN CCC(C)(C)[C@H](O)C=C(C)C 122837574 573833002 /nfs/dbraw/zinc/83/30/02/573833002.db2.gz IGDIPKNXUHKWST-SECBINFHSA-N 0 0 156.269 2.750 10 0 AFAERN CCC(=CCl)CC 79428360 573833011 /nfs/dbraw/zinc/83/30/11/573833011.db2.gz OIXYALOFXKMPMT-UHFFFAOYSA-N 0 0 118.607 2.929 10 0 AFAERN OC1(CCc2cccc(F)c2)CCC1 257885287 573833021 /nfs/dbraw/zinc/83/30/21/573833021.db2.gz BSWCWFPBPKXZIT-UHFFFAOYSA-N 0 0 194.249 2.673 10 0 AFAERN CC(C)=C[C@H](O)Cc1cccc(C)c1 122852407 573833050 /nfs/dbraw/zinc/83/30/50/573833050.db2.gz KKMGZSCSWUUYTD-ZDUSSCGKSA-N 0 0 190.286 2.865 10 0 AFAERN CSCc1ccc(O)cc1Cl 258143074 573833062 /nfs/dbraw/zinc/83/30/62/573833062.db2.gz OSBFYXGDPWQTEN-UHFFFAOYSA-N 0 0 188.679 2.909 10 0 AFAERN Nc1cncc([C@@H]2CCCCS2)c1 258143720 573833098 /nfs/dbraw/zinc/83/30/98/573833098.db2.gz RIWQRMKOIVANRH-JTQLQIEISA-N 0 0 194.303 2.622 10 0 AFAERN CCCCC[C@@H]([NH2+]C)c1nccs1 41060282 573833303 /nfs/dbraw/zinc/83/33/03/573833303.db2.gz QHMLBLAHWKOFKW-SECBINFHSA-N 0 0 198.335 2.984 10 0 AFAERN CC(C)(C)[C@@H](O)[C@@H]1C=CC=CCC1 238149157 573833119 /nfs/dbraw/zinc/83/31/19/573833119.db2.gz ICTCIOPSBMKHHM-MNOVXSKESA-N 0 0 180.291 2.916 10 0 AFAERN Cc1cc2ccc(CON)cc2s1 258143880 573833140 /nfs/dbraw/zinc/83/31/40/573833140.db2.gz QOUOBOYRNDSEQQ-UHFFFAOYSA-N 0 0 193.271 2.600 10 0 AFAERN O=Cc1ccccc1[C@H]1C[C@@H]1C(F)F 258150973 573833160 /nfs/dbraw/zinc/83/31/60/573833160.db2.gz RZLJAMGFVRIHLE-ZJUUUORDSA-N 0 0 196.196 2.868 10 0 AFAERN O=C1CCO[C@@H](C2CCCCCC2)C1 84330574 573833620 /nfs/dbraw/zinc/83/36/20/573833620.db2.gz XURYIGMLLXZWSJ-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN Cc1[nH]c(Cl)cc(=O)c1C(F)F 238533216 573833781 /nfs/dbraw/zinc/83/37/81/573833781.db2.gz NUHKMGXAYSUTEB-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1cccc2c1[C@H](CCO)CS2 258149808 573833787 /nfs/dbraw/zinc/83/37/87/573833787.db2.gz LFQGCSHDNBBCIR-SECBINFHSA-N 0 0 194.299 2.567 10 0 AFAERN O[C@H](C1CCCCCC1)C(F)(F)F 84330291 573833840 /nfs/dbraw/zinc/83/38/40/573833840.db2.gz MTYNWKANVRUABJ-MRVPVSSYSA-N 0 0 196.212 2.880 10 0 AFAERN CC[C@H](C)C1(O)CCC(C)CC1 84331905 573833866 /nfs/dbraw/zinc/83/38/66/573833866.db2.gz WMQVKTSMCDYLOI-YVNMAJEFSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1nc2cccc([C@H](C)O)c2s1 258152941 573833874 /nfs/dbraw/zinc/83/38/74/573833874.db2.gz UGEIQMRCILMEFU-LURJTMIESA-N 0 0 193.271 2.658 10 0 AFAERN O=C1CCC[C@@H]2CCCC[C@@]12F 238532177 573833929 /nfs/dbraw/zinc/83/39/29/573833929.db2.gz IISMYMYXUPPAEI-WPRPVWTQSA-N 0 0 170.227 2.638 10 0 AFAERN Cc1nc(Cl)ccc1OC1CCC1 238533732 573833939 /nfs/dbraw/zinc/83/39/39/573833939.db2.gz FELDKAQVSFVGOU-UHFFFAOYSA-N 0 0 197.665 2.975 10 0 AFAERN CCOc1cc(C)c(F)cc1C(C)=O 87224894 573833947 /nfs/dbraw/zinc/83/39/47/573833947.db2.gz ATGZNTSOYJNTIP-UHFFFAOYSA-N 0 0 196.221 2.735 10 0 AFAERN Cn1c(Cl)cnc1CC(C)(C)C 258432637 573834026 /nfs/dbraw/zinc/83/40/26/573834026.db2.gz DMZMCPBPEQCYGM-UHFFFAOYSA-N 0 0 186.686 2.662 10 0 AFAERN C[C@@H]1C[C@@]1(CO)C1CCCCC1 258965654 573834080 /nfs/dbraw/zinc/83/40/80/573834080.db2.gz HILXAPJVKCXNAC-KOLCDFICSA-N 0 0 168.280 2.585 10 0 AFAERN CC(C)=CC/C(C)=C/CCO 238141464 573834209 /nfs/dbraw/zinc/83/42/09/573834209.db2.gz MIKMUNWRJHIJGX-BJMVGYQFSA-N 0 0 154.253 2.671 10 0 AFAERN CC(C)=CC[C@@H]1CCC[C@H](O)C1 238155396 573834312 /nfs/dbraw/zinc/83/43/12/573834312.db2.gz BDZAIGMZHATLPH-QWRGUYRKSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1nc(Cl)cc(C(F)F)c1N 238532693 573834320 /nfs/dbraw/zinc/83/43/20/573834320.db2.gz JNLLIKBPKXKBEL-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN Cc1nc(Cl)cc(N)c1C(F)F 238533185 573834382 /nfs/dbraw/zinc/83/43/82/573834382.db2.gz YGYUFAZFJMAMPI-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN C[C@]1(C(=O)CC2CCCC2)CCCO1 87226730 573836083 /nfs/dbraw/zinc/83/60/83/573836083.db2.gz NYVPJSVHDHJFII-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN CCC(CC)n1ccnc1C 79465328 573836139 /nfs/dbraw/zinc/83/61/39/573836139.db2.gz QCZLQSFBOYXYKK-UHFFFAOYSA-N 0 0 152.241 2.553 10 0 AFAERN CC1CCC(CNc2cn[nH]c2)CC1 84330981 573836254 /nfs/dbraw/zinc/83/62/54/573836254.db2.gz PUQDDXRVOKPHMM-UHFFFAOYSA-N 0 0 193.294 2.648 10 0 AFAERN C[C@H]1C[C@@]1(CO)C1CCCCC1 258965656 573836255 /nfs/dbraw/zinc/83/62/55/573836255.db2.gz HILXAPJVKCXNAC-ONGXEEELSA-N 0 0 168.280 2.585 10 0 AFAERN C[C@H](O)CCCC(=O)[C@@H]1CCC[C@H]1C 308448512 573836268 /nfs/dbraw/zinc/83/62/68/573836268.db2.gz PEBKGIDDHVQYDU-OUAUKWLOSA-N 0 0 198.306 2.543 10 0 AFAERN CC(C)C[C@H](O)C1=CC[C@H](C)O[C@@H]1C 238140558 573836307 /nfs/dbraw/zinc/83/63/07/573836307.db2.gz NZJIQZIRJROUGH-UMNHJUIQSA-N 0 0 198.306 2.517 10 0 AFAERN N[C@H](C1CCCCCC1)C(F)(F)F 84330546 573836330 /nfs/dbraw/zinc/83/63/30/573836330.db2.gz YQPWTAPJKWHCAO-MRVPVSSYSA-N 0 0 195.228 2.846 10 0 AFAERN CC(C)C[C@H](O)C1=CC[C@@H](C)O[C@@H]1C 238140526 573836351 /nfs/dbraw/zinc/83/63/51/573836351.db2.gz NZJIQZIRJROUGH-FOGDFJRCSA-N 0 0 198.306 2.517 10 0 AFAERN CSc1cc([C@H](C)O)ccc1F 258152888 573836357 /nfs/dbraw/zinc/83/63/57/573836357.db2.gz UEZFPUGFURYWLL-LURJTMIESA-N 0 0 186.251 2.601 10 0 AFAERN C/C=C\CC[C@@H](O)Cc1ccccc1 308449542 573836380 /nfs/dbraw/zinc/83/63/80/573836380.db2.gz QBPRTNYQEYDJOF-XQJDBVBESA-N 0 0 190.286 2.946 10 0 AFAERN CC(/C=C/Cl)=C\Cl 205508479 573836401 /nfs/dbraw/zinc/83/64/01/573836401.db2.gz QGJILAVSVXYCSC-MQQKCMAXSA-N 0 0 137.009 2.882 10 0 AFAERN Cc1c(Cl)[nH]cc(C(F)F)c1=O 238533081 573836416 /nfs/dbraw/zinc/83/64/16/573836416.db2.gz UVLIMFPTCZABDH-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1cccc(C2(O)CCC2)c1C 84333202 573836417 /nfs/dbraw/zinc/83/64/17/573836417.db2.gz IQTRTYGILKWVHN-UHFFFAOYSA-N 0 0 176.259 2.675 10 0 AFAERN C=Cc1cc(F)c(C)cc1F 87220908 573836464 /nfs/dbraw/zinc/83/64/64/573836464.db2.gz SUGLZPAXDJONBM-UHFFFAOYSA-N 0 0 154.159 2.916 10 0 AFAERN COc1cccc(-c2ccoc2N)c1 258153189 573836488 /nfs/dbraw/zinc/83/64/88/573836488.db2.gz PRNJXKOFCMETLO-UHFFFAOYSA-N 0 0 189.214 2.537 10 0 AFAERN Cc1ccc(-c2ccoc2N)cc1 258153107 573836498 /nfs/dbraw/zinc/83/64/98/573836498.db2.gz POUQVCSGVBEILH-UHFFFAOYSA-N 0 0 173.215 2.837 10 0 AFAERN O=C1CCO[C@H](C2CCCCCC2)C1 84330572 573836504 /nfs/dbraw/zinc/83/65/04/573836504.db2.gz XURYIGMLLXZWSJ-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN CC(C)Oc1ccc(N=O)c(O)c1 238154985 573836538 /nfs/dbraw/zinc/83/65/38/573836538.db2.gz IQEVLZOFYAWZCQ-UHFFFAOYSA-N 0 0 181.191 2.577 10 0 AFAERN O=C(c1cscn1)C1CCCC1 84336349 573836585 /nfs/dbraw/zinc/83/65/85/573836585.db2.gz MRLVWEDEFBOYSV-UHFFFAOYSA-N 0 0 181.260 2.516 10 0 AFAERN CCCN(CC)c1c(N)cccc1F 308451230 573836589 /nfs/dbraw/zinc/83/65/89/573836589.db2.gz CHHQZVAQGBHKOO-UHFFFAOYSA-N 0 0 196.269 2.644 10 0 AFAERN Cc1cc2c(cc1Cl)NCCC2=O 238540145 573836614 /nfs/dbraw/zinc/83/66/14/573836614.db2.gz NXCJMVXNAVBDIA-UHFFFAOYSA-N 0 0 195.649 2.647 10 0 AFAERN Cc1cc(F)cc2nc(Cl)[nH]c12 238531891 573836694 /nfs/dbraw/zinc/83/66/94/573836694.db2.gz CXALXJLHRCANPH-UHFFFAOYSA-N 0 0 184.601 2.664 10 0 AFAERN C[C@H](O)CCCC(=O)[C@H]1CCC[C@H]1C 308448513 573836815 /nfs/dbraw/zinc/83/68/15/573836815.db2.gz PEBKGIDDHVQYDU-VWYCJHECSA-N 0 0 198.306 2.543 10 0 AFAERN CCSCc1ccc(N)c(C)c1 258153223 573836839 /nfs/dbraw/zinc/83/68/39/573836839.db2.gz PSQQPJBEOBBFNP-UHFFFAOYSA-N 0 0 181.304 2.830 10 0 AFAERN C/C(=C/C1CCC(C)CC1)[N+](=O)[O-] 84339184 573836858 /nfs/dbraw/zinc/83/68/58/573836858.db2.gz RQILDXOUEYQVOE-CLFYSBASSA-N 0 0 183.251 2.993 10 0 AFAERN Cc1cc(F)cc2sncc12 238532125 573836892 /nfs/dbraw/zinc/83/68/92/573836892.db2.gz JFGAHSKCRQXPGA-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN C[C@@]1(C(=O)C2CCCCC2)CCCO1 87226759 573836924 /nfs/dbraw/zinc/83/69/24/573836924.db2.gz LRPIHSDFGHXJRS-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN Cc1cc(F)ccc1CF 238533281 573836951 /nfs/dbraw/zinc/83/69/51/573836951.db2.gz OKHLCALETWVKKQ-UHFFFAOYSA-N 0 0 142.148 2.604 10 0 AFAERN OC1(Cc2ccoc2)CCCCC1 84335481 573836970 /nfs/dbraw/zinc/83/69/70/573836970.db2.gz ZTKQSCPLZNCGPO-UHFFFAOYSA-N 0 0 180.247 2.517 10 0 AFAERN CCCCNc1cnn(C)c1C1CC1 308763336 573837139 /nfs/dbraw/zinc/83/71/39/573837139.db2.gz ZBDISWKFOBOUTH-UHFFFAOYSA-N 0 0 193.294 2.510 10 0 AFAERN Cc1nc(Cl)ccc1C(F)F 238533511 573837181 /nfs/dbraw/zinc/83/71/81/573837181.db2.gz SOYCLQBXGGCEMN-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN Cc1c(O)c(C)c(Cl)c(C)c1O 238533824 573838165 /nfs/dbraw/zinc/83/81/65/573838165.db2.gz XFUNKVZMKZQYAV-UHFFFAOYSA-N 0 0 186.638 2.676 10 0 AFAERN CCCCCC[C@H](O)C/C=C\OC 222252688 573838182 /nfs/dbraw/zinc/83/81/82/573838182.db2.gz WIFZPGYALSYWRC-BRNRAETOSA-N 0 0 186.295 2.868 10 0 AFAERN Clc1ccc2c(c1)NC=CN2 238533972 573838428 /nfs/dbraw/zinc/83/84/28/573838428.db2.gz QVAPGVKHDGMDHG-UHFFFAOYSA-N 0 0 166.611 2.649 10 0 AFAERN C[C@H]1CCC(=O)c2cc(F)ccc2N1 257886533 573838279 /nfs/dbraw/zinc/83/82/79/573838279.db2.gz WISJLRZBJJNDFH-ZETCQYMHSA-N 0 0 193.221 2.603 10 0 AFAERN Cc1cccc2c1[C@@H](CCO)CS2 258149819 573838300 /nfs/dbraw/zinc/83/83/00/573838300.db2.gz LFQGCSHDNBBCIR-VIFPVBQESA-N 0 0 194.299 2.567 10 0 AFAERN Cc1ccc([C@H]2CCC(=O)C2)c(O)c1 238535530 573838339 /nfs/dbraw/zinc/83/83/39/573838339.db2.gz PONPDAFDAOTCNY-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN Fc1cccc(OC2CC2)c1F 238534412 573838383 /nfs/dbraw/zinc/83/83/83/573838383.db2.gz KCTMVAPWSUNMEE-UHFFFAOYSA-N 0 0 170.158 2.506 10 0 AFAERN COc1cccc2c(F)ccc(N)c12 259623144 573838412 /nfs/dbraw/zinc/83/84/12/573838412.db2.gz FMYXODZVPJWGKG-UHFFFAOYSA-N 0 0 191.205 2.570 10 0 AFAERN CC(C)C[C@@H]1CC[C@@H](C)C[C@@H]1O 238156629 573839412 /nfs/dbraw/zinc/83/94/12/573839412.db2.gz IWLYLLAUCYCPGN-VWYCJHECSA-N 0 0 170.296 2.830 10 0 AFAERN C[C@@H]1CCC[C@H]([C@H](N)C(F)(F)F)C1 84346689 573841622 /nfs/dbraw/zinc/84/16/22/573841622.db2.gz HMTINLGWGAQDFS-CSMHCCOUSA-N 0 0 195.228 2.702 10 0 AFAERN CC[C@@H](Nc1ccnn1CC)C(C)C 308757442 573841628 /nfs/dbraw/zinc/84/16/28/573841628.db2.gz WVHGYTKKYDNOFL-SNVBAGLBSA-N 0 0 195.310 2.750 10 0 AFAERN CC(C)=CC[C@H]1CCC[C@H](O)C1 238157674 573839269 /nfs/dbraw/zinc/83/92/69/573839269.db2.gz BDZAIGMZHATLPH-MNOVXSKESA-N 0 0 168.280 2.894 10 0 AFAERN Cc1cc(C)c(C(F)F)c(C)n1 238535008 573839338 /nfs/dbraw/zinc/83/93/38/573839338.db2.gz FRMVGLQZHITJAL-UHFFFAOYSA-N 0 0 171.190 2.944 10 0 AFAERN CC(C)C[C@@H]1CCc2ccc(CO)n21 238156969 573839348 /nfs/dbraw/zinc/83/93/48/573839348.db2.gz ZEONVBCKFVIVDG-NSHDSACASA-N 0 0 193.290 2.514 10 0 AFAERN CC(=O)c1nc(C)cc2oc(C)cc12 238156511 573839353 /nfs/dbraw/zinc/83/93/53/573839353.db2.gz AUYMQUQIHRNRHW-UHFFFAOYSA-N 0 0 189.214 2.647 10 0 AFAERN C[C@@H]1CCC[C@H]([C@@H]2CC(=O)CCO2)C1 84346801 573839375 /nfs/dbraw/zinc/83/93/75/573839375.db2.gz GCCQVGHCPRYUCG-SCVCMEIPSA-N 0 0 196.290 2.561 10 0 AFAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1CO 84348464 573839386 /nfs/dbraw/zinc/83/93/86/573839386.db2.gz AEFLYRHUYOYCLW-OUAUKWLOSA-N 0 0 170.296 2.687 10 0 AFAERN CCC[C@@H]1CCC[C@H](CO)CC1 84348404 573839395 /nfs/dbraw/zinc/83/93/95/573839395.db2.gz IMWKNIKPYAZGKJ-MNOVXSKESA-N 0 0 170.296 2.975 10 0 AFAERN Cc1coc2cc(C(C)(C)O)ccc12 258150389 573839536 /nfs/dbraw/zinc/83/95/36/573839536.db2.gz QZLGZHFJWWMWNC-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN COc1cc(C)c(SO)cc1C 259210249 573839657 /nfs/dbraw/zinc/83/96/57/573839657.db2.gz LLSVNELAXKTSOO-UHFFFAOYSA-N 0 0 184.260 2.877 10 0 AFAERN Cc1nc(-c2cccc(F)c2)c[nH]1 238534560 573839669 /nfs/dbraw/zinc/83/96/69/573839669.db2.gz XJSPAGGTISRFIF-UHFFFAOYSA-N 0 0 176.194 2.524 10 0 AFAERN Cc1c(O)c(Cl)cc(O)c1Cl 238534974 573839751 /nfs/dbraw/zinc/83/97/51/573839751.db2.gz GHGZKFSVYAYWFK-UHFFFAOYSA-N 0 0 193.029 2.713 10 0 AFAERN CC(C)(C)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 238156973 573839766 /nfs/dbraw/zinc/83/97/66/573839766.db2.gz PIHJONAIMNJBQE-DJLDLDEBSA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@H](Nc1ccnn1CC)C(C)C 308757429 573839768 /nfs/dbraw/zinc/83/97/68/573839768.db2.gz WVHGYTKKYDNOFL-JTQLQIEISA-N 0 0 195.310 2.750 10 0 AFAERN CCCc1nccn1CO[C@@H](C)CC 308450121 573839831 /nfs/dbraw/zinc/83/98/31/573839831.db2.gz BBTPXOUMDRLAEF-JTQLQIEISA-N 0 0 196.294 2.608 10 0 AFAERN C[C@H]1CCC[C@@H](/C=C/[N+](=O)[O-])C1 84341596 573840632 /nfs/dbraw/zinc/84/06/32/573840632.db2.gz PRXAITMALBYLHR-MUNZNRDXSA-N 0 0 169.224 2.603 10 0 AFAERN CCC(=O)N[C@@H]1CC(C)(C)CC[C@H]1C 78211575 573840633 /nfs/dbraw/zinc/84/06/33/573840633.db2.gz CPNYKTUGNOBNRP-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)[C@H]1CC[C@H](C)[C@@H](F)C1=O 238158439 573840665 /nfs/dbraw/zinc/84/06/65/573840665.db2.gz CBYQKXXZPZBXBI-DJLDLDEBSA-N 0 0 172.243 2.596 10 0 AFAERN C[C@@](O)(CC1CCCC1)c1ccc[nH]1 689825597 573840687 /nfs/dbraw/zinc/84/06/87/573840687.db2.gz YCDJNAHXCNSXBK-GFCCVEGCSA-N 0 0 193.290 2.803 10 0 AFAERN CCC(=O)N[C@H]1CC(C)(C)CC[C@@H]1C 78211574 573840807 /nfs/dbraw/zinc/84/08/07/573840807.db2.gz CPNYKTUGNOBNRP-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN CC(=O)c1nc(C)cc2occ(C)c12 238156566 573840856 /nfs/dbraw/zinc/84/08/56/573840856.db2.gz CSOHTDOKACLIBE-UHFFFAOYSA-N 0 0 189.214 2.647 10 0 AFAERN CC(C)=CC[C@H](O)c1ccoc1 238157401 573840879 /nfs/dbraw/zinc/84/08/79/573840879.db2.gz HLFYMVSTYLEACN-JTQLQIEISA-N 0 0 166.220 2.669 10 0 AFAERN CC(C)[C@H]1CCC[C@@H](CO)CC1 84348550 573840889 /nfs/dbraw/zinc/84/08/89/573840889.db2.gz ZJESAOWJNBLQTJ-MNOVXSKESA-N 0 0 170.296 2.831 10 0 AFAERN Cc1cc(Cl)ccc1N(C)C#N 259207928 573841590 /nfs/dbraw/zinc/84/15/90/573841590.db2.gz JJDVXJVBTYFEOF-UHFFFAOYSA-N 0 0 180.638 2.566 10 0 AFAERN CCC[C@H]1CCC[C@H](CO)CC1 84348408 573840923 /nfs/dbraw/zinc/84/09/23/573840923.db2.gz IMWKNIKPYAZGKJ-QWRGUYRKSA-N 0 0 170.296 2.975 10 0 AFAERN CC(=O)c1ncc(C)c2occ(C)c12 238157990 573840956 /nfs/dbraw/zinc/84/09/56/573840956.db2.gz YWJGIOBXWHNHKH-UHFFFAOYSA-N 0 0 189.214 2.647 10 0 AFAERN CCC[C@@H]1CCC[C@@H](CO)CC1 84348415 573840966 /nfs/dbraw/zinc/84/09/66/573840966.db2.gz IMWKNIKPYAZGKJ-GHMZBOCLSA-N 0 0 170.296 2.975 10 0 AFAERN CC(=O)N[C@H]1C[C@@H](C(C)C)CC[C@@H]1C 238158633 573840988 /nfs/dbraw/zinc/84/09/88/573840988.db2.gz QRTCXASYEXWPJV-DLOVCJGASA-N 0 0 197.322 2.583 10 0 AFAERN Cc1cc(C)cc(NC(=O)CN=O)c1 393565138 573841094 /nfs/dbraw/zinc/84/10/94/573841094.db2.gz PDJLATOOIWPZRI-UXBLZVDNSA-N 0 0 192.218 2.839 10 0 AFAERN Cn1nccc1-c1ccc(Cl)cc1 78212007 573841274 /nfs/dbraw/zinc/84/12/74/573841274.db2.gz DZEQTUVULKDHJI-UHFFFAOYSA-N 0 0 192.649 2.741 10 0 AFAERN CC1(C)CC[C@H](CO)c2ccccc21 84348506 573841314 /nfs/dbraw/zinc/84/13/14/573841314.db2.gz LYROTKFUTJJEHB-SNVBAGLBSA-N 0 0 190.286 2.834 10 0 AFAERN CC(C)=CC[C@H](O)c1ccccc1O 238157358 573841333 /nfs/dbraw/zinc/84/13/33/573841333.db2.gz PVSARONVQSJRDU-LBPRGKRZSA-N 0 0 192.258 2.782 10 0 AFAERN Cc1cc(C)c(C(C)(C)C)[nH]1 238534569 573841351 /nfs/dbraw/zinc/84/13/51/573841351.db2.gz PBRWEQDQHULKEJ-UHFFFAOYSA-N 0 0 151.253 2.929 10 0 AFAERN Cc1c(O)c(Cl)cc(N)c1Cl 238534924 573841397 /nfs/dbraw/zinc/84/13/97/573841397.db2.gz RBDPKWHDSASAEX-UHFFFAOYSA-N 0 0 192.045 2.590 10 0 AFAERN Cc1cc(Cl)c2sc(N)nc2c1 238535160 573841428 /nfs/dbraw/zinc/84/14/28/573841428.db2.gz NIVAREZPRUTXPD-UHFFFAOYSA-N 0 0 198.678 2.840 10 0 AFAERN CC(C)=CC[C@H]1CCC[C@@H](O)C1 238157625 573842545 /nfs/dbraw/zinc/84/25/45/573842545.db2.gz BDZAIGMZHATLPH-GHMZBOCLSA-N 0 0 168.280 2.894 10 0 AFAERN CC1CCC([C@H](N)C(F)(F)F)CC1 84339996 573842579 /nfs/dbraw/zinc/84/25/79/573842579.db2.gz PHEQKVZRHHXSDE-RRQHEKLDSA-N 0 0 195.228 2.702 10 0 AFAERN Cc1ccsc1C(C)(C)CCO 84345294 573842829 /nfs/dbraw/zinc/84/28/29/573842829.db2.gz DHZLLBLOKVHDLX-UHFFFAOYSA-N 0 0 184.304 2.717 10 0 AFAERN CC(=O)c1ncc(C)c2oc(C)cc12 238157955 573842851 /nfs/dbraw/zinc/84/28/51/573842851.db2.gz RCXKYEQQFMNEKA-UHFFFAOYSA-N 0 0 189.214 2.647 10 0 AFAERN CC[C@@H]1CCC[C@H](CO)CC1 84348571 573842855 /nfs/dbraw/zinc/84/28/55/573842855.db2.gz PEPWANZCPNGUPU-ZJUUUORDSA-N 0 0 156.269 2.585 10 0 AFAERN Nc1ccccc1[C@H]1CCCSC1 257887458 573842878 /nfs/dbraw/zinc/84/28/78/573842878.db2.gz WKFMZHSOMFXVHF-VIFPVBQESA-N 0 0 193.315 2.879 10 0 AFAERN C/C=C\CC[C@H](O)Cc1ccccc1 308449544 573842894 /nfs/dbraw/zinc/84/28/94/573842894.db2.gz QBPRTNYQEYDJOF-ZRMMWKCHSA-N 0 0 190.286 2.946 10 0 AFAERN CC(C)CO[P@](C)(=O)CC=O 238157181 573842966 /nfs/dbraw/zinc/84/29/66/573842966.db2.gz FBNHQTWRNUTTDQ-ZWNMCFTASA-N 0 0 178.168 2.596 10 0 AFAERN Cc1c(F)cnc2ccc(F)cc12 257887344 573843018 /nfs/dbraw/zinc/84/30/18/573843018.db2.gz MXFJRLOLVRUTCP-UHFFFAOYSA-N 0 0 179.169 2.821 10 0 AFAERN Cc1cccc(O)c1[C@H]1CCCC1=O 238537021 573843041 /nfs/dbraw/zinc/84/30/41/573843041.db2.gz HEXGMUCUVCVLBC-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN Cc1cccc(O)c1[C@@H]1CCC(=O)C1 238536214 573843085 /nfs/dbraw/zinc/84/30/85/573843085.db2.gz DUKVSBFOZGYGGE-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN CC(C)(C)C(C)(C)[C@@H](CC1CC1)NN 308760970 573843263 /nfs/dbraw/zinc/84/32/63/573843263.db2.gz YATCVCFDAUZEGQ-SNVBAGLBSA-N 0 0 198.354 2.691 10 0 AFAERN C/C=C(\CC)C(=O)OC/C=C\CC 308451742 573843094 /nfs/dbraw/zinc/84/30/94/573843094.db2.gz DRKRYLWBMRPLSS-GBLFQTLVSA-N 0 0 182.263 2.852 10 0 AFAERN CC[C@H]1CCC[C@H](CO)CC1 84348574 573843161 /nfs/dbraw/zinc/84/31/61/573843161.db2.gz PEPWANZCPNGUPU-UWVGGRQHSA-N 0 0 156.269 2.585 10 0 AFAERN Cc1ccc([C@H]2CCCC2=O)c(F)c1 238536230 573843175 /nfs/dbraw/zinc/84/31/75/573843175.db2.gz IMSHCQZRPZLRPN-SNVBAGLBSA-N 0 0 192.233 2.971 10 0 AFAERN C/C=C/CC[C@@H](O)C1CCCC1 127393917 573843189 /nfs/dbraw/zinc/84/31/89/573843189.db2.gz PMTSHBLKGIAVEU-KXMPLOMGSA-N 0 0 168.280 2.894 10 0 AFAERN C/C(=C/[C@H]1CCC[C@H](C)C1)[N+](=O)[O-] 84341600 573843203 /nfs/dbraw/zinc/84/32/03/573843203.db2.gz OIZDZLBLXFAEMA-ISSFJBMQSA-N 0 0 183.251 2.993 10 0 AFAERN Cc1nc(-c2ccsc2)oc1C=O 238537332 573843277 /nfs/dbraw/zinc/84/32/77/573843277.db2.gz OMQFCMLOWGXLJV-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1ccsc1-c1ccc(N)cn1 122876870 573843221 /nfs/dbraw/zinc/84/32/21/573843221.db2.gz JYIGPQBTCNDEIH-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN C[C@@H]1CCC[C@@H]([C@H](N)C(F)(F)F)C1 84346698 573843236 /nfs/dbraw/zinc/84/32/36/573843236.db2.gz HMTINLGWGAQDFS-PRJMDXOYSA-N 0 0 195.228 2.702 10 0 AFAERN Cc1ccc([C@H]2CCC(=O)C2)cc1O 238535630 573843246 /nfs/dbraw/zinc/84/32/46/573843246.db2.gz HAECEQWPCFVWIG-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN CCSCCC[C@@H]1CC[C@@H](O)C1 131350279 573843280 /nfs/dbraw/zinc/84/32/80/573843280.db2.gz DRDCJPZKLZTQDL-NXEZZACHSA-N 0 0 188.336 2.681 10 0 AFAERN O[C@H](CCc1ccco1)C1CCCC1 127398101 573843329 /nfs/dbraw/zinc/84/33/29/573843329.db2.gz WYGRYGJSRCHJST-GFCCVEGCSA-N 0 0 194.274 2.763 10 0 AFAERN Cc1ccc([C@H]2CCCC2=O)cc1O 238536792 573843380 /nfs/dbraw/zinc/84/33/80/573843380.db2.gz UMCYOTKCBNMEPJ-SNVBAGLBSA-N 0 0 190.242 2.537 10 0 AFAERN C[C@H]1CCC[C@@H](CNc2cn[nH]c2)C1 84340939 573843423 /nfs/dbraw/zinc/84/34/23/573843423.db2.gz XAHWJTRKWHPIMI-VHSXEESVSA-N 0 0 193.294 2.648 10 0 AFAERN C/C(=C/[C@@H]1CCC[C@H](C)C1)[N+](=O)[O-] 84341604 573843488 /nfs/dbraw/zinc/84/34/88/573843488.db2.gz OIZDZLBLXFAEMA-AGGJFOMBSA-N 0 0 183.251 2.993 10 0 AFAERN Cc1ccc2nc(N)cc(Cl)c2c1 238535770 573843503 /nfs/dbraw/zinc/84/35/03/573843503.db2.gz AZGWJGOVTQMQBC-UHFFFAOYSA-N 0 0 192.649 2.779 10 0 AFAERN CC1CCC([C@@H](N)C(F)(F)F)CC1 84339998 573843652 /nfs/dbraw/zinc/84/36/52/573843652.db2.gz PHEQKVZRHHXSDE-KAVNDROISA-N 0 0 195.228 2.702 10 0 AFAERN Cc1ccc([C@H]2CCCC2=O)c(O)c1 238536687 573843937 /nfs/dbraw/zinc/84/39/37/573843937.db2.gz CGEMGYCMXOHGEA-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN COc1ccc(N)c(CC2CCC2)c1 257887499 573843690 /nfs/dbraw/zinc/84/36/90/573843690.db2.gz WMMZFCMESFEQNL-UHFFFAOYSA-N 0 0 191.274 2.620 10 0 AFAERN CC(=O)[C@@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C 238160072 573843806 /nfs/dbraw/zinc/84/38/06/573843806.db2.gz ILLWTAHQGCZDOU-AXFHLTTASA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)(C)C(C)(C)[C@H](CC1CC1)NN 308760966 573843921 /nfs/dbraw/zinc/84/39/21/573843921.db2.gz YATCVCFDAUZEGQ-JTQLQIEISA-N 0 0 198.354 2.691 10 0 AFAERN Cc1cc(-c2nncs2)ccc1F 238537371 573843875 /nfs/dbraw/zinc/84/38/75/573843875.db2.gz HJSBAFVOMZSFFE-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN Cc1ccc(C(C)(C)CCO)s1 84345289 573843896 /nfs/dbraw/zinc/84/38/96/573843896.db2.gz RRXYVTVUOPARKN-UHFFFAOYSA-N 0 0 184.304 2.717 10 0 AFAERN CCC(CC)CCC(C)=O 84349358 573845581 /nfs/dbraw/zinc/84/55/81/573845581.db2.gz PUSNNUWKZGXMOB-UHFFFAOYSA-N 0 0 142.242 2.792 10 0 AFAERN Cc1cc(F)ccc1-c1nncs1 238537014 573845525 /nfs/dbraw/zinc/84/55/25/573845525.db2.gz CHJJURYWNMZYMI-UHFFFAOYSA-N 0 0 194.234 2.653 10 0 AFAERN COCCCCCC[C@H](O)C(C)C 131326492 573844712 /nfs/dbraw/zinc/84/47/12/573844712.db2.gz ATYMRBRGQPJDOX-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CC(=O)N[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C 238159353 573844816 /nfs/dbraw/zinc/84/48/16/573844816.db2.gz QRTCXASYEXWPJV-ZMLRMANQSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)[C@@H]1C[C@@](C)(C(N)=O)CC1(C)C 238160689 573844822 /nfs/dbraw/zinc/84/48/22/573844822.db2.gz RXYATYCAHKMSKG-JOYOIKCWSA-N 0 0 197.322 2.570 10 0 AFAERN CCOCc1coc2ccc(N)cc12 258159175 573844839 /nfs/dbraw/zinc/84/48/39/573844839.db2.gz XGNFOAPXZZHWGL-UHFFFAOYSA-N 0 0 191.230 2.552 10 0 AFAERN CC(C)(C)[C@@H]1CCC(=O)[C@@H]2C[C@@H]21 238160118 573844858 /nfs/dbraw/zinc/84/48/58/573844858.db2.gz APMYYMCAISJEDV-DJLDLDEBSA-N 0 0 166.264 2.648 10 0 AFAERN CSCCC[C@@H]1CCC[C@H](O)C1 131352385 573844862 /nfs/dbraw/zinc/84/48/62/573844862.db2.gz SDTMVMNWWNSEJA-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN CC(=O)[C@@H]1C(C)=Cc2ccccc21 238159832 573844869 /nfs/dbraw/zinc/84/48/69/573844869.db2.gz AIXFCOLEKGGDGG-LBPRGKRZSA-N 0 0 172.227 2.776 10 0 AFAERN CCSCCC[C@H]1CC[C@H](O)C1 131350079 573844885 /nfs/dbraw/zinc/84/48/85/573844885.db2.gz DRDCJPZKLZTQDL-UWVGGRQHSA-N 0 0 188.336 2.681 10 0 AFAERN Cc1oc(C)c2c1CCCC2 238537131 573845006 /nfs/dbraw/zinc/84/50/06/573845006.db2.gz UKVZHEGNBYKUKH-UHFFFAOYSA-N 0 0 150.221 2.775 10 0 AFAERN CSc1cc(C)c(C)cc1CNO 258160639 573845021 /nfs/dbraw/zinc/84/50/21/573845021.db2.gz VAACHOSVGXAHNV-UHFFFAOYSA-N 0 0 197.303 2.504 10 0 AFAERN Cc1nc(C(C)C)sc1[C@H]1CO1 238159963 573845049 /nfs/dbraw/zinc/84/50/49/573845049.db2.gz GKFRWMFCUHTLOK-SSDOTTSWSA-N 0 0 183.276 2.646 10 0 AFAERN CSCCC[C@@H]1CCC[C@@H](O)C1 131352861 573845081 /nfs/dbraw/zinc/84/50/81/573845081.db2.gz SDTMVMNWWNSEJA-VHSXEESVSA-N 0 0 188.336 2.681 10 0 AFAERN CC(=O)CCc1ccnc2ccccc12 84349360 573845110 /nfs/dbraw/zinc/84/51/10/573845110.db2.gz OEKZMGOYGAOVTR-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN CC(=O)CCc1ccc(C)c(F)c1 84349326 573845115 /nfs/dbraw/zinc/84/51/15/573845115.db2.gz QEPYPSXAZHUFSE-UHFFFAOYSA-N 0 0 180.222 2.656 10 0 AFAERN C[C@@H]1CCc2ccc(C(C)(C)O)cc21 258160701 573845120 /nfs/dbraw/zinc/84/51/20/573845120.db2.gz VBVHRQBNSXVVBJ-SECBINFHSA-N 0 0 190.286 2.964 10 0 AFAERN Cc1ccc([C@H]2CCCCC2=O)o1 238537070 573845166 /nfs/dbraw/zinc/84/51/66/573845166.db2.gz GMEVPTLMOKEQRZ-VIFPVBQESA-N 0 0 178.231 2.815 10 0 AFAERN OC1(c2cccc3c2CCCC3)CC1 258158070 573845177 /nfs/dbraw/zinc/84/51/77/573845177.db2.gz UVDOEEMWPICQQR-UHFFFAOYSA-N 0 0 188.270 2.547 10 0 AFAERN C1=C[C@@H](Nn2cccc2)CCCCC1 308453525 573845181 /nfs/dbraw/zinc/84/51/81/573845181.db2.gz IIWRUMJVALLZQG-GFCCVEGCSA-N 0 0 190.290 2.921 10 0 AFAERN CC[C@H](C)C[C@@H](NN)C1(C)CCCC1 131337090 573848155 /nfs/dbraw/zinc/84/81/55/573848155.db2.gz XXQITSFOIOGCGP-WDEREUQCSA-N 0 0 198.354 2.835 10 0 AFAERN COCCCCCC[C@@H](O)C(C)C 131326271 573845243 /nfs/dbraw/zinc/84/52/43/573845243.db2.gz ATYMRBRGQPJDOX-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CC(=O)[C@@H]1C=C(C)CC1(C)C 238159990 573845255 /nfs/dbraw/zinc/84/52/55/573845255.db2.gz YWOGDTMUFIXMSL-VIFPVBQESA-N 0 0 152.237 2.568 10 0 AFAERN Cc1ccc(C(C)(C)CCO)c(C)c1 84353386 573845269 /nfs/dbraw/zinc/84/52/69/573845269.db2.gz IRIRXNBCGRLNKI-UHFFFAOYSA-N 0 0 192.302 2.963 10 0 AFAERN Cc1cc(-c2csc(=S)[nH]2)no1 238535870 573845275 /nfs/dbraw/zinc/84/52/75/573845275.db2.gz CQIRIHKAGOPUCB-UHFFFAOYSA-N 0 0 198.272 2.769 10 0 AFAERN Cc1nc(-c2ccoc2)sc1C=O 238537259 573845296 /nfs/dbraw/zinc/84/52/96/573845296.db2.gz UFFYJULGNTYEIS-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN CC(=O)CCc1cccc2cccnc12 84349323 573845298 /nfs/dbraw/zinc/84/52/98/573845298.db2.gz RPCUGWLKAQGGPS-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN C[C@H](O)CCc1cc2ccccc2o1 84350779 573845338 /nfs/dbraw/zinc/84/53/38/573845338.db2.gz ARLHVDPDAHETBA-VIFPVBQESA-N 0 0 190.242 2.746 10 0 AFAERN CC[C@@H](C)C[C@@H](NN)C1(C)CCCC1 131336890 573845345 /nfs/dbraw/zinc/84/53/45/573845345.db2.gz XXQITSFOIOGCGP-GHMZBOCLSA-N 0 0 198.354 2.835 10 0 AFAERN C1=C[C@H](Nn2cccc2)CCCCC1 308453527 573845389 /nfs/dbraw/zinc/84/53/89/573845389.db2.gz IIWRUMJVALLZQG-LBPRGKRZSA-N 0 0 190.290 2.921 10 0 AFAERN CC(=O)CCc1ccc2ncccc2c1 84349387 573845426 /nfs/dbraw/zinc/84/54/26/573845426.db2.gz WDSWLWZLPYZSEJ-UHFFFAOYSA-N 0 0 199.253 2.756 10 0 AFAERN Cc1ccc([C@H]2CCCC(=O)C2)nc1 238536085 573845464 /nfs/dbraw/zinc/84/54/64/573845464.db2.gz ZOILUCNWMVDFIG-JTQLQIEISA-N 0 0 189.258 2.617 10 0 AFAERN Cc1nc(-c2cccs2)oc1C=O 238536723 573845503 /nfs/dbraw/zinc/84/55/03/573845503.db2.gz MFZSWOQLIUFGKM-UHFFFAOYSA-N 0 0 193.227 2.524 10 0 AFAERN Cc1nc(C(C)C)sc1[C@@H]1CO1 238159875 573845514 /nfs/dbraw/zinc/84/55/14/573845514.db2.gz GKFRWMFCUHTLOK-ZETCQYMHSA-N 0 0 183.276 2.646 10 0 AFAERN CSC[C@H](CO)C1CCCCC1 258150679 573845518 /nfs/dbraw/zinc/84/55/18/573845518.db2.gz HGZXFKSIQBTUSV-JTQLQIEISA-N 0 0 188.336 2.538 10 0 AFAERN CNSc1ccc(C)cc1C 259210117 573845597 /nfs/dbraw/zinc/84/55/97/573845597.db2.gz LKEBORSMJDEMJU-UHFFFAOYSA-N 0 0 167.277 2.530 10 0 AFAERN CC(C)c1cc(C[C@H](C)O)ccc1F 258160734 573845598 /nfs/dbraw/zinc/84/55/98/573845598.db2.gz VCUCMXXUJYSBED-VIFPVBQESA-N 0 0 196.265 2.872 10 0 AFAERN Cc1cccc(O)c1[C@H]1CCC(=O)C1 238536991 573845644 /nfs/dbraw/zinc/84/56/44/573845644.db2.gz DUKVSBFOZGYGGE-VIFPVBQESA-N 0 0 190.242 2.537 10 0 AFAERN COc1cc(C)ccc1C(=O)C(C)C 84352629 573848897 /nfs/dbraw/zinc/84/88/97/573848897.db2.gz GIVGQTLWUAYZLH-UHFFFAOYSA-N 0 0 192.258 2.842 10 0 AFAERN CCSCCC[C@@H]1CC[C@H](O)C1 131349859 573848681 /nfs/dbraw/zinc/84/86/81/573848681.db2.gz DRDCJPZKLZTQDL-ZJUUUORDSA-N 0 0 188.336 2.681 10 0 AFAERN Oc1ccc(F)c2c(Cl)nccc12 258159578 573847920 /nfs/dbraw/zinc/84/79/20/573847920.db2.gz SPRSLKHNRBQTRQ-UHFFFAOYSA-N 0 0 197.596 2.733 10 0 AFAERN Cl/C=C(/Cl)N1CCCCC1 238537757 573848091 /nfs/dbraw/zinc/84/80/91/573848091.db2.gz ODLQXCBFXYDULD-SREVYHEPSA-N 0 0 180.078 2.749 10 0 AFAERN CCSCc1ccc(O)cc1F 258158930 573848119 /nfs/dbraw/zinc/84/81/19/573848119.db2.gz QGYWAZFLROUOOR-UHFFFAOYSA-N 0 0 186.251 2.784 10 0 AFAERN Cc1cc(F)cnc1OC1CCCC1 238537743 573848156 /nfs/dbraw/zinc/84/81/56/573848156.db2.gz YAVZKIOYTFVDKZ-UHFFFAOYSA-N 0 0 195.237 2.851 10 0 AFAERN C=Cc1c(C)cc(C)c(N)c1C 238537619 573848178 /nfs/dbraw/zinc/84/81/78/573848178.db2.gz SJJKFBSQUYSGAZ-UHFFFAOYSA-N 0 0 161.248 2.837 10 0 AFAERN Cc1nc(F)c(F)cc1C(F)F 238537455 573848227 /nfs/dbraw/zinc/84/82/27/573848227.db2.gz YWPNFQKNJOQKKO-UHFFFAOYSA-N 0 0 179.116 2.606 10 0 AFAERN Cc1ccc(C)c(CC2(O)CCC2)c1 84350349 573848285 /nfs/dbraw/zinc/84/82/85/573848285.db2.gz GWLZKUKPOXFIAX-UHFFFAOYSA-N 0 0 190.286 2.761 10 0 AFAERN Cc1cccc2c1[nH]c1cc(C=O)[nH]c12 259209343 573848289 /nfs/dbraw/zinc/84/82/89/573848289.db2.gz JLMKJTQGHHQMNP-UHFFFAOYSA-N 0 0 198.225 2.770 10 0 AFAERN FC(F)[C@@H]1COCc2ccccc21 238537569 573848320 /nfs/dbraw/zinc/84/83/20/573848320.db2.gz RLOFXFJLSALUOH-SECBINFHSA-N 0 0 184.185 2.566 10 0 AFAERN CCCCOC(=O)C[C@@H](C)C1CC1 308452396 573848364 /nfs/dbraw/zinc/84/83/64/573848364.db2.gz DXKRRPQRXQYFKD-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)(C)[C@@H]1CC=C[C@H](CCO)C1 238151442 573848400 /nfs/dbraw/zinc/84/84/00/573848400.db2.gz BFVMKXWKAVVRHA-GHMZBOCLSA-N 0 0 182.307 2.997 10 0 AFAERN Cc1ccc(Cl)c(C[C@H](C)O)c1C 258160233 573848410 /nfs/dbraw/zinc/84/84/10/573848410.db2.gz PHNZKQDYZXZQRI-QMMMGPOBSA-N 0 0 198.693 2.880 10 0 AFAERN FC(F)[C@@H]1OCCc2ccccc21 238537671 573848416 /nfs/dbraw/zinc/84/84/16/573848416.db2.gz BJCKMYNRHHIMIG-SECBINFHSA-N 0 0 184.185 2.566 10 0 AFAERN Cc1cccc(-c2ccc(N)[nH]2)c1 258159361 573848418 /nfs/dbraw/zinc/84/84/18/573848418.db2.gz QLMFSSBXKZFCOH-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Cc1cc2c(oc3ccccc32)c(=O)[nH]1 238524883 573848453 /nfs/dbraw/zinc/84/84/53/573848453.db2.gz ONDMHHQDGAGJAN-UHFFFAOYSA-N 0 0 199.209 2.583 10 0 AFAERN Nc1cc(CC(F)(F)F)ccc1F 257888533 573848456 /nfs/dbraw/zinc/84/84/56/573848456.db2.gz WPSYQSBJZSNNKV-UHFFFAOYSA-N 0 0 193.143 2.513 10 0 AFAERN CC(=O)[C@@H]1CC23CCCC12CCC3 238161341 573848495 /nfs/dbraw/zinc/84/84/95/573848495.db2.gz AWOLTNUQOIVGBG-UNXYVOJBSA-N 0 0 178.275 2.936 10 0 AFAERN CCC[C@@H](O)CCCCCCOC 131324836 573848504 /nfs/dbraw/zinc/84/85/04/573848504.db2.gz AMZQCIORDWMDMN-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN Cc1cccc(CC2(O)CC2)c1Cl 258158064 573848793 /nfs/dbraw/zinc/84/87/93/573848793.db2.gz UUYRBAIKEVSHJK-UHFFFAOYSA-N 0 0 196.677 2.716 10 0 AFAERN COCNc1ccc2ccccc2c1 258971909 573848749 /nfs/dbraw/zinc/84/87/49/573848749.db2.gz BMOMBSCPLKQCRS-UHFFFAOYSA-N 0 0 187.242 2.856 10 0 AFAERN Cc1cc(C(C)C)cc(CNO)c1C 258160741 573848800 /nfs/dbraw/zinc/84/88/00/573848800.db2.gz VDDOEJHDJKHCIA-UHFFFAOYSA-N 0 0 193.290 2.906 10 0 AFAERN COCc1cc2c(O)cccc2s1 258159150 573848806 /nfs/dbraw/zinc/84/88/06/573848806.db2.gz XGEIANLDLHFXPV-UHFFFAOYSA-N 0 0 194.255 2.753 10 0 AFAERN CC1(C)CCC[C@H](CO)CC1 84348684 573848818 /nfs/dbraw/zinc/84/88/18/573848818.db2.gz LJQSOZNJDDDFJI-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN COc1cccc(-c2cocc2N)c1 258159237 573848909 /nfs/dbraw/zinc/84/89/09/573848909.db2.gz QKLKTRANEDOZIA-UHFFFAOYSA-N 0 0 189.214 2.537 10 0 AFAERN Cc1cc(C(C)(C)[C@@H](C)O)ccc1F 84359613 573850578 /nfs/dbraw/zinc/85/05/78/573850578.db2.gz OMGNJCGKINVFGU-SECBINFHSA-N 0 0 196.265 2.793 10 0 AFAERN CC(C)(C)[C@@H]1CCC=C[C@@]1(C)CO 238152358 573849775 /nfs/dbraw/zinc/84/97/75/573849775.db2.gz UIFSGGJWOSDBRX-JQWIXIFHSA-N 0 0 182.307 2.997 10 0 AFAERN COCCCCC(C)(C)C[C@H](C)O 131329223 573849789 /nfs/dbraw/zinc/84/97/89/573849789.db2.gz KIHFKOPRERQKRG-JTQLQIEISA-N 0 0 188.311 2.600 10 0 AFAERN Cl/C=C/c1cccnc1Cl 238539155 573849827 /nfs/dbraw/zinc/84/98/27/573849827.db2.gz KHGKIFHFNYFJOS-ONEGZZNKSA-N 0 0 174.030 2.945 10 0 AFAERN CCOC(=O)[C@@H]1[C@H](CC)C12CCCC2 259574685 573849830 /nfs/dbraw/zinc/84/98/30/573849830.db2.gz JPANRZOCQGPCRF-UWVGGRQHSA-N 0 0 196.290 2.766 10 0 AFAERN CCC/C=C\CO[C@@H]1CCCC[C@@H]1O 308452072 573849937 /nfs/dbraw/zinc/84/99/37/573849937.db2.gz SAFVINBQXDKJSG-PRTUSXBOSA-N 0 0 198.306 2.663 10 0 AFAERN CCCCC[C@H](O)[C@@H](C)/C=C\OC 393565550 573849980 /nfs/dbraw/zinc/84/99/80/573849980.db2.gz KAHSNKPPMMZQNK-QGNYPYLESA-N 0 0 186.295 2.724 10 0 AFAERN Cc1cncc(C(F)F)c1C 238539825 573850069 /nfs/dbraw/zinc/85/00/69/573850069.db2.gz HDMXIVMKBCKJKR-UHFFFAOYSA-N 0 0 157.163 2.636 10 0 AFAERN Cc1coc2ccc([C@H](C)CO)cc12 258155343 573850096 /nfs/dbraw/zinc/85/00/96/573850096.db2.gz ULNIHNIDEAHJHU-MRVPVSSYSA-N 0 0 190.242 2.837 10 0 AFAERN Cc1cncc(Cl)c1C(F)F 238541665 573850104 /nfs/dbraw/zinc/85/01/04/573850104.db2.gz NGMOHZYYKOAJBJ-UHFFFAOYSA-N 0 0 177.581 2.981 10 0 AFAERN Cc1cc2c(cc1C)[C@@H](O)C(C)(C)C2 238541560 573850121 /nfs/dbraw/zinc/85/01/21/573850121.db2.gz VLNCOXTVTHGUCT-GFCCVEGCSA-N 0 0 190.286 2.919 10 0 AFAERN C=C/C=C(/C)CCC 79515485 573850142 /nfs/dbraw/zinc/85/01/42/573850142.db2.gz AHWGKLXMXHPYBI-VURMDHGXSA-N 0 0 110.200 2.919 10 0 AFAERN CCOC(=O)[C@H]1[C@H](CC)C12CCCC2 259574689 573850194 /nfs/dbraw/zinc/85/01/94/573850194.db2.gz JPANRZOCQGPCRF-VHSXEESVSA-N 0 0 196.290 2.766 10 0 AFAERN CCOCc1ccc(Cl)cc1O 258161896 573850214 /nfs/dbraw/zinc/85/02/14/573850214.db2.gz QMLNNVBVOSBLDU-UHFFFAOYSA-N 0 0 186.638 2.582 10 0 AFAERN Cc1cccc2c([C@H](C)O)cn(C)c12 258153801 573850226 /nfs/dbraw/zinc/85/02/26/573850226.db2.gz LIUMBVHGACFOCS-VIFPVBQESA-N 0 0 189.258 2.540 10 0 AFAERN Cc1coc2ccc(CCCO)cc12 258163126 573850244 /nfs/dbraw/zinc/85/02/44/573850244.db2.gz VGJFBSQYVORWJR-UHFFFAOYSA-N 0 0 190.242 2.666 10 0 AFAERN Cc1cc2c(cc1C)[C@H](O)C(C)(C)C2 238541537 573850313 /nfs/dbraw/zinc/85/03/13/573850313.db2.gz VLNCOXTVTHGUCT-LBPRGKRZSA-N 0 0 190.286 2.919 10 0 AFAERN CCSCCC[C@@H](C)C[C@@H](C)O 131366779 573850392 /nfs/dbraw/zinc/85/03/92/573850392.db2.gz YHRAGVPEWXQTCB-NXEZZACHSA-N 0 0 190.352 2.927 10 0 AFAERN C[C@@H]1CNc2cccc(Cl)c2N1 87260500 573850400 /nfs/dbraw/zinc/85/04/00/573850400.db2.gz BKFOZULHDCTARN-ZCFIWIBFSA-N 0 0 182.654 2.566 10 0 AFAERN CC(C)[C@@H]1CC[C@](C)(F)[C@@H](O)C1 238152775 573850438 /nfs/dbraw/zinc/85/04/38/573850438.db2.gz AFOYTOCCIYBFJB-UTLUCORTSA-N 0 0 174.259 2.532 10 0 AFAERN Cc1cc(C(C)(C)CCO)ccc1F 84359608 573850495 /nfs/dbraw/zinc/85/04/95/573850495.db2.gz MLCQVKXTYOCSLR-UHFFFAOYSA-N 0 0 196.265 2.794 10 0 AFAERN N=C(Cl)Nc1ccccc1Cl 238541564 573850527 /nfs/dbraw/zinc/85/05/27/573850527.db2.gz OJEPTTGJCXHEOH-UHFFFAOYSA-N 0 0 189.045 2.925 10 0 AFAERN C/C=C\CCNC(=O)[C@H](C)CCCC 308454200 573852536 /nfs/dbraw/zinc/85/25/36/573852536.db2.gz INBJWXWAFLTOKN-VLWUPBBWSA-N 0 0 197.322 2.895 10 0 AFAERN Cc1cccc2c([C@@H](C)O)cn(C)c12 258153789 573851410 /nfs/dbraw/zinc/85/14/10/573851410.db2.gz LIUMBVHGACFOCS-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN C=Cc1coc2ccc(C)cc2c1=O 238539751 573851424 /nfs/dbraw/zinc/85/14/24/573851424.db2.gz UZXPXYKOSRVQAC-UHFFFAOYSA-N 0 0 186.210 2.744 10 0 AFAERN Cc1cc(F)c2c(c1)C(=O)C(C)(C)C2 238540106 573851436 /nfs/dbraw/zinc/85/14/36/573851436.db2.gz PPTYHJHKHBNIJQ-UHFFFAOYSA-N 0 0 192.233 2.899 10 0 AFAERN Cc1cc2c(c(O)c1C)CCCC2=O 238539782 573851467 /nfs/dbraw/zinc/85/14/67/573851467.db2.gz KGOLQFRBYAPFHJ-UHFFFAOYSA-N 0 0 190.242 2.528 10 0 AFAERN CC(C)CCCc1cc[nH]c1 238151815 573851549 /nfs/dbraw/zinc/85/15/49/573851549.db2.gz KVVNBMIKCBLBBA-UHFFFAOYSA-N 0 0 151.253 2.993 10 0 AFAERN Cc1ccccc1-c1cn(C)cc1N 258161906 573851619 /nfs/dbraw/zinc/85/16/19/573851619.db2.gz QMMOLCYRXMDXNP-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN Cc1ccc([C@H](O)CC(C)C)c(O)c1 238153351 573851731 /nfs/dbraw/zinc/85/17/31/573851731.db2.gz JULPSFBYCKNITM-LLVKDONJSA-N 0 0 194.274 2.780 10 0 AFAERN CC1CCC(O)(Cc2ccoc2)CC1 84355773 573851756 /nfs/dbraw/zinc/85/17/56/573851756.db2.gz PSHVKPBNJSSLRV-UHFFFAOYSA-N 0 0 194.274 2.763 10 0 AFAERN Cc1cc(C)c(N)c(Cl)c1C 238541712 573851812 /nfs/dbraw/zinc/85/18/12/573851812.db2.gz UIDCAHWCTXYTSB-UHFFFAOYSA-N 0 0 169.655 2.847 10 0 AFAERN CCOC(=O)[C@@H]1[C@@H](CC)C12CCCC2 259574692 573851822 /nfs/dbraw/zinc/85/18/22/573851822.db2.gz JPANRZOCQGPCRF-ZJUUUORDSA-N 0 0 196.290 2.766 10 0 AFAERN Cc1ccc2c(c1)NC[C@H](C(C)C)N2 87260697 573851884 /nfs/dbraw/zinc/85/18/84/573851884.db2.gz QOGZSNDPDPQLOV-GFCCVEGCSA-N 0 0 190.290 2.857 10 0 AFAERN Cc1cc(F)nc2c(F)cccc12 238539277 573851917 /nfs/dbraw/zinc/85/19/17/573851917.db2.gz HCRZYKOEAWVNRE-UHFFFAOYSA-N 0 0 179.169 2.821 10 0 AFAERN Cc1cc(N)cc(NCCCCF)c1 308454892 573851931 /nfs/dbraw/zinc/85/19/31/573851931.db2.gz BJJOLORTMHOZOF-UHFFFAOYSA-N 0 0 196.269 2.739 10 0 AFAERN CSCCCCC[C@H](O)C1CC1 131360802 573851933 /nfs/dbraw/zinc/85/19/33/573851933.db2.gz BCDXNIRHVCYRPK-JTQLQIEISA-N 0 0 188.336 2.681 10 0 AFAERN O=C(c1cscn1)C1CCCCC1 84358403 573851943 /nfs/dbraw/zinc/85/19/43/573851943.db2.gz WKSDXZARJYWOKH-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN Cc1nccc2cc([C@H](C)O)ccc12 258163113 573851965 /nfs/dbraw/zinc/85/19/65/573851965.db2.gz VGAUCURDXOTPGR-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN Cc1cn(C)c2cc([C@@H](C)O)ccc12 258155046 573852006 /nfs/dbraw/zinc/85/20/06/573852006.db2.gz RFAIYTPZCJPTEJ-SECBINFHSA-N 0 0 189.258 2.540 10 0 AFAERN O=C(c1cccc(F)c1F)C1CCC1 84359037 573852089 /nfs/dbraw/zinc/85/20/89/573852089.db2.gz PZSFXMRYMPNCIL-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN C/C=C(/C)CC/C=C(/C)CO 101226158 573852097 /nfs/dbraw/zinc/85/20/97/573852097.db2.gz YBMZLRMHVXVHJG-APXACOEDSA-N 0 0 154.253 2.671 10 0 AFAERN C/C=C/c1cccc(CC)c1N 101246216 573852193 /nfs/dbraw/zinc/85/21/93/573852193.db2.gz LIOKHALDRGUVMI-ZZXKWVIFSA-N 0 0 161.248 2.864 10 0 AFAERN O=C(c1cncs1)C1CCCCC1 84358397 573852304 /nfs/dbraw/zinc/85/23/04/573852304.db2.gz GKPJVLOPXQAWLA-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN Cc1ccc2cnc(Cl)cc2n1 238530788 573852418 /nfs/dbraw/zinc/85/24/18/573852418.db2.gz KOVRCWYFYBYWLI-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN C[C@]12CC(=O)C[C@H]1C[C@@H]1CCC[C@@H]12 238539452 573852435 /nfs/dbraw/zinc/85/24/35/573852435.db2.gz IRZCGSYROYYXJH-QCMRWSPLSA-N 0 0 178.275 2.792 10 0 AFAERN CCn1cc(C)nc1CSC(C)C 257888909 573852457 /nfs/dbraw/zinc/85/24/57/573852457.db2.gz LUXTVYQGJXHVRQ-UHFFFAOYSA-N 0 0 198.335 2.853 10 0 AFAERN CCc1cccc(CC)c1C[C@H](C)O 258155373 573852607 /nfs/dbraw/zinc/85/26/07/573852607.db2.gz UMEHGDQOHSDIBY-JTQLQIEISA-N 0 0 192.302 2.735 10 0 AFAERN CC(C)=C[C@@H]1Cc2ccccc2N1 238166685 573853792 /nfs/dbraw/zinc/85/37/92/573853792.db2.gz PJCQPPPQAPXRMP-LLVKDONJSA-N 0 0 173.259 2.989 10 0 AFAERN CC(C)(C)[C@]1(C)C(=O)[C@H]2CC=C[C@@H]21 238166621 573853428 /nfs/dbraw/zinc/85/34/28/573853428.db2.gz RRKGXMOVRLHKMK-AUTRQRHGSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)[C@@H]1CC[C@]2(C)C=C[C@@]12CO 238153616 573853448 /nfs/dbraw/zinc/85/34/48/573853448.db2.gz CEUYAPFWNJBFEM-QJPTWQEYSA-N 0 0 180.291 2.607 10 0 AFAERN CSCCCCC[C@H](O)C(C)C 131360142 573853471 /nfs/dbraw/zinc/85/34/71/573853471.db2.gz QHAVJAHVUZTVOU-JTQLQIEISA-N 0 0 190.352 2.927 10 0 AFAERN CC(=O)[C@@H]1CC[C@@H]1C(C)(C)C 238166156 573854400 /nfs/dbraw/zinc/85/44/00/573854400.db2.gz RYGUKPSYKPQGKZ-IUCAKERBSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)[C@@H]1CC[C@H]2C[C@@H]1C2(C)C 238167020 573853564 /nfs/dbraw/zinc/85/35/64/573853564.db2.gz HHCJPBOHNATHFF-GUBZILKMSA-N 0 0 166.264 2.648 10 0 AFAERN CC/C=C/C(=O)O[C@H](C)C1CCC1 308454474 573853654 /nfs/dbraw/zinc/85/36/54/573853654.db2.gz FOXCIRHWHATPKY-VGANXODHSA-N 0 0 182.263 2.684 10 0 AFAERN CC(C)[C@@H]1CC[C@]2(C)CC(=O)[C@@H]12 238153642 573853700 /nfs/dbraw/zinc/85/37/00/573853700.db2.gz CNNHSBHJLDBHMF-JMJZKYOTSA-N 0 0 166.264 2.648 10 0 AFAERN CSCCCCC[C@@H](O)C(C)C 131359948 573853782 /nfs/dbraw/zinc/85/37/82/573853782.db2.gz QHAVJAHVUZTVOU-SNVBAGLBSA-N 0 0 190.352 2.927 10 0 AFAERN Cc1cc(F)c2[nH]cc(C)c2c1 238541697 573853807 /nfs/dbraw/zinc/85/38/07/573853807.db2.gz DUULJXPBHGRIAV-UHFFFAOYSA-N 0 0 163.195 2.924 10 0 AFAERN CC1(C)C[C@]1(CO)C1CCCC1 259021689 573853866 /nfs/dbraw/zinc/85/38/66/573853866.db2.gz PUELFIQVLAGMHU-NSHDSACASA-N 0 0 168.280 2.585 10 0 AFAERN CCC[C@@H](C)CO[C@H]1CC(=O)C1(C)C 233279088 573853980 /nfs/dbraw/zinc/85/39/80/573853980.db2.gz YRTXGKXXWNIALB-KOLCDFICSA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)(C)[C@@]12CCC[C@]1(C)C2=O 238166403 573854006 /nfs/dbraw/zinc/85/40/06/573854006.db2.gz UFKVVDWFSMUZLW-MNOVXSKESA-N 0 0 166.264 2.792 10 0 AFAERN O=Cc1scc2ccccc12 101240186 573854114 /nfs/dbraw/zinc/85/41/14/573854114.db2.gz QLBMREGNYGIIOQ-UHFFFAOYSA-N 0 0 162.213 2.714 10 0 AFAERN CCc1cccc(CC)c1C[C@@H](C)O 258155376 573854164 /nfs/dbraw/zinc/85/41/64/573854164.db2.gz UMEHGDQOHSDIBY-SNVBAGLBSA-N 0 0 192.302 2.735 10 0 AFAERN CCSCCCC[C@@H](C)CO 131364137 573854166 /nfs/dbraw/zinc/85/41/66/573854166.db2.gz KTMIDFPLSYAFQL-SECBINFHSA-N 0 0 176.325 2.538 10 0 AFAERN CC(=O)c1ccc2cc(C)ncc2c1 258155460 573854263 /nfs/dbraw/zinc/85/42/63/573854263.db2.gz UNWXTVRAZCYAAC-UHFFFAOYSA-N 0 0 185.226 2.746 10 0 AFAERN CC(C)[C@@H]1CNc2cc(F)ccc2N1 87260678 573854343 /nfs/dbraw/zinc/85/43/43/573854343.db2.gz ANBMHGREPDIISZ-NSHDSACASA-N 0 0 194.253 2.688 10 0 AFAERN C[C@]12CCC[C@@H]3[C@H](C(=O)CC1)[C@@]32C 238542967 573854396 /nfs/dbraw/zinc/85/43/96/573854396.db2.gz HVVAZZOCPKCWQR-KXGXSXBTSA-N 0 0 178.275 2.792 10 0 AFAERN Cc1cc2c(cc1O)CCCCC2 238542361 573854454 /nfs/dbraw/zinc/85/44/54/573854454.db2.gz DKQJYNHXEGKEQX-UHFFFAOYSA-N 0 0 176.259 2.970 10 0 AFAERN OCC1(c2cccs2)CCCCC1 84359966 573856065 /nfs/dbraw/zinc/85/60/65/573856065.db2.gz PDMIQMSAZQDNGB-UHFFFAOYSA-N 0 0 196.315 2.942 10 0 AFAERN CC(=O)CC(F)(F)C1CCCC1 257890350 573856077 /nfs/dbraw/zinc/85/60/77/573856077.db2.gz NHYBDTCRLGTFSW-UHFFFAOYSA-N 0 0 176.206 2.791 10 0 AFAERN C[C@H](O)c1coc2cc(F)ccc12 257890116 573856245 /nfs/dbraw/zinc/85/62/45/573856245.db2.gz LBZYSBNUIGVVJY-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN C[C@]12CCCC[C@]13C[C@@H]3C(=O)CC2 238542509 573855277 /nfs/dbraw/zinc/85/52/77/573855277.db2.gz IASIBJLZOAFJLQ-YUSALJHKSA-N 0 0 178.275 2.936 10 0 AFAERN Cc1c(O)cccc1[C@@H]1CCC(=O)C1 238542781 573855369 /nfs/dbraw/zinc/85/53/69/573855369.db2.gz XQDLECKCIKMTLY-SECBINFHSA-N 0 0 190.242 2.537 10 0 AFAERN Cc1cccc2c1SC[C@H](C)N2 259212295 573855389 /nfs/dbraw/zinc/85/53/89/573855389.db2.gz LHVKFRMEVBRBDV-QMMMGPOBSA-N 0 0 179.288 2.901 10 0 AFAERN CC(C)=C[C@@H]1[C@H](CCO)C1(C)C 238166461 573855437 /nfs/dbraw/zinc/85/54/37/573855437.db2.gz SABGKWRHQUIPIR-VHSXEESVSA-N 0 0 168.280 2.607 10 0 AFAERN CC(C)(C)n1[nH]c(=O)cc1C1CCC1 257888616 573855501 /nfs/dbraw/zinc/85/55/01/573855501.db2.gz WRMVSJFBYWEFBH-UHFFFAOYSA-N 0 0 194.278 2.611 10 0 AFAERN Clc1cccc(C2CCOCC2)n1 238542117 573855538 /nfs/dbraw/zinc/85/55/38/573855538.db2.gz SRONKYNQNMKVKY-UHFFFAOYSA-N 0 0 197.665 2.629 10 0 AFAERN OC1(Cc2ccoc2)CCCCCC1 84355761 573855547 /nfs/dbraw/zinc/85/55/47/573855547.db2.gz LKQQEWJKLAGITM-UHFFFAOYSA-N 0 0 194.274 2.907 10 0 AFAERN Cc1cc2c(c(C)c1N)CCCC2 238542490 573855558 /nfs/dbraw/zinc/85/55/58/573855558.db2.gz UZPUEGABEWSABO-UHFFFAOYSA-N 0 0 175.275 2.764 10 0 AFAERN O=C(c1c(F)cccc1F)C1CCC1 84359040 573855569 /nfs/dbraw/zinc/85/55/69/573855569.db2.gz AYMCDVRBYWWKLJ-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN CC[C@H](O)CCC(C)(C)CC 101227820 573855619 /nfs/dbraw/zinc/85/56/19/573855619.db2.gz XJWDLWAVRQTIIG-VIFPVBQESA-N 0 0 158.285 2.974 10 0 AFAERN CC(=O)[C@@H]1CC[C@@H]1c1ccccc1 238166194 573855655 /nfs/dbraw/zinc/85/56/55/573855655.db2.gz WQNMMZDHUKCFHT-NWDGAFQWSA-N 0 0 174.243 2.769 10 0 AFAERN CC(C)OCC[C@H]1CCCCCC1=O 43650163 573855682 /nfs/dbraw/zinc/85/56/82/573855682.db2.gz GXTBXNLXYBHAGX-LLVKDONJSA-N 0 0 198.306 2.951 10 0 AFAERN CC(C)[C@H]1CNc2cc(F)ccc2N1 87260684 573855724 /nfs/dbraw/zinc/85/57/24/573855724.db2.gz ANBMHGREPDIISZ-LLVKDONJSA-N 0 0 194.253 2.688 10 0 AFAERN C[C@H](CO)c1cccc(C(C)(C)F)c1 258155515 573855738 /nfs/dbraw/zinc/85/57/38/573855738.db2.gz UPRFZQVOOFWMFS-SECBINFHSA-N 0 0 196.265 2.987 10 0 AFAERN Cc1nc(Cl)ccc1OC(C)C 238154184 573855778 /nfs/dbraw/zinc/85/57/78/573855778.db2.gz HXORMWVEBQFHQF-UHFFFAOYSA-N 0 0 185.654 2.831 10 0 AFAERN CC(C)(C)[C@@]12C=C[C@H]1CCC2=O 238166206 573856987 /nfs/dbraw/zinc/85/69/87/573856987.db2.gz GLGFEEKMUGJOLO-KCJUWKMLSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cc(F)c2cnsc2c1 238542354 573855950 /nfs/dbraw/zinc/85/59/50/573855950.db2.gz FNRPGXLFDBLGIX-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN CC(=O)[C@@H]1CC[C@H]1c1ccccc1 238166940 573855996 /nfs/dbraw/zinc/85/59/96/573855996.db2.gz WQNMMZDHUKCFHT-RYUDHWBXSA-N 0 0 174.243 2.769 10 0 AFAERN CC[C@@H](O)CCCC(C)(C)C 43657871 573856177 /nfs/dbraw/zinc/85/61/77/573856177.db2.gz VURCUILRFGRWBW-SECBINFHSA-N 0 0 158.285 2.974 10 0 AFAERN CCCCC[C@H](CC)[C@@H](C)O 43656937 573856164 /nfs/dbraw/zinc/85/61/64/573856164.db2.gz SZUHCUOLGQSBTP-ZJUUUORDSA-N 0 0 158.285 2.974 10 0 AFAERN Cc1cc(C2(O)CC2)cc(F)c1CF 258155486 573856999 /nfs/dbraw/zinc/85/69/99/573856999.db2.gz UONXCXKHISEPPA-UHFFFAOYSA-N 0 0 198.212 2.585 10 0 AFAERN CC(C)[C@H](O)CCc1ccccc1F 43657908 573857934 /nfs/dbraw/zinc/85/79/34/573857934.db2.gz NQFKJKPQRABOEF-GFCCVEGCSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)[C@H]1C[C@@H](C)n2c(CO)ccc21 238168272 573857982 /nfs/dbraw/zinc/85/79/82/573857982.db2.gz VBUXXPQOTVFGRD-MWLCHTKSSA-N 0 0 193.290 2.685 10 0 AFAERN CC(C)OCC[C@H]1C[C@@H](C)CCC1=O 43652279 573857940 /nfs/dbraw/zinc/85/79/40/573857940.db2.gz SKBWBXQKYDAUSO-QWRGUYRKSA-N 0 0 198.306 2.807 10 0 AFAERN CC1(C)CCNc2ccc(F)cc2N1 87261777 573857945 /nfs/dbraw/zinc/85/79/45/573857945.db2.gz DWSFJIXUODIEHI-UHFFFAOYSA-N 0 0 194.253 2.832 10 0 AFAERN CC[C@@H]1CNc2cc(Cl)ccc2N1 87261173 573859455 /nfs/dbraw/zinc/85/94/55/573859455.db2.gz ZJXNIBUGBQGKAN-MRVPVSSYSA-N 0 0 196.681 2.956 10 0 AFAERN c1ccc2c(c1)NCCC1(CCC1)N2 87262750 573857775 /nfs/dbraw/zinc/85/77/75/573857775.db2.gz CZMUQFNVWALRPP-UHFFFAOYSA-N 0 0 188.274 2.837 10 0 AFAERN CC(C)=C[C@H](O)c1cccnc1Cl 238169708 573857780 /nfs/dbraw/zinc/85/77/80/573857780.db2.gz XZENGORTJZFMDB-VIFPVBQESA-N 0 0 197.665 2.735 10 0 AFAERN CC(=O)c1cc2c(C)coc2c(C)n1 238169091 573857787 /nfs/dbraw/zinc/85/77/87/573857787.db2.gz JXTZKPORDABRGO-UHFFFAOYSA-N 0 0 189.214 2.647 10 0 AFAERN CC[C@H](Cc1cccs1)[C@H](C)O 43657009 573857814 /nfs/dbraw/zinc/85/78/14/573857814.db2.gz TYMPZUBDRGKGGT-DTWKUNHWSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@H](Cc1ccc(C)cc1)[C@H](C)O 43657091 573857828 /nfs/dbraw/zinc/85/78/28/573857828.db2.gz MYESIUYCSCIODI-WCQYABFASA-N 0 0 192.302 2.945 10 0 AFAERN c1ccc2oc(-c3cc[nH]c3)nc2c1 101268770 573857867 /nfs/dbraw/zinc/85/78/67/573857867.db2.gz AYNGNPKMAZACIL-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]2C(C)(C)C=C[C@@]12C 238168865 573857884 /nfs/dbraw/zinc/85/78/84/573857884.db2.gz OVINWBQVIRTUFM-UMNHJUIQSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)[C@H](O)CCC1CCCC1 43658038 573857991 /nfs/dbraw/zinc/85/79/91/573857991.db2.gz HYCJTRAAYABCMH-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN C=Cc1ccc(OC(F)F)cc1 101302673 573859462 /nfs/dbraw/zinc/85/94/62/573859462.db2.gz VBKQJEPISNHHQG-UHFFFAOYSA-N 0 0 170.158 2.931 10 0 AFAERN CCN1CCCNc2cc(C)ccc21 87262034 573859449 /nfs/dbraw/zinc/85/94/49/573859449.db2.gz MADIBSPGMYXPJZ-UHFFFAOYSA-N 0 0 190.290 2.637 10 0 AFAERN CC[C@@H](Cc1ccsc1)[C@H](C)O 43657153 573859483 /nfs/dbraw/zinc/85/94/83/573859483.db2.gz AONHKKIHGSHNPR-WPRPVWTQSA-N 0 0 184.304 2.698 10 0 AFAERN CC[C@H]1CNc2cc(C)ccc2N1 87261176 573859496 /nfs/dbraw/zinc/85/94/96/573859496.db2.gz RFGXNUAIAVGAFU-VIFPVBQESA-N 0 0 176.263 2.611 10 0 AFAERN CC[C@@H](CCC(C)C)[C@H](C)O 43656930 573859394 /nfs/dbraw/zinc/85/93/94/573859394.db2.gz NTTSQOLDGRPMPG-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)OCC[C@@H]1C[C@@H](C)CCC1=O 43652275 573859433 /nfs/dbraw/zinc/85/94/33/573859433.db2.gz SKBWBXQKYDAUSO-WDEREUQCSA-N 0 0 198.306 2.807 10 0 AFAERN Cc1cc(F)c(C(C)C)cc1CNO 258155496 573859499 /nfs/dbraw/zinc/85/94/99/573859499.db2.gz UOSNGZNWQUNIFN-UHFFFAOYSA-N 0 0 197.253 2.736 10 0 AFAERN C/C=C(C)/C=C\C(=O)OCCCC 308456858 573859504 /nfs/dbraw/zinc/85/95/04/573859504.db2.gz GEEAMJNDDJCUHK-GBLFQTLVSA-N 0 0 182.263 2.852 10 0 AFAERN CCCC(CCC)n1nc(C)cc1N 43664604 573859528 /nfs/dbraw/zinc/85/95/28/573859528.db2.gz GCBYUMOJWDPCHF-UHFFFAOYSA-N 0 0 195.310 2.915 10 0 AFAERN CC[C@H](Cc1ccccc1C)[C@@H](C)O 43657101 573859550 /nfs/dbraw/zinc/85/95/50/573859550.db2.gz KONYXYJREAGHBX-VXGBXAGGSA-N 0 0 192.302 2.945 10 0 AFAERN Clc1ccc2c(c1)NCC1(CC1)N2 87261339 573859559 /nfs/dbraw/zinc/85/95/59/573859559.db2.gz YOORMMNONSKGDV-UHFFFAOYSA-N 0 0 194.665 2.710 10 0 AFAERN CC(C)(C)[C@@H](CO)c1cccc(O)c1 258155702 573859562 /nfs/dbraw/zinc/85/95/62/573859562.db2.gz SLBPMRMUWDAVHT-NSHDSACASA-N 0 0 194.274 2.514 10 0 AFAERN CCc1ccc(CC[C@H](C)O)s1 43656729 573859563 /nfs/dbraw/zinc/85/95/63/573859563.db2.gz CKFPQVGCCPIJQO-QMMMGPOBSA-N 0 0 184.304 2.624 10 0 AFAERN O=C1CCC[C@H]1c1ccnc(Cl)c1 238547890 573859568 /nfs/dbraw/zinc/85/95/68/573859568.db2.gz FMVUJGUEEWUOSI-QMMMGPOBSA-N 0 0 195.649 2.572 10 0 AFAERN C[C@H]1CCNc2cccc(Cl)c2N1 87261228 573859618 /nfs/dbraw/zinc/85/96/18/573859618.db2.gz VYXJNMYHKLBFJH-ZETCQYMHSA-N 0 0 196.681 2.956 10 0 AFAERN CCC(CC)C(=O)c1ccco1 43606605 573859630 /nfs/dbraw/zinc/85/96/30/573859630.db2.gz JENJAOLMMVIEEG-UHFFFAOYSA-N 0 0 166.220 2.899 10 0 AFAERN CC[C@H](Cc1ccc(F)cc1)[C@H](C)O 43657095 573859681 /nfs/dbraw/zinc/85/96/81/573859681.db2.gz KGQCTKBOOBLCID-GXSJLCMTSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)[C@@H](O)CCc1ccc(F)cc1 43657985 573859688 /nfs/dbraw/zinc/85/96/88/573859688.db2.gz PBQSKENILBLASP-LBPRGKRZSA-N 0 0 196.265 2.775 10 0 AFAERN C[C@H]1CNc2cccc(Cl)c2NC1 87261498 573859726 /nfs/dbraw/zinc/85/97/26/573859726.db2.gz OKJLRZFGFOLKOH-ZETCQYMHSA-N 0 0 196.681 2.814 10 0 AFAERN CC[C@H](CC1CCCC1)[C@@H](C)O 43657199 573859730 /nfs/dbraw/zinc/85/97/30/573859730.db2.gz ZQQNWYILJPBNCK-MWLCHTKSSA-N 0 0 170.296 2.974 10 0 AFAERN CC1(C)CNc2cccc(Cl)c2N1 87261545 573859755 /nfs/dbraw/zinc/85/97/55/573859755.db2.gz YRLMSFORUKZEJN-UHFFFAOYSA-N 0 0 196.681 2.956 10 0 AFAERN CC[C@@H]1CC[C@@](O)(C(C)(C)C)C1 84375298 573859759 /nfs/dbraw/zinc/85/97/59/573859759.db2.gz LOTGHXFDTMIWBZ-KOLCDFICSA-N 0 0 170.296 2.974 10 0 AFAERN CC1CCC(CC(=O)CCCO)CC1 308456480 573859760 /nfs/dbraw/zinc/85/97/60/573859760.db2.gz BUBVRFRUMNOHDL-UHFFFAOYSA-N 0 0 198.306 2.544 10 0 AFAERN CC[C@@H](Cc1ccc(C)cc1)[C@@H](C)O 43657088 573859768 /nfs/dbraw/zinc/85/97/68/573859768.db2.gz MYESIUYCSCIODI-YPMHNXCESA-N 0 0 192.302 2.945 10 0 AFAERN O=C1C[C@H]2CCC[C@H]2c2occc21 197061849 573859770 /nfs/dbraw/zinc/85/97/70/573859770.db2.gz JNYOORAKVHMWJC-HTQZYQBOSA-N 0 0 176.215 2.750 10 0 AFAERN C[C@H]1C[C@H](C)CC(O)(C2CC2)C1 84375318 573859777 /nfs/dbraw/zinc/85/97/77/573859777.db2.gz RRLWZENGPILZMT-IUCAKERBSA-N 0 0 168.280 2.584 10 0 AFAERN CC(=O)[C@@H]1C[C@@]1(C)[C@@H]1CC1(C)C 238169493 573859781 /nfs/dbraw/zinc/85/97/81/573859781.db2.gz VNFLCOZMTOMYSW-IQJOONFLSA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@H]1CCCC[C@]1(O)C1CC1 84375275 573859787 /nfs/dbraw/zinc/85/97/87/573859787.db2.gz XPJNAEOVMQVWOI-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C1CC1)CN2 87262414 573860025 /nfs/dbraw/zinc/86/00/25/573860025.db2.gz ATGUNOOYCZMSRR-LBPRGKRZSA-N 0 0 188.274 2.611 10 0 AFAERN CC[C@@H]1CNc2cccc(F)c2NC1 87262464 573859864 /nfs/dbraw/zinc/85/98/64/573859864.db2.gz KJJNESKQNXOTJA-MRVPVSSYSA-N 0 0 194.253 2.689 10 0 AFAERN Cc1c(Cl)c(C(F)F)c[nH]c1=O 238547029 573859899 /nfs/dbraw/zinc/85/98/99/573859899.db2.gz VVSJRGLQRKRTCH-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN CC[C@H](O)CCCOc1ccccc1 43657846 573859912 /nfs/dbraw/zinc/85/99/12/573859912.db2.gz BWNRMRMDWBTGLF-NSHDSACASA-N 0 0 194.274 2.617 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C(C)C)CN2 87260719 573859939 /nfs/dbraw/zinc/85/99/39/573859939.db2.gz ZWZPFGIWPWGNKB-GFCCVEGCSA-N 0 0 190.290 2.857 10 0 AFAERN CC[C@@H](C)C[NH2+]N1[C@@H](C)CCC[C@H]1C 214456816 573859940 /nfs/dbraw/zinc/85/99/40/573859940.db2.gz NGLCEEKKHLRAMM-UTUOFQBUSA-N 0 0 198.354 2.800 10 0 AFAERN CC[C@H](Cc1cccc(F)c1)[C@@H](C)O 43657085 573859959 /nfs/dbraw/zinc/85/99/59/573859959.db2.gz YYOINXWKBQAMTQ-MWLCHTKSSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)c1cc(Cl)cc(CON)c1 258157303 573859964 /nfs/dbraw/zinc/85/99/64/573859964.db2.gz PEJNMJHXJAYXEU-UHFFFAOYSA-N 0 0 199.681 2.854 10 0 AFAERN CC(=O)c1cc2cc(F)c(F)cc2o1 238169528 573859979 /nfs/dbraw/zinc/85/99/79/573859979.db2.gz VUXUSBVTXSNJGG-UHFFFAOYSA-N 0 0 196.152 2.914 10 0 AFAERN CCC[C@H]1C[C@@H](CC)CC[C@@H]1O 43660774 573860114 /nfs/dbraw/zinc/86/01/14/573860114.db2.gz APCJGJRKDIPDKO-DCAQKATOSA-N 0 0 170.296 2.974 10 0 AFAERN CC(C)[C@@H]1CNc2c(F)cccc2N1 87260720 573860132 /nfs/dbraw/zinc/86/01/32/573860132.db2.gz MWOABXMAVLRLGK-JTQLQIEISA-N 0 0 194.253 2.688 10 0 AFAERN CC[C@H]1CNc2ccc(F)cc2NC1 87262445 573860136 /nfs/dbraw/zinc/86/01/36/573860136.db2.gz DYMFGRUTXJRPEW-QMMMGPOBSA-N 0 0 194.253 2.689 10 0 AFAERN CCC[C@@H]1CNc2cc(F)ccc2N1 87261429 573860171 /nfs/dbraw/zinc/86/01/71/573860171.db2.gz YYJWMFUWKMZKSN-SECBINFHSA-N 0 0 194.253 2.832 10 0 AFAERN CC(C)[C@@H](O)CCc1ccccc1F 43657909 573860182 /nfs/dbraw/zinc/86/01/82/573860182.db2.gz NQFKJKPQRABOEF-LBPRGKRZSA-N 0 0 196.265 2.775 10 0 AFAERN CC(C)[C@@H](O)CCc1cccc(F)c1 43657977 573860197 /nfs/dbraw/zinc/86/01/97/573860197.db2.gz HIKWMZCQWQNRFE-LBPRGKRZSA-N 0 0 196.265 2.775 10 0 AFAERN C[C@H]1CCC[C@]1(O)C(C)(C)C 84375373 573860223 /nfs/dbraw/zinc/86/02/23/573860223.db2.gz VMZCTBCYXJUEFT-WCBMZHEXSA-N 0 0 156.269 2.584 10 0 AFAERN Cc1cccc(CC[C@@H](O)C(C)C)c1 43657989 573860249 /nfs/dbraw/zinc/86/02/49/573860249.db2.gz MZWKCZPHPONNTG-CYBMUJFWSA-N 0 0 192.302 2.945 10 0 AFAERN C[C@@H]1CCC[C@@]1(O)C(C)(C)C 84375374 573860251 /nfs/dbraw/zinc/86/02/51/573860251.db2.gz VMZCTBCYXJUEFT-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@H](Cc1ccsc1)[C@@H](C)O 43657152 573860256 /nfs/dbraw/zinc/86/02/56/573860256.db2.gz AONHKKIHGSHNPR-PSASIEDQSA-N 0 0 184.304 2.698 10 0 AFAERN CCc1ccc(CC[C@@H](C)O)s1 43656728 573860263 /nfs/dbraw/zinc/86/02/63/573860263.db2.gz CKFPQVGCCPIJQO-MRVPVSSYSA-N 0 0 184.304 2.624 10 0 AFAERN CC[C@H]1CCC(=O)[C@@H](CCCOC)C1 43653646 573860302 /nfs/dbraw/zinc/86/03/02/573860302.db2.gz FMVORHDGGBXJEC-QWRGUYRKSA-N 0 0 198.306 2.808 10 0 AFAERN c1ccc2c(-c3ccno3)c[nH]c2c1 101268804 573860318 /nfs/dbraw/zinc/86/03/18/573860318.db2.gz OHDGSWOSHLECMD-UHFFFAOYSA-N 0 0 184.198 2.823 10 0 AFAERN Cc1c(C(F)F)cc(Cl)[nH]c1=O 238546304 573860346 /nfs/dbraw/zinc/86/03/46/573860346.db2.gz DLFGZELTYQTHQN-UHFFFAOYSA-N 0 0 193.580 2.687 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C1CC1)CN2 87262415 573860371 /nfs/dbraw/zinc/86/03/71/573860371.db2.gz ATGUNOOYCZMSRR-GFCCVEGCSA-N 0 0 188.274 2.611 10 0 AFAERN CCN1C[C@@H](C)CNc2ccccc21 87262218 573860383 /nfs/dbraw/zinc/86/03/83/573860383.db2.gz QTNDBPBNWKRFTI-JTQLQIEISA-N 0 0 190.290 2.575 10 0 AFAERN Cc1ccc2c(c1)NC[C@@H](C1CC1)N2 87262403 573860389 /nfs/dbraw/zinc/86/03/89/573860389.db2.gz DKBPDGBOQAKKKO-LBPRGKRZSA-N 0 0 188.274 2.611 10 0 AFAERN C[C@@H]1CC[C@@](O)(C2CC2)[C@H](C)C1 84375342 573860392 /nfs/dbraw/zinc/86/03/92/573860392.db2.gz LZRUSQQTBFPZDF-KKZNHRDASA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1CCNc2ccc(F)c(F)c2N1 87261252 573860419 /nfs/dbraw/zinc/86/04/19/573860419.db2.gz RMWBTBFODUJUNN-LURJTMIESA-N 0 0 198.216 2.581 10 0 AFAERN CC[C@@H]1CNc2ccc(F)cc2NC1 87262444 573860461 /nfs/dbraw/zinc/86/04/61/573860461.db2.gz DYMFGRUTXJRPEW-MRVPVSSYSA-N 0 0 194.253 2.689 10 0 AFAERN C[C@@H]1CNc2ccc(Cl)cc2NC1 87261485 573860481 /nfs/dbraw/zinc/86/04/81/573860481.db2.gz AUMSJJDYGNKZRI-SSDOTTSWSA-N 0 0 196.681 2.814 10 0 AFAERN CCC[C@H]1CNc2cc(F)ccc2N1 87261430 573860513 /nfs/dbraw/zinc/86/05/13/573860513.db2.gz YYJWMFUWKMZKSN-VIFPVBQESA-N 0 0 194.253 2.832 10 0 AFAERN CCSCCC[C@@H](C)C[C@H](C)O 131367162 573860518 /nfs/dbraw/zinc/86/05/18/573860518.db2.gz YHRAGVPEWXQTCB-ZJUUUORDSA-N 0 0 190.352 2.927 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]2CC[C@@]1(C)C=C2C 238169042 573860527 /nfs/dbraw/zinc/86/05/27/573860527.db2.gz WTHWHSPXJGGHOI-SRVKXCTJSA-N 0 0 178.275 2.958 10 0 AFAERN Cc1ccc2c(c1)NCC(C)(C)N2 87261541 573860572 /nfs/dbraw/zinc/86/05/72/573860572.db2.gz UPNAHMSZHLKAGK-UHFFFAOYSA-N 0 0 176.263 2.611 10 0 AFAERN CC(C)c1cc(O)cc([C@@H](C)CO)c1 258155541 573860577 /nfs/dbraw/zinc/86/05/77/573860577.db2.gz UQCHUAMXRZZQJL-VIFPVBQESA-N 0 0 194.274 2.611 10 0 AFAERN C[C@@H]1CC[C@](O)(C(C)(C)C)C1 84375288 573860579 /nfs/dbraw/zinc/86/05/79/573860579.db2.gz FEPZVPUYPYUDIO-PSASIEDQSA-N 0 0 156.269 2.584 10 0 AFAERN Fc1c(C(F)F)cnc(Cl)c1F 238547868 573860596 /nfs/dbraw/zinc/86/05/96/573860596.db2.gz KYTAFNRBGOZERE-UHFFFAOYSA-N 0 0 199.534 2.951 10 0 AFAERN CC(C)=C[C@]1(C)C(=O)[C@H]2C=CC[C@@H]21 238168311 573860601 /nfs/dbraw/zinc/86/06/01/573860601.db2.gz WQTJCVCEPIHJTF-NHCYSSNCSA-N 0 0 176.259 2.734 10 0 AFAERN Cc1ccc2c(c1)NC(C)(C)CN2 87261546 573860637 /nfs/dbraw/zinc/86/06/37/573860637.db2.gz HSUMRZXBJHBUES-UHFFFAOYSA-N 0 0 176.263 2.611 10 0 AFAERN CSCCC[C@@H]1CC[C@H](O)[C@@H]1C 131372658 573860709 /nfs/dbraw/zinc/86/07/09/573860709.db2.gz OBMQOVIWPGEXSY-BBBLOLIVSA-N 0 0 188.336 2.537 10 0 AFAERN CC(C)=C[C@@]12CCC[C@H]1CCC(=O)O2 238168091 573860711 /nfs/dbraw/zinc/86/07/11/573860711.db2.gz VTLKBAPZTARNCC-JQWIXIFHSA-N 0 0 194.274 2.829 10 0 AFAERN Cc1cccc(C(CO)=C2CC2)c1 238546212 573860712 /nfs/dbraw/zinc/86/07/12/573860712.db2.gz ZBGDYERFMUTVJB-UHFFFAOYSA-N 0 0 174.243 2.535 10 0 AFAERN CC(C)=CCC[C@H](C)[C@H]1CO[C@H](O)C1 308458293 573860733 /nfs/dbraw/zinc/86/07/33/573860733.db2.gz YJSPOKDQFMYTTJ-TUAOUCFPSA-N 0 0 198.306 2.724 10 0 AFAERN CC[C@H]1CC[C@](O)(C(C)(C)C)C1 84375297 573860765 /nfs/dbraw/zinc/86/07/65/573860765.db2.gz LOTGHXFDTMIWBZ-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN CC[C@H]1CNc2cc(Cl)ccc2N1 87261174 573860766 /nfs/dbraw/zinc/86/07/66/573860766.db2.gz ZJXNIBUGBQGKAN-QMMMGPOBSA-N 0 0 196.681 2.956 10 0 AFAERN C[C@@H]1CC[C@@](O)(C(C)(C)C)C1 84375290 573860780 /nfs/dbraw/zinc/86/07/80/573860780.db2.gz FEPZVPUYPYUDIO-SCZZXKLOSA-N 0 0 156.269 2.584 10 0 AFAERN CC(=O)[C@@H]1C[C@]2(C)CCC[C@@]12C 238171894 573863414 /nfs/dbraw/zinc/86/34/14/573863414.db2.gz OXIXTEFNNYHMCA-DCAQKATOSA-N 0 0 166.264 2.792 10 0 AFAERN O[C@@]1(C2CC2)CCC[C@@H](C2CC2)C1 84375311 573863423 /nfs/dbraw/zinc/86/34/23/573863423.db2.gz FVDLEROZWDBDFA-PWSUYJOCSA-N 0 0 180.291 2.728 10 0 AFAERN Oc1ccccc1OCCCCCF 308458188 573863438 /nfs/dbraw/zinc/86/34/38/573863438.db2.gz FIWNEGNLQHWULE-UHFFFAOYSA-N 0 0 198.237 2.911 10 0 AFAERN O=C1CCC[C@H]1c1cccc(Cl)n1 238547162 573862431 /nfs/dbraw/zinc/86/24/31/573862431.db2.gz WHPLZLJAHKHFAZ-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN Cc1c(Cl)n(C)c2ccc(O)cc12 257891132 573862439 /nfs/dbraw/zinc/86/24/39/573862439.db2.gz GTCYFHQDRNBTBF-UHFFFAOYSA-N 0 0 195.649 2.846 10 0 AFAERN CC1(C)C=C1[C@@H](O)C1CCCCC1 238171204 573862494 /nfs/dbraw/zinc/86/24/94/573862494.db2.gz PRJCNJIWMYDUMR-NSHDSACASA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@H](C)C(=O)c1ccc(Cl)cn1 87285675 573862499 /nfs/dbraw/zinc/86/24/99/573862499.db2.gz RITOMRRKTOFDBB-ZETCQYMHSA-N 0 0 197.665 2.964 10 0 AFAERN CCn1[nH]c(=O)cc1C1CCCCC1 257890889 573862540 /nfs/dbraw/zinc/86/25/40/573862540.db2.gz XCRKSSYMTQKGJQ-UHFFFAOYSA-N 0 0 194.278 2.656 10 0 AFAERN C[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1O 43661379 573862562 /nfs/dbraw/zinc/86/25/62/573862562.db2.gz JTRSYMMHJPNRJA-DRZSPHRISA-N 0 0 190.286 2.951 10 0 AFAERN C[C@H]1CCC[C@@](O)(C2CC2)CC1 84375403 573862602 /nfs/dbraw/zinc/86/26/02/573862602.db2.gz CYOALGLRPNRHBI-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CCCc1cc(C)ccc1N 101445945 573864140 /nfs/dbraw/zinc/86/41/40/573864140.db2.gz UBBOEIASFDHXRE-UHFFFAOYSA-N 0 0 149.237 2.530 10 0 AFAERN CC(=O)[C@@H]1C[C@H]2C(C)(C)C=C[C@]21C 238170564 573862663 /nfs/dbraw/zinc/86/26/63/573862663.db2.gz OVINWBQVIRTUFM-NHCYSSNCSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)C[C@@]1(C)[C@H](CO)C12C=CC=C2 238171343 573862689 /nfs/dbraw/zinc/86/26/89/573862689.db2.gz AZJBYMMXLHDUNJ-RYUDHWBXSA-N 0 0 192.302 2.773 10 0 AFAERN CC(C)=C[C@H]1[C@@H](CCO)C1(C)C 238171282 573862709 /nfs/dbraw/zinc/86/27/09/573862709.db2.gz SABGKWRHQUIPIR-ZJUUUORDSA-N 0 0 168.280 2.607 10 0 AFAERN CC1(C)CCC(O)(C2CC2)CC1 84375279 573862715 /nfs/dbraw/zinc/86/27/15/573862715.db2.gz HOGCEWQCPOAOBM-UHFFFAOYSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)(C)OCOc1ccccc1F 308457820 573862764 /nfs/dbraw/zinc/86/27/64/573862764.db2.gz DNCNEQUSDJVTMX-UHFFFAOYSA-N 0 0 198.237 2.977 10 0 AFAERN CC1(C)CCC[C@](O)(C2CC2)C1 84375286 573862822 /nfs/dbraw/zinc/86/28/22/573862822.db2.gz PSCWVMFLKHXGJH-LLVKDONJSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1CCC[C@](O)(C2CC2)[C@@H]1C 84375332 573862853 /nfs/dbraw/zinc/86/28/53/573862853.db2.gz FSFJUTBKHKACLZ-FXPVBKGRSA-N 0 0 168.280 2.584 10 0 AFAERN CC1(C)C[C@@]1(CO)C1CCCCC1 259036046 573864108 /nfs/dbraw/zinc/86/41/08/573864108.db2.gz SBRIOMPBKBIKLE-GFCCVEGCSA-N 0 0 182.307 2.975 10 0 AFAERN CC(C)=C[C@H]1C(=O)CC1(C)C 238169763 573862886 /nfs/dbraw/zinc/86/28/86/573862886.db2.gz YVSXGJRXXCBROE-QMMMGPOBSA-N 0 0 152.237 2.568 10 0 AFAERN C[C@@H]1CCC[C@@](O)(C2CC2)CC1 84375402 573862888 /nfs/dbraw/zinc/86/28/88/573862888.db2.gz CYOALGLRPNRHBI-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN CCC[C@H](O)c1cscc1C 87288139 573862894 /nfs/dbraw/zinc/86/28/94/573862894.db2.gz XVSIQHPAQDOMLH-VIFPVBQESA-N 0 0 170.277 2.890 10 0 AFAERN CC(C)(C)C(=O)c1ccc(Cl)cn1 87285643 573862944 /nfs/dbraw/zinc/86/29/44/573862944.db2.gz CMFSFLAKOSODEZ-UHFFFAOYSA-N 0 0 197.665 2.964 10 0 AFAERN CC(=O)[C@@H]1C[C@]23CCCC[C@]12C3 238172046 573862951 /nfs/dbraw/zinc/86/29/51/573862951.db2.gz KHUQXYSACOUYKH-DCAQKATOSA-N 0 0 164.248 2.546 10 0 AFAERN C[C@H]1CC[C@@H](C)C[C@@]1(O)C1CC1 84375348 573862967 /nfs/dbraw/zinc/86/29/67/573862967.db2.gz PAVLXVDBGMLAEM-YWVKMMECSA-N 0 0 168.280 2.584 10 0 AFAERN C[C@H]1CCC[C@@]1(O)C(C)(C)C 84375375 573863004 /nfs/dbraw/zinc/86/30/04/573863004.db2.gz VMZCTBCYXJUEFT-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN C[C@@H]1C[C@@H](C)CC(O)(C2CC2)C1 84375319 573863029 /nfs/dbraw/zinc/86/30/29/573863029.db2.gz RRLWZENGPILZMT-RKDXNWHRSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@H]1CC[C@@](O)(C(C)(C)C)C1 84375299 573863038 /nfs/dbraw/zinc/86/30/38/573863038.db2.gz LOTGHXFDTMIWBZ-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN C=CC(=O)N(C)C1CCC(C)(C)CC1 87287332 573863062 /nfs/dbraw/zinc/86/30/62/573863062.db2.gz GEHIJPJEMUQKTI-UHFFFAOYSA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)=C[C@H]1C=C(C)CC[C@H]1CO 238169894 573863101 /nfs/dbraw/zinc/86/31/01/573863101.db2.gz PBZZEKXAPQBTMN-RYUDHWBXSA-N 0 0 180.291 2.917 10 0 AFAERN CC[C@H]1CCC[C@@](O)(C2CC2)C1 84375269 573863176 /nfs/dbraw/zinc/86/31/76/573863176.db2.gz LNRDAPWUHGSFDT-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1c(O)ccc2ccc(F)cc12 258165477 573863256 /nfs/dbraw/zinc/86/32/56/573863256.db2.gz MACKSQUOYCISBR-UHFFFAOYSA-N 0 0 176.190 2.993 10 0 AFAERN CC[C@@H]1CCC[C@@](O)(C2CC2)C1 84375268 573863285 /nfs/dbraw/zinc/86/32/85/573863285.db2.gz LNRDAPWUHGSFDT-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN Clc1nccc2ccnc(Cl)c12 257890989 573864144 /nfs/dbraw/zinc/86/41/44/573864144.db2.gz UINFBJDKRHNANM-UHFFFAOYSA-N 0 0 199.040 2.937 10 0 AFAERN CON(CC[C@@H](C)F)CC(C)(C)C 308457681 573863466 /nfs/dbraw/zinc/86/34/66/573863466.db2.gz GMGWROOGVWWKPK-SECBINFHSA-N 0 0 191.290 2.644 10 0 AFAERN Cc1ccc(-c2ccno2)cc1F 87285367 573863493 /nfs/dbraw/zinc/86/34/93/573863493.db2.gz DTVZWNIKQJOWJD-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN C[C@@H]1CC[C@@H](C)[C@](O)(C2CC2)C1 84375350 573863542 /nfs/dbraw/zinc/86/35/42/573863542.db2.gz PAVLXVDBGMLAEM-KKZNHRDASA-N 0 0 168.280 2.584 10 0 AFAERN CC(=O)[C@@H](C)c1ccc(C)c(F)c1 87285390 573863572 /nfs/dbraw/zinc/86/35/72/573863572.db2.gz SGIDCRCWXCOVLK-MRVPVSSYSA-N 0 0 180.222 2.827 10 0 AFAERN C[C@@H]1CCC[C@](O)(C2CC2)CC1 84375400 573863584 /nfs/dbraw/zinc/86/35/84/573863584.db2.gz CYOALGLRPNRHBI-MWLCHTKSSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H]1CC[C@](O)(C2CC2)[C@H](C)C1 84375340 573863619 /nfs/dbraw/zinc/86/36/19/573863619.db2.gz LZRUSQQTBFPZDF-FXPVBKGRSA-N 0 0 168.280 2.584 10 0 AFAERN CC1(C)C=C1[C@@H](O)c1ccccc1 238171274 573863628 /nfs/dbraw/zinc/86/36/28/573863628.db2.gz DGMIWZLUJZMUJR-NSHDSACASA-N 0 0 174.243 2.686 10 0 AFAERN CC(=O)[C@@H]1C[C@H]2CC[C@@H]1C=C2C 238171249 573863634 /nfs/dbraw/zinc/86/36/34/573863634.db2.gz ABBKBZQHSSEENB-MXWKQRLJSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1nc(N)c(Cl)cc1C(F)F 238547403 573863700 /nfs/dbraw/zinc/86/37/00/573863700.db2.gz TWJBJPCMGBZQPW-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN O[C@@]1(C2CC2)CCC[C@H](C2CC2)C1 84375310 573863712 /nfs/dbraw/zinc/86/37/12/573863712.db2.gz FVDLEROZWDBDFA-JQWIXIFHSA-N 0 0 180.291 2.728 10 0 AFAERN CC[C@H](C)[C@@H](O)c1ccc(Cl)cn1 87285876 573863764 /nfs/dbraw/zinc/86/37/64/573863764.db2.gz YCHBEEQIRCQJRY-OIBJUYFYSA-N 0 0 199.681 2.815 10 0 AFAERN C[C@H]1CC[C@@](O)(C(C)(C)C)C1 84375291 573863767 /nfs/dbraw/zinc/86/37/67/573863767.db2.gz FEPZVPUYPYUDIO-WPRPVWTQSA-N 0 0 156.269 2.584 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ccc(Cl)cn1 87285873 573863791 /nfs/dbraw/zinc/86/37/91/573863791.db2.gz YCHBEEQIRCQJRY-XCBNKYQSSA-N 0 0 199.681 2.815 10 0 AFAERN C/C=C\CNc1cc(OC)ccc1C 308458005 573863793 /nfs/dbraw/zinc/86/37/93/573863793.db2.gz NDLQSLYPXICAOZ-PLNGDYQASA-N 0 0 191.274 2.992 10 0 AFAERN CC1(C)C=C1[C@H](O)c1ccccc1 238171380 573863882 /nfs/dbraw/zinc/86/38/82/573863882.db2.gz DGMIWZLUJZMUJR-LLVKDONJSA-N 0 0 174.243 2.686 10 0 AFAERN CC(C)[C@H]1C[C@](C)(C(N)=O)CC1(C)C 238171849 573863902 /nfs/dbraw/zinc/86/39/02/573863902.db2.gz RXYATYCAHKMSKG-SKDRFNHKSA-N 0 0 197.322 2.570 10 0 AFAERN CC1=C[C@@H]2CC(=O)[C@H]1C[C@@H]2C(C)C 238171392 573863936 /nfs/dbraw/zinc/86/39/36/573863936.db2.gz WGQVKVSLVXUQMO-MXWKQRLJSA-N 0 0 178.275 2.814 10 0 AFAERN Cc1ccc(-c2cn(C)cc2N)cc1 258164700 573863943 /nfs/dbraw/zinc/86/39/43/573863943.db2.gz RAZLVJCTDOUBKW-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN CC(C)C[C@@]1(C)[C@@H](CO)C12C=CC=C2 238171317 573864131 /nfs/dbraw/zinc/86/41/31/573864131.db2.gz AZJBYMMXLHDUNJ-NEPJUHHUSA-N 0 0 192.302 2.773 10 0 AFAERN CC1(C)C=C1[C@H](O)C1CCCC1 238171315 573863994 /nfs/dbraw/zinc/86/39/94/573863994.db2.gz PBRVJBOAGQBGIP-SNVBAGLBSA-N 0 0 166.264 2.504 10 0 AFAERN CC1(C)C=C1[C@H](O)C1CCCCC1 238171340 573864040 /nfs/dbraw/zinc/86/40/40/573864040.db2.gz PRJCNJIWMYDUMR-LLVKDONJSA-N 0 0 180.291 2.894 10 0 AFAERN Cc1cccc2[nH]c3cnc(N)cc3c12 258165529 573864059 /nfs/dbraw/zinc/86/40/59/573864059.db2.gz TZZSANLHHNLTDI-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN CC[C@H](C)[C@H](O)c1ccc(Cl)cn1 87285874 573867525 /nfs/dbraw/zinc/86/75/25/573867525.db2.gz YCHBEEQIRCQJRY-XVKPBYJWSA-N 0 0 199.681 2.815 10 0 AFAERN CC(=O)[C@@H](C)c1cc(F)cc(F)c1 87283445 573867568 /nfs/dbraw/zinc/86/75/68/573867568.db2.gz UQYKSJCMKCOWPM-ZCFIWIBFSA-N 0 0 184.185 2.657 10 0 AFAERN CC[C@@H]1CC(=O)Nc2cc(F)ccc21 257889674 573867455 /nfs/dbraw/zinc/86/74/55/573867455.db2.gz WWUMGDBRQOALJQ-SSDOTTSWSA-N 0 0 193.221 2.662 10 0 AFAERN Cc1coc(C)c2ccc(N)c1-2 238548979 573868489 /nfs/dbraw/zinc/86/84/89/573868489.db2.gz CJEVSHGQUPPYEL-UHFFFAOYSA-N 0 0 161.204 2.583 10 0 AFAERN CC(=O)[C@H]1CC[C@@]1(C)C=C(C)C 238172446 573868519 /nfs/dbraw/zinc/86/85/19/573868519.db2.gz RONDNAVXBPXJQM-MNOVXSKESA-N 0 0 166.264 2.958 10 0 AFAERN Fc1cc(Cl)ncc1C(F)F 238548955 573868541 /nfs/dbraw/zinc/86/85/41/573868541.db2.gz KTDRBNXVPPMQHJ-UHFFFAOYSA-N 0 0 181.544 2.812 10 0 AFAERN CC(=O)[C@@H]1CCC2=C1CCCC2 238162345 573868981 /nfs/dbraw/zinc/86/89/81/573868981.db2.gz HXEUIOFOFNNPJC-JTQLQIEISA-N 0 0 164.248 2.856 10 0 AFAERN C=Cc1nc(-c2cscc2C)no1 87287752 573867470 /nfs/dbraw/zinc/86/74/70/573867470.db2.gz CHPYQHNSBBKFPX-UHFFFAOYSA-N 0 0 192.243 2.750 10 0 AFAERN Cc1ccc2c(c1)C(=O)[C@@H](C)SC2 125317585 573867453 /nfs/dbraw/zinc/86/74/53/573867453.db2.gz GPVRHFAZEJLELS-MRVPVSSYSA-N 0 0 192.283 2.813 10 0 AFAERN O=C1CCC[C@@H]1c1ccnc(Cl)c1 238549960 573870833 /nfs/dbraw/zinc/87/08/33/573870833.db2.gz FMVUJGUEEWUOSI-MRVPVSSYSA-N 0 0 195.649 2.572 10 0 AFAERN CC(=O)[C@@H]1CC=C(C)[C@@H]2C=CC[C@@H]21 238161563 573867901 /nfs/dbraw/zinc/86/79/01/573867901.db2.gz YESWOEYFHACUAL-SRVKXCTJSA-N 0 0 176.259 2.734 10 0 AFAERN O=c1oc2ccc(Cl)cc2s1 238540376 573867929 /nfs/dbraw/zinc/86/79/29/573867929.db2.gz JGTXISUXUSUTPA-UHFFFAOYSA-N 0 0 186.619 2.508 10 0 AFAERN Cc1cc(F)c2c(c1)[C@H](CCO)CC2 238540334 573867952 /nfs/dbraw/zinc/86/79/52/573867952.db2.gz KOGMKXHNLCXZDK-VIFPVBQESA-N 0 0 194.249 2.546 10 0 AFAERN CCSCCCOc1cccnc1 131449876 573870842 /nfs/dbraw/zinc/87/08/42/573870842.db2.gz AUUNEZKQSBXNDD-UHFFFAOYSA-N 0 0 197.303 2.604 10 0 AFAERN Cc1cc(O)cc(C)c1NC(C)C 238162494 573867990 /nfs/dbraw/zinc/86/79/90/573867990.db2.gz LCOHQDCBVRJQQP-UHFFFAOYSA-N 0 0 179.263 2.829 10 0 AFAERN O=C1CSCc2c(Cl)cccc21 125310178 573867995 /nfs/dbraw/zinc/86/79/95/573867995.db2.gz BWDUWXYNDPEABG-UHFFFAOYSA-N 0 0 198.674 2.770 10 0 AFAERN O=C1CC[C@H](c2cccc(Cl)n2)C1 238548307 573868048 /nfs/dbraw/zinc/86/80/48/573868048.db2.gz FAHYMKAEYXPEBM-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN CC(C)=C[C@@H](O)C(C)=C(C)C 238162492 573868108 /nfs/dbraw/zinc/86/81/08/573868108.db2.gz LNWHUGFAHNGPDT-SNVBAGLBSA-N 0 0 154.253 2.670 10 0 AFAERN CCC[C@@H](C)[C@@H](NN)c1coc(C)c1 233280909 573868126 /nfs/dbraw/zinc/86/81/26/573868126.db2.gz CBPKUYFLACMLNW-LDYMZIIASA-N 0 0 196.294 2.529 10 0 AFAERN Cc1ccc(C(=O)CC(F)F)cc1 238548549 573868129 /nfs/dbraw/zinc/86/81/29/573868129.db2.gz MNOUZOMACAXKJX-UHFFFAOYSA-N 0 0 184.185 2.833 10 0 AFAERN Cc1cc(C)c(F)c(C(F)F)n1 238540864 573868171 /nfs/dbraw/zinc/86/81/71/573868171.db2.gz XDYIBZOFSCOZQP-UHFFFAOYSA-N 0 0 175.153 2.775 10 0 AFAERN Cc1cscc1[C@H](O)C(C)C 87288141 573868268 /nfs/dbraw/zinc/86/82/68/573868268.db2.gz BEAKDWIJLSXVHQ-SECBINFHSA-N 0 0 170.277 2.746 10 0 AFAERN O=C1CCC[C@@H]1c1cccc(Cl)n1 238548497 573868281 /nfs/dbraw/zinc/86/82/81/573868281.db2.gz WHPLZLJAHKHFAZ-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN CCNc1nc(-c2ccoc2)cs1 87290536 573868324 /nfs/dbraw/zinc/86/83/24/573868324.db2.gz GDKOUVXRBJDIAR-UHFFFAOYSA-N 0 0 194.259 2.835 10 0 AFAERN Cc1cc(C)c(Cl)c(N)c1C 238540498 573868435 /nfs/dbraw/zinc/86/84/35/573868435.db2.gz NGWSSYVNVBBESL-UHFFFAOYSA-N 0 0 169.655 2.847 10 0 AFAERN CC(C)c1nc(-c2ccccn2)c[nH]1 238163130 573868693 /nfs/dbraw/zinc/86/86/93/573868693.db2.gz BHTFOUQWRDFDDC-UHFFFAOYSA-N 0 0 187.246 2.595 10 0 AFAERN CC(=O)[C@@H]1CCCCC=C1C 238163082 573868766 /nfs/dbraw/zinc/86/87/66/573868766.db2.gz HGHGFJXPHXKSTN-SNVBAGLBSA-N 0 0 152.237 2.712 10 0 AFAERN Cc1ccc2[nH]c(CO)c(Cl)c2c1 258165371 573868815 /nfs/dbraw/zinc/86/88/15/573868815.db2.gz TWRGNLLVODMEOY-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN C1=CCCC/C=C/C1 101452501 573869017 /nfs/dbraw/zinc/86/90/17/573869017.db2.gz DNZZPKYSGRTNGK-UAKNUOFUSA-N 0 0 108.184 2.673 10 0 AFAERN CC(C)=C[C@]1(C)CCC(=O)C1 238172368 573869028 /nfs/dbraw/zinc/86/90/28/573869028.db2.gz HYXAPRBQTHKELH-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN CC(=O)[C@]12CC[C@H](C(C)C)[C@H]1C2 238161512 573869098 /nfs/dbraw/zinc/86/90/98/573869098.db2.gz QUYBDLQBSSKNHT-GMTAPVOTSA-N 0 0 166.264 2.648 10 0 AFAERN CCC[C@@H](C)Oc1ccc(C)nc1N 233281040 573869100 /nfs/dbraw/zinc/86/91/00/573869100.db2.gz HBHXFWZTHLVCPR-SECBINFHSA-N 0 0 194.278 2.540 10 0 AFAERN Fc1ccc(-c2nc(Cl)c[nH]2)cc1 258439601 573869233 /nfs/dbraw/zinc/86/92/33/573869233.db2.gz FCWLXZSARQPWLT-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN C[C@H](Nc1cccnc1)c1ccoc1 87289394 573869241 /nfs/dbraw/zinc/86/92/41/573869241.db2.gz SLIBYBRLBSKRSD-VIFPVBQESA-N 0 0 188.230 2.848 10 0 AFAERN Cc1nn(C(C)(C)C)cc1OC(C)C 238162291 573869263 /nfs/dbraw/zinc/86/92/63/573869263.db2.gz XUYQHNBUOOJHAX-UHFFFAOYSA-N 0 0 196.294 2.734 10 0 AFAERN CC(C)[C@@H]1C[C@H](C)[C@@H](O)[C@@H]1C(C)C 238161791 573869338 /nfs/dbraw/zinc/86/93/38/573869338.db2.gz RTPOTURMAVUFGK-NNYUYHANSA-N 0 0 184.323 2.932 10 0 AFAERN CC1(C)SCc2ccccc2C1=O 125334083 573869353 /nfs/dbraw/zinc/86/93/53/573869353.db2.gz VMKXJAHXXREQQF-UHFFFAOYSA-N 0 0 192.283 2.895 10 0 AFAERN CC(C)(C)[C@H]1CC(=O)[C@@H]2C=C[C@@H]2C1 238162280 573869356 /nfs/dbraw/zinc/86/93/56/573869356.db2.gz LHXJVFBGDHYBAR-OPRDCNLKSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)c1nc(C2CCC2)cc(=O)[nH]1 238162353 573869488 /nfs/dbraw/zinc/86/94/88/573869488.db2.gz GUMKLRGGGNWYIW-UHFFFAOYSA-N 0 0 192.262 2.573 10 0 AFAERN CC[C@H]1CC(=O)Nc2cc(F)ccc21 257889675 573869514 /nfs/dbraw/zinc/86/95/14/573869514.db2.gz WWUMGDBRQOALJQ-ZETCQYMHSA-N 0 0 193.221 2.662 10 0 AFAERN CC(=O)[C@@H]1CCC=CC1(C)C 238162595 573869538 /nfs/dbraw/zinc/86/95/38/573869538.db2.gz FLCTWKOJFFWGQC-VIFPVBQESA-N 0 0 152.237 2.568 10 0 AFAERN Cc1ccc2sc(F)nc2c1 238541286 573869568 /nfs/dbraw/zinc/86/95/68/573869568.db2.gz STIRLMCSGXOGRC-UHFFFAOYSA-N 0 0 167.208 2.744 10 0 AFAERN Cc1cccc2c1CS[C@@H](C)C2=O 125328774 573869617 /nfs/dbraw/zinc/86/96/17/573869617.db2.gz NFBSWQDRBNIJTG-QMMMGPOBSA-N 0 0 192.283 2.813 10 0 AFAERN Cc1c[nH]c(-c2cscc2C)n1 87288925 573870859 /nfs/dbraw/zinc/87/08/59/573870859.db2.gz KKGIRNHRAAJHDC-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN Cc1cc(-c2ccccc2)c(N)c(C)n1 238533302 573869855 /nfs/dbraw/zinc/86/98/55/573869855.db2.gz SMJOQYKQXBKNDW-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1cscc1[C@H](O)CC1CC1 87288155 573870865 /nfs/dbraw/zinc/87/08/65/573870865.db2.gz MCHKLCVUGVCGMS-SNVBAGLBSA-N 0 0 182.288 2.890 10 0 AFAERN C[C@@H](Nc1cccnc1)c1ccoc1 87289395 573869885 /nfs/dbraw/zinc/86/98/85/573869885.db2.gz SLIBYBRLBSKRSD-SECBINFHSA-N 0 0 188.230 2.848 10 0 AFAERN CC(C)(C)[C@H]1C(=O)[C@@]2(C)CC=C[C@@H]12 238163033 573869891 /nfs/dbraw/zinc/86/98/91/573869891.db2.gz CRLNEHDVEJAPHF-SBMIAAHKSA-N 0 0 178.275 2.814 10 0 AFAERN C=C/C=C/[C@@H]1C=CC[C@H]1C(C)=O 238161730 573869902 /nfs/dbraw/zinc/86/99/02/573869902.db2.gz JNEAFRRIRFINAL-MRUFAENASA-N 0 0 162.232 2.510 10 0 AFAERN Cc1nc(N)cc(Cl)c1C(F)F 238549702 573869958 /nfs/dbraw/zinc/86/99/58/573869958.db2.gz BVSZJKZJXTXCOP-UHFFFAOYSA-N 0 0 192.596 2.563 10 0 AFAERN CCC[C@@H](C)[C@@H](O)C(C)(C)OCC 233281137 573869970 /nfs/dbraw/zinc/86/99/70/573869970.db2.gz RYEOVRRNCIOZOZ-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)Oc1ccncc1Cl 238162213 573869995 /nfs/dbraw/zinc/86/99/95/573869995.db2.gz DXKFZMJRMQHULS-UHFFFAOYSA-N 0 0 171.627 2.522 10 0 AFAERN Cc1coc2c(Cl)nc(C=O)cc12 238550050 573870022 /nfs/dbraw/zinc/87/00/22/573870022.db2.gz QLZQELBJVSHALE-UHFFFAOYSA-N 0 0 195.605 2.602 10 0 AFAERN Cc1cc(Cl)c(OC(C)C)cn1 238162495 573870061 /nfs/dbraw/zinc/87/00/61/573870061.db2.gz BHCYXPFSTKZFOI-UHFFFAOYSA-N 0 0 185.654 2.831 10 0 AFAERN CC(=O)[C@@H]1CC[C@@]1(C)C=C(C)C 238172461 573870126 /nfs/dbraw/zinc/87/01/26/573870126.db2.gz RONDNAVXBPXJQM-QWRGUYRKSA-N 0 0 166.264 2.958 10 0 AFAERN C[C@]12CCC(=O)[C@@]13CCC[C@H]3C2 238540976 573870161 /nfs/dbraw/zinc/87/01/61/573870161.db2.gz CHFZEHHFKFKNCD-GDPRMGEGSA-N 0 0 164.248 2.546 10 0 AFAERN C=C=C(C)[C@@H](O)C1CCCCC1 238163030 573870197 /nfs/dbraw/zinc/87/01/97/573870197.db2.gz RLUVXPGAISRFPL-LLVKDONJSA-N 0 0 166.264 2.659 10 0 AFAERN CCCc1ccc(NCC(C)=O)cc1 258976047 573870278 /nfs/dbraw/zinc/87/02/78/573870278.db2.gz VXBYMFCIWKTKFJ-UHFFFAOYSA-N 0 0 191.274 2.640 10 0 AFAERN C[C@]12CCCC(=O)[C@H]1[C@@H]1CCC[C@@H]12 238541368 573870316 /nfs/dbraw/zinc/87/03/16/573870316.db2.gz JNGKRKCRLJPESZ-RBLKWDMZSA-N 0 0 178.275 2.792 10 0 AFAERN CC(C)(C)[C@@H]1Nc2ccccc2C1=O 238162804 573870349 /nfs/dbraw/zinc/87/03/49/573870349.db2.gz DCONCOLDEYLHOA-LLVKDONJSA-N 0 0 189.258 2.710 10 0 AFAERN CC(C)(C)c1[nH]nc2c(O)cccc12 257889616 573870363 /nfs/dbraw/zinc/87/03/63/573870363.db2.gz WVBVYWHMYUHNOE-UHFFFAOYSA-N 0 0 190.246 2.566 10 0 AFAERN Cc1coc2ccnc(Cl)c12 238550678 573870364 /nfs/dbraw/zinc/87/03/64/573870364.db2.gz WQNONUCSQSKPLT-UHFFFAOYSA-N 0 0 167.595 2.790 10 0 AFAERN C[C@@H]1SCc2ccc(F)cc2C1=O 125320033 573870405 /nfs/dbraw/zinc/87/04/05/573870405.db2.gz NWPIQHFLXRZSPI-LURJTMIESA-N 0 0 196.246 2.644 10 0 AFAERN CC(=O)[C@@H]1CCCCC=C1Cl 238163101 573870509 /nfs/dbraw/zinc/87/05/09/573870509.db2.gz LWJWOYKYZBPPMP-QMMMGPOBSA-N 0 0 172.655 2.888 10 0 AFAERN CC(C)=C[C@](C)(O)c1ccccc1O 238172301 573870519 /nfs/dbraw/zinc/87/05/19/573870519.db2.gz HDBBBNNXOVQCCP-LBPRGKRZSA-N 0 0 192.258 2.566 10 0 AFAERN Cc1cc(Cl)ncc1OC(C)C 238162641 573870544 /nfs/dbraw/zinc/87/05/44/573870544.db2.gz JERRBZVJOVOIJJ-UHFFFAOYSA-N 0 0 185.654 2.831 10 0 AFAERN CC(=O)[C@@H]1CC=CCC1(C)C 238161625 573870563 /nfs/dbraw/zinc/87/05/63/573870563.db2.gz QPYZCKDDTQLZHA-VIFPVBQESA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)C[C@H]1C[C@@]1(C)C=C(C)C 238172496 573870574 /nfs/dbraw/zinc/87/05/74/573870574.db2.gz MAUMQLVDVFVQJQ-WDEREUQCSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)c1nc(Cl)c2[nH]ccc2n1 238161586 573870592 /nfs/dbraw/zinc/87/05/92/573870592.db2.gz PNOYDHRXDBSHCY-UHFFFAOYSA-N 0 0 195.653 2.735 10 0 AFAERN C[C@@H](Nc1nccs1)c1ccoc1 87290488 573870630 /nfs/dbraw/zinc/87/06/30/573870630.db2.gz JQQKDNWZEOHUEI-SSDOTTSWSA-N 0 0 194.259 2.909 10 0 AFAERN CC(=O)[C@@H]1CCCC1=C(C)C 238162932 573870704 /nfs/dbraw/zinc/87/07/04/573870704.db2.gz BLMQNBHHDLJIMT-JTQLQIEISA-N 0 0 152.237 2.712 10 0 AFAERN CC(=O)c1occ2ccc(C)cc12 238161971 573870710 /nfs/dbraw/zinc/87/07/10/573870710.db2.gz XAFMGCGIIMYTIZ-UHFFFAOYSA-N 0 0 174.199 2.944 10 0 AFAERN CC(C)(C)[C@@](C)(O)c1ccccc1O 238164147 573872098 /nfs/dbraw/zinc/87/20/98/573872098.db2.gz VEUAFFZVPQTKPJ-LBPRGKRZSA-N 0 0 194.274 2.646 10 0 AFAERN Fc1cnc(-c2ccco2)nc1Cl 238549833 573872117 /nfs/dbraw/zinc/87/21/17/573872117.db2.gz IDWVAZKILXNUIW-UHFFFAOYSA-N 0 0 198.584 2.529 10 0 AFAERN CC(C)c1nc(-c2ccncc2)c[nH]1 238163236 573872130 /nfs/dbraw/zinc/87/21/30/573872130.db2.gz GWXKNFVDKLTCMZ-UHFFFAOYSA-N 0 0 187.246 2.595 10 0 AFAERN CC(C)=C[C@@H](O)c1ncccc1Cl 238163450 573871880 /nfs/dbraw/zinc/87/18/80/573871880.db2.gz WVVCBNRJWCNMKJ-SECBINFHSA-N 0 0 197.665 2.735 10 0 AFAERN C[C@H](O)C[C@@H](C)C1CCCCC1 84400754 573871907 /nfs/dbraw/zinc/87/19/07/573871907.db2.gz LCWBIZXOSALLGR-ZJUUUORDSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cccc2c1[C@@H](O)CCCC2 238550538 573872004 /nfs/dbraw/zinc/87/20/04/573872004.db2.gz KHAIGLVMHUUUEB-NSHDSACASA-N 0 0 176.259 2.755 10 0 AFAERN CC(=C/CO)/C=C/c1ccc(C)cc1 238165392 573873386 /nfs/dbraw/zinc/87/33/86/573873386.db2.gz ZEVYZHCHCPIRSF-VQDMZCOGSA-N 0 0 188.270 2.947 10 0 AFAERN Cc1coc2c(C=O)c(F)ccc12 238550008 573873078 /nfs/dbraw/zinc/87/30/78/573873078.db2.gz VVBKYUHCLWKOTQ-UHFFFAOYSA-N 0 0 178.162 2.693 10 0 AFAERN CC1(C)CSc2cc(N)ccc2N1 258441665 573873104 /nfs/dbraw/zinc/87/31/04/573873104.db2.gz GOTGMMXKMCLNIN-UHFFFAOYSA-N 0 0 194.303 2.565 10 0 AFAERN Cc1cccc2c1[C@H](O)CCCC2 238550518 573873135 /nfs/dbraw/zinc/87/31/35/573873135.db2.gz KHAIGLVMHUUUEB-LLVKDONJSA-N 0 0 176.259 2.755 10 0 AFAERN CC(C)(C)[C@@](C)(O)c1ccccc1N 238164117 573873227 /nfs/dbraw/zinc/87/32/27/573873227.db2.gz FLUMDMVDHZQJBB-LBPRGKRZSA-N 0 0 193.290 2.522 10 0 AFAERN Cc1cncc(CF)c1C(F)F 238541280 573873261 /nfs/dbraw/zinc/87/32/61/573873261.db2.gz GZEOVOGFARRJHF-UHFFFAOYSA-N 0 0 175.153 2.797 10 0 AFAERN CC(C)=C[C@@H]1CC(=O)C1(C)C 238163841 573873263 /nfs/dbraw/zinc/87/32/63/573873263.db2.gz ADIWSFBGIACVGI-MRVPVSSYSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1ncccc1CCC(=O)C(C)C 308459986 573873269 /nfs/dbraw/zinc/87/32/69/573873269.db2.gz FHLAYSKEATWXSS-UHFFFAOYSA-N 0 0 191.274 2.548 10 0 AFAERN CC(C)Nc1ccccc1N=O 238164708 573873271 /nfs/dbraw/zinc/87/32/71/573873271.db2.gz NOBRNPJXOVGMGB-UHFFFAOYSA-N 0 0 164.208 2.905 10 0 AFAERN Cc1noc(C2CCCCC2)c1C=O 238549980 573873316 /nfs/dbraw/zinc/87/33/16/573873316.db2.gz JUTGNVHAGDPIQL-UHFFFAOYSA-N 0 0 193.246 2.843 10 0 AFAERN C[C@H]1SCc2c(F)cccc2C1=O 125327230 573873461 /nfs/dbraw/zinc/87/34/61/573873461.db2.gz XIFWGOHCHLVGMA-ZCFIWIBFSA-N 0 0 196.246 2.644 10 0 AFAERN CC(C)=C[C@@H]1C=C(C)CC[C@@H]1CO 238163667 573873475 /nfs/dbraw/zinc/87/34/75/573873475.db2.gz PBZZEKXAPQBTMN-VXGBXAGGSA-N 0 0 180.291 2.917 10 0 AFAERN C[C@]12CCC=C3CCCC(=O)[C@H]1[C@@H]32 238541211 573873480 /nfs/dbraw/zinc/87/34/80/573873480.db2.gz IOSVIRIXILAJEU-GRYCIOLGSA-N 0 0 176.259 2.712 10 0 AFAERN Cc1cscc1[C@@H](O)c1ccoc1 87288198 573873530 /nfs/dbraw/zinc/87/35/30/573873530.db2.gz JKEVEVRRIXJWKT-JTQLQIEISA-N 0 0 194.255 2.731 10 0 AFAERN Cc1cscc1[C@H](O)c1ccoc1 87288197 573873551 /nfs/dbraw/zinc/87/35/51/573873551.db2.gz JKEVEVRRIXJWKT-SNVBAGLBSA-N 0 0 194.255 2.731 10 0 AFAERN C=C=C(C)[C@H](O)C1CCCCC1 238163526 573873613 /nfs/dbraw/zinc/87/36/13/573873613.db2.gz RLUVXPGAISRFPL-NSHDSACASA-N 0 0 166.264 2.659 10 0 AFAERN CC(=O)[C@@H]1CCCC[C@]1(C)Cl 238164310 573873618 /nfs/dbraw/zinc/87/36/18/573873618.db2.gz KNDGWIQFKZDRKA-IUCAKERBSA-N 0 0 174.671 2.763 10 0 AFAERN CC(=C/CO)/C=C/C(C)(C)C 238165025 573873691 /nfs/dbraw/zinc/87/36/91/573873691.db2.gz HEMZGVAHXOMRRP-BEDCHXNXSA-N 0 0 154.253 2.527 10 0 AFAERN C=C=C(C)[C@H](O)c1cc2ccccc2[nH]1 238163671 573873697 /nfs/dbraw/zinc/87/36/97/573873697.db2.gz NEDNPFROJFCDHQ-ZDUSSCGKSA-N 0 0 199.253 2.933 10 0 AFAERN CC(C)C[C@H]1C(=O)CC[C@@H]1C 238163396 573873710 /nfs/dbraw/zinc/87/37/10/573873710.db2.gz JOYJYHVNAYJAEW-DTWKUNHWSA-N 0 0 154.253 2.648 10 0 AFAERN Cc1ccccc1-c1ccc(N)[nH]1 258170333 573877097 /nfs/dbraw/zinc/87/70/97/573877097.db2.gz RKLNBRNHFSRMCN-UHFFFAOYSA-N 0 0 172.231 2.572 10 0 AFAERN Cc1cccc([C@@]2(CO)CC2(C)C)c1 258982343 573877139 /nfs/dbraw/zinc/87/71/39/573877139.db2.gz JXGRRYOLTUVJBQ-ZDUSSCGKSA-N 0 0 190.286 2.655 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]2CCCCC[C@@H]21 238176105 573876503 /nfs/dbraw/zinc/87/65/03/573876503.db2.gz LQHDZDQVDYPRPP-DCAQKATOSA-N 0 0 166.264 2.792 10 0 AFAERN CCC[C@](O)(CC)c1ccsn1 311697566 573876547 /nfs/dbraw/zinc/87/65/47/573876547.db2.gz QUGAJZHCXPCFIW-SECBINFHSA-N 0 0 185.292 2.541 10 0 AFAERN CC(=O)[C@@H]1C[C@@H]2CCCC[C@@]23C[C@@H]13 238176171 573876604 /nfs/dbraw/zinc/87/66/04/573876604.db2.gz RVFDHBWHSYTYFF-FIQHERPVSA-N 0 0 178.275 2.792 10 0 AFAERN O=C1CCC[C@@H]2CCCC[C@]12F 238551509 573876624 /nfs/dbraw/zinc/87/66/24/573876624.db2.gz IISMYMYXUPPAEI-WCBMZHEXSA-N 0 0 170.227 2.638 10 0 AFAERN S=C1N=C(c2ccoc2)CS1 87307789 573876667 /nfs/dbraw/zinc/87/66/67/573876667.db2.gz OLBJAQNICXWJLY-UHFFFAOYSA-N 0 0 183.257 2.692 10 0 AFAERN C[C@@H]1CSc2ccc(C=O)cc21 257895636 573876680 /nfs/dbraw/zinc/87/66/80/573876680.db2.gz ACNWXTHTXLLAII-SSDOTTSWSA-N 0 0 178.256 2.708 10 0 AFAERN Clc1cccc2c1N1C=CC[C@H]1N2 238551933 573876698 /nfs/dbraw/zinc/87/66/98/573876698.db2.gz ADKWRXGHJBUVGK-VIFPVBQESA-N 0 0 192.649 2.815 10 0 AFAERN CC[C@H](C)C[C@@H](NN)C(C)(C)CC 131459743 573876726 /nfs/dbraw/zinc/87/67/26/573876726.db2.gz OUSZRCKTRXFXRH-VHSXEESVSA-N 0 0 186.343 2.691 10 0 AFAERN CC(C)=C[C@H]1C(=O)[C@@H]1C=C(C)C 238165570 573876729 /nfs/dbraw/zinc/87/67/29/573876729.db2.gz HETSXJXXXQYHPA-NXEZZACHSA-N 0 0 164.248 2.734 10 0 AFAERN Cc1cccc([C@]2(CO)CC2(C)C)c1 258982337 573876772 /nfs/dbraw/zinc/87/67/72/573876772.db2.gz JXGRRYOLTUVJBQ-CYBMUJFWSA-N 0 0 190.286 2.655 10 0 AFAERN Cc1cc(CN(C)O)cc(Cl)c1C 215001904 573876778 /nfs/dbraw/zinc/87/67/78/573876778.db2.gz XGPUURWFKJBETP-UHFFFAOYSA-N 0 0 199.681 2.778 10 0 AFAERN CC(=C/CO)/C=C/c1ccsc1 238165517 573876780 /nfs/dbraw/zinc/87/67/80/573876780.db2.gz LXEKCZHWKWBKCI-OQIXSKIXSA-N 0 0 180.272 2.700 10 0 AFAERN COCN(C)c1ccc(C(C)C)cc1 259218685 573876961 /nfs/dbraw/zinc/87/69/61/573876961.db2.gz XPIBPZWRQUTAFK-UHFFFAOYSA-N 0 0 193.290 2.850 10 0 AFAERN CC1(C(=O)c2cc[nH]c2)CCCC1 87315853 573878926 /nfs/dbraw/zinc/87/89/26/573878926.db2.gz ZWIFZZLJASCJTE-UHFFFAOYSA-N 0 0 177.247 2.778 10 0 AFAERN Cc1ccc2c(c1)[C@H](O)[C@H](C)SC2 125362406 573878929 /nfs/dbraw/zinc/87/89/29/573878929.db2.gz KFJZPGAULLQCJU-GZMMTYOYSA-N 0 0 194.299 2.664 10 0 AFAERN OCC/C=C\c1ccccc1Cl 146151279 573878955 /nfs/dbraw/zinc/87/89/55/573878955.db2.gz AJSZLGXJNXBZQX-UTCJRWHESA-N 0 0 182.650 2.736 10 0 AFAERN CC(C)[C@H]1C(=O)C(C)(C)[C@H]1C 238176589 573879017 /nfs/dbraw/zinc/87/90/17/573879017.db2.gz RFPOJMWVGBFTHI-JGVFFNPUSA-N 0 0 154.253 2.504 10 0 AFAERN Cc1csc(Oc2cccnc2)n1 257892599 573880299 /nfs/dbraw/zinc/88/02/99/573880299.db2.gz MNRMJQWVZYJUPL-UHFFFAOYSA-N 0 0 192.243 2.639 10 0 AFAERN CC1=C[C@@H]2C(=O)C(C)(C)[C@@]2(C)C1 238177835 573880331 /nfs/dbraw/zinc/88/03/31/573880331.db2.gz AWQGEOZHRGYMLA-KCJUWKMLSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccc2c(c1)[C@H](O)[C@@H](C)SC2 125362840 573879996 /nfs/dbraw/zinc/87/99/96/573879996.db2.gz KFJZPGAULLQCJU-LDYMZIIASA-N 0 0 194.299 2.664 10 0 AFAERN CCc1cc(C)c(C)c(C)c1O 197732208 573880320 /nfs/dbraw/zinc/88/03/20/573880320.db2.gz YDKQPVZWVYZIMH-UHFFFAOYSA-N 0 0 164.248 2.880 10 0 AFAERN Cc1ccc(/C=C2/C[C@@H]2CO)cc1C 238553480 573880078 /nfs/dbraw/zinc/88/00/78/573880078.db2.gz TVWFPMDPHOSVHS-MVXISAMASA-N 0 0 188.270 2.699 10 0 AFAERN CC[C@H]1C[C@@]1(O)C1(C)CCCC1 87329785 573880130 /nfs/dbraw/zinc/88/01/30/573880130.db2.gz NWMXOCWUSLACSJ-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN CCCCc1cc(N)ccc1F 145036518 573880188 /nfs/dbraw/zinc/88/01/88/573880188.db2.gz WVMIRHPGFUNZQY-UHFFFAOYSA-N 0 0 167.227 2.751 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1ccncc1C 233282560 573880264 /nfs/dbraw/zinc/88/02/64/573880264.db2.gz OTZDMNDIEWLJDG-BXKDBHETSA-N 0 0 193.290 2.860 10 0 AFAERN CCc1c(N)noc1C1(C)CCCC1 87330724 573881911 /nfs/dbraw/zinc/88/19/11/573881911.db2.gz IZXFDDCFIVEVCS-UHFFFAOYSA-N 0 0 194.278 2.651 10 0 AFAERN Cc1ccc(C)c(CN(C)O)c1Cl 215002260 573881201 /nfs/dbraw/zinc/88/12/01/573881201.db2.gz BLKMDEKJGFPINR-UHFFFAOYSA-N 0 0 199.681 2.778 10 0 AFAERN CCC1(c2onc(N)c2C)CCCC1 87330716 573881215 /nfs/dbraw/zinc/88/12/15/573881215.db2.gz AIHJGSFWCQSCMT-UHFFFAOYSA-N 0 0 194.278 2.787 10 0 AFAERN C[C@@H](F)c1cccc(CC2(O)CC2)c1 258171069 573881221 /nfs/dbraw/zinc/88/12/21/573881221.db2.gz VUUIPVJGASVVBG-SECBINFHSA-N 0 0 194.249 2.785 10 0 AFAERN CC[C@@H]1C[C@@]1(O)c1ccc(C)cc1F 87333188 573881241 /nfs/dbraw/zinc/88/12/41/573881241.db2.gz DCPSTMKKFVDLDX-SKDRFNHKSA-N 0 0 194.249 2.752 10 0 AFAERN CC1=C[C@@H]2C(=O)C(C)(C)[C@]2(C)C1 238177861 573881271 /nfs/dbraw/zinc/88/12/71/573881271.db2.gz AWQGEOZHRGYMLA-LDYMZIIASA-N 0 0 164.248 2.568 10 0 AFAERN CC[C@H]1C[C@@]1(O)c1ccc(C)cc1F 87333191 573881295 /nfs/dbraw/zinc/88/12/95/573881295.db2.gz DCPSTMKKFVDLDX-CABZTGNLSA-N 0 0 194.249 2.752 10 0 AFAERN CC(=O)OCC1CCCCCC1 80132153 573881383 /nfs/dbraw/zinc/88/13/83/573881383.db2.gz BCCWXPOGFZRHKX-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN C[C@H](O)CC(C)(C)c1ccccc1F 84418050 573881442 /nfs/dbraw/zinc/88/14/42/573881442.db2.gz SWDSHVKRBXKZNM-VIFPVBQESA-N 0 0 196.265 2.874 10 0 AFAERN CCCCc1c(O)ccc(O)c1C 80169509 573881443 /nfs/dbraw/zinc/88/14/43/573881443.db2.gz XURGPLKLBUMZTN-UHFFFAOYSA-N 0 0 180.247 2.749 10 0 AFAERN CCC1(c2[nH]nc(N)c2C)CCCC1 87316875 573881497 /nfs/dbraw/zinc/88/14/97/573881497.db2.gz GXMRSINXDWAFJS-UHFFFAOYSA-N 0 0 193.294 2.522 10 0 AFAERN COC1(C(=O)CCC(C)C)CCC1 131579143 573881524 /nfs/dbraw/zinc/88/15/24/573881524.db2.gz DOITVVWWVZBGNF-UHFFFAOYSA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)[C@@H]1C=C2CCCC[C@H]2C1=O 238178320 573881546 /nfs/dbraw/zinc/88/15/46/573881546.db2.gz PWSIOCQIYHDBOX-MNOVXSKESA-N 0 0 178.275 2.958 10 0 AFAERN CC1=C[C@@H]2CCC[C@]23CCC(=O)[C@@H]13 238178762 573881554 /nfs/dbraw/zinc/88/15/54/573881554.db2.gz TZXUKGHZYACSCR-WCQGTBRESA-N 0 0 176.259 2.712 10 0 AFAERN CC1=C[C@@H]2CC(=O)C[C@H]2C1(C)C 238178061 573881714 /nfs/dbraw/zinc/88/17/14/573881714.db2.gz GXDWVCQDYKLMES-PSASIEDQSA-N 0 0 164.248 2.568 10 0 AFAERN CSCC(=O)c1ccc(C)cc1F 87331750 573881834 /nfs/dbraw/zinc/88/18/34/573881834.db2.gz GILJNUWDUHYLIW-UHFFFAOYSA-N 0 0 198.262 2.680 10 0 AFAERN CONCc1c(Cl)ccc(C)c1C 258171620 573881845 /nfs/dbraw/zinc/88/18/45/573881845.db2.gz QBXZIERPPPNVOM-UHFFFAOYSA-N 0 0 199.681 2.608 10 0 AFAERN Cc1ccc(/C=C2/C[C@H]2CO)cc1C 238553495 573882887 /nfs/dbraw/zinc/88/28/87/573882887.db2.gz TVWFPMDPHOSVHS-TZQNSNDFSA-N 0 0 188.270 2.699 10 0 AFAERN CCCSc1ccc(C(C)=O)o1 131584210 573881880 /nfs/dbraw/zinc/88/18/80/573881880.db2.gz UHIYFTMIHQTPSV-UHFFFAOYSA-N 0 0 184.260 2.984 10 0 AFAERN C[C@@H]1CSc2cc(C=O)ccc21 258171247 573881904 /nfs/dbraw/zinc/88/19/04/573881904.db2.gz SEIQAPMEPOHUHX-SSDOTTSWSA-N 0 0 178.256 2.708 10 0 AFAERN Cc1cccc(NC2CC2)c1 76577392 573881907 /nfs/dbraw/zinc/88/19/07/573881907.db2.gz JMBBBUJAGOTTCI-UHFFFAOYSA-N 0 0 147.221 2.569 10 0 AFAERN Clc1ccn2cncc2c1Cl 238553567 573882891 /nfs/dbraw/zinc/88/28/91/573882891.db2.gz NYNQLRTZAKZKIR-UHFFFAOYSA-N 0 0 187.029 2.641 10 0 AFAERN CC1=C[C@@H]2CCC[C@@H](O)[C@@]2(C)CC1 238178649 573881934 /nfs/dbraw/zinc/88/19/34/573881934.db2.gz KIPFOKHBBSBIKL-TUAOUCFPSA-N 0 0 180.291 2.894 10 0 AFAERN CC(=O)[C@@H]1[C@@H]2CCC(C)(C)[C@@]21C 238177605 573881982 /nfs/dbraw/zinc/88/19/82/573881982.db2.gz HCUFZOBCMFGTDC-NGZCFLSTSA-N 0 0 166.264 2.648 10 0 AFAERN CC1(c2nnc(C3CC3)[nH]2)CCCC1 87317348 573881994 /nfs/dbraw/zinc/88/19/94/573881994.db2.gz IKTFLQOMHNGGLC-UHFFFAOYSA-N 0 0 191.278 2.514 10 0 AFAERN Cc1ccc2c(c1)[C@@H](O)[C@@H](C)SC2 125363110 573882054 /nfs/dbraw/zinc/88/20/54/573882054.db2.gz KFJZPGAULLQCJU-KCJUWKMLSA-N 0 0 194.299 2.664 10 0 AFAERN C[C@H]1CSc2cc(C=O)ccc21 258171249 573882055 /nfs/dbraw/zinc/88/20/55/573882055.db2.gz SEIQAPMEPOHUHX-ZETCQYMHSA-N 0 0 178.256 2.708 10 0 AFAERN CCC1([C@]2(O)C[C@H]2C)CCCC1 87329756 573882068 /nfs/dbraw/zinc/88/20/68/573882068.db2.gz XOFMEDDSHTUGLU-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cccc2c1CS[C@H](C)[C@H]2O 125354333 573882069 /nfs/dbraw/zinc/88/20/69/573882069.db2.gz NRLDFLLXABMXGR-LDYMZIIASA-N 0 0 194.299 2.664 10 0 AFAERN CC1=CC(C)=C[C@@H]2C(=O)CCC2=C1 238177897 573882070 /nfs/dbraw/zinc/88/20/70/573882070.db2.gz GCLZTXZGNMHFEY-NSHDSACASA-N 0 0 174.243 2.798 10 0 AFAERN CCc1ccc(CC(=O)C2CC2)cc1 41204191 573882096 /nfs/dbraw/zinc/88/20/96/573882096.db2.gz NHAZZVOWLSRJCX-UHFFFAOYSA-N 0 0 188.270 2.771 10 0 AFAERN CCC1(C(C)=O)CCCC1 87330914 573882119 /nfs/dbraw/zinc/88/21/19/573882119.db2.gz FTEPFGNNOWIAML-UHFFFAOYSA-N 0 0 140.226 2.546 10 0 AFAERN CC1=C[C@@H]2CCC[C@H](O)[C@@]2(C)CC1 238178729 573882144 /nfs/dbraw/zinc/88/21/44/573882144.db2.gz KIPFOKHBBSBIKL-SRVKXCTJSA-N 0 0 180.291 2.894 10 0 AFAERN CCC(CC)(CC)CN1CC(F)C1 393568118 573882930 /nfs/dbraw/zinc/88/29/30/573882930.db2.gz XJBCDCVFIBVSBE-UHFFFAOYSA-N 0 0 187.302 2.857 10 0 AFAERN Nc1onc(Cl)c1C1CCCC1 257892478 573882182 /nfs/dbraw/zinc/88/21/82/573882182.db2.gz NOWPAYAMDJFANX-UHFFFAOYSA-N 0 0 186.642 2.568 10 0 AFAERN CC1(C)CC(=O)C12C=CC=CC=C2 238177340 573882218 /nfs/dbraw/zinc/88/22/18/573882218.db2.gz CHRRNXCAZKJRPP-UHFFFAOYSA-N 0 0 174.243 2.654 10 0 AFAERN CC(=O)NC1(C(C)C)CCC(C)CC1 238178741 573882263 /nfs/dbraw/zinc/88/22/63/573882263.db2.gz SRHDQOXVCYRJJE-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN OC1(c2ccc(Cl)s2)CCC1 87335606 573882265 /nfs/dbraw/zinc/88/22/65/573882265.db2.gz BULIFWACEWSKMZ-UHFFFAOYSA-N 0 0 188.679 2.773 10 0 AFAERN CC(C)[C@@H]1C=C2CCCC[C@@H]2C1=O 238178298 573882918 /nfs/dbraw/zinc/88/29/18/573882918.db2.gz PWSIOCQIYHDBOX-QWRGUYRKSA-N 0 0 178.275 2.958 10 0 AFAERN CC1=C[C@@H]2CCC[C@@]23CCC(=O)[C@@H]13 238178689 573882301 /nfs/dbraw/zinc/88/23/01/573882301.db2.gz TZXUKGHZYACSCR-MVWJERBFSA-N 0 0 176.259 2.712 10 0 AFAERN CCCC(=O)CCCc1cccnc1 41205244 573882411 /nfs/dbraw/zinc/88/24/11/573882411.db2.gz JTLJIGYBWCPTDU-UHFFFAOYSA-N 0 0 191.274 2.774 10 0 AFAERN C[C@H](F)c1cccc(CC2(O)CC2)c1 258171073 573882442 /nfs/dbraw/zinc/88/24/42/573882442.db2.gz VUUIPVJGASVVBG-VIFPVBQESA-N 0 0 194.249 2.785 10 0 AFAERN CC(C)c1cccc(CC2(O)CC2)c1 258171212 573882454 /nfs/dbraw/zinc/88/24/54/573882454.db2.gz VXPMGUWZALSBQE-UHFFFAOYSA-N 0 0 190.286 2.877 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1nccs1 233282500 573882499 /nfs/dbraw/zinc/88/24/99/573882499.db2.gz VJKULSSRWADWHO-SFYZADRCSA-N 0 0 185.292 2.613 10 0 AFAERN COC(=O)C1(CC2CCCC2)CC1 259219708 573882557 /nfs/dbraw/zinc/88/25/57/573882557.db2.gz UDMPPDZQIUVOLH-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CC(C)[C@@H]1CC(=O)c2ccoc2C1 238178811 573883226 /nfs/dbraw/zinc/88/32/26/573883226.db2.gz JCXAJTSRIWWVEH-MRVPVSSYSA-N 0 0 178.231 2.681 10 0 AFAERN c1coc([C@H]2Nc3ccccc3O2)c1 238554025 573882655 /nfs/dbraw/zinc/88/26/55/573882655.db2.gz NNEOQIWROQEKCC-NSHDSACASA-N 0 0 187.198 2.783 10 0 AFAERN Cc1ccc2c(c1)[C@@H](O)[C@H](C)SC2 125362609 573882679 /nfs/dbraw/zinc/88/26/79/573882679.db2.gz KFJZPGAULLQCJU-KWQFWETISA-N 0 0 194.299 2.664 10 0 AFAERN CCC1(c2noc(N)c2C)CCCC1 87317182 573882700 /nfs/dbraw/zinc/88/27/00/573882700.db2.gz DSHUKSNWDGMZFX-UHFFFAOYSA-N 0 0 194.278 2.787 10 0 AFAERN CC(C)c1nnc(C2(C)CCCC2)[nH]1 87317341 573882706 /nfs/dbraw/zinc/88/27/06/573882706.db2.gz KTUOYNPKSNQAIW-UHFFFAOYSA-N 0 0 193.294 2.760 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1ccc(C)cn1 233282031 573882805 /nfs/dbraw/zinc/88/28/05/573882805.db2.gz HISFYSSASPWNIZ-PWSUYJOCSA-N 0 0 193.290 2.860 10 0 AFAERN CC(C)Cc1ccc2c(c1)[C@@H](O)CC2 87316838 573882831 /nfs/dbraw/zinc/88/28/31/573882831.db2.gz MSODMJZIKXCKPF-ZDUSSCGKSA-N 0 0 190.286 2.865 10 0 AFAERN CC[C@@H]1C[C@@]1(O)C1(C)CCCC1 87329781 573882852 /nfs/dbraw/zinc/88/28/52/573882852.db2.gz NWMXOCWUSLACSJ-KOLCDFICSA-N 0 0 168.280 2.728 10 0 AFAERN CC[C@H]1C[C@]1(O)C1(C)CCCC1 87329775 573883003 /nfs/dbraw/zinc/88/30/03/573883003.db2.gz NWMXOCWUSLACSJ-GXSJLCMTSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1ccc(C(C)(C)C)c(C=O)c1O 238552749 573883006 /nfs/dbraw/zinc/88/30/06/573883006.db2.gz SJXDCCVCCWRDFS-UHFFFAOYSA-N 0 0 192.258 2.811 10 0 AFAERN CCc1ccc(C[C@@H](C)[C@@H](C)O)cc1 41206002 573883056 /nfs/dbraw/zinc/88/30/56/573883056.db2.gz LBRRJTQTRLUPFP-GHMZBOCLSA-N 0 0 192.302 2.808 10 0 AFAERN CC1CCC(CC(C)(C)C(N)=O)CC1 238177721 573883214 /nfs/dbraw/zinc/88/32/14/573883214.db2.gz GSJRMVDVTYAUOX-UHFFFAOYSA-N 0 0 197.322 2.714 10 0 AFAERN CC(C)(C)OC(=O)C1(C)CCCC1 87317556 573883218 /nfs/dbraw/zinc/88/32/18/573883218.db2.gz OVTQJCVKSJPGOH-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN Cc1cccc2c1CS[C@@H](C)[C@@H]2O 125354134 573883087 /nfs/dbraw/zinc/88/30/87/573883087.db2.gz NRLDFLLXABMXGR-KWQFWETISA-N 0 0 194.299 2.664 10 0 AFAERN CCC1([C@]2(O)C[C@@H]2C)CCCC1 87329752 573883113 /nfs/dbraw/zinc/88/31/13/573883113.db2.gz XOFMEDDSHTUGLU-ONGXEEELSA-N 0 0 168.280 2.728 10 0 AFAERN C/C(=C\CO)c1csc(C(C)C)n1 238178576 573883128 /nfs/dbraw/zinc/88/31/28/573883128.db2.gz ZRJDNBNVCBTETB-XBXARRHUSA-N 0 0 197.303 2.662 10 0 AFAERN CCc1ccsc1Cl 102268491 573894845 /nfs/dbraw/zinc/89/48/45/573894845.db2.gz LDQRGVZEYRGHLH-UHFFFAOYSA-N 0 0 146.642 2.964 10 0 AFAERN O=C1CC[C@@H](c2cc(Cl)ccn2)C1 238554281 573885163 /nfs/dbraw/zinc/88/51/63/573885163.db2.gz VFHYNMNMXSDUMS-SSDOTTSWSA-N 0 0 195.649 2.572 10 0 AFAERN COC(C)(C)c1cccc(C(C)=O)c1 259577319 573885179 /nfs/dbraw/zinc/88/51/79/573885179.db2.gz XWNDBISKDGQRJK-UHFFFAOYSA-N 0 0 192.258 2.771 10 0 AFAERN CC(C)=C1C(=O)Nc2cc(C)ccc21 238180016 573884764 /nfs/dbraw/zinc/88/47/64/573884764.db2.gz PGYDLIJGKMNLJC-UHFFFAOYSA-N 0 0 187.242 2.741 10 0 AFAERN C/C=C/C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 87333820 573884809 /nfs/dbraw/zinc/88/48/09/573884809.db2.gz MVQBRIDWTSTCAO-VMZVSEJASA-N 0 0 195.306 2.503 10 0 AFAERN CC(C)[C@H]1Cc2cc(Cl)cnc2N1 257893870 573884864 /nfs/dbraw/zinc/88/48/64/573884864.db2.gz XQNSOJXFENQPRB-SECBINFHSA-N 0 0 196.681 2.728 10 0 AFAERN CC1([C@@H](O)c2cc[nH]c2)CCCC1 87318409 573884889 /nfs/dbraw/zinc/88/48/89/573884889.db2.gz ZIMVESDMOFXEKT-JTQLQIEISA-N 0 0 179.263 2.628 10 0 AFAERN OCCc1cc2c(F)cccc2s1 257893297 573884892 /nfs/dbraw/zinc/88/48/92/573884892.db2.gz LLFWIOPCFXMYCT-UHFFFAOYSA-N 0 0 196.246 2.575 10 0 AFAERN O=C1CC[C@H](c2cc(Cl)ccn2)C1 238554444 573885030 /nfs/dbraw/zinc/88/50/30/573885030.db2.gz VFHYNMNMXSDUMS-ZETCQYMHSA-N 0 0 195.649 2.572 10 0 AFAERN c1ccc([C@H]2CCc3cncn3C2)cc1 259220210 573885079 /nfs/dbraw/zinc/88/50/79/573885079.db2.gz OLDFBYSXVJVEPV-LBPRGKRZSA-N 0 0 198.269 2.613 10 0 AFAERN Cc1ccc(C)c2c1CSC[C@H]2O 125379106 573885100 /nfs/dbraw/zinc/88/51/00/573885100.db2.gz TVVRGHLMVZBRGJ-SNVBAGLBSA-N 0 0 194.299 2.584 10 0 AFAERN CCC(C)(C)OC(=O)N1CCCCC1 114762219 573891793 /nfs/dbraw/zinc/89/17/93/573891793.db2.gz VBCGLOBWZBOMOB-UHFFFAOYSA-N 0 0 199.294 2.798 10 0 AFAERN CC(C)(C)[C@H](O)[C@H]1[C@H]2CCCC[C@H]21 238181097 573892270 /nfs/dbraw/zinc/89/22/70/573892270.db2.gz PZKCOEWMZNPNJK-LMLFDSFASA-N 0 0 182.307 2.830 10 0 AFAERN CC/C(C)=C/[C@@H]1C[C@H]1C(C)=O 238180085 573886658 /nfs/dbraw/zinc/88/66/58/573886658.db2.gz CWRCKLZYVVMNLQ-NVETZNIKSA-N 0 0 152.237 2.568 10 0 AFAERN Nc1cccc(C[C@H]2CCSC2)c1 257892844 573886668 /nfs/dbraw/zinc/88/66/68/573886668.db2.gz XKRGKSYOPJNEAK-SNVBAGLBSA-N 0 0 193.315 2.564 10 0 AFAERN Cc1cc(C)c(Cl)c(CN(C)O)c1 215002330 573886721 /nfs/dbraw/zinc/88/67/21/573886721.db2.gz WKTBIFAPQZNSNE-UHFFFAOYSA-N 0 0 199.681 2.778 10 0 AFAERN Cc1ccc([C@H](O)C2(C)CCC2)cn1 715370388 573886722 /nfs/dbraw/zinc/88/67/22/573886722.db2.gz SWJVJCBSNXNQLD-NSHDSACASA-N 0 0 191.274 2.614 10 0 AFAERN Cc1cc(C(C)(C)C)oc1C=O 144904536 573886799 /nfs/dbraw/zinc/88/67/99/573886799.db2.gz ZJFODYZHVSMYSB-UHFFFAOYSA-N 0 0 166.220 2.698 10 0 AFAERN C/C=C(/C)c1ccccc1O 144910549 573886803 /nfs/dbraw/zinc/88/68/03/573886803.db2.gz AQHANRVDTSURKY-BAQGIRSFSA-N 0 0 148.205 2.815 10 0 AFAERN Cc1ccc(C)c2c1CSC[C@@H]2O 125378938 573886853 /nfs/dbraw/zinc/88/68/53/573886853.db2.gz TVVRGHLMVZBRGJ-JTQLQIEISA-N 0 0 194.299 2.584 10 0 AFAERN Cc1ccc(N)c(CC(F)(F)F)c1 257892954 573886867 /nfs/dbraw/zinc/88/68/67/573886867.db2.gz XNONIHWRBCINEN-UHFFFAOYSA-N 0 0 189.180 2.682 10 0 AFAERN COCc1coc2c(C)cccc12 257894055 573892361 /nfs/dbraw/zinc/89/23/61/573892361.db2.gz MUEUFGNPOWELBS-UHFFFAOYSA-N 0 0 176.215 2.888 10 0 AFAERN CSCc1coc2cc(N)ccc12 258173023 573887010 /nfs/dbraw/zinc/88/70/10/573887010.db2.gz YHWIUZDWMJWYAZ-UHFFFAOYSA-N 0 0 193.271 2.878 10 0 AFAERN CC(C)(C)c1n[nH]c2cccc(O)c12 257892966 573887023 /nfs/dbraw/zinc/88/70/23/573887023.db2.gz XNZBNIQZKZYYNR-UHFFFAOYSA-N 0 0 190.246 2.566 10 0 AFAERN FC(F)(F)c1cccc2c1[C@H]1C[C@H]1N2 257893206 573887044 /nfs/dbraw/zinc/88/70/44/573887044.db2.gz JKKPUIZDCAZNEM-YLWLKBPMSA-N 0 0 199.175 2.987 10 0 AFAERN CC1(C)CSc2c(O)cccc2N1 259219969 573887045 /nfs/dbraw/zinc/88/70/45/573887045.db2.gz LQWGPQDFEPSEIR-UHFFFAOYSA-N 0 0 195.287 2.688 10 0 AFAERN Cc1csc2cc(CO)ccc12 238555167 573887065 /nfs/dbraw/zinc/88/70/65/573887065.db2.gz GZODLVHHNRBONT-UHFFFAOYSA-N 0 0 178.256 2.702 10 0 AFAERN CCc1ccc(C[C@H](C)[C@@H](C)O)cc1 41206003 573887115 /nfs/dbraw/zinc/88/71/15/573887115.db2.gz LBRRJTQTRLUPFP-WDEREUQCSA-N 0 0 192.302 2.808 10 0 AFAERN CCC(CC)Nc1cccccc1=O 238180396 573887141 /nfs/dbraw/zinc/88/71/41/573887141.db2.gz NINYFNWAXRJQAG-UHFFFAOYSA-N 0 0 191.274 2.647 10 0 AFAERN CC(C)C[C@H](CO)c1ccccc1 41200497 573887153 /nfs/dbraw/zinc/88/71/53/573887153.db2.gz XUHCOQQEUOQSHW-GFCCVEGCSA-N 0 0 178.275 2.809 10 0 AFAERN CC(C)C[C@@H](CO)c1ccccc1 41200494 573887178 /nfs/dbraw/zinc/88/71/78/573887178.db2.gz XUHCOQQEUOQSHW-LBPRGKRZSA-N 0 0 178.275 2.809 10 0 AFAERN Nc1cccc(C[C@@H]2CCSC2)c1 257892842 573887199 /nfs/dbraw/zinc/88/71/99/573887199.db2.gz XKRGKSYOPJNEAK-JTQLQIEISA-N 0 0 193.315 2.564 10 0 AFAERN c1ccc([C@@H]2CCc3cncn3C2)cc1 259220206 573887203 /nfs/dbraw/zinc/88/72/03/573887203.db2.gz OLDFBYSXVJVEPV-GFCCVEGCSA-N 0 0 198.269 2.613 10 0 AFAERN Clc1ccnc2onc(C3CC3)c12 238554817 573887206 /nfs/dbraw/zinc/88/72/06/573887206.db2.gz JAGLZWSLHJVBDH-UHFFFAOYSA-N 0 0 194.621 2.754 10 0 AFAERN Cc1cnoc1-c1cccc(F)c1 102159646 573889351 /nfs/dbraw/zinc/88/93/51/573889351.db2.gz FYIQEWXKHPZFAG-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN OCCc1ccccc1C1CCCC1 145048137 573887307 /nfs/dbraw/zinc/88/73/07/573887307.db2.gz AOCBAQSIBQKNGR-UHFFFAOYSA-N 0 0 190.286 2.879 10 0 AFAERN CC(C)Cc1noc2ccc(O)cc12 257892894 573887354 /nfs/dbraw/zinc/88/73/54/573887354.db2.gz XMDQPQIEGIVGLN-UHFFFAOYSA-N 0 0 191.230 2.732 10 0 AFAERN Fc1cc(Cl)c2c(c1)NCC21CC1 238554644 573887469 /nfs/dbraw/zinc/88/74/69/573887469.db2.gz JOSRGGGBQUWGSK-UHFFFAOYSA-N 0 0 197.640 2.936 10 0 AFAERN FC(F)(F)c1cccc2c1[C@@H]1C[C@@H]1N2 257893204 573887541 /nfs/dbraw/zinc/88/75/41/573887541.db2.gz JKKPUIZDCAZNEM-XRGYYRRGSA-N 0 0 199.175 2.987 10 0 AFAERN CCC[C@@]1(C)CCCC1=O 80304374 573887555 /nfs/dbraw/zinc/88/75/55/573887555.db2.gz PCPKXXRAVMYAFD-VIFPVBQESA-N 0 0 140.226 2.546 10 0 AFAERN O=C1CC[C@H]2CCCC[C@]12Cl 238556118 573887592 /nfs/dbraw/zinc/88/75/92/573887592.db2.gz ZISYSVSNAMPDHO-VXNVDRBHSA-N 0 0 172.655 2.517 10 0 AFAERN CC/C(C)=C/[C@@H](O)CC(C)C 238179966 573887704 /nfs/dbraw/zinc/88/77/04/573887704.db2.gz YKXIGFBRINMTEB-PCYYEKQGSA-N 0 0 156.269 2.750 10 0 AFAERN COc1cc(N)cc2c(F)cccc12 257892825 573887898 /nfs/dbraw/zinc/88/78/98/573887898.db2.gz XKHPMBQTJPETRC-UHFFFAOYSA-N 0 0 191.205 2.570 10 0 AFAERN Cc1c[nH]c2[nH]c(=S)[nH]c(=S)c12 238555521 573887915 /nfs/dbraw/zinc/88/79/15/573887915.db2.gz SRVHFKGJLXXDNB-UHFFFAOYSA-N 0 0 197.288 2.592 10 0 AFAERN CC/C(C)=C/[C@H](O)CC(C)C 238180268 573887931 /nfs/dbraw/zinc/88/79/31/573887931.db2.gz YKXIGFBRINMTEB-TTZKWOQHSA-N 0 0 156.269 2.750 10 0 AFAERN CC/C(C)=C/[C@@H]1C[C@@H]1C(C)=O 238180066 573888006 /nfs/dbraw/zinc/88/80/06/573888006.db2.gz CWRCKLZYVVMNLQ-NDDURPPSSA-N 0 0 152.237 2.568 10 0 AFAERN Nc1c(F)cccc1Cc1ccco1 257892924 573888082 /nfs/dbraw/zinc/88/80/82/573888082.db2.gz XMSIMPZZNRRBPH-UHFFFAOYSA-N 0 0 191.205 2.592 10 0 AFAERN CC(C)(C)[C@H](O)C[Si](C)(C)C 238180025 573888095 /nfs/dbraw/zinc/88/80/95/573888095.db2.gz CCZLFXQILDZIPU-MRVPVSSYSA-N 0 0 174.360 2.732 10 0 AFAERN CC(C)[C@@H](O)C/C=C\c1ccoc1 215407668 573888098 /nfs/dbraw/zinc/88/80/98/573888098.db2.gz JOHCOFXRAINGRC-BYCRGOAPSA-N 0 0 180.247 2.700 10 0 AFAERN CC(=O)[C@H](C)[C@@H](C)CC(C)C 238179665 573888172 /nfs/dbraw/zinc/88/81/72/573888172.db2.gz VVRNSQQMOYGBGF-DTWKUNHWSA-N 0 0 156.269 2.894 10 0 AFAERN CO[C@H](C)c1cccc(C(C)(C)O)c1 259579487 573888423 /nfs/dbraw/zinc/88/84/23/573888423.db2.gz YBGLXPDOJDGWOX-SECBINFHSA-N 0 0 194.274 2.621 10 0 AFAERN COC(=O)Sc1cccc(C)c1 259220433 573889370 /nfs/dbraw/zinc/88/93/70/573889370.db2.gz MFEUVZOEUGQKNL-UHFFFAOYSA-N 0 0 182.244 2.854 10 0 AFAERN CCSc1ccc(O)c(C)c1 80299696 573888449 /nfs/dbraw/zinc/88/84/49/573888449.db2.gz JWSTUXKSAUURKX-UHFFFAOYSA-N 0 0 168.261 2.813 10 0 AFAERN CO[C@@H](C)c1cccc(C(C)(C)O)c1 259579489 573888461 /nfs/dbraw/zinc/88/84/61/573888461.db2.gz YBGLXPDOJDGWOX-VIFPVBQESA-N 0 0 194.274 2.621 10 0 AFAERN CC[C@H](C)c1cc(OC)ccc1O 144910978 573888501 /nfs/dbraw/zinc/88/85/01/573888501.db2.gz UCRKXXXOUFMTOC-QMMMGPOBSA-N 0 0 180.247 2.914 10 0 AFAERN CSCCCC(C)C 80176653 573888516 /nfs/dbraw/zinc/88/85/16/573888516.db2.gz UIJWWBYABGKJFA-UHFFFAOYSA-N 0 0 132.272 2.786 10 0 AFAERN Clc1nc(C2CC2)nc2ccoc12 238562050 573888711 /nfs/dbraw/zinc/88/87/11/573888711.db2.gz GXTVVCHNQCFDOM-UHFFFAOYSA-N 0 0 194.621 2.754 10 0 AFAERN c1ccc(Sc2ncc[nH]2)cc1 80232135 573888720 /nfs/dbraw/zinc/88/87/20/573888720.db2.gz FPLYMSUAUOSKLM-UHFFFAOYSA-N 0 0 176.244 2.561 10 0 AFAERN CCC(=O)[C@H](C)Cc1ccc(F)cc1 41206665 573888736 /nfs/dbraw/zinc/88/87/36/573888736.db2.gz WIZHZUCZWMXDLN-SECBINFHSA-N 0 0 194.249 2.983 10 0 AFAERN Cc1cc(-c2ccccc2)[nH]c1C=O 144905473 573888818 /nfs/dbraw/zinc/88/88/18/573888818.db2.gz QPGFZBWXHCKTNV-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN CC/C(C)=C/[C@H]1C[C@@H]1C(C)=O 238180330 573888838 /nfs/dbraw/zinc/88/88/38/573888838.db2.gz CWRCKLZYVVMNLQ-IUUOVRRDSA-N 0 0 152.237 2.568 10 0 AFAERN CC(=O)[C@@H](C)[C@@H](C)CC(C)C 238179845 573888918 /nfs/dbraw/zinc/88/89/18/573888918.db2.gz VVRNSQQMOYGBGF-IUCAKERBSA-N 0 0 156.269 2.894 10 0 AFAERN CC1=C[C@@H]2C[C@@]23CCCCC(=O)[C@@H]13 238179183 573888959 /nfs/dbraw/zinc/88/89/59/573888959.db2.gz GJZSCPAQFBRDNU-JLLWLGSASA-N 0 0 176.259 2.712 10 0 AFAERN CCCCC[C@H]([NH2+]CC)c1ncc[nH]1 87341975 573889002 /nfs/dbraw/zinc/88/90/02/573889002.db2.gz OKIQYSKROUSFJM-JTQLQIEISA-N 0 0 195.310 2.641 10 0 AFAERN CCC[C@@H](O)[C@H](CC)OC(C)(C)C 44226627 573889012 /nfs/dbraw/zinc/88/90/12/573889012.db2.gz VWQOKZQBMVQLDF-ZJUUUORDSA-N 0 0 188.311 2.741 10 0 AFAERN CCCCCCO[C@@H](C)[C@H](O)CC 44229414 573889039 /nfs/dbraw/zinc/88/90/39/573889039.db2.gz VSGXZWGBJPGHMV-WDEREUQCSA-N 0 0 188.311 2.743 10 0 AFAERN CCC[C@@H](C)[C@H](O)c1cccc(N)c1 233282228 573889394 /nfs/dbraw/zinc/88/93/94/573889394.db2.gz NHDALCZXFVCAQM-SKDRFNHKSA-N 0 0 193.290 2.738 10 0 AFAERN CCCC[C@H](O)[C@@H](C)C(C)C 144793709 573889068 /nfs/dbraw/zinc/88/90/68/573889068.db2.gz DCQBPJNCROSLEX-UWVGGRQHSA-N 0 0 158.285 2.830 10 0 AFAERN CCO[C@H](CC)[C@@H](O)c1ccccc1 44193133 573889082 /nfs/dbraw/zinc/88/90/82/573889082.db2.gz SRMPTILWINEQIM-NEPJUHHUSA-N 0 0 194.274 2.535 10 0 AFAERN C/C(=C/Br)c1cccnc1 102100158 573889123 /nfs/dbraw/zinc/88/91/23/573889123.db2.gz CYAMQYLLONWCDT-ALCCZGGFSA-N 0 0 198.063 2.837 10 0 AFAERN COc1ccnc2c(F)cc(F)cc12 102196403 573889181 /nfs/dbraw/zinc/88/91/81/573889181.db2.gz WDADDDZSXLFLMM-UHFFFAOYSA-N 0 0 195.168 2.522 10 0 AFAERN CC(C)(C)OC[C@H](O)c1ccccc1 44227130 573889194 /nfs/dbraw/zinc/88/91/94/573889194.db2.gz MUJBFEMVKIDSMV-NSHDSACASA-N 0 0 194.274 2.535 10 0 AFAERN Fc1ccccc1N[C@@H]1CCCCO1 238562518 573892235 /nfs/dbraw/zinc/89/22/35/573892235.db2.gz YUJMNQASGLCLBF-NSHDSACASA-N 0 0 195.237 2.764 10 0 AFAERN CC1CCC(Nc2cnco2)CC1 76604200 573894225 /nfs/dbraw/zinc/89/42/25/573894225.db2.gz YAAXGIBCPQSODV-UHFFFAOYSA-N 0 0 180.251 2.665 10 0 AFAERN CCc1ccnc(CC)c1CC 102247043 573892249 /nfs/dbraw/zinc/89/22/49/573892249.db2.gz WBDPKZCMVAISAL-UHFFFAOYSA-N 0 0 163.264 2.769 10 0 AFAERN FC(F)(F)c1nc(C2CCC2)c[nH]1 259223582 573892252 /nfs/dbraw/zinc/89/22/52/573892252.db2.gz ZPUIJZPTPHQVON-UHFFFAOYSA-N 0 0 190.168 2.696 10 0 AFAERN C[C@@H]1SC[C@H](O)c2ccccc21 125382427 573892255 /nfs/dbraw/zinc/89/22/55/573892255.db2.gz NWQXYJWGGKIOGX-XVKPBYJWSA-N 0 0 180.272 2.528 10 0 AFAERN CCCCOC[C@H](O)c1ccccc1 44235472 573892274 /nfs/dbraw/zinc/89/22/74/573892274.db2.gz OTVMOLZVFCISJO-LBPRGKRZSA-N 0 0 194.274 2.537 10 0 AFAERN Cc1cc(C)c2c(c1)CSC[C@H]2O 125380653 573892277 /nfs/dbraw/zinc/89/22/77/573892277.db2.gz QJMKBCZIBQOKBJ-SNVBAGLBSA-N 0 0 194.299 2.584 10 0 AFAERN C[C@@H](CO)c1cccc(F)c1Cl 258173911 573892280 /nfs/dbraw/zinc/89/22/80/573892280.db2.gz WDNVUFXYEQSSSY-LURJTMIESA-N 0 0 188.629 2.575 10 0 AFAERN CC(C)c1nc(Cl)ccc1O 238180961 573891628 /nfs/dbraw/zinc/89/16/28/573891628.db2.gz ALTPTROHAMDMQW-UHFFFAOYSA-N 0 0 171.627 2.564 10 0 AFAERN CC[C@@H](O)[C@@H](C)Oc1cccc(C)c1 44211723 573891636 /nfs/dbraw/zinc/89/16/36/573891636.db2.gz YOXBYSJTRXDIOQ-ZYHUDNBSSA-N 0 0 194.274 2.533 10 0 AFAERN CC(C)(C)[C@H](O)[C@@H]1[C@H]2CCCC[C@H]21 238180734 573891684 /nfs/dbraw/zinc/89/16/84/573891684.db2.gz PZKCOEWMZNPNJK-VPOLOUISSA-N 0 0 182.307 2.830 10 0 AFAERN OC1(CCc2ccc(F)cc2)CCC1 257894387 573891688 /nfs/dbraw/zinc/89/16/88/573891688.db2.gz CTYKBENLYRUNNW-UHFFFAOYSA-N 0 0 194.249 2.673 10 0 AFAERN CC[C@@H](O)[C@@H](C)Oc1ccccc1C 44212151 573891722 /nfs/dbraw/zinc/89/17/22/573891722.db2.gz ZRCZQSORMRNVOT-GHMZBOCLSA-N 0 0 194.274 2.533 10 0 AFAERN Cc1cc(C)cc(-c2ccc(N)nc2)c1 41209411 573891835 /nfs/dbraw/zinc/89/18/35/573891835.db2.gz YKSCCTXHONDMQB-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Nc1c(-c2ccccc2)noc1Cl 238562856 573891858 /nfs/dbraw/zinc/89/18/58/573891858.db2.gz WAONXDILHKVAGI-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CC(C)(C)[C@H](O)[C@@H]1C=CC=CCC1 238180993 573891866 /nfs/dbraw/zinc/89/18/66/573891866.db2.gz ICTCIOPSBMKHHM-GHMZBOCLSA-N 0 0 180.291 2.916 10 0 AFAERN Cc1ccc(C)c(NC2CC2)c1 76593996 573891946 /nfs/dbraw/zinc/89/19/46/573891946.db2.gz IUACGMKYAMRNTI-UHFFFAOYSA-N 0 0 161.248 2.878 10 0 AFAERN CCO[C@H](CC)[C@H](O)c1ccccc1 44193127 573893137 /nfs/dbraw/zinc/89/31/37/573893137.db2.gz SRMPTILWINEQIM-VXGBXAGGSA-N 0 0 194.274 2.535 10 0 AFAERN CC(C)(C)OC[C@@H](O)c1ccccc1 44227135 573891984 /nfs/dbraw/zinc/89/19/84/573891984.db2.gz MUJBFEMVKIDSMV-LLVKDONJSA-N 0 0 194.274 2.535 10 0 AFAERN O=C1Cc2cccc(Cl)c2N1 102184056 573892129 /nfs/dbraw/zinc/89/21/29/573892129.db2.gz BGSCQOLGXHVFGS-UHFFFAOYSA-N 0 0 167.595 2.527 10 0 AFAERN CC[C@@H](O)[C@H](C)Oc1ccccc1C 44212157 573892107 /nfs/dbraw/zinc/89/21/07/573892107.db2.gz ZRCZQSORMRNVOT-WDEREUQCSA-N 0 0 194.274 2.533 10 0 AFAERN CCC[C@@H](C)[C@H](CC1CCCC1)NN 131594441 573892114 /nfs/dbraw/zinc/89/21/14/573892114.db2.gz BUCWWLLUFHYSHN-PWSUYJOCSA-N 0 0 198.354 2.835 10 0 AFAERN Cc1coc2cccc(C=O)c12 76593646 573892409 /nfs/dbraw/zinc/89/24/09/573892409.db2.gz IGFPKGZNYIOGPC-UHFFFAOYSA-N 0 0 160.172 2.554 10 0 AFAERN CC(C)(C)[C@H](O)[C@H]1C=CCCC1 238180656 573892448 /nfs/dbraw/zinc/89/24/48/573892448.db2.gz RQXITFKCJJUNHR-VHSXEESVSA-N 0 0 168.280 2.750 10 0 AFAERN CC[C@@H](O)[C@@H](C)OCCCC(C)C 44228058 573892454 /nfs/dbraw/zinc/89/24/54/573892454.db2.gz PJCPJPMJQUUOAE-GHMZBOCLSA-N 0 0 188.311 2.599 10 0 AFAERN CC(C)c1nc(Cl)ccc1C=O 238180892 573892501 /nfs/dbraw/zinc/89/25/01/573892501.db2.gz MEYAJSGODFQBEE-UHFFFAOYSA-N 0 0 183.638 2.671 10 0 AFAERN CC[C@@H](C)OC[C@@H](O)c1ccccc1 44236693 573892504 /nfs/dbraw/zinc/89/25/04/573892504.db2.gz XHBQPDDNJWHZJM-ZYHUDNBSSA-N 0 0 194.274 2.535 10 0 AFAERN CC[C@@H]1CC(=O)Nc2ccc(F)cc21 257894859 573892527 /nfs/dbraw/zinc/89/25/27/573892527.db2.gz XUFIUPGNICFYPD-SSDOTTSWSA-N 0 0 193.221 2.662 10 0 AFAERN CC[C@H](C)OC[C@H](O)c1ccccc1 44236690 573892531 /nfs/dbraw/zinc/89/25/31/573892531.db2.gz XHBQPDDNJWHZJM-JQWIXIFHSA-N 0 0 194.274 2.535 10 0 AFAERN CC1CCC([C@H](O)C2CC2)CC1 80362581 573892545 /nfs/dbraw/zinc/89/25/45/573892545.db2.gz LNJWVIPAWPTIHT-AMUVOQDHSA-N 0 0 168.280 2.584 10 0 AFAERN CC[C@H](O)[C@@H](C)Oc1ccc(C)cc1 44216681 573892548 /nfs/dbraw/zinc/89/25/48/573892548.db2.gz BUPXOFPGBLBZAL-PWSUYJOCSA-N 0 0 194.274 2.533 10 0 AFAERN CCC(CC)Nc1nc(C)co1 76596757 573892610 /nfs/dbraw/zinc/89/26/10/573892610.db2.gz USUUEYAROJNVDQ-UHFFFAOYSA-N 0 0 168.240 2.584 10 0 AFAERN CC1([C@](C)(O)Cc2ccsc2)CC1 87365333 573892634 /nfs/dbraw/zinc/89/26/34/573892634.db2.gz UAQZJISNCHUFCS-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN CCCCCCO[C@H](C)[C@@H](O)CC 44229427 573892667 /nfs/dbraw/zinc/89/26/67/573892667.db2.gz VSGXZWGBJPGHMV-MNOVXSKESA-N 0 0 188.311 2.743 10 0 AFAERN O[C@@H]1CC[C@@H]2CCCCC[C@H]2C1 76596820 573893166 /nfs/dbraw/zinc/89/31/66/573893166.db2.gz DVAMMVKOCADBBG-GARJFASQSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1nc(Cl)nc(C(C)C)c1C 238181007 573892750 /nfs/dbraw/zinc/89/27/50/573892750.db2.gz WZGUGHXGRJNKGV-UHFFFAOYSA-N 0 0 184.670 2.870 10 0 AFAERN Fc1ccccc1N[C@H]1CCCCO1 238562778 573892766 /nfs/dbraw/zinc/89/27/66/573892766.db2.gz YUJMNQASGLCLBF-LLVKDONJSA-N 0 0 195.237 2.764 10 0 AFAERN CCC(=O)[C@@H](C)CC(F)(F)F 76596399 573892776 /nfs/dbraw/zinc/89/27/76/573892776.db2.gz UKIFDUWFMNZESG-YFKPBYRVSA-N 0 0 168.158 2.554 10 0 AFAERN CO[C@@](C)(CCO)CCC=C(C)C 238375145 573892825 /nfs/dbraw/zinc/89/28/25/573892825.db2.gz DXYFSGILZYOSBT-LLVKDONJSA-N 0 0 186.295 2.520 10 0 AFAERN CC(C)CCc1cccc(O)c1N 257894793 573892837 /nfs/dbraw/zinc/89/28/37/573892837.db2.gz OAOGHNQDEFHUPT-UHFFFAOYSA-N 0 0 179.263 2.563 10 0 AFAERN CCSCC[C@H](CC)[C@@H](C)O 123013282 573892838 /nfs/dbraw/zinc/89/28/38/573892838.db2.gz SQDBMTPZFJCRBM-BDAKNGLRSA-N 0 0 176.325 2.537 10 0 AFAERN Cc1cc2cccc(CCCO)c2o1 258173891 573892879 /nfs/dbraw/zinc/89/28/79/573892879.db2.gz WDJLXEVIKCYIDS-UHFFFAOYSA-N 0 0 190.242 2.666 10 0 AFAERN Cc1cccc2oc(C(C)(C)O)cc12 257894646 573892893 /nfs/dbraw/zinc/89/28/93/573892893.db2.gz LPOCAIFOECZMRG-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN CC[C@@H](O)[C@@H](C)Oc1ccc(C)cc1 44216684 573892928 /nfs/dbraw/zinc/89/29/28/573892928.db2.gz BUPXOFPGBLBZAL-ZYHUDNBSSA-N 0 0 194.274 2.533 10 0 AFAERN CC[C@@H](O)[C@@H]1C=Cc2ccccc21 80316113 573892936 /nfs/dbraw/zinc/89/29/36/573892936.db2.gz YQNQMGRTYJPXSB-VXGBXAGGSA-N 0 0 174.243 2.568 10 0 AFAERN CCO[C@@H](CC)[C@@H](O)c1ccccc1 44193130 573892969 /nfs/dbraw/zinc/89/29/69/573892969.db2.gz SRMPTILWINEQIM-RYUDHWBXSA-N 0 0 194.274 2.535 10 0 AFAERN Cc1ccc(NC2CC2)c(C)c1 76593989 573893047 /nfs/dbraw/zinc/89/30/47/573893047.db2.gz QDCDSIZBBDGILG-UHFFFAOYSA-N 0 0 161.248 2.878 10 0 AFAERN CCC(=O)[C@H](C)CC(F)(F)F 76596401 573893173 /nfs/dbraw/zinc/89/31/73/573893173.db2.gz UKIFDUWFMNZESG-RXMQYKEDSA-N 0 0 168.158 2.554 10 0 AFAERN CC[C@H](O)[C@@H]1C=Cc2ccccc21 80316108 573894208 /nfs/dbraw/zinc/89/42/08/573894208.db2.gz YQNQMGRTYJPXSB-NEPJUHHUSA-N 0 0 174.243 2.568 10 0 AFAERN CCc1cc(Cl)cc2c1OCO2 145046321 573893949 /nfs/dbraw/zinc/89/39/49/573893949.db2.gz DLFPDYAZVWIXIW-UHFFFAOYSA-N 0 0 184.622 2.631 10 0 AFAERN CCC[C@@H](C)[C@@H](CC1CCCC1)NN 131594066 573894058 /nfs/dbraw/zinc/89/40/58/573894058.db2.gz BUCWWLLUFHYSHN-ZYHUDNBSSA-N 0 0 198.354 2.835 10 0 AFAERN CCCC(=O)CCCCOCC 80384092 573894111 /nfs/dbraw/zinc/89/41/11/573894111.db2.gz YEHXKFLAJCEHJX-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN Cc1cc2c(cc1C)NCCCN2 76601639 573894405 /nfs/dbraw/zinc/89/44/05/573894405.db2.gz MJEOOLOBTFTZFC-UHFFFAOYSA-N 0 0 176.263 2.531 10 0 AFAERN CC1([C@@](C)(O)Cc2ccsc2)CC1 87365334 573894431 /nfs/dbraw/zinc/89/44/31/573894431.db2.gz UAQZJISNCHUFCS-NSHDSACASA-N 0 0 196.315 2.842 10 0 AFAERN CC1=CC[C@]23CCC[C@H]2CC(=O)[C@@H]13 238174883 573894537 /nfs/dbraw/zinc/89/45/37/573894537.db2.gz WHDUKFMAWRUGTQ-MVWJERBFSA-N 0 0 176.259 2.712 10 0 AFAERN C[C@H](CO)c1cccc(F)c1Cl 258173913 573894578 /nfs/dbraw/zinc/89/45/78/573894578.db2.gz WDNVUFXYEQSSSY-ZCFIWIBFSA-N 0 0 188.629 2.575 10 0 AFAERN CCOc1ccccc1NC1CC1 76602287 573894610 /nfs/dbraw/zinc/89/46/10/573894610.db2.gz OBNCGPCKBIWNGC-UHFFFAOYSA-N 0 0 177.247 2.660 10 0 AFAERN CC(=O)[C@@H]1CC=C[C@@H]2CCC[C@@H]21 238174699 573894625 /nfs/dbraw/zinc/89/46/25/573894625.db2.gz VJSBQUFISVTOIP-VWYCJHECSA-N 0 0 164.248 2.568 10 0 AFAERN Nc1cnccc1[C@@H]1CCCCS1 258174162 573894642 /nfs/dbraw/zinc/89/46/42/573894642.db2.gz UNXACXZXOYABEN-JTQLQIEISA-N 0 0 194.303 2.622 10 0 AFAERN CC1([C@](C)(O)Cc2cccs2)CC1 87365436 573894643 /nfs/dbraw/zinc/89/46/43/573894643.db2.gz CKXHBGGUSCAPLA-LLVKDONJSA-N 0 0 196.315 2.842 10 0 AFAERN Cc1ccc(N)cc1NCC1(C)CC1 235762762 573894691 /nfs/dbraw/zinc/89/46/91/573894691.db2.gz DKYSPMCGYZENEM-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CC1=CCc2ccccc2N1 238175141 573894723 /nfs/dbraw/zinc/89/47/23/573894723.db2.gz YYAHRQLKMNJXBN-UHFFFAOYSA-N 0 0 145.205 2.558 10 0 AFAERN O[C@@H]1CC[C@H](Cc2cccc(F)c2)C1 80475723 573897362 /nfs/dbraw/zinc/89/73/62/573897362.db2.gz NKYNXAHZUYDFDO-ZYHUDNBSSA-N 0 0 194.249 2.529 10 0 AFAERN CC1(C)C=C[C@@]2(C)C(=O)CC[C@@H]12 238174642 573896834 /nfs/dbraw/zinc/89/68/34/573896834.db2.gz HPSIMPAZMJPTEI-GZMMTYOYSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)[C@@H]1CC[C@@H]2CCC=C[C@@]21C 238175223 573897370 /nfs/dbraw/zinc/89/73/70/573897370.db2.gz DFHGDBQJSKDSFW-SRVKXCTJSA-N 0 0 178.275 2.958 10 0 AFAERN CC1=CC[C@]23CCC[C@@H]2CC(=O)[C@@H]13 238174858 573896864 /nfs/dbraw/zinc/89/68/64/573896864.db2.gz WHDUKFMAWRUGTQ-YUSALJHKSA-N 0 0 176.259 2.712 10 0 AFAERN Cc1coc2ccc([C@@H](C)O)cc12 257902031 573896936 /nfs/dbraw/zinc/89/69/36/573896936.db2.gz AQIHOGXYRHJJHP-MRVPVSSYSA-N 0 0 176.215 2.795 10 0 AFAERN OCC1(C2CCCC2)CCCC1 102317444 573896949 /nfs/dbraw/zinc/89/69/49/573896949.db2.gz VHCZBAHJMLGMNH-UHFFFAOYSA-N 0 0 168.280 2.729 10 0 AFAERN CC(=O)CCc1cc(C)cc(F)c1 84446248 573896989 /nfs/dbraw/zinc/89/69/89/573896989.db2.gz QZFXAAUXBNHYMQ-UHFFFAOYSA-N 0 0 180.222 2.656 10 0 AFAERN Cc1ccc(ON)c(C(C)(C)C)c1 76603439 573897038 /nfs/dbraw/zinc/89/70/38/573897038.db2.gz DALVVGDPSCXFLH-UHFFFAOYSA-N 0 0 179.263 2.545 10 0 AFAERN CNc1nc(-c2ccc(C)o2)c(C)o1 259223802 573897054 /nfs/dbraw/zinc/89/70/54/573897054.db2.gz RPUNNOKCMNABFH-UHFFFAOYSA-N 0 0 192.218 2.593 10 0 AFAERN O=Cc1occc1-c1ccccc1F 102300671 573897106 /nfs/dbraw/zinc/89/71/06/573897106.db2.gz DYBFQRGSQKFCDU-UHFFFAOYSA-N 0 0 190.173 2.898 10 0 AFAERN CC(=O)[C@@H]1CC=C2CCC[C@H]2C1 238174665 573897115 /nfs/dbraw/zinc/89/71/15/573897115.db2.gz ZWZRDTKZZVFIBH-MNOVXSKESA-N 0 0 164.248 2.712 10 0 AFAERN Cn1ccc(N)c1C1CCCCC1 76602902 573897689 /nfs/dbraw/zinc/89/76/89/573897689.db2.gz ILKGTFDOQVDMON-UHFFFAOYSA-N 0 0 178.279 2.655 10 0 AFAERN CSCC1(c2cccnc2)CCC1 716347096 573897244 /nfs/dbraw/zinc/89/72/44/573897244.db2.gz NLSOGNRCOFYRQI-UHFFFAOYSA-N 0 0 193.315 2.866 10 0 AFAERN Cc1nc(COc2ccccc2)co1 258175340 573897295 /nfs/dbraw/zinc/89/72/95/573897295.db2.gz MMAXRBNNQGIMIL-UHFFFAOYSA-N 0 0 189.214 2.562 10 0 AFAERN CC(=O)[C@@H]1CC[C@@H]2CC=CC[C@@H]21 238175199 573897389 /nfs/dbraw/zinc/89/73/89/573897389.db2.gz XBVAQUJKERMSBR-DCAQKATOSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccc(NC2CSC2)cc1 76603617 573897394 /nfs/dbraw/zinc/89/73/94/573897394.db2.gz TXQFJDFFNUWJRE-UHFFFAOYSA-N 0 0 179.288 2.522 10 0 AFAERN CC(C)C[C@@H]1CCC[C@H](O)C1 80476313 573897406 /nfs/dbraw/zinc/89/74/06/573897406.db2.gz LYHIQWAZIHHKEN-UWVGGRQHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(=O)[C@@H]1CCC[C@H]2CCC[C@@H]21 238175133 573897437 /nfs/dbraw/zinc/89/74/37/573897437.db2.gz PWPLHSBCSVAHAU-DCAQKATOSA-N 0 0 166.264 2.792 10 0 AFAERN Cc1cc(C(C)(C)C)ccc1CON 84454321 573897573 /nfs/dbraw/zinc/89/75/73/573897573.db2.gz ILDUJIWLBDYTBA-UHFFFAOYSA-N 0 0 193.290 2.683 10 0 AFAERN CC(F)(F)Oc1cccc2c1NCC2 257902521 573897574 /nfs/dbraw/zinc/89/75/74/573897574.db2.gz DSVQJHNXNRHQTD-UHFFFAOYSA-N 0 0 199.200 2.646 10 0 AFAERN O[C@H]1CC[C@@H](Cc2cccc(F)c2)C1 80475710 573897641 /nfs/dbraw/zinc/89/76/41/573897641.db2.gz NKYNXAHZUYDFDO-JQWIXIFHSA-N 0 0 194.249 2.529 10 0 AFAERN CNSc1cc(C)c(OC)cc1C 259228129 573897646 /nfs/dbraw/zinc/89/76/46/573897646.db2.gz NAFSBDUDSSWLCL-UHFFFAOYSA-N 0 0 197.303 2.539 10 0 AFAERN CC(C)c1coc2cccnc12 238175600 573899670 /nfs/dbraw/zinc/89/96/70/573899670.db2.gz PPFSDCZSDMHGIG-UHFFFAOYSA-N 0 0 161.204 2.951 10 0 AFAERN CC(C)(C)Cc1ccc(O)c(C=O)c1 257902816 573900084 /nfs/dbraw/zinc/90/00/84/573900084.db2.gz YYUIVFKYRFHSBN-UHFFFAOYSA-N 0 0 192.258 2.793 10 0 AFAERN CC1([C@@](C)(O)c2cccs2)CC1 87365790 573900093 /nfs/dbraw/zinc/90/00/93/573900093.db2.gz FEKFPWAPGSGBNJ-JTQLQIEISA-N 0 0 182.288 2.756 10 0 AFAERN CC[C@]1(C(=O)OC)CC12CCCCC2 259578752 573900099 /nfs/dbraw/zinc/90/00/99/573900099.db2.gz KBUUPVRRUJFMRC-GFCCVEGCSA-N 0 0 196.290 2.910 10 0 AFAERN CC(C)(C)CC[C@](C)(O)C1=CCCO1 308461126 573899589 /nfs/dbraw/zinc/89/95/89/573899589.db2.gz GFILBSYGDRWSCP-LBPRGKRZSA-N 0 0 198.306 2.868 10 0 AFAERN Clc1cnnc(C2CCCCC2)n1 259224099 573899496 /nfs/dbraw/zinc/89/94/96/573899496.db2.gz OITADAYYIAYFBS-UHFFFAOYSA-N 0 0 197.669 2.573 10 0 AFAERN CCC(C)(C)[C@@H](O)c1ccccc1O 238189859 573899516 /nfs/dbraw/zinc/89/95/16/573899516.db2.gz ZGTKKODCVYFINM-NSHDSACASA-N 0 0 194.274 2.862 10 0 AFAERN CC1([C@@](C)(O)c2ccsc2)CC1 87366094 573899522 /nfs/dbraw/zinc/89/95/22/573899522.db2.gz LIEHIPOTMMVHPJ-JTQLQIEISA-N 0 0 182.288 2.756 10 0 AFAERN CC(=O)[C@]1(C)C=C[C@H]2CC=C[C@@H]2C1 238190611 573899542 /nfs/dbraw/zinc/89/95/42/573899542.db2.gz TWZIPYZZBSXYHS-IJLUTSLNSA-N 0 0 176.259 2.734 10 0 AFAERN Cc1ccc2c(c1)N(C(C)C)CCN2 84452433 573899785 /nfs/dbraw/zinc/89/97/85/573899785.db2.gz NSOAIPYBDRQOOT-UHFFFAOYSA-N 0 0 190.290 2.635 10 0 AFAERN CC1([C@](C)(O)Cc2ccccc2)CC1 87365705 573899803 /nfs/dbraw/zinc/89/98/03/573899803.db2.gz SGNIOPBKCPFYJE-CYBMUJFWSA-N 0 0 190.286 2.780 10 0 AFAERN CC(C)[C@@H]1Oc2ccc(O)cc2S1 238190606 573899832 /nfs/dbraw/zinc/89/98/32/573899832.db2.gz YPKXSJPGKPFKLP-SNVBAGLBSA-N 0 0 196.271 2.859 10 0 AFAERN CC(=O)[C@@H]1CC[C@H]2CCC=C[C@@]21C 238175467 573899880 /nfs/dbraw/zinc/89/98/80/573899880.db2.gz DFHGDBQJSKDSFW-WOPDTQHZSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)=C[C@H]1C[C@H](C)CCC1=O 80631441 573906036 /nfs/dbraw/zinc/90/60/36/573906036.db2.gz WXFNQQGYFSXMDY-ZJUUUORDSA-N 0 0 166.264 2.958 10 0 AFAERN O[C@@H]1C[C@@H]2c3cccc4cccc(c34)[C@@H]21 308779835 573903433 /nfs/dbraw/zinc/90/34/33/573903433.db2.gz PDSHEYVCJYOTKD-BZPMIXESSA-N 0 0 196.249 2.785 10 0 AFAERN CC[C@@H](C)[NH2+]Cc1nc(C)sc1C 131564999 573903436 /nfs/dbraw/zinc/90/34/36/573903436.db2.gz IPUKTWITWHGUPO-SSDOTTSWSA-N 0 0 198.335 2.648 10 0 AFAERN CC1=NC(=O)OC1c1cccc(C)c1 257904056 573903519 /nfs/dbraw/zinc/90/35/19/573903519.db2.gz ZDAFQMIOZCEQBH-UHFFFAOYSA-N 0 0 189.214 2.664 10 0 AFAERN CC1(C)C(=O)C2(CCC2)C1(C)C 238191779 573903538 /nfs/dbraw/zinc/90/35/38/573903538.db2.gz USVOIAMKKXJNSP-UHFFFAOYSA-N 0 0 166.264 2.792 10 0 AFAERN CCC(C)(C)[C@@H]1C[C@@H](C)C1=O 238192448 573903549 /nfs/dbraw/zinc/90/35/49/573903549.db2.gz FJXCQLROJFIVIK-HTQZYQBOSA-N 0 0 154.253 2.648 10 0 AFAERN CC(=O)CNc1ccc2ccccc2c1 258998600 573903727 /nfs/dbraw/zinc/90/37/27/573903727.db2.gz YNKYRFCUEHRXDS-UHFFFAOYSA-N 0 0 199.253 2.841 10 0 AFAERN CC(C)c1noc2cc(N)ccc12 238191435 573903741 /nfs/dbraw/zinc/90/37/41/573903741.db2.gz UHTBFKDJQZQAKY-UHFFFAOYSA-N 0 0 176.219 2.533 10 0 AFAERN Cc1ccc(C)n1N[C@@H]1C=CCCC1 235787329 573903754 /nfs/dbraw/zinc/90/37/54/573903754.db2.gz ATGQLTIAMFSWIM-GFCCVEGCSA-N 0 0 190.290 2.757 10 0 AFAERN CC1(C)CC=C[C@H]2[C@H](C1=O)C2(C)C 238192602 573903767 /nfs/dbraw/zinc/90/37/67/573903767.db2.gz DABINSYMTFGOFU-DTWKUNHWSA-N 0 0 178.275 2.814 10 0 AFAERN CC1(C)CC=C[C@H]2[C@@H](C1=O)C2(C)C 238192585 573903785 /nfs/dbraw/zinc/90/37/85/573903785.db2.gz DABINSYMTFGOFU-IUCAKERBSA-N 0 0 178.275 2.814 10 0 AFAERN CC[C@H](Cc1ccccc1)[C@@H](C)O 44469709 573903821 /nfs/dbraw/zinc/90/38/21/573903821.db2.gz VQIIOVRPLODBPE-ZYHUDNBSSA-N 0 0 178.275 2.636 10 0 AFAERN CC1=N[C@@H](c2ccc(O)cc2)SC1 238192342 573903840 /nfs/dbraw/zinc/90/38/40/573903840.db2.gz MZUBCRZEMPXUBJ-SNVBAGLBSA-N 0 0 193.271 2.599 10 0 AFAERN CC1(C)CC=C[C@@H]2[C@@H](C1=O)C2(C)C 238192036 573903918 /nfs/dbraw/zinc/90/39/18/573903918.db2.gz DABINSYMTFGOFU-BDAKNGLRSA-N 0 0 178.275 2.814 10 0 AFAERN Cc1cc2cccc(C(C)(C)O)c2o1 258177622 573905031 /nfs/dbraw/zinc/90/50/31/573905031.db2.gz SNBLTQZTIAWBEK-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN CC(C)[C@H]1CCc2cccc(O)c2N1 238192353 573905172 /nfs/dbraw/zinc/90/51/72/573905172.db2.gz IIWQJFXMBRKGPO-SNVBAGLBSA-N 0 0 191.274 2.775 10 0 AFAERN Cc1cccc(CC(F)(F)F)c1N 257904245 573905287 /nfs/dbraw/zinc/90/52/87/573905287.db2.gz ZGSGBWSPLPWZRO-UHFFFAOYSA-N 0 0 189.180 2.682 10 0 AFAERN CCC(=O)C1(Cl)CCCC1 238191352 573905317 /nfs/dbraw/zinc/90/53/17/573905317.db2.gz JAWXCCXRRXYMFV-UHFFFAOYSA-N 0 0 160.644 2.517 10 0 AFAERN CC1(C)CCC(=CCO)CC1 238193066 573905338 /nfs/dbraw/zinc/90/53/38/573905338.db2.gz CHTZUTMTGHJEDN-UHFFFAOYSA-N 0 0 154.253 2.505 10 0 AFAERN CC1(C)CC=CC(C)(C)C(=O)C1 238191372 573905347 /nfs/dbraw/zinc/90/53/47/573905347.db2.gz QUORAOZJFLAJLR-UHFFFAOYSA-N 0 0 166.264 2.958 10 0 AFAERN CC1(C)C(=O)Cc2ccc(Cl)cc21 238192695 573905369 /nfs/dbraw/zinc/90/53/69/573905369.db2.gz IROOQBJWARWDKV-UHFFFAOYSA-N 0 0 194.661 2.743 10 0 AFAERN CC(C)(CF)c1cccc(O)c1 258521007 573905487 /nfs/dbraw/zinc/90/54/87/573905487.db2.gz MFYKWZTWCVYJKD-UHFFFAOYSA-N 0 0 168.211 2.639 10 0 AFAERN CCC(=O)C12CCCC1CCC2 238191524 573905511 /nfs/dbraw/zinc/90/55/11/573905511.db2.gz QJNFEYRXNXCDQK-UHFFFAOYSA-N 0 0 166.264 2.936 10 0 AFAERN CCC(C)(C)[C@@H]1CC[C@H](O)C1 238192345 573905528 /nfs/dbraw/zinc/90/55/28/573905528.db2.gz MYLBXJSJCIUZTM-BDAKNGLRSA-N 0 0 156.269 2.584 10 0 AFAERN CC1=NO[C@@](C)(Nc2ccccc2)C1 238191505 573905534 /nfs/dbraw/zinc/90/55/34/573905534.db2.gz IAAKALGXIPLYQO-LLVKDONJSA-N 0 0 190.246 2.611 10 0 AFAERN Cc1cc(Cl)ccc1[C@H]1C[C@H]1CO 235780601 573905585 /nfs/dbraw/zinc/90/55/85/573905585.db2.gz ZBRNZLSBEJPKSB-KWQFWETISA-N 0 0 196.677 2.744 10 0 AFAERN CC1(C)C(=O)Cc2cccc(Cl)c21 238192900 573905689 /nfs/dbraw/zinc/90/56/89/573905689.db2.gz VNIPERUDVBWYGX-UHFFFAOYSA-N 0 0 194.661 2.743 10 0 AFAERN CC1(C)CC=C[C@](C)(CCO)C1 238192698 573905797 /nfs/dbraw/zinc/90/57/97/573905797.db2.gz QGMFYMKUZXNCPU-LLVKDONJSA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)[C@](C)(C(N)=O)C1CCCCC1 238192746 573905807 /nfs/dbraw/zinc/90/58/07/573905807.db2.gz XIDXCYGXVASNMT-LBPRGKRZSA-N 0 0 197.322 2.714 10 0 AFAERN CCCC(=O)OCCCCCCF 308461665 573905901 /nfs/dbraw/zinc/90/59/01/573905901.db2.gz HSWVIRNSGAALIE-UHFFFAOYSA-N 0 0 190.258 2.860 10 0 AFAERN Cc1csc2c(CCO)cccc12 258177602 573905996 /nfs/dbraw/zinc/90/59/96/573905996.db2.gz SMPVRARFDVBZSP-UHFFFAOYSA-N 0 0 192.283 2.745 10 0 AFAERN CCSCCCC(=O)C(C)C 129587551 573905950 /nfs/dbraw/zinc/90/59/50/573905950.db2.gz UBWLMXSHOSLJBX-UHFFFAOYSA-N 0 0 174.309 2.745 10 0 AFAERN CC1(C)CCC(C)(C)C[C@H](O)C(=O)C1 238195452 573907714 /nfs/dbraw/zinc/90/77/14/573907714.db2.gz VWFMLVVMYRHHPS-VIFPVBQESA-N 0 0 198.306 2.543 10 0 AFAERN CCC(=O)CC=C(Cl)Cl 238195293 573907717 /nfs/dbraw/zinc/90/77/17/573907717.db2.gz RXMITRAVTVKCQY-UHFFFAOYSA-N 0 0 167.035 2.675 10 0 AFAERN Nc1c(Cl)[nH]c2ccc(F)cc12 76629824 573907889 /nfs/dbraw/zinc/90/78/89/573907889.db2.gz WALZVOHDTFIHEI-UHFFFAOYSA-N 0 0 184.601 2.543 10 0 AFAERN Clc1cccc2c1OC1(CC1)CN2 259232518 573907963 /nfs/dbraw/zinc/90/79/63/573907963.db2.gz MPGHKDJWCDICIO-UHFFFAOYSA-N 0 0 195.649 2.677 10 0 AFAERN CC(C)[C@@H]1C=C[C@@H]2CC(=O)C[C@@H]2C1 238195651 573907965 /nfs/dbraw/zinc/90/79/65/573907965.db2.gz MCPMTHWCECWQLZ-MXWKQRLJSA-N 0 0 178.275 2.814 10 0 AFAERN CCCCCC[C@H](C)C(=O)NCC 308462358 573908016 /nfs/dbraw/zinc/90/80/16/573908016.db2.gz HYJSRRFMTBQZFZ-JTQLQIEISA-N 0 0 185.311 2.729 10 0 AFAERN Nc1c(Cl)[nH]c2cccc(F)c12 76629816 573908218 /nfs/dbraw/zinc/90/82/18/573908218.db2.gz PXYXXNWWBIUGNG-UHFFFAOYSA-N 0 0 184.601 2.543 10 0 AFAERN CCC(C)(C)[C@H](O)c1ccccc1O 238194141 573909315 /nfs/dbraw/zinc/90/93/15/573909315.db2.gz ZGTKKODCVYFINM-LLVKDONJSA-N 0 0 194.274 2.862 10 0 AFAERN C[C@@H]1CCCc2sc(N)cc21 102917420 573909411 /nfs/dbraw/zinc/90/94/11/573909411.db2.gz DHUQVRLGQKPEKO-ZCFIWIBFSA-N 0 0 167.277 2.770 10 0 AFAERN O=Cc1cccc2c(C3CC3)noc12 257896677 573909466 /nfs/dbraw/zinc/90/94/66/573909466.db2.gz OGJVYGBCAUMEPT-UHFFFAOYSA-N 0 0 187.198 2.518 10 0 AFAERN Cc1ccc(-c2nc(Cl)c[nH]2)o1 258453832 573909602 /nfs/dbraw/zinc/90/96/02/573909602.db2.gz GMYHTEXECMRQEZ-UHFFFAOYSA-N 0 0 182.610 2.632 10 0 AFAERN CC1=Nc2ccccc2[C@@H](O)CC1 238195502 573909621 /nfs/dbraw/zinc/90/96/21/573909621.db2.gz DMMFJTJNZXGTBA-NSHDSACASA-N 0 0 175.231 2.606 10 0 AFAERN CC(C)[C@@H]1CC(=O)[C@]2(C)C[C@@H]2C1 238195699 573909775 /nfs/dbraw/zinc/90/97/75/573909775.db2.gz TZIIXMYXZDALBD-ATZCPNFKSA-N 0 0 166.264 2.648 10 0 AFAERN CC(C)SC(=O)NC(C)(C)C 238183259 573910736 /nfs/dbraw/zinc/91/07/36/573910736.db2.gz RIHOAUOMWASZKV-UHFFFAOYSA-N 0 0 175.297 2.636 10 0 AFAERN CC1=C[C@H]2CC(=O)C[C@@H]2C1(C)C 238183038 573910715 /nfs/dbraw/zinc/91/07/15/573910715.db2.gz GXDWVCQDYKLMES-WPRPVWTQSA-N 0 0 164.248 2.568 10 0 AFAERN C[C@H]1C[C@H]1c1nc2c(N)cccc2o1 87439603 573912680 /nfs/dbraw/zinc/91/26/80/573912680.db2.gz QVOVFUOAFFUYJF-NKWVEPMBSA-N 0 0 188.230 2.533 10 0 AFAERN CC[C@H](C)Oc1cccc(Cl)n1 84688963 573912681 /nfs/dbraw/zinc/91/26/81/573912681.db2.gz QGDNNBCLAJDHJX-ZETCQYMHSA-N 0 0 185.654 2.912 10 0 AFAERN Cc1ccc(/C=C\[C@H](C)O)cc1C 388454723 573912689 /nfs/dbraw/zinc/91/26/89/573912689.db2.gz TUKCTOXGKNQEQX-XOIDGJRKSA-N 0 0 176.259 2.697 10 0 AFAERN Cc1ccc(C=O)cc1-c1ccc[nH]1 235793048 573911597 /nfs/dbraw/zinc/91/15/97/573911597.db2.gz XVUOQVGCCNQOBE-UHFFFAOYSA-N 0 0 185.226 2.803 10 0 AFAERN CC(C)CC[C@@H]1CSCCC1=O 76632080 573911600 /nfs/dbraw/zinc/91/16/00/573911600.db2.gz VQWWVZFRXNCZPC-SECBINFHSA-N 0 0 186.320 2.745 10 0 AFAERN CCc1c(C)n(C)c2ccc(N)cc12 76633211 573911617 /nfs/dbraw/zinc/91/16/17/573911617.db2.gz DIRSOOWIYLJPGQ-UHFFFAOYSA-N 0 0 188.274 2.631 10 0 AFAERN Cc1cc(-c2ccnn2C)ccc1F 259229124 573911660 /nfs/dbraw/zinc/91/16/60/573911660.db2.gz MIASDRBTSORJLV-UHFFFAOYSA-N 0 0 190.221 2.535 10 0 AFAERN CCCCCN1CCCC(=O)C1(C)C 259581007 573911762 /nfs/dbraw/zinc/91/17/62/573911762.db2.gz ZIGBAOMFKSPVKG-UHFFFAOYSA-N 0 0 197.322 2.620 10 0 AFAERN CC(=O)[C@@]1(C)C=CCC1(C)C 238182449 573911772 /nfs/dbraw/zinc/91/17/72/573911772.db2.gz LZVRKTZJHJYYBN-SNVBAGLBSA-N 0 0 152.237 2.568 10 0 AFAERN C=COc1ccc(C)cc1C 80731451 573911775 /nfs/dbraw/zinc/91/17/75/573911775.db2.gz VTRYNSCEPFJVQI-UHFFFAOYSA-N 0 0 148.205 2.826 10 0 AFAERN CC(C)(C)[C@H]1CCC(=O)C[C@@H]1F 238183156 573911780 /nfs/dbraw/zinc/91/17/80/573911780.db2.gz HLPGAAUEIALSNZ-IUCAKERBSA-N 0 0 172.243 2.740 10 0 AFAERN CC(C)[C@@H]1C(=O)C[C@H](C)[C@@H]1C 238183849 573911786 /nfs/dbraw/zinc/91/17/86/573911786.db2.gz LAPLLOAQGLLMDQ-NRPADANISA-N 0 0 154.253 2.504 10 0 AFAERN C[C@H]1C[C@H]1c1nc(-c2ccccc2)n[nH]1 42013433 573911917 /nfs/dbraw/zinc/91/19/17/573911917.db2.gz WUKSISSYJZDICV-WCBMZHEXSA-N 0 0 199.257 2.595 10 0 AFAERN CC(C)C(=O)CSC(C)(C)C 84717719 573911930 /nfs/dbraw/zinc/91/19/30/573911930.db2.gz MBQAGVPIZQPSGK-UHFFFAOYSA-N 0 0 174.309 2.743 10 0 AFAERN CC[C@H](OC)C(=O)c1ccc(C)s1 131643474 573911960 /nfs/dbraw/zinc/91/19/60/573911960.db2.gz UBYZDURUNZBQKH-QMMMGPOBSA-N 0 0 198.287 2.664 10 0 AFAERN CC1(C)CC(=O)[C@@]2(C)CC=C[C@@H]12 238183218 573911965 /nfs/dbraw/zinc/91/19/65/573911965.db2.gz VFJKRODSDNVBHG-KWQFWETISA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cccc(N)c1NCC1(C)CC1 235799641 573911980 /nfs/dbraw/zinc/91/19/80/573911980.db2.gz BYRVKCJTIVVJTF-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CC1(C)CC(=O)[C@@]2(C)CCC[C@@H]12 238183267 573912756 /nfs/dbraw/zinc/91/27/56/573912756.db2.gz YTPAPKAYFGZYME-KWQFWETISA-N 0 0 166.264 2.792 10 0 AFAERN COCc1cc2cc(O)ccc2s1 257897701 573912064 /nfs/dbraw/zinc/91/20/64/573912064.db2.gz AOZFWHRXXQVIMW-UHFFFAOYSA-N 0 0 194.255 2.753 10 0 AFAERN C[C@@H]1C[C@@H]1c1nc(-c2ccccc2)n[nH]1 42013430 573912091 /nfs/dbraw/zinc/91/20/91/573912091.db2.gz WUKSISSYJZDICV-SCZZXKLOSA-N 0 0 199.257 2.595 10 0 AFAERN Cc1ccc(/C=C\[C@@H](C)O)cc1C 388454722 573912097 /nfs/dbraw/zinc/91/20/97/573912097.db2.gz TUKCTOXGKNQEQX-JPVGGKMYSA-N 0 0 176.259 2.697 10 0 AFAERN CCc1cccc(C(=O)OC(C)C)c1 44547502 573912233 /nfs/dbraw/zinc/91/22/33/573912233.db2.gz QIBGJTJEEGMHCC-UHFFFAOYSA-N 0 0 192.258 2.814 10 0 AFAERN CC1=C[C@H]2CC(=O)C[C@H]2C1(C)C 238183068 573912258 /nfs/dbraw/zinc/91/22/58/573912258.db2.gz GXDWVCQDYKLMES-WCBMZHEXSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C 238183730 573912268 /nfs/dbraw/zinc/91/22/68/573912268.db2.gz UDXHDVLMUTYBOB-QXEWZRGKSA-N 0 0 168.280 2.894 10 0 AFAERN C[C@H]1C[C@@H]1c1nc(-c2ccccc2)n[nH]1 42013431 573912292 /nfs/dbraw/zinc/91/22/92/573912292.db2.gz WUKSISSYJZDICV-WPRPVWTQSA-N 0 0 199.257 2.595 10 0 AFAERN OC1(C[C@H]2CCCCS2)CCC1 257897587 573912327 /nfs/dbraw/zinc/91/23/27/573912327.db2.gz DEKHSBSKASQRPI-SECBINFHSA-N 0 0 186.320 2.577 10 0 AFAERN CC(C)[C@@H]1CCc2ccc(N)cc2N1 238183530 573912372 /nfs/dbraw/zinc/91/23/72/573912372.db2.gz OCKQYBPOZUMYQE-NSHDSACASA-N 0 0 190.290 2.652 10 0 AFAERN Nc1ccc2c(C3CCC3)onc2c1 257897135 573912381 /nfs/dbraw/zinc/91/23/81/573912381.db2.gz YFEFAUQUDFKNDE-UHFFFAOYSA-N 0 0 188.230 2.678 10 0 AFAERN Cc1ccc([C@@H](C)F)cc1CCCO 258178994 573912412 /nfs/dbraw/zinc/91/24/12/573912412.db2.gz WJLJAEOKHJVXRZ-SNVBAGLBSA-N 0 0 196.265 2.950 10 0 AFAERN C[C@@H](CO)c1coc2cc(F)ccc12 257897917 573912472 /nfs/dbraw/zinc/91/24/72/573912472.db2.gz LZKYEBYBWBDEKE-ZETCQYMHSA-N 0 0 194.205 2.668 10 0 AFAERN CC12CC1(C(=O)c1ccccc1)C2 238183171 573912475 /nfs/dbraw/zinc/91/24/75/573912475.db2.gz WXGCXJXWKXCMII-UHFFFAOYSA-N 0 0 172.227 2.669 10 0 AFAERN Cc1ccc(C)n1N[C@H]1C=CCCC1 235786657 573912510 /nfs/dbraw/zinc/91/25/10/573912510.db2.gz ATGQLTIAMFSWIM-LBPRGKRZSA-N 0 0 190.290 2.757 10 0 AFAERN O[C@@H](c1cc[nH]c1)C1CCCCC1 84717850 573912590 /nfs/dbraw/zinc/91/25/90/573912590.db2.gz CGFXBXDFORVQMM-LLVKDONJSA-N 0 0 179.263 2.628 10 0 AFAERN CC(C)c1nc(CO)sc1C(C)C 257897301 573912620 /nfs/dbraw/zinc/91/26/20/573912620.db2.gz VJPOASICNMQYPS-UHFFFAOYSA-N 0 0 199.319 2.882 10 0 AFAERN C[C@H]1C[C@@H]1c1nc2c(N)cccc2o1 87439599 573912653 /nfs/dbraw/zinc/91/26/53/573912653.db2.gz QVOVFUOAFFUYJF-BQBZGAKWSA-N 0 0 188.230 2.533 10 0 AFAERN CC(C)CC[C@@H](O)c1ccc(F)nc1 686126259 573916104 /nfs/dbraw/zinc/91/61/04/573916104.db2.gz QPFBBRUXJSINCP-SNVBAGLBSA-N 0 0 197.253 2.690 10 0 AFAERN C[C@@H]1C[C@@H]1c1nc2c(N)cccc2o1 87439597 573916181 /nfs/dbraw/zinc/91/61/81/573916181.db2.gz QVOVFUOAFFUYJF-RQJHMYQMSA-N 0 0 188.230 2.533 10 0 AFAERN Fc1cc(Cl)cs1 145062593 573916367 /nfs/dbraw/zinc/91/63/67/573916367.db2.gz DAFAFVIZIFRLMW-UHFFFAOYSA-N 0 0 136.578 2.541 10 0 AFAERN CCc1ccc([C@@H](C)CO)cc1CC 258181756 573916377 /nfs/dbraw/zinc/91/63/77/573916377.db2.gz WPLQWKQIVSVWRE-JTQLQIEISA-N 0 0 192.302 2.907 10 0 AFAERN Cc1ccncc1C(=O)[C@@H]1CC1(C)C 235800971 573916390 /nfs/dbraw/zinc/91/63/90/573916390.db2.gz LJIUVIHKYNRAJE-JTQLQIEISA-N 0 0 189.258 2.619 10 0 AFAERN C[C@@H]1C[C@H]1c1nc2c(N)cccc2o1 87439601 573915752 /nfs/dbraw/zinc/91/57/52/573915752.db2.gz QVOVFUOAFFUYJF-RNFRBKRXSA-N 0 0 188.230 2.533 10 0 AFAERN Cc1ccc([C@@H](O)CC(C)C)o1 84739370 573916005 /nfs/dbraw/zinc/91/60/05/573916005.db2.gz AMWWRJZEXKEMIN-VIFPVBQESA-N 0 0 168.236 2.668 10 0 AFAERN CCCC1(CCC)CC(O)C1 87440035 573916020 /nfs/dbraw/zinc/91/60/20/573916020.db2.gz DTMVDJOHYWMMDV-UHFFFAOYSA-N 0 0 156.269 2.728 10 0 AFAERN C[C@H]1CC(SCCO)C[C@H](C)C1 84836643 573916406 /nfs/dbraw/zinc/91/64/06/573916406.db2.gz KMDCIZQWZQZXDG-RKDXNWHRSA-N 0 0 188.336 2.537 10 0 AFAERN C[C@H]1CC(CCCO)C[C@H](C)C1 84836757 573918214 /nfs/dbraw/zinc/91/82/14/573918214.db2.gz WGQVFMBXENOKPV-NXEZZACHSA-N 0 0 170.296 2.831 10 0 AFAERN CCC(CC)CC(=O)c1coc(C)n1 308463109 573918219 /nfs/dbraw/zinc/91/82/19/573918219.db2.gz GYDYGTZBVNIYAG-UHFFFAOYSA-N 0 0 195.262 2.992 10 0 AFAERN Cc1cc(-c2nc3ccccc3[nH]2)on1 44586811 573917411 /nfs/dbraw/zinc/91/74/11/573917411.db2.gz HBBYBOIQLKEJTI-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN Cc1cc(C)c2c(c1)NCC(C)(C)O2 84768878 573917412 /nfs/dbraw/zinc/91/74/12/573917412.db2.gz WXMCYHMZOWSMEE-UHFFFAOYSA-N 0 0 191.274 2.886 10 0 AFAERN Cc1nc2cc(C=O)ccc2c(C)c1C 257898478 573917563 /nfs/dbraw/zinc/91/75/63/573917563.db2.gz VNFNVPKFUXSBSN-UHFFFAOYSA-N 0 0 199.253 2.973 10 0 AFAERN Cc1cc(Cl)c(C)c(C[C@@H](C)O)c1 258180251 573917611 /nfs/dbraw/zinc/91/76/11/573917611.db2.gz QXSJRUYJKZGCIU-MRVPVSSYSA-N 0 0 198.693 2.880 10 0 AFAERN Cc1cc(CC(C)C)ccc1N 84736925 573917618 /nfs/dbraw/zinc/91/76/18/573917618.db2.gz KFBVSEVVPMCDAV-UHFFFAOYSA-N 0 0 163.264 2.776 10 0 AFAERN CN[C@H](C)C(F)(F)c1cccc(C)c1 257898462 573917654 /nfs/dbraw/zinc/91/76/54/573917654.db2.gz VMZSLCISCMUGIV-SECBINFHSA-N 0 0 199.244 2.695 10 0 AFAERN CC(C)c1cc(Cl)c(Cl)nn1 259581777 573917744 /nfs/dbraw/zinc/91/77/44/573917744.db2.gz YIUNSKXNCXBWTO-UHFFFAOYSA-N 0 0 191.061 2.907 10 0 AFAERN CC(C)C(=CCCO)C(C)C 238185297 573917781 /nfs/dbraw/zinc/91/77/81/573917781.db2.gz KBQVOUFQZCZNKE-UHFFFAOYSA-N 0 0 156.269 2.607 10 0 AFAERN Fc1ccc(Cl)s1 145061888 573917804 /nfs/dbraw/zinc/91/78/04/573917804.db2.gz JURCZDUBNGSUGQ-UHFFFAOYSA-N 0 0 136.578 2.541 10 0 AFAERN Cc1cc(N)ccc1CC(C)C 84736919 573917919 /nfs/dbraw/zinc/91/79/19/573917919.db2.gz YYWDZTWJZUSDQU-UHFFFAOYSA-N 0 0 163.264 2.776 10 0 AFAERN CSCc1c[nH]c2ccc(N)cc12 257899645 573917993 /nfs/dbraw/zinc/91/79/93/573917993.db2.gz AVKSHHNEEHBNET-UHFFFAOYSA-N 0 0 192.287 2.613 10 0 AFAERN CC(C)CC[C@H](O)c1ccc(F)nc1 686126258 573918098 /nfs/dbraw/zinc/91/80/98/573918098.db2.gz QPFBBRUXJSINCP-JTQLQIEISA-N 0 0 197.253 2.690 10 0 AFAERN Cc1cc(C)c2c(c1C)O[C@@H](C)C2 80873635 573918107 /nfs/dbraw/zinc/91/81/07/573918107.db2.gz XZTQWWZDVWHUKD-VIFPVBQESA-N 0 0 176.259 2.935 10 0 AFAERN Cc1cc(Cl)c(C)c(C[C@H](C)O)c1 258180255 573918155 /nfs/dbraw/zinc/91/81/55/573918155.db2.gz QXSJRUYJKZGCIU-QMMMGPOBSA-N 0 0 198.693 2.880 10 0 AFAERN CC(=O)[C@H]1CC=C(OC(C)C)CC1 238186353 573919215 /nfs/dbraw/zinc/91/92/15/573919215.db2.gz XBORUANPRAMLBN-JTQLQIEISA-N 0 0 182.263 2.684 10 0 AFAERN CC1=C2CC[C@H](O)C[C@H](C)[C@@H]2CC1 145075113 573919282 /nfs/dbraw/zinc/91/92/82/573919282.db2.gz ALRDYYAILTUINE-NHCYSSNCSA-N 0 0 180.291 2.894 10 0 AFAERN CC(=O)[C@@H]1CC=C(OC(C)C)CC1 238186310 573919398 /nfs/dbraw/zinc/91/93/98/573919398.db2.gz XBORUANPRAMLBN-SNVBAGLBSA-N 0 0 182.263 2.684 10 0 AFAERN COCCCCn1c(C)ccc1C 44659764 573919418 /nfs/dbraw/zinc/91/94/18/573919418.db2.gz UFINXMYPTMFWIX-UHFFFAOYSA-N 0 0 181.279 2.532 10 0 AFAERN CC(=O)[C@@]12CCCCCC[C@@H]1C2 238186142 573919422 /nfs/dbraw/zinc/91/94/22/573919422.db2.gz ARQVHKRGBHHFJM-MNOVXSKESA-N 0 0 166.264 2.936 10 0 AFAERN Nc1ccc(-c2ccccc2Cl)[nH]1 258180971 573919442 /nfs/dbraw/zinc/91/94/42/573919442.db2.gz SOODQDRNKSETAJ-UHFFFAOYSA-N 0 0 192.649 2.917 10 0 AFAERN Cc1c[nH]c2cc([C@H](C)O)ccc12 257898660 573919456 /nfs/dbraw/zinc/91/94/56/573919456.db2.gz AIFFJEDLXDBXRH-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN Oc1ccc(Cl)cc1CF 258457176 573919466 /nfs/dbraw/zinc/91/94/66/573919466.db2.gz GQRCGIZLXWXKFG-UHFFFAOYSA-N 0 0 160.575 2.515 10 0 AFAERN CC1(C)CC(=O)[C@]2(C)CC=C[C@@H]12 238185920 573919495 /nfs/dbraw/zinc/91/94/95/573919495.db2.gz VFJKRODSDNVBHG-GZMMTYOYSA-N 0 0 164.248 2.568 10 0 AFAERN c1ccc(-c2cnc3ncoc3c2)cc1 259239352 573919522 /nfs/dbraw/zinc/91/95/22/573919522.db2.gz PRJKDMMDLFWJGC-UHFFFAOYSA-N 0 0 196.209 2.890 10 0 AFAERN C[C@@H]1CC(CCCO)C[C@@H](C)C1 84836756 573919546 /nfs/dbraw/zinc/91/95/46/573919546.db2.gz WGQVFMBXENOKPV-UWVGGRQHSA-N 0 0 170.296 2.831 10 0 AFAERN COCN(C)c1cc(C)c(C)cc1C 259007546 573919648 /nfs/dbraw/zinc/91/96/48/573919648.db2.gz FUSSUVFFKYAOIW-UHFFFAOYSA-N 0 0 193.290 2.652 10 0 AFAERN CC(=O)[C@@]12CCCCC[C@H]1C2 238186208 573919652 /nfs/dbraw/zinc/91/96/52/573919652.db2.gz IIVBYLMWVIJMNS-UWVGGRQHSA-N 0 0 152.237 2.546 10 0 AFAERN CC(=O)[C@@]12CCCCCC[C@H]1C2 238186160 573919749 /nfs/dbraw/zinc/91/97/49/573919749.db2.gz ARQVHKRGBHHFJM-QWRGUYRKSA-N 0 0 166.264 2.936 10 0 AFAERN Cc1c[nH]c2cc([C@@H](C)O)ccc12 257898658 573919809 /nfs/dbraw/zinc/91/98/09/573919809.db2.gz AIFFJEDLXDBXRH-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN C=Cc1ccc2cc(CO)ccc2c1 145071741 573919912 /nfs/dbraw/zinc/91/99/12/573919912.db2.gz IEZUKSDZYSDLBL-UHFFFAOYSA-N 0 0 184.238 2.975 10 0 AFAERN CC(F)(F)c1ccc2c(c1)OCO2 259007352 573920036 /nfs/dbraw/zinc/92/00/36/573920036.db2.gz NQNMUACFFMMZQN-UHFFFAOYSA-N 0 0 186.157 2.527 10 0 AFAERN Cc1nc(-c2cc(F)ccc2F)c[nH]1 259007538 573921477 /nfs/dbraw/zinc/92/14/77/573921477.db2.gz CSBABSUPXXOZBH-UHFFFAOYSA-N 0 0 194.184 2.663 10 0 AFAERN C=C=CC(C)(C)C(=O)C(C)C 238186798 573921982 /nfs/dbraw/zinc/92/19/82/573921982.db2.gz RZUVOMZKWMSXEO-UHFFFAOYSA-N 0 0 152.237 2.579 10 0 AFAERN Cc1ccc(F)c([C@@H](O)C2CCC2)c1 84888128 573921975 /nfs/dbraw/zinc/92/19/75/573921975.db2.gz SXCONVQJNFITAE-LBPRGKRZSA-N 0 0 194.249 2.968 10 0 AFAERN CO[C@H](C(=O)[C@@H](C)CC(C)C)C1CC1 308463919 573921537 /nfs/dbraw/zinc/92/15/37/573921537.db2.gz HEQSPVLHMMXMTB-CABZTGNLSA-N 0 0 198.306 2.663 10 0 AFAERN CC(=O)[C@@]12CCCC[C@@H]1CC2 238186282 573921663 /nfs/dbraw/zinc/92/16/63/573921663.db2.gz FCGGNXHYRJBPHW-ZJUUUORDSA-N 0 0 152.237 2.546 10 0 AFAERN CC1(C)CC(=O)[C@]2(C)CC=C[C@H]12 238185942 573921673 /nfs/dbraw/zinc/92/16/73/573921673.db2.gz VFJKRODSDNVBHG-LDYMZIIASA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)c1nc2c(s1)CCCC2=O 84887719 573921762 /nfs/dbraw/zinc/92/17/62/573921762.db2.gz BPSJHTBZJHMHGX-UHFFFAOYSA-N 0 0 195.287 2.786 10 0 AFAERN CC(=O)[C@@]12CCCCC[C@@H]1C2 238186179 573921901 /nfs/dbraw/zinc/92/19/01/573921901.db2.gz IIVBYLMWVIJMNS-ZJUUUORDSA-N 0 0 152.237 2.546 10 0 AFAERN CNCC(F)(F)C1CCCCCC1 257900389 573923409 /nfs/dbraw/zinc/92/34/09/573923409.db2.gz YRAMJHWBASRYSL-UHFFFAOYSA-N 0 0 191.265 2.812 10 0 AFAERN CC[C@H](F)COC(=O)C(C)=C(C)C 308464135 573923435 /nfs/dbraw/zinc/92/34/35/573923435.db2.gz IKEZZUOLWVAUCP-VIFPVBQESA-N 0 0 188.242 2.634 10 0 AFAERN C[C@@H]1CC[C@H](n2cnnc2Cl)[C@@H]1C 84876975 573923012 /nfs/dbraw/zinc/92/30/12/573923012.db2.gz HPDNHDIPECHFRH-PRJMDXOYSA-N 0 0 199.685 2.539 10 0 AFAERN CCCC(=C(C)C)[C@@H](O)CC 238187551 573923134 /nfs/dbraw/zinc/92/31/34/573923134.db2.gz XJIYYPFNYXQNGS-JTQLQIEISA-N 0 0 156.269 2.894 10 0 AFAERN CC[C@@H]1CC[C@H]([C@@H](NN)[C@H](C)CC)C1 253006608 573923366 /nfs/dbraw/zinc/92/33/66/573923366.db2.gz NJKPIHZBFLUFAZ-WYUUTHIRSA-N 0 0 198.354 2.691 10 0 AFAERN CCN(CC)c1cccnc1Cl 84885979 573923418 /nfs/dbraw/zinc/92/34/18/573923418.db2.gz USADYSJUHCAFHU-UHFFFAOYSA-N 0 0 184.670 2.581 10 0 AFAERN CCc1cc(Cl)cc(CCCO)c1 258182889 573926078 /nfs/dbraw/zinc/92/60/78/573926078.db2.gz QYSUXNQMVWKEEJ-UHFFFAOYSA-N 0 0 198.693 2.827 10 0 AFAERN CC(=O)CC(C)(C)[C@H]1C=CCC1 223577044 573924370 /nfs/dbraw/zinc/92/43/70/573924370.db2.gz GIMQZVOEQSDDKC-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN Fc1ccc(-c2cnco2)cc1F 217521020 573924510 /nfs/dbraw/zinc/92/45/10/573924510.db2.gz PYINEZBBSUXGOB-UHFFFAOYSA-N 0 0 181.141 2.620 10 0 AFAERN CC(C)[C@H]1CC(=O)c2ccoc2C1 238188088 573924455 /nfs/dbraw/zinc/92/44/55/573924455.db2.gz JCXAJTSRIWWVEH-QMMMGPOBSA-N 0 0 178.231 2.681 10 0 AFAERN CC1=C(C(C)(C)C)CC[C@H]1O 238189217 573924578 /nfs/dbraw/zinc/92/45/78/573924578.db2.gz XTWKJBZXWIOBRR-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CC(C)C(=O)C1(Cl)CCCC1 238187559 573924612 /nfs/dbraw/zinc/92/46/12/573924612.db2.gz KXEVXDWMRNECJX-UHFFFAOYSA-N 0 0 174.671 2.763 10 0 AFAERN CO[C@H](C(=O)[C@H](C)CC(C)C)C1CC1 308463923 573924644 /nfs/dbraw/zinc/92/46/44/573924644.db2.gz HEQSPVLHMMXMTB-SKDRFNHKSA-N 0 0 198.306 2.663 10 0 AFAERN CC(C)C(C(=O)N1CCCC1)C(C)C 308464580 573926077 /nfs/dbraw/zinc/92/60/77/573926077.db2.gz HIWUQBHDYVEPQH-UHFFFAOYSA-N 0 0 197.322 2.537 10 0 AFAERN CCCC(=O)[C@@H](C)CC(C)(C)OC 211842798 573924820 /nfs/dbraw/zinc/92/48/20/573924820.db2.gz XPGQWQIDACOWEH-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)c1oc(C=O)nc1C(C)(C)C 257900552 573924942 /nfs/dbraw/zinc/92/49/42/573924942.db2.gz YSLGVFKGLXZKBQ-UHFFFAOYSA-N 0 0 195.262 2.908 10 0 AFAERN CCCC(=O)[C@H](C)CC(C)(C)OC 211842880 573925117 /nfs/dbraw/zinc/92/51/17/573925117.db2.gz XPGQWQIDACOWEH-SECBINFHSA-N 0 0 186.295 2.807 10 0 AFAERN CC[C@@H](F)COC(=O)C(C)=C(C)C 308464131 573925186 /nfs/dbraw/zinc/92/51/86/573925186.db2.gz IKEZZUOLWVAUCP-SECBINFHSA-N 0 0 188.242 2.634 10 0 AFAERN CC(C)[C@H](C)Oc1cc(F)ccc1N 87467624 573925302 /nfs/dbraw/zinc/92/53/02/573925302.db2.gz MGNHYXHTLBVHCU-QMMMGPOBSA-N 0 0 197.253 2.831 10 0 AFAERN CCCc1nccn1COC(C)(C)C 308463726 573925350 /nfs/dbraw/zinc/92/53/50/573925350.db2.gz GKPMARSEVHHZSI-UHFFFAOYSA-N 0 0 196.294 2.608 10 0 AFAERN Cc1cc(-c2ccccn2)c(N)s1 103282784 573925414 /nfs/dbraw/zinc/92/54/14/573925414.db2.gz CCQQTVLBJSXXQG-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN S=c1[n-]nc([C@H]2C[C@H]3CC[C@@H]2C3)o1 42175550 573925458 /nfs/dbraw/zinc/92/54/58/573925458.db2.gz SLHOPMUHCGMMEA-XVMARJQXSA-N 0 0 196.275 2.636 10 0 AFAERN CC1(C)C=Cc2ccccc2[C@@H]1O 238198443 573925564 /nfs/dbraw/zinc/92/55/64/573925564.db2.gz UPHGWWJFHMNOGV-NSHDSACASA-N 0 0 174.243 2.773 10 0 AFAERN CC1=C(C(C)(C)C)CC[C@@H]1O 238189197 573925603 /nfs/dbraw/zinc/92/56/03/573925603.db2.gz XTWKJBZXWIOBRR-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN Cc1cc(C)c([C@H](N)C(F)F)cc1C 235802261 573926374 /nfs/dbraw/zinc/92/63/74/573926374.db2.gz VRNQRUJLPPPVSU-JTQLQIEISA-N 0 0 199.244 2.877 10 0 AFAERN CC1(C)C=Cc2ccccc2[C@H]1O 238198462 573925716 /nfs/dbraw/zinc/92/57/16/573925716.db2.gz UPHGWWJFHMNOGV-LLVKDONJSA-N 0 0 174.243 2.773 10 0 AFAERN Nc1c(F)cccc1CC1CCC1 257901479 573925852 /nfs/dbraw/zinc/92/58/52/573925852.db2.gz OZLSUBJBNVRUIR-UHFFFAOYSA-N 0 0 179.238 2.751 10 0 AFAERN CCOC[C@H](C)n1c(C)ccc1C 44727596 573925938 /nfs/dbraw/zinc/92/59/38/573925938.db2.gz HZIWIHGGJUHCNG-NSHDSACASA-N 0 0 181.279 2.702 10 0 AFAERN CC(C)[C@@H](C)Oc1cc(F)ccc1N 87467623 573925990 /nfs/dbraw/zinc/92/59/90/573925990.db2.gz MGNHYXHTLBVHCU-MRVPVSSYSA-N 0 0 197.253 2.831 10 0 AFAERN O=C(CC1CC1)c1cccc(F)c1F 84932066 573926125 /nfs/dbraw/zinc/92/61/25/573926125.db2.gz TYCHTHQPLGWBSF-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN CC(C)[C@H]1C=C2CCCC[C@@H]2C1=O 238187741 573926176 /nfs/dbraw/zinc/92/61/76/573926176.db2.gz PWSIOCQIYHDBOX-WDEREUQCSA-N 0 0 178.275 2.958 10 0 AFAERN c1n[nH]cc1NCCC1CCCCC1 87473343 573926276 /nfs/dbraw/zinc/92/62/76/573926276.db2.gz ANRMOUMZFQRTMN-UHFFFAOYSA-N 0 0 193.294 2.792 10 0 AFAERN CC(C)(C(F)F)[C@@H](O)C1=CCCC1 642824998 573928331 /nfs/dbraw/zinc/92/83/31/573928331.db2.gz PEVJVJOHJMVQKE-QMMMGPOBSA-N 0 0 190.233 2.749 10 0 AFAERN CC(C)[C@@H](C)Oc1ccc(F)cc1N 87467513 573928464 /nfs/dbraw/zinc/92/84/64/573928464.db2.gz FAILFRWDOPYGSO-MRVPVSSYSA-N 0 0 197.253 2.831 10 0 AFAERN CC(C)[C@H](C)Oc1ccc(F)cc1N 87467514 573927210 /nfs/dbraw/zinc/92/72/10/573927210.db2.gz FAILFRWDOPYGSO-QMMMGPOBSA-N 0 0 197.253 2.831 10 0 AFAERN CC/C=C\COC(=O)CCC1CC1 308465015 573927272 /nfs/dbraw/zinc/92/72/72/573927272.db2.gz IUQOTALFTOQZQJ-ARJAWSKDSA-N 0 0 182.263 2.686 10 0 AFAERN CC1=CC[C@@]23CCC[C@@H](C[C@@H]12)C3=O 223577477 573927317 /nfs/dbraw/zinc/92/73/17/573927317.db2.gz FBCHPXXOQHGPMY-NHCYSSNCSA-N 0 0 176.259 2.712 10 0 AFAERN CC(C)c1ccc(Cl)cc1CNO 215006761 573928508 /nfs/dbraw/zinc/92/85/08/573928508.db2.gz JHXXKHPYCWDDGZ-UHFFFAOYSA-N 0 0 199.681 2.942 10 0 AFAERN CC/C=C/COC(=O)CCC1CC1 308465016 573927613 /nfs/dbraw/zinc/92/76/13/573927613.db2.gz IUQOTALFTOQZQJ-ONEGZZNKSA-N 0 0 182.263 2.686 10 0 AFAERN CC(C)[C@H](C)Oc1ccc(N)cc1F 87467768 573927629 /nfs/dbraw/zinc/92/76/29/573927629.db2.gz NXMKWKYXKSKZPU-QMMMGPOBSA-N 0 0 197.253 2.831 10 0 AFAERN CC(C)[C@@H](C)Oc1ccc(N)cc1F 87467767 573927688 /nfs/dbraw/zinc/92/76/88/573927688.db2.gz NXMKWKYXKSKZPU-MRVPVSSYSA-N 0 0 197.253 2.831 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1ncccc1C 233282673 573927731 /nfs/dbraw/zinc/92/77/31/573927731.db2.gz WKGKODBYELVMNU-ZYHUDNBSSA-N 0 0 193.290 2.860 10 0 AFAERN CC(C)[C@@H](C)CNc1nccs1 81069893 573927740 /nfs/dbraw/zinc/92/77/40/573927740.db2.gz XFUSYHQYFLCUPE-QMMMGPOBSA-N 0 0 184.308 2.847 10 0 AFAERN O=C1CCO[C@H](CC2CCCCC2)C1 87474308 573927772 /nfs/dbraw/zinc/92/77/72/573927772.db2.gz DWIYENJFDDGGHH-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN CCC[C@@H](C)[C@@H](O)c1csc(C)n1 233282643 573927789 /nfs/dbraw/zinc/92/77/89/573927789.db2.gz INLBYHMWFTUYKC-GMSGAONNSA-N 0 0 199.319 2.921 10 0 AFAERN CC(C)c1cc2c(O)cc(O)cc2o1 238200273 573927856 /nfs/dbraw/zinc/92/78/56/573927856.db2.gz GPTZQXUDMPHPSF-UHFFFAOYSA-N 0 0 192.214 2.967 10 0 AFAERN CC(C)[C@@H](C)Oc1cccc(F)c1N 87467559 573927932 /nfs/dbraw/zinc/92/79/32/573927932.db2.gz HPGDFISMQWJGFH-MRVPVSSYSA-N 0 0 197.253 2.831 10 0 AFAERN CC(C)[C@@H](C)CNc1ccccc1N 81040581 573927990 /nfs/dbraw/zinc/92/79/90/573927990.db2.gz GWKGZEKACZYULO-JTQLQIEISA-N 0 0 192.306 2.973 10 0 AFAERN CCOC[C@@H](C)n1c(C)ccc1C 44727595 573928116 /nfs/dbraw/zinc/92/81/16/573928116.db2.gz HZIWIHGGJUHCNG-LLVKDONJSA-N 0 0 181.279 2.702 10 0 AFAERN CCCOC(=O)N1[C@@H](C)CCC[C@H]1C 308465070 573928149 /nfs/dbraw/zinc/92/81/49/573928149.db2.gz VZCNAPXKHFTNDM-AOOOYVTPSA-N 0 0 199.294 2.796 10 0 AFAERN CC1=C(C)[C@H]2CCCC[C@@H]1C2=O 238200408 573928151 /nfs/dbraw/zinc/92/81/51/573928151.db2.gz JKWGRLRRYAIQFX-AOOOYVTPSA-N 0 0 164.248 2.712 10 0 AFAERN CN[C@H](C)C(F)(F)CC(C)(C)C 257901451 573928170 /nfs/dbraw/zinc/92/81/70/573928170.db2.gz OYVNHWRRHZJTJJ-SSDOTTSWSA-N 0 0 179.254 2.666 10 0 AFAERN OC/C(=C/C1CC1)C1CCCCC1 87474805 573928185 /nfs/dbraw/zinc/92/81/85/573928185.db2.gz YMUPGFPNTHPLNK-WQLSENKSSA-N 0 0 180.291 2.895 10 0 AFAERN CC(=O)CC(C)(C)[C@@H]1C=CCC1 223577094 573928237 /nfs/dbraw/zinc/92/82/37/573928237.db2.gz GIMQZVOEQSDDKC-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CC(C)[C@@H](C)Oc1cccc(F)n1 87469221 573928342 /nfs/dbraw/zinc/92/83/42/573928342.db2.gz CQEKNKAXDFWEQJ-MRVPVSSYSA-N 0 0 183.226 2.644 10 0 AFAERN CC(C)[C@H](C)Oc1cccc(F)c1N 87467560 573928395 /nfs/dbraw/zinc/92/83/95/573928395.db2.gz HPGDFISMQWJGFH-QMMMGPOBSA-N 0 0 197.253 2.831 10 0 AFAERN Cc1n[nH]c(=S)n1C[C@H](C)C(C)C 81073037 573928416 /nfs/dbraw/zinc/92/84/16/573928416.db2.gz RNQSDMCSUIFVJP-ZETCQYMHSA-N 0 0 199.323 2.541 10 0 AFAERN CCCOC(=O)N1[C@@H](C)CCC[C@@H]1C 308465073 573928568 /nfs/dbraw/zinc/92/85/68/573928568.db2.gz VZCNAPXKHFTNDM-UWVGGRQHSA-N 0 0 199.294 2.796 10 0 AFAERN CCC1=C(C)N[C@@H]2CCCCC2=N1 238199564 573928645 /nfs/dbraw/zinc/92/86/45/573928645.db2.gz VRHZAUARFGLZPW-SNVBAGLBSA-N 0 0 178.279 2.615 10 0 AFAERN Cc1noc(C2CCCCC2)c1N 257901475 573928682 /nfs/dbraw/zinc/92/86/82/573928682.db2.gz OZHNLDGCLCNPCD-UHFFFAOYSA-N 0 0 180.251 2.613 10 0 AFAERN CC(C)[C@H](C)Oc1cccc(F)n1 87469222 573928789 /nfs/dbraw/zinc/92/87/89/573928789.db2.gz CQEKNKAXDFWEQJ-QMMMGPOBSA-N 0 0 183.226 2.644 10 0 AFAERN CC1(C)CCCC(C)(C)C1(C)NC=O 238200079 573928790 /nfs/dbraw/zinc/92/87/90/573928790.db2.gz WCURCPZUJSFIKF-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCCc1nc(NC)oc1C 258520903 573928927 /nfs/dbraw/zinc/92/89/27/573928927.db2.gz GFTBMCCYJOPXGM-UHFFFAOYSA-N 0 0 182.267 2.757 10 0 AFAERN Nc1scnc1CC1CCCCC1 87474017 573929013 /nfs/dbraw/zinc/92/90/13/573929013.db2.gz KDKUAHGCMURIRT-UHFFFAOYSA-N 0 0 196.319 2.848 10 0 AFAERN O=C1CCO[C@@H](CC2CCCCC2)C1 87474310 573929124 /nfs/dbraw/zinc/92/91/24/573929124.db2.gz DWIYENJFDDGGHH-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN CCC1=C(C)N[C@H]2CCCCC2=N1 238199583 573929454 /nfs/dbraw/zinc/92/94/54/573929454.db2.gz VRHZAUARFGLZPW-JTQLQIEISA-N 0 0 178.279 2.615 10 0 AFAERN CN[C@@H](C)C(F)(F)CC(C)(C)C 257901453 573929259 /nfs/dbraw/zinc/92/92/59/573929259.db2.gz OYVNHWRRHZJTJJ-ZETCQYMHSA-N 0 0 179.254 2.666 10 0 AFAERN CCCC1(NC(=O)OC(C)(C)C)CC1 238198839 573929281 /nfs/dbraw/zinc/92/92/81/573929281.db2.gz CXWAULMKQXJKAO-UHFFFAOYSA-N 0 0 199.294 2.844 10 0 AFAERN CC1(C)CCC=C[C@@]1(C)CCO 238198566 573929435 /nfs/dbraw/zinc/92/94/35/573929435.db2.gz NHWISSVNVSJSMN-NSHDSACASA-N 0 0 168.280 2.751 10 0 AFAERN CC1(C)CCC=C[C@]1(C)CCO 238198753 573929470 /nfs/dbraw/zinc/92/94/70/573929470.db2.gz NHWISSVNVSJSMN-LLVKDONJSA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)c1cc(C=O)c2c(c1)CCO2 238199670 573929669 /nfs/dbraw/zinc/92/96/69/573929669.db2.gz UBCHAJWVLRDCBU-UHFFFAOYSA-N 0 0 190.242 2.557 10 0 AFAERN CSCC(=O)c1cccc(C)c1F 84932962 573929923 /nfs/dbraw/zinc/92/99/23/573929923.db2.gz ZUSLHCWGLZXQJX-UHFFFAOYSA-N 0 0 198.262 2.680 10 0 AFAERN CC(C)c1ccc(CNO)cc1Cl 215006828 573929759 /nfs/dbraw/zinc/92/97/59/573929759.db2.gz MXFHAEXUNKAKRC-UHFFFAOYSA-N 0 0 199.681 2.942 10 0 AFAERN C[C@H]1CC(=O)Nc2cc(Cl)ccc21 257901558 573929791 /nfs/dbraw/zinc/92/97/91/573929791.db2.gz YVVMRGOIXJWIEE-LURJTMIESA-N 0 0 195.649 2.786 10 0 AFAERN CCC1=C2CCCC(=O)[C@@H]2CC1 238200311 573929902 /nfs/dbraw/zinc/92/99/02/573929902.db2.gz FEFQAJLCPQDYMY-SNVBAGLBSA-N 0 0 164.248 2.856 10 0 AFAERN CCc1ccc2c(c1)N[C@@H](C)[C@@H](C)O2 87503936 573929876 /nfs/dbraw/zinc/92/98/76/573929876.db2.gz AIVVRWKNEYPMDJ-DTWKUNHWSA-N 0 0 191.274 2.830 10 0 AFAERN C[C@H]1Nc2cc(Cl)ccc2O[C@@H]1C 87504087 573931004 /nfs/dbraw/zinc/93/10/04/573931004.db2.gz WWZPUFUHTSQGJA-RNFRBKRXSA-N 0 0 197.665 2.921 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@H](C)[C@@H](C)O2 87504724 573930928 /nfs/dbraw/zinc/93/09/28/573930928.db2.gz AVSKJOGUZHESAO-NXEZZACHSA-N 0 0 191.274 2.885 10 0 AFAERN CCC(C)(CC)C1=CC[C@@H](O)C1 238198977 573931335 /nfs/dbraw/zinc/93/13/35/573931335.db2.gz YUVZNRWOSUJYNN-SNVBAGLBSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1ccc2c(c1)O[C@H](C)[C@@H](C)N2 87504272 573931773 /nfs/dbraw/zinc/93/17/73/573931773.db2.gz NRMYMOBJMIUKSZ-RKDXNWHRSA-N 0 0 177.247 2.576 10 0 AFAERN Cc1cc(C)c2c(c1)N[C@H](C)[C@H](C)O2 87504719 573931695 /nfs/dbraw/zinc/93/16/95/573931695.db2.gz AVSKJOGUZHESAO-ZJUUUORDSA-N 0 0 191.274 2.885 10 0 AFAERN Cc1ccc2c(c1)O[C@@H](C)[C@@H](C)N2 87504274 573930705 /nfs/dbraw/zinc/93/07/05/573930705.db2.gz NRMYMOBJMIUKSZ-BDAKNGLRSA-N 0 0 177.247 2.576 10 0 AFAERN CC(C)[C@H](C)CNc1ccccc1N 81040583 573930785 /nfs/dbraw/zinc/93/07/85/573930785.db2.gz GWKGZEKACZYULO-SNVBAGLBSA-N 0 0 192.306 2.973 10 0 AFAERN COCc1cc2cccc(C)c2n1C 257908069 573930817 /nfs/dbraw/zinc/93/08/17/573930817.db2.gz PILKMKFNGJMONP-UHFFFAOYSA-N 0 0 189.258 2.633 10 0 AFAERN CCO[C@H](CC)C(=O)C[C@H](C)CC 131747005 573930821 /nfs/dbraw/zinc/93/08/21/573930821.db2.gz RQAUUNOJECYVGU-MWLCHTKSSA-N 0 0 186.295 2.807 10 0 AFAERN Cc1cccc2c1N[C@@H](C)[C@H](C)O2 87504614 573930880 /nfs/dbraw/zinc/93/08/80/573930880.db2.gz UHXNKBAOGKIBKZ-IUCAKERBSA-N 0 0 177.247 2.576 10 0 AFAERN CC[C@@H]1Oc2c(C)cccc2N[C@H]1C 87505259 573930985 /nfs/dbraw/zinc/93/09/85/573930985.db2.gz MWCSVBKPBMIFCS-ONGXEEELSA-N 0 0 191.274 2.966 10 0 AFAERN CC[C@@H]1Oc2cc(F)ccc2N[C@@H]1C 87504772 573931009 /nfs/dbraw/zinc/93/10/09/573931009.db2.gz NTXUDIZBOWRVTD-XCBNKYQSSA-N 0 0 195.237 2.797 10 0 AFAERN CC(C)[C@H]1Nc2ccccc2CO1 238200146 573931035 /nfs/dbraw/zinc/93/10/35/573931035.db2.gz BHDWHPNBOAKBJN-NSHDSACASA-N 0 0 177.247 2.611 10 0 AFAERN Cc1c(O)cccc1OCCCCF 308470855 573931051 /nfs/dbraw/zinc/93/10/51/573931051.db2.gz BOWHLARANKMXHA-UHFFFAOYSA-N 0 0 198.237 2.829 10 0 AFAERN Cc1n[nH]c(=S)n1C[C@@H](C)C(C)C 81073034 573931059 /nfs/dbraw/zinc/93/10/59/573931059.db2.gz RNQSDMCSUIFVJP-SSDOTTSWSA-N 0 0 199.323 2.541 10 0 AFAERN CC[C@@H]1Oc2cc(F)ccc2N[C@H]1C 87504765 573931062 /nfs/dbraw/zinc/93/10/62/573931062.db2.gz NTXUDIZBOWRVTD-XVKPBYJWSA-N 0 0 195.237 2.797 10 0 AFAERN CC(C)(O)c1cccc2cnsc12 258006171 573931138 /nfs/dbraw/zinc/93/11/38/573931138.db2.gz GXRRFBZIXVIMGY-UHFFFAOYSA-N 0 0 193.271 2.524 10 0 AFAERN CC[C@H]1Oc2cc(C)ccc2N[C@@H]1C 87504154 573931148 /nfs/dbraw/zinc/93/11/48/573931148.db2.gz RJXVPVFTJDWVEA-MWLCHTKSSA-N 0 0 191.274 2.966 10 0 AFAERN CC1=C(C)C[C@](C)(CO)CC1 238199221 573931153 /nfs/dbraw/zinc/93/11/53/573931153.db2.gz XUJQKJSGUUYADN-SNVBAGLBSA-N 0 0 154.253 2.505 10 0 AFAERN Cc1ccc2c(c1)O[C@H](C)[C@H](C)N2 87504265 573931199 /nfs/dbraw/zinc/93/11/99/573931199.db2.gz NRMYMOBJMIUKSZ-DTWKUNHWSA-N 0 0 177.247 2.576 10 0 AFAERN CC(C)C[C@@H](C)C(=O)c1ccccn1 308471007 573931207 /nfs/dbraw/zinc/93/12/07/573931207.db2.gz JICRJFNZEGOSQG-SNVBAGLBSA-N 0 0 191.274 2.947 10 0 AFAERN Cc1ccc2c(c1)O[C@@H](C)[C@H](C)N2 87504268 573931222 /nfs/dbraw/zinc/93/12/22/573931222.db2.gz NRMYMOBJMIUKSZ-IUCAKERBSA-N 0 0 177.247 2.576 10 0 AFAERN CC[C@@H]1Oc2c(C)cccc2N[C@@H]1C 87505264 573931256 /nfs/dbraw/zinc/93/12/56/573931256.db2.gz MWCSVBKPBMIFCS-KOLCDFICSA-N 0 0 191.274 2.966 10 0 AFAERN Cc1cccc2c1O[C@@H](C)[C@H](C)N2 87505392 573931290 /nfs/dbraw/zinc/93/12/90/573931290.db2.gz AOYCPBMVVQPAKJ-IUCAKERBSA-N 0 0 177.247 2.576 10 0 AFAERN CC[C@@H]1Oc2ccc(C)cc2N[C@H]1C 87504331 573931365 /nfs/dbraw/zinc/93/13/65/573931365.db2.gz SWKFDYWCHFDDDI-ONGXEEELSA-N 0 0 191.274 2.966 10 0 AFAERN CO[C@@H](CNc1ccsc1)C(C)C 310346385 573931814 /nfs/dbraw/zinc/93/18/14/573931814.db2.gz PLMYRJONLYXTNF-JTQLQIEISA-N 0 0 199.319 2.831 10 0 AFAERN Cc1cccc2c1O[C@H](C)[C@H](C)N2 87505390 573931378 /nfs/dbraw/zinc/93/13/78/573931378.db2.gz AOYCPBMVVQPAKJ-DTWKUNHWSA-N 0 0 177.247 2.576 10 0 AFAERN CCC(C)(CC)C1=CC[C@H](O)C1 238198992 573931452 /nfs/dbraw/zinc/93/14/52/573931452.db2.gz YUVZNRWOSUJYNN-JTQLQIEISA-N 0 0 168.280 2.894 10 0 AFAERN CC[C@@H]1Oc2cc(C)ccc2N[C@@H]1C 87504157 573931460 /nfs/dbraw/zinc/93/14/60/573931460.db2.gz RJXVPVFTJDWVEA-KOLCDFICSA-N 0 0 191.274 2.966 10 0 AFAERN Cc1ccc2c(c1)N[C@H](C)[C@@H](C)O2 87504448 573931465 /nfs/dbraw/zinc/93/14/65/573931465.db2.gz ALJIOKQNRRKKRD-RKDXNWHRSA-N 0 0 177.247 2.576 10 0 AFAERN CCCc1ccccc1CCCO 150283757 573931545 /nfs/dbraw/zinc/93/15/45/573931545.db2.gz VVDVXSRNVWFMGB-UHFFFAOYSA-N 0 0 178.275 2.564 10 0 AFAERN CC[C@@H]1Oc2ccc(F)cc2N[C@H]1C 87504917 573931568 /nfs/dbraw/zinc/93/15/68/573931568.db2.gz ABPYOSZQIMJZIY-XVKPBYJWSA-N 0 0 195.237 2.797 10 0 AFAERN CC[C@@H]1Oc2ccc(C)cc2N[C@@H]1C 87504335 573931596 /nfs/dbraw/zinc/93/15/96/573931596.db2.gz SWKFDYWCHFDDDI-KOLCDFICSA-N 0 0 191.274 2.966 10 0 AFAERN CC[C@H]1Oc2ccccc2N[C@@H]1C 87503723 573931623 /nfs/dbraw/zinc/93/16/23/573931623.db2.gz OKTQTNKNVANYRM-PSASIEDQSA-N 0 0 177.247 2.658 10 0 AFAERN CCO/C=C/C(Cl)=C\Cl 393496229 573931631 /nfs/dbraw/zinc/93/16/31/573931631.db2.gz ZKIGMDNJBUZLJG-VNKDHWASSA-N 0 0 167.035 2.856 10 0 AFAERN CC[C@H]1Oc2cc(F)ccc2N[C@@H]1C 87504768 573931657 /nfs/dbraw/zinc/93/16/57/573931657.db2.gz NTXUDIZBOWRVTD-GMSGAONNSA-N 0 0 195.237 2.797 10 0 AFAERN CC[C@H]1Oc2cc(C)ccc2N[C@H]1C 87504146 573931685 /nfs/dbraw/zinc/93/16/85/573931685.db2.gz RJXVPVFTJDWVEA-GXSJLCMTSA-N 0 0 191.274 2.966 10 0 AFAERN Cc1ccc2c(c1)N[C@@H](C)[C@@H](C)O2 87504451 573931725 /nfs/dbraw/zinc/93/17/25/573931725.db2.gz ALJIOKQNRRKKRD-DTWKUNHWSA-N 0 0 177.247 2.576 10 0 AFAERN CCSc1ccc(C(C)=O)cc1O 81147779 573931745 /nfs/dbraw/zinc/93/17/45/573931745.db2.gz WTNFKCJIFFXXGS-UHFFFAOYSA-N 0 0 196.271 2.707 10 0 AFAERN CC[C@@H]1Oc2ccccc2N[C@H]1C 87503720 573931761 /nfs/dbraw/zinc/93/17/61/573931761.db2.gz OKTQTNKNVANYRM-WPRPVWTQSA-N 0 0 177.247 2.658 10 0 AFAERN C[C@@H]1Oc2ccc(Cl)cc2N[C@@H]1C 87504080 573932977 /nfs/dbraw/zinc/93/29/77/573932977.db2.gz WWZPUFUHTSQGJA-RQJHMYQMSA-N 0 0 197.665 2.921 10 0 AFAERN CC1(C)CCC2=C(CCO)[C@H]1C2 238197270 573932664 /nfs/dbraw/zinc/93/26/64/573932664.db2.gz CCKJMHVRWXVDIG-SNVBAGLBSA-N 0 0 166.264 2.505 10 0 AFAERN Cc1ccc(CN(C)C/C=C\Cl)o1 308465697 573932671 /nfs/dbraw/zinc/93/26/71/573932671.db2.gz IZUIYHSZPGDUQN-UTCJRWHESA-N 0 0 199.681 2.772 10 0 AFAERN CO[C@H]1Cc2ccc(Cl)cc21 258460413 573932702 /nfs/dbraw/zinc/93/27/02/573932702.db2.gz HBGZBZSOUVKHSW-VIFPVBQESA-N 0 0 168.623 2.584 10 0 AFAERN Cc1cc2c([C@H](C)O)cccc2[nH]1 257905094 573932990 /nfs/dbraw/zinc/93/29/90/573932990.db2.gz AWKXGWLRSQDCCD-QMMMGPOBSA-N 0 0 175.231 2.530 10 0 AFAERN CCc1ccc2c(c1)N[C@@H](C)[C@H](C)O2 87503927 573932774 /nfs/dbraw/zinc/93/27/74/573932774.db2.gz AIVVRWKNEYPMDJ-IUCAKERBSA-N 0 0 191.274 2.830 10 0 AFAERN CC1(C)C=C2CCCC[C@H]2C1=O 238197045 573932791 /nfs/dbraw/zinc/93/27/91/573932791.db2.gz NKPJJYJAKCQHLH-SECBINFHSA-N 0 0 164.248 2.712 10 0 AFAERN CC(C)c1cc(N)c2c(c1)C[C@@H](C)O2 238196935 573932839 /nfs/dbraw/zinc/93/28/39/573932839.db2.gz GIVFDEILNPEMLG-MRVPVSSYSA-N 0 0 191.274 2.716 10 0 AFAERN CCC(C)(C)c1cccc(N)c1O 238196977 573932844 /nfs/dbraw/zinc/93/28/44/573932844.db2.gz NREKIWALZHUBLH-UHFFFAOYSA-N 0 0 179.263 2.662 10 0 AFAERN CCO/C=C\C(Cl)=C/Cl 393496224 573932882 /nfs/dbraw/zinc/93/28/82/573932882.db2.gz ZKIGMDNJBUZLJG-DNVGVPOPSA-N 0 0 167.035 2.856 10 0 AFAERN CCO/C=C\C(Cl)=C\Cl 393496227 573932992 /nfs/dbraw/zinc/93/29/92/573932992.db2.gz ZKIGMDNJBUZLJG-OUPQRBNQSA-N 0 0 167.035 2.856 10 0 AFAERN Cc1cc2c([C@@H](C)O)cccc2[nH]1 257905091 573934715 /nfs/dbraw/zinc/93/47/15/573934715.db2.gz AWKXGWLRSQDCCD-MRVPVSSYSA-N 0 0 175.231 2.530 10 0 AFAERN CC/C=C\c1nc(CC(C)C)no1 308465788 573934879 /nfs/dbraw/zinc/93/48/79/573934879.db2.gz JAQHMRXKFVNXOM-WAYWQWQTSA-N 0 0 180.251 2.691 10 0 AFAERN C[C@H](O)c1coc2ccc(F)cc12 257904817 573934940 /nfs/dbraw/zinc/93/49/40/573934940.db2.gz MUFURPIJSGDTRS-LURJTMIESA-N 0 0 180.178 2.625 10 0 AFAERN CC1(C)C(=O)C(C)(C)C2CC1C2 238196246 573935058 /nfs/dbraw/zinc/93/50/58/573935058.db2.gz GKKQNNKFGXZNMG-UHFFFAOYSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1scnc1-c1ccccc1O 257909415 573935119 /nfs/dbraw/zinc/93/51/19/573935119.db2.gz ZYIQIRPHDDAUFS-UHFFFAOYSA-N 0 0 191.255 2.824 10 0 AFAERN CC(C)c1cc(C2CCC2)[nH]c(=O)n1 238196127 573935120 /nfs/dbraw/zinc/93/51/20/573935120.db2.gz LVOQLAFKLIWEBA-UHFFFAOYSA-N 0 0 192.262 2.573 10 0 AFAERN CCCCCC[C@@H](CCCC)NN 127608046 573935172 /nfs/dbraw/zinc/93/51/72/573935172.db2.gz AOYAJKOZMDHEHF-LLVKDONJSA-N 0 0 186.343 2.979 10 0 AFAERN Cc1cccc(SO)c1 81146091 573935257 /nfs/dbraw/zinc/93/52/57/573935257.db2.gz OGSGMEYPSJJJMZ-UHFFFAOYSA-N 0 0 140.207 2.560 10 0 AFAERN CC1(C)C=C2CCCC[C@@H]2C1=O 238197026 573935289 /nfs/dbraw/zinc/93/52/89/573935289.db2.gz NKPJJYJAKCQHLH-VIFPVBQESA-N 0 0 164.248 2.712 10 0 AFAERN Cc1cc(-c2cccc(F)c2)n(C)n1 259017219 573935328 /nfs/dbraw/zinc/93/53/28/573935328.db2.gz IHYBUQWCDFFQJY-UHFFFAOYSA-N 0 0 190.221 2.535 10 0 AFAERN CC1=C2C=CC=C2[C@@](C)(CCCO)C1 238196393 573935411 /nfs/dbraw/zinc/93/54/11/573935411.db2.gz WHQVYHLJABKZKS-ZDUSSCGKSA-N 0 0 190.286 2.982 10 0 AFAERN Cc1ccc(O)c([C@](C)(O)C(C)C)c1 238196671 573935467 /nfs/dbraw/zinc/93/54/67/573935467.db2.gz JWAQZAHVXQJMOE-GFCCVEGCSA-N 0 0 194.274 2.564 10 0 AFAERN CC1(C)C2CCC(Cl)(CC2)[C@H]1O 238196633 573935632 /nfs/dbraw/zinc/93/56/32/573935632.db2.gz GZMHTDAWCJQICE-ZCUBBSJVSA-N 0 0 188.698 2.555 10 0 AFAERN CCO[C@H](CC)C(=O)C1CCCC1 131782848 573935686 /nfs/dbraw/zinc/93/56/86/573935686.db2.gz RECXMWSLPDXDQF-SNVBAGLBSA-N 0 0 184.279 2.561 10 0 AFAERN Fc1cccc(F)c1-c1ccon1 81162717 573935790 /nfs/dbraw/zinc/93/57/90/573935790.db2.gz WHEUARRNUMIJTR-UHFFFAOYSA-N 0 0 181.141 2.620 10 0 AFAERN CC1CC(C(=O)C2CC(C)C2)C1 238197072 573935918 /nfs/dbraw/zinc/93/59/18/573935918.db2.gz GOIFCVUJNMTIHP-UHFFFAOYSA-N 0 0 166.264 2.648 10 0 AFAERN Cc1ccccc1-c1ccn(C)c1N 258183241 573935942 /nfs/dbraw/zinc/93/59/42/573935942.db2.gz SRPCFWFJELRSRR-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN OCCCCCC/C=C/Cl 81167901 573936182 /nfs/dbraw/zinc/93/61/82/573936182.db2.gz SXMBXXXBAKZJQD-FNORWQNLSA-N 0 0 162.660 2.682 10 0 AFAERN CCSCc1ccc(F)c(N)c1 258183330 573936268 /nfs/dbraw/zinc/93/62/68/573936268.db2.gz SUSDJXPCJHGBIC-UHFFFAOYSA-N 0 0 185.267 2.661 10 0 AFAERN CCc1nc(C)cn1[C@@H](C)CC 715071706 573936394 /nfs/dbraw/zinc/93/63/94/573936394.db2.gz GWUZEBJTCOCUOJ-VIFPVBQESA-N 0 0 166.268 2.725 10 0 AFAERN CC[C@@H](C)C(=O)COC1CCCC1 87536710 573938156 /nfs/dbraw/zinc/93/81/56/573938156.db2.gz QOSBJEKDHGFCMR-SECBINFHSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H](C)[C@@H](O)C(C)(C)CC 81196906 573938090 /nfs/dbraw/zinc/93/80/90/573938090.db2.gz KSEFWSWZOHCKSX-DTWKUNHWSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)[C@@]1(C)CC[C@@H](C)C1=O 238201488 573939199 /nfs/dbraw/zinc/93/91/99/573939199.db2.gz IPOLFBRFHCNCJS-PSASIEDQSA-N 0 0 154.253 2.648 10 0 AFAERN CCC1=CCN(C(=O)OC(C)(C)C)C1 257906642 573939275 /nfs/dbraw/zinc/93/92/75/573939275.db2.gz AZMSLSWJOBHDCN-UHFFFAOYSA-N 0 0 197.278 2.574 10 0 AFAERN CCC[C@@H](O)c1ccnc(Cl)c1 87545602 573939280 /nfs/dbraw/zinc/93/92/80/573939280.db2.gz HSWWRZSFUCHWLP-MRVPVSSYSA-N 0 0 185.654 2.569 10 0 AFAERN CC(C)[C@@H]1C(=O)C[C@H]2CCC[C@H]12 238201468 573939412 /nfs/dbraw/zinc/93/94/12/573939412.db2.gz PQQTZFKXLSWIJD-YWVKMMECSA-N 0 0 166.264 2.648 10 0 AFAERN CC1(C)CCCC=C1CCO 238200934 573939520 /nfs/dbraw/zinc/93/95/20/573939520.db2.gz CKZDMECIPCEUAQ-UHFFFAOYSA-N 0 0 154.253 2.505 10 0 AFAERN CC1=C([Si](C)(C)C)[C@H](O)CCC1 238214627 573939588 /nfs/dbraw/zinc/93/95/88/573939588.db2.gz ORFLJRYHQUGETN-SECBINFHSA-N 0 0 184.355 2.725 10 0 AFAERN CC[C@H](C)[C@H](O)C(C)(C)CC 81196896 573941956 /nfs/dbraw/zinc/94/19/56/573941956.db2.gz KSEFWSWZOHCKSX-IUCAKERBSA-N 0 0 158.285 2.830 10 0 AFAERN CC(C)[C@@H]1C(=O)C[C@@H]2CCC[C@@H]21 238201506 573941838 /nfs/dbraw/zinc/94/18/38/573941838.db2.gz PQQTZFKXLSWIJD-QXEWZRGKSA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@H]([NH2+]C)c1c(F)cccc1OC 87545166 573941977 /nfs/dbraw/zinc/94/19/77/573941977.db2.gz SUBGEXRVFNRXNW-VIFPVBQESA-N 0 0 197.253 2.505 10 0 AFAERN CC(C)[C@@](C)(C(N)=O)C1CCCCC1 238202354 573942801 /nfs/dbraw/zinc/94/28/01/573942801.db2.gz XIDXCYGXVASNMT-GFCCVEGCSA-N 0 0 197.322 2.714 10 0 AFAERN CC[C@@H](C)[C@H](O)c1ccc(Cl)nc1 87546160 573942840 /nfs/dbraw/zinc/94/28/40/573942840.db2.gz XMYSSFWICXNKEJ-XCBNKYQSSA-N 0 0 199.681 2.815 10 0 AFAERN CC[C@@H](C)C(=O)c1ccc(Cl)nc1 87545913 573942836 /nfs/dbraw/zinc/94/28/36/573942836.db2.gz RWBQSPISKFITAS-SSDOTTSWSA-N 0 0 197.665 2.964 10 0 AFAERN Cc1cccc(CC(=O)C2(C)CC2)c1 87549194 573943920 /nfs/dbraw/zinc/94/39/20/573943920.db2.gz VCYOYTKJBLIHEK-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN CC(C)=C[C@@H](C)C(=O)C(C)C 238202254 573944242 /nfs/dbraw/zinc/94/42/42/573944242.db2.gz PGZJHWIUWZJGQH-SECBINFHSA-N 0 0 154.253 2.814 10 0 AFAERN OCC1(Sc2ccccc2)CCC1 259246523 573944391 /nfs/dbraw/zinc/94/43/91/573944391.db2.gz OOYRPCWUKSOBPG-UHFFFAOYSA-N 0 0 194.299 2.694 10 0 AFAERN Cc1cc(OCC2CC2)c(N)cc1F 235833364 573943796 /nfs/dbraw/zinc/94/37/96/573943796.db2.gz WTXGLOXCRQBLOX-UHFFFAOYSA-N 0 0 195.237 2.505 10 0 AFAERN CC1=CCCC[C@@H]1C(=O)C(C)C 238202786 573943661 /nfs/dbraw/zinc/94/36/61/573943661.db2.gz QGQYUFADCZNDDZ-JTQLQIEISA-N 0 0 166.264 2.958 10 0 AFAERN CCCCSc1cc(C)nc(C)n1 308469917 573943687 /nfs/dbraw/zinc/94/36/87/573943687.db2.gz KEPWOIVWQHUJAV-UHFFFAOYSA-N 0 0 196.319 2.986 10 0 AFAERN CC1(C(=O)CCC2CC2)CC1 87549073 573943692 /nfs/dbraw/zinc/94/36/92/573943692.db2.gz XLLYDRFACUXKOX-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CC(C)C(=O)[C@@]12CC=CC[C@@H]1CC2 238203515 573943698 /nfs/dbraw/zinc/94/36/98/573943698.db2.gz GSWJIIZFFWTWRK-ZYHUDNBSSA-N 0 0 178.275 2.958 10 0 AFAERN CC[C@@H](C)C[C@@H](O)C1(C)CC1 87549781 573943742 /nfs/dbraw/zinc/94/37/42/573943742.db2.gz QVRIWFUQVUQODG-RKDXNWHRSA-N 0 0 156.269 2.584 10 0 AFAERN CCC(CC)[C@@H](O)C1(C)CC1 87550377 573943756 /nfs/dbraw/zinc/94/37/56/573943756.db2.gz HNZHQWDVFWKEDQ-SECBINFHSA-N 0 0 156.269 2.584 10 0 AFAERN CC(C)C(=O)[C@@]1(C)C[C@H]2C=C[C@@H]1C2 238201938 573943758 /nfs/dbraw/zinc/94/37/58/573943758.db2.gz NZPUMIOVAPOQOR-UMNHJUIQSA-N 0 0 178.275 2.814 10 0 AFAERN CC1(C)CC(=O)c2ccc(F)cc21 238202949 573944401 /nfs/dbraw/zinc/94/44/01/573944401.db2.gz OFHWRNWZPUYNJP-UHFFFAOYSA-N 0 0 178.206 2.690 10 0 AFAERN COc1ccc([C@H](O)C2(C)CC2)cc1 87550485 573943817 /nfs/dbraw/zinc/94/38/17/573943817.db2.gz JCCKFJPNEGWOOR-NSHDSACASA-N 0 0 192.258 2.529 10 0 AFAERN CC1(C)Oc2c(Cl)cccc2C1=O 238202727 573943833 /nfs/dbraw/zinc/94/38/33/573943833.db2.gz YGZCOEIVBYCOJZ-UHFFFAOYSA-N 0 0 196.633 2.694 10 0 AFAERN CCC(CC)C(=O)C1(C)CC1 87549399 573944402 /nfs/dbraw/zinc/94/44/02/573944402.db2.gz RKYHEZHLSAGJEW-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CC(C)C(=O)[C@@]12CC=CC[C@H]1CC2 238203502 573943871 /nfs/dbraw/zinc/94/38/71/573943871.db2.gz GSWJIIZFFWTWRK-CMPLNLGQSA-N 0 0 178.275 2.958 10 0 AFAERN CC1(C(=O)c2cccc(F)c2F)CC1 87549131 573943873 /nfs/dbraw/zinc/94/38/73/573943873.db2.gz JDGDMEPPAROGDU-UHFFFAOYSA-N 0 0 196.196 2.948 10 0 AFAERN CC(=C=CC=C=CC(C)(C)C)CO 238203912 573943877 /nfs/dbraw/zinc/94/38/77/573943877.db2.gz TXFALRMXHPZZPK-UHFFFAOYSA-N 0 0 178.275 2.838 10 0 AFAERN Cc1cc(F)cc([C@@H](O)C2(C)CC2)c1 87549909 573943960 /nfs/dbraw/zinc/94/39/60/573943960.db2.gz JDTKYGZKRUEELC-LLVKDONJSA-N 0 0 194.249 2.968 10 0 AFAERN CC1([C@@H](O)c2cccc(F)c2F)CC1 87550317 573943968 /nfs/dbraw/zinc/94/39/68/573943968.db2.gz ZBWFJLVGDODNIH-JTQLQIEISA-N 0 0 198.212 2.798 10 0 AFAERN CCC(CC)[C@H](O)C1(C)CC1 87550375 573944041 /nfs/dbraw/zinc/94/40/41/573944041.db2.gz HNZHQWDVFWKEDQ-VIFPVBQESA-N 0 0 156.269 2.584 10 0 AFAERN CC1CCC([C@H](O)C2(C)CC2)CC1 87550319 573944083 /nfs/dbraw/zinc/94/40/83/573944083.db2.gz IFMVBZZSCXMRAY-ILDUYXDCSA-N 0 0 182.307 2.974 10 0 AFAERN CC1([C@H](O)Cc2cccc(F)c2)CC1 87549483 573944102 /nfs/dbraw/zinc/94/41/02/573944102.db2.gz SWRXZSPWVMPXQH-LLVKDONJSA-N 0 0 194.249 2.529 10 0 AFAERN CC1([C@H](O)c2cccc(F)c2F)CC1 87550315 573944131 /nfs/dbraw/zinc/94/41/31/573944131.db2.gz ZBWFJLVGDODNIH-SNVBAGLBSA-N 0 0 198.212 2.798 10 0 AFAERN Cc1ccsc1[C@@H](O)C1(C)CC1 87549925 573944143 /nfs/dbraw/zinc/94/41/43/573944143.db2.gz JZZFZGGWQLIKSA-SECBINFHSA-N 0 0 182.288 2.890 10 0 AFAERN Cc1cccc([C@@H](O)C2(C)CC2)c1 87549600 573944173 /nfs/dbraw/zinc/94/41/73/573944173.db2.gz PSRMYBSCPLNACF-LLVKDONJSA-N 0 0 176.259 2.829 10 0 AFAERN COCCCCC1=C[C@@H](O)C[C@@H](C)C1 308470830 573944212 /nfs/dbraw/zinc/94/42/12/573944212.db2.gz HYYHWWCVLXABDI-JQWIXIFHSA-N 0 0 198.306 2.520 10 0 AFAERN Cc1ccc(F)c([C@@H](O)C2(C)CC2)c1 87549938 573944382 /nfs/dbraw/zinc/94/43/82/573944382.db2.gz SZHVTNUSVRHHJK-LLVKDONJSA-N 0 0 194.249 2.968 10 0 AFAERN CC1([C@H](O)c2ccccc2F)CC1 87549652 573944252 /nfs/dbraw/zinc/94/42/52/573944252.db2.gz YKIFPSSYFQZSLW-SNVBAGLBSA-N 0 0 180.222 2.659 10 0 AFAERN CC1=C(C)[C@@]23CCC[C@@]12CCC3=O 238202307 573944389 /nfs/dbraw/zinc/94/43/89/573944389.db2.gz NKWSPDGIUMOXSI-VXGBXAGGSA-N 0 0 176.259 2.856 10 0 AFAERN COc1ccc([C@@H](O)C2(C)CC2)cc1 87550483 573944298 /nfs/dbraw/zinc/94/42/98/573944298.db2.gz JCCKFJPNEGWOOR-LLVKDONJSA-N 0 0 192.258 2.529 10 0 AFAERN Cc1ccsc1[C@H](O)C1(C)CC1 87549923 573944304 /nfs/dbraw/zinc/94/43/04/573944304.db2.gz JZZFZGGWQLIKSA-VIFPVBQESA-N 0 0 182.288 2.890 10 0 AFAERN CC1([C@@H](O)c2ccsc2)CC1 87549717 573944311 /nfs/dbraw/zinc/94/43/11/573944311.db2.gz MOCKQNPVHMAXEO-QMMMGPOBSA-N 0 0 168.261 2.582 10 0 AFAERN Cc1ccccc1C(=O)C1(C)CC1 87549328 573944318 /nfs/dbraw/zinc/94/43/18/573944318.db2.gz NROYRAMHVFSOPI-UHFFFAOYSA-N 0 0 174.243 2.978 10 0 AFAERN CCC1=Cc2ccc(N)cc2C1 238201884 573944347 /nfs/dbraw/zinc/94/43/47/573944347.db2.gz WBHHMZBESUZRMO-UHFFFAOYSA-N 0 0 159.232 2.618 10 0 AFAERN CC1([C@@H](O)Cc2cccc(F)c2)CC1 87549486 573944361 /nfs/dbraw/zinc/94/43/61/573944361.db2.gz SWRXZSPWVMPXQH-NSHDSACASA-N 0 0 194.249 2.529 10 0 AFAERN Cc1ccc([C@@H](O)C2(C)CC2)s1 87550402 573945269 /nfs/dbraw/zinc/94/52/69/573945269.db2.gz DJMQRTHFCCQGKK-SECBINFHSA-N 0 0 182.288 2.890 10 0 AFAERN CC1(C(=O)CC2CCC2)CC1 87549254 573945220 /nfs/dbraw/zinc/94/52/20/573945220.db2.gz KMGANOZONJZYKG-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN CC1([C@H](O)c2cc(F)ccc2F)CC1 87549614 573945291 /nfs/dbraw/zinc/94/52/91/573945291.db2.gz FOYSPZLWGCPQHK-SNVBAGLBSA-N 0 0 198.212 2.798 10 0 AFAERN COCCCCC1=C[C@@H](O)C[C@H](C)C1 308470832 573945335 /nfs/dbraw/zinc/94/53/35/573945335.db2.gz HYYHWWCVLXABDI-PWSUYJOCSA-N 0 0 198.306 2.520 10 0 AFAERN Cc1cccc([C@H](O)C2(C)CC2)c1 87549598 573945348 /nfs/dbraw/zinc/94/53/48/573945348.db2.gz PSRMYBSCPLNACF-NSHDSACASA-N 0 0 176.259 2.829 10 0 AFAERN Cc1ccc(CCC2(O)CCC2)cc1 257907429 573945352 /nfs/dbraw/zinc/94/53/52/573945352.db2.gz FDZZXLTVYFPMMN-UHFFFAOYSA-N 0 0 190.286 2.843 10 0 AFAERN CC(C)C(=O)[C@]12CC=CC[C@H]1CC2 238201979 573945355 /nfs/dbraw/zinc/94/53/55/573945355.db2.gz GSWJIIZFFWTWRK-JQWIXIFHSA-N 0 0 178.275 2.958 10 0 AFAERN CC1([C@@H](O)Cc2ccc(F)cc2)CC1 87549432 573946745 /nfs/dbraw/zinc/94/67/45/573946745.db2.gz ADORFJPVILSFBL-NSHDSACASA-N 0 0 194.249 2.529 10 0 AFAERN CC1CCC([C@@H](O)C2(C)CC2)CC1 87550321 573946770 /nfs/dbraw/zinc/94/67/70/573946770.db2.gz IFMVBZZSCXMRAY-VQXHTEKXSA-N 0 0 182.307 2.974 10 0 AFAERN O[C@H](C1=CCCC1)C1C[C@@H]2C[C@@H]2C1 87565625 573948824 /nfs/dbraw/zinc/94/88/24/573948824.db2.gz DHEMUUMBKCXIJU-AYLPWXGPSA-N 0 0 178.275 2.504 10 0 AFAERN Cc1ccc(C[C@@H](O)C2(C)CC2)cc1 87550231 573946776 /nfs/dbraw/zinc/94/67/76/573946776.db2.gz GNKIYXNRZKIMID-GFCCVEGCSA-N 0 0 190.286 2.699 10 0 AFAERN CC1(C(=O)c2cccc(F)c2)CC1 87549332 573946785 /nfs/dbraw/zinc/94/67/85/573946785.db2.gz CWCQKLJVLFSGJM-UHFFFAOYSA-N 0 0 178.206 2.809 10 0 AFAERN CC1(C)CC=C2C[C@@H](O)C[C@H]2C1 238205788 573946787 /nfs/dbraw/zinc/94/67/87/573946787.db2.gz BVQJZZJNNUVRPH-VHSXEESVSA-N 0 0 166.264 2.504 10 0 AFAERN Cc1cccc(C(=O)C2(C)CC2)c1 87549103 573946789 /nfs/dbraw/zinc/94/67/89/573946789.db2.gz QGXSRYHEDSGYID-UHFFFAOYSA-N 0 0 174.243 2.978 10 0 AFAERN Cc1ccccc1CC(=O)C1(C)CC1 87549172 573946730 /nfs/dbraw/zinc/94/67/30/573946730.db2.gz VBOBLBYNWFWFIW-UHFFFAOYSA-N 0 0 188.270 2.907 10 0 AFAERN OC1(c2ccc(C3CC3)cc2)CC1 257915290 573948803 /nfs/dbraw/zinc/94/88/03/573948803.db2.gz BHDFYZYAOBAOCZ-UHFFFAOYSA-N 0 0 174.243 2.545 10 0 AFAERN CCCNc1cccnc1OC(C)C 42391939 573948307 /nfs/dbraw/zinc/94/83/07/573948307.db2.gz NRQPCOYBHVZYHQ-UHFFFAOYSA-N 0 0 194.278 2.691 10 0 AFAERN CC1(C)CCC(=O)[C@@H]2CC=C[C@H]21 238206384 573948334 /nfs/dbraw/zinc/94/83/34/573948334.db2.gz UBUOYZDJFONINK-RKDXNWHRSA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)CCC(=O)[C@@H]2C=CC[C@@H]21 238206310 573948545 /nfs/dbraw/zinc/94/85/45/573948545.db2.gz LNOSXZVKMLEUMM-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN CC(=O)C(C)(C(C)C)C(C)C 238206202 573948585 /nfs/dbraw/zinc/94/85/85/573948585.db2.gz ZKIXWOQTGPDAJG-UHFFFAOYSA-N 0 0 156.269 2.894 10 0 AFAERN O[C@@H](c1cncs1)C1CCCCC1 87573022 573948592 /nfs/dbraw/zinc/94/85/92/573948592.db2.gz XQYBDQWVOIZNRE-SNVBAGLBSA-N 0 0 197.303 2.757 10 0 AFAERN CC1(C)CCC(=O)[C@@H]2C=CC[C@H]21 238206325 573948644 /nfs/dbraw/zinc/94/86/44/573948644.db2.gz LNOSXZVKMLEUMM-RKDXNWHRSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1nc(C2(C)CC2)sc1[C@@H](C)O 87553617 573948741 /nfs/dbraw/zinc/94/87/41/573948741.db2.gz MYJMJRBFBDTPOK-SSDOTTSWSA-N 0 0 197.303 2.556 10 0 AFAERN Cc1cc(C)c(OC(C)C)c(C)n1 238206201 573948856 /nfs/dbraw/zinc/94/88/56/573948856.db2.gz LQWGJKJVPOPQIB-UHFFFAOYSA-N 0 0 179.263 2.794 10 0 AFAERN Clc1cccc(Oc2ncc[nH]2)c1 257914862 573948874 /nfs/dbraw/zinc/94/88/74/573948874.db2.gz QINDCHAHMGFUAH-UHFFFAOYSA-N 0 0 194.621 2.855 10 0 AFAERN O[C@H](CC1CCCC1)c1cncs1 87572950 573949000 /nfs/dbraw/zinc/94/90/00/573949000.db2.gz BFIUKULJRGZGSX-SECBINFHSA-N 0 0 197.303 2.757 10 0 AFAERN CN(CC1CC1)c1ccnc(Cl)c1 223596496 573949101 /nfs/dbraw/zinc/94/91/01/573949101.db2.gz QGZAWDUQXZXQFH-UHFFFAOYSA-N 0 0 196.681 2.581 10 0 AFAERN CC(C)[C@@](C)(c1ccccc1)[C@H](C)O 238205253 573949160 /nfs/dbraw/zinc/94/91/60/573949160.db2.gz DULCYRODEUIPAT-WCQYABFASA-N 0 0 192.302 2.981 10 0 AFAERN CC[C@H](C)N(CC)C(=O)C(C)(C)C 81560949 573949164 /nfs/dbraw/zinc/94/91/64/573949164.db2.gz OWPNLVNUOGDCJT-VIFPVBQESA-N 0 0 185.311 2.680 10 0 AFAERN CC1(C)Sc2ccccc2[C@@H]1O 238206361 573949168 /nfs/dbraw/zinc/94/91/68/573949168.db2.gz LWAGYIGMFPCRPM-VIFPVBQESA-N 0 0 180.272 2.604 10 0 AFAERN CC1(C)CCC(=O)[C@@H]2CCC[C@@H]21 238206399 573949446 /nfs/dbraw/zinc/94/94/46/573949446.db2.gz IUEHXCZTJNZXBP-BDAKNGLRSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)CC=Nc2ccccc2[C@@H]1O 238206036 573949503 /nfs/dbraw/zinc/94/95/03/573949503.db2.gz JKELXNPADBCUAO-NSHDSACASA-N 0 0 189.258 2.852 10 0 AFAERN CC(C)c1ccc(N)c2c1C(=O)CC2 238204503 573949507 /nfs/dbraw/zinc/94/95/07/573949507.db2.gz CRNSENJDMCVXTL-UHFFFAOYSA-N 0 0 189.258 2.521 10 0 AFAERN CC[C@@H](C)n1ccc(C(F)(F)F)n1 85020373 573950450 /nfs/dbraw/zinc/95/04/50/573950450.db2.gz SAEJIWXLXSMNIB-ZCFIWIBFSA-N 0 0 192.184 2.873 10 0 AFAERN FC(F)(c1cccnc1)C1CC1 259026511 573949658 /nfs/dbraw/zinc/94/96/58/573949658.db2.gz QSDIJJMHTVLZBR-UHFFFAOYSA-N 0 0 169.174 2.583 10 0 AFAERN CCC(CC)n1ccc(C)n1 85020405 573950457 /nfs/dbraw/zinc/95/04/57/573950457.db2.gz VUXMMTLASLPKKQ-UHFFFAOYSA-N 0 0 152.241 2.553 10 0 AFAERN CC(=O)c1sc(C2(C)CC2)nc1C 87553437 573949736 /nfs/dbraw/zinc/94/97/36/573949736.db2.gz RMJDKYCEZLUMPC-UHFFFAOYSA-N 0 0 195.287 2.706 10 0 AFAERN O[C@H](c1cncs1)C1CCCCC1 87573023 573949955 /nfs/dbraw/zinc/94/99/55/573949955.db2.gz XQYBDQWVOIZNRE-JTQLQIEISA-N 0 0 197.303 2.757 10 0 AFAERN C[C@@H]1C=CC=CC(C)(C)CC1=O 238400311 573950005 /nfs/dbraw/zinc/95/00/05/573950005.db2.gz ABSKMJOAQBRCDG-SECBINFHSA-N 0 0 164.248 2.734 10 0 AFAERN Cc1cc(C)c([C@@H](O)C2CC2)c(F)c1 235839717 573950048 /nfs/dbraw/zinc/95/00/48/573950048.db2.gz KJYQXFMDYIDGES-LBPRGKRZSA-N 0 0 194.249 2.886 10 0 AFAERN O=C(CC1CCCC1)c1cncs1 87572607 573950152 /nfs/dbraw/zinc/95/01/52/573950152.db2.gz ZRJXGYROAUQKPN-UHFFFAOYSA-N 0 0 195.287 2.906 10 0 AFAERN CCC(O)(CC)c1ccc(C)cc1O 238208036 573950176 /nfs/dbraw/zinc/95/01/76/573950176.db2.gz RKXXBABZGNSZLN-UHFFFAOYSA-N 0 0 194.274 2.708 10 0 AFAERN CC1(C)CCC(=O)[C@H]2C=CC[C@@H]21 238207267 573950249 /nfs/dbraw/zinc/95/02/49/573950249.db2.gz LNOSXZVKMLEUMM-IUCAKERBSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1cccc2c(C(C)(C)O)coc12 257914370 573950251 /nfs/dbraw/zinc/95/02/51/573950251.db2.gz NTZSNWGDBLNFIS-UHFFFAOYSA-N 0 0 190.242 2.969 10 0 AFAERN Cc1cc(Cl)nc(OC(C)C)c1 238208469 573950306 /nfs/dbraw/zinc/95/03/06/573950306.db2.gz YVWXZSKDLKPEPA-UHFFFAOYSA-N 0 0 185.654 2.831 10 0 AFAERN CC(=O)CC(=C(C)C)C(C)C 238208039 573950331 /nfs/dbraw/zinc/95/03/31/573950331.db2.gz LCNKYNFWKJOTOC-UHFFFAOYSA-N 0 0 154.253 2.958 10 0 AFAERN CCCCn1nc2c(c1Cl)CCC2 85019340 573950351 /nfs/dbraw/zinc/95/03/51/573950351.db2.gz JFVWPPYAVBKFSV-UHFFFAOYSA-N 0 0 198.697 2.825 10 0 AFAERN CCn1nc(C)c(C(C)C)c1Cl 85019190 573950531 /nfs/dbraw/zinc/95/05/31/573950531.db2.gz MWDLKOUGEIAUPA-UHFFFAOYSA-N 0 0 186.686 2.988 10 0 AFAERN CCCc1cc(Cl)n(CC)n1 85019171 573950540 /nfs/dbraw/zinc/95/05/40/573950540.db2.gz AXGRDRGFWQNGFP-UHFFFAOYSA-N 0 0 172.659 2.509 10 0 AFAERN CCCCn1nc(C)c(C)c1Cl 85019347 573950556 /nfs/dbraw/zinc/95/05/56/573950556.db2.gz DGVWMYKRNKJIGV-UHFFFAOYSA-N 0 0 186.686 2.953 10 0 AFAERN CC1(C)CCC(=O)c2c(O)cccc21 238207642 573950584 /nfs/dbraw/zinc/95/05/84/573950584.db2.gz AOUBPRARUPYVDT-UHFFFAOYSA-N 0 0 190.242 2.646 10 0 AFAERN CCC(O)(CC)c1cc(C)ccc1O 238207934 573950969 /nfs/dbraw/zinc/95/09/69/573950969.db2.gz MKRKZBROHTTYLX-UHFFFAOYSA-N 0 0 194.274 2.708 10 0 AFAERN CCn1nc(C(C)C)cc1Cl 85019188 573950618 /nfs/dbraw/zinc/95/06/18/573950618.db2.gz JTGQKWOGXPYTMJ-UHFFFAOYSA-N 0 0 172.659 2.680 10 0 AFAERN C=Cc1cccc(O)c1OC(C)C 238206950 573950623 /nfs/dbraw/zinc/95/06/23/573950623.db2.gz DZMZPIDOXDRQQM-UHFFFAOYSA-N 0 0 178.231 2.822 10 0 AFAERN Cc1cc(Cl)n(C(C)(C)C)n1 85018795 573950638 /nfs/dbraw/zinc/95/06/38/573950638.db2.gz SCQLZXQHBHOECY-UHFFFAOYSA-N 0 0 172.659 2.600 10 0 AFAERN CCC(O)(CC)c1cccc(C)c1O 238208224 573950644 /nfs/dbraw/zinc/95/06/44/573950644.db2.gz RVFJLOUKMNOIRM-UHFFFAOYSA-N 0 0 194.274 2.708 10 0 AFAERN Cc1nn(CC(C)C)c(Cl)c1C 85018861 573950649 /nfs/dbraw/zinc/95/06/49/573950649.db2.gz IKDSOJCCPNAERL-UHFFFAOYSA-N 0 0 186.686 2.809 10 0 AFAERN CC[C@@H](C)n1nc2c(c1Cl)CCC2 85019392 573950709 /nfs/dbraw/zinc/95/07/09/573950709.db2.gz QYBYRIIBDCWXSY-SSDOTTSWSA-N 0 0 198.697 2.996 10 0 AFAERN CCOC(=O)NC1CCC(C)(C)CC1 81560195 573950711 /nfs/dbraw/zinc/95/07/11/573950711.db2.gz MJAMIUFCUXMCAY-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN CCC(O)(CC)c1ccccc1NC 238208290 573950716 /nfs/dbraw/zinc/95/07/16/573950716.db2.gz DCLVMNXVFRTEKM-UHFFFAOYSA-N 0 0 193.290 2.736 10 0 AFAERN CCCCn1nc(C)cc1Cl 85019336 573950740 /nfs/dbraw/zinc/95/07/40/573950740.db2.gz JJUSJLAZYLNJSN-UHFFFAOYSA-N 0 0 172.659 2.645 10 0 AFAERN FC(F)(c1ccc[nH]1)C1CC1 259026519 573950741 /nfs/dbraw/zinc/95/07/41/573950741.db2.gz QSMFEHSRVJAULE-UHFFFAOYSA-N 0 0 157.163 2.517 10 0 AFAERN CCCn1nc(CC)c(C)c1Cl 85019223 573950817 /nfs/dbraw/zinc/95/08/17/573950817.db2.gz MNNMSWYOOKDZSO-UHFFFAOYSA-N 0 0 186.686 2.817 10 0 AFAERN Cc1ccc2[nH]c3cnc(N)cc3c2c1 258186876 573950842 /nfs/dbraw/zinc/95/08/42/573950842.db2.gz VPHDSQVFQSYFTC-UHFFFAOYSA-N 0 0 197.241 2.607 10 0 AFAERN CCn1nc(C(C)(C)C)cc1Cl 85019177 573950867 /nfs/dbraw/zinc/95/08/67/573950867.db2.gz VVMUNYFDLDUKDG-UHFFFAOYSA-N 0 0 186.686 2.854 10 0 AFAERN CC[C@H](C)n1ccc(C(F)F)n1 85020392 573950933 /nfs/dbraw/zinc/95/09/33/573950933.db2.gz NEYJGPMFVWDEBW-LURJTMIESA-N 0 0 174.194 2.792 10 0 AFAERN Cc1cc(Cl)n([C@H](C)C2CC2)n1 85019518 573950938 /nfs/dbraw/zinc/95/09/38/573950938.db2.gz RFAMRQWPABRNMB-SSDOTTSWSA-N 0 0 184.670 2.816 10 0 AFAERN CCc1ccn(-c2ccccc2F)n1 85020098 573952879 /nfs/dbraw/zinc/95/28/79/573952879.db2.gz DFXNXRNEEBTWLA-UHFFFAOYSA-N 0 0 190.221 2.574 10 0 AFAERN CCCn1nc(C)c(CC)c1Cl 85019205 573953097 /nfs/dbraw/zinc/95/30/97/573953097.db2.gz HUEOXTVBCWXIFL-UHFFFAOYSA-N 0 0 186.686 2.817 10 0 AFAERN Cc1nn(C)c(Cl)c1C(C)C 85018556 573953125 /nfs/dbraw/zinc/95/31/25/573953125.db2.gz IFEWHDOFUGKQON-UHFFFAOYSA-N 0 0 172.659 2.505 10 0 AFAERN CCCn1nc(C2CC2)cc1Cl 85019219 573953130 /nfs/dbraw/zinc/95/31/30/573953130.db2.gz ILSMTOXESJNDTK-UHFFFAOYSA-N 0 0 184.670 2.824 10 0 AFAERN CCc1c(C)nn(C(C)C)c1Cl 85019114 573953040 /nfs/dbraw/zinc/95/30/40/573953040.db2.gz HUUWGMNDWZSYMF-UHFFFAOYSA-N 0 0 186.686 2.988 10 0 AFAERN Cc1cc(Cl)n(CCC(C)C)n1 85019590 573953047 /nfs/dbraw/zinc/95/30/47/573953047.db2.gz AWQWWFJFARPKEJ-UHFFFAOYSA-N 0 0 186.686 2.891 10 0 AFAERN COCc1ccn(C2CCCCC2)n1 85020334 573953162 /nfs/dbraw/zinc/95/31/62/573953162.db2.gz MXJWCKQCQYACRC-UHFFFAOYSA-N 0 0 194.278 2.535 10 0 AFAERN CCC[C@@H](C)n1nc(C)c(C=O)c1C 233286763 573952603 /nfs/dbraw/zinc/95/26/03/573952603.db2.gz UBRCNURBCPFECG-MRVPVSSYSA-N 0 0 194.278 2.674 10 0 AFAERN CC[C@@H](C)n1ccc(C(C)C)n1 85020397 573952652 /nfs/dbraw/zinc/95/26/52/573952652.db2.gz SDSPLGSSHLEXNB-SECBINFHSA-N 0 0 166.268 2.978 10 0 AFAERN Cc1cc(C)cc(-n2ccc(C)n2)c1 85020225 573952674 /nfs/dbraw/zinc/95/26/74/573952674.db2.gz NZJFRFLSWBXBSS-UHFFFAOYSA-N 0 0 186.258 2.798 10 0 AFAERN CCn1c(C)cc2cc(C=O)ccc21 257910303 573952725 /nfs/dbraw/zinc/95/27/25/573952725.db2.gz BHMNCBXDIISGPC-UHFFFAOYSA-N 0 0 187.242 2.782 10 0 AFAERN CC[C@H](C)n1nc2c(c1Cl)CCC2 85019393 573952781 /nfs/dbraw/zinc/95/27/81/573952781.db2.gz QYBYRIIBDCWXSY-ZETCQYMHSA-N 0 0 198.697 2.996 10 0 AFAERN O=C(CCC[C@H]1CCCO1)CC1CC1 87580954 573952794 /nfs/dbraw/zinc/95/27/94/573952794.db2.gz MRUCHLUQVARYBH-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN COCNc1cc(C)c(C)cc1C 259027113 573952856 /nfs/dbraw/zinc/95/28/56/573952856.db2.gz HRSKOIRWKVYJBY-UHFFFAOYSA-N 0 0 179.263 2.628 10 0 AFAERN CC1(C)CCC(=O)[C@H]2C=CC[C@H]21 238207283 573952870 /nfs/dbraw/zinc/95/28/70/573952870.db2.gz LNOSXZVKMLEUMM-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN Cc1ccccc1Oc1ncc[nH]1 257909687 573952897 /nfs/dbraw/zinc/95/28/97/573952897.db2.gz PPELPIZGYQWVFE-UHFFFAOYSA-N 0 0 174.203 2.510 10 0 AFAERN FC(F)c1ccn(-c2ccccc2)n1 85020018 573952921 /nfs/dbraw/zinc/95/29/21/573952921.db2.gz MMKOHOJWQZKFKL-UHFFFAOYSA-N 0 0 194.184 2.810 10 0 AFAERN CC1(C)CCC(=O)[C@H]2CCC[C@H]21 238207363 573952984 /nfs/dbraw/zinc/95/29/84/573952984.db2.gz IUEHXCZTJNZXBP-DTWKUNHWSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)C2=CCCC[C@H]2CC[C@@H]1O 238209581 573954453 /nfs/dbraw/zinc/95/44/53/573954453.db2.gz BTRGLFRTRSLJMP-ONGXEEELSA-N 0 0 180.291 2.894 10 0 AFAERN CC[C@@]1(O)CCC[C@@H](C2CC2)C1 81647955 573954454 /nfs/dbraw/zinc/95/44/54/573954454.db2.gz KPGAXHMAXQXCKF-GHMZBOCLSA-N 0 0 168.280 2.728 10 0 AFAERN Cc1cccc2c1C1(CCN2)CC1 257915661 573954448 /nfs/dbraw/zinc/95/44/48/573954448.db2.gz QTZYNCLOPAHSPV-UHFFFAOYSA-N 0 0 173.259 2.842 10 0 AFAERN Cc1ccc(F)c([C@H](O)CC2CC2)c1 87581274 573954083 /nfs/dbraw/zinc/95/40/83/573954083.db2.gz WOHBEOKJSKSDIT-GFCCVEGCSA-N 0 0 194.249 2.968 10 0 AFAERN Cc1ccc(NCC2CCC2)c(C)n1 87584666 573954106 /nfs/dbraw/zinc/95/41/06/573954106.db2.gz CLWUCQIRIAWQBB-UHFFFAOYSA-N 0 0 190.290 2.910 10 0 AFAERN CC1(C)C2=CCCC[C@@H]2CC[C@@H]1O 238209594 573954189 /nfs/dbraw/zinc/95/41/89/573954189.db2.gz BTRGLFRTRSLJMP-KOLCDFICSA-N 0 0 180.291 2.894 10 0 AFAERN CC1(C)C(=O)C[C@@H]2CCC=C[C@H]21 238210625 573954250 /nfs/dbraw/zinc/95/42/50/573954250.db2.gz FZIVJQTWNYOUMJ-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN CC(C)[C@]1(C)OC[C@H](C)CS1 238209048 573954280 /nfs/dbraw/zinc/95/42/80/573954280.db2.gz OZMQFKCKEVZXEF-DTWKUNHWSA-N 0 0 174.309 2.758 10 0 AFAERN O[C@H](CC1CC1)c1cccc(F)c1F 87581505 573954378 /nfs/dbraw/zinc/95/43/78/573954378.db2.gz XFMIPAXHGISHQT-SNVBAGLBSA-N 0 0 198.212 2.798 10 0 AFAERN CC(=O)[C@@H](F)c1ccc(Cl)cc1 257915663 573954418 /nfs/dbraw/zinc/95/44/18/573954418.db2.gz QUCXCQKPIZVMAQ-SECBINFHSA-N 0 0 186.613 2.940 10 0 AFAERN CO[C@H](C)CC(=O)C1CCCCCC1 127884285 573956860 /nfs/dbraw/zinc/95/68/60/573956860.db2.gz GONOCHIVJIPUHS-SNVBAGLBSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)NC12CCC(C)(CC1)CC2 238208817 573956846 /nfs/dbraw/zinc/95/68/46/573956846.db2.gz SZKGFCWODBOCPI-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CC1(C)CCC2=C(C[C@@H](O)C2)C1 238209488 573957043 /nfs/dbraw/zinc/95/70/43/573957043.db2.gz FQKSXSXPOGXNLC-JTQLQIEISA-N 0 0 166.264 2.648 10 0 AFAERN CC1(C)C(=O)C[C@H]2CCC=C[C@H]21 238210576 573957049 /nfs/dbraw/zinc/95/70/49/573957049.db2.gz FZIVJQTWNYOUMJ-RKDXNWHRSA-N 0 0 164.248 2.568 10 0 AFAERN Oc1ccc(NCC2CCC2)cc1F 87584660 573956091 /nfs/dbraw/zinc/95/60/91/573956091.db2.gz PINLKNTXODCVNO-UHFFFAOYSA-N 0 0 195.237 2.743 10 0 AFAERN Cc1occc1S[C@@H]1CCC[C@@H]1O 235841954 573956117 /nfs/dbraw/zinc/95/61/17/573956117.db2.gz JJDCCPVAWVRJOJ-WCBMZHEXSA-N 0 0 198.287 2.594 10 0 AFAERN CC(C)[C@@]12CC[C@@]3(C)[C@@H](C1)[C@H]3C2=O 238210157 573956139 /nfs/dbraw/zinc/95/61/39/573956139.db2.gz NGRYQFIQGHPQKG-FSZOTQKASA-N 0 0 178.275 2.648 10 0 AFAERN C[C@@](N)(F)C1=CCCCCC1 257911681 573956140 /nfs/dbraw/zinc/95/61/40/573956140.db2.gz AOANSEXDUFAUDF-VIFPVBQESA-N 0 0 157.232 2.521 10 0 AFAERN CC[C@]1(CO)CCCc2ccccc21 85040144 573956205 /nfs/dbraw/zinc/95/62/05/573956205.db2.gz XYMMSMPZTUYOMR-CYBMUJFWSA-N 0 0 190.286 2.663 10 0 AFAERN CC[C@H](CO)CC1CCCC1 85041238 573956262 /nfs/dbraw/zinc/95/62/62/573956262.db2.gz BGYVAQALTVNMHB-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN CCC(CC)CC(=O)C[C@H]1CCCO1 127887899 573956270 /nfs/dbraw/zinc/95/62/70/573956270.db2.gz OHTAMKRSHIQXTN-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CC1=C(CCO)C(C)(C)C1(C)C 238209032 573956319 /nfs/dbraw/zinc/95/63/19/573956319.db2.gz QNNYMBNQAGBYSM-UHFFFAOYSA-N 0 0 168.280 2.751 10 0 AFAERN CC(C)[C@]1(C)O[C@@H](C)CS1 238209082 573956323 /nfs/dbraw/zinc/95/63/23/573956323.db2.gz ZJRIRHNYIJKQAS-JGVFFNPUSA-N 0 0 160.282 2.511 10 0 AFAERN CC1=C(CCO)C(C)(C)CC=C1 238209053 573956443 /nfs/dbraw/zinc/95/64/43/573956443.db2.gz WQSCKQYDVMWQRH-UHFFFAOYSA-N 0 0 166.264 2.671 10 0 AFAERN C[C@@H](CO)Cc1ccc(Cl)s1 85038949 573956499 /nfs/dbraw/zinc/95/64/99/573956499.db2.gz WZCJGFYYDMOOBC-ZCFIWIBFSA-N 0 0 190.695 2.572 10 0 AFAERN CC[C@@H](CO)CC1CCCC1 85041240 573956644 /nfs/dbraw/zinc/95/66/44/573956644.db2.gz BGYVAQALTVNMHB-SECBINFHSA-N 0 0 156.269 2.585 10 0 AFAERN CC[C@@]1(O)CCC[C@H](C2CC2)C1 81647948 573956682 /nfs/dbraw/zinc/95/66/82/573956682.db2.gz KPGAXHMAXQXCKF-WDEREUQCSA-N 0 0 168.280 2.728 10 0 AFAERN C[C@@H](O)c1ccc2occc2c1F 257911586 573956748 /nfs/dbraw/zinc/95/67/48/573956748.db2.gz ATGFNXBJGZIUSC-ZCFIWIBFSA-N 0 0 180.178 2.625 10 0 AFAERN CC1(C)CCC2=C[C@@H](O)C[C@H]2C1 238209588 573956761 /nfs/dbraw/zinc/95/67/61/573956761.db2.gz RWKPQAVCTQNPEM-VHSXEESVSA-N 0 0 166.264 2.504 10 0 AFAERN C[C@](N)(F)C1=CCCCCC1 257911679 573956782 /nfs/dbraw/zinc/95/67/82/573956782.db2.gz AOANSEXDUFAUDF-SECBINFHSA-N 0 0 157.232 2.521 10 0 AFAERN CC[C@]1(O)CCC[C@H](C2CC2)C1 81647946 573956872 /nfs/dbraw/zinc/95/68/72/573956872.db2.gz KPGAXHMAXQXCKF-QWRGUYRKSA-N 0 0 168.280 2.728 10 0 AFAERN CC(C)[C@]1(O)CCC[C@@H](C2CC2)C1 81646883 573956889 /nfs/dbraw/zinc/95/68/89/573956889.db2.gz CGJVFDILRXNPRE-NEPJUHHUSA-N 0 0 182.307 2.974 10 0 AFAERN CO[C@@H](C)CC(=O)C1CCCCCC1 127884027 573956909 /nfs/dbraw/zinc/95/69/09/573956909.db2.gz GONOCHIVJIPUHS-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN C/C(=C\Br)C(C)C 238210202 573956927 /nfs/dbraw/zinc/95/69/27/573956927.db2.gz OMBCZKPDUVVUCO-GQCTYLIASA-N 0 0 163.058 2.941 10 0 AFAERN CC(C)[C@]1(O)CCC[C@H](C2CC2)C1 81646876 573956981 /nfs/dbraw/zinc/95/69/81/573956981.db2.gz CGJVFDILRXNPRE-RYUDHWBXSA-N 0 0 182.307 2.974 10 0 AFAERN CC1(C)[C@@H]2CCC[C@@]23C(=O)CC[C@@H]13 238212485 573958015 /nfs/dbraw/zinc/95/80/15/573958015.db2.gz LPBZLBNQFUKDQG-HOTUBEGUSA-N 0 0 178.275 2.792 10 0 AFAERN C[C@H](O)c1cc2c(O)cccc2s1 257912535 573958109 /nfs/dbraw/zinc/95/81/09/573958109.db2.gz NRVAZYDZPLSCPA-LURJTMIESA-N 0 0 194.255 2.660 10 0 AFAERN Cc1cc(C)c(C[C@@H](C)CO)c(C)c1 85038985 573958111 /nfs/dbraw/zinc/95/81/11/573958111.db2.gz NKANQIQAZUPKQO-SNVBAGLBSA-N 0 0 192.302 2.783 10 0 AFAERN CC1(C)C(=O)C[C@H]2CCCC[C@H]21 238212094 573958119 /nfs/dbraw/zinc/95/81/19/573958119.db2.gz GQDHQUDIEVXOQR-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN CO[C@@H](C)CC(=O)c1sccc1C 127901645 573958142 /nfs/dbraw/zinc/95/81/42/573958142.db2.gz WYZCRPRTQLJKQI-QMMMGPOBSA-N 0 0 198.287 2.664 10 0 AFAERN CC1(C)C(=O)C[C@H]2C=CCC[C@H]21 238211909 573958258 /nfs/dbraw/zinc/95/82/58/573958258.db2.gz DTBVVKOAXWQCSJ-RKDXNWHRSA-N 0 0 164.248 2.568 10 0 AFAERN CC1=C[C@@H](C)CC[C@@]1(O)C(C)C 238211117 573958304 /nfs/dbraw/zinc/95/83/04/573958304.db2.gz ZEBCAPFZRROLHD-GXSJLCMTSA-N 0 0 168.280 2.750 10 0 AFAERN CCc1ccc(Cl)cc1C[C@H](C)O 258190890 573958410 /nfs/dbraw/zinc/95/84/10/573958410.db2.gz RQIMXSMZRMUJDT-QMMMGPOBSA-N 0 0 198.693 2.826 10 0 AFAERN Nc1cc(Cl)nc(C2CCC2)c1 257911424 573958487 /nfs/dbraw/zinc/95/84/87/573958487.db2.gz QGTUOFBAOHMKNC-UHFFFAOYSA-N 0 0 182.654 2.585 10 0 AFAERN CCCC1Nc2ccccc2N1 238212015 573960643 /nfs/dbraw/zinc/96/06/43/573960643.db2.gz LZVYGIPGNKZJNU-UHFFFAOYSA-N 0 0 162.236 2.650 10 0 AFAERN CC1(C)CCC[C@@]2(C)C[C@@H](O)[C@@H]3C[C@]312 238212105 573959625 /nfs/dbraw/zinc/95/96/25/573959625.db2.gz QTNNEUCGBBWESM-LFSVMHDDSA-N 0 0 194.318 2.974 10 0 AFAERN CC(/C=C/CC(C)C)=C\CO 238211495 573959715 /nfs/dbraw/zinc/95/97/15/573959715.db2.gz COKJYWNZRDWYJV-AGLLBGTNSA-N 0 0 154.253 2.527 10 0 AFAERN C[C@@H]1Cc2ccc([C@@H](C)O)cc2S1 257920047 573959792 /nfs/dbraw/zinc/95/97/92/573959792.db2.gz BXHZRHMSWQGKGJ-HTQZYQBOSA-N 0 0 194.299 2.777 10 0 AFAERN CC1(C)CCC[C@@]2(C)C[C@H](O)[C@@H]3C[C@]312 238212118 573959871 /nfs/dbraw/zinc/95/98/71/573959871.db2.gz QTNNEUCGBBWESM-UKJIMTQDSA-N 0 0 194.318 2.974 10 0 AFAERN C[C@H]1Cc2ccc([C@H](C)O)cc2S1 257920064 573959894 /nfs/dbraw/zinc/95/98/94/573959894.db2.gz BXHZRHMSWQGKGJ-YUMQZZPRSA-N 0 0 194.299 2.777 10 0 AFAERN FC(F)[C@@H]1NCCCc2ccccc21 257913233 573959943 /nfs/dbraw/zinc/95/99/43/573959943.db2.gz BAVMFSIQYGFYCU-SNVBAGLBSA-N 0 0 197.228 2.529 10 0 AFAERN Cc1nccn1C[C@H]1CC=CCC1 402399971 573959973 /nfs/dbraw/zinc/95/99/73/573959973.db2.gz NPYRCXYHNAIWGG-NSHDSACASA-N 0 0 176.263 2.548 10 0 AFAERN Cc1cc(C(C)C)c(O)c(N)c1C 257920834 573962106 /nfs/dbraw/zinc/96/21/06/573962106.db2.gz RJUQYHBKTUNTLD-UHFFFAOYSA-N 0 0 179.263 2.715 10 0 AFAERN Nc1sc(C2CC2)nc1C1CCC1 87586021 573960032 /nfs/dbraw/zinc/96/00/32/573960032.db2.gz ZKQHRWOJJNFULB-UHFFFAOYSA-N 0 0 194.303 2.870 10 0 AFAERN CC1(C)C(=O)CC[C@H]2CCC[C@H]21 238212271 573960058 /nfs/dbraw/zinc/96/00/58/573960058.db2.gz CCRNUDLSYMRHDS-RKDXNWHRSA-N 0 0 166.264 2.792 10 0 AFAERN C[C@@H](CO)c1csc(C(C)(C)C)n1 257920130 573960066 /nfs/dbraw/zinc/96/00/66/573960066.db2.gz DEDFMIXCPCERBA-ZETCQYMHSA-N 0 0 199.319 2.536 10 0 AFAERN C[C@H]1Cc2ccc([C@@H](C)O)cc2S1 257920052 573960253 /nfs/dbraw/zinc/96/02/53/573960253.db2.gz BXHZRHMSWQGKGJ-JGVFFNPUSA-N 0 0 194.299 2.777 10 0 AFAERN CC/C=C(/C)C[C@@H](O)C(C)C 238215659 573960256 /nfs/dbraw/zinc/96/02/56/573960256.db2.gz WCSQVSWINALGKE-ABRRARGCSA-N 0 0 156.269 2.750 10 0 AFAERN CC/C(=C/c1ccccc1)[C@H](C)O 238211932 573960266 /nfs/dbraw/zinc/96/02/66/573960266.db2.gz QQQSIXUSQWYCLI-JMZICWNOSA-N 0 0 176.259 2.861 10 0 AFAERN C[C@H](O)c1ccc2c(c1)S[C@H](C)C2 257920057 573960279 /nfs/dbraw/zinc/96/02/79/573960279.db2.gz BXHZRHMSWQGKGJ-SFYZADRCSA-N 0 0 194.299 2.777 10 0 AFAERN CC1C[C@@H]2CCC(=O)CC[C@H]2C1 238211731 573960289 /nfs/dbraw/zinc/96/02/89/573960289.db2.gz FHYUROXWKKBMDD-UWVGGRQHSA-N 0 0 166.264 2.792 10 0 AFAERN CCSCc1ccc(F)c(O)c1 258191250 573960309 /nfs/dbraw/zinc/96/03/09/573960309.db2.gz UHVUFCXZJJUQGE-UHFFFAOYSA-N 0 0 186.251 2.784 10 0 AFAERN CC(C)C(c1ocnc1CO)C(C)C 308472025 573960332 /nfs/dbraw/zinc/96/03/32/573960332.db2.gz JTANQMCVAXJZFP-UHFFFAOYSA-N 0 0 197.278 2.563 10 0 AFAERN CO[C@@H](C)CC(=O)CCCC(C)C 127884736 573960355 /nfs/dbraw/zinc/96/03/55/573960355.db2.gz PEKUJDFRVSLIBQ-JTQLQIEISA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)c1ccc2c(c1)NCCC2=O 238212851 573960414 /nfs/dbraw/zinc/96/04/14/573960414.db2.gz KGJWAJIJXNCPPF-UHFFFAOYSA-N 0 0 189.258 2.808 10 0 AFAERN CC1(C)C(=O)C[C@@H]2CCCC[C@H]21 238212145 573960547 /nfs/dbraw/zinc/96/05/47/573960547.db2.gz GQDHQUDIEVXOQR-DTWKUNHWSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)C(=O)CC[C@@H]2CCC[C@H]21 238212431 573960675 /nfs/dbraw/zinc/96/06/75/573960675.db2.gz CCRNUDLSYMRHDS-DTWKUNHWSA-N 0 0 166.264 2.792 10 0 AFAERN CC1(C)[C@@H]2CCC[C@@]23CCC(=O)[C@@H]13 238212332 573960684 /nfs/dbraw/zinc/96/06/84/573960684.db2.gz DYEKYZGCBWQUGU-JBLDHEPKSA-N 0 0 178.275 2.792 10 0 AFAERN CO[C@H](C)CC(=O)CCCC(C)C 127884525 573960723 /nfs/dbraw/zinc/96/07/23/573960723.db2.gz PEKUJDFRVSLIBQ-SNVBAGLBSA-N 0 0 186.295 2.807 10 0 AFAERN CC(C)[C@]12CCCC(=O)[C@@H]1CC2 238211836 573960979 /nfs/dbraw/zinc/96/09/79/573960979.db2.gz UPTVLASMUHEWDH-GXSJLCMTSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@](C)(CO)Cc1ccc(C)cc1 85039412 573961120 /nfs/dbraw/zinc/96/11/20/573961120.db2.gz LSNCRSUPPVOQSI-ZDUSSCGKSA-N 0 0 192.302 2.946 10 0 AFAERN CCC=C=C[C@@H](CC)[C@@H](C)O 238216711 573962159 /nfs/dbraw/zinc/96/21/59/573962159.db2.gz WEMADARFBCRTDU-RWBYNWAKSA-N 0 0 154.253 2.515 10 0 AFAERN CCC(CC)CC(=O)C[C@@H]1CCCO1 127887660 573961223 /nfs/dbraw/zinc/96/12/23/573961223.db2.gz OHTAMKRSHIQXTN-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN CC[C@@]1(CO)CCCc2ccccc21 85040146 573961246 /nfs/dbraw/zinc/96/12/46/573961246.db2.gz XYMMSMPZTUYOMR-ZDUSSCGKSA-N 0 0 190.286 2.663 10 0 AFAERN C[C@H](CO)Cc1ccc(Cl)s1 85038947 573961285 /nfs/dbraw/zinc/96/12/85/573961285.db2.gz WZCJGFYYDMOOBC-LURJTMIESA-N 0 0 190.695 2.572 10 0 AFAERN C=COc1ccc(NC(=O)CC)cc1 238215633 573961395 /nfs/dbraw/zinc/96/13/95/573961395.db2.gz SXBZDRNKYSYGFU-UHFFFAOYSA-N 0 0 191.230 2.557 10 0 AFAERN CCc1ccc(Cl)cc1C[C@@H](C)O 258190889 573961402 /nfs/dbraw/zinc/96/14/02/573961402.db2.gz RQIMXSMZRMUJDT-MRVPVSSYSA-N 0 0 198.693 2.826 10 0 AFAERN CC/C=C(/C)C[C@H](O)C(C)C 238215728 573961447 /nfs/dbraw/zinc/96/14/47/573961447.db2.gz 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/nfs/dbraw/zinc/96/42/49/573964249.db2.gz RNXMREIWQLXNCE-HTQZYQBOSA-N 0 0 166.264 2.648 10 0 AFAERN CC1(C)C2=CCC[C@@H](O)[C@@]23CC[C@@H]1C3 238217151 573964288 /nfs/dbraw/zinc/96/42/88/573964288.db2.gz YSMRZGXAFUWFHD-IRUJWGPZSA-N 0 0 192.302 2.894 10 0 AFAERN CCC/C=C/[C@@H]1C[C@H]1C(C)=O 238216058 573964319 /nfs/dbraw/zinc/96/43/19/573964319.db2.gz RSONIAUAOYLFIY-ROSGPLSXSA-N 0 0 152.237 2.568 10 0 AFAERN CC/C=C(/CC)[C@@H](O)CC 238217024 573964382 /nfs/dbraw/zinc/96/43/82/573964382.db2.gz IVNTYJBXUUYMNO-FUOZMLNRSA-N 0 0 142.242 2.504 10 0 AFAERN CC/C=C(/C)[C@@H](O)c1ccc(C)o1 238216211 573964395 /nfs/dbraw/zinc/96/43/95/573964395.db2.gz RQIZHVDRBNKXJL-UIJKISKDSA-N 0 0 180.247 2.978 10 0 AFAERN CCC=C=C[C@@H](CC)[C@H](C)O 238216748 573964401 /nfs/dbraw/zinc/96/44/01/573964401.db2.gz WEMADARFBCRTDU-VYDKEIKOSA-N 0 0 154.253 2.515 10 0 AFAERN CC(C)SC1=CCC(=O)S1 104257462 573964550 /nfs/dbraw/zinc/96/45/50/573964550.db2.gz ZVHMODGIPXRCKP-UHFFFAOYSA-N 0 0 174.290 2.954 10 0 AFAERN CO[C@@H](C)CC(=O)CCC(C)(C)C 127891603 573964685 /nfs/dbraw/zinc/96/46/85/573964685.db2.gz JDJIZFBKDHTJRZ-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN CCCCNc1ccc(N)c(F)c1 259029299 573964738 /nfs/dbraw/zinc/96/47/38/573964738.db2.gz SVKXUKMEBSNEQP-UHFFFAOYSA-N 0 0 182.242 2.620 10 0 AFAERN CCC[C@H](C)CC(=O)C[C@H](C)OC 127890951 573964852 /nfs/dbraw/zinc/96/48/52/573964852.db2.gz UCCFCRMDHWDKIQ-UWVGGRQHSA-N 0 0 186.295 2.807 10 0 AFAERN CCC/C=C/[C@@H]1C(=O)[C@H]2CCC[C@H]21 238218142 573964915 /nfs/dbraw/zinc/96/49/15/573964915.db2.gz WKPOLWIXYJISEY-IOFYFXLNSA-N 0 0 178.275 2.958 10 0 AFAERN CCCCCC(=O)c1cscn1 87588898 573964994 /nfs/dbraw/zinc/96/49/94/573964994.db2.gz KWGVNOKRLCZBDC-UHFFFAOYSA-N 0 0 183.276 2.906 10 0 AFAERN CC1=CC[C@H]([C@@H](O)C(C)C)[C@@H](C)C1 238219153 573965138 /nfs/dbraw/zinc/96/51/38/573965138.db2.gz YNDVFZWFABYUPU-SRVKXCTJSA-N 0 0 182.307 2.996 10 0 AFAERN O[C@H](c1cscn1)C1CCCCC1 87589144 573965167 /nfs/dbraw/zinc/96/51/67/573965167.db2.gz 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573966646 /nfs/dbraw/zinc/96/66/46/573966646.db2.gz GBRIAFHVTPTHRM-QMMMGPOBSA-N 0 0 142.242 2.504 10 0 AFAERN CC(C)c1cccc2c1COCC2 238218833 573966653 /nfs/dbraw/zinc/96/66/53/573966653.db2.gz MPVWXDFUXXWLQX-UHFFFAOYSA-N 0 0 176.259 2.883 10 0 AFAERN Nc1ccc2occc2c1Cl 82320395 573966669 /nfs/dbraw/zinc/96/66/69/573966669.db2.gz IAUVSRALCVACAP-UHFFFAOYSA-N 0 0 167.595 2.668 10 0 AFAERN CC(C)[C@H](O)[C@@H]1C=CCC=CC1 238219167 573966748 /nfs/dbraw/zinc/96/67/48/573966748.db2.gz LHEADKYPCRVVOC-QWRGUYRKSA-N 0 0 166.264 2.526 10 0 AFAERN CC1(C)CCC[C@@]12[C@H]1C(=O)CC[C@H]12 238218522 573966821 /nfs/dbraw/zinc/96/68/21/573966821.db2.gz PBRHRGREFNCQOY-HLUHBDAQSA-N 0 0 178.275 2.792 10 0 AFAERN Cc1ccc(Cl)c(C[C@H](C)O)c1 258192056 573966912 /nfs/dbraw/zinc/96/69/12/573966912.db2.gz XOKYTOVUWQVAGA-QMMMGPOBSA-N 0 0 184.666 2.572 10 0 AFAERN CSc1cc(CCCO)ccc1C 258192089 573966929 /nfs/dbraw/zinc/96/69/29/573966929.db2.gz XOWYMIKPJBEMQH-UHFFFAOYSA-N 0 0 196.315 2.642 10 0 AFAERN CC(C)/C=C/[C@@H]1CCC[C@H](O)C1 238219470 573966949 /nfs/dbraw/zinc/96/69/49/573966949.db2.gz PVYUBRFRCZMHJR-JYLGIWJRSA-N 0 0 168.280 2.750 10 0 AFAERN CC(C)c1cccc2c1CC(=O)CC2 238218618 573966974 /nfs/dbraw/zinc/96/69/74/573966974.db2.gz QPLPZYUQOJKTHE-UHFFFAOYSA-N 0 0 188.270 2.868 10 0 AFAERN Cc1c[nH]c(=O)c2c(Cl)cccc12 258192324 573967273 /nfs/dbraw/zinc/96/72/73/573967273.db2.gz NDRLNJPLRYTAGM-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CC(C)/C=C/[C@@H]1[C@H]2C(=O)CC[C@@]12C 238219740 573967050 /nfs/dbraw/zinc/96/70/50/573967050.db2.gz MOCIRXHMEHUDDQ-AKPMJDEKSA-N 0 0 178.275 2.814 10 0 AFAERN CCC[C@@H](C)CC(=O)C[C@H](C)OC 127890723 573967067 /nfs/dbraw/zinc/96/70/67/573967067.db2.gz UCCFCRMDHWDKIQ-ZJUUUORDSA-N 0 0 186.295 2.807 10 0 AFAERN CO[C@@H](C)CC(=O)CC1CCCCC1 127889728 573967225 /nfs/dbraw/zinc/96/72/25/573967225.db2.gz KGTPQUSRSIZHEZ-JTQLQIEISA-N 0 0 198.306 2.951 10 0 AFAERN CC1(C)C(=O)[C@@]23CCC[C@@H]2C[C@@H]1C3 238227790 573968861 /nfs/dbraw/zinc/96/88/61/573968861.db2.gz 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/nfs/dbraw/zinc/96/87/78/573968778.db2.gz QSSRWTIQTSMYMK-UHFFFAOYSA-N 0 0 199.253 2.612 10 0 AFAERN CC1(C)C=C(c2ccccc2N)OC1 238228493 573968926 /nfs/dbraw/zinc/96/89/26/573968926.db2.gz LNRZJVHETYIIDI-UHFFFAOYSA-N 0 0 189.258 2.666 10 0 AFAERN CC1=CCC(C)(C)C[C@H](O)C1 238228014 573968935 /nfs/dbraw/zinc/96/89/35/573968935.db2.gz VPWHYUDNLCSDAU-SECBINFHSA-N 0 0 154.253 2.504 10 0 AFAERN CCCc1nc(Cl)nc(C)c1C 238227527 573968967 /nfs/dbraw/zinc/96/89/67/573968967.db2.gz RUJRRLHKGYJEPE-UHFFFAOYSA-N 0 0 184.670 2.699 10 0 AFAERN CC(=O)c1[nH]c(C)cc1C(C)C 238228244 573969114 /nfs/dbraw/zinc/96/91/14/573969114.db2.gz BXRHESGRAMLPAP-UHFFFAOYSA-N 0 0 165.236 2.649 10 0 AFAERN CC1(C)CCc2c(C=O)cccc2O1 238228347 573970228 /nfs/dbraw/zinc/97/02/28/573970228.db2.gz GIISMLADUYNHQP-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN CC[C@H](C)[C@@H](C)n1cccc1C=O 42558289 573970403 /nfs/dbraw/zinc/97/04/03/573970403.db2.gz DLCCANZRDAEMTA-VHSXEESVSA-N 0 0 179.263 2.908 10 0 AFAERN CCCc1nc(Cl)nc2cc[nH]c12 238227612 573970431 /nfs/dbraw/zinc/97/04/31/573970431.db2.gz XOJJHGSNRNWYRJ-UHFFFAOYSA-N 0 0 195.653 2.564 10 0 AFAERN CC1(C)/C(=C/CCO)[C@@H]2CC[C@H]1C2 238227714 573970500 /nfs/dbraw/zinc/97/05/00/573970500.db2.gz NYKYUMQRYAHZQE-VFJLQSMZSA-N 0 0 180.291 2.751 10 0 AFAERN CC[C@@H](C)[C@@H](C)n1cccc1C=O 42558286 573970592 /nfs/dbraw/zinc/97/05/92/573970592.db2.gz DLCCANZRDAEMTA-NXEZZACHSA-N 0 0 179.263 2.908 10 0 AFAERN CC1=CCC(C)(C)CC[C@@H]1CO 238227922 573970643 /nfs/dbraw/zinc/97/06/43/573970643.db2.gz WISXFEZWIGQRGJ-SNVBAGLBSA-N 0 0 168.280 2.751 10 0 AFAERN COc1cc(Cl)c(C(C)=O)cc1C 104396592 573972051 /nfs/dbraw/zinc/97/20/51/573972051.db2.gz GXFZCQXDIPDQAC-UHFFFAOYSA-N 0 0 198.649 2.860 10 0 AFAERN CCC(=O)[C@@H]1[C@@H](C(C)C)C1(C)C 238227822 573970851 /nfs/dbraw/zinc/97/08/51/573970851.db2.gz JTQPSVGKAGWVLR-NXEZZACHSA-N 0 0 168.280 2.894 10 0 AFAERN CCN1CCc2cc3ccccc3nc21 259253225 573970879 /nfs/dbraw/zinc/97/08/79/573970879.db2.gz MOGRGJHRLAPMNF-UHFFFAOYSA-N 0 0 198.269 2.617 10 0 AFAERN CC1(C)C(=O)C(C)(C)[C@@H]2CC[C@@H]21 238228753 573970900 /nfs/dbraw/zinc/97/09/00/573970900.db2.gz RNXMREIWQLXNCE-OCAPTIKFSA-N 0 0 166.264 2.648 10 0 AFAERN CC[C@H](CO)c1ccc(SC)cc1 259253282 573971018 /nfs/dbraw/zinc/97/10/18/573971018.db2.gz NUUNTWDCNFOYQM-SECBINFHSA-N 0 0 196.315 2.894 10 0 AFAERN COC(=O)C[C@@H]1C=CCC(C)(C)C1 104391721 573971288 /nfs/dbraw/zinc/97/12/88/573971288.db2.gz KDJMJBJYORCCDA-VIFPVBQESA-N 0 0 182.263 2.542 10 0 AFAERN Cc1cc(O)c(C=O)c(C(C)C)c1 238228774 573971298 /nfs/dbraw/zinc/97/12/98/573971298.db2.gz BFBBNGSKRVKTBY-UHFFFAOYSA-N 0 0 178.231 2.637 10 0 AFAERN Cc1cc(C(C)C)c(N)c(N)c1Cl 238228530 573971317 /nfs/dbraw/zinc/97/13/17/573971317.db2.gz SNZUILRPARIKCN-UHFFFAOYSA-N 0 0 198.697 2.936 10 0 AFAERN CCO[C@@H](C)C(=O)CC(CC)CC 127901414 573971441 /nfs/dbraw/zinc/97/14/41/573971441.db2.gz RYQJENQMATWBHO-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN C[C@@H]1C(=O)CC(C)(C)C[C@H]1C 104396108 573971489 /nfs/dbraw/zinc/97/14/89/573971489.db2.gz SRAGAFKBFONZLM-SFYZADRCSA-N 0 0 154.253 2.648 10 0 AFAERN CCCCC(=O)[C@@]1(C)C[C@H]1C 238227847 573971507 /nfs/dbraw/zinc/97/15/07/573971507.db2.gz GIJBPVGEKQGDED-SCZZXKLOSA-N 0 0 154.253 2.792 10 0 AFAERN C[C@@H]1C[C@@H](O)c2ccccc2[C@@H]1C 104395446 573972091 /nfs/dbraw/zinc/97/20/91/573972091.db2.gz YJCVSMGHVYRUGR-KBVBSXBZSA-N 0 0 176.259 2.863 10 0 AFAERN CCc1ccc(-c2ncc[nH]2)s1 104398371 573971602 /nfs/dbraw/zinc/97/16/02/573971602.db2.gz RGQWFVDVKHCHAD-UHFFFAOYSA-N 0 0 178.260 2.701 10 0 AFAERN CC1(C)[C@H]2C(=O)c3ccccc3[C@H]21 238227730 573971617 /nfs/dbraw/zinc/97/16/17/573971617.db2.gz QIHGGGNQKICANI-NXEZZACHSA-N 0 0 172.227 2.623 10 0 AFAERN Cc1c[nH]c(-c2ccc(C)s2)n1 104398015 573971621 /nfs/dbraw/zinc/97/16/21/573971621.db2.gz RBJAJWAYOGFPJN-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN CC[C@@H](CO)c1ccc(SC)cc1 259253283 573971708 /nfs/dbraw/zinc/97/17/08/573971708.db2.gz NUUNTWDCNFOYQM-VIFPVBQESA-N 0 0 196.315 2.894 10 0 AFAERN C[C@H]1CC(C)(C)CC(=O)[C@H]1C 104396113 573971770 /nfs/dbraw/zinc/97/17/70/573971770.db2.gz SRAGAFKBFONZLM-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN CCCC(=O)CC1CC=CC1 238227392 573971798 /nfs/dbraw/zinc/97/17/98/573971798.db2.gz RIAOWBWYAYDYGU-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN CC1=CCC(=O)[C@@H]1c1ccccc1 238227654 573971820 /nfs/dbraw/zinc/97/18/20/573971820.db2.gz JGNXDXWSKASXFJ-LBPRGKRZSA-N 0 0 172.227 2.689 10 0 AFAERN CCC(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2C 238227401 573971862 /nfs/dbraw/zinc/97/18/62/573971862.db2.gz ZVVHOLBHWFLQLS-KXUCPTDWSA-N 0 0 164.248 2.568 10 0 AFAERN CCCc1nc(Cl)nc2c1CCC2 238227594 573971920 /nfs/dbraw/zinc/97/19/20/573971920.db2.gz CYRKLASERNNPDB-UHFFFAOYSA-N 0 0 196.681 2.571 10 0 AFAERN CC1=CC[C@H](C(C)C)[C@@H]2C(=O)C[C@@H]12 238227542 573971986 /nfs/dbraw/zinc/97/19/86/573971986.db2.gz OWLJLPZYXYNYAF-SCVCMEIPSA-N 0 0 178.275 2.814 10 0 AFAERN CC(C)=CC(C)(C)Cl 104393694 573971999 /nfs/dbraw/zinc/97/19/99/573971999.db2.gz CJSDXYTVXQNBBH-UHFFFAOYSA-N 0 0 132.634 2.970 10 0 AFAERN CC(C)[C@H]1CC=CCC(=O)C1 238227766 573972002 /nfs/dbraw/zinc/97/20/02/573972002.db2.gz ZOIRRWSYYJNJDM-VIFPVBQESA-N 0 0 152.237 2.568 10 0 AFAERN CCC[C@@H]1C[C@@H]1CC 104395811 573972006 /nfs/dbraw/zinc/97/20/06/573972006.db2.gz PJCQFBOQOMRARG-JGVFFNPUSA-N 0 0 112.216 2.833 10 0 AFAERN CCC1(CC)N=CC(Cl)=C(C)N1 238228096 573972017 /nfs/dbraw/zinc/97/20/17/573972017.db2.gz IEVJGJFTZWOPCV-UHFFFAOYSA-N 0 0 186.686 2.647 10 0 AFAERN CCC(=O)[C@@]1(C)C[C@H]2C=C[C@@H]1C2 238229076 573972957 /nfs/dbraw/zinc/97/29/57/573972957.db2.gz SSVNCQMQMXCFFR-NGZCFLSTSA-N 0 0 164.248 2.568 10 0 AFAERN CCCCC(=O)[C@]1(C)C[C@@H]1C 238229188 573972973 /nfs/dbraw/zinc/97/29/73/573972973.db2.gz GIJBPVGEKQGDED-WCBMZHEXSA-N 0 0 154.253 2.792 10 0 AFAERN C=Cc1ccc2c(c1)OCC2(C)C 238229934 573973080 /nfs/dbraw/zinc/97/30/80/573973080.db2.gz GHBGYPTUNWAONU-UHFFFAOYSA-N 0 0 174.243 3.000 10 0 AFAERN CCCCC(=S)NC(C)C 238230063 573973302 /nfs/dbraw/zinc/97/33/02/573973302.db2.gz SPEWPYFXQOUWRK-UHFFFAOYSA-N 0 0 159.298 2.502 10 0 AFAERN COC(=O)C[C@H]1C=CCC(C)(C)C1 104391718 573973330 /nfs/dbraw/zinc/97/33/30/573973330.db2.gz KDJMJBJYORCCDA-SECBINFHSA-N 0 0 182.263 2.542 10 0 AFAERN CCC1(CC)O[C@H](O)C[C@H]1C(C)C 238229725 573973397 /nfs/dbraw/zinc/97/33/97/573973397.db2.gz MPPABRJTKOADQV-UWVGGRQHSA-N 0 0 186.295 2.556 10 0 AFAERN C[C@H]1CCC[C@@H](C(F)(F)F)C1=O 104396548 573973455 /nfs/dbraw/zinc/97/34/55/573973455.db2.gz FXWOJJUXDKHUMK-NTSWFWBYSA-N 0 0 180.169 2.554 10 0 AFAERN C[C@H]1CCC[C@H](C(F)(F)F)C1=O 104396541 573973467 /nfs/dbraw/zinc/97/34/67/573973467.db2.gz FXWOJJUXDKHUMK-WDSKDSINSA-N 0 0 180.169 2.554 10 0 AFAERN Cc1c[nH]c(-c2sccc2C)n1 104398359 573973534 /nfs/dbraw/zinc/97/35/34/573973534.db2.gz UXMYGLQMEMNZSM-UHFFFAOYSA-N 0 0 178.260 2.755 10 0 AFAERN CCC[C@@H](C=C=C(C)C)CO 238229777 573974673 /nfs/dbraw/zinc/97/46/73/573974673.db2.gz QGWKTTKDJSHRQL-JTQLQIEISA-N 0 0 154.253 2.516 10 0 AFAERN C[C@@H]1CCC[C@@H](C(F)(F)F)C1=O 104396545 573973632 /nfs/dbraw/zinc/97/36/32/573973632.db2.gz FXWOJJUXDKHUMK-PHDIDXHHSA-N 0 0 180.169 2.554 10 0 AFAERN CCc1ccc(-c2nc(C)c[nH]2)o1 104398668 573973750 /nfs/dbraw/zinc/97/37/50/573973750.db2.gz LKORUXIYKICJLK-UHFFFAOYSA-N 0 0 176.219 2.541 10 0 AFAERN COSc1ccc(OC)cc1C 259253491 573973792 /nfs/dbraw/zinc/97/37/92/573973792.db2.gz PDBWSFYJRXQSCD-UHFFFAOYSA-N 0 0 184.260 2.657 10 0 AFAERN CC1=C[C@@H](C)[C@H](C)CC1 104395460 573973938 /nfs/dbraw/zinc/97/39/38/573973938.db2.gz WPWQRKXPPCURBJ-RKDXNWHRSA-N 0 0 124.227 2.999 10 0 AFAERN Cc1ccc2c(Cl)nccc2n1 104398062 573973983 /nfs/dbraw/zinc/97/39/83/573973983.db2.gz QMCJTGPHAVSUPH-UHFFFAOYSA-N 0 0 178.622 2.592 10 0 AFAERN CNc1cn2c3c(cccc13)CCC2 259588542 573974006 /nfs/dbraw/zinc/97/40/06/573974006.db2.gz WFRIWKIOUYVAHI-UHFFFAOYSA-N 0 0 186.258 2.629 10 0 AFAERN C=C/C=C(\C)CC 104392153 573974096 /nfs/dbraw/zinc/97/40/96/573974096.db2.gz AGDLFOKHPDHOPH-VOTSOKGWSA-N 0 0 96.173 2.529 10 0 AFAERN CC1=C[C@@H](C)[C@@H](C)CC1 104395462 573974122 /nfs/dbraw/zinc/97/41/22/573974122.db2.gz WPWQRKXPPCURBJ-DTWKUNHWSA-N 0 0 124.227 2.999 10 0 AFAERN CCC=C1CCC1 104394296 573974133 /nfs/dbraw/zinc/97/41/33/573974133.db2.gz JKGVBZNGGHCONX-UHFFFAOYSA-N 0 0 96.173 2.507 10 0 AFAERN CCC1(CC)O[C@H](O)C[C@@H]1C(C)C 238229707 573974202 /nfs/dbraw/zinc/97/42/02/573974202.db2.gz MPPABRJTKOADQV-ZJUUUORDSA-N 0 0 186.295 2.556 10 0 AFAERN CCOCc1cc2ccc(F)cc2[nH]1 258193411 573974222 /nfs/dbraw/zinc/97/42/22/573974222.db2.gz ZSAVKQCKQQHHFF-UHFFFAOYSA-N 0 0 193.221 2.844 10 0 AFAERN CCC1(CC)O[C@@H](O)C[C@H]1C(C)C 238229409 573974355 /nfs/dbraw/zinc/97/43/55/573974355.db2.gz MPPABRJTKOADQV-VHSXEESVSA-N 0 0 186.295 2.556 10 0 AFAERN CC1=C[C@H](C)[C@H](C)CC1 104395453 573974384 /nfs/dbraw/zinc/97/43/84/573974384.db2.gz WPWQRKXPPCURBJ-BDAKNGLRSA-N 0 0 124.227 2.999 10 0 AFAERN CC1=CCCC(C)(C)[C@]1(C)CO 238229495 573974458 /nfs/dbraw/zinc/97/44/58/573974458.db2.gz UYWMGWYDQRCLKY-LLVKDONJSA-N 0 0 168.280 2.751 10 0 AFAERN CCC(=O)[C@@]12CCCC[C@@H]1CC2 238229546 573974581 /nfs/dbraw/zinc/97/45/81/573974581.db2.gz FWSDNYOTXJFONW-MWLCHTKSSA-N 0 0 166.264 2.936 10 0 AFAERN ClC(Cl)=CC1CC1 81914625 573975530 /nfs/dbraw/zinc/97/55/30/573975530.db2.gz KHBCHWFRVFRJED-UHFFFAOYSA-N 0 0 137.009 2.715 10 0 AFAERN CCC(=O)O[C@@H]1CC[C@H]2CCC[C@H]21 256081181 573977416 /nfs/dbraw/zinc/97/74/16/573977416.db2.gz BTWFKGTZSZVEEX-OPRDCNLKSA-N 0 0 182.263 2.518 10 0 AFAERN CCc1cc([C@@H](C)CO)c(C)cc1F 258194482 573977473 /nfs/dbraw/zinc/97/74/73/573977473.db2.gz XUVSPLQLCYVWPL-VIFPVBQESA-N 0 0 196.265 2.792 10 0 AFAERN Cc1nccc2ccc([C@H](C)O)cc12 258194193 573977236 /nfs/dbraw/zinc/97/72/36/573977236.db2.gz XPSDODPKTXDRIU-VIFPVBQESA-N 0 0 187.242 2.597 10 0 AFAERN CCc1nc([C@@H](C)CC)cnc1C 104401603 573977556 /nfs/dbraw/zinc/97/75/56/573977556.db2.gz UEGAGBLRFJLIDC-QMMMGPOBSA-N 0 0 178.279 2.861 10 0 AFAERN CC[C@@H](C)c1ccc(NC=O)cc1 81951529 573977581 /nfs/dbraw/zinc/97/75/81/573977581.db2.gz ZHXIZBXCNMJTMJ-SECBINFHSA-N 0 0 177.247 2.768 10 0 AFAERN FC(F)(F)c1ccc2oncc2c1 104402768 573977666 /nfs/dbraw/zinc/97/76/66/573977666.db2.gz NHKDSTIQHVCHQG-UHFFFAOYSA-N 0 0 187.120 2.847 10 0 AFAERN CO[C@@H](C)c1c[nH]c2ccccc12 81947403 573977680 /nfs/dbraw/zinc/97/76/80/573977680.db2.gz WTYNPGSVXZFQNJ-QMMMGPOBSA-N 0 0 175.231 2.875 10 0 AFAERN Cc1nccc2ccc([C@@H](C)O)cc12 258194189 573977749 /nfs/dbraw/zinc/97/77/49/573977749.db2.gz XPSDODPKTXDRIU-SECBINFHSA-N 0 0 187.242 2.597 10 0 AFAERN CC1=CC(C)(C)C(=O)CCC1 238223388 573979485 /nfs/dbraw/zinc/97/94/85/573979485.db2.gz JQZCUGFGKDYZGT-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN Cc1cccc(-c2cc(N)n(C)c2)c1 258193979 573979380 /nfs/dbraw/zinc/97/93/80/573979380.db2.gz UPGVZMAHISSQCH-UHFFFAOYSA-N 0 0 186.258 2.583 10 0 AFAERN Fc1cc(-c2ncc[nH]2)ccc1Cl 104399225 573978820 /nfs/dbraw/zinc/97/88/20/573978820.db2.gz RZRWKFOHPBXCAJ-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN CC1(C)C=C[C@@H]2[C@H]3C(=O)CC[C@@]23C1 238220438 573978823 /nfs/dbraw/zinc/97/88/23/573978823.db2.gz WWMOLIOARWFCLB-UBHAPETDSA-N 0 0 176.259 2.568 10 0 AFAERN C[C@H](CO)c1cc(F)cc(Cl)c1 258194400 573979037 /nfs/dbraw/zinc/97/90/37/573979037.db2.gz XSVSIWWUZUNPMG-ZCFIWIBFSA-N 0 0 188.629 2.575 10 0 AFAERN C[C@H](CO)c1cc(F)cc2ccoc12 258194359 573979135 /nfs/dbraw/zinc/97/91/35/573979135.db2.gz XSOPSZMXNNGSRF-SSDOTTSWSA-N 0 0 194.205 2.668 10 0 AFAERN C[C@H]([NH3+])Sc1ccc(Cl)s1 259256115 573979144 /nfs/dbraw/zinc/97/91/44/573979144.db2.gz PIBFNCXVIJFQDD-SCSAIBSYSA-N 0 0 193.724 2.798 10 0 AFAERN CCC[C@@](C)(CO)CCSC 131798614 573987796 /nfs/dbraw/zinc/98/77/96/573987796.db2.gz OIUFUXWGJQFHCK-SECBINFHSA-N 0 0 176.325 2.538 10 0 AFAERN CCOC(=O)SC1CCCC1 259255938 573979218 /nfs/dbraw/zinc/97/92/18/573979218.db2.gz PGQDWDTVELONQJ-UHFFFAOYSA-N 0 0 174.265 2.819 10 0 AFAERN C[C@@H](CO)c1cc(F)cc(Cl)c1 258194397 573979301 /nfs/dbraw/zinc/97/93/01/573979301.db2.gz XSVSIWWUZUNPMG-LURJTMIESA-N 0 0 188.629 2.575 10 0 AFAERN CO[C@H](C)CC(=O)[C@H]1CCC[C@H](C)C1 127954686 573979352 /nfs/dbraw/zinc/97/93/52/573979352.db2.gz VULSAMCDOXXAHV-AXFHLTTASA-N 0 0 198.306 2.807 10 0 AFAERN CC1=CCCC[C@@H]1C(=O)C1CC1 238230133 573979455 /nfs/dbraw/zinc/97/94/55/573979455.db2.gz ICPJAABHAVZGLR-JTQLQIEISA-N 0 0 164.248 2.712 10 0 AFAERN CCC1(CC)[C@H](C)C(=O)[C@@H]1C 238230522 573988427 /nfs/dbraw/zinc/98/84/27/573988427.db2.gz PQTNCABGWBQQDD-OCAPTIKFSA-N 0 0 154.253 2.648 10 0 AFAERN CC1=CC(C)(C)CC(C)(C)[C@H]1CO 238223697 573981030 /nfs/dbraw/zinc/98/10/30/573981030.db2.gz ABFTXSRYAPZBTH-JTQLQIEISA-N 0 0 182.307 2.997 10 0 AFAERN CCCc1cn(CO)c2ccccc12 238223190 573981067 /nfs/dbraw/zinc/98/10/67/573981067.db2.gz ZMKZYWRMDMNRIS-UHFFFAOYSA-N 0 0 189.258 2.544 10 0 AFAERN CC1=CC(C)(C)CC(C)(C)[C@@H]1CO 238223664 573981078 /nfs/dbraw/zinc/98/10/78/573981078.db2.gz ABFTXSRYAPZBTH-SNVBAGLBSA-N 0 0 182.307 2.997 10 0 AFAERN CCCc1csc(C(C)=O)c1 238224013 573980412 /nfs/dbraw/zinc/98/04/12/573980412.db2.gz QIHHZSIXWCOXKK-UHFFFAOYSA-N 0 0 168.261 2.903 10 0 AFAERN CCC(CC)C1=CC[C@H](O)C1 238223804 573980432 /nfs/dbraw/zinc/98/04/32/573980432.db2.gz UUVJRPKYROPRDZ-JTQLQIEISA-N 0 0 154.253 2.504 10 0 AFAERN Clc1ccc(-c2ncc[nH]2)s1 104400675 573980610 /nfs/dbraw/zinc/98/06/10/573980610.db2.gz XMIMMRIXENSNJP-UHFFFAOYSA-N 0 0 184.651 2.792 10 0 AFAERN CC1(C)CC[C@@H](CO)C(C)(C)C1 238223541 573980662 /nfs/dbraw/zinc/98/06/62/573980662.db2.gz IQIUZFBWJQTLRB-VIFPVBQESA-N 0 0 170.296 2.831 10 0 AFAERN CC[C@H]1c2ccc(O)cc2N[C@@H]1C 107458990 573980986 /nfs/dbraw/zinc/98/09/86/573980986.db2.gz UYPILOKVLKDGKF-VXNVDRBHSA-N 0 0 177.247 2.700 10 0 AFAERN CC[C@@H](C)c1nc(C)c(C)nc1C 104400922 573980719 /nfs/dbraw/zinc/98/07/19/573980719.db2.gz HSWMEKNTOFMUHQ-SSDOTTSWSA-N 0 0 178.279 2.915 10 0 AFAERN CCO[C@@H](C)[C@H](O)CC(CC)CC 127972029 573980725 /nfs/dbraw/zinc/98/07/25/573980725.db2.gz IMGORRCBMYLHFM-GXSJLCMTSA-N 0 0 188.311 2.599 10 0 AFAERN Fc1ccc(-c2c[nH]cn2)cc1Cl 104399253 573980787 /nfs/dbraw/zinc/98/07/87/573980787.db2.gz WFQWTIDVAQNHGR-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN CC1(C)C(=O)CC[C@@H]2CCC=C[C@@H]21 238224274 573980805 /nfs/dbraw/zinc/98/08/05/573980805.db2.gz QYOLQZGCNGHFCD-UWVGGRQHSA-N 0 0 178.275 2.958 10 0 AFAERN CCC(=O)[C@@H](C)[C@@H](C)C(C)C 238223856 573980821 /nfs/dbraw/zinc/98/08/21/573980821.db2.gz MOLHPXIPYJJBFV-IUCAKERBSA-N 0 0 156.269 2.894 10 0 AFAERN CO[C@H](C)CC(=O)c1ccccc1C 127948706 573980888 /nfs/dbraw/zinc/98/08/88/573980888.db2.gz NYHSJVHFDRHGQD-SNVBAGLBSA-N 0 0 192.258 2.603 10 0 AFAERN CC1(C)C(=O)C[C@H]2CCC=C[C@@H]21 238224223 573980941 /nfs/dbraw/zinc/98/09/41/573980941.db2.gz FZIVJQTWNYOUMJ-BDAKNGLRSA-N 0 0 164.248 2.568 10 0 AFAERN CC1(C)C(=O)C[C@@H]2CCC=C[C@@H]21 238224263 573980974 /nfs/dbraw/zinc/98/09/74/573980974.db2.gz FZIVJQTWNYOUMJ-IUCAKERBSA-N 0 0 164.248 2.568 10 0 AFAERN CCC(CC)C1=CC[C@@H](O)C1 238223789 573981109 /nfs/dbraw/zinc/98/11/09/573981109.db2.gz UUVJRPKYROPRDZ-SNVBAGLBSA-N 0 0 154.253 2.504 10 0 AFAERN CCC(CC)C[C@H](O)CSC 127961038 573981111 /nfs/dbraw/zinc/98/11/11/573981111.db2.gz JHPJIEZOGTVCMQ-VIFPVBQESA-N 0 0 176.325 2.537 10 0 AFAERN CCC1(CC)CC(=O)C1(C)C 238224033 573981166 /nfs/dbraw/zinc/98/11/66/573981166.db2.gz WWJWVMFLWLUXPP-UHFFFAOYSA-N 0 0 154.253 2.792 10 0 AFAERN CCCOC[C@@H](O)CC(CC)CC 127955261 573981176 /nfs/dbraw/zinc/98/11/76/573981176.db2.gz FKUPGKMUTGXUSL-NSHDSACASA-N 0 0 188.311 2.600 10 0 AFAERN CC/C=C/[C@@H]1C=CC[C@@H]1C(C)=O 238223883 573981278 /nfs/dbraw/zinc/98/12/78/573981278.db2.gz ZTUDHUAWGRXKNE-JYBZGJHDSA-N 0 0 164.248 2.734 10 0 AFAERN CCO[C@H](C)[C@H](O)CC(CC)CC 127971596 573981297 /nfs/dbraw/zinc/98/12/97/573981297.db2.gz IMGORRCBMYLHFM-MWLCHTKSSA-N 0 0 188.311 2.599 10 0 AFAERN CC1(C)C(=O)CC[C@H]2CCC=C[C@@H]21 238224234 573981466 /nfs/dbraw/zinc/98/14/66/573981466.db2.gz QYOLQZGCNGHFCD-ZJUUUORDSA-N 0 0 178.275 2.958 10 0 AFAERN CO[C@@H](C)CC(=O)c1ccc(C)cc1 127948433 573981475 /nfs/dbraw/zinc/98/14/75/573981475.db2.gz USAPNBAFVMJCKL-JTQLQIEISA-N 0 0 192.258 2.603 10 0 AFAERN CC1(C)C2=CCCC[C@H]2CC[C@H]1O 238223486 573981520 /nfs/dbraw/zinc/98/15/20/573981520.db2.gz BTRGLFRTRSLJMP-GXSJLCMTSA-N 0 0 180.291 2.894 10 0 AFAERN Cc1c(N)cccc1NC1CC(C)C1 123291287 573981570 /nfs/dbraw/zinc/98/15/70/573981570.db2.gz DFBVIJOWZCXFMG-UHFFFAOYSA-N 0 0 190.290 2.788 10 0 AFAERN CO[C@@H](C)CC(=O)c1ccccc1C 127948940 573981586 /nfs/dbraw/zinc/98/15/86/573981586.db2.gz NYHSJVHFDRHGQD-JTQLQIEISA-N 0 0 192.258 2.603 10 0 AFAERN CCC(=O)[C@@H](C)[C@H](C)C(C)C 238224232 573981797 /nfs/dbraw/zinc/98/17/97/573981797.db2.gz MOLHPXIPYJJBFV-BDAKNGLRSA-N 0 0 156.269 2.894 10 0 AFAERN CC1(C)C2=CCCC[C@@H]2CC[C@H]1O 238223511 573981822 /nfs/dbraw/zinc/98/18/22/573981822.db2.gz BTRGLFRTRSLJMP-MWLCHTKSSA-N 0 0 180.291 2.894 10 0 AFAERN CC1(c2coc3ccccc23)COC1 259031910 573981852 /nfs/dbraw/zinc/98/18/52/573981852.db2.gz GLSXHMLCLBRYBU-UHFFFAOYSA-N 0 0 188.226 2.721 10 0 AFAERN NN1CCCCC[C@H]1c1ccsc1 74241007 573981904 /nfs/dbraw/zinc/98/19/04/573981904.db2.gz PHNVTWRDGBJLLS-JTQLQIEISA-N 0 0 196.319 2.539 10 0 AFAERN CCC1(CC)CCCC[C@H]1O 238224623 573983220 /nfs/dbraw/zinc/98/32/20/573983220.db2.gz ASRBXINGVCYXTM-SECBINFHSA-N 0 0 156.269 2.728 10 0 AFAERN CCCNc1ccc2cc[nH]c2c1 238222736 573982006 /nfs/dbraw/zinc/98/20/06/573982006.db2.gz IFJFDIZJUNEVSA-UHFFFAOYSA-N 0 0 174.247 2.990 10 0 AFAERN CO[C@H](C)CC(=O)[C@H]1CCC[C@@H](C)C1 127954477 573982051 /nfs/dbraw/zinc/98/20/51/573982051.db2.gz VULSAMCDOXXAHV-MXWKQRLJSA-N 0 0 198.306 2.807 10 0 AFAERN CC/C=C/[C@@H]1C=CC[C@H]1C(C)=O 238223911 573982064 /nfs/dbraw/zinc/98/20/64/573982064.db2.gz ZTUDHUAWGRXKNE-MRUFAENASA-N 0 0 164.248 2.734 10 0 AFAERN CCCc1ccn2c1CC(=O)C[C@@H]2C 238222746 573982117 /nfs/dbraw/zinc/98/21/17/573982117.db2.gz IPJOEPIZNIANDK-VIFPVBQESA-N 0 0 191.274 2.517 10 0 AFAERN CC[C@H](C)c1ccc(NC(N)=O)cc1 82049462 573983233 /nfs/dbraw/zinc/98/32/33/573983233.db2.gz HQJMTIFKRFSCFP-QMMMGPOBSA-N 0 0 192.262 2.691 10 0 AFAERN CCC(CC)C1=CCC(=O)C1 238223768 573982289 /nfs/dbraw/zinc/98/22/89/573982289.db2.gz YOHFMBLDVIZFRC-UHFFFAOYSA-N 0 0 152.237 2.712 10 0 AFAERN C[C@H](O)/C=C/C=C/C(C)(C)C 82100540 573982322 /nfs/dbraw/zinc/98/23/22/573982322.db2.gz XXMGWFJXZGIYDK-HMNNVMPBSA-N 0 0 154.253 2.526 10 0 AFAERN CO[C@H](C)CC(=O)[C@@H]1CCC[C@@H](C)C1 127954955 573982326 /nfs/dbraw/zinc/98/23/26/573982326.db2.gz VULSAMCDOXXAHV-GMTAPVOTSA-N 0 0 198.306 2.807 10 0 AFAERN C=Cc1ccc(-c2ncccn2)cc1 104453759 573982375 /nfs/dbraw/zinc/98/23/75/573982375.db2.gz GFRUMYGTJKSZCH-UHFFFAOYSA-N 0 0 182.226 2.787 10 0 AFAERN CSc1cc(F)c(Cl)cc1N 85105121 573982396 /nfs/dbraw/zinc/98/23/96/573982396.db2.gz ZBASFERXCOZBJR-UHFFFAOYSA-N 0 0 191.658 2.783 10 0 AFAERN CCc1n[nH]c2cc(SC)ccc12 82105502 573982544 /nfs/dbraw/zinc/98/25/44/573982544.db2.gz AYKFFGFHDFHWJV-UHFFFAOYSA-N 0 0 192.287 2.847 10 0 AFAERN CCCOC[C@H](O)CC(CC)CC 127955043 573982573 /nfs/dbraw/zinc/98/25/73/573982573.db2.gz FKUPGKMUTGXUSL-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CC(=O)CC[C@H](C)C=C(C)C 82052203 573982648 /nfs/dbraw/zinc/98/26/48/573982648.db2.gz BICOHUOPNBAULA-VIFPVBQESA-N 0 0 154.253 2.958 10 0 AFAERN Cc1cc(NCC2CC2)c(C)cc1O 235869482 573982749 /nfs/dbraw/zinc/98/27/49/573982749.db2.gz LHTIHMQIRKRHQX-UHFFFAOYSA-N 0 0 191.274 2.831 10 0 AFAERN CO[C@H](C)CC(=O)[C@@H]1CCC[C@H](C)C1 127955193 573982778 /nfs/dbraw/zinc/98/27/78/573982778.db2.gz VULSAMCDOXXAHV-HBNTYKKESA-N 0 0 198.306 2.807 10 0 AFAERN CC(C)[C@@H]1C=CC(C)(C)C(=O)C1 238225806 573982781 /nfs/dbraw/zinc/98/27/81/573982781.db2.gz WQDLUOSUHDRMKT-SECBINFHSA-N 0 0 166.264 2.814 10 0 AFAERN CCO[C@@H](C)[C@@H](O)CC(CC)CC 127971793 573982852 /nfs/dbraw/zinc/98/28/52/573982852.db2.gz IMGORRCBMYLHFM-ONGXEEELSA-N 0 0 188.311 2.599 10 0 AFAERN CC/C=C/[C@H]1C=CC[C@H]1C(C)=O 238224824 573982861 /nfs/dbraw/zinc/98/28/61/573982861.db2.gz ZTUDHUAWGRXKNE-LJRGRFNSSA-N 0 0 164.248 2.734 10 0 AFAERN CCCCC[C@H](C)Nc1ccncn1 42571760 573982981 /nfs/dbraw/zinc/98/29/81/573982981.db2.gz NAHKOUCBCJTXTI-JTQLQIEISA-N 0 0 193.294 2.857 10 0 AFAERN CCc1ccccc1OCCCF 82057403 573982985 /nfs/dbraw/zinc/98/29/85/573982985.db2.gz YFUVKLKYVMAWPW-UHFFFAOYSA-N 0 0 182.238 2.987 10 0 AFAERN CC1(C)[C@@H]2CC[C@@]1(C)C1(CC1)C2=O 238225304 573983245 /nfs/dbraw/zinc/98/32/45/573983245.db2.gz RIXLUUDDIPAOFM-LDYMZIIASA-N 0 0 178.275 2.792 10 0 AFAERN CC/C=C/[C@H]1C=CC[C@@H]1C(C)=O 238224802 573985769 /nfs/dbraw/zinc/98/57/69/573985769.db2.gz ZTUDHUAWGRXKNE-XDFYEUQUSA-N 0 0 164.248 2.734 10 0 AFAERN CC(=O)CC[C@@H](C)C=C(C)C 82052204 573985772 /nfs/dbraw/zinc/98/57/72/573985772.db2.gz BICOHUOPNBAULA-SECBINFHSA-N 0 0 154.253 2.958 10 0 AFAERN CCC[C@](C)(CO)CCSCC 131799605 573985830 /nfs/dbraw/zinc/98/58/30/573985830.db2.gz OFEKQCNYGJDLQK-JTQLQIEISA-N 0 0 190.352 2.928 10 0 AFAERN CCC(CC)CC(=O)C[C@H](C)OC 127982156 573985851 /nfs/dbraw/zinc/98/58/51/573985851.db2.gz QADJMSWHJZERBS-VIFPVBQESA-N 0 0 186.295 2.807 10 0 AFAERN Cc1cnc(-c2ccco2)s1 82095295 573985852 /nfs/dbraw/zinc/98/58/52/573985852.db2.gz UALXKVCXTFEHRO-UHFFFAOYSA-N 0 0 165.217 2.712 10 0 AFAERN CC(C)c1ccc(SC(N)=O)cc1 259258369 573985853 /nfs/dbraw/zinc/98/58/53/573985853.db2.gz PPZIEFSZJDKSMO-UHFFFAOYSA-N 0 0 195.287 2.981 10 0 AFAERN CC(C)c1c[nH]c2ncc(F)cc12 238225593 573985726 /nfs/dbraw/zinc/98/57/26/573985726.db2.gz MRGXBZZCXPBBII-UHFFFAOYSA-N 0 0 178.210 2.825 10 0 AFAERN CCC(CC)C[C@H](O)CCCOC 127974611 573985735 /nfs/dbraw/zinc/98/57/35/573985735.db2.gz MBQRQBLZZFKNMS-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CO[C@@H](C)CC(=O)C1CCCCC1 127982362 573985742 /nfs/dbraw/zinc/98/57/42/573985742.db2.gz OCCPEFQPYUXLHG-VIFPVBQESA-N 0 0 184.279 2.561 10 0 AFAERN CCC[C@](C)(CO)CCSC 131798408 573986924 /nfs/dbraw/zinc/98/69/24/573986924.db2.gz OIUFUXWGJQFHCK-VIFPVBQESA-N 0 0 176.325 2.538 10 0 AFAERN Cc1nc2cc(F)cc(F)c2s1 104460905 573986929 /nfs/dbraw/zinc/98/69/29/573986929.db2.gz NAWZXRPWTIBSBP-UHFFFAOYSA-N 0 0 185.198 2.883 10 0 AFAERN CC1(C)CC[C@H](O)C2=C1CCC2 238226687 573986969 /nfs/dbraw/zinc/98/69/69/573986969.db2.gz MTIWXUSJZOAXPT-JTQLQIEISA-N 0 0 166.264 2.648 10 0 AFAERN Cc1nc2c(F)ccc(F)c2s1 104460914 573986716 /nfs/dbraw/zinc/98/67/16/573986716.db2.gz DAKLKWGLNHKXDJ-UHFFFAOYSA-N 0 0 185.198 2.883 10 0 AFAERN CC1(C)Cc2cc(F)cc(F)c2[C@H]1O 104457611 573986722 /nfs/dbraw/zinc/98/67/22/573986722.db2.gz DESMQLZBWWEERR-SNVBAGLBSA-N 0 0 198.212 2.581 10 0 AFAERN CC(C)c1ccc([C@@H](C)CO)c(O)c1 258196499 573986731 /nfs/dbraw/zinc/98/67/31/573986731.db2.gz XXYSUAHMPAOEKB-VIFPVBQESA-N 0 0 194.274 2.611 10 0 AFAERN CC[C@H]([NH3+])c1nccc2ccccc12 82193265 573986745 /nfs/dbraw/zinc/98/67/45/573986745.db2.gz GAOIFWVGMVMORT-NSHDSACASA-N 0 0 186.258 2.645 10 0 AFAERN CC1(C)Cc2cc(F)cc(F)c2[C@@H]1O 104457609 573986867 /nfs/dbraw/zinc/98/68/67/573986867.db2.gz DESMQLZBWWEERR-JTQLQIEISA-N 0 0 198.212 2.581 10 0 AFAERN C=C/C=C\CCC 82133041 573986870 /nfs/dbraw/zinc/98/68/70/573986870.db2.gz OGQVROWWFUXRST-ALCCZGGFSA-N 0 0 96.173 2.529 10 0 AFAERN CC1(C)Cc2cc(F)c(F)cc2[C@H]1O 104457605 573988072 /nfs/dbraw/zinc/98/80/72/573988072.db2.gz QDRLBICVYXLQEP-SNVBAGLBSA-N 0 0 198.212 2.581 10 0 AFAERN CC1(C)Cc2c(F)ccc(F)c2[C@@H]1O 104457598 573988175 /nfs/dbraw/zinc/98/81/75/573988175.db2.gz MNEBJNDCDOFEOC-JTQLQIEISA-N 0 0 198.212 2.581 10 0 AFAERN O[C@@H](CF)c1cccc2ccccc12 82127508 573987756 /nfs/dbraw/zinc/98/77/56/573987756.db2.gz SWDXEHMSTNIZJR-LBPRGKRZSA-N 0 0 190.217 2.843 10 0 AFAERN CCC(=O)[C@@H]1CCC=C1CC 238226238 573987758 /nfs/dbraw/zinc/98/77/58/573987758.db2.gz OGIHMQRGCLICIR-SECBINFHSA-N 0 0 152.237 2.712 10 0 AFAERN Cc1ccc(C2(O)CC2)cc1C(F)F 258196392 573987779 /nfs/dbraw/zinc/98/77/79/573987779.db2.gz XVHBUWFKSIGYHR-UHFFFAOYSA-N 0 0 198.212 2.914 10 0 AFAERN CCC(=O)[C@@H]1CCC=C[C@H]1C 238226268 573987865 /nfs/dbraw/zinc/98/78/65/573987865.db2.gz DCCLWXBHVLWBOV-RKDXNWHRSA-N 0 0 152.237 2.568 10 0 AFAERN Cc1cc(C)n(C[C@@H]2CC=CCC2)n1 402402398 573987939 /nfs/dbraw/zinc/98/79/39/573987939.db2.gz QJLWXXWNDGXDSG-GFCCVEGCSA-N 0 0 190.290 2.856 10 0 AFAERN CC1=CC2=CC=C3OC[C@@H](CC1)[C@H]23 238226004 573988095 /nfs/dbraw/zinc/98/80/95/573988095.db2.gz RSIGKOCSOQSEMG-PWSUYJOCSA-N 0 0 174.243 2.813 10 0 AFAERN CO[C@@H]1Cc2cccc(Cl)c21 258465266 573988716 /nfs/dbraw/zinc/98/87/16/573988716.db2.gz HPLJDVUPNFZZIX-MRVPVSSYSA-N 0 0 168.623 2.584 10 0 AFAERN O=C1Cc2sccc2S1 104459799 573988164 /nfs/dbraw/zinc/98/81/64/573988164.db2.gz YYTPAHCJGYVEDE-UHFFFAOYSA-N 0 0 156.231 2.668 10 0 AFAERN CC(=O)c1cnc(-c2cccs2)o1 258195859 573988183 /nfs/dbraw/zinc/98/81/83/573988183.db2.gz SVGNERIDBVGKPD-UHFFFAOYSA-N 0 0 193.227 2.606 10 0 AFAERN CO[C@H]1Cc2cccc(Cl)c21 258465268 573988211 /nfs/dbraw/zinc/98/82/11/573988211.db2.gz HPLJDVUPNFZZIX-QMMMGPOBSA-N 0 0 168.623 2.584 10 0 AFAERN CC/C=C(/C)C(=O)O[C@@H](C)C(C)C 216731104 573988213 /nfs/dbraw/zinc/98/82/13/573988213.db2.gz PISHAXYGMUZIKN-RNKPRXRFSA-N 0 0 184.279 2.930 10 0 AFAERN CC1=CCCC[C@@]12CCC(=O)C2 238230645 573988218 /nfs/dbraw/zinc/98/82/18/573988218.db2.gz YYPRSOHLWUJCCW-NSHDSACASA-N 0 0 164.248 2.856 10 0 AFAERN CCC(=O)[C@H](C)C(C)(C)Cl 238230218 573988243 /nfs/dbraw/zinc/98/82/43/573988243.db2.gz SLAGKGHLISJEMI-LURJTMIESA-N 0 0 162.660 2.619 10 0 AFAERN CC1=CCCC[C@@]12CCCC2=O 238230685 573988282 /nfs/dbraw/zinc/98/82/82/573988282.db2.gz HWRQVRXPFMOFBQ-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN Cc1cccc2c1CC(C)(C)C2=O 104461336 573988291 /nfs/dbraw/zinc/98/82/91/573988291.db2.gz YGSTWRGLPNUGRG-UHFFFAOYSA-N 0 0 174.243 2.760 10 0 AFAERN CCC[C@@](C)(CO)CCSCC 131799803 573988312 /nfs/dbraw/zinc/98/83/12/573988312.db2.gz OFEKQCNYGJDLQK-SNVBAGLBSA-N 0 0 190.352 2.928 10 0 AFAERN CCC(=O)[C@@H]1CCCC=C1C 238226295 573988369 /nfs/dbraw/zinc/98/83/69/573988369.db2.gz GYLREZVKMNZYFE-SECBINFHSA-N 0 0 152.237 2.712 10 0 AFAERN CCc1cc(CC2(O)CC2)ccc1C 258196509 573988399 /nfs/dbraw/zinc/98/83/99/573988399.db2.gz XYDJTOAOWYTGOT-UHFFFAOYSA-N 0 0 190.286 2.625 10 0 AFAERN CC1=CC2=CC=C3OC[C@H](CC1)[C@H]23 238226027 573988734 /nfs/dbraw/zinc/98/87/34/573988734.db2.gz RSIGKOCSOQSEMG-JQWIXIFHSA-N 0 0 174.243 2.813 10 0 AFAERN Cc1cccc2[nH]c(CO)c(Cl)c12 258196642 573988447 /nfs/dbraw/zinc/98/84/47/573988447.db2.gz WMYBEHSFWWBSLQ-UHFFFAOYSA-N 0 0 195.649 2.622 10 0 AFAERN CSCCCC1(CO)CCCC1 131797951 573988452 /nfs/dbraw/zinc/98/84/52/573988452.db2.gz GMEFEIMTNZIHOV-UHFFFAOYSA-N 0 0 188.336 2.682 10 0 AFAERN CCC[C@](C)(CO)CCCSC 131799227 573988504 /nfs/dbraw/zinc/98/85/04/573988504.db2.gz CJKOFWVOWKGYEM-JTQLQIEISA-N 0 0 190.352 2.928 10 0 AFAERN CCc1nc2c(F)cccc2s1 104461623 573988535 /nfs/dbraw/zinc/98/85/35/573988535.db2.gz AZKWSQZETXBQPH-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CC1(C)Cc2cc(F)c(F)cc2[C@@H]1O 104457603 573988540 /nfs/dbraw/zinc/98/85/40/573988540.db2.gz QDRLBICVYXLQEP-JTQLQIEISA-N 0 0 198.212 2.581 10 0 AFAERN CC(C)c1cc(=S)sc(N)n1 238226209 573988740 /nfs/dbraw/zinc/98/87/40/573988740.db2.gz MOSGZJYCSJLABX-UHFFFAOYSA-N 0 0 186.305 2.578 10 0 AFAERN CCC[C@@H]1CC(=C(C)C)[C@@H](O)C1 238230243 573988597 /nfs/dbraw/zinc/98/85/97/573988597.db2.gz LTXGXFBIVNNLNT-KOLCDFICSA-N 0 0 168.280 2.894 10 0 AFAERN CC1(C)Cc2cc(Cl)ccc2[C@@H]1O 104457035 573988649 /nfs/dbraw/zinc/98/86/49/573988649.db2.gz SRRVQGVRBORZMF-JTQLQIEISA-N 0 0 196.677 2.956 10 0 AFAERN CCC1(CC)[C@@H](C)C(=O)[C@@H]1C 238230504 573988642 /nfs/dbraw/zinc/98/86/42/573988642.db2.gz PQTNCABGWBQQDD-YUMQZZPRSA-N 0 0 154.253 2.648 10 0 AFAERN C[C@@H](O)Cc1ccc(C2CC2)c(F)c1 258196569 573988750 /nfs/dbraw/zinc/98/87/50/573988750.db2.gz XZOHQENXTUXIGY-MRVPVSSYSA-N 0 0 194.249 2.626 10 0 AFAERN CC[C@@H]([NH3+])c1nccc2ccccc12 82193269 573988816 /nfs/dbraw/zinc/98/88/16/573988816.db2.gz GAOIFWVGMVMORT-LLVKDONJSA-N 0 0 186.258 2.645 10 0 AFAERN CC1(C)Cc2c(F)cc(F)cc2[C@H]1O 104457593 573988817 /nfs/dbraw/zinc/98/88/17/573988817.db2.gz ARELBKQLLQPPNE-SNVBAGLBSA-N 0 0 198.212 2.581 10 0 AFAERN CC1=CC2=CC=C3OC[C@H](CC1)[C@@H]23 238226037 573988850 /nfs/dbraw/zinc/98/88/50/573988850.db2.gz RSIGKOCSOQSEMG-CMPLNLGQSA-N 0 0 174.243 2.813 10 0 AFAERN CC/C=C(\C)C(=O)O[C@@H](C)C(C)C 216731057 573988863 /nfs/dbraw/zinc/98/88/63/573988863.db2.gz PISHAXYGMUZIKN-PCYYEKQGSA-N 0 0 184.279 2.930 10 0 AFAERN CSCCC1(CO)CCCCC1 131796662 573988910 /nfs/dbraw/zinc/98/89/10/573988910.db2.gz BQKNROBUIIQHAD-UHFFFAOYSA-N 0 0 188.336 2.682 10 0 AFAERN CC(C)[C@@H](CF)c1ccccc1CO 258196649 573988921 /nfs/dbraw/zinc/98/89/21/573988921.db2.gz WMZWGVORKXORLV-GFCCVEGCSA-N 0 0 196.265 2.888 10 0 AFAERN CCc1nc2cc(F)ccc2s1 104461982 573989706 /nfs/dbraw/zinc/98/97/06/573989706.db2.gz UVODRXDLXJQOMK-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CC1(C)Cc2ccc(F)cc2C1=O 104461645 573989718 /nfs/dbraw/zinc/98/97/18/573989718.db2.gz HWHGVPNRNDDACB-UHFFFAOYSA-N 0 0 178.206 2.591 10 0 AFAERN CC(C)[C@H](CF)c1ccccc1CO 258196651 573989723 /nfs/dbraw/zinc/98/97/23/573989723.db2.gz WMZWGVORKXORLV-LBPRGKRZSA-N 0 0 196.265 2.888 10 0 AFAERN CCCc1cccc(C(C)=O)c1 82114265 573989760 /nfs/dbraw/zinc/98/97/60/573989760.db2.gz UQWHVBJAAMMMPO-UHFFFAOYSA-N 0 0 162.232 2.842 10 0 AFAERN CC1=CCCC[C@]12CCC(=O)C2 238231089 573989766 /nfs/dbraw/zinc/98/97/66/573989766.db2.gz YYPRSOHLWUJCCW-LLVKDONJSA-N 0 0 164.248 2.856 10 0 AFAERN CC1(C)Cc2c(ccc(F)c2F)[C@@H]1O 104457070 573989775 /nfs/dbraw/zinc/98/97/75/573989775.db2.gz SCIMPWTYJWOBTL-JTQLQIEISA-N 0 0 198.212 2.581 10 0 AFAERN CC1(C)Cc2c(F)cc(F)cc2[C@@H]1O 104457592 573989795 /nfs/dbraw/zinc/98/97/95/573989795.db2.gz ARELBKQLLQPPNE-JTQLQIEISA-N 0 0 198.212 2.581 10 0 AFAERN CC[C@@H](C)CC(=O)C[C@H]1CCCCO1 128015621 573989796 /nfs/dbraw/zinc/98/97/96/573989796.db2.gz PJQVJXJAZXURMA-ZYHUDNBSSA-N 0 0 198.306 2.951 10 0 AFAERN Cc1c(N)cc(C(C)C)cc1N(C)C 238231120 573989801 /nfs/dbraw/zinc/98/98/01/573989801.db2.gz OVXHDLGFRPMUQI-UHFFFAOYSA-N 0 0 192.306 2.767 10 0 AFAERN Cc1cc(C)n(C[C@H]2CC=CCC2)n1 402402399 573989831 /nfs/dbraw/zinc/98/98/31/573989831.db2.gz QJLWXXWNDGXDSG-LBPRGKRZSA-N 0 0 190.290 2.856 10 0 AFAERN CC(C)CC[C@@]1(C)CC(=O)NC1(C)C 85136326 573990073 /nfs/dbraw/zinc/99/00/73/573990073.db2.gz HKJHGJMTQHCJQV-LBPRGKRZSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCCCC(=O)C[C@H](C)OC 127917381 573994161 /nfs/dbraw/zinc/99/41/61/573994161.db2.gz JRLPADRZQPFVQY-JTQLQIEISA-N 0 0 186.295 2.951 10 0 AFAERN CC[C@H](C)C(=O)C[C@H]1CCCCO1 128013095 573992377 /nfs/dbraw/zinc/99/23/77/573992377.db2.gz FOJKJGQRVUXUJY-VHSXEESVSA-N 0 0 184.279 2.561 10 0 AFAERN CC1(C)NC(=O)CC12CCCCCC2 85136221 573991708 /nfs/dbraw/zinc/99/17/08/573991708.db2.gz SJAOPMJYYVHRKG-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CCCCCOCCCC[C@@H](C)O 45622231 573991789 /nfs/dbraw/zinc/99/17/89/573991789.db2.gz JPZAJWQPKHWEEN-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN Fc1ccc(Cl)c(-c2ncc[nH]2)c1 104463991 573991797 /nfs/dbraw/zinc/99/17/97/573991797.db2.gz SXNYUHQBCMVIMW-UHFFFAOYSA-N 0 0 196.612 2.869 10 0 AFAERN CCC(CC)C[C@H](O)C1(C)CC1 128014032 573991882 /nfs/dbraw/zinc/99/18/82/573991882.db2.gz QGHMDFKJVAIBMO-JTQLQIEISA-N 0 0 170.296 2.974 10 0 AFAERN C/C=C(\C)CC(C)C 104463952 573991895 /nfs/dbraw/zinc/99/18/95/573991895.db2.gz BQAZYKYBFAMHPG-VMPITWQZSA-N 0 0 112.216 2.999 10 0 AFAERN Fc1ccc2c(c1)NCC1(CCC1)O2 259262627 573991910 /nfs/dbraw/zinc/99/19/10/573991910.db2.gz OMZDLXJJKQGRDT-UHFFFAOYSA-N 0 0 193.221 2.553 10 0 AFAERN CCC(=O)[C@H]1CCC2=C1CCC2 238233380 573991949 /nfs/dbraw/zinc/99/19/49/573991949.db2.gz CHDBGOFYMUICAH-JTQLQIEISA-N 0 0 164.248 2.856 10 0 AFAERN C[C@@H]1NC(=O)CC12CCCCCCC2 85135769 573991968 /nfs/dbraw/zinc/99/19/68/573991968.db2.gz MFBYLQSDOVZRRS-JTQLQIEISA-N 0 0 195.306 2.626 10 0 AFAERN CCCC[C@H](O)C=C(Cl)Cl 238232854 573992000 /nfs/dbraw/zinc/99/20/00/573992000.db2.gz BMUBJWXCOZLABD-LURJTMIESA-N 0 0 183.078 2.857 10 0 AFAERN O[C@@H](c1sccc1Cl)C1CC1 87623394 573992015 /nfs/dbraw/zinc/99/20/15/573992015.db2.gz TYZZFKADPIYMCB-SSDOTTSWSA-N 0 0 188.679 2.845 10 0 AFAERN CCC[C@@](C)(O)C1CCCC1 87648844 573992133 /nfs/dbraw/zinc/99/21/33/573992133.db2.gz GCIXCOCOMWJNHY-SNVBAGLBSA-N 0 0 156.269 2.728 10 0 AFAERN CC(C)CCCOCCC[C@@H](C)O 45622032 573992018 /nfs/dbraw/zinc/99/20/18/573992018.db2.gz CUQLVMBSBNIHNY-LLVKDONJSA-N 0 0 188.311 2.600 10 0 AFAERN CCC(=O)[C@H]1CC=C(C)C[C@H]1C 238233260 573992033 /nfs/dbraw/zinc/99/20/33/573992033.db2.gz MBTYWVQORAFVRC-ZJUUUORDSA-N 0 0 166.264 2.958 10 0 AFAERN CC1(C)Cc2c(F)ccc(F)c2C1=O 104462363 573992061 /nfs/dbraw/zinc/99/20/61/573992061.db2.gz MULMWEXVHHVNHR-UHFFFAOYSA-N 0 0 196.196 2.730 10 0 AFAERN CC(C)CC[C@]1(C)CC(=O)NC1(C)C 85136324 573992068 /nfs/dbraw/zinc/99/20/68/573992068.db2.gz HKJHGJMTQHCJQV-GFCCVEGCSA-N 0 0 197.322 2.727 10 0 AFAERN CC1=CCC[C@H](CO)CCC1 238232815 573992100 /nfs/dbraw/zinc/99/21/00/573992100.db2.gz OBHGMMGLBCZRJE-JTQLQIEISA-N 0 0 154.253 2.505 10 0 AFAERN CCC(CC)C[C@H](O)CC1CC1 128014446 573992110 /nfs/dbraw/zinc/99/21/10/573992110.db2.gz MXAATFKAIKBLHS-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN CCC[C@](C)(O)c1ccsc1 87648773 573992197 /nfs/dbraw/zinc/99/21/97/573992197.db2.gz KKEGYHPNFMJTKI-VIFPVBQESA-N 0 0 170.277 2.756 10 0 AFAERN CCc1nc2cccc(F)c2s1 104462351 573992318 /nfs/dbraw/zinc/99/23/18/573992318.db2.gz DTHKJNMCAKOCRQ-UHFFFAOYSA-N 0 0 181.235 2.998 10 0 AFAERN CC1=CCC[C@]2(C)CCC(=O)[C@@H]12 238233463 573993378 /nfs/dbraw/zinc/99/33/78/573993378.db2.gz SCNCLSAMDRDHRS-GHMZBOCLSA-N 0 0 164.248 2.712 10 0 AFAERN CCC(F)(F)[C@@H](N)c1ccccc1 104463178 573993236 /nfs/dbraw/zinc/99/32/36/573993236.db2.gz YXSTTWWBZDQUBD-VIFPVBQESA-N 0 0 185.217 2.732 10 0 AFAERN Cc1cc(-c2ccncc2)ccc1C=O 104464986 573993263 /nfs/dbraw/zinc/99/32/63/573993263.db2.gz FUVLISCSVSRYSK-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN CC1=CC[C@@H]2C[C@@H]3CCC(=O)[C@@H]3[C@@H]12 238234842 573994520 /nfs/dbraw/zinc/99/45/20/573994520.db2.gz YJSVMXONFJVOSV-LLHIFLOGSA-N 0 0 176.259 2.568 10 0 AFAERN C/C=C/C(=O)N[C@@H](C)c1cccs1 82237625 573994188 /nfs/dbraw/zinc/99/41/88/573994188.db2.gz AXISNWAQEZQSJR-WGAJWPLOSA-N 0 0 195.287 2.501 10 0 AFAERN Cc1c(N)ccc2cc(F)ccc12 258197471 573994259 /nfs/dbraw/zinc/99/42/59/573994259.db2.gz NJSMUMKYBJENJY-UHFFFAOYSA-N 0 0 175.206 2.870 10 0 AFAERN O=C(CCC1CC1)C[C@H]1CCCCO1 128019990 573994297 /nfs/dbraw/zinc/99/42/97/573994297.db2.gz GRZMUUXAYPHGAT-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN CC1=CCNc2ccc(C)cc21 238234180 573994365 /nfs/dbraw/zinc/99/43/65/573994365.db2.gz YIOSOJQIMOBCGH-UHFFFAOYSA-N 0 0 159.232 2.824 10 0 AFAERN CCCCCCOCCC[C@@H](C)O 45622056 573994420 /nfs/dbraw/zinc/99/44/20/573994420.db2.gz RPUYCXZCWFRDTB-LLVKDONJSA-N 0 0 188.311 2.744 10 0 AFAERN CC(C)C[C@@H](C)OCCC[C@H](C)O 45621906 573994491 /nfs/dbraw/zinc/99/44/91/573994491.db2.gz AYJCEVHLLMKNTP-WDEREUQCSA-N 0 0 188.311 2.599 10 0 AFAERN O=Cc1nccn1C1CCCCCC1 104470624 573994499 /nfs/dbraw/zinc/99/44/99/573994499.db2.gz VAIUODWCLYEIQG-UHFFFAOYSA-N 0 0 192.262 2.591 10 0 AFAERN CCc1c(F)cc(F)c2c1C(=O)CC2 104473918 573994507 /nfs/dbraw/zinc/99/45/07/573994507.db2.gz XFDQJPHRZBCOOG-UHFFFAOYSA-N 0 0 196.196 2.656 10 0 AFAERN CC(C)[C@H](C)Oc1ccc(C=O)cc1 259590991 573996105 /nfs/dbraw/zinc/99/61/05/573996105.db2.gz PMUXDYXDPPPJID-JTQLQIEISA-N 0 0 192.258 2.922 10 0 AFAERN CO[C@@H](C)CC(=O)c1cccc(C)c1 127943870 573997504 /nfs/dbraw/zinc/99/75/04/573997504.db2.gz LNKPFZYMMTVAIC-JTQLQIEISA-N 0 0 192.258 2.603 10 0 AFAERN Clc1cn2ccc(C3CC3)cc2n1 104470985 573997470 /nfs/dbraw/zinc/99/74/70/573997470.db2.gz LZWOHDNKDPOCRI-UHFFFAOYSA-N 0 0 192.649 2.865 10 0 AFAERN CCC(CC)CC(=O)CCCOC 127902822 573996062 /nfs/dbraw/zinc/99/60/62/573996062.db2.gz HKBMSPPHYITJOL-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN Cc1cc(Cl)cc2c1C(=O)CCO2 104475037 573996086 /nfs/dbraw/zinc/99/60/86/573996086.db2.gz SCCDOMCWHHUPMJ-UHFFFAOYSA-N 0 0 196.633 2.614 10 0 AFAERN CCC(CC)C[C@@H](O)c1ccncc1 127941550 573996140 /nfs/dbraw/zinc/99/61/40/573996140.db2.gz BPAVSWKBEGALNV-GFCCVEGCSA-N 0 0 193.290 2.941 10 0 AFAERN c1c[nH]c(-c2ccc3[nH]ccc3c2)n1 104469120 573996146 /nfs/dbraw/zinc/99/61/46/573996146.db2.gz UVPIVHVTWLIDNY-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN Cc1cc(Cl)c2c(c1)OCCC2=O 104475045 573996185 /nfs/dbraw/zinc/99/61/85/573996185.db2.gz VGZNYMGUBKYQQW-UHFFFAOYSA-N 0 0 196.633 2.614 10 0 AFAERN CCc1nccn1C(=O)C(CC)CC 82258095 573996212 /nfs/dbraw/zinc/99/62/12/573996212.db2.gz NRYUFENQGBEELQ-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN CC1=C[C@@H]2[C@H]3C(=O)CCCC[C@@]23C1 238235288 573996214 /nfs/dbraw/zinc/99/62/14/573996214.db2.gz BOJPMRZBUKFETA-ADEWGFFLSA-N 0 0 176.259 2.712 10 0 AFAERN CCC(CC)C[C@H](O)c1ccccn1 127940380 573996233 /nfs/dbraw/zinc/99/62/33/573996233.db2.gz BJVOMZREAQDVOE-LBPRGKRZSA-N 0 0 193.290 2.941 10 0 AFAERN CC1(C)C[C@H]2C=C[C@H](CC2)C1=O 238235045 573996241 /nfs/dbraw/zinc/99/62/41/573996241.db2.gz BYQGZFITSDHXOO-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN CC1=C[C@@H]2C[C@@H]3CC(=O)C[C@@H]3[C@@H]2C1 238235402 573996264 /nfs/dbraw/zinc/99/62/64/573996264.db2.gz LZBDAGDHCSZOCX-IQIPOGNMSA-N 0 0 176.259 2.568 10 0 AFAERN CCOC(=[NH2+])C1=CCCCC1 104471053 573996346 /nfs/dbraw/zinc/99/63/46/573996346.db2.gz OYGZRJWLVOOMBM-UHFFFAOYSA-N 0 0 153.225 2.501 10 0 AFAERN Clc1cn2cccc(Cl)c2n1 104471667 573996411 /nfs/dbraw/zinc/99/64/11/573996411.db2.gz GFKKWNUAUUDWGS-UHFFFAOYSA-N 0 0 187.029 2.641 10 0 AFAERN Cc1ccc(SC2([NH3+])CC2)cc1 259263000 573997487 /nfs/dbraw/zinc/99/74/87/573997487.db2.gz QBDBSKUITRUEHV-UHFFFAOYSA-N 0 0 179.288 2.536 10 0 AFAERN CCCc1cc2ncccc2[nH]1 104470604 573996542 /nfs/dbraw/zinc/99/65/42/573996542.db2.gz RAHIHBIEDOZKID-UHFFFAOYSA-N 0 0 160.220 2.515 10 0 AFAERN CC1=C[C@@H]2[C@H](C1)C[C@@H]1CC(=O)C[C@@H]12 238235446 573996666 /nfs/dbraw/zinc/99/66/66/573996666.db2.gz MZSRWLAPHGUYFX-IQIPOGNMSA-N 0 0 176.259 2.568 10 0 AFAERN CC(C)[C@@H](C)Oc1ccc(C=O)cc1 259590993 573996787 /nfs/dbraw/zinc/99/67/87/573996787.db2.gz PMUXDYXDPPPJID-SNVBAGLBSA-N 0 0 192.258 2.922 10 0 AFAERN CO[C@@H](C)CC(=O)c1csc(C)c1 127909582 573996790 /nfs/dbraw/zinc/99/67/90/573996790.db2.gz UZRPBEWACZIDOT-ZETCQYMHSA-N 0 0 198.287 2.664 10 0 AFAERN CC(C)[C@H]1CC[C@@](C)(C(N)=O)C1(C)C 238235320 573996843 /nfs/dbraw/zinc/99/68/43/573996843.db2.gz OGSAPDHFKLNMQU-SKDRFNHKSA-N 0 0 197.322 2.570 10 0 AFAERN CC1(C)C[C@@H]2CCCC[C@@H]2[C@@H]1O 238234908 573996961 /nfs/dbraw/zinc/99/69/61/573996961.db2.gz VENIBDYKTBBXRP-GUBZILKMSA-N 0 0 168.280 2.584 10 0 AFAERN CCC(CC)CC(=O)[C@H]1CCCO1 127906955 573997153 /nfs/dbraw/zinc/99/71/53/573997153.db2.gz FXRJVIRSMGLGKK-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CCC(CC)C[C@@H](O)c1cccnc1 127941132 573997203 /nfs/dbraw/zinc/99/72/03/573997203.db2.gz KRJNSPCQHKNFCE-GFCCVEGCSA-N 0 0 193.290 2.941 10 0 AFAERN c1c[nH]c(-c2ccc3cc[nH]c3c2)n1 104469853 573997356 /nfs/dbraw/zinc/99/73/56/573997356.db2.gz FSBCRLKTQWTQRH-UHFFFAOYSA-N 0 0 183.214 2.558 10 0 AFAERN CO[C@H](C)CC(=O)c1csc(C)c1 127909328 573997370 /nfs/dbraw/zinc/99/73/70/573997370.db2.gz UZRPBEWACZIDOT-SSDOTTSWSA-N 0 0 198.287 2.664 10 0 AFAERN CCCCCCC(=O)C[C@@H](C)OC 127917147 573998361 /nfs/dbraw/zinc/99/83/61/573998361.db2.gz JRLPADRZQPFVQY-SNVBAGLBSA-N 0 0 186.295 2.951 10 0 AFAERN CC(C)[C@@H]1C=C(CO)[C@@H](C)CC1 238236570 573998466 /nfs/dbraw/zinc/99/84/66/573998466.db2.gz CFVOYKRMPBTZKB-UWVGGRQHSA-N 0 0 168.280 2.607 10 0 AFAERN CCC(CC)C[C@H](O)c1ccncc1 127941355 573998515 /nfs/dbraw/zinc/99/85/15/573998515.db2.gz BPAVSWKBEGALNV-LBPRGKRZSA-N 0 0 193.290 2.941 10 0 AFAERN CC(C)[C@H]1CC[C@H](C)/C(=C\CO)C1 238236331 573998688 /nfs/dbraw/zinc/99/86/88/573998688.db2.gz DOJDBEINGJYLSU-MMURARSESA-N 0 0 182.307 2.997 10 0 AFAERN CC[C@H](C(C)C)n1cccc1C=O 42592998 573998744 /nfs/dbraw/zinc/99/87/44/573998744.db2.gz FQKPFSQYUMVYCI-LLVKDONJSA-N 0 0 179.263 2.908 10 0 AFAERN Nc1cc(Cl)cc(-c2ccco2)n1 74245612 573998914 /nfs/dbraw/zinc/99/89/14/573998914.db2.gz OVVATGNXMGOBOK-UHFFFAOYSA-N 0 0 194.621 2.577 10 0 AFAERN CCCc1[nH]c2c(c1C)C(=O)CCC2 238235664 573998977 /nfs/dbraw/zinc/99/89/77/573998977.db2.gz XGBRTHGTORCQQU-UHFFFAOYSA-N 0 0 191.274 2.795 10 0 AFAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC=S 238237045 573999125 /nfs/dbraw/zinc/99/91/25/573999125.db2.gz DCWXUNDIMMXFTK-AXFHLTTASA-N 0 0 199.363 2.994 10 0 AFAERN Cc1ccc(C(C)C)c2[nH]c(=O)[nH]c12 238236967 573999149 /nfs/dbraw/zinc/99/91/49/573999149.db2.gz UTCNTSPVGBFWPK-UHFFFAOYSA-N 0 0 190.246 2.700 10 0 AFAERN CC1=CC[C@@H](C(C)(C)CO)CC1 238236102 573999316 /nfs/dbraw/zinc/99/93/16/573999316.db2.gz FUNDDWKDFQHQQH-SNVBAGLBSA-N 0 0 168.280 2.751 10 0 AFAERN COC(=O)[C@@H](CCC(C)C)C(C)C 259265652 573999370 /nfs/dbraw/zinc/99/93/70/573999370.db2.gz IRYUOJPKIOJQPK-JTQLQIEISA-N 0 0 186.295 2.868 10 0 AFAERN CO[C@H](C)CC(=O)c1ccc(C)cc1 127948174 573999521 /nfs/dbraw/zinc/99/95/21/573999521.db2.gz USAPNBAFVMJCKL-SNVBAGLBSA-N 0 0 192.258 2.603 10 0 AFAERN COC(=O)C1(C2CCCC2)CCC1 259265239 573999616 /nfs/dbraw/zinc/99/96/16/573999616.db2.gz OLSBCQCDEATYQE-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN CCCc1c(O)ccc2c1CC=CC2 238236983 573999620 /nfs/dbraw/zinc/99/96/20/573999620.db2.gz XLDOTBSDLHHZDI-UHFFFAOYSA-N 0 0 188.270 3.000 10 0 AFAERN CC(C)(C)C1(O)CCC(F)(F)CC1 223791762 573999637 /nfs/dbraw/zinc/99/96/37/573999637.db2.gz SZBVSRHZZCBHBM-UHFFFAOYSA-N 0 0 192.249 2.973 10 0 AFAERN CC(=O)C(C)(C)[C@@H]1CC=C(C)C1 238235894 573999674 /nfs/dbraw/zinc/99/96/74/573999674.db2.gz AAAOHOCWYJGNJX-SNVBAGLBSA-N 0 0 166.264 2.958 10 0 AFAERN CCOc1ccc(SC(=O)[O-])cc1 259263075 573999786 /nfs/dbraw/zinc/99/97/86/573999786.db2.gz QCVGJTDRTMNTLG-UHFFFAOYSA-N 0 0 198.243 2.855 10 0 AFAERN CC(=O)N[C@@]1(C)C=C[C@@H](C(C)C)CC1 238235712 573999867 /nfs/dbraw/zinc/99/98/67/573999867.db2.gz URNZASVGJZVJAG-NEPJUHHUSA-N 0 0 195.306 2.503 10 0 AFAERN CCC[C@@]1(C)CCCC[C@@H]1O 238235867 573999869 /nfs/dbraw/zinc/99/98/69/573999869.db2.gz VEIZANUPOMYBAU-UWVGGRQHSA-N 0 0 156.269 2.728 10 0 AFAERN CCN1c2cccc(C)c2NC[C@H]1C 259265586 573999940 /nfs/dbraw/zinc/99/99/40/573999940.db2.gz OPVHUJRPYFVVDL-SNVBAGLBSA-N 0 0 190.290 2.635 10 0 AFAERN CCCc1c(C)[nH]c2c1C(=O)CCC2 238236448 573999954 /nfs/dbraw/zinc/99/99/54/573999954.db2.gz TVOVXPVMJXUBEN-UHFFFAOYSA-N 0 0 191.274 2.795 10 0 AFAERN CCCCNC(=S)CCC 238235760 574000309 /nfs/dbraw/zinc/00/03/09/574000309.db2.gz KISFVPPZJYBXKY-UHFFFAOYSA-N 0 0 159.298 2.504 10 0 AFAERN CCCCNC(=S)C=C(C)C 238235656 574000097 /nfs/dbraw/zinc/00/00/97/574000097.db2.gz LWHGMSZVALFNLR-UHFFFAOYSA-N 0 0 171.309 2.670 10 0 AFAERN C=Cc1ccc(C(C)C)[nH]1 238237715 574001733 /nfs/dbraw/zinc/00/17/33/574001733.db2.gz XQOVRWRHUUEOBA-UHFFFAOYSA-N 0 0 135.210 2.781 10 0 AFAERN CCC1=C(CC)[C@@H]2C(=O)CC[C@@H]12 238238096 574001773 /nfs/dbraw/zinc/00/17/73/574001773.db2.gz LIBXESMFUDLARP-ONGXEEELSA-N 0 0 164.248 2.712 10 0 AFAERN CC1(C)C=C[C@@H]2C(=O)CC[C@]2(C)C1 238238210 574001859 /nfs/dbraw/zinc/00/18/59/574001859.db2.gz XUIPPUZEBMQUOJ-BXKDBHETSA-N 0 0 178.275 2.958 10 0 AFAERN CONCc1cc([C@H](C)F)ccc1C 258198805 574001967 /nfs/dbraw/zinc/00/19/67/574001967.db2.gz YDMRJDBJTSREJF-VIFPVBQESA-N 0 0 197.253 2.677 10 0 AFAERN CCC(=O)c1c(C)cc(CC)cc1O 238238118 574002044 /nfs/dbraw/zinc/00/20/44/574002044.db2.gz OCIOWUKNMWNJIB-UHFFFAOYSA-N 0 0 192.258 2.856 10 0 AFAERN CCNc1cc(Cl)nc(Cl)c1 104483785 574002076 /nfs/dbraw/zinc/00/20/76/574002076.db2.gz ZWTAGDFTAODIFV-UHFFFAOYSA-N 0 0 191.061 2.820 10 0 AFAERN CC1(C)C=C[C@H]2C(=O)CC[C@]2(C)C1 238238200 574002195 /nfs/dbraw/zinc/00/21/95/574002195.db2.gz XUIPPUZEBMQUOJ-JOYOIKCWSA-N 0 0 178.275 2.958 10 0 AFAERN CC(C)CCC(=O)C[C@H]1CCCCO1 128025669 574002338 /nfs/dbraw/zinc/00/23/38/574002338.db2.gz IHXNDSOOPJGCKV-GFCCVEGCSA-N 0 0 198.306 2.951 10 0 AFAERN CCC(=O)c1c(O)ccc2ccoc12 238239113 574002340 /nfs/dbraw/zinc/00/23/40/574002340.db2.gz NWVJEYSDQLAMJW-UHFFFAOYSA-N 0 0 190.198 2.731 10 0 AFAERN CC(=O)c1ccc2c(c1F)CCCC2 258198727 574002322 /nfs/dbraw/zinc/00/23/22/574002322.db2.gz YBFRYVFDRAMSJV-UHFFFAOYSA-N 0 0 192.233 2.907 10 0 AFAERN CCC1=C(CC)C(C)(C)[C@H]1O 238237667 574003693 /nfs/dbraw/zinc/00/36/93/574003693.db2.gz XJNCEMZYQYUOJD-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN CC1(C)C[C@H](C2CCCCC2)O[C@@H]1O 238238672 574003069 /nfs/dbraw/zinc/00/30/69/574003069.db2.gz FGNICKTUXBBPQH-MNOVXSKESA-N 0 0 198.306 2.700 10 0 AFAERN CCC(=O)c1c(C)cc(C)c(N)c1C 238238090 574003086 /nfs/dbraw/zinc/00/30/86/574003086.db2.gz VUDFZZAXWMXXRU-UHFFFAOYSA-N 0 0 191.274 2.787 10 0 AFAERN CCC(=O)c1c(N)cccc1Cl 238238723 574003178 /nfs/dbraw/zinc/00/31/78/574003178.db2.gz XEUBXIOSIGPBFD-UHFFFAOYSA-N 0 0 183.638 2.515 10 0 AFAERN C=Cc1cc(C)cnc1CC 209771677 574003243 /nfs/dbraw/zinc/00/32/43/574003243.db2.gz ADSQQXINWJVKLR-UHFFFAOYSA-N 0 0 147.221 2.595 10 0 AFAERN CC1=CC[C@@H]2C(=O)[C@H]1CC2(C)C 238238637 574003397 /nfs/dbraw/zinc/00/33/97/574003397.db2.gz FRWDUKOEKGWREV-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN CCCCC[C@H](O)[C@H](C)C(=O)CC 238238832 574003475 /nfs/dbraw/zinc/00/34/75/574003475.db2.gz SLXWBMJFAQAOMA-KOLCDFICSA-N 0 0 186.295 2.543 10 0 AFAERN CCCC(=O)N1CC[C@@H]2CCCC[C@H]21 111248717 574003648 /nfs/dbraw/zinc/00/36/48/574003648.db2.gz DXMRZMRONMBEFE-WDEREUQCSA-N 0 0 195.306 2.578 10 0 AFAERN O=C1CCCc2ccc(Cl)c(F)c21 104487605 574003623 /nfs/dbraw/zinc/00/36/23/574003623.db2.gz POGKQNKFKYJDRK-UHFFFAOYSA-N 0 0 198.624 2.998 10 0 AFAERN CCCc1cc(C2CC2)nc(Cl)n1 238237872 574003716 /nfs/dbraw/zinc/00/37/16/574003716.db2.gz WLXSIBWOONLZCS-UHFFFAOYSA-N 0 0 196.681 2.960 10 0 AFAERN CCC(CC)(CO)CCCSC 131802348 574004711 /nfs/dbraw/zinc/00/47/11/574004711.db2.gz KKMNOLQPTDRLTN-UHFFFAOYSA-N 0 0 190.352 2.928 10 0 AFAERN Cc1nc(C(C)C)nc(Cl)c1F 82303987 574004488 /nfs/dbraw/zinc/00/44/88/574004488.db2.gz JSJQXXGAUFDKLX-UHFFFAOYSA-N 0 0 188.633 2.701 10 0 AFAERN C=Cc1cnc2[nH]c(CC)cc2c1 209771192 574004537 /nfs/dbraw/zinc/00/45/37/574004537.db2.gz VPBJJVXPPXSJOK-UHFFFAOYSA-N 0 0 172.231 2.768 10 0 AFAERN CCc1cc(Cl)cc([C@H](C)CO)c1 258200725 574004554 /nfs/dbraw/zinc/00/45/54/574004554.db2.gz SLRLMNAFKMZZRN-MRVPVSSYSA-N 0 0 198.693 2.998 10 0 AFAERN O=C(CC1CC1)[C@H]1CCCCS1 87680204 574006762 /nfs/dbraw/zinc/00/67/62/574006762.db2.gz XVRSLXVCJSTTIV-SNVBAGLBSA-N 0 0 184.304 2.641 10 0 AFAERN C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccoc1 585380054 574006675 /nfs/dbraw/zinc/00/66/75/574006675.db2.gz SGPUQMCMIBDXBJ-NWDGAFQWSA-N 0 0 189.258 2.573 10 0 AFAERN CC1([C@@H](O)c2ccccc2)CCC1 238239909 574006715 /nfs/dbraw/zinc/00/67/15/574006715.db2.gz LPPFRMJRZHUPNL-NSHDSACASA-N 0 0 176.259 2.910 10 0 AFAERN CC1(C)C[C@H](O)CCc2ccccc21 238239891 574006046 /nfs/dbraw/zinc/00/60/46/574006046.db2.gz BKWGCTANPCAGDG-LLVKDONJSA-N 0 0 190.286 2.661 10 0 AFAERN CC1(C)C(=O)C[C@H]2C=C[C@@H]1CC2 238239757 574006124 /nfs/dbraw/zinc/00/61/24/574006124.db2.gz LBMJVABZUSUHEV-DTWKUNHWSA-N 0 0 164.248 2.568 10 0 AFAERN C=Cc1cnc(CC)cc1C 209771726 574006186 /nfs/dbraw/zinc/00/61/86/574006186.db2.gz KKKDYBHKQBMBRI-UHFFFAOYSA-N 0 0 147.221 2.595 10 0 AFAERN CCC[C@@H]1c2ccccc2CC[C@@H]1O 238240060 574006730 /nfs/dbraw/zinc/00/67/30/574006730.db2.gz IMBWHZKZVDSOIC-OLZOCXBDSA-N 0 0 190.286 2.877 10 0 AFAERN CC=C=C(C(C)(C)CO)[Si](C)(C)C 238240237 574006423 /nfs/dbraw/zinc/00/64/23/574006423.db2.gz VDEVKXSBASGNMH-UHFFFAOYSA-N 0 0 198.382 2.984 10 0 AFAERN CC1(C)C[C@@]2(C)CCCC(=O)[C@@H]12 238245533 574006737 /nfs/dbraw/zinc/00/67/37/574006737.db2.gz GXVPLICMIIYEMM-GXSJLCMTSA-N 0 0 166.264 2.792 10 0 AFAERN CCC1=CCC(C)(C)[C@@H](O)C1 238239898 574006496 /nfs/dbraw/zinc/00/64/96/574006496.db2.gz WVTOKRNITVPQEC-VIFPVBQESA-N 0 0 154.253 2.504 10 0 AFAERN CC(=O)[C@H]1CSc2cccc(F)c21 258199814 574006568 /nfs/dbraw/zinc/00/65/68/574006568.db2.gz ULQSGDJTACFWIX-SSDOTTSWSA-N 0 0 196.246 2.604 10 0 AFAERN CCCc1ccc([C@H]2C[C@H](O)C2)cc1 238245651 574006569 /nfs/dbraw/zinc/00/65/69/574006569.db2.gz VGTDIUHZJSCLOY-BETUJISGSA-N 0 0 190.286 2.877 10 0 AFAERN CC(=O)Cc1cc(O)cc(C(C)C)c1 258198886 574006583 /nfs/dbraw/zinc/00/65/83/574006583.db2.gz YFOUAMLLKJEZGR-UHFFFAOYSA-N 0 0 192.258 2.647 10 0 AFAERN CC(C)(C)Cc1ccnc(Cl)n1 258200934 574006596 /nfs/dbraw/zinc/00/65/96/574006596.db2.gz VJBMTBYUNDWLQB-UHFFFAOYSA-N 0 0 184.670 2.719 10 0 AFAERN CC1=CC[C@@H]2[C@H]1C(=O)CC2(C)C 238239597 574006620 /nfs/dbraw/zinc/00/66/20/574006620.db2.gz HEXNBUQTFRBAPR-SCZZXKLOSA-N 0 0 164.248 2.568 10 0 AFAERN Nc1cc(-c2ccc(F)cc2)co1 258200692 574006746 /nfs/dbraw/zinc/00/67/46/574006746.db2.gz VERFVGWAGPTVCT-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CCCc1ccc2ccc(=O)cc-2[nH]1 238247093 574009152 /nfs/dbraw/zinc/00/91/52/574009152.db2.gz FYQXGAYBGXTTHQ-UHFFFAOYSA-N 0 0 187.242 2.893 10 0 AFAERN CC1=C[C@@H](C/C(C)=C/CO)SCC1 238247462 574008855 /nfs/dbraw/zinc/00/88/55/574008855.db2.gz LQXNDEKAIYDGJC-DKSFEKEHSA-N 0 0 198.331 2.767 10 0 AFAERN CN[C@H](c1cccc(C)c1)C(F)F 87687430 574010708 /nfs/dbraw/zinc/01/07/08/574010708.db2.gz JLPONVRNFQTLDE-SECBINFHSA-N 0 0 185.217 2.521 10 0 AFAERN CC1(C)CCC(O)(C(F)F)CC1 87687090 574010677 /nfs/dbraw/zinc/01/06/77/574010677.db2.gz GKDBLMCWJQBONK-UHFFFAOYSA-N 0 0 178.222 2.583 10 0 AFAERN CCCC(=S)NC(C)(C)C 238247399 574010025 /nfs/dbraw/zinc/01/00/25/574010025.db2.gz QOTHMFJEZXBAMI-UHFFFAOYSA-N 0 0 159.298 2.502 10 0 AFAERN NOCc1ccccc1C1CCCC1 258201132 574010028 /nfs/dbraw/zinc/01/00/28/574010028.db2.gz YLLHZAXSHZBJIQ-UHFFFAOYSA-N 0 0 191.274 2.735 10 0 AFAERN OC1(c2ccc(C(F)F)cc2)CC1 258203213 574010064 /nfs/dbraw/zinc/01/00/64/574010064.db2.gz YPSYPFAIVIOVIH-UHFFFAOYSA-N 0 0 184.185 2.606 10 0 AFAERN Cc1ccc(C=O)c([C@H](C)CC=O)c1 258203309 574010071 /nfs/dbraw/zinc/01/00/71/574010071.db2.gz YQPGCLMWHXTIPW-SNVBAGLBSA-N 0 0 190.242 2.500 10 0 AFAERN C/C=C\c1cc(C)ccc1O 111343747 574010077 /nfs/dbraw/zinc/01/00/77/574010077.db2.gz WPHPAOKIUGOXMM-ARJAWSKDSA-N 0 0 148.205 2.734 10 0 AFAERN CCC[C@H](C)C(F)C=O 238246764 574010079 /nfs/dbraw/zinc/01/00/79/574010079.db2.gz TXRMDXUVYNVFSR-ZHURGCMGSA-N 0 0 132.178 2.792 10 0 AFAERN CC1=C(C)Cc2ccccc2NC1 238246860 574010159 /nfs/dbraw/zinc/01/01/59/574010159.db2.gz RFOORHAPXIMAAV-UHFFFAOYSA-N 0 0 173.259 2.991 10 0 AFAERN CCCc1ccc2c(c1O)NCCC2 238246272 574010259 /nfs/dbraw/zinc/01/02/59/574010259.db2.gz VWLMUGAOCHLQAV-UHFFFAOYSA-N 0 0 191.274 2.703 10 0 AFAERN CCCc1ccc2cccnc2c1N 238247175 574010399 /nfs/dbraw/zinc/01/03/99/574010399.db2.gz MAKFREFWSWQQLC-UHFFFAOYSA-N 0 0 186.258 2.770 10 0 AFAERN CC1(C)CCCC[C@@]1(O)C(F)F 87687237 574010400 /nfs/dbraw/zinc/01/04/00/574010400.db2.gz WRRHEZOSRBMZDO-SECBINFHSA-N 0 0 178.222 2.583 10 0 AFAERN CSc1cc(C)ccc1[C@@H](C)CO 258201137 574010401 /nfs/dbraw/zinc/01/04/01/574010401.db2.gz YLRFJVMPVYMRTI-VIFPVBQESA-N 0 0 196.315 2.813 10 0 AFAERN CCc1ccc(CC)c(C[C@H](C)O)c1 258203026 574010436 /nfs/dbraw/zinc/01/04/36/574010436.db2.gz YNHMWMYOTTWOOR-JTQLQIEISA-N 0 0 192.302 2.735 10 0 AFAERN C[C@@H]1CCC[C@@](O)(C(F)F)CC1 87687159 574010445 /nfs/dbraw/zinc/01/04/45/574010445.db2.gz CSRINFYUZVXDHA-APPZFPTMSA-N 0 0 178.222 2.583 10 0 AFAERN CC1(C)CCC[C@@](O)(C(F)F)C1 87687094 574010458 /nfs/dbraw/zinc/01/04/58/574010458.db2.gz RYIUKUWEVPFUGY-VIFPVBQESA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@@H]1CCCC[C@@]1(O)C(F)F 87687088 574010490 /nfs/dbraw/zinc/01/04/90/574010490.db2.gz RRDAGUNEXZYTBR-APPZFPTMSA-N 0 0 178.222 2.583 10 0 AFAERN CCCC(=O)c1cccc(O)c1F 238246506 574010522 /nfs/dbraw/zinc/01/05/22/574010522.db2.gz OKFMXNSOGLBKTN-UHFFFAOYSA-N 0 0 182.194 2.514 10 0 AFAERN CCC1CCC(O)(C(F)F)CC1 87686728 574010538 /nfs/dbraw/zinc/01/05/38/574010538.db2.gz CEPHLOZQADGZFD-UHFFFAOYSA-N 0 0 178.222 2.583 10 0 AFAERN CN[C@H](c1ccccc1C)C(F)F 87687424 574010554 /nfs/dbraw/zinc/01/05/54/574010554.db2.gz JWSZRPJVVHPBNR-SECBINFHSA-N 0 0 185.217 2.521 10 0 AFAERN CCCc1ccc2c(c1)[C@@H](CO)CC2 238246542 574010602 /nfs/dbraw/zinc/01/06/02/574010602.db2.gz OLOFRJFIECJWBN-GFCCVEGCSA-N 0 0 190.286 2.661 10 0 AFAERN C[C@@H]1CC(C)(C)C[C@](O)(C(F)F)C1 87686723 574010631 /nfs/dbraw/zinc/01/06/31/574010631.db2.gz JDAMADJYWRVTLP-XCBNKYQSSA-N 0 0 192.249 2.829 10 0 AFAERN Cc1ccc(C)c([C@H](O)C(F)F)c1 87686932 574010725 /nfs/dbraw/zinc/01/07/25/574010725.db2.gz DXXVXJTYKLXTEM-VIFPVBQESA-N 0 0 186.201 2.602 10 0 AFAERN Cc1ccsc1[C@](C)(O)C(F)F 87687054 574011537 /nfs/dbraw/zinc/01/15/37/574011537.db2.gz QZQOIWMOWRPQGY-QMMMGPOBSA-N 0 0 192.230 2.529 10 0 AFAERN CN[C@@H](c1ccc(C)cc1)C(F)F 87687375 574011548 /nfs/dbraw/zinc/01/15/48/574011548.db2.gz FJRXROOIDSBSDQ-VIFPVBQESA-N 0 0 185.217 2.521 10 0 AFAERN C[C@H]1CC(C)(C)C[C@](O)(C(F)F)C1 87686724 574011557 /nfs/dbraw/zinc/01/15/57/574011557.db2.gz JDAMADJYWRVTLP-XVKPBYJWSA-N 0 0 192.249 2.829 10 0 AFAERN O[C@H](C(F)F)C1CCCCCC1 87687191 574011566 /nfs/dbraw/zinc/01/15/66/574011566.db2.gz PZYCGMSJYDMLFY-QMMMGPOBSA-N 0 0 178.222 2.583 10 0 AFAERN CC[C@@](O)(c1ccccc1)C(F)F 87686793 574012795 /nfs/dbraw/zinc/01/27/95/574012795.db2.gz WGEPLYQUHIPFIK-SNVBAGLBSA-N 0 0 186.201 2.549 10 0 AFAERN CCC1(C(=O)C2(C)CC2)CC1 238247827 574012417 /nfs/dbraw/zinc/01/24/17/574012417.db2.gz JSLKTTIBHCGAQH-UHFFFAOYSA-N 0 0 152.237 2.546 10 0 AFAERN Cc1cccc([C@H](O)C(F)F)c1C 87686948 574012427 /nfs/dbraw/zinc/01/24/27/574012427.db2.gz OPECCZCSYIXORQ-VIFPVBQESA-N 0 0 186.201 2.602 10 0 AFAERN Cc1ccc([C@@H](O)C(F)F)cc1C 87686951 574012519 /nfs/dbraw/zinc/01/25/19/574012519.db2.gz KIQWONMCISFPFC-SECBINFHSA-N 0 0 186.201 2.602 10 0 AFAERN c1ccn(C[C@H]2CCCCS2)c1 87686410 574012568 /nfs/dbraw/zinc/01/25/68/574012568.db2.gz IDGLMQMGFAPUOI-SNVBAGLBSA-N 0 0 181.304 2.774 10 0 AFAERN O=Cc1cncn1C1CCCCCC1 85194135 574012607 /nfs/dbraw/zinc/01/26/07/574012607.db2.gz JRBAZGFAEAXZQI-UHFFFAOYSA-N 0 0 192.262 2.591 10 0 AFAERN O[C@H](c1cc(Cl)cs1)C(F)F 87687233 574012619 /nfs/dbraw/zinc/01/26/19/574012619.db2.gz PWWJUARWFHSTRI-RXMQYKEDSA-N 0 0 198.621 2.700 10 0 AFAERN CC1(C)CCC[C@](O)(C(F)F)C1 87687093 574012674 /nfs/dbraw/zinc/01/26/74/574012674.db2.gz RYIUKUWEVPFUGY-SECBINFHSA-N 0 0 178.222 2.583 10 0 AFAERN CC1=CC[C@@H]2CC=C[C@H]2C1 111354756 574012723 /nfs/dbraw/zinc/01/27/23/574012723.db2.gz QUUPYIWVLBJWNG-UWVGGRQHSA-N 0 0 134.222 2.919 10 0 AFAERN CC1=C(C)c2c(O)cccc2C1 238247655 574012750 /nfs/dbraw/zinc/01/27/50/574012750.db2.gz UUOJKVPTTDPOPF-UHFFFAOYSA-N 0 0 160.216 2.742 10 0 AFAERN N[C@@](c1ccccc1)(C(F)F)C1CC1 87688091 574013772 /nfs/dbraw/zinc/01/37/72/574013772.db2.gz ALXSQEQEQCVCOH-LLVKDONJSA-N 0 0 197.228 2.516 10 0 AFAERN CC(C)[C@@](N)(c1ccccc1)C(F)F 87688188 574014194 /nfs/dbraw/zinc/01/41/94/574014194.db2.gz FOVWQHZNECSRFE-LLVKDONJSA-N 0 0 199.244 2.762 10 0 AFAERN Cc1cccc([C@H](N)C(F)F)c1C 87688302 574013613 /nfs/dbraw/zinc/01/36/13/574013613.db2.gz VJZWQPIHRKFYHF-VIFPVBQESA-N 0 0 185.217 2.568 10 0 AFAERN CC[C@](N)(c1ccc(C)cc1)C(F)F 87688078 574013813 /nfs/dbraw/zinc/01/38/13/574013813.db2.gz NZQYUQFKNATIAP-NSHDSACASA-N 0 0 199.244 2.824 10 0 AFAERN CCc1cc(CC)c2c(c1)C(=O)CC2 104496971 574013847 /nfs/dbraw/zinc/01/38/47/574013847.db2.gz SGFMARCPCSUAKO-UHFFFAOYSA-N 0 0 188.270 2.940 10 0 AFAERN CC[C@](O)(c1cccs1)C(F)F 87687676 574013908 /nfs/dbraw/zinc/01/39/08/574013908.db2.gz SPZIRLZHCWNRBX-QMMMGPOBSA-N 0 0 192.230 2.611 10 0 AFAERN CC1=CC[C@H]2CC=C[C@H]2C1 111354758 574013910 /nfs/dbraw/zinc/01/39/10/574013910.db2.gz QUUPYIWVLBJWNG-ZJUUUORDSA-N 0 0 134.222 2.919 10 0 AFAERN OC1(C(F)F)CCCCCCC1 87687717 574013941 /nfs/dbraw/zinc/01/39/41/574013941.db2.gz PCYQOSSSLAWSQR-UHFFFAOYSA-N 0 0 178.222 2.727 10 0 AFAERN CC(C)c1ccc(O)c(=S)[nH]1 238240437 574013949 /nfs/dbraw/zinc/01/39/49/574013949.db2.gz RXTSZLBNZMGWMW-UHFFFAOYSA-N 0 0 169.249 2.573 10 0 AFAERN N[C@@H](c1ccccc1C1CC1)C(F)F 87688001 574013982 /nfs/dbraw/zinc/01/39/82/574013982.db2.gz JZMBUOCIRMYKEB-JTQLQIEISA-N 0 0 197.228 2.829 10 0 AFAERN CCC/C=C\Cl 111352959 574014081 /nfs/dbraw/zinc/01/40/81/574014081.db2.gz NKNYZKFBNQUWTM-PLNGDYQASA-N 0 0 104.580 2.539 10 0 AFAERN CCc1ccccc1[C@H](N)C(F)F 87688087 574014124 /nfs/dbraw/zinc/01/41/24/574014124.db2.gz QFCFUKWDVNTZHD-VIFPVBQESA-N 0 0 185.217 2.514 10 0 AFAERN CCC/C=C\C[C@@H]1CCC[C@@H]1O 111422700 574016133 /nfs/dbraw/zinc/01/61/33/574016133.db2.gz OLPVLAJYJZWXPZ-KWKBKKAHSA-N 0 0 168.280 2.894 10 0 AFAERN Cc1ccc([C@](C)(N)C(F)F)c(C)c1 87688351 574016167 /nfs/dbraw/zinc/01/61/67/574016167.db2.gz GRTQXLGDZYTROE-NSHDSACASA-N 0 0 199.244 2.742 10 0 AFAERN N[C@@H](c1cccc(C2CC2)c1)C(F)F 87688349 574015151 /nfs/dbraw/zinc/01/51/51/574015151.db2.gz AJJNNXFZBAGHCM-JTQLQIEISA-N 0 0 197.228 2.829 10 0 AFAERN CN[C@@](C)(c1cccc(C)c1)C(F)F 87688557 574015168 /nfs/dbraw/zinc/01/51/68/574015168.db2.gz UIROIJGFJRXZLO-NSHDSACASA-N 0 0 199.244 2.695 10 0 AFAERN O=C1CCCc2ccc3cc[nH]c3c21 104495554 574015186 /nfs/dbraw/zinc/01/51/86/574015186.db2.gz VHAGJFMPPNWGDH-UHFFFAOYSA-N 0 0 185.226 2.687 10 0 AFAERN CN[C@](C)(c1cccc(C)c1)C(F)F 87688558 574015262 /nfs/dbraw/zinc/01/52/62/574015262.db2.gz UIROIJGFJRXZLO-LLVKDONJSA-N 0 0 199.244 2.695 10 0 AFAERN CO[C@@H](C)C[C@H](O)CCC(C)(C)C 128068097 574015315 /nfs/dbraw/zinc/01/53/15/574015315.db2.gz XFNPQQZQJUPGFI-VHSXEESVSA-N 0 0 188.311 2.599 10 0 AFAERN CN[C@@H](c1ccc(C)c(C)c1)C(F)F 87688529 574016194 /nfs/dbraw/zinc/01/61/94/574016194.db2.gz BUZSOZXHINBGPK-JTQLQIEISA-N 0 0 199.244 2.829 10 0 AFAERN CN[C@H](c1cccc(C)c1C)C(F)F 87688767 574015399 /nfs/dbraw/zinc/01/53/99/574015399.db2.gz AUXRKUYYZRJIOK-SNVBAGLBSA-N 0 0 199.244 2.829 10 0 AFAERN Cc1ccc([C@@](C)(O)C(F)F)s1 87687743 574015432 /nfs/dbraw/zinc/01/54/32/574015432.db2.gz KJTPPKXGEAJMEB-MRVPVSSYSA-N 0 0 192.230 2.529 10 0 AFAERN CN[C@H](c1cc(C)cc(C)c1)C(F)F 87688819 574015463 /nfs/dbraw/zinc/01/54/63/574015463.db2.gz LCNLOHJQUZDXNS-SNVBAGLBSA-N 0 0 199.244 2.829 10 0 AFAERN O[C@@](c1ccccc1)(C(F)F)C1CC1 87687797 574015512 /nfs/dbraw/zinc/01/55/12/574015512.db2.gz RWYZYRSKYBJRSH-LLVKDONJSA-N 0 0 198.212 2.549 10 0 AFAERN N[C@](c1ccccc1)(C(F)F)C1CC1 87688092 574015517 /nfs/dbraw/zinc/01/55/17/574015517.db2.gz ALXSQEQEQCVCOH-NSHDSACASA-N 0 0 197.228 2.516 10 0 AFAERN CO[C@H](C)C[C@H](O)CCC(C)(C)C 128068310 574016200 /nfs/dbraw/zinc/01/62/00/574016200.db2.gz XFNPQQZQJUPGFI-NXEZZACHSA-N 0 0 188.311 2.599 10 0 AFAERN CN[C@@H](c1ccc(C)cc1C)C(F)F 87688759 574015597 /nfs/dbraw/zinc/01/55/97/574015597.db2.gz UJSLHVRJHHLAPZ-JTQLQIEISA-N 0 0 199.244 2.829 10 0 AFAERN Cc1ccc([C@@](C)(N)C(F)F)c(C)c1 87688352 574015638 /nfs/dbraw/zinc/01/56/38/574015638.db2.gz GRTQXLGDZYTROE-LLVKDONJSA-N 0 0 199.244 2.742 10 0 AFAERN N[C@@H](c1ccc(C2CC2)cc1)C(F)F 87687941 574015662 /nfs/dbraw/zinc/01/56/62/574015662.db2.gz YWWNFRXCXBCDPZ-JTQLQIEISA-N 0 0 197.228 2.829 10 0 AFAERN CN[C@@](C)(c1ccccc1C)C(F)F 87688445 574015683 /nfs/dbraw/zinc/01/56/83/574015683.db2.gz JBWJAVUOWVAPFC-NSHDSACASA-N 0 0 199.244 2.695 10 0 AFAERN CC[C@@](N)(c1ccc(C)cc1)C(F)F 87688077 574015688 /nfs/dbraw/zinc/01/56/88/574015688.db2.gz NZQYUQFKNATIAP-LLVKDONJSA-N 0 0 199.244 2.824 10 0 AFAERN CC(C)[C@](N)(c1ccccc1)C(F)F 87688189 574015756 /nfs/dbraw/zinc/01/57/56/574015756.db2.gz FOVWQHZNECSRFE-NSHDSACASA-N 0 0 199.244 2.762 10 0 AFAERN CC(C)Oc1cccc2c1C(=O)CC2 104499470 574015768 /nfs/dbraw/zinc/01/57/68/574015768.db2.gz MDDXDKOUECHIDH-UHFFFAOYSA-N 0 0 190.242 2.603 10 0 AFAERN CC[C@](N)(c1ccccc1)C(F)F 87688289 574015805 /nfs/dbraw/zinc/01/58/05/574015805.db2.gz LUVUGUYFFWVGHC-JTQLQIEISA-N 0 0 185.217 2.516 10 0 AFAERN CN[C@H](c1ccc(C)c(C)c1)C(F)F 87688530 574015848 /nfs/dbraw/zinc/01/58/48/574015848.db2.gz BUZSOZXHINBGPK-SNVBAGLBSA-N 0 0 199.244 2.829 10 0 AFAERN Cc1ccc(C)c([C@@](C)(N)C(F)F)c1 87688150 574016220 /nfs/dbraw/zinc/01/62/20/574016220.db2.gz YKIYWGHZQJWXGO-LLVKDONJSA-N 0 0 199.244 2.742 10 0 AFAERN O[C@](c1ccccc1)(C(F)F)C1CC1 87687798 574015870 /nfs/dbraw/zinc/01/58/70/574015870.db2.gz RWYZYRSKYBJRSH-NSHDSACASA-N 0 0 198.212 2.549 10 0 AFAERN CCCc1cccc2c1C(=O)CCO2 104501569 574015871 /nfs/dbraw/zinc/01/58/71/574015871.db2.gz OGFJUNKJEHIJIW-UHFFFAOYSA-N 0 0 190.242 2.604 10 0 AFAERN Cc1ccc([C@](C)(N)C(F)F)cc1C 87688246 574016227 /nfs/dbraw/zinc/01/62/27/574016227.db2.gz CQEQAIYBJQPTLY-NSHDSACASA-N 0 0 199.244 2.742 10 0 AFAERN Clc1cnc(Oc2cccnc2)o1 258466074 574016024 /nfs/dbraw/zinc/01/60/24/574016024.db2.gz HJOLSDZPAOZQEJ-UHFFFAOYSA-N 0 0 196.593 2.515 10 0 AFAERN Cc1ccc([C@](C)(O)C(F)F)s1 87687742 574016053 /nfs/dbraw/zinc/01/60/53/574016053.db2.gz KJTPPKXGEAJMEB-QMMMGPOBSA-N 0 0 192.230 2.529 10 0 AFAERN CN[C@](C)(c1ccc(C)cc1)C(F)F 87688511 574016081 /nfs/dbraw/zinc/01/60/81/574016081.db2.gz XJGYNYKAQAKFIX-LLVKDONJSA-N 0 0 199.244 2.695 10 0 AFAERN CC[C@@H](CO)c1nc(C(C)C)cs1 259273016 574016110 /nfs/dbraw/zinc/01/61/10/574016110.db2.gz OWDOZYMFQSJCQQ-QMMMGPOBSA-N 0 0 199.319 2.752 10 0 AFAERN CC(C)c1ccc2c(c1)OCCC2=O 104501564 574017021 /nfs/dbraw/zinc/01/70/21/574017021.db2.gz SQZHANQAWSOMKS-UHFFFAOYSA-N 0 0 190.242 2.775 10 0 AFAERN Cc1cc2c(c(C)c1O)CCCC2=O 104499484 574017109 /nfs/dbraw/zinc/01/71/09/574017109.db2.gz RJHVLYCZNHLQNA-UHFFFAOYSA-N 0 0 190.242 2.528 10 0 AFAERN CO[C@H](C)C[C@@H](O)CCC(C)(C)C 128068738 574017275 /nfs/dbraw/zinc/01/72/75/574017275.db2.gz XFNPQQZQJUPGFI-ZJUUUORDSA-N 0 0 188.311 2.599 10 0 AFAERN COC(=N)C1CCCCCCC1 87690602 574017383 /nfs/dbraw/zinc/01/73/83/574017383.db2.gz LWUDNTWUXWBBSP-UHFFFAOYSA-N 0 0 169.268 2.971 10 0 AFAERN O[C@@H](c1ccccc1)[C@@H]1CCCS1 87702146 574017445 /nfs/dbraw/zinc/01/74/45/574017445.db2.gz BRUHFRBAEGXQBI-QWRGUYRKSA-N 0 0 194.299 2.616 10 0 AFAERN CC(C)CCN(C)c1cccc(N)c1 48663056 574017476 /nfs/dbraw/zinc/01/74/76/574017476.db2.gz ABHXHSDWVQMTKX-UHFFFAOYSA-N 0 0 192.306 2.751 10 0 AFAERN CC[C@@H](C)C[C@H](O)[C@@H]1CCCS1 87702750 574017502 /nfs/dbraw/zinc/01/75/02/574017502.db2.gz FCTVQPTXUNZTJP-UTLUCORTSA-N 0 0 188.336 2.679 10 0 AFAERN O[C@H](c1ccccc1)[C@@H]1CCCS1 87702148 574019301 /nfs/dbraw/zinc/01/93/01/574019301.db2.gz BRUHFRBAEGXQBI-WDEREUQCSA-N 0 0 194.299 2.616 10 0 AFAERN CC(=O)c1cc(C)cc2c1O[C@H](C)C2 259276469 574019344 /nfs/dbraw/zinc/01/93/44/574019344.db2.gz AFJDLRADKZGHTM-MRVPVSSYSA-N 0 0 190.242 2.521 10 0 AFAERN CC(C)(C)Cc1nc(Cl)c[nH]1 258466320 574019571 /nfs/dbraw/zinc/01/95/71/574019571.db2.gz HKUIBSAYANQZCD-UHFFFAOYSA-N 0 0 172.659 2.652 10 0 AFAERN Cc1ccc(C2CCOCC2)c(O)c1 259276350 574019443 /nfs/dbraw/zinc/01/94/43/574019443.db2.gz AEAAIEHFLVCRKQ-UHFFFAOYSA-N 0 0 192.258 2.595 10 0 AFAERN CC[C@H](C)[C@H](O)[C@@H]1CCCCS1 87704556 574021232 /nfs/dbraw/zinc/02/12/32/574021232.db2.gz DHMAZPFOEWFUCJ-GUBZILKMSA-N 0 0 188.336 2.679 10 0 AFAERN CC(C)(C)[C@H](O)[C@H]1CCCCS1 87703770 574021292 /nfs/dbraw/zinc/02/12/92/574021292.db2.gz SXOZMTJETBKRIV-RKDXNWHRSA-N 0 0 188.336 2.679 10 0 AFAERN O[C@H](c1ccoc1)[C@H]1CCCCS1 87704706 574021294 /nfs/dbraw/zinc/02/12/94/574021294.db2.gz IFDKMWYVKWZUTQ-NXEZZACHSA-N 0 0 198.287 2.599 10 0 AFAERN Cc1cccc(-n2ccc(C=O)c2)c1 111495696 574021059 /nfs/dbraw/zinc/02/10/59/574021059.db2.gz XVIZXHFOBKFJQP-UHFFFAOYSA-N 0 0 185.226 2.598 10 0 AFAERN CC(C)C[C@H](O)[C@H]1CCCCS1 87703959 574021157 /nfs/dbraw/zinc/02/11/57/574021157.db2.gz MOVRDVTZVNGMKI-VHSXEESVSA-N 0 0 188.336 2.679 10 0 AFAERN O[C@H](c1ccoc1)[C@@H]1CCCCS1 87704702 574021176 /nfs/dbraw/zinc/02/11/76/574021176.db2.gz IFDKMWYVKWZUTQ-VHSXEESVSA-N 0 0 198.287 2.599 10 0 AFAERN CC[C@@H](C)c1cc(Cl)on1 87724035 574023479 /nfs/dbraw/zinc/02/34/79/574023479.db2.gz UGEMHQHFZBGSCR-RXMQYKEDSA-N 0 0 159.616 2.842 10 0 AFAERN Cc1cc(C=O)cnc1SC(C)C 87719687 574023124 /nfs/dbraw/zinc/02/31/24/574023124.db2.gz PWDUUCQDQZWLOY-UHFFFAOYSA-N 0 0 195.287 2.703 10 0 AFAERN CCN[C@H](C(F)(F)F)C1(C)CCC1 686130156 574023139 /nfs/dbraw/zinc/02/31/39/574023139.db2.gz MUFKIJQDZMRTRC-ZETCQYMHSA-N 0 0 195.228 2.717 10 0 AFAERN CC(C)C[C@@H](C)Nc1cccc(N)[nH+]1 87725873 574023177 /nfs/dbraw/zinc/02/31/77/574023177.db2.gz GDTNHDSJYUXDKG-SECBINFHSA-N 0 0 193.294 2.510 10 0 AFAERN Cl/C=C\c1ccc2c(c1)OCO2 35940075 574023209 /nfs/dbraw/zinc/02/32/09/574023209.db2.gz QTRKODMYVTZIJJ-ARJAWSKDSA-N 0 0 182.606 2.625 10 0 AFAERN Clc1cc(C2CCC2)no1 87724057 574023222 /nfs/dbraw/zinc/02/32/22/574023222.db2.gz ZQEPDRDMZGSATC-UHFFFAOYSA-N 0 0 157.600 2.596 10 0 AFAERN O=Cc1c2ccoc2cc2ccoc12 259276534 574023262 /nfs/dbraw/zinc/02/32/62/574023262.db2.gz MCQGSEHIANAURI-UHFFFAOYSA-N 0 0 186.166 2.992 10 0 AFAERN C[C@@H]1C[C@@]1(O)c1sccc1Cl 87722737 574023275 /nfs/dbraw/zinc/02/32/75/574023275.db2.gz JPPBOMAZIHVVOI-XRGYYRRGSA-N 0 0 188.679 2.629 10 0 AFAERN CC[C@H](C)c1cc(Cl)on1 87724036 574023278 /nfs/dbraw/zinc/02/32/78/574023278.db2.gz UGEMHQHFZBGSCR-YFKPBYRVSA-N 0 0 159.616 2.842 10 0 AFAERN CC(C)C[C@H](C)Nc1cccc(N)[nH+]1 87725875 574023299 /nfs/dbraw/zinc/02/32/99/574023299.db2.gz GDTNHDSJYUXDKG-VIFPVBQESA-N 0 0 193.294 2.510 10 0 AFAERN CC[C@@H](C)[C@H](C)Nc1cccc(N)[nH+]1 87726105 574023348 /nfs/dbraw/zinc/02/33/48/574023348.db2.gz IJVWODNFIXLMNU-BDAKNGLRSA-N 0 0 193.294 2.510 10 0 AFAERN CC/C=C\C(=O)OC(CC)CC 223913566 574023387 /nfs/dbraw/zinc/02/33/87/574023387.db2.gz PLGURZSRXVMEDJ-FPLPWBNLSA-N 0 0 170.252 2.684 10 0 AFAERN CC[C@@H](C)[C@@H](C)Nc1cccc(N)[nH+]1 87726102 574023505 /nfs/dbraw/zinc/02/35/05/574023505.db2.gz IJVWODNFIXLMNU-RKDXNWHRSA-N 0 0 193.294 2.510 10 0 AFAERN Cc1ccc(-c2onc(N)c2C)cc1 85278154 574024144 /nfs/dbraw/zinc/02/41/44/574024144.db2.gz GVZMJYGMIURHFF-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN Cc1cccc(-c2cc(N)no2)c1C 85278446 574024146 /nfs/dbraw/zinc/02/41/46/574024146.db2.gz UZYYGSDYFXNXMP-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCN[C@@]1(C(F)(F)F)CC[C@H](C)C1 85277236 574024167 /nfs/dbraw/zinc/02/41/67/574024167.db2.gz MZTMQCZMMQAIGR-YUMQZZPRSA-N 0 0 195.228 2.717 10 0 AFAERN CN[C@@]1(C(F)(F)F)CCCC[C@@H]1C 85276298 574024174 /nfs/dbraw/zinc/02/41/74/574024174.db2.gz KCLLORJGGPITEU-YUMQZZPRSA-N 0 0 195.228 2.717 10 0 AFAERN CN[C@](C)(C1CCCC1)C(F)(F)F 85276444 574024219 /nfs/dbraw/zinc/02/42/19/574024219.db2.gz WOLMDIWYNYKMBF-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN Cc1cc(-c2cc(N)no2)sc1C 85278548 574024230 /nfs/dbraw/zinc/02/42/30/574024230.db2.gz VUJYJIWMKMQGEO-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCN[C@]1(C(F)(F)F)CC[C@H](C)C1 85277233 574024336 /nfs/dbraw/zinc/02/43/36/574024336.db2.gz MZTMQCZMMQAIGR-JGVFFNPUSA-N 0 0 195.228 2.717 10 0 AFAERN Clc1ncnnc1C1CCCCC1 259277285 574024340 /nfs/dbraw/zinc/02/43/40/574024340.db2.gz RFTAJUDKZQDVGD-UHFFFAOYSA-N 0 0 197.669 2.573 10 0 AFAERN CCc1onc(N)c1-c1cccs1 85278027 574024346 /nfs/dbraw/zinc/02/43/46/574024346.db2.gz QJEVGOWSDPXWFR-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN C[C@@]1(C(=O)CC2CCC2)CCCCO1 87761780 574024877 /nfs/dbraw/zinc/02/48/77/574024877.db2.gz UDCISKTZPFHNGE-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN Nc1cc(C2CCCCCC2)on1 85278455 574024414 /nfs/dbraw/zinc/02/44/14/574024414.db2.gz HZEVKKVLIWIAGN-UHFFFAOYSA-N 0 0 180.251 2.695 10 0 AFAERN CN[C@@]1(C(F)(F)F)CCC[C@H](C)C1 85276349 574024418 /nfs/dbraw/zinc/02/44/18/574024418.db2.gz VILBAVSUBGWRQJ-YUMQZZPRSA-N 0 0 195.228 2.717 10 0 AFAERN C[C@@H]1c2ccc(Cl)cc2CC[C@@H]1O 259280108 574024879 /nfs/dbraw/zinc/02/48/79/574024879.db2.gz MGJUIRMMKPEOFK-HQJQHLMTSA-N 0 0 196.677 2.751 10 0 AFAERN C/C=C\[C@H](O)CCC=C(C)C 223750578 574024484 /nfs/dbraw/zinc/02/44/84/574024484.db2.gz VESJQOWVYPNZRO-OAQKJQOQSA-N 0 0 154.253 2.670 10 0 AFAERN C[NH2+][C@H](C)c1c(F)cccc1Cl 104520817 574024516 /nfs/dbraw/zinc/02/45/16/574024516.db2.gz XYLZZRDYRVOJDP-ZCFIWIBFSA-N 0 0 187.645 2.760 10 0 AFAERN CCN[C@]1(C(F)(F)F)CCC[C@H]1C 85277051 574024563 /nfs/dbraw/zinc/02/45/63/574024563.db2.gz SANJBCOHDVJMEF-HTQZYQBOSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@@H]1CC[C@](NC)(C(F)(F)F)C1 85276300 574024572 /nfs/dbraw/zinc/02/45/72/574024572.db2.gz ZCENDXTWIUJFDF-HTQZYQBOSA-N 0 0 195.228 2.717 10 0 AFAERN Nc1cc(CCC2CCCCC2)on1 85278550 574024595 /nfs/dbraw/zinc/02/45/95/574024595.db2.gz WKYPNXYQUHYEEW-UHFFFAOYSA-N 0 0 194.278 2.770 10 0 AFAERN CCN[C@@H]([C@@H](C)CC)C(F)(F)F 85277281 574024607 /nfs/dbraw/zinc/02/46/07/574024607.db2.gz YAEPODOXLLZEJP-BQBZGAKWSA-N 0 0 183.217 2.573 10 0 AFAERN CC(C)(C)Sc1cccc(N)n1 87731982 574024672 /nfs/dbraw/zinc/02/46/72/574024672.db2.gz OLCUZNQUENGXBP-UHFFFAOYSA-N 0 0 182.292 2.554 10 0 AFAERN CCSCCC[C@H](CO)C(C)C 131813965 574024704 /nfs/dbraw/zinc/02/47/04/574024704.db2.gz RTWVAPQALLEPME-SNVBAGLBSA-N 0 0 190.352 2.784 10 0 AFAERN Cc1ccc(-c2onc(N)c2C)s1 85278327 574024721 /nfs/dbraw/zinc/02/47/21/574024721.db2.gz LEAOZVVATUFZHW-UHFFFAOYSA-N 0 0 194.259 2.602 10 0 AFAERN CCC(CC)C(=O)[C@]1(C)CCCCO1 87761799 574024727 /nfs/dbraw/zinc/02/47/27/574024727.db2.gz IAVGKESORUDZND-LBPRGKRZSA-N 0 0 198.306 2.951 10 0 AFAERN Nc1cccc(SC2CCCC2)n1 87732105 574024754 /nfs/dbraw/zinc/02/47/54/574024754.db2.gz HUOWLSCEQFJSAI-UHFFFAOYSA-N 0 0 194.303 2.699 10 0 AFAERN Cc1c(N)noc1CC1CCCCC1 85278217 574024766 /nfs/dbraw/zinc/02/47/66/574024766.db2.gz SLNJUFANWMGLRT-UHFFFAOYSA-N 0 0 194.278 2.688 10 0 AFAERN CCN[C@]1(C(F)(F)F)CCC[C@@H]1C 85277047 574024788 /nfs/dbraw/zinc/02/47/88/574024788.db2.gz SANJBCOHDVJMEF-JGVFFNPUSA-N 0 0 195.228 2.717 10 0 AFAERN CN[C@]1(C(F)(F)F)CCCC[C@@H]1C 85276293 574024793 /nfs/dbraw/zinc/02/47/93/574024793.db2.gz KCLLORJGGPITEU-JGVFFNPUSA-N 0 0 195.228 2.717 10 0 AFAERN CC1(C)CC[C@H](Nn2cccc2)C1 87772322 574027478 /nfs/dbraw/zinc/02/74/78/574027478.db2.gz DHXKXHSHPGNVOX-JTQLQIEISA-N 0 0 178.279 2.610 10 0 AFAERN CC[C@H](C)[C@@]1(O)CCC(C)(C)C1 87773046 574027488 /nfs/dbraw/zinc/02/74/88/574027488.db2.gz JZGVJOMMYYSMKP-GXSJLCMTSA-N 0 0 170.296 2.974 10 0 AFAERN Cc1cc(N)n([C@H]2CCC(C)(C)C2)n1 87772450 574027500 /nfs/dbraw/zinc/02/75/00/574027500.db2.gz WSBMDQBYPHGCNR-VIFPVBQESA-N 0 0 193.294 2.525 10 0 AFAERN Cc1c(N)noc1C1CCCCC1 85278244 574025719 /nfs/dbraw/zinc/02/57/19/574025719.db2.gz KTFMZLJVTSXRMJ-UHFFFAOYSA-N 0 0 180.251 2.613 10 0 AFAERN CCC(CC)C[C@@H](O)C[C@@H](C)OC 128165641 574025728 /nfs/dbraw/zinc/02/57/28/574025728.db2.gz XBDBTXFBIRHOLX-KOLCDFICSA-N 0 0 188.311 2.599 10 0 AFAERN C[C@@]1(C(=O)C2CCCC2)CCCCO1 87761483 574025732 /nfs/dbraw/zinc/02/57/32/574025732.db2.gz AYIBMCFNQYBVMP-LBPRGKRZSA-N 0 0 196.290 2.705 10 0 AFAERN CCC[C@@H](CO)CCCSC 131812633 574025787 /nfs/dbraw/zinc/02/57/87/574025787.db2.gz UHOAIKRCAVSXIZ-SECBINFHSA-N 0 0 176.325 2.538 10 0 AFAERN CCCCOCC[C@@H]1CCCCC1=O 49263201 574025794 /nfs/dbraw/zinc/02/57/94/574025794.db2.gz PPICYWCRBOXILE-NSHDSACASA-N 0 0 198.306 2.953 10 0 AFAERN CC(C)(C)C(=O)[C@]1(C)CCCCO1 87761446 574025814 /nfs/dbraw/zinc/02/58/14/574025814.db2.gz ZQWAXTHOUBNHMY-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CCSCC[C@H](CO)CC(C)C 131810704 574027519 /nfs/dbraw/zinc/02/75/19/574027519.db2.gz VCJWVEXGSVFJCC-JTQLQIEISA-N 0 0 190.352 2.784 10 0 AFAERN CC[C@@H](C)Sc1cccc(N)n1 87731978 574025857 /nfs/dbraw/zinc/02/58/57/574025857.db2.gz APEYRWRWICENEU-SSDOTTSWSA-N 0 0 182.292 2.554 10 0 AFAERN CC[C@@H](C)C(=O)[C@]1(C)CCCCO1 87761766 574025866 /nfs/dbraw/zinc/02/58/66/574025866.db2.gz UIQOTVVAIJVFQC-KOLCDFICSA-N 0 0 184.279 2.561 10 0 AFAERN CCSCC[C@@](C)(CC)CO 131809265 574027524 /nfs/dbraw/zinc/02/75/24/574027524.db2.gz BGWBJTKHHSLLDV-SECBINFHSA-N 0 0 176.325 2.538 10 0 AFAERN CC[C@@H]1CC[C@@](NC)(C(F)(F)F)C1 85276304 574025868 /nfs/dbraw/zinc/02/58/68/574025868.db2.gz ZCENDXTWIUJFDF-SFYZADRCSA-N 0 0 195.228 2.717 10 0 AFAERN CSc1ccc(NCCF)cc1 87774586 574028941 /nfs/dbraw/zinc/02/89/41/574028941.db2.gz NAKIKHSKANKRFD-UHFFFAOYSA-N 0 0 185.267 2.790 10 0 AFAERN C[C@]1(C(=O)CC2CCC2)CCCCO1 87761778 574025979 /nfs/dbraw/zinc/02/59/79/574025979.db2.gz UDCISKTZPFHNGE-GFCCVEGCSA-N 0 0 196.290 2.705 10 0 AFAERN C[C@@H]1c2ccc(Cl)cc2CC[C@H]1O 259280114 574026012 /nfs/dbraw/zinc/02/60/12/574026012.db2.gz MGJUIRMMKPEOFK-RDDDGLTNSA-N 0 0 196.677 2.751 10 0 AFAERN CCC(CC)C[C@@H](O)C[C@H](C)OC 128166107 574026013 /nfs/dbraw/zinc/02/60/13/574026013.db2.gz XBDBTXFBIRHOLX-ONGXEEELSA-N 0 0 188.311 2.599 10 0 AFAERN CC[C@H]1CC[C@](NC)(C(F)(F)F)C1 85276302 574026020 /nfs/dbraw/zinc/02/60/20/574026020.db2.gz ZCENDXTWIUJFDF-JGVFFNPUSA-N 0 0 195.228 2.717 10 0 AFAERN CCCCOCC[C@H](CC)C(C)=O 49263193 574026053 /nfs/dbraw/zinc/02/60/53/574026053.db2.gz PUYMDXARTYQIMN-NSHDSACASA-N 0 0 186.295 2.808 10 0 AFAERN CCCCOCCCC(=O)CCC 49263172 574026063 /nfs/dbraw/zinc/02/60/63/574026063.db2.gz JWUYYKLRZURCJO-UHFFFAOYSA-N 0 0 186.295 2.953 10 0 AFAERN CCC[C@@H](CO)CCCSCC 131812139 574026081 /nfs/dbraw/zinc/02/60/81/574026081.db2.gz RCAAORRUGBWXST-SNVBAGLBSA-N 0 0 190.352 2.928 10 0 AFAERN CCc1ccc(NCCF)cc1 87774656 574028944 /nfs/dbraw/zinc/02/89/44/574028944.db2.gz FDWFBAHCMTYZJF-UHFFFAOYSA-N 0 0 167.227 2.630 10 0 AFAERN CC[C@H](C)C(=O)[C@@]1(C)CCCCO1 87761772 574026132 /nfs/dbraw/zinc/02/61/32/574026132.db2.gz UIQOTVVAIJVFQC-GXSJLCMTSA-N 0 0 184.279 2.561 10 0 AFAERN CCCCOCCCC(=O)CC 49263178 574026175 /nfs/dbraw/zinc/02/61/75/574026175.db2.gz VDZUQJCESYXVSP-UHFFFAOYSA-N 0 0 172.268 2.562 10 0 AFAERN Cc1cnn([C@H]2CCC(C)(C)C2)c1N 87772448 574027536 /nfs/dbraw/zinc/02/75/36/574027536.db2.gz SPDQWVYDRHICBZ-VIFPVBQESA-N 0 0 193.294 2.525 10 0 AFAERN CC[C@@H](C)C(=O)[C@@]1(C)CCCCO1 87761770 574026431 /nfs/dbraw/zinc/02/64/31/574026431.db2.gz UIQOTVVAIJVFQC-MWLCHTKSSA-N 0 0 184.279 2.561 10 0 AFAERN CCSCCC[C@H](CC)CO 131815410 574026507 /nfs/dbraw/zinc/02/65/07/574026507.db2.gz RZYLWTUNISFEPW-VIFPVBQESA-N 0 0 176.325 2.538 10 0 AFAERN CC(C)OCC[C@@H]1CCCCC1=O 49260269 574026524 /nfs/dbraw/zinc/02/65/24/574026524.db2.gz DSXQUYAGMXWKJT-JTQLQIEISA-N 0 0 184.279 2.561 10 0 AFAERN CC(C)Cc1c(N)noc1[C@@H]1C[C@@H]1C 85278936 574026563 /nfs/dbraw/zinc/02/65/63/574026563.db2.gz JWEOTIUHQJCQNS-JGVFFNPUSA-N 0 0 194.278 2.579 10 0 AFAERN CC(C)CC(=O)[C@@]1(C)CCCCO1 87761454 574026631 /nfs/dbraw/zinc/02/66/31/574026631.db2.gz OHTSADYMEGYORV-LLVKDONJSA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@H](C)C(=O)[C@]1(C)CCCCO1 87761768 574026668 /nfs/dbraw/zinc/02/66/68/574026668.db2.gz UIQOTVVAIJVFQC-ONGXEEELSA-N 0 0 184.279 2.561 10 0 AFAERN CCc1c(N)noc1CC1CCCC1 85278766 574026680 /nfs/dbraw/zinc/02/66/80/574026680.db2.gz PKNQZRJOJLXKLR-UHFFFAOYSA-N 0 0 194.278 2.552 10 0 AFAERN CC(C)Cc1c(N)noc1[C@H]1C[C@H]1C 85278930 574026693 /nfs/dbraw/zinc/02/66/93/574026693.db2.gz JWEOTIUHQJCQNS-SFYZADRCSA-N 0 0 194.278 2.579 10 0 AFAERN C[C@H]1c2ccc(Cl)cc2CC[C@H]1O 259280119 574026752 /nfs/dbraw/zinc/02/67/52/574026752.db2.gz MGJUIRMMKPEOFK-WRWORJQWSA-N 0 0 196.677 2.751 10 0 AFAERN CCCCOCCCC(=O)C(C)C 49263181 574026761 /nfs/dbraw/zinc/02/67/61/574026761.db2.gz LQIUSBIOIUULBJ-UHFFFAOYSA-N 0 0 186.295 2.808 10 0 AFAERN CCc1c(N)noc1[C@@H](C)C(C)C 85278878 574026820 /nfs/dbraw/zinc/02/68/20/574026820.db2.gz CIKSHQPBWLBCEQ-ZETCQYMHSA-N 0 0 182.267 2.579 10 0 AFAERN CCC[C@@H](C)c1onc(N)c1CC 85278802 574026825 /nfs/dbraw/zinc/02/68/25/574026825.db2.gz XLSGAZGVECHLSU-SSDOTTSWSA-N 0 0 182.267 2.723 10 0 AFAERN CCc1c(N)noc1-c1cccs1 85278723 574027008 /nfs/dbraw/zinc/02/70/08/574027008.db2.gz CGRKRZAVDVYCHA-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CCCCCC[C@@H](C)N1CCC(=O)C1 49216539 574027023 /nfs/dbraw/zinc/02/70/23/574027023.db2.gz CUYBYVCDYUGQEF-LLVKDONJSA-N 0 0 197.322 2.620 10 0 AFAERN CCc1c(N)noc1[C@H](C)C(C)C 85278879 574027025 /nfs/dbraw/zinc/02/70/25/574027025.db2.gz CIKSHQPBWLBCEQ-SSDOTTSWSA-N 0 0 182.267 2.579 10 0 AFAERN CC(C)Cc1c(N)noc1C(C)C 85278988 574027046 /nfs/dbraw/zinc/02/70/46/574027046.db2.gz YQSQSRIIELBACF-UHFFFAOYSA-N 0 0 182.267 2.579 10 0 AFAERN CCCCCC[C@H](C)N1CCC(=O)C1 49216542 574027096 /nfs/dbraw/zinc/02/70/96/574027096.db2.gz CUYBYVCDYUGQEF-NSHDSACASA-N 0 0 197.322 2.620 10 0 AFAERN CCc1c(N)noc1-c1ccsc1 85278876 574027127 /nfs/dbraw/zinc/02/71/27/574027127.db2.gz LFLSEJRBEIUTNA-UHFFFAOYSA-N 0 0 194.259 2.548 10 0 AFAERN CC(C)[C@H](O)[C@@H]1CCC(C)(C)C1 87770896 574027204 /nfs/dbraw/zinc/02/72/04/574027204.db2.gz TVHGTKZFBNQKDT-ZJUUUORDSA-N 0 0 170.296 2.830 10 0 AFAERN CC[C@H](C)[C@]1(O)CCC(C)(C)C1 87773044 574027355 /nfs/dbraw/zinc/02/73/55/574027355.db2.gz JZGVJOMMYYSMKP-ONGXEEELSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1c(N)noc1C1CCCCC1 85278785 574027357 /nfs/dbraw/zinc/02/73/57/574027357.db2.gz ZEXLNKSVQUPYKO-UHFFFAOYSA-N 0 0 194.278 2.867 10 0 AFAERN CSCCC[C@@H](CO)CC(C)C 131810274 574027438 /nfs/dbraw/zinc/02/74/38/574027438.db2.gz HSVZZTIPRHDSJC-SNVBAGLBSA-N 0 0 190.352 2.784 10 0 AFAERN Cc1ccc(F)c(NCCF)c1 87774699 574028991 /nfs/dbraw/zinc/02/89/91/574028991.db2.gz MYXVWQPTRUGFMW-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN CC(C)=C[C@]1(O)CCC(C)(C)C1 87773328 574028874 /nfs/dbraw/zinc/02/88/74/574028874.db2.gz RVFAIDMVVYLYLK-LLVKDONJSA-N 0 0 168.280 2.894 10 0 AFAERN OCC1(SC2CCCC2)CCC1 259285099 574028883 /nfs/dbraw/zinc/02/88/83/574028883.db2.gz SBUDCDUQQPCBRG-UHFFFAOYSA-N 0 0 186.320 2.577 10 0 AFAERN CC(C)[C@@H](O)[C@@H]1CCC(C)(C)C1 87770899 574028511 /nfs/dbraw/zinc/02/85/11/574028511.db2.gz TVHGTKZFBNQKDT-NXEZZACHSA-N 0 0 170.296 2.830 10 0 AFAERN CC(C)Cc1c(N)noc1[C@@H]1C[C@H]1C 85278934 574028550 /nfs/dbraw/zinc/02/85/50/574028550.db2.gz JWEOTIUHQJCQNS-HTQZYQBOSA-N 0 0 194.278 2.579 10 0 AFAERN CC(C)Cc1c(N)noc1C(C)(C)C 85278974 574028558 /nfs/dbraw/zinc/02/85/58/574028558.db2.gz DDMJVZMMELVEOI-UHFFFAOYSA-N 0 0 196.294 2.753 10 0 AFAERN O=C(C[C@@H]1CC[C@@H]2C[C@H]12)c1ccco1 716946936 574028583 /nfs/dbraw/zinc/02/85/83/574028583.db2.gz ZRFFXQFUWDJXQS-UTLUCORTSA-N 0 0 190.242 2.899 10 0 AFAERN CC(C)Cc1c(N)noc1C1CCC1 85278924 574028600 /nfs/dbraw/zinc/02/86/00/574028600.db2.gz NWVJRHIKLCTMGN-UHFFFAOYSA-N 0 0 194.278 2.723 10 0 AFAERN CCc1ccccc1NCCF 87774658 574028656 /nfs/dbraw/zinc/02/86/56/574028656.db2.gz PZHDEYFMDLAPBM-UHFFFAOYSA-N 0 0 167.227 2.630 10 0 AFAERN Cc1cc(C)cc(NCCF)c1 87774653 574028664 /nfs/dbraw/zinc/02/86/64/574028664.db2.gz DXXRNNILESETNT-UHFFFAOYSA-N 0 0 167.227 2.685 10 0 AFAERN CC(C)C[C@@]1(O)CCC(C)(C)C1 87773113 574028715 /nfs/dbraw/zinc/02/87/15/574028715.db2.gz HHBKINFOEJGEJD-NSHDSACASA-N 0 0 170.296 2.974 10 0 AFAERN Cc1ccc(NCCF)c(C)c1 87774539 574028922 /nfs/dbraw/zinc/02/89/22/574028922.db2.gz HPZSEYLPPNYTIR-UHFFFAOYSA-N 0 0 167.227 2.685 10 0 AFAERN CC(C)[C@@]1(O)CCC(C)(C)C1 87773227 574028766 /nfs/dbraw/zinc/02/87/66/574028766.db2.gz CNNWOBMKLWMDNF-SNVBAGLBSA-N 0 0 156.269 2.584 10 0 AFAERN CC1(C)CC[C@@](O)(c2ccoc2)C1 87773345 574028769 /nfs/dbraw/zinc/02/87/69/574028769.db2.gz LRNOHOCUTRRNNS-NSHDSACASA-N 0 0 180.247 2.677 10 0 AFAERN CCc1ccc([C@H]2NC[C@H](C)S2)o1 85301138 574028924 /nfs/dbraw/zinc/02/89/24/574028924.db2.gz QFHGMCUDIPHSDH-XVKPBYJWSA-N 0 0 197.303 2.566 10 0 AFAERN COc1cc(C)c(C(C)C)cc1C=O 111933980 574028827 /nfs/dbraw/zinc/02/88/27/574028827.db2.gz NUXKGMJTCHZLGA-UHFFFAOYSA-N 0 0 192.258 2.940 10 0 AFAERN O=C(C[C@@H]1CC[C@H]2C[C@@H]12)c1ccco1 716946935 574029006 /nfs/dbraw/zinc/02/90/06/574029006.db2.gz ZRFFXQFUWDJXQS-LPEHRKFASA-N 0 0 190.242 2.899 10 0 AFAERN C[C@H]1CN[C@H](c2ccccc2F)S1 85301721 574029996 /nfs/dbraw/zinc/02/99/96/574029996.db2.gz VWUXMHSWVQWKMN-XVKPBYJWSA-N 0 0 197.278 2.549 10 0 AFAERN CN[C@]1(C(F)(F)F)CCC(C)(C)C1 87773590 574029960 /nfs/dbraw/zinc/02/99/60/574029960.db2.gz XGNONOCNAMXSDL-MRVPVSSYSA-N 0 0 195.228 2.717 10 0 AFAERN Cc1ccc(NCCF)c(F)c1 87774695 574029966 /nfs/dbraw/zinc/02/99/66/574029966.db2.gz UHWPDNKPJZDVSZ-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN CSc1cccc(NCCF)c1 87774554 574029977 /nfs/dbraw/zinc/02/99/77/574029977.db2.gz WQVJWEFVXWDCCB-UHFFFAOYSA-N 0 0 185.267 2.790 10 0 AFAERN FCCNc1ccccc1Cl 87774641 574030063 /nfs/dbraw/zinc/03/00/63/574030063.db2.gz OGGVEXRJVFECLN-UHFFFAOYSA-N 0 0 173.618 2.721 10 0 AFAERN CC1(C)CC[C@](O)(C(C)(C)C)C1 87773340 574030113 /nfs/dbraw/zinc/03/01/13/574030113.db2.gz QMEIGHKMRKKASE-LLVKDONJSA-N 0 0 170.296 2.974 10 0 AFAERN C[C@H]1CN[C@@H](c2ccccc2F)S1 85301725 574030241 /nfs/dbraw/zinc/03/02/41/574030241.db2.gz VWUXMHSWVQWKMN-OIBJUYFYSA-N 0 0 197.278 2.549 10 0 AFAERN O=C1c2ccccc2CC[C@H]1CCF 87776212 574030317 /nfs/dbraw/zinc/03/03/17/574030317.db2.gz FZNLYIZCFZNDRH-JTQLQIEISA-N 0 0 192.233 2.791 10 0 AFAERN Cc1sc([C@H](C)O)nc1C1CCC1 259286559 574031461 /nfs/dbraw/zinc/03/14/61/574031461.db2.gz PRGGMIYOFJZVPL-LURJTMIESA-N 0 0 197.303 2.772 10 0 AFAERN Cc1cccc2c1NCC1(CCC1)O2 259390617 574030331 /nfs/dbraw/zinc/03/03/31/574030331.db2.gz WSNBKOGWHMXIAP-UHFFFAOYSA-N 0 0 189.258 2.722 10 0 AFAERN Cc1ccc(SCCF)c(N)c1 87775740 574030334 /nfs/dbraw/zinc/03/03/34/574030334.db2.gz FWMITWDIDRDCMJ-UHFFFAOYSA-N 0 0 185.267 2.639 10 0 AFAERN C[C@@H]1CN[C@H](c2ccccc2F)S1 85301718 574030467 /nfs/dbraw/zinc/03/04/67/574030467.db2.gz VWUXMHSWVQWKMN-XCBNKYQSSA-N 0 0 197.278 2.549 10 0 AFAERN FCCNc1cc(Cl)ccc1F 87774738 574030375 /nfs/dbraw/zinc/03/03/75/574030375.db2.gz NULMZFXOEJVVJX-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN Cc1cc(SCCF)ccc1N 87775775 574030404 /nfs/dbraw/zinc/03/04/04/574030404.db2.gz DVXVUCXQBXOIDZ-UHFFFAOYSA-N 0 0 185.267 2.639 10 0 AFAERN CCC(CC)C[C@H]1CCC[C@H]1O 128282541 574030419 /nfs/dbraw/zinc/03/04/19/574030419.db2.gz BZKFAHFZOACTDC-GHMZBOCLSA-N 0 0 170.296 2.974 10 0 AFAERN CCc1ccc([C@@H]2NC[C@H](C)S2)o1 85301135 574030528 /nfs/dbraw/zinc/03/05/28/574030528.db2.gz QFHGMCUDIPHSDH-OIBJUYFYSA-N 0 0 197.303 2.566 10 0 AFAERN Cc1cc(NCCF)ccc1F 87775115 574030561 /nfs/dbraw/zinc/03/05/61/574030561.db2.gz GXLIBPNQHSIMHB-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN CC[C@@H]1CCC(=O)[C@H](CCF)C1 87776221 574030615 /nfs/dbraw/zinc/03/06/15/574030615.db2.gz GVXFVSAOIQMCMH-RKDXNWHRSA-N 0 0 172.243 2.741 10 0 AFAERN Cc1cccc(C)c1NCCF 87775070 574030642 /nfs/dbraw/zinc/03/06/42/574030642.db2.gz PUCXGNXBZQRWSK-UHFFFAOYSA-N 0 0 167.227 2.685 10 0 AFAERN CCc1ccc([C@H]2NC[C@@H](C)S2)o1 85301142 574030703 /nfs/dbraw/zinc/03/07/03/574030703.db2.gz QFHGMCUDIPHSDH-XCBNKYQSSA-N 0 0 197.303 2.566 10 0 AFAERN CC(C)[C@H]1CCC(=O)[C@H](CCF)C1 87776239 574030807 /nfs/dbraw/zinc/03/08/07/574030807.db2.gz HEXJFXRAALYYSW-VHSXEESVSA-N 0 0 186.270 2.987 10 0 AFAERN Cc1cc(F)cc(NCCF)c1 87775357 574030871 /nfs/dbraw/zinc/03/08/71/574030871.db2.gz UCRLOQJVWQMZNB-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN Cc1ccc(N)c(SCCF)c1 87775774 574030885 /nfs/dbraw/zinc/03/08/85/574030885.db2.gz PZUMTPCJVWCLRP-UHFFFAOYSA-N 0 0 185.267 2.639 10 0 AFAERN CNc1cccc(N(C)C(C)C)c1 259285706 574030887 /nfs/dbraw/zinc/03/08/87/574030887.db2.gz ORBAWSOFZSUWRV-UHFFFAOYSA-N 0 0 178.279 2.573 10 0 AFAERN FCCNc1ccc(F)cc1Cl 87774713 574030909 /nfs/dbraw/zinc/03/09/09/574030909.db2.gz MKYXNFITTZBLAH-UHFFFAOYSA-N 0 0 191.608 2.861 10 0 AFAERN Cc1c(Cl)cccc1N(C)C#N 259285743 574030985 /nfs/dbraw/zinc/03/09/85/574030985.db2.gz OROGAGIKNFECHK-UHFFFAOYSA-N 0 0 180.638 2.566 10 0 AFAERN O=C1c2ccccc2CC[C@@H]1CCF 87776211 574030990 /nfs/dbraw/zinc/03/09/90/574030990.db2.gz FZNLYIZCFZNDRH-SNVBAGLBSA-N 0 0 192.233 2.791 10 0 AFAERN COc1csc(C2CCCC2)n1 259285429 574030994 /nfs/dbraw/zinc/03/09/94/574030994.db2.gz MIELEBMWFXHSJQ-UHFFFAOYSA-N 0 0 183.276 2.809 10 0 AFAERN Cc1sc([C@@H](C)O)nc1C1CCC1 259286561 574031018 /nfs/dbraw/zinc/03/10/18/574031018.db2.gz PRGGMIYOFJZVPL-ZCFIWIBFSA-N 0 0 197.303 2.772 10 0 AFAERN CC(C)[C@@H]1CCC(=O)[C@H](CCF)C1 87776238 574031034 /nfs/dbraw/zinc/03/10/34/574031034.db2.gz HEXJFXRAALYYSW-NXEZZACHSA-N 0 0 186.270 2.987 10 0 AFAERN CC[C@H]1CCC(=O)[C@H](CCF)C1 87776222 574031037 /nfs/dbraw/zinc/03/10/37/574031037.db2.gz GVXFVSAOIQMCMH-DTWKUNHWSA-N 0 0 172.243 2.741 10 0 AFAERN CCCc1ccc([C@H]([NH2+]C)OC)cc1 259286148 574031043 /nfs/dbraw/zinc/03/10/43/574031043.db2.gz PPWXFZKLSNGTBA-GFCCVEGCSA-N 0 0 193.290 2.504 10 0 AFAERN CCc1ccc([C@@H]2N[C@H](C)CS2)o1 85309601 574031052 /nfs/dbraw/zinc/03/10/52/574031052.db2.gz BLEAMWOXCUQMIM-GMSGAONNSA-N 0 0 197.303 2.566 10 0 AFAERN Cc1cc(N)ccc1SCCF 87775741 574031482 /nfs/dbraw/zinc/03/14/82/574031482.db2.gz ZTLOXOFSCGDTBC-UHFFFAOYSA-N 0 0 185.267 2.639 10 0 AFAERN CCCc1ccc([C@@H]([NH2+]C)OC)cc1 259286151 574031160 /nfs/dbraw/zinc/03/11/60/574031160.db2.gz PPWXFZKLSNGTBA-LBPRGKRZSA-N 0 0 193.290 2.504 10 0 AFAERN CC(C)=CNC(=S)c1ccccc1 143845488 574031206 /nfs/dbraw/zinc/03/12/06/574031206.db2.gz YEYNWDADKRFNGS-UHFFFAOYSA-N 0 0 191.299 2.875 10 0 AFAERN Cc1c(F)cccc1NCCF 87774987 574031278 /nfs/dbraw/zinc/03/12/78/574031278.db2.gz NEOXWLHFFWYXSW-UHFFFAOYSA-N 0 0 171.190 2.516 10 0 AFAERN CC1(C)CSc2ccc(N)cc2N1 259286519 574031288 /nfs/dbraw/zinc/03/12/88/574031288.db2.gz PVEDTFKMDAKCSC-UHFFFAOYSA-N 0 0 194.303 2.565 10 0 AFAERN Cc1c(N)cccc1SCCF 87775777 574031385 /nfs/dbraw/zinc/03/13/85/574031385.db2.gz RMWMAEXBPQVPMU-UHFFFAOYSA-N 0 0 185.267 2.639 10 0 AFAERN C[C@@H]1CS[C@H](c2ccccc2F)N1 85309956 574031447 /nfs/dbraw/zinc/03/14/47/574031447.db2.gz WBTVXUOONQPXOU-GMSGAONNSA-N 0 0 197.278 2.549 10 0 AFAERN C[C@@H]1CCS[C@@H](c2cccs2)N1 85318598 574035170 /nfs/dbraw/zinc/03/51/70/574035170.db2.gz HGXADCKSDJVTJA-APPZFPTMSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@H]1CCS[C@@H](c2ccccc2)N1 85318783 574035107 /nfs/dbraw/zinc/03/51/07/574035107.db2.gz NDNQJKWJPWUXGM-ONGXEEELSA-N 0 0 193.315 2.800 10 0 AFAERN Cc1ccc([C@@H]2N[C@H](C)CCS2)o1 85318848 574034846 /nfs/dbraw/zinc/03/48/46/574034846.db2.gz LPJWCZMIILUAIZ-GMSGAONNSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccc([C@H]2N[C@@H](C)CCS2)o1 85318851 574034931 /nfs/dbraw/zinc/03/49/31/574034931.db2.gz LPJWCZMIILUAIZ-XVKPBYJWSA-N 0 0 197.303 2.702 10 0 AFAERN C[C@H]1CCS[C@H](c2cccs2)N1 85318597 574034967 /nfs/dbraw/zinc/03/49/67/574034967.db2.gz HGXADCKSDJVTJA-IONNQARKSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@@H]1CCS[C@H](c2ccsc2)N1 85318548 574035339 /nfs/dbraw/zinc/03/53/39/574035339.db2.gz IQAAYXVOVSDPPZ-VXNVDRBHSA-N 0 0 199.344 2.862 10 0 AFAERN CC(C)N(C)c1ccc(F)cc1 197904095 574035378 /nfs/dbraw/zinc/03/53/78/574035378.db2.gz BRPOAOCIOKRVDW-UHFFFAOYSA-N 0 0 167.227 2.670 10 0 AFAERN CCc1nc(Cl)c2n1CCC[C@H]2C 258469377 574035732 /nfs/dbraw/zinc/03/57/32/574035732.db2.gz YEVIUQMOTNCZAS-SSDOTTSWSA-N 0 0 198.697 2.996 10 0 AFAERN C[C@@](O)(C1=CCCCC1)c1ccoc1 197919308 574035855 /nfs/dbraw/zinc/03/58/55/574035855.db2.gz LEIOMBWMMPSFAD-GFCCVEGCSA-N 0 0 192.258 2.988 10 0 AFAERN Cc1ccc([C@H](O)[C@H]2C[C@@H]2C)cc1F 223798373 574035948 /nfs/dbraw/zinc/03/59/48/574035948.db2.gz PXLIADDVOIKKRI-PEXQALLHSA-N 0 0 194.249 2.824 10 0 AFAERN Cc1ccc([C@H](O)[C@@H]2C[C@@H]2C)cc1F 223798268 574036142 /nfs/dbraw/zinc/03/61/42/574036142.db2.gz PXLIADDVOIKKRI-XRNSZHNASA-N 0 0 194.249 2.824 10 0 AFAERN CCc1nc(Cl)c2n1CCC[C@@H]2C 258469380 574036193 /nfs/dbraw/zinc/03/61/93/574036193.db2.gz YEVIUQMOTNCZAS-ZETCQYMHSA-N 0 0 198.697 2.996 10 0 AFAERN Cc1nc2cc(-c3cc[nH]n3)ccc2o1 259290278 574036251 /nfs/dbraw/zinc/03/62/51/574036251.db2.gz PZVCXXPLPLVJEV-UHFFFAOYSA-N 0 0 199.213 2.526 10 0 AFAERN C[C@H]1CN[C@H](c2cccs2)SC1 85337144 574037265 /nfs/dbraw/zinc/03/72/65/574037265.db2.gz XXKSHBJOZFMBQF-CBAPKCEASA-N 0 0 199.344 2.719 10 0 AFAERN CN[C@H](CC1=CCCCC1)C(F)F 686240728 574037320 /nfs/dbraw/zinc/03/73/20/574037320.db2.gz PKYHFOPTVUROOW-SECBINFHSA-N 0 0 189.249 2.730 10 0 AFAERN C[C@@H]1CN[C@H](c2ccccc2)SC1 85338248 574037338 /nfs/dbraw/zinc/03/73/38/574037338.db2.gz NXUZCHWEOIYHKT-KOLCDFICSA-N 0 0 193.315 2.658 10 0 AFAERN OC1(c2cc3sccc3s2)CC1 87795239 574037409 /nfs/dbraw/zinc/03/74/09/574037409.db2.gz MCULWGMMGYKQAT-UHFFFAOYSA-N 0 0 196.296 2.944 10 0 AFAERN C[C@H]1CN[C@H](c2ccsc2)SC1 85338031 574037467 /nfs/dbraw/zinc/03/74/67/574037467.db2.gz WNUKXRJWQNITDM-CBAPKCEASA-N 0 0 199.344 2.719 10 0 AFAERN C[C@H]1CN[C@@H](c2ccccc2)SC1 85338256 574037627 /nfs/dbraw/zinc/03/76/27/574037627.db2.gz NXUZCHWEOIYHKT-GXSJLCMTSA-N 0 0 193.315 2.658 10 0 AFAERN CN[C@@H](CC1=CCCCC1)C(F)F 686240729 574037662 /nfs/dbraw/zinc/03/76/62/574037662.db2.gz PKYHFOPTVUROOW-VIFPVBQESA-N 0 0 189.249 2.730 10 0 AFAERN Cc1ccc([C@H]2NC[C@@H](C)CS2)o1 85338471 574038183 /nfs/dbraw/zinc/03/81/83/574038183.db2.gz HJYLQGQJLZHKQA-XCBNKYQSSA-N 0 0 197.303 2.559 10 0 AFAERN C[C@H]1CCN[C@@H](c2ccsc2)S1 85342077 574037793 /nfs/dbraw/zinc/03/77/93/574037793.db2.gz OZBKRDNHTLSOTQ-IONNQARKSA-N 0 0 199.344 2.862 10 0 AFAERN COc1cc(N)cc(SC(C)C)c1 87797286 574037821 /nfs/dbraw/zinc/03/78/21/574037821.db2.gz WTQKXXWZHOEZIT-UHFFFAOYSA-N 0 0 197.303 2.778 10 0 AFAERN C[C@@H]1CN[C@@H](c2ccccc2)SC1 85338255 574037846 /nfs/dbraw/zinc/03/78/46/574037846.db2.gz NXUZCHWEOIYHKT-MWLCHTKSSA-N 0 0 193.315 2.658 10 0 AFAERN Cc1ccc([C@H]2NC[C@H](C)CS2)o1 85338465 574037859 /nfs/dbraw/zinc/03/78/59/574037859.db2.gz HJYLQGQJLZHKQA-XVKPBYJWSA-N 0 0 197.303 2.559 10 0 AFAERN CSc1cc(N)cc(OC(C)C)c1 87797296 574037877 /nfs/dbraw/zinc/03/78/77/574037877.db2.gz WCRASWWWAPGLDS-UHFFFAOYSA-N 0 0 197.303 2.778 10 0 AFAERN C[C@@H]1CCN[C@@H](c2cccs2)S1 85342168 574037889 /nfs/dbraw/zinc/03/78/89/574037889.db2.gz QAQULENBQAAUDX-VXNVDRBHSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@H]1CCN[C@H](c2cccs2)S1 85342166 574038066 /nfs/dbraw/zinc/03/80/66/574038066.db2.gz QAQULENBQAAUDX-CBAPKCEASA-N 0 0 199.344 2.862 10 0 AFAERN C[C@@]1(Cn2cccc2)CCCS1 87794037 574038104 /nfs/dbraw/zinc/03/81/04/574038104.db2.gz WUJRUZRYPWIBAO-JTQLQIEISA-N 0 0 181.304 2.774 10 0 AFAERN CC(C)[C@@H](C)Oc1cc(N)cc(F)c1 87800357 574038254 /nfs/dbraw/zinc/03/82/54/574038254.db2.gz OPOXKRYIACJSAT-MRVPVSSYSA-N 0 0 197.253 2.831 10 0 AFAERN CC(C)=CCOCCCCCCO 215518081 574038138 /nfs/dbraw/zinc/03/81/38/574038138.db2.gz LKYCPCRHIBOMEF-UHFFFAOYSA-N 0 0 186.295 2.522 10 0 AFAERN C[C@]1(Cn2cccc2)CCCS1 87794036 574038139 /nfs/dbraw/zinc/03/81/39/574038139.db2.gz WUJRUZRYPWIBAO-SNVBAGLBSA-N 0 0 181.304 2.774 10 0 AFAERN C[C@@H]1CCN[C@H](c2ccsc2)S1 85342072 574038163 /nfs/dbraw/zinc/03/81/63/574038163.db2.gz OZBKRDNHTLSOTQ-APPZFPTMSA-N 0 0 199.344 2.862 10 0 AFAERN C[C@@H]1CN[C@H](c2cccs2)SC1 85337142 574038211 /nfs/dbraw/zinc/03/82/11/574038211.db2.gz XXKSHBJOZFMBQF-APPZFPTMSA-N 0 0 199.344 2.719 10 0 AFAERN Cc1cc(F)cc(-c2cnco2)c1 224061169 574040064 /nfs/dbraw/zinc/04/00/64/574040064.db2.gz AIPUMSTTYXXDOS-UHFFFAOYSA-N 0 0 177.178 2.789 10 0 AFAERN CC(=O)c1nc(C)c(C2CCCC2)[nH]1 258468223 574041092 /nfs/dbraw/zinc/04/10/92/574041092.db2.gz AERNPOHYIJAKIE-UHFFFAOYSA-N 0 0 192.262 2.578 10 0 AFAERN CC[C@H]1CS[C@H](c2cccs2)[NH2+]1 85347203 574040169 /nfs/dbraw/zinc/04/01/69/574040169.db2.gz OSMUYMHVAQVNIR-IONNQARKSA-N 0 0 199.344 2.862 10 0 AFAERN CC[C@H]1CS[C@@H](c2ccc(C)o2)N1 85347458 574040205 /nfs/dbraw/zinc/04/02/05/574040205.db2.gz BMBBEAYCNJAMDC-WPRPVWTQSA-N 0 0 197.303 2.702 10 0 AFAERN Cc1ccc([C@H]2NCC[C@H](C)S2)o1 85342651 574040317 /nfs/dbraw/zinc/04/03/17/574040317.db2.gz XSAVKVDXXXLNMJ-WPRPVWTQSA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@H]1CS[C@H](c2ccsc2)[NH2+]1 85347155 574040367 /nfs/dbraw/zinc/04/03/67/574040367.db2.gz DXAOJEBYUCIXND-DTWKUNHWSA-N 0 0 199.344 2.862 10 0 AFAERN CC(C)CCO[C@H]1CCCC(=O)C1 85344310 574040396 /nfs/dbraw/zinc/04/03/96/574040396.db2.gz SLCYUJDCFBNJSI-NSHDSACASA-N 0 0 184.279 2.561 10 0 AFAERN CC[C@@H]1CS[C@@H](c2ccc(C)o2)N1 85347457 574040518 /nfs/dbraw/zinc/04/05/18/574040518.db2.gz BMBBEAYCNJAMDC-SCZZXKLOSA-N 0 0 197.303 2.702 10 0 AFAERN C[C@@H]1CCN[C@H](c2ccccc2)S1 85342509 574040553 /nfs/dbraw/zinc/04/05/53/574040553.db2.gz ZBQYUMCPDNWRSP-KOLCDFICSA-N 0 0 193.315 2.800 10 0 AFAERN C[C@H]1CCN[C@@H](c2ccccc2)S1 85342515 574040673 /nfs/dbraw/zinc/04/06/73/574040673.db2.gz ZBQYUMCPDNWRSP-GXSJLCMTSA-N 0 0 193.315 2.800 10 0 AFAERN CNSc1c(C)cc(C)cc1C 259295601 574040696 /nfs/dbraw/zinc/04/06/96/574040696.db2.gz TWKOWOAZALSIRP-UHFFFAOYSA-N 0 0 181.304 2.838 10 0 AFAERN C[C@H]1CNc2c(Cl)cccc2O1 259294423 574040793 /nfs/dbraw/zinc/04/07/93/574040793.db2.gz QJOLYXKWTWTXFP-LURJTMIESA-N 0 0 183.638 2.533 10 0 AFAERN Cc1ccc([C@H]2NCC[C@@H](C)S2)o1 85342654 574040835 /nfs/dbraw/zinc/04/08/35/574040835.db2.gz XSAVKVDXXXLNMJ-SCZZXKLOSA-N 0 0 197.303 2.702 10 0 AFAERN CC[C@@H]1CS[C@H](c2cccs2)[NH2+]1 85347202 574040868 /nfs/dbraw/zinc/04/08/68/574040868.db2.gz OSMUYMHVAQVNIR-VXNVDRBHSA-N 0 0 199.344 2.862 10 0 AFAERN CC[C@H]1CS[C@H](c2ccc(C)o2)N1 85347456 574040875 /nfs/dbraw/zinc/04/08/75/574040875.db2.gz BMBBEAYCNJAMDC-WCBMZHEXSA-N 0 0 197.303 2.702 10 0 AFAERN CC1(C)C(=O)CCc2cccc(F)c21 259295523 574040877 /nfs/dbraw/zinc/04/08/77/574040877.db2.gz MYJXYWIPQNDJRX-UHFFFAOYSA-N 0 0 192.233 2.619 10 0 AFAERN CC[C@@H]1CS[C@@H](c2ccsc2)[NH2+]1 85347156 574040886 /nfs/dbraw/zinc/04/08/86/574040886.db2.gz DXAOJEBYUCIXND-BDAKNGLRSA-N 0 0 199.344 2.862 10 0 AFAERN Cc1cc(C)c(SC=O)c(C)c1 259297697 574043195 /nfs/dbraw/zinc/04/31/95/574043195.db2.gz TXHOUZSVYHGPPP-UHFFFAOYSA-N 0 0 180.272 2.894 10 0 AFAERN Cc1ccc([C@@H]2NC(C)(C)CS2)o1 85349843 574042739 /nfs/dbraw/zinc/04/27/39/574042739.db2.gz JMHOIKIDHUOMJQ-SECBINFHSA-N 0 0 197.303 2.702 10 0 AFAERN C[C@@H]1CNc2c(Cl)cccc2O1 259294424 574042962 /nfs/dbraw/zinc/04/29/62/574042962.db2.gz QJOLYXKWTWTXFP-ZCFIWIBFSA-N 0 0 183.638 2.533 10 0 AFAERN C[C@H]1CCCc2ccccc2N1 113238789 574046775 /nfs/dbraw/zinc/04/67/75/574046775.db2.gz KKNWFGDTOHEMNO-VIFPVBQESA-N 0 0 161.248 2.823 10 0 AFAERN Cc1coc2cc(F)ccc12 113248350 574046930 /nfs/dbraw/zinc/04/69/30/574046930.db2.gz LOZVPCUKQLYCPH-UHFFFAOYSA-N 0 0 150.152 2.880 10 0 AFAERN CCc1cccc2c1O[C@@H](CC)C2=O 113208625 574046949 /nfs/dbraw/zinc/04/69/49/574046949.db2.gz WXJKUVLARXGKJH-JTQLQIEISA-N 0 0 190.242 2.603 10 0 AFAERN [NH3+][C@H](C[C@@H]1CC[C@@H]2C[C@H]12)c1ccoc1 716992862 574045180 /nfs/dbraw/zinc/04/51/80/574045180.db2.gz PKJMTPSUEXJZKF-LLHIFLOGSA-N 0 0 191.274 2.716 10 0 AFAERN CCCCCC=CC=O 113183387 574047081 /nfs/dbraw/zinc/04/70/81/574047081.db2.gz HZYABSBSRWFZEG-BSWSSELBSA-N 0 0 126.199 2.805 10 0 AFAERN CCC(C)(C)Oc1cccc(NC)n1 87840411 574045261 /nfs/dbraw/zinc/04/52/61/574045261.db2.gz PCPWXCFPJAPWGS-UHFFFAOYSA-N 0 0 194.278 2.691 10 0 AFAERN CO/C=C/c1ccc(Cl)cc1C=O 113086957 574045367 /nfs/dbraw/zinc/04/53/67/574045367.db2.gz AZLAMZABELRZCD-SNAWJCMRSA-N 0 0 196.633 2.770 10 0 AFAERN CC(C)c1ccc(F)cc1C=O 113079771 574045383 /nfs/dbraw/zinc/04/53/83/574045383.db2.gz OZAMPCGXIIXHJX-UHFFFAOYSA-N 0 0 166.195 2.762 10 0 AFAERN COSc1ccc(F)cc1C 259299676 574045417 /nfs/dbraw/zinc/04/54/17/574045417.db2.gz UDKVUHILENWHCM-UHFFFAOYSA-N 0 0 172.224 2.788 10 0 AFAERN CC[C@H](C)c1cc(O)ccc1O 113170461 574045592 /nfs/dbraw/zinc/04/55/92/574045592.db2.gz FVUAMBRGAQSGFR-ZETCQYMHSA-N 0 0 166.220 2.611 10 0 AFAERN CC(C)(O)Sc1ccc(F)cc1 259299606 574045628 /nfs/dbraw/zinc/04/56/28/574045628.db2.gz UDDCWKWWJKHXHL-UHFFFAOYSA-N 0 0 186.251 2.646 10 0 AFAERN CC1=NCCSc2ccccc21 197955605 574046787 /nfs/dbraw/zinc/04/67/87/574046787.db2.gz KWCPUPKBKKVDSU-UHFFFAOYSA-N 0 0 177.272 2.601 10 0 AFAERN C[C@@H]1CCCc2ccccc2N1 113238787 574046794 /nfs/dbraw/zinc/04/67/94/574046794.db2.gz KKNWFGDTOHEMNO-SECBINFHSA-N 0 0 161.248 2.823 10 0 AFAERN CCNc1cccc(OC(C)(C)C)n1 87840281 574046106 /nfs/dbraw/zinc/04/61/06/574046106.db2.gz VDSHAPWJTWYMNZ-UHFFFAOYSA-N 0 0 194.278 2.691 10 0 AFAERN CC[C@]12CC[C@H](CC1=O)C2(C)C 113141558 574046175 /nfs/dbraw/zinc/04/61/75/574046175.db2.gz CLWLASGSYJVYJA-KCJUWKMLSA-N 0 0 166.264 2.792 10 0 AFAERN CC[C@@H](C)c1cc(O)ccc1O 113170459 574046340 /nfs/dbraw/zinc/04/63/40/574046340.db2.gz FVUAMBRGAQSGFR-SSDOTTSWSA-N 0 0 166.220 2.611 10 0 AFAERN Cc1ccc(CCCO)cc1Cl 113074697 574046378 /nfs/dbraw/zinc/04/63/78/574046378.db2.gz GTYBECMXFPLFHB-UHFFFAOYSA-N 0 0 184.666 2.573 10 0 AFAERN CC[C@@H](C)N(C)c1ccccc1 113111593 574046385 /nfs/dbraw/zinc/04/63/85/574046385.db2.gz REFGXLSOFBWGAQ-SNVBAGLBSA-N 0 0 163.264 2.921 10 0 AFAERN CNSc1cc(C)ccc1C 259299999 574046418 /nfs/dbraw/zinc/04/64/18/574046418.db2.gz UIWBZXXSAUOILQ-UHFFFAOYSA-N 0 0 167.277 2.530 10 0 AFAERN CCc1c(C)ccc(N)c1CC 113143792 574046582 /nfs/dbraw/zinc/04/65/82/574046582.db2.gz IAUCVLYNKDDRED-UHFFFAOYSA-N 0 0 163.264 2.702 10 0 AFAERN COCc1c(C)cc(C)c(C)c1OC 259299816 574046637 /nfs/dbraw/zinc/04/66/37/574046637.db2.gz KCEKKZCHALJTKN-UHFFFAOYSA-N 0 0 194.274 2.767 10 0 AFAERN CNc1cccc(SCC(C)C)n1 87849573 574046650 /nfs/dbraw/zinc/04/66/50/574046650.db2.gz NSDYYMFVQCHBFD-UHFFFAOYSA-N 0 0 196.319 2.871 10 0 AFAERN CNc1cccc(O[C@@H](C)C(C)C)n1 87849267 574046696 /nfs/dbraw/zinc/04/66/96/574046696.db2.gz SEVWVCNIPOUDDU-VIFPVBQESA-N 0 0 194.278 2.547 10 0 AFAERN CC[C@@H]1Oc2c(ccc(C)c2C)C1=O 113208547 574046746 /nfs/dbraw/zinc/04/67/46/574046746.db2.gz JZCQKYFPIIAZNB-JTQLQIEISA-N 0 0 190.242 2.657 10 0 AFAERN CCC[C@@H](OCC)C(=O)c1ccoc1 131826992 574047176 /nfs/dbraw/zinc/04/71/76/574047176.db2.gz HZTIVZHYCTWZML-SNVBAGLBSA-N 0 0 196.246 2.668 10 0 AFAERN Nc1ccc(N)c(-c2ccccc2)c1 113198779 574047138 /nfs/dbraw/zinc/04/71/38/574047138.db2.gz FKHKSWSHWLYDOI-UHFFFAOYSA-N 0 0 184.242 2.518 10 0 AFAERN CCCSc1cccc(NC)n1 87850130 574047241 /nfs/dbraw/zinc/04/72/41/574047241.db2.gz SLGIDMCOABKUFF-UHFFFAOYSA-N 0 0 182.292 2.625 10 0 AFAERN CCCNc1cccc(SC)n1 87850958 574047260 /nfs/dbraw/zinc/04/72/60/574047260.db2.gz BOCLSHXHWOPNRU-UHFFFAOYSA-N 0 0 182.292 2.625 10 0 AFAERN CCc1cnc(-c2cccnc2)s1 113217268 574047264 /nfs/dbraw/zinc/04/72/64/574047264.db2.gz FNJRPCTXAMYHCK-UHFFFAOYSA-N 0 0 190.271 2.768 10 0 AFAERN Clc1cccc2c1CCCO2 113197988 574047343 /nfs/dbraw/zinc/04/73/43/574047343.db2.gz RRQPWPZCHFADGH-UHFFFAOYSA-N 0 0 168.623 2.665 10 0 AFAERN CCCCC(=O)[C@H](CCC)OCC 131825359 574047287 /nfs/dbraw/zinc/04/72/87/574047287.db2.gz JYWKGANJJGSZSL-NSHDSACASA-N 0 0 186.295 2.951 10 0 AFAERN CCNc1cccc(SCC)n1 87849913 574047298 /nfs/dbraw/zinc/04/72/98/574047298.db2.gz AMFJPMLGJDFURU-UHFFFAOYSA-N 0 0 182.292 2.625 10 0 AFAERN CC1(C)[C@H]2CC[C@]1(C)[C@@](C)(O)C2 2038672 574411751 /nfs/dbraw/zinc/41/17/51/574411751.db2.gz LFYXNXGVLGKVCJ-LSJOCFKGSA-N 0 0 168.280 2.584 10 0 endogenous,in-man AFAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@](C)(O)C2 2572145 574411921 /nfs/dbraw/zinc/41/19/21/574411921.db2.gz LFYXNXGVLGKVCJ-IEBDPFPHSA-N 0 0 168.280 2.584 10 0 endogenous,in-man AFAERN CCCCC/C=C\C=C\C(=O)OC 13433426 574413247 /nfs/dbraw/zinc/41/32/47/574413247.db2.gz SFHSEXGIVSBRRK-UQGDGPGGSA-N 0 0 182.263 2.852 10 0 endogenous,in-man AFAERN C[C@@H]1[C@@H](O)C=C2C(C)(C)CC=C[C@]21C 14724749 574413641 /nfs/dbraw/zinc/41/36/41/574413641.db2.gz MHUYBIUXLMLCJM-NRUUGDAUSA-N 0 0 192.302 2.916 10 0 endogenous,in-man AFAERN C[C@@H]1[C@H](O)C=C2C(C)(C)CC=C[C@]21C 14724752 574413650 /nfs/dbraw/zinc/41/36/50/574413650.db2.gz MHUYBIUXLMLCJM-BREBYQMCSA-N 0 0 192.302 2.916 10 0 endogenous,in-man AFAERN C[C@@H]1[C@@H](O)C=C2C(C)(C)CC=C[C@@]21C 85925347 574416871 /nfs/dbraw/zinc/41/68/71/574416871.db2.gz MHUYBIUXLMLCJM-GBIKHYSHSA-N 0 0 192.302 2.916 10 0 endogenous,in-man AFAERN C[C@@H]1[C@H](O)C=C2C(C)(C)CC=C[C@@]21C 85925336 574416879 /nfs/dbraw/zinc/41/68/79/574416879.db2.gz MHUYBIUXLMLCJM-GIPNMCIBSA-N 0 0 192.302 2.916 10 0 endogenous,in-man AFAERN Cc1ccc2ccc(N(C)C)cc2n1 2434 575189039 /nfs/dbraw/zinc/18/90/39/575189039.db2.gz XIKIEVCGDQRLGF-UHFFFAOYSA-N 0 0 186.258 2.609 10 0 AFAERN CCCc1cc2c(cc1O)CCS2 11941 575189227 /nfs/dbraw/zinc/18/92/27/575189227.db2.gz GPBOTZIJISGUBK-UHFFFAOYSA-N 0 0 194.299 2.993 10 0 AFAERN Cc1cnc2cc(N(C)C)ccc2c1 2437 575189332 /nfs/dbraw/zinc/18/93/32/575189332.db2.gz SIHFHBPYKDTZLE-UHFFFAOYSA-N 0 0 186.258 2.609 10 0 AFAERN OCCCCSc1cccs1 35650321 486716214 /nfs/dbraw/zinc/71/62/14/486716214.db2.gz FZTBTFYZYZCFSU-UHFFFAOYSA-N 0 0 188.317 2.613 10 0 AFAERN CCCC[C@H](C)C(=O)N(C)CC1CC1 669645477 486730649 /nfs/dbraw/zinc/73/06/49/486730649.db2.gz MUXUXIYGLNMYJQ-JTQLQIEISA-N 0 0 197.322 2.681 10 0 AFAERN CCCC[C@@H](C)C(=O)N[C@@H]1CC1(C)C 669687431 486730776 /nfs/dbraw/zinc/73/07/76/486730776.db2.gz JBVQDDCZXWFDCT-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC[C@H](C)C(=O)N[C@@H]1CC1(C)C 669687432 486730816 /nfs/dbraw/zinc/73/08/16/486730816.db2.gz JBVQDDCZXWFDCT-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN CC1(C)C[C@H]1Nc1ncccc1Cl 45135722 486730861 /nfs/dbraw/zinc/73/08/61/486730861.db2.gz PGUIJUMPKYKQNT-MRVPVSSYSA-N 0 0 196.681 2.945 10 0 AFAERN CCCC[C@@H](C)C(=O)N(C)CC1CC1 669645478 486731016 /nfs/dbraw/zinc/73/10/16/486731016.db2.gz MUXUXIYGLNMYJQ-SNVBAGLBSA-N 0 0 197.322 2.681 10 0 AFAERN CCCC[C@H](C)C(=O)NC[C@H]1C[C@H]1C 669695521 486732378 /nfs/dbraw/zinc/73/23/78/486732378.db2.gz IRFZPSGZLNGMJF-HBNTYKKESA-N 0 0 197.322 2.585 10 0 AFAERN CCCC[C@H](C)C(=O)NC[C@@H]1C[C@@H]1C 669695519 486732517 /nfs/dbraw/zinc/73/25/17/486732517.db2.gz IRFZPSGZLNGMJF-DCAQKATOSA-N 0 0 197.322 2.585 10 0 AFAERN CCCC[C@H](C)C(=O)NC[C@H]1C[C@@H]1C 669695520 486732829 /nfs/dbraw/zinc/73/28/29/486732829.db2.gz IRFZPSGZLNGMJF-GARJFASQSA-N 0 0 197.322 2.585 10 0 AFAERN CCCC[C@H](C)C(=O)NC[C@@H]1C[C@H]1C 669695518 486733079 /nfs/dbraw/zinc/73/30/79/486733079.db2.gz IRFZPSGZLNGMJF-AXFHLTTASA-N 0 0 197.322 2.585 10 0 AFAERN CCCC[C@H](C)C(=O)N1[C@@H](C)C[C@H]1C 669722912 486733843 /nfs/dbraw/zinc/73/38/43/486733843.db2.gz NOIJQHILOYJHRD-GARJFASQSA-N 0 0 197.322 2.822 10 0 AFAERN CCCC[C@@H](C)C(=O)N1[C@@H](C)C[C@H]1C 669722914 486734037 /nfs/dbraw/zinc/73/40/37/486734037.db2.gz NOIJQHILOYJHRD-MXWKQRLJSA-N 0 0 197.322 2.822 10 0 AFAERN CCCC[C@H](C)C(=O)N1[C@@H](C)C[C@@H]1C 669722911 486734142 /nfs/dbraw/zinc/73/41/42/486734142.db2.gz NOIJQHILOYJHRD-DCAQKATOSA-N 0 0 197.322 2.822 10 0 AFAERN CCCC[C@H](C)C(=O)N1[C@H](C)C[C@H]1C 669722913 486734347 /nfs/dbraw/zinc/73/43/47/486734347.db2.gz NOIJQHILOYJHRD-HBNTYKKESA-N 0 0 197.322 2.822 10 0 AFAERN CCC(CC)[C@H](C)C(=O)N1CC(C)C1 669910637 486734570 /nfs/dbraw/zinc/73/45/70/486734570.db2.gz BMGCZCVRFNJCTL-JTQLQIEISA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@H](CC(=O)N1CC(C)C1)C(C)C 669910331 486734715 /nfs/dbraw/zinc/73/47/15/486734715.db2.gz WRLSVSNKRQIVHK-LLVKDONJSA-N 0 0 197.322 2.537 10 0 AFAERN CCC[C@](C)(CC)C(=O)N1CC(C)C1 669910509 486734803 /nfs/dbraw/zinc/73/48/03/486734803.db2.gz HFWJIUASUVARJZ-LBPRGKRZSA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)C[C@H](C)CC(=O)N1CC(C)C1 669910551 486734863 /nfs/dbraw/zinc/73/48/63/486734863.db2.gz UCNHZCGCUKXRFN-JTQLQIEISA-N 0 0 197.322 2.537 10 0 AFAERN CCC(CC)[C@@H](C)C(=O)N1CC(C)C1 669910638 486734880 /nfs/dbraw/zinc/73/48/80/486734880.db2.gz BMGCZCVRFNJCTL-SNVBAGLBSA-N 0 0 197.322 2.537 10 0 AFAERN CCC[C@@](C)(CC)C(=O)N1CC(C)C1 669910508 486735016 /nfs/dbraw/zinc/73/50/16/486735016.db2.gz HFWJIUASUVARJZ-GFCCVEGCSA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)C[C@@H](C)CC(=O)N1CC(C)C1 669910552 486735061 /nfs/dbraw/zinc/73/50/61/486735061.db2.gz UCNHZCGCUKXRFN-SNVBAGLBSA-N 0 0 197.322 2.537 10 0 AFAERN CCC(CC)(CC)C(=O)N1CC(C)C1 669910295 486735145 /nfs/dbraw/zinc/73/51/45/486735145.db2.gz GAYMEPNARIJSJU-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCCC(C)(C)CC(=O)N1CC(C)C1 669910648 486735164 /nfs/dbraw/zinc/73/51/64/486735164.db2.gz DMGPUWLFHGJNNV-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC1CN(C(=O)CCCC(C)(C)C)C1 669910344 486735258 /nfs/dbraw/zinc/73/52/58/486735258.db2.gz ZXDMNAAHJILPOY-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@@H](CC(=O)N1CC(C)C1)C(C)C 669910332 486735424 /nfs/dbraw/zinc/73/54/24/486735424.db2.gz WRLSVSNKRQIVHK-NSHDSACASA-N 0 0 197.322 2.537 10 0 AFAERN Cc1cccc(C(C)C)c1NCCO 49807176 486735694 /nfs/dbraw/zinc/73/56/94/486735694.db2.gz JENBBFUVLJGYNQ-UHFFFAOYSA-N 0 0 193.290 2.523 10 0 AFAERN CCCCCN1Cc2cccnc2C1 670984297 486741633 /nfs/dbraw/zinc/74/16/33/486741633.db2.gz STSMIIAJNZMVAB-UHFFFAOYSA-N 0 0 190.290 2.587 10 0 AFAERN CC(=O)c1ccn(CCC(C)(C)C)n1 670853299 486741850 /nfs/dbraw/zinc/74/18/50/486741850.db2.gz CNUMRNSIQDHLKR-UHFFFAOYSA-N 0 0 194.278 2.522 10 0 AFAERN Cc1ncccc1OCCCCCF 671145082 486742916 /nfs/dbraw/zinc/74/29/16/486742916.db2.gz FBEDZBKPJSKTTR-UHFFFAOYSA-N 0 0 197.253 2.909 10 0 AFAERN Cc1ccc(OCCCCCF)cn1 671144907 486743490 /nfs/dbraw/zinc/74/34/90/486743490.db2.gz CTALUVVTUCNUMW-UHFFFAOYSA-N 0 0 197.253 2.909 10 0 AFAERN CCCC(C)(C)CC(=O)N[C@@H]1C[C@H]1C 671238134 486744236 /nfs/dbraw/zinc/74/42/36/486744236.db2.gz WBNPYIWEOCXXLP-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[C@H]1C 671237986 486744280 /nfs/dbraw/zinc/74/42/80/486744280.db2.gz IFLHUYOUSSDMCF-GMTAPVOTSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](CC(=O)N[C@@H]1C[C@H]1C)C(C)C 671237987 486744542 /nfs/dbraw/zinc/74/45/42/486744542.db2.gz IGVZYAGAVUUPCQ-OUAUKWLOSA-N 0 0 197.322 2.583 10 0 AFAERN CCC[C@@H](C(=O)N[C@@H]1C[C@H]1C)C(C)C 671238351 486745125 /nfs/dbraw/zinc/74/51/25/486745125.db2.gz ZKURZGUHHNXVOG-GMTAPVOTSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(CC)[C@H](C)C(=O)N[C@@H]1C[C@H]1C 671238184 486745434 /nfs/dbraw/zinc/74/54/34/486745434.db2.gz VHCUSGHUHAMUII-WCABBAIRSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(CC)[C@@H](C)C(=O)N[C@@H]1C[C@H]1C 671238183 486745504 /nfs/dbraw/zinc/74/55/04/486745504.db2.gz VHCUSGHUHAMUII-FXPVBKGRSA-N 0 0 197.322 2.583 10 0 AFAERN CCC[C@H](C(=O)N[C@@H]1C[C@H]1C)C(C)C 671238354 486745578 /nfs/dbraw/zinc/74/55/78/486745578.db2.gz ZKURZGUHHNXVOG-OUAUKWLOSA-N 0 0 197.322 2.583 10 0 AFAERN CCC[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1C 671288253 486745977 /nfs/dbraw/zinc/74/59/77/486745977.db2.gz HIKUCALEFZAOFN-CKYFFXLPSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)CC(C)(C)C(=O)N[C@@H]1C[C@H]1C 671288328 486746066 /nfs/dbraw/zinc/74/60/66/486746066.db2.gz KHWKNZJBRWRKTC-NXEZZACHSA-N 0 0 197.322 2.583 10 0 AFAERN CCC[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1C 671288254 486746857 /nfs/dbraw/zinc/74/68/57/486746857.db2.gz HIKUCALEFZAOFN-FOGDFJRCSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC(CCC)C(=O)N[C@@H]1C[C@H]1C 671288368 486747163 /nfs/dbraw/zinc/74/71/63/486747163.db2.gz LZNLYUAHPWLSKK-MWLCHTKSSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC[C@@H](CC)C(=O)N[C@@H]1C[C@H]1C 671288489 486747706 /nfs/dbraw/zinc/74/77/06/486747706.db2.gz RWFJERSALLLSAO-GMTAPVOTSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(CC)(CC)C(=O)N[C@@H]1C[C@H]1C 671288691 486747945 /nfs/dbraw/zinc/74/79/45/486747945.db2.gz NJDYWEDUCGDLNQ-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN COc1cccc(OCCCCF)c1 671654473 486750989 /nfs/dbraw/zinc/75/09/89/486750989.db2.gz BDPUYOKKJYKPMA-UHFFFAOYSA-N 0 0 198.237 2.824 10 0 AFAERN CC[C@H](C)CCC(=O)NC[C@@H]1C[C@H]1C 671656016 486751501 /nfs/dbraw/zinc/75/15/01/486751501.db2.gz JHVSFQAPGUZQEL-AXFHLTTASA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@H](C)CCC(=O)NC[C@H]1C[C@@H]1C 671656018 486751547 /nfs/dbraw/zinc/75/15/47/486751547.db2.gz JHVSFQAPGUZQEL-GARJFASQSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@H](C)CCC(=O)NC[C@H]1C[C@H]1C 671656019 486751639 /nfs/dbraw/zinc/75/16/39/486751639.db2.gz JHVSFQAPGUZQEL-HBNTYKKESA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@H](C)CCC(=O)N(C)CC1CC1 671662085 486751735 /nfs/dbraw/zinc/75/17/35/486751735.db2.gz AXZJTXJWPARDFY-JTQLQIEISA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@@H](C)CCC(=O)N[C@@H]1CC1(C)C 671665495 486751872 /nfs/dbraw/zinc/75/18/72/486751872.db2.gz KNBHAJGBHCBIFH-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@@H](C)CCC(=O)N(C)CC1CC1 671662086 486751914 /nfs/dbraw/zinc/75/19/14/486751914.db2.gz AXZJTXJWPARDFY-SNVBAGLBSA-N 0 0 197.322 2.681 10 0 AFAERN CC[C@H](C)CCC(=O)N[C@@H]1CC1(C)C 671665496 486752184 /nfs/dbraw/zinc/75/21/84/486752184.db2.gz KNBHAJGBHCBIFH-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)CCC(=O)NC[C@@H]1C[C@@H]1C 671656017 486752271 /nfs/dbraw/zinc/75/22/71/486752271.db2.gz JHVSFQAPGUZQEL-DCAQKATOSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H]1C 671901817 486758737 /nfs/dbraw/zinc/75/87/37/486758737.db2.gz MBEJCKHVORUWEO-OUAUKWLOSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@H](NCC(F)(F)F)C1CCCC1 54077229 486754029 /nfs/dbraw/zinc/75/40/29/486754029.db2.gz DXBKYJWZKZMRIJ-ZETCQYMHSA-N 0 0 195.228 2.717 10 0 AFAERN C[C@@H](NCC(F)(F)F)C1CCCC1 54077230 486754734 /nfs/dbraw/zinc/75/47/34/486754734.db2.gz DXBKYJWZKZMRIJ-SSDOTTSWSA-N 0 0 195.228 2.717 10 0 AFAERN CC[C@H](C)CCC(=O)N1CC=CCC1 671791305 486756323 /nfs/dbraw/zinc/75/63/23/486756323.db2.gz HORYCZWQFBNBJF-NSHDSACASA-N 0 0 195.306 2.601 10 0 AFAERN CC[C@@H](C)CCC(=O)N1CC=CCC1 671791304 486756505 /nfs/dbraw/zinc/75/65/05/486756505.db2.gz HORYCZWQFBNBJF-LLVKDONJSA-N 0 0 195.306 2.601 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CC[C@@H]1C 671901720 486757149 /nfs/dbraw/zinc/75/71/49/486757149.db2.gz BQRSVLCDWSKBEX-XWLWVQCSSA-N 0 0 197.322 2.583 10 0 AFAERN CCCC[C@H](C)C(=O)N[C@H]1CC[C@@H]1C 671901503 486757266 /nfs/dbraw/zinc/75/72/66/486757266.db2.gz JKRAUJOCOXLEEL-DCAQKATOSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC[C@H](C)C(=O)N[C@@H]1CC[C@@H]1C 671901504 486757388 /nfs/dbraw/zinc/75/73/88/486757388.db2.gz JKRAUJOCOXLEEL-GARJFASQSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)CCC(=O)N1[C@@H](C)C[C@H]1C 671839555 486757400 /nfs/dbraw/zinc/75/74/00/486757400.db2.gz URUGBNYIMNOBID-GARJFASQSA-N 0 0 197.322 2.822 10 0 AFAERN CC[C@H](C)CCC(=O)N1[C@H](C)C[C@H]1C 671839556 486757493 /nfs/dbraw/zinc/75/74/93/486757493.db2.gz URUGBNYIMNOBID-HBNTYKKESA-N 0 0 197.322 2.822 10 0 AFAERN CC[C@H](C)CCC(=O)N[C@H]1CC[C@H]1C 671901710 486757503 /nfs/dbraw/zinc/75/75/03/486757503.db2.gz AFDPTIJCCHBRJV-AXFHLTTASA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)CCC(=O)N[C@H]1CC[C@@H]1C 671901711 486757510 /nfs/dbraw/zinc/75/75/10/486757510.db2.gz AFDPTIJCCHBRJV-DCAQKATOSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CC[C@H]1C 671901721 486757564 /nfs/dbraw/zinc/75/75/64/486757564.db2.gz BQRSVLCDWSKBEX-ZRUFSTJUSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H]1C 671901719 486757578 /nfs/dbraw/zinc/75/75/78/486757578.db2.gz BQRSVLCDWSKBEX-VLEAKVRGSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)CCC(=O)N[C@@H]1CC[C@H]1C 671901713 486757644 /nfs/dbraw/zinc/75/76/44/486757644.db2.gz AFDPTIJCCHBRJV-HBNTYKKESA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N[C@H]1CC[C@@H]1C 671901718 486757671 /nfs/dbraw/zinc/75/76/71/486757671.db2.gz BQRSVLCDWSKBEX-NAKRPEOUSA-N 0 0 197.322 2.583 10 0 AFAERN CCCC[C@H](C)C(=O)N[C@@H]1CC[C@H]1C 671901505 486757782 /nfs/dbraw/zinc/75/77/82/486757782.db2.gz JKRAUJOCOXLEEL-OUAUKWLOSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)CCC(=O)N[C@@H]1CC[C@@H]1C 671901712 486757826 /nfs/dbraw/zinc/75/78/26/486757826.db2.gz AFDPTIJCCHBRJV-GARJFASQSA-N 0 0 197.322 2.727 10 0 AFAERN CCCC[C@H](C)C(=O)N[C@H]1CC[C@H]1C 671901506 486757865 /nfs/dbraw/zinc/75/78/65/486757865.db2.gz JKRAUJOCOXLEEL-VWYCJHECSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)CCC(=O)N1[C@@H](C)C[C@@H]1C 671839554 486757875 /nfs/dbraw/zinc/75/78/75/486757875.db2.gz URUGBNYIMNOBID-DCAQKATOSA-N 0 0 197.322 2.822 10 0 AFAERN CC[C@@H](C)CCC(=O)N1[C@@H](C)C[C@H]1C 671839557 486757924 /nfs/dbraw/zinc/75/79/24/486757924.db2.gz URUGBNYIMNOBID-MXWKQRLJSA-N 0 0 197.322 2.822 10 0 AFAERN CCC[C@H](C)CC(=O)N[C@H]1CC[C@@H]1C 671902064 486758159 /nfs/dbraw/zinc/75/81/59/486758159.db2.gz DSNZRTLUTUMQLV-DCAQKATOSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(CC)CC(=O)N[C@@H]1CC[C@@H]1C 671901905 486758193 /nfs/dbraw/zinc/75/81/93/486758193.db2.gz WGZQTMXGNFDTJS-GXSJLCMTSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)CC(=O)N[C@@H]1CC[C@H]1C 671902066 486758202 /nfs/dbraw/zinc/75/82/02/486758202.db2.gz DSNZRTLUTUMQLV-HBNTYKKESA-N 0 0 197.322 2.727 10 0 AFAERN CCC(CC)CC(=O)N[C@H]1CC[C@@H]1C 671901908 486758225 /nfs/dbraw/zinc/75/82/25/486758225.db2.gz WGZQTMXGNFDTJS-ONGXEEELSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)CC(=O)N[C@@H]1CC[C@@H]1C 671902065 486758240 /nfs/dbraw/zinc/75/82/40/486758240.db2.gz DSNZRTLUTUMQLV-GARJFASQSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(CC)CC(=O)N[C@H]1CC[C@H]1C 671901906 486758307 /nfs/dbraw/zinc/75/83/07/486758307.db2.gz WGZQTMXGNFDTJS-KOLCDFICSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(CC)CC(=O)N[C@@H]1CC[C@H]1C 671901907 486758331 /nfs/dbraw/zinc/75/83/31/486758331.db2.gz WGZQTMXGNFDTJS-MWLCHTKSSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)CC(=O)N[C@@H]1CC[C@H]1C 671901734 486758496 /nfs/dbraw/zinc/75/84/96/486758496.db2.gz FNTRELGAAHDZRJ-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)CC(=O)N[C@H]1CC[C@H]1C 671901737 486758552 /nfs/dbraw/zinc/75/85/52/486758552.db2.gz FNTRELGAAHDZRJ-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CC[C@@H]1C 671901815 486758581 /nfs/dbraw/zinc/75/85/81/486758581.db2.gz MBEJCKHVORUWEO-GARJFASQSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(C)CC(=O)N[C@@H]1CC[C@@H]1C 671901736 486758692 /nfs/dbraw/zinc/75/86/92/486758692.db2.gz FNTRELGAAHDZRJ-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@H](C)C(=O)N[C@H]1CC[C@H]1C 671901819 486758758 /nfs/dbraw/zinc/75/87/58/486758758.db2.gz MBEJCKHVORUWEO-VWYCJHECSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(C)CC(=O)N[C@H]1CC[C@@H]1C 671901735 486758765 /nfs/dbraw/zinc/75/87/65/486758765.db2.gz FNTRELGAAHDZRJ-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@H](C)C(=O)N[C@H]1CC[C@@H]1C 671901814 486758834 /nfs/dbraw/zinc/75/88/34/486758834.db2.gz MBEJCKHVORUWEO-DCAQKATOSA-N 0 0 197.322 2.583 10 0 AFAERN CCC[C@H](C)CC(=O)N[C@H]1CC[C@H]1C 671902063 486758839 /nfs/dbraw/zinc/75/88/39/486758839.db2.gz DSNZRTLUTUMQLV-AXFHLTTASA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)(C)CCCCC(=O)N1CCC1 672066829 486760470 /nfs/dbraw/zinc/76/04/70/486760470.db2.gz GVZODKNNOZSKFE-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN C[C@H](C(=O)N[C@@H]1CC[C@H]1C)C(C)(C)C 672344579 486765148 /nfs/dbraw/zinc/76/51/48/486765148.db2.gz VNVOJABLISNSAV-OPRDCNLKSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@@H]1CC[C@@H]1NC(=O)CCC(C)(C)C 672344117 486765185 /nfs/dbraw/zinc/76/51/85/486765185.db2.gz IEKPZROZTLCPOY-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@H]1CC[C@H]1NC(=O)CCC(C)(C)C 672344116 486765201 /nfs/dbraw/zinc/76/52/01/486765201.db2.gz IEKPZROZTLCPOY-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@H]1CC[C@@H]1NC(=O)CCC(C)(C)C 672344115 486765205 /nfs/dbraw/zinc/76/52/05/486765205.db2.gz IEKPZROZTLCPOY-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@@H]1CC[C@H]1NC(=O)[C@H](C)C(C)(C)C 672344578 486765261 /nfs/dbraw/zinc/76/52/61/486765261.db2.gz VNVOJABLISNSAV-KXUCPTDWSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(CC)C(=O)N[C@H]1CC[C@@H]1C 672344842 486765460 /nfs/dbraw/zinc/76/54/60/486765460.db2.gz XUSLYOFVAFBNEJ-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(CC)C(=O)N[C@@H]1CC[C@H]1C 672344841 486765557 /nfs/dbraw/zinc/76/55/57/486765557.db2.gz XUSLYOFVAFBNEJ-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@@H]1CC[C@H]1NC(=O)CCC(C)(C)C 672344114 486765648 /nfs/dbraw/zinc/76/56/48/486765648.db2.gz IEKPZROZTLCPOY-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@H](C(=O)N[C@H]1CC[C@H]1C)C(C)(C)C 672344577 486765725 /nfs/dbraw/zinc/76/57/25/486765725.db2.gz VNVOJABLISNSAV-BBBLOLIVSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@@H]1CC[C@@H]1NC(=O)[C@H](C)C(C)(C)C 672344580 486765730 /nfs/dbraw/zinc/76/57/30/486765730.db2.gz VNVOJABLISNSAV-UTLUCORTSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(CC)C(=O)N[C@@H]1CC[C@@H]1C 672344843 486765779 /nfs/dbraw/zinc/76/57/79/486765779.db2.gz XUSLYOFVAFBNEJ-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(CC)C(=O)N[C@H]1CC[C@H]1C 672344844 486766010 /nfs/dbraw/zinc/76/60/10/486766010.db2.gz XUSLYOFVAFBNEJ-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCNC(=O)CC1(C)CCCC1 673423814 486773291 /nfs/dbraw/zinc/77/32/91/486773291.db2.gz YJZKHSAEXZYSRQ-UHFFFAOYSA-N 0 0 197.322 2.873 10 0 AFAERN CC[C@@H](C)NC(=O)CC1(C)CCCC1 673422514 486773448 /nfs/dbraw/zinc/77/34/48/486773448.db2.gz GUSPZUNHXADCPX-SNVBAGLBSA-N 0 0 197.322 2.872 10 0 AFAERN CCN(CC)C(=O)CC1(C)CCCC1 673423610 486773458 /nfs/dbraw/zinc/77/34/58/486773458.db2.gz IOZGDWDYYQPASU-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CC(C)CNC(=O)CC1(C)CCCC1 673425476 486773605 /nfs/dbraw/zinc/77/36/05/486773605.db2.gz SNVJAYWCRSWYLT-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CC[C@H](C)NC(=O)CC1(C)CCCC1 673422513 486773662 /nfs/dbraw/zinc/77/36/62/486773662.db2.gz GUSPZUNHXADCPX-JTQLQIEISA-N 0 0 197.322 2.872 10 0 AFAERN c1ccc(OCCOC2CCC2)cc1 673537827 486774404 /nfs/dbraw/zinc/77/44/04/486774404.db2.gz FTVFHXVZISLENB-UHFFFAOYSA-N 0 0 192.258 2.635 10 0 AFAERN CCCN(C)C(=O)CC1(C)CCCC1 673576735 486774548 /nfs/dbraw/zinc/77/45/48/486774548.db2.gz XPSYKZJLMDCNQU-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CCc1noc(C2C(C)(C)C2(C)C)n1 673698718 486775462 /nfs/dbraw/zinc/77/54/62/486775462.db2.gz CBWIVZLSJIUYSZ-UHFFFAOYSA-N 0 0 194.278 2.782 10 0 AFAERN CCC(C)(CC)NC(=O)[C@H](C)C1CC1 673899336 486778947 /nfs/dbraw/zinc/77/89/47/486778947.db2.gz GRUBJSSIKXWYLU-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(CC)NC(=O)[C@@H](C)C1CC1 673899338 486779127 /nfs/dbraw/zinc/77/91/27/486779127.db2.gz GRUBJSSIKXWYLU-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN Cc1ccccc1N[C@@H]1CCCOC1 70011624 486780538 /nfs/dbraw/zinc/78/05/38/486780538.db2.gz DLOVTLKLEIVLOU-LLVKDONJSA-N 0 0 191.274 2.586 10 0 AFAERN O=C(CCC1CCC1)N1CCCCC1 674076181 486787044 /nfs/dbraw/zinc/78/70/44/486787044.db2.gz APPRWIHBSWHLCN-UHFFFAOYSA-N 0 0 195.306 2.579 10 0 AFAERN CCC1(C(=O)NC[C@@H](C)C(C)C)CC1 674095518 486787859 /nfs/dbraw/zinc/78/78/59/486787859.db2.gz DOVHFMFLCRTXRF-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CCC1(C(=O)NC[C@H](C)C(C)C)CC1 674095517 486787882 /nfs/dbraw/zinc/78/78/82/486787882.db2.gz DOVHFMFLCRTXRF-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)[C@@H](C)CNC(=O)C1(C)CCC1 674246017 486790077 /nfs/dbraw/zinc/79/00/77/486790077.db2.gz AJFXNDFBNRVHBU-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)[C@H](C)CNC(=O)C1(C)CCC1 674246018 486790278 /nfs/dbraw/zinc/79/02/78/486790278.db2.gz AJFXNDFBNRVHBU-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)CCC(=O)NCC1(C)CCC1 674450506 486798422 /nfs/dbraw/zinc/79/84/22/486798422.db2.gz ONDDDJGECXFMGB-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCCCCC(=O)NCC1(C)CCC1 674449783 486798462 /nfs/dbraw/zinc/79/84/62/486798462.db2.gz GEQSDJFTPJHIAH-UHFFFAOYSA-N 0 0 197.322 2.873 10 0 AFAERN CC(C)[C@@H](C)C(=O)NCC1(C)CCC1 674449590 486798589 /nfs/dbraw/zinc/79/85/89/486798589.db2.gz CMKBRKIQZMCPLT-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)(C)CC(=O)NCC1(C)CCC1 674450415 486798632 /nfs/dbraw/zinc/79/86/32/486798632.db2.gz MROYLPZALWSUJN-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)[C@H](C)C(=O)NCC1(C)CCC1 674449588 486798733 /nfs/dbraw/zinc/79/87/33/486798733.db2.gz CMKBRKIQZMCPLT-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CCC[C@H](C)C(=O)NCC1(C)CCC1 674451238 486799442 /nfs/dbraw/zinc/79/94/42/486799442.db2.gz WKWQOGFKRPRQFC-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CCC[C@@H](C)C(=O)NCC1(C)CCC1 674451241 486799916 /nfs/dbraw/zinc/79/99/16/486799916.db2.gz WKWQOGFKRPRQFC-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CC(C)CCCC(=O)NCC(C)C 78041724 486803781 /nfs/dbraw/zinc/80/37/81/486803781.db2.gz QXPLYSVIAUQUCF-UHFFFAOYSA-N 0 0 185.311 2.585 10 0 AFAERN CCC[C@H]1C[C@@H]1NC(=O)C(C)(C)CC 674486337 486804051 /nfs/dbraw/zinc/80/40/51/486804051.db2.gz XTAXXOWSPKOJBX-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H]1C[C@H]1NC(=O)C(C)(C)CC 674486340 486804101 /nfs/dbraw/zinc/80/41/01/486804101.db2.gz XTAXXOWSPKOJBX-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@@H]1C[C@@H]1NC(=O)C(C)(C)CC 674486341 486804237 /nfs/dbraw/zinc/80/42/37/486804237.db2.gz XTAXXOWSPKOJBX-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN c1cc(-c2cscn2)cs1 81144560 486804360 /nfs/dbraw/zinc/80/43/60/486804360.db2.gz SSTRZXDDHNGPGJ-UHFFFAOYSA-N 0 0 167.258 2.872 10 0 AFAERN CCC1(NC(=O)CCC(C)C)CCC1 674509136 486804816 /nfs/dbraw/zinc/80/48/16/486804816.db2.gz QSSIMZRVUSQRIP-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CCC[C@@H](C)C(=O)NC1(CC)CCC1 674509152 486805065 /nfs/dbraw/zinc/80/50/65/486805065.db2.gz QYSDMPLAOYMXMI-SNVBAGLBSA-N 0 0 197.322 2.872 10 0 AFAERN CCC1(NC(=O)[C@@H](C)C(C)C)CCC1 674508126 486805115 /nfs/dbraw/zinc/80/51/15/486805115.db2.gz MLADPOWAESAHMY-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)C(=O)NC1(CC)CCC1 674509150 486805147 /nfs/dbraw/zinc/80/51/47/486805147.db2.gz QYSDMPLAOYMXMI-JTQLQIEISA-N 0 0 197.322 2.872 10 0 AFAERN CCC1(NC(=O)CC2CCC2)CCC1 674509509 486805186 /nfs/dbraw/zinc/80/51/86/486805186.db2.gz KQOOUPSKCUYNQL-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CCC1(NC(=O)CC(C)(C)C)CCC1 674509492 486805224 /nfs/dbraw/zinc/80/52/24/486805224.db2.gz WJWONRZFBZXQOS-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CCC1(NC(=O)[C@H](C)C(C)C)CCC1 674508129 486805226 /nfs/dbraw/zinc/80/52/26/486805226.db2.gz MLADPOWAESAHMY-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN CCC1(NC(=O)CCC2CC2)CCC1 674507874 486805234 /nfs/dbraw/zinc/80/52/34/486805234.db2.gz JDGCFANJFOXKEN-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CCC(CC)C(=O)NCC1(C)CCC1 674518216 486805568 /nfs/dbraw/zinc/80/55/68/486805568.db2.gz STORVEREIVMOKL-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCC(C)(C)C(=O)NCC1(C)CCC1 674517157 486806064 /nfs/dbraw/zinc/80/60/64/486806064.db2.gz ALQUORMZVDTNCQ-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCCN(C)C(=O)C(C)(C)CC(C)C 674656012 486807335 /nfs/dbraw/zinc/80/73/35/486807335.db2.gz BCRBUCWHFZPDLI-UHFFFAOYSA-N 0 0 199.338 2.927 10 0 AFAERN CCC(CC)CNC(=O)C1CC(C)C1 674682804 486807837 /nfs/dbraw/zinc/80/78/37/486807837.db2.gz APDMGAUKVWPTEA-UHFFFAOYSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)CC(=O)NCC1CCCCC1 82277223 486809387 /nfs/dbraw/zinc/80/93/87/486809387.db2.gz ZXKWNCREJAILID-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCCCC(=O)N1CC[C@H](C(C)C)C1 674810748 486812771 /nfs/dbraw/zinc/81/27/71/486812771.db2.gz NZPZEOZXHUOKJW-NSHDSACASA-N 0 0 197.322 2.681 10 0 AFAERN CCCCC(=O)N1CC[C@@H](C(C)C)C1 674810747 486812800 /nfs/dbraw/zinc/81/28/00/486812800.db2.gz NZPZEOZXHUOKJW-LLVKDONJSA-N 0 0 197.322 2.681 10 0 AFAERN Cc1noc(C)c1-c1ccccc1N 82530105 486814826 /nfs/dbraw/zinc/81/48/26/486814826.db2.gz NLPTZIRDKGYQHJ-UHFFFAOYSA-N 0 0 188.230 2.541 10 0 AFAERN CCCN(C)C(=O)C1(CC)CCCC1 674917037 486823170 /nfs/dbraw/zinc/82/31/70/486823170.db2.gz IFBNSWBDOSWXOE-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN Cc1cc(-c2ccc(N)cc2)sn1 82883690 486828466 /nfs/dbraw/zinc/82/84/66/486828466.db2.gz HXGGKDYDTKENIS-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN CCC(CC)CC(=O)N1CCCCC1 675219624 486831423 /nfs/dbraw/zinc/83/14/23/486831423.db2.gz GMZVSONIYJYPIJ-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CCC(CC)CC(=O)NC[C@H]1C[C@H]1C 675223816 486831685 /nfs/dbraw/zinc/83/16/85/486831685.db2.gz VVIZYTYEZDHDFO-MWLCHTKSSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(CC)CC(=O)N(C)CC1CC1 675223346 486831807 /nfs/dbraw/zinc/83/18/07/486831807.db2.gz RRCRTFTZKGIPLA-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCC(CC)CC(=O)NC[C@@H]1C[C@H]1C 675223815 486831843 /nfs/dbraw/zinc/83/18/43/486831843.db2.gz VVIZYTYEZDHDFO-KOLCDFICSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(CC)CC(=O)NC[C@H]1C[C@@H]1C 675223814 486831897 /nfs/dbraw/zinc/83/18/97/486831897.db2.gz VVIZYTYEZDHDFO-GXSJLCMTSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(CC)CC(=O)NC[C@@H]1C[C@@H]1C 675223817 486831992 /nfs/dbraw/zinc/83/19/92/486831992.db2.gz VVIZYTYEZDHDFO-ONGXEEELSA-N 0 0 197.322 2.585 10 0 AFAERN C[C@H]1CCN(CCF)c2ccccc21 675245176 486832056 /nfs/dbraw/zinc/83/20/56/486832056.db2.gz BGBOLOLEYCIEAW-JTQLQIEISA-N 0 0 193.265 2.970 10 0 AFAERN C[C@@H]1CCN(CCF)c2ccccc21 675245177 486832212 /nfs/dbraw/zinc/83/22/12/486832212.db2.gz BGBOLOLEYCIEAW-SNVBAGLBSA-N 0 0 193.265 2.970 10 0 AFAERN CCC(CC)CC(=O)N[C@@H]1CC1(C)C 675223038 486832219 /nfs/dbraw/zinc/83/22/19/486832219.db2.gz FPGJHZDMFMAEFV-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN C[C@@H]1Cc2ccccc2N(CCF)C1 675247349 486832467 /nfs/dbraw/zinc/83/24/67/486832467.db2.gz DJKIWBDKMWNJHW-SNVBAGLBSA-N 0 0 193.265 2.655 10 0 AFAERN C[C@H]1Cc2ccccc2N(CCF)C1 675247348 486832563 /nfs/dbraw/zinc/83/25/63/486832563.db2.gz DJKIWBDKMWNJHW-JTQLQIEISA-N 0 0 193.265 2.655 10 0 AFAERN FCCN1CC2(CC2)c2ccccc21 675247724 486833270 /nfs/dbraw/zinc/83/32/70/486833270.db2.gz SHSWKYHKDWEDEG-UHFFFAOYSA-N 0 0 191.249 2.508 10 0 AFAERN Cc1ccnc(N2CC[C@H](C)[C@@H]2C)c1 675288346 486833582 /nfs/dbraw/zinc/83/35/82/486833582.db2.gz FROPRAKFDQRVKO-QWRGUYRKSA-N 0 0 190.290 2.625 10 0 AFAERN Cc1ccnc(N2CC[C@@H](C)[C@H]2C)c1 675288344 486833929 /nfs/dbraw/zinc/83/39/29/486833929.db2.gz FROPRAKFDQRVKO-GHMZBOCLSA-N 0 0 190.290 2.625 10 0 AFAERN Cc1ccnc(N2CC[C@@H](C)[C@@H]2C)c1 675288345 486834026 /nfs/dbraw/zinc/83/40/26/486834026.db2.gz FROPRAKFDQRVKO-MNOVXSKESA-N 0 0 190.290 2.625 10 0 AFAERN Cc1ccnc(N2CC[C@H](C)[C@H]2C)c1 675288347 486834326 /nfs/dbraw/zinc/83/43/26/486834326.db2.gz FROPRAKFDQRVKO-WDEREUQCSA-N 0 0 190.290 2.625 10 0 AFAERN Cc1nc(N[C@@H](C)C2CC2)sc1C 83532693 486837116 /nfs/dbraw/zinc/83/71/16/486837116.db2.gz AOBNWUMKOGTAGM-ZETCQYMHSA-N 0 0 196.319 2.970 10 0 AFAERN CC(C)[C@@H](C)CNC(=O)C1=CCCC1 675456904 486837337 /nfs/dbraw/zinc/83/73/37/486837337.db2.gz MSDJVEABVHGKKA-JTQLQIEISA-N 0 0 195.306 2.505 10 0 AFAERN CCC(C)(CC)NC(=O)C1=CCCC1 675453508 486837449 /nfs/dbraw/zinc/83/74/49/486837449.db2.gz UGVQXRXWDYNDHT-UHFFFAOYSA-N 0 0 195.306 2.792 10 0 AFAERN CC(C)CCN(C)C(=O)C1=CCCC1 675440664 486837639 /nfs/dbraw/zinc/83/76/39/486837639.db2.gz HVPZPRPQUTXOSN-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN CC(C)[C@H](C)CNC(=O)C1=CCCC1 675456905 486837877 /nfs/dbraw/zinc/83/78/77/486837877.db2.gz MSDJVEABVHGKKA-SNVBAGLBSA-N 0 0 195.306 2.505 10 0 AFAERN c1ccc2c(c1)N(CC1CC1)CC21CC1 675646569 486848878 /nfs/dbraw/zinc/84/88/78/486848878.db2.gz CUXHVWZZKHJAAL-UHFFFAOYSA-N 0 0 199.297 2.948 10 0 AFAERN FCCCN1CCCc2ccccc21 675884099 486850582 /nfs/dbraw/zinc/85/05/82/486850582.db2.gz GTBPGCQEBOTVAU-UHFFFAOYSA-N 0 0 193.265 2.799 10 0 AFAERN C[C@H]1Cc2ccccc2N1CCCF 675884036 486850643 /nfs/dbraw/zinc/85/06/43/486850643.db2.gz FTKWJZIHTUSLBH-JTQLQIEISA-N 0 0 193.265 2.797 10 0 AFAERN C[C@@H]1CN(CCCF)c2ccccc21 675883775 486850702 /nfs/dbraw/zinc/85/07/02/486850702.db2.gz BNKAMEOMWDDTDC-SNVBAGLBSA-N 0 0 193.265 2.970 10 0 AFAERN C[C@H]1CN(CCCF)c2ccccc21 675883774 486850744 /nfs/dbraw/zinc/85/07/44/486850744.db2.gz BNKAMEOMWDDTDC-JTQLQIEISA-N 0 0 193.265 2.970 10 0 AFAERN C[C@@H]1Cc2ccccc2N1CCCF 675884041 486850771 /nfs/dbraw/zinc/85/07/71/486850771.db2.gz FTKWJZIHTUSLBH-SNVBAGLBSA-N 0 0 193.265 2.797 10 0 AFAERN Cc1cnccc1-c1ccccc1N 85424536 486867829 /nfs/dbraw/zinc/86/78/29/486867829.db2.gz OKQANEOZATWTIT-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCC(=O)Nc1ccc(CC)c(F)c1 676990639 486874887 /nfs/dbraw/zinc/87/48/87/486874887.db2.gz QQRPCICOLPXNFW-UHFFFAOYSA-N 0 0 195.237 2.737 10 0 AFAERN CCC(C)(CC)NC(=O)[C@H]1CC1(C)C 677053781 486877205 /nfs/dbraw/zinc/87/72/05/486877205.db2.gz NLMOXHFLSJFQBH-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCCCc1nc(C(C)=O)cs1 86323214 486877690 /nfs/dbraw/zinc/87/76/90/486877690.db2.gz XWASHMZVFOBBQG-UHFFFAOYSA-N 0 0 183.276 2.688 10 0 AFAERN CC[C@H](C)C(=O)NCCC1=CCCC1 677057458 486878083 /nfs/dbraw/zinc/87/80/83/486878083.db2.gz OBKGSYUJHGNIIO-JTQLQIEISA-N 0 0 195.306 2.649 10 0 AFAERN CC[C@@H](C)C(=O)NCCC1=CCCC1 677057459 486878145 /nfs/dbraw/zinc/87/81/45/486878145.db2.gz OBKGSYUJHGNIIO-SNVBAGLBSA-N 0 0 195.306 2.649 10 0 AFAERN CC(C)CC(=O)NCCC1=CCCC1 677057348 486878322 /nfs/dbraw/zinc/87/83/22/486878322.db2.gz NJQZKVUGQATKOI-UHFFFAOYSA-N 0 0 195.306 2.649 10 0 AFAERN CCCCC(=O)NCCC1=CCCC1 677057490 486878569 /nfs/dbraw/zinc/87/85/69/486878569.db2.gz QCAPUSPQCRIUCQ-UHFFFAOYSA-N 0 0 195.306 2.793 10 0 AFAERN CCC(C)(C)C(=O)N1CC(C(C)C)C1 677118962 486879175 /nfs/dbraw/zinc/87/91/75/486879175.db2.gz BTGAKXXXNWNJBM-UHFFFAOYSA-N 0 0 197.322 2.537 10 0 AFAERN CCCCCC(=O)N1CC(C(C)C)C1 677116608 486879512 /nfs/dbraw/zinc/87/95/12/486879512.db2.gz BHELGMUNFXWZCU-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCNC(=O)C[C@@H]1CCCC(C)(C)C1 677296828 486882784 /nfs/dbraw/zinc/88/27/84/486882784.db2.gz RUJFKCUFYGNCJG-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CCNC(=O)C[C@H]1CCCC(C)(C)C1 677296829 486883143 /nfs/dbraw/zinc/88/31/43/486883143.db2.gz RUJFKCUFYGNCJG-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CCCCCC(=O)N1CC=C(C)CC1 677323237 486883986 /nfs/dbraw/zinc/88/39/86/486883986.db2.gz CZHQGWXNVDVPRG-UHFFFAOYSA-N 0 0 195.306 2.745 10 0 AFAERN CNc1nc2c(s1)CCCC2(C)C 86841721 486888596 /nfs/dbraw/zinc/88/85/96/486888596.db2.gz CVVUTXPWRRGZLR-UHFFFAOYSA-N 0 0 196.319 2.799 10 0 AFAERN FC(F)[C@@H]1CCCN1CCC1CC1 677737531 486897180 /nfs/dbraw/zinc/89/71/80/486897180.db2.gz HWLTXVOMFBMILD-VIFPVBQESA-N 0 0 189.249 2.516 10 0 AFAERN CCCN(C)C(=O)[C@@H](C)C(CC)CC 677758246 486897259 /nfs/dbraw/zinc/89/72/59/486897259.db2.gz AAZHKQDXVLDBOR-JTQLQIEISA-N 0 0 199.338 2.927 10 0 AFAERN CCCN(C)C(=O)[C@H](C)C(CC)CC 677758264 486897497 /nfs/dbraw/zinc/89/74/97/486897497.db2.gz AAZHKQDXVLDBOR-SNVBAGLBSA-N 0 0 199.338 2.927 10 0 AFAERN COCCCOc1cc(C)cc(C)c1 88242814 486911020 /nfs/dbraw/zinc/91/10/20/486911020.db2.gz DANVTFPXJLVOCU-UHFFFAOYSA-N 0 0 194.274 2.719 10 0 AFAERN COCCCOc1cc(C)ccc1C 88242812 486911136 /nfs/dbraw/zinc/91/11/36/486911136.db2.gz DOZKJAHZFOBESS-UHFFFAOYSA-N 0 0 194.274 2.719 10 0 AFAERN CCCCCOc1c(C)nn(C)c1C 678032307 486911871 /nfs/dbraw/zinc/91/18/71/486911871.db2.gz JKDWYEAWCMQQDU-UHFFFAOYSA-N 0 0 196.294 2.606 10 0 AFAERN Cc1cn(CC2CCCCCC2)nn1 94201763 486912004 /nfs/dbraw/zinc/91/20/04/486912004.db2.gz AXQTWMCIFCRFPY-UHFFFAOYSA-N 0 0 193.294 2.557 10 0 AFAERN c1ccc(Cn2cc(C3CC3)cn2)cc1 96032732 486913010 /nfs/dbraw/zinc/91/30/10/486913010.db2.gz CVRXBYJYFFALSS-UHFFFAOYSA-N 0 0 198.269 2.809 10 0 AFAERN Cc1ccnc(-c2ccco2)c1 114691911 486925788 /nfs/dbraw/zinc/92/57/88/486925788.db2.gz HHEQJOYKWRZHBB-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN CC(C)CCNC(=O)[C@@H](C)CC(C)C 116685405 486926501 /nfs/dbraw/zinc/92/65/01/486926501.db2.gz ZLXVWIXOVLHZIW-NSHDSACASA-N 0 0 199.338 2.831 10 0 AFAERN Cc1ncccc1OCCC(C)C 116530847 486926584 /nfs/dbraw/zinc/92/65/84/486926584.db2.gz BZTXPZWTEFRTAK-UHFFFAOYSA-N 0 0 179.263 2.815 10 0 AFAERN CC(C)CCNC(=O)[C@H](C)CC(C)C 116685408 486926929 /nfs/dbraw/zinc/92/69/29/486926929.db2.gz ZLXVWIXOVLHZIW-LLVKDONJSA-N 0 0 199.338 2.831 10 0 AFAERN CCC(CC)(CC)NC(=O)C1=CCC1 678347303 486933146 /nfs/dbraw/zinc/93/31/46/486933146.db2.gz HFNDVSPQKBOHFT-UHFFFAOYSA-N 0 0 195.306 2.792 10 0 AFAERN CC(C)CC[C@H](C)NC(=O)C1=CCC1 678347076 486933510 /nfs/dbraw/zinc/93/35/10/486933510.db2.gz QDZJUJZIWTWJCN-JTQLQIEISA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)CC[C@@H](C)NC(=O)C1=CCC1 678347077 486933618 /nfs/dbraw/zinc/93/36/18/486933618.db2.gz QDZJUJZIWTWJCN-SNVBAGLBSA-N 0 0 195.306 2.648 10 0 AFAERN CCN(C(=O)C1=CCC1)[C@H](C)C(C)C 678349261 486934536 /nfs/dbraw/zinc/93/45/36/486934536.db2.gz LSKCNLIXTVUYKS-SNVBAGLBSA-N 0 0 195.306 2.600 10 0 AFAERN CCN(C(=O)C1=CCC1)[C@@H](C)C(C)C 678349259 486934777 /nfs/dbraw/zinc/93/47/77/486934777.db2.gz LSKCNLIXTVUYKS-JTQLQIEISA-N 0 0 195.306 2.600 10 0 AFAERN c1coc(-c2ccc3c(c2)OCO3)c1 142268828 486949227 /nfs/dbraw/zinc/94/92/27/486949227.db2.gz VZXRFUCEWVEFTG-UHFFFAOYSA-N 0 0 188.182 2.675 10 0 AFAERN CCC(C)(C)Nc1cc(C)nc(C)n1 135918101 486944146 /nfs/dbraw/zinc/94/41/46/486944146.db2.gz WWKGFEUPJCJMHP-UHFFFAOYSA-N 0 0 193.294 2.694 10 0 AFAERN CCC(C)(C)Nc1nc(C)cc(C)n1 135918149 486944172 /nfs/dbraw/zinc/94/41/72/486944172.db2.gz ZSWCFGNEKZQBAO-UHFFFAOYSA-N 0 0 193.294 2.694 10 0 AFAERN Cc1cc(-c2ccccc2C)n(C)n1 137239568 486946593 /nfs/dbraw/zinc/94/65/93/486946593.db2.gz RXVYTBVOYZBCET-UHFFFAOYSA-N 0 0 186.258 2.704 10 0 AFAERN C=Cc1ccccc1OCCOCC 138954817 486947064 /nfs/dbraw/zinc/94/70/64/486947064.db2.gz ARIHJNIUXPYYHW-UHFFFAOYSA-N 0 0 192.258 2.745 10 0 AFAERN CCC[C@@H](C)C[N@H+](C)Cc1ccon1 678832479 486947597 /nfs/dbraw/zinc/94/75/97/486947597.db2.gz JFPRFGXYOZHOFI-SNVBAGLBSA-N 0 0 196.294 2.543 10 0 AFAERN CCN(CC)C(=O)CCCC(C)C 140246709 486947649 /nfs/dbraw/zinc/94/76/49/486947649.db2.gz NEKOMKOPZPMQIM-UHFFFAOYSA-N 0 0 185.311 2.681 10 0 AFAERN CCC[C@H](C)C[N@H+](C)Cc1ccon1 678832478 486948362 /nfs/dbraw/zinc/94/83/62/486948362.db2.gz JFPRFGXYOZHOFI-JTQLQIEISA-N 0 0 196.294 2.543 10 0 AFAERN CCNC(=O)c1cccc(C(C)C)c1 143123425 486948885 /nfs/dbraw/zinc/94/88/85/486948885.db2.gz HCVSYRXVHJFSQS-UHFFFAOYSA-N 0 0 191.274 2.560 10 0 AFAERN CC(C)CCCC(=O)NCCC(C)C 143329047 486949790 /nfs/dbraw/zinc/94/97/90/486949790.db2.gz NYODGRLNVCGWBW-UHFFFAOYSA-N 0 0 199.338 2.975 10 0 AFAERN CC(C)(C)C(C)(C)NC(=O)C1CCC1 144501939 486950367 /nfs/dbraw/zinc/95/03/67/486950367.db2.gz RDCXLNOFEMFNBM-UHFFFAOYSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1nc2c(s1)CCC2(C)C 144558461 486950449 /nfs/dbraw/zinc/95/04/49/486950449.db2.gz GYJAVBHSCRGWKV-UHFFFAOYSA-N 0 0 167.277 2.675 10 0 AFAERN CCC(C)(C)CCOCc1ncc[nH]1 679008957 486951669 /nfs/dbraw/zinc/95/16/69/486951669.db2.gz RWOKPUGLXHXQIO-UHFFFAOYSA-N 0 0 196.294 2.753 10 0 AFAERN Cc1cccc(-c2ccco2)n1 146516494 486952534 /nfs/dbraw/zinc/95/25/34/486952534.db2.gz BWJOGXQUNXCUJF-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN CSCCC1CCCC1 147117646 486953636 /nfs/dbraw/zinc/95/36/36/486953636.db2.gz DFGCDWBORXWSPM-UHFFFAOYSA-N 0 0 144.283 2.930 10 0 AFAERN CC(C)CSC1CCC1 147187357 486953702 /nfs/dbraw/zinc/95/37/02/486953702.db2.gz DZYFHESRBJGUDZ-UHFFFAOYSA-N 0 0 144.283 2.928 10 0 AFAERN CC(C)(C)Cn1cc(C(C)(C)C)nn1 147042976 486953788 /nfs/dbraw/zinc/95/37/88/486953788.db2.gz QXXKWJYCHUJDIS-UHFFFAOYSA-N 0 0 195.310 2.622 10 0 AFAERN CCC(C)(C)CC(=O)N1CC=CCC1 679299363 486956569 /nfs/dbraw/zinc/95/65/69/486956569.db2.gz DTVLLVUERBIPFD-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN CC[C@H](C)C(=O)NC(C)(C)C(C)(C)C 148150840 486957722 /nfs/dbraw/zinc/95/77/22/486957722.db2.gz WHDTVVDOOGPNAH-VIFPVBQESA-N 0 0 199.338 2.973 10 0 AFAERN C=Cc1ccccc1OC[C@@H](C)OC 148146592 486958099 /nfs/dbraw/zinc/95/80/99/486958099.db2.gz MVDHRDKIAXWCAP-SNVBAGLBSA-N 0 0 192.258 2.743 10 0 AFAERN CC[C@@H](C)C(=O)NC(C)(C)C(C)(C)C 148150660 486958108 /nfs/dbraw/zinc/95/81/08/486958108.db2.gz WHDTVVDOOGPNAH-SECBINFHSA-N 0 0 199.338 2.973 10 0 AFAERN CCOC(=O)[C@@H]1C[C@H]1C1CCCCC1 147986193 486958293 /nfs/dbraw/zinc/95/82/93/486958293.db2.gz MIPCXROOZSRYOJ-WDEREUQCSA-N 0 0 196.290 2.766 10 0 AFAERN C=Cc1ccccc1OC[C@H](C)OC 148146369 486958320 /nfs/dbraw/zinc/95/83/20/486958320.db2.gz MVDHRDKIAXWCAP-JTQLQIEISA-N 0 0 192.258 2.743 10 0 AFAERN CCOC(=O)[C@@H]1C[C@@H]1C1CCCCC1 147985757 486958392 /nfs/dbraw/zinc/95/83/92/486958392.db2.gz MIPCXROOZSRYOJ-GHMZBOCLSA-N 0 0 196.290 2.766 10 0 AFAERN CCOC(=O)[C@H]1C[C@H]1C1CCCCC1 147986393 486958529 /nfs/dbraw/zinc/95/85/29/486958529.db2.gz MIPCXROOZSRYOJ-QWRGUYRKSA-N 0 0 196.290 2.766 10 0 AFAERN CCOC(=O)[C@H]1C[C@@H]1C1CCCCC1 147985982 486958647 /nfs/dbraw/zinc/95/86/47/486958647.db2.gz MIPCXROOZSRYOJ-MNOVXSKESA-N 0 0 196.290 2.766 10 0 AFAERN C=Cc1cscc1C 147982583 486958652 /nfs/dbraw/zinc/95/86/52/486958652.db2.gz HRCHQWMMVIFJFX-UHFFFAOYSA-N 0 0 124.208 2.700 10 0 AFAERN CCC(CC)Cn1nc(C)c(N)c1C 148976817 486960435 /nfs/dbraw/zinc/96/04/35/486960435.db2.gz LTPAMPSIKPIUQF-UHFFFAOYSA-N 0 0 195.310 2.518 10 0 AFAERN CC(C)CN(C(=O)C1=CCC1)C(C)C 679464541 486963120 /nfs/dbraw/zinc/96/31/20/486963120.db2.gz VTDVLSBIDMQPPH-UHFFFAOYSA-N 0 0 195.306 2.600 10 0 AFAERN CCCN(CC(C)C)C(=O)C1=CCC1 679464293 486963167 /nfs/dbraw/zinc/96/31/67/486963167.db2.gz NRGLHZOLCVEDPV-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN CC[C@@H](C)C[C@H](C)NC(=O)C1=CCC1 679476282 486963508 /nfs/dbraw/zinc/96/35/08/486963508.db2.gz JNSUQWWHDMNSQQ-ZJUUUORDSA-N 0 0 195.306 2.648 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N(C)CC1CC1 679468516 486963551 /nfs/dbraw/zinc/96/35/51/486963551.db2.gz UPEKVAISIWGEJO-UWVGGRQHSA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@H](C)C[C@@H](C)NC(=O)C1=CCC1 679476281 486963639 /nfs/dbraw/zinc/96/36/39/486963639.db2.gz JNSUQWWHDMNSQQ-VHSXEESVSA-N 0 0 195.306 2.648 10 0 AFAERN CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CC1(C)C 679467339 486963669 /nfs/dbraw/zinc/96/36/69/486963669.db2.gz ZNZVUTQVHHOGRN-IVZWLZJFSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)[C@@H](C)C(=O)N(C)CC1CC1 679468518 486963695 /nfs/dbraw/zinc/96/36/95/486963695.db2.gz UPEKVAISIWGEJO-VHSXEESVSA-N 0 0 197.322 2.537 10 0 AFAERN CCCN(C(=O)C1=CCC1)C(C)(C)C 679483725 486963702 /nfs/dbraw/zinc/96/37/02/486963702.db2.gz XECBKBYQTFDRFV-UHFFFAOYSA-N 0 0 195.306 2.744 10 0 AFAERN CC[C@H](C)C[C@H](C)NC(=O)C1=CCC1 679476280 486963715 /nfs/dbraw/zinc/96/37/15/486963715.db2.gz JNSUQWWHDMNSQQ-UWVGGRQHSA-N 0 0 195.306 2.648 10 0 AFAERN CC[C@@H](C)C[C@@H](C)NC(=O)C1=CCC1 679476279 486963732 /nfs/dbraw/zinc/96/37/32/486963732.db2.gz JNSUQWWHDMNSQQ-NXEZZACHSA-N 0 0 195.306 2.648 10 0 AFAERN CC[C@@H](C)[C@@H](C)C(=O)N(C)CC1CC1 679468515 486963747 /nfs/dbraw/zinc/96/37/47/486963747.db2.gz UPEKVAISIWGEJO-NXEZZACHSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)C(NC(=O)C1=CCC1)C(C)C 679485321 486963762 /nfs/dbraw/zinc/96/37/62/486963762.db2.gz LKFHOAYKTAAGFN-UHFFFAOYSA-N 0 0 195.306 2.503 10 0 AFAERN CC[C@@H](C)CN(CC)C(=O)C1=CCC1 679479774 486963789 /nfs/dbraw/zinc/96/37/89/486963789.db2.gz LKVZKJACKQSPKS-SNVBAGLBSA-N 0 0 195.306 2.601 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CC1(C)C 679467340 486963812 /nfs/dbraw/zinc/96/38/12/486963812.db2.gz ZNZVUTQVHHOGRN-LPEHRKFASA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)CN(CC)C(=O)C1=CCC1 679479773 486963937 /nfs/dbraw/zinc/96/39/37/486963937.db2.gz LKVZKJACKQSPKS-JTQLQIEISA-N 0 0 195.306 2.601 10 0 AFAERN CC[C@@H](C)[C@H](C)C(=O)N(C)CC1CC1 679468520 486964033 /nfs/dbraw/zinc/96/40/33/486964033.db2.gz UPEKVAISIWGEJO-ZJUUUORDSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)n1cc(OCC2CCC2)cn1 162103186 486980595 /nfs/dbraw/zinc/98/05/95/486980595.db2.gz XWBMLGPRAWEXAF-UHFFFAOYSA-N 0 0 194.278 2.643 10 0 AFAERN CC[C@@H](C)CCCCC(=O)N1CCC1 680176486 486980667 /nfs/dbraw/zinc/98/06/67/486980667.db2.gz HVYKXAAVQWDQKF-LLVKDONJSA-N 0 0 197.322 2.825 10 0 AFAERN CC(C)CCOc1cnn(C(C)C)c1 162102228 486980693 /nfs/dbraw/zinc/98/06/93/486980693.db2.gz BPDDQJSUOYCTBE-UHFFFAOYSA-N 0 0 196.294 2.889 10 0 AFAERN CC[C@@H](C)COc1cnn(C(C)C)c1 162102685 486980702 /nfs/dbraw/zinc/98/07/02/486980702.db2.gz WUNYACPNSJBZEK-SNVBAGLBSA-N 0 0 196.294 2.889 10 0 AFAERN CCCCOc1cnn(C(C)C)c1 162103716 486980944 /nfs/dbraw/zinc/98/09/44/486980944.db2.gz MMTPWMGTLGXTOD-UHFFFAOYSA-N 0 0 182.267 2.643 10 0 AFAERN CC[C@H](C)CCCCC(=O)N1CCC1 680176488 486981040 /nfs/dbraw/zinc/98/10/40/486981040.db2.gz HVYKXAAVQWDQKF-NSHDSACASA-N 0 0 197.322 2.825 10 0 AFAERN CC[C@H](C)COc1cnn(C(C)C)c1 162102796 486981369 /nfs/dbraw/zinc/98/13/69/486981369.db2.gz WUNYACPNSJBZEK-JTQLQIEISA-N 0 0 196.294 2.889 10 0 AFAERN CC(C)=CCOc1cnn(C(C)C)c1 162104495 486982187 /nfs/dbraw/zinc/98/21/87/486982187.db2.gz UVSGGPHUKZHDKD-UHFFFAOYSA-N 0 0 194.278 2.809 10 0 AFAERN CC(C)n1cc(OCCC2CC2)cn1 162105362 486982270 /nfs/dbraw/zinc/98/22/70/486982270.db2.gz BQAPLHHSADCYCA-UHFFFAOYSA-N 0 0 194.278 2.643 10 0 AFAERN CC[C@H]1CCC[C@H](CN2CC(F)C2)C1 680333581 486982788 /nfs/dbraw/zinc/98/27/88/486982788.db2.gz CKDGYELARVTPRU-QWRGUYRKSA-N 0 0 199.313 2.857 10 0 AFAERN CC[C@@H]1CCC[C@@H](CN2CC(F)C2)C1 680333579 486982813 /nfs/dbraw/zinc/98/28/13/486982813.db2.gz CKDGYELARVTPRU-GHMZBOCLSA-N 0 0 199.313 2.857 10 0 AFAERN CC[C@@H]1CCC[C@H](CN2CC(F)C2)C1 680333580 486983031 /nfs/dbraw/zinc/98/30/31/486983031.db2.gz CKDGYELARVTPRU-MNOVXSKESA-N 0 0 199.313 2.857 10 0 AFAERN CC1(C)CCC[C@@H](CN2CC(F)C2)C1 680335437 486983187 /nfs/dbraw/zinc/98/31/87/486983187.db2.gz ZYRAYMXYXBGVCU-SNVBAGLBSA-N 0 0 199.313 2.857 10 0 AFAERN CC[C@H]1CCC[C@@H](CN2CC(F)C2)C1 680333582 486983223 /nfs/dbraw/zinc/98/32/23/486983223.db2.gz CKDGYELARVTPRU-WDEREUQCSA-N 0 0 199.313 2.857 10 0 AFAERN CC1(C)CCC(CN2CC(F)C2)CC1 680333856 486983255 /nfs/dbraw/zinc/98/32/55/486983255.db2.gz GAKAPBYKJHSVDB-UHFFFAOYSA-N 0 0 199.313 2.857 10 0 AFAERN CC1(C)CCC[C@H](CN2CC(F)C2)C1 680335436 486983270 /nfs/dbraw/zinc/98/32/70/486983270.db2.gz ZYRAYMXYXBGVCU-JTQLQIEISA-N 0 0 199.313 2.857 10 0 AFAERN Cc1ccc(N[C@H](C)C(C)(C)C)nn1 162845856 486983871 /nfs/dbraw/zinc/98/38/71/486983871.db2.gz OVBQCMPOEDAHJE-SECBINFHSA-N 0 0 193.294 2.632 10 0 AFAERN C[C@@H]1C[C@@H]1c1noc(CCC2CC2)n1 680774494 486992544 /nfs/dbraw/zinc/99/25/44/486992544.db2.gz TVXZBNHONPLKOD-APPZFPTMSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@@H]1C[C@H]1c1noc(CCC2CC2)n1 680774497 486992553 /nfs/dbraw/zinc/99/25/53/486992553.db2.gz TVXZBNHONPLKOD-VXNVDRBHSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@H]1C[C@H]1c1noc(CCC2CC2)n1 680774496 486992641 /nfs/dbraw/zinc/99/26/41/486992641.db2.gz TVXZBNHONPLKOD-IONNQARKSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@H]1C[C@@H]1c1noc(CCC2CC2)n1 680774495 486992684 /nfs/dbraw/zinc/99/26/84/486992684.db2.gz TVXZBNHONPLKOD-CBAPKCEASA-N 0 0 192.262 2.536 10 0 AFAERN C[C@H](c1noc([C@H]2C[C@H]2C)n1)C1CC1 680791696 486993099 /nfs/dbraw/zinc/99/30/99/486993099.db2.gz VVZXRYULLPCJSF-FJXKBIBVSA-N 0 0 192.262 2.707 10 0 AFAERN C[C@H](c1noc(CC2CC2)n1)C1CC1 680790729 486993141 /nfs/dbraw/zinc/99/31/41/486993141.db2.gz DIONGYMOPNUZRJ-ZETCQYMHSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@@H](c1noc(C2CCC2)n1)C1CC1 680791535 486993199 /nfs/dbraw/zinc/99/31/99/486993199.db2.gz SNGNYGDCSSIHOC-SSDOTTSWSA-N 0 0 192.262 2.851 10 0 AFAERN C[C@@H](c1noc([C@@H]2C[C@H]2C)n1)C1CC1 680791697 486993256 /nfs/dbraw/zinc/99/32/56/486993256.db2.gz VVZXRYULLPCJSF-ZXFLCMHBSA-N 0 0 192.262 2.707 10 0 AFAERN C[C@@H](c1noc([C@H]2C[C@H]2C)n1)C1CC1 680791694 486993277 /nfs/dbraw/zinc/99/32/77/486993277.db2.gz VVZXRYULLPCJSF-BHNWBGBOSA-N 0 0 192.262 2.707 10 0 AFAERN C[C@H]1C[C@H]1c1noc([C@H]2CC2(C)C)n1 680774775 486993336 /nfs/dbraw/zinc/99/33/36/486993336.db2.gz XAJLEBTWEHTKIA-XLPZGREQSA-N 0 0 192.262 2.707 10 0 AFAERN C[C@H](c1noc(C2CCC2)n1)C1CC1 680791536 486993398 /nfs/dbraw/zinc/99/33/98/486993398.db2.gz SNGNYGDCSSIHOC-ZETCQYMHSA-N 0 0 192.262 2.851 10 0 AFAERN C[C@@H](c1noc(CC2CC2)n1)C1CC1 680790727 486993484 /nfs/dbraw/zinc/99/34/84/486993484.db2.gz DIONGYMOPNUZRJ-SSDOTTSWSA-N 0 0 192.262 2.536 10 0 AFAERN C[C@H](c1noc([C@@H]2C[C@H]2C)n1)C1CC1 680791695 486993502 /nfs/dbraw/zinc/99/35/02/486993502.db2.gz VVZXRYULLPCJSF-BKPPORCPSA-N 0 0 192.262 2.707 10 0 AFAERN C[C@@H]1C[C@H]1c1noc([C@H]2CC2(C)C)n1 680774773 486993536 /nfs/dbraw/zinc/99/35/36/486993536.db2.gz XAJLEBTWEHTKIA-BWZBUEFSSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)Cc1nc([C@@H](C)C2CC2)no1 680790787 486993550 /nfs/dbraw/zinc/99/35/50/486993550.db2.gz FSFJMYMVMBHFPX-QMMMGPOBSA-N 0 0 194.278 2.782 10 0 AFAERN CCCCc1nc([C@@H](C)C2CC2)no1 680791123 486993568 /nfs/dbraw/zinc/99/35/68/486993568.db2.gz JGKZVEKQVNSLGN-QMMMGPOBSA-N 0 0 194.278 2.926 10 0 AFAERN CCCCc1nc([C@H](C)C2CC2)no1 680791122 486993630 /nfs/dbraw/zinc/99/36/30/486993630.db2.gz JGKZVEKQVNSLGN-MRVPVSSYSA-N 0 0 194.278 2.926 10 0 AFAERN C[C@@H]1C[C@@H]1c1noc([C@H]2CC2(C)C)n1 680774774 486993636 /nfs/dbraw/zinc/99/36/36/486993636.db2.gz XAJLEBTWEHTKIA-GJMOJQLCSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)Cc1nc([C@H](C)C2CC2)no1 680790786 486993670 /nfs/dbraw/zinc/99/36/70/486993670.db2.gz FSFJMYMVMBHFPX-MRVPVSSYSA-N 0 0 194.278 2.782 10 0 AFAERN C[C@H]1C[C@@H]1c1noc([C@H]2CC2(C)C)n1 680774772 486993694 /nfs/dbraw/zinc/99/36/94/486993694.db2.gz XAJLEBTWEHTKIA-BIIVOSGPSA-N 0 0 192.262 2.707 10 0 AFAERN FCCCN1CCc2c(F)cccc21 680864512 486995030 /nfs/dbraw/zinc/99/50/30/486995030.db2.gz FMLBVEKQGHMVBY-UHFFFAOYSA-N 0 0 197.228 2.548 10 0 AFAERN CCC(CC)NC(=O)[C@H](C)CC(C)C 680882630 486995934 /nfs/dbraw/zinc/99/59/34/486995934.db2.gz KWMRPSFMDVOYQB-SNVBAGLBSA-N 0 0 199.338 2.973 10 0 AFAERN CC(C)C[C@H](C)C(=O)NC1CCCC1 680883080 486996210 /nfs/dbraw/zinc/99/62/10/486996210.db2.gz WTUQWHBKAQQOER-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN CCC(CC)NC(=O)[C@@H](C)CC(C)C 680882629 486996353 /nfs/dbraw/zinc/99/63/53/486996353.db2.gz KWMRPSFMDVOYQB-JTQLQIEISA-N 0 0 199.338 2.973 10 0 AFAERN CC(C)C[C@@H](C)C(=O)NC1CCCC1 680883081 486996736 /nfs/dbraw/zinc/99/67/36/486996736.db2.gz WTUQWHBKAQQOER-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)NC(=O)[C@H](C)CC(C)C 680883437 486997202 /nfs/dbraw/zinc/99/72/02/486997202.db2.gz SRWNGYOZGTYDTN-MNOVXSKESA-N 0 0 199.338 2.973 10 0 AFAERN CCC(C)(C)NC(=O)[C@@H](C)CC(C)C 680883384 486997208 /nfs/dbraw/zinc/99/72/08/486997208.db2.gz PSJHNIJUXISAPM-JTQLQIEISA-N 0 0 199.338 2.973 10 0 AFAERN CCC[C@@H](C)NC(=O)[C@H](C)CC(C)C 680883436 486997412 /nfs/dbraw/zinc/99/74/12/486997412.db2.gz SRWNGYOZGTYDTN-GHMZBOCLSA-N 0 0 199.338 2.973 10 0 AFAERN CCC[C@H](C)NC(=O)[C@@H](C)CC(C)C 680883438 486997758 /nfs/dbraw/zinc/99/77/58/486997758.db2.gz SRWNGYOZGTYDTN-QWRGUYRKSA-N 0 0 199.338 2.973 10 0 AFAERN CCC[C@@H](C)NC(=O)[C@@H](C)CC(C)C 680883439 486997838 /nfs/dbraw/zinc/99/78/38/486997838.db2.gz SRWNGYOZGTYDTN-WDEREUQCSA-N 0 0 199.338 2.973 10 0 AFAERN CCC(C)(C)NC(=O)[C@H](C)CC(C)C 680883385 486997848 /nfs/dbraw/zinc/99/78/48/486997848.db2.gz PSJHNIJUXISAPM-SNVBAGLBSA-N 0 0 199.338 2.973 10 0 AFAERN CCCCCNC(=O)[C@@H](C)CC(C)C 680883117 486997854 /nfs/dbraw/zinc/99/78/54/486997854.db2.gz ZMNXMCJOKGDOPJ-NSHDSACASA-N 0 0 199.338 2.975 10 0 AFAERN CCCCCNC(=O)[C@H](C)CC(C)C 680883116 486997925 /nfs/dbraw/zinc/99/79/25/486997925.db2.gz ZMNXMCJOKGDOPJ-LLVKDONJSA-N 0 0 199.338 2.975 10 0 AFAERN CSC[C@H](C)C(F)(F)F 197307948 487013458 /nfs/dbraw/zinc/01/34/58/487013458.db2.gz UNMMXOOCCJYLJJ-BYPYZUCNSA-N 0 0 158.188 2.548 10 0 AFAERN CCCN(CC)C(=O)[C@H](C)CC(C)C 680886214 486999593 /nfs/dbraw/zinc/99/95/93/486999593.db2.gz LIXRKPDCRODMES-LLVKDONJSA-N 0 0 199.338 2.927 10 0 AFAERN CC[C@H](C)N(C)C(=O)[C@H](C)CC(C)C 680886157 486999619 /nfs/dbraw/zinc/99/96/19/486999619.db2.gz GPUULZILFNZKAJ-MNOVXSKESA-N 0 0 199.338 2.926 10 0 AFAERN CC(C)C[C@H](C)C(=O)NCC1(C)CC1 680900223 486999738 /nfs/dbraw/zinc/99/97/38/486999738.db2.gz GZRRJERVMGQPAI-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@@H](C)C(=O)NCCC1CC1 680899852 486999805 /nfs/dbraw/zinc/99/98/05/486999805.db2.gz YSTDKWRBQHDIPX-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@@H](C)C(=O)NCC(C)(C)C 680890169 486999817 /nfs/dbraw/zinc/99/98/17/486999817.db2.gz CIIHYHXLWVBBJY-SNVBAGLBSA-N 0 0 199.338 2.831 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N(C)CC(C)C 680885912 486999909 /nfs/dbraw/zinc/99/99/09/486999909.db2.gz DKYMGQBIMHNQKB-LLVKDONJSA-N 0 0 199.338 2.783 10 0 AFAERN CCCCN(C)C(=O)[C@H](C)CC(C)C 680886852 486999914 /nfs/dbraw/zinc/99/99/14/486999914.db2.gz SNJWMGGLNQEZIZ-LLVKDONJSA-N 0 0 199.338 2.927 10 0 AFAERN CC(C)C[C@@H](C)C(=O)NCC1(C)CC1 680900224 486999938 /nfs/dbraw/zinc/99/99/38/486999938.db2.gz GZRRJERVMGQPAI-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N(C)CC1CC1 680887960 486999944 /nfs/dbraw/zinc/99/99/44/486999944.db2.gz RUXCDPJNYISOHR-SNVBAGLBSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)C[C@H](C)C(=O)NCCC1CC1 680899851 487000022 /nfs/dbraw/zinc/00/00/22/487000022.db2.gz YSTDKWRBQHDIPX-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@H](C)C(=O)NCC(C)(C)C 680890168 487000087 /nfs/dbraw/zinc/00/00/87/487000087.db2.gz CIIHYHXLWVBBJY-JTQLQIEISA-N 0 0 199.338 2.831 10 0 AFAERN CC[C@H](C)N(C)C(=O)[C@@H](C)CC(C)C 680886158 487000127 /nfs/dbraw/zinc/00/01/27/487000127.db2.gz GPUULZILFNZKAJ-QWRGUYRKSA-N 0 0 199.338 2.926 10 0 AFAERN CC(C)C[C@H](C)C(=O)N(C)CC(C)C 680885913 487000172 /nfs/dbraw/zinc/00/01/72/487000172.db2.gz DKYMGQBIMHNQKB-NSHDSACASA-N 0 0 199.338 2.783 10 0 AFAERN CC[C@@H](C)N(C)C(=O)[C@H](C)CC(C)C 680886156 487000258 /nfs/dbraw/zinc/00/02/58/487000258.db2.gz GPUULZILFNZKAJ-GHMZBOCLSA-N 0 0 199.338 2.926 10 0 AFAERN CCN(C(=O)[C@H](C)CC(C)C)C1CC1 680886863 487000263 /nfs/dbraw/zinc/00/02/63/487000263.db2.gz UBRJKTFYXNWYCS-SNVBAGLBSA-N 0 0 197.322 2.680 10 0 AFAERN CCCCN(C)C(=O)[C@@H](C)CC(C)C 680886853 487000290 /nfs/dbraw/zinc/00/02/90/487000290.db2.gz SNJWMGGLNQEZIZ-NSHDSACASA-N 0 0 199.338 2.927 10 0 AFAERN CCN(C(=O)[C@@H](C)CC(C)C)C1CC1 680886862 487000308 /nfs/dbraw/zinc/00/03/08/487000308.db2.gz UBRJKTFYXNWYCS-JTQLQIEISA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N(C)C1CCC1 680899845 487000356 /nfs/dbraw/zinc/00/03/56/487000356.db2.gz YKJYJEQMEMWCFH-SNVBAGLBSA-N 0 0 197.322 2.680 10 0 AFAERN CCCN(CC)C(=O)[C@@H](C)CC(C)C 680886215 487000373 /nfs/dbraw/zinc/00/03/73/487000373.db2.gz LIXRKPDCRODMES-NSHDSACASA-N 0 0 199.338 2.927 10 0 AFAERN CC(C)C[C@H](C)C(=O)N(C)CC1CC1 680887959 487000377 /nfs/dbraw/zinc/00/03/77/487000377.db2.gz RUXCDPJNYISOHR-JTQLQIEISA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)C[C@H](C)C(=O)NCC1CCC1 680888380 487000386 /nfs/dbraw/zinc/00/03/86/487000386.db2.gz WEEUVWVILQYIEO-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@H](C)C(=O)N(C)C1CCC1 680899844 487000430 /nfs/dbraw/zinc/00/04/30/487000430.db2.gz YKJYJEQMEMWCFH-JTQLQIEISA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H](C)N(C)C(=O)[C@@H](C)CC(C)C 680886159 487000481 /nfs/dbraw/zinc/00/04/81/487000481.db2.gz GPUULZILFNZKAJ-WDEREUQCSA-N 0 0 199.338 2.926 10 0 AFAERN CC(C)C[C@@H](C)C(=O)NCC1CCC1 680888381 487000490 /nfs/dbraw/zinc/00/04/90/487000490.db2.gz WEEUVWVILQYIEO-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)C[C@H](C)C(=O)NC1CC=CC1 680902290 487001137 /nfs/dbraw/zinc/00/11/37/487001137.db2.gz PHEORHDMVIDKLJ-JTQLQIEISA-N 0 0 195.306 2.503 10 0 AFAERN CC(C)C[C@@H](C)C(=O)NC1CC(C)C1 680930998 487001237 /nfs/dbraw/zinc/00/12/37/487001237.db2.gz ICNKWWXQWYRSBV-HSOILSAZSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)C[C@@H](C)C(=O)NC1(C)CCC1 680932211 487001262 /nfs/dbraw/zinc/00/12/62/487001262.db2.gz GGSCTGYHWDFMBA-SNVBAGLBSA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@@H](C)C(=O)NC1CC=CC1 680902292 487001369 /nfs/dbraw/zinc/00/13/69/487001369.db2.gz PHEORHDMVIDKLJ-SNVBAGLBSA-N 0 0 195.306 2.503 10 0 AFAERN CCCOc1cccnc1OC(C)C 680954145 487001433 /nfs/dbraw/zinc/00/14/33/487001433.db2.gz CKZJMMMPWHVDBL-UHFFFAOYSA-N 0 0 195.262 2.658 10 0 AFAERN CC(C)C[C@H](C)C(=O)NC1(C)CCC1 680932209 487001497 /nfs/dbraw/zinc/00/14/97/487001497.db2.gz GGSCTGYHWDFMBA-JTQLQIEISA-N 0 0 197.322 2.727 10 0 AFAERN CC(C)C[C@H](C)C(=O)NC1CC(C)C1 680930999 487001524 /nfs/dbraw/zinc/00/15/24/487001524.db2.gz ICNKWWXQWYRSBV-YVNMAJEFSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(CC)C(=O)N(C)CC1CC1 680996132 487002594 /nfs/dbraw/zinc/00/25/94/487002594.db2.gz 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487008400 /nfs/dbraw/zinc/00/84/00/487008400.db2.gz BNGQBPSFBYGBBH-SNAWJCMRSA-N 0 0 191.274 2.513 10 0 AFAERN CC/C=C\CCn1ccc(C)cc1=O 681093579 487008697 /nfs/dbraw/zinc/00/86/97/487008697.db2.gz BNGQBPSFBYGBBH-PLNGDYQASA-N 0 0 191.274 2.513 10 0 AFAERN CC[C@H](C)C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C 681097720 487009080 /nfs/dbraw/zinc/00/90/80/487009080.db2.gz HUMXLYLAMBLIFO-MMWGEVLESA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C 681097723 487009174 /nfs/dbraw/zinc/00/91/74/487009174.db2.gz HUMXLYLAMBLIFO-YTWAJWBKSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)C[C@H](C)NC(=O)[C@H]1C[C@@H]1C 681097722 487009381 /nfs/dbraw/zinc/00/93/81/487009381.db2.gz HUMXLYLAMBLIFO-RCWTZXSCSA-N 0 0 197.322 2.583 10 0 AFAERN CC(C)CC[C@@H](C)NC(=O)[C@H]1C[C@@H]1C 681101896 487009400 /nfs/dbraw/zinc/00/94/00/487009400.db2.gz SZPZGIYESUYHGW-AXFHLTTASA-N 0 0 197.322 2.583 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)N(C)[C@@H](C)C(C)(C)C 681110233 487009964 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/nfs/dbraw/zinc/01/42/51/487014251.db2.gz GFLCKSXBBJSDQH-WDEREUQCSA-N 0 0 197.322 2.585 10 0 AFAERN CCCCN(C)C(=O)[C@H]1C[C@H]1C(C)C 681223117 487014281 /nfs/dbraw/zinc/01/42/81/487014281.db2.gz VNEGHDLMWLSDAL-QWRGUYRKSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)CNC(=O)[C@H](C)CC(C)(C)C 681223153 487014288 /nfs/dbraw/zinc/01/42/88/487014288.db2.gz NMRWZTDXGRVPEV-SNVBAGLBSA-N 0 0 199.338 2.831 10 0 AFAERN CCCCN(C)C(=O)[C@@H]1C[C@H]1C(C)C 681223118 487014345 /nfs/dbraw/zinc/01/43/45/487014345.db2.gz VNEGHDLMWLSDAL-WDEREUQCSA-N 0 0 197.322 2.537 10 0 AFAERN CCC(CC)NC(=O)[C@H]1C[C@H]1C(C)C 681223088 487014369 /nfs/dbraw/zinc/01/43/69/487014369.db2.gz UULLSKJLTLGXFT-QWRGUYRKSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(CC)NC(=O)[C@@H]1C[C@H]1C(C)C 681223089 487014378 /nfs/dbraw/zinc/01/43/78/487014378.db2.gz UULLSKJLTLGXFT-WDEREUQCSA-N 0 0 197.322 2.583 10 0 AFAERN CCCCCNC(=O)[C@@H]1C[C@@H]1C(C)C 681222177 487014408 /nfs/dbraw/zinc/01/44/08/487014408.db2.gz GFLCKSXBBJSDQH-GHMZBOCLSA-N 0 0 197.322 2.585 10 0 AFAERN CCC[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(C)C 681221722 487014435 /nfs/dbraw/zinc/01/44/35/487014435.db2.gz HIURQHXELWNTRS-HBNTYKKESA-N 0 0 197.322 2.583 10 0 AFAERN C[C@@H](CC(C)(C)C)C(=O)NCC1CC1 681222467 487014449 /nfs/dbraw/zinc/01/44/49/487014449.db2.gz BDCWIUVWEUQTTG-VIFPVBQESA-N 0 0 197.322 2.585 10 0 AFAERN CCN(CC)C(=O)[C@H](C)CC(C)(C)C 681223219 487014491 /nfs/dbraw/zinc/01/44/91/487014491.db2.gz PNXKNNBCOXGFLG-SNVBAGLBSA-N 0 0 199.338 2.927 10 0 AFAERN C[C@H](CC(C)(C)C)C(=O)NCC1CC1 681222466 487014524 /nfs/dbraw/zinc/01/45/24/487014524.db2.gz BDCWIUVWEUQTTG-SECBINFHSA-N 0 0 197.322 2.585 10 0 AFAERN CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C(C)C 681221721 487014571 /nfs/dbraw/zinc/01/45/71/487014571.db2.gz HIURQHXELWNTRS-GARJFASQSA-N 0 0 197.322 2.583 10 0 AFAERN CCC[C@H](C)NC(=O)[C@H]1C[C@@H]1C(C)C 681221719 487014577 /nfs/dbraw/zinc/01/45/77/487014577.db2.gz HIURQHXELWNTRS-AXFHLTTASA-N 0 0 197.322 2.583 10 0 AFAERN CCC(CC)NC(=O)[C@@H]1C[C@@H]1C(C)C 681223086 487014594 /nfs/dbraw/zinc/01/45/94/487014594.db2.gz UULLSKJLTLGXFT-GHMZBOCLSA-N 0 0 197.322 2.583 10 0 AFAERN CCCN(CC)C(=O)[C@H]1C[C@@H]1C(C)C 681228206 487014896 /nfs/dbraw/zinc/01/48/96/487014896.db2.gz OZPDZXJEZIYQJO-MNOVXSKESA-N 0 0 197.322 2.537 10 0 AFAERN CC[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1C(C)C 681228749 487014928 /nfs/dbraw/zinc/01/49/28/487014928.db2.gz IYUJFJAIQNKTQO-AXFHLTTASA-N 0 0 197.322 2.535 10 0 AFAERN C[C@H](CC(C)(C)C)C(=O)N(C)C1CC1 681228383 487014932 /nfs/dbraw/zinc/01/49/32/487014932.db2.gz NNBAOYVHMZLYRM-SECBINFHSA-N 0 0 197.322 2.680 10 0 AFAERN CNc1cc(C)c(F)cc1Cl 205087247 487019974 /nfs/dbraw/zinc/01/99/74/487019974.db2.gz HKQOYZQTWYWSBX-UHFFFAOYSA-N 0 0 173.618 2.829 10 0 AFAERN C[C@@H](CC(C)(C)C)C(=O)N(C)C1CC1 681228384 487015010 /nfs/dbraw/zinc/01/50/10/487015010.db2.gz NNBAOYVHMZLYRM-VIFPVBQESA-N 0 0 197.322 2.680 10 0 AFAERN CCC(C)(C)NC(=O)[C@@H]1C[C@H]1C(C)C 681223540 487015018 /nfs/dbraw/zinc/01/50/18/487015018.db2.gz ZYAMPYXJYYLSHT-VHSXEESVSA-N 0 0 197.322 2.583 10 0 AFAERN CCCN(CC)C(=O)[C@@H]1C[C@H]1C(C)C 681228208 487015022 /nfs/dbraw/zinc/01/50/22/487015022.db2.gz OZPDZXJEZIYQJO-WDEREUQCSA-N 0 0 197.322 2.537 10 0 AFAERN CCCN(C)C(=O)[C@H](C)CC(C)(C)C 681227812 487015037 /nfs/dbraw/zinc/01/50/37/487015037.db2.gz RNIZFHXQONOVRJ-SNVBAGLBSA-N 0 0 199.338 2.927 10 0 AFAERN CCC(C)(C)NC(=O)[C@H]1C[C@@H]1C(C)C 681223541 487015060 /nfs/dbraw/zinc/01/50/60/487015060.db2.gz ZYAMPYXJYYLSHT-ZJUUUORDSA-N 0 0 197.322 2.583 10 0 AFAERN Cc1c2ccc(Cl)cc2nn1C 201720956 487017826 /nfs/dbraw/zinc/01/78/26/487017826.db2.gz RDMHYBARXSXOIY-UHFFFAOYSA-N 0 0 180.638 2.535 10 0 AFAERN CCCCNC(=O)[C@@H](C)CC(C)(C)C 681224099 487015223 /nfs/dbraw/zinc/01/52/23/487015223.db2.gz YJHAHCYPEZLZLY-JTQLQIEISA-N 0 0 199.338 2.975 10 0 AFAERN CCCN(CC)C(=O)[C@H]1C[C@H]1C(C)C 681228207 487015228 /nfs/dbraw/zinc/01/52/28/487015228.db2.gz OZPDZXJEZIYQJO-QWRGUYRKSA-N 0 0 197.322 2.537 10 0 AFAERN CCCCNC(=O)[C@H](C)CC(C)(C)C 681224100 487015253 /nfs/dbraw/zinc/01/52/53/487015253.db2.gz YJHAHCYPEZLZLY-SNVBAGLBSA-N 0 0 199.338 2.975 10 0 AFAERN CCCN(CC)C(=O)[C@@H]1C[C@@H]1C(C)C 681228205 487015342 /nfs/dbraw/zinc/01/53/42/487015342.db2.gz OZPDZXJEZIYQJO-GHMZBOCLSA-N 0 0 197.322 2.537 10 0 AFAERN CCC(C)(C)NC(=O)[C@H]1C[C@H]1C(C)C 681223539 487015359 /nfs/dbraw/zinc/01/53/59/487015359.db2.gz ZYAMPYXJYYLSHT-UWVGGRQHSA-N 0 0 197.322 2.583 10 0 AFAERN CCC(C)(C)NC(=O)[C@@H]1C[C@@H]1C(C)C 681223538 487015388 /nfs/dbraw/zinc/01/53/88/487015388.db2.gz ZYAMPYXJYYLSHT-NXEZZACHSA-N 0 0 197.322 2.583 10 0 AFAERN CCCN(C)C(=O)[C@@H](C)CC(C)(C)C 681227811 487015440 /nfs/dbraw/zinc/01/54/40/487015440.db2.gz RNIZFHXQONOVRJ-JTQLQIEISA-N 0 0 199.338 2.927 10 0 AFAERN CC(C)N(C)C(=O)[C@H](C)CC(C)(C)C 681232060 487015827 /nfs/dbraw/zinc/01/58/27/487015827.db2.gz HIAXSGOYIHZNSV-SNVBAGLBSA-N 0 0 199.338 2.926 10 0 AFAERN C[C@H](CC(C)(C)C)C(=O)NC1CCC1 681229418 487015846 /nfs/dbraw/zinc/01/58/46/487015846.db2.gz JREHKEKQAUVIPV-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CC[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C(C)C 681228750 487015855 /nfs/dbraw/zinc/01/58/55/487015855.db2.gz IYUJFJAIQNKTQO-DCAQKATOSA-N 0 0 197.322 2.535 10 0 AFAERN CC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1C(C)C 681228751 487015890 /nfs/dbraw/zinc/01/58/90/487015890.db2.gz IYUJFJAIQNKTQO-GARJFASQSA-N 0 0 197.322 2.535 10 0 AFAERN CC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1C(C)C 681228752 487015919 /nfs/dbraw/zinc/01/59/19/487015919.db2.gz IYUJFJAIQNKTQO-HBNTYKKESA-N 0 0 197.322 2.535 10 0 AFAERN CC(C)N(C)C(=O)[C@@H](C)CC(C)(C)C 681232059 487015922 /nfs/dbraw/zinc/01/59/22/487015922.db2.gz HIAXSGOYIHZNSV-JTQLQIEISA-N 0 0 199.338 2.926 10 0 AFAERN C[C@@H](CC(C)(C)C)C(=O)NC1CCC1 681229419 487015982 /nfs/dbraw/zinc/01/59/82/487015982.db2.gz JREHKEKQAUVIPV-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN C/C(=C1/OC(=O)[C@H]1C)c1ccccc1 200827859 487016798 /nfs/dbraw/zinc/01/67/98/487016798.db2.gz XFAWQXBGNUNFJB-ANHFWZFOSA-N 0 0 188.226 2.611 10 0 AFAERN CC(C)CSCC1CC1 201446056 487017206 /nfs/dbraw/zinc/01/72/06/487017206.db2.gz BDFXHFVOBFQOGI-UHFFFAOYSA-N 0 0 144.283 2.786 10 0 AFAERN C/C=N/N(CC)c1ccccc1 201730562 487017770 /nfs/dbraw/zinc/01/77/70/487017770.db2.gz ITXQVMLPBPUVJL-QDEBKDIKSA-N 0 0 162.236 2.519 10 0 AFAERN CCN(CC)C(=O)C(C)(C)C(C)(C)C 202556843 487018614 /nfs/dbraw/zinc/01/86/14/487018614.db2.gz DQSMMUQDFLAVOU-UHFFFAOYSA-N 0 0 199.338 2.927 10 0 AFAERN CC(C)CCCC(=O)N1CCCCC1 202707739 487018674 /nfs/dbraw/zinc/01/86/74/487018674.db2.gz GAWXIDIRUSNXBE-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CC(C)COCCSC(C)C 202776824 487018716 /nfs/dbraw/zinc/01/87/16/487018716.db2.gz CEALJWSXVUIWMY-UHFFFAOYSA-N 0 0 176.325 2.801 10 0 AFAERN CO[C@H](C)c1ccc([C@@H]2CCCO2)o1 205024313 487019763 /nfs/dbraw/zinc/01/97/63/487019763.db2.gz WIWQBTNIVKYROR-SCZZXKLOSA-N 0 0 196.246 2.839 10 0 AFAERN CO[C@H](C)c1ccc([C@H]2CCCO2)o1 205024342 487019890 /nfs/dbraw/zinc/01/98/90/487019890.db2.gz WIWQBTNIVKYROR-PSASIEDQSA-N 0 0 196.246 2.839 10 0 AFAERN Cc1ccc([C@]2(C)CCCO2)o1 205021980 487019898 /nfs/dbraw/zinc/01/98/98/487019898.db2.gz XYENZEWDWCRGSX-JTQLQIEISA-N 0 0 166.220 2.614 10 0 AFAERN Cc1ccc([C@@]2(C)CCCO2)o1 205022001 487019911 /nfs/dbraw/zinc/01/99/11/487019911.db2.gz XYENZEWDWCRGSX-SNVBAGLBSA-N 0 0 166.220 2.614 10 0 AFAERN CO[C@@H](C)c1ccc([C@H]2CCCO2)o1 205024330 487019937 /nfs/dbraw/zinc/01/99/37/487019937.db2.gz WIWQBTNIVKYROR-WCBMZHEXSA-N 0 0 196.246 2.839 10 0 AFAERN CO[C@@H](C)c1ccc([C@@H]2CCCO2)o1 205024297 487019945 /nfs/dbraw/zinc/01/99/45/487019945.db2.gz WIWQBTNIVKYROR-WPRPVWTQSA-N 0 0 196.246 2.839 10 0 AFAERN F[C@@H]1CCc2ccccc2C1 213760061 487023856 /nfs/dbraw/zinc/02/38/56/487023856.db2.gz FMHOLNUOIOYTAA-SNVBAGLBSA-N 0 0 150.196 2.513 10 0 AFAERN Cc1c(N)cccc1-c1cccnc1 214674406 487025715 /nfs/dbraw/zinc/02/57/15/487025715.db2.gz NDBSIYKAKZTRAW-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCN(CC)C(=O)C[C@H]1C=CCCC1 681640865 487028540 /nfs/dbraw/zinc/02/85/40/487028540.db2.gz GZHJXONWDMHSLS-NSHDSACASA-N 0 0 195.306 2.601 10 0 AFAERN CCN(CC)C(=O)C[C@@H]1C=CCCC1 681640864 487028611 /nfs/dbraw/zinc/02/86/11/487028611.db2.gz GZHJXONWDMHSLS-LLVKDONJSA-N 0 0 195.306 2.601 10 0 AFAERN CC(C)CC(=O)N[C@H](C)C(C)(C)C 223778056 487035589 /nfs/dbraw/zinc/03/55/89/487035589.db2.gz RCBBWKOJSYBUOX-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN Cc1ccc(-c2cn(C)nc2C)cc1 224251902 487038927 /nfs/dbraw/zinc/03/89/27/487038927.db2.gz NVAUELFNDPWPBH-UHFFFAOYSA-N 0 0 186.258 2.704 10 0 AFAERN CCCCN(C)C(=O)C1=CCCCC1 682078981 487044328 /nfs/dbraw/zinc/04/43/28/487044328.db2.gz AKWVAHBYARPYKI-UHFFFAOYSA-N 0 0 195.306 2.745 10 0 AFAERN CC(C)C(C)(C)CNC(=O)C1=CCC1 682110173 487046723 /nfs/dbraw/zinc/04/67/23/487046723.db2.gz SULARZQFDJOQOM-UHFFFAOYSA-N 0 0 195.306 2.505 10 0 AFAERN Cc1cc(OCCC(C)(C)C)nn1C 682153815 487048275 /nfs/dbraw/zinc/04/82/75/487048275.db2.gz GMGABDUUWHCBPC-UHFFFAOYSA-N 0 0 196.294 2.544 10 0 AFAERN CC(C)C(C)(C)C(=O)N(C)CC1CC1 682199138 487051091 /nfs/dbraw/zinc/05/10/91/487051091.db2.gz VCAMCPRLNAULFD-UHFFFAOYSA-N 0 0 197.322 2.537 10 0 AFAERN CC1=CCC[C@H](C)[C@@H]1CN1CC(F)C1 682406137 487054734 /nfs/dbraw/zinc/05/47/34/487054734.db2.gz BBPLAEKKMYGNGB-CMPLNLGQSA-N 0 0 197.297 2.633 10 0 AFAERN CC1=CCC[C@H](C)[C@H]1CN1CC(F)C1 682406138 487054870 /nfs/dbraw/zinc/05/48/70/487054870.db2.gz BBPLAEKKMYGNGB-JQWIXIFHSA-N 0 0 197.297 2.633 10 0 AFAERN CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C 682423876 487055682 /nfs/dbraw/zinc/05/56/82/487055682.db2.gz HUMXLYLAMBLIFO-GWOFURMSSA-N 0 0 197.322 2.583 10 0 AFAERN CC1=CCC[C@@H](C)[C@H]1CN1CC(F)C1 682406139 487055699 /nfs/dbraw/zinc/05/56/99/487055699.db2.gz BBPLAEKKMYGNGB-PWSUYJOCSA-N 0 0 197.297 2.633 10 0 AFAERN c1ccc(-c2ccc3c(c2)CCO3)nc1 682413698 487055775 /nfs/dbraw/zinc/05/57/75/487055775.db2.gz MKMPDNRVAGIZLR-UHFFFAOYSA-N 0 0 197.237 2.684 10 0 AFAERN CC[C@@H](C)CN(CC)C(=O)[C@@H]1C[C@H]1C 682423553 487055824 /nfs/dbraw/zinc/05/58/24/487055824.db2.gz OYCZNKVYEGEZAE-GMTAPVOTSA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C 682419720 487055848 /nfs/dbraw/zinc/05/58/48/487055848.db2.gz SZPZGIYESUYHGW-GMTAPVOTSA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1C 682423875 487056031 /nfs/dbraw/zinc/05/60/31/487056031.db2.gz HUMXLYLAMBLIFO-CHWFTXMASA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C 682423878 487056064 /nfs/dbraw/zinc/05/60/64/487056064.db2.gz HUMXLYLAMBLIFO-LNFKQOIKSA-N 0 0 197.322 2.583 10 0 AFAERN CC1=CCC[C@@H](C)[C@@H]1CN1CC(F)C1 682406140 487056139 /nfs/dbraw/zinc/05/61/39/487056139.db2.gz BBPLAEKKMYGNGB-ZYHUDNBSSA-N 0 0 197.297 2.633 10 0 AFAERN Cc1ccc(CN[C@@H](C)C(F)F)cc1 228481560 487058156 /nfs/dbraw/zinc/05/81/56/487058156.db2.gz XBMFCYNVHRFYON-VIFPVBQESA-N 0 0 199.244 2.738 10 0 AFAERN C[C@H](N[C@H](C)c1ccco1)C(F)F 228488244 487058178 /nfs/dbraw/zinc/05/81/78/487058178.db2.gz NMBWGHPAQPURMN-RQJHMYQMSA-N 0 0 189.205 2.584 10 0 AFAERN Cc1ccccc1CN[C@H](C)C(F)F 228504938 487058327 /nfs/dbraw/zinc/05/83/27/487058327.db2.gz DAGBABLVMLBHDO-SECBINFHSA-N 0 0 199.244 2.738 10 0 AFAERN Cc1cccc(CN[C@@H](C)C(F)F)c1 228484147 487058401 /nfs/dbraw/zinc/05/84/01/487058401.db2.gz XXYWAFNYCKGARZ-VIFPVBQESA-N 0 0 199.244 2.738 10 0 AFAERN C[C@H](N[C@H](C)C(F)F)c1ccccc1 228477314 487058436 /nfs/dbraw/zinc/05/84/36/487058436.db2.gz GCMMEACLSPGNPK-DTWKUNHWSA-N 0 0 199.244 2.991 10 0 AFAERN Cc1ccc(CN[C@H](C)C(F)F)cc1 228481565 487058445 /nfs/dbraw/zinc/05/84/45/487058445.db2.gz XBMFCYNVHRFYON-SECBINFHSA-N 0 0 199.244 2.738 10 0 AFAERN C[C@H](N[C@H](C)C(F)F)c1ccco1 228488273 487058463 /nfs/dbraw/zinc/05/84/63/487058463.db2.gz NMBWGHPAQPURMN-NKWVEPMBSA-N 0 0 189.205 2.584 10 0 AFAERN Cc1cccc(CN[C@H](C)C(F)F)c1 228484155 487058589 /nfs/dbraw/zinc/05/85/89/487058589.db2.gz XXYWAFNYCKGARZ-SECBINFHSA-N 0 0 199.244 2.738 10 0 AFAERN Cc1ccccc1CN[C@@H](C)C(F)F 228504929 487058599 /nfs/dbraw/zinc/05/85/99/487058599.db2.gz DAGBABLVMLBHDO-VIFPVBQESA-N 0 0 199.244 2.738 10 0 AFAERN C[C@H](N[C@@H](C)C(F)F)c1ccccc1 228477298 487058683 /nfs/dbraw/zinc/05/86/83/487058683.db2.gz GCMMEACLSPGNPK-IUCAKERBSA-N 0 0 199.244 2.991 10 0 AFAERN C[C@@H](N[C@H](C)C(F)F)c1ccccc1 228477307 487058808 /nfs/dbraw/zinc/05/88/08/487058808.db2.gz GCMMEACLSPGNPK-RKDXNWHRSA-N 0 0 199.244 2.991 10 0 AFAERN C[C@H](N[C@@H](C)C(F)F)c1ccco1 228488253 487058863 /nfs/dbraw/zinc/05/88/63/487058863.db2.gz NMBWGHPAQPURMN-BQBZGAKWSA-N 0 0 189.205 2.584 10 0 AFAERN C[C@@H](N[C@H](C)C(F)F)c1ccco1 228488263 487059041 /nfs/dbraw/zinc/05/90/41/487059041.db2.gz NMBWGHPAQPURMN-RNFRBKRXSA-N 0 0 189.205 2.584 10 0 AFAERN C[C@H](N[C@H](C)c1ccccc1)C(F)F 228477288 487059077 /nfs/dbraw/zinc/05/90/77/487059077.db2.gz GCMMEACLSPGNPK-BDAKNGLRSA-N 0 0 199.244 2.991 10 0 AFAERN C=C/C(C)=C\CC(=O)NCCCCC 682691736 487066764 /nfs/dbraw/zinc/06/67/64/487066764.db2.gz YWWFCRVPIMYLKQ-FLIBITNWSA-N 0 0 195.306 2.815 10 0 AFAERN CC[C@H](C)C[NH2+][C@@H](C)c1cscn1 229127975 487063753 /nfs/dbraw/zinc/06/37/53/487063753.db2.gz UQXCGIAIPCJMQD-IUCAKERBSA-N 0 0 198.335 2.840 10 0 AFAERN CC[C@@H](C)C[NH2+][C@@H](C)c1cscn1 229127968 487064064 /nfs/dbraw/zinc/06/40/64/487064064.db2.gz UQXCGIAIPCJMQD-BDAKNGLRSA-N 0 0 198.335 2.840 10 0 AFAERN CC[C@@H](C)C[NH2+][C@H](C)c1cscn1 229127986 487064120 /nfs/dbraw/zinc/06/41/20/487064120.db2.gz UQXCGIAIPCJMQD-RKDXNWHRSA-N 0 0 198.335 2.840 10 0 AFAERN CC[C@H](C)C[NH2+][C@H](C)c1cscn1 229127997 487064491 /nfs/dbraw/zinc/06/44/91/487064491.db2.gz UQXCGIAIPCJMQD-DTWKUNHWSA-N 0 0 198.335 2.840 10 0 AFAERN C=C/C(C)=C/CC(=O)NC1CCCC1 682692513 487066116 /nfs/dbraw/zinc/06/61/16/487066116.db2.gz NVNUDBIPHJATDH-CSKARUKUSA-N 0 0 193.290 2.568 10 0 AFAERN C=C/C(C)=C/CC(=O)NC(CC)CC 682692460 487066257 /nfs/dbraw/zinc/06/62/57/487066257.db2.gz KAVCRDLMJJLQJX-CSKARUKUSA-N 0 0 195.306 2.814 10 0 AFAERN C=C/C(C)=C/CC(=O)NCCCCC 682691728 487066394 /nfs/dbraw/zinc/06/63/94/487066394.db2.gz YWWFCRVPIMYLKQ-DHZHZOJOSA-N 0 0 195.306 2.815 10 0 AFAERN C=C/C(C)=C\CC(=O)NC(CC)CC 682692461 487066658 /nfs/dbraw/zinc/06/66/58/487066658.db2.gz KAVCRDLMJJLQJX-NTMALXAHSA-N 0 0 195.306 2.814 10 0 AFAERN CCCCCC(=O)N1CCCCCO1 682677918 487066804 /nfs/dbraw/zinc/06/68/04/487066804.db2.gz WXBWJEOBKXDADR-UHFFFAOYSA-N 0 0 199.294 2.511 10 0 AFAERN C=C/C(C)=C\CC(=O)NCCC(C)C 682692773 487067394 /nfs/dbraw/zinc/06/73/94/487067394.db2.gz WIVKGDUVERERFS-WDZFZDKYSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C(C)=C\CC(=O)NC1(C)CCC1 682696361 487067074 /nfs/dbraw/zinc/06/70/74/487067074.db2.gz JSYFWRQFOXVQIC-POHAHGRESA-N 0 0 193.290 2.568 10 0 AFAERN C=C/C(C)=C\CC(=O)N(C)C1CCC1 682695866 487067246 /nfs/dbraw/zinc/06/72/46/487067246.db2.gz WTXLWGZKMYMOKO-NTMALXAHSA-N 0 0 193.290 2.520 10 0 AFAERN C=C/C(C)=C/CC(=O)NCCC(C)C 682692772 487067287 /nfs/dbraw/zinc/06/72/87/487067287.db2.gz WIVKGDUVERERFS-IZZDOVSWSA-N 0 0 195.306 2.671 10 0 AFAERN C=C/C(C)=C/CC(=O)NC1(C)CCC1 682696362 487067316 /nfs/dbraw/zinc/06/73/16/487067316.db2.gz JSYFWRQFOXVQIC-UXBLZVDNSA-N 0 0 193.290 2.568 10 0 AFAERN C=C/C(C)=C\CC(=O)NC1CCCC1 682692514 487067434 /nfs/dbraw/zinc/06/74/34/487067434.db2.gz NVNUDBIPHJATDH-NTMALXAHSA-N 0 0 193.290 2.568 10 0 AFAERN C=C/C(C)=C/CC(=O)N(C)C1CCC1 682695865 487067575 /nfs/dbraw/zinc/06/75/75/487067575.db2.gz WTXLWGZKMYMOKO-CSKARUKUSA-N 0 0 193.290 2.520 10 0 AFAERN Cc1ccccc1COc1ccncc1 682804083 487071171 /nfs/dbraw/zinc/07/11/71/487071171.db2.gz FZNPGHWKDQAKJQ-UHFFFAOYSA-N 0 0 199.253 2.969 10 0 AFAERN C=C/C(C)=C/CC(=O)NC(C)(C)CC 682828727 487071806 /nfs/dbraw/zinc/07/18/06/487071806.db2.gz WACDWRFDHHSDJF-CSKARUKUSA-N 0 0 195.306 2.814 10 0 AFAERN C=C/C(C)=C\CC(=O)NC(C)(C)CC 682828728 487072232 /nfs/dbraw/zinc/07/22/32/487072232.db2.gz WACDWRFDHHSDJF-NTMALXAHSA-N 0 0 195.306 2.814 10 0 AFAERN CC[C@@H](C)CC(=O)NC[C@H](C)C(C)C 682903426 487074024 /nfs/dbraw/zinc/07/40/24/487074024.db2.gz QCGGBHMFCSNJSI-MNOVXSKESA-N 0 0 199.338 2.831 10 0 AFAERN CC[C@H](C)CC(=O)NCC1(C)CCC1 682914640 487074047 /nfs/dbraw/zinc/07/40/47/487074047.db2.gz APEYIYWUZOIGBM-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CC[C@H](C)CC(=O)NC[C@H](C)C(C)C 682903428 487074123 /nfs/dbraw/zinc/07/41/23/487074123.db2.gz QCGGBHMFCSNJSI-QWRGUYRKSA-N 0 0 199.338 2.831 10 0 AFAERN CC[C@H](C)CC(=O)NCCCC1CC1 682903523 487074127 /nfs/dbraw/zinc/07/41/27/487074127.db2.gz GPKWANMWXRIWSL-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CC[C@H](C)CC(=O)NC1(CC)CCC1 682914109 487074183 /nfs/dbraw/zinc/07/41/83/487074183.db2.gz ZJVOZZKLNALRNR-JTQLQIEISA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@@H](C)CC(=O)NCCCC1CC1 682903524 487074197 /nfs/dbraw/zinc/07/41/97/487074197.db2.gz GPKWANMWXRIWSL-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CC[C@@H](C)CC(=O)NCC1(C)CCC1 682914641 487074226 /nfs/dbraw/zinc/07/42/26/487074226.db2.gz APEYIYWUZOIGBM-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CC[C@@H](C)CC(=O)NC1(CC)CCC1 682914110 487074357 /nfs/dbraw/zinc/07/43/57/487074357.db2.gz ZJVOZZKLNALRNR-SNVBAGLBSA-N 0 0 197.322 2.872 10 0 AFAERN CC[C@H](C)CC(=O)NC[C@@H](C)C(C)C 682903429 487074376 /nfs/dbraw/zinc/07/43/76/487074376.db2.gz QCGGBHMFCSNJSI-WDEREUQCSA-N 0 0 199.338 2.831 10 0 AFAERN CC[C@@H](C)CC(=O)NC[C@@H](C)C(C)C 682903425 487074487 /nfs/dbraw/zinc/07/44/87/487074487.db2.gz QCGGBHMFCSNJSI-GHMZBOCLSA-N 0 0 199.338 2.831 10 0 AFAERN CC(C)=CCNC(=O)[C@H](C)CC(C)C 682953858 487076786 /nfs/dbraw/zinc/07/67/86/487076786.db2.gz WBLRAZZIROXUQP-LLVKDONJSA-N 0 0 197.322 2.751 10 0 AFAERN CC(C)=CCNC(=O)[C@@H](C)CC(C)C 682953859 487076827 /nfs/dbraw/zinc/07/68/27/487076827.db2.gz WBLRAZZIROXUQP-NSHDSACASA-N 0 0 197.322 2.751 10 0 AFAERN CC(C)[C@@H](C)CNC(=O)CC1(C)CC1 683190004 487085995 /nfs/dbraw/zinc/08/59/95/487085995.db2.gz PURJUDSVMSTACF-JTQLQIEISA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)[C@H](C)CNC(=O)CC1(C)CC1 683190005 487086256 /nfs/dbraw/zinc/08/62/56/487086256.db2.gz PURJUDSVMSTACF-SNVBAGLBSA-N 0 0 197.322 2.585 10 0 AFAERN CCC(C)(CC)NC(=O)CC1(C)CC1 683201481 487086391 /nfs/dbraw/zinc/08/63/91/487086391.db2.gz CHZLMNAWNBMQTA-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CCC1(NC(=O)CC2(C)CC2)CCC1 683206808 487087257 /nfs/dbraw/zinc/08/72/57/487087257.db2.gz KNEXVSWNHZJNNV-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN C[C@@H]([N@H+](C)Cc1cocn1)C(C)(C)C 683351146 487087913 /nfs/dbraw/zinc/08/79/13/487087913.db2.gz VWUMBAJZKMIYNJ-SECBINFHSA-N 0 0 196.294 2.541 10 0 AFAERN CC(C)C[N@H+](Cc1cocn1)C(C)C 683350389 487088002 /nfs/dbraw/zinc/08/80/02/487088002.db2.gz HOHFBLNZMJGLEC-UHFFFAOYSA-N 0 0 196.294 2.541 10 0 AFAERN CCCCC(=O)N[C@@H]1CC12CCCC2 683254977 487088131 /nfs/dbraw/zinc/08/81/31/487088131.db2.gz OQSZWMHSVPUKNP-SNVBAGLBSA-N 0 0 195.306 2.626 10 0 AFAERN C[C@H]([N@H+](C)Cc1cocn1)C(C)(C)C 683351147 487088184 /nfs/dbraw/zinc/08/81/84/487088184.db2.gz VWUMBAJZKMIYNJ-VIFPVBQESA-N 0 0 196.294 2.541 10 0 AFAERN CCC[N@@H+](Cc1cocn1)CC(C)C 683350183 487088295 /nfs/dbraw/zinc/08/82/95/487088295.db2.gz AKDSMYXONMZGBP-UHFFFAOYSA-N 0 0 196.294 2.543 10 0 AFAERN Cc1cc(OCCCC(C)C)nn1C 683330123 487088384 /nfs/dbraw/zinc/08/83/84/487088384.db2.gz GUFRTVXRJVTANH-UHFFFAOYSA-N 0 0 196.294 2.544 10 0 AFAERN CCCCC(=O)N[C@H]1CC12CCCC2 683254976 487088427 /nfs/dbraw/zinc/08/84/27/487088427.db2.gz OQSZWMHSVPUKNP-JTQLQIEISA-N 0 0 195.306 2.626 10 0 AFAERN CC[C@@H](C)C[N@H+](CC)Cc1cocn1 683351884 487088986 /nfs/dbraw/zinc/08/89/86/487088986.db2.gz SIABNILAHKVUIO-SNVBAGLBSA-N 0 0 196.294 2.543 10 0 AFAERN CC[C@H](C)C[N@H+](CC)Cc1cocn1 683351883 487089601 /nfs/dbraw/zinc/08/96/01/487089601.db2.gz SIABNILAHKVUIO-JTQLQIEISA-N 0 0 196.294 2.543 10 0 AFAERN C=C/C(C)=C\CC(=O)N(C)CC(C)C 683376354 487090367 /nfs/dbraw/zinc/09/03/67/487090367.db2.gz NJWVTQXRSXVSNA-XFFZJAGNSA-N 0 0 195.306 2.623 10 0 AFAERN C=C/C(C)=C/CC(=O)N(C)CC(C)C 683376355 487090778 /nfs/dbraw/zinc/09/07/78/487090778.db2.gz NJWVTQXRSXVSNA-YRNVUSSQSA-N 0 0 195.306 2.623 10 0 AFAERN CCCC(C)(C)CC(=O)N(C)C1CC1 683736619 487095483 /nfs/dbraw/zinc/09/54/83/487095483.db2.gz RKVUQJBOZRWYDK-UHFFFAOYSA-N 0 0 197.322 2.824 10 0 AFAERN CCCC(C)(C)CC(=O)NCC(C)C 683728207 487095762 /nfs/dbraw/zinc/09/57/62/487095762.db2.gz PJLGIDNDKGEQQY-UHFFFAOYSA-N 0 0 199.338 2.975 10 0 AFAERN CCCC(C)(C)CC(=O)NCC1CC1 683734782 487095795 /nfs/dbraw/zinc/09/57/95/487095795.db2.gz QACDZPAZZUUAFU-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCCC(C)(C)CC(=O)N1CCCC1 683757606 487096489 /nfs/dbraw/zinc/09/64/89/487096489.db2.gz ZUVASUIRBRUQTD-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CCCC(C)(C)CC(=O)NC1CCC1 683760185 487096585 /nfs/dbraw/zinc/09/65/85/487096585.db2.gz FFUUSUOHGCOPMQ-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CCCOc1cccc(CCOC)c1 683738474 487096814 /nfs/dbraw/zinc/09/68/14/487096814.db2.gz FEAYSRIPQYQHFX-UHFFFAOYSA-N 0 0 194.274 2.664 10 0 AFAERN CCCCC(=O)N(C)C1(C)CCCC1 683812478 487099032 /nfs/dbraw/zinc/09/90/32/487099032.db2.gz CHUIHQGFMFCCAM-UHFFFAOYSA-N 0 0 197.322 2.968 10 0 AFAERN CN(C(=O)C1CCC1)C1(C)CCCC1 683812744 487099129 /nfs/dbraw/zinc/09/91/29/487099129.db2.gz MUMPRMJFZFONBA-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN CCCC(CCC)C(=O)N1CC(C)C1 683905533 487104547 /nfs/dbraw/zinc/10/45/47/487104547.db2.gz CEVFVZPNPXGNOY-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCC[C@@H](C(=O)N1CC(C)C1)C(C)C 683905779 487104899 /nfs/dbraw/zinc/10/48/99/487104899.db2.gz GQAZMOXFPLZJOI-LLVKDONJSA-N 0 0 197.322 2.537 10 0 AFAERN CCC[C@H](C(=O)N1CC(C)C1)C(C)C 683905781 487105113 /nfs/dbraw/zinc/10/51/13/487105113.db2.gz GQAZMOXFPLZJOI-NSHDSACASA-N 0 0 197.322 2.537 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N1CC(C)(C)C1 684083540 487106836 /nfs/dbraw/zinc/10/68/36/487106836.db2.gz VIZTWTSQCLNPFW-SNVBAGLBSA-N 0 0 197.322 2.537 10 0 AFAERN Cc1cc(N)cc(NCC2(C)CC2)c1 235883231 487107000 /nfs/dbraw/zinc/10/70/00/487107000.db2.gz YJKFJRCRFHLHEX-UHFFFAOYSA-N 0 0 190.290 2.789 10 0 AFAERN CC(C)C[C@H](C)C(=O)N1CC(C)(C)C1 684083539 487107036 /nfs/dbraw/zinc/10/70/36/487107036.db2.gz VIZTWTSQCLNPFW-JTQLQIEISA-N 0 0 197.322 2.537 10 0 AFAERN CC(=O)Nc1ccc(C)c(C)c1Cl 238080758 487108211 /nfs/dbraw/zinc/10/82/11/487108211.db2.gz UOUJVUDZYFCXMX-UHFFFAOYSA-N 0 0 197.665 2.915 10 0 AFAERN FC1(CN2CCc3ccccc32)CC1 684368972 487119336 /nfs/dbraw/zinc/11/93/36/487119336.db2.gz OUZXDGQTDBODAB-UHFFFAOYSA-N 0 0 191.249 2.551 10 0 AFAERN CCOc1ccc(OC2CC2)cc1 238279622 487109537 /nfs/dbraw/zinc/10/95/37/487109537.db2.gz ZBBMLVYSGABYDP-UHFFFAOYSA-N 0 0 178.231 2.627 10 0 AFAERN CCC(CC)C(=O)NC1(CC)CCC1 684163864 487109948 /nfs/dbraw/zinc/10/99/48/487109948.db2.gz VIHMBPHRJZRCAJ-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN Cc1cnc([C@H](C)N2[C@@H](C)C[C@@H]2C)o1 684209085 487112708 /nfs/dbraw/zinc/11/27/08/487112708.db2.gz XYEDJYMCFMZMSK-NRPADANISA-N 0 0 194.278 2.527 10 0 AFAERN Cc1cnc([C@@H](C)N2[C@@H](C)C[C@H]2C)o1 684209083 487112748 /nfs/dbraw/zinc/11/27/48/487112748.db2.gz XYEDJYMCFMZMSK-KHQFGBGNSA-N 0 0 194.278 2.527 10 0 AFAERN Cc1cnc([C@H](C)N2[C@@H](C)C[C@H]2C)o1 684209086 487113295 /nfs/dbraw/zinc/11/32/95/487113295.db2.gz XYEDJYMCFMZMSK-XKSSXDPKSA-N 0 0 194.278 2.527 10 0 AFAERN Cc1cnc([C@H](C)N2[C@H](C)C[C@H]2C)o1 684209084 487113309 /nfs/dbraw/zinc/11/33/09/487113309.db2.gz XYEDJYMCFMZMSK-MRTMQBJTSA-N 0 0 194.278 2.527 10 0 AFAERN CCC(CC)CC(=O)N1[C@H](C)C[C@H]1C 684333466 487116613 /nfs/dbraw/zinc/11/66/13/487116613.db2.gz BDRMGTQBIZXAGJ-NXEZZACHSA-N 0 0 197.322 2.822 10 0 AFAERN CCC(C)(CC)C(=O)N1[C@H](C)C[C@H]1C 684333785 487116663 /nfs/dbraw/zinc/11/66/63/487116663.db2.gz HNZXQWRYOAOUPH-NXEZZACHSA-N 0 0 197.322 2.822 10 0 AFAERN CCC[C@@H](C)CC(=O)N1[C@@H](C)C[C@H]1C 684333549 487116701 /nfs/dbraw/zinc/11/67/01/487116701.db2.gz CGIVLSACIGVDQV-MXWKQRLJSA-N 0 0 197.322 2.822 10 0 AFAERN CCC(C)(CC)C(=O)N1[C@@H](C)C[C@H]1C 684333784 487116723 /nfs/dbraw/zinc/11/67/23/487116723.db2.gz HNZXQWRYOAOUPH-AOOOYVTPSA-N 0 0 197.322 2.822 10 0 AFAERN CCC(C)(CC)C(=O)N1[C@@H](C)C[C@@H]1C 684333786 487116747 /nfs/dbraw/zinc/11/67/47/487116747.db2.gz HNZXQWRYOAOUPH-UWVGGRQHSA-N 0 0 197.322 2.822 10 0 AFAERN CCC[C@H](C)CC(=O)N1[C@@H](C)C[C@H]1C 684333547 487116766 /nfs/dbraw/zinc/11/67/66/487116766.db2.gz CGIVLSACIGVDQV-GARJFASQSA-N 0 0 197.322 2.822 10 0 AFAERN CCC(CC)CC(=O)N1[C@@H](C)C[C@H]1C 684333465 487116810 /nfs/dbraw/zinc/11/68/10/487116810.db2.gz BDRMGTQBIZXAGJ-AOOOYVTPSA-N 0 0 197.322 2.822 10 0 AFAERN CCC[C@H](C)CC(=O)N1[C@H](C)C[C@H]1C 684333548 487116820 /nfs/dbraw/zinc/11/68/20/487116820.db2.gz CGIVLSACIGVDQV-HBNTYKKESA-N 0 0 197.322 2.822 10 0 AFAERN CCC(CC)CC(=O)N1[C@@H](C)C[C@@H]1C 684333467 487116835 /nfs/dbraw/zinc/11/68/35/487116835.db2.gz BDRMGTQBIZXAGJ-UWVGGRQHSA-N 0 0 197.322 2.822 10 0 AFAERN CCC[C@H](C)CC(=O)N1[C@@H](C)C[C@@H]1C 684333546 487116881 /nfs/dbraw/zinc/11/68/81/487116881.db2.gz CGIVLSACIGVDQV-DCAQKATOSA-N 0 0 197.322 2.822 10 0 AFAERN CC[C@H](C)[C@@H](C)C(=O)N1[C@@H](C)C[C@H]1C 684334169 487117188 /nfs/dbraw/zinc/11/71/88/487117188.db2.gz MIQBHGLTQYPNOC-UKKRHICBSA-N 0 0 197.322 2.678 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C(=O)[C@H](C)C(C)(C)C 684335234 487117264 /nfs/dbraw/zinc/11/72/64/487117264.db2.gz RKTVNUDPXBFWGV-BBBLOLIVSA-N 0 0 197.322 2.678 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N1[C@@H](C)C[C@H]1C 684335894 487117297 /nfs/dbraw/zinc/11/72/97/487117297.db2.gz UZDNGHLPYHJGSS-MXWKQRLJSA-N 0 0 197.322 2.678 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N1[C@H](C)C[C@H]1C 684334170 487117358 /nfs/dbraw/zinc/11/73/58/487117358.db2.gz MIQBHGLTQYPNOC-ZDCRXTMVSA-N 0 0 197.322 2.678 10 0 AFAERN CC(C)C[C@H](C)C(=O)N1[C@H](C)C[C@H]1C 684335892 487117398 /nfs/dbraw/zinc/11/73/98/487117398.db2.gz UZDNGHLPYHJGSS-HBNTYKKESA-N 0 0 197.322 2.678 10 0 AFAERN CC(C)C[C@H](C)C(=O)N1[C@@H](C)C[C@@H]1C 684335888 487117460 /nfs/dbraw/zinc/11/74/60/487117460.db2.gz UZDNGHLPYHJGSS-DCAQKATOSA-N 0 0 197.322 2.678 10 0 AFAERN C[C@H]1C[C@H](C)N1C(=O)CCC1CCC1 684334301 487117475 /nfs/dbraw/zinc/11/74/75/487117475.db2.gz NJFVIZLGPQHGJP-UWVGGRQHSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)[C@H](C)C(C)(C)C 684335233 487117513 /nfs/dbraw/zinc/11/75/13/487117513.db2.gz RKTVNUDPXBFWGV-AEJSXWLSSA-N 0 0 197.322 2.678 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N1[C@@H](C)C[C@@H]1C 684334168 487117521 /nfs/dbraw/zinc/11/75/21/487117521.db2.gz MIQBHGLTQYPNOC-NAKRPEOUSA-N 0 0 197.322 2.678 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)CCC1CCC1 684334297 487117627 /nfs/dbraw/zinc/11/76/27/487117627.db2.gz NJFVIZLGPQHGJP-AOOOYVTPSA-N 0 0 195.306 2.576 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C(=O)CCC1CCC1 684334299 487117633 /nfs/dbraw/zinc/11/76/33/487117633.db2.gz NJFVIZLGPQHGJP-NXEZZACHSA-N 0 0 195.306 2.576 10 0 AFAERN CC(C)C[C@H](C)C(=O)N1[C@@H](C)C[C@H]1C 684335890 487117736 /nfs/dbraw/zinc/11/77/36/487117736.db2.gz UZDNGHLPYHJGSS-GARJFASQSA-N 0 0 197.322 2.678 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)[C@@H](C)C(C)(C)C 684335235 487117770 /nfs/dbraw/zinc/11/77/70/487117770.db2.gz RKTVNUDPXBFWGV-KXUCPTDWSA-N 0 0 197.322 2.678 10 0 AFAERN CC[C@H](C)[C@H](C)C(=O)N1[C@@H](C)C[C@H]1C 684334167 487117773 /nfs/dbraw/zinc/11/77/73/487117773.db2.gz MIQBHGLTQYPNOC-MMWGEVLESA-N 0 0 197.322 2.678 10 0 AFAERN C[C@H](C(=O)N1[C@H](C)C[C@H]1C)C(C)(C)C 684335236 487117782 /nfs/dbraw/zinc/11/77/82/487117782.db2.gz RKTVNUDPXBFWGV-OPRDCNLKSA-N 0 0 197.322 2.678 10 0 AFAERN Cc1ccc(CN(C)CC2(F)CC2)o1 684355334 487118081 /nfs/dbraw/zinc/11/80/81/487118081.db2.gz XZINTAAASASNPO-UHFFFAOYSA-N 0 0 197.253 2.522 10 0 AFAERN C[C@H](c1ccco1)N(C)CC1(F)CC1 684356379 487118255 /nfs/dbraw/zinc/11/82/55/487118255.db2.gz XARLRKRTAWLHDO-SECBINFHSA-N 0 0 197.253 2.775 10 0 AFAERN O=C(CCC(F)F)Nc1ccccc1 684355427 487118291 /nfs/dbraw/zinc/11/82/91/487118291.db2.gz JERDBUMKCAOITD-UHFFFAOYSA-N 0 0 199.200 2.670 10 0 AFAERN C[C@@H](c1ccco1)N(C)CC1(F)CC1 684356382 487118609 /nfs/dbraw/zinc/11/86/09/487118609.db2.gz XARLRKRTAWLHDO-VIFPVBQESA-N 0 0 197.253 2.775 10 0 AFAERN CCN(Cc1ccoc1)CC1(F)CC1 684358838 487119002 /nfs/dbraw/zinc/11/90/02/487119002.db2.gz UGYYSVLYBHKSIG-UHFFFAOYSA-N 0 0 197.253 2.604 10 0 AFAERN Cc1occc1CN(C)CC1(F)CC1 684358468 487119714 /nfs/dbraw/zinc/11/97/14/487119714.db2.gz YOTHFZLPWIPRBN-UHFFFAOYSA-N 0 0 197.253 2.522 10 0 AFAERN FC1(CN2Cc3ccccc3C2)CC1 684359160 487119787 /nfs/dbraw/zinc/11/97/87/487119787.db2.gz OVABZFKEPIHWTI-UHFFFAOYSA-N 0 0 191.249 2.504 10 0 AFAERN Cc1cccc(N(C)CC2(F)CC2)c1 684393843 487120780 /nfs/dbraw/zinc/12/07/80/487120780.db2.gz XSERDSXGMQICMK-UHFFFAOYSA-N 0 0 193.265 2.933 10 0 AFAERN CCC(=O)NCC1(C)CCC(C)CC1 684499734 487122688 /nfs/dbraw/zinc/12/26/88/487122688.db2.gz FLKWBKIQAOUAKU-UHFFFAOYSA-N 0 0 197.322 2.729 10 0 AFAERN CCN(CC1CCC1)C(=O)CC(C)C 684515974 487123626 /nfs/dbraw/zinc/12/36/26/487123626.db2.gz DQPMFYOVJNXTLE-UHFFFAOYSA-N 0 0 197.322 2.681 10 0 AFAERN CCCCC(=O)N(CC)CC1CCC1 684516737 487123780 /nfs/dbraw/zinc/12/37/80/487123780.db2.gz HEQCGBHEXUYAMF-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CC[C@@H]1C[C@H]1NC(=O)[C@@H](C)CC(C)C 684802214 487133384 /nfs/dbraw/zinc/13/33/84/487133384.db2.gz AHIMXCUXCIKFTK-HBNTYKKESA-N 0 0 197.322 2.583 10 0 AFAERN CC[C@@H]1C[C@H]1NC(=O)[C@H](C)CC(C)C 684802213 487133473 /nfs/dbraw/zinc/13/34/73/487133473.db2.gz AHIMXCUXCIKFTK-GMTAPVOTSA-N 0 0 197.322 2.583 10 0 AFAERN C=C/C(C)=C\CC(=O)N1CCCCC1 684869210 487136171 /nfs/dbraw/zinc/13/61/71/487136171.db2.gz PHGAIZHFCUGHJX-XFFZJAGNSA-N 0 0 193.290 2.521 10 0 AFAERN C=C/C(C)=C/CC(=O)N1CCCCC1 684869213 487136359 /nfs/dbraw/zinc/13/63/59/487136359.db2.gz PHGAIZHFCUGHJX-YRNVUSSQSA-N 0 0 193.290 2.521 10 0 AFAERN O[C@H]1C[C@@H](c2ccccc2Cl)C1 299805162 487139520 /nfs/dbraw/zinc/13/95/20/487139520.db2.gz AOYXOTUEOXFQIV-OCAPTIKFSA-N 0 0 182.650 2.578 10 0 AFAERN C[C@H]1C[C@@H]1c1nc([C@H](C)C2CC2)no1 685342066 487143500 /nfs/dbraw/zinc/14/35/00/487143500.db2.gz VVZXRYULLPCJSF-OOZYFLPDSA-N 0 0 192.262 2.707 10 0 AFAERN CCC(CC)N(CC)C(=O)C1=CCC1 685259273 487143526 /nfs/dbraw/zinc/14/35/26/487143526.db2.gz FEFKAHIPCWBKQE-UHFFFAOYSA-N 0 0 195.306 2.744 10 0 AFAERN C[C@H](c1noc([C@H]2C[C@@H]2C)n1)C1CC1 685342069 487143968 /nfs/dbraw/zinc/14/39/68/487143968.db2.gz VVZXRYULLPCJSF-ZKWXMUAHSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)[C@H](C)Nc1ccn(C(C)C)n1 300846452 487145779 /nfs/dbraw/zinc/14/57/79/487145779.db2.gz GFKCTEUIWHZLLS-JTQLQIEISA-N 0 0 195.310 2.920 10 0 AFAERN CC(C)[C@@H](C)Nc1ccn(C(C)C)n1 300846455 487145852 /nfs/dbraw/zinc/14/58/52/487145852.db2.gz GFKCTEUIWHZLLS-SNVBAGLBSA-N 0 0 195.310 2.920 10 0 AFAERN CC1=C[C@H](C)C[C@H](CN2CC(F)C2)C1 685843334 487149918 /nfs/dbraw/zinc/14/99/18/487149918.db2.gz LSINHSXVIFZQCS-ONGXEEELSA-N 0 0 197.297 2.633 10 0 AFAERN CC1=C[C@@H](C)C[C@@H](CN2CC(F)C2)C1 685843333 487150038 /nfs/dbraw/zinc/15/00/38/487150038.db2.gz LSINHSXVIFZQCS-MWLCHTKSSA-N 0 0 197.297 2.633 10 0 AFAERN Cc1ncccc1N[C@H](C)[C@H]1C[C@@H]1C 306162992 487150082 /nfs/dbraw/zinc/15/00/82/487150082.db2.gz NOCNDJBPQSAQLN-NGZCFLSTSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ncccc1N[C@H](C)[C@@H]1C[C@H]1C 306162979 487150460 /nfs/dbraw/zinc/15/04/60/487150460.db2.gz NOCNDJBPQSAQLN-FXPVBKGRSA-N 0 0 190.290 2.846 10 0 AFAERN CC1=C[C@@H](C)C[C@H](CN2CC(F)C2)C1 685843332 487150486 /nfs/dbraw/zinc/15/04/86/487150486.db2.gz LSINHSXVIFZQCS-KOLCDFICSA-N 0 0 197.297 2.633 10 0 AFAERN Cc1ncccc1N[C@H](C)[C@H]1C[C@H]1C 306162987 487150514 /nfs/dbraw/zinc/15/05/14/487150514.db2.gz NOCNDJBPQSAQLN-KKZNHRDASA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ncccc1N[C@H](C)[C@@H]1C[C@@H]1C 306162983 487150594 /nfs/dbraw/zinc/15/05/94/487150594.db2.gz NOCNDJBPQSAQLN-IQJOONFLSA-N 0 0 190.290 2.846 10 0 AFAERN CC1=C[C@H](C)C[C@@H](CN2CC(F)C2)C1 685843331 487150653 /nfs/dbraw/zinc/15/06/53/487150653.db2.gz LSINHSXVIFZQCS-GXSJLCMTSA-N 0 0 197.297 2.633 10 0 AFAERN Cc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)cn1 306218918 487151803 /nfs/dbraw/zinc/15/18/03/487151803.db2.gz PCFPVNRITULUAP-HLUHBDAQSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccc(N[C@H](C)[C@H]2C[C@H]2C)cn1 306218920 487151828 /nfs/dbraw/zinc/15/18/28/487151828.db2.gz PCFPVNRITULUAP-UISBYWKRSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)cn1 306218919 487151875 /nfs/dbraw/zinc/15/18/75/487151875.db2.gz PCFPVNRITULUAP-MKPLZMMCSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)cn1 306218921 487151959 /nfs/dbraw/zinc/15/19/59/487151959.db2.gz PCFPVNRITULUAP-XRNSZHNASA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccncc1N[C@H](C)[C@@H]1C[C@H]1C 306479261 487157961 /nfs/dbraw/zinc/15/79/61/487157961.db2.gz HWKGYNYYVRIMRP-GMTAPVOTSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccncc1N[C@H](C)[C@H]1C[C@@H]1C 306479260 487157742 /nfs/dbraw/zinc/15/77/42/487157742.db2.gz HWKGYNYYVRIMRP-AXFHLTTASA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccncc1N[C@H](C)[C@H]1C[C@H]1C 306479264 487157661 /nfs/dbraw/zinc/15/76/61/487157661.db2.gz HWKGYNYYVRIMRP-MXWKQRLJSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccncc1N[C@H](C)[C@@H]1C[C@@H]1C 306479263 487157773 /nfs/dbraw/zinc/15/77/73/487157773.db2.gz HWKGYNYYVRIMRP-HBNTYKKESA-N 0 0 190.290 2.846 10 0 AFAERN CC(C)(C)C(C)(C)Nc1cnccn1 306471458 487157920 /nfs/dbraw/zinc/15/79/20/487157920.db2.gz RSOCYKRKQAPDPQ-UHFFFAOYSA-N 0 0 193.294 2.713 10 0 AFAERN Cc1cc(-c2ccco2)ccn1 306645238 487163253 /nfs/dbraw/zinc/16/32/53/487163253.db2.gz BHWMNXWJAQAQEF-UHFFFAOYSA-N 0 0 159.188 2.650 10 0 AFAERN CCCN1CCCC[C@H]1C(F)F 306756094 487165785 /nfs/dbraw/zinc/16/57/85/487165785.db2.gz LREFGPGVFJEREL-QMMMGPOBSA-N 0 0 177.238 2.516 10 0 AFAERN CCCN1CCCC[C@@H]1C(F)F 306756091 487166136 /nfs/dbraw/zinc/16/61/36/487166136.db2.gz LREFGPGVFJEREL-MRVPVSSYSA-N 0 0 177.238 2.516 10 0 AFAERN FC(F)C1(NCc2ccccc2)CC1 306965400 487170154 /nfs/dbraw/zinc/17/01/54/487170154.db2.gz NNUVHLPSMDLION-UHFFFAOYSA-N 0 0 197.228 2.574 10 0 AFAERN CC1(C)CC(Nc2ccc(F)cn2)C1 307071900 487173387 /nfs/dbraw/zinc/17/33/87/487173387.db2.gz HHKJMISMCYOKPS-UHFFFAOYSA-N 0 0 194.253 2.821 10 0 AFAERN CC1(C)CC(Nc2ncccc2F)C1 307091534 487173647 /nfs/dbraw/zinc/17/36/47/487173647.db2.gz XLQQUTLAXQLJIT-UHFFFAOYSA-N 0 0 194.253 2.821 10 0 AFAERN Cc1cncc(N[C@@H]2C[C@@H](C)[C@@H]2C)c1 307563389 487183728 /nfs/dbraw/zinc/18/37/28/487183728.db2.gz CCJMZPYZDNHFLY-JFGNBEQYSA-N 0 0 190.290 2.846 10 0 AFAERN C[C@H](CC(C)(C)C)Nc1cccnn1 307253211 487177553 /nfs/dbraw/zinc/17/75/53/487177553.db2.gz UUOHHHITKFVHDJ-SECBINFHSA-N 0 0 193.294 2.713 10 0 AFAERN CC(=O)N[C@@H]1CCCC12CCCCC2 307269881 487177690 /nfs/dbraw/zinc/17/76/90/487177690.db2.gz ONYLDXLXOROBJE-LLVKDONJSA-N 0 0 195.306 2.626 10 0 AFAERN CC(=O)N[C@H]1CCCC12CCCCC2 307269882 487177980 /nfs/dbraw/zinc/17/79/80/487177980.db2.gz ONYLDXLXOROBJE-NSHDSACASA-N 0 0 195.306 2.626 10 0 AFAERN C[C@@H](CC(C)(C)C)Nc1cccnn1 307253212 487178006 /nfs/dbraw/zinc/17/80/06/487178006.db2.gz UUOHHHITKFVHDJ-VIFPVBQESA-N 0 0 193.294 2.713 10 0 AFAERN Cc1cncc(N[C@@H]2C[C@H](C)[C@@H]2C)c1 307563388 487183699 /nfs/dbraw/zinc/18/36/99/487183699.db2.gz CCJMZPYZDNHFLY-JBLDHEPKSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1cncc(N[C@@H]2C[C@@H](C)[C@H]2C)c1 307563386 487183881 /nfs/dbraw/zinc/18/38/81/487183881.db2.gz CCJMZPYZDNHFLY-CKYFFXLPSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1cncc(N[C@@H]2C[C@H](C)[C@H]2C)c1 307563387 487183907 /nfs/dbraw/zinc/18/39/07/487183907.db2.gz CCJMZPYZDNHFLY-HOSYDEDBSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1cnc(NCC[C@@H](C)F)s1 307566646 487184514 /nfs/dbraw/zinc/18/45/14/487184514.db2.gz SQNPTJMBMLCMOI-ZCFIWIBFSA-N 0 0 188.271 2.612 10 0 AFAERN Cc1cnc(NCC[C@H](C)F)s1 307566645 487184627 /nfs/dbraw/zinc/18/46/27/487184627.db2.gz SQNPTJMBMLCMOI-LURJTMIESA-N 0 0 188.271 2.612 10 0 AFAERN C[C@H](CC1CC1)NC1(C(F)F)CC1 308144885 487194760 /nfs/dbraw/zinc/19/47/60/487194760.db2.gz KZZYOAMCMFTAEG-SSDOTTSWSA-N 0 0 189.249 2.562 10 0 AFAERN C[C@@H](CC1CC1)NC1(C(F)F)CC1 308144886 487195011 /nfs/dbraw/zinc/19/50/11/487195011.db2.gz KZZYOAMCMFTAEG-ZETCQYMHSA-N 0 0 189.249 2.562 10 0 AFAERN CC(C)CCCNC1(C(F)F)CC1 308163848 487195772 /nfs/dbraw/zinc/19/57/72/487195772.db2.gz WRKRZSANHFNGHS-UHFFFAOYSA-N 0 0 191.265 2.810 10 0 AFAERN CCCC[C@@H](C)NC1(C(F)F)CC1 308171018 487195835 /nfs/dbraw/zinc/19/58/35/487195835.db2.gz BLVYLGCGIIWQSM-MRVPVSSYSA-N 0 0 191.265 2.952 10 0 AFAERN CCCC[C@H](C)NC1(C(F)F)CC1 308171019 487195956 /nfs/dbraw/zinc/19/59/56/487195956.db2.gz BLVYLGCGIIWQSM-QMMMGPOBSA-N 0 0 191.265 2.952 10 0 AFAERN CCC[C@@H](C)C(=O)N[C@H](C)C(C)C 308249019 487197411 /nfs/dbraw/zinc/19/74/11/487197411.db2.gz AIDYZQHTPIDKRC-NXEZZACHSA-N 0 0 185.311 2.583 10 0 AFAERN CCC(CC)C(=O)N[C@H](C)C(C)C 308248286 487197436 /nfs/dbraw/zinc/19/74/36/487197436.db2.gz ZDRVXNCUOJERGX-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN CCC(CC)CNC1(C(F)F)CC1 308231833 487197541 /nfs/dbraw/zinc/19/75/41/487197541.db2.gz PBLWRVKZOUWEKX-UHFFFAOYSA-N 0 0 191.265 2.810 10 0 AFAERN CCC[C@H](C)C(=O)N[C@@H](C)C(C)C 308249024 487197629 /nfs/dbraw/zinc/19/76/29/487197629.db2.gz AIDYZQHTPIDKRC-UWVGGRQHSA-N 0 0 185.311 2.583 10 0 AFAERN CCC(CC)C(=O)N[C@@H](C)C(C)C 308248287 487197683 /nfs/dbraw/zinc/19/76/83/487197683.db2.gz ZDRVXNCUOJERGX-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN CCC[C@@H](C)C(=O)N[C@@H](C)C(C)C 308249037 487197799 /nfs/dbraw/zinc/19/77/99/487197799.db2.gz AIDYZQHTPIDKRC-ZJUUUORDSA-N 0 0 185.311 2.583 10 0 AFAERN CCC[C@H](C)C(=O)N[C@H](C)C(C)C 308249030 487197803 /nfs/dbraw/zinc/19/78/03/487197803.db2.gz AIDYZQHTPIDKRC-VHSXEESVSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)(C)CCNC1(C(F)F)CC1 308256025 487198240 /nfs/dbraw/zinc/19/82/40/487198240.db2.gz KQJLHZVBIJKNQL-UHFFFAOYSA-N 0 0 191.265 2.810 10 0 AFAERN CCC[C@H](C)CNC1(C(F)F)CC1 308326606 487198783 /nfs/dbraw/zinc/19/87/83/487198783.db2.gz FTZRACGTKHXXHN-QMMMGPOBSA-N 0 0 191.265 2.810 10 0 AFAERN CCC[C@@H](C)CNC1(C(F)F)CC1 308326605 487199264 /nfs/dbraw/zinc/19/92/64/487199264.db2.gz FTZRACGTKHXXHN-MRVPVSSYSA-N 0 0 191.265 2.810 10 0 AFAERN CCCCCC(=O)N[C@@H](C)C(C)C 308398614 487199848 /nfs/dbraw/zinc/19/98/48/487199848.db2.gz FZIVOSYWDCCKJM-JTQLQIEISA-N 0 0 185.311 2.727 10 0 AFAERN CCCCCC(=O)N[C@H](C)C(C)C 308398616 487200017 /nfs/dbraw/zinc/20/00/17/487200017.db2.gz FZIVOSYWDCCKJM-SNVBAGLBSA-N 0 0 185.311 2.727 10 0 AFAERN CCCCN1CCCC[C@@H]1C(F)F 308450433 487200604 /nfs/dbraw/zinc/20/06/04/487200604.db2.gz DCPVYCCNFJXHOK-SECBINFHSA-N 0 0 191.265 2.906 10 0 AFAERN CCCCN1CCCC[C@H]1C(F)F 308450436 487200728 /nfs/dbraw/zinc/20/07/28/487200728.db2.gz DCPVYCCNFJXHOK-VIFPVBQESA-N 0 0 191.265 2.906 10 0 AFAERN CCc1nc(-c2ccc(C)s2)no1 351165724 487232704 /nfs/dbraw/zinc/23/27/04/487232704.db2.gz KFDIXKRXLOVUBX-UHFFFAOYSA-N 0 0 194.259 2.669 10 0 AFAERN Cc1noc([C@H]2C[C@@H]2C2CCCC2)n1 351406733 487233582 /nfs/dbraw/zinc/23/35/82/487233582.db2.gz ONXFRICOCHLFCF-ZJUUUORDSA-N 0 0 192.262 2.672 10 0 AFAERN CC[C@H](CC(F)F)c1nc(C)no1 351190463 487233690 /nfs/dbraw/zinc/23/36/90/487233690.db2.gz WECOORVIKDNVSU-ZCFIWIBFSA-N 0 0 190.193 2.527 10 0 AFAERN Cc1noc([C@@H]2C[C@H]2C2CCCC2)n1 351406732 487233702 /nfs/dbraw/zinc/23/37/02/487233702.db2.gz ONXFRICOCHLFCF-VHSXEESVSA-N 0 0 192.262 2.672 10 0 AFAERN Cc1noc([C@H]2C[C@H]2C2CCCC2)n1 351406731 487233782 /nfs/dbraw/zinc/23/37/82/487233782.db2.gz ONXFRICOCHLFCF-UWVGGRQHSA-N 0 0 192.262 2.672 10 0 AFAERN Cc1noc([C@@H]2C[C@@H]2C2CCCC2)n1 351406730 487233913 /nfs/dbraw/zinc/23/39/13/487233913.db2.gz ONXFRICOCHLFCF-NXEZZACHSA-N 0 0 192.262 2.672 10 0 AFAERN CC[C@@H](CC(F)F)c1nc(C)no1 351190461 487233940 /nfs/dbraw/zinc/23/39/40/487233940.db2.gz WECOORVIKDNVSU-LURJTMIESA-N 0 0 190.193 2.527 10 0 AFAERN CC(C)C[C@@H](C)NC1(C(F)F)CC1 379407167 487243755 /nfs/dbraw/zinc/24/37/55/487243755.db2.gz YFDFYXZQXSHLCL-MRVPVSSYSA-N 0 0 191.265 2.808 10 0 AFAERN CC(C)C[C@H](C)NC1(C(F)F)CC1 379407168 487243915 /nfs/dbraw/zinc/24/39/15/487243915.db2.gz YFDFYXZQXSHLCL-QMMMGPOBSA-N 0 0 191.265 2.808 10 0 AFAERN CC(C)CCC(=O)N[C@@H](C)C(C)C 381932779 487249086 /nfs/dbraw/zinc/24/90/86/487249086.db2.gz QVNDMXWZJLNVOB-JTQLQIEISA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)CCC(=O)N[C@H](C)C(C)C 381932780 487249115 /nfs/dbraw/zinc/24/91/15/487249115.db2.gz QVNDMXWZJLNVOB-SNVBAGLBSA-N 0 0 185.311 2.583 10 0 AFAERN CCC[C@H](C)NC1(C(F)F)CC1 388466007 487259992 /nfs/dbraw/zinc/25/99/92/487259992.db2.gz JFLUMOKLNMCAKW-ZETCQYMHSA-N 0 0 177.238 2.562 10 0 AFAERN CCC[C@@H](C)NC1(C(F)F)CC1 388466004 487260008 /nfs/dbraw/zinc/26/00/08/487260008.db2.gz JFLUMOKLNMCAKW-SSDOTTSWSA-N 0 0 177.238 2.562 10 0 AFAERN CCc1csc(COC(C)C)n1 395395603 487272943 /nfs/dbraw/zinc/27/29/43/487272943.db2.gz BUDDLYKOOSGATH-UHFFFAOYSA-N 0 0 185.292 2.631 10 0 AFAERN CC(C)OCc1nc(C2CC2)cs1 395490837 487273116 /nfs/dbraw/zinc/27/31/16/487273116.db2.gz VVGKLBHVCRTHHX-UHFFFAOYSA-N 0 0 197.303 2.946 10 0 AFAERN Cc1nccn1C[C@@H]1CC[C@H]2C[C@H]2C1 403189602 487290519 /nfs/dbraw/zinc/29/05/19/487290519.db2.gz VABBEXCLXHSVPQ-GRYCIOLGSA-N 0 0 190.290 2.628 10 0 AFAERN Cc1nccn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 403189605 487290546 /nfs/dbraw/zinc/29/05/46/487290546.db2.gz VABBEXCLXHSVPQ-UTUOFQBUSA-N 0 0 190.290 2.628 10 0 AFAERN CC(C)(CCn1cccn1)C1CC1 406022453 487293006 /nfs/dbraw/zinc/29/30/06/487293006.db2.gz FGDHAOIFAGNBRA-UHFFFAOYSA-N 0 0 178.279 2.709 10 0 AFAERN C/C=C/n1cc2ccccc2n1 584622471 487295142 /nfs/dbraw/zinc/29/51/42/487295142.db2.gz XJSPGVAMFYKTQO-FARCUNLSSA-N 0 0 158.204 2.527 10 0 AFAERN Cc1cc(C)c(OCF)c(C)c1 584622481 487295184 /nfs/dbraw/zinc/29/51/84/487295184.db2.gz YAGSXYZNZDLWLP-UHFFFAOYSA-N 0 0 168.211 2.918 10 0 AFAERN CN(C)C(=S)c1cccc(Cl)c1 584631143 487295980 /nfs/dbraw/zinc/29/59/80/487295980.db2.gz AFORQAJHLURZSO-UHFFFAOYSA-N 0 0 199.706 2.577 10 0 AFAERN CC(C)(C)C(=O)N1CCC12CCCC2 606269110 487304826 /nfs/dbraw/zinc/30/48/26/487304826.db2.gz LOMMKXVZCZDPCQ-UHFFFAOYSA-N 0 0 195.306 2.578 10 0 AFAERN C[C@@]1(CNc2ccccn2)CC1(F)F 606273374 487305572 /nfs/dbraw/zinc/30/55/72/487305572.db2.gz VAZAQLIKPAVTPL-VIFPVBQESA-N 0 0 198.216 2.539 10 0 AFAERN C[C@]1(CNc2ccccn2)CC1(F)F 606273373 487305820 /nfs/dbraw/zinc/30/58/20/487305820.db2.gz VAZAQLIKPAVTPL-SECBINFHSA-N 0 0 198.216 2.539 10 0 AFAERN CCC[C@@H](C)NC(=O)[C@@H]1CCC1(C)C 665876165 487315450 /nfs/dbraw/zinc/31/54/50/487315450.db2.gz XSUJCGFZWYSNSO-ZJUUUORDSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@@H](C)NC(=O)[C@H]1CCC1(C)C 665876162 487315482 /nfs/dbraw/zinc/31/54/82/487315482.db2.gz XSUJCGFZWYSNSO-NXEZZACHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)NC(=O)[C@H]1CCC1(C)C 665876164 487315487 /nfs/dbraw/zinc/31/54/87/487315487.db2.gz XSUJCGFZWYSNSO-VHSXEESVSA-N 0 0 197.322 2.727 10 0 AFAERN CCC[C@H](C)NC(=O)[C@@H]1CCC1(C)C 665876163 487315749 /nfs/dbraw/zinc/31/57/49/487315749.db2.gz XSUJCGFZWYSNSO-UWVGGRQHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)NC(=O)[C@H]1CCC1(C)C 665915401 487316021 /nfs/dbraw/zinc/31/60/21/487316021.db2.gz GIGALBCXEMPWBF-SECBINFHSA-N 0 0 197.322 2.727 10 0 AFAERN CCC(C)(C)NC(=O)[C@@H]1CCC1(C)C 665915402 487316604 /nfs/dbraw/zinc/31/66/04/487316604.db2.gz GIGALBCXEMPWBF-VIFPVBQESA-N 0 0 197.322 2.727 10 0 AFAERN CCCCN(C)C(=O)[C@@H]1CCC1(C)C 665923940 487316803 /nfs/dbraw/zinc/31/68/03/487316803.db2.gz SAHMXNPSSBZOLM-JTQLQIEISA-N 0 0 197.322 2.681 10 0 AFAERN CCCCN(C)C(=O)[C@H]1CCC1(C)C 665923941 487317043 /nfs/dbraw/zinc/31/70/43/487317043.db2.gz SAHMXNPSSBZOLM-SNVBAGLBSA-N 0 0 197.322 2.681 10 0 AFAERN CCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 666177631 487322440 /nfs/dbraw/zinc/32/24/40/487322440.db2.gz CKVSDAPMSNAMNL-LBPRGKRZSA-N 0 0 195.306 2.601 10 0 AFAERN CCN(C)C(=O)[C@]1(C)CC=C(C)CC1 666177630 487322561 /nfs/dbraw/zinc/32/25/61/487322561.db2.gz CKVSDAPMSNAMNL-GFCCVEGCSA-N 0 0 195.306 2.601 10 0 AFAERN CC(C)CN(C)C(=O)[C@H]1CCC1(C)C 666179778 487323177 /nfs/dbraw/zinc/32/31/77/487323177.db2.gz BNHTWQKDQKCCBJ-SNVBAGLBSA-N 0 0 197.322 2.537 10 0 AFAERN CCCN(CC)C(=O)[C@@H]1CCC1(C)C 666180575 487323204 /nfs/dbraw/zinc/32/32/04/487323204.db2.gz LDKHRLCZHIAMBF-JTQLQIEISA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)CN(C)C(=O)[C@@H]1CCC1(C)C 666179776 487323266 /nfs/dbraw/zinc/32/32/66/487323266.db2.gz BNHTWQKDQKCCBJ-JTQLQIEISA-N 0 0 197.322 2.537 10 0 AFAERN CCCN(CC)C(=O)[C@H]1CCC1(C)C 666180576 487323281 /nfs/dbraw/zinc/32/32/81/487323281.db2.gz LDKHRLCZHIAMBF-SNVBAGLBSA-N 0 0 197.322 2.681 10 0 AFAERN CC(C)(C)CNC(=O)[C@H]1CCC1(C)C 667094364 487354222 /nfs/dbraw/zinc/35/42/22/487354222.db2.gz WQTVIEZNKCGKNT-SECBINFHSA-N 0 0 197.322 2.585 10 0 AFAERN CC(C)(C)CNC(=O)[C@@H]1CCC1(C)C 667094365 487354395 /nfs/dbraw/zinc/35/43/95/487354395.db2.gz WQTVIEZNKCGKNT-VIFPVBQESA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@@H](C)N(C)C(=O)[C@H]1CCC1(C)C 667764899 487356920 /nfs/dbraw/zinc/35/69/20/487356920.db2.gz KWDWBAGNKYKITP-NXEZZACHSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@@H](C)N(C)C(=O)[C@@H]1CCC1(C)C 667764902 487356925 /nfs/dbraw/zinc/35/69/25/487356925.db2.gz KWDWBAGNKYKITP-ZJUUUORDSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)N(C)C(=O)[C@@H]1CCC1(C)C 667764900 487356974 /nfs/dbraw/zinc/35/69/74/487356974.db2.gz KWDWBAGNKYKITP-UWVGGRQHSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)N(C)C(=O)[C@H]1CCC1(C)C 667764901 487357121 /nfs/dbraw/zinc/35/71/21/487357121.db2.gz KWDWBAGNKYKITP-VHSXEESVSA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)CC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C 667910860 487357874 /nfs/dbraw/zinc/35/78/74/487357874.db2.gz HLHAYXCBHKGFCM-DCAQKATOSA-N 0 0 197.322 2.535 10 0 AFAERN CC(C)CC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C 667910862 487357883 /nfs/dbraw/zinc/35/78/83/487357883.db2.gz HLHAYXCBHKGFCM-HBNTYKKESA-N 0 0 197.322 2.535 10 0 AFAERN CC(C)CC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C 667910859 487357904 /nfs/dbraw/zinc/35/79/04/487357904.db2.gz HLHAYXCBHKGFCM-AXFHLTTASA-N 0 0 197.322 2.535 10 0 AFAERN CC[C@H](C)C(=O)N1C[C@H](C)[C@H](C)[C@H]1C 667911738 487357926 /nfs/dbraw/zinc/35/79/26/487357926.db2.gz DQJJCNKWQKRXDI-XWLWVQCSSA-N 0 0 197.322 2.535 10 0 AFAERN CCCCC(=O)N1C[C@H](C)[C@H](C)[C@H]1C 667910855 487357931 /nfs/dbraw/zinc/35/79/31/487357931.db2.gz GHESLZZFYKLSNV-GARJFASQSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C 667911735 487357962 /nfs/dbraw/zinc/35/79/62/487357962.db2.gz DQJJCNKWQKRXDI-MMWGEVLESA-N 0 0 197.322 2.535 10 0 AFAERN CCCCC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C 667910856 487357997 /nfs/dbraw/zinc/35/79/97/487357997.db2.gz GHESLZZFYKLSNV-HBNTYKKESA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C 667911736 487358010 /nfs/dbraw/zinc/35/80/10/487358010.db2.gz DQJJCNKWQKRXDI-NAKRPEOUSA-N 0 0 197.322 2.535 10 0 AFAERN CC(C)CC(=O)N1C[C@H](C)[C@H](C)[C@H]1C 667910861 487358018 /nfs/dbraw/zinc/35/80/18/487358018.db2.gz HLHAYXCBHKGFCM-GARJFASQSA-N 0 0 197.322 2.535 10 0 AFAERN CCCCC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C 667910854 487358066 /nfs/dbraw/zinc/35/80/66/487358066.db2.gz GHESLZZFYKLSNV-DCAQKATOSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C 667911737 487357976 /nfs/dbraw/zinc/35/79/76/487357976.db2.gz DQJJCNKWQKRXDI-UKKRHICBSA-N 0 0 197.322 2.535 10 0 AFAERN CCCCC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C 667910853 487357978 /nfs/dbraw/zinc/35/79/78/487357978.db2.gz GHESLZZFYKLSNV-AXFHLTTASA-N 0 0 197.322 2.680 10 0 AFAERN CC(C)Nc1cncc2c1CCCC2 668441976 487362255 /nfs/dbraw/zinc/36/22/55/487362255.db2.gz XZPAFSDTVDIQFV-UHFFFAOYSA-N 0 0 190.290 2.781 10 0 AFAERN CC(C)(C)c1noc(/C=C\C2CC2)n1 669407123 487372150 /nfs/dbraw/zinc/37/21/50/487372150.db2.gz YLIIIGNZAVTOMN-SREVYHEPSA-N 0 0 192.262 2.790 10 0 AFAERN Cc1noc([C@@H]2C[C@H]2C(C)(C)C)n1 866839038 582456143 /nfs/dbraw/zinc/45/61/43/582456143.db2.gz TVTYTDLTPLJGOG-HTQZYQBOSA-N 0 0 180.251 2.528 10 0 AFAERN Cc1cncc(-c2ccc(C=O)cc2)c1 145914512 582457286 /nfs/dbraw/zinc/45/72/86/582457286.db2.gz ZARXHXIYNPMREZ-UHFFFAOYSA-N 0 0 197.237 2.870 10 0 AFAERN Cc1nc(C(=O)C2(C)CC2)sc1C 757124006 582457553 /nfs/dbraw/zinc/45/75/53/582457553.db2.gz MZGGDIRBRVTPJG-UHFFFAOYSA-N 0 0 195.287 2.743 10 0 AFAERN Cc1nc(C(=O)[C@H]2C[C@@H]2C)sc1C 757124820 582457579 /nfs/dbraw/zinc/45/75/79/582457579.db2.gz PAUAILBAIUZJIH-XNCJUZBTSA-N 0 0 195.287 2.599 10 0 AFAERN CCC[C@@H](O)c1nc(C)c(C)s1 757124067 582457636 /nfs/dbraw/zinc/45/76/36/582457636.db2.gz BYUWJRJYWSIVSB-MRVPVSSYSA-N 0 0 185.292 2.593 10 0 AFAERN CC[C@@H](C)[C@H](O)c1nc(C)c(C)s1 757125697 582457666 /nfs/dbraw/zinc/45/76/66/582457666.db2.gz FUQLYAZOEOTOJF-MUWHJKNJSA-N 0 0 199.319 2.839 10 0 AFAERN CC[C@H](C)C(=O)c1nc(C)c(C)s1 757127359 582458173 /nfs/dbraw/zinc/45/81/73/582458173.db2.gz YTGVQTVAQRTOCD-LURJTMIESA-N 0 0 197.303 2.989 10 0 AFAERN CC[C@H](C)[C@@H](O)c1nc(C)c(C)s1 757125696 582457709 /nfs/dbraw/zinc/45/77/09/582457709.db2.gz FUQLYAZOEOTOJF-IMTBSYHQSA-N 0 0 199.319 2.839 10 0 AFAERN Cc1nc(C(=O)[C@@H]2C[C@H]2C)sc1C 757124819 582457710 /nfs/dbraw/zinc/45/77/10/582457710.db2.gz PAUAILBAIUZJIH-SVGQVSJJSA-N 0 0 195.287 2.599 10 0 AFAERN CCCCC(=O)c1nc(C)cs1 757123939 582457731 /nfs/dbraw/zinc/45/77/31/582457731.db2.gz LYTYDIWODUSHQJ-UHFFFAOYSA-N 0 0 183.276 2.824 10 0 AFAERN Cc1csc(C(=O)CC(C)C)n1 757123889 582457830 /nfs/dbraw/zinc/45/78/30/582457830.db2.gz KUAFQXRYVJMRDH-UHFFFAOYSA-N 0 0 183.276 2.680 10 0 AFAERN CCCC(=O)c1nc(C)c(C)s1 757124924 582457870 /nfs/dbraw/zinc/45/78/70/582457870.db2.gz RHGHGZIAYKUGNA-UHFFFAOYSA-N 0 0 183.276 2.743 10 0 AFAERN CC[C@H](C)[C@H](O)c1nc(C)c(C)s1 757125698 582457906 /nfs/dbraw/zinc/45/79/06/582457906.db2.gz FUQLYAZOEOTOJF-RCOVLWMOSA-N 0 0 199.319 2.839 10 0 AFAERN Cc1nc(C(=O)[C@H]2C[C@H]2C)sc1C 757124821 582457957 /nfs/dbraw/zinc/45/79/57/582457957.db2.gz PAUAILBAIUZJIH-XRGYYRRGSA-N 0 0 195.287 2.599 10 0 AFAERN Cc1nc(C(=O)C2CCC2)sc1C 757124903 582457978 /nfs/dbraw/zinc/45/79/78/582457978.db2.gz QWWKIIYZUBNCHT-UHFFFAOYSA-N 0 0 195.287 2.743 10 0 AFAERN Cc1nc(C(=O)[C@@H]2C[C@@H]2C)sc1C 757124823 582457982 /nfs/dbraw/zinc/45/79/82/582457982.db2.gz PAUAILBAIUZJIH-YLWLKBPMSA-N 0 0 195.287 2.599 10 0 AFAERN CCC[C@H](O)c1nc(C)c(C)s1 757124075 582457987 /nfs/dbraw/zinc/45/79/87/582457987.db2.gz BYUWJRJYWSIVSB-QMMMGPOBSA-N 0 0 185.292 2.593 10 0 AFAERN CC[C@@H](C)[C@@H](O)c1nc(C)c(C)s1 757125688 582458011 /nfs/dbraw/zinc/45/80/11/582458011.db2.gz FUQLYAZOEOTOJF-HZGVNTEJSA-N 0 0 199.319 2.839 10 0 AFAERN CC(=O)OCC/C=C/c1ccccc1 14651523 582458050 /nfs/dbraw/zinc/45/80/50/582458050.db2.gz PGAUEKAFLZZAMS-WEVVVXLNSA-N 0 0 190.242 2.653 10 0 AFAERN Cc1nc([C@@H](O)C2(C)CC2)sc1C 757129619 582458286 /nfs/dbraw/zinc/45/82/86/582458286.db2.gz NRYNGCXUGYRSLE-MRVPVSSYSA-N 0 0 197.303 2.593 10 0 AFAERN Cn1ccc2cc(NCCF)ccc21 757127859 582458364 /nfs/dbraw/zinc/45/83/64/582458364.db2.gz ICIZQIYBKBHADP-UHFFFAOYSA-N 0 0 192.237 2.560 10 0 AFAERN CCCC[C@@H](O)c1nc(C)c(C)s1 757128524 582458442 /nfs/dbraw/zinc/45/84/42/582458442.db2.gz LLENPNBCOCSMQE-SECBINFHSA-N 0 0 199.319 2.984 10 0 AFAERN CC[C@@H](C)C(=O)c1nc(C)c(C)s1 757127361 582458550 /nfs/dbraw/zinc/45/85/50/582458550.db2.gz YTGVQTVAQRTOCD-ZCFIWIBFSA-N 0 0 197.303 2.989 10 0 AFAERN Cc1nc([C@H](O)C2(C)CC2)sc1C 757129630 582458682 /nfs/dbraw/zinc/45/86/82/582458682.db2.gz NRYNGCXUGYRSLE-QMMMGPOBSA-N 0 0 197.303 2.593 10 0 AFAERN CCCC[C@H](O)c1nc(C)c(C)s1 757128544 582458712 /nfs/dbraw/zinc/45/87/12/582458712.db2.gz LLENPNBCOCSMQE-VIFPVBQESA-N 0 0 199.319 2.984 10 0 AFAERN CCCNc1ccc2c(c1)CCN2C 757134898 582459009 /nfs/dbraw/zinc/45/90/09/582459009.db2.gz XHEYQKMNFREZSS-UHFFFAOYSA-N 0 0 190.290 2.501 10 0 AFAERN CCN(C)c1cc2ccccc2[nH]1 757135122 582459146 /nfs/dbraw/zinc/45/91/46/582459146.db2.gz CYMPEPBPVSPYSD-UHFFFAOYSA-N 0 0 174.247 2.624 10 0 AFAERN Cc1nc([C@@H](O)C2CCC2)sc1C 757133866 582459277 /nfs/dbraw/zinc/45/92/77/582459277.db2.gz XCDBLWRHCUPZBA-VIFPVBQESA-N 0 0 197.303 2.593 10 0 AFAERN Cc1nc([C@H](O)C2CCC2)sc1C 757133859 582459565 /nfs/dbraw/zinc/45/95/65/582459565.db2.gz XCDBLWRHCUPZBA-SECBINFHSA-N 0 0 197.303 2.593 10 0 AFAERN CC(C)CCCOC(=O)C12CC(C1)C2 860271258 582459752 /nfs/dbraw/zinc/45/97/52/582459752.db2.gz KQMCACMZYGGQOH-UHFFFAOYSA-N 0 0 196.290 2.766 10 0 AFAERN FC(F)CNc1cc2ccccc2[nH]1 757136805 582459765 /nfs/dbraw/zinc/45/97/65/582459765.db2.gz SLLCDLHMAORQON-UHFFFAOYSA-N 0 0 196.200 2.845 10 0 AFAERN Cc1ccc(OC2CCCC2)cn1 238483786 582460060 /nfs/dbraw/zinc/46/00/60/582460060.db2.gz XQQLPBJEAGXTFY-UHFFFAOYSA-N 0 0 177.247 2.711 10 0 AFAERN CC(=O)OCc1cccc(C(C)C)c1 201640439 582464091 /nfs/dbraw/zinc/46/40/91/582464091.db2.gz KDMLGPUATLPJPO-UHFFFAOYSA-N 0 0 192.258 2.873 10 0 AFAERN CCONCc1ccc(Cl)c(C)c1 757147218 582465250 /nfs/dbraw/zinc/46/52/50/582465250.db2.gz AZJDXAAMYHWJBY-UHFFFAOYSA-N 0 0 199.681 2.690 10 0 AFAERN Cc1cc(C[C@@H](C)CO)ccc1Cl 757153041 582466854 /nfs/dbraw/zinc/46/68/54/582466854.db2.gz MPRGRBKGMZCJDG-MRVPVSSYSA-N 0 0 198.693 2.819 10 0 AFAERN Cc1cc(C[C@H](C)CO)ccc1Cl 757153046 582467028 /nfs/dbraw/zinc/46/70/28/582467028.db2.gz MPRGRBKGMZCJDG-QMMMGPOBSA-N 0 0 198.693 2.819 10 0 AFAERN CCc1ccc(CSCC(C)=O)o1 757164555 582468976 /nfs/dbraw/zinc/46/89/76/582468976.db2.gz HUMZKJQCXIRROM-UHFFFAOYSA-N 0 0 198.287 2.664 10 0 AFAERN CCC(=O)CSCc1occc1C 757164778 582469152 /nfs/dbraw/zinc/46/91/52/582469152.db2.gz ISEVLZYSNALCQD-UHFFFAOYSA-N 0 0 198.287 2.800 10 0 AFAERN CC(=O)CCSCc1occc1C 757167866 582469990 /nfs/dbraw/zinc/46/99/90/582469990.db2.gz YMJIPCALYOISRE-UHFFFAOYSA-N 0 0 198.287 2.800 10 0 AFAERN C[C@@]1(c2ccc(C=O)cc2)CC1(F)F 757170411 582469992 /nfs/dbraw/zinc/46/99/92/582469992.db2.gz AWSPLSJIXFBGAQ-JTQLQIEISA-N 0 0 196.196 2.796 10 0 AFAERN CC(=O)[C@@H](C)SCc1occc1C 757167728 582470034 /nfs/dbraw/zinc/47/00/34/582470034.db2.gz XQEKBPBSQZARPL-SECBINFHSA-N 0 0 198.287 2.799 10 0 AFAERN CC(=O)[C@H](C)SCc1occc1C 757167730 582470315 /nfs/dbraw/zinc/47/03/15/582470315.db2.gz XQEKBPBSQZARPL-VIFPVBQESA-N 0 0 198.287 2.799 10 0 AFAERN C[C@]1(c2ccc(C=O)cc2)CC1(F)F 757170412 582470319 /nfs/dbraw/zinc/47/03/19/582470319.db2.gz AWSPLSJIXFBGAQ-SNVBAGLBSA-N 0 0 196.196 2.796 10 0 AFAERN CCCCC(=O)N[C@@H]1CC=CC[C@H]1C 890769681 582470531 /nfs/dbraw/zinc/47/05/31/582470531.db2.gz FFNQILSYEXAKRT-GHMZBOCLSA-N 0 0 195.306 2.648 10 0 AFAERN C[C@@H]1CC=CC[C@H]1NC(=O)C(C)(C)C 890770081 582470656 /nfs/dbraw/zinc/47/06/56/582470656.db2.gz NYCQCTVLPCFFRS-NXEZZACHSA-N 0 0 195.306 2.503 10 0 AFAERN C[C@@H](O)c1ccc(CC2CC2)s1 757171073 582470728 /nfs/dbraw/zinc/47/07/28/582470728.db2.gz OFJZNGFQETWGQQ-SSDOTTSWSA-N 0 0 182.288 2.754 10 0 AFAERN C[C@H](O)c1ccc(CC2CC2)s1 757171074 582471039 /nfs/dbraw/zinc/47/10/39/582471039.db2.gz OFJZNGFQETWGQQ-ZETCQYMHSA-N 0 0 182.288 2.754 10 0 AFAERN CC[C@@H](C)C(=O)N[C@@H]1CC=CC[C@H]1C 890770436 582471433 /nfs/dbraw/zinc/47/14/33/582471433.db2.gz ZWFVWHHJGARINF-GMTAPVOTSA-N 0 0 195.306 2.503 10 0 AFAERN CC[C@H](C)C(=O)N[C@@H]1CC=CC[C@H]1C 890770437 582471518 /nfs/dbraw/zinc/47/15/18/582471518.db2.gz ZWFVWHHJGARINF-HBNTYKKESA-N 0 0 195.306 2.503 10 0 AFAERN CCOC(=O)/C=C1/CC[C@H](C)C[C@H]1C 757191497 582471795 /nfs/dbraw/zinc/47/17/95/582471795.db2.gz PTIAIXCGXNHAJT-FVMLCQCVSA-N 0 0 196.290 2.932 10 0 AFAERN CCOC(=O)/C=C1/CC[C@@H](C)C[C@H]1C 757191550 582471874 /nfs/dbraw/zinc/47/18/74/582471874.db2.gz PTIAIXCGXNHAJT-VXNGBHNKSA-N 0 0 196.290 2.932 10 0 AFAERN CCOC(=O)/C=C1/CC[C@@H](C)C[C@@H]1C 757191545 582471818 /nfs/dbraw/zinc/47/18/18/582471818.db2.gz PTIAIXCGXNHAJT-ITYVAHBBSA-N 0 0 196.290 2.932 10 0 AFAERN CCOC(=O)/C=C1/CC(C)(C)C[C@H]1C 757191241 582471834 /nfs/dbraw/zinc/47/18/34/582471834.db2.gz MLUDUEUKYGGMJM-WPVMNKCKSA-N 0 0 196.290 2.932 10 0 AFAERN CCOC(=O)/C=C1/CC(C)(C)C[C@@H]1C 757191236 582471850 /nfs/dbraw/zinc/47/18/50/582471850.db2.gz MLUDUEUKYGGMJM-LKJZUNMESA-N 0 0 196.290 2.932 10 0 AFAERN COC(=O)/C=C1/[C@H](C)CC[C@H](C)[C@H]1C 757190728 582471853 /nfs/dbraw/zinc/47/18/53/582471853.db2.gz CMJOTAUFNZGOCU-YABUXSSNSA-N 0 0 196.290 2.788 10 0 AFAERN O=C1CCC2(CC2)c2cc(F)ccc21 757191019 582471855 /nfs/dbraw/zinc/47/18/55/582471855.db2.gz ZZNKLIXVXDHHSK-UHFFFAOYSA-N 0 0 190.217 2.834 10 0 AFAERN CCOC(=O)C=C1C(C)(C)CC1(C)C 757191849 582471882 /nfs/dbraw/zinc/47/18/82/582471882.db2.gz RPKPWIJWDPTKBO-UHFFFAOYSA-N 0 0 196.290 2.932 10 0 AFAERN COC(=O)/C=C1/[C@H](C)CC[C@@H](C)[C@H]1C 757190725 582472022 /nfs/dbraw/zinc/47/20/22/582472022.db2.gz CMJOTAUFNZGOCU-TUJSCPSOSA-N 0 0 196.290 2.788 10 0 AFAERN CC1(C)C(C)(C)C12CCC[C@@H]2CO 757195671 582472216 /nfs/dbraw/zinc/47/22/16/582472216.db2.gz NKDDHCCNEVENDP-SECBINFHSA-N 0 0 182.307 2.831 10 0 AFAERN COC(=O)/C=C1\C[C@@H](C)CC[C@H]1C 757193911 582472517 /nfs/dbraw/zinc/47/25/17/582472517.db2.gz WQVVQGJYIZHYJK-UUFMJPOISA-N 0 0 182.263 2.542 10 0 AFAERN CC1(C)C(C)(C)C12CCC[C@H]2CO 757195701 582472547 /nfs/dbraw/zinc/47/25/47/582472547.db2.gz NKDDHCCNEVENDP-VIFPVBQESA-N 0 0 182.307 2.831 10 0 AFAERN COC(=O)/C=C1\C[C@@H](C)CC[C@@H]1C 757193907 582472641 /nfs/dbraw/zinc/47/26/41/582472641.db2.gz WQVVQGJYIZHYJK-FANYHQJGSA-N 0 0 182.263 2.542 10 0 AFAERN CC1(C)C(C)(C)C12CCCC2=O 757194595 582472644 /nfs/dbraw/zinc/47/26/44/582472644.db2.gz FCGSRYRKYBFWNJ-UHFFFAOYSA-N 0 0 166.264 2.792 10 0 AFAERN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[C@@H]1C 804854465 582475213 /nfs/dbraw/zinc/47/52/13/582475213.db2.gz GVQHOWWATSANSZ-DJTJSURISA-N 0 0 195.306 2.648 10 0 AFAERN C[C@@H]1CC[C@H]1NC(=O)/C=C\C(C)(C)C 804855882 582475394 /nfs/dbraw/zinc/47/53/94/582475394.db2.gz UGVZDYZIMQXLQF-BUMYOJGDSA-N 0 0 195.306 2.503 10 0 AFAERN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[C@@H]1C 804854467 582475468 /nfs/dbraw/zinc/47/54/68/582475468.db2.gz GVQHOWWATSANSZ-XEFMAMCISA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C(/C)C(=O)N[C@@H]1CC[C@H]1C 804854466 582475566 /nfs/dbraw/zinc/47/55/66/582475566.db2.gz GVQHOWWATSANSZ-LFTXZHPPSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C(\C)C(=O)N[C@@H]1CC[C@H]1C 804854468 582475596 /nfs/dbraw/zinc/47/55/96/582475596.db2.gz GVQHOWWATSANSZ-YIVZINCLSA-N 0 0 195.306 2.648 10 0 AFAERN CCC/C(C)=C/C(=O)N[C@@H]1CC[C@H]1C 804856642 582475704 /nfs/dbraw/zinc/47/57/04/582475704.db2.gz ZECMJUDDMRRLRJ-WUNNSPOASA-N 0 0 195.306 2.648 10 0 AFAERN C[C@@H]1CC[C@@H]1NC(=O)/C=C/C(C)(C)C 804855886 582475732 /nfs/dbraw/zinc/47/57/32/582475732.db2.gz UGVZDYZIMQXLQF-PSFRMBJNSA-N 0 0 195.306 2.503 10 0 AFAERN CCC/C(C)=C\C(=O)N[C@@H]1CC[C@H]1C 804856640 582475735 /nfs/dbraw/zinc/47/57/35/582475735.db2.gz ZECMJUDDMRRLRJ-DLXGREBBSA-N 0 0 195.306 2.648 10 0 AFAERN CCCCCCC(=O)N[C@H]1CC[C@H]1C 804856436 582475751 /nfs/dbraw/zinc/47/57/51/582475751.db2.gz YZOIJOSPFUYXAQ-MNOVXSKESA-N 0 0 197.322 2.872 10 0 AFAERN CCC/C(C)=C\C(=O)N[C@@H]1CC[C@@H]1C 804856641 582475762 /nfs/dbraw/zinc/47/57/62/582475762.db2.gz ZECMJUDDMRRLRJ-DOSOYNOZSA-N 0 0 195.306 2.648 10 0 AFAERN CCCCCCC(=O)N[C@@H]1CC[C@@H]1C 804856440 582475769 /nfs/dbraw/zinc/47/57/69/582475769.db2.gz YZOIJOSPFUYXAQ-WDEREUQCSA-N 0 0 197.322 2.872 10 0 AFAERN CCCCCCC(=O)N[C@@H]1CC[C@H]1C 804856433 582475773 /nfs/dbraw/zinc/47/57/73/582475773.db2.gz YZOIJOSPFUYXAQ-GHMZBOCLSA-N 0 0 197.322 2.872 10 0 AFAERN C[C@@H]1CC[C@@H]1NC(=O)/C=C\C(C)(C)C 804855883 582475776 /nfs/dbraw/zinc/47/57/76/582475776.db2.gz UGVZDYZIMQXLQF-LKMPMBSTSA-N 0 0 195.306 2.503 10 0 AFAERN CCCCCCC(=O)N[C@H]1CC[C@@H]1C 804856437 582475788 /nfs/dbraw/zinc/47/57/88/582475788.db2.gz YZOIJOSPFUYXAQ-QWRGUYRKSA-N 0 0 197.322 2.872 10 0 AFAERN CCC/C(C)=C/C(=O)N[C@@H]1CC[C@@H]1C 804856639 582475808 /nfs/dbraw/zinc/47/58/08/582475808.db2.gz ZECMJUDDMRRLRJ-CJUJNCCTSA-N 0 0 195.306 2.648 10 0 AFAERN C[C@@H]1CC[C@H]1NC(=O)/C=C/C(C)(C)C 804855890 582475833 /nfs/dbraw/zinc/47/58/33/582475833.db2.gz UGVZDYZIMQXLQF-WENXHQBNSA-N 0 0 195.306 2.503 10 0 AFAERN CC/C=C/COC(=O)c1ccccc1 5761912 582476579 /nfs/dbraw/zinc/47/65/79/582476579.db2.gz CSDCIXOZTUVBQA-XVNBXDOJSA-N 0 0 190.242 2.810 10 0 AFAERN C[C@@H]1CC[C@H](OC(=O)C2=CCCC2)C1 779272738 582477033 /nfs/dbraw/zinc/47/70/33/582477033.db2.gz YCLKBANSITVJTD-KOLCDFICSA-N 0 0 194.274 2.829 10 0 AFAERN C[C@H]1CC[C@H](OC(=O)C2=CCCC2)C1 779272740 582477108 /nfs/dbraw/zinc/47/71/08/582477108.db2.gz YCLKBANSITVJTD-ONGXEEELSA-N 0 0 194.274 2.829 10 0 AFAERN C[C@@H]1CC[C@@H](OC(=O)C2=CCCC2)C1 779272739 582477110 /nfs/dbraw/zinc/47/71/10/582477110.db2.gz YCLKBANSITVJTD-MWLCHTKSSA-N 0 0 194.274 2.829 10 0 AFAERN C[C@H]1CC[C@@H](OC(=O)C2=CCCC2)C1 779272737 582477147 /nfs/dbraw/zinc/47/71/47/582477147.db2.gz YCLKBANSITVJTD-GXSJLCMTSA-N 0 0 194.274 2.829 10 0 AFAERN CSCCc1cccs1 146344752 582478881 /nfs/dbraw/zinc/47/88/81/582478881.db2.gz AMHLITMVLOBWPW-UHFFFAOYSA-N 0 0 158.291 2.654 10 0 AFAERN CC/C=C(\F)C(=O)N(C)CCC1CC1 866858076 582480314 /nfs/dbraw/zinc/48/03/14/582480314.db2.gz ZCGCQJWYGNQRNY-WMZJFQQLSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(/F)C(=O)N(C)CCC1CC1 866858075 582480347 /nfs/dbraw/zinc/48/03/47/582480347.db2.gz ZCGCQJWYGNQRNY-ONNFQVAWSA-N 0 0 199.269 2.508 10 0 AFAERN CCOC(=O)/C=C(\C)C(C)(C)CC 223025463 582481205 /nfs/dbraw/zinc/48/12/05/582481205.db2.gz KUYXEGPGHPAUOY-CMDGGOBGSA-N 0 0 184.279 2.932 10 0 AFAERN CC(C)CCCNC(=O)OC(C)C 127338742 582484025 /nfs/dbraw/zinc/48/40/25/582484025.db2.gz NGHDOHLYRBARSL-UHFFFAOYSA-N 0 0 187.283 2.557 10 0 AFAERN CC(C)(C)/C=C\C(=O)OCC1CCC1 744197769 582484515 /nfs/dbraw/zinc/48/45/15/582484515.db2.gz LDQFVUAASSNZTN-FPLPWBNLSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)(C)/C=C/C(=O)OCC1CCC1 744197698 582484753 /nfs/dbraw/zinc/48/47/53/582484753.db2.gz LDQFVUAASSNZTN-BQYQJAHWSA-N 0 0 196.290 2.932 10 0 AFAERN CCSCCSCCSC 141555212 582484940 /nfs/dbraw/zinc/48/49/40/582484940.db2.gz NZOCLYFIKRJACW-UHFFFAOYSA-N 0 0 196.406 2.836 10 0 AFAERN CC[C@@H](C#N)n1ccc2ccc(N)cc21 388982881 582485938 /nfs/dbraw/zinc/48/59/38/582485938.db2.gz QBLHAFXJUZFPHZ-NSHDSACASA-N 0 0 199.257 2.698 10 0 AFAERN CC[C@H](C#N)n1ccc2ccc(N)cc21 388982880 582486053 /nfs/dbraw/zinc/48/60/53/582486053.db2.gz QBLHAFXJUZFPHZ-LLVKDONJSA-N 0 0 199.257 2.698 10 0 AFAERN CC(C)CNc1cc2cc[nH]c2cn1 306438862 582486308 /nfs/dbraw/zinc/48/63/08/582486308.db2.gz MWTYBWDEKQXYTM-UHFFFAOYSA-N 0 0 189.262 2.631 10 0 AFAERN CC[C@@H](C#N)n1ccc2c(N)cccc21 389174891 582486731 /nfs/dbraw/zinc/48/67/31/582486731.db2.gz CWJMWBAZAGGQFB-VIFPVBQESA-N 0 0 199.257 2.698 10 0 AFAERN CC(C)n1ccc(NC[C@@H]2C[C@@H]2C)n1 306470468 582486733 /nfs/dbraw/zinc/48/67/33/582486733.db2.gz QTJZTZBTPDBERV-UWVGGRQHSA-N 0 0 193.294 2.532 10 0 AFAERN CC[C@H](C#N)n1ccc2c(N)cccc21 389174890 582486736 /nfs/dbraw/zinc/48/67/36/582486736.db2.gz CWJMWBAZAGGQFB-SECBINFHSA-N 0 0 199.257 2.698 10 0 AFAERN CC(C)n1ccc(NC[C@H]2C[C@H]2C)n1 306470467 582486798 /nfs/dbraw/zinc/48/67/98/582486798.db2.gz QTJZTZBTPDBERV-NXEZZACHSA-N 0 0 193.294 2.532 10 0 AFAERN CC(C)n1ccc(NC[C@@H]2C[C@H]2C)n1 306470470 582487089 /nfs/dbraw/zinc/48/70/89/582487089.db2.gz QTJZTZBTPDBERV-ZJUUUORDSA-N 0 0 193.294 2.532 10 0 AFAERN CC(C)n1ccc(NC[C@H]2C[C@@H]2C)n1 306470469 582487135 /nfs/dbraw/zinc/48/71/35/582487135.db2.gz QTJZTZBTPDBERV-VHSXEESVSA-N 0 0 193.294 2.532 10 0 AFAERN FC1CN(CCC2CCCCC2)C1 306543008 582487670 /nfs/dbraw/zinc/48/76/70/582487670.db2.gz VPTXEGJMGFQFOZ-UHFFFAOYSA-N 0 0 185.286 2.611 10 0 AFAERN CCc1cccc(OC(=O)CCF)c1 892444444 582489221 /nfs/dbraw/zinc/48/92/21/582489221.db2.gz FINAODAHLSGRJN-UHFFFAOYSA-N 0 0 196.221 2.514 10 0 AFAERN Cc1cc(C)cc(OC(=O)CCF)c1 892432864 582489504 /nfs/dbraw/zinc/48/95/04/582489504.db2.gz CVOBYSZXEOTMBV-UHFFFAOYSA-N 0 0 196.221 2.568 10 0 AFAERN C=C[C@@H](CC)OC(=O)[C@H]1CC=CCC1 148987414 582489854 /nfs/dbraw/zinc/48/98/54/582489854.db2.gz RPNAOFPVLOAQCF-QWRGUYRKSA-N 0 0 194.274 2.851 10 0 AFAERN CCC(C)(C)COC(=O)/C=C\C1CC1 744331508 582491277 /nfs/dbraw/zinc/49/12/77/582491277.db2.gz OOTAZQKFBSNYHT-FPLPWBNLSA-N 0 0 196.290 2.932 10 0 AFAERN C[C@H]1CC(C(=O)OC2CC2)C[C@H](C)C1 783189007 582495719 /nfs/dbraw/zinc/49/57/19/582495719.db2.gz FAWNCADEEJSRHA-RKDXNWHRSA-N 0 0 196.290 2.764 10 0 AFAERN CCC(C)(C)COC(=O)/C=C/C1CC1 744331507 582491457 /nfs/dbraw/zinc/49/14/57/582491457.db2.gz OOTAZQKFBSNYHT-BQYQJAHWSA-N 0 0 196.290 2.932 10 0 AFAERN C[C@H]1C[C@@H](C)C[C@H](C(=O)OC2CC2)C1 783189005 582495724 /nfs/dbraw/zinc/49/57/24/582495724.db2.gz FAWNCADEEJSRHA-MYJAWHEDSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@@H]1CC(C(=O)OC2CC2)C[C@@H](C)C1 783189003 582495732 /nfs/dbraw/zinc/49/57/32/582495732.db2.gz FAWNCADEEJSRHA-IUCAKERBSA-N 0 0 196.290 2.764 10 0 AFAERN Cc1nn([C@H]2CCCC[C@@H]2C)cc1N 704885099 582496144 /nfs/dbraw/zinc/49/61/44/582496144.db2.gz YSHHCYUNJOOAKQ-KWQFWETISA-N 0 0 193.294 2.525 10 0 AFAERN CC(C)CC(N)=NO[C@@H](C)C(C)C 853659101 582499763 /nfs/dbraw/zinc/49/97/63/582499763.db2.gz AFPMUQOACHAVCB-VIFPVBQESA-N 0 0 186.299 2.575 10 0 AFAERN Cc1nn([C@@H]2CCCC[C@@H]2C)cc1N 704885097 582496066 /nfs/dbraw/zinc/49/60/66/582496066.db2.gz YSHHCYUNJOOAKQ-GZMMTYOYSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1nn([C@@H]2CCCC[C@H]2C)cc1N 704885100 582496071 /nfs/dbraw/zinc/49/60/71/582496071.db2.gz YSHHCYUNJOOAKQ-LDYMZIIASA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)nn1[C@H]1CCCC[C@H]1C 704849532 582496089 /nfs/dbraw/zinc/49/60/89/582496089.db2.gz BTKBLSDUFQOGJE-SCZZXKLOSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)nn1[C@@H]1CCCC[C@H]1C 704849529 582496142 /nfs/dbraw/zinc/49/61/42/582496142.db2.gz BTKBLSDUFQOGJE-PSASIEDQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cn([C@@H]2CCCC[C@@H]2C)nc1N 704853226 582496124 /nfs/dbraw/zinc/49/61/24/582496124.db2.gz ZOHUDGCRKOMDQG-WCBMZHEXSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cn([C@H]2CCCC[C@@H]2C)nc1N 704853229 582496131 /nfs/dbraw/zinc/49/61/31/582496131.db2.gz ZOHUDGCRKOMDQG-WPRPVWTQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)nn1[C@@H]1CCCC[C@@H]1C 704849535 582496136 /nfs/dbraw/zinc/49/61/36/582496136.db2.gz BTKBLSDUFQOGJE-WCBMZHEXSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cc(N)nn1[C@H]1CCCC[C@@H]1C 704849538 582496152 /nfs/dbraw/zinc/49/61/52/582496152.db2.gz BTKBLSDUFQOGJE-WPRPVWTQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cn([C@@H]2CCCC[C@H]2C)nc1N 704853221 582496154 /nfs/dbraw/zinc/49/61/54/582496154.db2.gz ZOHUDGCRKOMDQG-PSASIEDQSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1cn([C@H]2CCCC[C@H]2C)nc1N 704853222 582496168 /nfs/dbraw/zinc/49/61/68/582496168.db2.gz ZOHUDGCRKOMDQG-SCZZXKLOSA-N 0 0 193.294 2.525 10 0 AFAERN Cc1nn([C@H]2CCCC[C@H]2C)cc1N 704885098 582496194 /nfs/dbraw/zinc/49/61/94/582496194.db2.gz YSHHCYUNJOOAKQ-KCJUWKMLSA-N 0 0 193.294 2.525 10 0 AFAERN CC/C=C(/C)C(=O)O[C@H](C)C(C)C 216731194 582496681 /nfs/dbraw/zinc/49/66/81/582496681.db2.gz PISHAXYGMUZIKN-UJICNMFASA-N 0 0 184.279 2.930 10 0 AFAERN O=C(/C=C\C1CC1)Oc1ccccc1 146849925 582497931 /nfs/dbraw/zinc/49/79/31/582497931.db2.gz WNWUIJMRJMFDHN-HJWRWDBZSA-N 0 0 188.226 2.558 10 0 AFAERN CC[C@@H](C)C(=O)O[C@H](C)C(F)(F)F 113141546 582498363 /nfs/dbraw/zinc/49/83/63/582498363.db2.gz VRCAXGUZLBECMN-PHDIDXHHSA-N 0 0 198.184 2.527 10 0 AFAERN C[C@H](OC(=O)c1ccccc1)C1CC1 146899842 582498895 /nfs/dbraw/zinc/49/88/95/582498895.db2.gz XGNFBHWNKABRND-VIFPVBQESA-N 0 0 190.242 2.642 10 0 AFAERN CCC(O)=C(CC)C(=O)C(C)(C)C 395278048 582499119 /nfs/dbraw/zinc/49/91/19/582499119.db2.gz FHVLIWCYUORYJC-MRVPVSSYSA-N 0 0 184.279 2.607 10 0 AFAERN CCCC(O)=C(CC)C(=O)C(C)(C)C 395283261 582499350 /nfs/dbraw/zinc/49/93/50/582499350.db2.gz IXOWMKUSZSTUML-VIFPVBQESA-N 0 0 198.306 2.997 10 0 AFAERN CC(C)C(C)(C)COC(=O)CCF 893129921 582499447 /nfs/dbraw/zinc/49/94/47/582499447.db2.gz MIWMQRFDTBWRKI-UHFFFAOYSA-N 0 0 190.258 2.571 10 0 AFAERN CCC(O)=C(CC)C(=O)C(C)(C)C 395278049 582499509 /nfs/dbraw/zinc/49/95/09/582499509.db2.gz FHVLIWCYUORYJC-QMMMGPOBSA-N 0 0 184.279 2.607 10 0 AFAERN CCO/C=C(\CC)C(=O)C(C)(C)C 395281031 582499607 /nfs/dbraw/zinc/49/96/07/582499607.db2.gz HRGKXKZFFMWOJG-CMDGGOBGSA-N 0 0 184.279 2.932 10 0 AFAERN CCCC(O)=C(CC)C(=O)C(C)(C)C 395283257 582499667 /nfs/dbraw/zinc/49/96/67/582499667.db2.gz IXOWMKUSZSTUML-SECBINFHSA-N 0 0 198.306 2.997 10 0 AFAERN CCO/C=C(\C)C(=O)C(C)(C)C 395488043 582499753 /nfs/dbraw/zinc/49/97/53/582499753.db2.gz XXOBSUSTNUVLSI-BQYQJAHWSA-N 0 0 170.252 2.542 10 0 AFAERN CCCC(O)=C(C)C(=O)C(C)(C)C 395436140 582499866 /nfs/dbraw/zinc/49/98/66/582499866.db2.gz HFKTZSUQJRBEHN-QMMMGPOBSA-N 0 0 184.279 2.607 10 0 AFAERN CC(C)CC(N)=NO[C@H](C)C(C)C 853659100 582499876 /nfs/dbraw/zinc/49/98/76/582499876.db2.gz AFPMUQOACHAVCB-SECBINFHSA-N 0 0 186.299 2.575 10 0 AFAERN CCCC(O)=C(C)C(=O)C(C)(C)C 395436134 582499910 /nfs/dbraw/zinc/49/99/10/582499910.db2.gz HFKTZSUQJRBEHN-MRVPVSSYSA-N 0 0 184.279 2.607 10 0 AFAERN CC(C)=CCOC(=O)C1=C(C)CCC1 775279118 582501358 /nfs/dbraw/zinc/50/13/58/582501358.db2.gz FUDLCOOEMMNHKC-UHFFFAOYSA-N 0 0 194.274 2.996 10 0 AFAERN CC[C@@H](C)OC(=O)/C=C/C(C)(C)C 117439057 582501382 /nfs/dbraw/zinc/50/13/82/582501382.db2.gz GHLHWGMLASGIMR-FCZSHJHJSA-N 0 0 184.279 2.930 10 0 AFAERN CCCC[C@H](C)OC(=O)C(C)C 118657880 582502194 /nfs/dbraw/zinc/50/21/94/582502194.db2.gz QLUIRWJNPGJBRM-VIFPVBQESA-N 0 0 172.268 2.764 10 0 AFAERN CC[C@@H](C)N(CC)C(=O)/C=C\C1CC1 855148437 582502284 /nfs/dbraw/zinc/50/22/84/582502284.db2.gz DQJHCCSJMOZPQQ-HSTULFTRSA-N 0 0 195.306 2.600 10 0 AFAERN CC[C@@H](C)N(CC)C(=O)/C=C/C1CC1 855148435 582502381 /nfs/dbraw/zinc/50/23/81/582502381.db2.gz DQJHCCSJMOZPQQ-AAXQSMANSA-N 0 0 195.306 2.600 10 0 AFAERN CC[C@H](C)N(CC)C(=O)/C=C/C1CC1 855148436 582502392 /nfs/dbraw/zinc/50/23/92/582502392.db2.gz DQJHCCSJMOZPQQ-DDXVTDLHSA-N 0 0 195.306 2.600 10 0 AFAERN CC[C@H](C)N(CC)C(=O)/C=C\C1CC1 855148438 582502416 /nfs/dbraw/zinc/50/24/16/582502416.db2.gz DQJHCCSJMOZPQQ-QROTZFDESA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)(C)C(O)=CC(=O)[C@H]1CC1(C)C 397706879 582502701 /nfs/dbraw/zinc/50/27/01/582502701.db2.gz UBQBZSGUIKXZLF-MRVPVSSYSA-N 0 0 196.290 2.607 10 0 AFAERN CC(C)(C)C(O)=CC(=O)[C@@H]1CC1(C)C 397706880 582502829 /nfs/dbraw/zinc/50/28/29/582502829.db2.gz UBQBZSGUIKXZLF-QMMMGPOBSA-N 0 0 196.290 2.607 10 0 AFAERN CCO/C=C(\CC)C(=O)[C@H]1CC1(C)C 397706651 582502945 /nfs/dbraw/zinc/50/29/45/582502945.db2.gz RPTRXUGSRHRGTL-AAXQSMANSA-N 0 0 196.290 2.932 10 0 AFAERN CCO/C=C(\CC)C(=O)[C@@H]1CC1(C)C 397706654 582502988 /nfs/dbraw/zinc/50/29/88/582502988.db2.gz RPTRXUGSRHRGTL-DDXVTDLHSA-N 0 0 196.290 2.932 10 0 AFAERN CCCC(=O)OCCCc1ccoc1 893339194 582503731 /nfs/dbraw/zinc/50/37/31/582503731.db2.gz ZPBWBPJOHDGGKK-UHFFFAOYSA-N 0 0 196.246 2.556 10 0 AFAERN C/C=C(/C)C(=O)NCC[C@@H](C)CCC 893364626 582504205 /nfs/dbraw/zinc/50/42/05/582504205.db2.gz AHSUGCNGUJGGTB-OYUORYAFSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C(\C)C(=O)NCC[C@@H](C)CCC 893364625 582504260 /nfs/dbraw/zinc/50/42/60/582504260.db2.gz AHSUGCNGUJGGTB-OTXQMUPVSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C(/C)C(=O)NCC[C@H](C)CCC 893364623 582504360 /nfs/dbraw/zinc/50/43/60/582504360.db2.gz AHSUGCNGUJGGTB-CHPNCVJKSA-N 0 0 197.322 2.895 10 0 AFAERN CCOC(=O)/C=C1/CCC(C)(C)C1 147008704 582504385 /nfs/dbraw/zinc/50/43/85/582504385.db2.gz BVJWGZJNMXJKFM-CLFYSBASSA-N 0 0 182.263 2.686 10 0 AFAERN C/C=C\C(=O)NCC[C@@H](C)CCC 893365224 582504440 /nfs/dbraw/zinc/50/44/40/582504440.db2.gz ADWNDZOHBFXHTE-BXKUYDPTSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C\C(=O)NCC[C@H](C)CCC 893365225 582504509 /nfs/dbraw/zinc/50/45/09/582504509.db2.gz ADWNDZOHBFXHTE-ONRRBMGISA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C/C(=O)NCC[C@H](C)CCC 893365218 582504539 /nfs/dbraw/zinc/50/45/39/582504539.db2.gz ADWNDZOHBFXHTE-BREXMAIKSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C(\C)C(=O)NCC[C@H](C)CCC 893364627 582504586 /nfs/dbraw/zinc/50/45/86/582504586.db2.gz AHSUGCNGUJGGTB-VUUNSECVSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C/C(=O)NCC[C@@H](C)CCC 893365226 582504612 /nfs/dbraw/zinc/50/46/12/582504612.db2.gz ADWNDZOHBFXHTE-STUBTGCMSA-N 0 0 183.295 2.505 10 0 AFAERN C/C=C(/C)C(=O)OC[C@@H]1CC12CCC2 893470590 582505445 /nfs/dbraw/zinc/50/54/45/582505445.db2.gz XLNJQLSPZBUVQA-BNFOFFDWSA-N 0 0 194.274 2.686 10 0 AFAERN C/C=C(\C)C(=O)OC[C@H]1CC12CCC2 893470593 582505463 /nfs/dbraw/zinc/50/54/63/582505463.db2.gz XLNJQLSPZBUVQA-OTVCUZDGSA-N 0 0 194.274 2.686 10 0 AFAERN C/C=C(/C)C(=O)OC[C@H]1CC12CCC2 893470591 582505495 /nfs/dbraw/zinc/50/54/95/582505495.db2.gz XLNJQLSPZBUVQA-KSXVILFYSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)(C)C(=O)OC[C@H]1CC12CCC2 893464289 582505525 /nfs/dbraw/zinc/50/55/25/582505525.db2.gz LDIGLCRMZKDDSJ-SECBINFHSA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)CC(=O)OC[C@H]1CC12CCC2 893464858 582505547 /nfs/dbraw/zinc/50/55/47/582505547.db2.gz OBEHMUVEVZDESF-SNVBAGLBSA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)(C)C(=O)OC[C@@H]1CC12CCC2 893464297 582505549 /nfs/dbraw/zinc/50/55/49/582505549.db2.gz LDIGLCRMZKDDSJ-VIFPVBQESA-N 0 0 196.290 2.766 10 0 AFAERN C/C=C(\C)C(=O)OC[C@@H]1CC12CCC2 893470594 582505557 /nfs/dbraw/zinc/50/55/57/582505557.db2.gz XLNJQLSPZBUVQA-RZCNENHTSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)CC(=O)OC[C@@H]1CC12CCC2 893464857 582505580 /nfs/dbraw/zinc/50/55/80/582505580.db2.gz OBEHMUVEVZDESF-JTQLQIEISA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)CC(=O)OC[C@@]12CCC[C@@H]1C2 893623383 582506705 /nfs/dbraw/zinc/50/67/05/582506705.db2.gz DOAJPYHBIUMMSM-PWSUYJOCSA-N 0 0 196.290 2.766 10 0 AFAERN CCC[C@H](C)C(=O)OCC(F)(F)F 219181451 582506769 /nfs/dbraw/zinc/50/67/69/582506769.db2.gz ALFUWDMYRHRIRG-LURJTMIESA-N 0 0 198.184 2.528 10 0 AFAERN O=C(OC[C@@]12CCC[C@@H]1C2)C1CCC1 893623087 582506800 /nfs/dbraw/zinc/50/68/00/582506800.db2.gz AHQBKJXGXSZOHQ-PWSUYJOCSA-N 0 0 194.274 2.520 10 0 AFAERN CC(C)[C@@H]1CC(=O)CC[C@H]1C 219070499 582506868 /nfs/dbraw/zinc/50/68/68/582506868.db2.gz ZRLHOYPNSADZEO-SCZZXKLOSA-N 0 0 154.253 2.648 10 0 AFAERN CCC(=O)O[C@@H]1CC[C@@H]2CCC[C@@H]2C1 223688106 582507074 /nfs/dbraw/zinc/50/70/74/582507074.db2.gz QDCCODSGXZMTIS-HBNTYKKESA-N 0 0 196.290 2.908 10 0 AFAERN CCC(=O)O[C@@H]1CC[C@H]2CCC[C@@H]2C1 223688229 582507220 /nfs/dbraw/zinc/50/72/20/582507220.db2.gz QDCCODSGXZMTIS-GMTAPVOTSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@H](OC(=O)c1ccoc1)C1CCC1 747487369 582511369 /nfs/dbraw/zinc/51/13/69/582511369.db2.gz QUVHAYOVRXQLJQ-QMMMGPOBSA-N 0 0 194.230 2.625 10 0 AFAERN c1csc(N2CCC23CCCC3)n1 894376752 582514204 /nfs/dbraw/zinc/51/42/04/582514204.db2.gz CUCDLTKWLCZEBK-UHFFFAOYSA-N 0 0 194.303 2.666 10 0 AFAERN CCON(CC)CCc1cccs1 879795698 582515232 /nfs/dbraw/zinc/51/52/32/582515232.db2.gz CTIJFUUCGUPIFJ-UHFFFAOYSA-N 0 0 199.319 2.564 10 0 AFAERN Cc1coc(CN2CCC=C(F)C2)c1 894427458 582515745 /nfs/dbraw/zinc/51/57/45/582515745.db2.gz QIMDMFRMZUJZIB-UHFFFAOYSA-N 0 0 195.237 2.647 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)/C=C/C(C)(C)C 792526840 582518384 /nfs/dbraw/zinc/51/83/84/582518384.db2.gz APBHENNOKCTUFB-VDLHMYNSSA-N 0 0 195.306 2.598 10 0 AFAERN C[C@H]1C[C@@H](C)N1C(=O)/C=C\C(C)(C)C 792526837 582518432 /nfs/dbraw/zinc/51/84/32/582518432.db2.gz APBHENNOKCTUFB-CVVMQXDASA-N 0 0 195.306 2.598 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C(=O)/C=C/C(C)(C)C 792526839 582518557 /nfs/dbraw/zinc/51/85/57/582518557.db2.gz APBHENNOKCTUFB-UHHSMLKOSA-N 0 0 195.306 2.598 10 0 AFAERN C[C@@H]1C[C@@H](C)N1C(=O)/C=C\C(C)(C)C 792526838 582518683 /nfs/dbraw/zinc/51/86/83/582518683.db2.gz APBHENNOKCTUFB-ITMFEAPISA-N 0 0 195.306 2.598 10 0 AFAERN Cc1cccc(NC2CC(C)(C)C2)n1 306542663 582520023 /nfs/dbraw/zinc/52/00/23/582520023.db2.gz RAKBFINCOFLKGG-UHFFFAOYSA-N 0 0 190.290 2.991 10 0 AFAERN CCC(C)(C)C(=O)OC1CCC1 141355201 582522171 /nfs/dbraw/zinc/52/21/71/582522171.db2.gz YIOJXJKYEDFDKH-UHFFFAOYSA-N 0 0 170.252 2.518 10 0 AFAERN CC(C)CC(=O)Oc1ccc(F)cc1 141142674 582522338 /nfs/dbraw/zinc/52/23/38/582522338.db2.gz BNPJAQXJHJGFLV-UHFFFAOYSA-N 0 0 196.221 2.777 10 0 AFAERN CCCCSc1ccncc1 4718382 582523259 /nfs/dbraw/zinc/52/32/59/582523259.db2.gz BJANPDOQTUMTHR-UHFFFAOYSA-N 0 0 167.277 2.974 10 0 AFAERN CC(C)/C=C/C(=O)O[C@@H](C)C(C)C 141997647 582524107 /nfs/dbraw/zinc/52/41/07/582524107.db2.gz AUJOCFRLGFWTEC-FGEFZZPRSA-N 0 0 184.279 2.786 10 0 AFAERN CCOC(=O)/C=C(/CC)C(C)C 141994852 582524347 /nfs/dbraw/zinc/52/43/47/582524347.db2.gz SJQVGGMWALGCBL-CLFYSBASSA-N 0 0 170.252 2.542 10 0 AFAERN CC(C)/C=C/C(=O)O[C@H](C)C(C)C 141997847 582524434 /nfs/dbraw/zinc/52/44/34/582524434.db2.gz AUJOCFRLGFWTEC-VQCYPWCPSA-N 0 0 184.279 2.786 10 0 AFAERN CCC(C)(C)C(=O)O[C@@H](C)C(F)F 142473833 582524680 /nfs/dbraw/zinc/52/46/80/582524680.db2.gz RZVPFVPXGMQJPT-LURJTMIESA-N 0 0 194.221 2.619 10 0 AFAERN CCC(CC)CN1CC[C@@H]1C(F)F 895431402 582528104 /nfs/dbraw/zinc/52/81/04/582528104.db2.gz MULGGORUMWKOGH-SECBINFHSA-N 0 0 191.265 2.762 10 0 AFAERN FC(F)[C@@H]1CCN1CC1CCCC1 895431301 582527652 /nfs/dbraw/zinc/52/76/52/582527652.db2.gz LJIYBNRKMNEZEY-VIFPVBQESA-N 0 0 189.249 2.516 10 0 AFAERN CCC(CC)CN1CC[C@H]1C(F)F 895431404 582527754 /nfs/dbraw/zinc/52/77/54/582527754.db2.gz MULGGORUMWKOGH-VIFPVBQESA-N 0 0 191.265 2.762 10 0 AFAERN CC(C)(C)CCN1CC[C@H]1C(F)F 895430718 582527895 /nfs/dbraw/zinc/52/78/95/582527895.db2.gz HCJDRDNDTNUBOU-QMMMGPOBSA-N 0 0 191.265 2.762 10 0 AFAERN FC(F)[C@H]1CCN1CC1CCCC1 895431300 582527909 /nfs/dbraw/zinc/52/79/09/582527909.db2.gz LJIYBNRKMNEZEY-SECBINFHSA-N 0 0 189.249 2.516 10 0 AFAERN CCCCC(=O)NC1(C2CC2)CCC1 895366900 582528017 /nfs/dbraw/zinc/52/80/17/582528017.db2.gz WLQMAGXQFHTVHR-UHFFFAOYSA-N 0 0 195.306 2.626 10 0 AFAERN CC(C)(C)CCN1CC[C@@H]1C(F)F 895430717 582528300 /nfs/dbraw/zinc/52/83/00/582528300.db2.gz HCJDRDNDTNUBOU-MRVPVSSYSA-N 0 0 191.265 2.762 10 0 AFAERN CCC[C@H](C)CN1CC[C@H]1C(F)F 895432883 582528342 /nfs/dbraw/zinc/52/83/42/582528342.db2.gz RDPMSQLZCIAHAI-IUCAKERBSA-N 0 0 191.265 2.762 10 0 AFAERN CCC[C@@H](C)CN1CC[C@H]1C(F)F 895432881 582528404 /nfs/dbraw/zinc/52/84/04/582528404.db2.gz RDPMSQLZCIAHAI-BDAKNGLRSA-N 0 0 191.265 2.762 10 0 AFAERN CC(C)CCCN1CC[C@@H]1C(F)F 895432797 582528416 /nfs/dbraw/zinc/52/84/16/582528416.db2.gz PXSAARPEAVKWHS-SECBINFHSA-N 0 0 191.265 2.762 10 0 AFAERN CC1(CN2CC[C@@H]2C(F)F)CCC1 895432897 582528501 /nfs/dbraw/zinc/52/85/01/582528501.db2.gz RJWPPKFZJGUAFG-MRVPVSSYSA-N 0 0 189.249 2.516 10 0 AFAERN CC(C)CCCN1CC[C@H]1C(F)F 895432799 582528509 /nfs/dbraw/zinc/52/85/09/582528509.db2.gz PXSAARPEAVKWHS-VIFPVBQESA-N 0 0 191.265 2.762 10 0 AFAERN CCC[C@@H](C)CN1CC[C@@H]1C(F)F 895432885 582528535 /nfs/dbraw/zinc/52/85/35/582528535.db2.gz RDPMSQLZCIAHAI-RKDXNWHRSA-N 0 0 191.265 2.762 10 0 AFAERN FC(F)[C@H]1CCN1Cc1ccccc1 895435029 582528633 /nfs/dbraw/zinc/52/86/33/582528633.db2.gz FPZPYDICGGNVQE-SNVBAGLBSA-N 0 0 197.228 2.526 10 0 AFAERN CCC[C@H](C)CN1CC[C@@H]1C(F)F 895432882 582528637 /nfs/dbraw/zinc/52/86/37/582528637.db2.gz RDPMSQLZCIAHAI-DTWKUNHWSA-N 0 0 191.265 2.762 10 0 AFAERN CC1(CN2CC[C@H]2C(F)F)CCC1 895432898 582528749 /nfs/dbraw/zinc/52/87/49/582528749.db2.gz RJWPPKFZJGUAFG-QMMMGPOBSA-N 0 0 189.249 2.516 10 0 AFAERN FC(F)[C@@H]1CCN1Cc1ccccc1 895435027 582528764 /nfs/dbraw/zinc/52/87/64/582528764.db2.gz FPZPYDICGGNVQE-JTQLQIEISA-N 0 0 197.228 2.526 10 0 AFAERN C/C(=C\C(=O)OCC1CC1)C(C)(C)C 147996610 582533917 /nfs/dbraw/zinc/53/39/17/582533917.db2.gz AYEZGLJNODTRNM-VQHVLOKHSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@@H]1CC=CCC1 147738061 582530670 /nfs/dbraw/zinc/53/06/70/582530670.db2.gz HYIFZCRGXSCLKD-WDEREUQCSA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)[C@@H](C)OC(=O)[C@H]1CC=CCC1 147737463 582530689 /nfs/dbraw/zinc/53/06/89/582530689.db2.gz HYIFZCRGXSCLKD-MNOVXSKESA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@H]1CC=CCC1 147737666 582530767 /nfs/dbraw/zinc/53/07/67/582530767.db2.gz HYIFZCRGXSCLKD-QWRGUYRKSA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)(C)COC(=O)[C@@H]1CC=CCC1 147739267 582530931 /nfs/dbraw/zinc/53/09/31/582530931.db2.gz BQRMPEMSKUOKOO-SNVBAGLBSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)[C@@H](C)OC(=O)[C@@H]1CC=CCC1 147737874 582530945 /nfs/dbraw/zinc/53/09/45/582530945.db2.gz HYIFZCRGXSCLKD-GHMZBOCLSA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)(C)COC(=O)[C@H]1CC=CCC1 147739060 582531016 /nfs/dbraw/zinc/53/10/16/582531016.db2.gz BQRMPEMSKUOKOO-JTQLQIEISA-N 0 0 196.290 2.932 10 0 AFAERN C1=CCC(CCNc2ccccn2)C1 896094867 582532452 /nfs/dbraw/zinc/53/24/52/582532452.db2.gz ANVYUEHHSIJOGD-UHFFFAOYSA-N 0 0 188.274 2.850 10 0 AFAERN C1=CCC(CCNc2nccs2)C1 896094025 582532671 /nfs/dbraw/zinc/53/26/71/582532671.db2.gz IVGZBQQPRBBZLE-UHFFFAOYSA-N 0 0 194.303 2.911 10 0 AFAERN CCC(=CC(=O)OCC(C)C)CC 148003770 582534366 /nfs/dbraw/zinc/53/43/66/582534366.db2.gz AGLXZJZBCVOUJL-UHFFFAOYSA-N 0 0 184.279 2.932 10 0 AFAERN C=CCOC(=O)/C=C(\C)C(C)(C)C 148048782 582534598 /nfs/dbraw/zinc/53/45/98/582534598.db2.gz FAANQJSMKOBYMA-CMDGGOBGSA-N 0 0 182.263 2.708 10 0 AFAERN C[C@H](C(=O)OC1CCC1)C1CCCC1 750738565 582534798 /nfs/dbraw/zinc/53/47/98/582534798.db2.gz GQWVMOAZQJKFAF-VIFPVBQESA-N 0 0 196.290 2.908 10 0 AFAERN C=CCCC(=O)Oc1cccc(C)c1 142956675 582535026 /nfs/dbraw/zinc/53/50/26/582535026.db2.gz SVAZTRUJFMMGMY-UHFFFAOYSA-N 0 0 190.242 2.867 10 0 AFAERN C[C@@H](C(=O)OC1CCC1)C1CCCC1 750738564 582535123 /nfs/dbraw/zinc/53/51/23/582535123.db2.gz GQWVMOAZQJKFAF-SECBINFHSA-N 0 0 196.290 2.908 10 0 AFAERN C/C=C/C=C\C(=O)N1CCCC1(C)C 728282162 582537051 /nfs/dbraw/zinc/53/70/51/582537051.db2.gz NFCADSRIHRHMGB-LMJRQTCTSA-N 0 0 193.290 2.520 10 0 AFAERN C/C=C/C=C/C(=O)N1CCCC1(C)C 728282161 582537063 /nfs/dbraw/zinc/53/70/63/582537063.db2.gz NFCADSRIHRHMGB-DVBIZMGNSA-N 0 0 193.290 2.520 10 0 AFAERN CC/C=C(\F)C(=O)NC1CC(C)(C)C1 869305751 582537665 /nfs/dbraw/zinc/53/76/65/582537665.db2.gz SOLMJNMBGNUNOH-UITAMQMPSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)NC1CC(C)(C)C1 869305754 582537699 /nfs/dbraw/zinc/53/76/99/582537699.db2.gz SOLMJNMBGNUNOH-WEVVVXLNSA-N 0 0 199.269 2.555 10 0 AFAERN CC[C@H](C(=O)C(C)C)C(=O)C(C)(C)C 148137966 582537709 /nfs/dbraw/zinc/53/77/09/582537709.db2.gz JGCDQADKAJTANP-SECBINFHSA-N 0 0 198.306 2.853 10 0 AFAERN CC(C)[C@H](C)OC(=O)C1CCCC1 144337656 582540680 /nfs/dbraw/zinc/54/06/80/582540680.db2.gz GBGKQGYBCLAYLY-VIFPVBQESA-N 0 0 184.279 2.764 10 0 AFAERN CCCOCSCCCSC 148386642 582540798 /nfs/dbraw/zinc/54/07/98/582540798.db2.gz FRTLBHYLFCUIRL-UHFFFAOYSA-N 0 0 194.365 2.857 10 0 AFAERN C/C=C/COC(=O)c1ccccc1F 144682601 582541824 /nfs/dbraw/zinc/54/18/24/582541824.db2.gz CBOQCYRKKGJCJJ-NSCUHMNNSA-N 0 0 194.205 2.559 10 0 AFAERN C[C@H]1CCCC[C@H]1COC(=O)C1CC1 145494478 582542195 /nfs/dbraw/zinc/54/21/95/582542195.db2.gz AJPVAICHZJWVAB-ONGXEEELSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@H]1CCCC[C@@H]1COC(=O)C1CC1 145494074 582542205 /nfs/dbraw/zinc/54/22/05/582542205.db2.gz AJPVAICHZJWVAB-GXSJLCMTSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1CCCC[C@H]1COC(=O)C1CC1 145494270 582542336 /nfs/dbraw/zinc/54/23/36/582542336.db2.gz AJPVAICHZJWVAB-KOLCDFICSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1CCCC[C@@H]1COC(=O)C1CC1 145493857 582542367 /nfs/dbraw/zinc/54/23/67/582542367.db2.gz AJPVAICHZJWVAB-MWLCHTKSSA-N 0 0 196.290 2.766 10 0 AFAERN CCCNc1cc2ccccc2[nH]1 145569017 582542401 /nfs/dbraw/zinc/54/24/01/582542401.db2.gz KYHKDCXPXRQURG-UHFFFAOYSA-N 0 0 174.247 2.990 10 0 AFAERN C/C=C/CSCc1nocc1C 871698110 582543314 /nfs/dbraw/zinc/54/33/14/582543314.db2.gz KANFYYCYNDSAHG-ONEGZZNKSA-N 0 0 183.276 2.792 10 0 AFAERN C/C=C\CSCc1nocc1C 871698109 582543316 /nfs/dbraw/zinc/54/33/16/582543316.db2.gz KANFYYCYNDSAHG-ARJAWSKDSA-N 0 0 183.276 2.792 10 0 AFAERN C/C(=C/C(=O)O[C@H](C)C1CC1)C1CC1 729083405 582543723 /nfs/dbraw/zinc/54/37/23/582543723.db2.gz MVWMKVIKHYFRCY-UFGYOYAJSA-N 0 0 194.274 2.684 10 0 AFAERN C[C@@H](CC(=O)O[C@@H](C)C1CC1)C1CC1 729081959 582543866 /nfs/dbraw/zinc/54/38/66/582543866.db2.gz NMGVTCQOYWFNDO-IUCAKERBSA-N 0 0 196.290 2.764 10 0 AFAERN C/C(=C\C(=O)O[C@@H](C)C1CC1)C1CC1 729083403 582543870 /nfs/dbraw/zinc/54/38/70/582543870.db2.gz MVWMKVIKHYFRCY-FLOXNTQESA-N 0 0 194.274 2.684 10 0 AFAERN C[C@@H](OC(=O)C=C1CCCC1)C1CC1 729081161 582543877 /nfs/dbraw/zinc/54/38/77/582543877.db2.gz CUQDGZJBLCTSEV-SECBINFHSA-N 0 0 194.274 2.829 10 0 AFAERN C[C@H](OC(=O)C[C@@H](C)C1CC1)C1CC1 729081957 582543899 /nfs/dbraw/zinc/54/38/99/582543899.db2.gz NMGVTCQOYWFNDO-BDAKNGLRSA-N 0 0 196.290 2.764 10 0 AFAERN Cc1ccoc1C(=O)O[C@@H](C)C1CC1 729084927 582543908 /nfs/dbraw/zinc/54/39/08/582543908.db2.gz NDXZMNXLLNPZGC-QMMMGPOBSA-N 0 0 194.230 2.543 10 0 AFAERN C[C@H](OC(=O)C[C@@H]1C=CCC1)C1CC1 729085320 582543913 /nfs/dbraw/zinc/54/39/13/582543913.db2.gz WBPXKDMIGAKHNC-VHSXEESVSA-N 0 0 194.274 2.684 10 0 AFAERN CC[C@H](C)OC(=O)c1cc(C)[nH]c1C 729078139 582543921 /nfs/dbraw/zinc/54/39/21/582543921.db2.gz KTBWYKWLOZGSFD-QMMMGPOBSA-N 0 0 195.262 2.587 10 0 AFAERN Cc1ccc(C(=O)O[C@@H](C)C2CC2)o1 729085203 582543931 /nfs/dbraw/zinc/54/39/31/582543931.db2.gz SJTHSZYRSUSJOE-QMMMGPOBSA-N 0 0 194.230 2.543 10 0 AFAERN C[C@H](OC(=O)CC1CCCC1)C1CC1 729083438 582543941 /nfs/dbraw/zinc/54/39/41/582543941.db2.gz FDFUPYXQIBPVML-VIFPVBQESA-N 0 0 196.290 2.908 10 0 AFAERN C[C@H](OC(=O)C1CCCCC1)C1CC1 729084081 582543970 /nfs/dbraw/zinc/54/39/70/582543970.db2.gz BMAPNAYXYGCSRX-VIFPVBQESA-N 0 0 196.290 2.908 10 0 AFAERN C/C(=C\C(=O)O[C@H](C)C1CC1)C1CC1 729083402 582543982 /nfs/dbraw/zinc/54/39/82/582543982.db2.gz MVWMKVIKHYFRCY-FCZSHJHJSA-N 0 0 194.274 2.684 10 0 AFAERN C[C@H](OC(=O)[C@@H]1CC=CCC1)C1CC1 729084336 582544011 /nfs/dbraw/zinc/54/40/11/582544011.db2.gz XNNAIAFAHBNMAA-GXSJLCMTSA-N 0 0 194.274 2.684 10 0 AFAERN CC(C)=C(C)C(=O)OCC(C)C 202122272 582544040 /nfs/dbraw/zinc/54/40/40/582544040.db2.gz BVROGMDKHCMCNY-UHFFFAOYSA-N 0 0 170.252 2.542 10 0 AFAERN CC[C@@H](C)OC(=O)c1cc(C)[nH]c1C 729078138 582544113 /nfs/dbraw/zinc/54/41/13/582544113.db2.gz KTBWYKWLOZGSFD-MRVPVSSYSA-N 0 0 195.262 2.587 10 0 AFAERN C/C(=C/C(=O)O[C@@H](C)C1CC1)C1CC1 729083404 582544120 /nfs/dbraw/zinc/54/41/20/582544120.db2.gz MVWMKVIKHYFRCY-FUOZMLNRSA-N 0 0 194.274 2.684 10 0 AFAERN C[C@H](OC(=O)[C@H]1CC=CCC1)C1CC1 729084339 582544199 /nfs/dbraw/zinc/54/41/99/582544199.db2.gz XNNAIAFAHBNMAA-ONGXEEELSA-N 0 0 194.274 2.684 10 0 AFAERN C[C@H](OC(=O)C=C1CCCC1)C1CC1 729081163 582544237 /nfs/dbraw/zinc/54/42/37/582544237.db2.gz CUQDGZJBLCTSEV-VIFPVBQESA-N 0 0 194.274 2.829 10 0 AFAERN C[C@H](OC(=O)C[C@H]1C=CCC1)C1CC1 729085319 582544242 /nfs/dbraw/zinc/54/42/42/582544242.db2.gz WBPXKDMIGAKHNC-UWVGGRQHSA-N 0 0 194.274 2.684 10 0 AFAERN CCC/C(C)=C/C(=O)OC[C@@H]1C[C@H]1C 729086129 582544376 /nfs/dbraw/zinc/54/43/76/582544376.db2.gz IHANCPHFCVJIBJ-FSZCPTMNSA-N 0 0 196.290 2.932 10 0 AFAERN C/C(=C/C(=O)OCC(C)(C)C)C1CC1 729098112 582544395 /nfs/dbraw/zinc/54/43/95/582544395.db2.gz SLSGMBWNNPEFRM-CLFYSBASSA-N 0 0 196.290 2.932 10 0 AFAERN C[C@H]1C[C@@H]1COC(=O)C1CCCCC1 729090778 582544428 /nfs/dbraw/zinc/54/44/28/582544428.db2.gz OFKRHTJGTGAGIV-GXSJLCMTSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)C=C1CCCC1 729087468 582544466 /nfs/dbraw/zinc/54/44/66/582544466.db2.gz QCKSJQIKHLNFLU-MWLCHTKSSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)(C)COC(=O)C[C@H]1C=CCC1 729097656 582544470 /nfs/dbraw/zinc/54/44/70/582544470.db2.gz VKWGBPIGVYEXTJ-JTQLQIEISA-N 0 0 196.290 2.932 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)C=C1CCCC1 729087466 582544477 /nfs/dbraw/zinc/54/44/77/582544477.db2.gz QCKSJQIKHLNFLU-KOLCDFICSA-N 0 0 194.274 2.686 10 0 AFAERN Cc1c[nH]cc1C(=O)OCC(C)(C)C 729096280 582544493 /nfs/dbraw/zinc/54/44/93/582544493.db2.gz VJRGHAMCSYTZLS-UHFFFAOYSA-N 0 0 195.262 2.526 10 0 AFAERN Cc1ccoc1C(=O)OCC(C)(C)C 729096910 582544516 /nfs/dbraw/zinc/54/45/16/582544516.db2.gz ADPXVGJURYZECU-UHFFFAOYSA-N 0 0 196.246 2.791 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)CC1CCCC1 729087499 582544521 /nfs/dbraw/zinc/54/45/21/582544521.db2.gz LJWUBXWDQDJMFP-KOLCDFICSA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)(C)COC(=O)C[C@@H]1C=CCC1 729097657 582544527 /nfs/dbraw/zinc/54/45/27/582544527.db2.gz VKWGBPIGVYEXTJ-SNVBAGLBSA-N 0 0 196.290 2.932 10 0 AFAERN Cc1occc1C(=O)O[C@@H](C)C1CC1 729085379 582544529 /nfs/dbraw/zinc/54/45/29/582544529.db2.gz YEYJWLHRYCVNHA-ZETCQYMHSA-N 0 0 194.230 2.543 10 0 AFAERN C/C(=C\C(=O)OC[C@@H]1C[C@H]1C)C1CC1 729088959 582544539 /nfs/dbraw/zinc/54/45/39/582544539.db2.gz CXEXKQZFHIOHJA-XIYQOMOMSA-N 0 0 194.274 2.542 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)[C@@H]1CC=CCC1 729091892 582544541 /nfs/dbraw/zinc/54/45/41/582544541.db2.gz YRDVOIHVTMJPGZ-GMTAPVOTSA-N 0 0 194.274 2.542 10 0 AFAERN CCC/C(C)=C\C(=O)OC[C@@H]1C[C@@H]1C 729086131 582544546 /nfs/dbraw/zinc/54/45/46/582544546.db2.gz IHANCPHFCVJIBJ-PNEDHVDMSA-N 0 0 196.290 2.932 10 0 AFAERN C/C(=C\C(=O)OC[C@@H]1C[C@@H]1C)C1CC1 729088958 582544553 /nfs/dbraw/zinc/54/45/53/582544553.db2.gz CXEXKQZFHIOHJA-QLTSPCSMSA-N 0 0 194.274 2.542 10 0 AFAERN Cc1ccc(C(=O)OCC(C)(C)C)o1 729097705 582544602 /nfs/dbraw/zinc/54/46/02/582544602.db2.gz YVSBKRBNLFJAER-UHFFFAOYSA-N 0 0 196.246 2.791 10 0 AFAERN C[C@H](CC(=O)OC[C@H]1C[C@H]1C)C1CC1 729086101 582544560 /nfs/dbraw/zinc/54/45/60/582544560.db2.gz HUICZWVSYQKPLV-FXPVBKGRSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H]1C[C@H]1COC(=O)CC1CCCC1 729087502 582544595 /nfs/dbraw/zinc/54/45/95/582544595.db2.gz LJWUBXWDQDJMFP-ONGXEEELSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@H]1C[C@@H]1COC(=O)C[C@@H](C)C1CC1 729086102 582544658 /nfs/dbraw/zinc/54/46/58/582544658.db2.gz HUICZWVSYQKPLV-IQJOONFLSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H]1C[C@H]1COC(=O)C=C1CCCC1 729087470 582544664 /nfs/dbraw/zinc/54/46/64/582544664.db2.gz QCKSJQIKHLNFLU-ONGXEEELSA-N 0 0 194.274 2.686 10 0 AFAERN C/C(=C/C(=O)OC[C@@H]1C[C@@H]1C)C1CC1 729088961 582544703 /nfs/dbraw/zinc/54/47/03/582544703.db2.gz CXEXKQZFHIOHJA-XVOWSVCCSA-N 0 0 194.274 2.542 10 0 AFAERN C/C(=C\C(=O)OCC(C)(C)C)C1CC1 729098113 582544773 /nfs/dbraw/zinc/54/47/73/582544773.db2.gz SLSGMBWNNPEFRM-VQHVLOKHSA-N 0 0 196.290 2.932 10 0 AFAERN C[C@H]1C[C@H]1COC(=O)C[C@@H](C)C1CC1 729086104 582544827 /nfs/dbraw/zinc/54/48/27/582544827.db2.gz HUICZWVSYQKPLV-NGZCFLSTSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)C1CCCCC1 729090784 582544834 /nfs/dbraw/zinc/54/48/34/582544834.db2.gz OFKRHTJGTGAGIV-MWLCHTKSSA-N 0 0 196.290 2.766 10 0 AFAERN Cc1occc1C(=O)OCC(C)(C)C 729097284 582544872 /nfs/dbraw/zinc/54/48/72/582544872.db2.gz KUQSBVFPPNRZMO-UHFFFAOYSA-N 0 0 196.246 2.791 10 0 AFAERN C[C@H]1C[C@@H]1COC(=O)C=C1CCCC1 729087464 582544920 /nfs/dbraw/zinc/54/49/20/582544920.db2.gz QCKSJQIKHLNFLU-GXSJLCMTSA-N 0 0 194.274 2.686 10 0 AFAERN CCC/C(C)=C\C(=O)OC[C@@H]1C[C@H]1C 729086130 582544925 /nfs/dbraw/zinc/54/49/25/582544925.db2.gz IHANCPHFCVJIBJ-KJNJGPFHSA-N 0 0 196.290 2.932 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)CC1CCCC1 729087500 582544946 /nfs/dbraw/zinc/54/49/46/582544946.db2.gz LJWUBXWDQDJMFP-MWLCHTKSSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)[C@H]1CC=CCC1 729091895 582544958 /nfs/dbraw/zinc/54/49/58/582544958.db2.gz YRDVOIHVTMJPGZ-OUAUKWLOSA-N 0 0 194.274 2.542 10 0 AFAERN C[C@H]1C[C@H]1COC(=O)C1CCCCC1 729090786 582544976 /nfs/dbraw/zinc/54/49/76/582544976.db2.gz OFKRHTJGTGAGIV-ONGXEEELSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@H](CC(=O)OC[C@@H]1C[C@H]1C)C1CC1 729086103 582544992 /nfs/dbraw/zinc/54/49/92/582544992.db2.gz HUICZWVSYQKPLV-KKZNHRDASA-N 0 0 196.290 2.622 10 0 AFAERN C/C(=C/C(=O)OC[C@@H]1C[C@H]1C)C1CC1 729088956 582545015 /nfs/dbraw/zinc/54/50/15/582545015.db2.gz CXEXKQZFHIOHJA-ICDDFLLVSA-N 0 0 194.274 2.542 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)[C@H]1CC=CCC1 729091897 582545029 /nfs/dbraw/zinc/54/50/29/582545029.db2.gz YRDVOIHVTMJPGZ-VWYCJHECSA-N 0 0 194.274 2.542 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)C1CCCCC1 729090781 582545035 /nfs/dbraw/zinc/54/50/35/582545035.db2.gz OFKRHTJGTGAGIV-KOLCDFICSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)[C@@H]1CC=CCC1 729091894 582545047 /nfs/dbraw/zinc/54/50/47/582545047.db2.gz YRDVOIHVTMJPGZ-MXWKQRLJSA-N 0 0 194.274 2.542 10 0 AFAERN C[C@H]1C[C@@H]1COC(=O)CC1CCCC1 729087497 582545051 /nfs/dbraw/zinc/54/50/51/582545051.db2.gz LJWUBXWDQDJMFP-GXSJLCMTSA-N 0 0 196.290 2.766 10 0 AFAERN CCC/C(C)=C/C(=O)OC[C@@H]1C[C@@H]1C 729086132 582545067 /nfs/dbraw/zinc/54/50/67/582545067.db2.gz IHANCPHFCVJIBJ-PRZVWEGYSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)c1ccc(-c2nc[nH]n2)cc1 202332432 582545220 /nfs/dbraw/zinc/54/52/20/582545220.db2.gz COVBNDOTWQPBJE-UHFFFAOYSA-N 0 0 187.246 2.595 10 0 AFAERN CCC(=O)O[C@@H]1CCc2ccccc21 204469684 582547708 /nfs/dbraw/zinc/54/77/08/582547708.db2.gz SKILWKJZPYFPRG-LLVKDONJSA-N 0 0 190.242 2.627 10 0 AFAERN c1cc(NCC2CC2)ncc1C1CC1 897712578 582548688 /nfs/dbraw/zinc/54/86/88/582548688.db2.gz QYTXGKODIDUTTC-UHFFFAOYSA-N 0 0 188.274 2.781 10 0 AFAERN CO[C@H](C)c1nc([C@@H]2C[C@H]2C)cs1 899242028 582558931 /nfs/dbraw/zinc/55/89/31/582558931.db2.gz SXZDCNCOGOOYRG-BWZBUEFSSA-N 0 0 197.303 2.974 10 0 AFAERN CO[C@H](C)c1nc([C@H]2C[C@@H]2C)cs1 899242030 582558938 /nfs/dbraw/zinc/55/89/38/582558938.db2.gz SXZDCNCOGOOYRG-RNJXMRFFSA-N 0 0 197.303 2.974 10 0 AFAERN CO[C@H](C)c1nc([C@H]2C[C@H]2C)cs1 899242029 582559122 /nfs/dbraw/zinc/55/91/22/582559122.db2.gz SXZDCNCOGOOYRG-PRJMDXOYSA-N 0 0 197.303 2.974 10 0 AFAERN CO[C@H](C)c1nc([C@@H]2C[C@@H]2C)cs1 899242031 582559184 /nfs/dbraw/zinc/55/91/84/582559184.db2.gz SXZDCNCOGOOYRG-XLPZGREQSA-N 0 0 197.303 2.974 10 0 AFAERN c1c([C@H]2CCCO2)noc1C1CCC1 899253470 582560129 /nfs/dbraw/zinc/56/01/29/582560129.db2.gz QOIDKOGMFBFRES-SNVBAGLBSA-N 0 0 193.246 2.794 10 0 AFAERN c1c(C2CC2)noc1C1CCC1 899252123 582560137 /nfs/dbraw/zinc/56/01/37/582560137.db2.gz CYKLMBDCEYGAQJ-UHFFFAOYSA-N 0 0 163.220 2.820 10 0 AFAERN c1c([C@@H]2CCCO2)noc1C1CCC1 899253469 582560206 /nfs/dbraw/zinc/56/02/06/582560206.db2.gz QOIDKOGMFBFRES-JTQLQIEISA-N 0 0 193.246 2.794 10 0 AFAERN c1c(C2CCC2)nnn1C1CCCC1 899724282 582563886 /nfs/dbraw/zinc/56/38/86/582563886.db2.gz LUJBTWDFRKCRGV-UHFFFAOYSA-N 0 0 191.278 2.661 10 0 AFAERN c1ccc(-n2cc(C3CCC3)nn2)cc1 899682432 582562800 /nfs/dbraw/zinc/56/28/00/582562800.db2.gz KVHYKRBMQQJRFL-UHFFFAOYSA-N 0 0 199.257 2.535 10 0 AFAERN Cc1ccc(C)c(NC(=O)CCF)c1 899903364 582565459 /nfs/dbraw/zinc/56/54/59/582565459.db2.gz MDCFKQMEDBWRHU-UHFFFAOYSA-N 0 0 195.237 2.602 10 0 AFAERN Cc1cccc(NC(=O)CCF)c1C 899911882 582566389 /nfs/dbraw/zinc/56/63/89/582566389.db2.gz XVTMXAFEKJBBNH-UHFFFAOYSA-N 0 0 195.237 2.602 10 0 AFAERN Cc1ccc(NC(=O)CCF)c(C)c1 899910886 582566487 /nfs/dbraw/zinc/56/64/87/582566487.db2.gz KWEXQVDVJISJSA-UHFFFAOYSA-N 0 0 195.237 2.602 10 0 AFAERN Cc1ccc(NC(=O)CCF)cc1C 899910629 582566594 /nfs/dbraw/zinc/56/65/94/582566594.db2.gz KGXDOUQDYJLIMH-UHFFFAOYSA-N 0 0 195.237 2.602 10 0 AFAERN Cc1cc(C)cc(NC(=O)CCF)c1 899928827 582566833 /nfs/dbraw/zinc/56/68/33/582566833.db2.gz RKVBMXJJJFWOAK-UHFFFAOYSA-N 0 0 195.237 2.602 10 0 AFAERN CCc1ccc(NC(=O)CCF)cc1 899928976 582567383 /nfs/dbraw/zinc/56/73/83/582567383.db2.gz XPKGLAOKARPMLN-UHFFFAOYSA-N 0 0 195.237 2.547 10 0 AFAERN CCc1ccccc1NC(=O)CCF 900072272 582568790 /nfs/dbraw/zinc/56/87/90/582568790.db2.gz WFXJOUGEQQFYJJ-UHFFFAOYSA-N 0 0 195.237 2.547 10 0 AFAERN Cc1cccc(C)c1NC(=O)CCF 900883276 582577881 /nfs/dbraw/zinc/57/78/81/582577881.db2.gz QIZXQHYTGIHDMT-UHFFFAOYSA-N 0 0 195.237 2.602 10 0 AFAERN CCO[C@@H](C)SCc1ccco1 901376439 582584868 /nfs/dbraw/zinc/58/48/68/582584868.db2.gz FFUQGDVHTPADNP-MRVPVSSYSA-N 0 0 186.276 2.895 10 0 AFAERN CCO[C@H](C)SCc1ccco1 901376451 582585393 /nfs/dbraw/zinc/58/53/93/582585393.db2.gz FFUQGDVHTPADNP-QMMMGPOBSA-N 0 0 186.276 2.895 10 0 AFAERN COc1ccc(S[C@@H](C)OC)cc1 901412381 582585630 /nfs/dbraw/zinc/58/56/30/582585630.db2.gz HVZMQZHMAGCMIH-QMMMGPOBSA-N 0 0 198.287 2.780 10 0 AFAERN COc1ccc(S[C@H](C)OC)cc1 901412380 582585767 /nfs/dbraw/zinc/58/57/67/582585767.db2.gz HVZMQZHMAGCMIH-MRVPVSSYSA-N 0 0 198.287 2.780 10 0 AFAERN CCO[C@H](C)Sc1ccc(C)cn1 901469119 582586178 /nfs/dbraw/zinc/58/61/78/582586178.db2.gz HZPFCOUESVOCTN-VIFPVBQESA-N 0 0 197.303 2.865 10 0 AFAERN COc1cccc(S[C@@H](C)OC)c1 901455734 582586336 /nfs/dbraw/zinc/58/63/36/582586336.db2.gz DFHLNNCDUVOAEH-QMMMGPOBSA-N 0 0 198.287 2.780 10 0 AFAERN COc1cccc(S[C@H](C)OC)c1 901455733 582586353 /nfs/dbraw/zinc/58/63/53/582586353.db2.gz DFHLNNCDUVOAEH-MRVPVSSYSA-N 0 0 198.287 2.780 10 0 AFAERN CCO[C@@H](C)Sc1ccc(C)cn1 901469118 582586408 /nfs/dbraw/zinc/58/64/08/582586408.db2.gz HZPFCOUESVOCTN-SECBINFHSA-N 0 0 197.303 2.865 10 0 AFAERN CO[C@@H](C)Sc1cccc(F)c1 901506739 582586830 /nfs/dbraw/zinc/58/68/30/582586830.db2.gz AFJLOUNVBZAOJF-SSDOTTSWSA-N 0 0 186.251 2.910 10 0 AFAERN CO[C@H](C)Sc1cccc(F)c1 901506740 582586979 /nfs/dbraw/zinc/58/69/79/582586979.db2.gz AFJLOUNVBZAOJF-ZETCQYMHSA-N 0 0 186.251 2.910 10 0 AFAERN CCCCCS[C@@H](C)OC 901530109 582587532 /nfs/dbraw/zinc/58/75/32/582587532.db2.gz HNHGHSGHNKZGSF-QMMMGPOBSA-N 0 0 162.298 2.902 10 0 AFAERN CCCCCS[C@H](C)OC 901530108 582587611 /nfs/dbraw/zinc/58/76/11/582587611.db2.gz HNHGHSGHNKZGSF-MRVPVSSYSA-N 0 0 162.298 2.902 10 0 AFAERN CCO[C@@H](C)SCC1CC1 901546212 582587939 /nfs/dbraw/zinc/58/79/39/582587939.db2.gz AWYWJDLUXDCJBZ-SSDOTTSWSA-N 0 0 160.282 2.512 10 0 AFAERN CCO[C@H](C)SCC1CC1 901546213 582588351 /nfs/dbraw/zinc/58/83/51/582588351.db2.gz AWYWJDLUXDCJBZ-ZETCQYMHSA-N 0 0 160.282 2.512 10 0 AFAERN C[C@@H]1CCCC[C@H]1SC1COC1 901632422 582588654 /nfs/dbraw/zinc/58/86/54/582588654.db2.gz ICTAUGWOCRMGRW-PSASIEDQSA-N 0 0 186.320 2.697 10 0 AFAERN C[C@H]1CCCC[C@@H]1SC1COC1 901632426 582588941 /nfs/dbraw/zinc/58/89/41/582588941.db2.gz ICTAUGWOCRMGRW-WPRPVWTQSA-N 0 0 186.320 2.697 10 0 AFAERN C1CC2(C1)CC(CSC1COC1)C2 901632907 582589033 /nfs/dbraw/zinc/58/90/33/582589033.db2.gz REBAGGWNJGHYMC-UHFFFAOYSA-N 0 0 198.331 2.699 10 0 AFAERN C[C@H]1CCCC[C@H]1SC1COC1 901632425 582589127 /nfs/dbraw/zinc/58/91/27/582589127.db2.gz ICTAUGWOCRMGRW-WCBMZHEXSA-N 0 0 186.320 2.697 10 0 AFAERN C(C[C@@H]1C[C@H]1C1CC1)SC1COC1 901632420 582589216 /nfs/dbraw/zinc/58/92/16/582589216.db2.gz ICMYDFLMBGMDOE-KOLCDFICSA-N 0 0 198.331 2.555 10 0 AFAERN C[C@@H]1CCCC[C@@H]1SC1COC1 901632424 582589241 /nfs/dbraw/zinc/58/92/41/582589241.db2.gz ICTAUGWOCRMGRW-SCZZXKLOSA-N 0 0 186.320 2.697 10 0 AFAERN C1CC2(CSC3COC3)CCC1C2 901633416 582589397 /nfs/dbraw/zinc/58/93/97/582589397.db2.gz IWRBXOVGUWEYNP-UHFFFAOYSA-N 0 0 198.331 2.699 10 0 AFAERN C1OCC1SC[C@H]1CC[C@@H]2C[C@@H]2C1 901635271 582589754 /nfs/dbraw/zinc/58/97/54/582589754.db2.gz XWXRTFILNLVLEX-AEJSXWLSSA-N 0 0 198.331 2.555 10 0 AFAERN C1OCC1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 901635272 582589863 /nfs/dbraw/zinc/58/98/63/582589863.db2.gz XWXRTFILNLVLEX-BBBLOLIVSA-N 0 0 198.331 2.555 10 0 AFAERN CCNc1cc(C)c(C(C)=O)c(C)c1 902118810 582594042 /nfs/dbraw/zinc/59/40/42/582594042.db2.gz OPJSGVPVJJXNMI-UHFFFAOYSA-N 0 0 191.274 2.938 10 0 AFAERN CCCCNc1cn(C)nc1C1CC1 902210583 582594657 /nfs/dbraw/zinc/59/46/57/582594657.db2.gz NCNJPPKALUIGIO-UHFFFAOYSA-N 0 0 193.294 2.510 10 0 AFAERN CNc1cc(C)c(C(C)=O)c(C)c1 902120094 582594695 /nfs/dbraw/zinc/59/46/95/582594695.db2.gz YOVUQVGUYVPPST-UHFFFAOYSA-N 0 0 177.247 2.548 10 0 AFAERN CSC1CC2(CCC2)C1 902295520 582594878 /nfs/dbraw/zinc/59/48/78/582594878.db2.gz ASVVLXLAABPSSD-UHFFFAOYSA-N 0 0 142.267 2.682 10 0 AFAERN CCCSC[C@@H]1C[C@]12CCOC2 902296030 582594956 /nfs/dbraw/zinc/59/49/56/582594956.db2.gz JCTZHWGFUNXEPW-UWVGGRQHSA-N 0 0 186.320 2.556 10 0 AFAERN CSCC[C@@H]1C[C@H]1C1CC1 902296903 582595087 /nfs/dbraw/zinc/59/50/87/582595087.db2.gz IQYJFMWVIPIJIF-BDAKNGLRSA-N 0 0 156.294 2.786 10 0 AFAERN CCCCSCc1n[nH]cc1C 902295436 582595142 /nfs/dbraw/zinc/59/51/42/582595142.db2.gz FYOFIEDVBNQWMV-UHFFFAOYSA-N 0 0 184.308 2.751 10 0 AFAERN C/C=C\CSCc1n[nH]cc1C 902321692 582595160 /nfs/dbraw/zinc/59/51/60/582595160.db2.gz FMIHKAGRPUCYFQ-ARJAWSKDSA-N 0 0 182.292 2.527 10 0 AFAERN CCSC[C@H](COC)C(C)C 902295534 582595383 /nfs/dbraw/zinc/59/53/83/582595383.db2.gz AYGYUQLTLLCZNJ-VIFPVBQESA-N 0 0 176.325 2.658 10 0 AFAERN CSC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 902296037 582595406 /nfs/dbraw/zinc/59/54/06/582595406.db2.gz DNLARLHZTHBBLU-KVSKUHBBSA-N 0 0 178.247 2.641 10 0 AFAERN Cc1cnn(CCCC(C)(F)F)c1 902264914 582595416 /nfs/dbraw/zinc/59/54/16/582595416.db2.gz SAALLVIGGMRXGW-UHFFFAOYSA-N 0 0 188.221 2.627 10 0 AFAERN Cc1c[nH]nc1CSCC(C)C 902297150 582595425 /nfs/dbraw/zinc/59/54/25/582595425.db2.gz LIYQYFXZNYRRJY-UHFFFAOYSA-N 0 0 184.308 2.607 10 0 AFAERN CSC[C@H]1CCC2(CCC2)CO1 902298470 582595469 /nfs/dbraw/zinc/59/54/69/582595469.db2.gz RDCDWHFEFFZWDT-SECBINFHSA-N 0 0 186.320 2.699 10 0 AFAERN COCCSCCCC(C)(F)F 902293687 582595488 /nfs/dbraw/zinc/59/54/88/582595488.db2.gz LMCNBNIGACJFOK-UHFFFAOYSA-N 0 0 198.278 2.801 10 0 AFAERN CCSC[C@@H](COC)C(C)C 902295533 582595490 /nfs/dbraw/zinc/59/54/90/582595490.db2.gz AYGYUQLTLLCZNJ-SECBINFHSA-N 0 0 176.325 2.658 10 0 AFAERN CCCSC[C@@H]1C[C@@]12CCOC2 902296031 582595494 /nfs/dbraw/zinc/59/54/94/582595494.db2.gz JCTZHWGFUNXEPW-VHSXEESVSA-N 0 0 186.320 2.556 10 0 AFAERN COCCSC1CC2(CCC2)C1 902294529 582595503 /nfs/dbraw/zinc/59/55/03/582595503.db2.gz UWNXGLQEFKWVEU-UHFFFAOYSA-N 0 0 186.320 2.699 10 0 AFAERN C/C=C/CSCc1n[nH]cc1C 902321693 582595539 /nfs/dbraw/zinc/59/55/39/582595539.db2.gz FMIHKAGRPUCYFQ-ONEGZZNKSA-N 0 0 182.292 2.527 10 0 AFAERN CCSCCSC(F)(F)F 902296170 582595554 /nfs/dbraw/zinc/59/55/54/582595554.db2.gz GPBBOQJIDZZCQA-UHFFFAOYSA-N 0 0 190.255 2.993 10 0 AFAERN CSCCCC(C)(F)F 902295525 582595562 /nfs/dbraw/zinc/59/55/62/582595562.db2.gz AUMMQTPASMJRJX-UHFFFAOYSA-N 0 0 154.225 2.785 10 0 AFAERN CCCSC[C@H]1C[C@@]12CCOC2 902296029 582595580 /nfs/dbraw/zinc/59/55/80/582595580.db2.gz JCTZHWGFUNXEPW-NXEZZACHSA-N 0 0 186.320 2.556 10 0 AFAERN CSC[C@@H]1CCC2(CCC2)CO1 902298472 582595629 /nfs/dbraw/zinc/59/56/29/582595629.db2.gz RDCDWHFEFFZWDT-VIFPVBQESA-N 0 0 186.320 2.699 10 0 AFAERN CCCSC[C@H]1C[C@]12CCOC2 902296032 582595725 /nfs/dbraw/zinc/59/57/25/582595725.db2.gz JCTZHWGFUNXEPW-ZJUUUORDSA-N 0 0 186.320 2.556 10 0 AFAERN C1C[C@]2(CO1)C[C@@H]2CSCC1CC1 902344334 582595765 /nfs/dbraw/zinc/59/57/65/582595765.db2.gz XYCUVCDPTGZSEE-GHMZBOCLSA-N 0 0 198.331 2.556 10 0 AFAERN C1C[C@]2(CO1)C[C@H]2CSCC1CC1 902344337 582595878 /nfs/dbraw/zinc/59/58/78/582595878.db2.gz XYCUVCDPTGZSEE-WDEREUQCSA-N 0 0 198.331 2.556 10 0 AFAERN C1C[C@@]2(CO1)C[C@H]2CSCC1CC1 902344336 582595889 /nfs/dbraw/zinc/59/58/89/582595889.db2.gz XYCUVCDPTGZSEE-QWRGUYRKSA-N 0 0 198.331 2.556 10 0 AFAERN c1cc(CCSCC2CC2)sn1 902342366 582595990 /nfs/dbraw/zinc/59/59/90/582595990.db2.gz JYPKNBYIRREGHQ-UHFFFAOYSA-N 0 0 199.344 2.829 10 0 AFAERN CC(C)SC[C@H]1C[C@@]12CCOC2 902314167 582596051 /nfs/dbraw/zinc/59/60/51/582596051.db2.gz XRLCQYGWLJDNLR-NXEZZACHSA-N 0 0 186.320 2.555 10 0 AFAERN CC(C)SC[C@H]1C[C@]12CCOC2 902314170 582596078 /nfs/dbraw/zinc/59/60/78/582596078.db2.gz XRLCQYGWLJDNLR-ZJUUUORDSA-N 0 0 186.320 2.555 10 0 AFAERN Cc1cc(CSC(C)C)c(C)nn1 902314193 582596096 /nfs/dbraw/zinc/59/60/96/582596096.db2.gz YUOMRDSUTDEPCV-UHFFFAOYSA-N 0 0 196.319 2.735 10 0 AFAERN CC(C)SCCc1ccns1 902313976 582596197 /nfs/dbraw/zinc/59/61/97/582596197.db2.gz WNIGTBRGFOPSLK-UHFFFAOYSA-N 0 0 187.333 2.827 10 0 AFAERN CCCSCc1cc(C)nnc1C 902299555 582596254 /nfs/dbraw/zinc/59/62/54/582596254.db2.gz YWGRFCKGTQOHGD-UHFFFAOYSA-N 0 0 196.319 2.737 10 0 AFAERN CC(C)SC[C@@H]1C[C@]12CCOC2 902314168 582596329 /nfs/dbraw/zinc/59/63/29/582596329.db2.gz XRLCQYGWLJDNLR-UWVGGRQHSA-N 0 0 186.320 2.555 10 0 AFAERN CC(C)SC[C@@H]1C[C@@]12CCOC2 902314169 582596377 /nfs/dbraw/zinc/59/63/77/582596377.db2.gz XRLCQYGWLJDNLR-VHSXEESVSA-N 0 0 186.320 2.555 10 0 AFAERN C1C[C@@]2(CO1)C[C@@H]2CSCC1CC1 902344335 582596400 /nfs/dbraw/zinc/59/64/00/582596400.db2.gz XYCUVCDPTGZSEE-MNOVXSKESA-N 0 0 198.331 2.556 10 0 AFAERN CCCSCCc1ccns1 902299057 582596531 /nfs/dbraw/zinc/59/65/31/582596531.db2.gz VVXBMOKLXXJBAJ-UHFFFAOYSA-N 0 0 187.333 2.829 10 0 AFAERN C/C=C/CSCCc1ccns1 902322687 582596845 /nfs/dbraw/zinc/59/68/45/582596845.db2.gz NDZSPKHJFFKJIQ-NSCUHMNNSA-N 0 0 199.344 2.995 10 0 AFAERN C/C=C\CSCCc1ccns1 902322685 582596928 /nfs/dbraw/zinc/59/69/28/582596928.db2.gz NDZSPKHJFFKJIQ-IHWYPQMZSA-N 0 0 199.344 2.995 10 0 AFAERN CC[C@@H]1C[C@H]1CSCc1ccno1 902328291 582597014 /nfs/dbraw/zinc/59/70/14/582597014.db2.gz QKVFIRPEHKPZPG-BDAKNGLRSA-N 0 0 197.303 2.954 10 0 AFAERN C/C=C\CSC[C@@H]1C[C@]12CCOC2 902322133 582597034 /nfs/dbraw/zinc/59/70/34/582597034.db2.gz HZFVLASPMVXPJM-NPRAVPSUSA-N 0 0 198.331 2.722 10 0 AFAERN C/C=C/CSC[C@@H]1C[C@]12CCOC2 902322135 582597156 /nfs/dbraw/zinc/59/71/56/582597156.db2.gz HZFVLASPMVXPJM-ZNRGBCAMSA-N 0 0 198.331 2.722 10 0 AFAERN C/C=C/CSC[C@@H]1C[C@@]12CCOC2 902322137 582597314 /nfs/dbraw/zinc/59/73/14/582597314.db2.gz HZFVLASPMVXPJM-ZROCKMJXSA-N 0 0 198.331 2.722 10 0 AFAERN C/C=C\CSC[C@@H]1C[C@@]12CCOC2 902322131 582597380 /nfs/dbraw/zinc/59/73/80/582597380.db2.gz HZFVLASPMVXPJM-MMJBKMRYSA-N 0 0 198.331 2.722 10 0 AFAERN CCC(F)(F)CS[C@H](C)COC 902337256 582597565 /nfs/dbraw/zinc/59/75/65/582597565.db2.gz LBIMBZWUMWUIKZ-SSDOTTSWSA-N 0 0 198.278 2.800 10 0 AFAERN c1cc(CSCC2CCCC2)n[nH]1 902366143 582597577 /nfs/dbraw/zinc/59/75/77/582597577.db2.gz MBFASMQYESGWAD-UHFFFAOYSA-N 0 0 196.319 2.833 10 0 AFAERN CCC(F)(F)CS[C@@H](C)COC 902337257 582597631 /nfs/dbraw/zinc/59/76/31/582597631.db2.gz LBIMBZWUMWUIKZ-ZETCQYMHSA-N 0 0 198.278 2.800 10 0 AFAERN C=C/C=C\CCSCCC1(O)CC1 902367014 582597659 /nfs/dbraw/zinc/59/76/59/582597659.db2.gz ACFYAXBJZMFHPR-ARJAWSKDSA-N 0 0 198.331 2.767 10 0 AFAERN C=C/C=C/CCSCCC1(O)CC1 902367015 582598094 /nfs/dbraw/zinc/59/80/94/582598094.db2.gz ACFYAXBJZMFHPR-ONEGZZNKSA-N 0 0 198.331 2.767 10 0 AFAERN CCC(F)(F)CSCCCOC 902367523 582598564 /nfs/dbraw/zinc/59/85/64/582598564.db2.gz KCPBPYXPWABENL-UHFFFAOYSA-N 0 0 198.278 2.801 10 0 AFAERN CCC(F)(F)CSC[C@@H](C)OC 902361064 582598784 /nfs/dbraw/zinc/59/87/84/582598784.db2.gz XEJQQKGPJSXAKD-SSDOTTSWSA-N 0 0 198.278 2.800 10 0 AFAERN CCC(F)(F)CSC[C@H](C)OC 902361065 582599580 /nfs/dbraw/zinc/59/95/80/582599580.db2.gz XEJQQKGPJSXAKD-ZETCQYMHSA-N 0 0 198.278 2.800 10 0 AFAERN CC(C)=CCSCc1n[nH]cc1C 902391399 582601779 /nfs/dbraw/zinc/60/17/79/582601779.db2.gz VRJIVKYXVXWWFC-UHFFFAOYSA-N 0 0 196.319 2.918 10 0 AFAERN CC[C@@H](C)CSCc1n[nH]cc1C 902400459 582602270 /nfs/dbraw/zinc/60/22/70/582602270.db2.gz RMEHBTSDXCRMSV-MRVPVSSYSA-N 0 0 198.335 2.997 10 0 AFAERN CC[C@H](C)CSCc1n[nH]cc1C 902400460 582602986 /nfs/dbraw/zinc/60/29/86/582602986.db2.gz RMEHBTSDXCRMSV-QMMMGPOBSA-N 0 0 198.335 2.997 10 0 AFAERN CCC(F)(F)CSCC[C@H](C)O 902423827 582604661 /nfs/dbraw/zinc/60/46/61/582604661.db2.gz HDCXKYXMBVDCRA-ZETCQYMHSA-N 0 0 198.278 2.536 10 0 AFAERN CCC(F)(F)CSCC[C@@H](C)O 902423825 582604696 /nfs/dbraw/zinc/60/46/96/582604696.db2.gz HDCXKYXMBVDCRA-SSDOTTSWSA-N 0 0 198.278 2.536 10 0 AFAERN C=C/C=C\CCSC[C@H]1CCOC1 902451621 582606278 /nfs/dbraw/zinc/60/62/78/582606278.db2.gz GALFBKNKSHEHMO-BYCRGOAPSA-N 0 0 198.331 2.888 10 0 AFAERN C=C/C=C/CCSC[C@@H]1CCOC1 902451983 582606378 /nfs/dbraw/zinc/60/63/78/582606378.db2.gz GALFBKNKSHEHMO-PGLGOXFNSA-N 0 0 198.331 2.888 10 0 AFAERN C=C/C=C\CCSC[C@@H]1CCOC1 902451623 582606387 /nfs/dbraw/zinc/60/63/87/582606387.db2.gz GALFBKNKSHEHMO-DLRQAJBASA-N 0 0 198.331 2.888 10 0 AFAERN C=C/C=C/CCSC[C@H]1CCOC1 902451984 582606456 /nfs/dbraw/zinc/60/64/56/582606456.db2.gz GALFBKNKSHEHMO-UFFNRZRYSA-N 0 0 198.331 2.888 10 0 AFAERN CC[C@@H]1C[C@H]1Cn1cc(C2CC2)cn1 902467090 582607067 /nfs/dbraw/zinc/60/70/67/582607067.db2.gz MYTSAOOQHCXZMS-KOLCDFICSA-N 0 0 190.290 2.807 10 0 AFAERN CC(C)C[C@@H](C)COCc1cn[nH]c1 902589614 582608828 /nfs/dbraw/zinc/60/88/28/582608828.db2.gz ZHHJDUJUMCEKEQ-SNVBAGLBSA-N 0 0 196.294 2.609 10 0 AFAERN C[C@@H](COCc1cn[nH]c1)C(C)(C)C 902589551 582608872 /nfs/dbraw/zinc/60/88/72/582608872.db2.gz XIWHSLDTWCRUIH-VIFPVBQESA-N 0 0 196.294 2.609 10 0 AFAERN C[C@H](COCc1cn[nH]c1)C(C)(C)C 902589548 582609048 /nfs/dbraw/zinc/60/90/48/582609048.db2.gz XIWHSLDTWCRUIH-SECBINFHSA-N 0 0 196.294 2.609 10 0 AFAERN CC(C)C[C@H](C)COCc1cn[nH]c1 902589613 582609341 /nfs/dbraw/zinc/60/93/41/582609341.db2.gz ZHHJDUJUMCEKEQ-JTQLQIEISA-N 0 0 196.294 2.609 10 0 AFAERN c1n[nH]cc1COCCCC1CCC1 902589503 582609525 /nfs/dbraw/zinc/60/95/25/582609525.db2.gz WVSRGDXZNDFNQR-UHFFFAOYSA-N 0 0 194.278 2.507 10 0 AFAERN c1n[nH]cc1COCC1CCCCC1 902588483 582609807 /nfs/dbraw/zinc/60/98/07/582609807.db2.gz OBCJHUIRKNCFGR-UHFFFAOYSA-N 0 0 194.278 2.507 10 0 AFAERN CCCCCCOCc1cn[nH]c1 902587661 582609918 /nfs/dbraw/zinc/60/99/18/582609918.db2.gz AVCWPBZNWFZKOJ-UHFFFAOYSA-N 0 0 182.267 2.507 10 0 AFAERN CCC(C)(C)CCOCc1cn[nH]c1 902588247 582610122 /nfs/dbraw/zinc/61/01/22/582610122.db2.gz ICAORESEVNFBSV-UHFFFAOYSA-N 0 0 196.294 2.753 10 0 AFAERN CC(C)(C)CCCOCc1cn[nH]c1 902588884 582610515 /nfs/dbraw/zinc/61/05/15/582610515.db2.gz UJOFQRKHEJPLKG-UHFFFAOYSA-N 0 0 196.294 2.753 10 0 AFAERN c1n[nH]cc1COCCC1CCCC1 902589185 582610558 /nfs/dbraw/zinc/61/05/58/582610558.db2.gz XXWKZKFJAREQGT-UHFFFAOYSA-N 0 0 194.278 2.507 10 0 AFAERN CCCn1c(C)cc(C)c(Cl)c1=O 902673385 582611410 /nfs/dbraw/zinc/61/14/10/582611410.db2.gz UMDRXFOJHMPOAW-UHFFFAOYSA-N 0 0 199.681 2.529 10 0 AFAERN CCc1nc2ccccc2cc1OC 902694951 582611782 /nfs/dbraw/zinc/61/17/82/582611782.db2.gz UFBRTVUZTCDLHG-UHFFFAOYSA-N 0 0 187.242 2.806 10 0 AFAERN O=c1cc(Cl)ccn1C1CCCC1 902651286 582611936 /nfs/dbraw/zinc/61/19/36/582611936.db2.gz APOGTPRQHKFIAU-UHFFFAOYSA-N 0 0 197.665 2.617 10 0 AFAERN CC(C)Nc1cc(F)cc(N(C)C)c1 903143693 582622083 /nfs/dbraw/zinc/62/20/83/582622083.db2.gz XZXGOXQIMRBERW-UHFFFAOYSA-N 0 0 196.269 2.712 10 0 AFAERN FCCc1nc(C2CCCCC2)no1 903276076 582622672 /nfs/dbraw/zinc/62/26/72/582622672.db2.gz HQFIXZKVVABNHJ-UHFFFAOYSA-N 0 0 198.241 2.629 10 0 AFAERN Cc1noc([C@@H]2CCC=CCCC2)n1 903316010 582623070 /nfs/dbraw/zinc/62/30/70/582623070.db2.gz BLXUHYFPWCSFFN-SNVBAGLBSA-N 0 0 192.262 2.982 10 0 AFAERN Cc1noc([C@H]2CCC=CCCC2)n1 903316009 582623075 /nfs/dbraw/zinc/62/30/75/582623075.db2.gz BLXUHYFPWCSFFN-JTQLQIEISA-N 0 0 192.262 2.982 10 0 AFAERN CCC[C@H](C)CCCN1CC=CCN1 903491175 582625641 /nfs/dbraw/zinc/62/56/41/582625641.db2.gz YIVTXZGLNNKDDS-LBPRGKRZSA-N 0 0 196.338 2.579 10 0 AFAERN CCC[C@@H](C)CCCN1CC=CCN1 903491174 582625917 /nfs/dbraw/zinc/62/59/17/582625917.db2.gz YIVTXZGLNNKDDS-GFCCVEGCSA-N 0 0 196.338 2.579 10 0 AFAERN C[C@H](OC(=O)[C@@]12CCC[C@@H]1C2)C1CC1 904086705 582632154 /nfs/dbraw/zinc/63/21/54/582632154.db2.gz MKODVJAWTXDIOL-MKPLZMMCSA-N 0 0 194.274 2.518 10 0 AFAERN CC(C)[C@@H](C)OC(=O)C1CCCC1 148812802 582640246 /nfs/dbraw/zinc/64/02/46/582640246.db2.gz GBGKQGYBCLAYLY-SECBINFHSA-N 0 0 184.279 2.764 10 0 AFAERN c1cc(-c2cc[nH]c2)c(C2CC2)cn1 904844979 582640541 /nfs/dbraw/zinc/64/05/41/582640541.db2.gz ZJNQJTPZFZXUEE-UHFFFAOYSA-N 0 0 184.242 2.954 10 0 AFAERN c1cc(-c2cc[nH]c2)c2c(n1)CCCC2 904843400 582640712 /nfs/dbraw/zinc/64/07/12/582640712.db2.gz LGBXVUNEUXPFDB-UHFFFAOYSA-N 0 0 198.269 2.956 10 0 AFAERN CC(C)[C@H](C)OC(=O)C(C)(C)C 148862784 582641246 /nfs/dbraw/zinc/64/12/46/582641246.db2.gz JUOPOGMKKYLKSX-QMMMGPOBSA-N 0 0 172.268 2.620 10 0 AFAERN CCc1nc(-c2ccns2)cs1 905017408 582641653 /nfs/dbraw/zinc/64/16/53/582641653.db2.gz FGTSZKFGVWYKSG-UHFFFAOYSA-N 0 0 196.300 2.829 10 0 AFAERN CC(C)[C@@H](C)OC(=O)C(C)(C)C 148862588 582641682 /nfs/dbraw/zinc/64/16/82/582641682.db2.gz JUOPOGMKKYLKSX-MRVPVSSYSA-N 0 0 172.268 2.620 10 0 AFAERN c1cc(OCC2CC2)c2ocnc2c1 905100472 582642305 /nfs/dbraw/zinc/64/23/05/582642305.db2.gz QXGSXCIHFFOYGJ-UHFFFAOYSA-N 0 0 189.214 2.617 10 0 AFAERN CCCOc1cccc2ncoc12 905099648 582642366 /nfs/dbraw/zinc/64/23/66/582642366.db2.gz FDJRJJDPNWQKGC-UHFFFAOYSA-N 0 0 177.203 2.617 10 0 AFAERN CC(C)COc1cccc2ncoc12 905100593 582642514 /nfs/dbraw/zinc/64/25/14/582642514.db2.gz UTKXJQISZOKSEI-UHFFFAOYSA-N 0 0 191.230 2.863 10 0 AFAERN CCCCC[S@@](=O)C/C=C\Cl 905165971 582644452 /nfs/dbraw/zinc/64/44/52/582644452.db2.gz GRJBQSAWAMENAV-ISALQUGTSA-N 0 0 194.727 2.678 10 0 AFAERN CCCCC[S@](=O)C/C=C\Cl 905165970 582644511 /nfs/dbraw/zinc/64/45/11/582644511.db2.gz GRJBQSAWAMENAV-GZTOBOFZSA-N 0 0 194.727 2.678 10 0 AFAERN CCCCC[S@](=O)C/C=C/Cl 905165973 582644606 /nfs/dbraw/zinc/64/46/06/582644606.db2.gz GRJBQSAWAMENAV-QRGHLMKCSA-N 0 0 194.727 2.678 10 0 AFAERN CCCCC[S@@](=O)C/C=C/Cl 905165972 582644690 /nfs/dbraw/zinc/64/46/90/582644690.db2.gz GRJBQSAWAMENAV-MVIFTORASA-N 0 0 194.727 2.678 10 0 AFAERN Nc1cc(O)cc(-c2ccccc2)c1 148948435 582648530 /nfs/dbraw/zinc/64/85/30/582648530.db2.gz CABWFVWADSTNKX-UHFFFAOYSA-N 0 0 185.226 2.641 10 0 AFAERN CC1(CNc2cc(F)ccn2)CCC1 905422125 582648678 /nfs/dbraw/zinc/64/86/78/582648678.db2.gz YBRXNCLLDOHDOV-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN C=C[C@H](CC)OC(=O)[C@H]1CC=CCC1 148987620 582650121 /nfs/dbraw/zinc/65/01/21/582650121.db2.gz RPNAOFPVLOAQCF-WDEREUQCSA-N 0 0 194.274 2.851 10 0 AFAERN C=C[C@H](CC)OC(=O)[C@@H]1CC=CCC1 148988003 582650191 /nfs/dbraw/zinc/65/01/91/582650191.db2.gz RPNAOFPVLOAQCF-GHMZBOCLSA-N 0 0 194.274 2.851 10 0 AFAERN Cc1nc(C)c(-c2ccncc2C)o1 906155909 582654237 /nfs/dbraw/zinc/65/42/37/582654237.db2.gz AJBVYWFJVHRZKN-UHFFFAOYSA-N 0 0 188.230 2.662 10 0 AFAERN Cc1ncc(-c2coc(C)c2)c(C)n1 906177298 582654882 /nfs/dbraw/zinc/65/48/82/582654882.db2.gz CDEBTNZHYFPLTD-UHFFFAOYSA-N 0 0 188.230 2.662 10 0 AFAERN Cc1nc(C)c(-c2cnccc2C)o1 906185880 582654981 /nfs/dbraw/zinc/65/49/81/582654981.db2.gz RTMGWLPJQNTWBC-UHFFFAOYSA-N 0 0 188.230 2.662 10 0 AFAERN Cc1nc(C)c(-c2c(C)noc2C)o1 906164481 582655013 /nfs/dbraw/zinc/65/50/13/582655013.db2.gz KOFODFCQAQHATH-UHFFFAOYSA-N 0 0 192.218 2.563 10 0 AFAERN Cc1nc(C)c(-c2cocc2C)o1 906175165 582655082 /nfs/dbraw/zinc/65/50/82/582655082.db2.gz QNYLTVDXJZYMBM-UHFFFAOYSA-N 0 0 177.203 2.860 10 0 AFAERN Cc1cc(-c2oc(C)nc2C)ccn1 906162945 582655179 /nfs/dbraw/zinc/65/51/79/582655179.db2.gz LAWJUULYTMQYKM-UHFFFAOYSA-N 0 0 188.230 2.662 10 0 AFAERN Cc1cc(-c2oc(C)nc2C)co1 906179753 582655245 /nfs/dbraw/zinc/65/52/45/582655245.db2.gz YITIXNITIMHUEH-UHFFFAOYSA-N 0 0 177.203 2.860 10 0 AFAERN Cc1cncc(-c2oc(C)nc2C)c1 906171630 582655264 /nfs/dbraw/zinc/65/52/64/582655264.db2.gz BVWVLUROIBEMHD-UHFFFAOYSA-N 0 0 188.230 2.662 10 0 AFAERN CC(C)CC(=O)O[C@@H](C)C(C)C 149108665 582655283 /nfs/dbraw/zinc/65/52/83/582655283.db2.gz QHNMTYMWSUDOHH-VIFPVBQESA-N 0 0 172.268 2.620 10 0 AFAERN Cc1ccc(-c2oc(C)nc2C)o1 906164926 582655303 /nfs/dbraw/zinc/65/53/03/582655303.db2.gz XIFOOIJFXJVENR-UHFFFAOYSA-N 0 0 177.203 2.860 10 0 AFAERN Cc1coc(-c2oc(C)nc2C)c1 906177094 582655311 /nfs/dbraw/zinc/65/53/11/582655311.db2.gz ONASRRRUENSIJC-UHFFFAOYSA-N 0 0 177.203 2.860 10 0 AFAERN Cc1ncc(-c2cocc2C)c(C)n1 906174943 582655385 /nfs/dbraw/zinc/65/53/85/582655385.db2.gz LEIWLEVFAMXMAP-UHFFFAOYSA-N 0 0 188.230 2.662 10 0 AFAERN Cc1cc(-c2cccc(C)n2)ccn1 149180263 582657701 /nfs/dbraw/zinc/65/77/01/582657701.db2.gz YWSAKSLJAPFYNI-UHFFFAOYSA-N 0 0 184.242 2.760 10 0 AFAERN CCCCc1ccc(N)c(C(C)=O)c1 196618747 582662513 /nfs/dbraw/zinc/66/25/13/582662513.db2.gz KRLNHJAILMWFLL-UHFFFAOYSA-N 0 0 191.274 2.814 10 0 AFAERN CCCCCC(=O)N1CCC(C)CC1 5459248 582663585 /nfs/dbraw/zinc/66/35/85/582663585.db2.gz CLPNBCZLEOZJMO-UHFFFAOYSA-N 0 0 197.322 2.825 10 0 AFAERN CC[C@H](C)N(CC)C(=O)OC(C)C 126963359 582666038 /nfs/dbraw/zinc/66/60/38/582666038.db2.gz NICXSDSOOIZGPA-VIFPVBQESA-N 0 0 187.283 2.652 10 0 AFAERN CC(C)N1CC2(CC2)c2ccccc21 202380852 582666081 /nfs/dbraw/zinc/66/60/81/582666081.db2.gz CKXJPTDROIDNDN-UHFFFAOYSA-N 0 0 187.286 2.947 10 0 AFAERN CC1(OC(=O)[C@H]2C[C@@H]2C2CC2)CCC1 757923920 582666521 /nfs/dbraw/zinc/66/65/21/582666521.db2.gz BOUOIQMWCYSDAV-ZJUUUORDSA-N 0 0 194.274 2.518 10 0 AFAERN O=C(O[C@@H]1C=CCCC1)C1CC=CC1 741043462 582666767 /nfs/dbraw/zinc/66/67/67/582666767.db2.gz DKYONYRZCDDVDL-LLVKDONJSA-N 0 0 192.258 2.605 10 0 AFAERN O=C(O[C@H]1C=CCCC1)C1CC=CC1 741043463 582666797 /nfs/dbraw/zinc/66/67/97/582666797.db2.gz DKYONYRZCDDVDL-NSHDSACASA-N 0 0 192.258 2.605 10 0 AFAERN C/C=C\COC(=O)CC1=CCCCC1 730337359 582666814 /nfs/dbraw/zinc/66/68/14/582666814.db2.gz BNCKBYPWLWCZIH-IHWYPQMZSA-N 0 0 194.274 2.996 10 0 AFAERN C/C=C/COC(=O)CC1=CCCCC1 730337360 582666959 /nfs/dbraw/zinc/66/69/59/582666959.db2.gz BNCKBYPWLWCZIH-NSCUHMNNSA-N 0 0 194.274 2.996 10 0 AFAERN CCc1cccc2cc(O)c(C)nc12 223977211 582667846 /nfs/dbraw/zinc/66/78/46/582667846.db2.gz RUGISAGGQIWAOR-UHFFFAOYSA-N 0 0 187.242 2.811 10 0 AFAERN CC(C)(C)C(=O)OCC1CC=CC1 223434430 582667933 /nfs/dbraw/zinc/66/79/33/582667933.db2.gz HULZINOGVZFOJG-UHFFFAOYSA-N 0 0 182.263 2.542 10 0 AFAERN Nc1cccc2c1ccn2C1CCC1 224406200 582668112 /nfs/dbraw/zinc/66/81/12/582668112.db2.gz WBEISZNCQMFKTB-UHFFFAOYSA-N 0 0 186.258 2.949 10 0 AFAERN C=C(OCC)c1ccc(C=O)cc1 224994385 582668254 /nfs/dbraw/zinc/66/82/54/582668254.db2.gz UXALBERMBSZVJQ-UHFFFAOYSA-N 0 0 176.215 2.506 10 0 AFAERN C=C(C)c1ccc(C=O)c(F)c1 224982592 582668359 /nfs/dbraw/zinc/66/83/59/582668359.db2.gz SWLYXBTYZDJOSX-UHFFFAOYSA-N 0 0 164.179 2.671 10 0 AFAERN COc1ccnc2cc(F)c(F)cc12 224994708 582668445 /nfs/dbraw/zinc/66/84/45/582668445.db2.gz FMMGQPWDALWFIH-UHFFFAOYSA-N 0 0 195.168 2.522 10 0 AFAERN CC1(C)C[C@H]1c1nc(C2CCC2)no1 761640603 582669614 /nfs/dbraw/zinc/66/96/14/582669614.db2.gz AAWVFBGJAVGRCD-QMMMGPOBSA-N 0 0 192.262 2.851 10 0 AFAERN CC(C)CCCC(=O)OCC(F)F 835092552 582672033 /nfs/dbraw/zinc/67/20/33/582672033.db2.gz UAYPINMMBQCXCM-UHFFFAOYSA-N 0 0 194.221 2.621 10 0 AFAERN C/C(=C\C(=O)O[C@H](C)C(C)C)C1CC1 763544799 582672519 /nfs/dbraw/zinc/67/25/19/582672519.db2.gz TUVVKNLHAJNOND-TTZKWOQHSA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)[C@@H](C)OC(=O)[C@H]1CC12CCC2 763549508 582672542 /nfs/dbraw/zinc/67/25/42/582672542.db2.gz VZUHQDGCVDMOGC-NXEZZACHSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@H]1CC12CCC2 763549514 582672666 /nfs/dbraw/zinc/67/26/66/582672666.db2.gz VZUHQDGCVDMOGC-VHSXEESVSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@@H]1CC12CCC2 763549510 582672680 /nfs/dbraw/zinc/67/26/80/582672680.db2.gz VZUHQDGCVDMOGC-UWVGGRQHSA-N 0 0 196.290 2.764 10 0 AFAERN C/C(=C/C(=O)O[C@@H](C)C(C)C)C1CC1 763544792 582672791 /nfs/dbraw/zinc/67/27/91/582672791.db2.gz TUVVKNLHAJNOND-RNKPRXRFSA-N 0 0 196.290 2.930 10 0 AFAERN C/C(=C\C(=O)O[C@@H](C)C(C)C)C1CC1 763544791 582672804 /nfs/dbraw/zinc/67/28/04/582672804.db2.gz TUVVKNLHAJNOND-PCYYEKQGSA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)[C@@H](C)OC(=O)[C@@H]1CC12CCC2 763549515 582672840 /nfs/dbraw/zinc/67/28/40/582672840.db2.gz VZUHQDGCVDMOGC-ZJUUUORDSA-N 0 0 196.290 2.764 10 0 AFAERN C/C(=C/C(=O)O[C@H](C)C(C)C)C1CC1 763544802 582673056 /nfs/dbraw/zinc/67/30/56/582673056.db2.gz TUVVKNLHAJNOND-UJICNMFASA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)[C@H](C)OC(=O)[C@H]1C[C@@H]1C1CC1 763548511 582673308 /nfs/dbraw/zinc/67/33/08/582673308.db2.gz OZMRHKYGMJQWOI-GDPRMGEGSA-N 0 0 196.290 2.620 10 0 AFAERN C[C@H]1C[C@@H]1COC(=O)C1(C)CCCC1 731769280 582673726 /nfs/dbraw/zinc/67/37/26/582673726.db2.gz PHRDHSAYCNGRKJ-VHSXEESVSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)C1(C)CCCC1 731769281 582674018 /nfs/dbraw/zinc/67/40/18/582674018.db2.gz PHRDHSAYCNGRKJ-ZJUUUORDSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)C1(C)CCCC1 731769278 582674144 /nfs/dbraw/zinc/67/41/44/582674144.db2.gz PHRDHSAYCNGRKJ-NXEZZACHSA-N 0 0 196.290 2.766 10 0 AFAERN C[C@H]1C[C@H]1COC(=O)C1(C)CCCC1 731769279 582674287 /nfs/dbraw/zinc/67/42/87/582674287.db2.gz PHRDHSAYCNGRKJ-UWVGGRQHSA-N 0 0 196.290 2.766 10 0 AFAERN CCC/C(C)=C\C(=O)NC1(C)CCC1 754879592 582674530 /nfs/dbraw/zinc/67/45/30/582674530.db2.gz FQUSPNQLVNAEDR-KTKRTIGZSA-N 0 0 195.306 2.792 10 0 AFAERN CC(C)CN(C)C(=O)/C=C\C(C)(C)C 731879280 582674549 /nfs/dbraw/zinc/67/45/49/582674549.db2.gz VSAHJHDLEKATCE-FPLPWBNLSA-N 0 0 197.322 2.703 10 0 AFAERN CC(C)(C)/C=C\C(=O)NC1CCCC1 731875308 582674656 /nfs/dbraw/zinc/67/46/56/582674656.db2.gz ZVJCACJFFNGVJO-HJWRWDBZSA-N 0 0 195.306 2.648 10 0 AFAERN C/C=C/C=C/C(=O)N(C)C[C@@H](C)CC 731996885 582674676 /nfs/dbraw/zinc/67/46/76/582674676.db2.gz HHPKMQHBIZVJAT-YHQINJFKSA-N 0 0 195.306 2.623 10 0 AFAERN CCC(C)(C)NC(=O)/C=C\C(C)(C)C 731894327 582674717 /nfs/dbraw/zinc/67/47/17/582674717.db2.gz MBQMMLNENBFVEF-HJWRWDBZSA-N 0 0 197.322 2.894 10 0 AFAERN CCC/C(C)=C/C(=O)NC1(C)CCC1 754879593 582674718 /nfs/dbraw/zinc/67/47/18/582674718.db2.gz FQUSPNQLVNAEDR-MDZDMXLPSA-N 0 0 195.306 2.792 10 0 AFAERN C/C=C/C=C\C(=O)N(C)C[C@@H](C)CC 731996883 582674796 /nfs/dbraw/zinc/67/47/96/582674796.db2.gz HHPKMQHBIZVJAT-WXCFSOERSA-N 0 0 195.306 2.623 10 0 AFAERN CC(C)CN(C)C(=O)/C=C/C(C)(C)C 731879278 582674866 /nfs/dbraw/zinc/67/48/66/582674866.db2.gz VSAHJHDLEKATCE-BQYQJAHWSA-N 0 0 197.322 2.703 10 0 AFAERN CCC(C)(C)NC(=O)/C=C/C(C)(C)C 731894326 582674891 /nfs/dbraw/zinc/67/48/91/582674891.db2.gz MBQMMLNENBFVEF-CMDGGOBGSA-N 0 0 197.322 2.894 10 0 AFAERN C/C=C/C=C\C(=O)N(C)C[C@H](C)CC 731996882 582674919 /nfs/dbraw/zinc/67/49/19/582674919.db2.gz HHPKMQHBIZVJAT-RASKIFNRSA-N 0 0 195.306 2.623 10 0 AFAERN CCCCN(C)C(=O)/C=C\C(C)(C)C 731876178 582674981 /nfs/dbraw/zinc/67/49/81/582674981.db2.gz XGEPUSRXVHBOHB-HJWRWDBZSA-N 0 0 197.322 2.847 10 0 AFAERN C/C=C/C=C/C(=O)N(C)C[C@H](C)CC 731996880 582675086 /nfs/dbraw/zinc/67/50/86/582675086.db2.gz HHPKMQHBIZVJAT-DJDXBGSKSA-N 0 0 195.306 2.623 10 0 AFAERN CCC(CC)NC(=O)/C=C/C(C)(C)C 731875259 582675120 /nfs/dbraw/zinc/67/51/20/582675120.db2.gz XZRKRXNQOBSTOZ-CMDGGOBGSA-N 0 0 197.322 2.894 10 0 AFAERN CCC(CC)NC(=O)/C=C\C(C)(C)C 731875260 582675140 /nfs/dbraw/zinc/67/51/40/582675140.db2.gz XZRKRXNQOBSTOZ-HJWRWDBZSA-N 0 0 197.322 2.894 10 0 AFAERN CCCCCNC(=O)/C=C\C(C)(C)C 731874825 582675162 /nfs/dbraw/zinc/67/51/62/582675162.db2.gz VDNUXHTZWKAIKK-HJWRWDBZSA-N 0 0 197.322 2.895 10 0 AFAERN CC(C)CCNC(=O)/C=C\C(C)(C)C 731873899 582675181 /nfs/dbraw/zinc/67/51/81/582675181.db2.gz CGZZQVMOSSAMMQ-VURMDHGXSA-N 0 0 197.322 2.751 10 0 AFAERN CC[C@@H](C)c1nc(C(C)=O)cs1 70848555 582676043 /nfs/dbraw/zinc/67/60/43/582676043.db2.gz MIAGBCZWBRMGQH-ZCFIWIBFSA-N 0 0 183.276 2.859 10 0 AFAERN Cc1ccc(OCCCCF)cn1 393551209 582676242 /nfs/dbraw/zinc/67/62/42/582676242.db2.gz ZCSNYYQZNMCBFB-UHFFFAOYSA-N 0 0 183.226 2.519 10 0 AFAERN CC[C@H](C)c1nc(C(C)=O)cs1 70848559 582676401 /nfs/dbraw/zinc/67/64/01/582676401.db2.gz MIAGBCZWBRMGQH-LURJTMIESA-N 0 0 183.276 2.859 10 0 AFAERN O=C(Oc1cccc(Cl)c1)C1CC1 218857733 582678778 /nfs/dbraw/zinc/67/87/78/582678778.db2.gz CAJYVXCFTWKANT-UHFFFAOYSA-N 0 0 196.633 2.655 10 0 AFAERN CC(C)[C@@H](C)C(=O)OCc1ccoc1 733681824 582679266 /nfs/dbraw/zinc/67/92/66/582679266.db2.gz AXTWVOALDWHUDH-SECBINFHSA-N 0 0 196.246 2.615 10 0 AFAERN CC(C)[C@H](C)C(=O)OCc1ccoc1 733681825 582679288 /nfs/dbraw/zinc/67/92/88/582679288.db2.gz AXTWVOALDWHUDH-VIFPVBQESA-N 0 0 196.246 2.615 10 0 AFAERN Cc1occc1COC(=O)CC(C)C 733701485 582679303 /nfs/dbraw/zinc/67/93/03/582679303.db2.gz JPAFOHBCOBDZLC-UHFFFAOYSA-N 0 0 196.246 2.677 10 0 AFAERN CC[C@@H](C)C(=O)OCc1ccoc1C 733701826 582679461 /nfs/dbraw/zinc/67/94/61/582679461.db2.gz OKAOPTRZDZVHAN-MRVPVSSYSA-N 0 0 196.246 2.677 10 0 AFAERN CC(C)=CC(=O)OCc1ccoc1C 733701349 582679494 /nfs/dbraw/zinc/67/94/94/582679494.db2.gz INYDEWUJEGUSTN-UHFFFAOYSA-N 0 0 194.230 2.597 10 0 AFAERN Cc1occc1COC(=O)C(C)(C)C 733700728 582679506 /nfs/dbraw/zinc/67/95/06/582679506.db2.gz STWGTFQMWDYTAM-UHFFFAOYSA-N 0 0 196.246 2.677 10 0 AFAERN CC[C@H](C)C(=O)OCc1ccoc1C 733701827 582679524 /nfs/dbraw/zinc/67/95/24/582679524.db2.gz OKAOPTRZDZVHAN-QMMMGPOBSA-N 0 0 196.246 2.677 10 0 AFAERN CCCCC(=O)OCc1ccoc1C 733701908 582679772 /nfs/dbraw/zinc/67/97/72/582679772.db2.gz VPSJRLXVGAKZTI-UHFFFAOYSA-N 0 0 196.246 2.821 10 0 AFAERN C[C@H](NC(=O)/C=C/C(C)(C)C)C1CC1 733876094 582679906 /nfs/dbraw/zinc/67/99/06/582679906.db2.gz QGQMSQIGUXGDDS-FLOXNTQESA-N 0 0 195.306 2.503 10 0 AFAERN C[C@@H](NC(=O)/C=C\C(C)(C)C)C1CC1 733876096 582679982 /nfs/dbraw/zinc/67/99/82/582679982.db2.gz QGQMSQIGUXGDDS-UFGYOYAJSA-N 0 0 195.306 2.503 10 0 AFAERN CC[C@H](C)N(C)C(=O)/C=C/C(C)(C)C 733916240 582680271 /nfs/dbraw/zinc/68/02/71/582680271.db2.gz DGTCFDIZOQOTQP-DDXVTDLHSA-N 0 0 197.322 2.846 10 0 AFAERN C[C@@H](NC(=O)/C=C/C(C)(C)C)C1CC1 733876093 582680296 /nfs/dbraw/zinc/68/02/96/582680296.db2.gz QGQMSQIGUXGDDS-FCZSHJHJSA-N 0 0 195.306 2.503 10 0 AFAERN C[C@H](NC(=O)/C=C\C(C)(C)C)C1CC1 733876095 582680446 /nfs/dbraw/zinc/68/04/46/582680446.db2.gz QGQMSQIGUXGDDS-FUOZMLNRSA-N 0 0 195.306 2.503 10 0 AFAERN CC[C@@H](C)N(C)C(=O)/C=C\C(C)(C)C 733916244 582680477 /nfs/dbraw/zinc/68/04/77/582680477.db2.gz DGTCFDIZOQOTQP-HSTULFTRSA-N 0 0 197.322 2.846 10 0 AFAERN CC[C@@H](C)N(C)C(=O)/C=C/C(C)(C)C 733916239 582680611 /nfs/dbraw/zinc/68/06/11/582680611.db2.gz DGTCFDIZOQOTQP-AAXQSMANSA-N 0 0 197.322 2.846 10 0 AFAERN CCC[C@H](C)NC(=O)/C=C\C(C)(C)C 733909084 582680893 /nfs/dbraw/zinc/68/08/93/582680893.db2.gz VNTWRNGTIZHQCZ-QROTZFDESA-N 0 0 197.322 2.894 10 0 AFAERN CCC[C@H](C)NC(=O)/C=C/C(C)(C)C 733909082 582680951 /nfs/dbraw/zinc/68/09/51/582680951.db2.gz VNTWRNGTIZHQCZ-DDXVTDLHSA-N 0 0 197.322 2.894 10 0 AFAERN CC[C@H](C)N(C)C(=O)/C=C\C(C)(C)C 733916246 582680964 /nfs/dbraw/zinc/68/09/64/582680964.db2.gz DGTCFDIZOQOTQP-QROTZFDESA-N 0 0 197.322 2.846 10 0 AFAERN CC(C)(C)/C=C/C(=O)NCC1CCC1 733892037 582681041 /nfs/dbraw/zinc/68/10/41/582681041.db2.gz YCYGNZCYISAINX-BQYQJAHWSA-N 0 0 195.306 2.505 10 0 AFAERN CCCN(CC)C(=O)/C=C\C(C)(C)C 733916773 582681136 /nfs/dbraw/zinc/68/11/36/582681136.db2.gz JJTACUHUPXSXEP-HJWRWDBZSA-N 0 0 197.322 2.847 10 0 AFAERN CCC[C@@H](C)NC(=O)/C=C/C(C)(C)C 733909081 582681161 /nfs/dbraw/zinc/68/11/61/582681161.db2.gz VNTWRNGTIZHQCZ-AAXQSMANSA-N 0 0 197.322 2.894 10 0 AFAERN CCCN(CC)C(=O)/C=C/C(C)(C)C 733916771 582681170 /nfs/dbraw/zinc/68/11/70/582681170.db2.gz JJTACUHUPXSXEP-CMDGGOBGSA-N 0 0 197.322 2.847 10 0 AFAERN CCC[C@@H](C)NC(=O)/C=C\C(C)(C)C 733909083 582681177 /nfs/dbraw/zinc/68/11/77/582681177.db2.gz VNTWRNGTIZHQCZ-HSTULFTRSA-N 0 0 197.322 2.894 10 0 AFAERN CC(C)(C)/C=C\C(=O)NCC1CCC1 733892038 582681219 /nfs/dbraw/zinc/68/12/19/582681219.db2.gz YCYGNZCYISAINX-FPLPWBNLSA-N 0 0 195.306 2.505 10 0 AFAERN CC(C)(C)/C=C/C(=O)NCC(C)(C)C 733923251 582681231 /nfs/dbraw/zinc/68/12/31/582681231.db2.gz CAHHCWWFZWIQIO-BQYQJAHWSA-N 0 0 197.322 2.751 10 0 AFAERN CCN(C(=O)/C=C\C(C)(C)C)C1CC1 733914301 582681270 /nfs/dbraw/zinc/68/12/70/582681270.db2.gz IFQDMNVQDRJQFL-HJWRWDBZSA-N 0 0 195.306 2.600 10 0 AFAERN CCN(C(=O)/C=C\C(C)(C)C)C(C)C 733924502 582681290 /nfs/dbraw/zinc/68/12/90/582681290.db2.gz UJTDYRNUZYRDMM-HJWRWDBZSA-N 0 0 197.322 2.846 10 0 AFAERN CCN(C(=O)/C=C/C(C)(C)C)C1CC1 733914299 582681410 /nfs/dbraw/zinc/68/14/10/582681410.db2.gz IFQDMNVQDRJQFL-CMDGGOBGSA-N 0 0 195.306 2.600 10 0 AFAERN CCN(C(=O)/C=C/C(C)(C)C)C(C)C 733924501 582681416 /nfs/dbraw/zinc/68/14/16/582681416.db2.gz UJTDYRNUZYRDMM-CMDGGOBGSA-N 0 0 197.322 2.846 10 0 AFAERN CC(C)(C)/C=C\C(=O)NCC(C)(C)C 733923252 582681418 /nfs/dbraw/zinc/68/14/18/582681418.db2.gz CAHHCWWFZWIQIO-FPLPWBNLSA-N 0 0 197.322 2.751 10 0 AFAERN C[C@H](C(=O)OC[C@H]1C[C@H]1C)C(C)(C)C 734709535 582681732 /nfs/dbraw/zinc/68/17/32/582681732.db2.gz XVPDKCNUSHQRAD-OPRDCNLKSA-N 0 0 198.306 2.868 10 0 AFAERN CC[C@@H]1CCC[C@H](OC(=O)C2CC2)C1 734724676 582681948 /nfs/dbraw/zinc/68/19/48/582681948.db2.gz HKUPASQATAIUKV-KOLCDFICSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@H](C(=O)OC[C@@H]1C[C@H]1C)C(C)(C)C 734709533 582681973 /nfs/dbraw/zinc/68/19/73/582681973.db2.gz XVPDKCNUSHQRAD-BBBLOLIVSA-N 0 0 198.306 2.868 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)[C@H](C)C(C)(C)C 734709534 582682057 /nfs/dbraw/zinc/68/20/57/582682057.db2.gz XVPDKCNUSHQRAD-KXUCPTDWSA-N 0 0 198.306 2.868 10 0 AFAERN CC[C@@H]1CCC[C@@H](OC(=O)C2CC2)C1 734724677 582682151 /nfs/dbraw/zinc/68/21/51/582682151.db2.gz HKUPASQATAIUKV-MWLCHTKSSA-N 0 0 196.290 2.908 10 0 AFAERN O=C(CCC1CC1)OCc1ccoc1 734707034 582682300 /nfs/dbraw/zinc/68/23/00/582682300.db2.gz FBZZGOMKPGPZPT-UHFFFAOYSA-N 0 0 194.230 2.513 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)[C@H](C)C(C)(C)C 734709536 582682371 /nfs/dbraw/zinc/68/23/71/582682371.db2.gz XVPDKCNUSHQRAD-UTLUCORTSA-N 0 0 198.306 2.868 10 0 AFAERN CC[C@H]1CCC[C@@H](OC(=O)C2CC2)C1 734724675 582682373 /nfs/dbraw/zinc/68/23/73/582682373.db2.gz HKUPASQATAIUKV-GXSJLCMTSA-N 0 0 196.290 2.908 10 0 AFAERN CC[C@H]1CCC[C@H](OC(=O)C2CC2)C1 734724678 582682388 /nfs/dbraw/zinc/68/23/88/582682388.db2.gz HKUPASQATAIUKV-ONGXEEELSA-N 0 0 196.290 2.908 10 0 AFAERN CC(C)CCCCCn1ccc(N)n1 383164050 582682545 /nfs/dbraw/zinc/68/25/45/582682545.db2.gz QWILIZMBBQWGKL-UHFFFAOYSA-N 0 0 195.310 2.512 10 0 AFAERN C[C@@H](OC(=O)/C=C/C(C)(C)C)C1CC1 735209145 582682912 /nfs/dbraw/zinc/68/29/12/582682912.db2.gz XEIMLTZSACNZPF-FCZSHJHJSA-N 0 0 196.290 2.930 10 0 AFAERN C[C@H](OC(=O)/C=C\C(C)(C)C)C1CC1 735209147 582682950 /nfs/dbraw/zinc/68/29/50/582682950.db2.gz XEIMLTZSACNZPF-FUOZMLNRSA-N 0 0 196.290 2.930 10 0 AFAERN CCC/C=C/C(=O)OCc1ccoc1 735206758 582682975 /nfs/dbraw/zinc/68/29/75/582682975.db2.gz DWSNVWKTURHJSC-SNAWJCMRSA-N 0 0 194.230 2.679 10 0 AFAERN CCC/C=C\C(=O)OCc1ccoc1 735206757 582683002 /nfs/dbraw/zinc/68/30/02/582683002.db2.gz DWSNVWKTURHJSC-PLNGDYQASA-N 0 0 194.230 2.679 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)/C=C\C(C)(C)C 735208821 582682883 /nfs/dbraw/zinc/68/28/83/582682883.db2.gz UEQGLVTWNXIKSS-LZCWPNQWSA-N 0 0 196.290 2.788 10 0 AFAERN C[C@@H](OC(=O)/C=C\C(C)(C)C)C1CC1 735209148 582683135 /nfs/dbraw/zinc/68/31/35/582683135.db2.gz XEIMLTZSACNZPF-UFGYOYAJSA-N 0 0 196.290 2.930 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)/C=C/C(C)(C)C 735208822 582683278 /nfs/dbraw/zinc/68/32/78/582683278.db2.gz UEQGLVTWNXIKSS-ROSGPLSXSA-N 0 0 196.290 2.788 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)/C=C\C(C)(C)C 735208820 582683303 /nfs/dbraw/zinc/68/33/03/582683303.db2.gz UEQGLVTWNXIKSS-KWMOZEJZSA-N 0 0 196.290 2.788 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)/C=C/C(C)(C)C 735208819 582683363 /nfs/dbraw/zinc/68/33/63/582683363.db2.gz UEQGLVTWNXIKSS-GMCFVEKCSA-N 0 0 196.290 2.788 10 0 AFAERN C[C@H](OC(=O)/C=C/C(C)(C)C)C1CC1 735209146 582683454 /nfs/dbraw/zinc/68/34/54/582683454.db2.gz XEIMLTZSACNZPF-FLOXNTQESA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)NC(=O)/C=C\C1CCCCC1 735459710 582683924 /nfs/dbraw/zinc/68/39/24/582683924.db2.gz BAPWZLJEOQQBCF-HJWRWDBZSA-N 0 0 195.306 2.648 10 0 AFAERN CCN(C)C(=O)/C=C/C1CCCCC1 735427660 582684098 /nfs/dbraw/zinc/68/40/98/582684098.db2.gz DJRVQXIFYIGKNK-MDZDMXLPSA-N 0 0 195.306 2.601 10 0 AFAERN CCN(C)C(=O)/C=C\C1CCCCC1 735427659 582684527 /nfs/dbraw/zinc/68/45/27/582684527.db2.gz DJRVQXIFYIGKNK-KTKRTIGZSA-N 0 0 195.306 2.601 10 0 AFAERN CCCCCCC(=O)N1C[C@@H](C)[C@H]1C 818466312 582687450 /nfs/dbraw/zinc/68/74/50/582687450.db2.gz JZLWMSFWCSGUDS-GHMZBOCLSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCCCC(=O)N1C[C@H](C)[C@H]1C 818466317 582687040 /nfs/dbraw/zinc/68/70/40/582687040.db2.gz JZLWMSFWCSGUDS-WDEREUQCSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCCCC(=O)N1C[C@@H](C)[C@@H]1C 818466314 582687123 /nfs/dbraw/zinc/68/71/23/582687123.db2.gz JZLWMSFWCSGUDS-MNOVXSKESA-N 0 0 197.322 2.824 10 0 AFAERN CCC/C=C\C(=O)NCCCC1CC1 736251819 582687250 /nfs/dbraw/zinc/68/72/50/582687250.db2.gz VUPKQTZLBPODKX-DAXSKMNVSA-N 0 0 195.306 2.649 10 0 AFAERN CCC/C=C/C(=O)NCCCC1CC1 736251821 582687385 /nfs/dbraw/zinc/68/73/85/582687385.db2.gz VUPKQTZLBPODKX-QPJJXVBHSA-N 0 0 195.306 2.649 10 0 AFAERN CCCCCCC(=O)N1C[C@H](C)[C@@H]1C 818466315 582687483 /nfs/dbraw/zinc/68/74/83/582687483.db2.gz JZLWMSFWCSGUDS-QWRGUYRKSA-N 0 0 197.322 2.824 10 0 AFAERN CCCCN(C)C(=O)C(F)=C1CCC1 819062498 582687764 /nfs/dbraw/zinc/68/77/64/582687764.db2.gz RDNLGLSVAOQMMH-UHFFFAOYSA-N 0 0 199.269 2.652 10 0 AFAERN CC(C(=O)C1CCCC1)=C(O)C(C)C 387424246 582689855 /nfs/dbraw/zinc/68/98/55/582689855.db2.gz GTCRCCGWRVINJO-VIFPVBQESA-N 0 0 196.290 2.607 10 0 AFAERN CCCCC(=O)Oc1ccccc1F 200405001 582691666 /nfs/dbraw/zinc/69/16/66/582691666.db2.gz CEIXWUOBDVDAKS-UHFFFAOYSA-N 0 0 196.221 2.921 10 0 AFAERN CC(=O)OC[C@@H](C)CC(C)(C)C 138843145 582692811 /nfs/dbraw/zinc/69/28/11/582692811.db2.gz VCSSZPFJAXWTBM-QMMMGPOBSA-N 0 0 172.268 2.622 10 0 AFAERN CCC(=O)O[C@H]1CCc2ccccc21 204469698 582693172 /nfs/dbraw/zinc/69/31/72/582693172.db2.gz SKILWKJZPYFPRG-NSHDSACASA-N 0 0 190.242 2.627 10 0 AFAERN Br/C=C/C1CCC1 606247765 582703608 /nfs/dbraw/zinc/70/36/08/582703608.db2.gz GBJWKPBIENHTAL-SNAWJCMRSA-N 0 0 161.042 2.695 10 0 AFAERN CCCn1cnc2c(F)cccc21 606254411 582703978 /nfs/dbraw/zinc/70/39/78/582703978.db2.gz XXKIHRKDWBNUMX-UHFFFAOYSA-N 0 0 178.210 2.585 10 0 AFAERN CCCc1csc(C(C)(C)OC)n1 164735696 582704636 /nfs/dbraw/zinc/70/46/36/582704636.db2.gz PUDMTEUCMGJOOC-UHFFFAOYSA-N 0 0 199.319 2.977 10 0 AFAERN CCCCn1c(C(C)C)n[nH]c1=S 20588815 582704687 /nfs/dbraw/zinc/70/46/87/582704687.db2.gz JVZLDKCEMYJDAM-UHFFFAOYSA-N 0 0 199.323 2.864 10 0 AFAERN Cc1c(N)cncc1-c1ccccc1 200512508 582707173 /nfs/dbraw/zinc/70/71/73/582707173.db2.gz KJFUVRXEBVMCML-UHFFFAOYSA-N 0 0 184.242 2.639 10 0 AFAERN CCCc1ccc2c(c1)CC[C@@H]2O 205528104 582709206 /nfs/dbraw/zinc/70/92/06/582709206.db2.gz TVKHFGBZQHDLIX-LBPRGKRZSA-N 0 0 176.259 2.619 10 0 AFAERN CCC(C)(CC)C(=O)N1CC=CCC1 196247569 582714229 /nfs/dbraw/zinc/71/42/29/582714229.db2.gz FPQGTZAWGIAHOE-UHFFFAOYSA-N 0 0 195.306 2.601 10 0 AFAERN Cc1nc2ccc(Cl)cc2cc1O 197300039 582714603 /nfs/dbraw/zinc/71/46/03/582714603.db2.gz VOYJTZWUMHXIJR-UHFFFAOYSA-N 0 0 193.633 2.902 10 0 AFAERN CCC/C=C/C(=O)N(CC)C1CCC1 737865621 582715004 /nfs/dbraw/zinc/71/50/04/582715004.db2.gz BSSRCUYRMDTNGQ-UXBLZVDNSA-N 0 0 195.306 2.744 10 0 AFAERN CCC/C=C\C(=O)N(CC)C1CCC1 737865620 582715335 /nfs/dbraw/zinc/71/53/35/582715335.db2.gz BSSRCUYRMDTNGQ-POHAHGRESA-N 0 0 195.306 2.744 10 0 AFAERN CC/C=C(/F)C(=O)N[C@H](C)C1CCC1 866980453 582715711 /nfs/dbraw/zinc/71/57/11/582715711.db2.gz YDCBRGBMPVRCCZ-LLIKBPFYSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(\F)C(=O)N[C@@H](C)C1CCC1 866980452 582715733 /nfs/dbraw/zinc/71/57/33/582715733.db2.gz YDCBRGBMPVRCCZ-AMAGOZFHSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N[C@@H](C)C1CCC1 866980454 582716117 /nfs/dbraw/zinc/71/61/17/582716117.db2.gz YDCBRGBMPVRCCZ-SMSHQHMSSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(\F)C(=O)N[C@H](C)C1CCC1 866980455 582716285 /nfs/dbraw/zinc/71/62/85/582716285.db2.gz YDCBRGBMPVRCCZ-VUMIPSPVSA-N 0 0 199.269 2.555 10 0 AFAERN C/C=C(/C)C(=O)N(C)C1CC(C)(C)C1 838148338 582716544 /nfs/dbraw/zinc/71/65/44/582716544.db2.gz HENMULAKFAADPL-TWGQIWQCSA-N 0 0 195.306 2.600 10 0 AFAERN C/C=C(\C)C(=O)N(C)C1CC(C)(C)C1 838148334 582716664 /nfs/dbraw/zinc/71/66/64/582716664.db2.gz HENMULAKFAADPL-RMKNXTFCSA-N 0 0 195.306 2.600 10 0 AFAERN CC(C(=O)OC1CCCC1)=C1CCC1 838235351 582716978 /nfs/dbraw/zinc/71/69/78/582716978.db2.gz GSJXINXMKSSRSD-UHFFFAOYSA-N 0 0 194.274 2.973 10 0 AFAERN CCC(=O)OCc1c(C)cccc1C 738572842 582717053 /nfs/dbraw/zinc/71/70/53/582717053.db2.gz HVYHQDUOSLJMPC-UHFFFAOYSA-N 0 0 192.258 2.757 10 0 AFAERN C/C=C/C=C/C(=O)NC[C@H](C)C(C)C 739630193 582722335 /nfs/dbraw/zinc/72/23/35/582722335.db2.gz NJCNXDFTFSWMHK-NVNCAAMDSA-N 0 0 195.306 2.527 10 0 AFAERN C/C=C/COC(=O)CCCCC 3623520 582720330 /nfs/dbraw/zinc/72/03/30/582720330.db2.gz GVNVILDVKWMWLW-GQCTYLIASA-N 0 0 170.252 2.686 10 0 AFAERN C[C@@H](C(=O)OC[C@H]1C[C@H]1C)C1CCC1 838794572 582721400 /nfs/dbraw/zinc/72/14/00/582721400.db2.gz KVXHLKCUQVBHJH-FXPVBKGRSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H](C(=O)OC[C@@H]1C[C@H]1C)C1CCC1 838794585 582720954 /nfs/dbraw/zinc/72/09/54/582720954.db2.gz KVXHLKCUQVBHJH-YWVKMMECSA-N 0 0 196.290 2.622 10 0 AFAERN CCC/C=C/C(=O)NC[C@H](C)C(C)C 739776511 582722847 /nfs/dbraw/zinc/72/28/47/582722847.db2.gz FOESBIQGYDAFFA-AEZGRPFRSA-N 0 0 197.322 2.751 10 0 AFAERN C[C@H](OC(=O)[C@H](C)C1CCC1)C1CC1 838792539 582720975 /nfs/dbraw/zinc/72/09/75/582720975.db2.gz PVZMSUPFOHXPMH-BDAKNGLRSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@@H](C(=O)OC[C@@H]1C[C@H]1C)C1CCC1 838794575 582721025 /nfs/dbraw/zinc/72/10/25/582721025.db2.gz KVXHLKCUQVBHJH-KKZNHRDASA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H](C(=O)OC[C@H]1C[C@H]1C)C1CCC1 838794577 582721380 /nfs/dbraw/zinc/72/13/80/582721380.db2.gz KVXHLKCUQVBHJH-WCABBAIRSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H](OC(=O)[C@@H](C)C1CCC1)C1CC1 838792541 582721407 /nfs/dbraw/zinc/72/14/07/582721407.db2.gz PVZMSUPFOHXPMH-IUCAKERBSA-N 0 0 196.290 2.764 10 0 AFAERN CC/C=C(\C)C(=O)NC[C@H](C)C(C)C 739626356 582721965 /nfs/dbraw/zinc/72/19/65/582721965.db2.gz DSFQMLXRNPLRJC-HUYFXPKMSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/C=C\C(=O)NC[C@H](C)C(C)C 739630195 582722582 /nfs/dbraw/zinc/72/25/82/582722582.db2.gz NJCNXDFTFSWMHK-XSNLPNCASA-N 0 0 195.306 2.527 10 0 AFAERN CC/C=C(/C)C(=O)NC[C@H](C)C(C)C 739626351 582722050 /nfs/dbraw/zinc/72/20/50/582722050.db2.gz DSFQMLXRNPLRJC-BRNRAETOSA-N 0 0 197.322 2.751 10 0 AFAERN C[C@H](C(=O)O[C@H]1C=CCC1)C1CCC1 838852218 582722121 /nfs/dbraw/zinc/72/21/21/582722121.db2.gz ANLOHPXPWSPAOG-ONGXEEELSA-N 0 0 194.274 2.684 10 0 AFAERN C[C@@H](C(=O)O[C@H]1C=CCC1)C1CCC1 838852216 582722464 /nfs/dbraw/zinc/72/24/64/582722464.db2.gz ANLOHPXPWSPAOG-KOLCDFICSA-N 0 0 194.274 2.684 10 0 AFAERN CC/C=C(/C)C(=O)NC[C@@H](C)C(C)C 739626358 582722538 /nfs/dbraw/zinc/72/25/38/582722538.db2.gz DSFQMLXRNPLRJC-ZJRUKIMVSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C/C=C\C(=O)NC[C@@H](C)C(C)C 739630194 582722550 /nfs/dbraw/zinc/72/25/50/582722550.db2.gz NJCNXDFTFSWMHK-XPJHWULBSA-N 0 0 195.306 2.527 10 0 AFAERN CC/C=C(\C)C(=O)NC[C@@H](C)C(C)C 739626357 582722554 /nfs/dbraw/zinc/72/25/54/582722554.db2.gz DSFQMLXRNPLRJC-PFEDMVJOSA-N 0 0 197.322 2.751 10 0 AFAERN C[C@H](C(=O)O[C@@H]1C=CCC1)C1CCC1 838852215 582722589 /nfs/dbraw/zinc/72/25/89/582722589.db2.gz ANLOHPXPWSPAOG-GXSJLCMTSA-N 0 0 194.274 2.684 10 0 AFAERN C[C@@H](C(=O)O[C@@H]1C=CCC1)C1CCC1 838852217 582722591 /nfs/dbraw/zinc/72/25/91/582722591.db2.gz ANLOHPXPWSPAOG-MWLCHTKSSA-N 0 0 194.274 2.684 10 0 AFAERN 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/nfs/dbraw/zinc/89/50/72/582895072.db2.gz YIVULYOOHIXMAW-UHFFFAOYSA-N 0 0 196.221 2.592 10 0 AFAERN CCCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C 786161466 582895286 /nfs/dbraw/zinc/89/52/86/582895286.db2.gz QJKYCRMYMDINRO-GMTAPVOTSA-N 0 0 197.322 2.727 10 0 AFAERN Cc1ccc(OC(=O)[C@@H]2C[C@H]2C)cc1 786446557 582895855 /nfs/dbraw/zinc/89/58/55/582895855.db2.gz AGULZHAQMHPNPD-MWLCHTKSSA-N 0 0 190.242 2.556 10 0 AFAERN C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2C)C1 786448956 582896039 /nfs/dbraw/zinc/89/60/39/582896039.db2.gz LAYPILQYKOGDHY-GWOFURMSSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2C)C1 786448960 582896075 /nfs/dbraw/zinc/89/60/75/582896075.db2.gz LAYPILQYKOGDHY-ZRUFSTJUSA-N 0 0 196.290 2.764 10 0 AFAERN Cc1cccc(OC(=O)[C@@H]2C[C@H]2C)c1 786447966 582896079 /nfs/dbraw/zinc/89/60/79/582896079.db2.gz PXLKODPWFUMCTI-MWLCHTKSSA-N 0 0 190.242 2.556 10 0 AFAERN CCCCCCOCc1n[nH]cc1C 844771492 583148244 /nfs/dbraw/zinc/14/82/44/583148244.db2.gz OTBFPWDMENIURW-UHFFFAOYSA-N 0 0 196.294 2.815 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)OC1CCCCCC1 786449270 582896245 /nfs/dbraw/zinc/89/62/45/582896245.db2.gz PAKCLHHJGLWSMO-MWLCHTKSSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2C)C1 786448958 582896422 /nfs/dbraw/zinc/89/64/22/582896422.db2.gz LAYPILQYKOGDHY-LNFKQOIKSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)/C=C\C(=O)O[C@@H]1CC[C@@H](C)C1 786486730 582896752 /nfs/dbraw/zinc/89/67/52/582896752.db2.gz SLTCGLJEHCYLLP-HQPPDGJXSA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)/C=C/C(=O)OCC1CC=CC1 786474864 582896808 /nfs/dbraw/zinc/89/68/08/582896808.db2.gz PCHYOMVKTVNQLV-BQYQJAHWSA-N 0 0 194.274 2.708 10 0 AFAERN CC(C)/C=C/C(=O)O[C@@H]1CC[C@@H](C)C1 786486736 582896821 /nfs/dbraw/zinc/89/68/21/582896821.db2.gz SLTCGLJEHCYLLP-OZSGMGSPSA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)/C=C\C(=O)O[C@@H]1CC[C@H](C)C1 786486733 582896826 /nfs/dbraw/zinc/89/68/26/582896826.db2.gz SLTCGLJEHCYLLP-LEOBQNDHSA-N 0 0 196.290 2.930 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)OC[C@H]1CC=CCC1 786453071 582896859 /nfs/dbraw/zinc/89/68/59/582896859.db2.gz WTUUOIIZHDUZON-OUAUKWLOSA-N 0 0 194.274 2.542 10 0 AFAERN CC(C)/C=C/C(=O)O[C@@H]1CC[C@H](C)C1 786486735 582896870 /nfs/dbraw/zinc/89/68/70/582896870.db2.gz SLTCGLJEHCYLLP-NAJRYUOPSA-N 0 0 196.290 2.930 10 0 AFAERN CC(C)/C=C/C(=O)OCCC1CCC1 786487741 582897143 /nfs/dbraw/zinc/89/71/43/582897143.db2.gz PVAFVGXLMQBASM-VOTSOKGWSA-N 0 0 196.290 2.932 10 0 AFAERN C/C=C(\C)C(=O)N(C)C1(C)CCCC1 786538498 582897215 /nfs/dbraw/zinc/89/72/15/582897215.db2.gz MCWIMPVREUMMGM-BJMVGYQFSA-N 0 0 195.306 2.744 10 0 AFAERN CC(C)/C=C\C(=O)OCCC1CCC1 786487740 582897260 /nfs/dbraw/zinc/89/72/60/582897260.db2.gz PVAFVGXLMQBASM-SREVYHEPSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)/C=C\C(=O)OCC1CC=CC1 786474865 582897341 /nfs/dbraw/zinc/89/73/41/582897341.db2.gz PCHYOMVKTVNQLV-FPLPWBNLSA-N 0 0 194.274 2.708 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)OC[C@@H]1CC=CCC1 786452960 582897400 /nfs/dbraw/zinc/89/74/00/582897400.db2.gz WTUUOIIZHDUZON-GMTAPVOTSA-N 0 0 194.274 2.542 10 0 AFAERN C/C=C(/C)C(=O)N(C)C1(C)CCCC1 786538499 582897413 /nfs/dbraw/zinc/89/74/13/582897413.db2.gz MCWIMPVREUMMGM-YHYXMXQVSA-N 0 0 195.306 2.744 10 0 AFAERN CCC(=O)OCc1cccc(CC)c1 787570173 582900810 /nfs/dbraw/zinc/90/08/10/582900810.db2.gz ACVUUBHWGLONKZ-UHFFFAOYSA-N 0 0 192.258 2.702 10 0 AFAERN C[C@H]1C[C@@H]1COC(=O)C(C)(C)C1CC1 805865359 582902507 /nfs/dbraw/zinc/90/25/07/582902507.db2.gz GFMNECFYQAAQPL-DTWKUNHWSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H]1C[C@H]1COC(=O)C(C)(C)C1CC1 805865360 582902836 /nfs/dbraw/zinc/90/28/36/582902836.db2.gz GFMNECFYQAAQPL-IUCAKERBSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)C(C)(C)C1CC1 805865358 582902978 /nfs/dbraw/zinc/90/29/78/582902978.db2.gz GFMNECFYQAAQPL-BDAKNGLRSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H](OC(=O)C(C)(C)C1CC1)C1CC1 805864777 582902917 /nfs/dbraw/zinc/90/29/17/582902917.db2.gz QLJLXFGUSNJLJE-QMMMGPOBSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)C(C)(C)C1CC1 805865361 582903312 /nfs/dbraw/zinc/90/33/12/582903312.db2.gz GFMNECFYQAAQPL-RKDXNWHRSA-N 0 0 196.290 2.622 10 0 AFAERN C/C=C(/CC)C(=O)N1CCC(C)CC1 788670577 582903518 /nfs/dbraw/zinc/90/35/18/582903518.db2.gz GOBJSDCNIZOYLS-WCIBSUBMSA-N 0 0 195.306 2.601 10 0 AFAERN C/C=C(/CC)C(=O)N1CCCC[C@H]1C 788670702 582903610 /nfs/dbraw/zinc/90/36/10/582903610.db2.gz BUFQAFLELLBHPW-BJIOATRMSA-N 0 0 195.306 2.744 10 0 AFAERN C/C=C(\CC)C(=O)N(C)C1CCCC1 788672530 582903634 /nfs/dbraw/zinc/90/36/34/582903634.db2.gz BMPDLXZKIWLLSO-ONNFQVAWSA-N 0 0 195.306 2.744 10 0 AFAERN C/C=C(/CC)C(=O)N(C)[C@H](C)C1CC1 788709115 582903646 /nfs/dbraw/zinc/90/36/46/582903646.db2.gz GIPONWGICFXDPA-JRZFIGEHSA-N 0 0 195.306 2.600 10 0 AFAERN C/C=C(/CC)C(=O)N(C)C1CCCC1 788672531 582903664 /nfs/dbraw/zinc/90/36/64/582903664.db2.gz BMPDLXZKIWLLSO-WMZJFQQLSA-N 0 0 195.306 2.744 10 0 AFAERN C/C=C(/CC)C(=O)N(C)[C@@H](C)C1CC1 788709116 582903668 /nfs/dbraw/zinc/90/36/68/582903668.db2.gz GIPONWGICFXDPA-QFQXNISHSA-N 0 0 195.306 2.600 10 0 AFAERN C/C=C(/CC)C(=O)N(CC)CC(C)C 788708668 582903801 /nfs/dbraw/zinc/90/38/01/582903801.db2.gz BYVSUJITMRMSEL-WDZFZDKYSA-N 0 0 197.322 2.847 10 0 AFAERN C/C=C(\CC)C(=O)N(CC)CCCC 788703267 582903856 /nfs/dbraw/zinc/90/38/56/582903856.db2.gz DYOVQGTVVPQLJX-IZZDOVSWSA-N 0 0 197.322 2.991 10 0 AFAERN C/C=C(\CC)C(=O)N(C)[C@@H](C)C1CC1 788709118 582903879 /nfs/dbraw/zinc/90/38/79/582903879.db2.gz GIPONWGICFXDPA-UMYFRRCYSA-N 0 0 195.306 2.600 10 0 AFAERN C/C=C(/CC)C(=O)N(CC)CCCC 788703268 582903926 /nfs/dbraw/zinc/90/39/26/582903926.db2.gz DYOVQGTVVPQLJX-WDZFZDKYSA-N 0 0 197.322 2.991 10 0 AFAERN C/C=C(\CC)C(=O)N1CCCC[C@@H]1C 788670708 582903943 /nfs/dbraw/zinc/90/39/43/582903943.db2.gz BUFQAFLELLBHPW-KRPLZJQNSA-N 0 0 195.306 2.744 10 0 AFAERN C/C=C(\CC)C(=O)N1CCCC[C@H]1C 788670707 582904081 /nfs/dbraw/zinc/90/40/81/582904081.db2.gz BUFQAFLELLBHPW-CGGZTBSLSA-N 0 0 195.306 2.744 10 0 AFAERN C/C=C(\CC)C(=O)N1CCC(C)CC1 788670574 582904093 /nfs/dbraw/zinc/90/40/93/582904093.db2.gz GOBJSDCNIZOYLS-NYYWCZLTSA-N 0 0 195.306 2.601 10 0 AFAERN C/C=C(\CC)C(=O)N(C)[C@H](C)C1CC1 788709117 582904099 /nfs/dbraw/zinc/90/40/99/582904099.db2.gz GIPONWGICFXDPA-RAJVOEEQSA-N 0 0 195.306 2.600 10 0 AFAERN C/C=C(/CC)C(=O)N1CCCC[C@@H]1C 788670709 582904116 /nfs/dbraw/zinc/90/41/16/582904116.db2.gz BUFQAFLELLBHPW-ZQJWYQMXSA-N 0 0 195.306 2.744 10 0 AFAERN C/C=C(\CC)C(=O)N(CC)CC(C)C 788708667 582904120 /nfs/dbraw/zinc/90/41/20/582904120.db2.gz BYVSUJITMRMSEL-IZZDOVSWSA-N 0 0 197.322 2.847 10 0 AFAERN C/C=C(/CC)C(=O)N(C)CC(C)(C)C 788876143 582904622 /nfs/dbraw/zinc/90/46/22/582904622.db2.gz FSDKNEHTZXZUQN-YFHOEESVSA-N 0 0 197.322 2.847 10 0 AFAERN C[C@@H](COC(=O)C1CC=CC1)C1CC1 789602524 582905579 /nfs/dbraw/zinc/90/55/79/582905579.db2.gz BIQKMPSHOPOZBR-VIFPVBQESA-N 0 0 194.274 2.542 10 0 AFAERN C/C=C(\CC)C(=O)N(C)CCC(C)C 788829004 582904650 /nfs/dbraw/zinc/90/46/50/582904650.db2.gz FUSVDTZYQKRXIH-IZZDOVSWSA-N 0 0 197.322 2.847 10 0 AFAERN C/C=C(/CC)C(=O)N(C)CCC(C)C 788829005 582904674 /nfs/dbraw/zinc/90/46/74/582904674.db2.gz FUSVDTZYQKRXIH-WDZFZDKYSA-N 0 0 197.322 2.847 10 0 AFAERN C/C=C(\CC)C(=O)NC[C@H](C)C(C)C 788872345 582904682 /nfs/dbraw/zinc/90/46/82/582904682.db2.gz IKKJRHUISMFUGC-OTXQMUPVSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C(/CC)C(=O)NC[C@H](C)C(C)C 788872347 582904690 /nfs/dbraw/zinc/90/46/90/582904690.db2.gz IKKJRHUISMFUGC-OYUORYAFSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C(\CC)C(=O)N(C)CC(C)(C)C 788876142 582904695 /nfs/dbraw/zinc/90/46/95/582904695.db2.gz FSDKNEHTZXZUQN-JXMROGBWSA-N 0 0 197.322 2.847 10 0 AFAERN C/C=C(/CC)C(=O)N(CCC)CCC 788741307 582904740 /nfs/dbraw/zinc/90/47/40/582904740.db2.gz FSRGMWHHJKUMET-XFFZJAGNSA-N 0 0 197.322 2.991 10 0 AFAERN C/C=C(\CC)C(=O)N1CCCC1(C)C 788811370 582904809 /nfs/dbraw/zinc/90/48/09/582904809.db2.gz QFPQALFAOANWMV-BJMVGYQFSA-N 0 0 195.306 2.744 10 0 AFAERN C/C=C(/CC)C(=O)NC[C@@H](C)C(C)C 788872344 582904830 /nfs/dbraw/zinc/90/48/30/582904830.db2.gz IKKJRHUISMFUGC-CHPNCVJKSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C(\CC)C(=O)N(CCC)CCC 788741308 582904891 /nfs/dbraw/zinc/90/48/91/582904891.db2.gz FSRGMWHHJKUMET-YRNVUSSQSA-N 0 0 197.322 2.991 10 0 AFAERN C/C=C(/CC)C(=O)N1CCCC1(C)C 788811371 582904946 /nfs/dbraw/zinc/90/49/46/582904946.db2.gz QFPQALFAOANWMV-YHYXMXQVSA-N 0 0 195.306 2.744 10 0 AFAERN C/C=C(\CC)C(=O)NC[C@@H](C)C(C)C 788872349 582904960 /nfs/dbraw/zinc/90/49/60/582904960.db2.gz IKKJRHUISMFUGC-VUUNSECVSA-N 0 0 197.322 2.751 10 0 AFAERN C/C=C(\CC)C(=O)OCc1ccoc1 789352119 582905157 /nfs/dbraw/zinc/90/51/57/582905157.db2.gz LHMTYWWYADIBAJ-XCVCLJGOSA-N 0 0 194.230 2.679 10 0 AFAERN O=C(OCC1(F)CC1)C1=CCCCC1 789596505 582905215 /nfs/dbraw/zinc/90/52/15/582905215.db2.gz OLVBYVAEGQZPSK-UHFFFAOYSA-N 0 0 198.237 2.532 10 0 AFAERN C/C=C(/CC)C(=O)OC[C@@H](C)C1CC1 789605322 582905247 /nfs/dbraw/zinc/90/52/47/582905247.db2.gz DACZIPSNTGRSQR-BABIGQSTSA-N 0 0 196.290 2.932 10 0 AFAERN CC/C=C(\C)C(=O)OC[C@@H](C)C1CC1 789605262 582905253 /nfs/dbraw/zinc/90/52/53/582905253.db2.gz 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582905356 /nfs/dbraw/zinc/90/53/56/582905356.db2.gz LXJZLRGHEHBZRX-BSKOKIOFSA-N 0 0 196.290 2.932 10 0 AFAERN CC/C=C(\C)C(=O)OC[C@H](C)C1CC1 789605260 582905401 /nfs/dbraw/zinc/90/54/01/582905401.db2.gz LXJZLRGHEHBZRX-CYNRKNSPSA-N 0 0 196.290 2.932 10 0 AFAERN C[C@H](COC(=O)C1CCCC1)C1CC1 789601622 582905412 /nfs/dbraw/zinc/90/54/12/582905412.db2.gz ITFVJODSOCBFLC-SECBINFHSA-N 0 0 196.290 2.766 10 0 AFAERN C/C=C(\CC)C(=O)OC[C@@H](C)C1CC1 789605327 582905472 /nfs/dbraw/zinc/90/54/72/582905472.db2.gz DACZIPSNTGRSQR-BZFUBLJMSA-N 0 0 196.290 2.932 10 0 AFAERN C/C=C(\CC)C(=O)OC[C@H](C)C1CC1 789605351 582905501 /nfs/dbraw/zinc/90/55/01/582905501.db2.gz DACZIPSNTGRSQR-YNYSXPKMSA-N 0 0 196.290 2.932 10 0 AFAERN C/C=C(/CC)C(=O)OC1(C2CC2)CC1 789388859 582905520 /nfs/dbraw/zinc/90/55/20/582905520.db2.gz WOTXRTTVMJOLFX-OQFOIZHKSA-N 0 0 194.274 2.829 10 0 AFAERN O=C(C=C1CCCC1)OCC1(F)CC1 789592110 582905533 /nfs/dbraw/zinc/90/55/33/582905533.db2.gz UWCITYLFBHRBBQ-UHFFFAOYSA-N 0 0 198.237 2.532 10 0 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757568065 582938542 /nfs/dbraw/zinc/93/85/42/582938542.db2.gz ZZTNTDPFGWCHEL-UHFFFAOYSA-N 0 0 166.245 2.552 10 0 AFAERN CC(C)=C(C)c1ccc(C(N)=O)cc1 757572736 582940273 /nfs/dbraw/zinc/94/02/73/582940273.db2.gz UAKQBXUBQJBDLN-UHFFFAOYSA-N 0 0 189.258 2.599 10 0 AFAERN CCC(=CC(=O)N[C@@H]1CC[C@H]1C)CC 803636383 582940325 /nfs/dbraw/zinc/94/03/25/582940325.db2.gz XQWVYUZXQPWLJW-MWLCHTKSSA-N 0 0 195.306 2.648 10 0 AFAERN CCC(=CC(=O)N[C@@H]1CC[C@@H]1C)CC 803636381 582940347 /nfs/dbraw/zinc/94/03/47/582940347.db2.gz XQWVYUZXQPWLJW-GXSJLCMTSA-N 0 0 195.306 2.648 10 0 AFAERN CCC(=CC(=O)N[C@H]1CC[C@H]1C)CC 803636382 582940378 /nfs/dbraw/zinc/94/03/78/582940378.db2.gz XQWVYUZXQPWLJW-KOLCDFICSA-N 0 0 195.306 2.648 10 0 AFAERN CCC(=CC(=O)N[C@H]1CC[C@@H]1C)CC 803636384 582940492 /nfs/dbraw/zinc/94/04/92/582940492.db2.gz XQWVYUZXQPWLJW-ONGXEEELSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)=CCOC(=O)C[C@@H]1C=CCC1 804533630 582940935 /nfs/dbraw/zinc/94/09/35/582940935.db2.gz DRUSXVKPGKGBLE-LLVKDONJSA-N 0 0 194.274 2.852 10 0 AFAERN CC(C)=CCOC(=O)c1ccoc1C 804578146 582940947 /nfs/dbraw/zinc/94/09/47/582940947.db2.gz DUEQIXBULLNHEK-UHFFFAOYSA-N 0 0 194.230 2.711 10 0 AFAERN CC(C)=CCOC(=O)C[C@H]1C=CCC1 804533631 582940999 /nfs/dbraw/zinc/94/09/99/582940999.db2.gz DRUSXVKPGKGBLE-NSHDSACASA-N 0 0 194.274 2.852 10 0 AFAERN Cc1nc(C(=O)CC(C)C)sc1C 757124000 582942102 /nfs/dbraw/zinc/94/21/02/582942102.db2.gz MXNLDFYMJUNUTC-UHFFFAOYSA-N 0 0 197.303 2.989 10 0 AFAERN CC[C@H](C)C(=O)c1nc(C)cs1 757126063 582942784 /nfs/dbraw/zinc/94/27/84/582942784.db2.gz VAHCZJIDKMEZSQ-LURJTMIESA-N 0 0 183.276 2.680 10 0 AFAERN CC[C@@H](C)C(=O)c1nc(C)cs1 757126069 582942962 /nfs/dbraw/zinc/94/29/62/582942962.db2.gz VAHCZJIDKMEZSQ-ZCFIWIBFSA-N 0 0 183.276 2.680 10 0 AFAERN C[C@@H]1C[C@H]1Nc1cc2ccccc2[nH]1 757135263 582943284 /nfs/dbraw/zinc/94/32/84/582943284.db2.gz FGOKPHFVJQTEST-LDYMZIIASA-N 0 0 186.258 2.988 10 0 AFAERN C[C@H]1C[C@H]1Nc1cc2ccccc2[nH]1 757135257 582943317 /nfs/dbraw/zinc/94/33/17/582943317.db2.gz 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757193262 582950397 /nfs/dbraw/zinc/95/03/97/582950397.db2.gz ZSTQLCRHDQWTKI-SSDOTTSWSA-N 0 0 178.206 2.906 10 0 AFAERN CCC1(CC)CCC[C@H]1CO 757195037 582950407 /nfs/dbraw/zinc/95/04/07/582950407.db2.gz FYFSESYXLBXGND-VIFPVBQESA-N 0 0 156.269 2.585 10 0 AFAERN CC(C)CCOC(=O)C[C@@H]1C=CCC1 807608891 582956543 /nfs/dbraw/zinc/95/65/43/582956543.db2.gz FHOIIKJGMABZSO-LLVKDONJSA-N 0 0 196.290 2.932 10 0 AFAERN CC(C)CCOC(=O)C[C@H]1C=CCC1 807608892 582956626 /nfs/dbraw/zinc/95/66/26/582956626.db2.gz FHOIIKJGMABZSO-NSHDSACASA-N 0 0 196.290 2.932 10 0 AFAERN Cc1cccc(C23CC(CC2=O)C3)c1 757547661 582957163 /nfs/dbraw/zinc/95/71/63/582957163.db2.gz XYHUWINRNGFIJL-UHFFFAOYSA-N 0 0 186.254 2.616 10 0 AFAERN Cc1ccc(C23CC(CC2=O)C3)cc1 757540648 582957211 /nfs/dbraw/zinc/95/72/11/582957211.db2.gz DPEWKSYENRADIH-UHFFFAOYSA-N 0 0 186.254 2.616 10 0 AFAERN Cc1cccc(C23CC(=O)C(C2)C3)c1 757542142 582957223 /nfs/dbraw/zinc/95/72/23/582957223.db2.gz IGXAVAVZVITPFU-UHFFFAOYSA-N 0 0 186.254 2.616 10 0 AFAERN 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/nfs/dbraw/zinc/00/96/19/583009619.db2.gz OMTQTLJNAQAPNZ-MRVPVSSYSA-N 0 0 199.269 2.699 10 0 AFAERN CC(C)CN(C)C(=O)C(F)=C1CCC1 819083794 583009878 /nfs/dbraw/zinc/00/98/78/583009878.db2.gz FVRDENACNYDVJU-UHFFFAOYSA-N 0 0 199.269 2.508 10 0 AFAERN CCCN(CC)C(=O)C(F)=C1CCC1 819083638 583009993 /nfs/dbraw/zinc/00/99/93/583009993.db2.gz CJPJUBKFORNHCH-UHFFFAOYSA-N 0 0 199.269 2.652 10 0 AFAERN CCC[C@H](C)NC(=O)C(F)=C1CCC1 819055102 583010046 /nfs/dbraw/zinc/01/00/46/583010046.db2.gz OMTQTLJNAQAPNZ-QMMMGPOBSA-N 0 0 199.269 2.699 10 0 AFAERN CCC(C)(C)NC(=O)C(F)=C1CCC1 819063355 583010133 /nfs/dbraw/zinc/01/01/33/583010133.db2.gz LQZLQALAFJSZJW-UHFFFAOYSA-N 0 0 199.269 2.699 10 0 AFAERN CC[C@H](C)N(C)C(=O)C(F)=C1CCC1 819207297 583010549 /nfs/dbraw/zinc/01/05/49/583010549.db2.gz HQLITHMJFAGGPR-QMMMGPOBSA-N 0 0 199.269 2.651 10 0 AFAERN CCN(C(=O)C(F)=C1CCC1)C(C)C 819138551 583010858 /nfs/dbraw/zinc/01/08/58/583010858.db2.gz BRVYXJFVQMRZAE-UHFFFAOYSA-N 0 0 199.269 2.651 10 0 AFAERN CC(C)(C)CNC(=O)C(F)=C1CCC1 819153143 583011191 /nfs/dbraw/zinc/01/11/91/583011191.db2.gz BMYVJISKFKYWKJ-UHFFFAOYSA-N 0 0 199.269 2.556 10 0 AFAERN CC[C@@H](C)N(C)C(=O)C(F)=C1CCC1 819207295 583011204 /nfs/dbraw/zinc/01/12/04/583011204.db2.gz HQLITHMJFAGGPR-MRVPVSSYSA-N 0 0 199.269 2.651 10 0 AFAERN CCCCCCC(=O)N[C@@H]1CC12CC2 819625103 583012930 /nfs/dbraw/zinc/01/29/30/583012930.db2.gz MNXQEJJIRZOUHU-SNVBAGLBSA-N 0 0 195.306 2.626 10 0 AFAERN CCCCCCC(=O)N[C@H]1CC12CC2 819625102 583013024 /nfs/dbraw/zinc/01/30/24/583013024.db2.gz MNXQEJJIRZOUHU-JTQLQIEISA-N 0 0 195.306 2.626 10 0 AFAERN CCCCOC(=O)C(F)=C1CCC1 819953197 583016384 /nfs/dbraw/zinc/01/63/84/583016384.db2.gz LWVYDYIAZXCUDT-UHFFFAOYSA-N 0 0 186.226 2.737 10 0 AFAERN C[C@H](OC(=O)C(F)=C1CCC1)C1CC1 819961043 583016767 /nfs/dbraw/zinc/01/67/67/583016767.db2.gz MKWOCBHLFUJHQR-ZETCQYMHSA-N 0 0 198.237 2.736 10 0 AFAERN C/C=C/COC(=O)C(F)=C1CCC1 819957114 583016777 /nfs/dbraw/zinc/01/67/77/583016777.db2.gz SMSHZPMKLJMFAN-NSCUHMNNSA-N 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/nfs/dbraw/zinc/01/71/95/583017195.db2.gz CPKBOSFOOFQIBI-CBAPKCEASA-N 0 0 198.237 2.593 10 0 AFAERN CC[C@@H](C)OC(=O)C(F)=C1CCC1 819959625 583017213 /nfs/dbraw/zinc/01/72/13/583017213.db2.gz JFEZXMYMWSQYOL-SSDOTTSWSA-N 0 0 186.226 2.736 10 0 AFAERN CC(C)COC(=O)C(F)=C1CCC1 819953714 583017253 /nfs/dbraw/zinc/01/72/53/583017253.db2.gz ROYGHGSWOXOKGB-UHFFFAOYSA-N 0 0 186.226 2.593 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)C(F)=C1CCC1 819963085 583017304 /nfs/dbraw/zinc/01/73/04/583017304.db2.gz CPKBOSFOOFQIBI-APPZFPTMSA-N 0 0 198.237 2.593 10 0 AFAERN O=C(OCC1CCC1)C(F)=C1CCC1 820110899 583017573 /nfs/dbraw/zinc/01/75/73/583017573.db2.gz KLSVVIHGVIAQSZ-UHFFFAOYSA-N 0 0 198.237 2.737 10 0 AFAERN O=C(OCCC1CC1)C(F)=C1CCC1 820145108 583017617 /nfs/dbraw/zinc/01/76/17/583017617.db2.gz NPPRTOKCAKOTKC-UHFFFAOYSA-N 0 0 198.237 2.737 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)O[C@@H]1CCC(C)(C)C1 820522111 583022590 /nfs/dbraw/zinc/02/25/90/583022590.db2.gz ORHVSDYRRNLMFK-AEJSXWLSSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)O[C@H]1CCC(C)(C)C1 820522114 583022102 /nfs/dbraw/zinc/02/21/02/583022102.db2.gz ORHVSDYRRNLMFK-GUBZILKMSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)=CCOC(=O)C(F)=C1CCC1 820498794 583022108 /nfs/dbraw/zinc/02/21/08/583022108.db2.gz CRHSGOZYEQZCIY-UHFFFAOYSA-N 0 0 198.237 2.903 10 0 AFAERN Cc1cnc(NCC2CCCCC2)o1 820598311 583022962 /nfs/dbraw/zinc/02/29/62/583022962.db2.gz CCLVLFGYGPKUMN-UHFFFAOYSA-N 0 0 194.278 2.975 10 0 AFAERN CC[C@@H]1CCCCN1c1ncc(C)o1 820598244 583023019 /nfs/dbraw/zinc/02/30/19/583023019.db2.gz ARUXKCFAWXHLMC-SNVBAGLBSA-N 0 0 194.278 2.752 10 0 AFAERN CC[C@H]1CCCCN1c1ncc(C)o1 820598242 583023088 /nfs/dbraw/zinc/02/30/88/583023088.db2.gz ARUXKCFAWXHLMC-JTQLQIEISA-N 0 0 194.278 2.752 10 0 AFAERN Cc1cnc(N[C@@H]2CCCC[C@@H]2C)o1 820598298 583023205 /nfs/dbraw/zinc/02/32/05/583023205.db2.gz BPYURDLTMVICOF-WCBMZHEXSA-N 0 0 194.278 2.974 10 0 AFAERN Cc1cnc(N2CCCCCCC2)o1 820599681 583023325 /nfs/dbraw/zinc/02/33/25/583023325.db2.gz XPSNHNGYQCDTKD-UHFFFAOYSA-N 0 0 194.278 2.754 10 0 AFAERN Cc1cnc(N[C@@H]2CCCC[C@H]2C)o1 820598295 583023368 /nfs/dbraw/zinc/02/33/68/583023368.db2.gz BPYURDLTMVICOF-PSASIEDQSA-N 0 0 194.278 2.974 10 0 AFAERN Cc1cnc(N(C)C2CCCCC2)o1 820598652 583023562 /nfs/dbraw/zinc/02/35/62/583023562.db2.gz HAULFSVUGYAFSS-UHFFFAOYSA-N 0 0 194.278 2.752 10 0 AFAERN CC[C@@H]1CCCN(c2ncc(C)o2)C1 820625010 583023582 /nfs/dbraw/zinc/02/35/82/583023582.db2.gz XDDHQWBJIOLMNI-SNVBAGLBSA-N 0 0 194.278 2.609 10 0 AFAERN Cc1cnc(N[C@H]2CCCC[C@H]2C)o1 820598297 583023672 /nfs/dbraw/zinc/02/36/72/583023672.db2.gz BPYURDLTMVICOF-SCZZXKLOSA-N 0 0 194.278 2.974 10 0 AFAERN CC[C@H]1CCCN(c2ncc(C)o2)C1 820625009 583023687 /nfs/dbraw/zinc/02/36/87/583023687.db2.gz XDDHQWBJIOLMNI-JTQLQIEISA-N 0 0 194.278 2.609 10 0 AFAERN Cc1cnc(N[C@H]2CCCC[C@@H]2C)o1 820598299 583023717 /nfs/dbraw/zinc/02/37/17/583023717.db2.gz BPYURDLTMVICOF-WPRPVWTQSA-N 0 0 194.278 2.974 10 0 AFAERN Cc1cnc(N2CCC[C@H](C)CC2)o1 820645521 583024105 /nfs/dbraw/zinc/02/41/05/583024105.db2.gz VNMBJNFYBAXJLV-VIFPVBQESA-N 0 0 194.278 2.609 10 0 AFAERN Cc1cnc(N2CCC[C@@H](C)CC2)o1 820645453 583024207 /nfs/dbraw/zinc/02/42/07/583024207.db2.gz VNMBJNFYBAXJLV-SECBINFHSA-N 0 0 194.278 2.609 10 0 AFAERN Cc1cnc(N(C)CC2CCCC2)o1 820644457 583024491 /nfs/dbraw/zinc/02/44/91/583024491.db2.gz BLGYERZINCECGA-UHFFFAOYSA-N 0 0 194.278 2.609 10 0 AFAERN CC1(C)CC[C@@H]1OC(=O)/C=C/C1CC1 821838247 583032306 /nfs/dbraw/zinc/03/23/06/583032306.db2.gz UMTQRNLUGVWYAY-PORFMDCZSA-N 0 0 194.274 2.684 10 0 AFAERN CC1(C)CC[C@H]1OC(=O)/C=C\C1CC1 821838248 583032321 /nfs/dbraw/zinc/03/23/21/583032321.db2.gz UMTQRNLUGVWYAY-WWQCOOJYSA-N 0 0 194.274 2.684 10 0 AFAERN CC1(C)CC[C@@H]1OC(=O)/C=C\C1CC1 821838246 583032376 /nfs/dbraw/zinc/03/23/76/583032376.db2.gz UMTQRNLUGVWYAY-OMMCCPJFSA-N 0 0 194.274 2.684 10 0 AFAERN CC1(C)CC[C@H]1OC(=O)/C=C/C1CC1 821838245 583032382 /nfs/dbraw/zinc/03/23/82/583032382.db2.gz UMTQRNLUGVWYAY-BRAIEQGRSA-N 0 0 194.274 2.684 10 0 AFAERN CCC(=O)Oc1cccc(C2CC2)c1 822159430 583033606 /nfs/dbraw/zinc/03/36/06/583033606.db2.gz GPBXTCSWHGDVSO-UHFFFAOYSA-N 0 0 190.242 2.879 10 0 AFAERN CC/C(C)=C/C(=O)N(C)C1CCCC1 822335453 583034532 /nfs/dbraw/zinc/03/45/32/583034532.db2.gz FXODZERGTQYRJD-MDZDMXLPSA-N 0 0 195.306 2.744 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)Oc1ccccc1 822245513 583034594 /nfs/dbraw/zinc/03/45/94/583034594.db2.gz RUQQEHJXJICRGB-MWLCHTKSSA-N 0 0 190.242 2.638 10 0 AFAERN CC/C(C)=C/C(=O)NC1(C)CCCC1 822773004 583038189 /nfs/dbraw/zinc/03/81/89/583038189.db2.gz FREDPFFEDOJUNU-MDZDMXLPSA-N 0 0 195.306 2.792 10 0 AFAERN CC/C(C)=C\C(=O)N(C)C1CCCC1 822335452 583034869 /nfs/dbraw/zinc/03/48/69/583034869.db2.gz FXODZERGTQYRJD-KTKRTIGZSA-N 0 0 195.306 2.744 10 0 AFAERN CC/C(C)=C/C(=O)N(C)[C@@H](C)C(C)C 822402178 583035087 /nfs/dbraw/zinc/03/50/87/583035087.db2.gz FVMUKZOJIZLNCF-UQSGXBNBSA-N 0 0 197.322 2.846 10 0 AFAERN CC/C(C)=C\C(=O)N(C)[C@@H](C)C(C)C 822402175 583035394 /nfs/dbraw/zinc/03/53/94/583035394.db2.gz FVMUKZOJIZLNCF-IEHMKBBKSA-N 0 0 197.322 2.846 10 0 AFAERN CC/C(C)=C\C(=O)N(C)[C@H](C)C(C)C 822402173 583035412 /nfs/dbraw/zinc/03/54/12/583035412.db2.gz FVMUKZOJIZLNCF-HIJJYWJESA-N 0 0 197.322 2.846 10 0 AFAERN CC/C(C)=C/C(=O)N(C)[C@H](C)C(C)C 822402176 583035617 /nfs/dbraw/zinc/03/56/17/583035617.db2.gz FVMUKZOJIZLNCF-RJCSOLBVSA-N 0 0 197.322 2.846 10 0 AFAERN CCCCCCNC(=O)[C@@H]1C[C@H]1CC 822346373 583035664 /nfs/dbraw/zinc/03/56/64/583035664.db2.gz ICIIKEICQYUQNE-GHMZBOCLSA-N 0 0 197.322 2.729 10 0 AFAERN CCC[C@@H](C)N(C)C(=O)/C=C(\C)CC 822499966 583035909 /nfs/dbraw/zinc/03/59/09/583035909.db2.gz BCRZFOJCGUNLQP-PBQZMEPESA-N 0 0 197.322 2.990 10 0 AFAERN CC/C(C)=C\C(=O)N(CC)CC(C)C 822437478 583036001 /nfs/dbraw/zinc/03/60/01/583036001.db2.gz BESGHRWZXKDHFS-FLIBITNWSA-N 0 0 197.322 2.847 10 0 AFAERN CC/C(C)=C/C(=O)N(C)[C@@H](C)C1CC1 822490333 583036052 /nfs/dbraw/zinc/03/60/52/583036052.db2.gz AIPNNPSEMPGQRZ-DDXVTDLHSA-N 0 0 195.306 2.600 10 0 AFAERN CC/C(C)=C/C(=O)N(C)[C@H](C)C1CC1 822490332 583036155 /nfs/dbraw/zinc/03/61/55/583036155.db2.gz AIPNNPSEMPGQRZ-AAXQSMANSA-N 0 0 195.306 2.600 10 0 AFAERN CCC[C@H](C)N(C)C(=O)/C=C(/C)CC 822499965 583036200 /nfs/dbraw/zinc/03/62/00/583036200.db2.gz BCRZFOJCGUNLQP-JUDLJHIGSA-N 0 0 197.322 2.990 10 0 AFAERN CCC[C@H](C)N(C)C(=O)/C=C(\C)CC 822499967 583036229 /nfs/dbraw/zinc/03/62/29/583036229.db2.gz BCRZFOJCGUNLQP-USKTWTLRSA-N 0 0 197.322 2.990 10 0 AFAERN CCC[C@@H](C)N(C)C(=O)/C=C(/C)CC 822499964 583036246 /nfs/dbraw/zinc/03/62/46/583036246.db2.gz BCRZFOJCGUNLQP-DWOQACPDSA-N 0 0 197.322 2.990 10 0 AFAERN CC/C(C)=C/C(=O)NCCC(C)(C)C 822486732 583036257 /nfs/dbraw/zinc/03/62/57/583036257.db2.gz BUDRGRDMFVDUSO-MDZDMXLPSA-N 0 0 197.322 2.895 10 0 AFAERN CC/C(C)=C/C(=O)N(CC)CC(C)C 822437477 583036264 /nfs/dbraw/zinc/03/62/64/583036264.db2.gz BESGHRWZXKDHFS-DHZHZOJOSA-N 0 0 197.322 2.847 10 0 AFAERN CC/C(C)=C\C(=O)N(C)[C@@H](C)C1CC1 822490335 583036344 /nfs/dbraw/zinc/03/63/44/583036344.db2.gz AIPNNPSEMPGQRZ-QROTZFDESA-N 0 0 195.306 2.600 10 0 AFAERN CC/C(C)=C\C(=O)NCCC(C)(C)C 822486731 583036560 /nfs/dbraw/zinc/03/65/60/583036560.db2.gz BUDRGRDMFVDUSO-KTKRTIGZSA-N 0 0 197.322 2.895 10 0 AFAERN CC/C(C)=C\C(=O)N(C)[C@H](C)C1CC1 822490334 583036627 /nfs/dbraw/zinc/03/66/27/583036627.db2.gz AIPNNPSEMPGQRZ-HSTULFTRSA-N 0 0 195.306 2.600 10 0 AFAERN CC/C(C)=C\C(=O)NC[C@@H](C)C1CC1 822752421 583037084 /nfs/dbraw/zinc/03/70/84/583037084.db2.gz HBUMDVYNRWOKLX-UJICNMFASA-N 0 0 195.306 2.505 10 0 AFAERN CC/C(C)=C\C(=O)NCC(C)(C)C 822734970 583037261 /nfs/dbraw/zinc/03/72/61/583037261.db2.gz BWWAXIXOIUPSOV-CLFYSBASSA-N 0 0 183.295 2.505 10 0 AFAERN CC/C(C)=C/C(=O)NC[C@@H](C)C1CC1 822752420 583037270 /nfs/dbraw/zinc/03/72/70/583037270.db2.gz HBUMDVYNRWOKLX-TTZKWOQHSA-N 0 0 195.306 2.505 10 0 AFAERN CC/C(C)=C/C(=O)NCC(C)(C)C 822734972 583037303 /nfs/dbraw/zinc/03/73/03/583037303.db2.gz BWWAXIXOIUPSOV-VQHVLOKHSA-N 0 0 183.295 2.505 10 0 AFAERN CC/C(C)=C/C(=O)NC[C@H](C)C1CC1 822752418 583037324 /nfs/dbraw/zinc/03/73/24/583037324.db2.gz HBUMDVYNRWOKLX-PCYYEKQGSA-N 0 0 195.306 2.505 10 0 AFAERN CC/C(C)=C\C(=O)NC[C@H](C)C1CC1 822752419 583037359 /nfs/dbraw/zinc/03/73/59/583037359.db2.gz HBUMDVYNRWOKLX-RNKPRXRFSA-N 0 0 195.306 2.505 10 0 AFAERN CCN(C(=O)[C@@H]1CCC1(C)C)C(C)C 822920774 583037910 /nfs/dbraw/zinc/03/79/10/583037910.db2.gz DCRJDNXNBXMRDC-JTQLQIEISA-N 0 0 197.322 2.680 10 0 AFAERN CC/C(C)=C\C(=O)NC1(C)CCCC1 822773003 583037967 /nfs/dbraw/zinc/03/79/67/583037967.db2.gz FREDPFFEDOJUNU-KTKRTIGZSA-N 0 0 195.306 2.792 10 0 AFAERN CCN(C(=O)[C@H]1CCC1(C)C)C(C)C 822920775 583038127 /nfs/dbraw/zinc/03/81/27/583038127.db2.gz DCRJDNXNBXMRDC-SNVBAGLBSA-N 0 0 197.322 2.680 10 0 AFAERN CC/C(C)=C/C(=O)NC(C)(C)C(C)C 823064997 583038747 /nfs/dbraw/zinc/03/87/47/583038747.db2.gz FPIGTRKTOVIQPP-CSKARUKUSA-N 0 0 197.322 2.894 10 0 AFAERN CC/C(C)=C/C(=O)N1CCCC1(C)C 823081355 583038831 /nfs/dbraw/zinc/03/88/31/583038831.db2.gz TWHIFDIVVZLVLY-MDZDMXLPSA-N 0 0 195.306 2.744 10 0 AFAERN CC/C(C)=C\C(=O)N1CCCC1(C)C 823081354 583039094 /nfs/dbraw/zinc/03/90/94/583039094.db2.gz TWHIFDIVVZLVLY-KTKRTIGZSA-N 0 0 195.306 2.744 10 0 AFAERN CC/C(C)=C\C(=O)NC(C)(C)C(C)C 823064998 583039128 /nfs/dbraw/zinc/03/91/28/583039128.db2.gz FPIGTRKTOVIQPP-NTMALXAHSA-N 0 0 197.322 2.894 10 0 AFAERN CC/C(C)=C/C(=O)N(C)C[C@@H](C)CC 823237836 583039496 /nfs/dbraw/zinc/03/94/96/583039496.db2.gz GGVWLUWBYZVYMO-UQSGXBNBSA-N 0 0 197.322 2.847 10 0 AFAERN CC/C(C)=C/C(=O)N(C)C[C@H](C)CC 823237835 583039505 /nfs/dbraw/zinc/03/95/05/583039505.db2.gz GGVWLUWBYZVYMO-RJCSOLBVSA-N 0 0 197.322 2.847 10 0 AFAERN CC/C(C)=C\C(=O)N(C)C[C@@H](C)CC 823237833 583039537 /nfs/dbraw/zinc/03/95/37/583039537.db2.gz GGVWLUWBYZVYMO-IEHMKBBKSA-N 0 0 197.322 2.847 10 0 AFAERN CC/C(C)=C\C(=O)N(C)C[C@H](C)CC 823237831 583039710 /nfs/dbraw/zinc/03/97/10/583039710.db2.gz GGVWLUWBYZVYMO-HIJJYWJESA-N 0 0 197.322 2.847 10 0 AFAERN CC[C@@H]1CCN(c2nc(C)cs2)C1 823326570 583040403 /nfs/dbraw/zinc/04/04/03/583040403.db2.gz HZENTGVZWIVVBL-SECBINFHSA-N 0 0 196.319 2.688 10 0 AFAERN CC[C@H]1CCN(c2nc(C)cs2)C1 823326571 583040524 /nfs/dbraw/zinc/04/05/24/583040524.db2.gz HZENTGVZWIVVBL-VIFPVBQESA-N 0 0 196.319 2.688 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)OC1CCCCCC1 825303142 583047082 /nfs/dbraw/zinc/04/70/82/583047082.db2.gz PAKCLHHJGLWSMO-KOLCDFICSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@H]1C[C@H]1C(=O)OC1CCCCCC1 825303141 583047303 /nfs/dbraw/zinc/04/73/03/583047303.db2.gz PAKCLHHJGLWSMO-GXSJLCMTSA-N 0 0 196.290 2.908 10 0 AFAERN CCN(C(=O)C(C)=C1CCC1)C(C)C 825373142 583047895 /nfs/dbraw/zinc/04/78/95/583047895.db2.gz FDFRIKSQACHYCV-UHFFFAOYSA-N 0 0 195.306 2.744 10 0 AFAERN CC/C(C)=C\C(=O)N(C)C(C)(C)CC 826071398 583050349 /nfs/dbraw/zinc/05/03/49/583050349.db2.gz GCOMZCMANHOYAD-KTKRTIGZSA-N 0 0 197.322 2.990 10 0 AFAERN CC/C(C)=C\C(=O)N[C@@H]1CC=CCC1 826079844 583050356 /nfs/dbraw/zinc/05/03/56/583050356.db2.gz DCMQGDKRRGYHAM-DWOQACPDSA-N 0 0 193.290 2.568 10 0 AFAERN CC/C(C)=C/C(=O)N(C)C(C)(C)CC 826071401 583050773 /nfs/dbraw/zinc/05/07/73/583050773.db2.gz GCOMZCMANHOYAD-MDZDMXLPSA-N 0 0 197.322 2.990 10 0 AFAERN CC/C(C)=C\C(=O)N[C@H]1CC=CCC1 826079845 583050802 /nfs/dbraw/zinc/05/08/02/583050802.db2.gz DCMQGDKRRGYHAM-JUDLJHIGSA-N 0 0 193.290 2.568 10 0 AFAERN CC/C(C)=C/C(=O)N[C@H]1CC=CCC1 826079847 583050818 /nfs/dbraw/zinc/05/08/18/583050818.db2.gz DCMQGDKRRGYHAM-USKTWTLRSA-N 0 0 193.290 2.568 10 0 AFAERN CC/C(C)=C/C(=O)N[C@@H]1CC=CCC1 826079846 583050869 /nfs/dbraw/zinc/05/08/69/583050869.db2.gz DCMQGDKRRGYHAM-PBQZMEPESA-N 0 0 193.290 2.568 10 0 AFAERN CC/C(C)=C/C(=O)NCC1(CC)CC1 826913934 583052120 /nfs/dbraw/zinc/05/21/20/583052120.db2.gz HRTIJJROUBBYJF-CSKARUKUSA-N 0 0 195.306 2.649 10 0 AFAERN CC/C(C)=C\C(=O)NCC1(CC)CC1 826913936 583052194 /nfs/dbraw/zinc/05/21/94/583052194.db2.gz HRTIJJROUBBYJF-NTMALXAHSA-N 0 0 195.306 2.649 10 0 AFAERN CC/C(C)=C/C(=O)NC1(CC)CCC1 826812451 583052262 /nfs/dbraw/zinc/05/22/62/583052262.db2.gz MHHHBNYYKJSFBC-MDZDMXLPSA-N 0 0 195.306 2.792 10 0 AFAERN CC/C(C)=C\C(=O)NCC1(C)CCC1 826919270 583052272 /nfs/dbraw/zinc/05/22/72/583052272.db2.gz YNBCOVJXHYNSJN-NTMALXAHSA-N 0 0 195.306 2.649 10 0 AFAERN CC/C(C)=C\C(=O)NC1(CC)CCC1 826812450 583052299 /nfs/dbraw/zinc/05/22/99/583052299.db2.gz MHHHBNYYKJSFBC-KTKRTIGZSA-N 0 0 195.306 2.792 10 0 AFAERN CC/C(C)=C/C(=O)NCC1(C)CCC1 826919269 583052545 /nfs/dbraw/zinc/05/25/45/583052545.db2.gz YNBCOVJXHYNSJN-CSKARUKUSA-N 0 0 195.306 2.649 10 0 AFAERN CC/C(C)=C\C(=O)N1[C@@H](C)CC[C@H]1C 827034745 583052760 /nfs/dbraw/zinc/05/27/60/583052760.db2.gz GMSUFRWTFLXWQM-PXMGBRLRSA-N 0 0 195.306 2.742 10 0 AFAERN CC/C(C)=C/C(=O)N1[C@H](C)CC[C@H]1C 827034746 583052863 /nfs/dbraw/zinc/05/28/63/583052863.db2.gz GMSUFRWTFLXWQM-WUNNSPOASA-N 0 0 195.306 2.742 10 0 AFAERN CC/C(C)=C/C(=O)N1[C@@H](C)CC[C@H]1C 827034743 583053011 /nfs/dbraw/zinc/05/30/11/583053011.db2.gz GMSUFRWTFLXWQM-DKZNMJHJSA-N 0 0 195.306 2.742 10 0 AFAERN CC/C(C)=C\C(=O)N1[C@H](C)CC[C@H]1C 827034744 583053088 /nfs/dbraw/zinc/05/30/88/583053088.db2.gz GMSUFRWTFLXWQM-DLXGREBBSA-N 0 0 195.306 2.742 10 0 AFAERN CON(C)CC/C=C/c1ccccc1 827378837 583054278 /nfs/dbraw/zinc/05/42/78/583054278.db2.gz YROCRTHFJKRDPR-UXBLZVDNSA-N 0 0 191.274 2.583 10 0 AFAERN CON(C)CC/C=C\c1ccccc1 827378835 583054281 /nfs/dbraw/zinc/05/42/81/583054281.db2.gz YROCRTHFJKRDPR-POHAHGRESA-N 0 0 191.274 2.583 10 0 AFAERN CON(C)Cc1c(C)cccc1Cl 827377654 583054726 /nfs/dbraw/zinc/05/47/26/583054726.db2.gz AXRSRWBUVIBPBU-UHFFFAOYSA-N 0 0 199.681 2.642 10 0 AFAERN CC(C)C(C)(C)SCC[C@H](C)O 829481648 583062751 /nfs/dbraw/zinc/06/27/51/583062751.db2.gz RRFWJWDKQYWEJN-VIFPVBQESA-N 0 0 190.352 2.925 10 0 AFAERN CC(C)C(C)(C)SCC[C@@H](C)O 829481647 583062806 /nfs/dbraw/zinc/06/28/06/583062806.db2.gz RRFWJWDKQYWEJN-SECBINFHSA-N 0 0 190.352 2.925 10 0 AFAERN C1CC(OCSC2CCC2)C1 829741790 583063442 /nfs/dbraw/zinc/06/34/42/583063442.db2.gz BGIBHRACANKXCT-UHFFFAOYSA-N 0 0 172.293 2.799 10 0 AFAERN Cc1nc(C)c(CSCC2CC2)o1 829614027 583063741 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YULWACJMOLRGAY-CYNRKNSPSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(\F)C(=O)N1CC[C@H]1C(C)C 867231061 583108605 /nfs/dbraw/zinc/10/86/05/583108605.db2.gz YULWACJMOLRGAY-BSKOKIOFSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(\F)C(=O)N1CC[C@@H]1C(C)C 867231063 583108672 /nfs/dbraw/zinc/10/86/72/583108672.db2.gz YULWACJMOLRGAY-HYHWUIIZSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(/F)C(=O)N1CC[C@@H]1C(C)C 867231064 583108806 /nfs/dbraw/zinc/10/88/06/583108806.db2.gz YULWACJMOLRGAY-NAZIUFLLSA-N 0 0 199.269 2.507 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)O[C@@H]1C=CCCC1 837976112 583109683 /nfs/dbraw/zinc/10/96/83/583109683.db2.gz KFCYCSFJARPAGM-GMTAPVOTSA-N 0 0 194.274 2.684 10 0 AFAERN CC[C@@H]1C[C@H]1C(=O)O[C@H]1C=CCCC1 837976113 583109942 /nfs/dbraw/zinc/10/99/42/583109942.db2.gz KFCYCSFJARPAGM-OUAUKWLOSA-N 0 0 194.274 2.684 10 0 AFAERN CC(C)(C)/C=C/C(=O)N[C@H]1CC1(C)C 840502790 583110306 /nfs/dbraw/zinc/11/03/06/583110306.db2.gz ATDFIRHCWJFQIG-UCUJLANTSA-N 0 0 195.306 2.503 10 0 AFAERN C/C=C/C(=O)N(CC)C1CC(C)(C)C1 840537877 583110393 /nfs/dbraw/zinc/11/03/93/583110393.db2.gz JNSBJLBUFNJIKC-FNORWQNLSA-N 0 0 195.306 2.600 10 0 AFAERN CC(C)(C)/C=C\C(=O)N[C@H]1CC1(C)C 840502789 583110396 /nfs/dbraw/zinc/11/03/96/583110396.db2.gz ATDFIRHCWJFQIG-NMTCXDENSA-N 0 0 195.306 2.503 10 0 AFAERN C/C=C\C(=O)N(CC)C1CC(C)(C)C1 840537875 583110634 /nfs/dbraw/zinc/11/06/34/583110634.db2.gz JNSBJLBUFNJIKC-ALCCZGGFSA-N 0 0 195.306 2.600 10 0 AFAERN CCC(=O)Oc1ccc(C)c(Cl)c1 841333312 583113448 /nfs/dbraw/zinc/11/34/48/583113448.db2.gz DOIPMMAPTWXYKU-UHFFFAOYSA-N 0 0 198.649 2.964 10 0 AFAERN O=C(OCCCF)Oc1ccccc1 841473724 583114312 /nfs/dbraw/zinc/11/43/12/583114312.db2.gz DYYNWJUILSVHJB-UHFFFAOYSA-N 0 0 198.193 2.562 10 0 AFAERN CCC(=O)OC[C@H](C)c1ccccc1 104370909 583114506 /nfs/dbraw/zinc/11/45/06/583114506.db2.gz LYKBHIHIBJGTTD-JTQLQIEISA-N 0 0 192.258 2.743 10 0 AFAERN CC(=O)OC[C@@H]1CCCC(C)(C)C1 104368876 583114615 /nfs/dbraw/zinc/11/46/15/583114615.db2.gz UWINHXYRLRCUOR-SNVBAGLBSA-N 0 0 184.279 2.766 10 0 AFAERN CC(=O)OC[C@H]1CCCC(C)(C)C1 104368881 583114630 /nfs/dbraw/zinc/11/46/30/583114630.db2.gz UWINHXYRLRCUOR-JTQLQIEISA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)Cc1noc(/C=C/C2CC2)n1 841736053 583118127 /nfs/dbraw/zinc/11/81/27/583118127.db2.gz ZSXCMGYSCHUMAW-AATRIKPKSA-N 0 0 192.262 2.691 10 0 AFAERN CC(C)Cc1noc(/C=C\C2CC2)n1 841736054 583118657 /nfs/dbraw/zinc/11/86/57/583118657.db2.gz ZSXCMGYSCHUMAW-WAYWQWQTSA-N 0 0 192.262 2.691 10 0 AFAERN CCCCCCn1cnc(C2CC2)n1 842051558 583120253 /nfs/dbraw/zinc/12/02/53/583120253.db2.gz CWQVHCDJKYLRTM-UHFFFAOYSA-N 0 0 193.294 2.736 10 0 AFAERN CCC[C@H](C)SCCC1(O)CC1 842176385 583122026 /nfs/dbraw/zinc/12/20/26/583122026.db2.gz AIAXQPNAEXBTOT-VIFPVBQESA-N 0 0 188.336 2.823 10 0 AFAERN CCC[C@@H](C)SCCC1(O)CC1 842176384 583122673 /nfs/dbraw/zinc/12/26/73/583122673.db2.gz AIAXQPNAEXBTOT-SECBINFHSA-N 0 0 188.336 2.823 10 0 AFAERN CCSCC1CC(F)(F)C1 842172897 583122753 /nfs/dbraw/zinc/12/27/53/583122753.db2.gz FJSLKUOCBOFWGP-UHFFFAOYSA-N 0 0 166.236 2.785 10 0 AFAERN CCCC[C@@H](C)OC(=O)C1(F)CC1 842736453 583128555 /nfs/dbraw/zinc/12/85/55/583128555.db2.gz CUIXCCMGULQVPT-MRVPVSSYSA-N 0 0 188.242 2.610 10 0 AFAERN CCCC[C@H](C)OC(=O)C1(F)CC1 842736454 583128998 /nfs/dbraw/zinc/12/89/98/583128998.db2.gz CUIXCCMGULQVPT-QMMMGPOBSA-N 0 0 188.242 2.610 10 0 AFAERN CCC[C@@H](CC)OC(=O)C1(F)CC1 842737400 583129313 /nfs/dbraw/zinc/12/93/13/583129313.db2.gz ITHKCFPWYLDJKR-MRVPVSSYSA-N 0 0 188.242 2.610 10 0 AFAERN CCC[C@H](CC)OC(=O)C1(F)CC1 842737402 583129769 /nfs/dbraw/zinc/12/97/69/583129769.db2.gz ITHKCFPWYLDJKR-QMMMGPOBSA-N 0 0 188.242 2.610 10 0 AFAERN C/C=C(/C)COC(=O)[C@@H]1CC=CCC1 842849735 583130991 /nfs/dbraw/zinc/13/09/91/583130991.db2.gz CUIFRCCFSUVTDL-LBQOUHFTSA-N 0 0 194.274 2.852 10 0 AFAERN C/C=C(/C)COC(=O)C1(C)CCC1 842845206 583130079 /nfs/dbraw/zinc/13/00/79/583130079.db2.gz BRBXKNFMEHWITK-WTKPLQERSA-N 0 0 182.263 2.686 10 0 AFAERN C/C=C(\C)COC(=O)[C@H](C)CCC 842846087 583130089 /nfs/dbraw/zinc/13/00/89/583130089.db2.gz IDIDJSVVWWBABA-OLKPEBQYSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(\C)COC(=O)[C@@H](C)CCC 842846088 583130184 /nfs/dbraw/zinc/13/01/84/583130184.db2.gz IDIDJSVVWWBABA-ZKXNXJMVSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(\C)COC(=O)C1(C)CCC1 842845204 583130219 /nfs/dbraw/zinc/13/02/19/583130219.db2.gz BRBXKNFMEHWITK-RUDMXATFSA-N 0 0 182.263 2.686 10 0 AFAERN C/C=C(/C)COC(=O)[C@H](C)CCC 842846085 583130251 /nfs/dbraw/zinc/13/02/51/583130251.db2.gz IDIDJSVVWWBABA-ABRRARGCSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(/C)COC(=O)C(C)(C)C1CC1 842845439 583130261 /nfs/dbraw/zinc/13/02/61/583130261.db2.gz HOBXXCITMJEWQD-UITAMQMPSA-N 0 0 196.290 2.932 10 0 AFAERN C/C=C(/C)COC(=O)[C@@H](C)CCC 842846086 583130415 /nfs/dbraw/zinc/13/04/15/583130415.db2.gz IDIDJSVVWWBABA-MBACFSSFSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(\C)COC(=O)C(C)(C)C1CC1 842845440 583130472 /nfs/dbraw/zinc/13/04/72/583130472.db2.gz HOBXXCITMJEWQD-WEVVVXLNSA-N 0 0 196.290 2.932 10 0 AFAERN CCC[C@@H](C)c1noc(C2(F)CC2)n1 842961868 583130621 /nfs/dbraw/zinc/13/06/21/583130621.db2.gz KQCXHPVPWJRBLV-SSDOTTSWSA-N 0 0 198.241 2.932 10 0 AFAERN C/C=C(\C)COC(=O)[C@H]1CC=CCC1 842849736 583130665 /nfs/dbraw/zinc/13/06/65/583130665.db2.gz CUIFRCCFSUVTDL-LFJXOHPOSA-N 0 0 194.274 2.852 10 0 AFAERN C/C=C(/C)COC(=O)CC(C)(C)C 842849584 583130722 /nfs/dbraw/zinc/13/07/22/583130722.db2.gz BJYNZGMERNINSH-TWGQIWQCSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(\C)COC(=O)[C@@H]1CC=CCC1 842849734 583130753 /nfs/dbraw/zinc/13/07/53/583130753.db2.gz CUIFRCCFSUVTDL-JNZVDCKRSA-N 0 0 194.274 2.852 10 0 AFAERN C/C=C(\C)COC(=O)CCC(C)C 842849617 583130984 /nfs/dbraw/zinc/13/09/84/583130984.db2.gz CCCPBZKOHRVTFX-BJMVGYQFSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(/C)COC(=O)[C@H]1CC=CCC1 842849733 583131075 /nfs/dbraw/zinc/13/10/75/583131075.db2.gz CUIFRCCFSUVTDL-CGXZDELUSA-N 0 0 194.274 2.852 10 0 AFAERN CCC[C@H](C)c1noc(C2(F)CC2)n1 842961869 583131109 /nfs/dbraw/zinc/13/11/09/583131109.db2.gz KQCXHPVPWJRBLV-ZETCQYMHSA-N 0 0 198.241 2.932 10 0 AFAERN C/C=C(\C)COC(=O)CC(C)(C)C 842849583 583131174 /nfs/dbraw/zinc/13/11/74/583131174.db2.gz BJYNZGMERNINSH-RMKNXTFCSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(/C)COC(=O)CCC(C)C 842849618 583131196 /nfs/dbraw/zinc/13/11/96/583131196.db2.gz CCCPBZKOHRVTFX-YHYXMXQVSA-N 0 0 184.279 2.932 10 0 AFAERN OC1(CCSCC2=CCCC2)CC1 843302422 583132204 /nfs/dbraw/zinc/13/22/04/583132204.db2.gz MGJKYQDIWHUHJY-UHFFFAOYSA-N 0 0 198.331 2.745 10 0 AFAERN CCCN(C)C(=O)/C=C/C1CCCC1 843537807 583133783 /nfs/dbraw/zinc/13/37/83/583133783.db2.gz COLMXQDEERCIDF-CMDGGOBGSA-N 0 0 195.306 2.601 10 0 AFAERN CCCN(C)C(=O)/C=C\C1CCCC1 843537808 583133881 /nfs/dbraw/zinc/13/38/81/583133881.db2.gz COLMXQDEERCIDF-HJWRWDBZSA-N 0 0 195.306 2.601 10 0 AFAERN C/C=C(\CC)C(=O)N(C)C(C)(C)C 843712648 583134888 /nfs/dbraw/zinc/13/48/88/583134888.db2.gz HSYNTKBQOPMMLA-VQHVLOKHSA-N 0 0 183.295 2.600 10 0 AFAERN CN(C(=O)/C=C\C(C)(C)C)C(C)(C)C 843713945 583135036 /nfs/dbraw/zinc/13/50/36/583135036.db2.gz YQPXNTZAIXVWGY-HJWRWDBZSA-N 0 0 197.322 2.846 10 0 AFAERN C/C=C(/CC)C(=O)N(C)C(C)(C)C 843712647 583135124 /nfs/dbraw/zinc/13/51/24/583135124.db2.gz HSYNTKBQOPMMLA-CLFYSBASSA-N 0 0 183.295 2.600 10 0 AFAERN CN(C(=O)C(F)=C1CCC1)C(C)(C)C 843717274 583135223 /nfs/dbraw/zinc/13/52/23/583135223.db2.gz VOHBUIJABYCOLF-UHFFFAOYSA-N 0 0 199.269 2.651 10 0 AFAERN CN(C(=O)/C=C/C(C)(C)C)C(C)(C)C 843713944 583135351 /nfs/dbraw/zinc/13/53/51/583135351.db2.gz YQPXNTZAIXVWGY-CMDGGOBGSA-N 0 0 197.322 2.846 10 0 AFAERN CCC/C=C/C(=O)N(OCC)C(C)C 844081745 583137675 /nfs/dbraw/zinc/13/76/75/583137675.db2.gz HUNSWYNQLQLIFT-CMDGGOBGSA-N 0 0 199.294 2.531 10 0 AFAERN CC/C=C(\C)C(=O)N(OCC)C(C)C 844077285 583137767 /nfs/dbraw/zinc/13/77/67/583137767.db2.gz HEOXCZQSOVEQIO-CSKARUKUSA-N 0 0 199.294 2.531 10 0 AFAERN CC/C=C(/C)C(=O)N(OCC)C(C)C 844077286 583137929 /nfs/dbraw/zinc/13/79/29/583137929.db2.gz HEOXCZQSOVEQIO-NTMALXAHSA-N 0 0 199.294 2.531 10 0 AFAERN CCC/C=C\C(=O)N(OCC)C(C)C 844081746 583137930 /nfs/dbraw/zinc/13/79/30/583137930.db2.gz HUNSWYNQLQLIFT-HJWRWDBZSA-N 0 0 199.294 2.531 10 0 AFAERN CC[C@@H]1CCCC[C@@H]1OC(=O)C1CC1 844258969 583139748 /nfs/dbraw/zinc/13/97/48/583139748.db2.gz QCDYWNNPVKEWCW-KOLCDFICSA-N 0 0 196.290 2.908 10 0 AFAERN CC[C@H]1CCCC[C@@H]1OC(=O)C1CC1 844258971 583139843 /nfs/dbraw/zinc/13/98/43/583139843.db2.gz QCDYWNNPVKEWCW-ONGXEEELSA-N 0 0 196.290 2.908 10 0 AFAERN CC[C@H]1CCCC[C@H]1OC(=O)C1CC1 844258968 583139918 /nfs/dbraw/zinc/13/99/18/583139918.db2.gz QCDYWNNPVKEWCW-GXSJLCMTSA-N 0 0 196.290 2.908 10 0 AFAERN CC[C@@H]1CCCC[C@H]1OC(=O)C1CC1 844258970 583140083 /nfs/dbraw/zinc/14/00/83/583140083.db2.gz QCDYWNNPVKEWCW-MWLCHTKSSA-N 0 0 196.290 2.908 10 0 AFAERN CCNC(=O)/C=C\C1CCCCCC1 844314116 583140691 /nfs/dbraw/zinc/14/06/91/583140691.db2.gz CHDKBGIAJDNBIV-KTKRTIGZSA-N 0 0 195.306 2.649 10 0 AFAERN CCNC(=O)/C=C/C1CCCCCC1 844314117 583141063 /nfs/dbraw/zinc/14/10/63/583141063.db2.gz CHDKBGIAJDNBIV-MDZDMXLPSA-N 0 0 195.306 2.649 10 0 AFAERN C/C=C(/CC)C(=O)N[C@H](C)C(C)(C)C 844968585 583147670 /nfs/dbraw/zinc/14/76/70/583147670.db2.gz UKMQUGAYQUAPTM-SBMLRHLQSA-N 0 0 197.322 2.894 10 0 AFAERN O=Cc1ccc(OC2CCC2)cc1F 844767451 583147676 /nfs/dbraw/zinc/14/76/76/583147676.db2.gz BNVMUYTYTDPTFJ-UHFFFAOYSA-N 0 0 194.205 2.570 10 0 AFAERN CC/C=C(/C)C(=O)N[C@H](C)C(C)(C)C 844968815 583147687 /nfs/dbraw/zinc/14/76/87/583147687.db2.gz CZUDIKYIRHKDQJ-HSTULFTRSA-N 0 0 197.322 2.894 10 0 AFAERN C[C@@H](NC(=O)[C@@H]1CC1(C)C)C(C)(C)C 844967691 583147699 /nfs/dbraw/zinc/14/76/99/583147699.db2.gz HEZRBLGZFACEFO-BDAKNGLRSA-N 0 0 197.322 2.583 10 0 AFAERN C[C@@H](NC(=O)/C=C\C1CC1)C(C)(C)C 844968584 583147711 /nfs/dbraw/zinc/14/77/11/583147711.db2.gz UHVAJVHFMGSKBD-UFGYOYAJSA-N 0 0 195.306 2.503 10 0 AFAERN C/C=C/C=C/C(=O)N[C@H](C)C(C)(C)C 844969742 583147717 /nfs/dbraw/zinc/14/77/17/583147717.db2.gz UJRKPFYAADHLOI-JETOPDJTSA-N 0 0 195.306 2.670 10 0 AFAERN CC(C)=C(C)C(=O)N[C@H](C)C(C)(C)C 844968162 583147723 /nfs/dbraw/zinc/14/77/23/583147723.db2.gz MYZYSVRAYIWFIJ-SNVBAGLBSA-N 0 0 197.322 2.894 10 0 AFAERN C[C@@H](NC(=O)/C=C/C1CC1)C(C)(C)C 844968583 583147730 /nfs/dbraw/zinc/14/77/30/583147730.db2.gz UHVAJVHFMGSKBD-FCZSHJHJSA-N 0 0 195.306 2.503 10 0 AFAERN C/C=C/C=C\C(=O)N[C@H](C)C(C)(C)C 844969743 583147888 /nfs/dbraw/zinc/14/78/88/583147888.db2.gz UJRKPFYAADHLOI-QJUCLWAMSA-N 0 0 195.306 2.670 10 0 AFAERN CC/C(C)=C/C(=O)N[C@H](C)C(C)(C)C 844970821 583147912 /nfs/dbraw/zinc/14/79/12/583147912.db2.gz YOGKDOVBGCIJKY-AAXQSMANSA-N 0 0 197.322 2.894 10 0 AFAERN C[C@@H](NC(=O)C=C1CCC1)C(C)(C)C 844967756 583147961 /nfs/dbraw/zinc/14/79/61/583147961.db2.gz JDURGRZPQZLSLG-SECBINFHSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C\C(=O)N[C@H](C)C(C)(C)C 844970822 583147973 /nfs/dbraw/zinc/14/79/73/583147973.db2.gz YOGKDOVBGCIJKY-HSTULFTRSA-N 0 0 197.322 2.894 10 0 AFAERN C/C=C(\CC)C(=O)N[C@H](C)C(C)(C)C 844968586 583148191 /nfs/dbraw/zinc/14/81/91/583148191.db2.gz UKMQUGAYQUAPTM-YIXGCBLDSA-N 0 0 197.322 2.894 10 0 AFAERN CN(C)C(=O)/C=C\C1CCCCCC1 845151250 583148496 /nfs/dbraw/zinc/14/84/96/583148496.db2.gz UOGLMCAHSTVTME-KTKRTIGZSA-N 0 0 195.306 2.601 10 0 AFAERN CCCCSC1=NCCS1 5466383 583148665 /nfs/dbraw/zinc/14/86/65/583148665.db2.gz ATSNNLQPZFXLMD-UHFFFAOYSA-N 0 0 175.322 2.623 10 0 AFAERN CN(C)C(=O)/C=C/C1CCCCCC1 845151251 583148690 /nfs/dbraw/zinc/14/86/90/583148690.db2.gz UOGLMCAHSTVTME-MDZDMXLPSA-N 0 0 195.306 2.601 10 0 AFAERN CC(C)COC(=O)[C@@H]1C[C@H]1C1CCC1 845222614 583148705 /nfs/dbraw/zinc/14/87/05/583148705.db2.gz FXPSKDXCASOLEO-WDEREUQCSA-N 0 0 196.290 2.622 10 0 AFAERN CCCCOC(=O)[C@@H]1C[C@H]1C1CCC1 845222565 583148725 /nfs/dbraw/zinc/14/87/25/583148725.db2.gz FOEFZRBNAFOUTC-WDEREUQCSA-N 0 0 196.290 2.766 10 0 AFAERN CCCOC(=O)[C@@H]1C[C@@H]1C1CCCC1 845339440 583149217 /nfs/dbraw/zinc/14/92/17/583149217.db2.gz LUSOTZVIPAKARP-GHMZBOCLSA-N 0 0 196.290 2.766 10 0 AFAERN CCCOC(=O)[C@@H]1C[C@H]1C1CCCC1 845339448 583149596 /nfs/dbraw/zinc/14/95/96/583149596.db2.gz LUSOTZVIPAKARP-WDEREUQCSA-N 0 0 196.290 2.766 10 0 AFAERN CCCOC(=O)[C@H]1C[C@H]1C1CCCC1 845339445 583149625 /nfs/dbraw/zinc/14/96/25/583149625.db2.gz LUSOTZVIPAKARP-QWRGUYRKSA-N 0 0 196.290 2.766 10 0 AFAERN CCCC(C)(C)C(=O)OCCCF 845356540 583149650 /nfs/dbraw/zinc/14/96/50/583149650.db2.gz HVVYEAAYSLUDMB-UHFFFAOYSA-N 0 0 190.258 2.716 10 0 AFAERN CCCOC(=O)[C@H]1C[C@@H]1C1CCCC1 845339443 583149705 /nfs/dbraw/zinc/14/97/05/583149705.db2.gz LUSOTZVIPAKARP-MNOVXSKESA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)C(=O)OC[C@@H]1CC[C@H]2C[C@H]2C1 845772433 583151567 /nfs/dbraw/zinc/15/15/67/583151567.db2.gz MJCWKUXCSZJMQJ-OUAUKWLOSA-N 0 0 196.290 2.622 10 0 AFAERN CC(=O)O[C@H]1CCCC12CCCC2 845728397 583151579 /nfs/dbraw/zinc/15/15/79/583151579.db2.gz KMFDZRPAMGSCSU-JTQLQIEISA-N 0 0 182.263 2.662 10 0 AFAERN CC(C)C(=O)OC[C@@H]1CC[C@@H]2C[C@@H]2C1 845772432 583151656 /nfs/dbraw/zinc/15/16/56/583151656.db2.gz MJCWKUXCSZJMQJ-MXWKQRLJSA-N 0 0 196.290 2.622 10 0 AFAERN CC(=O)O[C@@H]1CCCC12CCCC2 845728399 583151699 /nfs/dbraw/zinc/15/16/99/583151699.db2.gz KMFDZRPAMGSCSU-SNVBAGLBSA-N 0 0 182.263 2.662 10 0 AFAERN CCC(=O)OCCC(C)(C)C1CC1 845886189 583152442 /nfs/dbraw/zinc/15/24/42/583152442.db2.gz HRDVPENCMTUULK-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)(CCOC(=O)C1CC1)C1CC1 845885064 583152548 /nfs/dbraw/zinc/15/25/48/583152548.db2.gz GETCXRFHCNTHPC-UHFFFAOYSA-N 0 0 196.290 2.766 10 0 AFAERN CCc1ccncc1N[C@@H]1CC[C@H]1C 846070122 583152872 /nfs/dbraw/zinc/15/28/72/583152872.db2.gz IKELHZHLNYAIDJ-MWLCHTKSSA-N 0 0 190.290 2.854 10 0 AFAERN C[C@@H](NC(=O)OC1CCC1)C(C)(C)C 846025585 583152976 /nfs/dbraw/zinc/15/29/76/583152976.db2.gz JNDKNRSFEUDXAP-MRVPVSSYSA-N 0 0 199.294 2.700 10 0 AFAERN C[C@@H](NC(=O)OCC1CC1)C(C)(C)C 846026790 583153121 /nfs/dbraw/zinc/15/31/21/583153121.db2.gz VSNPYAHHCPBMNY-MRVPVSSYSA-N 0 0 199.294 2.557 10 0 AFAERN CCc1ccncc1N[C@@H]1CC[C@@H]1C 846070117 583153189 /nfs/dbraw/zinc/15/31/89/583153189.db2.gz IKELHZHLNYAIDJ-GXSJLCMTSA-N 0 0 190.290 2.854 10 0 AFAERN CCc1ccncc1N[C@H]1CC[C@@H]1C 846070124 583153262 /nfs/dbraw/zinc/15/32/62/583153262.db2.gz IKELHZHLNYAIDJ-ONGXEEELSA-N 0 0 190.290 2.854 10 0 AFAERN CCc1ccncc1N[C@H]1CC[C@H]1C 846070119 583153333 /nfs/dbraw/zinc/15/33/33/583153333.db2.gz IKELHZHLNYAIDJ-KOLCDFICSA-N 0 0 190.290 2.854 10 0 AFAERN CCC/C=C/C(=O)N[C@H](C)C(C)(C)C 846592874 583157963 /nfs/dbraw/zinc/15/79/63/583157963.db2.gz COBKVXWSOKBBAZ-AAXQSMANSA-N 0 0 197.322 2.894 10 0 AFAERN COC(=O)Oc1cccc(C2CC2)c1 867431257 583158035 /nfs/dbraw/zinc/15/80/35/583158035.db2.gz FZWUVVFYELBOMM-UHFFFAOYSA-N 0 0 192.214 2.709 10 0 AFAERN CCC/C=C\C(=O)N[C@H](C)C(C)(C)C 846592877 583158584 /nfs/dbraw/zinc/15/85/84/583158584.db2.gz COBKVXWSOKBBAZ-HSTULFTRSA-N 0 0 197.322 2.894 10 0 AFAERN CC1=C(C)CN(c2nccs2)CC1 846749099 583159530 /nfs/dbraw/zinc/15/95/30/583159530.db2.gz DDBWNHBMKUMARA-UHFFFAOYSA-N 0 0 194.303 2.690 10 0 AFAERN CON(C)Cc1ccc(C)cc1Cl 846770336 583160376 /nfs/dbraw/zinc/16/03/76/583160376.db2.gz ASJFVYFJXDYOSN-UHFFFAOYSA-N 0 0 199.681 2.642 10 0 AFAERN C/C=C(/CC)C(=O)N(CCC)C(C)C 847170920 583162049 /nfs/dbraw/zinc/16/20/49/583162049.db2.gz GWLZFNVDIXVTQP-XFFZJAGNSA-N 0 0 197.322 2.990 10 0 AFAERN CC/C=C(\C)C(=O)NC1(C)CC=CC1 847150024 583162051 /nfs/dbraw/zinc/16/20/51/583162051.db2.gz CDTQYCRYOHSDCU-JXMROGBWSA-N 0 0 193.290 2.568 10 0 AFAERN CCCN(C(=O)/C=C\C1CC1)C(C)C 847173533 583162123 /nfs/dbraw/zinc/16/21/23/583162123.db2.gz UAUYFYKWILQBNV-FPLPWBNLSA-N 0 0 195.306 2.600 10 0 AFAERN C/C=C(\CC)C(=O)N(CCC)C(C)C 847170921 583162159 /nfs/dbraw/zinc/16/21/59/583162159.db2.gz GWLZFNVDIXVTQP-YRNVUSSQSA-N 0 0 197.322 2.990 10 0 AFAERN CC/C=C(/C)C(=O)NC1(C)CC=CC1 847150027 583162288 /nfs/dbraw/zinc/16/22/88/583162288.db2.gz CDTQYCRYOHSDCU-YFHOEESVSA-N 0 0 193.290 2.568 10 0 AFAERN C/C=C(\C)C(=O)OC[C@H](C)CC 5922156 583162358 /nfs/dbraw/zinc/16/23/58/583162358.db2.gz DEJJNOHKWLTTKE-GTUWVTDSSA-N 0 0 170.252 2.542 10 0 AFAERN CCCN(C(=O)[C@@H]1CC1(C)C)C(C)C 847172514 583162415 /nfs/dbraw/zinc/16/24/15/583162415.db2.gz OTVXFPBATVMYIJ-JTQLQIEISA-N 0 0 197.322 2.680 10 0 AFAERN CCCN(C(=O)/C=C/C1CC1)C(C)C 847173532 583162421 /nfs/dbraw/zinc/16/24/21/583162421.db2.gz UAUYFYKWILQBNV-BQYQJAHWSA-N 0 0 195.306 2.600 10 0 AFAERN C/C=C(\C)C(=O)OC[C@@H](C)CC 5924764 583162464 /nfs/dbraw/zinc/16/24/64/583162464.db2.gz DEJJNOHKWLTTKE-CYXIBPNKSA-N 0 0 170.252 2.542 10 0 AFAERN C/C(=C\c1ccco1)C(=O)OC(C)C 847632651 583163452 /nfs/dbraw/zinc/16/34/52/583163452.db2.gz BIILYKQGSSQGBG-VQHVLOKHSA-N 0 0 194.230 2.635 10 0 AFAERN C/C(=C/c1ccco1)C(=O)OC(C)C 847632650 583164020 /nfs/dbraw/zinc/16/40/20/583164020.db2.gz BIILYKQGSSQGBG-CLFYSBASSA-N 0 0 194.230 2.635 10 0 AFAERN CC(C)CCCON=C(N)[C@H]1C[C@H]1C 848521877 583168090 /nfs/dbraw/zinc/16/80/90/583168090.db2.gz UGVKJHPVXCZCOM-ZJUUUORDSA-N 0 0 198.310 2.577 10 0 AFAERN CC(C)CCCON=C(N)[C@H]1C[C@@H]1C 848521875 583168143 /nfs/dbraw/zinc/16/81/43/583168143.db2.gz UGVKJHPVXCZCOM-UWVGGRQHSA-N 0 0 198.310 2.577 10 0 AFAERN CC(C)CCCON=C(N)[C@@H]1C[C@@H]1C 848521876 583168349 /nfs/dbraw/zinc/16/83/49/583168349.db2.gz UGVKJHPVXCZCOM-VHSXEESVSA-N 0 0 198.310 2.577 10 0 AFAERN CC(C)CCCON=C(N)[C@@H]1C[C@H]1C 848521873 583168460 /nfs/dbraw/zinc/16/84/60/583168460.db2.gz UGVKJHPVXCZCOM-NXEZZACHSA-N 0 0 198.310 2.577 10 0 AFAERN C[C@@H]1C[C@H]1C(N)=NOCCC(C)(C)C 848521943 583168691 /nfs/dbraw/zinc/16/86/91/583168691.db2.gz UYJMFUXLYASWCC-RKDXNWHRSA-N 0 0 198.310 2.577 10 0 AFAERN C[C@H]1C[C@H]1C(N)=NOCCC(C)(C)C 848521940 583168961 /nfs/dbraw/zinc/16/89/61/583168961.db2.gz UYJMFUXLYASWCC-DTWKUNHWSA-N 0 0 198.310 2.577 10 0 AFAERN C[C@@H]1C[C@@H]1C(N)=NOCCC(C)(C)C 848521938 583169124 /nfs/dbraw/zinc/16/91/24/583169124.db2.gz UYJMFUXLYASWCC-BDAKNGLRSA-N 0 0 198.310 2.577 10 0 AFAERN CC(C)C[C@H](C)ON=C(N)[C@H]1C[C@H]1C 848520932 583169239 /nfs/dbraw/zinc/16/92/39/583169239.db2.gz QQNTUKRXPZQNSK-UTLUCORTSA-N 0 0 198.310 2.575 10 0 AFAERN CC(C)C[C@H](C)ON=C(N)[C@@H]1C[C@@H]1C 848520931 583169510 /nfs/dbraw/zinc/16/95/10/583169510.db2.gz QQNTUKRXPZQNSK-LPEHRKFASA-N 0 0 198.310 2.575 10 0 AFAERN C[C@H]1C[C@@H]1C(N)=NOCCC(C)(C)C 848521942 583169530 /nfs/dbraw/zinc/16/95/30/583169530.db2.gz UYJMFUXLYASWCC-IUCAKERBSA-N 0 0 198.310 2.577 10 0 AFAERN CC(C)C[C@H](C)ON=C(N)[C@H]1C[C@@H]1C 848520928 583169532 /nfs/dbraw/zinc/16/95/32/583169532.db2.gz QQNTUKRXPZQNSK-GUBZILKMSA-N 0 0 198.310 2.575 10 0 AFAERN CC(C)C[C@H](C)ON=C(N)[C@@H]1C[C@H]1C 848520930 583169553 /nfs/dbraw/zinc/16/95/53/583169553.db2.gz QQNTUKRXPZQNSK-KXUCPTDWSA-N 0 0 198.310 2.575 10 0 AFAERN CCC[N@H+](Cc1ccoc1)C(C)C 848923458 583170818 /nfs/dbraw/zinc/17/08/18/583170818.db2.gz KIUYVJFJYRWGIU-UHFFFAOYSA-N 0 0 181.279 2.900 10 0 AFAERN CC(C)C(=O)OC[C@H]1CC=CC[C@@H]1C 849186230 583180041 /nfs/dbraw/zinc/18/00/41/583180041.db2.gz GUQHZYBDTFMBOX-WDEREUQCSA-N 0 0 196.290 2.788 10 0 AFAERN CCC/C=C/C(=O)N(CCC)CCC 849477392 583180483 /nfs/dbraw/zinc/18/04/83/583180483.db2.gz BZUAVVPWMHWMDD-CMDGGOBGSA-N 0 0 197.322 2.991 10 0 AFAERN CCC/C=C\C(=O)N(CCC)CCC 849477393 583180525 /nfs/dbraw/zinc/18/05/25/583180525.db2.gz BZUAVVPWMHWMDD-HJWRWDBZSA-N 0 0 197.322 2.991 10 0 AFAERN CC(C)=CCCOC(=O)C=C(C)C 849623730 583180568 /nfs/dbraw/zinc/18/05/68/583180568.db2.gz AGFLWDCJIQDIAP-UHFFFAOYSA-N 0 0 182.263 2.852 10 0 AFAERN CCC(=O)OC[C@@H]1CCCC[C@H]1C 849632183 583181593 /nfs/dbraw/zinc/18/15/93/583181593.db2.gz HGFDBDYJKDPHMK-ZJUUUORDSA-N 0 0 184.279 2.766 10 0 AFAERN C[C@@H]1C[C@H]1C(=O)OCCCC1CCC1 849635069 583181247 /nfs/dbraw/zinc/18/12/47/583181247.db2.gz OPXVXXRZJLNAAM-MWLCHTKSSA-N 0 0 196.290 2.766 10 0 AFAERN CCC(=O)OC[C@H]1CCCC[C@@H]1C 849632182 583181288 /nfs/dbraw/zinc/18/12/88/583181288.db2.gz HGFDBDYJKDPHMK-VHSXEESVSA-N 0 0 184.279 2.766 10 0 AFAERN C[C@H]1C[C@H]1C(=O)OCCCC1CCC1 849635067 583181350 /nfs/dbraw/zinc/18/13/50/583181350.db2.gz OPXVXXRZJLNAAM-GXSJLCMTSA-N 0 0 196.290 2.766 10 0 AFAERN CCC(=O)OC[C@@H]1CCCC[C@@H]1C 849632181 583181364 /nfs/dbraw/zinc/18/13/64/583181364.db2.gz HGFDBDYJKDPHMK-UWVGGRQHSA-N 0 0 184.279 2.766 10 0 AFAERN CCC(=O)OC[C@H]1CCCC[C@H]1C 849632180 583181374 /nfs/dbraw/zinc/18/13/74/583181374.db2.gz HGFDBDYJKDPHMK-NXEZZACHSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)=CCCOC(=O)[C@@H]1C[C@@H]1C 849633339 583181412 /nfs/dbraw/zinc/18/14/12/583181412.db2.gz FKFOMNWGQOESRS-VHSXEESVSA-N 0 0 182.263 2.542 10 0 AFAERN CCCC(=O)OCCC=C(C)C 849627696 583181455 /nfs/dbraw/zinc/18/14/55/583181455.db2.gz AURHTUQYAASTRK-UHFFFAOYSA-N 0 0 170.252 2.686 10 0 AFAERN C[C@@H]1C[C@@H]1C(=O)OCCCC1CCC1 849635068 583181518 /nfs/dbraw/zinc/18/15/18/583181518.db2.gz OPXVXXRZJLNAAM-KOLCDFICSA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)C(=O)OCCCC1CCC1 849627804 583181520 /nfs/dbraw/zinc/18/15/20/583181520.db2.gz IRNASZAVAJYOSQ-UHFFFAOYSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)=CCCOC(=O)[C@H]1C[C@@H]1C 849633338 583181600 /nfs/dbraw/zinc/18/16/00/583181600.db2.gz FKFOMNWGQOESRS-UWVGGRQHSA-N 0 0 182.263 2.542 10 0 AFAERN O=C(OCCCC1CCC1)C1CC1 849634610 583181612 /nfs/dbraw/zinc/18/16/12/583181612.db2.gz LLVUDDTWLRFXKE-UHFFFAOYSA-N 0 0 182.263 2.520 10 0 AFAERN C[C@H]1C[C@@H]1C(=O)OCCCC1CCC1 849635071 583181673 /nfs/dbraw/zinc/18/16/73/583181673.db2.gz OPXVXXRZJLNAAM-ONGXEEELSA-N 0 0 196.290 2.766 10 0 AFAERN CC(C)=CCCOC(=O)[C@@H]1C[C@H]1C 849633337 583181855 /nfs/dbraw/zinc/18/18/55/583181855.db2.gz FKFOMNWGQOESRS-NXEZZACHSA-N 0 0 182.263 2.542 10 0 AFAERN CCC(=O)OCCCC1CCC1 849635301 583181869 /nfs/dbraw/zinc/18/18/69/583181869.db2.gz YTRRJXPCROKMMO-UHFFFAOYSA-N 0 0 170.252 2.520 10 0 AFAERN CC(C)=CCCOC(=O)[C@H]1C[C@H]1C 849633340 583181881 /nfs/dbraw/zinc/18/18/81/583181881.db2.gz FKFOMNWGQOESRS-ZJUUUORDSA-N 0 0 182.263 2.542 10 0 AFAERN CC(C)=CCCOC(=O)c1ccoc1 849666137 583182007 /nfs/dbraw/zinc/18/20/07/583182007.db2.gz FKJCAEVBXRDJPB-UHFFFAOYSA-N 0 0 194.230 2.793 10 0 AFAERN C/C=C(\C)C(=O)OCCC=C(C)C 849739074 583182032 /nfs/dbraw/zinc/18/20/32/583182032.db2.gz IFZYMZKVCMDBMS-BJMVGYQFSA-N 0 0 182.263 2.852 10 0 AFAERN C/C=C(/C)C(=O)OCCC=C(C)C 849739075 583182113 /nfs/dbraw/zinc/18/21/13/583182113.db2.gz IFZYMZKVCMDBMS-YHYXMXQVSA-N 0 0 182.263 2.852 10 0 AFAERN CC(C)=C(C)C(=O)O[C@@H](C)C(C)C 849739267 583182120 /nfs/dbraw/zinc/18/21/20/583182120.db2.gz MWIRFYUATFAOBL-JTQLQIEISA-N 0 0 184.279 2.930 10 0 AFAERN O=C(CC1CC1)OCCCC1CCC1 849682138 583182180 /nfs/dbraw/zinc/18/21/80/583182180.db2.gz GCTPOVHUCWUCTJ-UHFFFAOYSA-N 0 0 196.290 2.910 10 0 AFAERN CC(C)=CCCOC(=O)C=C1CCC1 849740717 583182234 /nfs/dbraw/zinc/18/22/34/583182234.db2.gz ANBXZVUMIGHTQL-UHFFFAOYSA-N 0 0 194.274 2.996 10 0 AFAERN CC(C)=C(C)C(=O)O[C@H](C)C(C)C 849739268 583182347 /nfs/dbraw/zinc/18/23/47/583182347.db2.gz MWIRFYUATFAOBL-SNVBAGLBSA-N 0 0 184.279 2.930 10 0 AFAERN CC(C)COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 849859255 583182861 /nfs/dbraw/zinc/18/28/61/583182861.db2.gz MXUARTXBTAXERT-MXWKQRLJSA-N 0 0 196.290 2.622 10 0 AFAERN CC(=O)O[C@H](C)S[C@@H](C)C(C)C 849884826 583182871 /nfs/dbraw/zinc/18/28/71/583182871.db2.gz GVQQYTCOCONLSI-CBAPKCEASA-N 0 0 190.308 2.673 10 0 AFAERN CC(=O)O[C@@H](C)Sc1ccccc1 849855782 583182942 /nfs/dbraw/zinc/18/29/42/583182942.db2.gz DQSXKXMQGDNUJB-SECBINFHSA-N 0 0 196.271 2.688 10 0 AFAERN CC(C)COC(=O)[C@@H]1CCC[C@H]2C[C@H]21 849859254 583183049 /nfs/dbraw/zinc/18/30/49/583183049.db2.gz MXUARTXBTAXERT-HBNTYKKESA-N 0 0 196.290 2.622 10 0 AFAERN CC(=O)O[C@@H](C)S[C@@H](C)C(C)C 849884827 583183082 /nfs/dbraw/zinc/18/30/82/583183082.db2.gz GVQQYTCOCONLSI-IONNQARKSA-N 0 0 190.308 2.673 10 0 AFAERN CC(=O)O[C@H](C)S[C@H](C)C(C)C 849884825 583183224 /nfs/dbraw/zinc/18/32/24/583183224.db2.gz GVQQYTCOCONLSI-APPZFPTMSA-N 0 0 190.308 2.673 10 0 AFAERN CC(=O)O[C@H](C)Sc1ccccc1 849855783 583183355 /nfs/dbraw/zinc/18/33/55/583183355.db2.gz DQSXKXMQGDNUJB-VIFPVBQESA-N 0 0 196.271 2.688 10 0 AFAERN CC(=O)O[C@@H](C)S[C@H](C)C(C)C 849884828 583183376 /nfs/dbraw/zinc/18/33/76/583183376.db2.gz GVQQYTCOCONLSI-VXNVDRBHSA-N 0 0 190.308 2.673 10 0 AFAERN C/C=C\COC(=O)[C@H]1CCC1(C)C 850067413 583183488 /nfs/dbraw/zinc/18/34/88/583183488.db2.gz HIELZBJTHGICRB-XRVBUDJMSA-N 0 0 182.263 2.542 10 0 AFAERN C/C=C\COC(=O)[C@@H]1CCC1(C)C 850067411 583183583 /nfs/dbraw/zinc/18/35/83/583183583.db2.gz HIELZBJTHGICRB-WBSSQXGSSA-N 0 0 182.263 2.542 10 0 AFAERN C/C=C/COC(=O)[C@@H]1CCC1(C)C 850067410 583183903 /nfs/dbraw/zinc/18/39/03/583183903.db2.gz HIELZBJTHGICRB-MOVJSRMASA-N 0 0 182.263 2.542 10 0 AFAERN CCCCOC(=O)[C@H]1CCC1(C)C 850067202 583183933 /nfs/dbraw/zinc/18/39/33/583183933.db2.gz BLEGJQBINWGRPU-SECBINFHSA-N 0 0 184.279 2.766 10 0 AFAERN CCCCOC(=O)[C@@H]1CCC1(C)C 850067203 583184009 /nfs/dbraw/zinc/18/40/09/583184009.db2.gz BLEGJQBINWGRPU-VIFPVBQESA-N 0 0 184.279 2.766 10 0 AFAERN C/C=C/COC(=O)[C@H]1CCC1(C)C 850067412 583184038 /nfs/dbraw/zinc/18/40/38/583184038.db2.gz HIELZBJTHGICRB-XNPJLODASA-N 0 0 182.263 2.542 10 0 AFAERN CC[C@H](C)COC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850262998 583184460 /nfs/dbraw/zinc/18/44/60/583184460.db2.gz FFQBESIFUZKEMF-UKKRHICBSA-N 0 0 196.290 2.622 10 0 AFAERN CC[C@@H](C)COC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850262999 583184565 /nfs/dbraw/zinc/18/45/65/583184565.db2.gz FFQBESIFUZKEMF-ZNSHCXBVSA-N 0 0 196.290 2.622 10 0 AFAERN CCCCCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850264226 583184752 /nfs/dbraw/zinc/18/47/52/583184752.db2.gz WZGPZPBVCQBCPV-URLYPYJESA-N 0 0 196.290 2.766 10 0 AFAERN CCC(CC)OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850263196 583184819 /nfs/dbraw/zinc/18/48/19/583184819.db2.gz HGOQNKDFACWKDG-MYJAWHEDSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)=CCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850264897 583184832 /nfs/dbraw/zinc/18/48/32/583184832.db2.gz SYIKABGQECDJFY-URLYPYJESA-N 0 0 194.274 2.542 10 0 AFAERN CC(C)CCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850262527 583184944 /nfs/dbraw/zinc/18/49/44/583184944.db2.gz DLXVNNRIQHQAJY-URLYPYJESA-N 0 0 196.290 2.622 10 0 AFAERN O=C(OC1CCCC1)[C@@H]1C[C@@H]2C[C@@H]2C1 850263668 583184957 /nfs/dbraw/zinc/18/49/57/583184957.db2.gz MLRDKFWZMNLZML-MYJAWHEDSA-N 0 0 194.274 2.518 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)[C@@H]1CCC1(C)C 850794493 583186818 /nfs/dbraw/zinc/18/68/18/583186818.db2.gz MZKNCPWAIDKJNR-UTLUCORTSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H](OC(=O)[C@@H]1CCC1(C)C)C1CC1 850792004 583186957 /nfs/dbraw/zinc/18/69/57/583186957.db2.gz ZCICZVLOZSKMHJ-SCZZXKLOSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)[C@H]1CCC1(C)C 850794492 583186966 /nfs/dbraw/zinc/18/69/66/583186966.db2.gz MZKNCPWAIDKJNR-OPRDCNLKSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H](OC(=O)[C@H]1CCC1(C)C)C1CC1 850792003 583186975 /nfs/dbraw/zinc/18/69/75/583186975.db2.gz ZCICZVLOZSKMHJ-PSASIEDQSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@H](OC(=O)[C@H]1CCC1(C)C)C1CC1 850792005 583187054 /nfs/dbraw/zinc/18/70/54/583187054.db2.gz ZCICZVLOZSKMHJ-WCBMZHEXSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@H](OC(=O)[C@@H]1CCC1(C)C)C1CC1 850792006 583187133 /nfs/dbraw/zinc/18/71/33/583187133.db2.gz ZCICZVLOZSKMHJ-WPRPVWTQSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@@H]1C[C@H]1COC(=O)[C@H]1CCC1(C)C 850794491 583187135 /nfs/dbraw/zinc/18/71/35/583187135.db2.gz MZKNCPWAIDKJNR-KXUCPTDWSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@@H]1C[C@@H]1COC(=O)[C@@H]1CCC1(C)C 850794490 583187203 /nfs/dbraw/zinc/18/72/03/583187203.db2.gz MZKNCPWAIDKJNR-BBBLOLIVSA-N 0 0 196.290 2.622 10 0 AFAERN C[C@H](OC(=O)C1CC2(CC2)C1)C1CC1 850791302 583187246 /nfs/dbraw/zinc/18/72/46/583187246.db2.gz SEJFHCNHCORSLD-QMMMGPOBSA-N 0 0 194.274 2.518 10 0 AFAERN CC(C)CC(=O)OC[C@H]1C[C@@H]2C[C@@H]2C1 851229263 583188173 /nfs/dbraw/zinc/18/81/73/583188173.db2.gz CZBNIVCFSUOANX-JGPRNRPPSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)=CC(=O)OC[C@H]1C[C@@H]2C[C@@H]2C1 851232279 583188175 /nfs/dbraw/zinc/18/81/75/583188175.db2.gz YULIEHBJRUERRG-JGPRNRPPSA-N 0 0 194.274 2.542 10 0 AFAERN CC[C@@H](C)C(=O)OC[C@H]1C[C@@H]2C[C@@H]2C1 851228626 583188208 /nfs/dbraw/zinc/18/82/08/583188208.db2.gz FIMZKAQCLKQNCK-CHWFTXMASA-N 0 0 196.290 2.622 10 0 AFAERN C/C=C(\C)C(=O)OCC1C[C@@H]2C[C@@H]2C1 851227885 583188216 /nfs/dbraw/zinc/18/82/16/583188216.db2.gz MMLJRJRQFQKLJI-UWVIMBBBSA-N 0 0 194.274 2.542 10 0 AFAERN CCCCC(=O)OC[C@H]1C[C@@H]2C[C@@H]2C1 851231532 583188243 /nfs/dbraw/zinc/18/82/43/583188243.db2.gz UUMZHHUPTFSTMJ-JGPRNRPPSA-N 0 0 196.290 2.766 10 0 AFAERN CC[C@H](C)C(=O)OC[C@H]1C[C@@H]2C[C@@H]2C1 851228629 583188297 /nfs/dbraw/zinc/18/82/97/583188297.db2.gz FIMZKAQCLKQNCK-MMWGEVLESA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)(C)C(=O)OC[C@H]1C[C@@H]2C[C@@H]2C1 851228998 583188341 /nfs/dbraw/zinc/18/83/41/583188341.db2.gz HQSIKVIUEINJPY-ILWJIGKKSA-N 0 0 196.290 2.622 10 0 AFAERN C/C=C(/C)C(=O)OCC1C[C@@H]2C[C@@H]2C1 851227883 583188410 /nfs/dbraw/zinc/18/84/10/583188410.db2.gz MMLJRJRQFQKLJI-CVGZWIFCSA-N 0 0 194.274 2.542 10 0 AFAERN CON(C)C[C@@H]1CCCCC1(C)C 851722126 583190099 /nfs/dbraw/zinc/19/00/99/583190099.db2.gz KHUJJVVJWXUCNB-JTQLQIEISA-N 0 0 185.311 2.696 10 0 AFAERN CON(C)C[C@H]1CCCCC1(C)C 851722136 583190237 /nfs/dbraw/zinc/19/02/37/583190237.db2.gz KHUJJVVJWXUCNB-SNVBAGLBSA-N 0 0 185.311 2.696 10 0 AFAERN C[C@@H]1C[C@@H](C)N1CC=C(Cl)Cl 851997466 583202098 /nfs/dbraw/zinc/20/20/98/583202098.db2.gz LHBUDRUPSZRJSX-RNFRBKRXSA-N 0 0 194.105 2.788 10 0 AFAERN C[C@@H]1CN(CC=C(Cl)Cl)[C@@H]1C 852091295 583204308 /nfs/dbraw/zinc/20/43/08/583204308.db2.gz GRERHFOYQYAHPU-RNFRBKRXSA-N 0 0 194.105 2.646 10 0 AFAERN C[C@H]1C[C@@H](C)N1CC=C(Cl)Cl 851997465 583202685 /nfs/dbraw/zinc/20/26/85/583202685.db2.gz LHBUDRUPSZRJSX-KNVOCYPGSA-N 0 0 194.105 2.788 10 0 AFAERN C[C@H]1C[C@H](C)N1CC=C(Cl)Cl 851997464 583202907 /nfs/dbraw/zinc/20/29/07/583202907.db2.gz LHBUDRUPSZRJSX-BQBZGAKWSA-N 0 0 194.105 2.788 10 0 AFAERN C[C@H]1CN(CC=C(Cl)Cl)[C@@H]1C 852091294 583203550 /nfs/dbraw/zinc/20/35/50/583203550.db2.gz GRERHFOYQYAHPU-NKWVEPMBSA-N 0 0 194.105 2.646 10 0 AFAERN C[C@H]1CN(CC=C(Cl)Cl)[C@H]1C 852091293 583203553 /nfs/dbraw/zinc/20/35/53/583203553.db2.gz GRERHFOYQYAHPU-BQBZGAKWSA-N 0 0 194.105 2.646 10 0 AFAERN CON(CC(C)(C)C)[C@@H](C)C(C)C 852041560 583203920 /nfs/dbraw/zinc/20/39/20/583203920.db2.gz WCBZGPGPRWZXDQ-JTQLQIEISA-N 0 0 187.327 2.940 10 0 AFAERN CON(CC(C)(C)C)[C@H](C)C(C)C 852041561 583204043 /nfs/dbraw/zinc/20/40/43/583204043.db2.gz WCBZGPGPRWZXDQ-SNVBAGLBSA-N 0 0 187.327 2.940 10 0 AFAERN C[C@H]1[C@H](C)CN1CC=C(Cl)Cl 852091296 583204110 /nfs/dbraw/zinc/20/41/10/583204110.db2.gz GRERHFOYQYAHPU-RQJHMYQMSA-N 0 0 194.105 2.646 10 0 AFAERN CC(=O)OC[C@@H]1CCCCC1(C)C 853159357 583216101 /nfs/dbraw/zinc/21/61/01/583216101.db2.gz FGBZRCBYQKLEKL-JTQLQIEISA-N 0 0 184.279 2.766 10 0 AFAERN CC(=O)OC[C@H]1CCCCC1(C)C 853159358 583216158 /nfs/dbraw/zinc/21/61/58/583216158.db2.gz FGBZRCBYQKLEKL-SNVBAGLBSA-N 0 0 184.279 2.766 10 0 AFAERN CC(C)[C@H](C)ON=C(N)C1CCCC1 853655025 583227366 /nfs/dbraw/zinc/22/73/66/583227366.db2.gz QBCXCGFRQIWLPD-VIFPVBQESA-N 0 0 198.310 2.720 10 0 AFAERN CC(C)[C@@H](C)ON=C(N)C1CCCC1 853655022 583227583 /nfs/dbraw/zinc/22/75/83/583227583.db2.gz QBCXCGFRQIWLPD-SECBINFHSA-N 0 0 198.310 2.720 10 0 AFAERN CCC(CC)CON=C(N)[C@H]1C[C@@H]1C 853731735 583229311 /nfs/dbraw/zinc/22/93/11/583229311.db2.gz QJLBQBUJAFXFQO-WPRPVWTQSA-N 0 0 198.310 2.577 10 0 AFAERN CCC(CC)CON=C(N)[C@H]1C[C@H]1C 853731732 583229494 /nfs/dbraw/zinc/22/94/94/583229494.db2.gz QJLBQBUJAFXFQO-SCZZXKLOSA-N 0 0 198.310 2.577 10 0 AFAERN CCC(CC)CON=C(N)[C@@H]1C[C@@H]1C 853731734 583229962 /nfs/dbraw/zinc/22/99/62/583229962.db2.gz QJLBQBUJAFXFQO-WCBMZHEXSA-N 0 0 198.310 2.577 10 0 AFAERN CCC(CC)CON=C(N)[C@@H]1C[C@H]1C 853731731 583230761 /nfs/dbraw/zinc/23/07/61/583230761.db2.gz QJLBQBUJAFXFQO-PSASIEDQSA-N 0 0 198.310 2.577 10 0 AFAERN OC1(CCSCC2CC=CC2)CC1 853772333 583232578 /nfs/dbraw/zinc/23/25/78/583232578.db2.gz NQLFTMGYXMIFMQ-UHFFFAOYSA-N 0 0 198.331 2.601 10 0 AFAERN CCc1nsc(-c2coc(C)c2)n1 854200530 583234733 /nfs/dbraw/zinc/23/47/33/583234733.db2.gz QZERWHRQWVOWGU-UHFFFAOYSA-N 0 0 194.259 2.669 10 0 AFAERN Cc1cc(-c2c(C)n[nH]c2C)co1 854199913 583234985 /nfs/dbraw/zinc/23/49/85/583234985.db2.gz IMWMDAVXDDEHMT-UHFFFAOYSA-N 0 0 176.219 2.595 10 0 AFAERN CC[C@@H](C)N(CC)C(=O)[C@@H]1CC1(C)C 855144686 583244885 /nfs/dbraw/zinc/24/48/85/583244885.db2.gz HGAHEVLMSBXAIL-ZJUUUORDSA-N 0 0 197.322 2.680 10 0 AFAERN CC[C@H](C)N(CC)C(=O)[C@@H]1CC1(C)C 855144685 583244943 /nfs/dbraw/zinc/24/49/43/583244943.db2.gz HGAHEVLMSBXAIL-UWVGGRQHSA-N 0 0 197.322 2.680 10 0 AFAERN C/C=C/C=C\C(=O)N(CC)[C@@H](C)CC 855148503 583245465 /nfs/dbraw/zinc/24/54/65/583245465.db2.gz FWVMALQOJHJBEM-DLZRTHLMSA-N 0 0 195.306 2.766 10 0 AFAERN CC[C@H](C)N(CC)C(=O)C(C)=C(C)C 855148320 583245711 /nfs/dbraw/zinc/24/57/11/583245711.db2.gz BBNLVMJYTQNXOC-JTQLQIEISA-N 0 0 197.322 2.990 10 0 AFAERN C/C=C/C=C\C(=O)N(CC)[C@H](C)CC 855148506 583245819 /nfs/dbraw/zinc/24/58/19/583245819.db2.gz FWVMALQOJHJBEM-XQSGNWGQSA-N 0 0 195.306 2.766 10 0 AFAERN CCCOC(=O)CCCC(C)C 113180099 583246009 /nfs/dbraw/zinc/24/60/09/583246009.db2.gz WLZFYJAHSFCMSR-UHFFFAOYSA-N 0 0 172.268 2.766 10 0 AFAERN C/C=C/C=C/C(=O)N(CC)[C@@H](C)CC 855148505 583246345 /nfs/dbraw/zinc/24/63/45/583246345.db2.gz FWVMALQOJHJBEM-PENKTWPPSA-N 0 0 195.306 2.766 10 0 AFAERN C/C=C/C=C/C(=O)N(CC)[C@H](C)CC 855148504 583246372 /nfs/dbraw/zinc/24/63/72/583246372.db2.gz FWVMALQOJHJBEM-IMGCXUDSSA-N 0 0 195.306 2.766 10 0 AFAERN CC[C@@H](C)N(CC)C(=O)C(C)=C(C)C 855148321 583246381 /nfs/dbraw/zinc/24/63/81/583246381.db2.gz BBNLVMJYTQNXOC-SNVBAGLBSA-N 0 0 197.322 2.990 10 0 AFAERN CC[C@H](C)CCNC(=O)/C=C\C1CC1 855387120 583246732 /nfs/dbraw/zinc/24/67/32/583246732.db2.gz BTKKKSJBJBFVGO-GFVADAIESA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C(\C)C(=O)N[C@@H](C)C(C)(C)CC 855368503 583246826 /nfs/dbraw/zinc/24/68/26/583246826.db2.gz PEXJIZQNSJJUGR-PCYYEKQGSA-N 0 0 197.322 2.894 10 0 AFAERN CC[C@@H](C)CCNC(=O)/C=C/C1CC1 855387124 583246954 /nfs/dbraw/zinc/24/69/54/583246954.db2.gz BTKKKSJBJBFVGO-VQCYPWCPSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C(\C)C(=O)N[C@H](C)C(C)(C)CC 855368505 583247101 /nfs/dbraw/zinc/24/71/01/583247101.db2.gz PEXJIZQNSJJUGR-TTZKWOQHSA-N 0 0 197.322 2.894 10 0 AFAERN C/C=C(/C)C(=O)N[C@@H](C)C(C)(C)CC 855368504 583247315 /nfs/dbraw/zinc/24/73/15/583247315.db2.gz PEXJIZQNSJJUGR-RNKPRXRFSA-N 0 0 197.322 2.894 10 0 AFAERN CC[C@@H](C)CCNC(=O)[C@@H]1CC1(C)C 855387070 583247323 /nfs/dbraw/zinc/24/73/23/583247323.db2.gz AZWLKBNHSIWHQX-ZJUUUORDSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@H](C)CCNC(=O)/C=C/C1CC1 855387119 583247325 /nfs/dbraw/zinc/24/73/25/583247325.db2.gz BTKKKSJBJBFVGO-FGEFZZPRSA-N 0 0 195.306 2.505 10 0 AFAERN CC[C@H](C)CCNC(=O)[C@@H]1CC1(C)C 855387069 583247336 /nfs/dbraw/zinc/24/73/36/583247336.db2.gz AZWLKBNHSIWHQX-UWVGGRQHSA-N 0 0 197.322 2.585 10 0 AFAERN CC[C@@H](C)CCNC(=O)/C=C\C1CC1 855387122 583247383 /nfs/dbraw/zinc/24/73/83/583247383.db2.gz BTKKKSJBJBFVGO-JYESYGNLSA-N 0 0 195.306 2.505 10 0 AFAERN C/C=C(/C)C(=O)N[C@H](C)C(C)(C)CC 855368506 583247522 /nfs/dbraw/zinc/24/75/22/583247522.db2.gz PEXJIZQNSJJUGR-UJICNMFASA-N 0 0 197.322 2.894 10 0 AFAERN CC/C(C)=C/C(=O)NCC[C@@H](C)CC 855389392 583248063 /nfs/dbraw/zinc/24/80/63/583248063.db2.gz CHLIDOBKWPBYNL-SPQRFVMMSA-N 0 0 197.322 2.895 10 0 AFAERN CC/C(C)=C\C(=O)NCC[C@@H](C)CC 855389391 583248372 /nfs/dbraw/zinc/24/83/72/583248372.db2.gz CHLIDOBKWPBYNL-RGAIUGGKSA-N 0 0 197.322 2.895 10 0 AFAERN CC/C(C)=C\C(=O)NCC[C@H](C)CC 855389390 583248406 /nfs/dbraw/zinc/24/84/06/583248406.db2.gz CHLIDOBKWPBYNL-QLWWJYNRSA-N 0 0 197.322 2.895 10 0 AFAERN CC/C(C)=C/C(=O)NCC[C@H](C)CC 855389389 583248428 /nfs/dbraw/zinc/24/84/28/583248428.db2.gz CHLIDOBKWPBYNL-OYVNLZQHSA-N 0 0 197.322 2.895 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N[C@@H]1C=CCC1 855431130 583250895 /nfs/dbraw/zinc/25/08/95/583250895.db2.gz RZDQXJFDSBQDON-GHMZBOCLSA-N 0 0 195.306 2.503 10 0 AFAERN CC(C)C[C@H](C)C(=O)N[C@@H]1C=CCC1 855431133 583251018 /nfs/dbraw/zinc/25/10/18/583251018.db2.gz RZDQXJFDSBQDON-WDEREUQCSA-N 0 0 195.306 2.503 10 0 AFAERN CC(C)C[C@H](C)C(=O)N[C@H]1C=CCC1 855431132 583251036 /nfs/dbraw/zinc/25/10/36/583251036.db2.gz RZDQXJFDSBQDON-QWRGUYRKSA-N 0 0 195.306 2.503 10 0 AFAERN CC(C)CCCC(=O)N[C@H]1C=CCC1 855432735 583251051 /nfs/dbraw/zinc/25/10/51/583251051.db2.gz AKMNFBYOMBFBIH-NSHDSACASA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)CCCC(=O)N[C@@H]1C=CCC1 855432734 583251108 /nfs/dbraw/zinc/25/11/08/583251108.db2.gz AKMNFBYOMBFBIH-LLVKDONJSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)C[C@@H](C)C(=O)N[C@H]1C=CCC1 855431131 583251164 /nfs/dbraw/zinc/25/11/64/583251164.db2.gz RZDQXJFDSBQDON-MNOVXSKESA-N 0 0 195.306 2.503 10 0 AFAERN C/C=C(/C)C(=O)N[C@@](C)(CC)C1CC1 855881278 583252642 /nfs/dbraw/zinc/25/26/42/583252642.db2.gz XNWILNAZBQWZRC-LRAPTIAOSA-N 0 0 195.306 2.648 10 0 AFAERN C/C=C(\C)C(=O)N[C@@](C)(CC)C1CC1 855881277 583252955 /nfs/dbraw/zinc/25/29/55/583252955.db2.gz XNWILNAZBQWZRC-LHXVZLOVSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C\C(=O)N[C@@H](CC)C1CC1 855855795 583252972 /nfs/dbraw/zinc/25/29/72/583252972.db2.gz GKARGTQNJCZYMD-IQQGHNRFSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C\C(=O)N[C@H](CC)C1CC1 855855796 583253108 /nfs/dbraw/zinc/25/31/08/583253108.db2.gz GKARGTQNJCZYMD-TYBABMIJSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C/C(=O)N[C@@H](CC)C1CC1 855855794 583253172 /nfs/dbraw/zinc/25/31/72/583253172.db2.gz GKARGTQNJCZYMD-FBOQAHMBSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C/C(=O)N[C@H](CC)C1CC1 855855793 583253177 /nfs/dbraw/zinc/25/31/77/583253177.db2.gz GKARGTQNJCZYMD-ANYFNZRUSA-N 0 0 195.306 2.648 10 0 AFAERN C/C=C(/C)C(=O)N[C@](C)(CC)C1CC1 855881276 583253181 /nfs/dbraw/zinc/25/31/81/583253181.db2.gz XNWILNAZBQWZRC-DJTUGOFGSA-N 0 0 195.306 2.648 10 0 AFAERN C/C=C(\C)C(=O)N[C@](C)(CC)C1CC1 855881275 583253236 /nfs/dbraw/zinc/25/32/36/583253236.db2.gz XNWILNAZBQWZRC-BIPYJSMBSA-N 0 0 195.306 2.648 10 0 AFAERN COC(=O)NC[C@H](C)C1CCCCC1 856225273 583255134 /nfs/dbraw/zinc/25/51/34/583255134.db2.gz SUHGXOCLKMUHES-VIFPVBQESA-N 0 0 199.294 2.559 10 0 AFAERN COC(=O)NC[C@@H](C)C1CCCCC1 856225272 583255267 /nfs/dbraw/zinc/25/52/67/583255267.db2.gz SUHGXOCLKMUHES-SECBINFHSA-N 0 0 199.294 2.559 10 0 AFAERN CC/C=C(/C)C(=O)NC1CC(C)(C)C1 856338520 583256183 /nfs/dbraw/zinc/25/61/83/583256183.db2.gz YQBSFPHMUYVVEE-TWGQIWQCSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C=C(\C)C(=O)NC1CC(C)(C)C1 856338519 583256244 /nfs/dbraw/zinc/25/62/44/583256244.db2.gz YQBSFPHMUYVVEE-RMKNXTFCSA-N 0 0 195.306 2.648 10 0 AFAERN CC(C)=C(C)C(=O)NC1CC(C)(C)C1 856337521 583256308 /nfs/dbraw/zinc/25/63/08/583256308.db2.gz QZFCFWPIIMRRDN-UHFFFAOYSA-N 0 0 195.306 2.648 10 0 AFAERN CCC/C=C\C(=O)NC1CC(C)(C)C1 856336555 583256519 /nfs/dbraw/zinc/25/65/19/583256519.db2.gz VAQRYTSAZMJXGK-SREVYHEPSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C\C(=O)NC1CC(C)(C)C1 856336212 583256645 /nfs/dbraw/zinc/25/66/45/583256645.db2.gz OIWQOTQFZDKFMA-TWGQIWQCSA-N 0 0 195.306 2.648 10 0 AFAERN C/C=C(/CC)C(=O)NC1CC(C)(C)C1 856337078 583256705 /nfs/dbraw/zinc/25/67/05/583256705.db2.gz FTHVJQJYCKRCLU-UITAMQMPSA-N 0 0 195.306 2.648 10 0 AFAERN CC/C(C)=C/C(=O)NC1CC(C)(C)C1 856336211 583256742 /nfs/dbraw/zinc/25/67/42/583256742.db2.gz OIWQOTQFZDKFMA-RMKNXTFCSA-N 0 0 195.306 2.648 10 0 AFAERN CCC/C=C/C(=O)NC1CC(C)(C)C1 856336556 583256867 /nfs/dbraw/zinc/25/68/67/583256867.db2.gz VAQRYTSAZMJXGK-VOTSOKGWSA-N 0 0 195.306 2.648 10 0 AFAERN C/C=C(\CC)C(=O)NC1CC(C)(C)C1 856337079 583256873 /nfs/dbraw/zinc/25/68/73/583256873.db2.gz FTHVJQJYCKRCLU-WEVVVXLNSA-N 0 0 195.306 2.648 10 0 AFAERN CC1(CNc2ccnc(F)c2F)CC1 857226255 583261883 /nfs/dbraw/zinc/26/18/83/583261883.db2.gz JENGATNDFGJZIE-UHFFFAOYSA-N 0 0 198.216 2.572 10 0 AFAERN Nc1cc(-c2ccoc2)ccc1F 115038283 583263159 /nfs/dbraw/zinc/26/31/59/583263159.db2.gz CEQIEKUOPNCVST-UHFFFAOYSA-N 0 0 177.178 2.668 10 0 AFAERN CC(F)(F)CCOC(=O)C(C)(C)C 200159351 583269529 /nfs/dbraw/zinc/26/95/29/583269529.db2.gz WPHGFASVVNTLNP-UHFFFAOYSA-N 0 0 194.221 2.621 10 0 AFAERN CCCCc1ccc(O)c(C(C)=O)c1 116117664 583270770 /nfs/dbraw/zinc/27/07/70/583270770.db2.gz NKORCMCSGJVRAI-UHFFFAOYSA-N 0 0 192.258 2.937 10 0 AFAERN CC(C)=CCSc1nccnc1F 858518473 583270866 /nfs/dbraw/zinc/27/08/66/583270866.db2.gz IKQHNHDVKHQVAH-UHFFFAOYSA-N 0 0 198.266 2.674 10 0 AFAERN CCc1noc([C@H]2CCCC23CC3)n1 858651579 583272177 /nfs/dbraw/zinc/27/21/77/583272177.db2.gz NLUZRMDNEYGXIB-MRVPVSSYSA-N 0 0 192.262 2.680 10 0 AFAERN CCc1noc([C@@H]2CCCC23CC3)n1 858651580 583272592 /nfs/dbraw/zinc/27/25/92/583272592.db2.gz NLUZRMDNEYGXIB-QMMMGPOBSA-N 0 0 192.262 2.680 10 0 AFAERN C/C=C\CNc1ccnc(C(C)C)n1 858800490 583272999 /nfs/dbraw/zinc/27/29/99/583272999.db2.gz ONYDNHRESIYJCI-PLNGDYQASA-N 0 0 191.278 2.588 10 0 AFAERN C/C=C/CNc1ccnc(C(C)C)n1 858800494 583273578 /nfs/dbraw/zinc/27/35/78/583273578.db2.gz ONYDNHRESIYJCI-SNAWJCMRSA-N 0 0 191.278 2.588 10 0 AFAERN C/C=C/CNC(=O)O[C@@H](C)CC(C)C 859357715 583279226 /nfs/dbraw/zinc/27/92/26/583279226.db2.gz WRZBBIZUFGMDBP-PORFMDCZSA-N 0 0 199.294 2.723 10 0 AFAERN CCCOC(=O)N(C(C)C)C1CCC1 859009900 583274987 /nfs/dbraw/zinc/27/49/87/583274987.db2.gz ADTNFSULWHHCIR-UHFFFAOYSA-N 0 0 199.294 2.796 10 0 AFAERN CCC[C@@H](C)CCCN(C)OC 859069174 583275497 /nfs/dbraw/zinc/27/54/97/583275497.db2.gz DNXJREWYLDJBQB-SNVBAGLBSA-N 0 0 173.300 2.696 10 0 AFAERN C/C=C\CNC(=O)O[C@H](C)CC(C)C 859357716 583279318 /nfs/dbraw/zinc/27/93/18/583279318.db2.gz WRZBBIZUFGMDBP-WWQCOOJYSA-N 0 0 199.294 2.723 10 0 AFAERN CCC[C@H](C)CCCN(C)OC 859069166 583275974 /nfs/dbraw/zinc/27/59/74/583275974.db2.gz DNXJREWYLDJBQB-JTQLQIEISA-N 0 0 173.300 2.696 10 0 AFAERN CC(C)CCOC(=O)N1C[C@@H](C)[C@@H]1C 859170893 583276520 /nfs/dbraw/zinc/27/65/20/583276520.db2.gz CMZCLOUWPUWVNK-ZJUUUORDSA-N 0 0 199.294 2.509 10 0 AFAERN CC(C)CCOC(=O)N1C[C@@H](C)[C@H]1C 859170888 583276672 /nfs/dbraw/zinc/27/66/72/583276672.db2.gz CMZCLOUWPUWVNK-NXEZZACHSA-N 0 0 199.294 2.509 10 0 AFAERN CC[C@H]1CCN1C(=O)OCCC(C)C 859167716 583276958 /nfs/dbraw/zinc/27/69/58/583276958.db2.gz BELSTUNQXQQAFJ-JTQLQIEISA-N 0 0 199.294 2.653 10 0 AFAERN CC(C)CCOC(=O)N1C[C@H](C)[C@H]1C 859170891 583276979 /nfs/dbraw/zinc/27/69/79/583276979.db2.gz CMZCLOUWPUWVNK-VHSXEESVSA-N 0 0 199.294 2.509 10 0 AFAERN CC[C@@H]1CCN1C(=O)OCCC(C)C 859167717 583277064 /nfs/dbraw/zinc/27/70/64/583277064.db2.gz BELSTUNQXQQAFJ-SNVBAGLBSA-N 0 0 199.294 2.653 10 0 AFAERN CC(C)CCOC(=O)N1C[C@H](C)[C@@H]1C 859170890 583277135 /nfs/dbraw/zinc/27/71/35/583277135.db2.gz CMZCLOUWPUWVNK-UWVGGRQHSA-N 0 0 199.294 2.509 10 0 AFAERN CCCOC(=O)Oc1ccc(C)cc1 116627489 583277672 /nfs/dbraw/zinc/27/76/72/583277672.db2.gz DTYZEHLXVISDHX-UHFFFAOYSA-N 0 0 194.230 2.920 10 0 AFAERN CCC(=O)NC1(C)CCC(C)(C)CC1 859334758 583278054 /nfs/dbraw/zinc/27/80/54/583278054.db2.gz HQZFXYPPFYNEGI-UHFFFAOYSA-N 0 0 197.322 2.872 10 0 AFAERN CC(C)(C)OC(=O)N(C1CC1)C1CC1 859310264 583278490 /nfs/dbraw/zinc/27/84/90/583278490.db2.gz DXSCLZPOXTZYHG-UHFFFAOYSA-N 0 0 197.278 2.548 10 0 AFAERN CCC[C@H](C)CCCOC(C)=O 859449388 583279080 /nfs/dbraw/zinc/27/90/80/583279080.db2.gz BEFBACKHYHPAML-VIFPVBQESA-N 0 0 172.268 2.766 10 0 AFAERN C/C=C\CNC(=O)O[C@@H](C)CC(C)C 859357714 583279179 /nfs/dbraw/zinc/27/91/79/583279179.db2.gz WRZBBIZUFGMDBP-OMMCCPJFSA-N 0 0 199.294 2.723 10 0 AFAERN CCC[C@@H](C)CCCOC(C)=O 859449387 583279998 /nfs/dbraw/zinc/27/99/98/583279998.db2.gz BEFBACKHYHPAML-SECBINFHSA-N 0 0 172.268 2.766 10 0 AFAERN C/C=C/CNC(=O)O[C@H](C)CC(C)C 859357713 583280001 /nfs/dbraw/zinc/28/00/01/583280001.db2.gz WRZBBIZUFGMDBP-BRAIEQGRSA-N 0 0 199.294 2.723 10 0 AFAERN CC(C(=O)OC[C@@H]1C[C@@H]1C)=C1CCC1 859715062 583280182 /nfs/dbraw/zinc/28/01/82/583280182.db2.gz GXKZOYGUUHEKII-KWQFWETISA-N 0 0 194.274 2.686 10 0 AFAERN CC(C(=O)OC[C@H]1C[C@@H]1C)=C1CCC1 859715056 583280763 /nfs/dbraw/zinc/28/07/63/583280763.db2.gz GXKZOYGUUHEKII-GZMMTYOYSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C(=O)OC[C@@H]1C[C@H]1C)=C1CCC1 859715058 583280934 /nfs/dbraw/zinc/28/09/34/583280934.db2.gz GXKZOYGUUHEKII-KCJUWKMLSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C(=O)OC[C@H]1C[C@H]1C)=C1CCC1 859715064 583280977 /nfs/dbraw/zinc/28/09/77/583280977.db2.gz GXKZOYGUUHEKII-LDYMZIIASA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)OC(=O)Oc1ccccc1 117130159 583282501 /nfs/dbraw/zinc/28/25/01/583282501.db2.gz KETKOCDCPHVSEN-UHFFFAOYSA-N 0 0 180.203 2.610 10 0 AFAERN CC(C)(C)/C=C/C(=O)NC(C)(C)C 201212520 583282825 /nfs/dbraw/zinc/28/28/25/583282825.db2.gz DLZPTINIKKJUMW-BQYQJAHWSA-N 0 0 183.295 2.503 10 0 AFAERN O=C(OCC1CC1)[C@H]1CCCC12CC2 860173566 583283148 /nfs/dbraw/zinc/28/31/48/583283148.db2.gz DVOXIGVTGZDATL-SNVBAGLBSA-N 0 0 194.274 2.520 10 0 AFAERN CC(C)(C)/C=C\C(=O)NC(C)(C)C 201212635 583283394 /nfs/dbraw/zinc/28/33/94/583283394.db2.gz DLZPTINIKKJUMW-FPLPWBNLSA-N 0 0 183.295 2.503 10 0 AFAERN CC[C@@H](C)OC(=O)[C@@H]1CCCC12CC2 860174927 583283724 /nfs/dbraw/zinc/28/37/24/583283724.db2.gz RKLFGOBPFKOASR-ZJUUUORDSA-N 0 0 196.290 2.908 10 0 AFAERN C/C=C/COC(=O)[C@H]1CCCC12CC2 860173129 583283729 /nfs/dbraw/zinc/28/37/29/583283729.db2.gz CFJPOKCSLCOBPG-VMZHVLLKSA-N 0 0 194.274 2.686 10 0 AFAERN C/C=C/COC(=O)[C@@H]1CCCC12CC2 860173128 583283991 /nfs/dbraw/zinc/28/39/91/583283991.db2.gz CFJPOKCSLCOBPG-PBKGFPTLSA-N 0 0 194.274 2.686 10 0 AFAERN CC[C@H](C)OC(=O)[C@H]1CCCC12CC2 860174926 583284030 /nfs/dbraw/zinc/28/40/30/583284030.db2.gz RKLFGOBPFKOASR-VHSXEESVSA-N 0 0 196.290 2.908 10 0 AFAERN C/C=C\COC(=O)[C@H]1CCCC12CC2 860173127 583284094 /nfs/dbraw/zinc/28/40/94/583284094.db2.gz CFJPOKCSLCOBPG-MXQLGCADSA-N 0 0 194.274 2.686 10 0 AFAERN O=C(OCC1CC1)[C@@H]1CCCC12CC2 860173565 583284123 /nfs/dbraw/zinc/28/41/23/583284123.db2.gz DVOXIGVTGZDATL-JTQLQIEISA-N 0 0 194.274 2.520 10 0 AFAERN CC(C)COC(=O)[C@@H]1CCCC12CC2 860177227 583284139 /nfs/dbraw/zinc/28/41/39/583284139.db2.gz NKTACURGQCIIAQ-JTQLQIEISA-N 0 0 196.290 2.766 10 0 AFAERN CC[C@H](C)OC(=O)[C@@H]1CCCC12CC2 860174925 583284149 /nfs/dbraw/zinc/28/41/49/583284149.db2.gz RKLFGOBPFKOASR-UWVGGRQHSA-N 0 0 196.290 2.908 10 0 AFAERN C/C=C\COC(=O)[C@@H]1CCCC12CC2 860173130 583284150 /nfs/dbraw/zinc/28/41/50/583284150.db2.gz CFJPOKCSLCOBPG-ZMWSMAPVSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)COC(=O)[C@H]1CCCC12CC2 860177228 583284151 /nfs/dbraw/zinc/28/41/51/583284151.db2.gz NKTACURGQCIIAQ-SNVBAGLBSA-N 0 0 196.290 2.766 10 0 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583308184 /nfs/dbraw/zinc/30/81/84/583308184.db2.gz MHTMTSMCLFDNNT-UHFFFAOYSA-N 0 0 197.278 2.864 10 0 AFAERN Cc1ccc(OCSC(C)C)nc1 863307715 583308280 /nfs/dbraw/zinc/30/82/80/583308280.db2.gz CQOIRZXUZNHPDQ-UHFFFAOYSA-N 0 0 197.303 2.868 10 0 AFAERN CC(C)SCSc1ncco1 863325857 583308355 /nfs/dbraw/zinc/30/83/55/583308355.db2.gz HEXXBKDFNADUGU-UHFFFAOYSA-N 0 0 189.305 2.866 10 0 AFAERN CCCOCSCCSCC 863320584 583308417 /nfs/dbraw/zinc/30/84/17/583308417.db2.gz CBWMXORIMNGLBX-UHFFFAOYSA-N 0 0 194.365 2.857 10 0 AFAERN CSCSCc1ccccn1 863357087 583308769 /nfs/dbraw/zinc/30/87/69/583308769.db2.gz UOCMITMAMLRFAI-UHFFFAOYSA-N 0 0 185.317 2.635 10 0 AFAERN C/C=C\CSCc1ncc(C)o1 863393336 583308795 /nfs/dbraw/zinc/30/87/95/583308795.db2.gz BYPYIQVTFPAUMS-ARJAWSKDSA-N 0 0 183.276 2.792 10 0 AFAERN CSCS[C@H]1COC(C)(C)C1 863354525 583308844 /nfs/dbraw/zinc/30/88/44/583308844.db2.gz YHCGLLNOSGHJFX-SSDOTTSWSA-N 0 0 192.349 2.608 10 0 AFAERN CC(=O)CCSC[C@H]1C[C@@H]2C[C@@H]2C1 863354143 583308936 /nfs/dbraw/zinc/30/89/36/583308936.db2.gz BHFVCPVUZXTKKP-JGPRNRPPSA-N 0 0 198.331 2.745 10 0 AFAERN CCCSCc1ccnc(F)c1 863393221 583309155 /nfs/dbraw/zinc/30/91/55/583309155.db2.gz XMYBKEGJPDPUCR-UHFFFAOYSA-N 0 0 185.267 2.864 10 0 AFAERN C/C=C/CSCc1ncc(C)o1 863393337 583309202 /nfs/dbraw/zinc/30/92/02/583309202.db2.gz BYPYIQVTFPAUMS-ONEGZZNKSA-N 0 0 183.276 2.792 10 0 AFAERN CC(C)SCc1ccnc(F)c1 863393296 583309236 /nfs/dbraw/zinc/30/92/36/583309236.db2.gz AJWJXACHODXUGY-UHFFFAOYSA-N 0 0 185.267 2.862 10 0 AFAERN CCCOCSCc1ccccn1 863355697 583309247 /nfs/dbraw/zinc/30/92/47/583309247.db2.gz VUQPSDSETCAFEL-UHFFFAOYSA-N 0 0 197.303 2.699 10 0 AFAERN CSCS[C@@H]1COC(C)(C)C1 863354526 583309255 /nfs/dbraw/zinc/30/92/55/583309255.db2.gz YHCGLLNOSGHJFX-ZETCQYMHSA-N 0 0 192.349 2.608 10 0 AFAERN CSCCSC[C@@H]1C[C@@H]1C 863400157 583309598 /nfs/dbraw/zinc/30/95/98/583309598.db2.gz BNORVLVJSLVBER-YUMQZZPRSA-N 0 0 176.350 2.739 10 0 AFAERN CSCCSC[C@H]1C[C@H]1C 863400154 583309619 /nfs/dbraw/zinc/30/96/19/583309619.db2.gz BNORVLVJSLVBER-HTQZYQBOSA-N 0 0 176.350 2.739 10 0 AFAERN Cc1cnc(CSCCCF)o1 863394671 583309817 /nfs/dbraw/zinc/30/98/17/583309817.db2.gz NLZSNKVZJSSPTR-UHFFFAOYSA-N 0 0 189.255 2.576 10 0 AFAERN CSCCSC[C@@H]1C[C@H]1C 863400156 583309951 /nfs/dbraw/zinc/30/99/51/583309951.db2.gz BNORVLVJSLVBER-SFYZADRCSA-N 0 0 176.350 2.739 10 0 AFAERN CC(C)CCC(N)=NOC[C@@H]1C[C@@H]1C 863456161 583309996 /nfs/dbraw/zinc/30/99/96/583309996.db2.gz ISLIWFODPQFVQI-UWVGGRQHSA-N 0 0 198.310 2.577 10 0 AFAERN CC(C)CCC(N)=NOC[C@H]1C[C@H]1C 863456160 583310016 /nfs/dbraw/zinc/31/00/16/583310016.db2.gz ISLIWFODPQFVQI-NXEZZACHSA-N 0 0 198.310 2.577 10 0 AFAERN CSCCSC[C@H]1C[C@@H]1C 863400155 583310027 /nfs/dbraw/zinc/31/00/27/583310027.db2.gz BNORVLVJSLVBER-JGVFFNPUSA-N 0 0 176.350 2.739 10 0 AFAERN CC(C)CCC(N)=NOC[C@@H]1C[C@H]1C 863456163 583310230 /nfs/dbraw/zinc/31/02/30/583310230.db2.gz ISLIWFODPQFVQI-ZJUUUORDSA-N 0 0 198.310 2.577 10 0 AFAERN CC(C)CCC(N)=NOC[C@H]1C[C@@H]1C 863456162 583310266 /nfs/dbraw/zinc/31/02/66/583310266.db2.gz ISLIWFODPQFVQI-VHSXEESVSA-N 0 0 198.310 2.577 10 0 AFAERN C/C=C\COC(=O)c1ccccc1F 204066530 583312135 /nfs/dbraw/zinc/31/21/35/583312135.db2.gz CBOQCYRKKGJCJJ-IHWYPQMZSA-N 0 0 194.205 2.559 10 0 AFAERN c1cc(-c2cnc(C3CC3)o2)sn1 863729885 583313246 /nfs/dbraw/zinc/31/32/46/583313246.db2.gz QYADBHGKIXXVIA-UHFFFAOYSA-N 0 0 192.243 2.676 10 0 AFAERN CCC[N@H+](C)[C@@H](C)c1ccc(F)nc1 863950300 583313735 /nfs/dbraw/zinc/31/37/35/583313735.db2.gz KBWFEDYTPRCFED-VIFPVBQESA-N 0 0 196.269 2.624 10 0 AFAERN CCC[N@H+](C)[C@H](C)c1ccc(F)nc1 863950299 583313872 /nfs/dbraw/zinc/31/38/72/583313872.db2.gz KBWFEDYTPRCFED-SECBINFHSA-N 0 0 196.269 2.624 10 0 AFAERN CC/C=C(\F)C(=O)N(C)C(C)(C)C 864057541 583314736 /nfs/dbraw/zinc/31/47/36/583314736.db2.gz LMAXLUXTNZMMMK-FPLPWBNLSA-N 0 0 187.258 2.507 10 0 AFAERN CC/C=C(\F)C(=O)N[C@]1(C)CC1(C)C 864074156 583316220 /nfs/dbraw/zinc/31/62/20/583316220.db2.gz 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/nfs/dbraw/zinc/31/68/41/583316841.db2.gz SSIURYNNVAJHNC-VQHVLOKHSA-N 0 0 187.258 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N1CCC(C)CC1 864437908 583316843 /nfs/dbraw/zinc/31/68/43/583316843.db2.gz UYMYBUSYJIHYRP-ONNFQVAWSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(\F)C(=O)N1CCC(C)CC1 864437909 583317028 /nfs/dbraw/zinc/31/70/28/583317028.db2.gz UYMYBUSYJIHYRP-WMZJFQQLSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(\F)C(=O)N1CCCC[C@@H]1C 864444828 583317554 /nfs/dbraw/zinc/31/75/54/583317554.db2.gz GWOMEDZSKAKDPT-LKJZUNMESA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(\F)C(=O)N1CCCC[C@H]1C 864444829 583317754 /nfs/dbraw/zinc/31/77/54/583317754.db2.gz GWOMEDZSKAKDPT-WPVMNKCKSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(/F)C(=O)N1CCCC[C@@H]1C 864444827 583317805 /nfs/dbraw/zinc/31/78/05/583317805.db2.gz GWOMEDZSKAKDPT-CMWXKVOJSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(/F)C(=O)N1CCCC[C@H]1C 864444830 583317846 /nfs/dbraw/zinc/31/78/46/583317846.db2.gz GWOMEDZSKAKDPT-ZFZMKPAXSA-N 0 0 199.269 2.651 10 0 AFAERN CC(=O)Nc1ccc(C2CC2)cc1F 864493162 583318776 /nfs/dbraw/zinc/31/87/76/583318776.db2.gz XKALXGFWGKZKJP-UHFFFAOYSA-N 0 0 193.221 2.662 10 0 AFAERN CC[S@@](=O)C[C@@H](C)CC(C)(C)C 864472321 583319054 /nfs/dbraw/zinc/31/90/54/583319054.db2.gz JYFUWPZLASKVHS-JOYOIKCWSA-N 0 0 190.352 2.827 10 0 AFAERN O=C(/C=C\C1CCCC1)OCC1CC1 204796404 583319097 /nfs/dbraw/zinc/31/90/97/583319097.db2.gz BDIPBDJUBCRSNC-FPLPWBNLSA-N 0 0 194.274 2.686 10 0 AFAERN CC[S@@](=O)C[C@H](C)CC(C)(C)C 864472319 583319110 /nfs/dbraw/zinc/31/91/10/583319110.db2.gz JYFUWPZLASKVHS-BXKDBHETSA-N 0 0 190.352 2.827 10 0 AFAERN CC[S@](=O)C[C@H](C)CC(C)(C)C 864472322 583319200 /nfs/dbraw/zinc/31/92/00/583319200.db2.gz JYFUWPZLASKVHS-SKDRFNHKSA-N 0 0 190.352 2.827 10 0 AFAERN CCN(C(C)=O)c1cccc(C)c1F 864493505 583319265 /nfs/dbraw/zinc/31/92/65/583319265.db2.gz BUQXXVDXZNRXIL-UHFFFAOYSA-N 0 0 195.237 2.507 10 0 AFAERN O=C(/C=C/C1CCCC1)OCC1CC1 204796418 583319372 /nfs/dbraw/zinc/31/93/72/583319372.db2.gz BDIPBDJUBCRSNC-BQYQJAHWSA-N 0 0 194.274 2.686 10 0 AFAERN CC[S@](=O)C[C@@H](C)CC(C)(C)C 864472320 583319420 /nfs/dbraw/zinc/31/94/20/583319420.db2.gz JYFUWPZLASKVHS-CABZTGNLSA-N 0 0 190.352 2.827 10 0 AFAERN CC/C=C(\F)C(=O)N[C@@H](C)CCC 864692893 583320534 /nfs/dbraw/zinc/32/05/34/583320534.db2.gz PBNPDOUDFBBBDE-FZGDARCMSA-N 0 0 187.258 2.555 10 0 AFAERN CC/C=C(\F)C(=O)N(C)[C@H](C)C1CC1 864688432 583320573 /nfs/dbraw/zinc/32/05/73/583320573.db2.gz DESOZWVXZNIXRI-VUMIPSPVSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(/F)C(=O)N(C)C1CCCC1 864682455 583320607 /nfs/dbraw/zinc/32/06/07/583320607.db2.gz ZXQOVPKJXNODHI-UXBLZVDNSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(\F)C(=O)N(C)CCCC 864725138 583320737 /nfs/dbraw/zinc/32/07/37/583320737.db2.gz YSHNBGMSJGAHEC-CLFYSBASSA-N 0 0 187.258 2.508 10 0 AFAERN CC/C=C(/F)C(=O)N(C)[C@@H](C)C1CC1 864688429 583320917 /nfs/dbraw/zinc/32/09/17/583320917.db2.gz DESOZWVXZNIXRI-SMSHQHMSSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(/F)C(=O)N(C)CCCC 864725139 583320940 /nfs/dbraw/zinc/32/09/40/583320940.db2.gz YSHNBGMSJGAHEC-VQHVLOKHSA-N 0 0 187.258 2.508 10 0 AFAERN CC/C=C(/F)C(=O)NC(C)(C)CC 864722847 583320996 /nfs/dbraw/zinc/32/09/96/583320996.db2.gz RFHIICDEBZPIBJ-BQYQJAHWSA-N 0 0 187.258 2.555 10 0 AFAERN CC/C=C(\F)C(=O)N[C@H](C)CCC 864692897 583321012 /nfs/dbraw/zinc/32/10/12/583321012.db2.gz PBNPDOUDFBBBDE-XZZQCUQZSA-N 0 0 187.258 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N[C@H](C)CCC 864692896 583321021 /nfs/dbraw/zinc/32/10/21/583321021.db2.gz PBNPDOUDFBBBDE-KGOFQHAKSA-N 0 0 187.258 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N(C)[C@H](C)C1CC1 864688427 583321110 /nfs/dbraw/zinc/32/11/10/583321110.db2.gz DESOZWVXZNIXRI-LLIKBPFYSA-N 0 0 199.269 2.507 10 0 AFAERN CNC(=O)/C(C)=C\C1CCC(C)CC1 864732537 583321161 /nfs/dbraw/zinc/32/11/61/583321161.db2.gz HBRDHDMLFUFVAD-NTMALXAHSA-N 0 0 195.306 2.505 10 0 AFAERN CC/C=C(\F)C(=O)NC(C)(C)CC 864722848 583321211 /nfs/dbraw/zinc/32/12/11/583321211.db2.gz RFHIICDEBZPIBJ-FPLPWBNLSA-N 0 0 187.258 2.555 10 0 AFAERN CC/C=C(\F)C(=O)N(C)C1CCCC1 864682454 583321258 /nfs/dbraw/zinc/32/12/58/583321258.db2.gz ZXQOVPKJXNODHI-POHAHGRESA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(/F)C(=O)N[C@@H](C)CCC 864692894 583321286 /nfs/dbraw/zinc/32/12/86/583321286.db2.gz PBNPDOUDFBBBDE-INTFFVIUSA-N 0 0 187.258 2.555 10 0 AFAERN CC/C=C(\F)C(=O)N(C)[C@@H](C)C1CC1 864688424 583321409 /nfs/dbraw/zinc/32/14/09/583321409.db2.gz DESOZWVXZNIXRI-AMAGOZFHSA-N 0 0 199.269 2.507 10 0 AFAERN CC(C)N(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C 864777093 583321870 /nfs/dbraw/zinc/32/18/70/583321870.db2.gz FUFVPZQXTAJCLV-NXEZZACHSA-N 0 0 197.322 2.535 10 0 AFAERN CCCCCC(=O)OC1CC(C)C1 204974061 583321905 /nfs/dbraw/zinc/32/19/05/583321905.db2.gz FFRRUFCHSKBBCK-UHFFFAOYSA-N 0 0 184.279 2.908 10 0 AFAERN CC/C=C(\F)C(=O)N(CC)CCC 864810701 583321943 /nfs/dbraw/zinc/32/19/43/583321943.db2.gz FZUDYJANVVUONC-CLFYSBASSA-N 0 0 187.258 2.508 10 0 AFAERN CC/C=C(/F)C(=O)NCC1CCCC1 864825704 583322173 /nfs/dbraw/zinc/32/21/73/583322173.db2.gz 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/nfs/dbraw/zinc/32/27/62/583322762.db2.gz CAQUHRNKSKZNOD-TWGQIWQCSA-N 0 0 199.269 2.699 10 0 AFAERN CC/C=C(\F)C(=O)N(CC)C(C)C 864952014 583322850 /nfs/dbraw/zinc/32/28/50/583322850.db2.gz DSUVLYYHGMXKPB-CLFYSBASSA-N 0 0 187.258 2.507 10 0 AFAERN CC/C=C(/F)C(=O)N(C)[C@@H](C)CC 865083408 583322997 /nfs/dbraw/zinc/32/29/97/583322997.db2.gz WUVLBVHMSZQCLM-INTFFVIUSA-N 0 0 187.258 2.507 10 0 AFAERN CC/C=C(/F)C(=O)N1CCC[C@H]1CC 865140885 583323490 /nfs/dbraw/zinc/32/34/90/583323490.db2.gz KYGGZRNULVQLOK-ZFZMKPAXSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(/F)C(=O)N(CC)C(C)C 864952015 583323034 /nfs/dbraw/zinc/32/30/34/583323034.db2.gz DSUVLYYHGMXKPB-VQHVLOKHSA-N 0 0 187.258 2.507 10 0 AFAERN CC/C=C(/F)C(=O)N(C)[C@H](C)CC 865083409 583323064 /nfs/dbraw/zinc/32/30/64/583323064.db2.gz WUVLBVHMSZQCLM-KGOFQHAKSA-N 0 0 187.258 2.507 10 0 AFAERN CSC[C@H]1CCC(C)(C)CO1 865277921 583323425 /nfs/dbraw/zinc/32/34/25/583323425.db2.gz FUVGAQMIPIPXMX-MRVPVSSYSA-N 0 0 174.309 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N[C@@H]1CCC[C@H]1C 865180387 583323481 /nfs/dbraw/zinc/32/34/81/583323481.db2.gz JUFCKVWRGKONED-QCHKVSTKSA-N 0 0 199.269 2.555 10 0 AFAERN CSCc1ccc(C)c(Cl)n1 865278244 583323508 /nfs/dbraw/zinc/32/35/08/583323508.db2.gz SZTNXVXGFLGZFL-UHFFFAOYSA-N 0 0 187.695 2.906 10 0 AFAERN CC/C=C(\F)C(=O)N[C@@H]1CCC[C@@H]1C 865180386 583323510 /nfs/dbraw/zinc/32/35/10/583323510.db2.gz JUFCKVWRGKONED-FBACALJWSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N1CCC[C@@H]1CC 865140882 583323537 /nfs/dbraw/zinc/32/35/37/583323537.db2.gz KYGGZRNULVQLOK-CMWXKVOJSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(\F)C(=O)N[C@@H]1CCC[C@H]1C 865180391 583323552 /nfs/dbraw/zinc/32/35/52/583323552.db2.gz JUFCKVWRGKONED-ZOGXEDGJSA-N 0 0 199.269 2.555 10 0 AFAERN CCSC[C@@H]1CCC(C)(C)CO1 865278105 583323586 /nfs/dbraw/zinc/32/35/86/583323586.db2.gz NFIDFUHSWIBAFB-VIFPVBQESA-N 0 0 188.336 2.945 10 0 AFAERN CC/C=C(\F)C(=O)N1CCC[C@H]1CC 865140884 583323590 /nfs/dbraw/zinc/32/35/90/583323590.db2.gz KYGGZRNULVQLOK-WPVMNKCKSA-N 0 0 199.269 2.651 10 0 AFAERN CCSC[C@H]1CCC(C)(C)CO1 865278104 583323693 /nfs/dbraw/zinc/32/36/93/583323693.db2.gz NFIDFUHSWIBAFB-SECBINFHSA-N 0 0 188.336 2.945 10 0 AFAERN CC/C=C(\F)C(=O)N(CCC)C1CC1 865166069 583323802 /nfs/dbraw/zinc/32/38/02/583323802.db2.gz OBXDBBZUTNUUET-YHYXMXQVSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(\F)C(=O)N1CCCC1(C)C 865152724 583323837 /nfs/dbraw/zinc/32/38/37/583323837.db2.gz RHTZTLPJACNOBI-TWGQIWQCSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(/F)C(=O)N[C@@H]1CCC[C@@H]1C 865180389 583323912 /nfs/dbraw/zinc/32/39/12/583323912.db2.gz JUFCKVWRGKONED-UHHLUOIISA-N 0 0 199.269 2.555 10 0 AFAERN CCSCc1coc(C2CC2)n1 865278277 583323921 /nfs/dbraw/zinc/32/39/21/583323921.db2.gz UZZSSCLWUOXGEP-UHFFFAOYSA-N 0 0 183.276 2.805 10 0 AFAERN CSC[C@@H]1CCC(C)(C)CO1 865277922 583323975 /nfs/dbraw/zinc/32/39/75/583323975.db2.gz FUVGAQMIPIPXMX-QMMMGPOBSA-N 0 0 174.309 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N1CCCC1(C)C 865152722 583323979 /nfs/dbraw/zinc/32/39/79/583323979.db2.gz RHTZTLPJACNOBI-RMKNXTFCSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(/F)C(=O)N(C(C)C)C1CC1 865151120 583323983 /nfs/dbraw/zinc/32/39/83/583323983.db2.gz KJYKKLUHWXZQQE-BJMVGYQFSA-N 0 0 199.269 2.649 10 0 AFAERN CC/C=C(\F)C(=O)N1CCC[C@@H]1CC 865140883 583323990 /nfs/dbraw/zinc/32/39/90/583323990.db2.gz KYGGZRNULVQLOK-LKJZUNMESA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(/F)C(=O)N(CCC)C1CC1 865166068 583323991 /nfs/dbraw/zinc/32/39/91/583323991.db2.gz OBXDBBZUTNUUET-BJMVGYQFSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(\F)C(=O)N(C(C)C)C1CC1 865151121 583324002 /nfs/dbraw/zinc/32/40/02/583324002.db2.gz KJYKKLUHWXZQQE-YHYXMXQVSA-N 0 0 199.269 2.649 10 0 AFAERN CC/C=C(\F)C(=O)N(C)[C@H](C)CC 865083410 583324012 /nfs/dbraw/zinc/32/40/12/583324012.db2.gz WUVLBVHMSZQCLM-XZZQCUQZSA-N 0 0 187.258 2.507 10 0 AFAERN Cc1nccn1CC1CC2(CCC2)C1 865360595 583324388 /nfs/dbraw/zinc/32/43/88/583324388.db2.gz DJORBVOOECBOAP-UHFFFAOYSA-N 0 0 190.290 2.772 10 0 AFAERN CC(=O)CSCC1CC2(CCC2)C1 865358712 583324520 /nfs/dbraw/zinc/32/45/20/583324520.db2.gz KNLSLMSKXBQODI-UHFFFAOYSA-N 0 0 198.331 2.889 10 0 AFAERN CSCC1CC2(CCC2)C1 865354401 583324583 /nfs/dbraw/zinc/32/45/83/583324583.db2.gz OSLRMWMFJUCKDN-UHFFFAOYSA-N 0 0 156.294 2.930 10 0 AFAERN c1cnnc(SCCCC2CC2)c1 865364457 583324928 /nfs/dbraw/zinc/32/49/28/583324928.db2.gz OSFHYEZMODZWNX-UHFFFAOYSA-N 0 0 194.303 2.759 10 0 AFAERN CCCOc1ccc(Cl)nc1F 865395737 583325277 /nfs/dbraw/zinc/32/52/77/583325277.db2.gz KZRSIVHQHCUAGO-UHFFFAOYSA-N 0 0 189.617 2.663 10 0 AFAERN COCC(C)(C)CSC1CCC1 865369498 583325297 /nfs/dbraw/zinc/32/52/97/583325297.db2.gz YKRRLPVEZOHILA-UHFFFAOYSA-N 0 0 188.336 2.945 10 0 AFAERN CSCCn1cnc(C(C)(C)C)c1 865376183 583325598 /nfs/dbraw/zinc/32/55/98/583325598.db2.gz CULATSGJBJLNSX-UHFFFAOYSA-N 0 0 198.335 2.544 10 0 AFAERN CCCOCn1cnc(C(C)(C)C)c1 865376128 583325788 /nfs/dbraw/zinc/32/57/88/583325788.db2.gz AFYNGEDWCCLJBQ-UHFFFAOYSA-N 0 0 196.294 2.565 10 0 AFAERN COCC(C)(C)CSCC1CC1 865369003 583325793 /nfs/dbraw/zinc/32/57/93/583325793.db2.gz YWJOAYBYRBVBCU-UHFFFAOYSA-N 0 0 188.336 2.802 10 0 AFAERN CCC[C@H](O)CCCSCCF 865380877 583325798 /nfs/dbraw/zinc/32/57/98/583325798.db2.gz RHYRLCOMDQSFDY-VIFPVBQESA-N 0 0 194.315 2.630 10 0 AFAERN CC(C)(C)c1cn(CCCCF)cn1 865376209 583325819 /nfs/dbraw/zinc/32/58/19/583325819.db2.gz DNFGERSWEJKCFW-UHFFFAOYSA-N 0 0 198.285 2.930 10 0 AFAERN CCC[C@@H](O)CCCSCCF 865380874 583325826 /nfs/dbraw/zinc/32/58/26/583325826.db2.gz RHYRLCOMDQSFDY-SECBINFHSA-N 0 0 194.315 2.630 10 0 AFAERN CCOC(=O)/C=C(/C)c1ccsc1 205574824 583327101 /nfs/dbraw/zinc/32/71/01/583327101.db2.gz YRPBGRBSRNQYMT-VURMDHGXSA-N 0 0 196.271 2.715 10 0 AFAERN CCc1csc(N2[C@@H](C)C[C@H]2C)n1 865742405 583327853 /nfs/dbraw/zinc/32/78/53/583327853.db2.gz XWMSZIRIJGYVTQ-OCAPTIKFSA-N 0 0 196.319 2.693 10 0 AFAERN CCc1csc(N2[C@H](C)C[C@H]2C)n1 865742247 583327898 /nfs/dbraw/zinc/32/78/98/583327898.db2.gz XWMSZIRIJGYVTQ-HTQZYQBOSA-N 0 0 196.319 2.693 10 0 AFAERN CCc1csc(N2[C@@H](C)C[C@@H]2C)n1 865742406 583327929 /nfs/dbraw/zinc/32/79/29/583327929.db2.gz XWMSZIRIJGYVTQ-YUMQZZPRSA-N 0 0 196.319 2.693 10 0 AFAERN CCc1csc(N2C[C@H](C)[C@@H]2C)n1 865838969 583328068 /nfs/dbraw/zinc/32/80/68/583328068.db2.gz FCZJXPXTDMDUPK-YUMQZZPRSA-N 0 0 196.319 2.550 10 0 AFAERN CCc1csc(N2C[C@@H](C)[C@@H]2C)n1 865838968 583328201 /nfs/dbraw/zinc/32/82/01/583328201.db2.gz FCZJXPXTDMDUPK-SFYZADRCSA-N 0 0 196.319 2.550 10 0 AFAERN CCc1csc(N2C[C@H](C)[C@H]2C)n1 865838967 583328343 /nfs/dbraw/zinc/32/83/43/583328343.db2.gz FCZJXPXTDMDUPK-JGVFFNPUSA-N 0 0 196.319 2.550 10 0 AFAERN CC/C=C(\F)C(=O)N(CC)CC1CC1 865732124 583328402 /nfs/dbraw/zinc/32/84/02/583328402.db2.gz WMDHOWBPAGTFAM-YHYXMXQVSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(/F)C(=O)N(CC)CC1CC1 865732123 583328612 /nfs/dbraw/zinc/32/86/12/583328612.db2.gz WMDHOWBPAGTFAM-BJMVGYQFSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(\F)C(=O)N(CC)C1CCC1 865981936 583328814 /nfs/dbraw/zinc/32/88/14/583328814.db2.gz PYDKJNSVRZYANH-POHAHGRESA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(/F)C(=O)N(CC)C1CCC1 865981937 583328969 /nfs/dbraw/zinc/32/89/69/583328969.db2.gz PYDKJNSVRZYANH-UXBLZVDNSA-N 0 0 199.269 2.651 10 0 AFAERN CC/C=C(\F)C(=O)NCCCC1CC1 865965182 583329097 /nfs/dbraw/zinc/32/90/97/583329097.db2.gz RBGATYHTZSOAPD-WMZJFQQLSA-N 0 0 199.269 2.556 10 0 AFAERN CCc1csc(N2C[C@@H](C)[C@H]2C)n1 865838966 583329440 /nfs/dbraw/zinc/32/94/40/583329440.db2.gz FCZJXPXTDMDUPK-HTQZYQBOSA-N 0 0 196.319 2.550 10 0 AFAERN CC/C=C(/F)C(=O)NCCCC1CC1 865965181 583329497 /nfs/dbraw/zinc/32/94/97/583329497.db2.gz RBGATYHTZSOAPD-ONNFQVAWSA-N 0 0 199.269 2.556 10 0 AFAERN CC/C=C(\F)C(=O)N1C[C@H](C)C[C@@H]1C 866021524 583329778 /nfs/dbraw/zinc/32/97/78/583329778.db2.gz YFFJGNKHCCHSRC-IGAXCRGUSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(/F)C(=O)NC(C)(C)C1CC1 866061252 583329858 /nfs/dbraw/zinc/32/98/58/583329858.db2.gz PRPUNTABYMHEKA-WEVVVXLNSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N1CCC(C)(C)C1 866184711 583330091 /nfs/dbraw/zinc/33/00/91/583330091.db2.gz PLWNZPOBZUDHHK-WEVVVXLNSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(/F)C(=O)N1C[C@H](C)C[C@@H]1C 866021523 583330197 /nfs/dbraw/zinc/33/01/97/583330197.db2.gz YFFJGNKHCCHSRC-BUDQVDAVSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(\F)C(=O)NC(C)(C)C1CC1 866061251 583330201 /nfs/dbraw/zinc/33/02/01/583330201.db2.gz PRPUNTABYMHEKA-UITAMQMPSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N1C[C@H](C)C[C@H]1C 866021526 583330393 /nfs/dbraw/zinc/33/03/93/583330393.db2.gz YFFJGNKHCCHSRC-SDEVKPEUSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(\F)C(=O)N1CCC(C)(C)C1 866184709 583330405 /nfs/dbraw/zinc/33/04/05/583330405.db2.gz PLWNZPOBZUDHHK-UITAMQMPSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(\F)C(=O)N1C[C@H](C)C[C@H]1C 866021525 583330434 /nfs/dbraw/zinc/33/04/34/583330434.db2.gz YFFJGNKHCCHSRC-JVEIXEQUSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(/F)C(=O)NCC1(C)CCC1 866398941 583330663 /nfs/dbraw/zinc/33/06/63/583330663.db2.gz NGBOQLBODQACQP-WEVVVXLNSA-N 0 0 199.269 2.556 10 0 AFAERN CC/C=C(/F)C(=O)NCC1(CC)CC1 866398070 583330690 /nfs/dbraw/zinc/33/06/90/583330690.db2.gz KVCUZCBMKWHIOW-WEVVVXLNSA-N 0 0 199.269 2.556 10 0 AFAERN CC/C=C(/F)C(=O)N1CC[C@H](C)[C@H]1C 866338874 583330761 /nfs/dbraw/zinc/33/07/61/583330761.db2.gz ZIDYMGOZBBSHON-MSQCDERJSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(\F)C(=O)N1CC[C@H](C)[C@H]1C 866338872 583330961 /nfs/dbraw/zinc/33/09/61/583330961.db2.gz ZIDYMGOZBBSHON-BWGNNSGVSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(/F)C(=O)NC1(CC)CCC1 866325032 583330972 /nfs/dbraw/zinc/33/09/72/583330972.db2.gz MGLAGIKMUNMJHE-RMKNXTFCSA-N 0 0 199.269 2.699 10 0 AFAERN CC/C=C(\F)C(=O)NCC1(CC)CC1 866398068 583330998 /nfs/dbraw/zinc/33/09/98/583330998.db2.gz KVCUZCBMKWHIOW-UITAMQMPSA-N 0 0 199.269 2.556 10 0 AFAERN CCCCCC(=O)O[C@@H]1C=CCC1 206077567 583331022 /nfs/dbraw/zinc/33/10/22/583331022.db2.gz WARIKYKMFKLMLF-SNVBAGLBSA-N 0 0 182.263 2.829 10 0 AFAERN CC/C=C(\F)C(=O)NC1(CC)CCC1 866325035 583331025 /nfs/dbraw/zinc/33/10/25/583331025.db2.gz MGLAGIKMUNMJHE-TWGQIWQCSA-N 0 0 199.269 2.699 10 0 AFAERN CC/C=C(\F)C(=O)NCC1(C)CCC1 866398940 583331151 /nfs/dbraw/zinc/33/11/51/583331151.db2.gz NGBOQLBODQACQP-UITAMQMPSA-N 0 0 199.269 2.556 10 0 AFAERN CC/C=C(/F)C(=O)N1CC[C@H](C)[C@@H]1C 866338875 583331225 /nfs/dbraw/zinc/33/12/25/583331225.db2.gz ZIDYMGOZBBSHON-YZSFECFPSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(\F)C(=O)N1CC[C@H](C)[C@@H]1C 866338873 583331305 /nfs/dbraw/zinc/33/13/05/583331305.db2.gz ZIDYMGOZBBSHON-KWXWZAANSA-N 0 0 199.269 2.507 10 0 AFAERN CC/C=C(/F)C(=O)N1CC[C@H](CC)C1 866480434 583331504 /nfs/dbraw/zinc/33/15/04/583331504.db2.gz DBEZFLVSVYGZPO-UMYFRRCYSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(/F)C(=O)N1CC[C@@H](CC)C1 866480433 583331583 /nfs/dbraw/zinc/33/15/83/583331583.db2.gz DBEZFLVSVYGZPO-RAJVOEEQSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(\F)C(=O)N1CC[C@@H](CC)C1 866480431 583331766 /nfs/dbraw/zinc/33/17/66/583331766.db2.gz DBEZFLVSVYGZPO-JRZFIGEHSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(\F)C(=O)N1CC[C@H](CC)C1 866480432 583331832 /nfs/dbraw/zinc/33/18/32/583331832.db2.gz DBEZFLVSVYGZPO-QFQXNISHSA-N 0 0 199.269 2.508 10 0 AFAERN COC(=O)NCC[C@@H]1CCCC1(C)C 867553583 583333791 /nfs/dbraw/zinc/33/37/91/583333791.db2.gz ZSPUQPOYXQQKRZ-VIFPVBQESA-N 0 0 199.294 2.559 10 0 AFAERN COC(=O)NC1(C)CCC(C)(C)CC1 867561653 583333803 /nfs/dbraw/zinc/33/38/03/583333803.db2.gz DCROBGGVMOSQCW-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN COC(=O)NCC[C@H]1CCCC1(C)C 867553580 583333917 /nfs/dbraw/zinc/33/39/17/583333917.db2.gz ZSPUQPOYXQQKRZ-SECBINFHSA-N 0 0 199.294 2.559 10 0 AFAERN CC/C=C(/F)C(=O)N[C@@H]1CC[C@@H](C)C1 867646489 583334119 /nfs/dbraw/zinc/33/41/19/583334119.db2.gz GJYUHJYIHZFIFZ-CICSDFTJSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)NCCC=C(C)C 867731560 583334381 /nfs/dbraw/zinc/33/43/81/583334381.db2.gz GWWHNANGEXKYJP-UXBLZVDNSA-N 0 0 199.269 2.722 10 0 AFAERN CC/C=C(/F)C(=O)N[C@@H]1CC[C@H](C)C1 867646490 583334499 /nfs/dbraw/zinc/33/44/99/583334499.db2.gz GJYUHJYIHZFIFZ-FJWFXUPDSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(\F)C(=O)NCCC=C(C)C 867731559 583334513 /nfs/dbraw/zinc/33/45/13/583334513.db2.gz GWWHNANGEXKYJP-POHAHGRESA-N 0 0 199.269 2.722 10 0 AFAERN CC/C=C(\F)C(=O)N[C@@H]1CC[C@@H](C)C1 867646491 583334783 /nfs/dbraw/zinc/33/47/83/583334783.db2.gz GJYUHJYIHZFIFZ-JSGGQSAASA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(\F)C(=O)N[C@@H]1CC[C@H](C)C1 867646492 583334814 /nfs/dbraw/zinc/33/48/14/583334814.db2.gz GJYUHJYIHZFIFZ-XVCOQGEDSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)NCCC1(C)CC1 867914713 583335404 /nfs/dbraw/zinc/33/54/04/583335404.db2.gz PQWSSKBEEBQENE-RUDMXATFSA-N 0 0 199.269 2.556 10 0 AFAERN CCOC(=O)/C=C(\C)CC(C)C 16892082 583335459 /nfs/dbraw/zinc/33/54/59/583335459.db2.gz JZDBQUQHLAWUMT-VQHVLOKHSA-N 0 0 170.252 2.542 10 0 AFAERN CC/C=C(\F)C(=O)NCCC1(C)CC1 867914714 583335621 /nfs/dbraw/zinc/33/56/21/583335621.db2.gz PQWSSKBEEBQENE-WTKPLQERSA-N 0 0 199.269 2.556 10 0 AFAERN CCOC(=O)/C=C1/CCCC1(C)C 207342599 583337273 /nfs/dbraw/zinc/33/72/73/583337273.db2.gz IMHMNQPYMULQHJ-HJWRWDBZSA-N 0 0 182.263 2.686 10 0 AFAERN CC/C=C(\F)C(=O)N1CC(C)(CC)C1 868484039 583337194 /nfs/dbraw/zinc/33/71/94/583337194.db2.gz POLLFAKXOISPFA-TWGQIWQCSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(/F)C(=O)NC1(C(C)C)CC1 868575585 583337318 /nfs/dbraw/zinc/33/73/18/583337318.db2.gz FJUQLSHWICLGLQ-WEVVVXLNSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N1CC(C)(CC)C1 868484038 583337436 /nfs/dbraw/zinc/33/74/36/583337436.db2.gz POLLFAKXOISPFA-RMKNXTFCSA-N 0 0 199.269 2.508 10 0 AFAERN CC/C=C(\F)C(=O)N[C@@H]1CCC1(C)C 868333560 583337442 /nfs/dbraw/zinc/33/74/42/583337442.db2.gz JWMBHKPSALWUCZ-BZJXQOFCSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N[C@@H]1CCC1(C)C 868333563 583337479 /nfs/dbraw/zinc/33/74/79/583337479.db2.gz JWMBHKPSALWUCZ-WHXYTISESA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(\F)C(=O)NC1(C(C)C)CC1 868575584 583337485 /nfs/dbraw/zinc/33/74/85/583337485.db2.gz FJUQLSHWICLGLQ-UITAMQMPSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(\F)C(=O)N[C@H]1CCC1(C)C 868333562 583337497 /nfs/dbraw/zinc/33/74/97/583337497.db2.gz JWMBHKPSALWUCZ-RDOCRHDPSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N[C@H]1CCC1(C)C 868333561 583337705 /nfs/dbraw/zinc/33/77/05/583337705.db2.gz JWMBHKPSALWUCZ-QRJSTWQJSA-N 0 0 199.269 2.555 10 0 AFAERN COC(=O)N[C@H]1CCCC[C@@H]1C(C)C 122418391 583339740 /nfs/dbraw/zinc/33/97/40/583339740.db2.gz NLUOJZJOGOGHKV-ZJUUUORDSA-N 0 0 199.294 2.557 10 0 AFAERN COC(=O)N[C@@H]1CCCC[C@H]1C(C)C 122418583 583340189 /nfs/dbraw/zinc/34/01/89/583340189.db2.gz NLUOJZJOGOGHKV-VHSXEESVSA-N 0 0 199.294 2.557 10 0 AFAERN COC(=O)N[C@H]1CCCC[C@H]1C(C)C 122418186 583340241 /nfs/dbraw/zinc/34/02/41/583340241.db2.gz NLUOJZJOGOGHKV-UWVGGRQHSA-N 0 0 199.294 2.557 10 0 AFAERN COC(=O)N[C@@H]1CCCC[C@@H]1C(C)C 122418824 583340269 /nfs/dbraw/zinc/34/02/69/583340269.db2.gz NLUOJZJOGOGHKV-NXEZZACHSA-N 0 0 199.294 2.557 10 0 AFAERN CC/C=C(\F)C(=O)N[C@H](CC)C1CC1 869271026 583340483 /nfs/dbraw/zinc/34/04/83/583340483.db2.gz FLIVSCPOEUKIHE-HYHWUIIZSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(\F)C(=O)N[C@@H](CC)C1CC1 869271024 583340658 /nfs/dbraw/zinc/34/06/58/583340658.db2.gz FLIVSCPOEUKIHE-BSKOKIOFSA-N 0 0 199.269 2.555 10 0 AFAERN CCC(=O)OC[C@H](C)C(C)(C)C 869315573 583341049 /nfs/dbraw/zinc/34/10/49/583341049.db2.gz BQNQWFIPGSQHMX-QMMMGPOBSA-N 0 0 172.268 2.622 10 0 AFAERN CCC(=O)OC[C@@H](C)C(C)(C)C 869315572 583341121 /nfs/dbraw/zinc/34/11/21/583341121.db2.gz BQNQWFIPGSQHMX-MRVPVSSYSA-N 0 0 172.268 2.622 10 0 AFAERN CC/C=C(/F)C(=O)N[C@H](CC)C1CC1 869271027 583341244 /nfs/dbraw/zinc/34/12/44/583341244.db2.gz FLIVSCPOEUKIHE-NAZIUFLLSA-N 0 0 199.269 2.555 10 0 AFAERN CC/C=C(/F)C(=O)N[C@@H](CC)C1CC1 869271025 583341334 /nfs/dbraw/zinc/34/13/34/583341334.db2.gz FLIVSCPOEUKIHE-CYNRKNSPSA-N 0 0 199.269 2.555 10 0 AFAERN O=C(OCCCC1CC1)C12CC(C1)C2 869565346 583341600 /nfs/dbraw/zinc/34/16/00/583341600.db2.gz RJNNHXKSQDTASD-UHFFFAOYSA-N 0 0 194.274 2.520 10 0 AFAERN O=C(OCCCC1CC1)[C@@H]1CC12CC2 869539263 583341954 /nfs/dbraw/zinc/34/19/54/583341954.db2.gz DNJMFYKRWXWGNC-JTQLQIEISA-N 0 0 194.274 2.520 10 0 AFAERN O=C(OCCCC1CC1)[C@H]1CC12CC2 869539264 583341992 /nfs/dbraw/zinc/34/19/92/583341992.db2.gz DNJMFYKRWXWGNC-SNVBAGLBSA-N 0 0 194.274 2.520 10 0 AFAERN CC(C)COC(=O)[C@@]12CCCC[C@@H]1C2 869708606 583343490 /nfs/dbraw/zinc/34/34/90/583343490.db2.gz PMTVITNHPADFBY-ZYHUDNBSSA-N 0 0 196.290 2.766 10 0 AFAERN C/C=C/COC(=O)[C@]12CCCC[C@H]1C2 869703299 583343639 /nfs/dbraw/zinc/34/36/39/583343639.db2.gz COJDMQHQTHKHOO-CDVXORQFSA-N 0 0 194.274 2.686 10 0 AFAERN CC[C@H](C)OC(=O)[C@]12CCCC[C@H]1C2 869708730 583343676 /nfs/dbraw/zinc/34/36/76/583343676.db2.gz QPSVZRFPHDNECW-NHCYSSNCSA-N 0 0 196.290 2.908 10 0 AFAERN C/C=C\COC(=O)[C@]12CCCC[C@H]1C2 869703300 583343893 /nfs/dbraw/zinc/34/38/93/583343893.db2.gz COJDMQHQTHKHOO-OXJJUQKVSA-N 0 0 194.274 2.686 10 0 AFAERN CC(C)COC(=O)[C@]12CCCC[C@H]1C2 869708603 583343897 /nfs/dbraw/zinc/34/38/97/583343897.db2.gz PMTVITNHPADFBY-JQWIXIFHSA-N 0 0 196.290 2.766 10 0 AFAERN CC[C@H](C)OC(=O)[C@@]12CCCC[C@@H]1C2 869708725 583343906 /nfs/dbraw/zinc/34/39/06/583343906.db2.gz QPSVZRFPHDNECW-HOSYDEDBSA-N 0 0 196.290 2.908 10 0 AFAERN C[C@@H](Nc1ccc(Cl)nc1)C1CC1 122813785 583344252 /nfs/dbraw/zinc/34/42/52/583344252.db2.gz AHQSNRMVYFVXSH-SSDOTTSWSA-N 0 0 196.681 2.945 10 0 AFAERN CC(C)OC(=O)/C=C\c1ccsc1 208018680 583344444 /nfs/dbraw/zinc/34/44/44/583344444.db2.gz IAXUGGNDPQJVSM-ARJAWSKDSA-N 0 0 196.271 2.713 10 0 AFAERN C[C@H](Nc1ccc(Cl)nc1)C1CC1 122813595 583344508 /nfs/dbraw/zinc/34/45/08/583344508.db2.gz AHQSNRMVYFVXSH-ZETCQYMHSA-N 0 0 196.681 2.945 10 0 AFAERN C/C=C(\C)C(=O)OC(C1CC1)C1CC1 870489225 583346982 /nfs/dbraw/zinc/34/69/82/583346982.db2.gz DMUJVEGPHSPZBE-FPYGCLRLSA-N 0 0 194.274 2.684 10 0 AFAERN C/C=C(\C)C(=O)NCCC(C)(C)CC 870289765 583346118 /nfs/dbraw/zinc/34/61/18/583346118.db2.gz GFWNNRAFWPEMFK-UXBLZVDNSA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C(/C)C(=O)NCCC(C)(C)CC 870289764 583346724 /nfs/dbraw/zinc/34/67/24/583346724.db2.gz GFWNNRAFWPEMFK-POHAHGRESA-N 0 0 197.322 2.895 10 0 AFAERN C/C=C(/C)C(=O)OC(C1CC1)C1CC1 870489224 583347312 /nfs/dbraw/zinc/34/73/12/583347312.db2.gz DMUJVEGPHSPZBE-BAQGIRSFSA-N 0 0 194.274 2.684 10 0 AFAERN C/C=C(\C)C(=O)OC[C@@H]1C[C@H]1C1CC1 870669618 583348257 /nfs/dbraw/zinc/34/82/57/583348257.db2.gz ZXIYKZDASCRVNP-CWPUROJRSA-N 0 0 194.274 2.542 10 0 AFAERN CC[C@H](C)C(=O)OC[C@@H]1C[C@H]1C1CC1 870667731 583348347 /nfs/dbraw/zinc/34/83/47/583348347.db2.gz IHGZZXHLCYDDIG-LSJOCFKGSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)CC(=O)OC[C@@H]1C[C@H]1C1CC1 870668079 583348384 /nfs/dbraw/zinc/34/83/84/583348384.db2.gz PYEYERFAAUAHKY-QWRGUYRKSA-N 0 0 196.290 2.622 10 0 AFAERN CC(C)(C)C(=O)OC[C@@H]1C[C@H]1C1CC1 870666564 583348390 /nfs/dbraw/zinc/34/83/90/583348390.db2.gz AOPFFJFBHKRTSV-UWVGGRQHSA-N 0 0 196.290 2.622 10 0 AFAERN C/C=C(/C)C(=O)OC[C@@H]1C[C@H]1C1CC1 870669619 583348400 /nfs/dbraw/zinc/34/84/00/583348400.db2.gz ZXIYKZDASCRVNP-FNYDHOEFSA-N 0 0 194.274 2.542 10 0 AFAERN CC[C@@H](C)C(=O)OC[C@@H]1C[C@H]1C1CC1 870667733 583348426 /nfs/dbraw/zinc/34/84/26/583348426.db2.gz IHGZZXHLCYDDIG-MIMYLULJSA-N 0 0 196.290 2.622 10 0 AFAERN Cc1c(N)n[nH]c1C1CCC(C)CC1 123504037 583350919 /nfs/dbraw/zinc/35/09/19/583350919.db2.gz IXEUCTNOQHHOKM-UHFFFAOYSA-N 0 0 193.294 2.594 10 0 AFAERN CCc1sc(COC(C)C)nc1C 871600200 583351806 /nfs/dbraw/zinc/35/18/06/583351806.db2.gz LBLXTQYUBKWQAY-UHFFFAOYSA-N 0 0 199.319 2.939 10 0 AFAERN CO[C@H]1C[C@@H](CSC2CCC2)C1 871672996 583353137 /nfs/dbraw/zinc/35/31/37/583353137.db2.gz DRHSBQURSOBXKO-DTORHVGOSA-N 0 0 186.320 2.697 10 0 AFAERN Cc1conc1CSC1CCC1 871673543 583353188 /nfs/dbraw/zinc/35/31/88/583353188.db2.gz KXDYLOGWEZNFDB-UHFFFAOYSA-N 0 0 183.276 2.769 10 0 AFAERN Cc1conc1CSCC1CC1 871671302 583353194 /nfs/dbraw/zinc/35/31/94/583353194.db2.gz AOLLGRLEWDQLHS-UHFFFAOYSA-N 0 0 183.276 2.626 10 0 AFAERN CO[C@H]1C[C@@H](CSCC(C)C)C1 871632236 583353214 /nfs/dbraw/zinc/35/32/14/583353214.db2.gz SSIPOFHFNRVRJY-AOOOYVTPSA-N 0 0 188.336 2.801 10 0 AFAERN CO[C@H]1C[C@@H](CSCC2CC2)C1 871672224 583353251 /nfs/dbraw/zinc/35/32/51/583353251.db2.gz MVAIDYOWLGEYLV-AOOOYVTPSA-N 0 0 186.320 2.555 10 0 AFAERN Cc1conc1CSCC(C)C 871632490 583353265 /nfs/dbraw/zinc/35/32/65/583353265.db2.gz ZNYCOMWYMWUIMR-UHFFFAOYSA-N 0 0 185.292 2.872 10 0 AFAERN C/C=C\CSC[C@H]1C[C@@H](OC)C1 871697916 583353832 /nfs/dbraw/zinc/35/38/32/583353832.db2.gz BZQKGTMZCKQDDI-BZDJSAGESA-N 0 0 186.320 2.721 10 0 AFAERN Cc1cnn(CC2CC3(CCC3)C2)c1 871733654 583353840 /nfs/dbraw/zinc/35/38/40/583353840.db2.gz LYOBCXGSZPGXHL-UHFFFAOYSA-N 0 0 190.290 2.772 10 0 AFAERN Cc1conc1CSCCCF 871700850 583353758 /nfs/dbraw/zinc/35/37/58/583353758.db2.gz UCHKADAKOGRNLU-UHFFFAOYSA-N 0 0 189.255 2.576 10 0 AFAERN CO[C@H]1C[C@@H](CSCCCF)C1 871701187 583353762 /nfs/dbraw/zinc/35/37/62/583353762.db2.gz YWFRFUYEGZNKNG-DTORHVGOSA-N 0 0 192.299 2.504 10 0 AFAERN CCCSC[C@H]1C[C@@H](OC)C1 871697386 583353802 /nfs/dbraw/zinc/35/38/02/583353802.db2.gz XDVOSDIQHSQEHU-DTORHVGOSA-N 0 0 174.309 2.555 10 0 AFAERN C/C=C/CSC[C@H]1C[C@@H](OC)C1 871697917 583353905 /nfs/dbraw/zinc/35/39/05/583353905.db2.gz BZQKGTMZCKQDDI-LDYOUVJNSA-N 0 0 186.320 2.721 10 0 AFAERN Cc1conc1CSC(C)C 871696546 583353915 /nfs/dbraw/zinc/35/39/15/583353915.db2.gz NTHRFHPSZQHBIS-UHFFFAOYSA-N 0 0 171.265 2.625 10 0 AFAERN CCSC1CC(CF)(CF)C1 871695734 583353993 /nfs/dbraw/zinc/35/39/93/583353993.db2.gz BNBCKVCMZNAJGK-UHFFFAOYSA-N 0 0 180.263 2.827 10 0 AFAERN CCCCSC[C@H]1C[C@@H](OC)C1 871697124 583354247 /nfs/dbraw/zinc/35/42/47/583354247.db2.gz UURGEWWCMILCDJ-AOOOYVTPSA-N 0 0 188.336 2.945 10 0 AFAERN CCCSCc1nocc1C 871695744 583354252 /nfs/dbraw/zinc/35/42/52/583354252.db2.gz BVHQCQYYFNUYPF-UHFFFAOYSA-N 0 0 171.265 2.626 10 0 AFAERN CO[C@H]1C[C@@H](CSC(C)C)C1 871696068 583354287 /nfs/dbraw/zinc/35/42/87/583354287.db2.gz HPKYRFIJWWHWSA-DTORHVGOSA-N 0 0 174.309 2.553 10 0 AFAERN Cc1ncn(C[C@@H](C)CC(C)(C)C)n1 871756371 583354393 /nfs/dbraw/zinc/35/43/93/583354393.db2.gz QBDXOHWCVYZUKY-VIFPVBQESA-N 0 0 195.310 2.659 10 0 AFAERN Cc1ncn(C[C@H](C)CC(C)(C)C)n1 871756370 583354681 /nfs/dbraw/zinc/35/46/81/583354681.db2.gz QBDXOHWCVYZUKY-SECBINFHSA-N 0 0 195.310 2.659 10 0 AFAERN Cc1cn(C[C@@H](C)CC(C)(C)C)nn1 871756681 583355149 /nfs/dbraw/zinc/35/51/49/583355149.db2.gz VAEDKZSEJLNIOZ-VIFPVBQESA-N 0 0 195.310 2.659 10 0 AFAERN C[C@H](COc1ccnnc1)C(C)(C)C 871754133 583355262 /nfs/dbraw/zinc/35/52/62/583355262.db2.gz DSZITPCVKWKHFX-SECBINFHSA-N 0 0 194.278 2.538 10 0 AFAERN Cc1cn(C[C@H](C)CC(C)(C)C)nn1 871756680 583355401 /nfs/dbraw/zinc/35/54/01/583355401.db2.gz VAEDKZSEJLNIOZ-SECBINFHSA-N 0 0 195.310 2.659 10 0 AFAERN C[C@@H](COc1ccnnc1)C(C)(C)C 871754134 583355429 /nfs/dbraw/zinc/35/54/29/583355429.db2.gz DSZITPCVKWKHFX-VIFPVBQESA-N 0 0 194.278 2.538 10 0 AFAERN c1nn(CCCC2CC2)cc1C1CC1 871759019 583355472 /nfs/dbraw/zinc/35/54/72/583355472.db2.gz SPNOJUQAMIHDKL-UHFFFAOYSA-N 0 0 190.290 2.951 10 0 AFAERN CNc1ccc(F)cc1C(C)(F)F 871859252 583355996 /nfs/dbraw/zinc/35/59/96/583355996.db2.gz HQIYLFINAOTKPC-UHFFFAOYSA-N 0 0 189.180 2.979 10 0 AFAERN CNc1cccc2c1OC(C)(C)C=C2 871853566 583356062 /nfs/dbraw/zinc/35/60/62/583356062.db2.gz ZLLMCPHBMHKWNZ-UHFFFAOYSA-N 0 0 189.258 2.913 10 0 AFAERN CNc1cccc(F)c1C(C)(F)F 871860229 583356072 /nfs/dbraw/zinc/35/60/72/583356072.db2.gz VVHXNPLQKVXDFG-UHFFFAOYSA-N 0 0 189.180 2.979 10 0 AFAERN CNc1ccc(F)c(C(F)F)c1 871858082 583356180 /nfs/dbraw/zinc/35/61/80/583356180.db2.gz JQCWAIGDFBHTRA-UHFFFAOYSA-N 0 0 175.153 2.805 10 0 AFAERN CNc1ccc(C2CC2)cc1F 871860542 583356223 /nfs/dbraw/zinc/35/62/23/583356223.db2.gz JLAQOIGXDHJFLM-UHFFFAOYSA-N 0 0 165.211 2.745 10 0 AFAERN CNc1cc(OC)ccc1C1CC1 871866318 583356334 /nfs/dbraw/zinc/35/63/34/583356334.db2.gz SFFXMLPZGOJSFO-UHFFFAOYSA-N 0 0 177.247 2.614 10 0 AFAERN COC(=O)NCC[C@@H]1CCC[C@H](C)C1 123848570 583356611 /nfs/dbraw/zinc/35/66/11/583356611.db2.gz KOGVJCPBPYJLRY-UWVGGRQHSA-N 0 0 199.294 2.559 10 0 AFAERN COC(=O)NCC[C@@H]1CCC[C@@H](C)C1 123848348 583356720 /nfs/dbraw/zinc/35/67/20/583356720.db2.gz KOGVJCPBPYJLRY-ZJUUUORDSA-N 0 0 199.294 2.559 10 0 AFAERN COC(=O)NCC[C@H]1CCC[C@@H](C)C1 123847934 583357002 /nfs/dbraw/zinc/35/70/02/583357002.db2.gz KOGVJCPBPYJLRY-NXEZZACHSA-N 0 0 199.294 2.559 10 0 AFAERN COC(=O)NCC[C@H]1CCC[C@H](C)C1 123848151 583357342 /nfs/dbraw/zinc/35/73/42/583357342.db2.gz KOGVJCPBPYJLRY-VHSXEESVSA-N 0 0 199.294 2.559 10 0 AFAERN CCC[C@H](C)Nc1cnn(CC)c1C 872136553 583359164 /nfs/dbraw/zinc/35/91/64/583359164.db2.gz GHTAOLRVESNLTF-VIFPVBQESA-N 0 0 195.310 2.812 10 0 AFAERN COC(=O)N1CCC(C(C)(C)C)CC1 123892435 583359597 /nfs/dbraw/zinc/35/95/97/583359597.db2.gz BEXBLVVCEZZFSU-UHFFFAOYSA-N 0 0 199.294 2.511 10 0 AFAERN CCSCC[C@@H](O)c1ccccc1 123999693 583359849 /nfs/dbraw/zinc/35/98/49/583359849.db2.gz CROMZYCNKXTBSA-LLVKDONJSA-N 0 0 196.315 2.863 10 0 AFAERN CCC[C@@H](C)Nc1cnn(CC)c1C 872136540 583360100 /nfs/dbraw/zinc/36/01/00/583360100.db2.gz GHTAOLRVESNLTF-SECBINFHSA-N 0 0 195.310 2.812 10 0 AFAERN CCSCC[C@H](O)c1ccccc1 123999491 583360126 /nfs/dbraw/zinc/36/01/26/583360126.db2.gz CROMZYCNKXTBSA-NSHDSACASA-N 0 0 196.315 2.863 10 0 AFAERN CCn1ncc(N[C@@H](C)C(C)C)c1C 872138119 583360525 /nfs/dbraw/zinc/36/05/25/583360525.db2.gz RSDKAQNKZCKSQA-VIFPVBQESA-N 0 0 195.310 2.668 10 0 AFAERN CCn1ncc(N[C@H](C)C(C)C)c1C 872138118 583360603 /nfs/dbraw/zinc/36/06/03/583360603.db2.gz RSDKAQNKZCKSQA-SECBINFHSA-N 0 0 195.310 2.668 10 0 AFAERN C/C=C/C=C/C(=O)N(C)C1CCCC1 873345516 583373951 /nfs/dbraw/zinc/37/39/51/583373951.db2.gz HZFJDMNCTHXTPQ-COBAKMAKSA-N 0 0 193.290 2.520 10 0 AFAERN C/C=C/C=C\C(=O)N(C)C1CCCC1 873345527 583374210 /nfs/dbraw/zinc/37/42/10/583374210.db2.gz HZFJDMNCTHXTPQ-STMOGGTPSA-N 0 0 193.290 2.520 10 0 AFAERN C/C=C(/C)C(=O)O[C@H](C)[C@H]1CC12CC2 873626442 583374874 /nfs/dbraw/zinc/37/48/74/583374874.db2.gz GXNYPRWSTWLYSA-QPGUZKIZSA-N 0 0 194.274 2.684 10 0 AFAERN C/C=C(\C)C(=O)O[C@H](C)[C@@H]1CC12CC2 873626440 583374944 /nfs/dbraw/zinc/37/49/44/583374944.db2.gz GXNYPRWSTWLYSA-PIOFTHJTSA-N 0 0 194.274 2.684 10 0 AFAERN C/C=C(\C)C(=O)O[C@H](C)[C@H]1CC12CC2 873626441 583375009 /nfs/dbraw/zinc/37/50/09/583375009.db2.gz GXNYPRWSTWLYSA-PSVJHUJZSA-N 0 0 194.274 2.684 10 0 AFAERN CC[C@H](C)C(=O)O[C@H](C)[C@@H]1CC12CC2 873628958 583376094 /nfs/dbraw/zinc/37/60/94/583376094.db2.gz PUGDZFDJXHGMHP-AEJSXWLSSA-N 0 0 196.290 2.764 10 0 AFAERN CC[C@@H](C)C(=O)O[C@H](C)[C@H]1CC12CC2 873628961 583375861 /nfs/dbraw/zinc/37/58/61/583375861.db2.gz PUGDZFDJXHGMHP-OPRDCNLKSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)=CC(=O)O[C@H](C)[C@H]1CC12CC2 873630958 583375885 /nfs/dbraw/zinc/37/58/85/583375885.db2.gz SRBAEVCOLJZIDK-NXEZZACHSA-N 0 0 194.274 2.684 10 0 AFAERN CC[C@@H](C)C(=O)O[C@H](C)[C@@H]1CC12CC2 873628959 583375950 /nfs/dbraw/zinc/37/59/50/583375950.db2.gz PUGDZFDJXHGMHP-BBBLOLIVSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)CC(=O)O[C@H](C)[C@H]1CC12CC2 873631064 583376162 /nfs/dbraw/zinc/37/61/62/583376162.db2.gz WLKAZHZVIZMFTQ-NXEZZACHSA-N 0 0 196.290 2.764 10 0 AFAERN CCCCC(=O)O[C@H](C)[C@@H]1CC12CC2 873627845 583376174 /nfs/dbraw/zinc/37/61/74/583376174.db2.gz GAJQJEZSEAAUAG-ZJUUUORDSA-N 0 0 196.290 2.908 10 0 AFAERN CC(C)CC(=O)O[C@H](C)[C@@H]1CC12CC2 873631065 583376210 /nfs/dbraw/zinc/37/62/10/583376210.db2.gz WLKAZHZVIZMFTQ-ZJUUUORDSA-N 0 0 196.290 2.764 10 0 AFAERN CCCCC(=O)O[C@H](C)[C@H]1CC12CC2 873627844 583376244 /nfs/dbraw/zinc/37/62/44/583376244.db2.gz GAJQJEZSEAAUAG-NXEZZACHSA-N 0 0 196.290 2.908 10 0 AFAERN C/C=C(/C)C(=O)O[C@H](C)[C@@H]1CC12CC2 873626439 583376262 /nfs/dbraw/zinc/37/62/62/583376262.db2.gz GXNYPRWSTWLYSA-LTAOASPFSA-N 0 0 194.274 2.684 10 0 AFAERN CCCC(=O)O[C@H](C)[C@@H]1CC12CC2 873630071 583376264 /nfs/dbraw/zinc/37/62/64/583376264.db2.gz XNDWMYYHRWPNRQ-BDAKNGLRSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@@H](OC(=O)C1(C)CC1)[C@H]1CC12CC2 873627537 583376304 /nfs/dbraw/zinc/37/63/04/583376304.db2.gz YPSGQDFBOLYQAC-RKDXNWHRSA-N 0 0 194.274 2.518 10 0 AFAERN C[C@@H](OC(=O)C(C)(C)C)[C@H]1CC12CC2 873627783 583376353 /nfs/dbraw/zinc/37/63/53/583376353.db2.gz DUCPOMCUTCJKEH-RKDXNWHRSA-N 0 0 196.290 2.764 10 0 AFAERN CC(C)=CC(=O)O[C@H](C)[C@@H]1CC12CC2 873630959 583376368 /nfs/dbraw/zinc/37/63/68/583376368.db2.gz SRBAEVCOLJZIDK-ZJUUUORDSA-N 0 0 194.274 2.684 10 0 AFAERN CC[C@H](C)C(=O)O[C@H](C)[C@H]1CC12CC2 873628960 583376384 /nfs/dbraw/zinc/37/63/84/583376384.db2.gz PUGDZFDJXHGMHP-IVZWLZJFSA-N 0 0 196.290 2.764 10 0 AFAERN CCCC(=O)O[C@H](C)[C@H]1CC12CC2 873630072 583376434 /nfs/dbraw/zinc/37/64/34/583376434.db2.gz XNDWMYYHRWPNRQ-RKDXNWHRSA-N 0 0 182.263 2.518 10 0 AFAERN C[C@@H](OC(=O)C1(C)CC1)[C@@H]1CC12CC2 873627536 583376463 /nfs/dbraw/zinc/37/64/63/583376463.db2.gz YPSGQDFBOLYQAC-BDAKNGLRSA-N 0 0 194.274 2.518 10 0 AFAERN C[C@@H](OC(=O)C1CCC1)[C@H]1CC12CC2 873628052 583376501 /nfs/dbraw/zinc/37/65/01/583376501.db2.gz BNPJOCOBWPZXIQ-PSASIEDQSA-N 0 0 194.274 2.518 10 0 AFAERN C[C@@H](OC(=O)C(C)(C)C)[C@@H]1CC12CC2 873627782 583376532 /nfs/dbraw/zinc/37/65/32/583376532.db2.gz DUCPOMCUTCJKEH-BDAKNGLRSA-N 0 0 196.290 2.764 10 0 AFAERN C[C@@H](OC(=O)C1CCC1)[C@@H]1CC12CC2 873628053 583376568 /nfs/dbraw/zinc/37/65/68/583376568.db2.gz BNPJOCOBWPZXIQ-SCZZXKLOSA-N 0 0 194.274 2.518 10 0 AFAERN Fc1cccc(NCCCC2CC2)n1 124712768 583377435 /nfs/dbraw/zinc/37/74/35/583377435.db2.gz ZNHFGBLFVNTLFI-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN CC(C)(C)OC(=O)NCCCC1CC1 124838014 583379037 /nfs/dbraw/zinc/37/90/37/583379037.db2.gz CAKWMQFSKVTJIX-UHFFFAOYSA-N 0 0 199.294 2.701 10 0 AFAERN Cc1cncc(NCc2ccoc2)c1 125081041 583382176 /nfs/dbraw/zinc/38/21/76/583382176.db2.gz PYPQYWAONCAFME-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN Cc1ccc(OC(=O)[C@@H]2C[C@@H]2C)cc1 876214660 583385783 /nfs/dbraw/zinc/38/57/83/583385783.db2.gz AGULZHAQMHPNPD-GXSJLCMTSA-N 0 0 190.242 2.556 10 0 AFAERN Cc1cccc(OC(=O)[C@H]2C[C@H]2C)c1 876232806 583385809 /nfs/dbraw/zinc/38/58/09/583385809.db2.gz PXLKODPWFUMCTI-KOLCDFICSA-N 0 0 190.242 2.556 10 0 AFAERN Cc1ccc(OC(=O)[C@H]2C[C@H]2C)cc1 876214661 583385887 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CC(C)OC(=O)N1CCC[C@@H]1C(C)C 127525414 583416779 /nfs/dbraw/zinc/41/67/79/583416779.db2.gz SNQCFFCRYXAIES-SNVBAGLBSA-N 0 0 199.294 2.652 10 0 AFAERN CC(C)OC(=O)N1C[C@@H](C)CC[C@@H]1C 127516103 583416966 /nfs/dbraw/zinc/41/69/66/583416966.db2.gz MKBSHYOHPQUFQX-UWVGGRQHSA-N 0 0 199.294 2.652 10 0 AFAERN CC(C)OC(=O)N1C[C@H](C)CC[C@H]1C 127516340 583417448 /nfs/dbraw/zinc/41/74/48/583417448.db2.gz MKBSHYOHPQUFQX-NXEZZACHSA-N 0 0 199.294 2.652 10 0 AFAERN CC(C)OC(=O)N1C[C@H](C)CC[C@@H]1C 127515887 583417606 /nfs/dbraw/zinc/41/76/06/583417606.db2.gz MKBSHYOHPQUFQX-ZJUUUORDSA-N 0 0 199.294 2.652 10 0 AFAERN CCC[C@H](C)N(C)OCC(F)(F)F 879519525 583420422 /nfs/dbraw/zinc/42/04/22/583420422.db2.gz SWKBYAJWXJXSEV-ZETCQYMHSA-N 0 0 199.216 2.601 10 0 AFAERN CCC[C@@H](C)N(C)OCC(F)(F)F 879519524 583420668 /nfs/dbraw/zinc/42/06/68/583420668.db2.gz SWKBYAJWXJXSEV-SSDOTTSWSA-N 0 0 199.216 2.601 10 0 AFAERN CC(C)OC(=O)N1CC[C@@H](C)[C@H](C)C1 127862994 583421830 /nfs/dbraw/zinc/42/18/30/583421830.db2.gz 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/nfs/dbraw/zinc/42/29/82/583422982.db2.gz AAYYKZQIJFMADP-FPLPWBNLSA-N 0 0 171.284 2.616 10 0 AFAERN C=C/C=C/CCN1OC2CCC1CC2 879799683 583423184 /nfs/dbraw/zinc/42/31/84/583423184.db2.gz LGWCOFOUYSFPND-ONEGZZNKSA-N 0 0 193.290 2.677 10 0 AFAERN CC/C=C/CCN(CC)OCC 879798057 583423603 /nfs/dbraw/zinc/42/36/03/583423603.db2.gz AAYYKZQIJFMADP-BQYQJAHWSA-N 0 0 171.284 2.616 10 0 AFAERN CCON(CC)Cc1ccsc1 879798730 583423653 /nfs/dbraw/zinc/42/36/53/583423653.db2.gz GHEUHMUAGMHJBY-UHFFFAOYSA-N 0 0 185.292 2.522 10 0 AFAERN C(CC1CC1)CN1OC2CCC1CC2 879798963 583423882 /nfs/dbraw/zinc/42/38/82/583423882.db2.gz CUIFDZDDCIJYGG-UHFFFAOYSA-N 0 0 195.306 2.735 10 0 AFAERN CCON(CC)CCC(C)(C)C 879795727 583424033 /nfs/dbraw/zinc/42/40/33/583424033.db2.gz DMBSYNYJBIOTBW-UHFFFAOYSA-N 0 0 173.300 2.696 10 0 AFAERN C=C/C=C\CCN1OC2CCC1CC2 879799682 583424926 /nfs/dbraw/zinc/42/49/26/583424926.db2.gz LGWCOFOUYSFPND-ARJAWSKDSA-N 0 0 193.290 2.677 10 0 AFAERN C/C=C\C(=O)NC1CCC(C)(C)CC1 211356569 583440895 /nfs/dbraw/zinc/44/08/95/583440895.db2.gz RJONXTVKGQPFCB-PLNGDYQASA-N 0 0 195.306 2.648 10 0 AFAERN C/C=C\C(=O)N1CCC(CC)(CC)C1 211456052 583441695 /nfs/dbraw/zinc/44/16/95/583441695.db2.gz BLWSJERNIFUGKA-DAXSKMNVSA-N 0 0 195.306 2.601 10 0 AFAERN CC[C@H]1CCC/C(=C/C(=O)OC)C1 211498122 583442181 /nfs/dbraw/zinc/44/21/81/583442181.db2.gz DZHGMXSSFHFBHM-CUQRQBARSA-N 0 0 182.263 2.686 10 0 AFAERN CC[C@@H]1CCC/C(=C/C(=O)OC)C1 211498051 583442324 /nfs/dbraw/zinc/44/23/24/583442324.db2.gz DZHGMXSSFHFBHM-URLRMUCDSA-N 0 0 182.263 2.686 10 0 AFAERN CCC[C@@H](C)CCNC(=O)C1CCC1 881527952 583444542 /nfs/dbraw/zinc/44/45/42/583444542.db2.gz MZQORYVBHZHHLS-SNVBAGLBSA-N 0 0 197.322 2.729 10 0 AFAERN CCC[C@H](C)CCNC(=O)C1CCC1 881527951 583444579 /nfs/dbraw/zinc/44/45/79/583444579.db2.gz MZQORYVBHZHHLS-JTQLQIEISA-N 0 0 197.322 2.729 10 0 AFAERN CCC(CC)Nc1ncnc(C)c1C 881739559 583446923 /nfs/dbraw/zinc/44/69/23/583446923.db2.gz IVKKXADCYNNCFM-UHFFFAOYSA-N 0 0 193.294 2.694 10 0 AFAERN Cc1ncnc(NCCC(C)C)c1C 881737255 583446926 /nfs/dbraw/zinc/44/69/26/583446926.db2.gz VTEGLSJOKQVGMU-UHFFFAOYSA-N 0 0 193.294 2.551 10 0 AFAERN C=C/C=C/CCSc1nccn1C 882036418 583448901 /nfs/dbraw/zinc/44/89/01/583448901.db2.gz AGKSYAKVYZSICK-SNAWJCMRSA-N 0 0 194.303 2.645 10 0 AFAERN C=C/C=C\CCSc1nccn1C 882036417 583448927 /nfs/dbraw/zinc/44/89/27/583448927.db2.gz AGKSYAKVYZSICK-PLNGDYQASA-N 0 0 194.303 2.645 10 0 AFAERN C=C/C=C/CCS[C@@H](C)C(C)=O 882134092 583449480 /nfs/dbraw/zinc/44/94/80/583449480.db2.gz BYRDKYLMANEGOO-PORFMDCZSA-N 0 0 184.304 2.829 10 0 AFAERN CCOCCSCC(F)(F)CC 882134773 583449523 /nfs/dbraw/zinc/44/95/23/583449523.db2.gz RVQSJQAYRLCCDT-UHFFFAOYSA-N 0 0 198.278 2.801 10 0 AFAERN C=C/C=C\CCS[C@H](C)C(C)=O 882134093 583449612 /nfs/dbraw/zinc/44/96/12/583449612.db2.gz BYRDKYLMANEGOO-WWQCOOJYSA-N 0 0 184.304 2.829 10 0 AFAERN C=C/C=C/CCS[C@H](C)C(C)=O 882134090 583449654 /nfs/dbraw/zinc/44/96/54/583449654.db2.gz BYRDKYLMANEGOO-BRAIEQGRSA-N 0 0 184.304 2.829 10 0 AFAERN C=C/C=C\CCS[C@@H](C)C(C)=O 882134091 583449763 /nfs/dbraw/zinc/44/97/63/583449763.db2.gz BYRDKYLMANEGOO-OMMCCPJFSA-N 0 0 184.304 2.829 10 0 AFAERN Cc1ccc2c(c1Cl)NCC2 212313631 583453013 /nfs/dbraw/zinc/45/30/13/583453013.db2.gz MNYOLJZWIVNBBB-UHFFFAOYSA-N 0 0 167.639 2.616 10 0 AFAERN CC(=O)OCC/C=C\c1ccccc1 212679122 583454698 /nfs/dbraw/zinc/45/46/98/583454698.db2.gz PGAUEKAFLZZAMS-UITAMQMPSA-N 0 0 190.242 2.653 10 0 AFAERN CCC/C=C\COC(=O)C(C)C 25695850 583456091 /nfs/dbraw/zinc/45/60/91/583456091.db2.gz DSFNTAVCWZDPEB-SREVYHEPSA-N 0 0 170.252 2.542 10 0 AFAERN FC(F)c1ccc(Br)o1 213992923 583461229 /nfs/dbraw/zinc/46/12/29/583461229.db2.gz CGFJRISROXYERW-UHFFFAOYSA-N 0 0 196.978 2.980 10 0 AFAERN Cc1cc(N[C@H](C)C2CC2)cnc1C 883340950 583464047 /nfs/dbraw/zinc/46/40/47/583464047.db2.gz DJAFHOOWEGWMRW-SNVBAGLBSA-N 0 0 190.290 2.909 10 0 AFAERN Cc1cc(N[C@H]2CC[C@H]2C)cnc1C 883342988 583464148 /nfs/dbraw/zinc/46/41/48/583464148.db2.gz VMGICKPBEMNMOM-PELKAZGASA-N 0 0 190.290 2.909 10 0 AFAERN Cc1cc(N[C@H]2CC[C@@H]2C)cnc1C 883342991 583464438 /nfs/dbraw/zinc/46/44/38/583464438.db2.gz VMGICKPBEMNMOM-UFBFGSQYSA-N 0 0 190.290 2.909 10 0 AFAERN CC[C@@H](C)Nc1cnc(C)c(C)c1 883341338 583464453 /nfs/dbraw/zinc/46/44/53/583464453.db2.gz NROCYTAIDOQVNT-SECBINFHSA-N 0 0 178.279 2.909 10 0 AFAERN Cc1cc(NCC2CC2)cnc1C 883342432 583464493 /nfs/dbraw/zinc/46/44/93/583464493.db2.gz XMDNCMAGBKBJOT-UHFFFAOYSA-N 0 0 176.263 2.520 10 0 AFAERN Cc1cc(N[C@@H]2CC[C@@H]2C)cnc1C 883342990 583464569 /nfs/dbraw/zinc/46/45/69/583464569.db2.gz VMGICKPBEMNMOM-QPUJVOFHSA-N 0 0 190.290 2.909 10 0 AFAERN Cc1cc(N[C@@H](C)C2CC2)cnc1C 883340949 583464765 /nfs/dbraw/zinc/46/47/65/583464765.db2.gz DJAFHOOWEGWMRW-JTQLQIEISA-N 0 0 190.290 2.909 10 0 AFAERN Cc1cc(N[C@@H]2CC[C@H]2C)cnc1C 883342989 583464822 /nfs/dbraw/zinc/46/48/22/583464822.db2.gz VMGICKPBEMNMOM-PRHODGIISA-N 0 0 190.290 2.909 10 0 AFAERN CC[C@H](C)Nc1cnc(C)c(C)c1 883341339 583465026 /nfs/dbraw/zinc/46/50/26/583465026.db2.gz NROCYTAIDOQVNT-VIFPVBQESA-N 0 0 178.279 2.909 10 0 AFAERN C=C/C=C/CCOC(=O)CC(C)C 883938399 583471207 /nfs/dbraw/zinc/47/12/07/583471207.db2.gz GMISFLFAWCNMIF-AATRIKPKSA-N 0 0 182.263 2.708 10 0 AFAERN C=C/C=C\CCOC(=O)[C@@H](C)CC 883944331 583471366 /nfs/dbraw/zinc/47/13/66/583471366.db2.gz GZUCMAYELZUHKF-GFVADAIESA-N 0 0 182.263 2.708 10 0 AFAERN C=C/C=C\CCOC(=O)[C@H](C)CC 883944332 583471432 /nfs/dbraw/zinc/47/14/32/583471432.db2.gz GZUCMAYELZUHKF-JYESYGNLSA-N 0 0 182.263 2.708 10 0 AFAERN C=C/C=C/CCOC(=O)[C@H](C)CC 883944333 583471611 /nfs/dbraw/zinc/47/16/11/583471611.db2.gz GZUCMAYELZUHKF-VQCYPWCPSA-N 0 0 182.263 2.708 10 0 AFAERN C=C/C=C\CCOC(=O)CC(C)C 883938400 583471713 /nfs/dbraw/zinc/47/17/13/583471713.db2.gz GMISFLFAWCNMIF-WAYWQWQTSA-N 0 0 182.263 2.708 10 0 AFAERN CCCC/C(=C/C(=O)OC)CC 133891048 583473341 /nfs/dbraw/zinc/47/33/41/583473341.db2.gz YZHBTJZVDGNFMS-CMDGGOBGSA-N 0 0 170.252 2.686 10 0 AFAERN COC(=O)/C=C1/CC[C@@H](C)C[C@@H]1C 133860522 583473508 /nfs/dbraw/zinc/47/35/08/583473508.db2.gz OOZXUXFHMCBMTA-GYDIXIQSSA-N 0 0 182.263 2.542 10 0 AFAERN COC(=O)/C=C(/C)c1cccc(C)c1 133847740 583473586 /nfs/dbraw/zinc/47/35/86/583473586.db2.gz DWPJPIODXCJKPO-NTMALXAHSA-N 0 0 190.242 2.571 10 0 AFAERN CCCCCCc1[nH]nc(N)c1CC 133751559 583473963 /nfs/dbraw/zinc/47/39/63/583473963.db2.gz YDCVDTAGSULTNK-UHFFFAOYSA-N 0 0 195.310 2.677 10 0 AFAERN CC/C(=C\C(=O)OC)C[C@@H](C)CC 133885871 583474003 /nfs/dbraw/zinc/47/40/03/583474003.db2.gz MKYPWYJNFXCNKN-WKMLFNHBSA-N 0 0 184.279 2.932 10 0 AFAERN COC(=O)/C=C1/CCC[C@@H](C)CC1 133877572 583474096 /nfs/dbraw/zinc/47/40/96/583474096.db2.gz DMVICJZPKISGRG-URLRMUCDSA-N 0 0 182.263 2.686 10 0 AFAERN COC(=O)/C=C1/CC[C@H](C)C[C@H]1C 133860299 583474138 /nfs/dbraw/zinc/47/41/38/583474138.db2.gz OOZXUXFHMCBMTA-WQHZVDDGSA-N 0 0 182.263 2.542 10 0 AFAERN COC(=O)/C=C(/C)c1sccc1C 133842852 583474157 /nfs/dbraw/zinc/47/41/57/583474157.db2.gz BAAUTKLKJZCMLX-VURMDHGXSA-N 0 0 196.271 2.633 10 0 AFAERN COC(=O)/C=C1/CCC[C@H](C)CC1 133877792 583474223 /nfs/dbraw/zinc/47/42/23/583474223.db2.gz DMVICJZPKISGRG-CUQRQBARSA-N 0 0 182.263 2.686 10 0 AFAERN COC(=O)/C=C1/CC[C@@H](C)C[C@H]1C 133860070 583474240 /nfs/dbraw/zinc/47/42/40/583474240.db2.gz OOZXUXFHMCBMTA-NLSNDTQJSA-N 0 0 182.263 2.542 10 0 AFAERN CC/C(=C\C(=O)OC)C[C@H](C)CC 133885651 583474260 /nfs/dbraw/zinc/47/42/60/583474260.db2.gz MKYPWYJNFXCNKN-NCXKZPMSSA-N 0 0 184.279 2.932 10 0 AFAERN C/C=C(/C=C\C(=O)N1CCCC1)CC 215107442 583476535 /nfs/dbraw/zinc/47/65/35/583476535.db2.gz GSQJUNVZVNNWOC-BTMWQIBTSA-N 0 0 193.290 2.521 10 0 AFAERN C=C/C=C\CCNc1ncc(C)o1 884580457 583480838 /nfs/dbraw/zinc/48/08/38/583480838.db2.gz CWAGGPBAIGCTMC-PLNGDYQASA-N 0 0 178.235 2.527 10 0 AFAERN C=C/C=C/CCNc1ncc(C)o1 884580458 583481260 /nfs/dbraw/zinc/48/12/60/583481260.db2.gz CWAGGPBAIGCTMC-SNAWJCMRSA-N 0 0 178.235 2.527 10 0 AFAERN F[C@@H]1CCCC[C@@H]1Nc1ccccn1 216150730 583483682 /nfs/dbraw/zinc/48/36/82/583483682.db2.gz UXNVKBGQKIBEHN-ZJUUUORDSA-N 0 0 194.253 2.774 10 0 AFAERN CC(C)=CCOC(=O)c1cc(C)co1 884710207 583484029 /nfs/dbraw/zinc/48/40/29/583484029.db2.gz BVPSVJYHLRTHIA-UHFFFAOYSA-N 0 0 194.230 2.711 10 0 AFAERN Cc1coc(C(=O)OCCC2CC2)c1 884710364 583484145 /nfs/dbraw/zinc/48/41/45/583484145.db2.gz HCNGIRUFJZYHML-UHFFFAOYSA-N 0 0 194.230 2.545 10 0 AFAERN CSCCSC(F)(F)F 216611200 583485555 /nfs/dbraw/zinc/48/55/55/583485555.db2.gz YJQGOCGCJBZRMQ-UHFFFAOYSA-N 0 0 176.228 2.602 10 0 AFAERN CC/C=C(\C)C(=O)O[C@H](C)C(C)C 216731149 583486386 /nfs/dbraw/zinc/48/63/86/583486386.db2.gz PISHAXYGMUZIKN-TTZKWOQHSA-N 0 0 184.279 2.930 10 0 AFAERN O=C(c1ccccc1)C1C=CC=C1 135923591 583487329 /nfs/dbraw/zinc/48/73/29/583487329.db2.gz ADBQQKSRZWDHFY-UHFFFAOYSA-N 0 0 170.211 2.612 10 0 AFAERN CCC(CC)OC(=O)C1(C2CC2)CC1 885732511 583487803 /nfs/dbraw/zinc/48/78/03/583487803.db2.gz WDGDYYFUZZPOGC-UHFFFAOYSA-N 0 0 196.290 2.908 10 0 AFAERN CC(C)CC(=O)Oc1ccccc1 1605493 583487912 /nfs/dbraw/zinc/48/79/12/583487912.db2.gz GBXSANZZKSPQKM-UHFFFAOYSA-N 0 0 178.231 2.638 10 0 AFAERN CCON(CC)CC[C@@H]1C[C@H]1C1CC1 886311748 583494874 /nfs/dbraw/zinc/49/48/74/583494874.db2.gz FJHSMZVNRTVRCH-NEPJUHHUSA-N 0 0 197.322 2.696 10 0 AFAERN CCC[C@@H](C)C(=O)OCC(F)(F)F 219181377 583497277 /nfs/dbraw/zinc/49/72/77/583497277.db2.gz ALFUWDMYRHRIRG-ZCFIWIBFSA-N 0 0 198.184 2.528 10 0 AFAERN CCCC(=O)OC1(C)CCCC1 220416328 583500350 /nfs/dbraw/zinc/50/03/50/583500350.db2.gz RSIFJYWOPBPQEO-UHFFFAOYSA-N 0 0 170.252 2.662 10 0 AFAERN CC(C)OC(=O)/C=C/c1ccsc1 138638152 583500500 /nfs/dbraw/zinc/50/05/00/583500500.db2.gz IAXUGGNDPQJVSM-ONEGZZNKSA-N 0 0 196.271 2.713 10 0 AFAERN CCC/C=C/COC(=O)C=C(C)C 138820711 583501642 /nfs/dbraw/zinc/50/16/42/583501642.db2.gz RZYWBFPOMNLVIR-VOTSOKGWSA-N 0 0 182.263 2.852 10 0 AFAERN CC(=O)OC[C@H](C)CC(C)(C)C 138843232 583501825 /nfs/dbraw/zinc/50/18/25/583501825.db2.gz VCSSZPFJAXWTBM-MRVPVSSYSA-N 0 0 172.268 2.622 10 0 AFAERN C/C=C(/C)C(=O)O[C@@H](CC)C(C)C 220826175 583502499 /nfs/dbraw/zinc/50/24/99/583502499.db2.gz BZORYHJHTCAQMI-MBACFSSFSA-N 0 0 184.279 2.930 10 0 AFAERN C/C=C(/C)C(=O)O[C@H](CC)C(C)C 220826299 583503003 /nfs/dbraw/zinc/50/30/03/583503003.db2.gz BZORYHJHTCAQMI-ABRRARGCSA-N 0 0 184.279 2.930 10 0 AFAERN CCC(CC)C(=O)OCC(F)(F)F 220908364 583504416 /nfs/dbraw/zinc/50/44/16/583504416.db2.gz NGQYXEZAUNNUCE-UHFFFAOYSA-N 0 0 198.184 2.528 10 0 AFAERN CC(=O)Oc1cccc(C)c1Cl 221564873 583504974 /nfs/dbraw/zinc/50/49/74/583504974.db2.gz DAZPBWZZDQHSOB-UHFFFAOYSA-N 0 0 184.622 2.574 10 0 AFAERN CCCCCC(=O)OC[C@H]1C[C@H]1C 221565821 583505091 /nfs/dbraw/zinc/50/50/91/583505091.db2.gz GWAWGFHBVXVAPN-NXEZZACHSA-N 0 0 184.279 2.766 10 0 AFAERN CCCCCC(=O)OC[C@@H]1C[C@@H]1C 221565650 583505161 /nfs/dbraw/zinc/50/51/61/583505161.db2.gz GWAWGFHBVXVAPN-UWVGGRQHSA-N 0 0 184.279 2.766 10 0 AFAERN CC[C@@H](C)C(=O)OCC(C)(C)C 140433918 583507191 /nfs/dbraw/zinc/50/71/91/583507191.db2.gz NBTQYNGTWJIMPA-MRVPVSSYSA-N 0 0 172.268 2.622 10 0 AFAERN CC[C@H](C)C(=O)OCC(C)(C)C 140434097 583507309 /nfs/dbraw/zinc/50/73/09/583507309.db2.gz NBTQYNGTWJIMPA-QMMMGPOBSA-N 0 0 172.268 2.622 10 0 AFAERN CC(C)(C)CC(=O)OCC(F)(F)F 222159114 583507487 /nfs/dbraw/zinc/50/74/87/583507487.db2.gz JROOVBJVCOKXHT-UHFFFAOYSA-N 0 0 198.184 2.528 10 0 AFAERN c1sc(NC2CC2)nc1C1CC1 61877215 490016351 /nfs/dbraw/zinc/01/63/51/490016351.db2.gz SRHGZSILCOCRPO-UHFFFAOYSA-N 0 0 180.276 2.595 10 0 AFAERN CCCCNc1nc(C(C)=O)cs1 71507725 490020245 /nfs/dbraw/zinc/02/02/45/490020245.db2.gz UJYWGFKLQGEVFH-UHFFFAOYSA-N 0 0 198.291 2.558 10 0 AFAERN Cc1cccc(NC2CSC2)c1C 75121290 490022481 /nfs/dbraw/zinc/02/24/81/490022481.db2.gz HLMAPZKVOLGPFO-UHFFFAOYSA-N 0 0 193.315 2.831 10 0 AFAERN CCCCNc1nnc(C(C)C)s1 75825085 490022660 /nfs/dbraw/zinc/02/26/60/490022660.db2.gz LFOWCFOIQICFEP-UHFFFAOYSA-N 0 0 199.323 2.874 10 0 AFAERN CCc1ccc(NC2CSC2)cc1 75121286 490022698 /nfs/dbraw/zinc/02/26/98/490022698.db2.gz CNDJOKYIRNOLTO-UHFFFAOYSA-N 0 0 193.315 2.776 10 0 AFAERN CCc1ccccc1NC1CSC1 75121288 490022713 /nfs/dbraw/zinc/02/27/13/490022713.db2.gz VNIHQQIBLMYTKZ-UHFFFAOYSA-N 0 0 193.315 2.776 10 0 AFAERN CC(C)CNc1nnc(C(C)C)s1 75825551 490022764 /nfs/dbraw/zinc/02/27/64/490022764.db2.gz FWXUUAUIKFETQR-UHFFFAOYSA-N 0 0 199.323 2.729 10 0 AFAERN Cc1cccc(NC2CSC2)c1 76603611 490023119 /nfs/dbraw/zinc/02/31/19/490023119.db2.gz NCJRGLRHEAQARB-UHFFFAOYSA-N 0 0 179.288 2.522 10 0 AFAERN Cc1ccc(C)c(NC2CSC2)c1 76635958 490023310 /nfs/dbraw/zinc/02/33/10/490023310.db2.gz IWIGVTCELAJASC-UHFFFAOYSA-N 0 0 193.315 2.831 10 0 AFAERN Cc1cc(C)cc(NC2CSC2)c1 76635955 490023330 /nfs/dbraw/zinc/02/33/30/490023330.db2.gz NUKPNVHGMIQQGB-UHFFFAOYSA-N 0 0 193.315 2.831 10 0 AFAERN CCOCCOc1ccc(F)c(C)c1 126754320 490038626 /nfs/dbraw/zinc/03/86/26/490038626.db2.gz GGMLIDBFCGYHPJ-UHFFFAOYSA-N 0 0 198.237 2.549 10 0 AFAERN CCOCCOc1ccc(F)cc1C 126867660 490039818 /nfs/dbraw/zinc/03/98/18/490039818.db2.gz AFCGAROWPJVSIY-UHFFFAOYSA-N 0 0 198.237 2.549 10 0 AFAERN Fc1cccnc1NCCCC1CC1 129847253 490054121 /nfs/dbraw/zinc/05/41/21/490054121.db2.gz SICLFVDRJOFHJS-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN COC(=O)CC/C=C\c1ccccc1 199461423 490063353 /nfs/dbraw/zinc/06/33/53/490063353.db2.gz UVUIVBGAUNLGSR-UITAMQMPSA-N 0 0 190.242 2.653 10 0 AFAERN CCc1ccc(-c2ccn(C)n2)cc1 204862108 490065054 /nfs/dbraw/zinc/06/50/54/490065054.db2.gz HPIYICMHNJOHKY-UHFFFAOYSA-N 0 0 186.258 2.650 10 0 AFAERN CC(C)C(C)(C)CNc1cccnn1 218911073 490070665 /nfs/dbraw/zinc/07/06/65/490070665.db2.gz ZVWHWIAXBFTDFI-UHFFFAOYSA-N 0 0 193.294 2.571 10 0 AFAERN CC1(CNc2ccc(F)cn2)CCC1 219508169 490073645 /nfs/dbraw/zinc/07/36/45/490073645.db2.gz ARCNDAUBVSFMAF-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN CC[C@H](C)CNc1ccc(OC)cn1 221322795 490079174 /nfs/dbraw/zinc/07/91/74/490079174.db2.gz NUIOROQGTRMLCU-VIFPVBQESA-N 0 0 194.278 2.548 10 0 AFAERN CC[C@@H](C)CNc1ccc(OC)cn1 221322738 490079594 /nfs/dbraw/zinc/07/95/94/490079594.db2.gz NUIOROQGTRMLCU-SECBINFHSA-N 0 0 194.278 2.548 10 0 AFAERN CCC[C@@H]1C[C@@H]1Nc1ccc(F)cn1 300374185 490097739 /nfs/dbraw/zinc/09/77/39/490097739.db2.gz BKVKVFNBYHEXGZ-SCZZXKLOSA-N 0 0 194.253 2.821 10 0 AFAERN CCC(=O)Nc1ccc(C)c(CC)c1 300770671 490101318 /nfs/dbraw/zinc/10/13/18/490101318.db2.gz GIRNNRAFUDCCPO-UHFFFAOYSA-N 0 0 191.274 2.906 10 0 AFAERN CC(C)CNc1cn(C)nc1C(C)C 300850619 490105851 /nfs/dbraw/zinc/10/58/51/490105851.db2.gz LTDFTPZEWRVONK-UHFFFAOYSA-N 0 0 195.310 2.611 10 0 AFAERN CCn1ccc(N[C@@H](C)CC(C)C)n1 300901910 490108350 /nfs/dbraw/zinc/10/83/50/490108350.db2.gz QGAAPPSNCKIESP-JTQLQIEISA-N 0 0 195.310 2.750 10 0 AFAERN CCn1ccc(N[C@H](C)CC(C)C)n1 300901912 490108568 /nfs/dbraw/zinc/10/85/68/490108568.db2.gz QGAAPPSNCKIESP-SNVBAGLBSA-N 0 0 195.310 2.750 10 0 AFAERN Cc1ccnc(N[C@@H]2C[C@@H](C)[C@H]2C)c1 306517949 490122391 /nfs/dbraw/zinc/12/23/91/490122391.db2.gz CSNIAQASXOADEU-GMTAPVOTSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccnc(N[C@@H]2C[C@@H](C)[C@@H]2C)c1 306517951 490122494 /nfs/dbraw/zinc/12/24/94/490122494.db2.gz CSNIAQASXOADEU-OUAUKWLOSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccnc(N[C@@H]2C[C@H](C)[C@H]2C)c1 306517950 490122846 /nfs/dbraw/zinc/12/28/46/490122846.db2.gz CSNIAQASXOADEU-HBNTYKKESA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ccnc(N[C@@H]2C[C@H](C)[C@@H]2C)c1 306517948 490122911 /nfs/dbraw/zinc/12/29/11/490122911.db2.gz CSNIAQASXOADEU-GARJFASQSA-N 0 0 190.290 2.846 10 0 AFAERN CCn1ccc(NCC2(C)CCC2)n1 307373100 490131974 /nfs/dbraw/zinc/13/19/74/490131974.db2.gz WFXVKZDQEQECNJ-UHFFFAOYSA-N 0 0 193.294 2.505 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc([C@H]2C[C@H]2C)no1 351089897 490137216 /nfs/dbraw/zinc/13/72/16/490137216.db2.gz YWDVRPMQGGWRDX-LURQLKTLSA-N 0 0 192.262 2.707 10 0 AFAERN CC(C)CCCc1nc(C2CC2)no1 351055941 490137257 /nfs/dbraw/zinc/13/72/57/490137257.db2.gz VFZBAWNOVSUYHS-UHFFFAOYSA-N 0 0 194.278 2.926 10 0 AFAERN Cc1noc(C2=CCC(C)(C)CC2)n1 351065539 490137422 /nfs/dbraw/zinc/13/74/22/490137422.db2.gz PTWCTPUDUIGSHL-UHFFFAOYSA-N 0 0 192.262 2.972 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc([C@H]2C[C@@H]2C)no1 351089898 490137439 /nfs/dbraw/zinc/13/74/39/490137439.db2.gz YWDVRPMQGGWRDX-UYXSQOIJSA-N 0 0 192.262 2.707 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc([C@@H]2C[C@H]2C)no1 351089895 490137564 /nfs/dbraw/zinc/13/75/64/490137564.db2.gz YWDVRPMQGGWRDX-FNCVBFRFSA-N 0 0 192.262 2.707 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc([C@@H]2C[C@@H]2C)no1 351089896 490137661 /nfs/dbraw/zinc/13/76/61/490137661.db2.gz YWDVRPMQGGWRDX-JQCXWYLXSA-N 0 0 192.262 2.707 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc(CC(C)C)no1 351048568 490137699 /nfs/dbraw/zinc/13/76/99/490137699.db2.gz AWLIJZMPHCMNJZ-RKDXNWHRSA-N 0 0 194.278 2.782 10 0 AFAERN CC[C@@H]1C[C@H]1c1nc(CC2CC2)no1 351056047 490137728 /nfs/dbraw/zinc/13/77/28/490137728.db2.gz KEOSXDLYRZPWFJ-RKDXNWHRSA-N 0 0 192.262 2.536 10 0 AFAERN CCCC(=O)N(C)C[C@H]1CC=CCC1 402721929 490148023 /nfs/dbraw/zinc/14/80/23/490148023.db2.gz KXNHSKMYESGPCH-NSHDSACASA-N 0 0 195.306 2.601 10 0 AFAERN CCCC(=O)N(C)C[C@@H]1CC=CCC1 402721928 490148054 /nfs/dbraw/zinc/14/80/54/490148054.db2.gz KXNHSKMYESGPCH-LLVKDONJSA-N 0 0 195.306 2.601 10 0 AFAERN CC(C)C1=N[C@@H]1c1ccc(F)cc1 584623518 490153910 /nfs/dbraw/zinc/15/39/10/490153910.db2.gz YWNPMSFMJJSEBN-LLVKDONJSA-N 0 0 177.222 2.977 10 0 AFAERN Oc1c(F)ccc2c(F)cccc12 584623613 490154008 /nfs/dbraw/zinc/15/40/08/490154008.db2.gz UBTDMWOLYNERBZ-UHFFFAOYSA-N 0 0 180.153 2.824 10 0 AFAERN CC(C)C1=N[C@H]1c1ccc(F)cc1 584623520 490154042 /nfs/dbraw/zinc/15/40/42/490154042.db2.gz YWNPMSFMJJSEBN-NSHDSACASA-N 0 0 177.222 2.977 10 0 AFAERN CO/C=C/CCCc1ccccc1O 584623550 490154063 /nfs/dbraw/zinc/15/40/63/490154063.db2.gz ZYWNKPWPRQYAJE-UXBLZVDNSA-N 0 0 192.258 2.875 10 0 AFAERN O=COc1ccccc1C1=CCCC1 584623525 490154191 /nfs/dbraw/zinc/15/41/91/490154191.db2.gz YBLNPPDYBJSAOJ-UHFFFAOYSA-N 0 0 188.226 2.789 10 0 AFAERN Cc1ccc(C2=COCOCC2)cc1 584639600 490155545 /nfs/dbraw/zinc/15/55/45/490155545.db2.gz POWDUNCWYXDXNM-UHFFFAOYSA-N 0 0 190.242 2.730 10 0 AFAERN CCC[C@@H](C)OC(=O)/C=C\C(C)C 379402925 697877437 /nfs/dbraw/zinc/87/74/37/697877437.db2.gz OCVXGPPPHLFOJY-GQYWMQPJSA-N 0 0 184.279 2.930 10 0 AFAERN CCC[C@@H](CC)OC(=O)C1CCC1 388297858 697951340 /nfs/dbraw/zinc/95/13/40/697951340.db2.gz MCJLGMIDJYAYCI-SNVBAGLBSA-N 0 0 184.279 2.908 10 0 AFAERN CC/C=C(/C)C(=O)OCC=C(C)C 393705735 698022774 /nfs/dbraw/zinc/02/27/74/698022774.db2.gz FREYLLZCKONHPQ-POHAHGRESA-N 0 0 182.263 2.852 10 0 AFAERN COc1cc(C)nc2c(C)cccc12 82788901 491022746 /nfs/dbraw/zinc/02/27/46/491022746.db2.gz UQUDNDMHTNCYCB-UHFFFAOYSA-N 0 0 187.242 2.860 10 0 AFAERN COCCCOc1cc(C)ccc1F 82940189 491022937 /nfs/dbraw/zinc/02/29/37/491022937.db2.gz HERTYAWSDLRSJT-UHFFFAOYSA-N 0 0 198.237 2.549 10 0 AFAERN CC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 34455329 491021106 /nfs/dbraw/zinc/02/11/06/491021106.db2.gz UVQPZSDCJPBVBZ-YUSALJHKSA-N 0 0 197.322 2.583 10 0 AFAERN CC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 34455330 491021127 /nfs/dbraw/zinc/02/11/27/491021127.db2.gz UVQPZSDCJPBVBZ-MVWJERBFSA-N 0 0 197.322 2.583 10 0 AFAERN CC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 34455332 491021136 /nfs/dbraw/zinc/02/11/36/491021136.db2.gz UVQPZSDCJPBVBZ-ZMLRMANQSA-N 0 0 197.322 2.583 10 0 AFAERN CC(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C 34455331 491021166 /nfs/dbraw/zinc/02/11/66/491021166.db2.gz UVQPZSDCJPBVBZ-ADEWGFFLSA-N 0 0 197.322 2.583 10 0 AFAERN CCCCCn1ccnc1CC 82615364 491022297 /nfs/dbraw/zinc/02/22/97/491022297.db2.gz BSIUGCQYCMJCRJ-UHFFFAOYSA-N 0 0 166.268 2.636 10 0 AFAERN CC(C)[C@H](C)CNc1ccc(F)cn1 81070033 491021532 /nfs/dbraw/zinc/02/15/32/491021532.db2.gz LHPDGKWQVYFNFI-SECBINFHSA-N 0 0 196.269 2.925 10 0 AFAERN CC(C)[C@@H](C)CNc1ncccc1F 81070256 491021572 /nfs/dbraw/zinc/02/15/72/491021572.db2.gz UOXCYUFGSFEPAA-VIFPVBQESA-N 0 0 196.269 2.925 10 0 AFAERN CC(C)[C@H](C)CNc1ncccc1F 81070258 491021592 /nfs/dbraw/zinc/02/15/92/491021592.db2.gz UOXCYUFGSFEPAA-SECBINFHSA-N 0 0 196.269 2.925 10 0 AFAERN CC(C)[C@@H](C)CNc1ccc(F)cn1 81070030 491021617 /nfs/dbraw/zinc/02/16/17/491021617.db2.gz LHPDGKWQVYFNFI-VIFPVBQESA-N 0 0 196.269 2.925 10 0 AFAERN Cc1sc(NC2CC2)nc1C1CC1 83053840 491023232 /nfs/dbraw/zinc/02/32/32/491023232.db2.gz ZZSUZJXVFHTDSJ-UHFFFAOYSA-N 0 0 194.303 2.903 10 0 AFAERN Cc1nc(N[C@@H]2CC2(C)C)sc1C 83532856 491024592 /nfs/dbraw/zinc/02/45/92/491024592.db2.gz VXUUEZAILPWNTA-MRVPVSSYSA-N 0 0 196.319 2.970 10 0 AFAERN Cc1nc(N[C@H]2C[C@H]2C)sc1C 83532886 491024605 /nfs/dbraw/zinc/02/46/05/491024605.db2.gz DSWLJNWBXSPXFA-XRGYYRRGSA-N 0 0 182.292 2.580 10 0 AFAERN Cc1nc(N[C@H]2C[C@@H]2C)sc1C 83532884 491024654 /nfs/dbraw/zinc/02/46/54/491024654.db2.gz DSWLJNWBXSPXFA-XNCJUZBTSA-N 0 0 182.292 2.580 10 0 AFAERN Cc1nc(N[C@@H]2C[C@@H]2C)sc1C 83532883 491024714 /nfs/dbraw/zinc/02/47/14/491024714.db2.gz DSWLJNWBXSPXFA-YLWLKBPMSA-N 0 0 182.292 2.580 10 0 AFAERN Cc1nc(N[C@@H]2C[C@H]2C)sc1C 83532885 491024718 /nfs/dbraw/zinc/02/47/18/491024718.db2.gz DSWLJNWBXSPXFA-SVGQVSJJSA-N 0 0 182.292 2.580 10 0 AFAERN CC(C)Cc1nsc(NC(C)C)n1 83646750 491024767 /nfs/dbraw/zinc/02/47/67/491024767.db2.gz PKOQIHVBOADPRO-UHFFFAOYSA-N 0 0 199.323 2.557 10 0 AFAERN CCc1nsc(N[C@@H](C)C(C)C)n1 83652665 491024877 /nfs/dbraw/zinc/02/48/77/491024877.db2.gz GJGPZSOWXYMKHN-ZETCQYMHSA-N 0 0 199.323 2.557 10 0 AFAERN CCc1nsc(N[C@H](C)C(C)C)n1 83652668 491024938 /nfs/dbraw/zinc/02/49/38/491024938.db2.gz GJGPZSOWXYMKHN-SSDOTTSWSA-N 0 0 199.323 2.557 10 0 AFAERN Cc1cnc(C)c(NCC(C)(C)C)n1 83812833 491025084 /nfs/dbraw/zinc/02/50/84/491025084.db2.gz YFICJQBLAATXRF-UHFFFAOYSA-N 0 0 193.294 2.551 10 0 AFAERN CNc1c(C)cccc1Cl 83823623 491025189 /nfs/dbraw/zinc/02/51/89/491025189.db2.gz FWQUBKZCULDUQS-UHFFFAOYSA-N 0 0 155.628 2.690 10 0 AFAERN CCc1csc(NCCC2CC2)n1 83911009 491025733 /nfs/dbraw/zinc/02/57/33/491025733.db2.gz GNOTXOTYQJPPOT-UHFFFAOYSA-N 0 0 196.319 2.918 10 0 AFAERN CCNc1cncc(-c2ccccc2)n1 84027096 491026085 /nfs/dbraw/zinc/02/60/85/491026085.db2.gz HOWOUDNOKMRZDY-UHFFFAOYSA-N 0 0 199.257 2.575 10 0 AFAERN CC(C)N[C@@H](C(C)C)C(F)(F)F 84344060 491026502 /nfs/dbraw/zinc/02/65/02/491026502.db2.gz FPZGXWLDBMJLPA-ZETCQYMHSA-N 0 0 183.217 2.571 10 0 AFAERN C[C@@H]1C[C@@H]1Nc1ccncc1Cl 86831291 491029324 /nfs/dbraw/zinc/02/93/24/491029324.db2.gz ROSPZEFNVLVKMY-MUWHJKNJSA-N 0 0 182.654 2.555 10 0 AFAERN C[C@H]1C[C@H]1Nc1ccncc1Cl 86831294 491029343 /nfs/dbraw/zinc/02/93/43/491029343.db2.gz ROSPZEFNVLVKMY-IMTBSYHQSA-N 0 0 182.654 2.555 10 0 AFAERN CC1(C)C[C@H]1Nc1ccncc1Cl 86831238 491029349 /nfs/dbraw/zinc/02/93/49/491029349.db2.gz MYALFQVBWDQBIR-SECBINFHSA-N 0 0 196.681 2.945 10 0 AFAERN C[C@@H]1C[C@H]1Nc1ccncc1Cl 86831293 491029393 /nfs/dbraw/zinc/02/93/93/491029393.db2.gz ROSPZEFNVLVKMY-HZGVNTEJSA-N 0 0 182.654 2.555 10 0 AFAERN C[C@H]1C[C@@H]1Nc1ccncc1Cl 86831292 491029438 /nfs/dbraw/zinc/02/94/38/491029438.db2.gz ROSPZEFNVLVKMY-RCOVLWMOSA-N 0 0 182.654 2.555 10 0 AFAERN CC1(c2csc(NC3CC3)n2)CC1 87363235 491030887 /nfs/dbraw/zinc/03/08/87/491030887.db2.gz CELHQHWEXFKKTF-UHFFFAOYSA-N 0 0 194.303 2.769 10 0 AFAERN CCNc1cccc2ccncc12 87471333 491031102 /nfs/dbraw/zinc/03/11/02/491031102.db2.gz FFUILLRGSSTPBL-UHFFFAOYSA-N 0 0 172.231 2.667 10 0 AFAERN CCn1cc(N[C@H](C)C(C)(C)C)cn1 134361158 491038687 /nfs/dbraw/zinc/03/86/87/491038687.db2.gz FZWVZBZDFPYVLU-SECBINFHSA-N 0 0 195.310 2.750 10 0 AFAERN O=C1CCC[C@@H]2[C@H]1[C@H]1C=C[C@@H]2CC1 201691300 491040320 /nfs/dbraw/zinc/04/03/20/491040320.db2.gz JYNUEKHIJHFMJO-FYLLDIAZSA-N 0 0 176.259 2.568 10 0 AFAERN OCc1ccc(C(F)(F)C2CC2)cc1 203766556 491040396 /nfs/dbraw/zinc/04/03/96/491040396.db2.gz COAPLCUHDWUYJH-UHFFFAOYSA-N 0 0 198.212 2.681 10 0 AFAERN CC(C)[C@H](Nc1ccccn1)C1CC1 134145181 491038580 /nfs/dbraw/zinc/03/85/80/491038580.db2.gz UHYCNJHTUSEWMU-LBPRGKRZSA-N 0 0 190.290 2.928 10 0 AFAERN CC(C)[C@@H](Nc1ccccn1)C1CC1 134145397 491038610 /nfs/dbraw/zinc/03/86/10/491038610.db2.gz UHYCNJHTUSEWMU-GFCCVEGCSA-N 0 0 190.290 2.928 10 0 AFAERN CO[C@@H](C)[C@@H](C)Nc1cscc1C 134328836 491038669 /nfs/dbraw/zinc/03/86/69/491038669.db2.gz PMQNSPFBOSVXDZ-BDAKNGLRSA-N 0 0 199.319 2.892 10 0 AFAERN CC[C@@H](COC)Nc1cscc1C 134329655 491038707 /nfs/dbraw/zinc/03/87/07/491038707.db2.gz LWSCOVXFXYPZEJ-VIFPVBQESA-N 0 0 199.319 2.893 10 0 AFAERN CO[C@@H](C)[C@H](C)Nc1cscc1C 134328816 491038724 /nfs/dbraw/zinc/03/87/24/491038724.db2.gz PMQNSPFBOSVXDZ-IUCAKERBSA-N 0 0 199.319 2.892 10 0 AFAERN CCn1cc(N[C@@H](C)C(C)(C)C)cn1 134361138 491038762 /nfs/dbraw/zinc/03/87/62/491038762.db2.gz FZWVZBZDFPYVLU-VIFPVBQESA-N 0 0 195.310 2.750 10 0 AFAERN CO[C@H](C)[C@H](C)Nc1cscc1C 134328772 491038788 /nfs/dbraw/zinc/03/87/88/491038788.db2.gz PMQNSPFBOSVXDZ-DTWKUNHWSA-N 0 0 199.319 2.892 10 0 AFAERN FCCOc1ccc(Cl)c(F)c1 134226640 491038791 /nfs/dbraw/zinc/03/87/91/491038791.db2.gz BJHDBTDPOPKHMM-UHFFFAOYSA-N 0 0 192.592 2.827 10 0 AFAERN CO[C@H](C)[C@@H](C)Nc1cscc1C 134328795 491038804 /nfs/dbraw/zinc/03/88/04/491038804.db2.gz PMQNSPFBOSVXDZ-RKDXNWHRSA-N 0 0 199.319 2.892 10 0 AFAERN CC[C@H](COC)Nc1cscc1C 134329675 491038817 /nfs/dbraw/zinc/03/88/17/491038817.db2.gz LWSCOVXFXYPZEJ-SECBINFHSA-N 0 0 199.319 2.893 10 0 AFAERN CC[C@H](C)Nc1cnn(CC(C)C)c1 134366376 491038844 /nfs/dbraw/zinc/03/88/44/491038844.db2.gz GBFCSOIIJCJIEX-JTQLQIEISA-N 0 0 195.310 2.750 10 0 AFAERN CC[C@@H](C)Nc1cnn(CC(C)C)c1 134366361 491038907 /nfs/dbraw/zinc/03/89/07/491038907.db2.gz GBFCSOIIJCJIEX-SNVBAGLBSA-N 0 0 195.310 2.750 10 0 AFAERN Cc1ccc(SC[C@H](C)CO)cc1 136712450 491039802 /nfs/dbraw/zinc/03/98/02/491039802.db2.gz AQEMIRBTSZWWOG-SNVBAGLBSA-N 0 0 196.315 2.716 10 0 AFAERN Cc1ccc(SC[C@@H](C)CO)cc1 136712413 491039813 /nfs/dbraw/zinc/03/98/13/491039813.db2.gz AQEMIRBTSZWWOG-JTQLQIEISA-N 0 0 196.315 2.716 10 0 AFAERN C=C/C=C/[Si](C)(C)C 196006349 491040124 /nfs/dbraw/zinc/04/01/24/491040124.db2.gz YFSJFUCGCAQAJA-VOTSOKGWSA-N 0 0 126.275 2.606 10 0 AFAERN CN(C)c1ccc(-c2cc[nH]c2)cc1 196135128 491040127 /nfs/dbraw/zinc/04/01/27/491040127.db2.gz WOOYRJOBESOHOU-UHFFFAOYSA-N 0 0 186.258 2.748 10 0 AFAERN CCOC(=O)[C@@H]1CCC(C)=C(C)C1 196867118 491040174 /nfs/dbraw/zinc/04/01/74/491040174.db2.gz CJSOUBAJNQWXQT-SNVBAGLBSA-N 0 0 182.263 2.686 10 0 AFAERN CC1(C)OC[C@](C)(c2ccccc2)O1 196863141 491040175 /nfs/dbraw/zinc/04/01/75/491040175.db2.gz KSHDJWPUTUTMLY-GFCCVEGCSA-N 0 0 192.258 2.685 10 0 AFAERN CCOC(=O)[C@H]1CCC(C)=C(C)C1 196867131 491040176 /nfs/dbraw/zinc/04/01/76/491040176.db2.gz CJSOUBAJNQWXQT-JTQLQIEISA-N 0 0 182.263 2.686 10 0 AFAERN C/C=C\c1cc(C)c(O)c(OC)c1 199870215 491040184 /nfs/dbraw/zinc/04/01/84/491040184.db2.gz WNRFSDIWIBKOKJ-PLNGDYQASA-N 0 0 178.231 2.742 10 0 AFAERN FCCCCOc1ccccc1F 223310381 491041284 /nfs/dbraw/zinc/04/12/84/491041284.db2.gz CLUGFUVJIKTIKD-UHFFFAOYSA-N 0 0 186.201 2.954 10 0 AFAERN CCc1ccc(NC)cc1CC 225311427 491042191 /nfs/dbraw/zinc/04/21/91/491042191.db2.gz FFVCHDAOYCUVPG-UHFFFAOYSA-N 0 0 163.264 2.853 10 0 AFAERN CCC[C@@H](C)Nc1ccc(OC)cn1 225834001 491042321 /nfs/dbraw/zinc/04/23/21/491042321.db2.gz YROLOUXOOGFMPB-SECBINFHSA-N 0 0 194.278 2.691 10 0 AFAERN CCC[C@H](C)Nc1ccc(OC)cn1 225834017 491042332 /nfs/dbraw/zinc/04/23/32/491042332.db2.gz YROLOUXOOGFMPB-VIFPVBQESA-N 0 0 194.278 2.691 10 0 AFAERN COc1ccc(NCC(C)(C)C)nc1 225893714 491042336 /nfs/dbraw/zinc/04/23/36/491042336.db2.gz KUDDYAVVXBTTMP-UHFFFAOYSA-N 0 0 194.278 2.548 10 0 AFAERN COc1ccc(N[C@H](C)C(C)C)nc1 225834410 491042350 /nfs/dbraw/zinc/04/23/50/491042350.db2.gz GMLRWMFOZPWSGF-SECBINFHSA-N 0 0 194.278 2.547 10 0 AFAERN COc1ccc(N[C@@H](C)C(C)C)nc1 225834390 491042359 /nfs/dbraw/zinc/04/23/59/491042359.db2.gz GMLRWMFOZPWSGF-VIFPVBQESA-N 0 0 194.278 2.547 10 0 AFAERN CCC[C@@H]1C[C@@H]1Nc1cccc(C)n1 227000272 491043065 /nfs/dbraw/zinc/04/30/65/491043065.db2.gz AASHHTOSCHKOBO-MNOVXSKESA-N 0 0 190.290 2.991 10 0 AFAERN CCC[C@@H]1C[C@H]1Nc1cccc(C)n1 227000287 491043078 /nfs/dbraw/zinc/04/30/78/491043078.db2.gz AASHHTOSCHKOBO-GHMZBOCLSA-N 0 0 190.290 2.991 10 0 AFAERN CCC[C@H]1C[C@H]1Nc1cccc(C)n1 227000299 491043098 /nfs/dbraw/zinc/04/30/98/491043098.db2.gz AASHHTOSCHKOBO-WDEREUQCSA-N 0 0 190.290 2.991 10 0 AFAERN CC1(CNc2ncccc2F)CCC1 227777153 491043942 /nfs/dbraw/zinc/04/39/42/491043942.db2.gz NMQPYKSZHLCLSA-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN CCC[C@H]1C[C@@H]1Nc1cccc(C)n1 227000280 491043165 /nfs/dbraw/zinc/04/31/65/491043165.db2.gz AASHHTOSCHKOBO-QWRGUYRKSA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccc(NCC2(C)CCC2)nc1 226809656 491043184 /nfs/dbraw/zinc/04/31/84/491043184.db2.gz UJDIYNFEEYZYEV-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN CCC[C@@H]1C[C@@H]1Nc1ncccc1F 227777107 491043918 /nfs/dbraw/zinc/04/39/18/491043918.db2.gz JZIWGURHQYFTED-SCZZXKLOSA-N 0 0 194.253 2.821 10 0 AFAERN CCC[C@H]1C[C@H]1Nc1ncccc1F 227777120 491043919 /nfs/dbraw/zinc/04/39/19/491043919.db2.gz JZIWGURHQYFTED-WCBMZHEXSA-N 0 0 194.253 2.821 10 0 AFAERN CCC[C@@H]1C[C@H]1Nc1ncccc1F 227777115 491043934 /nfs/dbraw/zinc/04/39/34/491043934.db2.gz JZIWGURHQYFTED-PSASIEDQSA-N 0 0 194.253 2.821 10 0 AFAERN CCC[C@H]1C[C@@H]1Nc1ncccc1F 227777112 491043962 /nfs/dbraw/zinc/04/39/62/491043962.db2.gz JZIWGURHQYFTED-WPRPVWTQSA-N 0 0 194.253 2.821 10 0 AFAERN C1=C(CCNc2ccccn2)CCC1 229174127 491045038 /nfs/dbraw/zinc/04/50/38/491045038.db2.gz XVVWNBAMBUGSON-UHFFFAOYSA-N 0 0 188.274 2.994 10 0 AFAERN CCCCNC(=O)CCCC(C)C 238226253 491045787 /nfs/dbraw/zinc/04/57/87/491045787.db2.gz RMQBZTQYECTCLR-UHFFFAOYSA-N 0 0 185.311 2.729 10 0 AFAERN CCNc1cccc([C@@H](C)OC)c1 306371074 491049556 /nfs/dbraw/zinc/04/95/56/491049556.db2.gz IXHSRVWLAIBVSU-SECBINFHSA-N 0 0 179.263 2.826 10 0 AFAERN CCNc1cccc([C@H](C)OC)c1 306371077 491049569 /nfs/dbraw/zinc/04/95/69/491049569.db2.gz IXHSRVWLAIBVSU-VIFPVBQESA-N 0 0 179.263 2.826 10 0 AFAERN FCCSc1cccc(F)c1 306199893 491046574 /nfs/dbraw/zinc/04/65/74/491046574.db2.gz ACKVVVZEOJNBPS-UHFFFAOYSA-N 0 0 174.215 2.887 10 0 AFAERN CCn1cc(NCC2(C)CCC2)cn1 306207757 491046622 /nfs/dbraw/zinc/04/66/22/491046622.db2.gz DCZDOSLFHPHGPJ-UHFFFAOYSA-N 0 0 193.294 2.505 10 0 AFAERN CC(C)c1cnc(NCCF)s1 306230630 491047020 /nfs/dbraw/zinc/04/70/20/491047020.db2.gz KPKMINNYMFITEP-UHFFFAOYSA-N 0 0 188.271 2.648 10 0 AFAERN CC[C@@H](C)c1noc([C@H]2C[C@@H]2C)n1 306313594 491048376 /nfs/dbraw/zinc/04/83/76/491048376.db2.gz OSFVOLCTFPETTR-CSMHCCOUSA-N 0 0 180.251 2.707 10 0 AFAERN Cc1ccc(NCc2cocn2)cc1 306306866 491048387 /nfs/dbraw/zinc/04/83/87/491048387.db2.gz QKFMDVZOURYHPD-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN CC[C@H](C)c1noc([C@H]2C[C@@H]2C)n1 306313596 491048416 /nfs/dbraw/zinc/04/84/16/491048416.db2.gz OSFVOLCTFPETTR-FXQIFTODSA-N 0 0 180.251 2.707 10 0 AFAERN CSc1cc(C(F)(F)F)ccn1 306341544 491048860 /nfs/dbraw/zinc/04/88/60/491048860.db2.gz XRYMLLHRKQPIJH-UHFFFAOYSA-N 0 0 193.193 2.822 10 0 AFAERN CC(C)=CCOc1cccc(C)n1 306343973 491048887 /nfs/dbraw/zinc/04/88/87/491048887.db2.gz DFJXKVJPFOIEOA-UHFFFAOYSA-N 0 0 177.247 2.735 10 0 AFAERN CC[C@H]1CC[C@@H]1Nc1cnccc1C 306346721 491048908 /nfs/dbraw/zinc/04/89/08/491048908.db2.gz QZRSIXAYWHFZHG-QWRGUYRKSA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@@H]1CC[C@@H]1Nc1cnccc1C 306346297 491048921 /nfs/dbraw/zinc/04/89/21/491048921.db2.gz QZRSIXAYWHFZHG-MNOVXSKESA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@H]1CC[C@H]1Nc1cnccc1C 306346722 491048969 /nfs/dbraw/zinc/04/89/69/491048969.db2.gz QZRSIXAYWHFZHG-WDEREUQCSA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@@H]1CC[C@H]1Nc1cnccc1C 306346295 491048988 /nfs/dbraw/zinc/04/89/88/491048988.db2.gz QZRSIXAYWHFZHG-GHMZBOCLSA-N 0 0 190.290 2.991 10 0 AFAERN FCCN1CCCCc2sccc21 306396640 491050117 /nfs/dbraw/zinc/05/01/17/491050117.db2.gz HEBMRFYBNRSNNC-UHFFFAOYSA-N 0 0 199.294 2.860 10 0 AFAERN CC(C)(NCc1ccccc1)C(F)F 306419982 491050626 /nfs/dbraw/zinc/05/06/26/491050626.db2.gz YMZMHECNCSIZAM-UHFFFAOYSA-N 0 0 199.244 2.820 10 0 AFAERN CC[C@H](Nc1cncc(C)n1)C(C)C 306451046 491051367 /nfs/dbraw/zinc/05/13/67/491051367.db2.gz ZSKDLUJFUVCRFS-JTQLQIEISA-N 0 0 193.294 2.632 10 0 AFAERN CC[C@@H](Nc1cncc(C)n1)C(C)C 306451047 491051417 /nfs/dbraw/zinc/05/14/17/491051417.db2.gz ZSKDLUJFUVCRFS-SNVBAGLBSA-N 0 0 193.294 2.632 10 0 AFAERN CCCc1noc(C2CC(C)C2)n1 306642594 491054204 /nfs/dbraw/zinc/05/42/04/491054204.db2.gz UDIKGHWUUZRCGQ-UHFFFAOYSA-N 0 0 180.251 2.536 10 0 AFAERN Cc1cncc(NCC2(C)CCC2)c1 306587439 491053684 /nfs/dbraw/zinc/05/36/84/491053684.db2.gz MEMAPPMGXWVPBH-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN CCN(C)Cc1cscc1Cl 306606763 491053946 /nfs/dbraw/zinc/05/39/46/491053946.db2.gz RYIMHWWGVYHYRW-UHFFFAOYSA-N 0 0 189.711 2.853 10 0 AFAERN Cc1cc2n[nH]cc2cc1NC(C)C 306724708 491055103 /nfs/dbraw/zinc/05/51/03/491055103.db2.gz VNOVPBRFLUPROS-UHFFFAOYSA-N 0 0 189.262 2.692 10 0 AFAERN CC(C)=CCN1CCC=C(F)C1 306747610 491055377 /nfs/dbraw/zinc/05/53/77/491055377.db2.gz DWRQNTFXRGANSQ-UHFFFAOYSA-N 0 0 169.243 2.512 10 0 AFAERN CC[C@@H](C)c1noc(C2CCC2)n1 306918478 491056471 /nfs/dbraw/zinc/05/64/71/491056471.db2.gz CIGYYYGOQTVWJT-SSDOTTSWSA-N 0 0 180.251 2.851 10 0 AFAERN CC[C@H](C)c1noc(C2CCC2)n1 306918480 491056546 /nfs/dbraw/zinc/05/65/46/491056546.db2.gz CIGYYYGOQTVWJT-ZETCQYMHSA-N 0 0 180.251 2.851 10 0 AFAERN Cc1ncccc1N[C@@H]1C[C@H](C)[C@H]1C 306926290 491056606 /nfs/dbraw/zinc/05/66/06/491056606.db2.gz PRGMLLCKTZHLLD-YGOYTEALSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ncccc1N[C@@H]1C[C@H](C)[C@@H]1C 306926287 491056611 /nfs/dbraw/zinc/05/66/11/491056611.db2.gz PRGMLLCKTZHLLD-HOTUBEGUSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ncccc1N[C@@H]1C[C@@H](C)[C@@H]1C 306926289 491056653 /nfs/dbraw/zinc/05/66/53/491056653.db2.gz PRGMLLCKTZHLLD-VDDIYKPWSA-N 0 0 190.290 2.846 10 0 AFAERN Cc1ncccc1N[C@@H]1C[C@@H](C)[C@H]1C 306926288 491056730 /nfs/dbraw/zinc/05/67/30/491056730.db2.gz PRGMLLCKTZHLLD-KBVBSXBZSA-N 0 0 190.290 2.846 10 0 AFAERN CC[C@H](C)c1nc([C@@H]2C[C@@H]2C)no1 307001102 491057628 /nfs/dbraw/zinc/05/76/28/491057628.db2.gz BZJMNNDJMBXBJM-BIIVOSGPSA-N 0 0 180.251 2.707 10 0 AFAERN CC[C@H](C)c1nc([C@@H]2C[C@H]2C)no1 307001132 491057777 /nfs/dbraw/zinc/05/77/77/491057777.db2.gz BZJMNNDJMBXBJM-XLPZGREQSA-N 0 0 180.251 2.707 10 0 AFAERN CC[C@H](C)c1nc([C@H]2C[C@H]2C)no1 307001122 491057784 /nfs/dbraw/zinc/05/77/84/491057784.db2.gz BZJMNNDJMBXBJM-RNJXMRFFSA-N 0 0 180.251 2.707 10 0 AFAERN CC[C@H](C)c1nc([C@H]2C[C@@H]2C)no1 307001112 491057785 /nfs/dbraw/zinc/05/77/85/491057785.db2.gz BZJMNNDJMBXBJM-FXQIFTODSA-N 0 0 180.251 2.707 10 0 AFAERN Cc1ccncc1NC1CC(C)(C)C1 307097122 491058433 /nfs/dbraw/zinc/05/84/33/491058433.db2.gz PQHHIQWUTONVKB-UHFFFAOYSA-N 0 0 190.290 2.991 10 0 AFAERN CC(C)Cc1csc(NC2CC2)n1 307104579 491058652 /nfs/dbraw/zinc/05/86/52/491058652.db2.gz XHINJDCJMJDQHN-UHFFFAOYSA-N 0 0 196.319 2.916 10 0 AFAERN Cc1ccc(NCC2(C)CC2)c(C)n1 307134390 491058822 /nfs/dbraw/zinc/05/88/22/491058822.db2.gz ODQRCALSAPQCMJ-UHFFFAOYSA-N 0 0 190.290 2.910 10 0 AFAERN Cc1cc(C(=O)N(C)C(C)C)cs1 307188633 491059154 /nfs/dbraw/zinc/05/91/54/491059154.db2.gz XKFVYDZZCQDAGW-UHFFFAOYSA-N 0 0 197.303 2.537 10 0 AFAERN FC1CN(CC2CCCCCC2)C1 307262812 491060000 /nfs/dbraw/zinc/06/00/00/491060000.db2.gz TXYDBMUZTZZKGN-UHFFFAOYSA-N 0 0 185.286 2.611 10 0 AFAERN CC1(CNc2ccncc2F)CCC1 307267214 491060211 /nfs/dbraw/zinc/06/02/11/491060211.db2.gz DNPDIFAGJNMONB-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN Cc1ccncc1N[C@H](C)C1CCC1 307296799 491060240 /nfs/dbraw/zinc/06/02/40/491060240.db2.gz OZLMNWUJZRTFKJ-SNVBAGLBSA-N 0 0 190.290 2.991 10 0 AFAERN COc1cccc(NCC2(F)CC2)c1 307288478 491060254 /nfs/dbraw/zinc/06/02/54/491060254.db2.gz XBNHSUMFKDEYRN-UHFFFAOYSA-N 0 0 195.237 2.609 10 0 AFAERN Cc1ccncc1N[C@@H](C)C1CCC1 307296797 491060287 /nfs/dbraw/zinc/06/02/87/491060287.db2.gz OZLMNWUJZRTFKJ-JTQLQIEISA-N 0 0 190.290 2.991 10 0 AFAERN CCc1cnc(NCC2(C)CC2)s1 307322272 491060681 /nfs/dbraw/zinc/06/06/81/491060681.db2.gz YKSBKYZSTSAGRQ-UHFFFAOYSA-N 0 0 196.319 2.918 10 0 AFAERN Cc1cnc(N[C@@H](C)C(C)C)nc1C 307318791 491060685 /nfs/dbraw/zinc/06/06/85/491060685.db2.gz RGNZTYLKUGNFJA-VIFPVBQESA-N 0 0 193.294 2.550 10 0 AFAERN Cc1cnc(N[C@H](C)C(C)C)nc1C 307318790 491060702 /nfs/dbraw/zinc/06/07/02/491060702.db2.gz RGNZTYLKUGNFJA-SECBINFHSA-N 0 0 193.294 2.550 10 0 AFAERN Cc1noc(C2C(C)(C)C2(C)C)n1 307363121 491061111 /nfs/dbraw/zinc/06/11/11/491061111.db2.gz HEQDVTSKCXPSKV-UHFFFAOYSA-N 0 0 180.251 2.528 10 0 AFAERN C[C@@H]1CC[C@H](Sc2nccn2C)C1 307377639 491061174 /nfs/dbraw/zinc/06/11/74/491061174.db2.gz CGMAVJGHCOQXJO-BDAKNGLRSA-N 0 0 196.319 2.701 10 0 AFAERN C[C@@H]1CC[C@@H](Sc2nccn2C)C1 307377647 491061259 /nfs/dbraw/zinc/06/12/59/491061259.db2.gz CGMAVJGHCOQXJO-RKDXNWHRSA-N 0 0 196.319 2.701 10 0 AFAERN C[C@H]1CC[C@@H](Sc2nccn2C)C1 307377642 491061260 /nfs/dbraw/zinc/06/12/60/491061260.db2.gz CGMAVJGHCOQXJO-DTWKUNHWSA-N 0 0 196.319 2.701 10 0 AFAERN C[C@H]1CC[C@H](Sc2nccn2C)C1 307377645 491061268 /nfs/dbraw/zinc/06/12/68/491061268.db2.gz CGMAVJGHCOQXJO-IUCAKERBSA-N 0 0 196.319 2.701 10 0 AFAERN Cc1nc(N2CC=CCC2)sc1C 307379771 491061303 /nfs/dbraw/zinc/06/13/03/491061303.db2.gz DZVVSDSVSQZNMN-UHFFFAOYSA-N 0 0 194.303 2.526 10 0 AFAERN c1sc(NC2CC2)nc1CC1CC1 307456426 491061914 /nfs/dbraw/zinc/06/19/14/491061914.db2.gz YCWQMAQNUHJCQF-UHFFFAOYSA-N 0 0 194.303 2.670 10 0 AFAERN Cc1ccc(N[C@H]2CCC2(C)C)cn1 307476005 491062537 /nfs/dbraw/zinc/06/25/37/491062537.db2.gz BWBFRBDHVZBHTC-NSHDSACASA-N 0 0 190.290 2.991 10 0 AFAERN Cc1ccc(N[C@@H]2CCC2(C)C)cn1 307476004 491062651 /nfs/dbraw/zinc/06/26/51/491062651.db2.gz BWBFRBDHVZBHTC-LLVKDONJSA-N 0 0 190.290 2.991 10 0 AFAERN CC[C@H](C)Nc1nnc(C(C)C)s1 307570641 491064305 /nfs/dbraw/zinc/06/43/05/491064305.db2.gz DOSLQPLYUCKORD-ZETCQYMHSA-N 0 0 199.323 2.872 10 0 AFAERN CC[C@@H](C)Nc1nnc(C(C)C)s1 307570638 491064315 /nfs/dbraw/zinc/06/43/15/491064315.db2.gz DOSLQPLYUCKORD-SSDOTTSWSA-N 0 0 199.323 2.872 10 0 AFAERN Cc1ccncc1NCC1(C)CCC1 307621921 491065555 /nfs/dbraw/zinc/06/55/55/491065555.db2.gz GKGFIODYWFDTHT-UHFFFAOYSA-N 0 0 190.290 2.992 10 0 AFAERN CC[C@@H](C)NC(=O)c1csc(C)c1 307629104 491065815 /nfs/dbraw/zinc/06/58/15/491065815.db2.gz XFCDXGMDMORMPK-SSDOTTSWSA-N 0 0 197.303 2.585 10 0 AFAERN CC[C@H](C)NC(=O)c1csc(C)c1 307629105 491065898 /nfs/dbraw/zinc/06/58/98/491065898.db2.gz XFCDXGMDMORMPK-ZETCQYMHSA-N 0 0 197.303 2.585 10 0 AFAERN CCCCC(=O)Nc1csc(C)n1 307648575 491066452 /nfs/dbraw/zinc/06/64/52/491066452.db2.gz PAUZLUJCZZZMMT-UHFFFAOYSA-N 0 0 198.291 2.580 10 0 AFAERN CC1CC(c2nc(C(C)C)no2)C1 307671324 491067057 /nfs/dbraw/zinc/06/70/57/491067057.db2.gz WOEYCFXVAFQWTQ-UHFFFAOYSA-N 0 0 180.251 2.707 10 0 AFAERN CC(C)=CCCNc1ccccn1 307674335 491067203 /nfs/dbraw/zinc/06/72/03/491067203.db2.gz DRDVAWODWKFENE-UHFFFAOYSA-N 0 0 176.263 2.850 10 0 AFAERN CC(C)=CCn1ncc(Cl)c1C 307686094 491067780 /nfs/dbraw/zinc/06/77/80/491067780.db2.gz AXKOKGJMFPUSQJ-UHFFFAOYSA-N 0 0 184.670 2.811 10 0 AFAERN CC1(CN2CCC(F)(F)C2)CCC1 307695794 491068139 /nfs/dbraw/zinc/06/81/39/491068139.db2.gz CBTOIDCVLWOWFZ-UHFFFAOYSA-N 0 0 189.249 2.518 10 0 AFAERN FC(F)[C@@H]1CCCN1CC1CCC1 307695778 491068193 /nfs/dbraw/zinc/06/81/93/491068193.db2.gz CAABMYNJGRFQIR-VIFPVBQESA-N 0 0 189.249 2.516 10 0 AFAERN CN(CC1(F)CC1)c1ccccc1 307696589 491068225 /nfs/dbraw/zinc/06/82/25/491068225.db2.gz KNQKROPRTGHBPD-UHFFFAOYSA-N 0 0 179.238 2.625 10 0 AFAERN CC(C)CNc1nccnc1C(C)C 307700146 491068399 /nfs/dbraw/zinc/06/83/99/491068399.db2.gz PTIFJSVGRLWFSJ-UHFFFAOYSA-N 0 0 193.294 2.668 10 0 AFAERN CC1(C)CCC[N@H+](CC2(F)CC2)C1 307699013 491068408 /nfs/dbraw/zinc/06/84/08/491068408.db2.gz NUGSLQZVWMRDHB-UHFFFAOYSA-N 0 0 185.286 2.611 10 0 AFAERN CC(C)=CCOc1ccc(C)nc1 307757591 491070610 /nfs/dbraw/zinc/07/06/10/491070610.db2.gz LVYXYDNTQXHPAX-UHFFFAOYSA-N 0 0 177.247 2.735 10 0 AFAERN FCCCSc1ccccn1 307728452 491069411 /nfs/dbraw/zinc/06/94/11/491069411.db2.gz HIWQWQKASAOGLA-UHFFFAOYSA-N 0 0 171.240 2.533 10 0 AFAERN CC[C@H](C)c1noc([C@@H]2C[C@@H]2C)n1 307744448 491069769 /nfs/dbraw/zinc/06/97/69/491069769.db2.gz OSFVOLCTFPETTR-BIIVOSGPSA-N 0 0 180.251 2.707 10 0 AFAERN CC[C@H](C)c1noc([C@H]2C[C@H]2C)n1 307744449 491069857 /nfs/dbraw/zinc/06/98/57/491069857.db2.gz OSFVOLCTFPETTR-RNJXMRFFSA-N 0 0 180.251 2.707 10 0 AFAERN CC1(CNc2cncc(F)c2)CCC1 307752834 491070281 /nfs/dbraw/zinc/07/02/81/491070281.db2.gz TWCQYZFMVISMPA-UHFFFAOYSA-N 0 0 194.253 2.823 10 0 AFAERN Cc1cccc(NCc2cocn2)c1 307761470 491070779 /nfs/dbraw/zinc/07/07/79/491070779.db2.gz ZPXVRVJLXNOZJA-UHFFFAOYSA-N 0 0 188.230 2.595 10 0 AFAERN CC/C=C/CCn1cc(Cl)cn1 307941921 491071863 /nfs/dbraw/zinc/07/18/63/491071863.db2.gz CWSGOJCMVSRFCU-ONEGZZNKSA-N 0 0 184.670 2.893 10 0 AFAERN CC/C=C\CCn1cc(Cl)cn1 307941919 491071913 /nfs/dbraw/zinc/07/19/13/491071913.db2.gz CWSGOJCMVSRFCU-ARJAWSKDSA-N 0 0 184.670 2.893 10 0 AFAERN CC[C@H](N[C@H](C)CC)C(F)(F)F 307945428 491072061 /nfs/dbraw/zinc/07/20/61/491072061.db2.gz IHUVZXURAAYDRQ-RQJHMYQMSA-N 0 0 183.217 2.715 10 0 AFAERN CC/C=C\CCn1cc(C)cn1 307944991 491072108 /nfs/dbraw/zinc/07/21/08/491072108.db2.gz HSITVOZSNDBJFD-PLNGDYQASA-N 0 0 164.252 2.548 10 0 AFAERN CC[C@H](C)N[C@@H](CC)C(F)(F)F 307945427 491072148 /nfs/dbraw/zinc/07/21/48/491072148.db2.gz IHUVZXURAAYDRQ-BQBZGAKWSA-N 0 0 183.217 2.715 10 0 AFAERN CC/C=C/CCn1cc(C)cn1 307944992 491072158 /nfs/dbraw/zinc/07/21/58/491072158.db2.gz HSITVOZSNDBJFD-SNAWJCMRSA-N 0 0 164.252 2.548 10 0 AFAERN CC[C@H](NCC(C)C)C(F)(F)F 308010437 491076073 /nfs/dbraw/zinc/07/60/73/491076073.db2.gz MDLOCIIVKGCACW-ZETCQYMHSA-N 0 0 183.217 2.573 10 0 AFAERN CCC[C@@H](C)CN(C)CC(F)F 307977487 491074288 /nfs/dbraw/zinc/07/42/88/491074288.db2.gz MJKLIIYSRUWFCE-MRVPVSSYSA-N 0 0 179.254 2.620 10 0 AFAERN CCC[C@H](C)CN(C)CC(F)F 307977488 491074397 /nfs/dbraw/zinc/07/43/97/491074397.db2.gz MJKLIIYSRUWFCE-QMMMGPOBSA-N 0 0 179.254 2.620 10 0 AFAERN CCC[C@@H](C)Sc1cccnn1 308052974 491076985 /nfs/dbraw/zinc/07/69/85/491076985.db2.gz SUIFSBCVVRLLQF-MRVPVSSYSA-N 0 0 182.292 2.757 10 0 AFAERN CCC[C@H](C)Sc1cccnn1 308052975 491077036 /nfs/dbraw/zinc/07/70/36/491077036.db2.gz SUIFSBCVVRLLQF-QMMMGPOBSA-N 0 0 182.292 2.757 10 0 AFAERN Cc1coc(SCCCCF)n1 308068829 491077405 /nfs/dbraw/zinc/07/74/05/491077405.db2.gz AFYRYKCLPYTVCX-UHFFFAOYSA-N 0 0 189.255 2.825 10 0 AFAERN FCCCCCSc1ncco1 308072992 491077649 /nfs/dbraw/zinc/07/76/49/491077649.db2.gz CVCQQRHOEUNTFP-UHFFFAOYSA-N 0 0 189.255 2.907 10 0 AFAERN CC(C)=CCN(CC(F)F)C(C)C 308129835 491079066 /nfs/dbraw/zinc/07/90/66/491079066.db2.gz AFZLMZPLHDTEAA-UHFFFAOYSA-N 0 0 191.265 2.928 10 0 AFAERN CCc1nccn1CCCCCF 308134512 491079385 /nfs/dbraw/zinc/07/93/85/491079385.db2.gz HIMXGPGHUMUCGY-UHFFFAOYSA-N 0 0 184.258 2.585 10 0 AFAERN CC(C)CCCSc1nccn1C 308140451 491079947 /nfs/dbraw/zinc/07/99/47/491079947.db2.gz IBIASXRJMZZRDJ-UHFFFAOYSA-N 0 0 198.335 2.948 10 0 AFAERN CC(C)CCCNc1cccnc1 308139877 491079951 /nfs/dbraw/zinc/07/99/51/491079951.db2.gz HTHUGUWSYFPUKC-UHFFFAOYSA-N 0 0 178.279 2.930 10 0 AFAERN CC(C)CN[C@@H](C(C)C)C(F)(F)F 308142537 491080345 /nfs/dbraw/zinc/08/03/45/491080345.db2.gz JOSBSCPSLKQLLB-QMMMGPOBSA-N 0 0 197.244 2.819 10 0 AFAERN CCOCCSc1ccoc1C 308141487 491080377 /nfs/dbraw/zinc/08/03/77/491080377.db2.gz HQCGAQTZDSJFOG-UHFFFAOYSA-N 0 0 186.276 2.717 10 0 AFAERN CC(C)NC(=O)[C@@H](C)CC(C)(C)C 308148860 491080915 /nfs/dbraw/zinc/08/09/15/491080915.db2.gz NJIWSBBLZZPSMM-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)NC(=O)[C@H](C)CC(C)(C)C 308148859 491080991 /nfs/dbraw/zinc/08/09/91/491080991.db2.gz NJIWSBBLZZPSMM-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)C(CN1CC(F)C1)C(C)C 308155583 491081300 /nfs/dbraw/zinc/08/13/00/491081300.db2.gz QZHHKEFVAAKEKX-UHFFFAOYSA-N 0 0 187.302 2.568 10 0 AFAERN CCCCc1nc([C@H]2C[C@@H]2C)no1 308240060 491086884 /nfs/dbraw/zinc/08/68/84/491086884.db2.gz SHJAWUSAHZVDPP-YUMQZZPRSA-N 0 0 180.251 2.536 10 0 AFAERN CCCN(C)C(=O)CC[C@H](C)CC 308168741 491082321 /nfs/dbraw/zinc/08/23/21/491082321.db2.gz APJMAQPDCUZQCU-SNVBAGLBSA-N 0 0 185.311 2.681 10 0 AFAERN CCCN(C)C(=O)CC[C@@H](C)CC 308168740 491082333 /nfs/dbraw/zinc/08/23/33/491082333.db2.gz APJMAQPDCUZQCU-JTQLQIEISA-N 0 0 185.311 2.681 10 0 AFAERN CC[C@H](C)COc1cccc(C)n1 308249583 491087906 /nfs/dbraw/zinc/08/79/06/491087906.db2.gz AKSNENHOTIDWLX-VIFPVBQESA-N 0 0 179.263 2.815 10 0 AFAERN CCCCC(=O)NC1(CC)CCC1 308210689 491084484 /nfs/dbraw/zinc/08/44/84/491084484.db2.gz GFDMBEGLAGBGHG-UHFFFAOYSA-N 0 0 183.295 2.626 10 0 AFAERN CC/C=C/CCn1c(C)csc1=O 308212140 491084616 /nfs/dbraw/zinc/08/46/16/491084616.db2.gz GWWLMWUBLYJKDD-SNAWJCMRSA-N 0 0 197.303 2.575 10 0 AFAERN CC/C=C\CCn1c(C)csc1=O 308212139 491084664 /nfs/dbraw/zinc/08/46/64/491084664.db2.gz GWWLMWUBLYJKDD-PLNGDYQASA-N 0 0 197.303 2.575 10 0 AFAERN CC(C)N(CCCCF)CC(F)F 308219827 491085507 /nfs/dbraw/zinc/08/55/07/491085507.db2.gz BQNSDYWMWUPLKE-UHFFFAOYSA-N 0 0 197.244 2.712 10 0 AFAERN CCN(CC)C(=O)[C@H](C)CC(C)C 308233415 491086729 /nfs/dbraw/zinc/08/67/29/491086729.db2.gz PWZLENNUXWQSEE-SNVBAGLBSA-N 0 0 185.311 2.537 10 0 AFAERN CCN(CC)C(=O)[C@@H](C)CC(C)C 308233412 491086736 /nfs/dbraw/zinc/08/67/36/491086736.db2.gz PWZLENNUXWQSEE-JTQLQIEISA-N 0 0 185.311 2.537 10 0 AFAERN CCCCc1nc([C@H]2C[C@H]2C)no1 308240059 491086887 /nfs/dbraw/zinc/08/68/87/491086887.db2.gz SHJAWUSAHZVDPP-SFYZADRCSA-N 0 0 180.251 2.536 10 0 AFAERN CC/C=C/CCSc1cccnn1 308240875 491086942 /nfs/dbraw/zinc/08/69/42/491086942.db2.gz SPMDDQYLFDXUJW-ONEGZZNKSA-N 0 0 194.303 2.925 10 0 AFAERN CCCCc1nc([C@@H]2C[C@@H]2C)no1 308240058 491087007 /nfs/dbraw/zinc/08/70/07/491087007.db2.gz SHJAWUSAHZVDPP-JGVFFNPUSA-N 0 0 180.251 2.536 10 0 AFAERN CC/C=C\CCSc1cccnn1 308240873 491087058 /nfs/dbraw/zinc/08/70/58/491087058.db2.gz SPMDDQYLFDXUJW-ARJAWSKDSA-N 0 0 194.303 2.925 10 0 AFAERN CCCCc1nc([C@@H]2C[C@H]2C)no1 308240057 491087063 /nfs/dbraw/zinc/08/70/63/491087063.db2.gz SHJAWUSAHZVDPP-HTQZYQBOSA-N 0 0 180.251 2.536 10 0 AFAERN CC[C@@H](C)COc1cccc(C)n1 308249582 491087933 /nfs/dbraw/zinc/08/79/33/491087933.db2.gz AKSNENHOTIDWLX-SECBINFHSA-N 0 0 179.263 2.815 10 0 AFAERN COC[C@@H](C)CNc1cscc1C 308265252 491090078 /nfs/dbraw/zinc/09/00/78/491090078.db2.gz OYOFVAHCQQNDSJ-QMMMGPOBSA-N 0 0 199.319 2.751 10 0 AFAERN COC[C@H](C)CNc1cscc1C 308265251 491090104 /nfs/dbraw/zinc/09/01/04/491090104.db2.gz OYOFVAHCQQNDSJ-MRVPVSSYSA-N 0 0 199.319 2.751 10 0 AFAERN CC(C)C[C@@H](C)C(=O)NC(C)(C)C 308273761 491091184 /nfs/dbraw/zinc/09/11/84/491091184.db2.gz UENAWNXCSVFJOR-SECBINFHSA-N 0 0 185.311 2.583 10 0 AFAERN CC(C)C[C@H](C)C(=O)NC(C)(C)C 308273762 491091267 /nfs/dbraw/zinc/09/12/67/491091267.db2.gz UENAWNXCSVFJOR-VIFPVBQESA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@H](C)CN[C@@H](CC)C(F)(F)F 308284893 491092065 /nfs/dbraw/zinc/09/20/65/491092065.db2.gz CXOGJHDUDDKWQF-YUMQZZPRSA-N 0 0 197.244 2.963 10 0 AFAERN CCCCCc1nc(C(C)C)no1 308284759 491092245 /nfs/dbraw/zinc/09/22/45/491092245.db2.gz BECKHGGCFSCXBN-UHFFFAOYSA-N 0 0 182.267 2.926 10 0 AFAERN CC[C@H](NC[C@H](C)CC)C(F)(F)F 308284891 491092287 /nfs/dbraw/zinc/09/22/87/491092287.db2.gz CXOGJHDUDDKWQF-SFYZADRCSA-N 0 0 197.244 2.963 10 0 AFAERN CN(Cc1ccsc1)CC1(F)CC1 308284612 491092303 /nfs/dbraw/zinc/09/23/03/491092303.db2.gz ZXAXIHOJWMZUFW-UHFFFAOYSA-N 0 0 199.294 2.682 10 0 AFAERN CCCc1noc(C[C@@H](C)CC)n1 308286704 491092773 /nfs/dbraw/zinc/09/27/73/491092773.db2.gz CDWFXXFQRXRGIA-QMMMGPOBSA-N 0 0 182.267 2.611 10 0 AFAERN CCCc1noc(C[C@H](C)CC)n1 308286703 491092899 /nfs/dbraw/zinc/09/28/99/491092899.db2.gz CDWFXXFQRXRGIA-MRVPVSSYSA-N 0 0 182.267 2.611 10 0 AFAERN CC[C@H](C)COc1ccc(C)nc1 308291435 491093418 /nfs/dbraw/zinc/09/34/18/491093418.db2.gz HJPNPDLDXUXAFG-VIFPVBQESA-N 0 0 179.263 2.815 10 0 AFAERN CC[C@@H](C)CC(=O)N[C@H](C)C(C)C 308290686 491093497 /nfs/dbraw/zinc/09/34/97/491093497.db2.gz GUWKUPPDZSRNMF-NXEZZACHSA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@@H](C)COc1ccc(C)nc1 308291434 491093500 /nfs/dbraw/zinc/09/35/00/491093500.db2.gz HJPNPDLDXUXAFG-SECBINFHSA-N 0 0 179.263 2.815 10 0 AFAERN CC[C@@H](C)CC(=O)N[C@@H](C)C(C)C 308290689 491093549 /nfs/dbraw/zinc/09/35/49/491093549.db2.gz GUWKUPPDZSRNMF-ZJUUUORDSA-N 0 0 185.311 2.583 10 0 AFAERN CC[C@H](C)CC(=O)N[C@@H](C)C(C)C 308290687 491093551 /nfs/dbraw/zinc/09/35/51/491093551.db2.gz GUWKUPPDZSRNMF-UWVGGRQHSA-N 0 0 185.311 2.583 10 0 AFAERN C/C=C\CN[C@H](C)c1csc(C)n1 308311039 491095342 /nfs/dbraw/zinc/09/53/42/491095342.db2.gz RKFORFKAJXDMOE-PULIVWKDSA-N 0 0 196.319 2.678 10 0 AFAERN C/C=C/CN[C@@H](C)c1csc(C)n1 308311041 491095380 /nfs/dbraw/zinc/09/53/80/491095380.db2.gz RKFORFKAJXDMOE-ZJELKQJVSA-N 0 0 196.319 2.678 10 0 AFAERN C/C=C/CN[C@H](C)c1csc(C)n1 308311040 491095435 /nfs/dbraw/zinc/09/54/35/491095435.db2.gz RKFORFKAJXDMOE-WTSVBCDHSA-N 0 0 196.319 2.678 10 0 AFAERN C/C=C\CN[C@@H](C)c1csc(C)n1 308311037 491095461 /nfs/dbraw/zinc/09/54/61/491095461.db2.gz RKFORFKAJXDMOE-LGYSABEFSA-N 0 0 196.319 2.678 10 0 AFAERN CCc1nc(CCC(C)(C)C)no1 308311771 491095607 /nfs/dbraw/zinc/09/56/07/491095607.db2.gz SFZMWZFLYZLXFB-UHFFFAOYSA-N 0 0 182.267 2.611 10 0 AFAERN CC[C@@H]1CC[C@@H]1NC1(C(F)F)CC1 308325342 491097158 /nfs/dbraw/zinc/09/71/58/491097158.db2.gz FACBAMDOCWCNGT-SFYZADRCSA-N 0 0 189.249 2.562 10 0 AFAERN CC[C@@H]1CC[C@H]1NC1(C(F)F)CC1 308325340 491097217 /nfs/dbraw/zinc/09/72/17/491097217.db2.gz FACBAMDOCWCNGT-HTQZYQBOSA-N 0 0 189.249 2.562 10 0 AFAERN CC[C@H]1CC[C@H]1NC1(C(F)F)CC1 308325341 491097240 /nfs/dbraw/zinc/09/72/40/491097240.db2.gz FACBAMDOCWCNGT-JGVFFNPUSA-N 0 0 189.249 2.562 10 0 AFAERN CC[C@H]1CC[C@@H]1NC1(C(F)F)CC1 308325343 491097262 /nfs/dbraw/zinc/09/72/62/491097262.db2.gz FACBAMDOCWCNGT-YUMQZZPRSA-N 0 0 189.249 2.562 10 0 AFAERN CCN(C)C(=O)[C@H](C)CC(C)(C)C 308366112 491099097 /nfs/dbraw/zinc/09/90/97/491099097.db2.gz OCCOQLZSPGTZIM-SECBINFHSA-N 0 0 185.311 2.537 10 0 AFAERN CCN(C)C(=O)[C@@H](C)CC(C)(C)C 308366114 491099127 /nfs/dbraw/zinc/09/91/27/491099127.db2.gz OCCOQLZSPGTZIM-VIFPVBQESA-N 0 0 185.311 2.537 10 0 AFAERN Cc1ccc(OCCC2CC2)cn1 308373668 491099380 /nfs/dbraw/zinc/09/93/80/491099380.db2.gz MEPPIDFTJDXQQO-UHFFFAOYSA-N 0 0 177.247 2.569 10 0 AFAERN CCN(CCF)c1cccc(F)c1 308397264 491101210 /nfs/dbraw/zinc/10/12/10/491101210.db2.gz FBZAOGCCPQBELB-UHFFFAOYSA-N 0 0 185.217 2.622 10 0 AFAERN CCN(CCF)c1ccccc1C 308397189 491101317 /nfs/dbraw/zinc/10/13/17/491101317.db2.gz FATLCERISYOVJM-UHFFFAOYSA-N 0 0 181.254 2.791 10 0 AFAERN CCCCCn1nc(C)c(C)c1C 308401271 491101418 /nfs/dbraw/zinc/10/14/18/491101418.db2.gz HFWDOXUWDPBPTG-UHFFFAOYSA-N 0 0 180.295 2.999 10 0 AFAERN CC[C@@H](C)c1noc(CC(C)C)n1 308422319 491102720 /nfs/dbraw/zinc/10/27/20/491102720.db2.gz PCAJQUXALURMEG-MRVPVSSYSA-N 0 0 182.267 2.782 10 0 AFAERN CC[C@H](C)c1noc(CC(C)C)n1 308422321 491102813 /nfs/dbraw/zinc/10/28/13/491102813.db2.gz PCAJQUXALURMEG-QMMMGPOBSA-N 0 0 182.267 2.782 10 0 AFAERN CCCc1noc(C(C)(C)CC)n1 308436389 491104155 /nfs/dbraw/zinc/10/41/55/491104155.db2.gz WUGPUOGJPYTUPL-UHFFFAOYSA-N 0 0 182.267 2.710 10 0 AFAERN CC[C@@H](C)c1noc(CC2CC2)n1 308443420 491104428 /nfs/dbraw/zinc/10/44/28/491104428.db2.gz ZYPQXVHULKYYDC-SSDOTTSWSA-N 0 0 180.251 2.536 10 0 AFAERN CC[C@H](C)c1noc(CC2CC2)n1 308443421 491104645 /nfs/dbraw/zinc/10/46/45/491104645.db2.gz ZYPQXVHULKYYDC-ZETCQYMHSA-N 0 0 180.251 2.536 10 0 AFAERN CN(CCCF)c1ccccc1F 308459441 491105538 /nfs/dbraw/zinc/10/55/38/491105538.db2.gz HASGXUSCOAPKNT-UHFFFAOYSA-N 0 0 185.217 2.622 10 0 AFAERN CC[C@H](NC1CC(C)C1)C(F)(F)F 308464236 491105785 /nfs/dbraw/zinc/10/57/85/491105785.db2.gz INPXSSOWBTWEQU-RRQHEKLDSA-N 0 0 195.228 2.715 10 0 AFAERN CC[C@H](N[C@H](C)C1CC1)C(F)(F)F 308465023 491105802 /nfs/dbraw/zinc/10/58/02/491105802.db2.gz IUUHHIGSVJYBHP-SVRRBLITSA-N 0 0 195.228 2.715 10 0 AFAERN CC[C@H](NC1CCCC1)C(F)(F)F 308463236 491105812 /nfs/dbraw/zinc/10/58/12/491105812.db2.gz IEHGZECVLBNNNJ-QMMMGPOBSA-N 0 0 195.228 2.860 10 0 AFAERN CC[C@H](N[C@@H](C)C1CC1)C(F)(F)F 308465024 491105872 /nfs/dbraw/zinc/10/58/72/491105872.db2.gz IUUHHIGSVJYBHP-XPUUQOCRSA-N 0 0 195.228 2.715 10 0 AFAERN CCCN(C)C(=O)c1csc(C)c1 308499321 491108103 /nfs/dbraw/zinc/10/81/03/491108103.db2.gz VUYIYEYXPOWFCC-UHFFFAOYSA-N 0 0 197.303 2.539 10 0 AFAERN CCCCC(=O)NC[C@@H](C)C(C)C 379369992 491119330 /nfs/dbraw/zinc/11/93/30/491119330.db2.gz FRGSFXHWBCOMJK-SNVBAGLBSA-N 0 0 185.311 2.585 10 0 AFAERN CCCCC(=O)NC[C@H](C)C(C)C 379369991 491119331 /nfs/dbraw/zinc/11/93/31/491119331.db2.gz FRGSFXHWBCOMJK-JTQLQIEISA-N 0 0 185.311 2.585 10 0 AFAERN C=C/C=C\CC(=O)NCCC=C(C)C 1632886819 1188747149 /nfs/dbraw/zinc/74/71/49/1188747149.db2.gz AWOXARNITDXONH-WAYWQWQTSA-N 0 0 193.290 2.591 10 0 AFAERN C=C/C=C/CC(=O)NCCC=C(C)C 1632886807 1188747574 /nfs/dbraw/zinc/74/75/74/1188747574.db2.gz AWOXARNITDXONH-AATRIKPKSA-N 0 0 193.290 2.591 10 0 AFAERN c1ccc(CN=Nc2ccccn2)cc1 5278544 1188765223 /nfs/dbraw/zinc/76/52/23/1188765223.db2.gz BPECCKRJFULQIS-UHFFFAOYSA-N 0 0 197.241 2.528 10 0 AFAERN CC(C)Cc1cc2cccnc2[nH]1 5138305 1188765251 /nfs/dbraw/zinc/76/52/51/1188765251.db2.gz CICBTSLIBBFAPY-UHFFFAOYSA-N 0 0 174.247 2.761 10 0 AFAERN Cc1cc(-c2ccc(N)cc2)ccc1N 13510528 1188765820 /nfs/dbraw/zinc/76/58/20/1188765820.db2.gz SZDCQDGTODDBKZ-UHFFFAOYSA-N 0 0 198.269 2.826 10 0 AFAERN CCCNc1cc(CSC)ccn1 52756509 1188768882 /nfs/dbraw/zinc/76/88/82/1188768882.db2.gz MNGJOWFQLXYDFA-UHFFFAOYSA-N 0 0 196.319 2.767 10 0 AFAERN Cc1cccc(-c2cccc(N)n2)c1C 53327744 1188768929 /nfs/dbraw/zinc/76/89/29/1188768929.db2.gz QQOWVLAAJYTRGO-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN CCOc1cccc(CC(=O)CC)c1 58002715 1188769132 /nfs/dbraw/zinc/76/91/32/1188769132.db2.gz ZSWYEJLOKUNNMH-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN Cc1nccc(/C=C/c2ccccc2)n1 58511648 1188769466 /nfs/dbraw/zinc/76/94/66/1188769466.db2.gz KJYKPKYOSOMVGJ-BQYQJAHWSA-N 0 0 196.253 2.955 10 0 AFAERN CCCOCCNc1ccccc1 53588290 1188769504 /nfs/dbraw/zinc/76/95/04/1188769504.db2.gz BTHCXBXNJQQJJG-UHFFFAOYSA-N 0 0 179.263 2.525 10 0 AFAERN CCOc1ccccc1CC(=O)CC 58002716 1188769587 /nfs/dbraw/zinc/76/95/87/1188769587.db2.gz CXUGXBNOVKSBBV-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN CC(C)OCCCNc1ccccc1 53554976 1188769625 /nfs/dbraw/zinc/76/96/25/1188769625.db2.gz LRUNHRRDOMKRRY-UHFFFAOYSA-N 0 0 193.290 2.914 10 0 AFAERN CCOc1ccc(CC(=O)CC)cc1 58002717 1188769965 /nfs/dbraw/zinc/76/99/65/1188769965.db2.gz QVMXAGZMBVEAHZ-UHFFFAOYSA-N 0 0 192.258 2.607 10 0 AFAERN CCSCCc1ccccc1N 52919117 1188770443 /nfs/dbraw/zinc/77/04/43/1188770443.db2.gz LDEKKWATPVSESU-UHFFFAOYSA-N 0 0 181.304 2.564 10 0 AFAERN C=Cc1cccc(C)c1OC 59209359 1188771296 /nfs/dbraw/zinc/77/12/96/1188771296.db2.gz SCTQXRPCZJHLGM-UHFFFAOYSA-N 0 0 148.205 2.647 10 0 AFAERN CCCCc1cc(O)ccc1OC 59328312 1188771330 /nfs/dbraw/zinc/77/13/30/1188771330.db2.gz QSHVAZMOLNGWSY-UHFFFAOYSA-N 0 0 180.247 2.743 10 0 AFAERN CCCc1ccc(O)cc1C 59438489 1188771473 /nfs/dbraw/zinc/77/14/73/1188771473.db2.gz NDUMSJWWRWOBDX-UHFFFAOYSA-N 0 0 150.221 2.653 10 0 AFAERN CCC[C@H](C)Oc1ccccc1O 59563309 1188771856 /nfs/dbraw/zinc/77/18/56/1188771856.db2.gz WTWJEELFBPEWOT-VIFPVBQESA-N 0 0 180.247 2.960 10 0 AFAERN CCC[C@@H](C)Oc1ccccc1O 59563307 1188771870 /nfs/dbraw/zinc/77/18/70/1188771870.db2.gz WTWJEELFBPEWOT-SECBINFHSA-N 0 0 180.247 2.960 10 0 AFAERN COCCc1ccc2occc2c1 59545966 1188771965 /nfs/dbraw/zinc/77/19/65/1188771965.db2.gz AYBKTGHAQBQADT-UHFFFAOYSA-N 0 0 176.215 2.622 10 0 AFAERN CCCNc1ccc(OC)cc1C 61565875 1188772424 /nfs/dbraw/zinc/77/24/24/1188772424.db2.gz SUYOAWLLRYCYAF-UHFFFAOYSA-N 0 0 179.263 2.826 10 0 AFAERN CC[C@@H](C)Nc1cnn(C(C)C)c1 61682358 1188772977 /nfs/dbraw/zinc/77/29/77/1188772977.db2.gz XXXQFXUSEGSARG-SECBINFHSA-N 0 0 181.283 2.674 10 0 AFAERN Cc1ccc(-c2ccc(C)c(N)c2)cn1 62948308 1188773432 /nfs/dbraw/zinc/77/34/32/1188773432.db2.gz ZJGMAOMCHJILPQ-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(-c2ccc(N)c(C)c2)cn1 62948317 1188773553 /nfs/dbraw/zinc/77/35/53/1188773553.db2.gz PNRKTJIBCHYMDK-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(-c2ccc(N)cc2C)cn1 62948315 1188773565 /nfs/dbraw/zinc/77/35/65/1188773565.db2.gz AFJDCCJPUSODCY-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1ccc(N)c(-c2ccc(C)nc2)c1 62948316 1188773571 /nfs/dbraw/zinc/77/35/71/1188773571.db2.gz NQLXXKANDAAXGX-UHFFFAOYSA-N 0 0 198.269 2.948 10 0 AFAERN Cc1nc2cc(F)ccc2n1C1CC1 75972677 1188774175 /nfs/dbraw/zinc/77/41/75/1188774175.db2.gz FXOWBHKKGQIKIM-UHFFFAOYSA-N 0 0 190.221 2.819 10 0 AFAERN Cc1ccccc1Cc1cncc(N)c1 74237583 1188774182 /nfs/dbraw/zinc/77/41/82/1188774182.db2.gz KBTKHTKMGYSIFL-UHFFFAOYSA-N 0 0 198.269 2.563 10 0 AFAERN Cc1nc2ccccc2n1C1CC1 75972665 1188774523 /nfs/dbraw/zinc/77/45/23/1188774523.db2.gz PVNMWWNQQNYJIY-UHFFFAOYSA-N 0 0 172.231 2.680 10 0 AFAERN Cc1nc2ccc(F)cc2n1C1CC1 75972676 1188774805 /nfs/dbraw/zinc/77/48/05/1188774805.db2.gz LAIJYQFKKJMTHM-UHFFFAOYSA-N 0 0 190.221 2.819 10 0 AFAERN CC(C)c1nc2c(F)c(F)ccc2[nH]1 75974974 1188775116 /nfs/dbraw/zinc/77/51/16/1188775116.db2.gz XPALJKSKHFJDKN-UHFFFAOYSA-N 0 0 196.200 2.965 10 0 AFAERN CCCCc1ccoc1 78036712 1188775180 /nfs/dbraw/zinc/77/51/80/1188775180.db2.gz SBTKGYVVXLMMQE-UHFFFAOYSA-N 0 0 124.183 2.622 10 0 AFAERN Cc1ncc(-c2ccncc2)s1 75838613 1188775227 /nfs/dbraw/zinc/77/52/27/1188775227.db2.gz CLRDUIZUNFUCQB-UHFFFAOYSA-N 0 0 176.244 2.514 10 0 AFAERN CC(C)c1ccc2ncn(C)c2c1 76208414 1188775545 /nfs/dbraw/zinc/77/55/45/1188775545.db2.gz YXAUHUXIZQMGCI-UHFFFAOYSA-N 0 0 174.247 2.697 10 0 AFAERN FC(F)(F)c1ncc2ccccc2n1 78504216 1188775858 /nfs/dbraw/zinc/77/58/58/1188775858.db2.gz WWSQPSBEFSUKKH-UHFFFAOYSA-N 0 0 198.147 2.649 10 0 AFAERN COc1ccc(C)cc1OC(C)C 78705976 1188775904 /nfs/dbraw/zinc/77/59/04/1188775904.db2.gz JHOVDDYHHYGLDW-UHFFFAOYSA-N 0 0 180.247 2.791 10 0 AFAERN FCC(F)(F)c1ccccc1 79836986 1188776126 /nfs/dbraw/zinc/77/61/26/1188776126.db2.gz VGJZYOUGUCGJNG-UHFFFAOYSA-N 0 0 160.138 2.748 10 0 AFAERN COc1ccc(-c2ccoc2)cc1 78740215 1188776147 /nfs/dbraw/zinc/77/61/47/1188776147.db2.gz HGSSTKBLPMJUDW-UHFFFAOYSA-N 0 0 174.199 2.955 10 0 AFAERN Cc1cc(N)ccc1Nc1ccccn1 82655823 1188776960 /nfs/dbraw/zinc/77/69/60/1188776960.db2.gz RCBNSEKMRSLPNQ-UHFFFAOYSA-N 0 0 199.257 2.716 10 0 AFAERN Cc1cccc(C=O)c1OCC1CC1 135861049 1188778477 /nfs/dbraw/zinc/77/84/77/1188778477.db2.gz YKECSHRSKIQGHP-UHFFFAOYSA-N 0 0 190.242 2.596 10 0 AFAERN CCCc1ccccc1NC(=O)OC 135966595 1188778952 /nfs/dbraw/zinc/77/89/52/1188778952.db2.gz UGYBZXMZJMCIBU-UHFFFAOYSA-N 0 0 193.246 2.817 10 0 AFAERN Oc1cccc(-c2ccncc2F)c1 157613358 1188779478 /nfs/dbraw/zinc/77/94/78/1188779478.db2.gz STWLOPMFJPJWLQ-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN CCc1cc(C)cc(Cl)c1N 146659135 1188779382 /nfs/dbraw/zinc/77/93/82/1188779382.db2.gz NITOUXKRJIMUKV-UHFFFAOYSA-N 0 0 169.655 2.793 10 0 AFAERN Oc1ccccc1-c1ccncc1F 157615557 1188779533 /nfs/dbraw/zinc/77/95/33/1188779533.db2.gz GHKDXNZFFZIBSB-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Oc1ccc(-c2ccncc2F)cc1 157613827 1188779678 /nfs/dbraw/zinc/77/96/78/1188779678.db2.gz KBZXBYGMPYYODA-UHFFFAOYSA-N 0 0 189.189 2.593 10 0 AFAERN Fc1ncccc1O[C@H]1C=CCCC1 167874292 1188781612 /nfs/dbraw/zinc/78/16/12/1188781612.db2.gz FANPNKDMKIWMNE-VIFPVBQESA-N 0 0 193.221 2.708 10 0 AFAERN Fc1ncccc1O[C@@H]1C=CCCC1 167874401 1188781671 /nfs/dbraw/zinc/78/16/71/1188781671.db2.gz FANPNKDMKIWMNE-SECBINFHSA-N 0 0 193.221 2.708 10 0 AFAERN CCCCc1ccc(O)cc1F 196203226 1188782865 /nfs/dbraw/zinc/78/28/65/1188782865.db2.gz PUIVKVZKOUJOHU-UHFFFAOYSA-N 0 0 168.211 2.874 10 0 AFAERN CCCCc1ncccc1F 196222526 1188782890 /nfs/dbraw/zinc/78/28/90/1188782890.db2.gz CIZJFUYSCRIRPO-UHFFFAOYSA-N 0 0 153.200 2.563 10 0 AFAERN CCCc1cccnc1CC 196248368 1188782897 /nfs/dbraw/zinc/78/28/97/1188782897.db2.gz JVTVQFRVXJQXKD-UHFFFAOYSA-N 0 0 149.237 2.597 10 0 AFAERN CCSCC=C(C)C 196223466 1188782958 /nfs/dbraw/zinc/78/29/58/1188782958.db2.gz KHRYUIXUVVDGIZ-UHFFFAOYSA-N 0 0 130.256 2.706 10 0 AFAERN CC[C@@H](OCCCO)c1ccccc1 196654858 1188783257 /nfs/dbraw/zinc/78/32/57/1188783257.db2.gz VKIATHIBTJQUJG-GFCCVEGCSA-N 0 0 194.274 2.537 10 0 AFAERN CC[C@H](C)C(=O)Oc1cccc(C)c1 199681584 1188783974 /nfs/dbraw/zinc/78/39/74/1188783974.db2.gz WOOOEVPQVDPCGP-JTQLQIEISA-N 0 0 192.258 2.947 10 0 AFAERN Cc1cc(Cl)ccc1-c1nnco1 203211377 1188784994 /nfs/dbraw/zinc/78/49/94/1188784994.db2.gz PXAQUWUIXCWURJ-UHFFFAOYSA-N 0 0 194.621 2.698 10 0 AFAERN CCOc1cc(C)cc(F)c1C 203204343 1188785090 /nfs/dbraw/zinc/78/50/90/1188785090.db2.gz BQKVTUPLSXDYFS-UHFFFAOYSA-N 0 0 168.211 2.841 10 0 AFAERN CCC(=O)Cc1cccc2[nH]ccc12 220651386 1188786811 /nfs/dbraw/zinc/78/68/11/1188786811.db2.gz VMCUROKYWWDAQJ-UHFFFAOYSA-N 0 0 187.242 2.690 10 0 AFAERN Cc1cc(-c2cc(F)ccn2)ccn1 227690286 1188788469 /nfs/dbraw/zinc/78/84/69/1188788469.db2.gz JYWVUNAGTFOIHZ-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Fc1ccnc(-c2ccsc2)c1 227689682 1188788576 /nfs/dbraw/zinc/78/85/76/1188788576.db2.gz JPRQSXOBGLADAU-UHFFFAOYSA-N 0 0 179.219 2.949 10 0 AFAERN CCOC(=O)CCc1ccsc1C 227850624 1188789007 /nfs/dbraw/zinc/78/90/07/1188789007.db2.gz NEEGFXPLTHIRRP-UHFFFAOYSA-N 0 0 198.287 2.552 10 0 AFAERN CC(C)[C@@H](C)Oc1ccnc(F)c1 227638836 1188789028 /nfs/dbraw/zinc/78/90/28/1188789028.db2.gz DOCRARFLIHMIHE-MRVPVSSYSA-N 0 0 183.226 2.644 10 0 AFAERN Cc1cnccc1-c1cc(F)ccn1 227689738 1188789142 /nfs/dbraw/zinc/78/91/42/1188789142.db2.gz XRXXZZPOTAXNKZ-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1sccc1-c1cccc(N)n1 227808754 1188789271 /nfs/dbraw/zinc/78/92/71/1188789271.db2.gz OQUXHVKOHHOIGS-UHFFFAOYSA-N 0 0 190.271 2.701 10 0 AFAERN Cc1cncc(-c2cc(F)ccn2)c1 227690078 1188789320 /nfs/dbraw/zinc/78/93/20/1188789320.db2.gz VBQQPWQVTYBZIF-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN Cc1ccc(-c2cc(F)ccn2)cn1 227689582 1188789414 /nfs/dbraw/zinc/78/94/14/1188789414.db2.gz UOYJMNLKVLCXNQ-UHFFFAOYSA-N 0 0 188.205 2.591 10 0 AFAERN CC(C)[C@H](C)Oc1ccnc(F)c1 227638841 1188789528 /nfs/dbraw/zinc/78/95/28/1188789528.db2.gz DOCRARFLIHMIHE-QMMMGPOBSA-N 0 0 183.226 2.644 10 0 AFAERN Nc1cccc(NCCC2CCC2)c1 229073737 1188790836 /nfs/dbraw/zinc/79/08/36/1188790836.db2.gz XBTHAUBQSFBTGC-UHFFFAOYSA-N 0 0 190.290 2.871 10 0 AFAERN Cc1ccc(N)c(-c2ccccc2O)c1 231167841 1188792601 /nfs/dbraw/zinc/79/26/01/1188792601.db2.gz HTYCHJDFRQWMSX-UHFFFAOYSA-N 0 0 199.253 2.950 10 0 AFAERN Cc1noc(N[C@@H](C)CCC(C)C)n1 232582335 1188793361 /nfs/dbraw/zinc/79/33/61/1188793361.db2.gz DRBGTXXRMPVPPI-QMMMGPOBSA-N 0 0 197.282 2.615 10 0 AFAERN CC(C)COC(=O)N1CCC[C@H](C)C1 243111491 1188793770 /nfs/dbraw/zinc/79/37/70/1188793770.db2.gz JEVXZKLORDPJMR-JTQLQIEISA-N 0 0 199.294 2.511 10 0 AFAERN CC[C@@H](C)COC(=O)N1CCCCC1 242909179 1188793783 /nfs/dbraw/zinc/79/37/83/1188793783.db2.gz 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